
------------------------------------------------------------------------
 Wannier coefficient for spin  1
------------------------------------------------------------------------

WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al(  1)  npairs=  13
              1 vec=     0.000000      0.000000      5.021445   |vec|=    5.021445
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00121409804793
                   +0 :               0.00000000000000
                   +1 :              -0.00427377257908
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00666802304349
                   +0 :              -0.00000000000000
                   +1 :               0.03570949538549
                4p
                   -1 :              -0.00254544091119
                   +0 :               0.00000000000000
                   +1 :              -0.00496221224109
                3d
                   -2 :               0.00775170413554
                   -1 :               0.00097686534313
                   +0 :               0.00000000000000
                   +1 :              -0.00045885081762
                   +2 :              -0.00152587414140
              2 vec=    -7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00076985839317
                2p
                   -1 :               0.00022217005390
                   +0 :               0.00017935103530
                   +1 :              -0.00010598861890
                3s
                   +0 :               0.00513938703400
                4s
                   +0 :              -0.00102171682747
                3p
                   -1 :              -0.00131776476996
                   +0 :              -0.00378123062656
                   +1 :              -0.00058429922373
                4p
                   -1 :               0.00035493582484
                   +0 :               0.00054641103824
                   +1 :              -0.00024684584671
                3d
                   -2 :               0.00033874419284
                   -1 :               0.00020417256402
                   +0 :               0.00131633037883
                   +1 :              -0.00003279915839
                   +2 :               0.00032070842079
              3 vec=    -7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00114279008722
                2p
                   -1 :              -0.00005529984233
                   +0 :               0.00015451477611
                   +1 :              -0.00007072144320
                3s
                   +0 :              -0.00501007537754
                4s
                   +0 :               0.00142353124909
                3p
                   -1 :               0.00071268091748
                   +0 :              -0.00166244138478
                   +1 :               0.00087866867806
                4p
                   -1 :              -0.00000659329687
                   +0 :               0.00050828960440
                   +1 :              -0.00021478098981
                3d
                   -2 :               0.00010959761769
                   -1 :               0.00042019465812
                   +0 :               0.00041799973576
                   +1 :              -0.00003849918731
                   +2 :              -0.00048829028467
              4 vec=     0.000000     -8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00045723577705
                2p
                   -1 :               0.00023578958692
                   +0 :              -0.00004629585190
                   +1 :               0.00014297266440
                3s
                   +0 :               0.00224302546643
                4s
                   +0 :              -0.00039387911857
                3p
                   -1 :              -0.00104258233531
                   +0 :               0.00063569604076
                   +1 :               0.00009712099656
                4p
                   -1 :               0.00035129482803
                   +0 :              -0.00010557039841
                   +1 :               0.00006512030533
                3d
                   -2 :              -0.00058860918446
                   -1 :              -0.00006333859221
                   +0 :              -0.00037113708218
                   +1 :               0.00047596233091
                   +2 :               0.00009993534982
              5 vec=     0.000000      8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00104937570443
                2p
                   -1 :               0.00001111085909
                   +0 :               0.00044645943387
                   +1 :              -0.00027840111126
                3s
                   +0 :              -0.00375517094083
                4s
                   +0 :               0.00026910156491
                3p
                   -1 :               0.00060616852016
                   +0 :              -0.00242958921363
                   +1 :               0.00075743450146
                4p
                   -1 :              -0.00078530633775
                   +0 :               0.00031305606964
                   +1 :              -0.00031336568584
                3d
                   -2 :              -0.00068911825355
                   -1 :              -0.00017873823013
                   +0 :               0.00003374414259
                   +1 :               0.00099664831520
                   +2 :              -0.00049749010892
              6 vec=     7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00027951731126
                2p
                   -1 :              -0.00003267314182
                   +0 :              -0.00062581046917
                   +1 :              -0.00000941224067
                3s
                   +0 :              -0.00138421609317
                4s
                   +0 :               0.00075261526256
                3p
                   -1 :               0.00080617736623
                   +0 :               0.00621081984020
                   +1 :              -0.00157960746556
                4p
                   -1 :              -0.00027279312700
                   +0 :              -0.00085946710788
                   +1 :               0.00070737291299
                3d
                   -2 :               0.00053339368171
                   -1 :               0.00090424483094
                   +0 :              -0.00135007452142
                   +1 :               0.00081353505352
                   +2 :              -0.00097854583423
              7 vec=     7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00068555431017
                2p
                   -1 :              -0.00009481965353
                   +0 :              -0.00010821892421
                   +1 :               0.00028821645111
                3s
                   +0 :               0.00276704991112
                4s
                   +0 :              -0.00102965213052
                3p
                   -1 :               0.00051188943753
                   +0 :               0.00102674534402
                   +1 :              -0.00103220772994
                4p
                   -1 :              -0.00007005086656
                   +0 :              -0.00040271920599
                   +1 :               0.00023510986564
                3d
                   -2 :               0.00026991255925
                   -1 :              -0.00026710871109
                   +0 :              -0.00004686265357
                   +1 :              -0.00020002050656
                   +2 :               0.00041048736034
              8 vec=   -15.560325     -0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00005884303438
                2p
                   -1 :               0.00000237579995
                   +0 :               0.00000721397312
                   +1 :               0.00001453843792
                3s
                   +0 :               0.00066712230954
                4s
                   +0 :              -0.00001386206580
                3p
                   -1 :               0.00016053016460
                   +0 :               0.00006333980855
                   +1 :              -0.00020011302133
                4p
                   -1 :               0.00000712481025
                   +0 :               0.00004906918626
                   +1 :               0.00001109867367
                3d
                   -2 :               0.00003586155375
                   -1 :               0.00006848611205
                   +0 :               0.00011091484649
                   +1 :              -0.00009190315949
                   +2 :               0.00003376071026
              9 vec=    -7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00009302174453
                2p
                   -1 :               0.00000516903163
                   +0 :               0.00002632041120
                   +1 :               0.00000623619616
                3s
                   +0 :               0.00082776482372
                4s
                   +0 :              -0.00014366308589
                3p
                   -1 :              -0.00021486241660
                   +0 :               0.00004499181808
                   +1 :               0.00007407539024
                4p
                   -1 :               0.00002531082610
                   +0 :               0.00003159191703
                   +1 :               0.00001134595041
                3d
                   -2 :              -0.00004670170806
                   -1 :              -0.00003602986696
                   +0 :              -0.00000800446158
                   +1 :              -0.00000441839254
                   +2 :              -0.00007480492468
             10 vec=    -7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00014409705471
                2p
                   -1 :               0.00004021625396
                   +0 :              -0.00002339757330
                   +1 :              -0.00000980415895
                3s
                   +0 :              -0.00052899770236
                4s
                   +0 :               0.00018015521198
                3p
                   -1 :              -0.00016246107223
                   +0 :              -0.00009080316938
                   +1 :               0.00014659435646
                4p
                   -1 :               0.00005711104277
                   +0 :               0.00001426084740
                   +1 :              -0.00004252658213
                3d
                   -2 :               0.00003946068060
                   -1 :              -0.00002219372386
                   +0 :               0.00011416578612
                   +1 :              -0.00002232913755
                   +2 :              -0.00010938239782
             11 vec=     7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00002665827348
                2p
                   -1 :              -0.00001207822179
                   +0 :              -0.00002620638116
                   +1 :              -0.00004618591008
                3s
                   +0 :              -0.00045944190442
                4s
                   +0 :              -0.00004283944714
                3p
                   -1 :               0.00021215452445
                   +0 :              -0.00003285737211
                   +1 :               0.00038911936200
                4p
                   -1 :               0.00002436718914
                   +0 :              -0.00007705967063
                   +1 :              -0.00005769134418
                3d
                   -2 :              -0.00000717214248
                   -1 :               0.00004207912938
                   +0 :              -0.00004014967454
                   +1 :               0.00000873391329
                   +2 :               0.00004948030067
             12 vec=     7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00003218476090
                2p
                   -1 :               0.00004773761708
                   +0 :               0.00001899240804
                   +1 :              -0.00002834128610
                3s
                   +0 :              -0.00020768040512
                4s
                   +0 :               0.00005670151293
                3p
                   -1 :              -0.00032394786817
                   +0 :              -0.00003048243644
                   +1 :               0.00013921117742
                4p
                   -1 :               0.00007531990268
                   +0 :               0.00002799048437
                   +1 :              -0.00000836399711
                3d
                   -2 :               0.00002795827027
                   -1 :              -0.00003187164088
                   +0 :              -0.00007076517195
                   +1 :              -0.00006445374093
                   +2 :               0.00007888877962
             13 vec=    15.560325      0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00005107531018
                2p
                   -1 :               0.00000880128778
                   +0 :              -0.00000292283791
                   +1 :              -0.00003213576627
                3s
                   +0 :              -0.00029876712135
                4s
                   +0 :              -0.00003649212609
                3p
                   -1 :              -0.00012585847740
                   +0 :               0.00004581135131
                   +1 :               0.00006495397793
                4p
                   -1 :              -0.00000544404731
                   +0 :              -0.00004585276443
                   +1 :              -0.00004313011135
                3d
                   -2 :               0.00002632445641
                   -1 :              -0.00004462295559
                   +0 :              -0.00010616132453
                   +1 :              -0.00002535621647
                   +2 :              -0.00001747484382
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al(  2)  npairs=  14
              1 vec=     0.000000      0.000000    -12.273771   |vec|=   12.273771
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00015185284912
                   +0 :              -0.00000000000000
                   +1 :              -0.00005688639004
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00010628318719
                   +0 :               0.00000000000000
                   +1 :              -0.00114552727305
                4p
                   -1 :               0.00021492485504
                   +0 :               0.00000000000000
                   +1 :              -0.00001553351456
                3d
                   -2 :               0.00040762638983
                   -1 :               0.00007423150782
                   +0 :              -0.00000000000000
                   +1 :               0.00045367762883
                   +2 :              -0.00026793554100
              2 vec=     0.000000      0.000000     12.273771   |vec|=   12.273771
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00002448466444
                   +0 :              -0.00000000000000
                   +1 :               0.00017699460887
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00013696122394
                   +0 :               0.00000000000000
                   +1 :              -0.00024363168036
                4p
                   -1 :               0.00020139361492
                   +0 :              -0.00000000000000
                   +1 :               0.00011256287829
                3d
                   -2 :              -0.00008310045664
                   -1 :               0.00026863761026
                   +0 :               0.00000000000000
                   +1 :               0.00032355783884
                   +2 :               0.00006572952497
              3 vec=    -7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00054283789379
                2p
                   -1 :              -0.00004323549929
                   +0 :              -0.00014880304225
                   +1 :              -0.00015937620513
                3s
                   +0 :              -0.00227784759244
                4s
                   +0 :               0.00053066272339
                3p
                   -1 :               0.00025039043600
                   +0 :               0.00065669704047
                   +1 :               0.00066036279534
                4p
                   -1 :              -0.00003230830972
                   +0 :              -0.00017023870596
                   +1 :              -0.00008270916429
                3d
                   -2 :              -0.00005377711658
                   -1 :               0.00000513798579
                   +0 :              -0.00007192721655
                   +1 :              -0.00019790876000
                   +2 :              -0.00017639113147
              4 vec=    -7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00046413200529
                2p
                   -1 :               0.00005272239649
                   +0 :              -0.00016154571984
                   +1 :               0.00004608774975
                3s
                   +0 :               0.00254283832309
                4s
                   +0 :              -0.00069907371128
                3p
                   -1 :              -0.00032346055997
                   +0 :               0.00189794746735
                   +1 :              -0.00034903484267
                4p
                   -1 :              -0.00002599057282
                   +0 :              -0.00054531833464
                   +1 :               0.00007187229504
                3d
                   -2 :               0.00003525167474
                   -1 :              -0.00015155171403
                   +0 :               0.00041135702639
                   +1 :              -0.00004429314195
                   +2 :              -0.00006824112599
              5 vec=    -7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00056820869691
                2p
                   -1 :               0.00010646036909
                   +0 :              -0.00009299421181
                   +1 :              -0.00015516914128
                3s
                   +0 :              -0.00350776964294
                4s
                   +0 :               0.00082246339988
                3p
                   -1 :              -0.00097026854735
                   +0 :               0.00032543022355
                   +1 :               0.00077717940357
                4p
                   -1 :               0.00012208953905
                   +0 :              -0.00014145258299
                   +1 :              -0.00020018177427
                3d
                   -2 :              -0.00020531738048
                   -1 :               0.00009191293698
                   +0 :               0.00039814683847
                   +1 :               0.00008168329580
                   +2 :               0.00030916766316
              6 vec=    -7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00003626676111
                2p
                   -1 :              -0.00003253043477
                   +0 :               0.00006241140183
                   +1 :              -0.00008852130866
                3s
                   +0 :               0.00164909398319
                4s
                   +0 :              -0.00002931988180
                3p
                   -1 :               0.00063625260840
                   +0 :              -0.00012170517429
                   +1 :              -0.00051655823299
                4p
                   -1 :              -0.00002632148603
                   +0 :              -0.00002362122334
                   +1 :              -0.00009106703191
                3d
                   -2 :              -0.00021801513539
                   -1 :              -0.00004245278049
                   +0 :              -0.00019175839769
                   +1 :               0.00012385803734
                   +2 :               0.00009341583833
              7 vec=     0.000000     -8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00001485771205
                2p
                   -1 :               0.00001966467218
                   +0 :              -0.00002907678014
                   +1 :               0.00000928725790
                3s
                   +0 :               0.00053242044131
                4s
                   +0 :              -0.00010556734856
                3p
                   -1 :              -0.00009455919129
                   +0 :               0.00012351885743
                   +1 :               0.00031544327113
                4p
                   -1 :              -0.00001247802987
                   +0 :              -0.00000762552550
                   +1 :              -0.00001138077167
                3d
                   -2 :               0.00002610838242
                   -1 :              -0.00001952514479
                   +0 :              -0.00006246479204
                   +1 :              -0.00000552126003
                   +2 :               0.00006571855265
              8 vec=     0.000000     -8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00015331293800
                2p
                   -1 :              -0.00007651525573
                   +0 :               0.00001456295913
                   +1 :               0.00005652246471
                3s
                   +0 :              -0.00108356229298
                4s
                   +0 :               0.00005164546288
                3p
                   -1 :               0.00086133406084
                   +0 :              -0.00010236241363
                   +1 :              -0.00010833191222
                4p
                   -1 :              -0.00005958847263
                   +0 :               0.00003754306237
                   +1 :               0.00020281120167
                3d
                   -2 :              -0.00014253523050
                   -1 :               0.00006762244940
                   +0 :               0.00007943492292
                   +1 :               0.00003090213568
                   +2 :               0.00036037667794
              9 vec=     0.000000      8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00001177147586
                2p
                   -1 :               0.00001420337106
                   +0 :               0.00001869613505
                   +1 :               0.00001980434969
                3s
                   +0 :              -0.00024007057822
                4s
                   +0 :              -0.00000877741888
                3p
                   -1 :              -0.00013219554888
                   +0 :               0.00004884504960
                   +1 :              -0.00028767025657
                4p
                   -1 :               0.00005675273276
                   +0 :               0.00003511985361
                   +1 :               0.00005450607915
                3d
                   -2 :               0.00003716763819
                   -1 :              -0.00003726677431
                   +0 :               0.00003617120291
                   +1 :              -0.00004247862545
                   +2 :               0.00004749168053
             10 vec=     0.000000      8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00012366569358
                2p
                   -1 :               0.00001077550436
                   +0 :              -0.00000444398286
                   +1 :              -0.00007941126867
                3s
                   +0 :              -0.00011356440102
                4s
                   +0 :               0.00002482368182
                3p
                   -1 :               0.00010324581540
                   +0 :               0.00016523134513
                   +1 :               0.00053743575633
                4p
                   -1 :              -0.00001379330781
                   +0 :              -0.00005654144793
                   +1 :              -0.00012511059588
                3d
                   -2 :              -0.00005101641633
                   -1 :               0.00007746508367
                   +0 :               0.00006672728367
                   +1 :               0.00014202279371
                   +2 :              -0.00011598997381
             11 vec=     7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00055460936965
                2p
                   -1 :               0.00014065884823
                   +0 :               0.00013010690720
                   +1 :              -0.00011952944861
                3s
                   +0 :               0.00251791817066
                4s
                   +0 :              -0.00052188530451
                3p
                   -1 :              -0.00076192326302
                   +0 :              -0.00070554209007
                   +1 :               0.00051767545142
                4p
                   -1 :               0.00013105409813
                   +0 :               0.00013511885235
                   +1 :              -0.00009123066785
                3d
                   -2 :              -0.00020219294186
                   -1 :               0.00011854205078
                   +0 :               0.00003575601364
                   +1 :              -0.00008347009324
                   +2 :               0.00001431074251
             12 vec=     7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00034046631171
                2p
                   -1 :              -0.00007693638768
                   +0 :               0.00016598970270
                   +1 :               0.00001966531474
                3s
                   +0 :              -0.00242927392207
                4s
                   +0 :               0.00067425002946
                3p
                   -1 :               0.00065759868615
                   +0 :              -0.00206317881248
                   +1 :              -0.00027533810419
                4p
                   -1 :              -0.00019048412796
                   +0 :               0.00060185978257
                   +1 :              -0.00003718229178
                3d
                   -2 :               0.00003346934442
                   -1 :               0.00012431101823
                   +0 :              -0.00047808431006
                   +1 :              -0.00014946953882
                   +2 :              -0.00016682590830
             13 vec=     7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00055335098485
                2p
                   -1 :              -0.00007936089887
                   +0 :               0.00012207099195
                   +1 :              -0.00014810822015
                3s
                   +0 :               0.00297534920164
                4s
                   +0 :              -0.00071689605131
                3p
                   -1 :              -0.00013253864878
                   +0 :              -0.00044894908098
                   +1 :               0.00130469788602
                4p
                   -1 :              -0.00010870070993
                   +0 :               0.00014907810849
                   +1 :              -0.00022232020617
                3d
                   -2 :              -0.00030043761326
                   -1 :               0.00011171525677
                   +0 :              -0.00033568204643
                   +1 :              -0.00005842719188
                   +2 :              -0.00001297748185
             14 vec=     7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00011704617689
                2p
                   -1 :              -0.00018013443765
                   +0 :              -0.00007697436096
                   +1 :              -0.00005409139430
                3s
                   +0 :              -0.00056553169022
                4s
                   +0 :              -0.00002232558108
                3p
                   -1 :               0.00039525897033
                   +0 :               0.00022406758792
                   +1 :              -0.00011751881687
                4p
                   -1 :              -0.00029746099524
                   +0 :              -0.00001392183903
                   +1 :               0.00002706202938
                3d
                   -2 :               0.00005091968598
                   -1 :               0.00009308700673
                   +0 :               0.00011232347477
                   +1 :               0.00017270803192
                   +2 :               0.00016152874302
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Cr(  3)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00571830212668
                   +0 :               0.00000000000000
                   +1 :              -0.00998368820706
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :               1.00101664692963
                   -1 :               0.00461166974306
                   +0 :              -0.00000000000000
                   +1 :              -0.02357810390737
                   +2 :               0.00147265939103
                4d
                   -2 :               0.02446000716452
                   -1 :               0.00091224777198
                   +0 :              -0.00000000000000
                   +1 :              -0.00790802642212
                   +2 :              -0.00142284048441
                4p
                   -1 :              -0.00268613562837
                   +0 :              -0.00000000000000
                   +1 :              -0.02436648859448
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00219153750881
                3p
                   -1 :              -0.00139443172054
                   +0 :               0.00143774963096
                   +1 :              -0.00098955446006
                4s
                   +0 :              -0.00528236744834
                5s
                   +0 :               0.00016056086558
                3d
                   -2 :               0.00281233044041
                   -1 :              -0.00195634062029
                   +0 :              -0.00144739841936
                   +1 :               0.00094396512166
                   +2 :              -0.00066726552458
                4d
                   -2 :              -0.00110752017932
                   -1 :               0.00113481983175
                   +0 :               0.00004172737942
                   +1 :               0.00177241529101
                   +2 :              -0.00031243226529
                4p
                   -1 :               0.00130817875386
                   +0 :              -0.00314019747578
                   +1 :               0.00207325107317
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00003278269341
                3p
                   -1 :              -0.00003683436902
                   +0 :              -0.00012234346037
                   +1 :              -0.00041918293967
                4s
                   +0 :               0.00342923240681
                5s
                   +0 :              -0.00047574232362
                3d
                   -2 :               0.00068043199849
                   -1 :               0.00035931992601
                   +0 :              -0.00073435100243
                   +1 :              -0.00113818578610
                   +2 :               0.00065723236784
                4d
                   -2 :              -0.00074483028344
                   -1 :               0.00116349811164
                   +0 :               0.00010214852470
                   +1 :              -0.00101161574072
                   +2 :              -0.00014613647870
                4p
                   -1 :               0.00020454606418
                   +0 :               0.00266284803494
                   +1 :              -0.00090178276733
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00041319889326
                3p
                   -1 :               0.00068752297551
                   +0 :               0.00073135908639
                   +1 :               0.00129008702623
                4s
                   +0 :              -0.00204823015180
                5s
                   +0 :               0.00058199848243
                3d
                   -2 :               0.00103101410496
                   -1 :               0.00082087489341
                   +0 :               0.00021925889450
                   +1 :               0.00090028093740
                   +2 :               0.00088920240554
                4d
                   -2 :               0.00029172045044
                   -1 :               0.00027760724836
                   +0 :              -0.00011529232520
                   +1 :               0.00063820813593
                   +2 :               0.00062887463775
                4p
                   -1 :               0.00010018973324
                   +0 :              -0.00162007931699
                   +1 :              -0.00097554634481
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00188624410533
                3p
                   -1 :               0.00142790696287
                   +0 :               0.00048140154026
                   +1 :               0.00020880252645
                4s
                   +0 :              -0.00288632064501
                5s
                   +0 :              -0.00019967861223
                3d
                   -2 :               0.00131488472891
                   -1 :               0.00085162174975
                   +0 :              -0.00062229451472
                   +1 :               0.00209722780079
                   +2 :              -0.00072852039639
                4d
                   -2 :               0.00003042013969
                   -1 :              -0.00099348546892
                   +0 :              -0.00011861415207
                   +1 :              -0.00036728426752
                   +2 :               0.00072853438891
                4p
                   -1 :              -0.00192085436740
                   +0 :              -0.00116194216943
                   +1 :               0.00011400921517
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00407778161413
                3p
                   -1 :               0.00105454521429
                   +0 :              -0.00191915117123
                   +1 :              -0.00283459296472
                4s
                   +0 :               0.00816868809335
                5s
                   +0 :               0.00003911774665
                3d
                   -2 :               0.00211665585975
                   -1 :               0.00044639534210
                   +0 :               0.00206969293408
                   +1 :              -0.00091117028411
                   +2 :              -0.00199471898744
                4d
                   -2 :              -0.00144005358684
                   -1 :              -0.00178236699274
                   +0 :               0.00007688677264
                   +1 :               0.00254573196913
                   +2 :               0.00119353628606
                4p
                   -1 :              -0.00200309102795
                   +0 :               0.00430213964521
                   +1 :               0.00389005485684
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00038041619985
                3p
                   -1 :              -0.00115492690916
                   +0 :              -0.00060901562602
                   +1 :               0.00106276390506
                4s
                   +0 :              -0.00138100225502
                5s
                   +0 :              -0.00010625615881
                3d
                   -2 :               0.00105661499729
                   -1 :              -0.00117526655762
                   +0 :               0.00051509210793
                   +1 :               0.00028076590266
                   +2 :               0.00046960437638
                4d
                   -2 :               0.00044462439857
                   -1 :              -0.00070823670895
                   +0 :               0.00001314380050
                   +1 :              -0.00095390779497
                   +2 :              -0.00065631018833
                4p
                   -1 :               0.00021624903068
                   +0 :              -0.00104276871795
                   +1 :              -0.00102903978971
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00006414891060
                3p
                   -1 :              -0.00015549153965
                   +0 :               0.00013140969761
                   +1 :              -0.00004800695673
                4s
                   +0 :               0.00047298337326
                5s
                   +0 :              -0.00000901112999
                3d
                   -2 :               0.00061767832706
                   -1 :              -0.00030580852450
                   +0 :              -0.00001135229673
                   +1 :              -0.00063565876171
                   +2 :              -0.00003871803713
                4d
                   -2 :               0.00010608534697
                   -1 :               0.00002299626509
                   +0 :               0.00003945805224
                   +1 :              -0.00022962490750
                   +2 :              -0.00001543444055
                4p
                   -1 :              -0.00025523591117
                   +0 :               0.00048065513353
                   +1 :              -0.00019401935812
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00007118410838
                3p
                   -1 :              -0.00005357442498
                   +0 :               0.00009810508201
                   +1 :              -0.00007666924993
                4s
                   +0 :              -0.00012599380787
                5s
                   +0 :               0.00004789559183
                3d
                   -2 :              -0.00007558713690
                   -1 :              -0.00023916662989
                   +0 :               0.00003721554005
                   +1 :              -0.00024657907726
                   +2 :               0.00037334178267
                4d
                   -2 :              -0.00012694253828
                   -1 :               0.00003306589381
                   +0 :               0.00003150844870
                   +1 :              -0.00007678768389
                   +2 :               0.00008586892004
                4p
                   -1 :               0.00020967250462
                   +0 :               0.00015696669682
                   +1 :              -0.00012168318370
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00004180234966
                3p
                   -1 :              -0.00001646868763
                   +0 :              -0.00003167006567
                   +1 :               0.00006591336432
                4s
                   +0 :               0.00063505204555
                5s
                   +0 :              -0.00006581464504
                3d
                   -2 :               0.00033639480895
                   -1 :               0.00022082367552
                   +0 :              -0.00011136634802
                   +1 :               0.00005335132314
                   +2 :              -0.00018153560939
                4d
                   -2 :              -0.00008368202159
                   -1 :               0.00014806345870
                   +0 :              -0.00001650186078
                   +1 :              -0.00005728039862
                   +2 :              -0.00013844041775
                4p
                   -1 :               0.00034785608175
                   +0 :               0.00043111996398
                   +1 :               0.00015322323386
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00009446606703
                3p
                   -1 :              -0.00000460188678
                   +0 :              -0.00016894895005
                   +1 :              -0.00023888589421
                4s
                   +0 :              -0.00033577528211
                5s
                   +0 :              -0.00002547295361
                3d
                   -2 :               0.00015542173712
                   -1 :               0.00042709013122
                   +0 :              -0.00002072430396
                   +1 :              -0.00058048303873
                   +2 :              -0.00064765171414
                4d
                   -2 :              -0.00001037213465
                   -1 :               0.00013217994286
                   +0 :              -0.00009837553901
                   +1 :              -0.00004063620016
                   +2 :              -0.00003120778541
                4p
                   -1 :               0.00003999029705
                   +0 :              -0.00030902152287
                   +1 :              -0.00010161109482
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00003031715643
                3p
                   -1 :               0.00008525929569
                   +0 :               0.00003753925244
                   +1 :              -0.00001277215291
                4s
                   +0 :              -0.00013720809115
                5s
                   +0 :               0.00003448408360
                3d
                   -2 :              -0.00014080200143
                   -1 :               0.00001285722559
                   +0 :               0.00003207660069
                   +1 :               0.00002663795404
                   +2 :               0.00005714107431
                4d
                   -2 :               0.00003419648880
                   -1 :              -0.00008608091761
                   +0 :               0.00005891748677
                   +1 :              -0.00004057471521
                   +2 :               0.00007753402457
                4p
                   -1 :              -0.00018765071060
                   +0 :              -0.00017163361067
                   +1 :               0.00010785816970
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00002938175872
                3p
                   -1 :               0.00008845860977
                   +0 :              -0.00006643501634
                   +1 :              -0.00003751245398
                4s
                   +0 :              -0.00050905823768
                5s
                   +0 :               0.00001791905321
                3d
                   -2 :               0.00061094175354
                   -1 :               0.00025057586893
                   +0 :               0.00007415080797
                   +1 :              -0.00049497716703
                   +2 :               0.00045268991764
                4d
                   -2 :               0.00008894530489
                   -1 :               0.00010745848085
                   +0 :              -0.00001500658792
                   +1 :              -0.00016662485382
                   +2 :               0.00001117895757
                4p
                   -1 :               0.00051684023445
                   +0 :              -0.00058808666080
                   +1 :              -0.00010390046310
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00001168902392
                3p
                   -1 :              -0.00000305256821
                   +0 :               0.00000875333771
                   +1 :               0.00001092139730
                4s
                   +0 :              -0.00005113909105
                5s
                   +0 :               0.00001498685146
                3d
                   -2 :               0.00000352563684
                   -1 :              -0.00001584965349
                   +0 :              -0.00004951130300
                   +1 :              -0.00008642410787
                   +2 :               0.00015234596564
                4d
                   -2 :               0.00003334625074
                   -1 :              -0.00002363324573
                   +0 :              -0.00000630888994
                   +1 :              -0.00002720144851
                   +2 :               0.00001467869354
                4p
                   -1 :               0.00001135825837
                   +0 :               0.00007454311646
                   +1 :              -0.00007334262042
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00006815647956
                3p
                   -1 :              -0.00001333563387
                   +0 :               0.00004627007230
                   +1 :              -0.00002753915379
                4s
                   +0 :               0.00049532672181
                5s
                   +0 :              -0.00000963928971
                3d
                   -2 :               0.00017970938448
                   -1 :               0.00006725204004
                   +0 :              -0.00001334812922
                   +1 :              -0.00014427117535
                   +2 :              -0.00003295539721
                4d
                   -2 :              -0.00002033543135
                   -1 :               0.00002007624597
                   +0 :               0.00000944389864
                   +1 :               0.00000963661628
                   +2 :              -0.00004152514839
                4p
                   -1 :               0.00008424514233
                   +0 :               0.00009173429622
                   +1 :              -0.00003728505333
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00004842853024
                3p
                   -1 :              -0.00000675581761
                   +0 :              -0.00000348855757
                   +1 :              -0.00000133850062
                4s
                   +0 :               0.00006022428711
                5s
                   +0 :              -0.00002834951732
                3d
                   -2 :              -0.00010199950989
                   -1 :              -0.00004129271178
                   +0 :              -0.00000623723669
                   +1 :               0.00012851860942
                   +2 :              -0.00007913108097
                4d
                   -2 :              -0.00000399009996
                   -1 :               0.00001079378445
                   +0 :              -0.00000266107781
                   +1 :               0.00003096513373
                   +2 :              -0.00000155443821
                4p
                   -1 :              -0.00000186329562
                   +0 :              -0.00000155250842
                   +1 :               0.00007248140659
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00008530589350
                3p
                   -1 :               0.00006741064763
                   +0 :               0.00002940122828
                   +1 :              -0.00001459573324
                4s
                   +0 :              -0.00001681960788
                5s
                   +0 :              -0.00000739857459
                3d
                   -2 :              -0.00013666234013
                   -1 :               0.00014777352402
                   +0 :               0.00003623287081
                   +1 :              -0.00005640405657
                   +2 :              -0.00010774863551
                4d
                   -2 :              -0.00000000993229
                   -1 :              -0.00002468805008
                   +0 :               0.00001487953186
                   +1 :              -0.00000195350675
                   +2 :               0.00002232608401
                4p
                   -1 :              -0.00004559562990
                   +0 :              -0.00000012058953
                   +1 :              -0.00000140537927
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00009699491741
                3p
                   -1 :               0.00001008055643
                   +0 :              -0.00003815456599
                   +1 :              -0.00006286010292
                4s
                   +0 :               0.00006795869893
                5s
                   +0 :              -0.00000758827687
                3d
                   -2 :               0.00015868018033
                   -1 :               0.00009196006231
                   +0 :               0.00001327843219
                   +1 :              -0.00021311591059
                   +2 :              -0.00009910768429
                4d
                   -2 :               0.00001004532480
                   -1 :              -0.00000229528895
                   +0 :              -0.00000857064192
                   +1 :              -0.00001366399027
                   +2 :              -0.00001038491311
                4p
                   -1 :               0.00004518079255
                   +0 :              -0.00007442252693
                   +1 :               0.00001194951424
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00011658500980
                3p
                   -1 :              -0.00003273615698
                   +0 :              -0.00004278151472
                   +1 :              -0.00000874053917
                4s
                   +0 :              -0.00055555100893
                5s
                   +0 :               0.00003798880703
                3d
                   -2 :              -0.00000113437788
                   -1 :              -0.00022326321938
                   +0 :               0.00001958536591
                   +1 :              -0.00010187879549
                   +2 :               0.00018792381990
                4d
                   -2 :               0.00002245288477
                   -1 :              -0.00000303602272
                   +0 :              -0.00000678282082
                   +1 :               0.00001226202752
                   +2 :              -0.00003569526552
                4p
                   -1 :              -0.00005386961942
                   +0 :              -0.00009018178780
                   +1 :              -0.00005697391811
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al(  4)  npairs=  14
              1 vec=     0.000000      0.000000     -7.252326   |vec|=    7.252326
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00065243730277
                   +0 :              -0.00000000000000
                   +1 :               0.00096708411050
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00188490537053
                   +0 :              -0.00000000000000
                   +1 :              -0.00804665978876
                4p
                   -1 :               0.00079396622142
                   +0 :               0.00000000000000
                   +1 :               0.00150669598278
                3d
                   -2 :               0.00007782430837
                   -1 :               0.00024447459752
                   +0 :              -0.00000000000000
                   +1 :               0.00128364553066
                   +2 :               0.00120405053524
              2 vec=    -7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00035999922486
                2p
                   -1 :               0.00022991464337
                   +0 :              -0.00003366508333
                   +1 :              -0.00013926903398
                3s
                   +0 :              -0.00018137131798
                4s
                   +0 :               0.00015753578595
                3p
                   -1 :              -0.00043497870180
                   +0 :               0.00040642429813
                   +1 :               0.00060357623534
                4p
                   -1 :               0.00003247223066
                   +0 :              -0.00012127480314
                   +1 :              -0.00047872960451
                3d
                   -2 :               0.00017100603775
                   -1 :               0.00039534558993
                   +0 :               0.00005391728409
                   +1 :              -0.00021244269465
                   +2 :              -0.00020361078881
              3 vec=    -7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00087130534337
                2p
                   -1 :               0.00021415153340
                   +0 :               0.00010663948054
                   +1 :               0.00038355344635
                3s
                   +0 :              -0.01595072716314
                4s
                   +0 :               0.00084765761052
                3p
                   -1 :              -0.00688091576167
                   +0 :               0.00099417818879
                   +1 :               0.00573384647876
                4p
                   -1 :               0.00033000722380
                   +0 :              -0.00055855525753
                   +1 :               0.00042024688336
                3d
                   -2 :               0.00265031887528
                   -1 :               0.00027932202466
                   +0 :               0.00185498085505
                   +1 :               0.00033690043492
                   +2 :              -0.00022116624124
              4 vec=     0.000000     -8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00016660497688
                2p
                   -1 :               0.00004864746072
                   +0 :              -0.00000404890142
                   +1 :               0.00023895203444
                3s
                   +0 :               0.00411056749595
                4s
                   +0 :               0.00001443867628
                3p
                   -1 :              -0.00338227936913
                   +0 :              -0.00053543820745
                   +1 :              -0.00014069208642
                4p
                   -1 :              -0.00000129724692
                   +0 :               0.00024021995887
                   +1 :               0.00035329700547
                3d
                   -2 :              -0.00067320574796
                   -1 :               0.00010748614894
                   +0 :              -0.00046442887117
                   +1 :              -0.00036546354443
                   +2 :              -0.00100877105855
              5 vec=     0.000000      8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00016868510981
                2p
                   -1 :              -0.00004275112386
                   +0 :              -0.00010936600122
                   +1 :               0.00013089812340
                3s
                   +0 :              -0.00087640032475
                4s
                   +0 :               0.00024342400163
                3p
                   -1 :               0.00041597427379
                   +0 :               0.00000289437035
                   +1 :              -0.00103135478376
                4p
                   -1 :              -0.00009633646064
                   +0 :              -0.00009835262385
                   +1 :               0.00004213561713
                3d
                   -2 :               0.00003989786119
                   -1 :              -0.00020320984127
                   +0 :               0.00032102370481
                   +1 :               0.00010989744230
                   +2 :              -0.00029053120833
              6 vec=     7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00019131411505
                2p
                   -1 :               0.00032755338131
                   +0 :               0.00014303108455
                   +1 :               0.00023195002588
                3s
                   +0 :               0.00105777164273
                4s
                   +0 :              -0.00040095978757
                3p
                   -1 :              -0.00142539400999
                   +0 :              -0.00040931866848
                   +1 :              -0.00095083616849
                4p
                   -1 :               0.00041915039890
                   +0 :               0.00021962742700
                   +1 :              -0.00010674539480
                3d
                   -2 :               0.00018072724088
                   -1 :               0.00037522262159
                   +0 :              -0.00037494098890
                   +1 :               0.00046709158281
                   +2 :              -0.00036061401012
              7 vec=     7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00070470036649
                2p
                   -1 :               0.00025662799319
                   +0 :              -0.00010259057912
                   +1 :               0.00016792200903
                3s
                   +0 :               0.01184015966720
                4s
                   +0 :              -0.00086209628680
                3p
                   -1 :              -0.00004409793245
                   +0 :              -0.00045873998134
                   +1 :               0.00582648519071
                4p
                   -1 :               0.00022233528348
                   +0 :               0.00031833529866
                   +1 :               0.00009985385639
                3d
                   -2 :               0.00030647078373
                   -1 :               0.00080166913561
                   +0 :              -0.00139055198388
                   +1 :              -0.00016309578841
                   +2 :               0.00226328810393
              8 vec=   -15.560325     -0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00017045836648
                2p
                   -1 :              -0.00001636823018
                   +0 :              -0.00000460977369
                   +1 :              -0.00002229897442
                3s
                   +0 :              -0.00135096781220
                4s
                   +0 :               0.00022784184402
                3p
                   -1 :               0.00027611667386
                   +0 :               0.00002298082050
                   +1 :               0.00019160794981
                4p
                   -1 :              -0.00000843909701
                   +0 :              -0.00005372481370
                   +1 :              -0.00002282418517
                3d
                   -2 :              -0.00003880284747
                   -1 :               0.00010428086673
                   +0 :              -0.00011493389173
                   +1 :               0.00000687464109
                   +2 :               0.00000281910034
              9 vec=    -7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00004141125109
                2p
                   -1 :               0.00004395186895
                   +0 :              -0.00002861995226
                   +1 :               0.00006338524764
                3s
                   +0 :               0.00032385307654
                4s
                   +0 :              -0.00012229985547
                3p
                   -1 :              -0.00023184636742
                   +0 :               0.00028979471506
                   +1 :              -0.00046050770593
                4p
                   -1 :               0.00007873345909
                   +0 :              -0.00005599790111
                   +1 :               0.00011701011029
                3d
                   -2 :               0.00007103819562
                   -1 :              -0.00004407827170
                   +0 :              -0.00005563752863
                   +1 :               0.00001508631327
                   +2 :              -0.00000147660627
             10 vec=    -7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00023377753761
                2p
                   -1 :              -0.00000852681751
                   +0 :              -0.00004128140648
                   +1 :              -0.00002362656096
                3s
                   +0 :              -0.00167505867495
                4s
                   +0 :               0.00027378428392
                3p
                   -1 :              -0.00012018071154
                   +0 :               0.00030559878093
                   +1 :               0.00022077358252
                4p
                   -1 :              -0.00001507900782
                   +0 :              -0.00010790224630
                   +1 :              -0.00002717381316
                3d
                   -2 :              -0.00008313607426
                   -1 :              -0.00004787656738
                   +0 :              -0.00005023294316
                   +1 :              -0.00013119660050
                   +2 :              -0.00005035080138
             11 vec=     7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00009305597148
                2p
                   -1 :              -0.00001761974369
                   +0 :              -0.00000276254746
                   +1 :               0.00002363097834
                3s
                   +0 :               0.00046423349366
                4s
                   +0 :              -0.00009810237601
                3p
                   -1 :               0.00009143177986
                   +0 :              -0.00009864450698
                   +1 :              -0.00018552953056
                4p
                   -1 :              -0.00002047463876
                   +0 :               0.00003248387980
                   +1 :               0.00006022070562
                3d
                   -2 :               0.00006605138906
                   -1 :               0.00005148181679
                   +0 :               0.00008418347602
                   +1 :               0.00009147905704
                   +2 :               0.00002349359845
             12 vec=     7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00007740239500
                2p
                   -1 :              -0.00005677049282
                   +0 :               0.00000737232115
                   +1 :              -0.00000041784053
                3s
                   +0 :               0.00088673431854
                4s
                   +0 :              -0.00012973946802
                3p
                   -1 :               0.00051038486558
                   +0 :               0.00007566368648
                   +1 :              -0.00015690260027
                4p
                   -1 :              -0.00008637585297
                   +0 :               0.00002124093390
                   +1 :               0.00000827517532
                3d
                   -2 :               0.00003152891137
                   -1 :               0.00000461176827
                   +0 :               0.00003075041571
                   +1 :               0.00000345153051
                   +2 :              -0.00007765008313
             13 vec=    15.560325      0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00019236628652
                2p
                   -1 :              -0.00005764191096
                   +0 :               0.00006990135874
                   +1 :               0.00006532721898
                3s
                   +0 :               0.00135120559841
                4s
                   +0 :              -0.00015148442845
                3p
                   -1 :               0.00041399336344
                   +0 :              -0.00059539349599
                   +1 :              -0.00021657235644
                4p
                   -1 :              -0.00009303971489
                   +0 :               0.00016390014740
                   +1 :               0.00012616212811
                3d
                   -2 :               0.00003627735524
                   -1 :              -0.00017266213901
                   +0 :               0.00010587047179
                   +1 :              -0.00005476572307
                   +2 :              -0.00015943253815
             14 vec=     0.000000      0.000000     17.295216   |vec|=   17.295216
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00005108202085
                   +0 :              -0.00000000000000
                   +1 :               0.00004377688300
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00028978299621
                   +0 :               0.00000000000000
                   +1 :              -0.00030193791623
                4p
                   -1 :              -0.00005323930550
                   +0 :              -0.00000000000000
                   +1 :               0.00002797256567
                3d
                   -2 :              -0.00003010478993
                   -1 :               0.00003866922645
                   +0 :               0.00000000000000
                   +1 :              -0.00008090432507
                   +2 :              -0.00004684866873
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al(  5)  npairs=  18
              1 vec=    -2.593388     -4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :              -0.00001735871987
                2p
                   -1 :              -0.00003076501091
                   +0 :               0.00013792269587
                   +1 :               0.00027877668664
                3s
                   +0 :               0.00073054053898
                4s
                   +0 :               0.00008815475470
                3p
                   -1 :               0.00014180906123
                   +0 :              -0.00070854104859
                   +1 :              -0.00179343110674
                4p
                   -1 :              -0.00015350998132
                   +0 :               0.00005353484113
                   +1 :               0.00024724597142
                3d
                   -2 :               0.00022064141644
                   -1 :               0.00002853096118
                   +0 :               0.00007404080732
                   +1 :               0.00013463346744
                   +2 :              -0.00011214688108
              2 vec=    -2.593388      4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :               0.00048323939124
                2p
                   -1 :               0.00012134255038
                   +0 :              -0.00022641922048
                   +1 :               0.00012236022689
                3s
                   +0 :              -0.00304346826564
                4s
                   +0 :               0.00081672207479
                3p
                   -1 :              -0.00046693263504
                   +0 :               0.00155122090614
                   +1 :              -0.00107065000237
                4p
                   -1 :               0.00011550120469
                   +0 :              -0.00054855848257
                   +1 :               0.00018377894127
                3d
                   -2 :               0.00005014839110
                   -1 :               0.00026989033529
                   +0 :               0.00002111312497
                   +1 :               0.00007934982079
                   +2 :               0.00012614505060
              3 vec=     5.186775      0.000000    -11.343665   |vec|=   12.473226
                2s
                   +0 :              -0.00046588067137
                2p
                   -1 :              -0.00009017185798
                   +0 :               0.00008849652461
                   +1 :               0.00006883944458
                3s
                   +0 :               0.00231292772666
                4s
                   +0 :              -0.00090487682949
                3p
                   -1 :               0.00046338501085
                   +0 :              -0.00084267985755
                   +1 :              -0.00090485478124
                4p
                   -1 :              -0.00007396844873
                   +0 :               0.00049502364144
                   +1 :              -0.00001745806464
                3d
                   -2 :              -0.00007097196257
                   -1 :               0.00010133360582
                   +0 :              -0.00009515393229
                   +1 :              -0.00010203170531
                   +2 :              -0.00014065220635
              4 vec=    -2.593388     -4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :              -0.00008954593480
                2p
                   -1 :              -0.00012098918488
                   +0 :               0.00003708599591
                   +1 :              -0.00024313665470
                3s
                   +0 :               0.00174625987052
                4s
                   +0 :              -0.00035899270152
                3p
                   -1 :               0.00077632273256
                   +0 :               0.00065445934139
                   +1 :               0.00147795721454
                4p
                   -1 :              -0.00016048754129
                   +0 :              -0.00006548123202
                   +1 :              -0.00026822507684
                3d
                   -2 :               0.00024956469076
                   -1 :               0.00005286241058
                   +0 :               0.00004392819838
                   +1 :               0.00008371267317
                   +2 :              -0.00008658632324
              5 vec=    -2.593388      4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :              -0.00026839772909
                2p
                   -1 :              -0.00017827693489
                   +0 :              -0.00010715363063
                   +1 :               0.00001788648603
                3s
                   +0 :               0.00029718150137
                4s
                   +0 :              -0.00025557070584
                3p
                   -1 :               0.00063125468773
                   +0 :              -0.00025776839639
                   +1 :               0.00069310706020
                4p
                   -1 :              -0.00019773376704
                   +0 :              -0.00002182904722
                   +1 :              -0.00006802660822
                3d
                   -2 :               0.00017935750705
                   -1 :              -0.00008156854670
                   +0 :              -0.00021948115046
                   +1 :               0.00011782193449
                   +2 :               0.00014446570061
              6 vec=     5.186775      0.000000     13.203878   |vec|=   14.186085
                2s
                   +0 :               0.00035794366388
                2p
                   -1 :               0.00007641961096
                   +0 :               0.00007006763472
                   +1 :              -0.00006301243750
                3s
                   +0 :              -0.00204344137189
                4s
                   +0 :               0.00061456340736
                3p
                   -1 :               0.00002408853832
                   +0 :              -0.00039669094501
                   +1 :               0.00121116474946
                4p
                   -1 :              -0.00000573369454
                   +0 :               0.00008731027924
                   +1 :              -0.00013586966483
                3d
                   -2 :               0.00001436417666
                   -1 :               0.00001518641874
                   +0 :               0.00017555295208
                   +1 :               0.00021718792789
                   +2 :              -0.00003186151593
              7 vec=   -10.373550     -0.000000    -11.343665   |vec|=   15.371704
                2s
                   +0 :               0.00009411843832
                2p
                   -1 :               0.00012835616108
                   +0 :               0.00003512564457
                   +1 :               0.00014695681940
                3s
                   +0 :              -0.00446847686282
                4s
                   +0 :               0.00014462237344
                3p
                   -1 :               0.00104858004363
                   +0 :               0.00068399079010
                   +1 :               0.00146672718236
                4p
                   -1 :               0.00010062321697
                   +0 :              -0.00018027797853
                   +1 :               0.00011746642294
                3d
                   -2 :              -0.00048493303264
                   -1 :              -0.00004209160341
                   +0 :               0.00029597560499
                   +1 :              -0.00006158081057
                   +2 :              -0.00013829088628
              8 vec=     5.186775     -8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :               0.00000593140126
                2p
                   -1 :               0.00001756731248
                   +0 :               0.00000053819961
                   +1 :               0.00013489813347
                3s
                   +0 :               0.00103572049804
                4s
                   +0 :              -0.00007629896413
                3p
                   -1 :              -0.00040723838371
                   +0 :              -0.00034105140627
                   +1 :              -0.00025924097914
                4p
                   -1 :               0.00005966927607
                   +0 :               0.00009017500672
                   +1 :               0.00008972430588
                3d
                   -2 :              -0.00001803570460
                   -1 :               0.00007488941748
                   +0 :               0.00003873312130
                   +1 :              -0.00002278643068
                   +2 :              -0.00001906228982
              9 vec=     5.186775      8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :              -0.00010004983958
                2p
                   -1 :               0.00008340486513
                   +0 :              -0.00003566384418
                   +1 :               0.00004498151910
                3s
                   +0 :               0.00343275636477
                4s
                   +0 :              -0.00006832340931
                3p
                   -1 :               0.00181540310394
                   +0 :              -0.00034293938383
                   +1 :              -0.00065703263977
                4p
                   -1 :               0.00010417162465
                   +0 :               0.00009010297181
                   +1 :               0.00006812821120
                3d
                   -2 :              -0.00014822937523
                   -1 :              -0.00001719801147
                   +0 :              -0.00033470872630
                   +1 :               0.00005912491522
                   +2 :              -0.00048302153510
             10 vec=   -10.373550     -0.000000     13.203878   |vec|=   16.791454
                2s
                   +0 :              -0.00056882817228
                2p
                   -1 :               0.00000015218260
                   +0 :              -0.00008843850909
                   +1 :               0.00014048709982
                3s
                   +0 :               0.00393736825031
                4s
                   +0 :              -0.00065648620279
                3p
                   -1 :               0.00046745162769
                   +0 :               0.00126812603519
                   +1 :              -0.00159133650688
                4p
                   -1 :               0.00000086333608
                   +0 :              -0.00013163139527
                   +1 :               0.00020741319371
                3d
                   -2 :              -0.00021109659438
                   -1 :               0.00017776531402
                   +0 :               0.00012097322923
                   +1 :              -0.00036022148190
                   +2 :               0.00018246788900
             11 vec=     5.186775     -8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :               0.00058854498226
                2p
                   -1 :              -0.00012139380115
                   +0 :               0.00010912814740
                   +1 :               0.00013813738361
                3s
                   +0 :              -0.00424144416379
                4s
                   +0 :               0.00079703630920
                3p
                   -1 :               0.00179004149754
                   +0 :              -0.00152739225628
                   +1 :              -0.00083676704719
                4p
                   -1 :              -0.00023710043221
                   +0 :               0.00019543691627
                   +1 :               0.00024564530324
                3d
                   -2 :               0.00017538046428
                   -1 :               0.00043770913780
                   +0 :              -0.00012340621677
                   +1 :              -0.00013993152821
                   +2 :               0.00028203934970
             12 vec=     5.186775      8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :              -0.00001971680998
                2p
                   -1 :              -0.00005858589535
                   +0 :              -0.00002068963831
                   +1 :               0.00003405033206
                3s
                   +0 :               0.00030407591348
                4s
                   +0 :              -0.00014055010641
                3p
                   -1 :               0.00047527024160
                   +0 :               0.00025926622110
                   +1 :              -0.00006865535095
                4p
                   -1 :              -0.00015122852615
                   +0 :              -0.00006380552100
                   +1 :               0.00002044657996
                3d
                   -2 :               0.00006837334940
                   -1 :               0.00011696052981
                   +0 :               0.00000243298754
                   +1 :              -0.00002495855011
                   +2 :              -0.00010244533143
             13 vec=   -10.373550     -8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00012437573854
                2p
                   -1 :              -0.00007962635560
                   +0 :               0.00000646589806
                   +1 :              -0.00002888699971
                3s
                   +0 :              -0.00040084818222
                4s
                   +0 :               0.00006166882842
                3p
                   -1 :               0.00036965389214
                   +0 :              -0.00010419983520
                   +1 :               0.00008406657079
                4p
                   -1 :              -0.00006093444541
                   +0 :               0.00003683421573
                   +1 :               0.00001094935987
                3d
                   -2 :              -0.00005330136622
                   -1 :              -0.00000640543918
                   +0 :               0.00005352408313
                   +1 :               0.00001459454002
                   +2 :              -0.00001622903319
             14 vec=   -10.373550      8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00002368310076
                2p
                   -1 :              -0.00004231442524
                   +0 :              -0.00000319446794
                   +1 :              -0.00000887312992
                3s
                   +0 :              -0.00096138342074
                4s
                   +0 :               0.00012771153113
                3p
                   -1 :              -0.00013663457598
                   +0 :               0.00025883720496
                   +1 :               0.00007952826199
                4p
                   -1 :              -0.00001853443941
                   +0 :              -0.00009247614849
                   +1 :              -0.00003791696580
                3d
                   -2 :              -0.00000650385263
                   -1 :               0.00000924743544
                   +0 :               0.00001021809226
                   +1 :              -0.00002158559525
                   +2 :              -0.00002374836548
             15 vec=    -2.593388    -13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00001967938901
                2p
                   -1 :              -0.00004704179477
                   +0 :              -0.00002739120777
                   +1 :              -0.00001081575096
                3s
                   +0 :               0.00017478911951
                4s
                   +0 :               0.00003231481924
                3p
                   -1 :               0.00013935968582
                   +0 :               0.00007801315777
                   +1 :              -0.00002336420861
                4p
                   -1 :              -0.00006096515873
                   +0 :              -0.00001726563353
                   +1 :              -0.00002499273478
                3d
                   -2 :               0.00002731253618
                   -1 :              -0.00003629993334
                   +0 :              -0.00005326272966
                   +1 :              -0.00002558846529
                   +2 :               0.00003826058140
             16 vec=    -2.593388     13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00007609982444
                2p
                   -1 :               0.00003974983008
                   +0 :              -0.00002276251570
                   +1 :              -0.00001657930358
                3s
                   +0 :              -0.00073816236943
                4s
                   +0 :               0.00008720043297
                3p
                   -1 :              -0.00042905272140
                   +0 :               0.00029987613077
                   +1 :               0.00013619410221
                4p
                   -1 :               0.00005400218187
                   +0 :              -0.00004869386650
                   +1 :              -0.00002638467571
                3d
                   -2 :               0.00007193315294
                   -1 :               0.00007607244070
                   +0 :               0.00000893828723
                   +1 :              -0.00005366507220
                   +2 :               0.00009732977549
             17 vec=    12.966938     -4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00020047556298
                2p
                   -1 :              -0.00000927948526
                   +0 :               0.00001629661764
                   +1 :              -0.00012611596105
                3s
                   +0 :               0.00113901055165
                4s
                   +0 :              -0.00014886926139
                3p
                   -1 :               0.00001544435182
                   +0 :              -0.00019567629557
                   +1 :               0.00080183055399
                4p
                   -1 :              -0.00003579835501
                   +0 :               0.00001185965077
                   +1 :              -0.00010725569698
                3d
                   -2 :              -0.00008902891977
                   -1 :              -0.00002428105747
                   +0 :              -0.00006246237037
                   +1 :              -0.00009096320532
                   +2 :               0.00014900664617
             18 vec=    12.966938      4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00004336248977
                2p
                   -1 :              -0.00004299575083
                   +0 :               0.00003058567571
                   +1 :              -0.00001393846255
                3s
                   +0 :               0.00078659430123
                4s
                   +0 :              -0.00016002635037
                3p
                   -1 :               0.00009047004832
                   +0 :              -0.00033685036272
                   +1 :               0.00026710006871
                4p
                   -1 :              -0.00005094251145
                   +0 :               0.00010974178202
                   +1 :              -0.00006820093113
                3d
                   -2 :               0.00006410566503
                   -1 :              -0.00001005966181
                   +0 :               0.00004304463740
                   +1 :              -0.00006303220871
                   +2 :              -0.00002202974381
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al(  6)  npairs=  12
              1 vec=    -2.593388     -4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00593586179752
                2p
                   -1 :               0.00000689694622
                   +0 :              -0.00215593340308
                   +1 :               0.00054141763645
                3s
                   +0 :              -0.04846221039808
                4s
                   +0 :               0.00494502502561
                3p
                   -1 :               0.01159197369292
                   +0 :               0.03183389674655
                   +1 :               0.00721597076438
                4p
                   -1 :               0.00033777486080
                   +0 :              -0.00233634496658
                   +1 :               0.00078066761548
                3d
                   -2 :              -0.00150423819176
                   -1 :              -0.00473033317995
                   +0 :              -0.01037865264157
                   +1 :              -0.00444578361007
                   +2 :               0.00018369295218
              2 vec=    -2.593388      4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00301597148317
                2p
                   -1 :               0.00181769852489
                   +0 :              -0.00049630896466
                   +1 :              -0.00071055896251
                3s
                   +0 :              -0.02480176582606
                4s
                   +0 :               0.00195502948698
                3p
                   -1 :              -0.01548248356365
                   +0 :               0.00146227794410
                   +1 :              -0.00845163256867
                4p
                   -1 :               0.00159002853085
                   +0 :               0.00023506917880
                   +1 :              -0.00113937446896
                3d
                   -2 :              -0.00608379634162
                   -1 :              -0.00046316857726
                   +0 :               0.00561983803895
                   +1 :               0.00542691820022
                   +2 :               0.00155408146460
              3 vec=     5.186775      0.000000     -4.091339   |vec|=    6.606186
                2s
                   +0 :              -0.00895183328069
                2p
                   -1 :              -0.00017194580408
                   +0 :               0.00265224236774
                   +1 :              -0.00165277083137
                3s
                   +0 :               0.07326397622414
                4s
                   +0 :              -0.00690005451259
                3p
                   -1 :              -0.01551379743821
                   +0 :              -0.03329617469066
                   +1 :               0.02282933687572
                4p
                   -1 :              -0.00069890352563
                   +0 :               0.00210127578778
                   +1 :              -0.00126383691698
                3d
                   -2 :              -0.00498080853150
                   -1 :               0.00595325969310
                   +0 :               0.00475881460262
                   +1 :              -0.00320490565298
                   +2 :              -0.00309712648750
              4 vec=   -10.373550     -0.000000     -4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00117819631469
                2p
                   -1 :              -0.00001240194695
                   +0 :              -0.00019076121276
                   +1 :              -0.00031943883421
                3s
                   +0 :              -0.00591527803601
                4s
                   +0 :               0.00048248147308
                3p
                   -1 :               0.00092869966782
                   +0 :               0.00256382818486
                   +1 :               0.00058203985703
                4p
                   -1 :               0.00008418849074
                   +0 :               0.00005165145383
                   +1 :               0.00035780091028
                3d
                   -2 :               0.00000929289400
                   -1 :              -0.00079825192729
                   +0 :              -0.00117463375097
                   +1 :              -0.00069216788915
                   +2 :               0.00036242464372
              5 vec=     5.186775     -8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00165193435167
                2p
                   -1 :               0.00046059714007
                   +0 :               0.00035159510832
                   +1 :              -0.00059456718487
                3s
                   +0 :               0.00770962033277
                4s
                   +0 :              -0.00145686720177
                3p
                   -1 :              -0.00101532335488
                   +0 :              -0.00383168642046
                   +1 :               0.00400418492558
                4p
                   -1 :              -0.00005335862386
                   +0 :               0.00054552815248
                   +1 :              -0.00055580639343
                3d
                   -2 :               0.00009655618761
                   -1 :               0.00009198875806
                   +0 :               0.00071876775988
                   +1 :              -0.00173282634099
                   +2 :               0.00041923378513
              6 vec=     5.186775      8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00047373803698
                2p
                   -1 :               0.00046236573754
                   +0 :              -0.00016083389556
                   +1 :              -0.00004737378421
                3s
                   +0 :              -0.00179434229676
                4s
                   +0 :               0.00097438572868
                3p
                   -1 :              -0.00300697640833
                   +0 :               0.00126785823560
                   +1 :               0.00060953906810
                4p
                   -1 :               0.00080662206753
                   +0 :              -0.00059717960631
                   +1 :              -0.00021812203703
                3d
                   -2 :               0.00010212270044
                   -1 :               0.00054810507134
                   +0 :               0.00045586599109
                   +1 :              -0.00044152606607
                   +2 :               0.00031525698534
              7 vec=   -10.373550     -8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00005907132516
                2p
                   -1 :               0.00001708223119
                   +0 :               0.00005165310907
                   +1 :               0.00007377033133
                3s
                   +0 :               0.00068788946061
                4s
                   +0 :              -0.00018417696158
                3p
                   -1 :               0.00003207701457
                   +0 :              -0.00057508389555
                   +1 :              -0.00091615733884
                4p
                   -1 :               0.00004249539083
                   +0 :               0.00007857554887
                   +1 :               0.00019901937736
                3d
                   -2 :               0.00007921049705
                   -1 :               0.00006254062940
                   +0 :               0.00006901264942
                   +1 :               0.00009080374519
                   +2 :               0.00019394564088
              8 vec=   -10.373550      8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00010598352793
                2p
                   -1 :              -0.00002808023142
                   +0 :               0.00009835023329
                   +1 :              -0.00005996358014
                3s
                   +0 :              -0.00156579501396
                4s
                   +0 :               0.00012625925434
                3p
                   -1 :               0.00040629280370
                   +0 :              -0.00054242206668
                   +1 :               0.00076948612325
                4p
                   -1 :              -0.00002536806641
                   +0 :               0.00016908632519
                   +1 :              -0.00005360633227
                3d
                   -2 :              -0.00005649816133
                   -1 :              -0.00008771608183
                   +0 :               0.00009521263026
                   +1 :               0.00003390440329
                   +2 :              -0.00012031036423
              9 vec=    -2.593388    -13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00009581738555
                2p
                   -1 :              -0.00012585672334
                   +0 :              -0.00000478706658
                   +1 :              -0.00009137938446
                3s
                   +0 :               0.00016215081012
                4s
                   +0 :               0.00025237705631
                3p
                   -1 :               0.00038677014733
                   +0 :               0.00018534604976
                   +1 :               0.00060340495285
                4p
                   -1 :              -0.00024413194736
                   +0 :              -0.00005124085399
                   +1 :              -0.00005963748030
                3d
                   -2 :              -0.00013684968082
                   -1 :              -0.00014744531814
                   +0 :               0.00009119923068
                   +1 :               0.00009042663061
                   +2 :               0.00006537585901
             10 vec=    -2.593388     13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00031104796603
                2p
                   -1 :               0.00009990571137
                   +0 :              -0.00005554452269
                   +1 :               0.00002941448784
                3s
                   +0 :              -0.00167908084448
                4s
                   +0 :               0.00029115178705
                3p
                   -1 :              -0.00076771971828
                   +0 :               0.00037779264367
                   +1 :              -0.00019941720953
                4p
                   -1 :               0.00010788265274
                   +0 :              -0.00000116077508
                   +1 :               0.00006975577643
                3d
                   -2 :               0.00015362361493
                   -1 :               0.00018473743108
                   +0 :              -0.00012827559674
                   +1 :              -0.00015266081644
                   +2 :               0.00007222279397
             11 vec=    12.966938     -4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00025197664087
                2p
                   -1 :               0.00002008068401
                   +0 :               0.00000389141363
                   +1 :              -0.00002013482828
                3s
                   +0 :               0.00099119138387
                4s
                   +0 :              -0.00010697482547
                3p
                   -1 :               0.00025289380804
                   +0 :               0.00019729125188
                   +1 :               0.00013485701432
                4p
                   -1 :              -0.00003675654040
                   +0 :              -0.00007741477379
                   +1 :               0.00007776054700
                3d
                   -2 :               0.00022183213363
                   -1 :              -0.00008720746506
                   +0 :               0.00005926294732
                   +1 :              -0.00013675407014
                   +2 :               0.00019752786788
             12 vec=    12.966938      4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00020180091348
                2p
                   -1 :              -0.00004976159276
                   +0 :              -0.00009356316671
                   +1 :              -0.00016034840819
                3s
                   +0 :               0.00140364420384
                4s
                   +0 :              -0.00037863631065
                3p
                   -1 :               0.00054036198817
                   +0 :               0.00035707601692
                   +1 :               0.00066953842169
                4p
                   -1 :              -0.00012952687947
                   +0 :              -0.00011784547120
                   +1 :              -0.00024607698461
                3d
                   -2 :               0.00006413506538
                   -1 :              -0.00016653038472
                   +0 :              -0.00018641186093
                   +1 :               0.00001043848096
                   +2 :               0.00004211920450
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al(  7)  npairs=  15
              1 vec=    -2.593388     -4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00082561307271
                2p
                   -1 :               0.00059759929668
                   +0 :              -0.00057879392057
                   +1 :               0.00064720005092
                3s
                   +0 :              -0.00065989494596
                4s
                   +0 :              -0.00167221203774
                3p
                   -1 :              -0.00197013317213
                   +0 :               0.00318309360952
                   +1 :               0.00453950064620
                4p
                   -1 :               0.00087523810645
                   +0 :              -0.00128439477554
                   +1 :              -0.00003805949789
                3d
                   -2 :               0.00008858942266
                   -1 :              -0.00060720841665
                   +0 :               0.00092647919322
                   +1 :              -0.00038414669860
                   +2 :              -0.00078060462287
              2 vec=    -2.593388      4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00068571929508
                2p
                   -1 :               0.00051779620470
                   +0 :               0.00016900594309
                   +1 :               0.00039590378424
                3s
                   +0 :               0.01112113618828
                4s
                   +0 :              -0.00148657454845
                3p
                   -1 :               0.00444555302694
                   +0 :               0.00293013267996
                   +1 :              -0.00223407468435
                4p
                   -1 :               0.00018638078389
                   +0 :              -0.00065168003976
                   +1 :               0.00081005452013
                3d
                   -2 :               0.00003179340681
                   -1 :               0.00022879478709
                   +0 :               0.00018337714047
                   +1 :              -0.00038978531956
                   +2 :              -0.00075229608935
              3 vec=     5.186775      0.000000      8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00151133236780
                2p
                   -1 :               0.00034006879988
                   +0 :               0.00040978797749
                   +1 :               0.00059066342254
                3s
                   +0 :              -0.01046124124233
                4s
                   +0 :               0.00315878658619
                3p
                   -1 :              -0.00462837838330
                   +0 :              -0.00611322628948
                   +1 :              -0.00440343425019
                4p
                   -1 :               0.00126529773008
                   +0 :               0.00193607481530
                   +1 :               0.00098256545204
                3d
                   -2 :               0.00003567550557
                   -1 :              -0.00019409000376
                   +0 :              -0.00110985633368
                   +1 :              -0.00111096602116
                   +2 :              -0.00081563714867
              4 vec=   -10.373550     -0.000000      8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00015324055557
                2p
                   -1 :              -0.00004160303100
                   +0 :               0.00000303622504
                   +1 :               0.00008673981632
                3s
                   +0 :               0.00169290451949
                4s
                   +0 :              -0.00024712550088
                3p
                   -1 :               0.00010186463367
                   +0 :               0.00041400614567
                   +1 :              -0.00086875606663
                4p
                   -1 :              -0.00013419646392
                   +0 :              -0.00016735446725
                   +1 :               0.00009169710254
                3d
                   -2 :               0.00000736123137
                   -1 :               0.00007046515681
                   +0 :              -0.00002819649534
                   +1 :              -0.00001718079690
                   +2 :               0.00008575349065
              5 vec=     5.186775     -8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00034637507665
                2p
                   -1 :              -0.00001115412811
                   +0 :              -0.00002175306960
                   +1 :               0.00002094922851
                3s
                   +0 :              -0.00160405373336
                4s
                   +0 :               0.00003836297186
                3p
                   -1 :               0.00053917388430
                   +0 :               0.00010444195287
                   +1 :               0.00002233455471
                4p
                   -1 :               0.00014811984522
                   +0 :               0.00008987551069
                   +1 :              -0.00019791352217
                3d
                   -2 :               0.00004489071990
                   -1 :               0.00005371662110
                   +0 :               0.00021750918463
                   +1 :               0.00026518837416
                   +2 :               0.00019478379080
              6 vec=     5.186775      8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00019313452108
                2p
                   -1 :               0.00003059774082
                   +0 :               0.00001871684457
                   +1 :               0.00008021404584
                3s
                   +0 :              -0.00008885078613
                4s
                   +0 :               0.00020876252902
                3p
                   -1 :              -0.00045118785618
                   +0 :              -0.00051844809854
                   +1 :              -0.00004448983560
                4p
                   -1 :               0.00025777184887
                   +0 :               0.00007747895657
                   +1 :               0.00019138488580
                3d
                   -2 :               0.00012054898535
                   -1 :              -0.00018244798643
                   +0 :              -0.00018931268928
                   +1 :               0.00010949913123
                   +2 :               0.00010776715027
              7 vec=   -10.373550     -8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00022951033287
                2p
                   -1 :               0.00001599367255
                   +0 :              -0.00008354211979
                   +1 :               0.00006237022448
                3s
                   +0 :               0.00150955225261
                4s
                   +0 :              -0.00024876967505
                3p
                   -1 :               0.00012156678790
                   +0 :               0.00071782198606
                   +1 :              -0.00060141159939
                4p
                   -1 :              -0.00000775114558
                   +0 :              -0.00010089591641
                   +1 :               0.00013803216076
                3d
                   -2 :              -0.00004138616867
                   -1 :              -0.00000828442154
                   +0 :               0.00010400671775
                   +1 :              -0.00016119712398
                   +2 :               0.00008941624925
              8 vec=   -10.373550      8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00003037941773
                2p
                   -1 :              -0.00006981955178
                   +0 :               0.00000504416765
                   +1 :               0.00002936295626
                3s
                   +0 :               0.00000174687473
                4s
                   +0 :              -0.00004384424628
                3p
                   -1 :               0.00024363548531
                   +0 :              -0.00012417355103
                   +1 :              -0.00023068898680
                4p
                   -1 :              -0.00011497444001
                   +0 :               0.00001969829062
                   +1 :               0.00004630485939
                3d
                   -2 :              -0.00004796759146
                   -1 :               0.00000377394277
                   +0 :              -0.00000213631188
                   +1 :              -0.00002038782890
                   +2 :               0.00007669437359
              9 vec=    -2.593388    -13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00008892476441
                2p
                   -1 :              -0.00003265880646
                   +0 :               0.00003959600108
                   +1 :              -0.00005898158520
                3s
                   +0 :               0.00084429392558
                4s
                   +0 :              -0.00005562957000
                3p
                   -1 :              -0.00005640221655
                   +0 :              -0.00009790539360
                   +1 :               0.00018580803407
                4p
                   -1 :              -0.00003391622224
                   +0 :               0.00000848096884
                   +1 :              -0.00005854303842
                3d
                   -2 :              -0.00003982448397
                   -1 :               0.00008349850360
                   +0 :               0.00001450220110
                   +1 :               0.00003248944216
                   +2 :               0.00001137535856
             10 vec=    -2.593388     13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00010891866442
                2p
                   -1 :               0.00003519832973
                   +0 :               0.00009147805132
                   +1 :               0.00002364836132
                3s
                   +0 :              -0.00042482737407
                4s
                   +0 :               0.00004593856371
                3p
                   -1 :              -0.00020521244101
                   +0 :              -0.00067257869066
                   +1 :              -0.00027613708814
                4p
                   -1 :               0.00001643296023
                   +0 :               0.00013619695091
                   +1 :               0.00005020544478
                3d
                   -2 :              -0.00005394789043
                   -1 :              -0.00023053617832
                   +0 :              -0.00007652442613
                   +1 :              -0.00006786201084
                   +2 :               0.00001497519246
             11 vec=    12.966938     -4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00012059166845
                2p
                   -1 :              -0.00000793811605
                   +0 :              -0.00000793593153
                   +1 :               0.00002637757191
                3s
                   +0 :              -0.00108472487854
                4s
                   +0 :               0.00020283111134
                3p
                   -1 :               0.00023987316340
                   +0 :              -0.00004524329539
                   +1 :              -0.00015577523010
                4p
                   -1 :              -0.00007171925984
                   +0 :              -0.00003530103450
                   +1 :               0.00007317475276
                3d
                   -2 :               0.00001680081671
                   -1 :              -0.00003857972088
                   +0 :              -0.00002748229162
                   +1 :               0.00007794610000
                   +2 :               0.00004131695069
             12 vec=    12.966938      4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00011930418214
                2p
                   -1 :               0.00002526943808
                   +0 :              -0.00004464016873
                   +1 :               0.00001737283500
                3s
                   +0 :              -0.00084604080031
                4s
                   +0 :               0.00009947381627
                3p
                   -1 :              -0.00026708036629
                   +0 :               0.00022207894463
                   +1 :              -0.00028228074827
                4p
                   -1 :               0.00001635561191
                   +0 :              -0.00002817925947
                   +1 :               0.00006407938626
                3d
                   -2 :              -0.00010046396408
                   -1 :              -0.00000215683684
                   +0 :              -0.00001236588923
                   +1 :               0.00007509430162
                   +2 :               0.00003698272812
             13 vec=    -2.593388     -4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00000120108251
                2p
                   -1 :              -0.00001808121011
                   +0 :              -0.00000445952394
                   +1 :              -0.00003102694712
                3s
                   +0 :              -0.00022134066793
                4s
                   +0 :               0.00002967723605
                3p
                   -1 :               0.00019122315370
                   +0 :               0.00016295157149
                   +1 :               0.00010106865160
                4p
                   -1 :              -0.00001982519812
                   +0 :              -0.00002412318511
                   +1 :              -0.00002420798807
                3d
                   -2 :               0.00000931783308
                   -1 :              -0.00004428170378
                   +0 :              -0.00009833634285
                   +1 :              -0.00001087596480
                   +2 :               0.00001505705590
             14 vec=    -2.593388      4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00010657412575
                2p
                   -1 :              -0.00005883487198
                   +0 :              -0.00000689351352
                   +1 :              -0.00006350298813
                3s
                   +0 :              -0.00092437636931
                4s
                   +0 :               0.00019408524218
                3p
                   -1 :               0.00033852817817
                   +0 :               0.00029217753542
                   +1 :               0.00013195028552
                4p
                   -1 :              -0.00006128465281
                   +0 :              -0.00004847289523
                   +1 :              -0.00005814520312
                3d
                   -2 :              -0.00005128246731
                   -1 :              -0.00004316278692
                   +0 :               0.00003885512674
                   +1 :               0.00000138525207
                   +2 :              -0.00001314745052
             15 vec=     5.186775      0.000000    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00010537304324
                2p
                   -1 :              -0.00006658311758
                   +0 :               0.00001135303746
                   +1 :              -0.00001197126115
                3s
                   +0 :               0.00114571703724
                4s
                   +0 :              -0.00022376247822
                3p
                   -1 :               0.00029161994543
                   +0 :              -0.00045512910691
                   +1 :              -0.00001106042473
                4p
                   -1 :              -0.00006994541583
                   +0 :               0.00007259608034
                   +1 :              -0.00000527165461
                3d
                   -2 :               0.00000344350195
                   -1 :              -0.00003310372007
                   +0 :               0.00005948121612
                   +1 :              -0.00000571436679
                   +2 :              -0.00005152659693
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al(  8)  npairs=  12
              1 vec=    -2.593388     -4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00001330615524
                2p
                   -1 :               0.00240216688771
                   +0 :               0.00144724242510
                   +1 :               0.00099926174887
                3s
                   +0 :              -0.00999099864657
                4s
                   +0 :              -0.00454019216263
                3p
                   -1 :              -0.02233885404783
                   +0 :              -0.00498125802389
                   +1 :              -0.00819000039781
                4p
                   -1 :               0.00363010023318
                   +0 :               0.00025342473899
                   +1 :               0.00070489425623
                3d
                   -2 :               0.00750880727615
                   -1 :              -0.01301752151468
                   +0 :              -0.01029960103188
                   +1 :               0.00079115957395
                   +2 :              -0.00865168860207
              2 vec=    -2.593388      4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :               0.00015408188337
                2p
                   -1 :               0.00220854179413
                   +0 :               0.00148005822650
                   +1 :               0.00049579938176
                3s
                   +0 :               0.01987631958174
                4s
                   +0 :              -0.00011520263806
                3p
                   -1 :              -0.01223932276821
                   +0 :              -0.00082027882806
                   +1 :              -0.00013272430581
                4p
                   -1 :               0.00131653108560
                   +0 :               0.00066480236874
                   +1 :               0.00083477354560
                3d
                   -2 :               0.00446560036625
                   -1 :               0.00287192418186
                   +0 :               0.01339270984806
                   +1 :               0.00421077937908
                   +2 :               0.00720503900625
              3 vec=     5.186775      0.000000      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00014077572813
                2p
                   -1 :               0.00186934314115
                   +0 :              -0.00292730065160
                   +1 :               0.00091521481517
                3s
                   +0 :              -0.00988532093518
                4s
                   +0 :               0.00465539480069
                3p
                   -1 :              -0.01031128262704
                   +0 :               0.00580153685195
                   +1 :              -0.01290781300628
                4p
                   -1 :               0.00258579442341
                   +0 :              -0.00091822710773
                   +1 :               0.00277344355613
                3d
                   -2 :              -0.00774512510849
                   -1 :              -0.00211132104388
                   +0 :              -0.00309310881618
                   +1 :              -0.01125969414873
                   +2 :              -0.00335881929086
              4 vec=   -10.373550     -0.000000      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00006047266759
                2p
                   -1 :               0.00043118087392
                   +0 :               0.00015810357887
                   +1 :               0.00011030503704
                3s
                   +0 :              -0.00271504557111
                4s
                   +0 :               0.00040888624637
                3p
                   -1 :               0.00202070462672
                   +0 :              -0.00683343102072
                   +1 :               0.00060003006343
                4p
                   -1 :               0.00052990477798
                   +0 :               0.00061846127191
                   +1 :              -0.00008674959111
                3d
                   -2 :              -0.00026835565177
                   -1 :               0.00046295760260
                   +0 :              -0.00097640488827
                   +1 :               0.00102656596318
                   +2 :              -0.00041050376646
              5 vec=     5.186775     -8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00105778755635
                2p
                   -1 :              -0.00047711256170
                   +0 :               0.00025262981038
                   +1 :               0.00056962777008
                3s
                   +0 :              -0.00280678682863
                4s
                   +0 :               0.00038239237645
                3p
                   -1 :               0.00342915937671
                   +0 :               0.00210660643090
                   +1 :              -0.00003439081417
                4p
                   -1 :              -0.00010936462494
                   +0 :               0.00024085114312
                   +1 :               0.00058212933399
                3d
                   -2 :               0.00008175140994
                   -1 :               0.00008669347276
                   +0 :               0.00084140649714
                   +1 :               0.00055487076244
                   +2 :               0.00036893653452
              6 vec=     5.186775      8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :              -0.00111826022394
                2p
                   -1 :              -0.00042075099924
                   +0 :              -0.00041073338925
                   +1 :              -0.00044663878578
                3s
                   +0 :               0.00552183239974
                4s
                   +0 :              -0.00079127862283
                3p
                   -1 :               0.00327435659840
                   +0 :               0.00472682458982
                   +1 :               0.00150257721821
                4p
                   -1 :              -0.00036899606467
                   +0 :              -0.00085931241503
                   +1 :              -0.00030593367135
                3d
                   -2 :               0.00058171298047
                   -1 :               0.00068332556436
                   +0 :               0.00013499839112
                   +1 :               0.00046486406784
                   +2 :              -0.00032398522546
              7 vec=   -10.373550     -8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00011975192702
                2p
                   -1 :               0.00005321325485
                   +0 :               0.00005540276158
                   +1 :               0.00009191896382
                3s
                   +0 :               0.00111325802988
                4s
                   +0 :              -0.00008624133452
                3p
                   -1 :              -0.00050925811051
                   +0 :              -0.00039044896063
                   +1 :              -0.00103772292753
                4p
                   -1 :              -0.00001919215787
                   +0 :               0.00015407091531
                   +1 :               0.00013398059890
                3d
                   -2 :               0.00018068738408
                   -1 :               0.00001066051137
                   +0 :              -0.00016674566632
                   +1 :               0.00006994594658
                   +2 :              -0.00000627420520
              8 vec=   -10.373550      8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00009310930296
                2p
                   -1 :               0.00002465914794
                   +0 :              -0.00003098645957
                   +1 :               0.00013773763036
                3s
                   +0 :              -0.00079354678109
                4s
                   +0 :               0.00012199861452
                3p
                   -1 :               0.00004109283354
                   +0 :              -0.00009120055541
                   +1 :              -0.00052124606561
                4p
                   -1 :              -0.00001903245640
                   +0 :              -0.00002596178296
                   +1 :               0.00008234755157
                3d
                   -2 :              -0.00008329859725
                   -1 :               0.00002932433688
                   +0 :              -0.00021407359182
                   +1 :               0.00010741851146
                   +2 :               0.00002546253654
              9 vec=    -2.593388    -13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00012993995772
                2p
                   -1 :              -0.00002149304723
                   +0 :              -0.00002708242192
                   +1 :               0.00004431828973
                3s
                   +0 :               0.00114514867912
                4s
                   +0 :               0.00004073105041
                3p
                   -1 :              -0.00010644474998
                   +0 :               0.00015882694512
                   +1 :              -0.00013301819290
                4p
                   -1 :              -0.00016281638312
                   +0 :              -0.00000199563689
                   +1 :              -0.00001618781214
                3d
                   -2 :              -0.00004064500420
                   -1 :               0.00003363370033
                   +0 :               0.00015437942788
                   +1 :              -0.00011100128129
                   +2 :              -0.00004116839366
             10 vec=    -2.593388     13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00000930054518
                2p
                   -1 :              -0.00008512002009
                   +0 :               0.00006473798067
                   +1 :               0.00015230968733
                3s
                   +0 :              -0.00111035548600
                4s
                   +0 :               0.00006040087326
                3p
                   -1 :               0.00011395592477
                   +0 :              -0.00056996746803
                   +1 :              -0.00041547887340
                4p
                   -1 :              -0.00006632355846
                   +0 :               0.00006481379719
                   +1 :               0.00019991935027
                3d
                   -2 :              -0.00007564808670
                   -1 :              -0.00020371538982
                   +0 :              -0.00033445590367
                   +1 :              -0.00001711718187
                   +2 :              -0.00005474952534
             11 vec=    12.966938     -4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00011045138184
                2p
                   -1 :               0.00003634651809
                   +0 :              -0.00012014074225
                   +1 :               0.00024191445586
                3s
                   +0 :              -0.00000290254388
                4s
                   +0 :               0.00002584046126
                3p
                   -1 :               0.00034122806536
                   +0 :               0.00096041642865
                   +1 :              -0.00126632008702
                4p
                   -1 :               0.00001434677561
                   +0 :              -0.00021888471250
                   +1 :               0.00020776696481
                3d
                   -2 :               0.00009450050739
                   -1 :              -0.00017192632020
                   +0 :               0.00050120156999
                   +1 :               0.00021206935875
                   +2 :              -0.00025250489486
             12 vec=    12.966938      4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00022304926068
                2p
                   -1 :               0.00008248657255
                   +0 :               0.00005806888149
                   +1 :               0.00005105898658
                3s
                   +0 :              -0.00035160189803
                4s
                   +0 :              -0.00016272966493
                3p
                   -1 :              -0.00036889115845
                   +0 :              -0.00006762638971
                   +1 :              -0.00045490342459
                4p
                   -1 :              -0.00000559029162
                   +0 :               0.00002795741985
                   +1 :              -0.00009144066349
                3d
                   -2 :              -0.00011967587896
                   -1 :               0.00022063610782
                   +0 :               0.00005969416394
                   +1 :               0.00000194063331
                   +2 :              -0.00004479202370
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al(  9)  npairs=  12
              1 vec=    -5.186775     -0.000000     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00012336644669
                2p
                   -1 :              -0.00256320918262
                   +0 :               0.00056663858856
                   +1 :               0.00104637378978
                3s
                   +0 :              -0.01903726270440
                4s
                   +0 :              -0.00631298002831
                3p
                   -1 :               0.03769962512387
                   +0 :              -0.01077260752317
                   +1 :              -0.01725954456325
                4p
                   -1 :              -0.00462674527582
                   +0 :               0.00291912413582
                   +1 :               0.00580419306740
                3d
                   -2 :              -0.00899878898253
                   -1 :              -0.00358001451461
                   +0 :               0.00393821314113
                   +1 :               0.00973027935112
                   +2 :               0.01232962909465
              2 vec=     2.593388     -4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :              -0.00060332638334
                2p
                   -1 :              -0.00261153891754
                   +0 :              -0.00057421978012
                   +1 :               0.00050312571277
                3s
                   +0 :               0.03529208425464
                4s
                   +0 :               0.00789365325318
                3p
                   -1 :               0.02048453604068
                   +0 :              -0.00584920234668
                   +1 :               0.02390181313008
                4p
                   -1 :              -0.00802193848705
                   +0 :              -0.00319402397732
                   +1 :              -0.00049843015673
                3d
                   -2 :               0.00053337317718
                   -1 :              -0.00613981284604
                   +0 :               0.00183990584453
                   +1 :              -0.00523925132199
                   +2 :               0.01167788666270
              3 vec=     2.593388      4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00047995993665
                2p
                   -1 :              -0.00211690741483
                   +0 :               0.00000758119156
                   +1 :               0.00073289497308
                3s
                   +0 :              -0.01625482155024
                4s
                   +0 :              -0.00158067322487
                3p
                   -1 :              -0.00655470083440
                   +0 :               0.01662180986984
                   +1 :              -0.01158757019104
                4p
                   -1 :              -0.00086611005886
                   +0 :               0.00027489984150
                   +1 :              -0.00028744211634
                3d
                   -2 :              -0.00479713340547
                   -1 :               0.00810408016532
                   +0 :              -0.00577811898565
                   +1 :               0.00002866363098
                   +2 :               0.00374866329537
              4 vec=    -5.186775     -8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :              -0.00066951169894
                2p
                   -1 :              -0.00021257287652
                   +0 :               0.00011022020572
                   +1 :               0.00034976131335
                3s
                   +0 :              -0.00027984949880
                4s
                   +0 :              -0.00047815242585
                3p
                   -1 :              -0.00018538593429
                   +0 :               0.00054408377442
                   +1 :               0.00086649159433
                4p
                   -1 :              -0.00024307192732
                   +0 :               0.00008986851966
                   +1 :               0.00042131100941
                3d
                   -2 :               0.00001776906982
                   -1 :              -0.00003660066989
                   +0 :              -0.00031629279944
                   +1 :              -0.00064545371516
                   +2 :              -0.00105634919427
              5 vec=    -5.186775      8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :               0.00129837618916
                2p
                   -1 :               0.00006032748213
                   +0 :              -0.00056075063520
                   +1 :               0.00006430376593
                3s
                   +0 :              -0.00862567118321
                4s
                   +0 :               0.00094426433165
                3p
                   -1 :              -0.00087439179914
                   +0 :               0.00638609473719
                   +1 :              -0.00018354923078
                4p
                   -1 :              -0.00019311077754
                   +0 :              -0.00084487505306
                   +1 :               0.00000582093040
                3d
                   -2 :               0.00007645336599
                   -1 :               0.00143052210040
                   +0 :              -0.00124109735417
                   +1 :              -0.00015099816011
                   +2 :              -0.00076482767811
              6 vec=    10.373550      0.000000     -3.160987   |vec|=   10.844463
                2s
                   +0 :              -0.00062886449022
                2p
                   -1 :              -0.00032333618497
                   +0 :               0.00045053042948
                   +1 :              -0.00002930610365
                3s
                   +0 :               0.00890552068202
                4s
                   +0 :              -0.00046611190580
                3p
                   -1 :              -0.00143925089627
                   +0 :              -0.00693017851161
                   +1 :               0.00093816776409
                4p
                   -1 :              -0.00057791631588
                   +0 :               0.00075500653340
                   +1 :               0.00017029834499
                3d
                   -2 :              -0.00020535382084
                   -1 :               0.00112517178697
                   +0 :               0.00155739015361
                   +1 :              -0.00166879152717
                   +2 :              -0.00085976634490
              7 vec=   -12.966938     -4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00020997150131
                2p
                   -1 :              -0.00012427441090
                   +0 :              -0.00013955065568
                   +1 :               0.00002685788237
                3s
                   +0 :              -0.00128892320824
                4s
                   +0 :               0.00009446594579
                3p
                   -1 :               0.00047356231512
                   +0 :               0.00113767991876
                   +1 :               0.00010881141407
                4p
                   -1 :              -0.00013885915910
                   +0 :              -0.00023002534390
                   +1 :               0.00012973152259
                3d
                   -2 :               0.00002746909639
                   -1 :              -0.00021221518471
                   +0 :              -0.00013779393851
                   +1 :              -0.00030423584495
                   +2 :              -0.00003208099293
              8 vec=   -12.966938      4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00028935506509
                2p
                   -1 :              -0.00002835033180
                   +0 :              -0.00006765545412
                   +1 :              -0.00008348204075
                3s
                   +0 :              -0.00293437847345
                4s
                   +0 :               0.00043834933142
                3p
                   -1 :              -0.00025718780434
                   +0 :               0.00025161025422
                   +1 :               0.00061740732022
                4p
                   -1 :              -0.00004060240042
                   +0 :              -0.00019654145478
                   +1 :              -0.00012681821551
                3d
                   -2 :              -0.00001413600691
                   -1 :              -0.00018439635781
                   +0 :              -0.00006647115630
                   +1 :              -0.00001683677825
                   +2 :              -0.00015187221900
              9 vec=     2.593388    -13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00007817439095
                2p
                   -1 :               0.00007426677273
                   +0 :               0.00005439528068
                   +1 :               0.00000396918802
                3s
                   +0 :              -0.00027659172760
                4s
                   +0 :               0.00007489662907
                3p
                   -1 :              -0.00028930664570
                   +0 :              -0.00045767807879
                   +1 :              -0.00017719121869
                4p
                   -1 :              -0.00002190475933
                   +0 :               0.00017672828317
                   +1 :              -0.00010158123811
                3d
                   -2 :              -0.00034305284603
                   -1 :               0.00023772755702
                   +0 :              -0.00014269471758
                   +1 :               0.00009781888014
                   +2 :              -0.00021565421588
             10 vec=     2.593388     13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00003787194264
                2p
                   -1 :               0.00009325230724
                   +0 :               0.00003951745996
                   +1 :               0.00004001732328
                3s
                   +0 :               0.00026046445690
                4s
                   +0 :               0.00006160469833
                3p
                   -1 :              -0.00013394701115
                   +0 :              -0.00057271531685
                   +1 :              -0.00023354616702
                4p
                   -1 :               0.00011392777527
                   +0 :               0.00015311938821
                   +1 :               0.00003644732802
                3d
                   -2 :              -0.00005924240990
                   -1 :              -0.00012004676471
                   +0 :               0.00011903119570
                   +1 :               0.00002217408468
                   +2 :               0.00004973660611
             11 vec=    10.373550     -8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00024784344395
                2p
                   -1 :              -0.00000411464170
                   +0 :               0.00010003319572
                   +1 :              -0.00015494606109
                3s
                   +0 :               0.00102845875133
                4s
                   +0 :              -0.00015607064412
                3p
                   -1 :              -0.00012668271042
                   +0 :              -0.00056496460192
                   +1 :               0.00046375113311
                4p
                   -1 :              -0.00009325217418
                   +0 :               0.00007690595570
                   +1 :              -0.00013583048160
                3d
                   -2 :              -0.00008674277600
                   -1 :               0.00011654831640
                   +0 :               0.00001876274281
                   +1 :              -0.00022085107327
                   +2 :              -0.00006626656066
             12 vec=    10.373550      8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00036752945604
                2p
                   -1 :              -0.00005277676524
                   +0 :               0.00001326017343
                   +1 :               0.00004911259302
                3s
                   +0 :               0.00321097020105
                4s
                   +0 :              -0.00051324596049
                3p
                   -1 :               0.00041489529549
                   +0 :               0.00020606782457
                   +1 :               0.00019229231820
                4p
                   -1 :              -0.00005310944342
                   +0 :               0.00001981317160
                   +1 :              -0.00009800709464
                3d
                   -2 :              -0.00023383125607
                   -1 :              -0.00007262911324
                   +0 :               0.00020916587388
                   +1 :               0.00040606108473
                   +2 :               0.00010108712097
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al( 10)  npairs=  12
              1 vec=    -5.186775     -0.000000      4.091339   |vec|=    6.606186
                2s
                   +0 :              -0.00136129232832
                2p
                   -1 :              -0.00085088053365
                   +0 :               0.00035563832282
                   +1 :               0.00038353895618
                3s
                   +0 :               0.02790172410949
                4s
                   +0 :               0.00194083852272
                3p
                   -1 :               0.01631112889437
                   +0 :              -0.00711028509357
                   +1 :              -0.01168365834637
                4p
                   -1 :              -0.00007818313870
                   +0 :               0.00099274563585
                   +1 :              -0.00174159695179
                3d
                   -2 :              -0.00664107868661
                   -1 :              -0.00070693691668
                   +0 :              -0.00485166736805
                   +1 :               0.00490676696329
                   +2 :               0.00119484624404
              2 vec=     2.593388     -4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00026072639963
                2p
                   -1 :              -0.00079134163520
                   +0 :              -0.00017055449616
                   +1 :               0.00089259051871
                3s
                   +0 :              -0.00889074109495
                4s
                   +0 :               0.00153393674872
                3p
                   -1 :               0.00890936002340
                   +0 :               0.01398812359913
                   +1 :               0.00199574597590
                4p
                   -1 :              -0.00139044677554
                   +0 :               0.00043977084048
                   +1 :               0.00245484626317
                3d
                   -2 :              -0.00368286503989
                   -1 :              -0.00879679138503
                   +0 :               0.00623421520053
                   +1 :               0.00035414508780
                   +2 :               0.00243435264032
              3 vec=     2.593388      4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00110056592869
                2p
                   -1 :              -0.00126196266942
                   +0 :              -0.00018508382666
                   +1 :               0.00068962693602
                3s
                   +0 :              -0.01901098301454
                4s
                   +0 :              -0.00347477527144
                3p
                   -1 :               0.00076353280715
                   +0 :              -0.00687783850555
                   +1 :              -0.01125407606044
                4p
                   -1 :              -0.00436854138681
                   +0 :              -0.00143251647633
                   +1 :              -0.00077982899028
                3d
                   -2 :              -0.00408852783592
                   -1 :              -0.00080917795286
                   +0 :              -0.00138254783248
                   +1 :              -0.00437556345696
                   +2 :              -0.00074728872571
              4 vec=    -5.186775     -8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00046263027065
                2p
                   -1 :               0.00020506249749
                   +0 :              -0.00024048648732
                   +1 :              -0.00024819572501
                3s
                   +0 :               0.00189837731019
                4s
                   +0 :              -0.00027780997467
                3p
                   -1 :              -0.00106858615035
                   +0 :               0.00189264789472
                   +1 :               0.00180348623861
                4p
                   -1 :               0.00011409795727
                   +0 :              -0.00023535282463
                   +1 :              -0.00035071413076
                3d
                   -2 :               0.00008429435327
                   -1 :              -0.00015179837887
                   +0 :              -0.00002445796673
                   +1 :              -0.00000064624503
                   +2 :               0.00021635673197
              5 vec=    -5.186775      8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00017207843624
                2p
                   -1 :              -0.00010785675745
                   +0 :               0.00024970013012
                   +1 :              -0.00037638327517
                3s
                   +0 :               0.00064507540503
                4s
                   +0 :               0.00018930666881
                3p
                   -1 :               0.00055935406353
                   +0 :              -0.00179016555133
                   +1 :               0.00118828560630
                4p
                   -1 :              -0.00034560920323
                   +0 :               0.00061593403740
                   +1 :              -0.00041142913290
                3d
                   -2 :               0.00040579756999
                   -1 :              -0.00018600109605
                   +0 :              -0.00019185103697
                   +1 :              -0.00008570680609
                   +2 :               0.00006659547708
              6 vec=    10.373550      0.000000      4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00029055183441
                2p
                   -1 :              -0.00006241080486
                   +0 :              -0.00000921364280
                   +1 :              -0.00004129347598
                3s
                   +0 :              -0.00254345271523
                4s
                   +0 :               0.00008850330586
                3p
                   -1 :              -0.00078739541942
                   +0 :              -0.00010248234339
                   +1 :               0.00008604834139
                4p
                   -1 :              -0.00016833635722
                   +0 :              -0.00038058121278
                   +1 :               0.00001704644747
                3d
                   -2 :               0.00037474301286
                   -1 :              -0.00024256434419
                   +0 :               0.00021630900369
                   +1 :              -0.00001355610360
                   +2 :               0.00041990605760
              7 vec=   -12.966938     -4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00030163084615
                2p
                   -1 :               0.00011287105605
                   +0 :              -0.00001049829777
                   +1 :               0.00008745800601
                3s
                   +0 :               0.00205868418468
                4s
                   +0 :              -0.00040791733717
                3p
                   -1 :              -0.00084523751151
                   +0 :              -0.00011770291619
                   +1 :              -0.00105728022332
                4p
                   -1 :               0.00020212029919
                   +0 :              -0.00008923403401
                   +1 :               0.00016903310093
                3d
                   -2 :               0.00027955422649
                   -1 :               0.00009124610240
                   +0 :               0.00001079738685
                   +1 :              -0.00007822436326
                   +2 :               0.00020655492712
              8 vec=   -12.966938      4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00006314888741
                2p
                   -1 :              -0.00007355354137
                   +0 :              -0.00004617074805
                   +1 :              -0.00005191244232
                3s
                   +0 :               0.00002526824910
                4s
                   +0 :              -0.00009449970801
                3p
                   -1 :               0.00046188547404
                   +0 :               0.00020164564299
                   +1 :               0.00040786546635
                4p
                   -1 :              -0.00008857255195
                   +0 :               0.00001608127693
                   +1 :              -0.00001585706444
                3d
                   -2 :              -0.00002024521032
                   -1 :               0.00014198721022
                   +0 :               0.00019660388495
                   +1 :              -0.00007910246070
                   +2 :              -0.00025519392007
              9 vec=     2.593388    -13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00019427477232
                2p
                   -1 :               0.00011330729311
                   +0 :               0.00003068718062
                   +1 :              -0.00005439672359
                3s
                   +0 :               0.00105189609411
                4s
                   +0 :              -0.00005357046976
                3p
                   -1 :              -0.00083041327737
                   +0 :              -0.00025266593483
                   +1 :               0.00035339111821
                4p
                   -1 :               0.00005535280209
                   +0 :               0.00009104921082
                   +1 :              -0.00009526954616
                3d
                   -2 :              -0.00010355970762
                   -1 :               0.00009092684678
                   +0 :              -0.00016886063160
                   +1 :              -0.00002485619925
                   +2 :              -0.00022997311645
             10 vec=     2.593388     13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00008379716798
                2p
                   -1 :              -0.00000216238043
                   +0 :              -0.00000513609640
                   +1 :               0.00006894027232
                3s
                   +0 :               0.00086792125075
                4s
                   +0 :              -0.00032145133042
                3p
                   -1 :               0.00033397530509
                   +0 :              -0.00002905947414
                   +1 :              -0.00021849232613
                4p
                   -1 :              -0.00021499054047
                   +0 :              -0.00001871562214
                   +1 :              -0.00003156519722
                3d
                   -2 :               0.00005995097248
                   -1 :              -0.00014915019507
                   +0 :               0.00017001395318
                   +1 :               0.00003510470995
                   +2 :               0.00014715894133
             11 vec=    10.373550     -8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00038542801413
                2p
                   -1 :               0.00003931751001
                   +0 :               0.00001563439418
                   +1 :               0.00017782101744
                3s
                   +0 :              -0.00292660543543
                4s
                   +0 :               0.00072936866759
                3p
                   -1 :               0.00047078052414
                   +0 :               0.00014676239033
                   +1 :              -0.00165911453037
                4p
                   -1 :              -0.00018015834279
                   +0 :               0.00010794965615
                   +1 :               0.00042996253520
                3d
                   -2 :               0.00022119103206
                   -1 :               0.00006919381005
                   +0 :              -0.00018081134003
                   +1 :               0.00018662947394
                   +2 :              -0.00001332506250
             12 vec=    10.373550      8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00025742365973
                2p
                   -1 :               0.00002202832656
                   +0 :               0.00001548356743
                   +1 :               0.00010867164667
                3s
                   +0 :              -0.00107716434320
                4s
                   +0 :               0.00014807017777
                3p
                   -1 :              -0.00013708773232
                   +0 :               0.00005102029184
                   +1 :              -0.00073853525572
                4p
                   -1 :               0.00005216335162
                   +0 :              -0.00010713048775
                   +1 :               0.00006907970754
                3d
                   -2 :              -0.00004006060233
                   -1 :               0.00006947838802
                   +0 :              -0.00002774325336
                   +1 :              -0.00009619890185
                   +2 :              -0.00017043104710
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al( 11)  npairs=  15
              1 vec=    -5.186775     -0.000000     -8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00030747116747
                2p
                   -1 :              -0.00117958879714
                   +0 :               0.00052331018157
                   +1 :               0.00037809757903
                3s
                   +0 :              -0.00623462991837
                4s
                   +0 :              -0.00051284797619
                3p
                   -1 :               0.01110988744113
                   +0 :              -0.00183876742228
                   +1 :              -0.00225117406614
                4p
                   -1 :              -0.00130368057367
                   +0 :               0.00101873239137
                   +1 :               0.00030217895329
                3d
                   -2 :               0.00037522075971
                   -1 :              -0.00179617246381
                   +0 :               0.00188647502539
                   +1 :               0.00095996311346
                   +2 :               0.00191058780132
              2 vec=     2.593388     -4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00081704206299
                2p
                   -1 :              -0.00103516880509
                   +0 :              -0.00049239641808
                   +1 :              -0.00069486929971
                3s
                   +0 :              -0.00094041600566
                4s
                   +0 :               0.00149536474452
                3p
                   -1 :               0.00284598427647
                   +0 :               0.00233268426842
                   +1 :               0.00449897702004
                4p
                   -1 :              -0.00085758171147
                   +0 :              -0.00101213290639
                   +1 :              -0.00077863451326
                3d
                   -2 :               0.00023863811938
                   -1 :              -0.00034726242360
                   +0 :              -0.00057922178387
                   +1 :              -0.00081411336015
                   +2 :               0.00020379557301
              3 vec=     2.593388      4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00112451323046
                2p
                   -1 :              -0.00017816222670
                   +0 :              -0.00003091376349
                   +1 :              -0.00003331447841
                3s
                   +0 :               0.00717504592404
                4s
                   +0 :              -0.00098251676833
                3p
                   -1 :               0.00113213353878
                   +0 :              -0.00049391684614
                   +1 :              -0.00603284859806
                4p
                   -1 :              -0.00014461922379
                   +0 :              -0.00000659948498
                   +1 :               0.00014810516727
                3d
                   -2 :              -0.00117119598916
                   -1 :               0.00046467785069
                   +0 :              -0.00130725324152
                   +1 :               0.00132771777927
                   +2 :               0.00117547572341
              4 vec=    -5.186775     -8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00088073687304
                2p
                   -1 :               0.00040729945706
                   +0 :               0.00030944499226
                   +1 :               0.00000183681193
                3s
                   +0 :               0.00355560184271
                4s
                   +0 :              -0.00112669724628
                3p
                   -1 :              -0.00250141795600
                   +0 :              -0.00138004644021
                   +1 :              -0.00020003640878
                4p
                   -1 :               0.00050010743330
                   +0 :               0.00038343523228
                   +1 :               0.00007872322113
                3d
                   -2 :               0.00021395450872
                   -1 :               0.00054595804342
                   +0 :               0.00015373436648
                   +1 :               0.00008820260228
                   +2 :              -0.00020000512173
              5 vec=    -5.186775      8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00000122074850
                2p
                   -1 :              -0.00008485031986
                   +0 :               0.00019802802375
                   +1 :               0.00014916720900
                3s
                   +0 :              -0.00185654639706
                4s
                   +0 :               0.00006207983512
                3p
                   -1 :               0.00001814184844
                   +0 :              -0.00152792384243
                   +1 :              -0.00038451048487
                4p
                   -1 :              -0.00006711244257
                   +0 :               0.00036088108771
                   +1 :               0.00026799286986
                3d
                   -2 :              -0.00017044171886
                   -1 :              -0.00033874634693
                   +0 :              -0.00041821048806
                   +1 :              -0.00012730680746
                   +2 :              -0.00021229365244
              6 vec=    10.373550      0.000000     -8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00087951612454
                2p
                   -1 :               0.00028881643521
                   +0 :              -0.00050747301600
                   +1 :               0.00050171621974
                3s
                   +0 :              -0.00169905544565
                4s
                   +0 :               0.00106461741116
                3p
                   -1 :              -0.00140139729002
                   +0 :               0.00290797028264
                   +1 :              -0.00247427624382
                4p
                   -1 :               0.00038040981933
                   +0 :              -0.00074431631999
                   +1 :               0.00066458486753
                3d
                   -2 :               0.00003239857470
                   -1 :              -0.00008303077535
                   +0 :               0.00026447612158
                   +1 :               0.00074662437430
                   +2 :              -0.00053904628529
              7 vec=   -12.966938     -4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00005635213491
                2p
                   -1 :               0.00000476014046
                   +0 :              -0.00001384871552
                   +1 :              -0.00002407749931
                3s
                   +0 :              -0.00093523400913
                4s
                   +0 :               0.00030500054081
                3p
                   -1 :               0.00004973405319
                   +0 :               0.00004150852366
                   +1 :               0.00046836524329
                4p
                   -1 :              -0.00003183529321
                   +0 :              -0.00006435737353
                   +1 :              -0.00016917812113
                3d
                   -2 :              -0.00000997492899
                   -1 :              -0.00010013950885
                   +0 :              -0.00011008455606
                   +1 :               0.00005480621113
                   +2 :              -0.00007768038986
              8 vec=   -12.966938      4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00041896907931
                2p
                   -1 :               0.00003537537814
                   +0 :              -0.00007031313254
                   +1 :              -0.00006440374263
                3s
                   +0 :              -0.00263406277628
                4s
                   +0 :               0.00049133927035
                3p
                   -1 :              -0.00033368096969
                   +0 :               0.00058541864684
                   +1 :               0.00029496627818
                4p
                   -1 :               0.00004336505240
                   +0 :              -0.00004285126076
                   +1 :              -0.00001914099278
                3d
                   -2 :               0.00003462860059
                   -1 :               0.00009362817089
                   +0 :              -0.00018904547922
                   +1 :              -0.00007859874589
                   +2 :              -0.00009403484008
              9 vec=     2.593388    -13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00005066081903
                2p
                   -1 :              -0.00004094289811
                   +0 :              -0.00003256032237
                   +1 :               0.00002026491809
                3s
                   +0 :               0.00081724593334
                4s
                   +0 :              -0.00016827818492
                3p
                   -1 :              -0.00007069399587
                   +0 :              -0.00010475990848
                   +1 :              -0.00018534340495
                4p
                   -1 :              -0.00001239734778
                   +0 :               0.00002122816473
                   +1 :               0.00006084699647
                3d
                   -2 :              -0.00005030551948
                   -1 :               0.00002131498233
                   +0 :              -0.00004608482168
                   +1 :               0.00004315632661
                   +2 :              -0.00008361133334
             10 vec=     2.593388     13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00000414301679
                2p
                   -1 :              -0.00002381883515
                   +0 :               0.00001260881600
                   +1 :              -0.00003461026161
                3s
                   +0 :               0.00014733199204
                4s
                   +0 :              -0.00005909606551
                3p
                   -1 :               0.00022913851629
                   +0 :              -0.00003039755534
                   +1 :               0.00014128582759
                4p
                   -1 :              -0.00005401803724
                   +0 :               0.00003639406436
                   +1 :              -0.00003301457793
                3d
                   -2 :               0.00000931251096
                   -1 :               0.00001041291302
                   +0 :               0.00001652522443
                   +1 :               0.00002980097809
                   +2 :              -0.00003180473611
             11 vec=    10.373550     -8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00006049515170
                2p
                   -1 :              -0.00001865098707
                   +0 :               0.00000123989953
                   +1 :              -0.00000459376157
                3s
                   +0 :               0.00078790201709
                4s
                   +0 :              -0.00024590447530
                3p
                   -1 :              -0.00014382279831
                   +0 :              -0.00001111096832
                   +1 :               0.00014945671284
                4p
                   -1 :               0.00007499442226
                   +0 :               0.00002796330917
                   +1 :              -0.00008188552968
                3d
                   -2 :              -0.00004006069057
                   -1 :              -0.00006651846496
                   +0 :               0.00009355933163
                   +1 :              -0.00005343761118
                   +2 :              -0.00003803915002
             12 vec=    10.373550      8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00036830826028
                2p
                   -1 :              -0.00007610897107
                   +0 :               0.00010287345491
                   +1 :              -0.00008816297828
                3s
                   +0 :               0.00181681684294
                4s
                   +0 :              -0.00032306108543
                3p
                   -1 :               0.00021377290449
                   +0 :              -0.00048065873836
                   +1 :               0.00028256483681
                4p
                   -1 :              -0.00005378777838
                   +0 :               0.00002162309602
                   +1 :              -0.00002743865329
                3d
                   -2 :               0.00000118856218
                   -1 :              -0.00004797140921
                   +0 :               0.00023513030090
                   +1 :              -0.00008034626796
                   +2 :              -0.00001526798109
             13 vec=    -5.186775     -0.000000     16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00010963458104
                2p
                   -1 :               0.00006771271890
                   +0 :              -0.00000950097259
                   +1 :               0.00001376070083
                3s
                   +0 :              -0.00002737165207
                4s
                   +0 :               0.00004264482015
                3p
                   -1 :              -0.00029638715320
                   +0 :               0.00008791798561
                   +1 :               0.00018740614966
                4p
                   -1 :               0.00007509127521
                   +0 :              -0.00004044031713
                   +1 :               0.00001099251203
                3d
                   -2 :               0.00002182782628
                   -1 :              -0.00007031301231
                   +0 :               0.00000622983757
                   +1 :              -0.00001459348858
                   +2 :              -0.00001898390435
             14 vec=     2.593388     -4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00004103906927
                2p
                   -1 :               0.00001779513512
                   +0 :               0.00005326967337
                   +1 :               0.00003152597769
                3s
                   +0 :              -0.00022325835437
                4s
                   +0 :               0.00005886663398
                3p
                   -1 :              -0.00025901999515
                   +0 :              -0.00042378156474
                   +1 :              -0.00004018469455
                4p
                   -1 :               0.00000693244493
                   +0 :               0.00012288748406
                   +1 :               0.00006502857486
                3d
                   -2 :              -0.00003745038585
                   -1 :              -0.00001557424423
                   +0 :              -0.00009674754382
                   +1 :              -0.00005867211971
                   +2 :               0.00001349376689
             15 vec=     2.593388      4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00006859551176
                2p
                   -1 :               0.00002736874594
                   +0 :              -0.00004376870077
                   +1 :              -0.00002058655639
                3s
                   +0 :               0.00025063000644
                4s
                   +0 :              -0.00010151145413
                3p
                   -1 :              -0.00008060412142
                   +0 :               0.00033586357913
                   +1 :               0.00010597163569
                4p
                   -1 :              -0.00000578474306
                   +0 :              -0.00008244716694
                   +1 :              -0.00002101673507
                3d
                   -2 :               0.00002031520857
                   -1 :              -0.00000477041394
                   +0 :               0.00009051770626
                   +1 :               0.00001077235958
                   +2 :               0.00004859136886
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site Al( 12)  npairs=  15
              1 vec=    -5.186775     -0.000000      9.112784   |vec|=   10.485489
                2s
                   +0 :              -0.00209869380740
                2p
                   -1 :              -0.00026330262047
                   +0 :              -0.00033738242536
                   +1 :               0.00040033324631
                3s
                   +0 :               0.01074434074844
                4s
                   +0 :              -0.00233907251522
                3p
                   -1 :               0.00236322973012
                   +0 :               0.00186387151134
                   +1 :              -0.00256353258779
                4p
                   -1 :              -0.00039297883302
                   +0 :              -0.00015808687848
                   +1 :               0.00042295128930
                3d
                   -2 :               0.00134655703062
                   -1 :              -0.00004748802726
                   +0 :              -0.00151591341580
                   +1 :              -0.00037463295833
                   +2 :              -0.00015658350113
              2 vec=     2.593388     -4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00100605794676
                2p
                   -1 :               0.00000100600896
                   +0 :               0.00010580783706
                   +1 :              -0.00053175687954
                3s
                   +0 :              -0.00110207897222
                4s
                   +0 :               0.00105281404417
                3p
                   -1 :              -0.00198757786206
                   +0 :               0.00280963300574
                   +1 :               0.00736687643377
                4p
                   -1 :               0.00070029301674
                   +0 :              -0.00017339624172
                   +1 :              -0.00095276939113
                3d
                   -2 :              -0.00082774200219
                   -1 :              -0.00081263762105
                   +0 :               0.00179965773106
                   +1 :               0.00127210973145
                   +2 :              -0.00146319547209
              3 vec=     2.593388      4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00109263586064
                2p
                   -1 :               0.00067606542185
                   +0 :               0.00023157458830
                   +1 :               0.00016318617091
                3s
                   +0 :              -0.00964226177621
                4s
                   +0 :               0.00128625847105
                3p
                   -1 :              -0.00841216054861
                   +0 :              -0.00467350451709
                   +1 :              -0.00136623797882
                4p
                   -1 :               0.00134506614962
                   +0 :               0.00033148312020
                   +1 :               0.00068189214422
                3d
                   -2 :              -0.00087215164553
                   -1 :              -0.00185618382700
                   +0 :              -0.00028374431526
                   +1 :              -0.00021390059935
                   +2 :               0.00107310871123
              4 vec=    -5.186775     -8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :              -0.00000027384253
                2p
                   -1 :              -0.00003463145090
                   +0 :               0.00017115098238
                   +1 :               0.00001776969733
                3s
                   +0 :               0.00111797980369
                4s
                   +0 :              -0.00018632485069
                3p
                   -1 :              -0.00038523825075
                   +0 :              -0.00122118233635
                   +1 :              -0.00058105268387
                4p
                   -1 :               0.00009035756147
                   +0 :               0.00025695237582
                   +1 :               0.00014978219571
                3d
                   -2 :               0.00016801833746
                   -1 :               0.00009544546402
                   +0 :               0.00009528245469
                   +1 :               0.00010738946974
                   +2 :               0.00000949240083
              5 vec=    -5.186775      8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :              -0.00044056891384
                2p
                   -1 :              -0.00014214197415
                   +0 :              -0.00016282410580
                   +1 :               0.00001817249937
                3s
                   +0 :               0.00164665398856
                4s
                   +0 :              -0.00036605254827
                3p
                   -1 :               0.00070609029693
                   +0 :               0.00088510548173
                   +1 :               0.00007096423188
                4p
                   -1 :              -0.00013377298363
                   +0 :              -0.00011003505957
                   +1 :              -0.00002616251227
                3d
                   -2 :               0.00015944241775
                   -1 :               0.00021331197280
                   +0 :               0.00011258664069
                   +1 :               0.00003258195333
                   +2 :              -0.00001743249417
              6 vec=    10.373550      0.000000      9.112784   |vec|=   13.807729
                2s
                   +0 :               0.00044084275636
                2p
                   -1 :              -0.00008803787573
                   +0 :              -0.00000832687657
                   +1 :               0.00011107794265
                3s
                   +0 :              -0.00276463379225
                4s
                   +0 :               0.00055237739896
                3p
                   -1 :               0.00072508923583
                   +0 :               0.00033607685462
                   +1 :              -0.00120016247216
                4p
                   -1 :              -0.00017408029785
                   +0 :              -0.00014691731626
                   +1 :               0.00025591258754
                3d
                   -2 :               0.00018704802066
                   -1 :               0.00008959350881
                   +0 :              -0.00020786909538
                   +1 :              -0.00003208967932
                   +2 :              -0.00001139701100
              7 vec=    -5.186775     -0.000000    -15.434758   |vec|=   16.282948
                2s
                   +0 :               0.00001525093324
                2p
                   -1 :               0.00003446550216
                   +0 :              -0.00008735678268
                   +1 :               0.00002863289007
                3s
                   +0 :              -0.00060747769888
                4s
                   +0 :               0.00015328043049
                3p
                   -1 :               0.00002034495387
                   +0 :               0.00066417302876
                   +1 :              -0.00043315828576
                4p
                   -1 :               0.00001136173889
                   +0 :              -0.00023239199990
                   +1 :               0.00005889010209
                3d
                   -2 :              -0.00004346831507
                   -1 :              -0.00008208134233
                   +0 :              -0.00006953650689
                   +1 :              -0.00000558515149
                   +2 :               0.00007003785960
              8 vec=     2.593388     -4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :               0.00001364107022
                2p
                   -1 :               0.00000927726775
                   +0 :               0.00002657125201
                   +1 :               0.00002294579530
                3s
                   +0 :               0.00036799171383
                4s
                   +0 :              -0.00002313412633
                3p
                   -1 :              -0.00001903377382
                   +0 :              -0.00029211487531
                   +1 :              -0.00007295112243
                4p
                   -1 :              -0.00001713462839
                   +0 :               0.00010803189434
                   +1 :              -0.00001864726953
                3d
                   -2 :               0.00006071282753
                   -1 :               0.00001061150822
                   +0 :              -0.00000953518308
                   +1 :               0.00001415828150
                   +2 :               0.00003979646664
              9 vec=     2.593388      4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :              -0.00002889200346
                2p
                   -1 :               0.00002679655349
                   +0 :               0.00006078553066
                   +1 :               0.00000397569181
                3s
                   +0 :               0.00023948598505
                4s
                   +0 :              -0.00013014630417
                3p
                   -1 :              -0.00031129296404
                   +0 :              -0.00037205815345
                   +1 :              -0.00028715768265
                4p
                   -1 :               0.00006426288882
                   +0 :               0.00012436010556
                   +1 :              -0.00000455716170
                3d
                   -2 :              -0.00001756755832
                   -1 :              -0.00005283323158
                   +0 :               0.00007907168997
                   +1 :               0.00008456092833
                   +2 :              -0.00003530635296
             10 vec=   -12.966938     -4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00011549145922
                2p
                   -1 :              -0.00001319924425
                   +0 :              -0.00003415651860
                   +1 :               0.00004617159142
                3s
                   +0 :               0.00117730703399
                4s
                   +0 :              -0.00024374656229
                3p
                   -1 :              -0.00004505290875
                   +0 :               0.00031498357038
                   +1 :              -0.00024943989712
                4p
                   -1 :              -0.00004884194741
                   +0 :              -0.00005541517290
                   +1 :               0.00010960725245
                3d
                   -2 :              -0.00002748858276
                   -1 :              -0.00002488892365
                   +0 :               0.00012709667477
                   +1 :              -0.00008076228229
                   +2 :               0.00003960000099
             11 vec=   -12.966938      4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00002469253073
                2p
                   -1 :               0.00001601390077
                   +0 :              -0.00003223747998
                   +1 :              -0.00005993732532
                3s
                   +0 :               0.00042316443312
                4s
                   +0 :              -0.00005316120560
                3p
                   -1 :               0.00028627912771
                   +0 :              -0.00009503315353
                   +1 :               0.00022161497099
                4p
                   -1 :              -0.00003852362830
                   +0 :               0.00001371753822
                   +1 :              -0.00008057687063
                3d
                   -2 :              -0.00001908170726
                   -1 :               0.00002951344935
                   +0 :               0.00009223958572
                   +1 :               0.00005944692613
                   +2 :              -0.00003727540887
             12 vec=     2.593388    -13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00002914156887
                2p
                   -1 :               0.00006293394113
                   +0 :              -0.00000873627966
                   +1 :              -0.00006407180433
                3s
                   +0 :              -0.00042144313382
                4s
                   +0 :              -0.00001031951454
                3p
                   -1 :               0.00001951626409
                   +0 :               0.00020551468582
                   +1 :               0.00035589494406
                4p
                   -1 :               0.00005732567556
                   +0 :              -0.00004035687345
                   +1 :              -0.00007157331306
                3d
                   -2 :              -0.00001303610447
                   -1 :              -0.00003646396683
                   +0 :              -0.00009455129432
                   +1 :               0.00005601169075
                   +2 :              -0.00000991074887
             13 vec=     2.593388     13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00004000344300
                2p
                   -1 :              -0.00001021224344
                   +0 :              -0.00001838831913
                   +1 :               0.00003504569034
                3s
                   +0 :              -0.00031447222240
                4s
                   +0 :               0.00013560952837
                3p
                   -1 :              -0.00014025032342
                   +0 :               0.00000130832069
                   +1 :              -0.00017570977852
                4p
                   -1 :               0.00003973623063
                   +0 :               0.00001564661657
                   +1 :               0.00004152213040
                3d
                   -2 :              -0.00004681987804
                   -1 :               0.00001366239838
                   +0 :               0.00003006949755
                   +1 :              -0.00003196794000
                   +2 :               0.00005424714739
             14 vec=    10.373550     -8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00007548801622
                2p
                   -1 :              -0.00002134105682
                   +0 :               0.00005254483772
                   +1 :               0.00003802182229
                3s
                   +0 :              -0.00086283481159
                4s
                   +0 :               0.00010813703392
                3p
                   -1 :              -0.00002879946036
                   +0 :              -0.00031629189107
                   +1 :              -0.00013013145834
                4p
                   -1 :              -0.00006351630370
                   +0 :               0.00003976855634
                   +1 :              -0.00000114626097
                3d
                   -2 :              -0.00004983903128
                   -1 :               0.00003664387735
                   +0 :              -0.00015716617232
                   +1 :              -0.00008975153538
                   +2 :               0.00003018218139
             15 vec=    10.373550      8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00005383409960
                2p
                   -1 :               0.00004305448480
                   +0 :               0.00004097375964
                   +1 :              -0.00002137061792
                3s
                   +0 :              -0.00000172129930
                4s
                   +0 :               0.00006348072014
                3p
                   -1 :               0.00003660782800
                   +0 :              -0.00011048153230
                   +1 :               0.00005773154085
                4p
                   -1 :               0.00000160371405
                   +0 :               0.00002663933522
                   +1 :               0.00000693284023
                3d
                   -2 :               0.00000763958485
                   -1 :              -0.00000050025763
                   +0 :               0.00000231170860
                   +1 :               0.00000059118995
                   +2 :              -0.00002882872447
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 13)  npairs=  14
              1 vec=     2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :               0.00749493359799
                2s
                   +0 :              -0.09080887484129
                3s
                   +0 :               0.00936485056772
                2p
                   -1 :               0.00239329702935
                   +0 :              -0.02878760959993
                   +1 :              -0.01298112472849
                3p
                   -1 :              -0.01151936103062
                   +0 :               0.00874739206123
                   +1 :               0.01138226528488
                3d
                   -2 :               0.00003097254829
                   -1 :              -0.00030753846763
                   +0 :              -0.00785139420867
                   +1 :              -0.00646912108830
                   +2 :              -0.00296972496384
              2 vec=    -5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :               0.00039847378092
                2s
                   +0 :              -0.00186010376133
                3s
                   +0 :               0.00197598698390
                2p
                   -1 :              -0.00183135015093
                   +0 :              -0.00193984043898
                   +1 :              -0.00197327602125
                3p
                   -1 :               0.00136499520670
                   +0 :              -0.00195279276891
                   +1 :              -0.00014869094897
                3d
                   -2 :               0.00009537099547
                   -1 :              -0.00003152880588
                   +0 :              -0.00002233506061
                   +1 :              -0.00018544407548
                   +2 :               0.00031629117670
              3 vec=    -5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00020769330742
                2s
                   +0 :              -0.00226673605638
                3s
                   +0 :               0.00211606702251
                2p
                   -1 :               0.00253737897339
                   +0 :              -0.00263575005369
                   +1 :               0.00269418651684
                3p
                   -1 :              -0.00255037600902
                   +0 :               0.00075812593470
                   +1 :              -0.00164703283978
                3d
                   -2 :               0.00019048217059
                   -1 :               0.00017509591738
                   +0 :               0.00004530432664
                   +1 :               0.00016360693505
                   +2 :              -0.00019659805701
              4 vec=     2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00048522653447
                2s
                   +0 :              -0.00469590819501
                3s
                   +0 :               0.00065449835084
                2p
                   -1 :              -0.00534768311427
                   +0 :               0.00387474486202
                   +1 :              -0.00153066389337
                3p
                   -1 :               0.00056186539162
                   +0 :              -0.00338688040086
                   +1 :               0.00115237765624
                3d
                   -2 :               0.00001365459662
                   -1 :              -0.00028986085384
                   +0 :               0.00014261276175
                   +1 :               0.00000339188547
                   +2 :               0.00025751529105
              5 vec=     2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00000123395170
                2s
                   +0 :               0.00043170202607
                3s
                   +0 :               0.00022871680263
                2p
                   -1 :               0.00046246629569
                   +0 :               0.00020494316358
                   +1 :               0.00032085397036
                3p
                   -1 :              -0.00049628251492
                   +0 :               0.00060576078210
                   +1 :              -0.00024527648466
                3d
                   -2 :              -0.00004525721098
                   -1 :              -0.00017263139628
                   +0 :               0.00010220724268
                   +1 :              -0.00003829526186
                   +2 :              -0.00004651170393
              6 vec=    10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00009751670196
                2s
                   +0 :               0.00096759737097
                3s
                   +0 :              -0.00007926723391
                2p
                   -1 :              -0.00049304909740
                   +0 :               0.00074064322467
                   +1 :               0.00092278931547
                3p
                   -1 :               0.00079512743346
                   +0 :               0.00096087791959
                   +1 :              -0.00090299469267
                3d
                   -2 :               0.00008715449842
                   -1 :               0.00017684017428
                   +0 :               0.00019734343163
                   +1 :               0.00010600582556
                   +2 :              -0.00009133406662
              7 vec=    10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :               0.00012908613008
                2s
                   +0 :              -0.00123813867492
                3s
                   +0 :               0.00050055618033
                2p
                   -1 :              -0.00000149745464
                   +0 :              -0.00140151210320
                   +1 :               0.00043813159263
                3p
                   -1 :               0.00028691603244
                   +0 :               0.00110688205068
                   +1 :              -0.00023518413595
                3d
                   -2 :              -0.00008111253157
                   -1 :              -0.00017223931680
                   +0 :               0.00008923975813
                   +1 :               0.00024502919609
                   +2 :               0.00017710005509
              8 vec=   -13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00017493046742
                2s
                   +0 :               0.00168602326725
                3s
                   +0 :              -0.00032876137899
                2p
                   -1 :               0.00043658863252
                   +0 :              -0.00077396412283
                   +1 :              -0.00127478682223
                3p
                   -1 :              -0.00006598450181
                   +0 :               0.00005682067516
                   +1 :               0.00018724879970
                3d
                   -2 :              -0.00001628248992
                   -1 :               0.00004245873463
                   +0 :              -0.00002541080659
                   +1 :              -0.00003619520125
                   +2 :               0.00007386466684
              9 vec=    -5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00012865844091
                2s
                   +0 :              -0.00078857746480
                3s
                   +0 :               0.00026084459162
                2p
                   -1 :              -0.00000362877645
                   +0 :              -0.00026936592073
                   +1 :              -0.00025996960401
                3p
                   -1 :               0.00012682874331
                   +0 :              -0.00021328685237
                   +1 :              -0.00016660389207
                3d
                   -2 :              -0.00010443656511
                   -1 :              -0.00003856662683
                   +0 :              -0.00007119582572
                   +1 :              -0.00000449524234
                   +2 :               0.00000362945213
             10 vec=   -13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :               0.00008635474286
                2s
                   +0 :              -0.00075038688277
                3s
                   +0 :               0.00016889431178
                2p
                   -1 :               0.00024620853682
                   +0 :              -0.00015678484402
                   +1 :               0.00008574558347
                3p
                   -1 :              -0.00018139378092
                   +0 :              -0.00003121591030
                   +1 :               0.00003151620914
                3d
                   -2 :              -0.00001542688185
                   -1 :              -0.00000565668632
                   +0 :              -0.00001163527642
                   +1 :              -0.00000711128719
                   +2 :               0.00000598450794
             11 vec=    -5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00003656523534
                2s
                   +0 :               0.00039503432509
                3s
                   +0 :              -0.00007353083487
                2p
                   -1 :              -0.00013376071532
                   +0 :              -0.00007927895771
                   +1 :              -0.00006540207659
                3p
                   -1 :              -0.00001353256971
                   +0 :              -0.00000249678567
                   +1 :               0.00001973714305
                3d
                   -2 :               0.00000844163130
                   -1 :               0.00000452654054
                   +0 :              -0.00001228696649
                   +1 :              -0.00000005947421
                   +2 :              -0.00000146935132
             12 vec=    10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00001062196888
                2s
                   +0 :              -0.00009316916817
                3s
                   +0 :               0.00003836574699
                2p
                   -1 :              -0.00017210489348
                   +0 :               0.00027249846833
                   +1 :              -0.00016613489870
                3p
                   -1 :               0.00009604094842
                   +0 :              -0.00007121096177
                   +1 :               0.00008003858414
                3d
                   -2 :              -0.00000711426238
                   -1 :               0.00000351327412
                   +0 :               0.00001024251342
                   +1 :              -0.00000894413599
                   +2 :              -0.00000715182158
             13 vec=   -13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00000963134660
                2s
                   +0 :               0.00017982145340
                3s
                   +0 :               0.00000573469122
                2p
                   -1 :               0.00006443787144
                   +0 :              -0.00022456905386
                   +1 :              -0.00005429642884
                3p
                   -1 :              -0.00002827553623
                   +0 :               0.00008339546600
                   +1 :              -0.00006947933775
                3d
                   -2 :              -0.00000110837105
                   -1 :               0.00000198762965
                   +0 :               0.00000301367174
                   +1 :              -0.00000332885199
                   +2 :               0.00000507880483
             14 vec=     2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00001486819437
                2s
                   +0 :               0.00010700957051
                3s
                   +0 :              -0.00006165116126
                2p
                   -1 :               0.00009126069490
                   +0 :               0.00002210219626
                   +1 :              -0.00006089894120
                3p
                   -1 :              -0.00001111584028
                   +0 :              -0.00002973319382
                   +1 :               0.00002132693768
                3d
                   -2 :               0.00000257881074
                   -1 :              -0.00000109543667
                   +0 :               0.00000370196782
                   +1 :               0.00000160133658
                   +2 :               0.00000048336303
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 14)  npairs=  14
              1 vec=    -2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :              -0.00845690851481
                2s
                   +0 :               0.10049680325477
                3s
                   +0 :              -0.01346867366152
                2p
                   -1 :               0.00144051707845
                   +0 :               0.02422279332122
                   +1 :              -0.01466121199668
                3p
                   -1 :               0.00639653314163
                   +0 :              -0.00574841796883
                   +1 :               0.01330858378035
                3d
                   -2 :              -0.00038462041968
                   -1 :              -0.00094061721333
                   +0 :               0.00733187854193
                   +1 :              -0.00562662547846
                   +2 :               0.00339422914178
              2 vec=     5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :              -0.00054853981173
                2s
                   +0 :               0.00308615743939
                3s
                   +0 :              -0.00306645510659
                2p
                   -1 :              -0.00012908478405
                   +0 :               0.00240613187446
                   +1 :              -0.00023671761771
                3p
                   -1 :               0.00029169361529
                   +0 :               0.00044863861517
                   +1 :              -0.00132713747526
                3d
                   -2 :               0.00014387231965
                   -1 :               0.00019948983587
                   +0 :              -0.00025143022673
                   +1 :              -0.00014867455714
                   +2 :               0.00000744424800
              3 vec=    -2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00050024515512
                2s
                   +0 :               0.00484781144728
                3s
                   +0 :              -0.00107886501467
                2p
                   -1 :               0.00912657996126
                   +0 :               0.00008939408539
                   +1 :              -0.00079993366421
                3p
                   -1 :              -0.00344728629150
                   +0 :              -0.00123191763424
                   +1 :               0.00021567688793
                3d
                   -2 :               0.00005460594688
                   -1 :               0.00003750585514
                   +0 :              -0.00011360233548
                   +1 :              -0.00006736892138
                   +2 :              -0.00023280276223
              4 vec=     5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00003493528295
                2s
                   +0 :              -0.00009820080702
                3s
                   +0 :              -0.00072978664725
                2p
                   -1 :              -0.00067964332983
                   +0 :               0.00056472366299
                   +1 :              -0.00062111694040
                3p
                   -1 :               0.00136069068581
                   +0 :               0.00251376301500
                   +1 :               0.00083715969950
                3d
                   -2 :               0.00014105580897
                   -1 :              -0.00033649325246
                   +0 :               0.00021981362037
                   +1 :               0.00040531443920
                   +2 :               0.00033620961907
              5 vec=   -10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00003853148376
                2s
                   +0 :              -0.00069640791742
                3s
                   +0 :               0.00013069629289
                2p
                   -1 :               0.00067651073160
                   +0 :              -0.00052637742498
                   +1 :               0.00043609750360
                3p
                   -1 :              -0.00059943608493
                   +0 :              -0.00058714968212
                   +1 :              -0.00067282571222
                3d
                   -2 :               0.00002073959928
                   -1 :              -0.00012513353203
                   +0 :              -0.00011001651864
                   +1 :               0.00010382227000
                   +2 :               0.00005308087621
              6 vec=    -2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00007470004176
                2s
                   +0 :               0.00079352208193
                3s
                   +0 :              -0.00024626965247
                2p
                   -1 :              -0.00036673765188
                   +0 :              -0.00040371709297
                   +1 :              -0.00017609813401
                3p
                   -1 :               0.00000550517290
                   +0 :              -0.00029482743828
                   +1 :               0.00026431719295
                3d
                   -2 :              -0.00000174781658
                   -1 :               0.00005990160893
                   +0 :              -0.00007841388374
                   +1 :               0.00004970983880
                   +2 :              -0.00006553279394
              7 vec=   -10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :              -0.00018080444761
                2s
                   +0 :               0.00166908318372
                3s
                   +0 :              -0.00052844818985
                2p
                   -1 :              -0.00026213228822
                   +0 :               0.00057934635668
                   +1 :               0.00006837877838
                3p
                   -1 :               0.00016802252103
                   +0 :              -0.00046415090741
                   +1 :              -0.00009452109560
                3d
                   -2 :              -0.00013029216876
                   -1 :               0.00009528726762
                   +0 :              -0.00010333457170
                   +1 :               0.00014716594720
                   +2 :              -0.00002127307552
              8 vec=     5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00006470622704
                2s
                   +0 :              -0.00038325814020
                3s
                   +0 :               0.00016115474213
                2p
                   -1 :              -0.00067217284240
                   +0 :              -0.00000638431557
                   +1 :               0.00013491506804
                3p
                   -1 :               0.00035283541735
                   +0 :               0.00020796145069
                   +1 :              -0.00031659054750
                3d
                   -2 :              -0.00004794024487
                   -1 :               0.00000269536069
                   +0 :               0.00001042963469
                   +1 :              -0.00000732107111
                   +2 :              -0.00001959206188
              9 vec=    13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00009422594058
                2s
                   +0 :              -0.00111388664944
                3s
                   +0 :               0.00024159512482
                2p
                   -1 :              -0.00045988140701
                   +0 :               0.00072577139132
                   +1 :              -0.00102678965827
                3p
                   -1 :              -0.00009152762150
                   +0 :               0.00013265001158
                   +1 :               0.00024916501142
                3d
                   -2 :              -0.00003902916534
                   -1 :              -0.00002102016141
                   +0 :               0.00006010257293
                   +1 :               0.00000182696048
                   +2 :              -0.00007482243825
             10 vec=    13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00006366116522
                2s
                   +0 :               0.00049992354440
                3s
                   +0 :              -0.00012444863716
                2p
                   -1 :              -0.00002680474861
                   +0 :               0.00017848587741
                   +1 :              -0.00025107935791
                3p
                   -1 :               0.00004031163044
                   +0 :               0.00003660244462
                   +1 :               0.00021680340518
                3d
                   -2 :              -0.00000237874632
                   -1 :              -0.00000542171509
                   +0 :               0.00001865533989
                   +1 :               0.00000505358141
                   +2 :               0.00000193420248
             11 vec=   -10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00004982967348
                2s
                   +0 :              -0.00058713802032
                3s
                   +0 :               0.00002337783797
                2p
                   -1 :              -0.00016716176454
                   +0 :              -0.00023483961720
                   +1 :               0.00005053204261
                3p
                   -1 :               0.00001689818099
                   +0 :              -0.00005418454347
                   +1 :              -0.00005361209474
                3d
                   -2 :               0.00002315433056
                   -1 :              -0.00000449892512
                   +0 :              -0.00001131385642
                   +1 :               0.00000916839933
                   +2 :               0.00001754045320
             12 vec=     5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00001049017031
                2s
                   +0 :               0.00013921000673
                3s
                   +0 :               0.00001396723666
                2p
                   -1 :               0.00006543027178
                   +0 :               0.00021192124968
                   +1 :               0.00003093896217
                3p
                   -1 :              -0.00005794112333
                   +0 :              -0.00002920553217
                   +1 :               0.00009641946633
                3d
                   -2 :              -0.00001083877188
                   -1 :              -0.00001813047900
                   +0 :               0.00001219315467
                   +1 :              -0.00000801332029
                   +2 :              -0.00000505992179
             13 vec=    -2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00002920322254
                2s
                   +0 :              -0.00031565675314
                3s
                   +0 :               0.00003724936043
                2p
                   -1 :              -0.00019621601262
                   +0 :              -0.00008861656426
                   +1 :              -0.00018495291454
                3p
                   -1 :               0.00002274778505
                   +0 :               0.00002510881697
                   +1 :               0.00013383555190
                3d
                   -2 :               0.00001080554210
                   -1 :               0.00000576602073
                   +0 :               0.00000032330634
                   +1 :              -0.00000118355305
                   +2 :               0.00000198234774
             14 vec=    13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00002251485802
                2s
                   +0 :              -0.00027032292816
                3s
                   +0 :               0.00009039053169
                2p
                   -1 :              -0.00001845895759
                   +0 :               0.00006865153352
                   +1 :              -0.00021888482765
                3p
                   -1 :              -0.00002331973894
                   +0 :               0.00012991038802
                   +1 :               0.00005239644486
                3d
                   -2 :              -0.00000383687824
                   -1 :              -0.00000634734618
                   +0 :              -0.00000409205581
                   +1 :               0.00000351823875
                   +2 :               0.00000154546800
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 15)  npairs=  14
              1 vec=     0.000000      2.752623      2.510723   |vec|=    3.725676
                1s
                   +0 :               0.00096197491683
                2s
                   +0 :              -0.00968792841347
                3s
                   +0 :               0.00410382309380
                2p
                   -1 :               0.00046190879907
                   +0 :               0.00456481627870
                   +1 :              -0.01299603672089
                3p
                   -1 :              -0.00089317319164
                   +0 :              -0.00299897409240
                   +1 :              -0.00317019495207
                3d
                   -2 :              -0.00568816985968
                   -1 :               0.00010554476022
                   +0 :               0.00051951566674
                   +1 :              -0.00549961100700
                   +2 :              -0.00014766197892
              2 vec=     0.000000     -6.231135      2.510723   |vec|=    6.717944
                1s
                   +0 :               0.00015006603081
                2s
                   +0 :              -0.00122605367806
                3s
                   +0 :               0.00109046812268
                2p
                   -1 :               0.00052368622514
                   +0 :              -0.00046629143547
                   +1 :              -0.00257920187119
                3p
                   -1 :              -0.00019222021776
                   +0 :               0.00150415415374
                   +1 :               0.00019159223197
                3d
                   -2 :               0.00038709094370
                   -1 :               0.00011582385196
                   +0 :               0.00027376528734
                   +1 :              -0.00036712732881
                   +2 :               0.00020387109120
              3 vec=    -7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00045029125153
                2s
                   +0 :               0.00479410900202
                3s
                   +0 :               0.00007528829641
                2p
                   -1 :              -0.00222597245484
                   +0 :              -0.00443946852501
                   +1 :              -0.00511853145608
                3p
                   -1 :               0.00068829128045
                   +0 :               0.00087311738586
                   +1 :               0.00030296567991
                3d
                   -2 :               0.00000920391559
                   -1 :               0.00003489808873
                   +0 :              -0.00036242638211
                   +1 :               0.00024473800418
                   +2 :               0.00040719514143
              4 vec=     7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00029255184770
                2s
                   +0 :              -0.00258107539091
                3s
                   +0 :              -0.00103720200784
                2p
                   -1 :               0.00280598262666
                   +0 :               0.00254635596830
                   +1 :              -0.00475928901982
                3p
                   -1 :              -0.00138567720618
                   +0 :               0.00047379169954
                   +1 :               0.00006106911362
                3d
                   -2 :               0.00015389825320
                   -1 :              -0.00009373007308
                   +0 :               0.00006829800884
                   +1 :               0.00016727549605
                   +2 :              -0.00033237267112
              5 vec=    -7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00017221674372
                2s
                   +0 :              -0.00176111945290
                3s
                   +0 :               0.00032553688637
                2p
                   -1 :              -0.00138155782178
                   +0 :              -0.00033692613170
                   +1 :               0.00026395667013
                3p
                   -1 :               0.00141123805027
                   +0 :              -0.00066605048131
                   +1 :               0.00036449418718
                3d
                   -2 :               0.00002035878333
                   -1 :               0.00006961713694
                   +0 :              -0.00011892954789
                   +1 :               0.00017912960045
                   +2 :              -0.00015542509353
              6 vec=     7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00003976543546
                2s
                   +0 :               0.00026470589135
                3s
                   +0 :              -0.00035941309552
                2p
                   -1 :               0.00066929234105
                   +0 :               0.00032143426141
                   +1 :               0.00019310781794
                3p
                   -1 :              -0.00091812779237
                   +0 :              -0.00001861109998
                   +1 :              -0.00036971748632
                3d
                   -2 :              -0.00009850851028
                   -1 :              -0.00002580507124
                   +0 :               0.00000780927596
                   +1 :              -0.00000837085301
                   +2 :               0.00006043950040
              7 vec=     0.000000     11.736381      2.510723   |vec|=   12.001932
                1s
                   +0 :               0.00005171831753
                2s
                   +0 :              -0.00043094450880
                3s
                   +0 :               0.00002789200952
                2p
                   -1 :              -0.00045203020169
                   +0 :               0.00082216574651
                   +1 :               0.00047897157250
                3p
                   -1 :               0.00034928704305
                   +0 :              -0.00064273114327
                   +1 :              -0.00006188781454
                3d
                   -2 :               0.00006609382037
                   -1 :              -0.00012322808423
                   +0 :               0.00001409481358
                   +1 :              -0.00003558724665
                   +2 :               0.00003532267463
              8 vec=    -7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00022288438149
                2s
                   +0 :               0.00190246411424
                3s
                   +0 :              -0.00050243971644
                2p
                   -1 :              -0.00089584073885
                   +0 :              -0.00045640547060
                   +1 :              -0.00024825326254
                3p
                   -1 :               0.00037771699343
                   +0 :               0.00008063684079
                   +1 :               0.00023038271868
                3d
                   -2 :              -0.00000379153518
                   -1 :              -0.00002431820587
                   +0 :               0.00001109325279
                   +1 :              -0.00001652982573
                   +2 :               0.00002104797674
              9 vec=     7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00011022424038
                2s
                   +0 :              -0.00130276512705
                3s
                   +0 :               0.00016760663687
                2p
                   -1 :               0.00110304554380
                   +0 :               0.00078034843840
                   +1 :               0.00039027972692
                3p
                   -1 :              -0.00029291221632
                   +0 :              -0.00026478212585
                   +1 :              -0.00042737956351
                3d
                   -2 :               0.00004882453383
                   -1 :               0.00004758277788
                   +0 :               0.00001498117190
                   +1 :               0.00001267795580
                   +2 :              -0.00000028011753
             10 vec=     0.000000    -15.214893      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00002269357764
                2s
                   +0 :               0.00025046333838
                3s
                   +0 :              -0.00004444567462
                2p
                   -1 :              -0.00018199706175
                   +0 :              -0.00002170103339
                   +1 :               0.00015376955353
                3p
                   -1 :               0.00008992234353
                   +0 :              -0.00000538653432
                   +1 :              -0.00006784271123
                3d
                   -2 :              -0.00000539514666
                   -1 :               0.00000499588454
                   +0 :              -0.00000702006347
                   +1 :              -0.00000123234394
                   +2 :               0.00001525937205
             11 vec=   -15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00000013179858
                2s
                   +0 :              -0.00004604083856
                3s
                   +0 :              -0.00005233298365
                2p
                   -1 :               0.00011733365908
                   +0 :              -0.00048441971801
                   +1 :              -0.00027330945567
                3p
                   -1 :               0.00003323617266
                   +0 :               0.00010041649393
                   +1 :               0.00022158141110
                3d
                   -2 :              -0.00001078815550
                   -1 :              -0.00000650249239
                   +0 :              -0.00002243566809
                   +1 :               0.00001026531190
                   +2 :              -0.00000933139153
             12 vec=    15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00001326443813
                2s
                   +0 :               0.00019210369523
                3s
                   +0 :               0.00005015299690
                2p
                   -1 :              -0.00005005934755
                   +0 :               0.00031411857491
                   +1 :               0.00002149114015
                3p
                   -1 :              -0.00006183949763
                   +0 :               0.00005668132914
                   +1 :              -0.00004329127901
                3d
                   -2 :              -0.00000066499270
                   -1 :               0.00000800538062
                   +0 :               0.00002360082291
                   +1 :               0.00001237074510
                   +2 :               0.00002077712226
             13 vec=   -15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00000764666365
                2s
                   +0 :               0.00016331335765
                3s
                   +0 :              -0.00002873937043
                2p
                   -1 :              -0.00010041892245
                   +0 :              -0.00009075372978
                   +1 :              -0.00004487187807
                3p
                   -1 :               0.00000968919289
                   +0 :              -0.00010017719420
                   +1 :               0.00004743057754
                3d
                   -2 :              -0.00000154884364
                   -1 :              -0.00000206130545
                   +0 :               0.00000039008799
                   +1 :               0.00000710807472
                   +2 :              -0.00000454173412
             14 vec=    15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00001957187594
                2s
                   +0 :               0.00013583529974
                3s
                   +0 :              -0.00004298405165
                2p
                   -1 :              -0.00017904090638
                   +0 :               0.00031318561813
                   +1 :               0.00010610821351
                3p
                   -1 :               0.00017331198382
                   +0 :              -0.00010850428297
                   +1 :              -0.00001200938534
                3d
                   -2 :               0.00000753019602
                   -1 :               0.00000573470857
                   +0 :              -0.00000333697808
                   +1 :              -0.00000552838518
                   +2 :               0.00001384832773
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 16)  npairs=  13
              1 vec=    -2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :               0.00057484002744
                2s
                   +0 :              -0.00575107983842
                3s
                   +0 :               0.00103958465055
                2p
                   -1 :               0.00115909375273
                   +0 :               0.00224867074380
                   +1 :              -0.00287234258422
                3p
                   -1 :              -0.00013867071452
                   +0 :              -0.00034119184211
                   +1 :               0.00073016482270
                3d
                   -2 :              -0.00002722191878
                   -1 :              -0.00008487487760
                   +0 :              -0.00004076045629
                   +1 :               0.00008554579507
                   +2 :              -0.00001358737477
              2 vec=     5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :              -0.00004280371482
                2s
                   +0 :               0.00098465884509
                3s
                   +0 :               0.00007237614070
                2p
                   -1 :              -0.00060017299689
                   +0 :               0.00136831234600
                   +1 :              -0.00130446237858
                3p
                   -1 :               0.00051657872391
                   +0 :              -0.00140512792664
                   +1 :               0.00129427971961
                3d
                   -2 :              -0.00005238286347
                   -1 :              -0.00005863434285
                   +0 :               0.00004179758582
                   +1 :              -0.00011083891590
                   +2 :               0.00002424163366
              3 vec=    -2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00022251149276
                2s
                   +0 :               0.00257192362284
                3s
                   +0 :              -0.00018341785914
                2p
                   -1 :              -0.00074437873520
                   +0 :              -0.00191808508366
                   +1 :              -0.00074453548030
                3p
                   -1 :               0.00006344036553
                   +0 :               0.00026917167302
                   +1 :              -0.00030504604029
                3d
                   -2 :               0.00006884415483
                   -1 :               0.00010154975500
                   +0 :               0.00006759592821
                   +1 :               0.00015102791528
                   +2 :               0.00000210766195
              4 vec=     5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00082944019183
                2s
                   +0 :               0.00905969647240
                3s
                   +0 :              -0.00142486876564
                2p
                   -1 :               0.00291417113647
                   +0 :              -0.00430593565888
                   +1 :              -0.00036575700503
                3p
                   -1 :              -0.00069282162279
                   +0 :               0.00067451891321
                   +1 :               0.00019234739312
                3d
                   -2 :               0.00004207241719
                   -1 :              -0.00022087459883
                   +0 :               0.00018178433459
                   +1 :               0.00002090629327
                   +2 :              -0.00017890186688
              5 vec=   -10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00014484355984
                2s
                   +0 :              -0.00157777844008
                3s
                   +0 :               0.00017046804841
                2p
                   -1 :               0.00098198670816
                   +0 :              -0.00007885097417
                   +1 :               0.00022667543085
                3p
                   -1 :              -0.00011328246607
                   +0 :               0.00026270424545
                   +1 :               0.00003462202855
                3d
                   -2 :              -0.00004243789262
                   -1 :               0.00000176858883
                   +0 :              -0.00002829670945
                   +1 :              -0.00004954637021
                   +2 :               0.00004087243805
              6 vec=    -2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00013898281886
                2s
                   +0 :              -0.00149586795903
                3s
                   +0 :               0.00017197581155
                2p
                   -1 :              -0.00040319445993
                   +0 :               0.00029197451962
                   +1 :              -0.00064303266288
                3p
                   -1 :              -0.00018953801094
                   +0 :              -0.00002841790899
                   +1 :               0.00002213865215
                3d
                   -2 :              -0.00003497800325
                   -1 :               0.00000793835925
                   +0 :              -0.00001863764928
                   +1 :               0.00001590768639
                   +2 :               0.00004493689437
              7 vec=    -2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :              -0.00003169769791
                2s
                   +0 :               0.00007647369633
                3s
                   +0 :              -0.00011588014509
                2p
                   -1 :              -0.00038631805135
                   +0 :               0.00005814144165
                   +1 :               0.00033745089956
                3p
                   -1 :               0.00025885427322
                   +0 :              -0.00019003637166
                   +1 :              -0.00017038851878
                3d
                   -2 :              -0.00001285885120
                   -1 :               0.00002023913270
                   +0 :              -0.00003626027624
                   +1 :              -0.00000188285531
                   +2 :               0.00001873795013
              8 vec=   -10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00014936592436
                2s
                   +0 :              -0.00194888122247
                3s
                   +0 :               0.00015509308732
                2p
                   -1 :              -0.00064579606907
                   +0 :               0.00076950587837
                   +1 :               0.00054172704003
                3p
                   -1 :               0.00020813756786
                   +0 :              -0.00015181606872
                   +1 :               0.00001169511818
                3d
                   -2 :              -0.00003671499352
                   -1 :              -0.00002404254429
                   +0 :              -0.00001131393864
                   +1 :              -0.00006316512068
                   +2 :              -0.00000047243528
              9 vec=     5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :               0.00007557844234
                2s
                   +0 :              -0.00078865366868
                3s
                   +0 :               0.00007867955662
                2p
                   -1 :               0.00018704046023
                   +0 :              -0.00051615239973
                   +1 :               0.00015290734113
                3p
                   -1 :              -0.00028889557199
                   +0 :               0.00008402585567
                   +1 :              -0.00007904011900
                3d
                   -2 :              -0.00000614722453
                   -1 :              -0.00003313998203
                   +0 :               0.00000617144249
                   +1 :              -0.00000623673029
                   +2 :               0.00001078623876
             10 vec=     5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00004632630382
                2s
                   +0 :               0.00052876055197
                3s
                   +0 :              -0.00006633753957
                2p
                   -1 :              -0.00014608529281
                   +0 :              -0.00003767782967
                   +1 :               0.00009775589076
                3p
                   -1 :              -0.00003961907792
                   +0 :               0.00000780147230
                   +1 :               0.00002788486843
                3d
                   -2 :              -0.00001198205947
                   -1 :              -0.00000719580720
                   +0 :              -0.00000453452447
                   +1 :               0.00000130763178
                   +2 :              -0.00000295811990
             11 vec=    13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00015220232558
                2s
                   +0 :               0.00135627066142
                3s
                   +0 :              -0.00019012131787
                2p
                   -1 :               0.00000140358423
                   +0 :              -0.00011140520391
                   +1 :               0.00088443667495
                3p
                   -1 :              -0.00007470295938
                   +0 :               0.00001083860533
                   +1 :              -0.00040565865310
                3d
                   -2 :               0.00001045601322
                   -1 :               0.00001284302980
                   +0 :               0.00001226478239
                   +1 :               0.00000154246212
                   +2 :               0.00002297464251
             12 vec=    -2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00007224920802
                2s
                   +0 :               0.00056646216031
                3s
                   +0 :              -0.00011816110366
                2p
                   -1 :              -0.00031553184413
                   +0 :               0.00009754907727
                   +1 :               0.00065118704969
                3p
                   -1 :               0.00018180095283
                   +0 :               0.00018814427124
                   +1 :              -0.00012632383740
                3d
                   -2 :              -0.00000013343397
                   -1 :               0.00000700557914
                   +0 :               0.00003825763810
                   +1 :               0.00001610488380
                   +2 :              -0.00001155963278
             13 vec=     5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00000675549507
                2s
                   +0 :              -0.00001167233397
                3s
                   +0 :              -0.00001960881043
                2p
                   -1 :              -0.00026671628877
                   +0 :              -0.00000307333886
                   +1 :               0.00040195278891
                3p
                   -1 :               0.00006724793496
                   +0 :              -0.00000537753018
                   +1 :              -0.00016830228077
                3d
                   -2 :               0.00000389942700
                   -1 :              -0.00001074450179
                   +0 :               0.00001762496562
                   +1 :               0.00000470353095
                   +2 :               0.00001605874794
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 17)  npairs=  13
              1 vec=     2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :              -0.00050065092930
                2s
                   +0 :               0.00416986080376
                3s
                   +0 :              -0.00131265122161
                2p
                   -1 :              -0.00025488098072
                   +0 :              -0.00189029219928
                   +1 :              -0.00125355987020
                3p
                   -1 :               0.00015416226620
                   +0 :               0.00074326938816
                   +1 :              -0.00047651913326
                3d
                   -2 :               0.00007848698970
                   -1 :               0.00000130699513
                   +0 :              -0.00010072049152
                   +1 :               0.00014724910057
                   +2 :              -0.00000783913920
              2 vec=    -5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :               0.00000081614791
                2s
                   +0 :              -0.00048652022777
                3s
                   +0 :              -0.00007891502531
                2p
                   -1 :              -0.00050320179198
                   +0 :              -0.00134352028391
                   +1 :              -0.00082960568226
                3p
                   -1 :               0.00111406296014
                   +0 :               0.00126819604064
                   +1 :               0.00038822909288
                3d
                   -2 :              -0.00000506595823
                   -1 :              -0.00009520251010
                   +0 :              -0.00004064636486
                   +1 :              -0.00001533394709
                   +2 :              -0.00005492917630
              3 vec=    -5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00047724085892
                2s
                   +0 :              -0.00588656486981
                3s
                   +0 :               0.00030869537229
                2p
                   -1 :              -0.00286758139530
                   +0 :               0.00274488886876
                   +1 :              -0.00071458789283
                3p
                   -1 :               0.00026645679911
                   +0 :               0.00022863825864
                   +1 :               0.00015118359246
                3d
                   -2 :               0.00000058049179
                   -1 :               0.00030786599128
                   +0 :              -0.00009638776294
                   +1 :               0.00004215837126
                   +2 :               0.00018397240877
              4 vec=     2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00024504603862
                2s
                   +0 :               0.00235263508438
                3s
                   +0 :              -0.00050096966350
                2p
                   -1 :              -0.00081555440871
                   +0 :              -0.00110600255346
                   +1 :               0.00085789059087
                3p
                   -1 :               0.00053100821564
                   +0 :               0.00057715485561
                   +1 :              -0.00036329546066
                3d
                   -2 :               0.00000743751050
                   -1 :               0.00000080924311
                   +0 :              -0.00006987276243
                   +1 :              -0.00001159243941
                   +2 :               0.00005730005232
              5 vec=     2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00003652495800
                2s
                   +0 :               0.00039990101379
                3s
                   +0 :              -0.00004135230276
                2p
                   -1 :               0.00018695586282
                   +0 :               0.00020740296252
                   +1 :              -0.00058055558823
                3p
                   -1 :               0.00003602290693
                   +0 :              -0.00003040865967
                   +1 :              -0.00001549407455
                3d
                   -2 :              -0.00003296606827
                   -1 :               0.00001925406150
                   +0 :              -0.00000338870424
                   +1 :              -0.00001896282083
                   +2 :              -0.00000727479500
              6 vec=    10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00009671201926
                2s
                   +0 :               0.00122082553662
                3s
                   +0 :               0.00001866119452
                2p
                   -1 :               0.00010880891939
                   +0 :               0.00028992383331
                   +1 :               0.00009166846717
                3p
                   -1 :              -0.00047345904947
                   +0 :              -0.00059818361083
                   +1 :               0.00024382952959
                3d
                   -2 :              -0.00006490471118
                   -1 :               0.00002163725462
                   +0 :               0.00003607882171
                   +1 :              -0.00002745370200
                   +2 :              -0.00002136744174
              7 vec=     2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :              -0.00002911031603
                2s
                   +0 :               0.00025481449617
                3s
                   +0 :              -0.00005648199851
                2p
                   -1 :              -0.00023792724350
                   +0 :               0.00016462043966
                   +1 :               0.00038317380587
                3p
                   -1 :               0.00000709780227
                   +0 :              -0.00007973085433
                   +1 :              -0.00013245714304
                3d
                   -2 :              -0.00002342474887
                   -1 :              -0.00002602478907
                   +0 :               0.00000671615346
                   +1 :               0.00000123184681
                   +2 :               0.00000346054691
              8 vec=    10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :              -0.00016311159618
                2s
                   +0 :               0.00175880515117
                3s
                   +0 :              -0.00024852774425
                2p
                   -1 :               0.00045563773597
                   +0 :              -0.00067964976983
                   +1 :               0.00056209697350
                3p
                   -1 :              -0.00005264825683
                   +0 :               0.00016850827086
                   +1 :              -0.00017843665494
                3d
                   -2 :              -0.00002320798232
                   -1 :              -0.00007034812065
                   +0 :               0.00000532783021
                   +1 :               0.00000674258688
                   +2 :              -0.00002559317048
              9 vec=    -5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :              -0.00005297367633
                2s
                   +0 :               0.00057661653229
                3s
                   +0 :              -0.00006721133559
                2p
                   -1 :               0.00044743551599
                   +0 :               0.00062309993619
                   +1 :              -0.00017260200005
                3p
                   -1 :              -0.00027063758494
                   +0 :              -0.00031016400423
                   +1 :               0.00024846214480
                3d
                   -2 :              -0.00001509572186
                   -1 :               0.00000701282269
                   +0 :              -0.00001866782957
                   +1 :               0.00001138594727
                   +2 :               0.00001105827257
             10 vec=   -13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00017314513698
                2s
                   +0 :              -0.00186986062641
                3s
                   +0 :               0.00026302409541
                2p
                   -1 :               0.00007874216887
                   +0 :               0.00012196426282
                   +1 :               0.00077760534864
                3p
                   -1 :               0.00001852127017
                   +0 :              -0.00011381802215
                   +1 :              -0.00001943892272
                3d
                   -2 :               0.00000874330643
                   -1 :               0.00001604321365
                   +0 :               0.00001928399645
                   +1 :               0.00002074199228
                   +2 :              -0.00003749411944
             11 vec=    -5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00000592415671
                2s
                   +0 :               0.00016276165200
                3s
                   +0 :              -0.00004180880249
                2p
                   -1 :               0.00008318663338
                   +0 :              -0.00007048670057
                   +1 :               0.00015943413369
                3p
                   -1 :              -0.00015797070947
                   +0 :               0.00010715846563
                   +1 :              -0.00013116982399
                3d
                   -2 :              -0.00000207992199
                   -1 :              -0.00001526495847
                   +0 :              -0.00000801929719
                   +1 :              -0.00000953646330
                   +2 :              -0.00000132578161
             12 vec=    -5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00007695903027
                2s
                   +0 :               0.00091211001219
                3s
                   +0 :              -0.00009103512587
                2p
                   -1 :               0.00051344849233
                   +0 :               0.00041483351616
                   +1 :               0.00024608654947
                3p
                   -1 :              -0.00015066300052
                   +0 :              -0.00004385130679
                   +1 :              -0.00006232263150
                3d
                   -2 :               0.00001247250088
                   -1 :               0.00002106459626
                   +0 :               0.00002168352158
                   +1 :               0.00000991405849
                   +2 :              -0.00002179011552
             13 vec=     2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00017385875058
                2s
                   +0 :              -0.00165475522926
                3s
                   +0 :               0.00031502601211
                2p
                   -1 :               0.00009724214900
                   +0 :              -0.00098065631078
                   +1 :               0.00069784327651
                3p
                   -1 :               0.00006425679397
                   +0 :               0.00031893784884
                   +1 :              -0.00035347601703
                3d
                   -2 :               0.00000773667462
                   -1 :               0.00002339254160
                   +0 :              -0.00001927391820
                   +1 :              -0.00001574990083
                   +2 :              -0.00000698829541
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 18)  npairs=  13
              1 vec=     0.000000     -2.752623     -9.763049   |vec|=   10.143671
                1s
                   +0 :              -0.00007418909813
                2s
                   +0 :               0.00158121903466
                3s
                   +0 :               0.00027306657106
                2p
                   -1 :               0.00185401333955
                   +0 :              -0.00035837854453
                   +1 :              -0.00083841318773
                3p
                   -1 :              -0.00103727318436
                   +0 :              -0.00040207754605
                   +1 :              -0.00012677795565
                3d
                   -2 :               0.00002065441743
                   -1 :               0.00001165268882
                   +0 :               0.00014148094780
                   +1 :               0.00004176175668
                   +2 :               0.00008083334316
              2 vec=     0.000000      6.231135     -9.763049   |vec|=   11.582062
                1s
                   +0 :               0.00004198756691
                2s
                   +0 :              -0.00049813861732
                3s
                   +0 :               0.00000653888460
                2p
                   -1 :              -0.00014044943226
                   +0 :              -0.00002479206209
                   +1 :              -0.00115101355731
                3p
                   -1 :               0.00003065798216
                   +0 :               0.00013693188600
                   +1 :               0.00032381787931
                3d
                   -2 :               0.00003983952181
                   -1 :               0.00000579130270
                   +0 :              -0.00000115122096
                   +1 :              -0.00003141746969
                   +2 :               0.00002563387064
              3 vec=    -7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00107448623045
                2s
                   +0 :              -0.01141233155678
                3s
                   +0 :               0.00192583842914
                2p
                   -1 :               0.00210901826720
                   +0 :               0.00541193821234
                   +1 :               0.00347610386418
                3p
                   -1 :              -0.00056210753038
                   +0 :              -0.00125167376882
                   +1 :              -0.00114534176376
                3d
                   -2 :              -0.00017980189861
                   -1 :              -0.00013817740596
                   +0 :              -0.00011191157216
                   +1 :              -0.00018732691180
                   +2 :              -0.00009079561633
              4 vec=     7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00025472936616
                2s
                   +0 :               0.00331464124697
                3s
                   +0 :              -0.00012527751315
                2p
                   -1 :              -0.00178004469372
                   +0 :              -0.00082680378510
                   +1 :               0.00110918575446
                3p
                   -1 :               0.00056005503424
                   +0 :              -0.00049780993166
                   +1 :              -0.00025274861279
                3d
                   -2 :              -0.00012278716748
                   -1 :               0.00011042408232
                   +0 :               0.00002879183473
                   +1 :              -0.00008208195856
                   +2 :               0.00003392196901
              5 vec=    -7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00004227079960
                2s
                   +0 :               0.00027504242241
                3s
                   +0 :              -0.00019063700608
                2p
                   -1 :               0.00048907707255
                   +0 :              -0.00058189835294
                   +1 :              -0.00071909003118
                3p
                   -1 :              -0.00013950859855
                   +0 :               0.00062660151982
                   +1 :               0.00037886692290
                3d
                   -2 :               0.00000747988224
                   -1 :              -0.00002276425696
                   +0 :              -0.00001744117243
                   +1 :              -0.00001763659920
                   +2 :              -0.00001413256300
              6 vec=     7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00010831860184
                2s
                   +0 :               0.00117787742629
                3s
                   +0 :              -0.00012911574564
                2p
                   -1 :              -0.00011461128375
                   +0 :              -0.00012855198834
                   +1 :               0.00051157683017
                3p
                   -1 :              -0.00008203159799
                   +0 :              -0.00023229558578
                   +1 :              -0.00011973826894
                3d
                   -2 :               0.00000399474650
                   -1 :               0.00003699745587
                   +0 :               0.00003168541369
                   +1 :              -0.00004939745905
                   +2 :               0.00002500166204
              7 vec=     0.000000     -2.752623     14.784494   |vec|=   15.038557
                1s
                   +0 :               0.00006080801394
                2s
                   +0 :              -0.00033128819250
                3s
                   +0 :               0.00017236214361
                2p
                   -1 :              -0.00027252544903
                   +0 :              -0.00022276188131
                   +1 :               0.00023180214343
                3p
                   -1 :               0.00016582557273
                   +0 :               0.00026976722599
                   +1 :               0.00006660466850
                3d
                   -2 :              -0.00000491118075
                   -1 :              -0.00000019541703
                   +0 :               0.00002954412279
                   +1 :               0.00003974022728
                   +2 :               0.00000194891272
              8 vec=     0.000000    -11.736381     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00001374567182
                2s
                   +0 :               0.00019007607130
                3s
                   +0 :               0.00009343465693
                2p
                   -1 :              -0.00007743828669
                   +0 :              -0.00008985610854
                   +1 :              -0.00040195764898
                3p
                   -1 :              -0.00008691429007
                   +0 :              -0.00001669220214
                   +1 :               0.00014247638075
                3d
                   -2 :              -0.00000820629307
                   -1 :               0.00001334651819
                   +0 :               0.00000598610842
                   +1 :               0.00001189053856
                   +2 :              -0.00000133538805
              9 vec=     0.000000      6.231135     14.784494   |vec|=   16.043949
                1s
                   +0 :              -0.00002260476601
                2s
                   +0 :               0.00021203713639
                3s
                   +0 :              -0.00001146822103
                2p
                   -1 :               0.00003533862948
                   +0 :              -0.00010694753646
                   +1 :              -0.00023535606276
                3p
                   -1 :               0.00000385870178
                   +0 :               0.00022613814856
                   +1 :               0.00006889913229
                3d
                   -2 :              -0.00001085706139
                   -1 :               0.00000219810678
                   +0 :               0.00001249638709
                   +1 :              -0.00003219874042
                   +2 :               0.00000317262965
             10 vec=    -7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00015812648229
                2s
                   +0 :              -0.00151903231342
                3s
                   +0 :               0.00023193012035
                2p
                   -1 :              -0.00058557550973
                   +0 :               0.00018189190448
                   +1 :               0.00045110920616
                3p
                   -1 :               0.00012137746464
                   +0 :              -0.00011799707096
                   +1 :              -0.00019630225165
                3d
                   -2 :               0.00002523283023
                   -1 :              -0.00001080559520
                   +0 :              -0.00000424548521
                   +1 :               0.00002034523130
                   +2 :              -0.00000003200791
             11 vec=     7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00012681883316
                2s
                   +0 :               0.00134110007444
                3s
                   +0 :              -0.00019668655584
                2p
                   -1 :               0.00055509533930
                   +0 :              -0.00008428643315
                   +1 :               0.00024297432642
                3p
                   -1 :              -0.00005153250922
                   +0 :               0.00010601654985
                   +1 :              -0.00004612804557
                3d
                   -2 :               0.00002828967643
                   -1 :               0.00002125435313
                   +0 :              -0.00001474947198
                   +1 :              -0.00000910077039
                   +2 :              -0.00000227742630
             12 vec=    -7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00016710325552
                2s
                   +0 :               0.00166642756323
                3s
                   +0 :              -0.00029541720168
                2p
                   -1 :               0.00017151160912
                   +0 :               0.00098372964964
                   +1 :               0.00023470077968
                3p
                   -1 :              -0.00009461279525
                   +0 :              -0.00031356031866
                   +1 :              -0.00025829874482
                3d
                   -2 :               0.00002577737584
                   -1 :              -0.00001138917161
                   +0 :               0.00000164895257
                   +1 :              -0.00003508673172
                   +2 :               0.00000785838018
             13 vec=     7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00014920823829
                2s
                   +0 :              -0.00147857217250
                3s
                   +0 :               0.00020919622953
                2p
                   -1 :              -0.00025186900017
                   +0 :              -0.00051238259344
                   +1 :              -0.00026928123103
                3p
                   -1 :               0.00007099564634
                   +0 :              -0.00014429296445
                   +1 :               0.00019359899499
                3d
                   -2 :               0.00001502939140
                   -1 :               0.00000867367572
                   +0 :              -0.00005994115967
                   +1 :               0.00000083400517
                   +2 :              -0.00000575781433
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 19)  npairs=  15
              1 vec=    -0.209286      3.115418     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00013739818322
                2s
                   +0 :              -0.00058574045549
                3s
                   +0 :               0.00052437904780
                2p
                   -1 :              -0.00004723619690
                   +0 :               0.00062506095039
                   +1 :               0.00417160500994
                3p
                   -1 :               0.00023337785973
                   +0 :               0.00025565035558
                   +1 :              -0.00142334860696
                3d
                   -2 :               0.00005430592694
                   -1 :               0.00007106943778
                   +0 :               0.00004346347670
                   +1 :               0.00013908793622
                   +2 :               0.00004142058044
              2 vec=    -0.209286     -5.868340     10.693237   |vec|=   12.199448
                1s
                   +0 :               0.00022631307664
                2s
                   +0 :              -0.00199694697927
                3s
                   +0 :               0.00061147326975
                2p
                   -1 :              -0.00011141376696
                   +0 :              -0.00127252887236
                   +1 :              -0.00087420555593
                3p
                   -1 :               0.00029688624999
                   +0 :               0.00024168372038
                   +1 :               0.00043911761278
                3d
                   -2 :               0.00008039712402
                   -1 :               0.00007636480437
                   +0 :              -0.00007405231718
                   +1 :              -0.00006551895270
                   +2 :               0.00011469448504
              3 vec=     7.570876     -1.376461     10.693237   |vec|=   13.174146
                1s
                   +0 :               0.00039439219391
                2s
                   +0 :              -0.00383102871966
                3s
                   +0 :               0.00041613011151
                2p
                   -1 :              -0.00088493312920
                   +0 :              -0.00068957427219
                   +1 :              -0.00047245860569
                3p
                   -1 :              -0.00023388535169
                   +0 :              -0.00067671464017
                   +1 :              -0.00018552652105
                3d
                   -2 :              -0.00011530182909
                   -1 :              -0.00015812300941
                   +0 :              -0.00004226614212
                   +1 :              -0.00012359906821
                   +2 :               0.00003793464769
              4 vec=    -7.989449     -1.376461     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00057794128071
                2s
                   +0 :               0.00529680067583
                3s
                   +0 :              -0.00115391001335
                2p
                   -1 :               0.00047253636771
                   +0 :               0.00070682383513
                   +1 :              -0.00092736367057
                3p
                   -1 :               0.00034110683365
                   +0 :               0.00051866414788
                   +1 :               0.00006149379347
                3d
                   -2 :              -0.00006556233807
                   -1 :               0.00014765058731
                   +0 :               0.00005777107886
                   +1 :              -0.00004064810345
                   +2 :              -0.00004659539996
              5 vec=    -0.209286      3.115418    -13.854306   |vec|=   14.201810
                1s
                   +0 :              -0.00000157563060
                2s
                   +0 :              -0.00025750406927
                3s
                   +0 :              -0.00008113789865
                2p
                   -1 :              -0.00001622775308
                   +0 :              -0.00000343829028
                   +1 :              -0.00067846893050
                3p
                   -1 :              -0.00003051962870
                   +0 :               0.00020271047684
                   +1 :               0.00012843979457
                3d
                   -2 :              -0.00002188610259
                   -1 :               0.00000546684627
                   +0 :              -0.00001399678803
                   +1 :               0.00001472529907
                   +2 :               0.00000453525935
              6 vec=    -0.209286     -5.868340    -13.854306   |vec|=   15.047359
                1s
                   +0 :              -0.00005603309139
                2s
                   +0 :               0.00053561878483
                3s
                   +0 :              -0.00007576868375
                2p
                   -1 :               0.00010265386996
                   +0 :              -0.00045534280728
                   +1 :              -0.00002601173195
                3p
                   -1 :              -0.00006593589423
                   +0 :               0.00014233746159
                   +1 :               0.00000853238837
                3d
                   -2 :               0.00001185912962
                   -1 :              -0.00000273438500
                   +0 :              -0.00000987925899
                   +1 :              -0.00000447881206
                   +2 :               0.00000725076020
              7 vec=     7.570876      7.607297     10.693237   |vec|=   15.150394
                1s
                   +0 :               0.00001182541978
                2s
                   +0 :              -0.00012787663109
                3s
                   +0 :               0.00002597444280
                2p
                   -1 :              -0.00042852185884
                   +0 :              -0.00009188179629
                   +1 :               0.00006490786706
                3p
                   -1 :               0.00023438559347
                   +0 :              -0.00005296193334
                   +1 :              -0.00005030186031
                3d
                   -2 :               0.00002445352375
                   -1 :              -0.00000035823265
                   +0 :              -0.00001426761272
                   +1 :               0.00000743760551
                   +2 :               0.00002638482539
              8 vec=    -7.989449      7.607297     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00005172958036
                2s
                   +0 :               0.00053008853555
                3s
                   +0 :              -0.00010876252595
                2p
                   -1 :               0.00024594123169
                   +0 :               0.00027436627725
                   +1 :              -0.00026805152213
                3p
                   -1 :               0.00001570382638
                   +0 :              -0.00025785333336
                   +1 :               0.00011253676434
                3d
                   -2 :              -0.00000703280294
                   -1 :               0.00000379831570
                   +0 :              -0.00001739450124
                   +1 :               0.00001321267971
                   +2 :              -0.00002274341127
              9 vec=     7.570876     -1.376461    -13.854306   |vec|=   15.847858
                1s
                   +0 :              -0.00019392727260
                2s
                   +0 :               0.00171497977821
                3s
                   +0 :              -0.00041929867777
                2p
                   -1 :              -0.00001580095046
                   +0 :              -0.00067504138271
                   +1 :               0.00024105732143
                3p
                   -1 :              -0.00016372430862
                   +0 :               0.00024173746980
                   +1 :              -0.00025932173770
                3d
                   -2 :               0.00001021778365
                   -1 :               0.00004102454979
                   +0 :              -0.00000206624915
                   +1 :               0.00002668975445
                   +2 :              -0.00002199154730
             10 vec=    -7.989449     -1.376461    -13.854306   |vec|=   16.052032
                1s
                   +0 :               0.00014834802575
                2s
                   +0 :              -0.00168608287520
                3s
                   +0 :               0.00014446121466
                2p
                   -1 :               0.00071012781816
                   +0 :               0.00111241563814
                   +1 :              -0.00009644133459
                3p
                   -1 :               0.00006705547332
                   +0 :              -0.00016475581038
                   +1 :              -0.00010040125125
                3d
                   -2 :              -0.00000685088030
                   -1 :              -0.00009705945413
                   +0 :              -0.00002242516968
                   +1 :               0.00001615802588
                   +2 :               0.00005299564044
             11 vec=    -0.209286     12.099176     10.693237   |vec|=   16.148658
                1s
                   +0 :               0.00000612216663
                2s
                   +0 :              -0.00000298901821
                3s
                   +0 :               0.00004289424100
                2p
                   -1 :               0.00004221981504
                   +0 :               0.00003471696035
                   +1 :               0.00031259047543
                3p
                   -1 :               0.00000743063910
                   +0 :              -0.00002281301348
                   +1 :              -0.00017111207159
                3d
                   -2 :               0.00000072761004
                   -1 :               0.00000801112257
                   +0 :               0.00000533214107
                   +1 :               0.00000111791972
                   +2 :              -0.00000459473816
             12 vec=     7.570876    -10.360219     10.693237   |vec|=   16.703222
                1s
                   +0 :               0.00008058679967
                2s
                   +0 :              -0.00094960209822
                3s
                   +0 :               0.00014758615177
                2p
                   -1 :               0.00066339870600
                   +0 :               0.00008342347183
                   +1 :              -0.00046649857445
                3p
                   -1 :              -0.00032825135107
                   +0 :               0.00005210663285
                   +1 :               0.00024264983682
                3d
                   -2 :              -0.00000313494013
                   -1 :              -0.00001947859103
                   +0 :               0.00000031641217
                   +1 :               0.00000467472176
                   +2 :              -0.00000198079993
             13 vec=    -7.989449    -10.360219     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00006298108047
                2s
                   +0 :               0.00069809370941
                3s
                   +0 :              -0.00007346062292
                2p
                   -1 :              -0.00027998298970
                   +0 :               0.00013254224885
                   +1 :              -0.00007489174267
                3p
                   -1 :               0.00008770686740
                   +0 :              -0.00002636851522
                   +1 :               0.00001688235052
                3d
                   -2 :               0.00001136406098
                   -1 :               0.00000862462547
                   +0 :               0.00001101747377
                   +1 :              -0.00000489579982
                   +2 :              -0.00000981451053
             14 vec=     7.570876      7.607297    -13.854306   |vec|=   17.525151
                1s
                   +0 :              -0.00020956992086
                2s
                   +0 :               0.00230270991571
                3s
                   +0 :              -0.00033298082689
                2p
                   -1 :               0.00029916191031
                   +0 :              -0.00122372880239
                   +1 :               0.00065259384248
                3p
                   -1 :              -0.00005203198651
                   +0 :               0.00017194349066
                   +1 :              -0.00019150806681
                3d
                   -2 :               0.00003158562481
                   -1 :              -0.00000704531496
                   +0 :               0.00003648412942
                   +1 :              -0.00005025469125
                   +2 :               0.00002693545888
             15 vec=    -7.989449      7.607297    -13.854306   |vec|=   17.709998
                1s
                   +0 :               0.00016288578788
                2s
                   +0 :              -0.00163086176410
                3s
                   +0 :               0.00024293004678
                2p
                   -1 :              -0.00016038099186
                   +0 :               0.00029172141147
                   +1 :               0.00025737755369
                3p
                   -1 :              -0.00002140492988
                   +0 :               0.00019405734659
                   +1 :               0.00002920336874
                3d
                   -2 :              -0.00001091100795
                   -1 :              -0.00001517449808
                   +0 :              -0.00002586658170
                   +1 :              -0.00003983793087
                   +2 :              -0.00001714615533
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 20)  npairs=  15
              1 vec=     2.802674     -1.376461     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00025014188749
                2s
                   +0 :              -0.00242325398695
                3s
                   +0 :               0.00046713381625
                2p
                   -1 :               0.00010066114017
                   +0 :              -0.00180534465068
                   +1 :               0.00240062236165
                3p
                   -1 :               0.00037328413434
                   +0 :               0.00065354629867
                   +1 :              -0.00116417370670
                3d
                   -2 :               0.00008402710730
                   -1 :               0.00007255399133
                   +0 :               0.00010711527009
                   +1 :              -0.00004394292274
                   +2 :              -0.00000390260914
              2 vec=    -4.977489      3.115418     10.693237   |vec|=   12.199448
                1s
                   +0 :              -0.00034294705057
                2s
                   +0 :               0.00406223089112
                3s
                   +0 :              -0.00060342805808
                2p
                   -1 :               0.00086521635506
                   +0 :               0.00234387206835
                   +1 :              -0.00117674569153
                3p
                   -1 :              -0.00052785272871
                   +0 :              -0.00022226543910
                   +1 :               0.00049759038316
                3d
                   -2 :              -0.00001818535874
                   -1 :               0.00000031751917
                   +0 :               0.00011491132206
                   +1 :              -0.00014042928022
                   +2 :               0.00004743299218
              3 vec=    -4.977489     -5.868340     10.693237   |vec|=   13.174146
                1s
                   +0 :              -0.00032855375042
                2s
                   +0 :               0.00331890558382
                3s
                   +0 :              -0.00022345712352
                2p
                   -1 :              -0.00092054010416
                   +0 :               0.00041698329456
                   +1 :               0.00057072677440
                3p
                   -1 :              -0.00026691360367
                   +0 :               0.00089552144052
                   +1 :               0.00013429010822
                3d
                   -2 :              -0.00007305470963
                   -1 :              -0.00018703437616
                   +0 :               0.00007806388695
                   +1 :               0.00008689211899
                   +2 :              -0.00009574623044
              4 vec=     2.802674      7.607297     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00014802246467
                2s
                   +0 :               0.00087287901071
                3s
                   +0 :              -0.00025522483255
                2p
                   -1 :               0.00050239582391
                   +0 :               0.00038081527649
                   +1 :              -0.00018774690434
                3p
                   -1 :              -0.00054232895102
                   +0 :              -0.00026865490265
                   +1 :               0.00027454199789
                3d
                   -2 :               0.00000469471483
                   -1 :              -0.00002269856318
                   +0 :               0.00003850272254
                   +1 :              -0.00001276389707
                   +2 :              -0.00000716839220
              5 vec=     2.802674     -1.376461    -13.854306   |vec|=   14.201810
                1s
                   +0 :              -0.00006449449510
                2s
                   +0 :               0.00074085595673
                3s
                   +0 :              -0.00011595551806
                2p
                   -1 :              -0.00012599593442
                   +0 :              -0.00008275819762
                   +1 :              -0.00027594761922
                3p
                   -1 :               0.00006264563131
                   +0 :              -0.00006025882974
                   +1 :               0.00022801019213
                3d
                   -2 :              -0.00000237265436
                   -1 :               0.00000372238362
                   +0 :              -0.00001014977102
                   +1 :              -0.00002021866973
                   +2 :               0.00000615713723
              6 vec=    -4.977489      3.115418    -13.854306   |vec|=   15.047359
                1s
                   +0 :               0.00022409747924
                2s
                   +0 :              -0.00203709425055
                3s
                   +0 :               0.00044561218637
                2p
                   -1 :               0.00022325687796
                   +0 :               0.00108385440466
                   +1 :              -0.00071947155127
                3p
                   -1 :              -0.00017705430696
                   +0 :              -0.00041982699444
                   +1 :               0.00033292195100
                3d
                   -2 :              -0.00000770847272
                   -1 :               0.00002340347165
                   +0 :               0.00003124815601
                   +1 :              -0.00000951752982
                   +2 :               0.00001214638136
              7 vec=     2.802674    -10.360219     10.693237   |vec|=   15.150394
                1s
                   +0 :               0.00011608398867
                2s
                   +0 :              -0.00128108193449
                3s
                   +0 :               0.00017306305344
                2p
                   -1 :               0.00075586259879
                   +0 :               0.00041075153861
                   +1 :               0.00082238619654
                3p
                   -1 :              -0.00015837139450
                   +0 :              -0.00027424752760
                   +1 :              -0.00043310660753
                3d
                   -2 :               0.00000844493296
                   -1 :               0.00002745067491
                   +0 :               0.00001361864749
                   +1 :              -0.00000092174158
                   +2 :               0.00004650847496
              8 vec=    10.582837      3.115418     10.693237   |vec|=   15.363840
                1s
                   +0 :               0.00014094741086
                2s
                   +0 :              -0.00141790688452
                3s
                   +0 :               0.00026489341704
                2p
                   -1 :              -0.00070785302765
                   +0 :              -0.00052617643606
                   +1 :              -0.00019651154126
                3p
                   -1 :               0.00026378761100
                   +0 :               0.00034625794136
                   +1 :              -0.00016195306424
                3d
                   -2 :              -0.00001478647894
                   -1 :               0.00002094215282
                   +0 :               0.00000102940678
                   +1 :              -0.00000151697398
                   +2 :              -0.00002839990223
              9 vec=    -4.977489     -5.868340    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00008343971360
                2s
                   +0 :              -0.00059251026558
                3s
                   +0 :               0.00030236389610
                2p
                   -1 :               0.00067634744247
                   +0 :               0.00033813239726
                   +1 :              -0.00030222156252
                3p
                   -1 :              -0.00026142259511
                   +0 :              -0.00048390602109
                   +1 :              -0.00000261710866
                3d
                   -2 :              -0.00000113763163
                   -1 :               0.00000224443692
                   +0 :               0.00002257168529
                   +1 :               0.00001568292886
                   +2 :               0.00000391300142
             10 vec=     2.802674      7.607297    -13.854306   |vec|=   16.052032
                1s
                   +0 :              -0.00008226666959
                2s
                   +0 :               0.00096668085302
                3s
                   +0 :              -0.00005149502164
                2p
                   -1 :               0.00023134452405
                   +0 :              -0.00065621442173
                   +1 :              -0.00091098355178
                3p
                   -1 :              -0.00002711947302
                   +0 :              -0.00005369619371
                   +1 :               0.00006540426874
                3d
                   -2 :              -0.00004054432024
                   -1 :              -0.00002675724444
                   +0 :               0.00002100521388
                   +1 :               0.00007228519987
                   +2 :               0.00001949192439
             11 vec=    10.582837     -5.868340     10.693237   |vec|=   16.148658
                1s
                   +0 :               0.00014582708512
                2s
                   +0 :              -0.00137353749642
                3s
                   +0 :               0.00019930937605
                2p
                   -1 :               0.00059330523402
                   +0 :              -0.00014746775840
                   +1 :              -0.00060497917248
                3p
                   -1 :              -0.00025362719503
                   +0 :              -0.00012811161411
                   +1 :               0.00010799009724
                3d
                   -2 :               0.00002251445032
                   -1 :               0.00003539389478
                   +0 :              -0.00002193541967
                   +1 :              -0.00003282633079
                   +2 :              -0.00001076513879
             12 vec=   -12.757651     -1.376461     10.693237   |vec|=   16.703222
                1s
                   +0 :              -0.00007964141924
                2s
                   +0 :               0.00099100357549
                3s
                   +0 :              -0.00010208052772
                2p
                   -1 :               0.00000667806407
                   +0 :              -0.00012741062782
                   +1 :              -0.00075595718153
                3p
                   -1 :              -0.00002947624693
                   +0 :               0.00006974993722
                   +1 :               0.00032457603238
                3d
                   -2 :               0.00000065985257
                   -1 :              -0.00001474852942
                   +0 :              -0.00000015193460
                   +1 :               0.00001124805708
                   +2 :              -0.00000436317521
             13 vec=    -4.977489     12.099176     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00000665307743
                2s
                   +0 :               0.00008080174774
                3s
                   +0 :              -0.00001785937278
                2p
                   -1 :               0.00003707515840
                   +0 :              -0.00003086705864
                   +1 :               0.00002273856323
                3p
                   -1 :               0.00004465147022
                   +0 :              -0.00001299116598
                   +1 :              -0.00001611697864
                3d
                   -2 :              -0.00000792205290
                   -1 :              -0.00000757600222
                   +0 :              -0.00000356076884
                   +1 :               0.00000381458023
                   +2 :               0.00000106871291
             14 vec=     2.802674    -10.360219    -13.854306   |vec|=   17.525151
                1s
                   +0 :              -0.00000606207415
                2s
                   +0 :               0.00021849014387
                3s
                   +0 :               0.00005477061727
                2p
                   -1 :              -0.00010443785674
                   +0 :              -0.00005822023571
                   +1 :              -0.00002713622951
                3p
                   -1 :              -0.00000389396129
                   +0 :              -0.00005255779938
                   +1 :              -0.00003645486534
                3d
                   -2 :               0.00000448689332
                   -1 :               0.00000829962620
                   +0 :               0.00000662233591
                   +1 :               0.00001059980794
                   +2 :              -0.00000460917021
             15 vec=    10.582837      3.115418    -13.854306   |vec|=   17.709998
                1s
                   +0 :              -0.00010693548885
                2s
                   +0 :               0.00105544990700
                3s
                   +0 :              -0.00015875712474
                2p
                   -1 :               0.00019809467686
                   +0 :              -0.00015719034048
                   +1 :               0.00011998703081
                3p
                   -1 :              -0.00005965717762
                   +0 :              -0.00008089917003
                   +1 :               0.00002333798689
                3d
                   -2 :               0.00000401923713
                   -1 :              -0.00002822881992
                   +0 :               0.00000647336380
                   +1 :               0.00000361127922
                   +2 :              -0.00001789586695
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 21)  npairs=  15
              1 vec=    -2.593388     -1.738956     10.693237   |vec|=   11.139791
                1s
                   +0 :              -0.00038754007071
                2s
                   +0 :               0.00300899444243
                3s
                   +0 :              -0.00099151286405
                2p
                   -1 :              -0.00150700349144
                   +0 :               0.00118028370029
                   +1 :               0.00315803083474
                3p
                   -1 :               0.00052778304469
                   +0 :              -0.00090919665425
                   +1 :              -0.00141492354479
                3d
                   -2 :               0.00010841755068
                   -1 :              -0.00008669765898
                   +0 :              -0.00015057874680
                   +1 :               0.00004628684565
                   +2 :               0.00004449828287
              2 vec=     5.186775      2.752923     10.693237   |vec|=   12.199448
                1s
                   +0 :               0.00011663397392
                2s
                   +0 :              -0.00206528391185
                3s
                   +0 :              -0.00000804521167
                2p
                   -1 :               0.00011489385095
                   +0 :              -0.00107134319600
                   +1 :              -0.00187126211950
                3p
                   -1 :              -0.00006484433479
                   +0 :              -0.00001941828128
                   +1 :               0.00118259890502
                3d
                   -2 :               0.00008935604416
                   -1 :              -0.00002653308486
                   +0 :              -0.00004085900488
                   +1 :              -0.00003711523559
                   +2 :              -0.00000431119583
              3 vec=    -2.593388      7.244802     10.693237   |vec|=   13.174146
                1s
                   +0 :              -0.00006583844349
                2s
                   +0 :               0.00051212313585
                3s
                   +0 :              -0.00019267298799
                2p
                   -1 :               0.00000068842333
                   +0 :               0.00027259097762
                   +1 :               0.00007997062922
                3p
                   -1 :               0.00002656984781
                   +0 :              -0.00021880680036
                   +1 :               0.00000298509885
                3d
                   -2 :               0.00002159276710
                   -1 :               0.00000971202260
                   +0 :              -0.00003579774483
                   +1 :               0.00000668450345
                   +2 :               0.00000768128732
              4 vec=     5.186775     -6.230835     10.693237   |vec|=   13.419063
                1s
                   +0 :               0.00072596374539
                2s
                   +0 :              -0.00616967968654
                3s
                   +0 :               0.00140913484590
                2p
                   -1 :               0.00112799300443
                   +0 :              -0.00108763911162
                   +1 :              -0.00058341433506
                3p
                   -1 :               0.00008389409858
                   +0 :              -0.00025000924523
                   +1 :               0.00093309572782
                3d
                   -2 :              -0.00006457860194
                   -1 :               0.00008662444316
                   +0 :              -0.00009627380140
                   +1 :               0.00012082069158
                   +2 :               0.00003396249653
              5 vec=    -2.593388     -1.738956    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00006607012570
                2s
                   +0 :              -0.00048335188746
                3s
                   +0 :               0.00019709341671
                2p
                   -1 :               0.00027748183739
                   +0 :               0.00008619648790
                   +1 :              -0.00038214624130
                3p
                   -1 :               0.00010229349506
                   +0 :              -0.00014245164710
                   +1 :               0.00009754151143
                3d
                   -2 :              -0.00001353396592
                   -1 :              -0.00002566774974
                   +0 :               0.00002414655906
                   +1 :              -0.00000123593637
                   +2 :               0.00002224534017
              6 vec=     5.186775      2.752923    -13.854306   |vec|=   15.047359
                1s
                   +0 :              -0.00016806438786
                2s
                   +0 :               0.00150147546572
                3s
                   +0 :              -0.00036984350262
                2p
                   -1 :              -0.00043759844607
                   +0 :              -0.00062851159737
                   +1 :              -0.00047718691031
                3p
                   -1 :               0.00015943450136
                   +0 :               0.00027748953285
                   +1 :               0.00026695853794
                3d
                   -2 :              -0.00000216440384
                   -1 :               0.00000597088574
                   +0 :              -0.00002136889702
                   +1 :              -0.00002963421880
                   +2 :              -0.00000724746994
              7 vec=   -10.373550      2.752923     10.693237   |vec|=   15.150394
                1s
                   +0 :              -0.00012790940846
                2s
                   +0 :               0.00140895856558
                3s
                   +0 :              -0.00019903749624
                2p
                   -1 :               0.00081966584612
                   +0 :              -0.00031886974232
                   +1 :              -0.00058205999635
                3p
                   -1 :              -0.00029351153630
                   +0 :               0.00032720946094
                   +1 :               0.00009843329518
                3d
                   -2 :              -0.00000097836340
                   -1 :               0.00000630681418
                   +0 :               0.00000064896523
                   +1 :              -0.00002082528843
                   +2 :               0.00002258280388
              8 vec=    -2.593388    -10.722714     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00008921783050
                2s
                   +0 :               0.00088781834897
                3s
                   +0 :              -0.00015613089109
                2p
                   -1 :              -0.00016900045717
                   +0 :               0.00025181015881
                   +1 :               0.00059372852688
                3p
                   -1 :              -0.00009796944595
                   +0 :              -0.00008840460799
                   +1 :              -0.00023955500970
                3d
                   -2 :              -0.00000601097607
                   -1 :              -0.00000038602002
                   +0 :               0.00001636509446
                   +1 :              -0.00000899914560
                   +2 :              -0.00003228653714
              9 vec=    -2.593388      7.244802    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00011048755901
                2s
                   +0 :              -0.00112246951263
                3s
                   +0 :               0.00011693478168
                2p
                   -1 :              -0.00014022006883
                   +0 :               0.00033690898546
                   +1 :              -0.00063000021201
                3p
                   -1 :               0.00000973927816
                   +0 :               0.00024216855130
                   +1 :              -0.00004636022518
                3d
                   -2 :              -0.00001789392126
                   -1 :               0.00001210230278
                   +0 :              -0.00002050543614
                   +1 :               0.00005477090456
                   +2 :              -0.00001887335104
             10 vec=     5.186775     -6.230835    -13.854306   |vec|=   16.052032
                1s
                   +0 :              -0.00006608135616
                2s
                   +0 :               0.00071940202218
                3s
                   +0 :              -0.00009296619302
                2p
                   -1 :              -0.00023467808144
                   +0 :              -0.00045620121641
                   +1 :              -0.00008907394758
                3p
                   -1 :               0.00016355979255
                   +0 :               0.00021845200409
                   +1 :               0.00006405940468
                3d
                   -2 :               0.00000531746894
                   -1 :              -0.00001330079077
                   +0 :               0.00000141995580
                   +1 :              -0.00001666188666
                   +2 :               0.00000706440749
             11 vec=   -10.373550     -6.230835     10.693237   |vec|=   16.148658
                1s
                   +0 :              -0.00015194925174
                2s
                   +0 :               0.00137652651463
                3s
                   +0 :              -0.00024220361705
                2p
                   -1 :              -0.00047687610030
                   +0 :               0.00011275079805
                   +1 :              -0.00062344832102
                3p
                   -1 :               0.00011861129049
                   +0 :               0.00015092462759
                   +1 :               0.00019452172904
                3d
                   -2 :               0.00001696475388
                   -1 :              -0.00000769407458
                   +0 :               0.00001660327860
                   +1 :              -0.00003956838190
                   +2 :               0.00001118801868
             12 vec=     5.186775     11.736681     10.693237   |vec|=   16.703222
                1s
                   +0 :              -0.00000094538043
                2s
                   +0 :              -0.00004140147728
                3s
                   +0 :              -0.00004550562405
                2p
                   -1 :               0.00008435987796
                   +0 :               0.00004398715599
                   +1 :              -0.00004249111889
                3p
                   -1 :              -0.00010791363241
                   +0 :              -0.00012185657007
                   +1 :               0.00002486610440
                3d
                   -2 :               0.00000082565373
                   -1 :              -0.00001142088485
                   +0 :              -0.00000016447757
                   +1 :               0.00000386503591
                   +2 :               0.00000011439932
             13 vec=    12.966938     -1.738956     10.693237   |vec|=   16.897064
                1s
                   +0 :               0.00006963415790
                2s
                   +0 :              -0.00077889545715
                3s
                   +0 :               0.00009131999570
                2p
                   -1 :              -0.00003690359056
                   +0 :              -0.00010167519021
                   +1 :              -0.00030065700045
                3p
                   -1 :               0.00003760091145
                   +0 :               0.00003935968120
                   +1 :               0.00003766975366
                3d
                   -2 :              -0.00000770414393
                   -1 :               0.00000806772203
                   +0 :              -0.00000745670493
                   +1 :               0.00001348954533
                   +2 :              -0.00002107516337
             14 vec=   -10.373550      2.752923    -13.854306   |vec|=   17.525151
                1s
                   +0 :               0.00021563199501
                2s
                   +0 :              -0.00252120005957
                3s
                   +0 :               0.00027821020962
                2p
                   -1 :              -0.00049130148328
                   +0 :               0.00128194903811
                   +1 :               0.00066225645771
                3p
                   -1 :               0.00010631703750
                   +0 :              -0.00011938569129
                   +1 :              -0.00015567021880
                3d
                   -2 :               0.00004535470921
                   -1 :               0.00005332869785
                   +0 :              -0.00004310646533
                   +1 :              -0.00003311655052
                   +2 :              -0.00001230504555
             15 vec=    -2.593388    -10.722714    -13.854306   |vec|=   17.709998
                1s
                   +0 :              -0.00005595029903
                2s
                   +0 :               0.00057541185711
                3s
                   +0 :              -0.00008417292204
                2p
                   -1 :              -0.00010012684056
                   +0 :              -0.00013453107100
                   +1 :              -0.00012176674350
                3p
                   -1 :              -0.00004561062343
                   +0 :              -0.00011315817657
                   +1 :               0.00005939809610
                3d
                   -2 :              -0.00000279661610
                   -1 :               0.00001592646072
                   +0 :               0.00001939321791
                   +1 :              -0.00000680795148
                   +2 :              -0.00000459103962
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 22)  npairs=  14
              1 vec=     2.803193      1.376162     -1.580534   |vec|=    3.499971
                1s
                   +0 :              -0.00970217892211
                2s
                   +0 :               0.10845777502975
                3s
                   +0 :              -0.01802621665804
                2p
                   -1 :               0.00066106055383
                   +0 :              -0.00465324571804
                   +1 :               0.00803214715791
                3p
                   -1 :              -0.01820697543732
                   +0 :               0.00493851317421
                   +1 :              -0.01151991895993
                3d
                   -2 :               0.00144347095884
                   -1 :               0.00045493792542
                   +0 :               0.00286509621223
                   +1 :              -0.00960288847921
                   +2 :               0.01025316188883
              2 vec=    -4.976970     -3.115717     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00051525443862
                2s
                   +0 :               0.00714913992361
                3s
                   +0 :               0.00132130626035
                2p
                   -1 :              -0.01815634923060
                   +0 :              -0.01011775343131
                   +1 :               0.00671881159362
                3p
                   -1 :               0.00499108739375
                   +0 :               0.00191502053238
                   +1 :              -0.01118523144885
                3d
                   -2 :               0.00179009948470
                   -1 :               0.00113342293599
                   +0 :              -0.00073574022589
                   +1 :               0.00092256231187
                   +2 :               0.00001473948578
              3 vec=    -4.976970      5.868041     -1.580534   |vec|=    7.855076
                1s
                   +0 :               0.00033540934348
                2s
                   +0 :              -0.00186311754484
                3s
                   +0 :              -0.00192634838247
                2p
                   -1 :              -0.00068037987881
                   +0 :              -0.00838449428406
                   +1 :              -0.00209587794728
                3p
                   -1 :              -0.00297415962544
                   +0 :               0.00130498491055
                   +1 :               0.00104808247619
                3d
                   -2 :              -0.00007022900892
                   -1 :              -0.00084409540161
                   +0 :               0.00023799622605
                   +1 :               0.00011652623044
                   +2 :               0.00063786310409
              4 vec=     2.803193     -7.607596     -1.580534   |vec|=    8.260236
                1s
                   +0 :              -0.00166521924165
                2s
                   +0 :               0.01687164420250
                3s
                   +0 :              -0.00209856193110
                2p
                   -1 :              -0.01333708169626
                   +0 :               0.00722480754921
                   +1 :               0.00332854198529
                3p
                   -1 :               0.00183834247250
                   +0 :              -0.00571097829651
                   +1 :               0.00016608013021
                3d
                   -2 :              -0.00041359692902
                   -1 :               0.00030232569261
                   +0 :              -0.00047402861116
                   +1 :               0.00016468876243
                   +2 :              -0.00055519473816
              5 vec=     2.803193     10.359920     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00020289203697
                2s
                   +0 :               0.00200946395952
                3s
                   +0 :              -0.00032211175873
                2p
                   -1 :               0.00095624834915
                   +0 :              -0.00045181301795
                   +1 :              -0.00147433668049
                3p
                   -1 :              -0.00019530615629
                   +0 :               0.00045289496881
                   +1 :               0.00077789988480
                3d
                   -2 :               0.00000897459209
                   -1 :               0.00009169911360
                   +0 :              -0.00002420014807
                   +1 :              -0.00005016194977
                   +2 :              -0.00003878162206
              6 vec=    10.583355     -3.115717     -1.580534   |vec|=   11.145097
                1s
                   +0 :              -0.00017050791384
                2s
                   +0 :               0.00159188932521
                3s
                   +0 :              -0.00023322562058
                2p
                   -1 :              -0.00320585482055
                   +0 :               0.00100174303444
                   +1 :              -0.00115270516977
                3p
                   -1 :               0.00104795028227
                   +0 :              -0.00042393839130
                   +1 :               0.00069581334537
                3d
                   -2 :              -0.00005947419192
                   -1 :               0.00005270153029
                   +0 :              -0.00006999611993
                   +1 :               0.00006122657968
                   +2 :              -0.00004725619542
              7 vec=    10.583355      5.868041     -1.580534   |vec|=   12.204073
                1s
                   +0 :              -0.00010820367652
                2s
                   +0 :               0.00149283759706
                3s
                   +0 :               0.00021002720012
                2p
                   -1 :               0.00021217086682
                   +0 :               0.00069115765893
                   +1 :               0.00047463350554
                3p
                   -1 :               0.00069885758496
                   +0 :              -0.00027232576275
                   +1 :               0.00010572231770
                3d
                   -2 :               0.00016325340226
                   -1 :               0.00003401021869
                   +0 :              -0.00016706325641
                   +1 :              -0.00002174497354
                   +2 :              -0.00004247679695
              8 vec=   -12.757133      1.376162     -1.580534   |vec|=   12.928122
                1s
                   +0 :               0.00044887658122
                2s
                   +0 :              -0.00484724364708
                3s
                   +0 :               0.00082876143900
                2p
                   -1 :              -0.00022401600205
                   +0 :              -0.00026556957136
                   +1 :               0.00422018375137
                3p
                   -1 :               0.00044824246690
                   +0 :              -0.00004986815270
                   +1 :              -0.00096336788595
                3d
                   -2 :              -0.00001704290445
                   -1 :              -0.00003952159424
                   +0 :               0.00004695977734
                   +1 :              -0.00009894382053
                   +2 :              -0.00012179288205
              9 vec=    -4.976970    -12.099475     -1.580534   |vec|=   13.178225
                1s
                   +0 :              -0.00005772770726
                2s
                   +0 :              -0.00003336039701
                3s
                   +0 :              -0.00038689576180
                2p
                   -1 :               0.00126050377841
                   +0 :               0.00006940550898
                   +1 :               0.00065329973746
                3p
                   -1 :               0.00017698793754
                   +0 :              -0.00013572495462
                   +1 :               0.00003050057154
                3d
                   -2 :              -0.00013378419021
                   -1 :               0.00000841703377
                   +0 :               0.00009387634501
                   +1 :               0.00001905370457
                   +2 :               0.00008956211106
             10 vec=   -12.757133     -7.607596     -1.580534   |vec|=   14.937136
                1s
                   +0 :               0.00003602255029
                2s
                   +0 :              -0.00033938873298
                3s
                   +0 :               0.00009081752346
                2p
                   -1 :               0.00049882054651
                   +0 :              -0.00002222693219
                   +1 :              -0.00003309058049
                3p
                   -1 :              -0.00007866060844
                   +0 :              -0.00012502766529
                   +1 :              -0.00001171385414
                3d
                   -2 :              -0.00001054877528
                   -1 :               0.00000243879284
                   +0 :              -0.00000442605555
                   +1 :               0.00000806851509
                   +2 :               0.00000973421949
             11 vec=    -4.976970     14.851799     -1.580534   |vec|=   15.743070
                1s
                   +0 :               0.00008762672617
                2s
                   +0 :              -0.00076911058551
                3s
                   +0 :               0.00018146207301
                2p
                   -1 :              -0.00042640415430
                   +0 :              -0.00001054855964
                   +1 :               0.00031966027988
                3p
                   -1 :               0.00015676258796
                   +0 :              -0.00008917568047
                   +1 :              -0.00021307235384
                3d
                   -2 :              -0.00001067969691
                   -1 :              -0.00000431341422
                   +0 :               0.00001113412904
                   +1 :              -0.00000255791176
                   +2 :               0.00000312567278
             12 vec=    10.583355    -12.099475     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00003390258947
                2s
                   +0 :               0.00028833754459
                3s
                   +0 :              -0.00008437963483
                2p
                   -1 :              -0.00023799395544
                   +0 :               0.00020145399424
                   +1 :               0.00027157305822
                3p
                   -1 :               0.00017558994157
                   +0 :              -0.00001478318280
                   +1 :              -0.00017445238525
                3d
                   -2 :               0.00002544635367
                   -1 :               0.00001245605925
                   +0 :               0.00000182694734
                   +1 :               0.00000589908697
                   +2 :               0.00000854022582
             13 vec=   -12.757133     10.359920     -1.580534   |vec|=   16.509708
                1s
                   +0 :               0.00007880933449
                2s
                   +0 :              -0.00096957724836
                3s
                   +0 :               0.00004270688032
                2p
                   -1 :               0.00007713371942
                   +0 :              -0.00010634117296
                   +1 :               0.00057840892614
                3p
                   -1 :              -0.00014097313162
                   +0 :              -0.00003745369963
                   +1 :              -0.00004935563980
                3d
                   -2 :              -0.00000726623937
                   -1 :              -0.00002212113883
                   +0 :               0.00002086416640
                   +1 :              -0.00000975694568
                   +2 :               0.00000199594750
             14 vec=     2.803193    -16.591354     -1.580534   |vec|=   16.900562
                1s
                   +0 :               0.00000747712022
                2s
                   +0 :              -0.00001886298023
                3s
                   +0 :               0.00006807486295
                2p
                   -1 :              -0.00011177041153
                   +0 :              -0.00003611210648
                   +1 :              -0.00021580847860
                3p
                   -1 :               0.00000990702932
                   +0 :               0.00008416086085
                   +1 :              -0.00001779686368
                3d
                   -2 :               0.00001677107763
                   -1 :              -0.00000153040563
                   +0 :              -0.00000928456373
                   +1 :              -0.00000321457774
                   +2 :              -0.00000941382494
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805     -3.115717     -1.580534   |vec|=    3.499971
                1s
                   +0 :              -0.00116523623170
                2s
                   +0 :               0.01867545236829
                3s
                   +0 :               0.00005758507711
                2p
                   -1 :              -0.00674280821730
                   +0 :              -0.01523781791547
                   +1 :               0.02348607732074
                3p
                   -1 :               0.00488015031308
                   +0 :               0.01041729425905
                   +1 :               0.00520739247164
                3d
                   -2 :              -0.01233311240777
                   -1 :               0.00217348660702
                   +0 :               0.00025667800271
                   +1 :              -0.00656842239872
                   +2 :              -0.00214843626858
              2 vec=    -0.209805      5.868041     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00036779216349
                2s
                   +0 :               0.00443898869466
                3s
                   +0 :              -0.00120093649851
                2p
                   -1 :              -0.00255447878279
                   +0 :              -0.00557256943217
                   +1 :               0.00922081852732
                3p
                   -1 :               0.00363696703188
                   +0 :               0.00230853193689
                   +1 :              -0.00381664839536
                3d
                   -2 :               0.00060612181388
                   -1 :              -0.00050257313799
                   +0 :              -0.00014921897934
                   +1 :              -0.00026170212644
                   +2 :              -0.00055417363996
              3 vec=     7.570358      1.376162     -1.580534   |vec|=    7.855076
                1s
                   +0 :              -0.00248007961519
                2s
                   +0 :               0.02256742650173
                3s
                   +0 :              -0.00437451398113
                2p
                   -1 :               0.00814948739475
                   +0 :               0.00830885003931
                   +1 :               0.01726698603581
                3p
                   -1 :              -0.00476519675988
                   +0 :              -0.00123224692112
                   +1 :              -0.00463602569502
                3d
                   -2 :              -0.00021110352634
                   -1 :              -0.00018941255999
                   +0 :              -0.00059219974461
                   +1 :               0.00063841406367
                   +2 :               0.00072567820148
              4 vec=    -7.989968      1.376162     -1.580534   |vec|=    8.260236
                1s
                   +0 :               0.00192016720635
                2s
                   +0 :              -0.01738477326752
                3s
                   +0 :               0.00260267722886
                2p
                   -1 :              -0.00157197430218
                   +0 :              -0.00604101106087
                   +1 :               0.01133998479067
                3p
                   -1 :               0.00147326361743
                   +0 :               0.00253471099477
                   +1 :              -0.00110194931145
                3d
                   -2 :              -0.00007785031183
                   -1 :               0.00036877476144
                   +0 :               0.00072710814863
                   +1 :               0.00004261091089
                   +2 :              -0.00075197959820
              5 vec=     7.570358     -7.607596     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00005575251035
                2s
                   +0 :               0.00052107809691
                3s
                   +0 :              -0.00013226522746
                2p
                   -1 :               0.00153783927968
                   +0 :               0.00123784901709
                   +1 :               0.00051385818140
                3p
                   -1 :              -0.00089094480067
                   +0 :              -0.00037251419177
                   +1 :               0.00045293070399
                3d
                   -2 :              -0.00010416611148
                   -1 :              -0.00009758564605
                   +0 :              -0.00014849386446
                   +1 :              -0.00005860106884
                   +2 :               0.00003464807199
              6 vec=    -7.989968     -7.607596     -1.580534   |vec|=   11.145097
                1s
                   +0 :              -0.00018859703914
                2s
                   +0 :               0.00195989128518
                3s
                   +0 :              -0.00034624075407
                2p
                   -1 :              -0.00088267889653
                   +0 :              -0.00035591645493
                   +1 :              -0.00009320545674
                3p
                   -1 :               0.00018739199662
                   +0 :              -0.00012303778731
                   +1 :              -0.00022588990059
                3d
                   -2 :               0.00007297334996
                   -1 :               0.00003397157048
                   +0 :               0.00002040882242
                   +1 :              -0.00000691920323
                   +2 :               0.00002927171510
              7 vec=    -0.209805    -12.099475     -1.580534   |vec|=   12.204073
                1s
                   +0 :              -0.00010062214689
                2s
                   +0 :               0.00062961200832
                3s
                   +0 :              -0.00046701804942
                2p
                   -1 :              -0.00037157135554
                   +0 :              -0.00058807958021
                   +1 :              -0.00061557316460
                3p
                   -1 :               0.00057107720454
                   +0 :               0.00048516431463
                   +1 :              -0.00011759242944
                3d
                   -2 :               0.00011039306360
                   -1 :              -0.00003400374846
                   +0 :               0.00002506713491
                   +1 :              -0.00001917460717
                   +2 :               0.00009925041864
              8 vec=     7.570358     10.359920     -1.580534   |vec|=   12.928122
                1s
                   +0 :              -0.00013698668347
                2s
                   +0 :               0.00158154417583
                3s
                   +0 :              -0.00023907621949
                2p
                   -1 :               0.00032744922705
                   +0 :              -0.00031641850671
                   +1 :               0.00005622145219
                3p
                   -1 :              -0.00006521478981
                   +0 :               0.00034561146795
                   +1 :              -0.00002983950445
                3d
                   -2 :               0.00002269054739
                   -1 :               0.00002415134348
                   +0 :               0.00003653461107
                   +1 :              -0.00000282711488
                   +2 :               0.00002991802658
              9 vec=    -7.989968     10.359920     -1.580534   |vec|=   13.178225
                1s
                   +0 :               0.00038603423474
                2s
                   +0 :              -0.00395150796469
                3s
                   +0 :               0.00052968157944
                2p
                   -1 :              -0.00181552594196
                   +0 :              -0.00073593789286
                   +1 :               0.00222547844251
                3p
                   -1 :               0.00013144273774
                   +0 :               0.00043230425052
                   +1 :              -0.00086060175519
                3d
                   -2 :               0.00011046659175
                   -1 :               0.00010715951496
                   +0 :              -0.00002617307129
                   +1 :              -0.00004168054195
                   +2 :               0.00001231296824
             10 vec=    -0.209805     14.851799     -1.580534   |vec|=   14.937136
                1s
                   +0 :               0.00002305037699
                2s
                   +0 :              -0.00037894409697
                3s
                   +0 :               0.00001411269328
                2p
                   -1 :              -0.00056946094326
                   +0 :               0.00003968288648
                   +1 :              -0.00073774049617
                3p
                   -1 :               0.00018757228485
                   +0 :               0.00002681415655
                   +1 :               0.00020423631221
                3d
                   -2 :              -0.00002746767919
                   -1 :               0.00002480371894
                   +0 :              -0.00000244971884
                   +1 :               0.00000077244502
                   +2 :               0.00001595560021
             11 vec=    15.350520     -3.115717     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00006497939079
                2s
                   +0 :               0.00042345535491
                3s
                   +0 :              -0.00014793454838
                2p
                   -1 :               0.00022284004936
                   +0 :               0.00003928205867
                   +1 :               0.00019244760564
                3p
                   -1 :              -0.00022363793950
                   +0 :               0.00015889357105
                   +1 :              -0.00011515270330
                3d
                   -2 :              -0.00000856588792
                   -1 :              -0.00000424213621
                   +0 :              -0.00001851780662
                   +1 :              -0.00000117857285
                   +2 :              -0.00001746009177
             12 vec=   -15.770130     -3.115717     -1.580534   |vec|=   16.152486
                1s
                   +0 :               0.00007551433626
                2s
                   +0 :              -0.00062043368987
                3s
                   +0 :               0.00017820314056
                2p
                   -1 :               0.00009758047770
                   +0 :              -0.00025692835978
                   +1 :               0.00050188743187
                3p
                   -1 :               0.00004231225793
                   +0 :               0.00003226030786
                   +1 :              -0.00028502483055
                3d
                   -2 :               0.00000201100848
                   -1 :               0.00001307000460
                   +0 :              -0.00000562837432
                   +1 :              -0.00000865196320
                   +2 :               0.00002406478715
             13 vec=    15.350520      5.868041     -1.580534   |vec|=   16.509708
                1s
                   +0 :              -0.00006455898514
                2s
                   +0 :               0.00073813071855
                3s
                   +0 :               0.00002982715226
                2p
                   -1 :               0.00053312280336
                   +0 :               0.00019849007455
                   +1 :              -0.00016985295011
                3p
                   -1 :              -0.00002596567811
                   +0 :              -0.00000510068206
                   +1 :               0.00033019293115
                3d
                   -2 :               0.00000420154034
                   -1 :              -0.00002148783311
                   +0 :              -0.00002497314205
                   +1 :               0.00001555046101
                   +2 :              -0.00000973615864
             14 vec=   -15.770130      5.868041     -1.580534   |vec|=   16.900562
                1s
                   +0 :               0.00009475400907
                2s
                   +0 :              -0.00102731886972
                3s
                   +0 :               0.00012333795751
                2p
                   -1 :              -0.00038410745197
                   +0 :              -0.00014318488322
                   +1 :               0.00052298486116
                3p
                   -1 :               0.00002260125062
                   +0 :              -0.00004739431396
                   +1 :              -0.00011380259648
                3d
                   -2 :               0.00001632866881
                   -1 :               0.00001057812322
                   +0 :               0.00002118910650
                   +1 :              -0.00000770321855
                   +2 :               0.00000740217963
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 24)  npairs=  14
              1 vec=    -2.593388      1.739555     -1.580534   |vec|=    3.499971
                1s
                   +0 :               0.01086741515382
                2s
                   +0 :              -0.12713322739805
                3s
                   +0 :               0.01796863158093
                2p
                   -1 :               0.01034262227759
                   +0 :               0.01989106363350
                   +1 :               0.02217105068140
                3p
                   -1 :               0.00782286407464
                   +0 :              -0.01535580743326
                   +1 :              -0.02315030064435
                3d
                   -2 :               0.00529527832738
                   -1 :               0.00394213697885
                   +0 :              -0.00312177421494
                   +1 :              -0.00957396225487
                   +2 :              -0.00787850836272
              2 vec=     5.186775     -2.752324     -1.580534   |vec|=    6.080790
                1s
                   +0 :               0.00088304660211
                2s
                   +0 :              -0.01158812861827
                3s
                   +0 :              -0.00012036976183
                2p
                   -1 :              -0.00818861244167
                   +0 :               0.01569032286349
                   +1 :              -0.00554180109389
                3p
                   -1 :               0.01069540732704
                   +0 :              -0.00422355246927
                   +1 :              -0.00632823728894
                3d
                   -2 :               0.00169080386872
                   -1 :              -0.00071017818938
                   +0 :               0.00088495920523
                   +1 :               0.00174724425327
                   +2 :              -0.00129507181754
              3 vec=    -2.593388     -7.244203     -1.580534   |vec|=    7.855076
                1s
                   +0 :               0.00214467027171
                2s
                   +0 :              -0.02070430895689
                3s
                   +0 :               0.00630086236360
                2p
                   -1 :               0.02050328585735
                   +0 :               0.00007564424475
                   +1 :              -0.00006133532668
                3p
                   -1 :              -0.00879226026678
                   +0 :              -0.00007273798943
                   +1 :              -0.00024288795187
                3d
                   -2 :              -0.00021671637281
                   -1 :              -0.00006478585930
                   +0 :               0.00035420351855
                   +1 :              -0.00018950182521
                   +2 :               0.00055976974196
              4 vec=     5.186775      6.231434     -1.580534   |vec|=    8.260236
                1s
                   +0 :              -0.00025494796470
                2s
                   +0 :               0.00051312906502
                3s
                   +0 :              -0.00050411529777
                2p
                   -1 :              -0.00051641500879
                   +0 :              -0.00118379648834
                   +1 :              -0.00285461849354
                3p
                   -1 :               0.00055765733574
                   +0 :               0.00317626730174
                   +1 :              -0.00015176702774
                3d
                   -2 :              -0.00007530293255
                   -1 :               0.00022982770636
                   +0 :              -0.00025307953747
                   +1 :               0.00004610325499
                   +2 :              -0.00036282206846
              5 vec=   -10.373550     -2.752324     -1.580534   |vec|=   10.848222
                1s
                   +0 :               0.00025864454732
                2s
                   +0 :              -0.00253054205643
                3s
                   +0 :               0.00045437698618
                2p
                   -1 :               0.00296887107249
                   +0 :              -0.00078603599914
                   +1 :              -0.00098391177000
                3p
                   -1 :              -0.00082455704451
                   +0 :              -0.00008038077704
                   +1 :               0.00121785603228
                3d
                   -2 :              -0.00011118774014
                   -1 :              -0.00001025175773
                   +0 :               0.00017269401253
                   +1 :               0.00010954390110
                   +2 :              -0.00010004949852
              6 vec=    -2.593388     10.723313     -1.580534   |vec|=   11.145097
                1s
                   +0 :               0.00035910495298
                2s
                   +0 :              -0.00355178061039
                3s
                   +0 :               0.00057946637465
                2p
                   -1 :              -0.00112671319176
                   +0 :              -0.00064582657951
                   +1 :              -0.00263488468092
                3p
                   -1 :              -0.00018054728631
                   +0 :               0.00054697617861
                   +1 :               0.00098022705921
                3d
                   -2 :              -0.00005952553559
                   -1 :              -0.00001567942878
                   +0 :               0.00004958729752
                   +1 :               0.00004337430923
                   +2 :               0.00010571069578
              7 vec=   -10.373550      6.231434     -1.580534   |vec|=   12.204073
                1s
                   +0 :               0.00020882582340
                2s
                   +0 :              -0.00212244960537
                3s
                   +0 :               0.00025699084929
                2p
                   -1 :              -0.00102384691608
                   +0 :              -0.00010307807872
                   +1 :               0.00043506576429
                3p
                   -1 :               0.00044157115068
                   +0 :              -0.00021283855189
                   +1 :               0.00010472599968
                3d
                   -2 :               0.00001408386383
                   -1 :               0.00000222923769
                   +0 :               0.00014199612150
                   +1 :               0.00003844203301
                   +2 :              -0.00001739158529
              8 vec=     5.186775    -11.736082     -1.580534   |vec|=   12.928122
                1s
                   +0 :              -0.00031188989775
                2s
                   +0 :               0.00326569947125
                3s
                   +0 :              -0.00058968521950
                2p
                   -1 :              -0.00355438051900
                   +0 :               0.00058198807807
                   +1 :               0.00166061970408
                3p
                   -1 :               0.00099997313207
                   +0 :              -0.00029574331524
                   +1 :              -0.00005193666713
                3d
                   -2 :              -0.00012856167944
                   -1 :               0.00007555438345
                   +0 :              -0.00008349438841
                   +1 :              -0.00010602784931
                   +2 :              -0.00001152724906
              9 vec=    12.966938      1.739555     -1.580534   |vec|=   13.178225
                1s
                   +0 :              -0.00032830652748
                2s
                   +0 :               0.00398486836171
                3s
                   +0 :              -0.00014278581764
                2p
                   -1 :               0.00108403561609
                   +0 :               0.00066653238388
                   +1 :               0.00410330897062
                3p
                   -1 :              -0.00061750191468
                   +0 :              -0.00029657929590
                   +1 :              -0.00037560729177
                3d
                   -2 :               0.00005524092087
                   -1 :               0.00000519087399
                   +0 :              -0.00006770327372
                   +1 :              -0.00009682691583
                   +2 :               0.00026246492172
             10 vec=    12.966938     -7.244203     -1.580534   |vec|=   14.937136
                1s
                   +0 :              -0.00005907292727
                2s
                   +0 :               0.00071833282995
                3s
                   +0 :              -0.00010493021674
                2p
                   -1 :              -0.00064556492613
                   +0 :              -0.00001745595430
                   +1 :               0.00053974337020
                3p
                   -1 :               0.00024147416821
                   +0 :               0.00009821350874
                   +1 :              -0.00013430321987
                3d
                   -2 :              -0.00002439610098
                   -1 :               0.00000730267386
                   +0 :               0.00000687577439
                   +1 :              -0.00001494811410
                   +2 :              -0.00000180729074
             11 vec=   -10.373550    -11.736082     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00002264733537
                2s
                   +0 :               0.00034565523061
                3s
                   +0 :              -0.00003352752463
                2p
                   -1 :              -0.00021195146005
                   +0 :              -0.00002873349903
                   +1 :              -0.00030620803087
                3p
                   -1 :               0.00005136322913
                   +0 :              -0.00006971789058
                   +1 :               0.00016532399182
                3d
                   -2 :               0.00000820500264
                   -1 :              -0.00000308323268
                   +0 :               0.00000738367758
                   +1 :              -0.00000192997087
                   +2 :              -0.00000533659722
             12 vec=     5.186775     15.215192     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00004161174679
                2s
                   +0 :               0.00033209614528
                3s
                   +0 :              -0.00009382350573
                2p
                   -1 :               0.00012925135958
                   +0 :               0.00005547436554
                   +1 :               0.00009611426109
                3p
                   -1 :               0.00001319255317
                   +0 :              -0.00001747712505
                   +1 :              -0.00011431674812
                3d
                   -2 :               0.00000028401658
                   -1 :               0.00000016145282
                   +0 :               0.00000380142699
                   +1 :              -0.00000190813039
                   +2 :              -0.00000399309780
             13 vec=    -2.593388    -16.227961     -1.580534   |vec|=   16.509708
                1s
                   +0 :              -0.00001425034935
                2s
                   +0 :               0.00023144652981
                3s
                   +0 :              -0.00007253403258
                2p
                   -1 :              -0.00034288553212
                   +0 :              -0.00009214890159
                   +1 :              -0.00019062014253
                3p
                   -1 :               0.00024522929955
                   +0 :               0.00004255438170
                   +1 :               0.00004081926932
                3d
                   -2 :               0.00000862795244
                   -1 :               0.00000011237112
                   +0 :               0.00000410897565
                   +1 :               0.00000234829882
                   +2 :               0.00000606128298
             14 vec=    12.966938     10.723313     -1.580534   |vec|=   16.900562
                1s
                   +0 :              -0.00010223112928
                2s
                   +0 :               0.00104618184995
                3s
                   +0 :              -0.00019141282046
                2p
                   -1 :               0.00039187486863
                   +0 :               0.00017929698970
                   +1 :               0.00038943898669
                3p
                   -1 :              -0.00006688926355
                   +0 :              -0.00003676654689
                   +1 :              -0.00007679324821
                3d
                   -2 :               0.00000198678607
                   -1 :               0.00000063658182
                   +0 :              -0.00001190454277
                   +1 :              -0.00001594519173
                   +2 :              -0.00000138895994
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 25)  npairs=  14
              1 vec=    -2.803193     -1.376162     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00002655259460
                2s
                   +0 :              -0.00115312733111
                3s
                   +0 :              -0.00140613994212
                2p
                   -1 :              -0.00186770834706
                   +0 :               0.00080076274357
                   +1 :               0.00346157619546
                3p
                   -1 :               0.00203718442853
                   +0 :              -0.00016518126026
                   +1 :              -0.00506965054555
                3d
                   -2 :               0.00032776857523
                   -1 :              -0.00009078623160
                   +0 :               0.00017459421098
                   +1 :               0.00037956154831
                   +2 :               0.00047379083664
              2 vec=     4.976970      3.115717     -5.671791   |vec|=    8.163770
                1s
                   +0 :              -0.00271074520539
                2s
                   +0 :               0.02504551891862
                3s
                   +0 :              -0.00436242401254
                2p
                   -1 :               0.00917201841616
                   +0 :              -0.01204583844880
                   +1 :               0.00280488420113
                3p
                   -1 :              -0.00088470160945
                   +0 :               0.00228017534855
                   +1 :              -0.00134284121607
                3d
                   -2 :               0.00054231345697
                   -1 :              -0.00066824684456
                   +0 :               0.00087241372166
                   +1 :              -0.00026772743696
                   +2 :              -0.00024971013715
              3 vec=     4.976970     -5.868041     -5.671791   |vec|=    9.558941
                1s
                   +0 :              -0.00005302576702
                2s
                   +0 :               0.00253037216128
                3s
                   +0 :               0.00008206552300
                2p
                   -1 :               0.00009884049147
                   +0 :              -0.00453009358512
                   +1 :               0.00254658761930
                3p
                   -1 :              -0.00100213209171
                   +0 :               0.00257627890150
                   +1 :              -0.00068403595143
                3d
                   -2 :              -0.00028188427301
                   -1 :               0.00006706465286
                   +0 :               0.00002019812815
                   +1 :               0.00004536462761
                   +2 :              -0.00010340101996
              4 vec=    -2.803193      7.607596     -5.671791   |vec|=    9.894576
                1s
                   +0 :              -0.00010418509566
                2s
                   +0 :              -0.00112625922339
                3s
                   +0 :              -0.00097589567094
                2p
                   -1 :              -0.00096396830774
                   +0 :               0.00103772971352
                   +1 :               0.00084796687893
                3p
                   -1 :              -0.00058760652134
                   +0 :              -0.00008601320222
                   +1 :              -0.00134258447761
                3d
                   -2 :              -0.00006683225934
                   -1 :               0.00005952608220
                   +0 :              -0.00005059046292
                   +1 :              -0.00001089344886
                   +2 :               0.00015783936522
              5 vec=    -2.803193    -10.359920     -5.671791   |vec|=   12.138989
                1s
                   +0 :              -0.00005933301626
                2s
                   +0 :               0.00051480967182
                3s
                   +0 :              -0.00019012555064
                2p
                   -1 :              -0.00065682231061
                   +0 :               0.00132529259033
                   +1 :              -0.00018672374607
                3p
                   -1 :               0.00026146788935
                   +0 :               0.00006318116245
                   +1 :              -0.00034527608613
                3d
                   -2 :               0.00009235364712
                   -1 :              -0.00006793486994
                   +0 :              -0.00013419904833
                   +1 :              -0.00003259906403
                   +2 :              -0.00006826338904
              6 vec=   -10.583355      3.115717     -5.671791   |vec|=   12.405012
                1s
                   +0 :               0.00048147495068
                2s
                   +0 :              -0.00516180197748
                3s
                   +0 :               0.00080426072650
                2p
                   -1 :               0.00045424632396
                   +0 :              -0.00067220895224
                   +1 :               0.00217933476903
                3p
                   -1 :              -0.00045569678710
                   +0 :               0.00032729194175
                   +1 :              -0.00020653585660
                3d
                   -2 :              -0.00001771006076
                   -1 :              -0.00002662112143
                   +0 :               0.00002662971579
                   +1 :               0.00007680488990
                   +2 :              -0.00003545052841
              7 vec=   -10.583355     -5.868041     -5.671791   |vec|=   13.364525
                1s
                   +0 :               0.00000140722021
                2s
                   +0 :              -0.00032093526919
                3s
                   +0 :              -0.00009319032253
                2p
                   -1 :               0.00026692371076
                   +0 :              -0.00019677320204
                   +1 :               0.00002374603695
                3p
                   -1 :               0.00014697524424
                   +0 :               0.00006234976627
                   +1 :               0.00002359182789
                3d
                   -2 :              -0.00000691357673
                   -1 :              -0.00000677316703
                   +0 :              -0.00000259910823
                   +1 :               0.00002816919346
                   +2 :               0.00001941791054
              8 vec=    12.757133     -1.376162     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00000590783740
                2s
                   +0 :               0.00063475135165
                3s
                   +0 :               0.00033770777587
                2p
                   -1 :              -0.00015764933257
                   +0 :              -0.00017398016072
                   +1 :               0.00007191618380
                3p
                   -1 :              -0.00015707282666
                   +0 :               0.00018576474495
                   +1 :               0.00065274265081
                3d
                   -2 :              -0.00003332971517
                   -1 :               0.00005736903853
                   +0 :              -0.00012314945878
                   +1 :               0.00005507345473
                   +2 :               0.00008352791328
              9 vec=     4.976970     12.099475     -5.671791   |vec|=   14.259619
                1s
                   +0 :              -0.00010512743245
                2s
                   +0 :               0.00081877743454
                3s
                   +0 :              -0.00018029908813
                2p
                   -1 :               0.00051190855980
                   +0 :              -0.00011270394676
                   +1 :              -0.00042113711305
                3p
                   -1 :              -0.00033958589532
                   +0 :               0.00003805684298
                   +1 :               0.00010699381798
                3d
                   -2 :              -0.00002051993628
                   -1 :              -0.00001405391473
                   +0 :              -0.00001424233857
                   +1 :              -0.00000724819594
                   +2 :               0.00000086381030
             10 vec=    12.757133      7.607596     -5.671791   |vec|=   15.899345
                1s
                   +0 :              -0.00014852804594
                2s
                   +0 :               0.00138691481635
                3s
                   +0 :              -0.00026963000565
                2p
                   -1 :              -0.00014414198983
                   +0 :              -0.00017101997780
                   +1 :               0.00058150958734
                3p
                   -1 :               0.00012127198835
                   +0 :              -0.00000208226583
                   +1 :              -0.00022542017887
                3d
                   -2 :               0.00000065528991
                   -1 :               0.00001432971265
                   +0 :               0.00000998767254
                   +1 :               0.00000505546968
                   +2 :               0.00001054658374
             11 vec=     4.976970    -14.851799     -5.671791   |vec|=   16.658793
                1s
                   +0 :              -0.00001080529054
                2s
                   +0 :               0.00022352939392
                3s
                   +0 :               0.00004524197869
                2p
                   -1 :              -0.00004075560597
                   +0 :               0.00012133700552
                   +1 :              -0.00006060285970
                3p
                   -1 :              -0.00003446260893
                   +0 :              -0.00020972588392
                   +1 :              -0.00000663525544
                3d
                   -2 :               0.00000455039094
                   -1 :               0.00001786544860
                   +0 :               0.00001939210489
                   +1 :               0.00000605952352
                   +2 :              -0.00000234242368
             12 vec=   -10.583355     12.099475     -5.671791   |vec|=   17.046229
                1s
                   +0 :               0.00015239753048
                2s
                   +0 :              -0.00152443786564
                3s
                   +0 :               0.00025450017265
                2p
                   -1 :              -0.00031311614753
                   +0 :               0.00008827431160
                   +1 :               0.00023063578949
                3p
                   -1 :               0.00001414765587
                   +0 :               0.00005074351229
                   +1 :               0.00004443127977
                3d
                   -2 :               0.00000213265372
                   -1 :              -0.00000696547435
                   +0 :              -0.00001573782810
                   +1 :              -0.00001084743898
                   +2 :               0.00000124528172
             13 vec=    12.757133    -10.359920     -5.671791   |vec|=   17.385097
                1s
                   +0 :              -0.00002682362801
                2s
                   +0 :               0.00033883764468
                3s
                   +0 :              -0.00001604030672
                2p
                   -1 :              -0.00009401201838
                   +0 :               0.00003233998351
                   +1 :               0.00007297929490
                3p
                   -1 :               0.00000402454703
                   +0 :              -0.00003760776615
                   +1 :              -0.00000047798397
                3d
                   -2 :               0.00000248963337
                   -1 :               0.00001111907078
                   +0 :               0.00000518574384
                   +1 :               0.00000505949382
                   +2 :              -0.00000384301035
             14 vec=    -2.803193     16.591354     -5.671791   |vec|=   17.756693
                1s
                   +0 :               0.00002561806607
                2s
                   +0 :              -0.00030041148503
                3s
                   +0 :               0.00003104003044
                2p
                   -1 :              -0.00012070259163
                   +0 :              -0.00003429681580
                   +1 :              -0.00013815236431
                3p
                   -1 :              -0.00000852757741
                   +0 :               0.00001181564273
                   +1 :               0.00001213837819
                3d
                   -2 :              -0.00001069820869
                   -1 :              -0.00000776194713
                   +0 :               0.00000409960308
                   +1 :              -0.00000818099165
                   +2 :              -0.00000347880671
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 26)  npairs=  14
              1 vec=     0.209805      3.115717     -5.671791   |vec|=    6.474637
                1s
                   +0 :               0.00056419968164
                2s
                   +0 :              -0.00574349812645
                3s
                   +0 :               0.00147582458853
                2p
                   -1 :               0.00203028339302
                   +0 :               0.00410984353003
                   +1 :              -0.00701428853390
                3p
                   -1 :              -0.00058447663195
                   +0 :              -0.00210668427040
                   +1 :               0.00195542391839
                3d
                   -2 :              -0.00013492393677
                   -1 :              -0.00008865895248
                   +0 :              -0.00011432996398
                   +1 :              -0.00008769724974
                   +2 :              -0.00005763230493
              2 vec=     0.209805     -5.868041     -5.671791   |vec|=    8.163770
                1s
                   +0 :              -0.00103207012919
                2s
                   +0 :               0.01029516614214
                3s
                   +0 :              -0.00169716162998
                2p
                   -1 :              -0.00210566785172
                   +0 :              -0.00633196899497
                   +1 :              -0.00979644147899
                3p
                   -1 :              -0.00005307105462
                   +0 :               0.00039748212334
                   +1 :               0.00285569408505
                3d
                   -2 :               0.00052564706214
                   -1 :               0.00035904920215
                   +0 :               0.00042643061555
                   +1 :               0.00000416180804
                   +2 :              -0.00040970637813
              3 vec=    -7.570358     -1.376162     -5.671791   |vec|=    9.558941
                1s
                   +0 :               0.00000245580714
                2s
                   +0 :              -0.00256416575186
                3s
                   +0 :              -0.00074070231118
                2p
                   -1 :               0.00293455785736
                   +0 :               0.00302933054619
                   +1 :               0.00100792617339
                3p
                   -1 :              -0.00086782994097
                   +0 :              -0.00158131399961
                   +1 :               0.00037196950996
                3d
                   -2 :               0.00005709014262
                   -1 :               0.00020012886015
                   +0 :              -0.00011551836468
                   +1 :              -0.00012573819567
                   +2 :              -0.00016461869552
              4 vec=     7.989968     -1.376162     -5.671791   |vec|=    9.894576
                1s
                   +0 :               0.00013005109450
                2s
                   +0 :               0.00191325432509
                3s
                   +0 :               0.00063018317080
                2p
                   -1 :               0.00083431616823
                   +0 :              -0.00260489486437
                   +1 :               0.00475655488696
                3p
                   -1 :              -0.00254075043931
                   +0 :               0.00178651931633
                   +1 :              -0.00230942071647
                3d
                   -2 :              -0.00019233309735
                   -1 :               0.00005182542602
                   +0 :              -0.00015332098933
                   +1 :              -0.00001222360773
                   +2 :               0.00009729698386
              5 vec=    -7.570358      7.607596     -5.671791   |vec|=   12.138989
                1s
                   +0 :               0.00012306019062
                2s
                   +0 :              -0.00269975704432
                3s
                   +0 :              -0.00019916471221
                2p
                   -1 :              -0.00147238102653
                   +0 :              -0.00058467362157
                   +1 :              -0.00041396418337
                3p
                   -1 :               0.00014829346006
                   +0 :              -0.00004394487137
                   +1 :               0.00051633766976
                3d
                   -2 :               0.00002086935579
                   -1 :              -0.00011557914945
                   +0 :               0.00001274772224
                   +1 :               0.00001079229097
                   +2 :               0.00005107853100
              6 vec=     7.989968      7.607596     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00025507211439
                2s
                   +0 :               0.00322131754183
                3s
                   +0 :              -0.00029709254888
                2p
                   -1 :               0.00214496076864
                   +0 :               0.00147036876921
                   +1 :              -0.00023508601395
                3p
                   -1 :              -0.00042833829161
                   +0 :              -0.00061206730962
                   +1 :               0.00088164899550
                3d
                   -2 :               0.00012582157965
                   -1 :               0.00003652436708
                   +0 :              -0.00007473076050
                   +1 :               0.00002979809980
                   +2 :               0.00000591464984
              7 vec=     0.209805     12.099475     -5.671791   |vec|=   13.364525
                1s
                   +0 :               0.00009104901198
                2s
                   +0 :              -0.00063891875890
                3s
                   +0 :               0.00032637705243
                2p
                   -1 :              -0.00011519011170
                   +0 :               0.00011480026406
                   +1 :              -0.00066180505869
                3p
                   -1 :               0.00019450680612
                   +0 :              -0.00017098977971
                   +1 :               0.00009286896281
                3d
                   -2 :              -0.00001075933610
                   -1 :              -0.00001040637514
                   +0 :              -0.00000547654517
                   +1 :               0.00002600155703
                   +2 :              -0.00001012565158
              8 vec=    -7.570358    -10.359920     -5.671791   |vec|=   14.028809
                1s
                   +0 :              -0.00012150414714
                2s
                   +0 :               0.00082067530771
                3s
                   +0 :              -0.00036226070266
                2p
                   -1 :               0.00004712704508
                   +0 :              -0.00002014450505
                   +1 :              -0.00009617382188
                3p
                   -1 :               0.00021190323774
                   +0 :              -0.00012477072332
                   +1 :               0.00012668319783
                3d
                   -2 :              -0.00003429306397
                   -1 :               0.00004792552256
                   +0 :               0.00002930379828
                   +1 :               0.00001131418485
                   +2 :               0.00002034916083
              9 vec=     7.989968    -10.359920     -5.671791   |vec|=   14.259619
                1s
                   +0 :              -0.00003228722731
                2s
                   +0 :               0.00045941149216
                3s
                   +0 :              -0.00007747761713
                2p
                   -1 :              -0.00024816082199
                   +0 :               0.00024111494816
                   +1 :               0.00006822651928
                3p
                   -1 :              -0.00000939111093
                   +0 :              -0.00005530042012
                   +1 :               0.00018442250009
                3d
                   -2 :              -0.00001270583461
                   -1 :              -0.00003424398619
                   +0 :              -0.00002995336049
                   +1 :               0.00002376551597
                   +2 :              -0.00001043053694
             10 vec=     0.209805    -14.851799     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00003144561462
                2s
                   +0 :              -0.00013288313830
                3s
                   +0 :               0.00009495080558
                2p
                   -1 :               0.00002198097537
                   +0 :               0.00022675569770
                   +1 :               0.00005620099597
                3p
                   -1 :              -0.00004875988107
                   +0 :              -0.00009242727863
                   +1 :              -0.00003776459253
                3d
                   -2 :              -0.00000750098472
                   -1 :              -0.00000250461269
                   +0 :              -0.00000660010493
                   +1 :               0.00000271144083
                   +2 :               0.00000331442704
             11 vec=   -15.350520      3.115717     -5.671791   |vec|=   16.658793
                1s
                   +0 :               0.00016071875561
                2s
                   +0 :              -0.00177105275408
                3s
                   +0 :               0.00022306244489
                2p
                   -1 :              -0.00000449058588
                   +0 :               0.00001452906475
                   +1 :               0.00091766738012
                3p
                   -1 :              -0.00009691227325
                   +0 :               0.00020396624824
                   +1 :              -0.00025585869449
                3d
                   -2 :               0.00002286891875
                   -1 :               0.00002638809649
                   +0 :              -0.00001760342746
                   +1 :              -0.00003208174958
                   +2 :              -0.00001518758730
             12 vec=    15.770130      3.115717     -5.671791   |vec|=   17.046229
                1s
                   +0 :              -0.00012044193219
                2s
                   +0 :               0.00123700258033
                3s
                   +0 :              -0.00018721648646
                2p
                   -1 :               0.00005633159064
                   +0 :              -0.00014111465220
                   +1 :               0.00000788571518
                3p
                   -1 :               0.00005935051016
                   +0 :              -0.00005912152109
                   +1 :               0.00019031759479
                3d
                   -2 :              -0.00000335619122
                   -1 :              -0.00001199126624
                   +0 :               0.00003158280626
                   +1 :              -0.00000382815844
                   +2 :              -0.00000530844405
             13 vec=   -15.350520     -5.868041     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00002209482986
                2s
                   +0 :              -0.00030649182388
                3s
                   +0 :               0.00000861149425
                2p
                   -1 :               0.00015423334623
                   +0 :              -0.00002539271109
                   +1 :               0.00004438485387
                3p
                   -1 :              -0.00002776100399
                   +0 :              -0.00001094655725
                   +1 :               0.00004315787363
                3d
                   -2 :               0.00000373208432
                   -1 :               0.00001042128812
                   +0 :               0.00000687163849
                   +1 :              -0.00000810496295
                   +2 :              -0.00000184754728
             14 vec=    15.770130     -5.868041     -5.671791   |vec|=   17.756693
                1s
                   +0 :              -0.00004731197353
                2s
                   +0 :               0.00046137526835
                3s
                   +0 :              -0.00007401639121
                2p
                   -1 :              -0.00012161791444
                   +0 :              -0.00002853509557
                   +1 :               0.00020056741005
                3p
                   -1 :               0.00001195321696
                   +0 :               0.00007527756014
                   +1 :              -0.00008250606045
                3d
                   -2 :               0.00000151258815
                   -1 :              -0.00001551142349
                   +0 :              -0.00000459174239
                   +1 :               0.00000407478741
                   +2 :              -0.00001227464944
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 27)  npairs=  14
              1 vec=     2.593388     -1.739555     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00053764708705
                2s
                   +0 :               0.00689662545756
                3s
                   +0 :              -0.00006968464642
                2p
                   -1 :              -0.00899107745925
                   +0 :              -0.00491060627360
                   +1 :              -0.00515211603987
                3p
                   -1 :               0.00681024684753
                   +0 :               0.00227186553066
                   +1 :               0.00071331176491
                3d
                   -2 :               0.00055664825999
                   -1 :              -0.00049438058129
                   +0 :              -0.00006026424699
                   +1 :               0.00014408987153
                   +2 :              -0.00019262420368
              2 vec=    -5.186775      2.752324     -5.671791   |vec|=    8.163770
                1s
                   +0 :               0.00374281533458
                2s
                   +0 :              -0.03534068506076
                3s
                   +0 :               0.00605958564253
                2p
                   -1 :              -0.00737989287812
                   +0 :               0.01837780744377
                   +1 :               0.00627098416496
                3p
                   -1 :               0.00316715189742
                   +0 :              -0.00267765747189
                   +1 :               0.00003621324744
                3d
                   -2 :               0.00067254106875
                   -1 :               0.00008086417199
                   +0 :              -0.00129884433722
                   +1 :              -0.00102144728812
                   +2 :              -0.00034414177895
              3 vec=     2.593388      7.244203     -5.671791   |vec|=    9.558941
                1s
                   +0 :               0.00005056995988
                2s
                   +0 :               0.00003379359057
                3s
                   +0 :               0.00065863678818
                2p
                   -1 :               0.00018417927443
                   +0 :               0.00150076303893
                   +1 :              -0.00067854638046
                3p
                   -1 :              -0.00002045346023
                   +0 :              -0.00099496490189
                   +1 :              -0.00027234229506
                3d
                   -2 :              -0.00005938100301
                   -1 :              -0.00001458263511
                   +0 :               0.00009532023653
                   +1 :              -0.00015542376787
                   +2 :               0.00015955059743
              4 vec=    -5.186775     -6.231434     -5.671791   |vec|=    9.894576
                1s
                   +0 :              -0.00002586599883
                2s
                   +0 :              -0.00078699510169
                3s
                   +0 :               0.00034571250014
                2p
                   -1 :               0.00332011043813
                   +0 :               0.00156716515085
                   +1 :               0.00124490084352
                3p
                   -1 :              -0.00240148322447
                   +0 :              -0.00170050611411
                   +1 :              -0.00013453034683
                3d
                   -2 :              -0.00007715143808
                   -1 :               0.00005452380274
                   +0 :               0.00020391145225
                   +1 :              -0.00000488956441
                   +2 :               0.00001888126063
              5 vec=    10.373550      2.752324     -5.671791   |vec|=   12.138989
                1s
                   +0 :              -0.00006372717435
                2s
                   +0 :               0.00218494737250
                3s
                   +0 :               0.00038929026285
                2p
                   -1 :              -0.00126139766004
                   +0 :              -0.00074061896876
                   +1 :               0.00040595060155
                3p
                   -1 :               0.00095106007556
                   +0 :              -0.00001923629108
                   +1 :               0.00018354272264
                3d
                   -2 :              -0.00004674163304
                   -1 :              -0.00005417899396
                   +0 :               0.00012145132609
                   +1 :               0.00003035776987
                   +2 :              -0.00007049964128
              6 vec=     2.593388    -10.723313     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00022640283629
                2s
                   +0 :               0.00194048443566
                3s
                   +0 :              -0.00050716817762
                2p
                   -1 :              -0.00079134618719
                   +0 :              -0.00079815981697
                   +1 :              -0.00049207728210
                3p
                   -1 :               0.00050037818658
                   +0 :               0.00028477536787
                   +1 :               0.00031386341735
                3d
                   -2 :               0.00001823246424
                   -1 :              -0.00003575745155
                   +0 :               0.00004810104471
                   +1 :              -0.00000138410233
                   +2 :               0.00010953410756
              7 vec=    10.373550     -6.231434     -5.671791   |vec|=   13.364525
                1s
                   +0 :              -0.00009245623219
                2s
                   +0 :               0.00095985402809
                3s
                   +0 :              -0.00023318672990
                2p
                   -1 :              -0.00051783786489
                   +0 :               0.00008197293798
                   +1 :               0.00001189076653
                3p
                   -1 :               0.00023073678392
                   +0 :               0.00010864001344
                   +1 :               0.00001706685528
                3d
                   -2 :               0.00001674901889
                   -1 :              -0.00001046699930
                   +0 :               0.00000807565340
                   +1 :               0.00003023182576
                   +2 :               0.00000131560417
              8 vec=    -5.186775     11.736082     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00011559630973
                2s
                   +0 :              -0.00145542665936
                3s
                   +0 :               0.00002455292678
                2p
                   -1 :              -0.00020083135879
                   +0 :               0.00019412466577
                   +1 :              -0.00018947036418
                3p
                   -1 :              -0.00042816564465
                   +0 :              -0.00006099402163
                   +1 :               0.00007017027916
                3d
                   -2 :               0.00002090301503
                   -1 :               0.00001475064119
                   +0 :               0.00009384566050
                   +1 :               0.00004137214452
                   +2 :               0.00005110425252
              9 vec=   -12.966938     -1.739555     -5.671791   |vec|=   14.259619
                1s
                   +0 :               0.00013741465976
                2s
                   +0 :              -0.00127818892670
                3s
                   +0 :               0.00025777670526
                2p
                   -1 :               0.00055567520619
                   +0 :              -0.00012841100140
                   +1 :               0.00048178409638
                3p
                   -1 :              -0.00010743329744
                   +0 :               0.00001724357714
                   +1 :              -0.00014024891245
                3d
                   -2 :              -0.00000683169382
                   -1 :               0.00000270971192
                   +0 :               0.00004419569906
                   +1 :               0.00002574377481
                   +2 :               0.00000198384723
             10 vec=   -12.966938      7.244203     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00011708243132
                2s
                   +0 :              -0.00125403167805
                3s
                   +0 :               0.00017467920007
                2p
                   -1 :              -0.00051601109218
                   +0 :              -0.00005573571990
                   +1 :               0.00017498858364
                3p
                   -1 :               0.00019877055858
                   +0 :               0.00009450954446
                   +1 :               0.00001565953267
                3d
                   -2 :               0.00000284038402
                   -1 :               0.00000388256145
                   +0 :              -0.00000338756761
                   +1 :               0.00001846240865
                   +2 :              -0.00000013303564
             11 vec=    10.373550     11.736082     -5.671791   |vec|=   16.658793
                1s
                   +0 :              -0.00014991346507
                2s
                   +0 :               0.00154752336015
                3s
                   +0 :              -0.00026830442357
                2p
                   -1 :               0.00082458378353
                   +0 :              -0.00013586607027
                   +1 :               0.00039712583155
                3p
                   -1 :              -0.00028152127053
                   +0 :               0.00000575963568
                   +1 :              -0.00007716397921
                3d
                   -2 :               0.00002483389286
                   -1 :              -0.00001090453890
                   +0 :              -0.00000178867744
                   +1 :              -0.00002039194261
                   +2 :               0.00000709930496
             12 vec=    -5.186775    -15.215192     -5.671791   |vec|=   17.046229
                1s
                   +0 :              -0.00003195559829
                2s
                   +0 :               0.00028743528531
                3s
                   +0 :              -0.00006728368619
                2p
                   -1 :              -0.00032129950149
                   +0 :               0.00005284034060
                   +1 :              -0.00020069037429
                3p
                   -1 :               0.00016309033788
                   +0 :               0.00000837800880
                   +1 :               0.00007822761714
                3d
                   -2 :               0.00000506392425
                   -1 :              -0.00000339949504
                   +0 :              -0.00001584497817
                   +1 :              -0.00000298533526
                   +2 :              -0.00000678506032
             13 vec=     2.593388     16.227961     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00000472879815
                2s
                   +0 :              -0.00003234582079
                3s
                   +0 :               0.00000742881248
                2p
                   -1 :               0.00000534715158
                   +0 :              -0.00000694727242
                   +1 :              -0.00015630471774
                3p
                   -1 :               0.00002592153272
                   +0 :               0.00004855432340
                   +1 :               0.00004886703949
                3d
                   -2 :               0.00000138273714
                   -1 :              -0.00000063057455
                   +0 :              -0.00001205738233
                   +1 :              -0.00000091843706
                   +2 :              -0.00000176928473
             14 vec=   -12.966938    -10.723313     -5.671791   |vec|=   17.756693
                1s
                   +0 :               0.00002169390746
                2s
                   +0 :              -0.00016096378331
                3s
                   +0 :               0.00004297636077
                2p
                   -1 :               0.00017217967633
                   +0 :               0.00006283191137
                   +1 :               0.00003200021568
                3p
                   -1 :              -0.00008025166842
                   +0 :              -0.00008709320288
                   +1 :              -0.00005292072935
                3d
                   -2 :               0.00000302461298
                   -1 :              -0.00000102286930
                   +0 :               0.00000049213931
                   +1 :               0.00000465814128
                   +2 :               0.00000269813218
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 28)  npairs=  13
              1 vec=     0.209286     -3.115418      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00004286294613
                2s
                   +0 :              -0.00205357112681
                3s
                   +0 :              -0.00046959531801
                2p
                   -1 :              -0.00041916214223
                   +0 :              -0.00508358078320
                   +1 :               0.01188815949486
                3p
                   -1 :               0.00119940550310
                   +0 :               0.00256088466379
                   +1 :              -0.00245210007750
                3d
                   -2 :              -0.00057824604295
                   -1 :               0.00029712228383
                   +0 :               0.00008523859663
                   +1 :               0.00069459261980
                   +2 :              -0.00019393370469
              2 vec=     0.209286      5.868340      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00013753002466
                2s
                   +0 :               0.00005542428761
                3s
                   +0 :               0.00021102931484
                2p
                   -1 :              -0.00072162127440
                   +0 :              -0.00247842261152
                   +1 :               0.00580659123087
                3p
                   -1 :               0.00061664815388
                   +0 :               0.00204940565001
                   +1 :              -0.00139871021869
                3d
                   -2 :               0.00036901903526
                   -1 :               0.00005722791030
                   +0 :               0.00015753054142
                   +1 :               0.00008271536977
                   +2 :               0.00001403655601
              3 vec=    -7.570876      1.376461      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00012718351070
                2s
                   +0 :               0.00259469498943
                3s
                   +0 :               0.00021690462730
                2p
                   -1 :               0.00214673302173
                   +0 :               0.00038239568939
                   +1 :              -0.00161742134790
                3p
                   -1 :              -0.00083866814180
                   +0 :               0.00074218804600
                   +1 :               0.00015192530130
                3d
                   -2 :               0.00006082759278
                   -1 :               0.00003572266943
                   +0 :               0.00013217698348
                   +1 :              -0.00010567707728
                   +2 :              -0.00000037451858
              4 vec=     7.989449      1.376461      6.601980   |vec|=   10.455242
                1s
                   +0 :               0.00019318164594
                2s
                   +0 :              -0.00248770611608
                3s
                   +0 :              -0.00000790575528
                2p
                   -1 :              -0.00238097583764
                   +0 :               0.00003314200493
                   +1 :              -0.00125224253465
                3p
                   -1 :               0.00095722872173
                   +0 :              -0.00067967541900
                   +1 :              -0.00007275451336
                3d
                   -2 :              -0.00009060364206
                   -1 :              -0.00005593410480
                   +0 :              -0.00013977214260
                   +1 :              -0.00005529736687
                   +2 :               0.00000531632893
              5 vec=    -7.570876     -7.607297      6.601980   |vec|=   12.600606
                1s
                   +0 :              -0.00021424856017
                2s
                   +0 :               0.00243771654590
                3s
                   +0 :              -0.00010246581512
                2p
                   -1 :              -0.00163721932170
                   +0 :              -0.00037616783510
                   +1 :               0.00035645236063
                3p
                   -1 :               0.00010663101928
                   +0 :              -0.00021715045999
                   +1 :              -0.00057697693899
                3d
                   -2 :               0.00010948625754
                   -1 :               0.00006419597001
                   +0 :              -0.00004532349296
                   +1 :               0.00005347712779
                   +2 :              -0.00006314601828
              6 vec=     7.989449     -7.607297      6.601980   |vec|=   12.856453
                1s
                   +0 :               0.00033125930579
                2s
                   +0 :              -0.00319373539642
                3s
                   +0 :               0.00062515653026
                2p
                   -1 :               0.00127090281712
                   +0 :               0.00022825749003
                   +1 :              -0.00000822328419
                3p
                   -1 :              -0.00006025681920
                   +0 :               0.00031195248826
                   +1 :              -0.00035422750751
                3d
                   -2 :               0.00004437577266
                   -1 :              -0.00005203023188
                   +0 :               0.00001722000456
                   +1 :               0.00000615559816
                   +2 :               0.00001673851016
              7 vec=     0.209286    -12.099176      6.601980   |vec|=   13.784774
                1s
                   +0 :              -0.00004749570047
                2s
                   +0 :               0.00057945393549
                3s
                   +0 :              -0.00012099186464
                2p
                   -1 :              -0.00000469960910
                   +0 :               0.00040556838586
                   +1 :              -0.00030086046908
                3p
                   -1 :              -0.00012238729690
                   +0 :              -0.00010312168117
                   +1 :               0.00028751806534
                3d
                   -2 :               0.00000606535283
                   -1 :              -0.00000859690927
                   +0 :              -0.00001923857921
                   +1 :              -0.00002410477557
                   +2 :              -0.00000559638505
              8 vec=    -7.570876     10.360219      6.601980   |vec|=   14.430470
                1s
                   +0 :              -0.00009896191334
                2s
                   +0 :               0.00079702648772
                3s
                   +0 :              -0.00032041532006
                2p
                   -1 :               0.00095824072413
                   +0 :               0.00002622737410
                   +1 :              -0.00062426399043
                3p
                   -1 :              -0.00045351835756
                   +0 :              -0.00010286972153
                   +1 :               0.00034335940184
                3d
                   -2 :              -0.00000003563926
                   -1 :              -0.00001417465341
                   +0 :              -0.00000918478985
                   +1 :              -0.00000633316670
                   +2 :              -0.00001122029377
              9 vec=     7.989449     10.360219      6.601980   |vec|=   14.654405
                1s
                   +0 :               0.00005095716625
                2s
                   +0 :              -0.00054559244556
                3s
                   +0 :               0.00004944174575
                2p
                   -1 :              -0.00033903909100
                   +0 :              -0.00041575754285
                   +1 :              -0.00000941696078
                3p
                   -1 :              -0.00002463220332
                   +0 :               0.00022057939801
                   +1 :              -0.00017143977402
                3d
                   -2 :              -0.00002953446742
                   -1 :              -0.00001548502236
                   +0 :               0.00000049185144
                   +1 :              -0.00000632048344
                   +2 :               0.00001091034522
             10 vec=     0.209286     14.852098      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00000361042342
                2s
                   +0 :               0.00005466201535
                3s
                   +0 :              -0.00001639710062
                2p
                   -1 :               0.00001208263074
                   +0 :               0.00009509157528
                   +1 :              -0.00008981672801
                3p
                   -1 :               0.00003129755120
                   +0 :              -0.00008352643119
                   +1 :               0.00001735655942
                3d
                   -2 :               0.00000274331226
                   -1 :              -0.00000755838519
                   +0 :              -0.00000640360413
                   +1 :               0.00000321682758
                   +2 :               0.00000849649219
             11 vec=   -15.351039     -3.115418      6.601980   |vec|=   16.998422
                1s
                   +0 :              -0.00007350168699
                2s
                   +0 :               0.00087178065838
                3s
                   +0 :              -0.00010185643560
                2p
                   -1 :               0.00000884282869
                   +0 :               0.00002950023301
                   +1 :              -0.00052463624945
                3p
                   -1 :              -0.00003831939612
                   +0 :              -0.00006519832392
                   +1 :               0.00021472573644
                3d
                   -2 :               0.00000932847328
                   -1 :               0.00001172780316
                   +0 :               0.00000459814495
                   +1 :               0.00001545641862
                   +2 :              -0.00000135423663
             12 vec=    15.769612     -3.115418      6.601980   |vec|=   17.377359
                1s
                   +0 :               0.00005620875873
                2s
                   +0 :              -0.00061893233776
                3s
                   +0 :               0.00007115042680
                2p
                   -1 :              -0.00003000424268
                   +0 :               0.00012537427267
                   +1 :              -0.00015501974248
                3p
                   -1 :               0.00005643272169
                   +0 :              -0.00005851658027
                   +1 :              -0.00004400574575
                3d
                   -2 :               0.00000161699587
                   -1 :              -0.00000169148404
                   +0 :               0.00000496164520
                   +1 :              -0.00000297109243
                   +2 :               0.00000122015496
             13 vec=   -15.351039      5.868340      6.601980   |vec|=   17.710956
                1s
                   +0 :              -0.00000907041846
                2s
                   +0 :               0.00003338488113
                3s
                   +0 :              -0.00004062756049
                2p
                   -1 :               0.00021540045517
                   +0 :              -0.00019130124167
                   +1 :              -0.00000272478535
                3p
                   -1 :              -0.00010174414389
                   +0 :               0.00006569153086
                   +1 :              -0.00001111499040
                3d
                   -2 :              -0.00000120853437
                   -1 :              -0.00000620998686
                   +0 :              -0.00001044491212
                   +1 :              -0.00000193687200
                   +2 :               0.00000272129085
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 29)  npairs=  13
              1 vec=    -2.802674      1.376461      6.601980   |vec|=    7.303134
                1s
                   +0 :              -0.00228988454544
                2s
                   +0 :               0.02082080370471
                3s
                   +0 :              -0.00323127176891
                2p
                   -1 :               0.00869352298069
                   +0 :               0.00728375014632
                   +1 :              -0.00004650430370
                3p
                   -1 :              -0.00346487812776
                   +0 :               0.00069837804477
                   +1 :               0.00035654525062
                3d
                   -2 :               0.00021300698851
                   -1 :               0.00037331439292
                   +0 :               0.00038917522163
                   +1 :               0.00002242181554
                   +2 :              -0.00048605804529
              2 vec=     4.977489     -3.115418      6.601980   |vec|=    8.835573
                1s
                   +0 :               0.00183317662125
                2s
                   +0 :              -0.01662839495554
                3s
                   +0 :               0.00114735775028
                2p
                   -1 :               0.00401629256115
                   +0 :              -0.00622867099387
                   +1 :              -0.00523791636868
                3p
                   -1 :               0.00126598960324
                   +0 :              -0.00228449119846
                   +1 :               0.00031921478762
                3d
                   -2 :               0.00074464222623
                   -1 :               0.00081313674030
                   +0 :              -0.00065284606389
                   +1 :              -0.00098456532920
                   +2 :               0.00004638895041
              3 vec=     4.977489      5.868340      6.601980   |vec|=   10.138982
                1s
                   +0 :               0.00025731060578
                2s
                   +0 :              -0.00303877052091
                3s
                   +0 :               0.00071858593366
                2p
                   -1 :              -0.00162670310192
                   +0 :              -0.00045643019958
                   +1 :              -0.00225761730860
                3p
                   -1 :               0.00030494240217
                   +0 :               0.00044457793595
                   +1 :               0.00105977732582
                3d
                   -2 :              -0.00011236126132
                   -1 :              -0.00000976750457
                   +0 :              -0.00002469779646
                   +1 :               0.00018168042438
                   +2 :               0.00009653313431
              4 vec=    -2.802674     -7.607297      6.601980   |vec|=   10.455242
                1s
                   +0 :              -0.00006784113919
                2s
                   +0 :               0.00065814660221
                3s
                   +0 :              -0.00000467211335
                2p
                   -1 :              -0.00038328799677
                   +0 :               0.00085060661057
                   +1 :               0.00051706251694
                3p
                   -1 :               0.00043312807536
                   +0 :              -0.00007970233889
                   +1 :               0.00042251353098
                3d
                   -2 :              -0.00014874235969
                   -1 :              -0.00004002788082
                   +0 :               0.00010871938532
                   +1 :              -0.00001384422735
                   +2 :               0.00001141457307
              5 vec=    -2.802674     10.360219      6.601980   |vec|=   12.600606
                1s
                   +0 :               0.00002946103756
                2s
                   +0 :              -0.00018983495063
                3s
                   +0 :               0.00009607217766
                2p
                   -1 :               0.00026670343964
                   +0 :               0.00010345493468
                   +1 :               0.00079482836843
                3p
                   -1 :              -0.00052989576194
                   +0 :               0.00025075423715
                   +1 :              -0.00036824830730
                3d
                   -2 :               0.00003277322378
                   -1 :               0.00001294145488
                   +0 :               0.00010421206338
                   +1 :              -0.00001029166319
                   +2 :               0.00003986784651
              6 vec=   -10.582837     -3.115418      6.601980   |vec|=   12.856453
                1s
                   +0 :              -0.00041155989921
                2s
                   +0 :               0.00365024727852
                3s
                   +0 :              -0.00082173226563
                2p
                   -1 :               0.00082707879566
                   +0 :               0.00030071160183
                   +1 :              -0.00136204183851
                3p
                   -1 :              -0.00049768768534
                   +0 :              -0.00037586808824
                   +1 :               0.00027846048329
                3d
                   -2 :              -0.00004940239958
                   -1 :              -0.00003875211217
                   +0 :               0.00002295007121
                   +1 :               0.00006804559882
                   +2 :               0.00001473137975
              7 vec=   -10.582837      5.868340      6.601980   |vec|=   13.784774
                1s
                   +0 :               0.00009473459857
                2s
                   +0 :              -0.00080909266182
                3s
                   +0 :               0.00034142348091
                2p
                   -1 :              -0.00011317536330
                   +0 :              -0.00090562270945
                   +1 :               0.00020705805742
                3p
                   -1 :               0.00020185331419
                   +0 :               0.00027790010756
                   +1 :              -0.00026092376896
                3d
                   -2 :              -0.00001191795141
                   -1 :              -0.00001040747534
                   +0 :              -0.00001625674479
                   +1 :              -0.00001393524012
                   +2 :               0.00001449439631
              8 vec=    12.757651      1.376461      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00008012263420
                2s
                   +0 :              -0.00088136559823
                3s
                   +0 :               0.00013727016893
                2p
                   -1 :              -0.00013540560802
                   +0 :               0.00016934162607
                   +1 :              -0.00063817364281
                3p
                   -1 :              -0.00012545355601
                   +0 :               0.00001430949573
                   +1 :               0.00024413626946
                3d
                   -2 :              -0.00000804349546
                   -1 :              -0.00000423680443
                   +0 :               0.00002636893874
                   +1 :               0.00000471728575
                   +2 :               0.00001468460402
              9 vec=     4.977489    -12.099176      6.601980   |vec|=   14.654405
                1s
                   +0 :               0.00000786620730
                2s
                   +0 :              -0.00010938006244
                3s
                   +0 :              -0.00000570515864
                2p
                   -1 :               0.00014232349873
                   +0 :               0.00048244419117
                   +1 :               0.00036368708945
                3p
                   -1 :              -0.00006388140918
                   +0 :              -0.00021611508087
                   +1 :               0.00000226903093
                3d
                   -2 :              -0.00002050489494
                   -1 :               0.00000455412365
                   +0 :               0.00000364393681
                   +1 :               0.00001884157985
                   +2 :              -0.00001428324106
             10 vec=    12.757651     -7.607297      6.601980   |vec|=   16.254684
                1s
                   +0 :               0.00006844190285
                2s
                   +0 :              -0.00078734253874
                3s
                   +0 :               0.00012528479495
                2p
                   -1 :               0.00013659513169
                   +0 :               0.00000234469251
                   +1 :              -0.00042934722507
                3p
                   -1 :              -0.00007996078002
                   +0 :               0.00001247010434
                   +1 :               0.00014780620964
                3d
                   -2 :              -0.00000564234150
                   -1 :              -0.00000479647541
                   +0 :               0.00000189924296
                   +1 :              -0.00001335845473
                   +2 :               0.00000507845559
             11 vec=     4.977489     14.852098      6.601980   |vec|=   16.998422
                1s
                   +0 :              -0.00003515920745
                2s
                   +0 :               0.00027349901926
                3s
                   +0 :              -0.00007573317230
                2p
                   -1 :               0.00005311466438
                   +0 :               0.00012286589719
                   +1 :               0.00005105622525
                3p
                   -1 :               0.00002126661252
                   +0 :              -0.00004053883065
                   +1 :               0.00002606704790
                3d
                   -2 :               0.00000649665201
                   -1 :               0.00000223076886
                   +0 :              -0.00000427348091
                   +1 :               0.00000212872760
                   +2 :              -0.00000833788502
             12 vec=   -10.582837    -12.099176      6.601980   |vec|=   17.377359
                1s
                   +0 :              -0.00010295220776
                2s
                   +0 :               0.00101666279701
                3s
                   +0 :              -0.00018660150604
                2p
                   -1 :              -0.00040411002398
                   +0 :              -0.00007402072253
                   +1 :              -0.00022078533845
                3p
                   -1 :               0.00010140361907
                   +0 :               0.00009014915940
                   +1 :               0.00002815131666
                3d
                   -2 :               0.00000666762521
                   -1 :              -0.00000421383408
                   +0 :               0.00000104732436
                   +1 :              -0.00000080682360
                   +2 :               0.00000030797869
             13 vec=    12.757651     10.360219      6.601980   |vec|=   17.710956
                1s
                   +0 :               0.00001614323137
                2s
                   +0 :              -0.00008749390538
                3s
                   +0 :               0.00003116700992
                2p
                   -1 :               0.00004041248572
                   +0 :               0.00009568144070
                   +1 :              -0.00010704022168
                3p
                   -1 :              -0.00003772524973
                   +0 :              -0.00006664195216
                   +1 :               0.00003338461741
                3d
                   -2 :               0.00000272573446
                   -1 :              -0.00000261064846
                   +0 :              -0.00000011584921
                   +1 :              -0.00000267707557
                   +2 :               0.00000006280697
WF             site_B          number of pairs
WF(  1)=[Cr 3dxy]  to site O ( 30)  npairs=  13
              1 vec=     2.593388      1.738956      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00224702159931
                2s
                   +0 :              -0.01876723257790
                3s
                   +0 :               0.00370086708692
                2p
                   -1 :              -0.00619854161595
                   +0 :              -0.00220016936312
                   +1 :              -0.00197098921756
                3p
                   -1 :               0.00129962189204
                   +0 :              -0.00325926270856
                   +1 :               0.00299161070135
                3d
                   -2 :               0.00007036757280
                   -1 :              -0.00024689865380
                   +0 :              -0.00047441381826
                   +1 :               0.00029252291563
                   +2 :               0.00034524935108
              2 vec=    -5.186775     -2.752923      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00169564659659
                2s
                   +0 :               0.01657297066793
                3s
                   +0 :              -0.00135838706513
                2p
                   -1 :              -0.00791748851012
                   +0 :               0.00870709360539
                   +1 :              -0.00381881631143
                3p
                   -1 :               0.00242908557583
                   +0 :               0.00023508554846
                   +1 :              -0.00110209390641
                3d
                   -2 :               0.00052881263532
                   -1 :              -0.00048910987297
                   +0 :               0.00049531552247
                   +1 :              -0.00110556122944
                   +2 :               0.00035551197884
              3 vec=     2.593388     -7.244802      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00013012709508
                2s
                   +0 :               0.00044407553148
                3s
                   +0 :              -0.00093549056095
                2p
                   -1 :              -0.00029441100546
                   +0 :               0.00007403451020
                   +1 :               0.00133037221439
                3p
                   -1 :               0.00051936004630
                   +0 :              -0.00118676598195
                   +1 :              -0.00038454446954
                3d
                   -2 :              -0.00010969132349
                   -1 :               0.00026183647884
                   +0 :              -0.00010747918701
                   +1 :               0.00007739731986
                   +2 :              -0.00010190663944
              4 vec=    -5.186775      6.230835      6.601980   |vec|=   10.455242
                1s
                   +0 :              -0.00012534050674
                2s
                   +0 :               0.00182955951387
                3s
                   +0 :               0.00001257786863
                2p
                   -1 :               0.00015013120451
                   +0 :              -0.00088374861551
                   +1 :              -0.00209763842787
                3p
                   -1 :               0.00112409310663
                   +0 :               0.00075937775789
                   +1 :               0.00062876398271
                3d
                   -2 :              -0.00012495423521
                   -1 :              -0.00001208152093
                   +0 :               0.00003105275729
                   +1 :              -0.00004834599116
                   +2 :              -0.00004198415541
              5 vec=    10.373550     -2.752923      6.601980   |vec|=   12.600606
                1s
                   +0 :               0.00018478752260
                2s
                   +0 :              -0.00224788159527
                3s
                   +0 :               0.00000639363746
                2p
                   -1 :              -0.00030561318186
                   +0 :               0.00027271290042
                   +1 :              -0.00107320511364
                3p
                   -1 :              -0.00003086807379
                   +0 :              -0.00003360377717
                   +1 :               0.00007863573958
                3d
                   -2 :              -0.00001808288318
                   -1 :              -0.00001665668052
                   +0 :              -0.00005888857041
                   +1 :               0.00006598044446
                   +2 :              -0.00007807452192
              6 vec=     2.593388     10.722714      6.601980   |vec|=   12.856453
                1s
                   +0 :               0.00008030059342
                2s
                   +0 :              -0.00045651188210
                3s
                   +0 :               0.00019657573536
                2p
                   -1 :              -0.00012345045378
                   +0 :              -0.00052896909186
                   +1 :              -0.00030076968395
                3p
                   -1 :               0.00026895162043
                   +0 :               0.00006391559999
                   +1 :               0.00034094273037
                3d
                   -2 :              -0.00000077508754
                   -1 :               0.00000820714078
                   +0 :              -0.00004017007576
                   +1 :               0.00002560140951
                   +2 :              -0.00006547933453
              7 vec=    10.373550      6.230835      6.601980   |vec|=   13.784774
                1s
                   +0 :              -0.00004723889810
                2s
                   +0 :               0.00022963872633
                3s
                   +0 :              -0.00022043161627
                2p
                   -1 :               0.00038093286080
                   +0 :               0.00050005432359
                   +1 :               0.00004704155301
                3p
                   -1 :              -0.00043523155236
                   +0 :              -0.00017477842639
                   +1 :              -0.00026750345795
                3d
                   -2 :              -0.00002032542633
                   -1 :              -0.00000069511626
                   +0 :               0.00003549532399
                   +1 :              -0.00001745201163
                   +2 :              -0.00001112499269
              8 vec=    -5.186775    -11.736681      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00001883927915
                2s
                   +0 :               0.00008433911051
                3s
                   +0 :               0.00018314515113
                2p
                   -1 :               0.00039937144574
                   +0 :              -0.00019556900017
                   +1 :               0.00031590668978
                3p
                   -1 :              -0.00037541571007
                   +0 :               0.00008856022580
                   +1 :               0.00000963538343
                3d
                   -2 :              -0.00002647386693
                   -1 :               0.00000036424362
                   +0 :              -0.00001718414889
                   +1 :              -0.00000941437015
                   +2 :              -0.00000520285177
              9 vec=   -12.966938      1.738956      6.601980   |vec|=   14.654405
                1s
                   +0 :              -0.00005882337354
                2s
                   +0 :               0.00065497250799
                3s
                   +0 :              -0.00004373658711
                2p
                   -1 :               0.00022475978962
                   +0 :              -0.00006668664831
                   +1 :              -0.00023973716680
                3p
                   -1 :               0.00010617943170
                   +0 :              -0.00000446431714
                   +1 :              -0.00005059456219
                3d
                   -2 :              -0.00000320139545
                   -1 :               0.00001632553667
                   +0 :              -0.00000413578825
                   +1 :              -0.00001109386131
                   +2 :               0.00000613339123
             10 vec=   -12.966938     -7.244802      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00006483147943
                2s
                   +0 :               0.00073268052339
                3s
                   +0 :              -0.00010888769433
                2p
                   -1 :              -0.00021970315460
                   +0 :              -0.00009743626779
                   +1 :              -0.00036741296544
                3p
                   -1 :               0.00008864109660
                   +0 :               0.00007105632685
                   +1 :               0.00017893392575
                3d
                   -2 :               0.00000151059191
                   -1 :              -0.00002053204585
                   +0 :               0.00000450436117
                   +1 :              -0.00000746269761
                   +2 :              -0.00000047471529
             11 vec=    10.373550    -11.736681      6.601980   |vec|=   16.998422
                1s
                   +0 :               0.00010866089444
                2s
                   +0 :              -0.00114527967763
                3s
                   +0 :               0.00017758960790
                2p
                   -1 :               0.00052954305440
                   +0 :              -0.00015236613020
                   +1 :              -0.00027513054648
                3p
                   -1 :              -0.00017190960871
                   +0 :               0.00010573715458
                   +1 :               0.00006879339498
                3d
                   -2 :               0.00001396057956
                   -1 :              -0.00000456283299
                   +0 :              -0.00000032466404
                   +1 :               0.00001701724608
                   +2 :              -0.00000729848999
             12 vec=    -5.186775     15.214593      6.601980   |vec|=   17.377359
                1s
                   +0 :               0.00004674344904
                2s
                   +0 :              -0.00039773045925
                3s
                   +0 :               0.00011545107924
                2p
                   -1 :              -0.00027401181014
                   +0 :              -0.00005135355014
                   +1 :               0.00013608256984
                3p
                   -1 :               0.00014140801949
                   +0 :              -0.00003163257914
                   +1 :              -0.00004687315410
                3d
                   -2 :               0.00000493227836
                   -1 :              -0.00000107834728
                   +0 :              -0.00000600896957
                   +1 :               0.00000029546120
                   +2 :               0.00000513804014
             13 vec=     2.593388    -16.228560      6.601980   |vec|=   17.710956
                1s
                   +0 :              -0.00000707281291
                2s
                   +0 :               0.00005410902425
                3s
                   +0 :               0.00000946055056
                2p
                   -1 :               0.00003756665257
                   +0 :               0.00009561980097
                   +1 :               0.00009666152339
                3p
                   -1 :              -0.00003119690598
                   +0 :               0.00000095042131
                   +1 :              -0.00004430717516
                3d
                   -2 :               0.00000306091462
                   -1 :              -0.00000505135275
                   +0 :               0.00001056076133
                   +1 :              -0.00000542409227
                   +2 :               0.00000479922566
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al(  1)  npairs=  13
              1 vec=     0.000000      0.000000      5.021445   |vec|=    5.021445
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00349771900489
                   +0 :              -0.00000000000000
                   +1 :               0.00094425301919
                3s
                   +0 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00194633430648
                   +0 :               0.00000000000000
                   +1 :               0.00033362328295
                4p
                   -1 :               0.00183893265256
                   +0 :              -0.00000000000000
                   +1 :              -0.00034273014724
                3d
                   -2 :              -0.00242832501451
                   -1 :               0.00798386234266
                   +0 :              -0.00000000000000
                   +1 :               0.00048231322247
                   +2 :              -0.00176731152272
              2 vec=    -7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00004886192854
                2p
                   -1 :              -0.00055854168486
                   +0 :              -0.00040045774468
                   +1 :               0.00012382737969
                3s
                   +0 :              -0.00072146087349
                4s
                   +0 :               0.00003739785394
                3p
                   -1 :               0.00328224109652
                   +0 :               0.00387235321564
                   +1 :              -0.00135660067880
                4p
                   -1 :              -0.00022019085624
                   +0 :              -0.00066760931045
                   +1 :               0.00038173277002
                3d
                   -2 :              -0.00056484971966
                   -1 :               0.00074412982079
                   +0 :              -0.00053287744607
                   +1 :              -0.00017189756291
                   +2 :               0.00002472212494
              3 vec=    -7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00129998099452
                2p
                   -1 :               0.00012356453533
                   +0 :               0.00029416464140
                   +1 :              -0.00021179180947
                3s
                   +0 :              -0.00554695321944
                4s
                   +0 :               0.00116906381267
                3p
                   -1 :              -0.00048667171120
                   +0 :              -0.00194593786573
                   +1 :               0.00141357739624
                4p
                   -1 :               0.00027684745183
                   +0 :               0.00018902320807
                   +1 :               0.00001592976065
                3d
                   -2 :               0.00047124675991
                   -1 :               0.00033846656022
                   +0 :               0.00027353346713
                   +1 :               0.00009182527268
                   +2 :              -0.00028826755619
              4 vec=     0.000000     -8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00141025265234
                2p
                   -1 :              -0.00000781512216
                   +0 :              -0.00031689954817
                   +1 :               0.00009567258206
                3s
                   +0 :               0.00753943673704
                4s
                   +0 :              -0.00110210477153
                3p
                   -1 :               0.00007627095443
                   +0 :               0.00311738929972
                   +1 :              -0.00012203974520
                4p
                   -1 :              -0.00032949891639
                   +0 :              -0.00025903055145
                   +1 :               0.00006029275820
                3d
                   -2 :               0.00039918174446
                   -1 :               0.00037557119254
                   +0 :              -0.00033647168738
                   +1 :               0.00029346669283
                   +2 :              -0.00034402658929
              5 vec=     0.000000      8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00019261281266
                2p
                   -1 :              -0.00042842696015
                   +0 :               0.00095234353657
                   +1 :               0.00060551129896
                3s
                   +0 :               0.00213230123492
                4s
                   +0 :              -0.00129005499489
                3p
                   -1 :               0.00343216614181
                   +0 :              -0.00804119545464
                   +1 :              -0.00273615968236
                4p
                   -1 :              -0.00107203018606
                   +0 :               0.00122565599545
                   +1 :               0.00046659849429
                3d
                   -2 :              -0.00016361195411
                   -1 :               0.00061481726183
                   +0 :               0.00130349783907
                   +1 :               0.00019398662294
                   +2 :              -0.00148991850741
              6 vec=     7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00024147474120
                2p
                   -1 :              -0.00007633381183
                   +0 :              -0.00055188579189
                   +1 :               0.00025198668232
                3s
                   +0 :              -0.00141084036144
                4s
                   +0 :               0.00125265714095
                3p
                   -1 :               0.00216247047606
                   +0 :               0.00416884223900
                   +1 :              -0.00217621907846
                4p
                   -1 :              -0.00057261464802
                   +0 :              -0.00055804668500
                   +1 :               0.00116188013172
                3d
                   -2 :               0.00094748642834
                   -1 :               0.00099633854110
                   +0 :              -0.00077062039300
                   +1 :               0.00012303249110
                   +2 :              -0.00038511609331
              7 vec=     7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00011027165782
                2p
                   -1 :              -0.00020839726724
                   +0 :               0.00002273490676
                   +1 :              -0.00017183773464
                3s
                   +0 :              -0.00199248351760
                4s
                   +0 :              -0.00006695904114
                3p
                   -1 :               0.00112468307659
                   +0 :              -0.00117145143399
                   +1 :               0.00113329147483
                4p
                   -1 :              -0.00006474521515
                   +0 :               0.00007000734338
                   +1 :              -0.00048700009894
                3d
                   -2 :               0.00038692551303
                   -1 :               0.00018239228408
                   +0 :               0.00006293822025
                   +1 :               0.00022477953695
                   +2 :              -0.00025373693864
              8 vec=   -15.560325     -0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00005753429511
                2p
                   -1 :               0.00001447205840
                   +0 :               0.00001724804639
                   +1 :               0.00002290498244
                3s
                   +0 :              -0.00134500746734
                4s
                   +0 :               0.00012023265544
                3p
                   -1 :              -0.00035292772085
                   +0 :              -0.00062638632797
                   +1 :               0.00025612410854
                4p
                   -1 :               0.00000064364725
                   +0 :               0.00000358936901
                   +1 :              -0.00002302894477
                3d
                   -2 :               0.00011424463512
                   -1 :              -0.00011366898716
                   +0 :              -0.00010804004818
                   +1 :               0.00010734160499
                   +2 :               0.00004844975251
              9 vec=    -7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00018971504466
                2p
                   -1 :               0.00007344006177
                   +0 :              -0.00005546854995
                   +1 :              -0.00004842232761
                3s
                   +0 :               0.00097412531401
                4s
                   +0 :              -0.00030723142093
                3p
                   -1 :              -0.00049825604293
                   +0 :               0.00052516812779
                   +1 :               0.00012938102869
                4p
                   -1 :               0.00013073319824
                   +0 :              -0.00010353132235
                   +1 :              -0.00003928174310
                3d
                   -2 :              -0.00010365064530
                   -1 :              -0.00006969941123
                   +0 :              -0.00005958051692
                   +1 :               0.00002064938172
                   +2 :              -0.00004012056188
             10 vec=    -7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00006831105872
                2p
                   -1 :               0.00002339501281
                   +0 :               0.00003054910779
                   +1 :              -0.00001035546161
                3s
                   +0 :               0.00139146552653
                4s
                   +0 :              -0.00005302090924
                3p
                   -1 :              -0.00008928211919
                   +0 :               0.00015195846992
                   +1 :              -0.00045874956762
                4p
                   -1 :               0.00005142943321
                   +0 :               0.00012813407242
                   +1 :               0.00002917425701
                3d
                   -2 :              -0.00003415877818
                   -1 :               0.00000460638559
                   +0 :               0.00020463372082
                   +1 :              -0.00019554439239
                   +2 :               0.00007646644289
             11 vec=     7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00003518462281
                2p
                   -1 :              -0.00000412898917
                   +0 :              -0.00001686441200
                   +1 :              -0.00001688101388
                3s
                   +0 :              -0.00008986969810
                4s
                   +0 :              -0.00008864457466
                3p
                   -1 :               0.00017447883981
                   +0 :               0.00001681297733
                   +1 :               0.00024015071082
                4p
                   -1 :               0.00000662581309
                   +0 :              -0.00005670331177
                   +1 :              -0.00002539705675
                3d
                   -2 :               0.00006312779346
                   -1 :               0.00008391959127
                   +0 :              -0.00013685212054
                   +1 :               0.00002768906716
                   +2 :               0.00001630543073
             12 vec=     7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00002234967231
                2p
                   -1 :               0.00003962721814
                   +0 :              -0.00000038363439
                   +1 :              -0.00001309699545
                3s
                   +0 :               0.00143487716544
                4s
                   +0 :              -0.00003158808078
                3p
                   -1 :              -0.00007539107231
                   +0 :               0.00060957335064
                   +1 :               0.00070488488934
                4p
                   -1 :               0.00000568557530
                   +0 :               0.00005311394275
                   +1 :              -0.00001903229317
                3d
                   -2 :               0.00006084841504
                   -1 :               0.00005410642329
                   +0 :               0.00024489216872
                   +1 :               0.00023863206448
                   +2 :               0.00007664607506
             13 vec=    15.560325      0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00025802610338
                2p
                   -1 :               0.00008138441029
                   +0 :               0.00002491944216
                   +1 :               0.00001395138913
                3s
                   +0 :              -0.00236559084054
                4s
                   +0 :               0.00036025233017
                3p
                   -1 :              -0.00080310511821
                   +0 :              -0.00067712659771
                   +1 :              -0.00051886607690
                4p
                   -1 :               0.00015036595086
                   +0 :              -0.00002460275007
                   +1 :               0.00006362533209
                3d
                   -2 :              -0.00016987201962
                   -1 :              -0.00021977581334
                   +0 :              -0.00014505320390
                   +1 :              -0.00015179821303
                   +2 :               0.00007835466279
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al(  2)  npairs=  14
              1 vec=     0.000000      0.000000    -12.273771   |vec|=   12.273771
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00002508786334
                   +0 :              -0.00000000000000
                   +1 :               0.00013126648486
                3s
                   +0 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00206217339400
                   +0 :               0.00000000000000
                   +1 :              -0.00077111785169
                4p
                   -1 :              -0.00019119684913
                   +0 :              -0.00000000000000
                   +1 :               0.00022074301919
                3d
                   -2 :               0.00001417909049
                   -1 :              -0.00056646083856
                   +0 :               0.00000000000000
                   +1 :              -0.00007275573392
                   +2 :              -0.00012666129216
              2 vec=     0.000000      0.000000     12.273771   |vec|=   12.273771
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00023319265394
                   +0 :               0.00000000000000
                   +1 :               0.00029524888037
                3s
                   +0 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00011741071807
                   +0 :              -0.00000000000000
                   +1 :              -0.00155697359227
                4p
                   -1 :              -0.00003271341434
                   +0 :               0.00000000000000
                   +1 :               0.00050762184089
                3d
                   -2 :              -0.00051625403579
                   -1 :              -0.00023093313453
                   +0 :              -0.00000000000000
                   +1 :              -0.00011387257561
                   +2 :              -0.00015581360341
              3 vec=    -7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00012972368832
                2p
                   -1 :               0.00004002670643
                   +0 :              -0.00005794711561
                   +1 :              -0.00006142960728
                3s
                   +0 :               0.00002668021912
                4s
                   +0 :              -0.00002199142224
                3p
                   -1 :              -0.00019765867878
                   +0 :               0.00018979951895
                   +1 :               0.00009550824004
                4p
                   -1 :               0.00010676342542
                   +0 :              -0.00005256271873
                   +1 :               0.00001615606878
                3d
                   -2 :               0.00007310913511
                   -1 :               0.00007317841776
                   +0 :               0.00000621245214
                   +1 :              -0.00007070709669
                   +2 :              -0.00013342204395
              4 vec=    -7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00037922555819
                2p
                   -1 :               0.00005550254029
                   +0 :               0.00017708212934
                   +1 :              -0.00007150515120
                3s
                   +0 :              -0.00219529177704
                4s
                   +0 :               0.00063508250639
                3p
                   -1 :              -0.00031457780132
                   +0 :              -0.00177484326579
                   +1 :               0.00062901070749
                4p
                   -1 :               0.00011288140900
                   +0 :               0.00051408114540
                   +1 :              -0.00016507343136
                3d
                   -2 :              -0.00001504579146
                   -1 :               0.00002046129392
                   +0 :              -0.00038301123941
                   +1 :               0.00011043589746
                   +2 :               0.00004507985085
              5 vec=    -7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00010508469695
                2p
                   -1 :              -0.00001177367007
                   +0 :               0.00004418151141
                   +1 :              -0.00001205033196
                3s
                   +0 :              -0.00106834360688
                4s
                   +0 :               0.00010856839873
                3p
                   -1 :              -0.00007604459103
                   +0 :              -0.00035974079311
                   +1 :              -0.00009789861710
                4p
                   -1 :              -0.00004699231102
                   +0 :               0.00010002200530
                   +1 :               0.00004452801369
                3d
                   -2 :              -0.00010831180081
                   -1 :              -0.00000121837492
                   +0 :               0.00025192855825
                   +1 :               0.00010685808698
                   +2 :               0.00016999265978
              6 vec=    -7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00002624694677
                2p
                   -1 :              -0.00009938068583
                   +0 :               0.00001473448729
                   +1 :              -0.00005245292139
                3s
                   +0 :              -0.00083661736212
                4s
                   +0 :               0.00006566479644
                3p
                   -1 :              -0.00008949545850
                   +0 :              -0.00031432727228
                   +1 :               0.00065851705237
                4p
                   -1 :              -0.00020624191164
                   +0 :               0.00007126744021
                   +1 :              -0.00022408802171
                3d
                   -2 :               0.00028529316346
                   -1 :              -0.00011937791529
                   +0 :               0.00000350937130
                   +1 :               0.00006173180588
                   +2 :              -0.00005041147769
              7 vec=     0.000000     -8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00036305874403
                2p
                   -1 :               0.00002657970506
                   +0 :              -0.00004179471831
                   +1 :              -0.00004928250591
                3s
                   +0 :               0.00257134599254
                4s
                   +0 :              -0.00035999278821
                3p
                   -1 :              -0.00005283070501
                   +0 :               0.00043346048565
                   +1 :              -0.00009347508477
                4p
                   -1 :              -0.00005763899428
                   +0 :              -0.00015818656886
                   +1 :              -0.00009314815979
                3d
                   -2 :               0.00011385997390
                   -1 :              -0.00014864002156
                   +0 :              -0.00046733268216
                   +1 :               0.00006949722075
                   +2 :               0.00033819103952
              8 vec=     0.000000     -8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00033865317368
                2p
                   -1 :              -0.00019417242405
                   +0 :              -0.00000298721706
                   +1 :               0.00003337538783
                3s
                   +0 :              -0.00081335912049
                4s
                   +0 :               0.00007497697725
                3p
                   -1 :               0.00060139234034
                   +0 :               0.00025220581295
                   +1 :              -0.00020201695769
                4p
                   -1 :              -0.00001939787144
                   +0 :              -0.00006312038609
                   +1 :               0.00004859792836
                3d
                   -2 :              -0.00004104787039
                   -1 :              -0.00006367114964
                   +0 :               0.00009900762170
                   +1 :              -0.00006798018307
                   +2 :               0.00015992961240
              9 vec=     0.000000      8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00041783657168
                2p
                   -1 :              -0.00021418749065
                   +0 :               0.00019299893818
                   +1 :              -0.00007588568387
                3s
                   +0 :               0.00104323736405
                4s
                   +0 :              -0.00032669788214
                3p
                   -1 :               0.00105221453957
                   +0 :              -0.00120315092791
                   +1 :               0.00033981648485
                4p
                   -1 :              -0.00017648955964
                   +0 :               0.00026042536084
                   +1 :              -0.00007913702869
                3d
                   -2 :               0.00005658315728
                   -1 :              -0.00025866174966
                   +0 :              -0.00000331939085
                   +1 :              -0.00003075474054
                   +2 :              -0.00009571608154
             10 vec=     0.000000      8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00060088357045
                2p
                   -1 :              -0.00010876997213
                   +0 :              -0.00032010536158
                   +1 :              -0.00017120727666
                3s
                   +0 :               0.00364666851603
                4s
                   +0 :              -0.00115629731226
                3p
                   -1 :               0.00081416016205
                   +0 :               0.00329190277047
                   +1 :               0.00110455653762
                4p
                   -1 :              -0.00014415697329
                   +0 :              -0.00092357774957
                   +1 :              -0.00038221691700
                3d
                   -2 :              -0.00016725423824
                   -1 :               0.00026300091539
                   +0 :               0.00080743411345
                   +1 :               0.00003818622711
                   +2 :              -0.00015467196310
             11 vec=     7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00028811288335
                2p
                   -1 :              -0.00009959972168
                   +0 :              -0.00013505182256
                   +1 :               0.00015149830710
                3s
                   +0 :              -0.00106991758317
                4s
                   +0 :               0.00034868930438
                3p
                   -1 :               0.00063885507675
                   +0 :               0.00101335140896
                   +1 :              -0.00086475959615
                4p
                   -1 :              -0.00011738931033
                   +0 :              -0.00020786264211
                   +1 :               0.00021381380080
                3d
                   -2 :               0.00003219182488
                   -1 :              -0.00005814191058
                   +0 :              -0.00000289306128
                   +1 :               0.00023665109636
                   +2 :              -0.00012888097936
             12 vec=     7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00022165801226
                2p
                   -1 :              -0.00011297828938
                   +0 :               0.00014302323224
                   +1 :               0.00002090795498
                3s
                   +0 :              -0.00145137673899
                4s
                   +0 :               0.00052121480587
                3p
                   -1 :               0.00066162594992
                   +0 :              -0.00151705950468
                   +1 :              -0.00011073212794
                4p
                   -1 :              -0.00020368955698
                   +0 :               0.00040949660417
                   +1 :              -0.00005104340537
                3d
                   -2 :               0.00008184013049
                   -1 :               0.00007916105472
                   +0 :              -0.00042442287404
                   +1 :              -0.00013573441133
                   +2 :              -0.00018661243770
             13 vec=     7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00025797404708
                2p
                   -1 :               0.00003964702598
                   +0 :              -0.00000238679310
                   +1 :               0.00000254857824
                3s
                   +0 :              -0.00150300238565
                4s
                   +0 :               0.00025142438949
                3p
                   -1 :              -0.00006826853939
                   +0 :              -0.00007371969254
                   +1 :              -0.00007558303592
                4p
                   -1 :               0.00006691541108
                   +0 :               0.00005816456356
                   +1 :              -0.00003353037122
                3d
                   -2 :               0.00014843815627
                   -1 :              -0.00004257373898
                   +0 :               0.00021540412391
                   +1 :              -0.00003949323718
                   +2 :               0.00006168544875
             14 vec=     7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00036490012045
                2p
                   -1 :              -0.00022110605110
                   +0 :              -0.00001174727024
                   +1 :              -0.00009163082014
                3s
                   +0 :               0.00164997648261
                4s
                   +0 :              -0.00014064177368
                3p
                   -1 :               0.00100119275445
                   +0 :               0.00006212145934
                   +1 :               0.00082657643230
                4p
                   -1 :              -0.00034897285156
                   +0 :              -0.00000814705412
                   +1 :               0.00007406663869
                3d
                   -2 :               0.00030428337402
                   -1 :               0.00002080934514
                   +0 :              -0.00010251699299
                   +1 :               0.00004511928563
                   +2 :               0.00033737869297
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Cr(  3)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00660282309023
                   +0 :              -0.00000000000000
                   +1 :               0.00076002707951
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :              -0.00000000000000
                3d
                   -2 :               0.00292099108431
                   -1 :               1.02009067368821
                   +0 :              -0.00000000000000
                   +1 :               0.00020194892043
                   +2 :              -0.02156139499185
                4d
                   -2 :               0.00324360473929
                   -1 :               0.03200028750098
                   +0 :              -0.00000000000000
                   +1 :               0.00034578619658
                   +2 :              -0.00895100404917
                4p
                   -1 :               0.01553364535236
                   +0 :               0.00000000000000
                   +1 :              -0.00124347845748
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00136299092775
                3p
                   -1 :              -0.00022997350855
                   +0 :              -0.00010937471995
                   +1 :              -0.00008255061799
                4s
                   +0 :              -0.00261269784282
                5s
                   +0 :               0.00000204191562
                3d
                   -2 :              -0.00139268044917
                   -1 :               0.00106583248193
                   +0 :              -0.00028504513656
                   +1 :              -0.00087064466926
                   +2 :               0.00026050500962
                4d
                   -2 :               0.00002101582905
                   -1 :               0.00020439258847
                   +0 :              -0.00018876374642
                   +1 :               0.00080822505618
                   +2 :               0.00020785451371
                4p
                   -1 :               0.00069223126547
                   +0 :              -0.00084860481662
                   +1 :               0.00074169703089
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00050864120775
                3p
                   -1 :              -0.00020806393302
                   +0 :              -0.00002222808434
                   +1 :              -0.00027748585042
                4s
                   +0 :               0.00404217747731
                5s
                   +0 :              -0.00061588126053
                3d
                   -2 :              -0.00067134554994
                   -1 :               0.00051763773246
                   +0 :              -0.00091360136566
                   +1 :               0.00027518306108
                   +2 :               0.00278334478065
                4d
                   -2 :              -0.00148353645846
                   -1 :               0.00112985796006
                   +0 :              -0.00042701103733
                   +1 :              -0.00064451897432
                   +2 :               0.00010291708421
                4p
                   -1 :               0.00058256228944
                   +0 :               0.00172423194853
                   +1 :              -0.00256240385920
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00135469744640
                3p
                   -1 :               0.00007086702422
                   +0 :              -0.00030564306346
                   +1 :              -0.00098571467184
                4s
                   +0 :              -0.00830125837502
                5s
                   +0 :               0.00102658556501
                3d
                   -2 :               0.00113648470075
                   -1 :               0.00050167089404
                   +0 :               0.00147429659954
                   +1 :              -0.00081298479733
                   +2 :               0.00225811724645
                4d
                   -2 :              -0.00163502734954
                   -1 :               0.00130125556906
                   +0 :               0.00084140043321
                   +1 :               0.00075513305817
                   +2 :               0.00175231983848
                4p
                   -1 :               0.00392419121446
                   +0 :              -0.00218822646747
                   +1 :               0.00038156128354
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00158418575947
                3p
                   -1 :              -0.00042681447491
                   +0 :               0.00040720068985
                   +1 :               0.00026340221858
                4s
                   +0 :               0.00208474107034
                5s
                   +0 :              -0.00007880967486
                3d
                   -2 :               0.00033703706003
                   -1 :              -0.00054329698532
                   +0 :               0.00063612428768
                   +1 :              -0.00011056561973
                   +2 :              -0.00062847635620
                4d
                   -2 :               0.00023759003361
                   -1 :               0.00132471421364
                   +0 :               0.00066636119037
                   +1 :               0.00002441702030
                   +2 :              -0.00040860481049
                4p
                   -1 :               0.00090649192928
                   +0 :               0.00079987298803
                   +1 :              -0.00015102921670
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00022119483171
                3p
                   -1 :              -0.00002879004675
                   +0 :              -0.00029782596989
                   +1 :               0.00026089507767
                4s
                   +0 :               0.00052795677247
                5s
                   +0 :               0.00007676775923
                3d
                   -2 :               0.00024205875172
                   -1 :               0.00091951551408
                   +0 :              -0.00035107915112
                   +1 :               0.00090294185212
                   +2 :               0.00131399363105
                4d
                   -2 :               0.00066317236649
                   -1 :               0.00008575573029
                   +0 :              -0.00047759744395
                   +1 :              -0.00055390594956
                   +2 :               0.00008718361456
                4p
                   -1 :               0.00002623798834
                   +0 :               0.00004873182859
                   +1 :               0.00010977872920
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00084605623865
                3p
                   -1 :               0.00054474569665
                   +0 :               0.00032787114779
                   +1 :              -0.00039003896625
                4s
                   +0 :               0.00425908089771
                5s
                   +0 :              -0.00041070430448
                3d
                   -2 :              -0.00022229081198
                   -1 :               0.00145203532222
                   +0 :              -0.00056069523388
                   +1 :              -0.00028272855581
                   +2 :               0.00095510409072
                4d
                   -2 :              -0.00013085721773
                   -1 :               0.00000342254796
                   +0 :              -0.00041438939588
                   +1 :               0.00020374172547
                   +2 :               0.00105881342147
                4p
                   -1 :              -0.00029617184952
                   +0 :               0.00046399451894
                   +1 :               0.00180351425126
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00014185452877
                3p
                   -1 :              -0.00014675982309
                   +0 :               0.00008673029740
                   +1 :              -0.00014484180834
                4s
                   +0 :               0.00080834429703
                5s
                   +0 :              -0.00003275354826
                3d
                   -2 :               0.00032568630368
                   -1 :              -0.00081422074396
                   +0 :               0.00040207718646
                   +1 :              -0.00013283095939
                   +2 :              -0.00016171015556
                4d
                   -2 :              -0.00003484702897
                   -1 :              -0.00008029427406
                   +0 :               0.00009278799769
                   +1 :              -0.00004834452397
                   +2 :               0.00000917964324
                4p
                   -1 :              -0.00002797258713
                   +0 :              -0.00004178031311
                   +1 :              -0.00008027973484
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00015860556246
                3p
                   -1 :              -0.00013403278059
                   +0 :              -0.00009117973598
                   +1 :               0.00020482981820
                4s
                   +0 :              -0.00136760856530
                5s
                   +0 :               0.00003826197430
                3d
                   -2 :               0.00019246831845
                   -1 :               0.00016609269153
                   +0 :               0.00004442321111
                   +1 :               0.00071767335548
                   +2 :              -0.00091043528600
                4d
                   -2 :              -0.00013374526159
                   -1 :               0.00018871351398
                   +0 :              -0.00000551255565
                   +1 :               0.00025669090295
                   +2 :              -0.00010258123133
                4p
                   -1 :               0.00007762986548
                   +0 :              -0.00068165685502
                   +1 :               0.00054229033358
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00022906802548
                3p
                   -1 :              -0.00004034603477
                   +0 :               0.00009133180049
                   +1 :               0.00021383306011
                4s
                   +0 :               0.00032885467262
                5s
                   +0 :               0.00001683071727
                3d
                   -2 :               0.00050351603144
                   -1 :               0.00035985051453
                   +0 :              -0.00027453015585
                   +1 :              -0.00053616753315
                   +2 :              -0.00023449893653
                4d
                   -2 :               0.00011320611997
                   -1 :               0.00026374908525
                   +0 :              -0.00008791573552
                   +1 :              -0.00007030733098
                   +2 :              -0.00013165684042
                4p
                   -1 :               0.00030831355145
                   +0 :               0.00065383374801
                   +1 :               0.00011779860119
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00007608852558
                3p
                   -1 :              -0.00007169820846
                   +0 :              -0.00018312409592
                   +1 :              -0.00026239774377
                4s
                   +0 :              -0.00076356131578
                5s
                   +0 :               0.00003616764206
                3d
                   -2 :               0.00017259475566
                   -1 :               0.00040929980256
                   +0 :              -0.00002368789398
                   +1 :              -0.00073431357104
                   +2 :              -0.00066079049747
                4d
                   -2 :               0.00007433348275
                   -1 :               0.00014454533055
                   +0 :              -0.00003726887564
                   +1 :              -0.00009935716001
                   +2 :              -0.00007552316912
                4p
                   -1 :               0.00012304290668
                   +0 :              -0.00046983068930
                   +1 :              -0.00028080532148
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00006576600319
                3p
                   -1 :              -0.00000742258932
                   +0 :               0.00009639379853
                   +1 :              -0.00013861451094
                4s
                   +0 :              -0.00004478298125
                5s
                   +0 :              -0.00000341409380
                3d
                   -2 :              -0.00018307572495
                   -1 :               0.00031843875093
                   +0 :              -0.00037838929248
                   +1 :               0.00062602761013
                   +2 :              -0.00027866915683
                4d
                   -2 :              -0.00005361156038
                   -1 :               0.00007630376696
                   +0 :              -0.00005551912205
                   +1 :               0.00012086596739
                   +2 :              -0.00012772485969
                4p
                   -1 :               0.00022119541191
                   +0 :               0.00051161100241
                   +1 :              -0.00004975927415
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00007046246302
                3p
                   -1 :              -0.00007939237147
                   +0 :              -0.00000015206451
                   +1 :               0.00012819633727
                4s
                   +0 :               0.00103875389268
                5s
                   +0 :              -0.00005509269157
                3d
                   -2 :              -0.00023738587504
                   -1 :              -0.00082288645882
                   +0 :               0.00023010694474
                   +1 :              -0.00007704628574
                   +2 :              -0.00030309189003
                4d
                   -2 :               0.00001491064529
                   -1 :              -0.00005695747796
                   +0 :               0.00009342829117
                   +1 :               0.00002820907508
                   +2 :               0.00009674713406
                4p
                   -1 :              -0.00017464891548
                   +0 :               0.00002782310701
                   +1 :               0.00013026653509
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00010079797302
                3p
                   -1 :               0.00001355282611
                   +0 :              -0.00005485712348
                   +1 :               0.00010364744678
                4s
                   +0 :               0.00008896213018
                5s
                   +0 :              -0.00000710044954
                3d
                   -2 :              -0.00023233753770
                   -1 :               0.00019248883587
                   +0 :              -0.00002479355421
                   +1 :               0.00015445469692
                   +2 :               0.00004130539682
                4d
                   -2 :               0.00001424702139
                   -1 :               0.00003672309264
                   +0 :              -0.00000873481414
                   +1 :              -0.00006333369664
                   +2 :               0.00003755276733
                4p
                   -1 :               0.00006195790451
                   +0 :              -0.00003427329892
                   +1 :              -0.00011536951862
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00005792877871
                3p
                   -1 :               0.00003937156028
                   +0 :               0.00004370546900
                   +1 :               0.00000129642252
                4s
                   +0 :               0.00037128146439
                5s
                   +0 :              -0.00000142452335
                3d
                   -2 :               0.00008632090851
                   -1 :               0.00007327967296
                   +0 :               0.00004090352552
                   +1 :              -0.00007160814205
                   +2 :              -0.00000497010569
                4d
                   -2 :              -0.00000091852193
                   -1 :              -0.00000315819965
                   +0 :               0.00000244386988
                   +1 :               0.00003053395984
                   +2 :              -0.00000786156669
                4p
                   -1 :               0.00002390204491
                   +0 :               0.00005587425714
                   +1 :              -0.00004206925428
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00010195499308
                3p
                   -1 :               0.00003439971956
                   +0 :              -0.00012887464389
                   +1 :              -0.00004238989940
                4s
                   +0 :              -0.00075638665322
                5s
                   +0 :               0.00001845395277
                3d
                   -2 :               0.00018168042149
                   -1 :               0.00026528360176
                   +0 :              -0.00005108885109
                   +1 :              -0.00012937305849
                   +2 :              -0.00019193861345
                4d
                   -2 :              -0.00006852560900
                   -1 :              -0.00007975594461
                   +0 :              -0.00002156538199
                   +1 :               0.00001471864509
                   +2 :               0.00001859529175
                4p
                   -1 :               0.00010623734009
                   +0 :              -0.00002832127024
                   +1 :               0.00004652044263
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00003846522455
                3p
                   -1 :               0.00003728843973
                   +0 :               0.00004903857315
                   +1 :               0.00003298353406
                4s
                   +0 :              -0.00010807814926
                5s
                   +0 :               0.00000521965346
                3d
                   -2 :              -0.00001566249392
                   -1 :               0.00022159577172
                   +0 :               0.00000353017820
                   +1 :              -0.00000084633095
                   +2 :              -0.00017239729281
                4d
                   -2 :              -0.00002387329999
                   -1 :              -0.00002723091974
                   +0 :              -0.00002329258556
                   +1 :              -0.00004273527412
                   +2 :              -0.00001738188147
                4p
                   -1 :               0.00001107929979
                   +0 :               0.00009518883163
                   +1 :              -0.00006608383491
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00006233274847
                3p
                   -1 :              -0.00003577611063
                   +0 :               0.00000581855033
                   +1 :               0.00004775984605
                4s
                   +0 :               0.00001911601908
                5s
                   +0 :               0.00000188079607
                3d
                   -2 :               0.00006107194227
                   -1 :               0.00007254766842
                   +0 :               0.00002126337601
                   +1 :               0.00005159683711
                   +2 :               0.00012210014429
                4d
                   -2 :               0.00004276166210
                   -1 :               0.00002258484364
                   +0 :               0.00003202739970
                   +1 :               0.00000235131402
                   +2 :              -0.00002292772379
                4p
                   -1 :               0.00007920125628
                   +0 :              -0.00006091553271
                   +1 :              -0.00004666451257
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00004402621437
                3p
                   -1 :               0.00007471910450
                   +0 :               0.00008516917488
                   +1 :              -0.00002485247881
                4s
                   +0 :               0.00038510518883
                5s
                   +0 :              -0.00001702942942
                3d
                   -2 :              -0.00002791881243
                   -1 :               0.00021930752245
                   +0 :               0.00001018532557
                   +1 :               0.00006578967971
                   +2 :              -0.00018103812030
                4d
                   -2 :              -0.00001180975395
                   -1 :              -0.00002776060779
                   +0 :               0.00001912151211
                   +1 :              -0.00004370929054
                   +2 :               0.00006391631741
                4p
                   -1 :              -0.00001165123554
                   +0 :              -0.00002755298689
                   +1 :               0.00007353005144
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al(  4)  npairs=  14
              1 vec=     0.000000      0.000000     -7.252326   |vec|=    7.252326
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00122303608285
                   +0 :              -0.00000000000000
                   +1 :              -0.00048774554934
                3s
                   +0 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00830467259031
                   +0 :               0.00000000000000
                   +1 :               0.00403176768411
                4p
                   -1 :               0.00200678196772
                   +0 :              -0.00000000000000
                   +1 :              -0.00140625200446
                3d
                   -2 :              -0.00102223295530
                   -1 :               0.00214895086755
                   +0 :               0.00000000000000
                   +1 :               0.00005532958734
                   +2 :               0.00056511298788
              2 vec=    -7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00027198839756
                2p
                   -1 :               0.00012352417254
                   +0 :               0.00003545569941
                   +1 :               0.00007162015779
                3s
                   +0 :               0.00145373592199
                4s
                   +0 :              -0.00010332358036
                3p
                   -1 :               0.00022206844526
                   +0 :              -0.00023473974963
                   +1 :              -0.00124638607094
                4p
                   -1 :              -0.00000135961230
                   +0 :               0.00012066519432
                   +1 :               0.00012895956164
                3d
                   -2 :               0.00028909242799
                   -1 :               0.00001871021493
                   +0 :              -0.00018901528426
                   +1 :               0.00010869678075
                   +2 :              -0.00006882823353
              3 vec=    -7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00038706709736
                2p
                   -1 :               0.00012979418715
                   +0 :               0.00002705918378
                   +1 :               0.00010871040537
                3s
                   +0 :              -0.00563613355661
                4s
                   +0 :               0.00026396065499
                3p
                   -1 :              -0.00194910003059
                   +0 :              -0.00059358551554
                   +1 :               0.00172977311056
                4p
                   -1 :               0.00004246543090
                   +0 :              -0.00026310901559
                   +1 :               0.00020881015311
                3d
                   -2 :               0.00090974309027
                   -1 :              -0.00029318908930
                   +0 :               0.00085501915377
                   +1 :               0.00074089696088
                   +2 :              -0.00016468467424
              4 vec=     0.000000     -8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00049983549090
                2p
                   -1 :              -0.00009985198561
                   +0 :              -0.00021321819212
                   +1 :               0.00037344200625
                3s
                   +0 :               0.00904270893693
                4s
                   +0 :              -0.00021961140122
                3p
                   -1 :              -0.00327390821777
                   +0 :               0.00210560992618
                   +1 :              -0.00243182808594
                4p
                   -1 :              -0.00043683776440
                   +0 :               0.00013612040565
                   +1 :               0.00039387819683
                3d
                   -2 :               0.00095082018189
                   -1 :              -0.00158975563260
                   +0 :              -0.00148157174222
                   +1 :               0.00045192794639
                   +2 :              -0.00124100216854
              5 vec=     0.000000      8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00023168073197
                2p
                   -1 :              -0.00009200898612
                   +0 :               0.00008946717401
                   +1 :              -0.00006237856650
                3s
                   +0 :              -0.00147366302514
                4s
                   +0 :              -0.00005757596072
                3p
                   -1 :               0.00053326327360
                   +0 :              -0.00027690238117
                   +1 :              -0.00021298771961
                4p
                   -1 :              -0.00032167633923
                   +0 :               0.00013589547416
                   +1 :               0.00008886358506
                3d
                   -2 :               0.00008682378335
                   -1 :              -0.00000646935030
                   +0 :               0.00013688268660
                   +1 :              -0.00003299859772
                   +2 :              -0.00014249430866
              6 vec=     7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00004030766559
                2p
                   -1 :              -0.00010028870609
                   +0 :              -0.00012492287342
                   +1 :               0.00019127798640
                3s
                   +0 :               0.00001992710315
                4s
                   +0 :               0.00016089954108
                3p
                   -1 :               0.00127261508391
                   +0 :               0.00051164213080
                   +1 :              -0.00099918952215
                4p
                   -1 :              -0.00019624211007
                   +0 :              -0.00025656066847
                   +1 :               0.00038631399613
                3d
                   -2 :               0.00025175479813
                   -1 :              -0.00011659136504
                   +0 :               0.00005213259767
                   +1 :               0.00005965523466
                   +2 :              -0.00028083105575
              7 vec=     7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00011276839355
                2p
                   -1 :              -0.00021429319077
                   +0 :               0.00018615900835
                   +1 :               0.00004219678632
                3s
                   +0 :              -0.00340657538032
                4s
                   +0 :              -0.00004434925377
                3p
                   -1 :               0.00099254823241
                   +0 :              -0.00151202441064
                   +1 :              -0.00149834503293
                4p
                   -1 :              -0.00035745979404
                   +0 :               0.00012698860994
                   +1 :              -0.00011374456828
                3d
                   -2 :              -0.00000183665652
                   -1 :              -0.00069121785350
                   +0 :               0.00062655258845
                   +1 :              -0.00052644711055
                   +2 :              -0.00073841722625
              8 vec=   -15.560325     -0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00010938438173
                2p
                   -1 :              -0.00002082932741
                   +0 :              -0.00000624548128
                   +1 :              -0.00001073949933
                3s
                   +0 :              -0.00104814563960
                4s
                   +0 :               0.00016674907922
                3p
                   -1 :               0.00011852806694
                   +0 :               0.00011631931347
                   +1 :               0.00023544249441
                4p
                   -1 :              -0.00001129568523
                   +0 :              -0.00006791127223
                   +1 :              -0.00003544021971
                3d
                   -2 :               0.00002921871002
                   -1 :               0.00010558779145
                   +0 :              -0.00005137375453
                   +1 :              -0.00000478611936
                   +2 :               0.00003432112240
              9 vec=    -7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00025465860081
                2p
                   -1 :               0.00002920031104
                   +0 :               0.00000431741979
                   +1 :              -0.00004858308735
                3s
                   +0 :               0.00207171871625
                4s
                   +0 :              -0.00029793681436
                3p
                   -1 :              -0.00042455212621
                   +0 :              -0.00019529079093
                   +1 :               0.00027914198806
                4p
                   -1 :              -0.00000066814222
                   +0 :               0.00007853516344
                   +1 :              -0.00010147625880
                3d
                   -2 :              -0.00021123916260
                   -1 :               0.00006975104338
                   +0 :               0.00005376249581
                   +1 :              -0.00014664501914
                   +2 :              -0.00002796079008
             10 vec=    -7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00017172669445
                2p
                   -1 :               0.00004307065452
                   +0 :              -0.00000070720497
                   +1 :              -0.00002634741434
                3s
                   +0 :              -0.00099301006624
                4s
                   +0 :               0.00016222878023
                3p
                   -1 :              -0.00020390502473
                   +0 :               0.00002126361378
                   +1 :               0.00015266595832
                4p
                   -1 :               0.00001890074452
                   +0 :              -0.00002437686785
                   +1 :              -0.00000900695747
                3d
                   -2 :              -0.00003418671674
                   -1 :              -0.00003597067521
                   +0 :              -0.00002692844465
                   +1 :              -0.00004474524201
                   +2 :              -0.00007738907588
             11 vec=     7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00023984057946
                2p
                   -1 :               0.00004320439176
                   +0 :               0.00002958504949
                   +1 :              -0.00001032410981
                3s
                   +0 :               0.00164927877714
                4s
                   +0 :              -0.00026839977479
                3p
                   -1 :              -0.00017533297220
                   +0 :              -0.00014179926001
                   +1 :               0.00028315327541
                4p
                   -1 :               0.00005153306284
                   +0 :               0.00010150483089
                   +1 :               0.00000026750247
                3d
                   -2 :               0.00003858625550
                   -1 :               0.00006204573323
                   +0 :               0.00010805254287
                   +1 :               0.00011907748966
                   +2 :               0.00000279367105
             12 vec=     7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00013045619773
                2p
                   -1 :               0.00001082779430
                   +0 :              -0.00002333956821
                   +1 :               0.00004492302293
                3s
                   +0 :              -0.00060113313753
                4s
                   +0 :               0.00010165069557
                3p
                   -1 :              -0.00006972120100
                   +0 :               0.00002547994654
                   +1 :               0.00000480675984
                4p
                   -1 :              -0.00001080510572
                   +0 :              -0.00003359355866
                   +1 :               0.00003682493330
                3d
                   -2 :               0.00000659890897
                   -1 :              -0.00002345226967
                   +0 :              -0.00005667878834
                   +1 :               0.00001943715660
                   +2 :               0.00001044486436
             13 vec=    15.560325      0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00008293190637
                2p
                   -1 :               0.00005539214049
                   +0 :              -0.00000361021482
                   +1 :              -0.00004947732066
                3s
                   +0 :              -0.00107870865001
                4s
                   +0 :               0.00013570803413
                3p
                   -1 :              -0.00042376003020
                   +0 :               0.00017402717715
                   +1 :               0.00002481797803
                4p
                   -1 :               0.00008919706517
                   +0 :              -0.00005415829559
                   +1 :              -0.00007218876117
                3d
                   -2 :              -0.00007990678850
                   -1 :               0.00010513797972
                   +0 :              -0.00002683405116
                   +1 :              -0.00000413743654
                   +2 :               0.00010065698294
             14 vec=     0.000000      0.000000     17.295216   |vec|=   17.295216
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00002920703114
                   +0 :              -0.00000000000000
                   +1 :              -0.00007387761576
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.00024013305134
                   +0 :               0.00000000000000
                   +1 :               0.00041706562267
                4p
                   -1 :              -0.00001897823363
                   +0 :              -0.00000000000000
                   +1 :              -0.00010378128898
                3d
                   -2 :              -0.00002365708794
                   -1 :               0.00007913224284
                   +0 :               0.00000000000000
                   +1 :               0.00003297611855
                   +2 :              -0.00001553339573
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al(  5)  npairs=  18
              1 vec=    -2.593388     -4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :              -0.00048605361649
                2p
                   -1 :              -0.00006044963184
                   +0 :               0.00019795312627
                   +1 :               0.00033636613239
                3s
                   +0 :               0.00282838097480
                4s
                   +0 :              -0.00082925604076
                3p
                   -1 :               0.00111605846992
                   +0 :              -0.00160259173660
                   +1 :              -0.00154301809511
                4p
                   -1 :              -0.00031897833205
                   +0 :               0.00048458220980
                   +1 :               0.00034701635142
                3d
                   -2 :              -0.00001549874762
                   -1 :               0.00000730635465
                   +0 :               0.00023954386039
                   +1 :               0.00027750359801
                   +2 :               0.00002654355414
              2 vec=    -2.593388      4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :               0.00040791366969
                2p
                   -1 :               0.00032322618639
                   +0 :              -0.00010849273544
                   +1 :               0.00015774468169
                3s
                   +0 :              -0.00175072088322
                4s
                   +0 :               0.00037002060484
                3p
                   -1 :              -0.00089915157470
                   +0 :               0.00036549196734
                   +1 :              -0.00116147946333
                4p
                   -1 :               0.00006150937100
                   +0 :              -0.00003897978114
                   +1 :               0.00041421567985
                3d
                   -2 :              -0.00000381497174
                   -1 :              -0.00003071967157
                   +0 :               0.00001901662531
                   +1 :               0.00006254804322
                   +2 :               0.00008456641716
              3 vec=     5.186775      0.000000    -11.343665   |vec|=   12.473226
                2s
                   +0 :               0.00007813994680
                2p
                   -1 :              -0.00002330243669
                   +0 :              -0.00008946039083
                   +1 :              -0.00008521759836
                3s
                   +0 :              -0.00107766009158
                4s
                   +0 :               0.00045923543592
                3p
                   -1 :               0.00043887559526
                   +0 :               0.00123709976926
                   +1 :               0.00039297431338
                4p
                   -1 :              -0.00007053815498
                   +0 :              -0.00044560242866
                   +1 :               0.00005110399897
                3d
                   -2 :              -0.00005990613305
                   -1 :              -0.00019786362960
                   +0 :              -0.00025856048570
                   +1 :               0.00020295732533
                   +2 :               0.00006567343238
              4 vec=    -2.593388     -4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :               0.00016484299323
                2p
                   -1 :               0.00011898439415
                   +0 :               0.00004122345461
                   +1 :              -0.00001014848211
                3s
                   +0 :              -0.00051241768640
                4s
                   +0 :               0.00027339778715
                3p
                   -1 :              -0.00139957033014
                   +0 :              -0.00001264250394
                   +1 :              -0.00018959443034
                4p
                   -1 :               0.00024140463519
                   +0 :               0.00012821545652
                   +1 :              -0.00001810309937
                3d
                   -2 :              -0.00010667102821
                   -1 :              -0.00024954174572
                   +0 :               0.00001889092341
                   +1 :              -0.00006633423633
                   +2 :               0.00010650279330
              5 vec=    -2.593388      4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :              -0.00006088146702
                2p
                   -1 :               0.00013829447125
                   +0 :               0.00001370435152
                   +1 :              -0.00000559196862
                3s
                   +0 :               0.00103988343023
                4s
                   +0 :              -0.00040086196897
                3p
                   -1 :              -0.00161383455327
                   +0 :               0.00020668656350
                   +1 :               0.00125640401797
                4p
                   -1 :               0.00012164746077
                   +0 :              -0.00009275976044
                   +1 :              -0.00026997632988
                3d
                   -2 :              -0.00031207564212
                   -1 :              -0.00017392651551
                   +0 :               0.00016016287542
                   +1 :               0.00029870025256
                   +2 :              -0.00041989028023
              6 vec=     5.186775      0.000000     13.203878   |vec|=   14.186085
                2s
                   +0 :              -0.00010396152621
                2p
                   -1 :               0.00013258548914
                   +0 :              -0.00005492780613
                   +1 :              -0.00002459324268
                3s
                   +0 :              -0.00052746574383
                4s
                   +0 :               0.00012746418182
                3p
                   -1 :              -0.00025443105164
                   +0 :              -0.00019404405956
                   +1 :               0.00071896305417
                4p
                   -1 :              -0.00003660256817
                   +0 :              -0.00003545569608
                   +1 :              -0.00004032695930
                3d
                   -2 :               0.00024649643888
                   -1 :               0.00010439501002
                   +0 :              -0.00017905379883
                   +1 :               0.00005069829785
                   +2 :              -0.00033457935717
              7 vec=   -10.373550     -0.000000    -11.343665   |vec|=   15.371704
                2s
                   +0 :               0.00002798270153
                2p
                   -1 :               0.00005222839472
                   +0 :              -0.00000851551109
                   +1 :               0.00002954524716
                3s
                   +0 :              -0.00215617602736
                4s
                   +0 :               0.00011265155314
                3p
                   -1 :               0.00070435393399
                   +0 :               0.00047355470006
                   +1 :               0.00087584648284
                4p
                   -1 :               0.00004827247257
                   +0 :              -0.00012983522630
                   +1 :              -0.00002789608517
                3d
                   -2 :              -0.00021632805789
                   -1 :              -0.00005355041823
                   +0 :               0.00013883486531
                   +1 :              -0.00006322754158
                   +2 :              -0.00002656626794
              8 vec=     5.186775     -8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :              -0.00017217678227
                2p
                   -1 :              -0.00004673774021
                   +0 :               0.00000868567555
                   +1 :               0.00003790111463
                3s
                   +0 :               0.00447912943502
                4s
                   +0 :              -0.00030603380348
                3p
                   -1 :              -0.00056364436555
                   +0 :              -0.00078082895055
                   +1 :               0.00204115087611
                4p
                   -1 :               0.00000714924921
                   +0 :               0.00022752630120
                   +1 :              -0.00002582255646
                3d
                   -2 :              -0.00023615678412
                   -1 :              -0.00004027968264
                   +0 :              -0.00023316390704
                   +1 :              -0.00016005020094
                   +2 :               0.00035758957786
              9 vec=     5.186775      8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :               0.00014419408075
                2p
                   -1 :              -0.00000449106625
                   +0 :              -0.00000017016446
                   +1 :              -0.00005198400607
                3s
                   +0 :              -0.00232295340767
                4s
                   +0 :               0.00019338225034
                3p
                   -1 :              -0.00093882842349
                   +0 :               0.00030727425049
                   +1 :               0.00036037994012
                4p
                   -1 :               0.00002591513236
                   +0 :              -0.00009769107490
                   +1 :              -0.00006247307693
                3d
                   -2 :               0.00010644630047
                   -1 :               0.00003693583223
                   +0 :               0.00009432904172
                   +1 :              -0.00010014607711
                   +2 :               0.00018268383560
             10 vec=   -10.373550     -0.000000     13.203878   |vec|=   16.791454
                2s
                   +0 :               0.00046105091968
                2p
                   -1 :              -0.00000658098018
                   +0 :               0.00009201482072
                   +1 :              -0.00015688681882
                3s
                   +0 :              -0.00327799949026
                4s
                   +0 :               0.00062025158821
                3p
                   -1 :              -0.00020178816676
                   +0 :              -0.00122616730304
                   +1 :               0.00153791903082
                4p
                   -1 :              -0.00005448915905
                   +0 :               0.00015898427320
                   +1 :              -0.00025618130078
                3d
                   -2 :               0.00011100898165
                   -1 :              -0.00005358571429
                   +0 :              -0.00007446423619
                   +1 :               0.00034112519272
                   +2 :              -0.00020714544609
             11 vec=     5.186775     -8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :               0.00022910762191
                2p
                   -1 :               0.00004442210097
                   +0 :              -0.00000506125660
                   +1 :               0.00011879428498
                3s
                   +0 :              -0.00255584966581
                4s
                   +0 :               0.00034466177108
                3p
                   -1 :               0.00080785468461
                   +0 :              -0.00079504024017
                   +1 :              -0.00064940296602
                4p
                   -1 :              -0.00004765957593
                   +0 :               0.00002444914191
                   +1 :               0.00016918700654
                3d
                   -2 :               0.00014426852959
                   -1 :               0.00023698733726
                   +0 :              -0.00009970813813
                   +1 :              -0.00007105711365
                   +2 :               0.00019403852401
             12 vec=     5.186775      8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :              -0.00069015854158
                2p
                   -1 :              -0.00021982627884
                   +0 :              -0.00008695356412
                   +1 :               0.00002512369703
                3s
                   +0 :               0.00583384915607
                4s
                   +0 :              -0.00096491335930
                3p
                   -1 :               0.00219730967444
                   +0 :               0.00202120754322
                   +1 :               0.00131863439044
                4p
                   -1 :              -0.00041945412760
                   +0 :              -0.00018343341512
                   +1 :              -0.00003758255464
                3d
                   -2 :               0.00047507426532
                   -1 :               0.00044866115979
                   +0 :               0.00017417237432
                   +1 :               0.00038667768384
                   +2 :              -0.00003535707448
             13 vec=   -10.373550     -8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00000767986740
                2p
                   -1 :              -0.00001220741067
                   +0 :               0.00001165039711
                   +1 :              -0.00000690918041
                3s
                   +0 :               0.00058681111598
                4s
                   +0 :              -0.00006745394398
                3p
                   -1 :              -0.00008553214063
                   +0 :              -0.00024468394791
                   +1 :              -0.00015800730148
                4p
                   -1 :               0.00001143413645
                   +0 :               0.00007183199247
                   +1 :               0.00001926794504
                3d
                   -2 :               0.00004442877740
                   -1 :               0.00004223672073
                   +0 :               0.00002248539859
                   +1 :              -0.00000442813618
                   +2 :              -0.00001538996168
             14 vec=   -10.373550      8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00004437836351
                2p
                   -1 :              -0.00001190704846
                   +0 :              -0.00002203681091
                   +1 :               0.00001252406524
                3s
                   +0 :              -0.00068621764905
                4s
                   +0 :               0.00011436944494
                3p
                   -1 :              -0.00014788417842
                   +0 :               0.00034145363081
                   +1 :              -0.00002571038335
                4p
                   -1 :              -0.00001268321341
                   +0 :              -0.00011556832542
                   +1 :              -0.00001266988213
                3d
                   -2 :               0.00002697172496
                   -1 :              -0.00000695773012
                   +0 :              -0.00003277285843
                   +1 :              -0.00002566329165
                   +2 :               0.00001519425308
             15 vec=    -2.593388    -13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00010418336802
                2p
                   -1 :               0.00000195470146
                   +0 :               0.00003812891297
                   +1 :              -0.00003327096055
                3s
                   +0 :               0.00138007950786
                4s
                   +0 :              -0.00022701479408
                3p
                   -1 :              -0.00024660715602
                   +0 :              -0.00059090764945
                   +1 :              -0.00011301899847
                4p
                   -1 :               0.00003633602808
                   +0 :               0.00020654356366
                   +1 :              -0.00004115735757
                3d
                   -2 :              -0.00000103719360
                   -1 :               0.00004419383797
                   +0 :               0.00004717321309
                   +1 :              -0.00003851659075
                   +2 :              -0.00004857027514
             16 vec=    -2.593388     13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00001702786357
                2p
                   -1 :              -0.00003499330033
                   +0 :              -0.00004066850568
                   +1 :               0.00000497167486
                3s
                   +0 :              -0.00057021466859
                4s
                   +0 :               0.00007056558860
                3p
                   -1 :              -0.00003420039452
                   +0 :               0.00035554927146
                   +1 :               0.00007141563338
                4p
                   -1 :              -0.00001240251548
                   +0 :              -0.00011513708076
                   +1 :              -0.00001729189232
                3d
                   -2 :               0.00003338306143
                   -1 :               0.00004837792418
                   +0 :              -0.00004874070460
                   +1 :              -0.00001609297475
                   +2 :              -0.00002511607741
             17 vec=    12.966938     -4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00002470773097
                2p
                   -1 :              -0.00001331123301
                   +0 :               0.00002901810856
                   +1 :               0.00001876440652
                3s
                   +0 :              -0.00001659644740
                4s
                   +0 :              -0.00000311164462
                3p
                   -1 :               0.00013881982222
                   +0 :              -0.00011086532354
                   +1 :              -0.00008775043020
                4p
                   -1 :              -0.00003214593742
                   +0 :               0.00004330508829
                   +1 :               0.00002163117247
                3d
                   -2 :               0.00004732898272
                   -1 :               0.00003520527593
                   +0 :               0.00002625530601
                   +1 :              -0.00001557899366
                   +2 :              -0.00002981889018
             18 vec=    12.966938      4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00005980500451
                2p
                   -1 :               0.00003468348221
                   +0 :              -0.00001609210206
                   +1 :               0.00000163117992
                3s
                   +0 :              -0.00069386185882
                4s
                   +0 :               0.00011264534914
                3p
                   -1 :              -0.00012163418856
                   +0 :               0.00024945401864
                   +1 :              -0.00015486129745
                4p
                   -1 :               0.00003649728477
                   +0 :              -0.00009097523824
                   +1 :               0.00001553828855
                3d
                   -2 :              -0.00004225443561
                   -1 :               0.00002974933747
                   +0 :              -0.00001440035466
                   +1 :               0.00001220861620
                   +2 :               0.00000756842397
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al(  6)  npairs=  12
              1 vec=    -2.593388     -4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00090073523681
                2p
                   -1 :              -0.00041677510560
                   +0 :               0.00013587586927
                   +1 :              -0.00004764370828
                3s
                   +0 :               0.00687359204100
                4s
                   +0 :               0.00294657992767
                3p
                   -1 :               0.01669608360750
                   +0 :              -0.00455661791511
                   +1 :              -0.00347642628422
                4p
                   -1 :              -0.00001928708327
                   +0 :              -0.00116116658350
                   +1 :              -0.00067881947900
                3d
                   -2 :              -0.00775556046539
                   -1 :              -0.00646901608046
                   +0 :               0.00379177072016
                   +1 :               0.00442699847909
                   +2 :               0.00325882947464
              2 vec=    -2.593388      4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :              -0.00095552964737
                2p
                   -1 :               0.00037915351627
                   +0 :              -0.00040013850898
                   +1 :               0.00019918198356
                3s
                   +0 :               0.00566833223041
                4s
                   +0 :               0.00026198334058
                3p
                   -1 :               0.00363617681374
                   +0 :              -0.00198749274227
                   +1 :              -0.00923867539607
                4p
                   -1 :               0.00126187285739
                   +0 :              -0.00061491957286
                   +1 :              -0.00099194694892
                3d
                   -2 :              -0.00317939909501
                   -1 :              -0.00043332038732
                   +0 :               0.00124452074870
                   +1 :               0.00406989222355
                   +2 :              -0.00299846890237
              3 vec=     5.186775      0.000000     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00005479441055
                2p
                   -1 :               0.00019494652477
                   +0 :               0.00026426263970
                   +1 :              -0.00061352526850
                3s
                   +0 :              -0.01254192427141
                4s
                   +0 :              -0.00320856326824
                3p
                   -1 :               0.00517587609683
                   +0 :               0.00654411065738
                   +1 :               0.00495266021431
                4p
                   -1 :               0.00035011654348
                   +0 :               0.00177608615635
                   +1 :              -0.00194490026888
                3d
                   -2 :              -0.00004850042665
                   -1 :              -0.00376043132304
                   +0 :              -0.00503629146886
                   +1 :              -0.00097862044846
                   +2 :               0.00409325228470
              4 vec=   -10.373550     -0.000000     -4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00138556486788
                2p
                   -1 :               0.00002519788879
                   +0 :              -0.00035322816735
                   +1 :              -0.00026573813884
                3s
                   +0 :              -0.00792672145755
                4s
                   +0 :               0.00130004016679
                3p
                   -1 :               0.00072913033578
                   +0 :               0.00392862174500
                   +1 :               0.00161842146364
                4p
                   -1 :               0.00000719738870
                   +0 :              -0.00034121597443
                   +1 :              -0.00009651956477
                3d
                   -2 :              -0.00020943937474
                   -1 :              -0.00101658294642
                   +0 :              -0.00117679328186
                   +1 :              -0.00085048267194
                   +2 :               0.00039666485992
              5 vec=     5.186775     -8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00115332370864
                2p
                   -1 :              -0.00005452728585
                   +0 :               0.00030981486906
                   +1 :              -0.00022113044868
                3s
                   +0 :               0.00885047964657
                4s
                   +0 :              -0.00126620999178
                3p
                   -1 :               0.00009882367539
                   +0 :              -0.00440197766528
                   +1 :               0.00311059021693
                4p
                   -1 :              -0.00003760758953
                   +0 :               0.00005681644434
                   +1 :              -0.00028994905115
                3d
                   -2 :              -0.00005167318479
                   -1 :               0.00030830261859
                   +0 :               0.00180646641681
                   +1 :              -0.00152500093737
                   +2 :               0.00043812301084
              6 vec=     5.186775      8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00023224115925
                2p
                   -1 :              -0.00005329609141
                   +0 :               0.00004341329830
                   +1 :              -0.00031247832032
                3s
                   +0 :              -0.00092375818902
                4s
                   +0 :              -0.00003383017500
                3p
                   -1 :              -0.00087827904150
                   +0 :               0.00047335592027
                   +1 :               0.00181864426021
                4p
                   -1 :               0.00015230974863
                   +0 :               0.00028439953009
                   +1 :              -0.00023203655732
                3d
                   -2 :              -0.00009465246787
                   -1 :               0.00023000978926
                   +0 :              -0.00062967313495
                   +1 :              -0.00004035724825
                   +2 :               0.00028076440703
              7 vec=   -10.373550     -8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00003307834069
                2p
                   -1 :               0.00000352822400
                   +0 :              -0.00017684169546
                   +1 :               0.00001743153839
                3s
                   +0 :               0.00079636655270
                4s
                   +0 :               0.00006789897077
                3p
                   -1 :              -0.00032427134729
                   +0 :               0.00052537173468
                   +1 :              -0.00049003668940
                4p
                   -1 :               0.00000086360112
                   +0 :              -0.00033670971407
                   +1 :               0.00014229598385
                3d
                   -2 :               0.00018878963004
                   -1 :               0.00026220481213
                   +0 :               0.00009538340029
                   +1 :              -0.00008386703704
                   +2 :              -0.00006714190301
              8 vec=   -10.373550      8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00019164074767
                2p
                   -1 :              -0.00006452273419
                   +0 :               0.00010051813484
                   +1 :              -0.00005842011518
                3s
                   +0 :               0.00043116126277
                4s
                   +0 :               0.00001599465485
                3p
                   -1 :               0.00071899762372
                   +0 :              -0.00091963778635
                   +1 :               0.00060255446562
                4p
                   -1 :              -0.00008560049387
                   +0 :               0.00013008785405
                   +1 :              -0.00016461488659
                3d
                   -2 :               0.00011164188026
                   -1 :              -0.00009131723959
                   +0 :               0.00001162845271
                   +1 :              -0.00002192104354
                   +2 :              -0.00013899613852
              9 vec=    -2.593388    -13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00004563763609
                2p
                   -1 :               0.00008098151430
                   +0 :              -0.00013886040868
                   +1 :              -0.00022201774811
                3s
                   +0 :               0.00116022082239
                4s
                   +0 :              -0.00025033602385
                3p
                   -1 :              -0.00045161233353
                   +0 :               0.00095909520366
                   +1 :               0.00186285293512
                4p
                   -1 :               0.00014747506581
                   +0 :              -0.00024849687126
                   +1 :              -0.00029487146676
                3d
                   -2 :              -0.00009023628396
                   -1 :               0.00009515078727
                   +0 :               0.00002279167397
                   +1 :              -0.00024051331682
                   +2 :              -0.00019171405545
             10 vec=    -2.593388     13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00052815056033
                2p
                   -1 :              -0.00014145384770
                   +0 :               0.00021131321175
                   +1 :               0.00003150253996
                3s
                   +0 :               0.00183888121869
                4s
                   +0 :              -0.00066102350838
                3p
                   -1 :               0.00075745161714
                   +0 :              -0.00124296103734
                   +1 :              -0.00004887729183
                4p
                   -1 :              -0.00013092612469
                   +0 :               0.00040188716318
                   +1 :               0.00008149258743
                3d
                   -2 :              -0.00000271116510
                   -1 :              -0.00017468219263
                   +0 :              -0.00007934839613
                   +1 :              -0.00008528468381
                   +2 :              -0.00006297505776
             11 vec=    12.966938     -4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00049507221964
                2p
                   -1 :              -0.00005677696704
                   +0 :              -0.00003447151630
                   +1 :               0.00015002519636
                3s
                   +0 :              -0.00263524777139
                4s
                   +0 :               0.00059312453761
                3p
                   -1 :               0.00059864538034
                   +0 :               0.00071758930267
                   +1 :              -0.00120625655767
                4p
                   -1 :              -0.00011768854773
                   +0 :              -0.00006517744912
                   +1 :               0.00022602753615
                3d
                   -2 :               0.00008943063863
                   -1 :               0.00004253359163
                   +0 :              -0.00001603500416
                   +1 :               0.00029377938428
                   +2 :              -0.00023090303382
             12 vec=    12.966938      4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00023727838376
                2p
                   -1 :               0.00014990909617
                   +0 :               0.00003834227384
                   +1 :              -0.00001420855610
                3s
                   +0 :              -0.00159138208516
                4s
                   +0 :               0.00023434136900
                3p
                   -1 :              -0.00095775784584
                   +0 :              -0.00003945741730
                   +1 :               0.00021892573947
                4p
                   -1 :               0.00014374279341
                   +0 :               0.00011840901721
                   +1 :              -0.00002789382099
                3d
                   -2 :              -0.00003495225715
                   -1 :               0.00019122323557
                   +0 :              -0.00003442012668
                   +1 :               0.00003026886808
                   +2 :               0.00000947652169
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al(  7)  npairs=  15
              1 vec=    -2.593388     -4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00000050997825
                2p
                   -1 :              -0.00019812668481
                   +0 :               0.00060436894296
                   +1 :              -0.00005333116930
                3s
                   +0 :              -0.00647749274631
                4s
                   +0 :               0.00105034415051
                3p
                   -1 :               0.00344198550642
                   +0 :              -0.00566663772210
                   +1 :              -0.00151212693267
                4p
                   -1 :              -0.00095772216957
                   +0 :               0.00140262634938
                   +1 :               0.00008559327274
                3d
                   -2 :               0.00023866595312
                   -1 :               0.00084496933620
                   +0 :              -0.00061857015269
                   +1 :               0.00158278925390
                   +2 :               0.00003269806261
              2 vec=    -2.593388      4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00117316655647
                2p
                   -1 :              -0.00086118248060
                   +0 :              -0.00107882053019
                   +1 :               0.00009920901657
                3s
                   +0 :               0.00640135150279
                4s
                   +0 :              -0.00371036784804
                3p
                   -1 :              -0.00266710743648
                   +0 :               0.01059448584708
                   +1 :              -0.00548884084831
                4p
                   -1 :              -0.00099300338019
                   +0 :              -0.00348719673921
                   +1 :               0.00141839311512
                3d
                   -2 :               0.00058724732387
                   -1 :               0.00172938395821
                   +0 :               0.00263140245499
                   +1 :               0.00032982298903
                   +2 :               0.00109409221068
              3 vec=     5.186775      0.000000      8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00117367653471
                2p
                   -1 :              -0.00039755090664
                   +0 :               0.00047445158723
                   +1 :               0.00059716208691
                3s
                   +0 :               0.00007614124352
                4s
                   +0 :               0.00266002369753
                3p
                   -1 :              -0.00305649623956
                   +0 :              -0.00492784812498
                   +1 :               0.00179014579214
                4p
                   -1 :               0.00017887574678
                   +0 :               0.00208457038983
                   +1 :               0.00078254761860
                3d
                   -2 :              -0.00050623765716
                   -1 :               0.00020207603175
                   +0 :              -0.00201283230230
                   +1 :               0.00019038059132
                   +2 :               0.00086527545900
              4 vec=   -10.373550     -0.000000      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00037796280696
                2p
                   -1 :              -0.00013496276826
                   +0 :               0.00007176253575
                   +1 :              -0.00009521371738
                3s
                   +0 :              -0.00260272270526
                4s
                   +0 :               0.00039066242797
                3p
                   -1 :               0.00074175481440
                   +0 :              -0.00055328523766
                   +1 :               0.00134306531186
                4p
                   -1 :              -0.00008204116433
                   +0 :               0.00028471097160
                   +1 :              -0.00006922384755
                3d
                   -2 :              -0.00011109899952
                   -1 :               0.00011468159770
                   +0 :               0.00024130699567
                   +1 :               0.00016000355618
                   +2 :              -0.00022227770720
              5 vec=     5.186775     -8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00002969815430
                2p
                   -1 :               0.00015188538742
                   +0 :              -0.00005211217183
                   +1 :              -0.00003974096980
                3s
                   +0 :               0.00031250142476
                4s
                   +0 :              -0.00027713663939
                3p
                   -1 :              -0.00132227897312
                   +0 :              -0.00003849120408
                   +1 :               0.00057394820070
                4p
                   -1 :               0.00050364118377
                   +0 :               0.00004371778033
                   +1 :              -0.00019654772488
                3d
                   -2 :              -0.00037352118430
                   -1 :              -0.00012729470142
                   +0 :              -0.00018228015062
                   +1 :               0.00014042940039
                   +2 :              -0.00005773910959
              6 vec=     5.186775      8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00040766096126
                2p
                   -1 :              -0.00003957949904
                   +0 :              -0.00001965036393
                   +1 :               0.00018094044625
                3s
                   +0 :               0.00229022128050
                4s
                   +0 :              -0.00011352578858
                3p
                   -1 :               0.00037581287739
                   +0 :               0.00059177644175
                   +1 :              -0.00082899893798
                4p
                   -1 :               0.00032106572199
                   +0 :              -0.00032842875193
                   +1 :               0.00037433000578
                3d
                   -2 :              -0.00009981548648
                   -1 :               0.00001064516431
                   +0 :              -0.00005902684505
                   +1 :              -0.00005934114386
                   +2 :               0.00008725587013
              7 vec=   -10.373550     -8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00014320228795
                2p
                   -1 :               0.00002068562373
                   +0 :               0.00001255831544
                   +1 :              -0.00008248234513
                3s
                   +0 :              -0.00075123533022
                4s
                   +0 :               0.00012912354375
                3p
                   -1 :              -0.00024219810605
                   +0 :              -0.00013334831474
                   +1 :               0.00040494953170
                4p
                   -1 :               0.00008139799254
                   +0 :               0.00000958530615
                   +1 :              -0.00011039965523
                3d
                   -2 :              -0.00001815704578
                   -1 :              -0.00002466014168
                   +0 :              -0.00004605684643
                   +1 :               0.00003640536233
                   +2 :              -0.00004200639064
              8 vec=   -10.373550      8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00016581953227
                2p
                   -1 :              -0.00002990225522
                   +0 :               0.00002396553750
                   +1 :               0.00005182343039
                3s
                   +0 :               0.00087099618914
                4s
                   +0 :              -0.00014246075952
                3p
                   -1 :              -0.00002654741250
                   +0 :              -0.00026071686087
                   +1 :              -0.00060829695664
                4p
                   -1 :              -0.00002792447191
                   +0 :               0.00005167893180
                   +1 :               0.00006569097316
                3d
                   -2 :              -0.00010485672863
                   -1 :              -0.00008128384948
                   +0 :              -0.00001397475743
                   +1 :              -0.00002765920126
                   +2 :               0.00003474219714
              9 vec=    -2.593388    -13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00005283885637
                2p
                   -1 :              -0.00003743746806
                   +0 :               0.00001568032727
                   +1 :              -0.00004038380415
                3s
                   +0 :              -0.00010728111474
                4s
                   +0 :               0.00006277889292
                3p
                   -1 :               0.00036483652445
                   +0 :               0.00012270040368
                   +1 :              -0.00005293491889
                4p
                   -1 :              -0.00010314970056
                   +0 :              -0.00005069822757
                   +1 :              -0.00006853880717
                3d
                   -2 :              -0.00000982515408
                   -1 :               0.00002258073813
                   +0 :               0.00004201474412
                   +1 :              -0.00003957534516
                   +2 :               0.00006077901015
             10 vec=    -2.593388     13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00011556857194
                2p
                   -1 :              -0.00003442557488
                   +0 :               0.00005378848859
                   +1 :              -0.00004721030510
                3s
                   +0 :               0.00156593870662
                4s
                   +0 :              -0.00019311615064
                3p
                   -1 :               0.00041599993967
                   +0 :               0.00000137764526
                   +1 :               0.00045293288363
                4p
                   -1 :              -0.00007726237083
                   +0 :               0.00001148241687
                   +1 :              -0.00007043344539
                3d
                   -2 :               0.00003594868722
                   -1 :              -0.00016624776578
                   +0 :               0.00004801018284
                   +1 :               0.00006466212044
                   +2 :              -0.00000194787937
             11 vec=    12.966938     -4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00002763371601
                2p
                   -1 :               0.00002367650713
                   +0 :              -0.00006634680403
                   +1 :              -0.00001711862708
                3s
                   +0 :              -0.00081470337639
                4s
                   +0 :               0.00006399260689
                3p
                   -1 :               0.00012845571854
                   +0 :               0.00013197066948
                   +1 :              -0.00014107502065
                4p
                   -1 :               0.00003667956387
                   +0 :              -0.00002106772302
                   +1 :               0.00004698735494
                3d
                   -2 :              -0.00002579586768
                   -1 :              -0.00007098288338
                   +0 :              -0.00000195333640
                   +1 :               0.00017315222072
                   +2 :               0.00002487980426
             12 vec=    12.966938      4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00011298067590
                2p
                   -1 :               0.00004618394589
                   +0 :              -0.00003964586477
                   +1 :              -0.00000080587263
                3s
                   +0 :              -0.00076371507440
                4s
                   +0 :               0.00007968186660
                3p
                   -1 :              -0.00031181307702
                   +0 :               0.00013801645719
                   +1 :               0.00000833249427
                4p
                   -1 :               0.00005070931348
                   +0 :              -0.00000098070423
                   +1 :              -0.00006657087603
                3d
                   -2 :              -0.00003479239985
                   -1 :              -0.00001903187234
                   +0 :              -0.00002803998670
                   +1 :               0.00005633209821
                   +2 :              -0.00003453915409
             13 vec=    -2.593388     -4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00018626174741
                2p
                   -1 :              -0.00003645495378
                   +0 :               0.00004035847025
                   +1 :              -0.00003189350739
                3s
                   +0 :               0.00126078719324
                4s
                   +0 :              -0.00025029588714
                3p
                   -1 :               0.00024239120222
                   +0 :              -0.00043754226560
                   +1 :               0.00010760217512
                4p
                   -1 :              -0.00003736619774
                   +0 :               0.00005904814217
                   +1 :              -0.00003025287997
                3d
                   -2 :              -0.00000772060669
                   -1 :              -0.00004735194701
                   +0 :              -0.00000490226117
                   +1 :               0.00002866838330
                   +2 :               0.00004070046442
             14 vec=    -2.593388      4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00016815337625
                2p
                   -1 :              -0.00002213776141
                   +0 :              -0.00002659959295
                   +1 :               0.00003049936868
                3s
                   +0 :              -0.00110207290426
                4s
                   +0 :               0.00017659043116
                3p
                   -1 :               0.00004138642425
                   +0 :               0.00031129147406
                   +1 :              -0.00000156552807
                4p
                   -1 :              -0.00000243430266
                   +0 :              -0.00001407597441
                   +1 :               0.00001560419677
                3d
                   -2 :               0.00003310649876
                   -1 :               0.00004105092014
                   +0 :               0.00002636442010
                   +1 :               0.00001846829640
                   +2 :               0.00002684533695
             15 vec=     5.186775      0.000000    -16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00001810837116
                2p
                   -1 :               0.00002473745810
                   +0 :              -0.00001375887729
                   +1 :              -0.00001309612166
                3s
                   +0 :              -0.00015871428898
                4s
                   +0 :               0.00007370545598
                3p
                   -1 :               0.00004734680899
                   +0 :               0.00012625079154
                   +1 :               0.00022709356754
                4p
                   -1 :               0.00001981314319
                   +0 :              -0.00004497216776
                   +1 :              -0.00003757625015
                3d
                   -2 :               0.00002469183839
                   -1 :              -0.00001198404781
                   +0 :              -0.00002146215893
                   +1 :              -0.00005299078887
                   +2 :               0.00006913021117
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al(  8)  npairs=  12
              1 vec=    -2.593388     -4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :               0.00255246143637
                2p
                   -1 :              -0.00176607363148
                   +0 :              -0.00236231420363
                   +1 :               0.00067689163670
                3s
                   +0 :              -0.00359518004497
                4s
                   +0 :               0.00255207791159
                3p
                   -1 :               0.01987364407568
                   +0 :               0.00648517335382
                   +1 :               0.01079820799824
                4p
                   -1 :              -0.00239293772697
                   +0 :              -0.00262485115718
                   +1 :              -0.00033057798915
                3d
                   -2 :              -0.01267805477102
                   -1 :               0.00774077823589
                   +0 :               0.00968942584832
                   +1 :              -0.00219753211002
                   +2 :              -0.00383921658469
              2 vec=    -2.593388      4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00732287775880
                2p
                   -1 :              -0.00093261190249
                   +0 :               0.00342214742703
                   +1 :               0.00302765090869
                3s
                   +0 :               0.02931778811379
                4s
                   +0 :              -0.00599380110217
                3p
                   -1 :               0.00720586891327
                   +0 :              -0.01730606220186
                   +1 :              -0.00999590297997
                4p
                   -1 :               0.00005646892822
                   +0 :               0.00480075648021
                   +1 :               0.00185963845108
                3d
                   -2 :               0.00351507000137
                   -1 :               0.00339026545903
                   +0 :               0.00430208743432
                   +1 :               0.00003970477017
                   +2 :              -0.00804582213625
              3 vec=     5.186775      0.000000      0.930106   |vec|=    5.269510
                2s
                   +0 :               0.00477041632244
                2p
                   -1 :               0.00068647448074
                   +0 :              -0.00105983322340
                   +1 :               0.00113047224230
                3s
                   +0 :              -0.02572260806882
                4s
                   +0 :               0.00344172319058
                3p
                   -1 :              -0.00446847186177
                   +0 :               0.01082088884805
                   +1 :               0.01137176760921
                4p
                   -1 :               0.00072854867766
                   +0 :              -0.00217590532303
                   +1 :              -0.00135671815662
                3d
                   -2 :              -0.00093846511347
                   -1 :               0.00750302581999
                   +0 :              -0.01399151328264
                   +1 :               0.00268874091433
                   +2 :               0.00808113805908
              4 vec=   -10.373550     -0.000000      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00041949321395
                2p
                   -1 :               0.00003168447735
                   +0 :               0.00005385889589
                   +1 :               0.00036949456148
                3s
                   +0 :              -0.01096112314041
                4s
                   +0 :               0.00094552469498
                3p
                   -1 :              -0.00200310836576
                   +0 :              -0.00163298941874
                   +1 :               0.00160867667378
                4p
                   -1 :               0.00010145454078
                   +0 :              -0.00012281002451
                   +1 :              -0.00018067818077
                3d
                   -2 :               0.00036637502049
                   -1 :               0.00149566958550
                   +0 :              -0.00128331883754
                   +1 :               0.00043235842941
                   +2 :               0.00073472218438
              5 vec=     5.186775     -8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :              -0.00053970535067
                2p
                   -1 :              -0.00010329596392
                   +0 :              -0.00036366620787
                   +1 :               0.00007874825224
                3s
                   +0 :               0.00613746632662
                4s
                   +0 :              -0.00106598660182
                3p
                   -1 :               0.00121508182750
                   +0 :               0.00849522860149
                   +1 :               0.00366956576541
                4p
                   -1 :               0.00026746975976
                   +0 :              -0.00043314338041
                   +1 :              -0.00001460772280
                3d
                   -2 :              -0.00062620522895
                   -1 :              -0.00115533119937
                   +0 :               0.00150692773816
                   +1 :               0.00167706007017
                   +2 :               0.00062367012410
              6 vec=     5.186775      8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00012021213672
                2p
                   -1 :               0.00021598794657
                   +0 :               0.00030980731198
                   +1 :               0.00010722491570
                3s
                   +0 :               0.00482365681379
                4s
                   +0 :               0.00012046190685
                3p
                   -1 :              -0.00217879557686
                   +0 :              -0.00686223918276
                   +1 :               0.00542615568117
                4p
                   -1 :               0.00004064091485
                   +0 :               0.00055595340492
                   +1 :               0.00004613044526
                3d
                   -2 :              -0.00022608900957
                   -1 :              -0.00090777404797
                   +0 :              -0.00022360890062
                   +1 :              -0.00124112477536
                   +2 :               0.00153879586555
              7 vec=   -10.373550     -8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00016908102275
                2p
                   -1 :              -0.00013230392202
                   +0 :               0.00007636202342
                   +1 :              -0.00001313601136
                3s
                   +0 :               0.00018388683069
                4s
                   +0 :              -0.00003239577627
                3p
                   -1 :               0.00078178317680
                   +0 :               0.00088281145756
                   +1 :              -0.00022834145928
                4p
                   -1 :              -0.00020169992133
                   +0 :              -0.00004062733174
                   +1 :               0.00018347440012
                3d
                   -2 :              -0.00001556207694
                   -1 :              -0.00022011309276
                   +0 :               0.00024441692138
                   +1 :              -0.00014520512140
                   +2 :              -0.00012185876821
              8 vec=   -10.373550      8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00018120490838
                2p
                   -1 :               0.00003369512300
                   +0 :              -0.00015310182479
                   +1 :               0.00003776177401
                3s
                   +0 :              -0.00148511237341
                4s
                   +0 :               0.00014294823178
                3p
                   -1 :               0.00017773242872
                   +0 :               0.00072739896121
                   +1 :               0.00016261896279
                4p
                   -1 :              -0.00015876068273
                   +0 :              -0.00020740391901
                   +1 :               0.00011569867949
                3d
                   -2 :              -0.00008667796470
                   -1 :               0.00011074480193
                   +0 :              -0.00015655168757
                   +1 :              -0.00003964513344
                   +2 :              -0.00010394078257
              9 vec=    -2.593388    -13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00024006688388
                2p
                   -1 :              -0.00000301477881
                   +0 :               0.00013250205638
                   +1 :               0.00001385655589
                3s
                   +0 :               0.00251395394777
                4s
                   +0 :              -0.00046260616591
                3p
                   -1 :               0.00020857169281
                   +0 :              -0.00042830442182
                   +1 :               0.00066086257640
                4p
                   -1 :              -0.00014572246820
                   +0 :               0.00015691689483
                   +1 :              -0.00022110427083
                3d
                   -2 :              -0.00019811334442
                   -1 :              -0.00004546528744
                   +0 :               0.00033132633381
                   +1 :               0.00008656227845
                   +2 :               0.00010103990665
             10 vec=    -2.593388     13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00055458077976
                2p
                   -1 :              -0.00017369198013
                   +0 :               0.00001759401691
                   +1 :               0.00012736945775
                3s
                   +0 :               0.00229324136840
                4s
                   +0 :              -0.00052762856366
                3p
                   -1 :               0.00128476092696
                   +0 :              -0.00146361010183
                   +1 :              -0.00060003811983
                4p
                   -1 :              -0.00012148572746
                   +0 :               0.00019347142641
                   +1 :               0.00016277872050
                3d
                   -2 :               0.00019064349574
                   -1 :              -0.00031446059002
                   +0 :              -0.00024519963665
                   +1 :               0.00013453633981
                   +2 :              -0.00042520573641
             11 vec=    12.966938     -4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00038549975702
                2p
                   -1 :              -0.00003131664545
                   +0 :              -0.00009395604033
                   +1 :               0.00009295983293
                3s
                   +0 :              -0.00247712819909
                4s
                   +0 :               0.00056002433993
                3p
                   -1 :               0.00071137330134
                   +0 :               0.00058079864427
                   +1 :              -0.00084978129873
                4p
                   -1 :              -0.00017951580869
                   +0 :              -0.00015284409468
                   +1 :               0.00010365903068
                3d
                   -2 :               0.00035024689002
                   -1 :              -0.00002502362949
                   +0 :               0.00000078271526
                   +1 :               0.00007637293862
                   +2 :              -0.00009495298796
             12 vec=    12.966938      4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00005886197551
                2p
                   -1 :               0.00003604269827
                   +0 :               0.00002059976841
                   +1 :              -0.00000598254258
                3s
                   +0 :              -0.00102884157436
                4s
                   +0 :               0.00031965793413
                3p
                   -1 :              -0.00023833956589
                   +0 :              -0.00029909453939
                   +1 :               0.00043844835573
                4p
                   -1 :               0.00013943833558
                   +0 :               0.00005048702418
                   +1 :              -0.00004141137067
                3d
                   -2 :               0.00003512282959
                   -1 :              -0.00007665906760
                   +0 :              -0.00017477464624
                   +1 :              -0.00011182333322
                   +2 :               0.00009505543175
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al(  9)  npairs=  12
              1 vec=    -5.186775     -0.000000     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00249797380684
                2p
                   -1 :              -0.00141542068787
                   +0 :              -0.00138818957052
                   +1 :               0.00015006170422
                3s
                   +0 :              -0.01927502718269
                4s
                   +0 :              -0.00034423511324
                3p
                   -1 :               0.02397940788881
                   +0 :               0.01237964972898
                   +1 :              -0.00941172573501
                4p
                   -1 :              -0.00233156022207
                   +0 :              -0.00167457235127
                   +1 :               0.00238202552083
                3d
                   -2 :              -0.00103454750487
                   -1 :              -0.00638020564905
                   +0 :              -0.00161832336967
                   +1 :               0.00008850790100
                   +2 :               0.00961889641814
              2 vec=     2.593388     -4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :              -0.00672297967487
                2p
                   -1 :               0.00151509338745
                   +0 :               0.00249145075405
                   +1 :              -0.00247066674576
                3s
                   +0 :               0.02960354081525
                4s
                   +0 :              -0.00736130138383
                3p
                   -1 :               0.01288960849670
                   +0 :              -0.01593026593508
                   +1 :               0.01781652635818
                4p
                   -1 :               0.00165251974833
                   +0 :               0.00336526179911
                   +1 :              -0.00238865540594
                3d
                   -2 :               0.01126596393948
                   -1 :              -0.00148984579698
                   +0 :              -0.00124836504267
                   +1 :              -0.00483250563239
                   +2 :               0.00218916844309
              3 vec=     2.593388      4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00422500586804
                2p
                   -1 :               0.00231945376389
                   +0 :              -0.00110326118352
                   +1 :               0.00137759711461
                3s
                   +0 :              -0.01032851363256
                4s
                   +0 :               0.00770553649707
                3p
                   -1 :              -0.00514584982059
                   +0 :               0.00355061620610
                   +1 :              -0.00540164768486
                4p
                   -1 :               0.00379201063907
                   +0 :              -0.00169068944784
                   +1 :               0.00344699952251
                3d
                   -2 :              -0.00131862495229
                   -1 :               0.00032669700928
                   +0 :               0.00286668841235
                   +1 :               0.00186317699984
                   +2 :              -0.00474852295973
              4 vec=    -5.186775     -8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :              -0.00326368393593
                2p
                   -1 :               0.00056047124459
                   +0 :               0.00122964728839
                   +1 :               0.00029726461254
                3s
                   +0 :               0.02397514446297
                4s
                   +0 :              -0.00257117284038
                3p
                   -1 :              -0.00438717319060
                   +0 :              -0.01383303439379
                   +1 :              -0.00766570414892
                4p
                   -1 :               0.00054266950985
                   +0 :               0.00208171580538
                   +1 :              -0.00004997956430
                3d
                   -2 :               0.00034183154749
                   -1 :               0.00192738474249
                   +0 :               0.00164583901669
                   +1 :               0.00349177179329
                   +2 :               0.00102355926586
              5 vec=    -5.186775      8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :               0.00176404989370
                2p
                   -1 :               0.00023116863759
                   +0 :              -0.00056543234922
                   +1 :              -0.00033427869355
                3s
                   +0 :              -0.01179656732087
                4s
                   +0 :               0.00136633607418
                3p
                   -1 :              -0.00407219103322
                   +0 :               0.00600872393091
                   +1 :               0.00149187409028
                4p
                   -1 :               0.00008431594435
                   +0 :              -0.00077822440346
                   +1 :              -0.00050315373704
                3d
                   -2 :               0.00007661459687
                   -1 :               0.00170865396785
                   +0 :              -0.00063600094730
                   +1 :              -0.00028721222970
                   +2 :               0.00020377903722
              6 vec=    10.373550      0.000000     -3.160987   |vec|=   10.844463
                2s
                   +0 :               0.00149963404223
                2p
                   -1 :              -0.00015111260558
                   +0 :              -0.00066421493918
                   +1 :               0.00026667738269
                3s
                   +0 :              -0.01217857714210
                4s
                   +0 :               0.00120483676620
                3p
                   -1 :               0.00370101328038
                   +0 :               0.00782431046288
                   +1 :              -0.00335969757935
                4p
                   -1 :              -0.00007896761884
                   +0 :              -0.00130349140191
                   +1 :               0.00012037918097
                3d
                   -2 :               0.00091917357570
                   -1 :              -0.00145467680924
                   +0 :              -0.00100983806938
                   +1 :               0.00179170618922
                   +2 :               0.00038398453480
              7 vec=   -12.966938     -4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00012407514860
                2p
                   -1 :              -0.00009389806004
                   +0 :               0.00004467963329
                   +1 :               0.00011210114202
                3s
                   +0 :              -0.00050400523075
                4s
                   +0 :              -0.00009561660630
                3p
                   -1 :               0.00062593674395
                   +0 :               0.00011935331926
                   +1 :               0.00021332294499
                4p
                   -1 :              -0.00012136191659
                   +0 :              -0.00001857922354
                   +1 :               0.00013685209808
                3d
                   -2 :              -0.00013261049312
                   -1 :               0.00005856566234
                   +0 :               0.00005833260001
                   +1 :              -0.00004485821458
                   +2 :              -0.00024534139842
              8 vec=   -12.966938      4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00021802617231
                2p
                   -1 :               0.00001030788402
                   +0 :              -0.00004404349054
                   +1 :              -0.00007086034290
                3s
                   +0 :              -0.00205263264026
                4s
                   +0 :               0.00021250793134
                3p
                   -1 :              -0.00022361472244
                   +0 :               0.00061647939959
                   +1 :               0.00021054509100
                4p
                   -1 :              -0.00009185212050
                   +0 :              -0.00013414558716
                   +1 :              -0.00001400405765
                3d
                   -2 :              -0.00003140014169
                   -1 :              -0.00009902553356
                   +0 :              -0.00003769848589
                   +1 :              -0.00015387929346
                   +2 :              -0.00011007046619
              9 vec=     2.593388    -13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00035801753133
                2p
                   -1 :               0.00009059450265
                   +0 :               0.00010947546039
                   +1 :              -0.00001390584922
                3s
                   +0 :               0.00343496969833
                4s
                   +0 :              -0.00055493889638
                3p
                   -1 :              -0.00058429354609
                   +0 :              -0.00123291780910
                   +1 :              -0.00016101523975
                4p
                   -1 :               0.00003216272624
                   +0 :               0.00033693828834
                   +1 :              -0.00008455170629
                3d
                   -2 :              -0.00014237364691
                   -1 :               0.00010914882495
                   +0 :               0.00023663631538
                   +1 :              -0.00030117438919
                   +2 :              -0.00016983526462
             10 vec=     2.593388     13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00019832074222
                2p
                   -1 :               0.00009897881197
                   +0 :              -0.00006176086363
                   +1 :               0.00002739386779
                3s
                   +0 :              -0.00070987022660
                4s
                   +0 :               0.00034458577662
                3p
                   -1 :              -0.00019656076206
                   +0 :               0.00036236273532
                   +1 :              -0.00028214866114
                4p
                   -1 :               0.00019610927063
                   +0 :               0.00003858559014
                   +1 :               0.00002929711498
                3d
                   -2 :              -0.00000737873389
                   -1 :               0.00025445282074
                   +0 :              -0.00017947683068
                   +1 :              -0.00000485589337
                   +2 :              -0.00008378009866
             11 vec=    10.373550     -8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00007424559362
                2p
                   -1 :              -0.00007081827540
                   +0 :               0.00001708123034
                   +1 :              -0.00009728876605
                3s
                   +0 :               0.00121387545735
                4s
                   +0 :              -0.00024896917032
                3p
                   -1 :              -0.00021440300682
                   +0 :              -0.00048171605458
                   +1 :               0.00067789087668
                4p
                   -1 :              -0.00005577167064
                   +0 :              -0.00002000636660
                   +1 :              -0.00019186350656
                3d
                   -2 :              -0.00020991080336
                   -1 :               0.00019115226792
                   +0 :               0.00012114423067
                   +1 :              -0.00019450030943
                   +2 :              -0.00005610686369
             12 vec=    10.373550      8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00013999135901
                2p
                   -1 :               0.00000112715495
                   +0 :              -0.00006543196985
                   +1 :               0.00002714715526
                3s
                   +0 :              -0.00138233705807
                4s
                   +0 :               0.00034243096504
                3p
                   -1 :              -0.00008217344879
                   +0 :               0.00061643840951
                   +1 :              -0.00028759209826
                4p
                   -1 :               0.00003125135877
                   +0 :              -0.00020279270119
                   +1 :               0.00005812212576
                3d
                   -2 :              -0.00013864472799
                   -1 :               0.00013262294045
                   +0 :              -0.00019893782949
                   +1 :              -0.00004724255843
                   +2 :              -0.00004384699074
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al( 10)  npairs=  12
              1 vec=    -5.186775     -0.000000      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00431710393584
                2p
                   -1 :               0.00192496964405
                   +0 :               0.00066623901050
                   +1 :              -0.00060263770797
                3s
                   +0 :              -0.04873150265505
                4s
                   +0 :               0.00056509888570
                3p
                   -1 :              -0.02557252831041
                   +0 :              -0.00823818019848
                   +1 :               0.01704304472846
                4p
                   -1 :               0.00214041745088
                   +0 :              -0.00008835702403
                   +1 :               0.00163888292036
                3d
                   -2 :               0.00698231601207
                   -1 :              -0.00424296588337
                   +0 :               0.00355174659401
                   +1 :               0.00092746662800
                   +2 :               0.00016570289013
              2 vec=     2.593388     -4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00224670886077
                2p
                   -1 :              -0.00077699994367
                   +0 :               0.00113597998551
                   +1 :               0.00125418461649
                3s
                   +0 :              -0.00683070153231
                4s
                   +0 :               0.00527179217010
                3p
                   -1 :               0.00358212657958
                   +0 :               0.00320271717195
                   +1 :               0.00519301469533
                4p
                   -1 :              -0.00288174195196
                   +0 :               0.00269187655117
                   +1 :               0.00283203006002
                3d
                   -2 :              -0.00653354355067
                   -1 :              -0.00469851581130
                   +0 :               0.00155634550904
                   +1 :              -0.00007490771166
                   +2 :              -0.00272221340112
              3 vec=     2.593388      4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :              -0.00656381279661
                2p
                   -1 :              -0.00103407045310
                   +0 :              -0.00180221899601
                   +1 :              -0.00201420084895
                3s
                   +0 :               0.05556220418737
                4s
                   +0 :              -0.00583689105579
                3p
                   -1 :              -0.00073277382111
                   +0 :               0.00503546302653
                   +1 :               0.03636670148519
                4p
                   -1 :              -0.00140395798394
                   +0 :              -0.00260351952714
                   +1 :              -0.00211386113453
                3d
                   -2 :              -0.00227662264153
                   -1 :              -0.00360265920510
                   +0 :              -0.00510809210305
                   +1 :               0.00003176164789
                   +2 :               0.01042682247982
              4 vec=    -5.186775     -8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00056945153967
                2p
                   -1 :               0.00003440910579
                   +0 :               0.00027308814556
                   +1 :              -0.00000180778493
                3s
                   +0 :              -0.00287180700948
                4s
                   +0 :              -0.00000960651104
                3p
                   -1 :               0.00056148906039
                   +0 :              -0.00057701285976
                   +1 :              -0.00046605369753
                4p
                   -1 :               0.00009997134771
                   +0 :              -0.00023776561875
                   +1 :               0.00023801022686
                3d
                   -2 :               0.00026097949076
                   -1 :               0.00060209697645
                   +0 :               0.00035497316876
                   +1 :               0.00004189381416
                   +2 :              -0.00027309420610
              5 vec=    -5.186775      8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00112606345162
                2p
                   -1 :               0.00005940847361
                   +0 :              -0.00059521743040
                   +1 :               0.00003902839334
                3s
                   +0 :               0.00855607685452
                4s
                   +0 :              -0.00070727805177
                3p
                   -1 :              -0.00159609397765
                   +0 :               0.00572822558958
                   +1 :              -0.00374428322561
                4p
                   -1 :               0.00038108216314
                   +0 :              -0.00054541687839
                   +1 :               0.00013763420372
                3d
                   -2 :               0.00055515117925
                   -1 :               0.00052661988255
                   +0 :               0.00052459729737
                   +1 :              -0.00169802076144
                   +2 :               0.00072586067894
              6 vec=    10.373550      0.000000      4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00055661191195
                2p
                   -1 :               0.00008227395748
                   +0 :               0.00032212928484
                   +1 :              -0.00000303978340
                3s
                   +0 :              -0.00568426984504
                4s
                   +0 :               0.00071688456281
                3p
                   -1 :              -0.00335633250938
                   +0 :              -0.00515121272981
                   +1 :              -0.00023664673985
                4p
                   -1 :               0.00015359856945
                   +0 :               0.00078318249715
                   +1 :              -0.00005562689215
                3d
                   -2 :              -0.00045705497267
                   -1 :              -0.00094245179339
                   +0 :              -0.00087957046613
                   +1 :              -0.00076269839292
                   +2 :               0.00048114339172
              7 vec=   -12.966938     -4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00066589211680
                2p
                   -1 :              -0.00004700827560
                   +0 :               0.00008396310825
                   +1 :              -0.00017224555672
                3s
                   +0 :              -0.00332713394838
                4s
                   +0 :               0.00061746853615
                3p
                   -1 :               0.00072038552234
                   +0 :              -0.00034844644925
                   +1 :               0.00118570275450
                4p
                   -1 :              -0.00009386035675
                   +0 :               0.00016150624857
                   +1 :              -0.00013987278144
                3d
                   -2 :              -0.00027258588593
                   -1 :              -0.00008996625152
                   +0 :               0.00008006177224
                   +1 :               0.00008805155069
                   +2 :              -0.00005282436386
              8 vec=   -12.966938      4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00004709812720
                2p
                   -1 :               0.00003261792413
                   +0 :              -0.00006023191673
                   +1 :              -0.00005850660258
                3s
                   +0 :              -0.00042565960618
                4s
                   +0 :               0.00001349067435
                3p
                   -1 :              -0.00007538930747
                   +0 :               0.00029951133372
                   +1 :               0.00022380281088
                4p
                   -1 :               0.00001906098243
                   +0 :              -0.00004586725966
                   +1 :              -0.00001407771240
                3d
                   -2 :               0.00001953182658
                   -1 :               0.00010740205861
                   +0 :               0.00018152837156
                   +1 :              -0.00000213341835
                   +2 :              -0.00015593277298
              9 vec=     2.593388    -13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00000764867992
                2p
                   -1 :              -0.00005404420848
                   +0 :               0.00005876749462
                   +1 :              -0.00000385217587
                3s
                   +0 :               0.00057995686319
                4s
                   +0 :               0.00016638021555
                3p
                   -1 :               0.00024361869964
                   +0 :               0.00011058877847
                   +1 :              -0.00004629627453
                4p
                   -1 :              -0.00023134133901
                   +0 :              -0.00010689005500
                   +1 :               0.00001142494550
                3d
                   -2 :              -0.00006001162512
                   -1 :               0.00005523205468
                   +0 :              -0.00005961346621
                   +1 :              -0.00000003800728
                   +2 :              -0.00000616851002
             10 vec=     2.593388     13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00101717032150
                2p
                   -1 :              -0.00024958517617
                   +0 :              -0.00002441243267
                   +1 :              -0.00001566869067
                3s
                   +0 :               0.00556434244141
                4s
                   +0 :              -0.00120433835750
                3p
                   -1 :               0.00240347333696
                   +0 :               0.00005808318803
                   +1 :               0.00030547505893
                4p
                   -1 :              -0.00042007736794
                   +0 :              -0.00005219376839
                   +1 :              -0.00001832249157
                3d
                   -2 :              -0.00006165469728
                   -1 :              -0.00006795966493
                   +0 :               0.00003950380947
                   +1 :               0.00029399058097
                   +2 :              -0.00051564439155
             11 vec=    10.373550     -8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00035127820469
                2p
                   -1 :              -0.00001269718224
                   +0 :              -0.00005955067558
                   +1 :               0.00008147961842
                3s
                   +0 :              -0.00223720849303
                4s
                   +0 :               0.00058686982135
                3p
                   -1 :               0.00079962988417
                   +0 :               0.00029036326121
                   +1 :              -0.00071200789755
                4p
                   -1 :              -0.00015170322348
                   +0 :              -0.00010931248018
                   +1 :               0.00020341458234
                3d
                   -2 :               0.00023369360975
                   -1 :               0.00009938547363
                   +0 :              -0.00011956558171
                   +1 :               0.00017196280279
                   +2 :              -0.00010156260988
             12 vec=    10.373550      8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00003944944728
                2p
                   -1 :              -0.00005804526413
                   +0 :               0.00000146442211
                   +1 :              -0.00010623099761
                3s
                   +0 :              -0.00015429725701
                4s
                   +0 :              -0.00017987088990
                3p
                   -1 :               0.00031802736559
                   +0 :              -0.00041010011218
                   +1 :               0.00036502230635
                4p
                   -1 :              -0.00012822612789
                   +0 :               0.00015275731466
                   +1 :              -0.00021818115497
                3d
                   -2 :               0.00010945975703
                   -1 :               0.00007950237744
                   +0 :              -0.00012191490535
                   +1 :              -0.00004626626153
                   +2 :              -0.00001216399163
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al( 11)  npairs=  15
              1 vec=    -5.186775     -0.000000     -8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00014658360209
                2p
                   -1 :              -0.00081149092489
                   +0 :               0.00031815192320
                   +1 :               0.00051763273008
                3s
                   +0 :              -0.00465136082122
                4s
                   +0 :               0.00007668817112
                3p
                   -1 :               0.00726555305995
                   +0 :               0.00059476709662
                   +1 :              -0.00161401142810
                4p
                   -1 :              -0.00095157364487
                   +0 :               0.00026592069660
                   +1 :               0.00011108661266
                3d
                   -2 :               0.00019216080875
                   -1 :              -0.00110336194762
                   +0 :               0.00016758013147
                   +1 :               0.00053690858139
                   +2 :               0.00116933494288
              2 vec=     2.593388     -4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00253245393182
                2p
                   -1 :              -0.00024568121943
                   +0 :               0.00054577606425
                   +1 :              -0.00043107154342
                3s
                   +0 :               0.01722894257214
                4s
                   +0 :              -0.00396388396617
                3p
                   -1 :               0.00371592637048
                   +0 :              -0.00639405380199
                   +1 :               0.00737748353039
                4p
                   -1 :               0.00030362464758
                   +0 :               0.00129345531451
                   +1 :              -0.00077857940284
                3d
                   -2 :               0.00199306280452
                   -1 :              -0.00055512976809
                   +0 :              -0.00008627357836
                   +1 :              -0.00086924290511
                   +2 :               0.00047341076183
              3 vec=     2.593388      4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00267903753391
                2p
                   -1 :               0.00029301592937
                   +0 :              -0.00086392798745
                   +1 :               0.00053328617197
                3s
                   +0 :              -0.01257758175092
                4s
                   +0 :               0.00388719579505
                3p
                   -1 :              -0.00229612333683
                   +0 :               0.00579928670537
                   +1 :              -0.00019233083588
                4p
                   -1 :               0.00044649887166
                   +0 :              -0.00155937601111
                   +1 :               0.00075328721295
                3d
                   -2 :               0.00048992378674
                   -1 :               0.00038851705103
                   +0 :              -0.00008130655310
                   +1 :               0.00030861583278
                   +2 :              -0.00073825402571
              4 vec=    -5.186775     -8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00069772653203
                2p
                   -1 :              -0.00000981072059
                   +0 :               0.00013958536071
                   +1 :               0.00001166278433
                3s
                   +0 :               0.00474627167910
                4s
                   +0 :              -0.00121226477684
                3p
                   -1 :              -0.00001427621071
                   +0 :              -0.00044510179184
                   +1 :              -0.00056997050509
                4p
                   -1 :              -0.00005772857561
                   +0 :               0.00027638171315
                   +1 :               0.00012855337085
                3d
                   -2 :              -0.00038337490719
                   -1 :               0.00014947613447
                   +0 :               0.00075329575754
                   +1 :              -0.00030887493831
                   +2 :               0.00008295889099
              5 vec=    -5.186775      8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00071178168264
                2p
                   -1 :               0.00000746142522
                   +0 :              -0.00021782903406
                   +1 :              -0.00011723143805
                3s
                   +0 :              -0.00353807602360
                4s
                   +0 :               0.00091390604331
                3p
                   -1 :              -0.00025373917813
                   +0 :               0.00078129004459
                   +1 :               0.00059892554431
                4p
                   -1 :               0.00000531804099
                   +0 :              -0.00029570937639
                   +1 :              -0.00003863504333
                3d
                   -2 :              -0.00007806320828
                   -1 :              -0.00002659904792
                   +0 :              -0.00044302660191
                   +1 :              -0.00035014954343
                   +2 :              -0.00020657503200
              6 vec=    10.373550      0.000000     -8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00001405515061
                2p
                   -1 :              -0.00011280031867
                   +0 :               0.00007824367334
                   +1 :              -0.00006774244391
                3s
                   +0 :              -0.00120819565550
                4s
                   +0 :               0.00029835873353
                3p
                   -1 :               0.00087828597874
                   +0 :              -0.00033618825276
                   +1 :               0.00022185853266
                4p
                   -1 :              -0.00017099468121
                   +0 :               0.00001932766324
                   +1 :              -0.00000964080785
                3d
                   -2 :               0.00002002467483
                   -1 :               0.00002569368671
                   +0 :              -0.00031026915563
                   +1 :              -0.00017702665995
                   +2 :               0.00020259961683
              7 vec=   -12.966938     -4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00002899083724
                2p
                   -1 :              -0.00000791380908
                   +0 :              -0.00000452365032
                   +1 :              -0.00001948273821
                3s
                   +0 :               0.00019396275286
                4s
                   +0 :               0.00000759009446
                3p
                   -1 :               0.00009287732607
                   +0 :              -0.00008126783485
                   +1 :               0.00001258767407
                4p
                   -1 :              -0.00001752352218
                   +0 :              -0.00002293550259
                   +1 :              -0.00001745563540
                3d
                   -2 :              -0.00001175299473
                   -1 :              -0.00005559686673
                   +0 :               0.00003337326842
                   +1 :               0.00006881054024
                   +2 :               0.00001199179444
              8 vec=   -12.966938      4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00019968915294
                2p
                   -1 :               0.00000513680253
                   +0 :              -0.00000839325599
                   +1 :               0.00001845699279
                3s
                   +0 :              -0.00138233130593
                4s
                   +0 :               0.00022323076208
                3p
                   -1 :              -0.00018011925198
                   +0 :               0.00013500650259
                   +1 :               0.00002371624756
                4p
                   -1 :               0.00001449094939
                   +0 :               0.00001253961741
                   +1 :               0.00004849210259
                3d
                   -2 :               0.00002778328039
                   -1 :               0.00001731599586
                   +0 :              -0.00007010172428
                   +1 :              -0.00002272123972
                   +2 :              -0.00010044406987
              9 vec=     2.593388    -13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00036089484480
                2p
                   -1 :              -0.00000638427117
                   +0 :               0.00002206149577
                   +1 :               0.00006312388890
                3s
                   +0 :               0.00259595249910
                4s
                   +0 :              -0.00039545648898
                3p
                   -1 :              -0.00019310773511
                   +0 :              -0.00025287604008
                   +1 :              -0.00045395202204
                4p
                   -1 :              -0.00006996546967
                   +0 :              -0.00001953571230
                   +1 :               0.00012650996570
                3d
                   -2 :              -0.00002111721902
                   -1 :               0.00004326056504
                   +0 :               0.00018821214967
                   +1 :               0.00001854176610
                   +2 :              -0.00009605057006
             10 vec=     2.593388     13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00018490815016
                2p
                   -1 :               0.00004573292190
                   +0 :              -0.00002318004647
                   +1 :               0.00000164856184
                3s
                   +0 :              -0.00083948716634
                4s
                   +0 :               0.00011134653011
                3p
                   -1 :              -0.00024049517295
                   +0 :               0.00008404569677
                   +1 :               0.00003623149409
                4p
                   -1 :               0.00000979479742
                   +0 :               0.00000313746644
                   +1 :              -0.00004165397307
                3d
                   -2 :              -0.00005131530175
                   -1 :               0.00000950279914
                   +0 :              -0.00004445404218
                   +1 :              -0.00001401059589
                   +2 :               0.00001475414859
             11 vec=    10.373550     -8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00015591731293
                2p
                   -1 :               0.00003720979906
                   +0 :               0.00002770369679
                   +1 :              -0.00005537652005
                3s
                   +0 :               0.00064552441348
                4s
                   +0 :              -0.00011893662457
                3p
                   -1 :              -0.00005333277466
                   +0 :              -0.00000277786193
                   +1 :               0.00031311863716
                4p
                   -1 :              -0.00002482073753
                   +0 :               0.00001979803615
                   +1 :              -0.00005321316300
                3d
                   -2 :              -0.00003392641711
                   -1 :              -0.00009477224166
                   +0 :               0.00001108077376
                   +1 :              -0.00002897799224
                   +2 :              -0.00002088899140
             12 vec=    10.373550      8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00016120569186
                2p
                   -1 :              -0.00003930640106
                   +0 :              -0.00001366823979
                   +1 :               0.00003081289834
                3s
                   +0 :              -0.00121362119318
                4s
                   +0 :               0.00017222572690
                3p
                   -1 :               0.00022705936251
                   +0 :               0.00011786953749
                   +1 :              -0.00022636624358
                4p
                   -1 :              -0.00009530271154
                   +0 :               0.00000699609488
                   +1 :               0.00001435962974
                3d
                   -2 :               0.00000713791312
                   -1 :              -0.00000544653083
                   +0 :              -0.00011811042539
                   +1 :               0.00002037891919
                   +2 :              -0.00005589824522
             13 vec=    -5.186775     -0.000000     16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00001387767147
                2p
                   -1 :              -0.00000783080457
                   +0 :               0.00006071303979
                   +1 :               0.00002266890176
                3s
                   +0 :              -0.00035187633089
                4s
                   +0 :               0.00010247224823
                3p
                   -1 :               0.00004655547050
                   +0 :              -0.00049659445556
                   +1 :              -0.00017959482072
                4p
                   -1 :              -0.00001625469798
                   +0 :               0.00013948270110
                   +1 :              -0.00002632897035
                3d
                   -2 :               0.00006869956425
                   -1 :               0.00002503303771
                   +0 :              -0.00007529309537
                   +1 :               0.00001321294531
                   +2 :              -0.00005166668885
             14 vec=     2.593388     -4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00010419073089
                2p
                   -1 :               0.00001143872798
                   +0 :              -0.00003653437338
                   +1 :               0.00003012981737
                3s
                   +0 :               0.00016854451358
                4s
                   +0 :              -0.00010988238574
                3p
                   -1 :              -0.00013936883301
                   +0 :               0.00021399149525
                   +1 :              -0.00009516606461
                4p
                   -1 :               0.00002319191682
                   +0 :              -0.00004095496778
                   +1 :               0.00001483534073
                3d
                   -2 :              -0.00000817490637
                   -1 :              -0.00002715214273
                   +0 :               0.00005391135721
                   +1 :              -0.00003330880150
                   +2 :              -0.00003012360278
             15 vec=     2.593388      4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00011806840235
                2p
                   -1 :              -0.00000465738074
                   +0 :              -0.00002417866641
                   +1 :               0.00004308726427
                3s
                   +0 :               0.00018333181731
                4s
                   +0 :               0.00000741013751
                3p
                   -1 :              -0.00011952412886
                   +0 :               0.00028260296031
                   +1 :              -0.00029839561269
                4p
                   -1 :              -0.00003218072971
                   +0 :              -0.00009852773332
                   +1 :               0.00002841495569
                3d
                   -2 :               0.00004891918875
                   -1 :               0.00003922946205
                   +0 :               0.00002138173817
                   +1 :              -0.00005524162006
                   +2 :               0.00002568009864
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site Al( 12)  npairs=  15
              1 vec=    -5.186775     -0.000000      9.112784   |vec|=   10.485489
                2s
                   +0 :              -0.00042067933283
                2p
                   -1 :               0.00014680590440
                   +0 :              -0.00012718839764
                   +1 :               0.00018330949094
                3s
                   +0 :               0.00513480503983
                4s
                   +0 :              -0.00042858785266
                3p
                   -1 :              -0.00322593845426
                   +0 :               0.00463621014422
                   +1 :              -0.00386053125093
                4p
                   -1 :               0.00003686293679
                   +0 :              -0.00040822154985
                   +1 :               0.00046864281678
                3d
                   -2 :              -0.00039654317009
                   -1 :              -0.00079008455349
                   +0 :               0.00180636667377
                   +1 :              -0.00168238649314
                   +2 :               0.00111369343492
              2 vec=     2.593388     -4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00041234244405
                2p
                   -1 :               0.00032768957403
                   +0 :              -0.00006246252041
                   +1 :              -0.00121526593644
                3s
                   +0 :              -0.00424958932483
                4s
                   +0 :               0.00093374183409
                3p
                   -1 :              -0.00162138426803
                   +0 :              -0.00131674750494
                   +1 :               0.00937228510903
                4p
                   -1 :               0.00075961126918
                   +0 :               0.00019931899883
                   +1 :              -0.00156371954512
                3d
                   -2 :              -0.00106473264266
                   -1 :              -0.00016404742941
                   +0 :               0.00008754164711
                   +1 :               0.00127557517098
                   +2 :              -0.00087034489602
              3 vec=     2.593388      4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00000833688878
                2p
                   -1 :               0.00144844958843
                   +0 :               0.00018965091805
                   +1 :              -0.00035932836972
                3s
                   +0 :              -0.00088521571501
                4s
                   +0 :              -0.00050515398143
                3p
                   -1 :              -0.01388361649249
                   +0 :              -0.00331946263928
                   +1 :               0.00414546161607
                4p
                   -1 :               0.00215831453809
                   +0 :               0.00020890255102
                   +1 :               0.00007838005222
                3d
                   -2 :              -0.00244886550306
                   -1 :              -0.00303873593600
                   +0 :              -0.00189390832089
                   +1 :               0.00033875839209
                   +2 :               0.00070034332723
              4 vec=    -5.186775     -8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :               0.00011230568484
                2p
                   -1 :              -0.00008592412609
                   +0 :              -0.00005789520260
                   +1 :               0.00003284224296
                3s
                   +0 :              -0.00056827983742
                4s
                   +0 :               0.00033766648144
                3p
                   -1 :               0.00061261234453
                   +0 :               0.00100255278043
                   +1 :              -0.00001899466724
                4p
                   -1 :              -0.00031283491541
                   +0 :              -0.00008041569845
                   +1 :              -0.00007324102579
                3d
                   -2 :               0.00006161867699
                   -1 :              -0.00014021601183
                   +0 :              -0.00030351367468
                   +1 :              -0.00014063838809
                   +2 :              -0.00001149120661
              5 vec=    -5.186775      8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :              -0.00080819843482
                2p
                   -1 :              -0.00014882989936
                   +0 :              -0.00005750499937
                   +1 :               0.00013164952760
                3s
                   +0 :               0.00456864874958
                4s
                   +0 :              -0.00132768636937
                3p
                   -1 :               0.00159152675475
                   +0 :              -0.00022707031066
                   +1 :              -0.00101452654806
                4p
                   -1 :              -0.00050958854083
                   +0 :              -0.00005536904800
                   +1 :               0.00028369518778
                3d
                   -2 :               0.00012620772187
                   -1 :              -0.00002598539349
                   +0 :               0.00050082404247
                   +1 :               0.00004922329609
                   +2 :              -0.00013416495320
              6 vec=    10.373550      0.000000      9.112784   |vec|=   13.807729
                2s
                   +0 :               0.00069589274997
                2p
                   -1 :              -0.00003180739415
                   +0 :               0.00011540020197
                   +1 :               0.00013672388297
                3s
                   +0 :              -0.00400036891216
                4s
                   +0 :               0.00099001988793
                3p
                   -1 :               0.00023991365058
                   +0 :              -0.00077548246977
                   +1 :              -0.00136452535504
                4p
                   -1 :              -0.00010209589963
                   +0 :               0.00013578474645
                   +1 :               0.00027562071889
                3d
                   -2 :               0.00020015178035
                   -1 :               0.00008132433904
                   +0 :              -0.00019731036780
                   +1 :              -0.00014463416337
                   +2 :              -0.00001689232623
              7 vec=    -5.186775     -0.000000    -15.434758   |vec|=   16.282948
                2s
                   +0 :               0.00002591947669
                2p
                   -1 :               0.00004946102327
                   +0 :              -0.00004102422028
                   +1 :              -0.00002973166547
                3s
                   +0 :              -0.00013936226905
                4s
                   +0 :               0.00008214017212
                3p
                   -1 :              -0.00006159550800
                   +0 :               0.00025009693194
                   +1 :              -0.00005804392021
                4p
                   -1 :               0.00005568840705
                   +0 :              -0.00011413679554
                   +1 :              -0.00000769644284
                3d
                   -2 :              -0.00002060368777
                   -1 :              -0.00001295324993
                   +0 :              -0.00000466544354
                   +1 :              -0.00004686290606
                   +2 :              -0.00002316998193
              8 vec=     2.593388     -4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :              -0.00001187764396
                2p
                   -1 :              -0.00001863748252
                   +0 :               0.00000897161880
                   +1 :               0.00003447791106
                3s
                   +0 :               0.00065119835943
                4s
                   +0 :              -0.00013266201361
                3p
                   -1 :               0.00027618803681
                   +0 :              -0.00021876035785
                   +1 :              -0.00018808163973
                4p
                   -1 :              -0.00004265238171
                   +0 :               0.00010889372039
                   +1 :               0.00006465282851
                3d
                   -2 :              -0.00002938714495
                   -1 :              -0.00002351998635
                   +0 :              -0.00001314574842
                   +1 :              -0.00007374973172
                   +2 :               0.00002169058856
              9 vec=     2.593388      4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :              -0.00001404183273
                2p
                   -1 :              -0.00004019535407
                   +0 :               0.00003205260148
                   +1 :              -0.00005660191318
                3s
                   +0 :              -0.00051183609039
                4s
                   +0 :               0.00005052184149
                3p
                   -1 :               0.00021991223296
                   +0 :              -0.00003133657409
                   +1 :               0.00016946635081
                4p
                   -1 :              -0.00005613829427
                   +0 :               0.00000524307515
                   +1 :              -0.00005668742846
                3d
                   -2 :               0.00001385497731
                   -1 :               0.00000504805591
                   +0 :               0.00001781119196
                   +1 :              -0.00006945738106
                   +2 :               0.00000686700036
             10 vec=   -12.966938     -4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00021544046554
                2p
                   -1 :              -0.00000657688665
                   +0 :               0.00008544600248
                   +1 :              -0.00003974625896
                3s
                   +0 :              -0.00176631697703
                4s
                   +0 :               0.00039848402572
                3p
                   -1 :               0.00017004047016
                   +0 :              -0.00069551774098
                   +1 :               0.00034893675503
                4p
                   -1 :               0.00001799416865
                   +0 :               0.00011981638073
                   +1 :              -0.00011745286630
                3d
                   -2 :              -0.00001614753142
                   -1 :               0.00003216039697
                   +0 :              -0.00012498892841
                   +1 :               0.00015208761450
                   +2 :              -0.00003897674435
             11 vec=   -12.966938      4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00011091626984
                2p
                   -1 :               0.00002371576234
                   +0 :               0.00001715852287
                   +1 :               0.00002014693543
                3s
                   +0 :              -0.00105486680714
                4s
                   +0 :               0.00012672518579
                3p
                   -1 :              -0.00017064822637
                   +0 :               0.00005389352484
                   +1 :               0.00020299620790
                4p
                   -1 :              -0.00000128292757
                   +0 :              -0.00001133117956
                   +1 :               0.00000370597399
                3d
                   -2 :              -0.00001724758057
                   -1 :               0.00004113202389
                   +0 :              -0.00001858351735
                   +1 :              -0.00001375324307
                   +2 :               0.00002948467720
             12 vec=     2.593388    -13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00001719271949
                2p
                   -1 :               0.00007036638259
                   +0 :              -0.00000378250687
                   +1 :              -0.00002648926072
                3s
                   +0 :               0.00028042555232
                4s
                   +0 :              -0.00011640378023
                3p
                   -1 :              -0.00035078821416
                   +0 :               0.00032815923087
                   +1 :               0.00041075698848
                4p
                   -1 :               0.00014746998333
                   +0 :              -0.00008226104299
                   +1 :              -0.00004459231054
                3d
                   -2 :              -0.00002630060300
                   -1 :              -0.00003855219849
                   +0 :              -0.00004191752931
                   +1 :               0.00014982414036
                   +2 :              -0.00000833576718
             13 vec=     2.593388     13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00039424287171
                2p
                   -1 :              -0.00008914019538
                   +0 :              -0.00016343649782
                   +1 :              -0.00001902906806
                3s
                   +0 :               0.00276046797936
                4s
                   +0 :              -0.00056087565595
                3p
                   -1 :               0.00052291299042
                   +0 :               0.00104466077884
                   +1 :               0.00000247930712
                4p
                   -1 :              -0.00010982220063
                   +0 :              -0.00017030727952
                   +1 :              -0.00011405694737
                3d
                   -2 :               0.00001598765675
                   -1 :               0.00023262012472
                   +0 :               0.00018156226063
                   +1 :               0.00005498904045
                   +2 :              -0.00003302449321
             14 vec=    10.373550     -8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00017880240617
                2p
                   -1 :              -0.00002991692739
                   +0 :               0.00007799049535
                   +1 :               0.00004211425927
                3s
                   +0 :              -0.00099415100233
                4s
                   +0 :               0.00016239163023
                3p
                   -1 :               0.00004643577907
                   +0 :              -0.00034914303786
                   +1 :              -0.00012988853576
                4p
                   -1 :              -0.00004297306393
                   +0 :               0.00005049089879
                   +1 :              -0.00000506268402
                3d
                   -2 :              -0.00000523473803
                   -1 :               0.00004830042904
                   +0 :              -0.00005657333222
                   +1 :              -0.00007006488920
                   +2 :              -0.00000817072947
             15 vec=    10.373550      8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00009372355035
                2p
                   -1 :               0.00008742920307
                   +0 :              -0.00001337601600
                   +1 :               0.00003722945960
                3s
                   +0 :               0.00077444125482
                4s
                   +0 :              -0.00001032140556
                3p
                   -1 :              -0.00044064433416
                   +0 :              -0.00038205275571
                   +1 :               0.00015087079253
                4p
                   -1 :               0.00011492106924
                   +0 :               0.00009359222255
                   +1 :               0.00010838063144
                3d
                   -2 :              -0.00005452755740
                   -1 :              -0.00014037225684
                   +0 :               0.00006050104667
                   +1 :              -0.00000097311222
                   +2 :               0.00001841460241
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 13)  npairs=  14
              1 vec=     2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :               0.00599102846688
                2s
                   +0 :              -0.07737625153287
                3s
                   +0 :               0.00650792673324
                2p
                   -1 :              -0.00490111931027
                   +0 :              -0.01553832796904
                   +1 :              -0.02092580124743
                3p
                   -1 :              -0.00685829937786
                   +0 :               0.01159977027967
                   +1 :               0.00710399690537
                3d
                   -2 :              -0.00033623109205
                   -1 :              -0.00113773744351
                   +0 :              -0.00028387153448
                   +1 :              -0.00786031003526
                   +2 :              -0.00626491863666
              2 vec=    -5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :              -0.00058377103514
                2s
                   +0 :               0.00367745417718
                3s
                   +0 :              -0.00257041309482
                2p
                   -1 :              -0.00545029193316
                   +0 :              -0.00010216173051
                   +1 :              -0.01063849736357
                3p
                   -1 :              -0.00043421612884
                   +0 :              -0.00153253491350
                   +1 :               0.00384133440486
                3d
                   -2 :               0.00007045889229
                   -1 :               0.00018656297127
                   +0 :              -0.00031896754652
                   +1 :               0.00003576891516
                   +2 :               0.00029443727648
              3 vec=    -5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00005657601172
                2s
                   +0 :               0.00053794572010
                3s
                   +0 :              -0.00049061665000
                2p
                   -1 :               0.00000371894680
                   +0 :              -0.00045712776694
                   +1 :               0.00030233539675
                3p
                   -1 :               0.00286955546025
                   +0 :               0.00246408586422
                   +1 :              -0.00105124639359
                3d
                   -2 :              -0.00013169229295
                   -1 :              -0.00023055991910
                   +0 :               0.00027949139105
                   +1 :              -0.00021161619777
                   +2 :               0.00042362684010
              4 vec=     2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00166507022583
                2s
                   +0 :               0.01626845692018
                3s
                   +0 :              -0.00195955284841
                2p
                   -1 :               0.01395011347343
                   +0 :              -0.00467940646703
                   +1 :               0.00319099001187
                3p
                   -1 :              -0.00374046171131
                   +0 :               0.00077592750773
                   +1 :               0.00163337822881
                3d
                   -2 :               0.00097192247935
                   -1 :              -0.00035622941470
                   +0 :              -0.00052583484921
                   +1 :              -0.00003557188171
                   +2 :              -0.00013700010767
              5 vec=     2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00028066511500
                2s
                   +0 :               0.00307519846881
                3s
                   +0 :              -0.00039992783724
                2p
                   -1 :              -0.00084431977723
                   +0 :               0.00071563239501
                   +1 :               0.00074773163111
                3p
                   -1 :               0.00054134182649
                   +0 :               0.00024979494550
                   +1 :              -0.00061175239045
                3d
                   -2 :              -0.00007094133095
                   -1 :              -0.00008694886650
                   +0 :               0.00004136653414
                   +1 :               0.00000014543212
                   +2 :              -0.00002157977212
              6 vec=    10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00021762187541
                2s
                   +0 :              -0.00229063127188
                3s
                   +0 :               0.00014025768096
                2p
                   -1 :              -0.00116389690354
                   +0 :              -0.00039990562488
                   +1 :              -0.00014913358319
                3p
                   -1 :              -0.00024402822051
                   +0 :              -0.00050724739672
                   +1 :               0.00031592647744
                3d
                   -2 :              -0.00002355057929
                   -1 :              -0.00016464998221
                   +0 :              -0.00005833164920
                   +1 :              -0.00003391654285
                   +2 :               0.00000415311762
              7 vec=    10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :               0.00002850781055
                2s
                   +0 :              -0.00104887060791
                3s
                   +0 :              -0.00043030376803
                2p
                   -1 :               0.00041189184283
                   +0 :              -0.00042373092926
                   +1 :               0.00115751716819
                3p
                   -1 :               0.00045472016362
                   +0 :               0.00043502881399
                   +1 :              -0.00087882527226
                3d
                   -2 :               0.00001618717697
                   -1 :              -0.00006983600983
                   +0 :               0.00005103926437
                   +1 :              -0.00004948659161
                   +2 :               0.00007087001226
              8 vec=   -13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00035460461727
                2s
                   +0 :              -0.00382356513984
                3s
                   +0 :               0.00062599305151
                2p
                   -1 :              -0.00023550112896
                   +0 :               0.00008950080159
                   +1 :               0.00273621458926
                3p
                   -1 :               0.00007029252687
                   +0 :              -0.00004677577865
                   +1 :              -0.00042508253194
                3d
                   -2 :               0.00002444460846
                   -1 :              -0.00003179495266
                   +0 :               0.00005373136691
                   +1 :               0.00001339424468
                   +2 :              -0.00010846327866
              9 vec=    -5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00044038667436
                2s
                   +0 :               0.00441253846710
                3s
                   +0 :              -0.00097267354765
                2p
                   -1 :               0.00306143821758
                   +0 :              -0.00126240609468
                   +1 :              -0.00230640305733
                3p
                   -1 :              -0.00118869442051
                   +0 :               0.00018580920204
                   +1 :               0.00028400133899
                3d
                   -2 :              -0.00013958031322
                   -1 :               0.00002583441022
                   +0 :              -0.00005232999885
                   +1 :              -0.00000423466716
                   +2 :               0.00001586043502
             10 vec=   -13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :               0.00008585253572
                2s
                   +0 :              -0.00071354839596
                3s
                   +0 :               0.00020756826382
                2p
                   -1 :               0.00024028102925
                   +0 :              -0.00000308145499
                   +1 :               0.00007935639265
                3p
                   -1 :              -0.00032306773698
                   +0 :              -0.00009792726048
                   +1 :              -0.00000079007275
                3d
                   -2 :              -0.00001064987229
                   -1 :              -0.00000279958386
                   +0 :              -0.00002185806342
                   +1 :              -0.00000519051740
                   +2 :               0.00001098318816
             11 vec=    -5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00015201608681
                2s
                   +0 :               0.00151342186180
                3s
                   +0 :              -0.00020111709334
                2p
                   -1 :              -0.00068040157884
                   +0 :               0.00062514306831
                   +1 :              -0.00052265035661
                3p
                   -1 :               0.00038634088403
                   +0 :              -0.00011755066833
                   +1 :               0.00021212544398
                3d
                   -2 :               0.00003305043499
                   -1 :              -0.00000831494402
                   +0 :               0.00003709455928
                   +1 :               0.00000661625925
                   +2 :              -0.00002490741507
             12 vec=    10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00002312682157
                2s
                   +0 :              -0.00002357039407
                3s
                   +0 :               0.00003956559213
                2p
                   -1 :              -0.00049463024709
                   +0 :              -0.00015952985092
                   +1 :               0.00062533679847
                3p
                   -1 :               0.00003759469892
                   +0 :              -0.00004407466763
                   +1 :              -0.00025943353144
                3d
                   -2 :              -0.00003709179341
                   -1 :              -0.00001052941381
                   +0 :              -0.00000405049232
                   +1 :              -0.00000911179685
                   +2 :               0.00002558447334
             13 vec=   -13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00000141641721
                2s
                   +0 :              -0.00002576923910
                3s
                   +0 :              -0.00001960903201
                2p
                   -1 :               0.00025168892551
                   +0 :               0.00008475539128
                   +1 :              -0.00003582421144
                3p
                   -1 :              -0.00006156544060
                   +0 :               0.00006570865551
                   +1 :               0.00000561619134
                3d
                   -2 :               0.00000087562374
                   -1 :              -0.00001319092859
                   +0 :               0.00000559431453
                   +1 :               0.00000062253580
                   +2 :              -0.00000504097835
             14 vec=     2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00009831166782
                2s
                   +0 :               0.00096351269375
                3s
                   +0 :              -0.00022932184837
                2p
                   -1 :               0.00060015973589
                   +0 :              -0.00021839651898
                   +1 :              -0.00019639846920
                3p
                   -1 :              -0.00019289813571
                   +0 :              -0.00003545754150
                   +1 :               0.00008163092169
                3d
                   -2 :              -0.00000160643386
                   -1 :               0.00001075609318
                   +0 :              -0.00000698485448
                   +1 :               0.00000846435098
                   +2 :               0.00001810278645
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 14)  npairs=  14
              1 vec=    -2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :               0.00848990921459
                2s
                   +0 :              -0.10169109380196
                3s
                   +0 :               0.01461920268249
                2p
                   -1 :              -0.00640465141879
                   +0 :              -0.01278579051887
                   +1 :               0.01334922060018
                3p
                   -1 :              -0.00575483663096
                   +0 :               0.00790775844865
                   +1 :              -0.00144423232211
                3d
                   -2 :               0.00074756048162
                   -1 :              -0.00016464879094
                   +0 :              -0.00042980999338
                   +1 :               0.00728088342697
                   +2 :              -0.00686201517720
              2 vec=     5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :               0.00027436062615
                2s
                   +0 :              -0.00155463792143
                3s
                   +0 :              -0.00017424609697
                2p
                   -1 :              -0.00930904739731
                   +0 :              -0.00384884253511
                   +1 :               0.00766305604338
                3p
                   -1 :               0.00272492931516
                   +0 :               0.00208260517300
                   +1 :              -0.00174161079700
                3d
                   -2 :              -0.00016941774568
                   -1 :               0.00023301831078
                   +0 :              -0.00022238398731
                   +1 :              -0.00011685714886
                   +2 :               0.00024853259974
              3 vec=    -2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00163742801966
                2s
                   +0 :               0.01363529903261
                3s
                   +0 :              -0.00122908551428
                2p
                   -1 :               0.01196481981176
                   +0 :              -0.00025980427183
                   +1 :               0.00007137820930
                3p
                   -1 :              -0.00216722292985
                   +0 :              -0.00325409069492
                   +1 :              -0.00483798159564
                3d
                   -2 :              -0.00111722471410
                   -1 :              -0.00072251845519
                   +0 :              -0.00049895046673
                   +1 :               0.00031040386047
                   +2 :              -0.00022454051249
              4 vec=     5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00034746211614
                2s
                   +0 :              -0.00298221089703
                3s
                   +0 :               0.00034455462821
                2p
                   -1 :               0.00301233210774
                   +0 :               0.00061649118115
                   +1 :              -0.00075288111960
                3p
                   -1 :               0.00044762401139
                   +0 :               0.00117586651809
                   +1 :               0.00150385845831
                3d
                   -2 :               0.00009960415777
                   -1 :              -0.00014171772942
                   +0 :               0.00019136476694
                   +1 :               0.00027010666762
                   +2 :               0.00048509989476
              5 vec=   -10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00019992455383
                2s
                   +0 :              -0.00201734058131
                3s
                   +0 :               0.00038197010832
                2p
                   -1 :              -0.00135027273447
                   +0 :              -0.00039178073783
                   +1 :              -0.00035373616609
                3p
                   -1 :               0.00009467456298
                   +0 :              -0.00042272210101
                   +1 :              -0.00020839105213
                3d
                   -2 :              -0.00007727794987
                   -1 :              -0.00008449783050
                   +0 :              -0.00005673561805
                   +1 :               0.00012755716466
                   +2 :               0.00003746119439
              6 vec=    -2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00034533867789
                2s
                   +0 :               0.00362995750771
                3s
                   +0 :              -0.00004677883029
                2p
                   -1 :              -0.00053941042397
                   +0 :               0.00082805795453
                   +1 :              -0.00178856581117
                3p
                   -1 :              -0.00067496063950
                   +0 :               0.00101652454048
                   +1 :               0.00197215215503
                3d
                   -2 :              -0.00002290483078
                   -1 :              -0.00021071515638
                   +0 :               0.00004912761178
                   +1 :               0.00030913162997
                   +2 :              -0.00019326077251
              7 vec=   -10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :               0.00008299352047
                2s
                   +0 :              -0.00107137815037
                3s
                   +0 :              -0.00021465092623
                2p
                   -1 :               0.00103921566533
                   +0 :              -0.00002537200483
                   +1 :              -0.00154337833927
                3p
                   -1 :               0.00010221859347
                   +0 :              -0.00006118518654
                   +1 :               0.00116072657318
                3d
                   -2 :              -0.00001297360260
                   -1 :               0.00010621584429
                   +0 :               0.00006682410109
                   +1 :               0.00003415415429
                   +2 :               0.00004405721828
              8 vec=     5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00042817996073
                2s
                   +0 :               0.00457628405378
                3s
                   +0 :              -0.00065989166724
                2p
                   -1 :               0.00270646562047
                   +0 :              -0.00087112732065
                   +1 :               0.00269914324183
                3p
                   -1 :              -0.00036722283559
                   +0 :               0.00017583207622
                   +1 :              -0.00047937379680
                3d
                   -2 :               0.00017247102916
                   -1 :               0.00000266019619
                   +0 :              -0.00008147474351
                   +1 :               0.00008795611965
                   +2 :              -0.00006153007878
              9 vec=    13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00047082888704
                2s
                   +0 :              -0.00461810261453
                3s
                   +0 :               0.00073697022629
                2p
                   -1 :               0.00012609562955
                   +0 :               0.00056927443604
                   +1 :              -0.00295802824173
                3p
                   -1 :              -0.00013176643036
                   +0 :              -0.00053544414845
                   +1 :               0.00040209031691
                3d
                   -2 :              -0.00001316650139
                   -1 :               0.00007901206006
                   +0 :               0.00002382084840
                   +1 :              -0.00007182878212
                   +2 :              -0.00008787637539
             10 vec=    13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :               0.00007748077044
                2s
                   +0 :              -0.00070188858801
                3s
                   +0 :               0.00015141837904
                2p
                   -1 :               0.00003092472124
                   +0 :              -0.00003956632288
                   +1 :               0.00021916606981
                3p
                   -1 :              -0.00020511052153
                   +0 :              -0.00010609365616
                   +1 :              -0.00024911585296
                3d
                   -2 :               0.00000644168132
                   -1 :               0.00000757830278
                   +0 :              -0.00000786602010
                   +1 :              -0.00000648510568
                   +2 :              -0.00000540952568
             11 vec=   -10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00003704599378
                2s
                   +0 :              -0.00023755797228
                3s
                   +0 :               0.00006524572711
                2p
                   -1 :              -0.00077217484645
                   +0 :              -0.00029643953131
                   +1 :              -0.00029090351222
                3p
                   -1 :               0.00030617143802
                   +0 :               0.00001675242425
                   +1 :               0.00000621065692
                3d
                   -2 :               0.00003106401920
                   -1 :              -0.00000850333437
                   +0 :              -0.00002069353222
                   +1 :               0.00001852245645
                   +2 :               0.00001985794852
             12 vec=     5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00008933633853
                2s
                   +0 :               0.00082937128788
                3s
                   +0 :              -0.00009485043000
                2p
                   -1 :               0.00005551580146
                   +0 :               0.00037518181253
                   +1 :               0.00025414730389
                3p
                   -1 :              -0.00015678386952
                   +0 :               0.00004084228941
                   +1 :               0.00004184125179
                3d
                   -2 :              -0.00003432958720
                   -1 :              -0.00003135083132
                   +0 :               0.00002248611968
                   +1 :               0.00000625385883
                   +2 :              -0.00001057160148
             13 vec=    -2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00007114015816
                2s
                   +0 :               0.00072354297810
                3s
                   +0 :              -0.00011004129284
                2p
                   -1 :               0.00047099120809
                   +0 :              -0.00017204979448
                   +1 :               0.00001692321531
                3p
                   -1 :              -0.00010393006603
                   +0 :              -0.00006600419639
                   +1 :               0.00002501730470
                3d
                   -2 :               0.00001439925230
                   -1 :              -0.00001552460175
                   +0 :              -0.00000771931572
                   +1 :               0.00002187945181
                   +2 :               0.00000659391080
             14 vec=    13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00003809499961
                2s
                   +0 :              -0.00040564123656
                3s
                   +0 :               0.00009226821229
                2p
                   -1 :               0.00011068878229
                   +0 :               0.00007325448856
                   +1 :              -0.00012337303496
                3p
                   -1 :               0.00002506058408
                   +0 :               0.00003578947732
                   +1 :               0.00004760228619
                3d
                   -2 :              -0.00000362158551
                   -1 :               0.00000955672589
                   +0 :               0.00000342223719
                   +1 :              -0.00000235442121
                   +2 :               0.00000509941836
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 15)  npairs=  14
              1 vec=     0.000000      2.752623      2.510723   |vec|=    3.725676
                1s
                   +0 :              -0.01448093768147
                2s
                   +0 :               0.17906734533483
                3s
                   +0 :              -0.02112712941573
                2p
                   -1 :               0.02403015427077
                   +0 :               0.02832411848791
                   +1 :              -0.00248619332224
                3p
                   -1 :              -0.01370955167278
                   +0 :              -0.01950752872832
                   +1 :               0.00187425552068
                3d
                   -2 :               0.00072276546740
                   -1 :               0.01246146506468
                   +0 :               0.00071368152786
                   +1 :              -0.00113243279740
                   +2 :              -0.00562487587173
              2 vec=     0.000000     -6.231135      2.510723   |vec|=    6.717944
                1s
                   +0 :               0.00030941040899
                2s
                   +0 :              -0.00212281625575
                3s
                   +0 :               0.00274465919179
                2p
                   -1 :               0.00846994051389
                   +0 :               0.00395100426562
                   +1 :               0.00185405959885
                3p
                   -1 :              -0.00368961577959
                   +0 :              -0.00055007025951
                   +1 :              -0.00168603840483
                3d
                   -2 :              -0.00000972481048
                   -1 :               0.00007761259231
                   +0 :               0.00054135153384
                   +1 :              -0.00008077562101
                   +2 :               0.00006374567585
              3 vec=    -7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00131760810969
                2s
                   +0 :              -0.01328624602315
                3s
                   +0 :               0.00161499822019
                2p
                   -1 :               0.00506573020148
                   +0 :               0.00406291528588
                   +1 :               0.01069145096986
                3p
                   -1 :              -0.00175858626150
                   +0 :              -0.00195179402582
                   +1 :              -0.00205837028552
                3d
                   -2 :              -0.00000299108723
                   -1 :               0.00001575181705
                   +0 :               0.00033447008227
                   +1 :              -0.00006850517590
                   +2 :              -0.00058139993312
              4 vec=     7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00158085200795
                2s
                   +0 :              -0.01417324475271
                3s
                   +0 :               0.00171970216428
                2p
                   -1 :               0.00578425458776
                   +0 :               0.00071693203877
                   +1 :              -0.01017176040326
                3p
                   -1 :              -0.00292824261719
                   +0 :               0.00079000483070
                   +1 :               0.00141736404444
                3d
                   -2 :              -0.00006312911028
                   -1 :              -0.00002445655543
                   +0 :               0.00021945907569
                   +1 :               0.00047544242121
                   +2 :              -0.00075395294916
              5 vec=    -7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00012771680249
                2s
                   +0 :              -0.00133932623583
                3s
                   +0 :              -0.00009347885067
                2p
                   -1 :              -0.00227144362097
                   +0 :              -0.00042815232966
                   +1 :              -0.00150967085281
                3p
                   -1 :               0.00097483908119
                   +0 :              -0.00050927714377
                   +1 :               0.00151723773840
                3d
                   -2 :               0.00014773773888
                   -1 :               0.00010940586308
                   +0 :               0.00000920403742
                   +1 :               0.00017750115462
                   +2 :              -0.00009399459283
              6 vec=     7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00008074056117
                2s
                   +0 :              -0.00105785788749
                3s
                   +0 :               0.00001795772891
                2p
                   -1 :              -0.00205119534968
                   +0 :              -0.00032385165718
                   +1 :               0.00063516584660
                3p
                   -1 :               0.00066732936062
                   +0 :               0.00017292715551
                   +1 :              -0.00002324652405
                3d
                   -2 :              -0.00012524061727
                   -1 :               0.00002461844862
                   +0 :               0.00001536908391
                   +1 :               0.00006172863895
                   +2 :               0.00000245303817
              7 vec=     0.000000     11.736381      2.510723   |vec|=   12.001932
                1s
                   +0 :              -0.00011150133103
                2s
                   +0 :               0.00212024875828
                3s
                   +0 :               0.00064495469426
                2p
                   -1 :              -0.00161349036835
                   +0 :               0.00044910293409
                   +1 :              -0.00073620895222
                3p
                   -1 :               0.00204477308903
                   +0 :              -0.00037384362745
                   +1 :               0.00044622596508
                3d
                   -2 :               0.00002482734792
                   -1 :               0.00009062492798
                   +0 :              -0.00011786336545
                   +1 :              -0.00016013159672
                   +2 :               0.00003220963937
              8 vec=    -7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00003044221268
                2s
                   +0 :               0.00020556414743
                3s
                   +0 :               0.00023570332136
                2p
                   -1 :               0.00102944296014
                   +0 :               0.00069313165864
                   +1 :              -0.00009013439949
                3p
                   -1 :              -0.00055796237064
                   +0 :               0.00034963494641
                   +1 :              -0.00057228066149
                3d
                   -2 :               0.00001346530581
                   -1 :              -0.00000611498556
                   +0 :               0.00002850915044
                   +1 :              -0.00008408492032
                   +2 :               0.00007346960224
              9 vec=     7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00007357534347
                2s
                   +0 :              -0.00075271891394
                3s
                   +0 :               0.00003389861573
                2p
                   -1 :               0.00120337751713
                   +0 :               0.00078162651905
                   +1 :               0.00016986097345
                3p
                   -1 :              -0.00019548276893
                   +0 :              -0.00012905629757
                   +1 :              -0.00007332874593
                3d
                   -2 :               0.00005781247543
                   -1 :               0.00005000509964
                   +0 :               0.00002774337661
                   +1 :               0.00002083614797
                   +2 :               0.00004319796203
             10 vec=     0.000000    -15.214893      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00016333330616
                2s
                   +0 :               0.00141543698396
                3s
                   +0 :              -0.00035898664286
                2p
                   -1 :               0.00025668160735
                   +0 :               0.00004264777787
                   +1 :               0.00033056911241
                3p
                   -1 :              -0.00047914556333
                   +0 :               0.00020402091663
                   +1 :              -0.00022710690799
                3d
                   -2 :               0.00001209241114
                   -1 :               0.00000126821312
                   +0 :               0.00002972408351
                   +1 :              -0.00001482532501
                   +2 :               0.00001758855086
             11 vec=   -15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00006620951696
                2s
                   +0 :              -0.00080580089382
                3s
                   +0 :               0.00005528483787
                2p
                   -1 :              -0.00054101675474
                   +0 :              -0.00021565196161
                   +1 :              -0.00003669840266
                3p
                   -1 :               0.00020131703049
                   +0 :               0.00000323237822
                   +1 :               0.00005954063839
                3d
                   -2 :              -0.00000439861101
                   -1 :              -0.00000763307440
                   +0 :              -0.00001843562736
                   +1 :               0.00001660290750
                   +2 :               0.00000989857668
             12 vec=    15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00011497009304
                2s
                   +0 :              -0.00127586388952
                3s
                   +0 :               0.00013587136623
                2p
                   -1 :              -0.00052558955815
                   +0 :              -0.00032870353700
                   +1 :              -0.00032729895328
                3p
                   -1 :               0.00016792872442
                   +0 :               0.00010079824408
                   +1 :               0.00017859682729
                3d
                   -2 :              -0.00000671071499
                   -1 :               0.00000190193004
                   +0 :              -0.00001640102707
                   +1 :               0.00001273250867
                   +2 :              -0.00000424501981
             13 vec=   -15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00006021666820
                2s
                   +0 :              -0.00055787145720
                3s
                   +0 :               0.00013705363608
                2p
                   -1 :               0.00041866614026
                   +0 :               0.00014514203043
                   +1 :               0.00026400852815
                3p
                   -1 :              -0.00011338843861
                   +0 :              -0.00000033193582
                   +1 :              -0.00012414118438
                3d
                   -2 :               0.00000864723742
                   -1 :               0.00000078707798
                   +0 :               0.00000356261729
                   +1 :               0.00000409364743
                   +2 :               0.00000985592988
             14 vec=    15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00006972374095
                2s
                   +0 :              -0.00069777373900
                3s
                   +0 :               0.00012965032485
                2p
                   -1 :               0.00040702067835
                   +0 :               0.00008729440320
                   +1 :              -0.00019937184589
                3p
                   -1 :              -0.00006594589628
                   +0 :               0.00000029554088
                   +1 :               0.00005200558986
                3d
                   -2 :              -0.00000243867156
                   -1 :               0.00000405126410
                   +0 :               0.00000212500120
                   +1 :               0.00001327201405
                   +2 :               0.00001248827211
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 16)  npairs=  13
              1 vec=    -2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :               0.00003489851632
                2s
                   +0 :              -0.00093618130087
                3s
                   +0 :              -0.00032179407347
                2p
                   -1 :               0.00169369766850
                   +0 :              -0.00101447709188
                   +1 :              -0.00276604358337
                3p
                   -1 :              -0.00080736906951
                   +0 :               0.00139483875987
                   +1 :               0.00113148446644
                3d
                   -2 :              -0.00006271587881
                   -1 :               0.00001476543793
                   +0 :              -0.00012118050494
                   +1 :              -0.00001618136552
                   +2 :              -0.00009077308566
              2 vec=     5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :               0.00011013515936
                2s
                   +0 :              -0.00060466246670
                3s
                   +0 :               0.00017169380222
                2p
                   -1 :               0.00048636373576
                   +0 :              -0.00058751193525
                   +1 :               0.00126496291069
                3p
                   -1 :               0.00033898665964
                   +0 :               0.00077794643491
                   +1 :              -0.00078296605800
                3d
                   -2 :               0.00005761556956
                   -1 :              -0.00002386940926
                   +0 :              -0.00003207321066
                   +1 :               0.00005405242068
                   +2 :              -0.00002309170526
              3 vec=    -2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00046519895667
                2s
                   +0 :               0.00522024513299
                3s
                   +0 :              -0.00033297207491
                2p
                   -1 :              -0.00046762592804
                   +0 :              -0.00191669706458
                   +1 :              -0.00151954578654
                3p
                   -1 :              -0.00010457131294
                   +0 :              -0.00021243131428
                   +1 :              -0.00014175343707
                3d
                   -2 :               0.00016529660267
                   -1 :               0.00013886504744
                   +0 :               0.00004543089829
                   +1 :               0.00025911735786
                   +2 :               0.00005694600727
              4 vec=     5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00039571020196
                2s
                   +0 :              -0.00428343817235
                3s
                   +0 :               0.00073668332763
                2p
                   -1 :              -0.00094050974494
                   +0 :               0.00174493569695
                   +1 :               0.00007275348190
                3p
                   -1 :               0.00009284054649
                   +0 :              -0.00047781601347
                   +1 :              -0.00008938600893
                3d
                   -2 :              -0.00002167238544
                   -1 :               0.00007349647881
                   +0 :              -0.00004758863920
                   +1 :              -0.00003971848272
                   +2 :               0.00010092934908
              5 vec=   -10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00005378614577
                2s
                   +0 :              -0.00043683353600
                3s
                   +0 :               0.00014333019877
                2p
                   -1 :               0.00055254810518
                   +0 :               0.00009771467134
                   +1 :               0.00002263951042
                3p
                   -1 :              -0.00002006285523
                   +0 :              -0.00003347326907
                   +1 :              -0.00006876467796
                3d
                   -2 :              -0.00000722445545
                   -1 :               0.00000447015362
                   +0 :              -0.00001142787415
                   +1 :               0.00000633062834
                   +2 :               0.00001674156315
              6 vec=    -2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00011138771842
                2s
                   +0 :              -0.00118163150499
                3s
                   +0 :               0.00018474300038
                2p
                   -1 :              -0.00024079321024
                   +0 :               0.00078633575881
                   +1 :              -0.00039752600332
                3p
                   -1 :              -0.00003365210262
                   +0 :              -0.00056644003840
                   +1 :               0.00018421326770
                3d
                   -2 :              -0.00001087167973
                   -1 :              -0.00002584067407
                   +0 :               0.00001459705823
                   +1 :              -0.00000166853416
                   +2 :               0.00001715756631
              7 vec=    -2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :               0.00007204707237
                2s
                   +0 :              -0.00056451808429
                3s
                   +0 :               0.00022372945582
                2p
                   -1 :              -0.00013356610170
                   +0 :              -0.00040366275192
                   +1 :              -0.00013769076057
                3p
                   -1 :               0.00004254045683
                   +0 :               0.00034676294496
                   +1 :              -0.00003246930696
                3d
                   -2 :               0.00000418652438
                   -1 :               0.00000460597012
                   +0 :               0.00002903127609
                   +1 :              -0.00002509903270
                   +2 :              -0.00000926891117
              8 vec=   -10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00007936216976
                2s
                   +0 :              -0.00112199940133
                3s
                   +0 :              -0.00000713538717
                2p
                   -1 :              -0.00017276174327
                   +0 :               0.00046682328024
                   +1 :               0.00020296383515
                3p
                   -1 :               0.00001408312904
                   +0 :               0.00000114016398
                   +1 :               0.00008017665704
                3d
                   -2 :              -0.00002036012661
                   -1 :              -0.00002057615639
                   +0 :              -0.00001553089846
                   +1 :              -0.00003765748666
                   +2 :               0.00000777982528
              9 vec=     5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :              -0.00001787541169
                2s
                   +0 :               0.00006062744116
                3s
                   +0 :              -0.00011057266488
                2p
                   -1 :               0.00019937346498
                   +0 :              -0.00020795092725
                   +1 :               0.00026850025097
                3p
                   -1 :              -0.00023476309227
                   +0 :               0.00010402467352
                   +1 :              -0.00005860010458
                3d
                   -2 :              -0.00000670161186
                   -1 :              -0.00000155383081
                   +0 :               0.00000397446086
                   +1 :               0.00001030673226
                   +2 :               0.00001662822841
             10 vec=     5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00020953140530
                2s
                   +0 :               0.00216438989714
                3s
                   +0 :              -0.00035737497813
                2p
                   -1 :              -0.00054413384326
                   +0 :              -0.00012303523170
                   +1 :               0.00063335652686
                3p
                   -1 :               0.00001810636262
                   +0 :               0.00012847505634
                   +1 :              -0.00005791443687
                3d
                   -2 :              -0.00003012524864
                   -1 :              -0.00000937172580
                   +0 :              -0.00001982840138
                   +1 :               0.00001694859181
                   +2 :              -0.00001631881451
             11 vec=    13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00009985362441
                2s
                   +0 :              -0.00101115522730
                3s
                   +0 :               0.00012410244648
                2p
                   -1 :               0.00011270660822
                   +0 :               0.00018040128684
                   +1 :              -0.00042110669792
                3p
                   -1 :               0.00001488976888
                   +0 :               0.00002671271345
                   +1 :               0.00013318659100
                3d
                   -2 :              -0.00000234598885
                   -1 :              -0.00001262120118
                   +0 :              -0.00000944451354
                   +1 :              -0.00000427260303
                   +2 :              -0.00000940167515
             12 vec=    -2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00014571393804
                2s
                   +0 :              -0.00121305217967
                3s
                   +0 :               0.00028836573511
                2p
                   -1 :               0.00019079133965
                   +0 :              -0.00037126062418
                   +1 :               0.00004049032309
                3p
                   -1 :              -0.00012043874693
                   +0 :               0.00011595866904
                   +1 :              -0.00019561743811
                3d
                   -2 :              -0.00000140624101
                   -1 :              -0.00000309134120
                   +0 :              -0.00001488724379
                   +1 :              -0.00003503077037
                   +2 :              -0.00001113230979
             13 vec=     5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00023498659224
                2s
                   +0 :               0.00225343825808
                3s
                   +0 :              -0.00042810563067
                2p
                   -1 :              -0.00089309737078
                   +0 :               0.00119905262295
                   +1 :               0.00040918701363
                3p
                   -1 :               0.00046463786103
                   +0 :              -0.00037947862481
                   +1 :              -0.00006000332214
                3d
                   -2 :              -0.00000695892398
                   -1 :               0.00000644438604
                   +0 :               0.00002602835245
                   +1 :               0.00001978353962
                   +2 :              -0.00000691113219
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 17)  npairs=  13
              1 vec=     2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :               0.00042134293020
                2s
                   +0 :              -0.00337736943057
                3s
                   +0 :               0.00112866900232
                2p
                   -1 :               0.00119563524040
                   +0 :               0.00145432661683
                   +1 :               0.00075763642989
                3p
                   -1 :              -0.00060876942245
                   +0 :              -0.00090941773014
                   +1 :               0.00012935770977
                3d
                   -2 :              -0.00003689472342
                   -1 :               0.00006159983714
                   +0 :               0.00008752151469
                   +1 :              -0.00008105576956
                   +2 :              -0.00007271717976
              2 vec=    -5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :              -0.00020957304294
                2s
                   +0 :               0.00156748514091
                3s
                   +0 :              -0.00049362307966
                2p
                   -1 :               0.00033691711793
                   +0 :              -0.00112519926103
                   +1 :              -0.00053122543559
                3p
                   -1 :               0.00050086487859
                   +0 :               0.00063350612882
                   +1 :               0.00003721286398
                3d
                   -2 :              -0.00002048617064
                   -1 :              -0.00011052333006
                   +0 :              -0.00001070764844
                   +1 :               0.00001101431101
                   +2 :              -0.00000281646644
              3 vec=    -5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00025060311409
                2s
                   +0 :              -0.00295251538160
                3s
                   +0 :               0.00017034375880
                2p
                   -1 :              -0.00092060640434
                   +0 :               0.00144015890313
                   +1 :              -0.00010542889553
                3p
                   -1 :              -0.00012661691905
                   +0 :              -0.00007868887131
                   +1 :              -0.00007063331442
                3d
                   -2 :               0.00000921128874
                   -1 :               0.00019752239789
                   +0 :              -0.00000715823876
                   +1 :              -0.00000319090784
                   +2 :               0.00010420068983
              4 vec=     2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00090702030434
                2s
                   +0 :               0.00961192275486
                3s
                   +0 :              -0.00160225198424
                2p
                   -1 :              -0.00169855129990
                   +0 :              -0.00413611328102
                   +1 :               0.00219922278306
                3p
                   -1 :               0.00053631948585
                   +0 :               0.00122560883089
                   +1 :              -0.00029811352511
                3d
                   -2 :              -0.00018460062963
                   -1 :               0.00006709521446
                   +0 :               0.00008170485277
                   +1 :              -0.00017163290368
                   +2 :               0.00007282393381
              5 vec=     2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00005154156911
                2s
                   +0 :              -0.00065039491375
                3s
                   +0 :               0.00004526859551
                2p
                   -1 :               0.00004837622188
                   +0 :               0.00013357261591
                   +1 :               0.00018789721061
                3p
                   -1 :              -0.00015235499238
                   +0 :              -0.00016539586015
                   +1 :              -0.00004386544205
                3d
                   -2 :               0.00001150961821
                   -1 :              -0.00000496727393
                   +0 :               0.00001735423198
                   +1 :              -0.00000789086938
                   +2 :               0.00000368631175
              6 vec=    10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00000723811183
                2s
                   +0 :              -0.00018048267131
                3s
                   +0 :              -0.00005819110279
                2p
                   -1 :               0.00045112482950
                   +0 :              -0.00017296542807
                   +1 :              -0.00005665457355
                3p
                   -1 :              -0.00004184575722
                   +0 :               0.00026333370976
                   +1 :               0.00006940144571
                3d
                   -2 :               0.00001319789358
                   -1 :              -0.00000355047340
                   +0 :              -0.00002979719654
                   +1 :               0.00001771704849
                   +2 :               0.00001916587477
              7 vec=     2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :              -0.00002637006772
                2s
                   +0 :               0.00018147610460
                3s
                   +0 :              -0.00013003358832
                2p
                   -1 :              -0.00005139907884
                   +0 :               0.00027746589871
                   +1 :              -0.00013905488763
                3p
                   -1 :               0.00002439023288
                   +0 :              -0.00039559996557
                   +1 :               0.00001889404606
                3d
                   -2 :               0.00001629532022
                   -1 :              -0.00000512275496
                   +0 :              -0.00003970628904
                   +1 :              -0.00000579134129
                   +2 :               0.00000372894288
              8 vec=    10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00009630049745
                2s
                   +0 :              -0.00116019939804
                3s
                   +0 :               0.00003921145667
                2p
                   -1 :              -0.00034115633211
                   +0 :               0.00040958288604
                   +1 :              -0.00035827792678
                3p
                   -1 :               0.00004855771913
                   +0 :               0.00000049758007
                   +1 :               0.00013079238098
                3d
                   -2 :               0.00001442344758
                   -1 :               0.00004930841990
                   +0 :              -0.00001341421424
                   +1 :              -0.00000765839758
                   +2 :               0.00002360844548
              9 vec=    -5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :               0.00001551283100
                2s
                   +0 :              -0.00027651628108
                3s
                   +0 :              -0.00006177509016
                2p
                   -1 :              -0.00002576459048
                   +0 :              -0.00017995046532
                   +1 :              -0.00017227214344
                3p
                   -1 :               0.00005140471740
                   +0 :              -0.00000234793459
                   +1 :              -0.00000093679486
                3d
                   -2 :               0.00000941674547
                   -1 :               0.00001305781215
                   +0 :               0.00001513681345
                   +1 :              -0.00001300589248
                   +2 :              -0.00000777415625
             10 vec=   -13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00009771324636
                2s
                   +0 :              -0.00108070770899
                3s
                   +0 :               0.00015236044083
                2p
                   -1 :               0.00013653911152
                   +0 :               0.00017042610024
                   +1 :               0.00036993890477
                3p
                   -1 :              -0.00000352192913
                   +0 :              -0.00010983570150
                   +1 :               0.00002720209912
                3d
                   -2 :              -0.00000412485636
                   -1 :               0.00000492643550
                   +0 :               0.00001106579642
                   +1 :               0.00001396218361
                   +2 :              -0.00002515187546
             11 vec=    -5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00021474454762
                2s
                   +0 :               0.00211879490694
                3s
                   +0 :              -0.00032564448918
                2p
                   -1 :              -0.00064646409825
                   +0 :              -0.00036397940306
                   +1 :              -0.00044918998519
                3p
                   -1 :               0.00020237210743
                   +0 :               0.00008756235532
                   +1 :              -0.00003389583160
                3d
                   -2 :               0.00001804981595
                   -1 :              -0.00003568219118
                   +0 :               0.00000206834482
                   +1 :               0.00002736405429
                   +2 :              -0.00001423255766
             12 vec=    -5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00014435663049
                2s
                   +0 :               0.00123626411398
                3s
                   +0 :              -0.00019278704964
                2p
                   -1 :              -0.00028137693816
                   +0 :               0.00020589924190
                   +1 :              -0.00061473235581
                3p
                   -1 :              -0.00018246958437
                   +0 :               0.00028979634074
                   +1 :               0.00014826501697
                3d
                   -2 :              -0.00000169507972
                   -1 :              -0.00003071294504
                   +0 :               0.00006466345623
                   +1 :              -0.00001699423168
                   +2 :               0.00001036169340
             13 vec=     2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00012227424898
                2s
                   +0 :              -0.00107725073549
                3s
                   +0 :               0.00025770659154
                2p
                   -1 :              -0.00032722439589
                   +0 :              -0.00033102604764
                   +1 :               0.00025879147924
                3p
                   -1 :               0.00026690771009
                   +0 :               0.00013309360426
                   +1 :              -0.00007307888667
                3d
                   -2 :               0.00000354938913
                   -1 :               0.00000790982472
                   +0 :               0.00000602933985
                   +1 :               0.00001622211600
                   +2 :              -0.00000693519204
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 18)  npairs=  13
              1 vec=     0.000000     -2.752623     -9.763049   |vec|=   10.143671
                1s
                   +0 :              -0.00045624144651
                2s
                   +0 :               0.00431355073144
                3s
                   +0 :              -0.00080687492885
                2p
                   -1 :               0.00449626286075
                   +0 :              -0.00043984952495
                   +1 :              -0.00057286886133
                3p
                   -1 :              -0.00157593647507
                   +0 :              -0.00048542102973
                   +1 :               0.00045842874857
                3d
                   -2 :              -0.00006544217431
                   -1 :              -0.00001800024442
                   +0 :               0.00003365899026
                   +1 :              -0.00008917834703
                   +2 :              -0.00005938335619
              2 vec=     0.000000      6.231135     -9.763049   |vec|=   11.582062
                1s
                   +0 :               0.00009943788357
                2s
                   +0 :              -0.00096282267422
                3s
                   +0 :               0.00032192927744
                2p
                   -1 :              -0.00114390431101
                   +0 :               0.00171271119628
                   +1 :               0.00049629330510
                3p
                   -1 :               0.00113022155120
                   +0 :              -0.00141145256373
                   +1 :              -0.00051306724694
                3d
                   -2 :               0.00000100582757
                   -1 :              -0.00010446846597
                   +0 :               0.00004278085910
                   +1 :               0.00010757786260
                   +2 :              -0.00008059217695
              3 vec=    -7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00051131010238
                2s
                   +0 :              -0.00532848458251
                3s
                   +0 :               0.00086556865661
                2p
                   -1 :               0.00052204591276
                   +0 :               0.00239117758407
                   +1 :               0.00179247137621
                3p
                   -1 :               0.00013381668469
                   +0 :              -0.00074779281742
                   +1 :              -0.00057781379456
                3d
                   -2 :              -0.00007879650393
                   -1 :              -0.00004394539304
                   +0 :              -0.00003411621358
                   +1 :              -0.00010013203566
                   +2 :              -0.00005422335701
              4 vec=     7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00021459584258
                2s
                   +0 :              -0.00226772975139
                3s
                   +0 :               0.00016262831611
                2p
                   -1 :               0.00053054498535
                   +0 :               0.00047653816145
                   +1 :              -0.00042019474114
                3p
                   -1 :              -0.00005400228306
                   +0 :               0.00029112018559
                   +1 :              -0.00008710132081
                3d
                   -2 :               0.00004633019016
                   -1 :              -0.00005897189905
                   +0 :              -0.00003827265953
                   +1 :               0.00007716446940
                   +2 :              -0.00005460049847
              5 vec=    -7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00011862583025
                2s
                   +0 :               0.00136211417630
                3s
                   +0 :              -0.00012655189759
                2p
                   -1 :               0.00040036912724
                   +0 :              -0.00061337033074
                   +1 :              -0.00082630888818
                3p
                   -1 :              -0.00013717888442
                   +0 :               0.00030310632864
                   +1 :               0.00013390326974
                3d
                   -2 :              -0.00000057613922
                   -1 :               0.00000209283330
                   +0 :               0.00001520013831
                   +1 :              -0.00001127962287
                   +2 :               0.00003900658248
              6 vec=     7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00010532771488
                2s
                   +0 :               0.00108722844975
                3s
                   +0 :              -0.00018859879428
                2p
                   -1 :               0.00044357953007
                   +0 :              -0.00023128728726
                   +1 :               0.00054189401933
                3p
                   -1 :              -0.00006464555297
                   +0 :               0.00019886912922
                   +1 :               0.00005825329149
                3d
                   -2 :               0.00001344876074
                   -1 :              -0.00001256473845
                   +0 :              -0.00000592635783
                   +1 :               0.00000739293148
                   +2 :               0.00002643812115
              7 vec=     0.000000     -2.752623     14.784494   |vec|=   15.038557
                1s
                   +0 :              -0.00004567700464
                2s
                   +0 :               0.00038304197968
                3s
                   +0 :              -0.00009369586751
                2p
                   -1 :              -0.00009366395896
                   +0 :               0.00012619685320
                   +1 :              -0.00020953155325
                3p
                   -1 :               0.00007794731339
                   +0 :               0.00004883702061
                   +1 :               0.00000893092458
                3d
                   -2 :              -0.00000101554949
                   -1 :               0.00001646255884
                   +0 :               0.00001067501295
                   +1 :              -0.00000701986392
                   +2 :               0.00000771654066
              8 vec=     0.000000    -11.736381     -9.763049   |vec|=   15.266295
                1s
                   +0 :              -0.00017566266721
                2s
                   +0 :               0.00228219879937
                3s
                   +0 :              -0.00003207606950
                2p
                   -1 :              -0.00074300866119
                   +0 :              -0.00087640616628
                   +1 :               0.00006817694598
                3p
                   -1 :               0.00007515492685
                   +0 :              -0.00000163774405
                   +1 :               0.00007562864821
                3d
                   -2 :              -0.00001667632671
                   -1 :               0.00004034610499
                   +0 :               0.00002894511270
                   +1 :              -0.00008317976052
                   +2 :               0.00004581759425
              9 vec=     0.000000      6.231135     14.784494   |vec|=   16.043949
                1s
                   +0 :               0.00000236258070
                2s
                   +0 :               0.00021588883992
                3s
                   +0 :               0.00017234775504
                2p
                   -1 :              -0.00029491565360
                   +0 :               0.00038790139257
                   +1 :               0.00024308932915
                3p
                   -1 :              -0.00004174129636
                   +0 :              -0.00010167673893
                   +1 :              -0.00027759704264
                3d
                   -2 :               0.00002249065183
                   -1 :              -0.00001443733458
                   +0 :              -0.00001911127431
                   +1 :              -0.00001400363411
                   +2 :               0.00001838594299
             10 vec=    -7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00011489092321
                2s
                   +0 :              -0.00110763967964
                3s
                   +0 :               0.00020154204270
                2p
                   -1 :              -0.00029119958522
                   +0 :               0.00018357811623
                   +1 :               0.00022231277605
                3p
                   -1 :              -0.00003606668435
                   +0 :              -0.00011427506876
                   +1 :              -0.00011271908824
                3d
                   -2 :               0.00001203558053
                   -1 :               0.00000324645275
                   +0 :               0.00000737616872
                   +1 :               0.00003151712882
                   +2 :               0.00000584616868
             11 vec=     7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00011181815894
                2s
                   +0 :              -0.00108368218814
                3s
                   +0 :               0.00020501453729
                2p
                   -1 :              -0.00043192371840
                   +0 :              -0.00004739086854
                   +1 :              -0.00008783235470
                3p
                   -1 :               0.00008100529919
                   +0 :              -0.00001863935484
                   +1 :               0.00000337448122
                3d
                   -2 :              -0.00000947539732
                   -1 :              -0.00000480895052
                   +0 :               0.00000876260496
                   +1 :               0.00000307281679
                   +2 :               0.00000178165524
             12 vec=    -7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00011271234326
                2s
                   +0 :              -0.00117618752259
                3s
                   +0 :               0.00017039903912
                2p
                   -1 :              -0.00074040723674
                   +0 :              -0.00086802657531
                   +1 :              -0.00015607112514
                3p
                   -1 :               0.00035444901451
                   +0 :               0.00024638502056
                   +1 :               0.00010469822940
                3d
                   -2 :              -0.00000168393099
                   -1 :               0.00000409282205
                   +0 :              -0.00003205769230
                   +1 :               0.00001673372070
                   +2 :               0.00000217730399
             13 vec=     7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00000135730755
                2s
                   +0 :              -0.00002321193431
                3s
                   +0 :              -0.00009557868547
                2p
                   -1 :              -0.00061273228432
                   +0 :               0.00016536138227
                   +1 :               0.00012178870708
                3p
                   -1 :               0.00014635677637
                   +0 :              -0.00040575500979
                   +1 :               0.00003004407047
                3d
                   -2 :              -0.00002016501316
                   -1 :              -0.00000128204242
                   +0 :              -0.00004977621244
                   +1 :              -0.00000209149040
                   +2 :              -0.00000063544986
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 19)  npairs=  15
              1 vec=    -0.209286      3.115418     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00007702609948
                2s
                   +0 :              -0.00019913188047
                3s
                   +0 :               0.00015565712831
                2p
                   -1 :              -0.00284787243756
                   +0 :              -0.00009200224189
                   +1 :              -0.00042809852594
                3p
                   -1 :               0.00043577695407
                   +0 :              -0.00046615281336
                   +1 :              -0.00007091226313
                3d
                   -2 :              -0.00012784321912
                   -1 :              -0.00014407349122
                   +0 :              -0.00022657600961
                   +1 :              -0.00013733016701
                   +2 :              -0.00010885126723
              2 vec=    -0.209286     -5.868340     10.693237   |vec|=   12.199448
                1s
                   +0 :              -0.00026010749048
                2s
                   +0 :               0.00140328183562
                3s
                   +0 :              -0.00079674505444
                2p
                   -1 :              -0.00164262101558
                   +0 :               0.00137392499957
                   +1 :              -0.00022548369279
                3p
                   -1 :               0.00099637913106
                   +0 :              -0.00128538139630
                   +1 :              -0.00012528842067
                3d
                   -2 :              -0.00001082610921
                   -1 :               0.00002398276075
                   +0 :              -0.00002517580309
                   +1 :              -0.00009385251750
                   +2 :              -0.00001635336343
              3 vec=     7.570876     -1.376461     10.693237   |vec|=   13.174146
                1s
                   +0 :               0.00024564409822
                2s
                   +0 :              -0.00232832549022
                3s
                   +0 :               0.00013170845210
                2p
                   -1 :              -0.00082879986482
                   +0 :              -0.00028992523544
                   +1 :               0.00061379897433
                3p
                   -1 :              -0.00018060681112
                   +0 :              -0.00054412031987
                   +1 :              -0.00064436892338
                3d
                   -2 :              -0.00009475903325
                   -1 :              -0.00015254529771
                   +0 :              -0.00003006811229
                   +1 :              -0.00008548956267
                   +2 :              -0.00000880824919
              4 vec=    -7.989449     -1.376461     10.693237   |vec|=   13.419063
                1s
                   +0 :               0.00040942107705
                2s
                   +0 :              -0.00387214746559
                3s
                   +0 :               0.00060651500558
                2p
                   -1 :              -0.00039101027881
                   +0 :              -0.00063035854333
                   +1 :               0.00007263938048
                3p
                   -1 :              -0.00044051551041
                   +0 :              -0.00040550836333
                   +1 :               0.00027028397404
                3d
                   -2 :               0.00005116597360
                   -1 :              -0.00012542934107
                   +0 :              -0.00004901382466
                   +1 :               0.00003938496427
                   +2 :              -0.00000403360600
              5 vec=    -0.209286      3.115418    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00008634190656
                2s
                   +0 :              -0.00094902313442
                3s
                   +0 :               0.00010652022708
                2p
                   -1 :              -0.00026991792191
                   +0 :               0.00036938744222
                   +1 :              -0.00028925197669
                3p
                   -1 :               0.00021518889865
                   +0 :              -0.00007645858526
                   +1 :               0.00026529115831
                3d
                   -2 :               0.00000447869081
                   -1 :               0.00000007727024
                   +0 :              -0.00002634829569
                   +1 :              -0.00000592717636
                   +2 :               0.00001538443388
              6 vec=    -0.209286     -5.868340    -13.854306   |vec|=   15.047359
                1s
                   +0 :              -0.00019301237045
                2s
                   +0 :               0.00176066359855
                3s
                   +0 :              -0.00038998039594
                2p
                   -1 :               0.00051177904737
                   +0 :              -0.00061584285229
                   +1 :               0.00024522048913
                3p
                   -1 :              -0.00016689979590
                   +0 :               0.00019521107829
                   +1 :              -0.00029982616931
                3d
                   -2 :               0.00000433180013
                   -1 :              -0.00001345511178
                   +0 :              -0.00003912285192
                   +1 :               0.00002416630835
                   +2 :               0.00001053055066
              7 vec=     7.570876      7.607297     10.693237   |vec|=   15.150394
                1s
                   +0 :              -0.00016457675733
                2s
                   +0 :               0.00191536973763
                3s
                   +0 :              -0.00022082841119
                2p
                   -1 :              -0.00057456808517
                   +0 :              -0.00031526038796
                   +1 :               0.00154559885173
                3p
                   -1 :               0.00052858816398
                   +0 :               0.00028064404951
                   +1 :              -0.00043796558127
                3d
                   -2 :               0.00004895791258
                   -1 :               0.00004400004946
                   +0 :              -0.00003461431243
                   +1 :               0.00002144158027
                   +2 :               0.00002480528843
              8 vec=    -7.989449      7.607297     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00013599257666
                2s
                   +0 :               0.00135139800387
                3s
                   +0 :              -0.00026828317184
                2p
                   -1 :              -0.00051690632877
                   +0 :               0.00066464643254
                   +1 :              -0.00099783215096
                3p
                   -1 :               0.00026988030591
                   +0 :              -0.00044268930517
                   +1 :               0.00026009282158
                3d
                   -2 :              -0.00001904022677
                   -1 :               0.00002022424607
                   +0 :               0.00001476578530
                   +1 :               0.00001583719164
                   +2 :               0.00000845401453
              9 vec=     7.570876     -1.376461    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00004859109127
                2s
                   +0 :              -0.00037820347789
                3s
                   +0 :               0.00011569932632
                2p
                   -1 :               0.00014244375162
                   +0 :               0.00022493905404
                   +1 :               0.00004114187571
                3p
                   -1 :               0.00014646216369
                   +0 :              -0.00003785102976
                   +1 :               0.00009794409182
                3d
                   -2 :               0.00001463832704
                   -1 :              -0.00002063236898
                   +0 :               0.00001206218819
                   +1 :              -0.00000282079853
                   +2 :               0.00000756717532
             10 vec=    -7.989449     -1.376461    -13.854306   |vec|=   16.052032
                1s
                   +0 :               0.00001725218935
                2s
                   +0 :              -0.00029956975822
                3s
                   +0 :              -0.00002724948502
                2p
                   -1 :               0.00059123792136
                   +0 :               0.00033332448678
                   +1 :              -0.00018684900980
                3p
                   -1 :              -0.00008896076069
                   +0 :              -0.00001791065234
                   +1 :              -0.00005580393637
                3d
                   -2 :              -0.00000202599231
                   -1 :              -0.00003282507027
                   +0 :              -0.00000572215335
                   +1 :               0.00001303030719
                   +2 :               0.00002607084428
             11 vec=    -0.209286     12.099176     10.693237   |vec|=   16.148658
                1s
                   +0 :              -0.00025779404562
                2s
                   +0 :               0.00240261018613
                3s
                   +0 :              -0.00038366846988
                2p
                   -1 :               0.00121649166124
                   +0 :               0.00047590908386
                   +1 :               0.00013330333904
                3p
                   -1 :              -0.00032473737391
                   +0 :               0.00016898815542
                   +1 :              -0.00012201316569
                3d
                   -2 :               0.00000651186980
                   -1 :               0.00007856767254
                   +0 :               0.00003929750762
                   +1 :               0.00004217448365
                   +2 :              -0.00002281783808
             12 vec=     7.570876    -10.360219     10.693237   |vec|=   16.703222
                1s
                   +0 :               0.00005744507188
                2s
                   +0 :              -0.00070121682743
                3s
                   +0 :               0.00011776604989
                2p
                   -1 :               0.00050957596506
                   +0 :               0.00000124585885
                   +1 :              -0.00030538694410
                3p
                   -1 :              -0.00021561542107
                   +0 :               0.00015209716633
                   +1 :               0.00016712192103
                3d
                   -2 :               0.00001361862528
                   -1 :              -0.00002090147228
                   +0 :               0.00001116664434
                   +1 :               0.00001649765303
                   +2 :               0.00001015251211
             13 vec=    -7.989449    -10.360219     10.693237   |vec|=   16.897064
                1s
                   +0 :               0.00004275280102
                2s
                   +0 :              -0.00044485352402
                3s
                   +0 :               0.00005614832265
                2p
                   -1 :               0.00029565195287
                   +0 :              -0.00000806647599
                   +1 :               0.00002910022202
                3p
                   -1 :              -0.00008621262178
                   +0 :               0.00011690213078
                   +1 :               0.00005135820580
                3d
                   -2 :              -0.00000528914617
                   -1 :              -0.00002223905126
                   +0 :               0.00000671059449
                   +1 :               0.00000197790841
                   +2 :               0.00000757776956
             14 vec=     7.570876      7.607297    -13.854306   |vec|=   17.525151
                1s
                   +0 :               0.00013242843164
                2s
                   +0 :              -0.00137871465257
                3s
                   +0 :               0.00023246538684
                2p
                   -1 :              -0.00006515087960
                   +0 :               0.00054554912957
                   +1 :              -0.00031022129406
                3p
                   -1 :              -0.00001196337339
                   +0 :              -0.00005897570736
                   +1 :               0.00009325680867
                3d
                   -2 :              -0.00001893472576
                   -1 :               0.00000042656257
                   +0 :              -0.00001688721876
                   +1 :               0.00002132884296
                   +2 :              -0.00001481109063
             15 vec=    -7.989449      7.607297    -13.854306   |vec|=   17.709998
                1s
                   +0 :               0.00010409015716
                2s
                   +0 :              -0.00099380881210
                3s
                   +0 :               0.00016987713872
                2p
                   -1 :              -0.00013230673808
                   +0 :               0.00010717533747
                   +1 :               0.00008271251071
                3p
                   -1 :               0.00004369592459
                   +0 :               0.00014477560465
                   +1 :               0.00006047102269
                3d
                   -2 :              -0.00000518824059
                   -1 :              -0.00000629362730
                   +0 :              -0.00001287307758
                   +1 :              -0.00002013401795
                   +2 :              -0.00000874834341
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 20)  npairs=  15
              1 vec=     2.802674     -1.376461     10.693237   |vec|=   11.139791
                1s
                   +0 :              -0.00013691931305
                2s
                   +0 :               0.00109658925464
                3s
                   +0 :              -0.00030653581409
                2p
                   -1 :              -0.00191185467918
                   +0 :               0.00051732985801
                   +1 :               0.00129842387559
                3p
                   -1 :               0.00043218667288
                   +0 :               0.00039312325684
                   +1 :              -0.00074288336067
                3d
                   -2 :              -0.00000587503720
                   -1 :              -0.00017843367488
                   +0 :               0.00016534583952
                   +1 :              -0.00000579378197
                   +2 :              -0.00002586853085
              2 vec=    -4.977489      3.115418     10.693237   |vec|=   12.199448
                1s
                   +0 :               0.00027713203184
                2s
                   +0 :              -0.00216690147822
                3s
                   +0 :               0.00077105318283
                2p
                   -1 :               0.00120535501399
                   +0 :              -0.00137284413822
                   +1 :               0.00128555215707
                3p
                   -1 :              -0.00095713211271
                   +0 :               0.00060736833160
                   +1 :              -0.00058855793404
                3d
                   -2 :               0.00010529111452
                   -1 :              -0.00005149869726
                   +0 :              -0.00011580294017
                   +1 :               0.00005090827855
                   +2 :              -0.00015876822814
              3 vec=    -4.977489     -5.868340     10.693237   |vec|=   13.174146
                1s
                   +0 :               0.00026812789740
                2s
                   +0 :              -0.00300662395132
                3s
                   +0 :               0.00014749639222
                2p
                   -1 :               0.00132635852481
                   +0 :              -0.00097191921605
                   +1 :              -0.00098101888416
                3p
                   -1 :               0.00024474657794
                   +0 :              -0.00055030627716
                   +1 :               0.00037120114359
                3d
                   -2 :               0.00003665926794
                   -1 :               0.00022484925662
                   +0 :              -0.00005052079017
                   +1 :              -0.00002701280635
                   +2 :               0.00007372231939
              4 vec=     2.802674      7.607297     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00093571717633
                2s
                   +0 :               0.00832784976194
                3s
                   +0 :              -0.00161927267504
                2p
                   -1 :               0.00166371071332
                   +0 :               0.00168991096264
                   +1 :               0.00173807620689
                3p
                   -1 :              -0.00129560618198
                   +0 :               0.00026650064882
                   +1 :               0.00039993115227
                3d
                   -2 :               0.00004615580811
                   -1 :              -0.00007483712306
                   +0 :               0.00009746261146
                   +1 :               0.00024554889793
                   +2 :               0.00007968471367
              5 vec=     2.802674     -1.376461    -13.854306   |vec|=   14.201810
                1s
                   +0 :              -0.00009822211729
                2s
                   +0 :               0.00070986858866
                3s
                   +0 :              -0.00025338154534
                2p
                   -1 :               0.00017236435956
                   +0 :              -0.00027353990531
                   +1 :               0.00029792472240
                3p
                   -1 :               0.00008894352752
                   +0 :               0.00018074383890
                   +1 :              -0.00006829817842
                3d
                   -2 :               0.00000650025474
                   -1 :               0.00000074655865
                   +0 :               0.00001093281159
                   +1 :              -0.00001542845647
                   +2 :               0.00000352683274
              6 vec=    -4.977489      3.115418    -13.854306   |vec|=   15.047359
                1s
                   +0 :               0.00012911902089
                2s
                   +0 :              -0.00107554756823
                3s
                   +0 :               0.00029083971512
                2p
                   -1 :               0.00042914251428
                   +0 :               0.00037187406537
                   +1 :               0.00007541711335
                3p
                   -1 :              -0.00023728299728
                   +0 :              -0.00015957548968
                   +1 :              -0.00015880517526
                3d
                   -2 :              -0.00000114255452
                   -1 :               0.00000931433579
                   +0 :               0.00002680958594
                   +1 :               0.00002613261787
                   +2 :               0.00000821013030
              7 vec=     2.802674    -10.360219     10.693237   |vec|=   15.150394
                1s
                   +0 :               0.00002977958355
                2s
                   +0 :              -0.00036457760967
                3s
                   +0 :               0.00000019403226
                2p
                   -1 :               0.00031095626372
                   +0 :               0.00059291992374
                   +1 :               0.00066340250483
                3p
                   -1 :              -0.00004322200265
                   +0 :              -0.00031447091353
                   +1 :              -0.00033099395146
                3d
                   -2 :              -0.00002096889404
                   -1 :               0.00002048896713
                   +0 :               0.00001481752046
                   +1 :              -0.00001903270160
                   +2 :               0.00002214854280
              8 vec=    10.582837      3.115418     10.693237   |vec|=   15.363840
                1s
                   +0 :               0.00008870578140
                2s
                   +0 :              -0.00089037776240
                3s
                   +0 :               0.00018230578325
                2p
                   -1 :              -0.00079562231040
                   +0 :              -0.00065362510742
                   +1 :               0.00014929977175
                3p
                   -1 :               0.00027413492538
                   +0 :               0.00033426685152
                   +1 :              -0.00018508756818
                3d
                   -2 :              -0.00002469554471
                   -1 :               0.00002070596238
                   +0 :              -0.00000669405713
                   +1 :               0.00000346409851
                   +2 :              -0.00002032128001
              9 vec=    -4.977489     -5.868340    -13.854306   |vec|=   15.847858
                1s
                   +0 :              -0.00008146677266
                2s
                   +0 :               0.00091316492527
                3s
                   +0 :              -0.00004713705758
                2p
                   -1 :               0.00044231134304
                   +0 :               0.00001875832783
                   +1 :              -0.00044271720170
                3p
                   -1 :              -0.00002182471967
                   +0 :              -0.00036457826941
                   +1 :               0.00010740184277
                3d
                   -2 :              -0.00001317530136
                   -1 :              -0.00002967083515
                   +0 :               0.00001532388455
                   +1 :               0.00002568047538
                   +2 :              -0.00000152586656
             10 vec=     2.802674      7.607297    -13.854306   |vec|=   16.052032
                1s
                   +0 :               0.00007209333319
                2s
                   +0 :              -0.00086661926828
                3s
                   +0 :               0.00006823896433
                2p
                   -1 :               0.00000731263884
                   +0 :               0.00015919171763
                   +1 :               0.00046093771521
                3p
                   -1 :              -0.00009027264370
                   +0 :               0.00013350911689
                   +1 :              -0.00020330241544
                3d
                   -2 :              -0.00000464231993
                   -1 :               0.00000849077710
                   +0 :              -0.00001144202561
                   +1 :              -0.00002712999975
                   +2 :              -0.00001166962591
             11 vec=    10.582837     -5.868340     10.693237   |vec|=   16.148658
                1s
                   +0 :               0.00011296997098
                2s
                   +0 :              -0.00108595975174
                3s
                   +0 :               0.00014146968326
                2p
                   -1 :               0.00041203102916
                   +0 :              -0.00033379156490
                   +1 :              -0.00034813121068
                3p
                   -1 :              -0.00012318817377
                   +0 :              -0.00003942554440
                   +1 :               0.00004992238392
                3d
                   -2 :               0.00001115278759
                   -1 :               0.00004666696975
                   +0 :              -0.00001704217553
                   +1 :              -0.00002684721269
                   +2 :              -0.00000580459015
             12 vec=   -12.757651     -1.376461     10.693237   |vec|=   16.703222
                1s
                   +0 :               0.00008190954100
                2s
                   +0 :              -0.00095892317157
                3s
                   +0 :               0.00013122394175
                2p
                   -1 :              -0.00007389025621
                   +0 :              -0.00005388062201
                   +1 :               0.00050885471142
                3p
                   -1 :               0.00006073781439
                   +0 :               0.00000114720978
                   +1 :              -0.00018561308221
                3d
                   -2 :              -0.00000367642686
                   -1 :               0.00000721800290
                   +0 :              -0.00000011290004
                   +1 :              -0.00000474434950
                   +2 :               0.00000227316000
             13 vec=    -4.977489     12.099176     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00012023055830
                2s
                   +0 :               0.00130734738974
                3s
                   +0 :              -0.00016538065114
                2p
                   -1 :               0.00044095376592
                   +0 :               0.00034117731601
                   +1 :              -0.00046940930885
                3p
                   -1 :              -0.00010016169535
                   +0 :              -0.00016300724373
                   +1 :               0.00015762076826
                3d
                   -2 :              -0.00002764610589
                   -1 :              -0.00001651937251
                   +0 :               0.00000971415775
                   +1 :               0.00002140125064
                   +2 :               0.00000119386485
             14 vec=     2.802674    -10.360219    -13.854306   |vec|=   17.525151
                1s
                   +0 :              -0.00024962804690
                2s
                   +0 :               0.00270656232279
                3s
                   +0 :              -0.00037301040390
                2p
                   -1 :              -0.00057825838315
                   +0 :              -0.00114447098047
                   +1 :              -0.00005997330756
                3p
                   -1 :               0.00012225754925
                   +0 :               0.00004335925609
                   +1 :               0.00003207963090
                3d
                   -2 :               0.00000420065726
                   -1 :               0.00005047561059
                   +0 :               0.00004734913238
                   +1 :               0.00002488910874
                   +2 :              -0.00004745441572
             15 vec=    10.582837      3.115418    -13.854306   |vec|=   17.709998
                1s
                   +0 :               0.00008717494472
                2s
                   +0 :              -0.00081661688248
                3s
                   +0 :               0.00014812698905
                2p
                   -1 :               0.00010669289106
                   +0 :               0.00020587817706
                   +1 :              -0.00013916031192
                3p
                   -1 :              -0.00008113213028
                   +0 :              -0.00000460718248
                   +1 :               0.00005173552682
                3d
                   -2 :              -0.00000302302448
                   -1 :               0.00001245234800
                   +0 :              -0.00000667385637
                   +1 :              -0.00000375277553
                   +2 :               0.00000999244690
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 21)  npairs=  15
              1 vec=    -2.593388     -1.738956     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00005989321357
                2s
                   +0 :              -0.00089745737417
                3s
                   +0 :               0.00015087868577
                2p
                   -1 :              -0.00088465129845
                   +0 :              -0.00042532761612
                   +1 :              -0.00037545248232
                3p
                   -1 :              -0.00014796222761
                   +0 :               0.00007302955652
                   +1 :              -0.00040378853718
                3d
                   -2 :              -0.00013872428595
                   -1 :              -0.00004733973209
                   +0 :               0.00006123017009
                   +1 :              -0.00004180518256
                   +2 :               0.00003826764496
              2 vec=     5.186775      2.752923     10.693237   |vec|=   12.199448
                1s
                   +0 :              -0.00001702454136
                2s
                   +0 :               0.00076361964260
                3s
                   +0 :               0.00002569187160
                2p
                   -1 :               0.00108996243121
                   +0 :              -0.00000108086135
                   +1 :              -0.00193638535883
                3p
                   -1 :              -0.00038157965820
                   +0 :               0.00067801306471
                   +1 :               0.00133486718633
                3d
                   -2 :               0.00017056739337
                   -1 :               0.00011160855859
                   +0 :               0.00014097874327
                   +1 :               0.00004389674067
                   +2 :               0.00001299966978
              3 vec=    -2.593388      7.244802     10.693237   |vec|=   13.174146
                1s
                   +0 :              -0.00051377199562
                2s
                   +0 :               0.00533494944153
                3s
                   +0 :              -0.00027920484432
                2p
                   -1 :              -0.00113237344987
                   +0 :               0.00126184445149
                   +1 :              -0.00205003186952
                3p
                   -1 :               0.00091157936073
                   +0 :               0.00109442659703
                   +1 :              -0.00050495073041
                3d
                   -2 :              -0.00010052345163
                   -1 :               0.00008679433596
                   +0 :               0.00008058890246
                   +1 :              -0.00038308445580
                   +2 :               0.00014626862246
              4 vec=     5.186775     -6.230835     10.693237   |vec|=   13.419063
                1s
                   +0 :               0.00052629609928
                2s
                   +0 :              -0.00445570229635
                3s
                   +0 :               0.00101275766946
                2p
                   -1 :               0.00207866081733
                   +0 :              -0.00105955241931
                   +1 :              -0.00087408278319
                3p
                   -1 :              -0.00075578309632
                   +0 :               0.00013900771451
                   +1 :               0.00107563780728
                3d
                   -2 :              -0.00002384130074
                   -1 :               0.00007840997183
                   +0 :              -0.00004844878680
                   +1 :               0.00009865278507
                   +2 :               0.00003348662324
              5 vec=    -2.593388     -1.738956    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00001188021073
                2s
                   +0 :               0.00023915454576
                3s
                   +0 :               0.00014686131827
                2p
                   -1 :               0.00045973315675
                   +0 :              -0.00009584753690
                   +1 :              -0.00037869131855
                3p
                   -1 :              -0.00013683062696
                   +0 :              -0.00010428525364
                   +1 :               0.00020782818845
                3d
                   -2 :               0.00001575845659
                   -1 :              -0.00000781643550
                   +0 :               0.00001541548409
                   +1 :              -0.00001125743718
                   +2 :               0.00001120635903
              6 vec=     5.186775      2.752923    -13.854306   |vec|=   15.047359
                1s
                   +0 :               0.00006389334956
                2s
                   +0 :              -0.00068511603032
                3s
                   +0 :               0.00009914068082
                2p
                   -1 :               0.00032340674375
                   +0 :               0.00024396878692
                   +1 :               0.00023188413818
                3p
                   -1 :              -0.00007996363327
                   +0 :              -0.00003563558861
                   +1 :              -0.00016836203189
                3d
                   -2 :               0.00000360416578
                   -1 :              -0.00000036751400
                   +0 :               0.00001231326598
                   +1 :               0.00000543054308
                   +2 :               0.00000462941028
              7 vec=   -10.373550      2.752923     10.693237   |vec|=   15.150394
                1s
                   +0 :               0.00013479717379
                2s
                   +0 :              -0.00155079212796
                3s
                   +0 :               0.00022063437892
                2p
                   -1 :              -0.00089581035827
                   +0 :              -0.00027765953578
                   +1 :               0.00033761409647
                3p
                   -1 :               0.00033532322956
                   +0 :               0.00003382686402
                   +1 :               0.00011072236408
                3d
                   -2 :               0.00001629531848
                   -1 :              -0.00000280724800
                   +0 :               0.00001979679198
                   +1 :               0.00002156563391
                   +2 :              -0.00003708147532
              8 vec=    -2.593388    -10.722714     10.693237   |vec|=   15.363840
                1s
                   +0 :               0.00004728679525
                2s
                   +0 :              -0.00046102024147
                3s
                   +0 :               0.00008597738859
                2p
                   -1 :               0.00033718106698
                   +0 :              -0.00001102132512
                   +1 :              -0.00018289106908
                3p
                   -1 :              -0.00011352991115
                   +0 :               0.00010842245365
                   +1 :               0.00003381801816
                3d
                   -2 :               0.00000305225033
                   -1 :               0.00000974969125
                   +0 :              -0.00000807172817
                   +1 :               0.00000923346652
                   +2 :              -0.00001083128174
              9 vec=    -2.593388      7.244802    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00003287568139
                2s
                   +0 :              -0.00053496144738
                3s
                   +0 :              -0.00006856226874
                2p
                   -1 :              -0.00012665670556
                   +0 :              -0.00024369738187
                   +1 :              -0.00046048061493
                3p
                   -1 :               0.00007050937460
                   +0 :               0.00040242929918
                   +1 :               0.00024841368341
                3d
                   -2 :               0.00000860631811
                   -1 :              -0.00000046877482
                   +0 :              -0.00002738607274
                   +1 :               0.00001925737974
                   +2 :              -0.00002106665438
             10 vec=     5.186775     -6.230835    -13.854306   |vec|=   16.052032
                1s
                   +0 :              -0.00008934552254
                2s
                   +0 :               0.00116618902650
                3s
                   +0 :              -0.00004098947931
                2p
                   -1 :               0.00086027504019
                   +0 :              -0.00049251620441
                   +1 :               0.00064273848128
                3p
                   -1 :              -0.00021735413209
                   +0 :              -0.00011559846455
                   +1 :              -0.00012841705189
                3d
                   -2 :               0.00002935004982
                   -1 :              -0.00004694699261
                   +0 :               0.00001716417896
                   +1 :              -0.00004283041968
                   +2 :               0.00000493480300
             11 vec=   -10.373550     -6.230835     10.693237   |vec|=   16.148658
                1s
                   +0 :               0.00014482407464
                2s
                   +0 :              -0.00131665043439
                3s
                   +0 :               0.00024219878662
                2p
                   -1 :               0.00039732679489
                   +0 :              -0.00014211751896
                   +1 :               0.00058926940791
                3p
                   -1 :              -0.00007506222006
                   +0 :              -0.00012956261102
                   +1 :              -0.00021059211832
                3d
                   -2 :              -0.00000590157621
                   -1 :               0.00000284277870
                   +0 :              -0.00002225533208
                   +1 :               0.00003529045450
                   +2 :              -0.00001029206141
             12 vec=     5.186775     11.736681     10.693237   |vec|=   16.703222
                1s
                   +0 :              -0.00013935461288
                2s
                   +0 :               0.00166013999900
                3s
                   +0 :              -0.00024898999164
                2p
                   -1 :               0.00092299681293
                   +0 :               0.00005263476316
                   +1 :               0.00060703045353
                3p
                   -1 :              -0.00038291627694
                   +0 :              -0.00015324437611
                   +1 :              -0.00024857450292
                3d
                   -2 :               0.00001179481831
                   -1 :              -0.00002523784850
                   +0 :              -0.00001105374430
                   +1 :              -0.00001847552808
                   +2 :              -0.00000876511846
             13 vec=    12.966938     -1.738956     10.693237   |vec|=   16.897064
                1s
                   +0 :               0.00007747775728
                2s
                   +0 :              -0.00086249386572
                3s
                   +0 :               0.00010923232849
                2p
                   -1 :              -0.00006341905836
                   +0 :              -0.00033311084002
                   +1 :              -0.00034598960473
                3p
                   -1 :              -0.00000116108000
                   +0 :               0.00004610511295
                   +1 :               0.00011656973910
                3d
                   -2 :              -0.00001093900237
                   -1 :              -0.00000255810408
                   +0 :              -0.00001642475224
                   +1 :               0.00000673619243
                   +2 :              -0.00001497587787
             14 vec=   -10.373550      2.752923    -13.854306   |vec|=   17.525151
                1s
                   +0 :               0.00011719961526
                2s
                   +0 :              -0.00132784767022
                3s
                   +0 :               0.00014054501706
                2p
                   -1 :              -0.00010498351782
                   +0 :               0.00059892185090
                   +1 :               0.00025926683214
                3p
                   -1 :               0.00000216609785
                   +0 :               0.00001561645127
                   +1 :              -0.00005357050894
                3d
                   -2 :               0.00002090291454
                   -1 :               0.00002853436718
                   +0 :              -0.00003046191362
                   +1 :              -0.00002023477118
                   +2 :              -0.00001109692376
             15 vec=    -2.593388    -10.722714    -13.854306   |vec|=   17.709998
                1s
                   +0 :              -0.00019126510189
                2s
                   +0 :               0.00181042569458
                3s
                   +0 :              -0.00031800412777
                2p
                   -1 :              -0.00020495442431
                   +0 :              -0.00031305351452
                   +1 :              -0.00023520365093
                3p
                   -1 :              -0.00002628326418
                   +0 :              -0.00014016842217
                   +1 :               0.00016420754138
                3d
                   -2 :              -0.00002033563304
                   -1 :               0.00001726593243
                   +0 :               0.00001954693395
                   +1 :              -0.00002817788756
                   +2 :               0.00000249718390
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 22)  npairs=  14
              1 vec=     2.803193      1.376162     -1.580534   |vec|=    3.499971
                1s
                   +0 :               0.00573591205174
                2s
                   +0 :              -0.06367835189991
                3s
                   +0 :               0.00916999684969
                2p
                   -1 :               0.00899435585716
                   +0 :              -0.00583187598642
                   +1 :              -0.02320502998166
                3p
                   -1 :               0.00101211704779
                   +0 :              -0.00467794605651
                   +1 :               0.01589879450586
                3d
                   -2 :              -0.00075003645517
                   -1 :               0.00009069255439
                   +0 :               0.00448380791761
                   +1 :               0.00206660575618
                   +2 :              -0.00824602243621
              2 vec=    -4.976970     -3.115717     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00029616040387
                2s
                   +0 :               0.00306294777434
                3s
                   +0 :               0.00048050871289
                2p
                   -1 :               0.00369968814180
                   +0 :               0.00079857104623
                   +1 :              -0.00356558036335
                3p
                   -1 :              -0.00021286248582
                   +0 :               0.00056421577765
                   +1 :              -0.00246216342882
                3d
                   -2 :               0.00007178985283
                   -1 :               0.00042583614936
                   +0 :              -0.00034135617480
                   +1 :               0.00035808400731
                   +2 :               0.00007657633799
              3 vec=    -4.976970      5.868041     -1.580534   |vec|=    7.855076
                1s
                   +0 :               0.00146317810277
                2s
                   +0 :              -0.01190683743033
                3s
                   +0 :               0.00139433521456
                2p
                   -1 :              -0.00171318562775
                   +0 :              -0.00089493569154
                   +1 :               0.00090858102806
                3p
                   -1 :              -0.00351304907190
                   +0 :              -0.00065637757929
                   +1 :              -0.00147905808248
                3d
                   -2 :               0.00013716976856
                   -1 :              -0.00054526966614
                   +0 :               0.00032291260079
                   +1 :               0.00009193784523
                   +2 :               0.00091672488639
              4 vec=     2.803193     -7.607596     -1.580534   |vec|=    8.260236
                1s
                   +0 :              -0.00268746080264
                2s
                   +0 :               0.02371966974312
                3s
                   +0 :              -0.00488725203677
                2p
                   -1 :              -0.00968286462749
                   +0 :               0.00249624283990
                   +1 :               0.00695057483133
                3p
                   -1 :               0.00158431370309
                   +0 :              -0.00102228607448
                   +1 :               0.00153380958907
                3d
                   -2 :              -0.00116709535720
                   -1 :               0.00014382664916
                   +0 :              -0.00059648820629
                   +1 :               0.00042120764808
                   +2 :              -0.00002532325223
              5 vec=     2.803193     10.359920     -1.580534   |vec|=   10.848222
                1s
                   +0 :               0.00000558717570
                2s
                   +0 :               0.00070905090229
                3s
                   +0 :               0.00035978243575
                2p
                   -1 :               0.00034659340597
                   +0 :              -0.00207762225899
                   +1 :              -0.00029824516291
                3p
                   -1 :              -0.00036533188504
                   +0 :              -0.00006008312921
                   +1 :               0.00030415305950
                3d
                   -2 :               0.00005536436874
                   -1 :              -0.00005352410551
                   +0 :               0.00015495678455
                   +1 :               0.00009387821869
                   +2 :              -0.00004826706677
              6 vec=    10.583355     -3.115717     -1.580534   |vec|=   11.145097
                1s
                   +0 :               0.00047758046147
                2s
                   +0 :              -0.00461631647529
                3s
                   +0 :               0.00095864420875
                2p
                   -1 :               0.00274461063553
                   +0 :               0.00013679443189
                   +1 :               0.00037999282274
                3p
                   -1 :              -0.00031342670041
                   +0 :               0.00054736549385
                   +1 :              -0.00022767026240
                3d
                   -2 :               0.00002243155204
                   -1 :              -0.00010398119626
                   +0 :              -0.00013887502975
                   +1 :              -0.00007562383818
                   +2 :               0.00010492290299
              7 vec=    10.583355      5.868041     -1.580534   |vec|=   12.204073
                1s
                   +0 :               0.00015542573998
                2s
                   +0 :              -0.00166403255336
                3s
                   +0 :               0.00007939307217
                2p
                   -1 :              -0.00040302303569
                   +0 :               0.00002834740683
                   +1 :              -0.00077711893681
                3p
                   -1 :              -0.00019952914267
                   +0 :              -0.00030190997977
                   +1 :               0.00011784767819
                3d
                   -2 :               0.00000325478922
                   -1 :              -0.00013486433424
                   +0 :               0.00010359059197
                   +1 :              -0.00005921922317
                   +2 :               0.00006344939728
              8 vec=   -12.757133      1.376162     -1.580534   |vec|=   12.928122
                1s
                   +0 :               0.00043432367400
                2s
                   +0 :              -0.00488102666961
                3s
                   +0 :               0.00091564232263
                2p
                   -1 :              -0.00061256050266
                   +0 :               0.00006853827103
                   +1 :               0.00452612131773
                3p
                   -1 :               0.00044447836471
                   +0 :               0.00012073575703
                   +1 :              -0.00126912619927
                3d
                   -2 :              -0.00002108675637
                   -1 :               0.00000100154342
                   +0 :               0.00003760392942
                   +1 :              -0.00008627827778
                   +2 :              -0.00009370049438
              9 vec=    -4.976970    -12.099475     -1.580534   |vec|=   13.178225
                1s
                   +0 :              -0.00072993369309
                2s
                   +0 :               0.00783310105645
                3s
                   +0 :              -0.00103134961433
                2p
                   -1 :              -0.00687701016152
                   +0 :               0.00061034976389
                   +1 :              -0.00177694623130
                3p
                   -1 :               0.00161929675884
                   +0 :              -0.00033587236882
                   +1 :              -0.00030075759896
                3d
                   -2 :               0.00017287492836
                   -1 :               0.00008633106395
                   +0 :              -0.00002904108555
                   +1 :               0.00011704128760
                   +2 :              -0.00014391966744
             10 vec=   -12.757133     -7.607596     -1.580534   |vec|=   14.937136
                1s
                   +0 :              -0.00000510543947
                2s
                   +0 :               0.00032515526659
                3s
                   +0 :               0.00003484272125
                2p
                   -1 :               0.00019074944455
                   +0 :               0.00015481116174
                   +1 :              -0.00095185477494
                3p
                   -1 :               0.00025862859503
                   +0 :              -0.00008942578254
                   +1 :               0.00014441244141
                3d
                   -2 :              -0.00003123861480
                   -1 :               0.00001592283553
                   +0 :              -0.00000287058708
                   +1 :               0.00000565193048
                   +2 :               0.00005499791039
             11 vec=    -4.976970     14.851799     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00001985130073
                2s
                   +0 :               0.00013322471810
                3s
                   +0 :              -0.00008774512765
                2p
                   -1 :               0.00015675848683
                   +0 :              -0.00000319077230
                   +1 :              -0.00007918935358
                3p
                   -1 :              -0.00025803167887
                   +0 :              -0.00025530152197
                   +1 :               0.00018844097481
                3d
                   -2 :               0.00002975458242
                   -1 :              -0.00002047891060
                   +0 :               0.00003398745677
                   +1 :              -0.00000003097175
                   +2 :              -0.00000249117765
             12 vec=    10.583355    -12.099475     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00004313172927
                2s
                   +0 :               0.00043195917851
                3s
                   +0 :              -0.00006276409379
                2p
                   -1 :              -0.00009689637021
                   +0 :               0.00018511843451
                   +1 :               0.00045258579291
                3p
                   -1 :               0.00009137300264
                   +0 :               0.00002288890785
                   +1 :              -0.00016327717031
                3d
                   -2 :               0.00002104439489
                   -1 :               0.00002032829776
                   +0 :              -0.00000551399018
                   +1 :               0.00001013406501
                   +2 :               0.00000045578263
             13 vec=   -12.757133     10.359920     -1.580534   |vec|=   16.509708
                1s
                   +0 :               0.00002222401244
                2s
                   +0 :              -0.00034600549533
                3s
                   +0 :              -0.00003623967724
                2p
                   -1 :               0.00029533483258
                   +0 :               0.00016091607104
                   +1 :               0.00015921391234
                3p
                   -1 :              -0.00020957726591
                   +0 :              -0.00014590295310
                   +1 :               0.00009617952795
                3d
                   -2 :              -0.00000810850075
                   -1 :              -0.00000895678756
                   +0 :               0.00002376377986
                   +1 :              -0.00000409071134
                   +2 :              -0.00000356746409
             14 vec=     2.803193    -16.591354     -1.580534   |vec|=   16.900562
                1s
                   +0 :              -0.00015004828320
                2s
                   +0 :               0.00157318040881
                3s
                   +0 :              -0.00022107130684
                2p
                   -1 :              -0.00104438035651
                   +0 :               0.00013046619286
                   +1 :              -0.00007514329496
                3p
                   -1 :               0.00024766460194
                   +0 :               0.00001981388938
                   +1 :              -0.00003467825505
                3d
                   -2 :               0.00002845955390
                   -1 :               0.00002069408784
                   +0 :              -0.00002268872119
                   +1 :               0.00000679189396
                   +2 :              -0.00001241478717
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805     -3.115717     -1.580534   |vec|=    3.499971
                1s
                   +0 :              -0.01203531773921
                2s
                   +0 :               0.13605227012343
                3s
                   +0 :              -0.01671697100206
                2p
                   -1 :              -0.03543038161284
                   +0 :               0.01390169357639
                   +1 :              -0.01461888242570
                3p
                   -1 :               0.03010487919922
                   +0 :               0.00905454015214
                   +1 :               0.01136957611061
                3d
                   -2 :               0.00195531377992
                   -1 :               0.00451665901809
                   +0 :              -0.00983910381019
                   +1 :               0.00104226384672
                   +2 :              -0.01218945060113
              2 vec=    -0.209805      5.868041     -1.580534   |vec|=    6.080790
                1s
                   +0 :               0.00062063009673
                2s
                   +0 :              -0.00621492973188
                3s
                   +0 :               0.00062299971082
                2p
                   -1 :              -0.00243914899441
                   +0 :              -0.00291984418215
                   +1 :               0.00553214608500
                3p
                   -1 :              -0.00240799318022
                   +0 :               0.00095802471581
                   +1 :              -0.00400384074850
                3d
                   -2 :               0.00003632775093
                   -1 :               0.00112194012711
                   +0 :               0.00034627121071
                   +1 :              -0.00016448771044
                   +2 :               0.00060716699557
              3 vec=     7.570358      1.376162     -1.580534   |vec|=    7.855076
                1s
                   +0 :               0.00180139648514
                2s
                   +0 :              -0.01734307507358
                3s
                   +0 :               0.00224847498169
                2p
                   -1 :              -0.00492383502365
                   +0 :              -0.00249125615783
                   +1 :              -0.00848931501713
                3p
                   -1 :               0.00334898547723
                   +0 :               0.00097730893064
                   +1 :              -0.00127668332273
                3d
                   -2 :               0.00022254885205
                   -1 :               0.00013935126811
                   +0 :               0.00075501773286
                   +1 :              -0.00035049782263
                   +2 :              -0.00099236455425
              4 vec=    -7.989968      1.376162     -1.580534   |vec|=    8.260236
                1s
                   +0 :               0.00208851531065
                2s
                   +0 :              -0.01856674898674
                3s
                   +0 :               0.00371623561038
                2p
                   -1 :              -0.00109222447961
                   +0 :              -0.00308967026838
                   +1 :               0.01115056314178
                3p
                   -1 :               0.00209236499579
                   +0 :               0.00246127837244
                   +1 :              -0.00160235397100
                3d
                   -2 :              -0.00031052288358
                   -1 :               0.00031618311810
                   +0 :               0.00044699825604
                   +1 :               0.00001919908620
                   +2 :              -0.00077361535172
              5 vec=     7.570358     -7.607596     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00041098448538
                2s
                   +0 :               0.00377320919664
                3s
                   +0 :              -0.00115336831021
                2p
                   -1 :               0.00229479128189
                   +0 :               0.00090809301371
                   +1 :               0.00316151476803
                3p
                   -1 :              -0.00077591502391
                   +0 :              -0.00012936937455
                   +1 :              -0.00082849623798
                3d
                   -2 :               0.00004037608990
                   -1 :              -0.00000421421113
                   +0 :              -0.00006820809169
                   +1 :              -0.00001823851726
                   +2 :               0.00007725091310
              6 vec=    -7.989968     -7.607596     -1.580534   |vec|=   11.145097
                1s
                   +0 :              -0.00067650136481
                2s
                   +0 :               0.00659448793020
                3s
                   +0 :              -0.00151076406050
                2p
                   -1 :               0.00182621618866
                   +0 :               0.00085215767124
                   +1 :              -0.00637167319051
                3p
                   -1 :              -0.00041917808180
                   +0 :              -0.00036683839370
                   +1 :               0.00255244166239
                3d
                   -2 :              -0.00004585202308
                   -1 :              -0.00003128033082
                   +0 :               0.00002211416905
                   +1 :               0.00003610440713
                   +2 :               0.00007699232641
              7 vec=    -0.209805    -12.099475     -1.580534   |vec|=   12.204073
                1s
                   +0 :              -0.00020634892051
                2s
                   +0 :               0.00243219504305
                3s
                   +0 :               0.00004027933008
                2p
                   -1 :              -0.00147246398318
                   +0 :               0.00004122253028
                   +1 :              -0.00042963802922
                3p
                   -1 :              -0.00001047899771
                   +0 :               0.00065827232483
                   +1 :               0.00077303866648
                3d
                   -2 :              -0.00013675614821
                   -1 :              -0.00025589206734
                   +0 :              -0.00027541020449
                   +1 :               0.00006842053856
                   +2 :               0.00004727488707
              8 vec=     7.570358     10.359920     -1.580534   |vec|=   12.928122
                1s
                   +0 :               0.00023810510216
                2s
                   +0 :              -0.00212382704131
                3s
                   +0 :               0.00046748604818
                2p
                   -1 :              -0.00128118021846
                   +0 :              -0.00016748745193
                   +1 :              -0.00053931444840
                3p
                   -1 :               0.00023780332756
                   +0 :              -0.00014435866230
                   +1 :               0.00033248256794
                3d
                   -2 :              -0.00001717941610
                   -1 :               0.00004690194509
                   +0 :               0.00001299737567
                   +1 :              -0.00004031766634
                   +2 :               0.00001022401512
              9 vec=    -7.989968     10.359920     -1.580534   |vec|=   13.178225
                1s
                   +0 :               0.00025335516386
                2s
                   +0 :              -0.00294322743994
                3s
                   +0 :               0.00035808873634
                2p
                   -1 :              -0.00175126817931
                   +0 :              -0.00018060683922
                   +1 :               0.00216328650545
                3p
                   -1 :              -0.00004694915079
                   +0 :              -0.00010511338731
                   +1 :              -0.00087087006150
                3d
                   -2 :               0.00008452385055
                   -1 :               0.00008206208816
                   +0 :               0.00001189174757
                   +1 :               0.00002423274176
                   +2 :               0.00004311345310
             10 vec=    -0.209805     14.851799     -1.580534   |vec|=   14.937136
                1s
                   +0 :              -0.00004454643911
                2s
                   +0 :               0.00001911259110
                3s
                   +0 :              -0.00018420082302
                2p
                   -1 :              -0.00051062172096
                   +0 :               0.00003071273397
                   +1 :               0.00020971559429
                3p
                   -1 :               0.00008751165568
                   +0 :              -0.00012686992639
                   +1 :              -0.00029766646766
                3d
                   -2 :              -0.00003909245903
                   -1 :               0.00000567773467
                   +0 :               0.00000588307569
                   +1 :              -0.00001093640252
                   +2 :               0.00000290347161
             11 vec=    15.350520     -3.115717     -1.580534   |vec|=   15.743070
                1s
                   +0 :               0.00008126200116
                2s
                   +0 :              -0.00088822715831
                3s
                   +0 :               0.00011669466471
                2p
                   -1 :               0.00027755778950
                   +0 :               0.00010616355978
                   +1 :              -0.00053383695335
                3p
                   -1 :              -0.00005304111462
                   +0 :              -0.00003621745369
                   +1 :               0.00030570415126
                3d
                   -2 :               0.00000007757161
                   -1 :              -0.00000009777110
                   +0 :              -0.00000035768047
                   +1 :               0.00000636589891
                   +2 :               0.00002356771098
             12 vec=   -15.770130     -3.115717     -1.580534   |vec|=   16.152486
                1s
                   +0 :               0.00006198264145
                2s
                   +0 :              -0.00060267941480
                3s
                   +0 :               0.00009528921432
                2p
                   -1 :               0.00029814482589
                   +0 :               0.00006635586491
                   +1 :               0.00011086169918
                3p
                   -1 :              -0.00001651831904
                   +0 :              -0.00000957019959
                   +1 :              -0.00000945848611
                3d
                   -2 :               0.00001171785240
                   -1 :               0.00000012597071
                   +0 :               0.00000218502531
                   +1 :              -0.00001150633344
                   +2 :               0.00001742363641
             13 vec=    15.350520      5.868041     -1.580534   |vec|=   16.509708
                1s
                   +0 :               0.00008589649035
                2s
                   +0 :              -0.00096742698399
                3s
                   +0 :               0.00009196563300
                2p
                   -1 :              -0.00086892139848
                   +0 :              -0.00006836501607
                   +1 :              -0.00025657741999
                3p
                   -1 :               0.00023157002878
                   +0 :               0.00002586259358
                   +1 :               0.00001097112028
                3d
                   -2 :               0.00000293609152
                   -1 :               0.00001548829167
                   +0 :               0.00001366742996
                   +1 :              -0.00001361883660
                   +2 :               0.00001225495266
             14 vec=   -15.770130      5.868041     -1.580534   |vec|=   16.900562
                1s
                   +0 :               0.00008379377795
                2s
                   +0 :              -0.00092673548425
                3s
                   +0 :               0.00009952051489
                2p
                   -1 :              -0.00048287807068
                   +0 :              -0.00008145061338
                   +1 :               0.00046059283674
                3p
                   -1 :               0.00005880926997
                   +0 :               0.00001878954792
                   +1 :              -0.00010153581552
                3d
                   -2 :               0.00002272069750
                   -1 :               0.00001069063717
                   +0 :               0.00001574030449
                   +1 :              -0.00000569722213
                   +2 :               0.00001320760361
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 24)  npairs=  14
              1 vec=    -2.593388      1.739555     -1.580534   |vec|=    3.499971
                1s
                   +0 :               0.00629940568748
                2s
                   +0 :              -0.07237391822352
                3s
                   +0 :               0.00754697415237
                2p
                   -1 :              -0.00578219097374
                   +0 :              -0.00806981758996
                   +1 :               0.01956099500180
                3p
                   -1 :               0.01163607993393
                   +0 :              -0.00437659409563
                   +1 :              -0.01156088578116
                3d
                   -2 :               0.00401774763120
                   -1 :               0.00141656967049
                   +0 :               0.00535529589257
                   +1 :              -0.00227856459241
                   +2 :              -0.00787483448894
              2 vec=     5.186775     -2.752324     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00032446969286
                2s
                   +0 :               0.00315198195754
                3s
                   +0 :              -0.00110350842371
                2p
                   -1 :               0.00850913179464
                   +0 :               0.00212127313593
                   +1 :               0.00629967177048
                3p
                   -1 :              -0.00264555955630
                   +0 :              -0.00152224049346
                   +1 :              -0.00133196314268
                3d
                   -2 :              -0.00040544618660
                   -1 :               0.00032132775536
                   +0 :              -0.00000491503591
                   +1 :              -0.00050604557997
                   +2 :               0.00031116058566
              3 vec=    -2.593388     -7.244203     -1.580534   |vec|=    7.855076
                1s
                   +0 :              -0.00326457458791
                2s
                   +0 :               0.02924991250392
                3s
                   +0 :              -0.00364281019625
                2p
                   -1 :              -0.01145732704296
                   +0 :               0.00338619184937
                   +1 :              -0.00100986305504
                3p
                   -1 :               0.00009322988569
                   +0 :              -0.00032093135136
                   +1 :              -0.00732056694380
                3d
                   -2 :               0.00183317926400
                   -1 :              -0.00058611972692
                   +0 :              -0.00107793033366
                   +1 :              -0.00072217910972
                   +2 :               0.00003612062132
              4 vec=     5.186775      6.231434     -1.580534   |vec|=    8.260236
                1s
                   +0 :               0.00059894549200
                2s
                   +0 :              -0.00515292075638
                3s
                   +0 :               0.00117101642639
                2p
                   -1 :              -0.00175024798110
                   +0 :               0.00059342742848
                   +1 :               0.00161085638372
                3p
                   -1 :              -0.00087765796400
                   +0 :              -0.00143899229797
                   +1 :              -0.00047425751686
                3d
                   -2 :              -0.00009076915278
                   -1 :              -0.00011814474349
                   +0 :               0.00014948995024
                   +1 :               0.00007093828654
                   +2 :               0.00034234422037
              5 vec=   -10.373550     -2.752324     -1.580534   |vec|=   10.848222
                1s
                   +0 :               0.00040539730968
                2s
                   +0 :              -0.00448226009893
                3s
                   +0 :               0.00079358587446
                2p
                   -1 :               0.00431693233512
                   +0 :               0.00116952924528
                   +1 :              -0.00025555404958
                3p
                   -1 :              -0.00155152651967
                   +0 :               0.00018945250376
                   +1 :               0.00009340383938
                3d
                   -2 :              -0.00006083152988
                   -1 :              -0.00012596509984
                   +0 :              -0.00008674869286
                   +1 :              -0.00000488377047
                   +2 :               0.00000151169293
              6 vec=    -2.593388     10.723313     -1.580534   |vec|=   11.145097
                1s
                   +0 :               0.00019892090334
                2s
                   +0 :              -0.00197817145491
                3s
                   +0 :               0.00055211985175
                2p
                   -1 :              -0.00356170087324
                   +0 :              -0.00098895210312
                   +1 :              -0.00220048726220
                3p
                   -1 :               0.00204134516112
                   +0 :              -0.00018052710015
                   +1 :               0.00125396908276
                3d
                   -2 :               0.00001247835335
                   -1 :               0.00002912873521
                   +0 :               0.00011676086070
                   +1 :              -0.00008272051188
                   +2 :               0.00003182230399
              7 vec=   -10.373550      6.231434     -1.580534   |vec|=   12.204073
                1s
                   +0 :               0.00005092318053
                2s
                   +0 :              -0.00076816248969
                3s
                   +0 :              -0.00011967240224
                2p
                   -1 :              -0.00063681621614
                   +0 :              -0.00006956993711
                   +1 :               0.00032278454535
                3p
                   -1 :               0.00046240797000
                   +0 :              -0.00035636234506
                   +1 :               0.00028172094421
                3d
                   -2 :              -0.00005274314275
                   -1 :              -0.00008483892460
                   +0 :               0.00017181961252
                   +1 :               0.00010941374912
                   +2 :              -0.00006589088644
              8 vec=     5.186775    -11.736082     -1.580534   |vec|=   12.928122
                1s
                   +0 :              -0.00067242877616
                2s
                   +0 :               0.00700485371092
                3s
                   +0 :              -0.00138312837081
                2p
                   -1 :              -0.00533366641527
                   +0 :               0.00009894918090
                   +1 :               0.00257244509403
                3p
                   -1 :               0.00172817472546
                   +0 :               0.00002362290527
                   +1 :              -0.00028933598317
                3d
                   -2 :              -0.00010913435154
                   -1 :               0.00006375480134
                   +0 :              -0.00005060130509
                   +1 :              -0.00010304888595
                   +2 :              -0.00003835438370
              9 vec=    12.966938      1.739555     -1.580534   |vec|=   13.178225
                1s
                   +0 :               0.00047657852923
                2s
                   +0 :              -0.00488987361652
                3s
                   +0 :               0.00067326087799
                2p
                   -1 :              -0.00090179752357
                   +0 :              -0.00042974292467
                   +1 :              -0.00424585263277
                3p
                   -1 :               0.00029244192845
                   +0 :               0.00044098575613
                   +1 :               0.00085719745646
                3d
                   -2 :              -0.00003327604428
                   -1 :               0.00000382201767
                   +0 :               0.00001714933798
                   +1 :               0.00007433405616
                   +2 :              -0.00012691738500
             10 vec=    12.966938     -7.244203     -1.580534   |vec|=   14.937136
                1s
                   +0 :               0.00004965187858
                2s
                   +0 :              -0.00034426785769
                3s
                   +0 :               0.00014935810177
                2p
                   -1 :               0.00084601330984
                   +0 :              -0.00018552389570
                   +1 :               0.00023633565648
                3p
                   -1 :              -0.00020978144038
                   +0 :               0.00021629570893
                   +1 :               0.00007156460337
                3d
                   -2 :               0.00000994957046
                   -1 :              -0.00000356563269
                   +0 :              -0.00000301248862
                   +1 :               0.00000623028159
                   +2 :               0.00002214906239
             11 vec=   -10.373550    -11.736082     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00006141070044
                2s
                   +0 :               0.00075500244021
                3s
                   +0 :              -0.00002894953705
                2p
                   -1 :              -0.00017657823300
                   +0 :              -0.00010297278748
                   +1 :              -0.00041112841833
                3p
                   -1 :              -0.00005398350701
                   +0 :               0.00029151897567
                   +1 :               0.00006954552686
                3d
                   -2 :              -0.00000765158253
                   -1 :              -0.00000474848836
                   +0 :              -0.00003362977629
                   +1 :              -0.00001448312099
                   +2 :              -0.00001516277861
             12 vec=     5.186775     15.215192     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00001885091217
                2s
                   +0 :               0.00017072023629
                3s
                   +0 :              -0.00003252512053
                2p
                   -1 :              -0.00019531751842
                   +0 :              -0.00025147429942
                   +1 :              -0.00006039196531
                3p
                   -1 :               0.00017063822990
                   +0 :              -0.00001331870827
                   +1 :               0.00000706879721
                3d
                   -2 :               0.00000168653123
                   -1 :              -0.00000851400057
                   +0 :               0.00000332896486
                   +1 :               0.00001680959422
                   +2 :               0.00000086268680
             13 vec=    -2.593388    -16.227961     -1.580534   |vec|=   16.509708
                1s
                   +0 :              -0.00010812050279
                2s
                   +0 :               0.00131343247933
                3s
                   +0 :              -0.00005572595577
                2p
                   -1 :              -0.00064687913942
                   +0 :              -0.00009255105497
                   +1 :               0.00095959371879
                3p
                   -1 :              -0.00006279626422
                   +0 :               0.00012004035951
                   +1 :              -0.00032846943990
                3d
                   -2 :              -0.00001628881947
                   -1 :              -0.00000498584647
                   +0 :              -0.00003743120983
                   +1 :              -0.00003002483358
                   +2 :               0.00001390864176
             14 vec=    12.966938     10.723313     -1.580534   |vec|=   16.900562
                1s
                   +0 :               0.00006625450524
                2s
                   +0 :              -0.00064644492455
                3s
                   +0 :               0.00012155079195
                2p
                   -1 :              -0.00029966811381
                   +0 :              -0.00004901557948
                   +1 :              -0.00029355047292
                3p
                   -1 :               0.00009533659015
                   +0 :              -0.00003860343730
                   +1 :               0.00009544647984
                3d
                   -2 :               0.00000340048438
                   -1 :               0.00000487647071
                   +0 :               0.00000694841670
                   +1 :               0.00000921057832
                   +2 :              -0.00000457358721
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 25)  npairs=  14
              1 vec=    -2.803193     -1.376162     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00019254131786
                2s
                   +0 :               0.00151362405082
                3s
                   +0 :              -0.00000038339350
                2p
                   -1 :              -0.00388487549176
                   +0 :              -0.00081644468818
                   +1 :               0.00500464752218
                3p
                   -1 :               0.00332600493415
                   +0 :              -0.00109840726419
                   +1 :              -0.00476924308088
                3d
                   -2 :               0.00026583732310
                   -1 :               0.00034412197501
                   +0 :               0.00011066905400
                   +1 :               0.00008794832638
                   +2 :              -0.00036185126759
              2 vec=     4.976970      3.115717     -5.671791   |vec|=    8.163770
                1s
                   +0 :               0.00085346763982
                2s
                   +0 :              -0.00751660775809
                3s
                   +0 :               0.00106944374497
                2p
                   -1 :              -0.00108205307997
                   +0 :               0.00193002639864
                   +1 :              -0.00116413970145
                3p
                   -1 :              -0.00059593777602
                   +0 :               0.00100125959229
                   +1 :               0.00240419784616
                3d
                   -2 :              -0.00012071784558
                   -1 :               0.00010858038967
                   +0 :              -0.00068275468458
                   +1 :               0.00007830945146
                   +2 :               0.00041265714022
              3 vec=     4.976970     -5.868041     -5.671791   |vec|=    9.558941
                1s
                   +0 :              -0.00014774751956
                2s
                   +0 :               0.00216262886041
                3s
                   +0 :              -0.00002586384668
                2p
                   -1 :               0.00086441284910
                   +0 :               0.00185023260426
                   +1 :               0.00281551600510
                3p
                   -1 :              -0.00038571924004
                   +0 :              -0.00115669094563
                   +1 :              -0.00069166110139
                3d
                   -2 :              -0.00002251844617
                   -1 :               0.00017684907276
                   +0 :              -0.00006182333683
                   +1 :              -0.00011682573737
                   +2 :              -0.00004801968572
              4 vec=    -2.803193      7.607596     -5.671791   |vec|=    9.894576
                1s
                   +0 :               0.00011827481349
                2s
                   +0 :              -0.00175379814973
                3s
                   +0 :              -0.00009983243241
                2p
                   -1 :               0.00105867501364
                   +0 :               0.00034246649430
                   +1 :              -0.00151649705291
                3p
                   -1 :              -0.00138191330106
                   +0 :               0.00040256277634
                   +1 :               0.00104168232225
                3d
                   -2 :              -0.00002427944306
                   -1 :               0.00001775300709
                   +0 :               0.00005681777302
                   +1 :               0.00002535750174
                   +2 :               0.00000530808746
              5 vec=    -2.803193    -10.359920     -5.671791   |vec|=   12.138989
                1s
                   +0 :              -0.00029055162214
                2s
                   +0 :               0.00476583991243
                3s
                   +0 :               0.00007540955288
                2p
                   -1 :              -0.00122335863219
                   +0 :              -0.00171693290716
                   +1 :               0.00064336046907
                3p
                   -1 :              -0.00018450136826
                   +0 :              -0.00002499775742
                   +1 :              -0.00043983749906
                3d
                   -2 :               0.00003629815195
                   -1 :               0.00011054207473
                   +0 :               0.00007993634075
                   +1 :              -0.00011074138566
                   +2 :              -0.00001078091711
              6 vec=   -10.583355      3.115717     -5.671791   |vec|=   12.405012
                1s
                   +0 :               0.00024135623182
                2s
                   +0 :              -0.00263202373567
                3s
                   +0 :               0.00042202289967
                2p
                   -1 :              -0.00015357225391
                   +0 :               0.00044562811268
                   +1 :               0.00056096652649
                3p
                   -1 :              -0.00004618847495
                   +0 :              -0.00013285704678
                   +1 :              -0.00008392477669
                3d
                   -2 :              -0.00002383157518
                   -1 :              -0.00001567840446
                   +0 :              -0.00000719223729
                   +1 :               0.00003902238860
                   +2 :               0.00002397779354
              7 vec=   -10.583355     -5.868041     -5.671791   |vec|=   13.364525
                1s
                   +0 :              -0.00004827820741
                2s
                   +0 :               0.00037300672269
                3s
                   +0 :              -0.00018351718652
                2p
                   -1 :               0.00084830273286
                   +0 :               0.00012671326788
                   +1 :              -0.00035115742786
                3p
                   -1 :              -0.00004629756814
                   +0 :               0.00012995774252
                   +1 :              -0.00000884830460
                3d
                   -2 :              -0.00002146875349
                   -1 :              -0.00005492583264
                   +0 :               0.00000960167343
                   +1 :               0.00000188660889
                   +2 :               0.00002953980715
              8 vec=    12.757133     -1.376162     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00009349246946
                2s
                   +0 :              -0.00133607883333
                3s
                   +0 :               0.00007252338512
                2p
                   -1 :              -0.00025089627338
                   +0 :               0.00039862549933
                   +1 :              -0.00035843917573
                3p
                   -1 :               0.00039782638198
                   +0 :              -0.00001907794975
                   +1 :              -0.00019953326971
                3d
                   -2 :               0.00003024738484
                   -1 :              -0.00003807818999
                   +0 :               0.00005658471859
                   +1 :               0.00001851718008
                   +2 :              -0.00004110017332
              9 vec=     4.976970     12.099475     -5.671791   |vec|=   14.259619
                1s
                   +0 :               0.00002638737132
                2s
                   +0 :              -0.00020943610305
                3s
                   +0 :               0.00007458616172
                2p
                   -1 :               0.00015851888798
                   +0 :              -0.00045567636617
                   +1 :               0.00037735538221
                3p
                   -1 :              -0.00013984373207
                   +0 :               0.00021181364114
                   +1 :              -0.00007262185355
                3d
                   -2 :              -0.00000096116365
                   -1 :              -0.00000554570222
                   +0 :               0.00001047254057
                   +1 :              -0.00002463665377
                   +2 :               0.00001252315052
             10 vec=    12.757133      7.607596     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00003567435884
                2s
                   +0 :              -0.00051603037793
                3s
                   +0 :              -0.00001077988538
                2p
                   -1 :              -0.00005707308377
                   +0 :              -0.00014378937459
                   +1 :              -0.00009129418744
                3p
                   -1 :              -0.00007982798666
                   +0 :               0.00008030460620
                   +1 :              -0.00004903077516
                3d
                   -2 :              -0.00001583047395
                   -1 :              -0.00001331752994
                   +0 :              -0.00000138274927
                   +1 :              -0.00001305754930
                   +2 :              -0.00000183914431
             11 vec=     4.976970    -14.851799     -5.671791   |vec|=   16.658793
                1s
                   +0 :              -0.00017213256308
                2s
                   +0 :               0.00185572360959
                3s
                   +0 :              -0.00024074491107
                2p
                   -1 :              -0.00061820207545
                   +0 :              -0.00010283746759
                   +1 :               0.00033068916629
                3p
                   -1 :               0.00014981537536
                   +0 :              -0.00020141269518
                   +1 :              -0.00016417366503
                3d
                   -2 :              -0.00000100326524
                   -1 :               0.00004425418462
                   +0 :               0.00002388227938
                   +1 :               0.00000596069476
                   +2 :              -0.00001558793936
             12 vec=   -10.583355     12.099475     -5.671791   |vec|=   17.046229
                1s
                   +0 :               0.00009354831273
                2s
                   +0 :              -0.00088662016188
                3s
                   +0 :               0.00015117391092
                2p
                   -1 :              -0.00015774732505
                   +0 :               0.00002241558879
                   +1 :               0.00011208562855
                3p
                   -1 :               0.00003311620199
                   +0 :               0.00004904816087
                   +1 :               0.00000827988103
                3d
                   -2 :              -0.00001089151842
                   -1 :              -0.00000905104723
                   +0 :              -0.00002065867264
                   +1 :              -0.00001143652649
                   +2 :               0.00000491327502
             13 vec=    12.757133    -10.359920     -5.671791   |vec|=   17.385097
                1s
                   +0 :              -0.00001662284639
                2s
                   +0 :               0.00020934497935
                3s
                   +0 :              -0.00001594096918
                2p
                   -1 :               0.00006838718271
                   +0 :               0.00005704545251
                   +1 :               0.00022134219319
                3p
                   -1 :              -0.00000352282655
                   +0 :              -0.00002126365365
                   +1 :              -0.00006513699722
                3d
                   -2 :               0.00000990656895
                   -1 :               0.00000895575947
                   +0 :              -0.00000034624245
                   +1 :               0.00000115522079
                   +2 :              -0.00000417700531
             14 vec=    -2.803193     16.591354     -5.671791   |vec|=   17.756693
                1s
                   +0 :               0.00001751981211
                2s
                   +0 :              -0.00015674050195
                3s
                   +0 :              -0.00000407016495
                2p
                   -1 :              -0.00007750611681
                   +0 :              -0.00021865915011
                   +1 :              -0.00000178002864
                3p
                   -1 :               0.00001400760766
                   +0 :               0.00010228826228
                   +1 :              -0.00000519959640
                3d
                   -2 :              -0.00000305202317
                   -1 :               0.00000073987188
                   +0 :              -0.00000071465137
                   +1 :              -0.00000940612575
                   +2 :               0.00000190123905
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 26)  npairs=  14
              1 vec=     0.209805      3.115717     -5.671791   |vec|=    6.474637
                1s
                   +0 :               0.00040730339062
                2s
                   +0 :              -0.00254378243208
                3s
                   +0 :               0.00116748685327
                2p
                   -1 :               0.00470422159470
                   +0 :               0.00053246971615
                   +1 :               0.00647906798778
                3p
                   -1 :              -0.00456902216417
                   +0 :               0.00165441940347
                   +1 :              -0.00548066568481
                3d
                   -2 :               0.00005347380574
                   -1 :               0.00026162730058
                   +0 :              -0.00003338839500
                   +1 :               0.00010197394369
                   +2 :               0.00036655951358
              2 vec=     0.209805     -5.868041     -5.671791   |vec|=    8.163770
                1s
                   +0 :              -0.00207812205384
                2s
                   +0 :               0.01912881431524
                3s
                   +0 :              -0.00258597139861
                2p
                   -1 :              -0.00212742702719
                   +0 :              -0.00884886756127
                   +1 :              -0.00378150667850
                3p
                   -1 :               0.00254339962938
                   +0 :              -0.00095100366376
                   +1 :               0.00399091193869
                3d
                   -2 :              -0.00032732836039
                   -1 :               0.00040047443574
                   +0 :               0.00147059329377
                   +1 :              -0.00023313769236
                   +2 :               0.00015729103690
              3 vec=    -7.570358     -1.376162     -5.671791   |vec|=    9.558941
                1s
                   +0 :              -0.00004465104848
                2s
                   +0 :              -0.00083408066861
                3s
                   +0 :              -0.00033537293404
                2p
                   -1 :               0.00195391579946
                   +0 :               0.00087531331128
                   +1 :              -0.00034766719279
                3p
                   -1 :              -0.00055077866304
                   +0 :              -0.00065640240483
                   +1 :               0.00091531041840
                3d
                   -2 :              -0.00004800053228
                   -1 :               0.00007912767173
                   +0 :               0.00011303860660
                   +1 :              -0.00004500977687
                   +2 :              -0.00016793850406
              4 vec=     7.989968     -1.376162     -5.671791   |vec|=    9.894576
                1s
                   +0 :               0.00012621100399
                2s
                   +0 :              -0.00221642042654
                3s
                   +0 :              -0.00014278152653
                2p
                   -1 :               0.00078261747664
                   +0 :               0.00063485230588
                   +1 :              -0.00222223596695
                3p
                   -1 :               0.00025758356601
                   +0 :              -0.00010887970415
                   +1 :               0.00113045581717
                3d
                   -2 :               0.00008383623868
                   -1 :              -0.00003165309759
                   +0 :               0.00009268601473
                   +1 :              -0.00000345752259
                   +2 :              -0.00015163531344
              5 vec=    -7.570358      7.607596     -5.671791   |vec|=   12.138989
                1s
                   +0 :               0.00018005596453
                2s
                   +0 :              -0.00256585206929
                3s
                   +0 :               0.00009349968352
                2p
                   -1 :              -0.00042848266005
                   +0 :               0.00038937581639
                   +1 :               0.00093394809275
                3p
                   -1 :              -0.00005094501795
                   +0 :               0.00013627475669
                   +1 :              -0.00016904301820
                3d
                   -2 :               0.00003979451487
                   -1 :              -0.00003922199689
                   +0 :              -0.00005897987421
                   +1 :              -0.00008848166731
                   +2 :               0.00001461109561
              6 vec=     7.989968      7.607596     -5.671791   |vec|=   12.405012
                1s
                   +0 :               0.00021327081810
                2s
                   +0 :              -0.00216166485663
                3s
                   +0 :               0.00035402546449
                2p
                   -1 :              -0.00043004948508
                   +0 :              -0.00019113289028
                   +1 :              -0.00047535541816
                3p
                   -1 :              -0.00006823743890
                   +0 :               0.00003973306981
                   +1 :               0.00008005489300
                3d
                   -2 :              -0.00003154998632
                   -1 :               0.00000333622253
                   +0 :               0.00003473157689
                   +1 :              -0.00000804228883
                   +2 :               0.00000072350068
              7 vec=     0.209805     12.099475     -5.671791   |vec|=   13.364525
                1s
                   +0 :               0.00004456616425
                2s
                   +0 :              -0.00042117046346
                3s
                   +0 :               0.00011685349191
                2p
                   -1 :              -0.00028453238802
                   +0 :              -0.00065478107523
                   +1 :               0.00022633585597
                3p
                   -1 :               0.00017267969773
                   +0 :               0.00025042408284
                   +1 :              -0.00036674240593
                3d
                   -2 :              -0.00001204545620
                   -1 :              -0.00001603238441
                   +0 :              -0.00000556045147
                   +1 :               0.00004760940235
                   +2 :               0.00002275024365
              8 vec=    -7.570358    -10.359920     -5.671791   |vec|=   14.028809
                1s
                   +0 :              -0.00019311519278
                2s
                   +0 :               0.00237692297819
                3s
                   +0 :              -0.00026364809832
                2p
                   -1 :              -0.00043515622943
                   +0 :               0.00002269047519
                   +1 :              -0.00080102040010
                3p
                   -1 :               0.00001910507513
                   +0 :              -0.00044793797826
                   +1 :              -0.00014891278559
                3d
                   -2 :               0.00003095927804
                   -1 :              -0.00000569904776
                   +0 :              -0.00007969580458
                   +1 :               0.00008713550816
                   +2 :               0.00001521544918
              9 vec=     7.989968    -10.359920     -5.671791   |vec|=   14.259619
                1s
                   +0 :              -0.00015301521314
                2s
                   +0 :               0.00144871962664
                3s
                   +0 :              -0.00036615587167
                2p
                   -1 :               0.00013286322208
                   +0 :               0.00004795667989
                   +1 :               0.00071551163549
                3p
                   -1 :              -0.00008775565811
                   +0 :              -0.00007429358041
                   +1 :              -0.00010327868136
                3d
                   -2 :              -0.00000913983243
                   -1 :              -0.00003255514593
                   +0 :              -0.00003887235278
                   +1 :               0.00001274481325
                   +2 :              -0.00001588501741
             10 vec=     0.209805    -14.851799     -5.671791   |vec|=   15.899345
                1s
                   +0 :              -0.00005084140188
                2s
                   +0 :               0.00082486948614
                3s
                   +0 :               0.00007199916671
                2p
                   -1 :              -0.00015415731242
                   +0 :               0.00042027661682
                   +1 :              -0.00030546638736
                3p
                   -1 :              -0.00018543387414
                   +0 :              -0.00021915330499
                   +1 :               0.00022845026429
                3d
                   -2 :              -0.00000959162106
                   -1 :              -0.00003816905217
                   +0 :              -0.00000423839949
                   +1 :               0.00001666752315
                   +2 :              -0.00002429577399
             11 vec=   -15.350520      3.115717     -5.671791   |vec|=   16.658793
                1s
                   +0 :               0.00010608640118
                2s
                   +0 :              -0.00112750840123
                3s
                   +0 :               0.00015779485332
                2p
                   -1 :              -0.00007661468089
                   +0 :               0.00019765330198
                   +1 :               0.00035797443582
                3p
                   -1 :              -0.00003221070425
                   +0 :               0.00009559069816
                   +1 :              -0.00009155678979
                3d
                   -2 :               0.00000656642523
                   -1 :               0.00001832163061
                   +0 :              -0.00002263278791
                   +1 :              -0.00002233475704
                   +2 :              -0.00000212150746
             12 vec=    15.770130      3.115717     -5.671791   |vec|=   17.046229
                1s
                   +0 :               0.00012265910488
                2s
                   +0 :              -0.00120477893305
                3s
                   +0 :               0.00022671416603
                2p
                   -1 :               0.00009333113693
                   +0 :               0.00038844432033
                   +1 :              -0.00025316075421
                3p
                   -1 :              -0.00015926256051
                   +0 :              -0.00014773885700
                   +1 :               0.00004098848180
                3d
                   -2 :               0.00000002458429
                   -1 :               0.00001138433664
                   +0 :              -0.00001897145649
                   +1 :              -0.00000544375471
                   +2 :               0.00000935789495
             13 vec=   -15.350520     -5.868041     -5.671791   |vec|=   17.385097
                1s
                   +0 :              -0.00000968143319
                2s
                   +0 :               0.00004191244489
                3s
                   +0 :              -0.00004248223947
                2p
                   -1 :               0.00023034648840
                   +0 :               0.00008018200919
                   +1 :              -0.00017112625565
                3p
                   -1 :              -0.00004805186677
                   +0 :              -0.00003571275106
                   +1 :               0.00009338508572
                3d
                   -2 :               0.00000688536286
                   -1 :              -0.00000158421364
                   +0 :               0.00000395316501
                   +1 :              -0.00000498320198
                   +2 :               0.00000261772054
             14 vec=    15.770130     -5.868041     -5.671791   |vec|=   17.756693
                1s
                   +0 :               0.00001567267701
                2s
                   +0 :              -0.00022180163316
                3s
                   +0 :               0.00002575266243
                2p
                   -1 :               0.00016226904230
                   +0 :               0.00006107325069
                   +1 :              -0.00001345358253
                3p
                   -1 :               0.00004251049026
                   +0 :              -0.00000497675363
                   +1 :               0.00002129501336
                3d
                   -2 :               0.00000263340371
                   -1 :               0.00000207295699
                   +0 :              -0.00000534318692
                   +1 :              -0.00000371952964
                   +2 :               0.00001859375693
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 27)  npairs=  14
              1 vec=     2.593388     -1.739555     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00021476207277
                2s
                   +0 :               0.00103015838126
                3s
                   +0 :              -0.00116710345976
                2p
                   -1 :               0.00168655863054
                   +0 :               0.00028397497203
                   +1 :              -0.00169651851746
                3p
                   -1 :              -0.00123761866284
                   +0 :              -0.00055601213927
                   +1 :               0.00171233964786
                3d
                   -2 :              -0.00047116667646
                   -1 :               0.00031502117869
                   +0 :              -0.00007728065900
                   +1 :               0.00016640361877
                   +2 :              -0.00018155807788
              2 vec=    -5.186775      2.752324     -5.671791   |vec|=    8.163770
                1s
                   +0 :               0.00122465441402
                2s
                   +0 :              -0.01161220655716
                3s
                   +0 :               0.00151652765364
                2p
                   -1 :              -0.00387144634673
                   +0 :               0.00691884116263
                   +1 :              -0.00156750279523
                3p
                   -1 :               0.00234786563936
                   +0 :              -0.00005025592853
                   +1 :               0.00047880894830
                3d
                   -2 :              -0.00000286957024
                   -1 :              -0.00001519372578
                   +0 :              -0.00078783860919
                   +1 :              -0.00033020177956
                   +2 :               0.00010604413404
              3 vec=     2.593388      7.244203     -5.671791   |vec|=    9.558941
                1s
                   +0 :               0.00019239856804
                2s
                   +0 :              -0.00132854819180
                3s
                   +0 :               0.00036123678072
                2p
                   -1 :              -0.00133023268192
                   +0 :              -0.00272554591555
                   +1 :               0.00029038717365
                3p
                   -1 :               0.00092342920776
                   +0 :               0.00181309335046
                   +1 :               0.00025477031196
                3d
                   -2 :               0.00006859325385
                   -1 :               0.00019018281843
                   +0 :              -0.00005121526977
                   +1 :               0.00000371145867
                   +2 :              -0.00013004722880
              4 vec=    -5.186775     -6.231434     -5.671791   |vec|=    9.894576
                1s
                   +0 :              -0.00024448581749
                2s
                   +0 :               0.00397021857626
                3s
                   +0 :               0.00024261395895
                2p
                   -1 :               0.00030945841715
                   +0 :              -0.00097731880018
                   +1 :              -0.00163029366998
                3p
                   -1 :              -0.00048528476574
                   +0 :              -0.00029368307219
                   +1 :              -0.00033377686659
                3d
                   -2 :               0.00016569536994
                   -1 :              -0.00003190458834
                   +0 :              -0.00014950378775
                   +1 :               0.00005373693133
                   +2 :               0.00002046731394
              5 vec=    10.373550      2.752324     -5.671791   |vec|=   12.138989
                1s
                   +0 :               0.00011049565761
                2s
                   +0 :              -0.00219998784314
                3s
                   +0 :              -0.00016890923640
                2p
                   -1 :              -0.00057426438198
                   +0 :               0.00132755709077
                   +1 :               0.00010027149618
                3p
                   -1 :               0.00011679170652
                   +0 :              -0.00011127699927
                   +1 :              -0.00042010345083
                3d
                   -2 :               0.00001605620534
                   -1 :               0.00005493752049
                   +0 :              -0.00002095646654
                   +1 :               0.00003008796411
                   +2 :               0.00000494302836
              6 vec=     2.593388    -10.723313     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00045462704992
                2s
                   +0 :               0.00479368859229
                3s
                   +0 :              -0.00077604836416
                2p
                   -1 :              -0.00118929200007
                   +0 :              -0.00025449522240
                   +1 :               0.00028224185992
                3p
                   -1 :               0.00008479760274
                   +0 :               0.00009312397697
                   +1 :               0.00001716002106
                3d
                   -2 :              -0.00000755197238
                   -1 :              -0.00004693029724
                   +0 :              -0.00002753933960
                   +1 :              -0.00000097710013
                   +2 :               0.00000566630698
              7 vec=    10.373550     -6.231434     -5.671791   |vec|=   13.364525
                1s
                   +0 :               0.00000371204315
                2s
                   +0 :               0.00004816374077
                3s
                   +0 :               0.00006666369462
                2p
                   -1 :               0.00078200902673
                   +0 :               0.00052806780734
                   +1 :               0.00091865320704
                3p
                   -1 :              -0.00024675431883
                   +0 :              -0.00038038182536
                   +1 :              -0.00037743523036
                3d
                   -2 :              -0.00001087717037
                   -1 :               0.00000411799215
                   +0 :              -0.00000404122196
                   +1 :              -0.00000893470859
                   +2 :               0.00003430584024
              8 vec=    -5.186775     11.736082     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00009962272332
                2s
                   +0 :              -0.00104084414485
                3s
                   +0 :               0.00019112471320
                2p
                   -1 :              -0.00072631283495
                   +0 :              -0.00042131597452
                   +1 :              -0.00042015598508
                3p
                   -1 :               0.00025230435375
                   +0 :               0.00046701592801
                   +1 :               0.00015375924504
                3d
                   -2 :              -0.00001816742827
                   -1 :               0.00003753659641
                   +0 :               0.00002311108599
                   +1 :               0.00002478518439
                   +2 :              -0.00001232584447
              9 vec=   -12.966938     -1.739555     -5.671791   |vec|=   14.259619
                1s
                   +0 :               0.00012662784182
                2s
                   +0 :              -0.00123928352358
                3s
                   +0 :               0.00029156970995
                2p
                   -1 :               0.00043854296082
                   +0 :               0.00040771968628
                   +1 :               0.00056865196726
                3p
                   -1 :              -0.00014034928677
                   +0 :              -0.00013752006073
                   +1 :              -0.00013305986273
                3d
                   -2 :               0.00001955169706
                   -1 :               0.00001332287599
                   +0 :               0.00002839981221
                   +1 :               0.00001744494414
                   +2 :              -0.00000876386838
             10 vec=   -12.966938      7.244203     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00001516704304
                2s
                   +0 :              -0.00030883910822
                3s
                   +0 :              -0.00006121928132
                2p
                   -1 :              -0.00029109376401
                   +0 :              -0.00027648724222
                   +1 :              -0.00011430287908
                3p
                   -1 :               0.00010767469883
                   +0 :               0.00013884869879
                   +1 :               0.00018116712591
                3d
                   -2 :               0.00000673696428
                   -1 :              -0.00000000062318
                   +0 :               0.00000562114876
                   +1 :               0.00002332703650
                   +2 :              -0.00000766445406
             11 vec=    10.373550     11.736082     -5.671791   |vec|=   16.658793
                1s
                   +0 :               0.00006604616191
                2s
                   +0 :              -0.00072821520836
                3s
                   +0 :               0.00008295005774
                2p
                   -1 :              -0.00032377864161
                   +0 :              -0.00009481583439
                   +1 :              -0.00012469664099
                3p
                   -1 :               0.00012169039426
                   +0 :               0.00010582199703
                   +1 :               0.00002977398168
                3d
                   -2 :              -0.00000888069213
                   -1 :               0.00000678332754
                   +0 :              -0.00000124949147
                   +1 :               0.00001427121942
                   +2 :              -0.00000229917917
             12 vec=    -5.186775    -15.215192     -5.671791   |vec|=   17.046229
                1s
                   +0 :              -0.00021620741760
                2s
                   +0 :               0.00209139909493
                3s
                   +0 :              -0.00037788807695
                2p
                   -1 :              -0.00034852074017
                   +0 :              -0.00041085990913
                   +1 :              -0.00028797788924
                3p
                   -1 :              -0.00003474670006
                   +0 :               0.00009869069613
                   +1 :               0.00019123907689
                3d
                   -2 :              -0.00000928262084
                   -1 :               0.00000635653731
                   +0 :               0.00003963012913
                   +1 :              -0.00002613770216
                   +2 :               0.00001658920723
             13 vec=     2.593388     16.227961     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00002630427958
                2s
                   +0 :              -0.00025125742424
                3s
                   +0 :               0.00005842320866
                2p
                   -1 :              -0.00019052081132
                   +0 :              -0.00013722746171
                   +1 :              -0.00011515290433
                3p
                   -1 :               0.00011149680423
                   +0 :               0.00005697640471
                   +1 :               0.00005268732428
                3d
                   -2 :               0.00000251156071
                   -1 :              -0.00000163025715
                   +0 :              -0.00000360692255
                   +1 :               0.00000721389388
                   +2 :              -0.00000339608360
             14 vec=   -12.966938    -10.723313     -5.671791   |vec|=   17.756693
                1s
                   +0 :              -0.00003319248912
                2s
                   +0 :               0.00037854213511
                3s
                   +0 :              -0.00002168249748
                2p
                   -1 :               0.00003227186852
                   +0 :               0.00015758589942
                   +1 :              -0.00021526818456
                3p
                   -1 :               0.00005120405408
                   +0 :              -0.00009731150864
                   +1 :              -0.00001663651192
                3d
                   -2 :              -0.00001466545426
                   -1 :               0.00000633115113
                   +0 :               0.00000605783829
                   +1 :              -0.00000771731327
                   +2 :               0.00001517122210
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 28)  npairs=  13
              1 vec=     0.209286     -3.115418      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00084386467100
                2s
                   +0 :              -0.00427939254757
                3s
                   +0 :               0.00298060538191
                2p
                   -1 :               0.00231193444735
                   +0 :              -0.00250375403303
                   +1 :              -0.00230695099062
                3p
                   -1 :              -0.00130396324255
                   +0 :               0.00422713070096
                   +1 :               0.00204525563866
                3d
                   -2 :              -0.00008641194749
                   -1 :              -0.00013900392370
                   +0 :               0.00098501506509
                   +1 :               0.00010187395786
                   +2 :              -0.00035726111036
              2 vec=     0.209286      5.868340      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00305301664951
                2s
                   +0 :               0.02803716119717
                3s
                   +0 :              -0.00308605529091
                2p
                   -1 :               0.00966655944283
                   +0 :               0.01720292074079
                   +1 :              -0.00422180199766
                3p
                   -1 :              -0.00068913126090
                   +0 :              -0.00022587242549
                   +1 :               0.00393384177166
                3d
                   -2 :               0.00018771916970
                   -1 :               0.00166901900547
                   +0 :               0.00124798329004
                   +1 :               0.00035922718523
                   +2 :              -0.00048902741029
              3 vec=    -7.570876      1.376461      6.601980   |vec|=   10.138982
                1s
                   +0 :               0.00017061815475
                2s
                   +0 :              -0.00226865811117
                3s
                   +0 :               0.00019744278205
                2p
                   -1 :              -0.00086415448391
                   +0 :              -0.00248049249208
                   +1 :              -0.00102444559420
                3p
                   -1 :              -0.00008477339554
                   +0 :               0.00017530499605
                   +1 :               0.00137304088679
                3d
                   -2 :              -0.00003647313925
                   -1 :              -0.00001178593219
                   +0 :              -0.00002236316719
                   +1 :               0.00022448084853
                   +2 :              -0.00002932065387
              4 vec=     7.989449      1.376461      6.601980   |vec|=   10.455242
                1s
                   +0 :               0.00022672121152
                2s
                   +0 :              -0.00197497622778
                3s
                   +0 :               0.00007375919803
                2p
                   -1 :              -0.00170196674320
                   +0 :               0.00029057128788
                   +1 :              -0.00068848412553
                3p
                   -1 :               0.00053048105152
                   +0 :              -0.00154941950988
                   +1 :               0.00002111343966
                3d
                   -2 :              -0.00004690736114
                   -1 :              -0.00007658147168
                   +0 :              -0.00009346559795
                   +1 :              -0.00015535786959
                   +2 :               0.00008191679362
              5 vec=    -7.570876     -7.607297      6.601980   |vec|=   12.600606
                1s
                   +0 :               0.00008009378783
                2s
                   +0 :              -0.00107319554065
                3s
                   +0 :              -0.00006736138271
                2p
                   -1 :               0.00040825245514
                   +0 :               0.00054205426715
                   +1 :              -0.00011475657919
                3p
                   -1 :               0.00036312826393
                   +0 :              -0.00014592514195
                   +1 :               0.00013624079368
                3d
                   -2 :              -0.00006054407780
                   -1 :              -0.00004462662404
                   +0 :              -0.00001094375198
                   +1 :              -0.00001180300761
                   +2 :               0.00003441057173
              6 vec=     7.989449     -7.607297      6.601980   |vec|=   12.856453
                1s
                   +0 :               0.00018788610863
                2s
                   +0 :              -0.00180290771963
                3s
                   +0 :               0.00033097596952
                2p
                   -1 :               0.00041025475570
                   +0 :               0.00010444375702
                   +1 :               0.00056736622271
                3p
                   -1 :               0.00014151561053
                   +0 :               0.00009950683565
                   +1 :              -0.00060294645117
                3d
                   -2 :              -0.00002076251937
                   -1 :              -0.00004730237451
                   +0 :              -0.00004814455051
                   +1 :              -0.00000285993665
                   +2 :              -0.00000957225114
              7 vec=     0.209286    -12.099176      6.601980   |vec|=   13.784774
                1s
                   +0 :              -0.00014927327182
                2s
                   +0 :               0.00137819207159
                3s
                   +0 :              -0.00031220030386
                2p
                   -1 :              -0.00057627935404
                   +0 :               0.00107011130465
                   +1 :              -0.00015230672479
                3p
                   -1 :               0.00037674044698
                   +0 :              -0.00016726417822
                   +1 :               0.00019958522427
                3d
                   -2 :               0.00000921153270
                   -1 :              -0.00001008952685
                   +0 :               0.00000841123072
                   +1 :              -0.00001519617627
                   +2 :              -0.00001274907860
              8 vec=    -7.570876     10.360219      6.601980   |vec|=   14.430470
                1s
                   +0 :              -0.00009589216253
                2s
                   +0 :               0.00123022072876
                3s
                   +0 :              -0.00017305508928
                2p
                   -1 :               0.00028720605530
                   +0 :              -0.00004252381343
                   +1 :              -0.00057444974357
                3p
                   -1 :              -0.00015118261519
                   +0 :               0.00001104825591
                   +1 :              -0.00001615634503
                3d
                   -2 :               0.00000119561446
                   -1 :               0.00002192644642
                   +0 :              -0.00005165495428
                   +1 :              -0.00000113569640
                   +2 :              -0.00000633489755
              9 vec=     7.989449     10.360219      6.601980   |vec|=   14.654405
                1s
                   +0 :              -0.00015226298358
                2s
                   +0 :               0.00128427502637
                3s
                   +0 :              -0.00031609596846
                2p
                   -1 :               0.00029648355153
                   +0 :              -0.00037134517836
                   +1 :               0.00073614042897
                3p
                   -1 :              -0.00037901547121
                   +0 :               0.00028302996312
                   +1 :              -0.00012781103172
                3d
                   -2 :               0.00000062757229
                   -1 :              -0.00001810599870
                   +0 :              -0.00001094602525
                   +1 :               0.00003867250240
                   +2 :               0.00001586403086
             10 vec=     0.209286     14.852098      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00015598483684
                2s
                   +0 :               0.00154080898948
                3s
                   +0 :              -0.00028343100987
                2p
                   -1 :               0.00074921520739
                   +0 :               0.00001003777546
                   +1 :              -0.00057704466553
                3p
                   -1 :              -0.00030052486759
                   +0 :               0.00006824334438
                   +1 :               0.00042684777212
                3d
                   -2 :               0.00003056454563
                   -1 :               0.00001902652664
                   +0 :               0.00000334656610
                   +1 :               0.00000383400932
                   +2 :              -0.00000003399929
             11 vec=   -15.351039     -3.115418      6.601980   |vec|=   16.998422
                1s
                   +0 :               0.00010927745283
                2s
                   +0 :              -0.00122075438322
                3s
                   +0 :               0.00018864260024
                2p
                   -1 :               0.00007504151434
                   +0 :              -0.00025548732611
                   +1 :               0.00069929279689
                3p
                   -1 :               0.00002984163421
                   +0 :               0.00006120948707
                   +1 :              -0.00028475155114
                3d
                   -2 :              -0.00001447068025
                   -1 :              -0.00000333920333
                   +0 :              -0.00001178899750
                   +1 :               0.00000162747909
                   +2 :               0.00000088838162
             12 vec=    15.769612     -3.115418      6.601980   |vec|=   17.377359
                1s
                   +0 :               0.00012595060982
                2s
                   +0 :              -0.00127058027216
                3s
                   +0 :               0.00020511642408
                2p
                   -1 :               0.00032053736846
                   +0 :              -0.00031977961786
                   +1 :              -0.00017228168020
                3p
                   -1 :              -0.00014764997537
                   +0 :               0.00006544439808
                   +1 :              -0.00013123700759
                3d
                   -2 :              -0.00000440755614
                   -1 :              -0.00000468023049
                   +0 :              -0.00000523048578
                   +1 :              -0.00001119199203
                   +2 :              -0.00001018215453
             13 vec=   -15.351039      5.868340      6.601980   |vec|=   17.710956
                1s
                   +0 :               0.00003252957927
                2s
                   +0 :              -0.00036134049701
                3s
                   +0 :               0.00005968051152
                2p
                   -1 :              -0.00008600439815
                   +0 :              -0.00012571290790
                   +1 :               0.00012883748906
                3p
                   -1 :              -0.00001509807898
                   +0 :               0.00001692717043
                   +1 :              -0.00010011921314
                3d
                   -2 :              -0.00000404567617
                   -1 :              -0.00001038783561
                   +0 :              -0.00000613625264
                   +1 :              -0.00000617068102
                   +2 :               0.00000581315783
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 29)  npairs=  13
              1 vec=    -2.802674      1.376461      6.601980   |vec|=    7.303134
                1s
                   +0 :              -0.00081689259095
                2s
                   +0 :               0.00316676358652
                3s
                   +0 :              -0.00288115483301
                2p
                   -1 :              -0.00939373577318
                   +0 :              -0.00683828149873
                   +1 :              -0.00499756104528
                3p
                   -1 :               0.00072380147836
                   +0 :               0.00232812398148
                   +1 :              -0.00059039716024
                3d
                   -2 :               0.00030529813442
                   -1 :              -0.00091317052305
                   +0 :              -0.00042780285913
                   +1 :              -0.00046302042174
                   +2 :               0.00027703859137
              2 vec=     4.977489     -3.115418      6.601980   |vec|=    8.835573
                1s
                   +0 :               0.00165535967627
                2s
                   +0 :              -0.01388437315754
                3s
                   +0 :               0.00167693712009
                2p
                   -1 :               0.00012481959421
                   +0 :              -0.00515367446746
                   +1 :              -0.00392673695957
                3p
                   -1 :               0.00256982939844
                   +0 :              -0.00214708266719
                   +1 :               0.00096933921868
                3d
                   -2 :               0.00033751676546
                   -1 :               0.00077294491726
                   +0 :              -0.00071982387855
                   +1 :              -0.00062877270721
                   +2 :               0.00001179826152
              3 vec=     4.977489      5.868340      6.601980   |vec|=   10.138982
                1s
                   +0 :               0.00006849255778
                2s
                   +0 :               0.00064610643212
                3s
                   +0 :               0.00070185522088
                2p
                   -1 :              -0.00133851698252
                   +0 :               0.00006288694629
                   +1 :               0.00183437421089
                3p
                   -1 :               0.00073465659224
                   +0 :               0.00128499898990
                   +1 :               0.00044196315907
                3d
                   -2 :              -0.00001569144062
                   -1 :               0.00004928914545
                   +0 :               0.00001063670598
                   +1 :               0.00035424007932
                   +2 :               0.00005807161835
              4 vec=    -2.802674     -7.607297      6.601980   |vec|=   10.455242
                1s
                   +0 :               0.00001780291617
                2s
                   +0 :              -0.00039301936956
                3s
                   +0 :              -0.00003567964456
                2p
                   -1 :               0.00209291219917
                   +0 :               0.00043772908199
                   +1 :              -0.00088540832268
                3p
                   -1 :              -0.00076307496929
                   +0 :               0.00017271624014
                   +1 :               0.00012909101280
                3d
                   -2 :               0.00000962408384
                   -1 :              -0.00008596940170
                   +0 :              -0.00001060697447
                   +1 :              -0.00008136054010
                   +2 :               0.00004175164453
              5 vec=    -2.802674     10.360219      6.601980   |vec|=   12.600606
                1s
                   +0 :              -0.00026589187798
                2s
                   +0 :               0.00366939625111
                3s
                   +0 :               0.00010202506560
                2p
                   -1 :               0.00137825701300
                   +0 :              -0.00029859672627
                   +1 :              -0.00054094538192
                3p
                   -1 :              -0.00030701680995
                   +0 :               0.00042656675255
                   +1 :              -0.00044624788735
                3d
                   -2 :              -0.00011790620665
                   -1 :              -0.00005908051216
                   +0 :               0.00008556116042
                   +1 :               0.00005826921797
                   +2 :              -0.00004854519783
              6 vec=   -10.582837     -3.115418      6.601980   |vec|=   12.856453
                1s
                   +0 :               0.00038301255524
                2s
                   +0 :              -0.00356200749450
                3s
                   +0 :               0.00065570893071
                2p
                   -1 :              -0.00068796378941
                   +0 :              -0.00055058581831
                   +1 :               0.00087056894391
                3p
                   -1 :               0.00063127895274
                   +0 :               0.00028565720610
                   +1 :               0.00007049837778
                3d
                   -2 :               0.00002949136880
                   -1 :               0.00004247865078
                   +0 :              -0.00004531436156
                   +1 :              -0.00007287003526
                   +2 :              -0.00004216639665
              7 vec=   -10.582837      5.868340      6.601980   |vec|=   13.784774
                1s
                   +0 :               0.00008414760256
                2s
                   +0 :              -0.00074374568329
                3s
                   +0 :               0.00017588420795
                2p
                   -1 :              -0.00065507028679
                   +0 :              -0.00052879364147
                   +1 :              -0.00012794035879
                3p
                   -1 :               0.00018223698568
                   +0 :               0.00013275659190
                   +1 :              -0.00003104042727
                3d
                   -2 :               0.00002686875170
                   -1 :               0.00002303855192
                   +0 :              -0.00002457882127
                   +1 :               0.00000499295633
                   +2 :               0.00003009172648
              8 vec=    12.757651      1.376461      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00009412245510
                2s
                   +0 :              -0.00111091918370
                3s
                   +0 :               0.00012035865524
                2p
                   -1 :              -0.00028398832697
                   +0 :               0.00017309692021
                   +1 :              -0.00015186076630
                3p
                   -1 :               0.00010025566566
                   +0 :              -0.00029691313833
                   +1 :              -0.00001669840214
                3d
                   -2 :               0.00002097270402
                   -1 :               0.00002203825302
                   +0 :               0.00002234279240
                   +1 :              -0.00003860424257
                   +2 :              -0.00000040750621
              9 vec=     4.977489    -12.099176      6.601980   |vec|=   14.654405
                1s
                   +0 :               0.00005574249327
                2s
                   +0 :              -0.00036549924961
                3s
                   +0 :               0.00010933894236
                2p
                   -1 :               0.00045592070569
                   +0 :               0.00028720072684
                   +1 :               0.00019822109692
                3p
                   -1 :              -0.00014163805196
                   +0 :              -0.00019535676881
                   +1 :               0.00004153297726
                3d
                   -2 :               0.00000119696590
                   -1 :               0.00002771725180
                   +0 :               0.00001517262335
                   +1 :               0.00003288189715
                   +2 :               0.00001986073765
             10 vec=    12.757651     -7.607297      6.601980   |vec|=   16.254684
                1s
                   +0 :               0.00008758397091
                2s
                   +0 :              -0.00081238437819
                3s
                   +0 :               0.00017763998999
                2p
                   -1 :               0.00003898668776
                   +0 :              -0.00005472503274
                   +1 :              -0.00037947940884
                3p
                   -1 :               0.00008393854476
                   +0 :               0.00000032704066
                   +1 :               0.00022470172314
                3d
                   -2 :               0.00000327146114
                   -1 :               0.00000473211773
                   +0 :              -0.00000170175414
                   +1 :               0.00000014879329
                   +2 :               0.00002461716339
             11 vec=     4.977489     14.852098      6.601980   |vec|=   16.998422
                1s
                   +0 :              -0.00017654718935
                2s
                   +0 :               0.00187169083534
                3s
                   +0 :              -0.00029645376918
                2p
                   -1 :               0.00092581748917
                   +0 :               0.00023232346044
                   +1 :               0.00059233415955
                3p
                   -1 :              -0.00037378924348
                   +0 :              -0.00009084558011
                   +1 :              -0.00035445398021
                3d
                   -2 :              -0.00001831212330
                   -1 :              -0.00001550018881
                   +0 :               0.00001725209333
                   +1 :               0.00000463384131
                   +2 :              -0.00002250053147
             12 vec=   -10.582837    -12.099176      6.601980   |vec|=   17.377359
                1s
                   +0 :               0.00000342100936
                2s
                   +0 :              -0.00009053166359
                3s
                   +0 :              -0.00002484110411
                2p
                   -1 :               0.00026387951847
                   +0 :               0.00032907320499
                   +1 :              -0.00014064977004
                3p
                   -1 :              -0.00012830884169
                   +0 :              -0.00016109719211
                   +1 :               0.00010662989711
                3d
                   -2 :               0.00000760752676
                   -1 :              -0.00000079025907
                   +0 :               0.00000222442720
                   +1 :               0.00000298434287
                   +2 :              -0.00000478050554
             13 vec=    12.757651     10.360219      6.601980   |vec|=   17.710956
                1s
                   +0 :               0.00000245264722
                2s
                   +0 :              -0.00001910055165
                3s
                   +0 :              -0.00000133455689
                2p
                   -1 :              -0.00020777790831
                   +0 :              -0.00021677708381
                   +1 :               0.00020404717489
                3p
                   -1 :               0.00006211707193
                   +0 :               0.00015061531331
                   +1 :              -0.00008865841376
                3d
                   -2 :              -0.00000629633606
                   -1 :               0.00000084741684
                   +0 :               0.00000511477501
                   +1 :               0.00000192328315
                   +2 :               0.00000090048132
WF             site_B          number of pairs
WF(  2)=[Cr 3dyz]  to site O ( 30)  npairs=  13
              1 vec=     2.593388      1.738956      6.601980   |vec|=    7.303134
                1s
                   +0 :              -0.00002697208004
                2s
                   +0 :               0.00111262896105
                3s
                   +0 :              -0.00009945054889
                2p
                   -1 :              -0.00587103732193
                   +0 :               0.00934203553176
                   +1 :               0.00648515176135
                3p
                   -1 :              -0.00257262316150
                   +0 :              -0.00655525468244
                   +1 :              -0.00102866652200
                3d
                   -2 :              -0.00043987656185
                   -1 :              -0.00101530010656
                   +0 :              -0.00055721220596
                   +1 :               0.00048987470986
                   +2 :               0.00029911962236
              2 vec=    -5.186775     -2.752923      6.601980   |vec|=    8.835573
                1s
                   +0 :               0.00139765697324
                2s
                   +0 :              -0.01415278803963
                3s
                   +0 :               0.00140911817082
                2p
                   -1 :               0.00515122333727
                   +0 :              -0.01204924627333
                   +1 :               0.00418911962659
                3p
                   -1 :              -0.00162698545170
                   +0 :               0.00237295509268
                   +1 :              -0.00037075222576
                3d
                   -2 :              -0.00017110978709
                   -1 :               0.00036534895557
                   +0 :              -0.00052815941149
                   +1 :               0.00064125016307
                   +2 :              -0.00010888605103
              3 vec=     2.593388     -7.244802      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00023911071253
                2s
                   +0 :               0.00162255167905
                3s
                   +0 :              -0.00089929800293
                2p
                   -1 :               0.00137447484284
                   +0 :               0.00241760554579
                   +1 :               0.00081577428274
                3p
                   -1 :              -0.00048139536675
                   +0 :              -0.00146030398595
                   +1 :               0.00019785483689
                3d
                   -2 :              -0.00010176621777
                   -1 :               0.00013112639687
                   +0 :               0.00001172646121
                   +1 :               0.00023646789515
                   +2 :               0.00003237296119
              4 vec=    -5.186775      6.230835      6.601980   |vec|=   10.455242
                1s
                   +0 :              -0.00024452412768
                2s
                   +0 :               0.00236799559734
                3s
                   +0 :              -0.00003807955347
                2p
                   -1 :               0.00002493137064
                   +0 :              -0.00072830036987
                   +1 :              -0.00407340779249
                3p
                   -1 :              -0.00002278563750
                   +0 :               0.00137670326974
                   +1 :               0.00119535460147
                3d
                   -2 :               0.00001614240082
                   -1 :              -0.00001719186955
                   +0 :               0.00010407257242
                   +1 :              -0.00011022901896
                   +2 :               0.00011079188654
              5 vec=    10.373550     -2.752923      6.601980   |vec|=   12.600606
                1s
                   +0 :               0.00018579809014
                2s
                   +0 :              -0.00259620071047
                3s
                   +0 :              -0.00003466368289
                2p
                   -1 :               0.00052416440410
                   +0 :              -0.00024345754088
                   +1 :              -0.00116789956944
                3p
                   -1 :              -0.00047639426820
                   +0 :              -0.00028064161061
                   +1 :               0.00042535911137
                3d
                   -2 :              -0.00001738333840
                   -1 :               0.00000883075935
                   +0 :              -0.00007461740844
                   +1 :               0.00003575053948
                   +2 :              -0.00005674437384
              6 vec=     2.593388     10.722714      6.601980   |vec|=   12.856453
                1s
                   +0 :              -0.00057089866387
                2s
                   +0 :               0.00536491521413
                3s
                   +0 :              -0.00098668490022
                2p
                   -1 :               0.00012372674220
                   +0 :               0.00044614206129
                   +1 :               0.00167005274228
                3p
                   -1 :               0.00096961761155
                   +0 :              -0.00038516404175
                   +1 :              -0.00069037153289
                3d
                   -2 :               0.00003259178274
                   -1 :              -0.00006304238578
                   +0 :               0.00009345891208
                   +1 :              -0.00011561763463
                   +2 :               0.00001765181990
              7 vec=    10.373550      6.230835      6.601980   |vec|=   13.784774
                1s
                   +0 :               0.00006512566926
                2s
                   +0 :              -0.00063444638830
                3s
                   +0 :               0.00013631609591
                2p
                   -1 :              -0.00059457292846
                   +0 :              -0.00054131766318
                   +1 :              -0.00007188859244
                3p
                   -1 :               0.00007976104333
                   +0 :               0.00003450758632
                   +1 :               0.00025271733711
                3d
                   -2 :              -0.00001906108332
                   -1 :               0.00002395881425
                   +0 :               0.00001616759054
                   +1 :              -0.00003379136777
                   +2 :               0.00002396292416
              8 vec=    -5.186775    -11.736681      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00000176970743
                2s
                   +0 :              -0.00011930154505
                3s
                   +0 :               0.00005269643404
                2p
                   -1 :               0.00036758165384
                   +0 :              -0.00013057310678
                   +1 :               0.00013151359061
                3p
                   -1 :              -0.00002593290999
                   +0 :               0.00028586488242
                   +1 :              -0.00023417931228
                3d
                   -2 :               0.00000595088776
                   -1 :              -0.00001046636311
                   +0 :               0.00002931216188
                   +1 :              -0.00001996679684
                   +2 :               0.00001375626010
              9 vec=   -12.966938      1.738956      6.601980   |vec|=   14.654405
                1s
                   +0 :               0.00009652049031
                2s
                   +0 :              -0.00091877577676
                3s
                   +0 :               0.00020675702610
                2p
                   -1 :              -0.00008964967814
                   +0 :               0.00008414445153
                   +1 :               0.00032910413713
                3p
                   -1 :              -0.00011367054783
                   +0 :              -0.00008767319431
                   +1 :              -0.00024871390259
                3d
                   -2 :              -0.00000254898052
                   -1 :              -0.00000020918470
                   +0 :              -0.00000422659811
                   +1 :              -0.00000390689924
                   +2 :               0.00001835549359
             10 vec=   -12.966938     -7.244802      6.601980   |vec|=   16.254684
                1s
                   +0 :               0.00006840086593
                2s
                   +0 :              -0.00072842461129
                3s
                   +0 :               0.00010579101988
                2p
                   -1 :               0.00056519747877
                   +0 :               0.00004468725728
                   +1 :               0.00013681390330
                3p
                   -1 :              -0.00028335677510
                   +0 :              -0.00006857038504
                   +1 :              -0.00000718033429
                3d
                   -2 :              -0.00000443052973
                   -1 :               0.00000868783148
                   +0 :              -0.00000164481196
                   +1 :               0.00001437072255
                   +2 :              -0.00001134492247
             11 vec=    10.373550    -11.736681      6.601980   |vec|=   16.998422
                1s
                   +0 :               0.00006726973653
                2s
                   +0 :              -0.00065093645212
                3s
                   +0 :               0.00010781116893
                2p
                   -1 :               0.00040780060466
                   +0 :               0.00002316386567
                   +1 :              -0.00009098012891
                3p
                   -1 :              -0.00023233787892
                   +0 :               0.00002963609304
                   +1 :               0.00002995182816
                3d
                   -2 :               0.00000386399113
                   -1 :              -0.00000681611001
                   +0 :              -0.00000546309583
                   +1 :               0.00001366238256
                   +2 :              -0.00001413286220
             12 vec=    -5.186775     15.214593      6.601980   |vec|=   17.377359
                1s
                   +0 :              -0.00012937161918
                2s
                   +0 :               0.00136111193575
                3s
                   +0 :              -0.00018027531997
                2p
                   -1 :               0.00031960248124
                   +0 :              -0.00000929358713
                   +1 :              -0.00010739858770
                3p
                   -1 :               0.00006801937366
                   +0 :               0.00009565279403
                   +1 :              -0.00002905346834
                3d
                   -2 :              -0.00000307797994
                   -1 :               0.00000954182138
                   +0 :               0.00000300605859
                   +1 :              -0.00000747263864
                   +2 :               0.00000292403699
             13 vec=     2.593388    -16.228560      6.601980   |vec|=   17.710956
                1s
                   +0 :              -0.00003498222648
                2s
                   +0 :               0.00038044104867
                3s
                   +0 :              -0.00005834595463
                2p
                   -1 :              -0.00008175765469
                   +0 :               0.00034248999171
                   +1 :               0.00027190128528
                3p
                   -1 :               0.00003343483989
                   +0 :              -0.00016754248374
                   +1 :              -0.00016125909569
                3d
                   -2 :              -0.00000091650346
                   -1 :               0.00000223936921
                   +0 :               0.00000102147763
                   +1 :              -0.00001185371298
                   +2 :               0.00000140769093
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al(  1)  npairs=  13
              1 vec=     0.000000      0.000000      5.021445   |vec|=    5.021445
                2s
                   +0 :               0.00006153090013
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00126415921161
                   +1 :              -0.00000000000000
                3s
                   +0 :              -0.00665714216320
                4s
                   +0 :               0.00319336004959
                3p
                   -1 :               0.00000000000000
                   +0 :               0.04964040611040
                   +1 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :              -0.00096013725626
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.03760366527869
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              2 vec=    -7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00003935802260
                2p
                   -1 :               0.00024883110460
                   +0 :              -0.00003013542902
                   +1 :               0.00014661817641
                3s
                   +0 :              -0.00010305738145
                4s
                   +0 :              -0.00077817918829
                3p
                   -1 :              -0.00046387263595
                   +0 :               0.00139111376631
                   +1 :              -0.00017682627087
                4p
                   -1 :               0.00010839257395
                   +0 :              -0.00028401927007
                   +1 :               0.00049027247675
                3d
                   -2 :               0.00004053661618
                   -1 :              -0.00055071010076
                   +0 :              -0.00040760800773
                   +1 :              -0.00051326654260
                   +2 :               0.00021269299400
              3 vec=    -7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00060198230143
                2p
                   -1 :               0.00032491805512
                   +0 :              -0.00003816449224
                   +1 :               0.00021295266487
                3s
                   +0 :               0.00620766757798
                4s
                   +0 :              -0.00108775867443
                3p
                   -1 :              -0.00042249650043
                   +0 :               0.00233283249758
                   +1 :              -0.00393903233758
                4p
                   -1 :               0.00050444849333
                   +0 :              -0.00024709438874
                   +1 :               0.00066383560868
                3d
                   -2 :              -0.00048637836962
                   -1 :               0.00028893614902
                   +0 :              -0.00016769567066
                   +1 :              -0.00068841326651
                   +2 :               0.00071228450175
              4 vec=     0.000000     -8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00060198230143
                2p
                   -1 :               0.00002196339002
                   +0 :              -0.00003816449224
                   +1 :              -0.00038786362232
                3s
                   +0 :               0.00620766757798
                4s
                   +0 :              -0.00108775867443
                3p
                   -1 :              -0.00320005382046
                   +0 :               0.00233283249758
                   +1 :               0.00233540887117
                4p
                   -1 :               0.00032267425439
                   +0 :              -0.00024709438874
                   +1 :              -0.00076878301446
                3d
                   -2 :              -0.00037366728843
                   -1 :              -0.00074065145161
                   +0 :              -0.00016769567066
                   +1 :               0.00009398058813
                   +2 :              -0.00077735827482
              5 vec=     0.000000      8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00003935802260
                2p
                   -1 :              -0.00025139061773
                   +0 :              -0.00003013542902
                   +1 :               0.00014218496963
                3s
                   +0 :              -0.00010305738145
                4s
                   +0 :              -0.00077817918829
                3p
                   -1 :               0.00038507236060
                   +0 :               0.00139111376631
                   +1 :              -0.00031331235142
                4p
                   -1 :              -0.00047878470662
                   +0 :              -0.00028401927007
                   +1 :              -0.00015126551575
                3d
                   -2 :               0.00016392922792
                   -1 :               0.00071985691518
                   +0 :              -0.00040760800773
                   +1 :              -0.00022029566608
                   +2 :              -0.00014145223640
              6 vec=     7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00003935802260
                2p
                   -1 :               0.00000255951313
                   +0 :              -0.00003013542902
                   +1 :              -0.00028880314604
                3s
                   +0 :              -0.00010305738145
                4s
                   +0 :              -0.00077817918829
                3p
                   -1 :               0.00007880027535
                   +0 :               0.00139111376631
                   +1 :               0.00049013862229
                4p
                   -1 :               0.00037039213266
                   +0 :              -0.00028401927007
                   +1 :              -0.00033900696100
                3d
                   -2 :              -0.00020446584410
                   -1 :              -0.00016914681442
                   +0 :              -0.00040760800773
                   +1 :               0.00073356220868
                   +2 :              -0.00007124075760
              7 vec=     7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00060198230143
                2p
                   -1 :              -0.00034688144514
                   +0 :              -0.00003816449224
                   +1 :               0.00017491095745
                3s
                   +0 :               0.00620766757798
                4s
                   +0 :              -0.00108775867443
                3p
                   -1 :               0.00362255032089
                   +0 :               0.00233283249758
                   +1 :               0.00160362346641
                4p
                   -1 :              -0.00082712274772
                   +0 :              -0.00024709438874
                   +1 :               0.00010494740578
                3d
                   -2 :               0.00086004565805
                   -1 :               0.00045171530259
                   +0 :              -0.00016769567066
                   +1 :               0.00059443267838
                   +2 :               0.00006507377306
              8 vec=   -15.560325     -0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00001988879795
                2p
                   -1 :               0.00006001885978
                   +0 :               0.00001672568513
                   +1 :               0.00001221307977
                3s
                   +0 :               0.00049808180812
                4s
                   +0 :              -0.00009222976914
                3p
                   -1 :              -0.00015112545775
                   +0 :               0.00033312853192
                   +1 :              -0.00029560944059
                4p
                   -1 :               0.00007512319156
                   +0 :              -0.00001408541975
                   +1 :               0.00010132589835
                3d
                   -2 :               0.00000725687361
                   -1 :               0.00002492533303
                   +0 :               0.00009081744205
                   +1 :              -0.00008628840990
                   +2 :               0.00003852390643
              9 vec=    -7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00004940402350
                2p
                   -1 :              -0.00002460475027
                   +0 :               0.00003147677040
                   +1 :              -0.00003053183453
                3s
                   +0 :               0.00029182019744
                4s
                   +0 :               0.00006147259613
                3p
                   -1 :              -0.00003675859218
                   +0 :               0.00018955861105
                   +1 :               0.00026237837008
                4p
                   -1 :              -0.00002135674396
                   +0 :               0.00006315182124
                   +1 :              -0.00006255542497
                3d
                   -2 :              -0.00006337571954
                   -1 :              -0.00011276760274
                   +0 :               0.00009573098050
                   +1 :               0.00005855066551
                   +2 :              -0.00000651520984
             10 vec=    -7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00004940402350
                2p
                   -1 :               0.00003874371946
                   +0 :               0.00003147677040
                   +1 :              -0.00000604242152
                3s
                   +0 :               0.00029182019744
                4s
                   +0 :               0.00006147259613
                3p
                   -1 :              -0.00020884703780
                   +0 :               0.00018955861105
                   +1 :              -0.00016302305967
                4p
                   -1 :               0.00006485295915
                   +0 :               0.00006315182124
                   +1 :               0.00001278222967
                3d
                   -2 :               0.00002604552254
                   -1 :               0.00000567743763
                   +0 :               0.00009573098050
                   +1 :              -0.00012693494145
                   +2 :               0.00005814258802
             11 vec=     7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00001988879795
                2p
                   -1 :              -0.00001943259255
                   +0 :               0.00001672568513
                   +1 :              -0.00005808439716
                3s
                   +0 :               0.00049808180812
                4s
                   +0 :              -0.00009222976914
                3p
                   -1 :              -0.00018044255627
                   +0 :               0.00033312853192
                   +1 :               0.00027868320587
                4p
                   -1 :               0.00005018920625
                   +0 :              -0.00001408541975
                   +1 :              -0.00011572154148
                3d
                   -2 :              -0.00003699111843
                   -1 :              -0.00008719062154
                   +0 :               0.00009081744205
                   +1 :               0.00002155823335
                   +2 :              -0.00001297731632
             12 vec=     7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00001988879795
                2p
                   -1 :              -0.00004058626723
                   +0 :               0.00001672568513
                   +1 :               0.00004587131739
                3s
                   +0 :               0.00049808180812
                4s
                   +0 :              -0.00009222976914
                3p
                   -1 :               0.00033156801402
                   +0 :               0.00033312853192
                   +1 :               0.00001692623472
                4p
                   -1 :              -0.00012531239781
                   +0 :              -0.00001408541975
                   +1 :               0.00001439564313
                3d
                   -2 :               0.00002973424482
                   -1 :               0.00006226528851
                   +0 :               0.00009081744205
                   +1 :               0.00006473017655
                   +2 :              -0.00002554659011
             13 vec=    15.560325      0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00004940402350
                2p
                   -1 :              -0.00001413896920
                   +0 :               0.00003147677040
                   +1 :               0.00003657425605
                3s
                   +0 :               0.00029182019744
                4s
                   +0 :               0.00006147259613
                3p
                   -1 :               0.00024560562998
                   +0 :               0.00018955861105
                   +1 :              -0.00009935531040
                4p
                   -1 :              -0.00004349621519
                   +0 :               0.00006315182124
                   +1 :               0.00004977319530
                3d
                   -2 :               0.00003733019700
                   -1 :               0.00010709016511
                   +0 :               0.00009573098050
                   +1 :               0.00006838427594
                   +2 :              -0.00005162737819
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al(  2)  npairs=  14
              1 vec=     0.000000      0.000000    -12.273771   |vec|=   12.273771
                2s
                   +0 :               0.00152785602286
                2p
                   -1 :              -0.00000000000000
                   +0 :              -0.00040704793202
                   +1 :               0.00000000000000
                3s
                   +0 :              -0.00509185183111
                4s
                   +0 :               0.00102262369119
                3p
                   -1 :               0.00000000000000
                   +0 :               0.00195920816075
                   +1 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :              -0.00053812743610
                   +1 :              -0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.00108446093504
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
              2 vec=     0.000000      0.000000     12.273771   |vec|=   12.273771
                2s
                   +0 :              -0.00014495395572
                2p
                   -1 :               0.00000000000000
                   +0 :               0.00008339978525
                   +1 :               0.00000000000000
                3s
                   +0 :               0.00095561486696
                4s
                   +0 :              -0.00010865815754
                3p
                   -1 :              -0.00000000000000
                   +0 :               0.00008354167712
                   +1 :               0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00011292274490
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00006892858435
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              3 vec=    -7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00077209355093
                2p
                   -1 :              -0.00006200366375
                   +0 :              -0.00029934464321
                   +1 :              -0.00046777450909
                3s
                   +0 :              -0.00215520863689
                4s
                   +0 :               0.00057190851128
                3p
                   -1 :              -0.00013966105660
                   +0 :               0.00101138191585
                   +1 :               0.00180677859334
                4p
                   -1 :               0.00012185170696
                   +0 :              -0.00025123424456
                   +1 :              -0.00035003246997
                3d
                   -2 :               0.00009994201378
                   -1 :              -0.00001068973186
                   +0 :              -0.00019570076501
                   +1 :              -0.00033270983045
                   +2 :              -0.00027302514100
              4 vec=    -7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00002412285299
                2p
                   -1 :              -0.00007429811829
                   +0 :              -0.00001254512867
                   +1 :               0.00003354063228
                3s
                   +0 :               0.00028586989122
                4s
                   +0 :              -0.00003437785190
                3p
                   -1 :               0.00021087786632
                   +0 :               0.00011542416361
                   +1 :              -0.00024225107591
                4p
                   -1 :              -0.00009215916687
                   +0 :              -0.00001757795076
                   +1 :               0.00003974934682
                3d
                   -2 :               0.00004049634056
                   -1 :              -0.00001987596434
                   +0 :              -0.00000610993010
                   +1 :              -0.00001627241181
                   +2 :              -0.00000046988418
              5 vec=    -7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00017090055562
                2p
                   -1 :               0.00002100884685
                   +0 :              -0.00010668093163
                   +1 :              -0.00012378572389
                3s
                   +0 :              -0.00125884942481
                4s
                   +0 :               0.00061939573396
                3p
                   -1 :              -0.00035739801398
                   +0 :               0.00045077168390
                   +1 :               0.00099305104804
                4p
                   -1 :               0.00004590549437
                   +0 :              -0.00025404965355
                   +1 :              -0.00036040206216
                3d
                   -2 :               0.00001447904211
                   -1 :              -0.00000725984497
                   +0 :               0.00011774707488
                   +1 :              -0.00006948385327
                   +2 :               0.00011948840906
              6 vec=    -7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00008358522178
                2p
                   -1 :              -0.00004465962923
                   +0 :              -0.00008332407621
                   +1 :               0.00010133983275
                3s
                   +0 :              -0.00097966217651
                4s
                   +0 :              -0.00009263233813
                3p
                   -1 :              -0.00018279986865
                   +0 :               0.00014822123481
                   +1 :               0.00057165430721
                4p
                   -1 :              -0.00003504071820
                   +0 :              -0.00006517790094
                   +1 :               0.00009177908308
                3d
                   -2 :               0.00012020574329
                   -1 :               0.00002821501981
                   +0 :               0.00015784395998
                   +1 :              -0.00005851952468
                   +2 :              -0.00016915869919
              7 vec=     0.000000     -8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00017090055562
                2p
                   -1 :              -0.00011770600494
                   +0 :              -0.00010668093163
                   +1 :               0.00004369866687
                3s
                   +0 :              -0.00125884942481
                4s
                   +0 :               0.00061939573396
                3p
                   -1 :               0.00103870644185
                   +0 :               0.00045077168390
                   +1 :              -0.00018700976465
                4p
                   -1 :              -0.00033507008859
                   +0 :              -0.00025404965355
                   +1 :               0.00014044570678
                3d
                   -2 :              -0.00011071951876
                   -1 :              -0.00005654485960
                   +0 :               0.00011774707488
                   +1 :               0.00004102913680
                   +2 :              -0.00004720498624
              8 vec=     0.000000     -8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00008358522178
                2p
                   -1 :               0.00011009268419
                   +0 :              -0.00008332407621
                   +1 :              -0.00001199354294
                3s
                   +0 :              -0.00097966217651
                4s
                   +0 :              -0.00009263233813
                3p
                   -1 :               0.00058646708655
                   +0 :               0.00014822123481
                   +1 :              -0.00012751782354
                4p
                   -1 :               0.00009700337659
                   +0 :              -0.00006517790094
                   +1 :              -0.00001554338941
                3d
                   -2 :               0.00008639285912
                   -1 :              -0.00006478690489
                   +0 :               0.00015784395998
                   +1 :               0.00000482483842
                   +2 :               0.00018868057696
              9 vec=     0.000000      8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00077209355093
                2p
                   -1 :               0.00043610643999
                   +0 :              -0.00029934464321
                   +1 :               0.00018019050661
                3s
                   +0 :              -0.00215520863689
                4s
                   +0 :               0.00057190851128
                3p
                   -1 :              -0.00149488563255
                   +0 :               0.00101138191585
                   +1 :              -0.00102433931960
                4p
                   -1 :               0.00024221115766
                   +0 :              -0.00025123424456
                   +1 :               0.00028054290870
                3d
                   -2 :              -0.00028641771487
                   -1 :               0.00029348003119
                   +0 :              -0.00019570076501
                   +1 :               0.00015709733587
                   +2 :               0.00004996024766
             10 vec=     0.000000      8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00002412285299
                2p
                   -1 :               0.00000810201953
                   +0 :              -0.00001254512867
                   +1 :              -0.00008111437403
                3s
                   +0 :               0.00028586989122
                4s
                   +0 :              -0.00003437785190
                3p
                   -1 :               0.00010435665267
                   +0 :               0.00011542416361
                   +1 :               0.00030375112729
                4p
                   -1 :               0.00001165563931
                   +0 :              -0.00001757795076
                   +1 :              -0.00009968685311
                3d
                   -2 :              -0.00002065510192
                   -1 :               0.00002403030418
                   +0 :              -0.00000610993010
                   +1 :              -0.00000907688414
                   +2 :              -0.00003483591760
             11 vec=     7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00077209355093
                2p
                   -1 :              -0.00037410277624
                   +0 :              -0.00029934464321
                   +1 :               0.00028758400248
                3s
                   +0 :              -0.00215520863689
                4s
                   +0 :               0.00057190851128
                3p
                   -1 :               0.00163454668915
                   +0 :               0.00101138191585
                   +1 :              -0.00078243927374
                4p
                   -1 :              -0.00036406286462
                   +0 :              -0.00025123424456
                   +1 :               0.00006948956127
                3d
                   -2 :               0.00018647570109
                   -1 :              -0.00028279029933
                   +0 :              -0.00019570076501
                   +1 :               0.00017561249458
                   +2 :               0.00022306489334
             12 vec=     7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00002412285299
                2p
                   -1 :               0.00006619609876
                   +0 :              -0.00001254512867
                   +1 :               0.00004757374175
                3s
                   +0 :               0.00028586989122
                4s
                   +0 :              -0.00003437785190
                3p
                   -1 :              -0.00031523451899
                   +0 :               0.00011542416361
                   +1 :              -0.00006150005138
                4p
                   -1 :               0.00008050352757
                   +0 :              -0.00001757795076
                   +1 :               0.00005993750629
                3d
                   -2 :              -0.00001984123864
                   -1 :              -0.00000415433983
                   +0 :              -0.00000610993010
                   +1 :               0.00002534929595
                   +2 :               0.00003530580178
             13 vec=     7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00017090055562
                2p
                   -1 :               0.00009669715809
                   +0 :              -0.00010668093163
                   +1 :               0.00008008705702
                3s
                   +0 :              -0.00125884942481
                4s
                   +0 :               0.00061939573396
                3p
                   -1 :              -0.00068130842786
                   +0 :               0.00045077168390
                   +1 :              -0.00080604128339
                4p
                   -1 :               0.00028916459422
                   +0 :              -0.00025404965355
                   +1 :               0.00021995635537
                3d
                   -2 :               0.00009624047665
                   -1 :               0.00006380470457
                   +0 :               0.00011774707488
                   +1 :               0.00002845471647
                   +2 :              -0.00007228342282
             14 vec=     7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00008358522178
                2p
                   -1 :              -0.00006543305496
                   +0 :              -0.00008332407621
                   +1 :              -0.00008934628981
                3s
                   +0 :              -0.00097966217651
                4s
                   +0 :              -0.00009263233813
                3p
                   -1 :              -0.00040366721790
                   +0 :               0.00014822123481
                   +1 :              -0.00044413648367
                4p
                   -1 :              -0.00006196265839
                   +0 :              -0.00006517790094
                   +1 :              -0.00007623569367
                3d
                   -2 :              -0.00020659860241
                   -1 :               0.00003657188508
                   +0 :               0.00015784395998
                   +1 :               0.00005369468626
                   +2 :              -0.00001952187778
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Cr(  3)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3s
                   +0 :               0.00199795296613
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.01414604753542
                   +1 :              -0.00000000000000
                4s
                   +0 :              -0.02383664371251
                5s
                   +0 :               0.00121057078246
                3d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.98762047611428
                   +1 :               0.00000000000000
                   +2 :               0.00000000000000
                4d
                   -2 :              -0.00000000000000
                   -1 :              -0.00000000000000
                   +0 :               0.01748380938354
                   +1 :               0.00000000000000
                   +2 :              -0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.00054917033022
                   +1 :               0.00000000000000
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00151047128895
                3p
                   -1 :               0.00062043879267
                   +0 :              -0.00019297835119
                   +1 :               0.00023126613756
                4s
                   +0 :               0.00353022921727
                5s
                   +0 :               0.00017343023758
                3d
                   -2 :              -0.00037068144330
                   -1 :              -0.00023150667856
                   +0 :               0.00048131729552
                   +1 :              -0.00018028307320
                   +2 :              -0.00023099681467
                4d
                   -2 :               0.00022882875266
                   -1 :              -0.00062480164308
                   +0 :               0.00029367751263
                   +1 :              -0.00135672288916
                   +2 :               0.00004221912310
                4p
                   -1 :              -0.00122638112609
                   +0 :               0.00139574879712
                   +1 :              -0.00110104151801
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00013580593209
                3p
                   -1 :              -0.00036746755457
                   +0 :              -0.00025533933777
                   +1 :              -0.00025308045491
                4s
                   +0 :               0.00096569394427
                5s
                   +0 :              -0.00017434598241
                3d
                   -2 :               0.00202657992392
                   -1 :              -0.00006349176428
                   +0 :               0.00060675442562
                   +1 :               0.00071208579839
                   +2 :              -0.00109373750656
                4d
                   -2 :               0.00053078082640
                   -1 :              -0.00048169804277
                   +0 :               0.00013164485906
                   +1 :              -0.00009106654711
                   +2 :               0.00024781781280
                4p
                   -1 :              -0.00037890717526
                   +0 :              -0.00046905031303
                   +1 :               0.00029023624702
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00013580593209
                3p
                   -1 :              -0.00003544032586
                   +0 :              -0.00025533933777
                   +1 :               0.00044477646478
                4s
                   +0 :               0.00096569394427
                5s
                   +0 :              -0.00017434598241
                3d
                   -2 :              -0.00006608549621
                   -1 :               0.00064843027322
                   +0 :               0.00060675442562
                   +1 :              -0.00030105741840
                   +2 :               0.00230193845019
                4d
                   -2 :              -0.00048000693460
                   -1 :               0.00016198307816
                   +0 :               0.00013164485906
                   +1 :               0.00046269601555
                   +2 :               0.00033576077310
                4p
                   -1 :               0.00044080555065
                   +0 :              -0.00046905031303
                   +1 :               0.00018302511594
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00151047128895
                3p
                   -1 :              -0.00051050174650
                   +0 :              -0.00019297835119
                   +1 :               0.00042168268716
                4s
                   +0 :               0.00353022921727
                5s
                   +0 :               0.00017343023758
                3d
                   -2 :              -0.00001470838805
                   -1 :               0.00027188306054
                   +0 :               0.00048131729552
                   +1 :              -0.00011034912818
                   +2 :               0.00043651795395
                4d
                   -2 :              -0.00007785154320
                   -1 :               0.00148735730945
                   +0 :               0.00029367751263
                   +1 :               0.00013726734934
                   +2 :              -0.00021928107447
                4p
                   -1 :               0.00156672048826
                   +0 :               0.00139574879712
                   +1 :              -0.00051155645091
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00151047128895
                3p
                   -1 :              -0.00010993704617
                   +0 :              -0.00019297835119
                   +1 :              -0.00065294882472
                4s
                   +0 :               0.00353022921727
                5s
                   +0 :               0.00017343023758
                3d
                   -2 :               0.00038538983135
                   -1 :              -0.00004037638198
                   +0 :               0.00048131729552
                   +1 :               0.00029063220138
                   +2 :              -0.00020552113928
                4d
                   -2 :              -0.00015097720946
                   -1 :              -0.00086255566637
                   +0 :               0.00029367751263
                   +1 :               0.00121945553982
                   +2 :               0.00017706195137
                4p
                   -1 :              -0.00034033936217
                   +0 :               0.00139574879712
                   +1 :               0.00161259796892
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00013580593209
                3p
                   -1 :               0.00040290788044
                   +0 :              -0.00025533933777
                   +1 :              -0.00019169600987
                4s
                   +0 :               0.00096569394427
                5s
                   +0 :              -0.00017434598241
                3d
                   -2 :              -0.00196049442771
                   -1 :              -0.00058493850894
                   +0 :               0.00060675442562
                   +1 :              -0.00041102837999
                   +2 :              -0.00120820094363
                4d
                   -2 :              -0.00005077389180
                   -1 :               0.00031971496462
                   +0 :               0.00013164485906
                   +1 :              -0.00037162946844
                   +2 :              -0.00058357858590
                4p
                   -1 :              -0.00006189837539
                   +0 :              -0.00046905031303
                   +1 :              -0.00047326136296
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00015112517436
                3p
                   -1 :               0.00012668284685
                   +0 :               0.00002450142541
                   +1 :               0.00008519728353
                4s
                   +0 :               0.00001958285774
                5s
                   +0 :              -0.00003200383032
                3d
                   -2 :              -0.00003140383903
                   -1 :               0.00029420857902
                   +0 :              -0.00023131724007
                   +1 :              -0.00021819945403
                   +2 :               0.00015923330614
                4d
                   -2 :               0.00009317420192
                   -1 :              -0.00004520400087
                   +0 :              -0.00008368743175
                   +1 :               0.00003555187467
                   +2 :              -0.00001748272284
                4p
                   -1 :              -0.00025784757532
                   +0 :               0.00006296197153
                   +1 :              -0.00011203650795
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00012576699409
                3p
                   -1 :               0.00006761197548
                   +0 :               0.00005803148401
                   +1 :               0.00000170823582
                4s
                   +0 :              -0.00020058945811
                5s
                   +0 :               0.00002142991125
                3d
                   -2 :               0.00015618409620
                   -1 :              -0.00037878064311
                   +0 :              -0.00025770025917
                   +1 :               0.00018556769973
                   +2 :              -0.00004673210088
                4d
                   -2 :              -0.00006170355241
                   -1 :               0.00000754774649
                   +0 :              -0.00005147361457
                   +1 :               0.00002616353250
                   +2 :              -0.00000362404880
                4p
                   -1 :              -0.00002798282090
                   +0 :               0.00003562326873
                   +1 :               0.00013503145524
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00012576699409
                3p
                   -1 :              -0.00003528536336
                   +0 :               0.00005803148401
                   +1 :               0.00005769957046
                4s
                   +0 :              -0.00020058945811
                5s
                   +0 :               0.00002142991125
                3d
                   -2 :              -0.00011856323463
                   -1 :               0.00002868397947
                   +0 :              -0.00025770025917
                   +1 :              -0.00042081750926
                   +2 :              -0.00011189334453
                4d
                   -2 :               0.00002771325788
                   -1 :              -0.00002643215704
                   +0 :              -0.00005147361457
                   +1 :              -0.00000654522605
                   +2 :               0.00005524886829
                4p
                   -1 :              -0.00010294926010
                   +0 :               0.00003562326873
                   +1 :              -0.00009174956139
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00015112517436
                3p
                   -1 :               0.00001044158844
                   +0 :               0.00002450142541
                   +1 :              -0.00015230920536
                4s
                   +0 :               0.00001958285774
                5s
                   +0 :              -0.00003200383032
                3d
                   -2 :              -0.00012219816873
                   -1 :              -0.00033607055979
                   +0 :              -0.00023131724007
                   +1 :              -0.00014569237643
                   +2 :              -0.00010681317544
                4d
                   -2 :              -0.00003144661886
                   -1 :               0.00005339082705
                   +0 :              -0.00008368743175
                   +1 :               0.00002137187577
                   +2 :               0.00008943258726
                4p
                   -1 :               0.00003189732563
                   +0 :               0.00006296197153
                   +1 :               0.00027932080451
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00015112517436
                3p
                   -1 :              -0.00013712443530
                   +0 :               0.00002450142541
                   +1 :               0.00006711192183
                4s
                   +0 :               0.00001958285774
                5s
                   +0 :              -0.00003200383032
                3d
                   -2 :               0.00015360200776
                   -1 :               0.00004186198077
                   +0 :              -0.00023131724007
                   +1 :               0.00036389183046
                   +2 :              -0.00005242013069
                4d
                   -2 :              -0.00006172758307
                   -1 :              -0.00000818682618
                   +0 :              -0.00008368743175
                   +1 :              -0.00005692375044
                   +2 :              -0.00007194986443
                4p
                   -1 :               0.00022595024969
                   +0 :               0.00006296197153
                   +1 :              -0.00016728429656
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00012576699409
                3p
                   -1 :              -0.00003232661213
                   +0 :               0.00005803148401
                   +1 :              -0.00005940780628
                4s
                   +0 :              -0.00020058945811
                5s
                   +0 :               0.00002142991125
                3d
                   -2 :              -0.00003762086156
                   -1 :               0.00035009666364
                   +0 :              -0.00025770025917
                   +1 :               0.00023524980953
                   +2 :               0.00015862544541
                4d
                   -2 :               0.00003399029453
                   -1 :               0.00001888441056
                   +0 :              -0.00005147361457
                   +1 :              -0.00001961830645
                   +2 :              -0.00005162481949
                4p
                   -1 :               0.00013093208100
                   +0 :               0.00003562326873
                   +1 :              -0.00004328189385
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00007963022239
                3p
                   -1 :               0.00003892030836
                   +0 :              -0.00000655262800
                   +1 :               0.00004637311959
                4s
                   +0 :               0.00003458641792
                5s
                   +0 :               0.00000999282074
                3d
                   -2 :              -0.00001313344430
                   -1 :               0.00004657971372
                   +0 :              -0.00005020158881
                   +1 :               0.00004758981849
                   +2 :               0.00001779481074
                4d
                   -2 :               0.00004668500206
                   -1 :              -0.00003949717286
                   +0 :              -0.00001331605231
                   +1 :              -0.00000769377070
                   +2 :              -0.00001310514969
                4p
                   -1 :              -0.00005626226954
                   +0 :               0.00001813734625
                   +1 :              -0.00004780469399
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00006226203106
                3p
                   -1 :              -0.00001191492974
                   +0 :              -0.00001740720491
                   +1 :              -0.00000147835605
                4s
                   +0 :               0.00010030449644
                5s
                   +0 :              -0.00002522229039
                3d
                   -2 :               0.00000492199772
                   -1 :               0.00005566228885
                   +0 :              -0.00004640565210
                   +1 :              -0.00000817474838
                   +2 :              -0.00005925499136
                4d
                   -2 :               0.00001549022601
                   -1 :              -0.00001360050988
                   +0 :              -0.00002366953998
                   +1 :              -0.00000542718462
                   +2 :               0.00000792506144
                4p
                   -1 :               0.00003198420380
                   +0 :               0.00001377484018
                   +1 :               0.00000492817058
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00006226203106
                3p
                   -1 :               0.00000467717098
                   +0 :              -0.00001740720491
                   +1 :               0.00001105780986
                4s
                   +0 :               0.00010030449644
                5s
                   +0 :              -0.00002522229039
                3d
                   -2 :               0.00004885532896
                   -1 :              -0.00003491068419
                   +0 :              -0.00004640565210
                   +1 :              -0.00004411758199
                   +2 :               0.00003389007074
                4d
                   -2 :              -0.00001460841754
                   -1 :               0.00000210017519
                   +0 :              -0.00002366953998
                   +1 :               0.00001449197937
                   +2 :               0.00000945239852
                4p
                   -1 :              -0.00001172418098
                   +0 :               0.00001377484018
                   +1 :              -0.00003016321830
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00007963022239
                3p
                   -1 :              -0.00005962045380
                   +0 :              -0.00000655262800
                   +1 :               0.00001051941597
                4s
                   +0 :               0.00003458641792
                5s
                   +0 :               0.00000999282074
                3d
                   -2 :               0.00002197748030
                   -1 :              -0.00006450384864
                   +0 :              -0.00005020158881
                   +1 :               0.00001654430614
                   +2 :               0.00000247649103
                4d
                   -2 :              -0.00003469189358
                   -1 :               0.00002641158731
                   +0 :              -0.00001331605231
                   +1 :              -0.00003035866972
                   +2 :              -0.00003387782291
                4p
                   -1 :               0.00006953121419
                   +0 :               0.00001813734625
                   +1 :              -0.00002482220771
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00007963022239
                3p
                   -1 :               0.00002070014544
                   +0 :              -0.00000655262800
                   +1 :              -0.00005689253556
                4s
                   +0 :               0.00003458641792
                5s
                   +0 :               0.00000999282074
                3d
                   -2 :              -0.00000884403601
                   -1 :               0.00001792413491
                   +0 :              -0.00005020158881
                   +1 :              -0.00006413412463
                   +2 :              -0.00002027130177
                4d
                   -2 :              -0.00001199310847
                   -1 :               0.00001308558555
                   +0 :              -0.00001331605231
                   +1 :               0.00003805244043
                   +2 :               0.00004698297260
                4p
                   -1 :              -0.00001326894464
                   +0 :               0.00001813734625
                   +1 :               0.00007262690169
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00006226203106
                3p
                   -1 :               0.00000723775876
                   +0 :              -0.00001740720491
                   +1 :              -0.00000957945382
                4s
                   +0 :               0.00010030449644
                5s
                   +0 :              -0.00002522229039
                3d
                   -2 :              -0.00005377732668
                   -1 :              -0.00002075160466
                   +0 :              -0.00004640565210
                   +1 :               0.00005229233037
                   +2 :               0.00002536492062
                4d
                   -2 :              -0.00000088180847
                   -1 :               0.00001150033469
                   +0 :              -0.00002366953998
                   +1 :              -0.00000906479475
                   +2 :              -0.00001737745996
                4p
                   -1 :              -0.00002026002282
                   +0 :               0.00001377484018
                   +1 :               0.00002523504772
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al(  4)  npairs=  14
              1 vec=     0.000000      0.000000     -7.252326   |vec|=    7.252326
                2s
                   +0 :              -0.00448364131045
                2p
                   -1 :              -0.00000000000000
                   +0 :               0.00161837106647
                   +1 :              -0.00000000000000
                3s
                   +0 :               0.01533383728793
                4s
                   +0 :              -0.00832934003385
                3p
                   -1 :              -0.00000000000000
                   +0 :              -0.02321074265947
                   +1 :               0.00000000000000
                4p
                   -1 :              -0.00000000000000
                   +0 :               0.01020618177064
                   +1 :               0.00000000000000
                3d
                   -2 :              -0.00000000000000
                   -1 :               0.00000000000000
                   +0 :               0.00721028648341
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
              2 vec=    -7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00022397048796
                2p
                   -1 :               0.00013795725713
                   +0 :               0.00007953082546
                   +1 :              -0.00012342875971
                3s
                   +0 :              -0.00150845949295
                4s
                   +0 :               0.00081750049702
                3p
                   -1 :               0.00009127902230
                   +0 :              -0.00052355673602
                   +1 :               0.00088508478979
                4p
                   -1 :              -0.00042134955348
                   +0 :               0.00013806733311
                   +1 :              -0.00067055298637
                3d
                   -2 :               0.00026930319792
                   -1 :               0.00001968487949
                   +0 :               0.00014981638748
                   +1 :               0.00040736379037
                   +2 :               0.00050149398045
              3 vec=    -7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00049852111853
                2p
                   -1 :              -0.00034527547727
                   +0 :               0.00005015558346
                   +1 :               0.00000080168806
                3s
                   +0 :              -0.00828212517004
                4s
                   +0 :               0.00017408259702
                3p
                   -1 :              -0.00209082442276
                   +0 :               0.00172694179251
                   +1 :               0.00437789301096
                4p
                   -1 :              -0.00041008232630
                   +0 :              -0.00022477235833
                   +1 :               0.00003088322036
                3d
                   -2 :               0.00119012510590
                   -1 :               0.00029571241639
                   +0 :               0.00080414322595
                   +1 :              -0.00074442753492
                   +2 :              -0.00051153559295
              4 vec=     0.000000     -8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00049852111853
                2p
                   -1 :               0.00017333202086
                   +0 :               0.00005015558346
                   +1 :               0.00029861649059
                3s
                   +0 :              -0.00828212517004
                4s
                   +0 :               0.00017408259702
                3p
                   -1 :               0.00483677877392
                   +0 :               0.00172694179251
                   +1 :              -0.00037823944051
                4p
                   -1 :               0.00023178681653
                   +0 :              -0.00022477235833
                   +1 :               0.00033970010203
                3d
                   -2 :              -0.00015205973452
                   -1 :              -0.00079254936471
                   +0 :               0.00080414322595
                   +1 :               0.00011611930265
                   +2 :               0.00128644637186
              5 vec=     0.000000      8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00022397048796
                2p
                   -1 :               0.00003791381290
                   +0 :               0.00007953082546
                   +1 :               0.00018118886916
                3s
                   +0 :              -0.00150845949295
                4s
                   +0 :               0.00081750049702
                3p
                   -1 :              -0.00081214542361
                   +0 :              -0.00052355673602
                   +1 :              -0.00036349244276
                4p
                   -1 :               0.00079139069752
                   +0 :               0.00013806733311
                   +1 :              -0.00002962292400
                3d
                   -2 :               0.00029965492796
                   -1 :              -0.00036262983079
                   +0 :               0.00014981638748
                   +1 :              -0.00018663428948
                   +2 :              -0.00048397040095
              6 vec=     7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00022397048796
                2p
                   -1 :              -0.00017587107003
                   +0 :               0.00007953082546
                   +1 :              -0.00005776010946
                3s
                   +0 :              -0.00150845949295
                4s
                   +0 :               0.00081750049702
                3p
                   -1 :               0.00072086640132
                   +0 :              -0.00052355673602
                   +1 :              -0.00052159234704
                4p
                   -1 :              -0.00037004114404
                   +0 :               0.00013806733311
                   +1 :               0.00070017591038
                3d
                   -2 :              -0.00056895812588
                   -1 :               0.00034294495130
                   +0 :               0.00014981638748
                   +1 :              -0.00022072950090
                   +2 :              -0.00001752357950
              7 vec=     7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00049852111853
                2p
                   -1 :               0.00017194345641
                   +0 :               0.00005015558346
                   +1 :              -0.00029941817865
                3s
                   +0 :              -0.00828212517004
                4s
                   +0 :               0.00017408259702
                3p
                   -1 :              -0.00274595435116
                   +0 :               0.00172694179251
                   +1 :              -0.00399965357045
                4p
                   -1 :               0.00017829550976
                   +0 :              -0.00022477235833
                   +1 :              -0.00037058332240
                3d
                   -2 :              -0.00103806537138
                   -1 :               0.00049683694832
                   +0 :               0.00080414322595
                   +1 :               0.00062830823226
                   +2 :              -0.00077491077892
              8 vec=   -15.560325     -0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00002749461928
                2p
                   -1 :              -0.00009904462467
                   +0 :               0.00005664096766
                   +1 :              -0.00003234765754
                3s
                   +0 :              -0.00000832081692
                4s
                   +0 :               0.00005315376684
                3p
                   -1 :               0.00068504849161
                   +0 :              -0.00037140234577
                   +1 :               0.00022465344893
                4p
                   -1 :              -0.00015509157800
                   +0 :               0.00006457494668
                   +1 :              -0.00008451117661
                3d
                   -2 :              -0.00013595052047
                   -1 :              -0.00011964785082
                   +0 :              -0.00000040341840
                   +1 :               0.00005416181576
                   +2 :              -0.00005866328976
              9 vec=    -7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00008549955953
                2p
                   -1 :              -0.00007917884835
                   +0 :               0.00001238956192
                   +1 :              -0.00000412869469
                3s
                   +0 :              -0.00034726134038
                4s
                   +0 :               0.00010882439106
                3p
                   -1 :               0.00037144527545
                   +0 :              -0.00012413679417
                   +1 :               0.00008774852477
                4p
                   -1 :              -0.00009148300844
                   +0 :               0.00004625445606
                   +1 :              -0.00001733634037
                3d
                   -2 :              -0.00005010427939
                   -1 :              -0.00002373080032
                   +0 :               0.00003006300187
                   +1 :               0.00002211182739
                   +2 :               0.00001689364802
             10 vec=    -7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00008549955953
                2p
                   -1 :               0.00004316497867
                   +0 :               0.00001238956192
                   +1 :              -0.00006650654677
                3s
                   +0 :              -0.00034726134038
                4s
                   +0 :               0.00010882439106
                3p
                   -1 :              -0.00026171508932
                   +0 :              -0.00012413679417
                   +1 :               0.00027780678227
                4p
                   -1 :               0.00006075521539
                   +0 :               0.00004625445606
                   +1 :              -0.00007055843914
                3d
                   -2 :               0.00003968246804
                   -1 :              -0.00000728400408
                   +0 :               0.00003006300187
                   +1 :              -0.00003160738962
                   +2 :               0.00003494475478
             11 vec=     7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00002749461928
                2p
                   -1 :               0.00002150841915
                   +0 :               0.00005664096766
                   +1 :               0.00010194898984
                3s
                   +0 :              -0.00000832081692
                4s
                   +0 :               0.00005315376684
                3p
                   -1 :              -0.00014796865199
                   +0 :              -0.00037140234577
                   +1 :              -0.00070559612103
                4p
                   -1 :               0.00000435696315
                   +0 :               0.00006457494668
                   +1 :               0.00017656883476
                3d
                   -2 :               0.00011877915944
                   -1 :               0.00010672943377
                   +0 :              -0.00000040341840
                   +1 :               0.00007653717043
                   +2 :              -0.00008840495950
             12 vec=     7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00002749461928
                2p
                   -1 :               0.00007753620551
                   +0 :               0.00005664096766
                   +1 :              -0.00006960133230
                3s
                   +0 :              -0.00000832081692
                4s
                   +0 :               0.00005315376684
                3p
                   -1 :              -0.00053707983963
                   +0 :              -0.00037140234577
                   +1 :               0.00048094267210
                4p
                   -1 :               0.00015073461485
                   +0 :               0.00006457494668
                   +1 :              -0.00009205765815
                3d
                   -2 :               0.00001717136103
                   -1 :               0.00001291841704
                   +0 :              -0.00000040341840
                   +1 :              -0.00013069898619
                   +2 :               0.00014706824927
             13 vec=    15.560325      0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00008549955953
                2p
                   -1 :               0.00003601386969
                   +0 :               0.00001238956192
                   +1 :               0.00007063524146
                3s
                   +0 :              -0.00034726134038
                4s
                   +0 :               0.00010882439106
                3p
                   -1 :              -0.00010973018613
                   +0 :              -0.00012413679417
                   +1 :              -0.00036555530704
                4p
                   -1 :               0.00003072779305
                   +0 :               0.00004625445606
                   +1 :               0.00008789477951
                3d
                   -2 :               0.00001042181135
                   -1 :               0.00003101480440
                   +0 :               0.00003006300187
                   +1 :               0.00000949556224
                   +2 :              -0.00005183840280
             14 vec=     0.000000      0.000000     17.295216   |vec|=   17.295216
                2s
                   +0 :               0.00004968127189
                2p
                   -1 :               0.00000000000000
                   +0 :              -0.00000789561598
                   +1 :               0.00000000000000
                3s
                   +0 :              -0.00059822738466
                4s
                   +0 :               0.00011298506608
                3p
                   +0 :              -0.00024723349697
                   +1 :              -0.00000000000000
                4p
                   -1 :               0.00000000000000
                   +0 :               0.00002653575513
                   +1 :               0.00000000000000
                3d
                   -2 :               0.00000000000000
                   -1 :               0.00000000000000
                   +0 :              -0.00000033889508
                   +1 :              -0.00000000000000
                   +2 :               0.00000000000000
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al(  5)  npairs=  18
              1 vec=    -2.593388     -4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :               0.00057820311861
                2p
                   -1 :              -0.00048063062863
                   +0 :               0.00000834657793
                   +1 :               0.00018960662107
                3s
                   +0 :              -0.00200299451586
                4s
                   +0 :               0.00030591497545
                3p
                   -1 :               0.00252750061097
                   +0 :               0.00009787750557
                   +1 :              -0.00109950698515
                4p
                   -1 :              -0.00081504260331
                   +0 :              -0.00009943956923
                   +1 :               0.00050916768166
                3d
                   -2 :              -0.00080596557666
                   -1 :              -0.00013872186567
                   +0 :               0.00032158036489
                   +1 :              -0.00004312433356
                   +2 :              -0.00010432588146
              2 vec=    -2.593388      4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :               0.00057820311861
                2p
                   -1 :               0.00007611116374
                   +0 :               0.00000834657793
                   +1 :              -0.00051104164477
                3s
                   +0 :              -0.00200299451586
                4s
                   +0 :               0.00030591497545
                3p
                   -1 :              -0.00031154932471
                   +0 :               0.00009787750557
                   +1 :               0.00273863322976
                4p
                   -1 :              -0.00003343084545
                   +0 :              -0.00009943956923
                   +1 :              -0.00096043144046
                3d
                   -2 :               0.00031263392471
                   -1 :               0.00010670770122
                   +0 :               0.00032158036489
                   +1 :              -0.00009857449295
                   +2 :               0.00075014960469
              3 vec=     5.186775      0.000000    -11.343665   |vec|=   12.473226
                2s
                   +0 :               0.00057820311861
                2p
                   -1 :               0.00040451946489
                   +0 :               0.00000834657793
                   +1 :               0.00032143502370
                3s
                   +0 :              -0.00200299451586
                4s
                   +0 :               0.00030591497545
                3p
                   -1 :              -0.00221595128627
                   +0 :               0.00009787750557
                   +1 :              -0.00163912624461
                4p
                   -1 :               0.00084847344876
                   +0 :              -0.00009943956923
                   +1 :               0.00045126375880
                3d
                   -2 :               0.00049333165195
                   -1 :               0.00003201416445
                   +0 :               0.00032158036489
                   +1 :               0.00014169882651
                   +2 :              -0.00064582372323
              4 vec=    -2.593388     -4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :               0.00010678148062
                2p
                   -1 :               0.00009839747425
                   +0 :               0.00001523565672
                   +1 :              -0.00003013810769
                3s
                   +0 :              -0.00110618381559
                4s
                   +0 :               0.00025503557769
                3p
                   -1 :              -0.00026478984661
                   +0 :              -0.00036263078130
                   +1 :               0.00057651868780
                4p
                   -1 :               0.00001625371269
                   +0 :               0.00008473373393
                   +1 :              -0.00006106630718
                3d
                   -2 :               0.00025304378724
                   -1 :              -0.00009584137361
                   +0 :               0.00005942718635
                   +1 :               0.00002201736979
                   +2 :              -0.00003444388689
              5 vec=    -2.593388      4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :               0.00010678148062
                2p
                   -1 :              -0.00002309837024
                   +0 :               0.00001523565672
                   +1 :               0.00010028376621
                3s
                   +0 :              -0.00110618381559
                4s
                   +0 :               0.00025503557769
                3p
                   -1 :              -0.00036688490608
                   +0 :              -0.00036263078130
                   +1 :              -0.00051757407773
                4p
                   -1 :               0.00004475811699
                   +0 :               0.00008473373393
                   +1 :               0.00004460928168
                3d
                   -2 :              -0.00015635117467
                   -1 :               0.00002885308524
                   +0 :               0.00005942718635
                   +1 :              -0.00009400974918
                   +2 :              -0.00020192040457
              6 vec=     5.186775      0.000000     13.203878   |vec|=   14.186085
                2s
                   +0 :               0.00010678148062
                2p
                   -1 :              -0.00007529910401
                   +0 :               0.00001523565672
                   +1 :              -0.00007014565852
                3s
                   +0 :              -0.00110618381559
                4s
                   +0 :               0.00025503557769
                3p
                   -1 :               0.00063167475269
                   +0 :              -0.00036263078130
                   +1 :              -0.00005894461007
                4p
                   -1 :              -0.00006101182968
                   +0 :               0.00008473373393
                   +1 :               0.00001645702550
                3d
                   -2 :              -0.00009669261257
                   -1 :               0.00006698828837
                   +0 :               0.00005942718635
                   +1 :               0.00007199237938
                   +2 :               0.00023636429146
              7 vec=   -10.373550     -0.000000    -11.343665   |vec|=   15.371704
                2s
                   +0 :              -0.00027717655493
                2p
                   -1 :               0.00018096821605
                   +0 :               0.00008866887078
                   +1 :               0.00011634741084
                3s
                   +0 :              -0.00053754229164
                4s
                   +0 :              -0.00019211695608
                3p
                   -1 :              -0.00034717833532
                   +0 :              -0.00024668043752
                   +1 :               0.00044097080841
                4p
                   -1 :               0.00021558116171
                   +0 :               0.00005074800869
                   +1 :               0.00006053334075
                3d
                   -2 :              -0.00001332302065
                   -1 :               0.00020756881374
                   +0 :               0.00013835879192
                   +1 :               0.00007739111975
                   +2 :              -0.00013317954207
              8 vec=     5.186775     -8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :              -0.00027717655493
                2p
                   -1 :               0.00001027570542
                   +0 :               0.00008866887078
                   +1 :              -0.00021489677780
                3s
                   +0 :              -0.00053754229164
                4s
                   +0 :              -0.00019211695608
                3p
                   -1 :               0.00055548109007
                   +0 :              -0.00024668043752
                   +1 :               0.00008017985382
                4p
                   -1 :              -0.00005536716999
                   +0 :               0.00005074800869
                   +1 :              -0.00021696543299
                3d
                   -2 :               0.00012199837702
                   -1 :              -0.00003676173114
                   +0 :               0.00013835879192
                   +1 :              -0.00021845542561
                   +2 :               0.00005505169670
              9 vec=     5.186775      8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :              -0.00027717655493
                2p
                   -1 :              -0.00019124392147
                   +0 :               0.00008866887078
                   +1 :               0.00009854936696
                3s
                   +0 :              -0.00053754229164
                4s
                   +0 :              -0.00019211695608
                3p
                   -1 :              -0.00020830275475
                   +0 :              -0.00024668043752
                   +1 :              -0.00052115066223
                4p
                   -1 :              -0.00016021399172
                   +0 :               0.00005074800869
                   +1 :               0.00015643209224
                3d
                   -2 :              -0.00010867535637
                   -1 :              -0.00017080708260
                   +0 :               0.00013835879192
                   +1 :               0.00014106430586
                   +2 :               0.00007812784537
             10 vec=   -10.373550     -0.000000     13.203878   |vec|=   16.791454
                2s
                   +0 :               0.00006901327627
                2p
                   -1 :               0.00003298360802
                   +0 :               0.00001442358872
                   +1 :              -0.00000501877348
                3s
                   +0 :              -0.00001010408356
                4s
                   +0 :               0.00004828916038
                3p
                   -1 :              -0.00008407260751
                   +0 :               0.00008963142774
                   +1 :              -0.00012678519656
                4p
                   -1 :               0.00002516013397
                   +0 :               0.00000678104321
                   +1 :               0.00001220865000
                3d
                   -2 :              -0.00000152299121
                   -1 :              -0.00002057804135
                   +0 :              -0.00004207371104
                   +1 :              -0.00003355450731
                   +2 :               0.00004434570131
             11 vec=     5.186775     -8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :               0.00006901327627
                2p
                   -1 :              -0.00002083818934
                   +0 :               0.00001442358872
                   +1 :              -0.00002605525571
                3s
                   +0 :              -0.00001010408356
                4s
                   +0 :               0.00004828916038
                3p
                   -1 :              -0.00006776289729
                   +0 :               0.00008963142774
                   +1 :               0.00013620161215
                4p
                   -1 :              -0.00000200706594
                   +0 :               0.00000678104321
                   +1 :              -0.00002789364018
                3d
                   -2 :              -0.00003764300827
                   -1 :              -0.00001877003506
                   +0 :              -0.00004207371104
                   +1 :               0.00003459836023
                   +2 :              -0.00002349179974
             12 vec=     5.186775      8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :               0.00006901327627
                2p
                   -1 :              -0.00001214541868
                   +0 :               0.00001442358872
                   +1 :               0.00003107402919
                3s
                   +0 :              -0.00001010408356
                4s
                   +0 :               0.00004828916038
                3p
                   -1 :               0.00015183550480
                   +0 :               0.00008963142774
                   +1 :              -0.00000941641559
                4p
                   -1 :              -0.00002315306803
                   +0 :               0.00000678104321
                   +1 :               0.00001568499018
                3d
                   -2 :               0.00003916599949
                   -1 :               0.00003934807642
                   +0 :              -0.00004207371104
                   +1 :              -0.00000104385292
                   +2 :              -0.00002085390157
             13 vec=   -10.373550     -8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00003357307890
                2p
                   -1 :              -0.00000073325133
                   +0 :               0.00001016281222
                   +1 :               0.00001080975214
                3s
                   +0 :              -0.00003788143058
                4s
                   +0 :              -0.00000026726717
                3p
                   -1 :               0.00006343138051
                   +0 :              -0.00001455046220
                   +1 :               0.00000857369203
                4p
                   -1 :               0.00000022120354
                   +0 :              -0.00000340721639
                   +1 :              -0.00000219502840
                3d
                   -2 :              -0.00001674971593
                   -1 :              -0.00000059968445
                   +0 :               0.00001213710202
                   +1 :              -0.00000809452363
                   +2 :              -0.00002490082436
             14 vec=   -10.373550      8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00001227422722
                2p
                   -1 :              -0.00000984291414
                   +0 :               0.00000346265467
                   +1 :              -0.00001079033661
                3s
                   +0 :              -0.00008157060664
                4s
                   +0 :               0.00003472470017
                3p
                   -1 :               0.00001216386657
                   +0 :              -0.00005634538451
                   +1 :               0.00006153534173
                4p
                   -1 :              -0.00000877856341
                   +0 :               0.00001659102791
                   +1 :              -0.00004146681074
                3d
                   -2 :              -0.00003236251244
                   -1 :               0.00003432997249
                   +0 :               0.00001322196517
                   +1 :               0.00001155893670
                   +2 :              -0.00000799278204
             15 vec=    -2.593388    -13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00001227422722
                2p
                   -1 :              -0.00000442324855
                   +0 :               0.00000346265467
                   +1 :               0.00001391938200
                3s
                   +0 :              -0.00008157060664
                4s
                   +0 :               0.00003472470017
                3p
                   -1 :               0.00004720923588
                   +0 :              -0.00005634538451
                   +1 :              -0.00004130188832
                4p
                   -1 :              -0.00003152202981
                   +0 :               0.00001659102791
                   +1 :               0.00002833586429
                3d
                   -2 :               0.00002310320851
                   -1 :              -0.00000715465343
                   +0 :               0.00001322196517
                   +1 :              -0.00003551009664
                   +2 :              -0.00002403036689
             16 vec=    -2.593388     13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00003357307890
                2p
                   -1 :              -0.00000899489430
                   +0 :               0.00001016281222
                   +1 :              -0.00000603989035
                3s
                   +0 :              -0.00003788143058
                4s
                   +0 :              -0.00000026726717
                3p
                   -1 :              -0.00003914072536
                   +0 :              -0.00001455046220
                   +1 :               0.00005064634090
                4p
                   -1 :               0.00000179034859
                   +0 :              -0.00000340721639
                   +1 :               0.00000128908209
                3d
                   -2 :              -0.00001318988851
                   -1 :               0.00000730990531
                   +0 :               0.00001213710202
                   +1 :               0.00000352791985
                   +2 :               0.00002695609168
             17 vec=    12.966938     -4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00003357307890
                2p
                   -1 :               0.00000972814563
                   +0 :               0.00001016281222
                   +1 :              -0.00000476986180
                3s
                   +0 :              -0.00003788143058
                4s
                   +0 :              -0.00000026726717
                3p
                   -1 :              -0.00002429065515
                   +0 :              -0.00001455046220
                   +1 :              -0.00005922003293
                4p
                   -1 :              -0.00000201155213
                   +0 :              -0.00000340721639
                   +1 :               0.00000090594632
                3d
                   -2 :               0.00002993960444
                   -1 :              -0.00000671022087
                   +0 :               0.00001213710202
                   +1 :               0.00000456660378
                   +2 :              -0.00000205526732
             18 vec=    12.966938      4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00001227422722
                2p
                   -1 :               0.00001426616269
                   +0 :               0.00000346265467
                   +1 :              -0.00000312904539
                3s
                   +0 :              -0.00008157060664
                4s
                   +0 :               0.00003472470017
                3p
                   -1 :              -0.00005937310245
                   +0 :              -0.00005634538451
                   +1 :              -0.00002023345340
                4p
                   -1 :               0.00004030059322
                   +0 :               0.00001659102791
                   +1 :               0.00001313094645
                3d
                   -2 :               0.00000925930393
                   -1 :              -0.00002717531907
                   +0 :               0.00001322196517
                   +1 :               0.00002395115994
                   +2 :               0.00003202314892
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al(  6)  npairs=  12
              1 vec=    -2.593388     -4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00464398762369
                2p
                   -1 :              -0.00178495367907
                   +0 :               0.00074519038743
                   +1 :              -0.00240312737862
                3s
                   +0 :              -0.03249816552780
                4s
                   +0 :               0.00145055572070
                3p
                   -1 :               0.01310028471419
                   +0 :               0.00000763686267
                   +1 :               0.02825165278194
                4p
                   -1 :               0.00065123237538
                   +0 :               0.00141663253551
                   +1 :              -0.00292449035221
                3d
                   -2 :              -0.00615678143718
                   -1 :               0.00065270280546
                   +0 :               0.00563997492751
                   +1 :              -0.00362966746091
                   +2 :              -0.00276430201963
              2 vec=    -2.593388      4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00464398762369
                2p
                   -1 :               0.00297364619795
                   +0 :               0.00074519038743
                   +1 :              -0.00034425154134
                3s
                   +0 :              -0.03249816552780
                4s
                   +0 :               0.00145055572070
                3p
                   -1 :              -0.03101679136515
                   +0 :               0.00000763686267
                   +1 :              -0.00278064703167
                4p
                   -1 :               0.00220706675045
                   +0 :               0.00141663253551
                   +1 :               0.00202622895696
                3d
                   -2 :               0.00068443494585
                   -1 :               0.00281703282571
                   +0 :               0.00563997492751
                   +1 :               0.00238009094111
                   +2 :               0.00671408013996
              3 vec=     5.186775      0.000000     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00464398762369
                2p
                   -1 :              -0.00118869251888
                   +0 :               0.00074519038743
                   +1 :               0.00274737891997
                3s
                   +0 :              -0.03249816552780
                4s
                   +0 :               0.00145055572070
                3p
                   -1 :               0.01791650665096
                   +0 :               0.00000763686267
                   +1 :              -0.02547100575027
                4p
                   -1 :              -0.00285829912583
                   +0 :               0.00141663253551
                   +1 :               0.00089826139526
                3d
                   -2 :               0.00547234649133
                   -1 :              -0.00346973563117
                   +0 :               0.00563997492751
                   +1 :               0.00124957651980
                   +2 :              -0.00394977812033
              4 vec=   -10.373550     -0.000000     -4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00067746504236
                2p
                   -1 :               0.00069692952146
                   +0 :               0.00065547348661
                   +1 :               0.00003578838195
                3s
                   +0 :               0.00495098933362
                4s
                   +0 :              -0.00151778912238
                3p
                   -1 :              -0.00391668674468
                   +0 :              -0.00362293685190
                   +1 :              -0.00157329795919
                4p
                   -1 :               0.00108504852334
                   +0 :               0.00085553684511
                   +1 :               0.00032782003545
                3d
                   -2 :               0.00074120553932
                   -1 :               0.00050904043865
                   +0 :               0.00069781562754
                   +1 :               0.00078768580541
                   +2 :              -0.00010438174387
              5 vec=     5.186775     -8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00067746504236
                2p
                   -1 :              -0.00031747111280
                   +0 :               0.00065547348661
                   +1 :              -0.00062145286120
                3s
                   +0 :               0.00495098933362
                4s
                   +0 :              -0.00151778912238
                3p
                   -1 :               0.00059582737196
                   +0 :              -0.00362293685190
                   +1 :               0.00417859919915
                4p
                   -1 :              -0.00025862378310
                   +0 :               0.00085553684511
                   +1 :              -0.00110358960328
                3d
                   -2 :              -0.00028020552777
                   -1 :               0.00042763569836
                   +0 :               0.00069781562754
                   +1 :              -0.00083468485413
                   +2 :               0.00069409369841
              6 vec=     5.186775      8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00067746504236
                2p
                   -1 :              -0.00037945840866
                   +0 :               0.00065547348661
                   +1 :               0.00058566447925
                3s
                   +0 :               0.00495098933362
                4s
                   +0 :              -0.00151778912238
                3p
                   -1 :               0.00332085937272
                   +0 :              -0.00362293685190
                   +1 :              -0.00260530123996
                4p
                   -1 :              -0.00082642474024
                   +0 :               0.00085553684511
                   +1 :               0.00077576956782
                3d
                   -2 :              -0.00046100001154
                   -1 :              -0.00093667613701
                   +0 :               0.00069781562754
                   +1 :               0.00004699904872
                   +2 :              -0.00058971195454
              7 vec=   -10.373550     -8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00020218164320
                2p
                   -1 :               0.00000639681492
                   +0 :               0.00013339100354
                   +1 :               0.00007123398306
                3s
                   +0 :               0.00071784523616
                4s
                   +0 :              -0.00022926176052
                3p
                   -1 :              -0.00011705016129
                   +0 :              -0.00078591342497
                   +1 :              -0.00019718904707
                4p
                   -1 :              -0.00001010076358
                   +0 :               0.00019367940818
                   +1 :               0.00001284082657
                3d
                   -2 :               0.00007962086270
                   -1 :               0.00011586975530
                   +0 :               0.00005688181877
                   +1 :               0.00009887947371
                   +2 :               0.00001092803529
              8 vec=   -10.373550      8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00026173997368
                2p
                   -1 :              -0.00008358912685
                   +0 :               0.00005234933399
                   +1 :               0.00015801396359
                3s
                   +0 :               0.00059148840854
                4s
                   +0 :              -0.00031054200839
                3p
                   -1 :               0.00032024006083
                   +0 :              -0.00027526306841
                   +1 :              -0.00064186070238
                4p
                   -1 :              -0.00008987544756
                   +0 :               0.00011132675684
                   +1 :               0.00023191249938
                3d
                   -2 :              -0.00016600249792
                   -1 :               0.00000976322111
                   +0 :               0.00009473398754
                   +1 :               0.00008219311340
                   +2 :               0.00010061736447
              9 vec=    -2.593388    -13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00026173997368
                2p
                   -1 :               0.00017863867005
                   +0 :               0.00005234933399
                   +1 :              -0.00000661667446
                3s
                   +0 :               0.00059148840854
                4s
                   +0 :              -0.00031054200839
                3p
                   -1 :              -0.00071598770437
                   +0 :              -0.00027526306841
                   +1 :               0.00004359432320
                4p
                   -1 :               0.00024577983970
                   +0 :               0.00011132675684
                   +1 :              -0.00003812182892
                3d
                   -2 :              -0.00000413594474
                   -1 :               0.00006629971367
                   +0 :               0.00009473398754
                   +1 :              -0.00004955175421
                   +2 :              -0.00019407106252
             10 vec=    -2.593388     13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00020218164320
                2p
                   -1 :              -0.00006488884641
                   +0 :               0.00013339100354
                   +1 :              -0.00003007718731
                3s
                   +0 :               0.00071784523616
                4s
                   +0 :              -0.00022926176052
                3p
                   -1 :               0.00022929580476
                   +0 :              -0.00078591342497
                   +1 :              -0.00000277388966
                4p
                   -1 :              -0.00000607010023
                   +0 :               0.00019367940818
                   +1 :              -0.00001516793114
                3d
                   -2 :              -0.00003034647518
                   -1 :              -0.00014356701379
                   +0 :               0.00005688181877
                   +1 :               0.00005090641476
                   +2 :              -0.00007441770741
             11 vec=    12.966938     -4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00020218164320
                2p
                   -1 :               0.00005849203149
                   +0 :               0.00013339100354
                   +1 :              -0.00004115679576
                3s
                   +0 :               0.00071784523616
                4s
                   +0 :              -0.00022926176052
                3p
                   -1 :              -0.00011224564347
                   +0 :              -0.00078591342497
                   +1 :               0.00019996293673
                4p
                   -1 :               0.00001617086380
                   +0 :               0.00019367940818
                   +1 :               0.00000232710457
                3d
                   -2 :              -0.00004927438752
                   -1 :               0.00002769725849
                   +0 :               0.00005688181877
                   +1 :              -0.00014978588847
                   +2 :               0.00006348967213
             12 vec=    12.966938      4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00026173997368
                2p
                   -1 :              -0.00009504954319
                   +0 :               0.00005234933399
                   +1 :              -0.00015139728913
                3s
                   +0 :               0.00059148840854
                4s
                   +0 :              -0.00031054200839
                3p
                   -1 :               0.00039574764354
                   +0 :              -0.00027526306841
                   +1 :               0.00059826637918
                4p
                   -1 :              -0.00015590439214
                   +0 :               0.00011132675684
                   +1 :              -0.00019379067046
                3d
                   -2 :               0.00017013844265
                   -1 :              -0.00007606293478
                   +0 :               0.00009473398754
                   +1 :              -0.00003264135920
                   +2 :               0.00009345369805
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al(  7)  npairs=  15
              1 vec=    -2.593388     -4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00013284794706
                2p
                   -1 :              -0.00002906885247
                   +0 :              -0.00004010565902
                   +1 :               0.00056149445030
                3s
                   +0 :              -0.00321637386853
                4s
                   +0 :               0.00008039008946
                3p
                   -1 :               0.00026357356551
                   +0 :              -0.00040179360133
                   +1 :               0.00081501542100
                4p
                   -1 :               0.00022562408548
                   +0 :               0.00002812542023
                   +1 :               0.00077604598002
                3d
                   -2 :              -0.00071050105395
                   -1 :               0.00044875155205
                   +0 :               0.00038230032138
                   +1 :              -0.00044576352148
                   +2 :              -0.00044106000591
              2 vec=    -2.593388      4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00013284794706
                2p
                   -1 :              -0.00047173403181
                   +0 :              -0.00004010565902
                   +1 :              -0.00030592158985
                3s
                   +0 :              -0.00321637386853
                4s
                   +0 :               0.00008039008946
                3p
                   -1 :              -0.00083761084181
                   +0 :              -0.00040179360133
                   +1 :              -0.00017924630700
                4p
                   -1 :              -0.00078488757595
                   +0 :               0.00002812542023
                   +1 :              -0.00019262680028
                3d
                   -2 :              -0.00002671864273
                   -1 :               0.00016166675766
                   +0 :               0.00038230032138
                   +1 :               0.00061151200481
                   +2 :               0.00083584196509
              3 vec=     5.186775      0.000000      8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00013284794706
                2p
                   -1 :               0.00050080288428
                   +0 :              -0.00004010565902
                   +1 :              -0.00025557286046
                3s
                   +0 :              -0.00321637386853
                4s
                   +0 :               0.00008039008946
                3p
                   -1 :               0.00057403727631
                   +0 :              -0.00040179360133
                   +1 :              -0.00063576911399
                4p
                   -1 :               0.00055926349047
                   +0 :               0.00002812542023
                   +1 :              -0.00058341917975
                3d
                   -2 :               0.00073721969669
                   -1 :              -0.00061041830971
                   +0 :               0.00038230032138
                   +1 :              -0.00016574848332
                   +2 :              -0.00039478195919
              4 vec=   -10.373550     -0.000000      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00002325978324
                2p
                   -1 :               0.00000217951248
                   +0 :               0.00006694213511
                   +1 :              -0.00007102066213
                3s
                   +0 :               0.00079938257476
                4s
                   +0 :               0.00012188750710
                3p
                   -1 :              -0.00024021014576
                   +0 :              -0.00017910225586
                   +1 :              -0.00029917290120
                4p
                   -1 :               0.00009192710429
                   +0 :              -0.00006976381272
                   +1 :              -0.00019490185846
                3d
                   -2 :               0.00013671568560
                   -1 :              -0.00000412573452
                   +0 :              -0.00016265245134
                   +1 :               0.00004873274509
                   +2 :               0.00022486087261
              5 vec=     5.186775     -8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00002325978324
                2p
                   -1 :              -0.00006259545384
                   +0 :               0.00006694213511
                   +1 :               0.00003362281789
                3s
                   +0 :               0.00079938257476
                4s
                   +0 :               0.00012188750710
                3p
                   -1 :              -0.00013898625969
                   +0 :              -0.00017910225586
                   +1 :               0.00035761453908
                4p
                   -1 :              -0.00021475351282
                   +0 :              -0.00006976381272
                   +1 :               0.00001783972162
                3d
                   -2 :              -0.00026309307079
                   -1 :               0.00004426666250
                   +0 :              -0.00016265245134
                   +1 :              -0.00002079338164
                   +2 :               0.00000596882052
              6 vec=     5.186775      8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00002325978324
                2p
                   -1 :               0.00006041594136
                   +0 :               0.00006694213511
                   +1 :               0.00003739784424
                3s
                   +0 :               0.00079938257476
                4s
                   +0 :               0.00012188750710
                3p
                   -1 :               0.00037919640545
                   +0 :              -0.00017910225586
                   +1 :              -0.00005844163787
                4p
                   -1 :               0.00012282640852
                   +0 :              -0.00006976381272
                   +1 :               0.00017706213684
                3d
                   -2 :               0.00012637738519
                   -1 :              -0.00004014092798
                   +0 :              -0.00016265245134
                   +1 :              -0.00002793936345
                   +2 :              -0.00023082969313
              7 vec=   -10.373550     -8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00014928529670
                2p
                   -1 :              -0.00005207321064
                   +0 :               0.00006650407414
                   +1 :              -0.00006567698274
                3s
                   +0 :              -0.00020565070681
                4s
                   +0 :               0.00012378244206
                3p
                   -1 :               0.00011849561170
                   +0 :              -0.00031408534662
                   +1 :               0.00024128984972
                4p
                   -1 :              -0.00006601998504
                   +0 :               0.00002515228642
                   +1 :              -0.00007112426321
                3d
                   -2 :               0.00002410393419
                   -1 :               0.00005968058804
                   +0 :              -0.00002005006054
                   +1 :               0.00012906493297
                   +2 :              -0.00005114116543
              8 vec=   -10.373550      8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00002619050406
                2p
                   -1 :              -0.00001987871558
                   +0 :              -0.00001026669861
                   +1 :              -0.00005186582844
                3s
                   +0 :              -0.00017768897138
                4s
                   +0 :               0.00008026496266
                3p
                   -1 :               0.00008476300462
                   +0 :               0.00006559312626
                   +1 :               0.00049727254477
                4p
                   -1 :               0.00001358499383
                   +0 :              -0.00000277380921
                   +1 :              -0.00013924139463
                3d
                   -2 :               0.00003437169176
                   -1 :               0.00004151691876
                   +0 :              -0.00002714933004
                   +1 :               0.00002142623377
                   +2 :              -0.00009883545870
              9 vec=    -2.593388    -13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00002619050406
                2p
                   -1 :              -0.00003497776723
                   +0 :              -0.00001026669861
                   +1 :               0.00004314838691
                3s
                   +0 :              -0.00017768897138
                4s
                   +0 :               0.00008026496266
                3p
                   -1 :               0.00038826915407
                   +0 :               0.00006559312626
                   +1 :              -0.00032204318769
                4p
                   -1 :              -0.00012737908193
                   +0 :              -0.00000277380921
                   +1 :               0.00005785574755
                3d
                   -2 :               0.00006840817215
                   -1 :              -0.00000220279663
                   +0 :              -0.00002714933004
                   +1 :              -0.00004666782322
                   +2 :               0.00007918448758
             10 vec=    -2.593388     13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00014928529670
                2p
                   -1 :               0.00008291454082
                   +0 :               0.00006650407414
                   +1 :              -0.00001225823190
                3s
                   +0 :              -0.00020565070681
                4s
                   +0 :               0.00012378244206
                3p
                   -1 :              -0.00026821094539
                   +0 :              -0.00031408534662
                   +1 :              -0.00001802471489
                4p
                   -1 :               0.00009460541129
                   +0 :               0.00002515228642
                   +1 :              -0.00002161285260
                3d
                   -2 :              -0.00005634151554
                   -1 :              -0.00014161380471
                   +0 :              -0.00002005006054
                   +1 :              -0.00001284756113
                   +2 :               0.00000469596338
             11 vec=    12.966938     -4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00014928529670
                2p
                   -1 :              -0.00003084133018
                   +0 :               0.00006650407414
                   +1 :               0.00007793521464
                3s
                   +0 :              -0.00020565070681
                4s
                   +0 :               0.00012378244206
                3p
                   -1 :               0.00014971533369
                   +0 :              -0.00031408534662
                   +1 :              -0.00022326513483
                4p
                   -1 :              -0.00002858542625
                   +0 :               0.00002515228642
                   +1 :               0.00009273711581
                3d
                   -2 :               0.00003223758135
                   -1 :               0.00008193321667
                   +0 :              -0.00002005006054
                   +1 :              -0.00011621737184
                   +2 :               0.00004644520206
             12 vec=    12.966938      4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00002619050406
                2p
                   -1 :               0.00005485648281
                   +0 :              -0.00001026669861
                   +1 :               0.00000871744153
                3s
                   +0 :              -0.00017768897138
                4s
                   +0 :               0.00008026496266
                3p
                   -1 :              -0.00047303215869
                   +0 :               0.00006559312626
                   +1 :              -0.00017522935708
                4p
                   -1 :               0.00011379408810
                   +0 :              -0.00000277380921
                   +1 :               0.00008138564709
                3d
                   -2 :              -0.00010277986391
                   -1 :              -0.00003931412214
                   +0 :              -0.00002714933004
                   +1 :               0.00002524158945
                   +2 :               0.00001965097112
             13 vec=    -2.593388     -4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00011545715984
                2p
                   -1 :              -0.00000458951831
                   +0 :               0.00005179090008
                   +1 :              -0.00000549901084
                3s
                   +0 :              -0.00010094222144
                4s
                   +0 :               0.00001933068588
                3p
                   -1 :               0.00008749734938
                   +0 :              -0.00002296854860
                   +1 :              -0.00001146876323
                4p
                   -1 :               0.00000056358031
                   +0 :               0.00000552604578
                   +1 :               0.00002539746753
                3d
                   -2 :               0.00008476861231
                   -1 :              -0.00007024729240
                   +0 :              -0.00006105524549
                   +1 :               0.00003466978820
                   +2 :              -0.00008238716257
             14 vec=    -2.593388      4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00011545715984
                2p
                   -1 :               0.00000705704224
                   +0 :               0.00005179090008
                   +1 :              -0.00000122513403
                3s
                   +0 :              -0.00010094222144
                4s
                   +0 :               0.00001933068588
                3p
                   -1 :              -0.00003381643438
                   +0 :              -0.00002296854860
                   +1 :               0.00008150930895
                4p
                   -1 :              -0.00002227664222
                   +0 :               0.00000552604578
                   +1 :              -0.00001221065890
                3d
                   -2 :              -0.00011373368189
                   -1 :               0.00000509872888
                   +0 :              -0.00006105524549
                   +1 :              -0.00007817083387
                   +2 :              -0.00003221819042
             15 vec=     5.186775      0.000000    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00011545715984
                2p
                   -1 :              -0.00000246752393
                   +0 :               0.00005179090008
                   +1 :               0.00000672414487
                3s
                   +0 :              -0.00010094222144
                4s
                   +0 :               0.00001933068588
                3p
                   -1 :              -0.00005368091500
                   +0 :              -0.00002296854860
                   +1 :              -0.00007004054571
                4p
                   -1 :               0.00002171306192
                   +0 :               0.00000552604578
                   +1 :              -0.00001318680863
                3d
                   -2 :               0.00002896506958
                   -1 :               0.00006514856352
                   +0 :              -0.00006105524549
                   +1 :               0.00004350104567
                   +2 :               0.00011460535299
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al(  8)  npairs=  12
              1 vec=    -2.593388     -4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00321302449573
                2p
                   -1 :              -0.00046659623538
                   +0 :              -0.00020647150814
                   +1 :               0.00055311768949
                3s
                   +0 :               0.03104868589245
                4s
                   +0 :              -0.00393417875390
                3p
                   -1 :               0.01590069416990
                   +0 :               0.00484566416388
                   +1 :              -0.00069802079663
                4p
                   -1 :              -0.00243496685076
                   +0 :              -0.00044887443403
                   +1 :               0.00105266533601
                3d
                   -2 :              -0.01157133237102
                   -1 :               0.00801294471939
                   +0 :               0.00516307324627
                   +1 :              -0.01025517452114
                   +2 :               0.01041858825043
              2 vec=    -2.593388      4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00321302449573
                2p
                   -1 :              -0.00024571585269
                   +0 :              -0.00020647150814
                   +1 :              -0.00068064303790
                3s
                   +0 :               0.03104868589245
                4s
                   +0 :              -0.00393417875390
                3p
                   -1 :              -0.00734584334270
                   +0 :               0.00484566416388
                   +1 :               0.01411941548726
                4p
                   -1 :               0.00030584850271
                   +0 :              -0.00044887443403
                   +1 :              -0.00263507581813
                3d
                   -2 :               0.01480842828196
                   -1 :               0.00487476929585
                   +0 :               0.00516307324627
                   +1 :               0.01206700094668
                   +2 :               0.00481177366372
              3 vec=     5.186775      0.000000      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00321302449573
                2p
                   -1 :               0.00071231208807
                   +0 :              -0.00020647150814
                   +1 :               0.00012752534841
                3s
                   +0 :               0.03104868589245
                4s
                   +0 :              -0.00393417875390
                3p
                   -1 :              -0.00855485082720
                   +0 :               0.00484566416388
                   +1 :              -0.01342139469063
                4p
                   -1 :               0.00212911834804
                   +0 :              -0.00044887443403
                   +1 :               0.00158241048213
                3d
                   -2 :              -0.00323709591093
                   -1 :              -0.01288771401524
                   +0 :               0.00516307324627
                   +1 :              -0.00181182642555
                   +2 :              -0.01523036191416
              4 vec=   -10.373550     -0.000000      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00002000934552
                2p
                   -1 :              -0.00004523987982
                   +0 :               0.00023403605093
                   +1 :              -0.00042009383179
                3s
                   +0 :               0.00246868512934
                4s
                   +0 :               0.00014687143022
                3p
                   -1 :               0.00243822921361
                   +0 :              -0.00344312459892
                   +1 :               0.00161053011159
                4p
                   -1 :              -0.00023695877559
                   +0 :               0.00056426373367
                   +1 :              -0.00064643192144
                3d
                   -2 :              -0.00053403374392
                   -1 :              -0.00107061130649
                   +0 :               0.00041002922926
                   +1 :               0.00082079121695
                   +2 :              -0.00073604096236
              5 vec=     5.186775     -8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00002000934552
                2p
                   -1 :              -0.00034119199039
                   +0 :               0.00023403605093
                   +1 :               0.00024922580108
                3s
                   +0 :               0.00246868512934
                4s
                   +0 :               0.00014687143022
                3p
                   -1 :               0.00017564538339
                   +0 :              -0.00344312459892
                   +1 :              -0.00291683349502
                4p
                   -1 :              -0.00044134707799
                   +0 :               0.00056426373367
                   +1 :               0.00052842828002
                3d
                   -2 :               0.00090444704359
                   -1 :               0.00124613169832
                   +0 :               0.00041002922926
                   +1 :               0.00051678098052
                   +2 :              -0.00009446630754
              6 vec=     5.186775      8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00002000934552
                2p
                   -1 :               0.00038643187021
                   +0 :               0.00023403605093
                   +1 :               0.00017086803071
                3s
                   +0 :               0.00246868512934
                4s
                   +0 :               0.00014687143022
                3p
                   -1 :              -0.00261387459700
                   +0 :              -0.00344312459892
                   +1 :               0.00130630338344
                4p
                   -1 :               0.00067830585357
                   +0 :               0.00056426373367
                   +1 :               0.00011800364141
                3d
                   -2 :              -0.00037041329967
                   -1 :              -0.00017552039184
                   +0 :               0.00041002922926
                   +1 :              -0.00133757219747
                   +2 :               0.00083050726989
              7 vec=   -10.373550     -8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00035138218877
                2p
                   -1 :               0.00002684201290
                   +0 :               0.00002292594597
                   +1 :               0.00011167560277
                3s
                   +0 :               0.00189194615868
                4s
                   +0 :              -0.00044894455911
                3p
                   -1 :              -0.00058717020309
                   +0 :              -0.00050990352659
                   +1 :              -0.00087239217821
                4p
                   -1 :               0.00003781367185
                   +0 :               0.00008053080566
                   +1 :               0.00019234195832
                3d
                   -2 :               0.00020675993349
                   -1 :               0.00011057291008
                   +0 :              -0.00001031559136
                   +1 :               0.00008408494886
                   +2 :               0.00024385647272
              8 vec=   -10.373550      8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00009563320415
                2p
                   -1 :              -0.00001008077621
                   +0 :              -0.00005638071032
                   +1 :              -0.00008696141555
                3s
                   +0 :               0.00078789897463
                4s
                   +0 :              -0.00012851004768
                3p
                   -1 :               0.00000368868590
                   +0 :               0.00023598280007
                   +1 :               0.00037196689645
                4p
                   -1 :               0.00002464802613
                   +0 :              -0.00003143176993
                   +1 :              -0.00012506675470
                3d
                   -2 :               0.00006527376051
                   -1 :               0.00013393814734
                   +0 :               0.00007070961257
                   +1 :               0.00001649828511
                   +2 :               0.00001762127654
              9 vec=    -2.593388    -13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00009563320415
                2p
                   -1 :              -0.00007027040691
                   +0 :              -0.00005638071032
                   +1 :               0.00005221091606
                3s
                   +0 :               0.00078789897463
                4s
                   +0 :              -0.00012851004768
                3p
                   -1 :               0.00032028843874
                   +0 :               0.00023598280007
                   +1 :              -0.00018917794392
                4p
                   -1 :              -0.00012063499980
                   +0 :              -0.00003143176993
                   +1 :               0.00004118756057
                3d
                   -2 :              -0.00004789735339
                   -1 :              -0.00005268113965
                   +0 :               0.00007070961257
                   +1 :              -0.00012424298069
                   +2 :               0.00004771809653
             10 vec=    -2.593388     13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00035138218877
                2p
                   -1 :              -0.00011013491543
                   +0 :               0.00002292594597
                   +1 :              -0.00003259193633
                3s
                   +0 :               0.00189194615868
                4s
                   +0 :              -0.00044894455911
                3p
                   -1 :               0.00104909888994
                   +0 :              -0.00050990352659
                   +1 :              -0.00007230822311
                4p
                   -1 :              -0.00018547985805
                   +0 :               0.00008053080566
                   +1 :              -0.00006342337873
                3d
                   -2 :               0.00010780593350
                   -1 :              -0.00012810615683
                   +0 :              -0.00001031559136
                   +1 :               0.00005371647468
                   +2 :              -0.00030098759124
             11 vec=    12.966938     -4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00035138218877
                2p
                   -1 :               0.00008329290254
                   +0 :               0.00002292594597
                   +1 :              -0.00007908366645
                3s
                   +0 :               0.00189194615868
                4s
                   +0 :              -0.00044894455911
                3p
                   -1 :              -0.00046192868685
                   +0 :              -0.00050990352659
                   +1 :               0.00094470040133
                4p
                   -1 :               0.00014766618620
                   +0 :               0.00008053080566
                   +1 :              -0.00012891857960
                3d
                   -2 :              -0.00031456586699
                   -1 :               0.00001753324674
                   +0 :              -0.00001031559136
                   +1 :              -0.00013780142353
                   +2 :               0.00005713111853
             12 vec=    12.966938      4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00009563320415
                2p
                   -1 :               0.00008035118312
                   +0 :              -0.00005638071032
                   +1 :               0.00003475049949
                3s
                   +0 :               0.00078789897463
                4s
                   +0 :              -0.00012851004768
                3p
                   -1 :              -0.00032397712464
                   +0 :               0.00023598280007
                   +1 :              -0.00018278895252
                4p
                   -1 :               0.00009598697367
                   +0 :              -0.00003143176993
                   +1 :               0.00008387919413
                3d
                   -2 :              -0.00001737640712
                   -1 :              -0.00008125700770
                   +0 :               0.00007070961257
                   +1 :               0.00010774469558
                   +2 :              -0.00006533937307
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al(  9)  npairs=  12
              1 vec=    -5.186775     -0.000000     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00176086371886
                2p
                   -1 :               0.00020323004255
                   +0 :              -0.00028937686013
                   +1 :              -0.00155090378228
                3s
                   +0 :              -0.01256999129522
                4s
                   +0 :              -0.00135372926591
                3p
                   -1 :               0.00330593592788
                   +0 :              -0.00545341004289
                   +1 :               0.01245238603785
                4p
                   -1 :               0.00282856298642
                   +0 :              -0.00022445070747
                   +1 :               0.00148367087932
                3d
                   -2 :              -0.00554090348535
                   -1 :               0.00313513271506
                   +0 :               0.00303923029729
                   +1 :               0.00057540930355
                   +2 :              -0.00238234987463
              2 vec=     2.593388     -4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00176086371886
                2p
                   -1 :              -0.00144473709556
                   +0 :              -0.00028937686013
                   +1 :               0.00059944951148
                3s
                   +0 :              -0.01256999129522
                4s
                   +0 :              -0.00135372926591
                3p
                   -1 :               0.00913111468257
                   +0 :              -0.00545341004289
                   +1 :              -0.00908921751575
                4p
                   -1 :              -0.00012938482086
                   +0 :              -0.00022445070747
                   +1 :              -0.00319144284210
                3d
                   -2 :               0.00483362725481
                   -1 :              -0.00106924728309
                   +0 :               0.00303923029729
                   +1 :              -0.00300280922725
                   +2 :              -0.00360738824091
              3 vec=     2.593388      4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00176086371886
                2p
                   -1 :               0.00124150705300
                   +0 :              -0.00028937686013
                   +1 :               0.00095145427080
                3s
                   +0 :              -0.01256999129522
                4s
                   +0 :              -0.00135372926591
                3p
                   -1 :              -0.01243705061045
                   +0 :              -0.00545341004289
                   +1 :              -0.00336316852210
                4p
                   -1 :              -0.00269917816555
                   +0 :              -0.00022445070747
                   +1 :               0.00170777196278
                3d
                   -2 :               0.00070727623054
                   -1 :              -0.00206588543198
                   +0 :               0.00303923029729
                   +1 :               0.00242739992371
                   +2 :               0.00598973811554
              4 vec=    -5.186775     -8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :              -0.00033803922792
                2p
                   -1 :               0.00002639756393
                   +0 :               0.00002273949977
                   +1 :              -0.00019096223750
                3s
                   +0 :               0.00464451391312
                4s
                   +0 :              -0.00010531146901
                3p
                   -1 :              -0.00130385128935
                   +0 :              -0.00119115714177
                   +1 :              -0.00164840383153
                4p
                   -1 :              -0.00010852432559
                   +0 :               0.00037114363383
                   +1 :              -0.00029100710664
                3d
                   -2 :               0.00057572254207
                   -1 :               0.00010668092089
                   +0 :               0.00007444575393
                   +1 :               0.00077924719832
                   +2 :               0.00031738020663
              5 vec=    -5.186775      8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :              -0.00033803922792
                2p
                   -1 :               0.00015217936687
                   +0 :               0.00002273949977
                   +1 :               0.00011834207971
                3s
                   +0 :               0.00464451391312
                4s
                   +0 :              -0.00010531146901
                3p
                   -1 :               0.00207948523847
                   +0 :              -0.00119115714177
                   +1 :              -0.00030496642357
                4p
                   -1 :               0.00030628170983
                   +0 :               0.00037114363383
                   +1 :               0.00005151873043
                3d
                   -2 :              -0.00001300194944
                   -1 :              -0.00072818833001
                   +0 :               0.00007444575393
                   +1 :              -0.00029723521157
                   +2 :              -0.00065728045028
              6 vec=    10.373550      0.000000     -3.160987   |vec|=   10.844463
                2s
                   +0 :              -0.00033803922792
                2p
                   -1 :              -0.00017857693080
                   +0 :               0.00002273949977
                   +1 :               0.00007262015779
                3s
                   +0 :               0.00464451391312
                4s
                   +0 :              -0.00010531146901
                3p
                   -1 :              -0.00077563394912
                   +0 :              -0.00119115714177
                   +1 :               0.00195337025510
                4p
                   -1 :              -0.00019775738424
                   +0 :               0.00037114363383
                   +1 :               0.00023948837621
                3d
                   -2 :              -0.00056272059263
                   -1 :               0.00062150740913
                   +0 :               0.00007444575393
                   +1 :              -0.00048201198674
                   +2 :               0.00033990024365
              7 vec=   -12.966938     -4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00010826600553
                2p
                   -1 :               0.00010592141397
                   +0 :              -0.00004052990883
                   +1 :               0.00008562152787
                3s
                   +0 :               0.00065355620730
                4s
                   +0 :              -0.00034663815301
                3p
                   -1 :              -0.00060964272233
                   +0 :               0.00030202708500
                   +1 :              -0.00067810820286
                4p
                   -1 :               0.00025890822720
                   +0 :              -0.00015460909673
                   +1 :               0.00016978402686
                3d
                   -2 :               0.00015533614763
                   -1 :              -0.00007103967071
                   +0 :              -0.00008467671572
                   +1 :              -0.00001664948868
                   +2 :               0.00018453249744
              8 vec=   -12.966938      4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00019038717441
                2p
                   -1 :               0.00008609399738
                   +0 :               0.00001152384867
                   +1 :              -0.00008816395042
                3s
                   +0 :              -0.00133265535168
                4s
                   +0 :               0.00044325147769
                3p
                   -1 :              -0.00087414264374
                   +0 :              -0.00074019424400
                   +1 :               0.00082952020186
                4p
                   -1 :               0.00030289743831
                   +0 :               0.00015270754561
                   +1 :              -0.00023915218987
                3d
                   -2 :               0.00002891615104
                   -1 :              -0.00008434804200
                   +0 :               0.00001502489090
                   +1 :               0.00019699231080
                   +2 :               0.00010319624437
              9 vec=     2.593388    -13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00019038717441
                2p
                   -1 :              -0.00011939921945
                   +0 :               0.00001152384867
                   +1 :              -0.00003047761364
                3s
                   +0 :              -0.00133265535168
                4s
                   +0 :               0.00044325147769
                3p
                   -1 :               0.00115545688963
                   +0 :              -0.00074019424400
                   +1 :               0.00034226963508
                4p
                   -1 :              -0.00035856059095
                   +0 :               0.00015270754561
                   +1 :              -0.00014274078139
                3d
                   -2 :              -0.00010382864472
                   -1 :               0.00021277436650
                   +0 :               0.00001502489090
                   +1 :              -0.00002544860827
                   +2 :              -0.00002655600080
             10 vec=     2.593388     13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00010826600553
                2p
                   -1 :              -0.00012711112524
                   +0 :              -0.00004052990883
                   +1 :               0.00004891987137
                3s
                   +0 :               0.00065355620730
                4s
                   +0 :              -0.00034663815301
                3p
                   -1 :               0.00089208029135
                   +0 :               0.00030202708500
                   +1 :              -0.00018891198334
                4p
                   -1 :              -0.00027649139402
                   +0 :              -0.00015460909673
                   +1 :               0.00013932908858
                3d
                   -2 :               0.00008214175679
                   -1 :               0.00004993871551
                   +0 :              -0.00008467671572
                   +1 :              -0.00005319741517
                   +2 :              -0.00022679129870
             11 vec=    10.373550     -8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00010826600553
                2p
                   -1 :               0.00002118971126
                   +0 :              -0.00004052990883
                   +1 :              -0.00013454139924
                3s
                   +0 :               0.00065355620730
                4s
                   +0 :              -0.00034663815301
                3p
                   -1 :              -0.00028243756902
                   +0 :               0.00030202708500
                   +1 :               0.00086702018620
                4p
                   -1 :               0.00001758316681
                   +0 :              -0.00015460909673
                   +1 :              -0.00030911311544
                3d
                   -2 :              -0.00023747790442
                   -1 :               0.00002110095520
                   +0 :              -0.00008467671572
                   +1 :               0.00006984690385
                   +2 :               0.00004225880126
             12 vec=    10.373550      8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00019038717441
                2p
                   -1 :               0.00003330522207
                   +0 :               0.00001152384867
                   +1 :               0.00011864156406
                3s
                   +0 :              -0.00133265535168
                4s
                   +0 :               0.00044325147769
                3p
                   -1 :              -0.00028131424590
                   +0 :              -0.00074019424400
                   +1 :              -0.00117178983694
                4p
                   -1 :               0.00005566315264
                   +0 :               0.00015270754561
                   +1 :               0.00038189297125
                3d
                   -2 :               0.00007491249368
                   -1 :              -0.00012842632451
                   +0 :               0.00001502489090
                   +1 :              -0.00017154370253
                   +2 :              -0.00007664024357
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al( 10)  npairs=  12
              1 vec=    -5.186775     -0.000000      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00010758206068
                2p
                   -1 :              -0.00071689346304
                   +0 :              -0.00004325834037
                   +1 :              -0.00026437341832
                3s
                   +0 :               0.00552022954376
                4s
                   +0 :               0.00000363103484
                3p
                   -1 :               0.01104743405671
                   +0 :               0.00672504875871
                   +1 :               0.01072536301765
                4p
                   -1 :              -0.00109098127389
                   +0 :               0.00012187615084
                   +1 :              -0.00117028437221
                3d
                   -2 :              -0.00152753517647
                   -1 :               0.00564821690452
                   +0 :               0.00285858835984
                   +1 :              -0.00165551424828
                   +2 :              -0.00763205962406
              2 vec=     2.593388     -4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00010758206068
                2p
                   -1 :               0.00012949263517
                   +0 :              -0.00004325834037
                   +1 :               0.00075303465996
                3s
                   +0 :               0.00552022954376
                4s
                   +0 :               0.00000363103484
                3p
                   -1 :               0.00376471980974
                   +0 :               0.00672504875871
                   +1 :              -0.01493004004857
                4p
                   -1 :              -0.00046800535904
                   +0 :               0.00012187615084
                   +1 :               0.00152995968435
                3d
                   -2 :               0.00737332510586
                   -1 :              -0.00425782584760
                   +0 :               0.00285858835984
                   +1 :              -0.00406374220126
                   +2 :               0.00249314554404
              3 vec=     2.593388      4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00010758206068
                2p
                   -1 :               0.00058740082787
                   +0 :              -0.00004325834037
                   +1 :              -0.00048866124164
                3s
                   +0 :               0.00552022954376
                4s
                   +0 :               0.00000363103484
                3p
                   -1 :              -0.01481215386645
                   +0 :               0.00672504875871
                   +1 :               0.00420467703092
                4p
                   -1 :               0.00155898663293
                   +0 :               0.00012187615084
                   +1 :              -0.00035967531213
                3d
                   -2 :              -0.00584578992940
                   -1 :              -0.00139039105692
                   +0 :               0.00285858835984
                   +1 :               0.00571925644954
                   +2 :               0.00513891408002
              4 vec=    -5.186775     -8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00020536186827
                2p
                   -1 :              -0.00011733781025
                   +0 :              -0.00010929329887
                   +1 :              -0.00008724078444
                3s
                   +0 :               0.00298237284426
                4s
                   +0 :               0.00016310902181
                3p
                   -1 :              -0.00145097483752
                   +0 :               0.00294866159815
                   +1 :               0.00256656346042
                4p
                   -1 :              -0.00025093038731
                   +0 :              -0.00034925332062
                   +1 :              -0.00039192240777
                3d
                   -2 :              -0.00064477124142
                   -1 :              -0.00113878969222
                   +0 :               0.00015962279327
                   +1 :               0.00039194598108
                   +2 :              -0.00032075976779
              5 vec=    -5.186775      8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00020536186827
                2p
                   -1 :               0.00013422164070
                   +0 :              -0.00010929329887
                   +1 :              -0.00005799713228
                3s
                   +0 :               0.00298237284426
                4s
                   +0 :               0.00016310902181
                3p
                   -1 :              -0.00149722173839
                   +0 :               0.00294866159815
                   +1 :              -0.00253986279975
                4p
                   -1 :               0.00046487995510
                   +0 :              -0.00034925332062
                   +1 :              -0.00002135088610
                3d
                   -2 :               0.00004459951329
                   -1 :               0.00022995966959
                   +0 :               0.00015962279327
                   +1 :              -0.00118219379357
                   +2 :               0.00071876815860
              6 vec=    10.373550      0.000000      4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00020536186827
                2p
                   -1 :              -0.00001688383045
                   +0 :              -0.00010929329887
                   +1 :               0.00014523791672
                3s
                   +0 :               0.00298237284426
                4s
                   +0 :               0.00016310902181
                3p
                   -1 :               0.00294819657591
                   +0 :               0.00294866159815
                   +1 :              -0.00002670066067
                4p
                   -1 :              -0.00021394956779
                   +0 :              -0.00034925332062
                   +1 :               0.00041327329388
                3d
                   -2 :               0.00060017172813
                   -1 :               0.00090883002264
                   +0 :               0.00015962279327
                   +1 :               0.00079024781250
                   +2 :              -0.00039800839080
              7 vec=   -12.966938     -4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00028110849392
                2p
                   -1 :               0.00002269754240
                   +0 :               0.00000525721559
                   +1 :               0.00008818589123
                3s
                   +0 :               0.00158490450540
                4s
                   +0 :              -0.00028453632836
                3p
                   -1 :               0.00001812504360
                   +0 :               0.00039072877105
                   +1 :              -0.00088102925252
                4p
                   -1 :               0.00002816551079
                   +0 :              -0.00001623003560
                   +1 :               0.00009656992722
                3d
                   -2 :               0.00019251340593
                   -1 :              -0.00004661420215
                   +0 :              -0.00008214812582
                   +1 :              -0.00016787461851
                   +2 :               0.00003759135283
              8 vec=   -12.966938      4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00003459514174
                2p
                   -1 :              -0.00000694399787
                   +0 :               0.00003990661110
                   +1 :               0.00003423364587
                3s
                   +0 :               0.00046563074597
                4s
                   +0 :              -0.00001092088223
                3p
                   -1 :               0.00001155116836
                   +0 :              -0.00004258173727
                   +1 :              -0.00021349200428
                4p
                   -1 :               0.00006028356426
                   +0 :               0.00013557267854
                   +1 :               0.00005113362891
                3d
                   -2 :              -0.00002321636289
                   -1 :               0.00003831924677
                   +0 :               0.00004524044142
                   +1 :               0.00002045945008
                   +2 :               0.00002900156858
              9 vec=     2.593388    -13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00003459514174
                2p
                   -1 :               0.00003311920592
                   +0 :               0.00003990661110
                   +1 :              -0.00001110314437
                3s
                   +0 :               0.00046563074597
                4s
                   +0 :              -0.00001092088223
                3p
                   -1 :              -0.00019066508339
                   +0 :              -0.00004258173727
                   +1 :               0.00009674239690
                4p
                   -1 :               0.00001414123949
                   +0 :               0.00013557267854
                   +1 :              -0.00007777391253
                3d
                   -2 :              -0.00001350791369
                   -1 :              -0.00000144121987
                   +0 :               0.00004524044142
                   +1 :              -0.00004341516620
                   +2 :              -0.00003460674434
             10 vec=     2.593388     13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00028110849392
                2p
                   -1 :              -0.00008771999326
                   +0 :               0.00000525721559
                   +1 :              -0.00002443629729
                3s
                   +0 :               0.00158490450540
                4s
                   +0 :              -0.00028453632836
                3p
                   -1 :               0.00075393119236
                   +0 :               0.00039072877105
                   +1 :               0.00045621137446
                4p
                   -1 :              -0.00009771476561
                   +0 :              -0.00001623003560
                   +1 :              -0.00002389291575
                3d
                   -2 :              -0.00006370163645
                   -1 :               0.00016869078535
                   +0 :              -0.00008214812582
                   +1 :               0.00004356822601
                   +2 :              -0.00018551717652
             11 vec=    10.373550     -8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00028110849392
                2p
                   -1 :               0.00006502245086
                   +0 :               0.00000525721559
                   +1 :              -0.00006374959394
                3s
                   +0 :               0.00158490450540
                4s
                   +0 :              -0.00028453632836
                3p
                   -1 :              -0.00077205623596
                   +0 :               0.00039072877105
                   +1 :               0.00042481787806
                4p
                   -1 :               0.00006954925482
                   +0 :              -0.00001623003560
                   +1 :              -0.00007267701147
                3d
                   -2 :              -0.00012881176948
                   -1 :              -0.00012207658320
                   +0 :              -0.00008214812582
                   +1 :               0.00012430639249
                   +2 :               0.00014792582369
             12 vec=    10.373550      8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00003459514174
                2p
                   -1 :              -0.00002617520805
                   +0 :               0.00003990661110
                   +1 :              -0.00002313050149
                3s
                   +0 :               0.00046563074597
                4s
                   +0 :              -0.00001092088223
                3p
                   -1 :               0.00017911391504
                   +0 :              -0.00004258173727
                   +1 :               0.00011674960738
                4p
                   -1 :              -0.00007442480375
                   +0 :               0.00013557267854
                   +1 :               0.00002664028362
                3d
                   -2 :               0.00003672427658
                   -1 :              -0.00003687802690
                   +0 :               0.00004524044142
                   +1 :               0.00002295571612
                   +2 :               0.00000560517576
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al( 11)  npairs=  15
              1 vec=    -5.186775     -0.000000     -8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00469054543474
                2p
                   -1 :              -0.00156891367677
                   +0 :               0.00158634257589
                   +1 :               0.00161238484601
                3s
                   +0 :               0.01560434038154
                4s
                   +0 :              -0.00510467203529
                3p
                   -1 :               0.01148903093756
                   +0 :              -0.00833617510172
                   +1 :              -0.00790496247411
                4p
                   -1 :              -0.00258883071247
                   +0 :               0.00182393787288
                   +1 :               0.00129686044662
                3d
                   -2 :              -0.00159509797614
                   -1 :              -0.00258317260969
                   +0 :               0.00080302863930
                   +1 :               0.00202218804359
                   +2 :               0.00070048569909
              2 vec=     2.593388     -4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00469054543474
                2p
                   -1 :               0.00218082307570
                   +0 :               0.00158634257589
                   +1 :               0.00055252667742
                3s
                   +0 :               0.01560434038154
                4s
                   +0 :              -0.00510467203529
                3p
                   -1 :              -0.01259041378732
                   +0 :              -0.00833617510172
                   +1 :              -0.00599731141973
                4p
                   -1 :               0.00241752944818
                   +0 :               0.00182393787288
                   +1 :               0.00159356293979
                3d
                   -2 :               0.00019091057767
                   -1 :               0.00304285252182
                   +0 :               0.00080302863930
                   +1 :               0.00122599908056
                   +2 :              -0.00173163821841
              3 vec=     2.593388      4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00469054543474
                2p
                   -1 :              -0.00061190939893
                   +0 :               0.00158634257589
                   +1 :              -0.00216491152343
                3s
                   +0 :               0.01560434038154
                4s
                   +0 :              -0.00510467203529
                3p
                   -1 :               0.00110138284977
                   +0 :              -0.00833617510172
                   +1 :               0.01390227389385
                4p
                   -1 :               0.00017130126430
                   +0 :               0.00182393787288
                   +1 :              -0.00289042338641
                3d
                   -2 :               0.00140418739847
                   -1 :              -0.00045967991213
                   +0 :               0.00080302863930
                   +1 :              -0.00324818712415
                   +2 :               0.00103115251932
              4 vec=    -5.186775     -8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00054249993863
                2p
                   -1 :              -0.00013371932369
                   +0 :              -0.00002221737428
                   +1 :              -0.00010456248608
                3s
                   +0 :              -0.00186459639818
                4s
                   +0 :               0.00048255785949
                3p
                   -1 :               0.00088970826837
                   +0 :              -0.00023117091065
                   +1 :               0.00017312688034
                4p
                   -1 :              -0.00021595526633
                   +0 :               0.00009224268958
                   +1 :              -0.00003019554693
                3d
                   -2 :               0.00017135436297
                   -1 :              -0.00013682742455
                   +0 :              -0.00009339245811
                   +1 :               0.00011388989536
                   +2 :               0.00010782318292
              5 vec=    -5.186775      8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00054249993863
                2p
                   -1 :               0.00015741343107
                   +0 :              -0.00002221737428
                   +1 :              -0.00006352308825
                3s
                   +0 :              -0.00186459639818
                4s
                   +0 :               0.00048255785949
                3p
                   -1 :              -0.00059478641064
                   +0 :              -0.00023117091065
                   +1 :               0.00068394652219
                4p
                   -1 :               0.00013412774389
                   +0 :               0.00009224268958
                   +1 :              -0.00017192497326
                3d
                   -2 :               0.00000770043404
                   -1 :              -0.00003021783034
                   +0 :              -0.00009339245811
                   +1 :              -0.00017544097327
                   +2 :              -0.00020230882284
              6 vec=    10.373550      0.000000     -8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00054249993863
                2p
                   -1 :              -0.00002369410738
                   +0 :              -0.00002221737428
                   +1 :               0.00016808557433
                3s
                   +0 :              -0.00186459639818
                4s
                   +0 :               0.00048255785949
                3p
                   -1 :              -0.00029492185773
                   +0 :              -0.00023117091065
                   +1 :              -0.00085707340254
                4p
                   -1 :               0.00008182752244
                   +0 :               0.00009224268958
                   +1 :               0.00020212052019
                3d
                   -2 :              -0.00017905479701
                   -1 :               0.00016704525489
                   +0 :              -0.00009339245811
                   +1 :               0.00006155107792
                   +2 :               0.00009448563992
              7 vec=   -12.966938     -4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00000971006501
                2p
                   -1 :               0.00003506117724
                   +0 :              -0.00007225806446
                   +1 :              -0.00003582815470
                3s
                   +0 :              -0.00027633174942
                4s
                   +0 :               0.00017512129165
                3p
                   -1 :              -0.00009396483476
                   +0 :               0.00040078292813
                   +1 :               0.00037401080582
                4p
                   -1 :               0.00001744771285
                   +0 :              -0.00013589488512
                   +1 :              -0.00013693563180
                3d
                   -2 :              -0.00005066752495
                   -1 :              -0.00006485856420
                   +0 :              -0.00007393969600
                   +1 :              -0.00004866527020
                   +2 :               0.00000246221701
              8 vec=   -12.966938      4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00009454791383
                2p
                   -1 :              -0.00001838990543
                   +0 :              -0.00004650189958
                   +1 :              -0.00009347340660
                3s
                   +0 :              -0.00011434861023
                4s
                   +0 :              -0.00006306088469
                3p
                   -1 :               0.00016974871647
                   +0 :               0.00011727712340
                   +1 :               0.00022892417531
                4p
                   -1 :              -0.00009194051632
                   +0 :               0.00005822348451
                   +1 :              -0.00007142070719
                3d
                   -2 :              -0.00006829313351
                   -1 :               0.00006909643743
                   +0 :              -0.00000652199403
                   +1 :              -0.00004408923685
                   +2 :              -0.00004561108467
              9 vec=     2.593388    -13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00009454791383
                2p
                   -1 :              -0.00007175539197
                   +0 :              -0.00004650189958
                   +1 :               0.00006266282858
                3s
                   +0 :              -0.00011434861023
                4s
                   +0 :              -0.00006306088469
                3p
                   -1 :               0.00011337979312
                   +0 :               0.00011727712340
                   +1 :              -0.00026146878838
                4p
                   -1 :              -0.00001588188862
                   +0 :               0.00005822348451
                   +1 :               0.00011533317636
                3d
                   -2 :               0.00007364692477
                   -1 :              -0.00007273061786
                   +0 :              -0.00000652199403
                   +1 :              -0.00003779465170
                   +2 :              -0.00003633804619
             10 vec=     2.593388     13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00000971006501
                2p
                   -1 :               0.00001349750352
                   +0 :              -0.00007225806446
                   +1 :               0.00004827794753
                3s
                   +0 :              -0.00027633174942
                4s
                   +0 :               0.00017512129165
                3p
                   -1 :              -0.00027692044175
                   +0 :               0.00040078292813
                   +1 :              -0.00026838133687
                4p
                   -1 :               0.00010986587939
                   +0 :              -0.00013589488512
                   +1 :               0.00008357797847
                3d
                   -2 :               0.00002746610495
                   -1 :               0.00007457464238
                   +0 :              -0.00007393969600
                   +1 :              -0.00003183652915
                   +2 :               0.00004264825525
             11 vec=    10.373550     -8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00000971006501
                2p
                   -1 :              -0.00004855868076
                   +0 :              -0.00007225806446
                   +1 :              -0.00001244979283
                3s
                   +0 :              -0.00027633174942
                4s
                   +0 :               0.00017512129165
                3p
                   -1 :               0.00037088527651
                   +0 :               0.00040078292813
                   +1 :              -0.00010562946895
                4p
                   -1 :              -0.00012731359225
                   +0 :              -0.00013589488512
                   +1 :               0.00005335765333
                3d
                   -2 :               0.00002320141999
                   -1 :              -0.00000971607818
                   +0 :              -0.00007393969600
                   +1 :               0.00008050179935
                   +2 :              -0.00004511047226
             12 vec=    10.373550      8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00009454791383
                2p
                   -1 :               0.00009014529741
                   +0 :              -0.00004650189958
                   +1 :               0.00003081057802
                3s
                   +0 :              -0.00011434861023
                4s
                   +0 :              -0.00006306088469
                3p
                   -1 :              -0.00028312850959
                   +0 :               0.00011727712340
                   +1 :               0.00003254461307
                4p
                   -1 :               0.00010782240494
                   +0 :               0.00005822348451
                   +1 :              -0.00004391246917
                3d
                   -2 :              -0.00000535379126
                   -1 :               0.00000363418043
                   +0 :              -0.00000652199403
                   +1 :               0.00008188388855
                   +2 :               0.00008194913086
             13 vec=    -5.186775     -0.000000     16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00003412299196
                2p
                   -1 :              -0.00000691060940
                   +0 :               0.00000791233988
                   +1 :               0.00000443103944
                3s
                   +0 :              -0.00015293330308
                4s
                   +0 :               0.00004994980591
                3p
                   -1 :               0.00009930191461
                   +0 :              -0.00008122680759
                   +1 :              -0.00005302567054
                4p
                   -1 :              -0.00002617377225
                   +0 :               0.00003518681492
                   +1 :               0.00001930974918
                3d
                   -2 :              -0.00001734946819
                   -1 :              -0.00000287431659
                   +0 :              -0.00000974628714
                   +1 :               0.00001283685072
                   +2 :              -0.00001102872916
             14 vec=     2.593388     -4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00003412299196
                2p
                   -1 :               0.00000729269742
                   +0 :               0.00000791233988
                   +1 :               0.00000376924357
                3s
                   +0 :              -0.00015293330308
                4s
                   +0 :               0.00004994980591
                3p
                   -1 :              -0.00009557253505
                   +0 :              -0.00008122680759
                   +1 :              -0.00005948514543
                4p
                   -1 :               0.00002980961946
                   +0 :               0.00003518681492
                   +1 :               0.00001301227709
                3d
                   -2 :               0.00001822589372
                   -1 :               0.00001255419712
                   +0 :              -0.00000974628714
                   +1 :              -0.00000392919418
                   +2 :              -0.00000951071561
             15 vec=     2.593388      4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00003412299196
                2p
                   -1 :              -0.00000038208802
                   +0 :               0.00000791233988
                   +1 :              -0.00000820028301
                3s
                   +0 :              -0.00015293330308
                4s
                   +0 :               0.00004994980591
                3p
                   -1 :              -0.00000372937956
                   +0 :              -0.00008122680759
                   +1 :               0.00011251081597
                4p
                   -1 :              -0.00000363584721
                   +0 :               0.00003518681492
                   +1 :              -0.00003232202627
                3d
                   -2 :              -0.00000087642553
                   -1 :              -0.00000967988054
                   +0 :              -0.00000974628714
                   +1 :              -0.00000890765654
                   +2 :               0.00002053944477
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site Al( 12)  npairs=  15
              1 vec=    -5.186775     -0.000000      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00019843817897
                2p
                   -1 :               0.00005956814446
                   +0 :              -0.00016079728603
                   +1 :              -0.00045984542715
                3s
                   +0 :              -0.00376975381912
                4s
                   +0 :               0.00036416818681
                3p
                   -1 :               0.00281979460544
                   +0 :              -0.00050429860422
                   +1 :               0.00530929063355
                4p
                   -1 :              -0.00004191125913
                   +0 :              -0.00016441960777
                   +1 :              -0.00074706940989
                3d
                   -2 :              -0.00086338920709
                   -1 :               0.00098399021506
                   +0 :               0.00023294122675
                   +1 :               0.00101456364561
                   +2 :              -0.00067327250207
              2 vec=     2.593388     -4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00019843817897
                2p
                   -1 :              -0.00042802189396
                   +0 :              -0.00016079728603
                   +1 :               0.00017833518722
                3s
                   +0 :              -0.00376975381912
                4s
                   +0 :               0.00036416818681
                3p
                   -1 :               0.00318808326201
                   +0 :              -0.00050429860422
                   +1 :              -0.00509665907854
                4p
                   -1 :              -0.00062602545779
                   +0 :              -0.00016441960777
                   +1 :               0.00040983092006
                3d
                   -2 :               0.00101476569401
                   -1 :               0.00038664278332
                   +0 :               0.00023294122675
                   +1 :              -0.00135944234612
                   +2 :              -0.00041108073566
              3 vec=     2.593388      4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00019843817897
                2p
                   -1 :               0.00036845374950
                   +0 :              -0.00016079728603
                   +1 :               0.00028151023993
                3s
                   +0 :              -0.00376975381912
                4s
                   +0 :               0.00036416818681
                3p
                   -1 :              -0.00600787786745
                   +0 :              -0.00050429860422
                   +1 :              -0.00021263155501
                4p
                   -1 :               0.00066793671692
                   +0 :              -0.00016441960777
                   +1 :               0.00033723848983
                3d
                   -2 :              -0.00015137648692
                   -1 :              -0.00137063299838
                   +0 :               0.00023294122675
                   +1 :               0.00034487870051
                   +2 :               0.00108435323773
              4 vec=    -5.186775     -8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :              -0.00035938574348
                2p
                   -1 :              -0.00000016867798
                   +0 :              -0.00010940521062
                   +1 :               0.00001523374502
                3s
                   +0 :               0.00248812876822
                4s
                   +0 :              -0.00074764421157
                3p
                   -1 :              -0.00053989707181
                   +0 :               0.00108950961885
                   +1 :              -0.00046580567288
                4p
                   -1 :               0.00008625026429
                   +0 :              -0.00031377050793
                   +1 :               0.00016068221251
                3d
                   -2 :              -0.00000982810287
                   -1 :              -0.00010982295197
                   +0 :               0.00013007142357
                   +1 :              -0.00006480476488
                   +2 :               0.00012559906732
              5 vec=    -5.186775      8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :              -0.00035938574348
                2p
                   -1 :              -0.00001310847119
                   +0 :              -0.00010940521062
                   +1 :              -0.00000776295193
                3s
                   +0 :               0.00248812876822
                4s
                   +0 :              -0.00074764421157
                3p
                   -1 :               0.00067334808185
                   +0 :               0.00108950961885
                   +1 :              -0.00023466174318
                4p
                   -1 :              -0.00018228001012
                   +0 :              -0.00031377050793
                   +1 :              -0.00000564618630
                3d
                   -2 :               0.00011368603443
                   -1 :               0.00011103404865
                   +0 :               0.00013007142357
                   +1 :              -0.00006270708388
                   +2 :              -0.00005428814690
              6 vec=    10.373550      0.000000      9.112784   |vec|=   13.807729
                2s
                   +0 :              -0.00035938574348
                2p
                   -1 :               0.00001327714917
                   +0 :              -0.00010940521062
                   +1 :              -0.00000747079309
                3s
                   +0 :               0.00248812876822
                4s
                   +0 :              -0.00074764421157
                3p
                   -1 :              -0.00013345101004
                   +0 :               0.00108950961885
                   +1 :               0.00070046741606
                4p
                   -1 :               0.00009602974583
                   +0 :              -0.00031377050793
                   +1 :              -0.00015503602622
                3d
                   -2 :              -0.00010385793155
                   -1 :              -0.00000121109669
                   +0 :               0.00013007142357
                   +1 :               0.00012751184876
                   +2 :              -0.00007131092042
              7 vec=    -5.186775     -0.000000    -15.434758   |vec|=   16.282948
                2s
                   +0 :               0.00004633776545
                2p
                   -1 :              -0.00005548511595
                   +0 :              -0.00010495289744
                   +1 :               0.00009455691564
                3s
                   +0 :              -0.00056407604988
                4s
                   +0 :               0.00011147039017
                3p
                   -1 :               0.00012624137191
                   +0 :               0.00073794391297
                   +1 :              -0.00040595354401
                4p
                   -1 :              -0.00002700669623
                   +0 :              -0.00021024337896
                   +1 :               0.00012084201814
                3d
                   -2 :               0.00000201403948
                   -1 :               0.00006193572969
                   +0 :              -0.00007905410325
                   +1 :              -0.00006616620782
                   +2 :               0.00009749094939
              8 vec=     2.593388     -4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :               0.00004633776545
                2p
                   -1 :               0.00010963124902
                   +0 :              -0.00010495289744
                   +1 :               0.00000077306213
                3s
                   +0 :              -0.00056407604988
                4s
                   +0 :               0.00011147039017
                3p
                   -1 :              -0.00041468676782
                   +0 :               0.00073794391297
                   +1 :               0.00009364853692
                4p
                   -1 :               0.00011815560567
                   +0 :              -0.00021024337896
                   +1 :              -0.00003703252407
                3d
                   -2 :              -0.00008543665855
                   -1 :              -0.00008826948169
                   +0 :              -0.00007905410325
                   +1 :              -0.00002055481140
                   +2 :              -0.00004700126534
              9 vec=     2.593388      4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :               0.00004633776545
                2p
                   -1 :              -0.00005414613307
                   +0 :              -0.00010495289744
                   +1 :              -0.00009532997776
                3s
                   +0 :              -0.00056407604988
                4s
                   +0 :               0.00011147039017
                3p
                   -1 :               0.00028844539591
                   +0 :               0.00073794391297
                   +1 :               0.00031230500709
                4p
                   -1 :              -0.00009114890944
                   +0 :              -0.00021024337896
                   +1 :              -0.00008380949407
                3d
                   -2 :               0.00008342261907
                   -1 :               0.00002633375200
                   +0 :              -0.00007905410325
                   +1 :               0.00008672101923
                   +2 :              -0.00005048968405
             10 vec=   -12.966938     -4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00032078401972
                2p
                   -1 :               0.00004432846205
                   +0 :              -0.00011697150939
                   +1 :               0.00007214722416
                3s
                   +0 :               0.00145857507869
                4s
                   +0 :              -0.00040766054365
                3p
                   -1 :              -0.00021907154729
                   +0 :               0.00069935707399
                   +1 :              -0.00045558641143
                4p
                   -1 :               0.00003140363750
                   +0 :              -0.00015968741272
                   +1 :               0.00008132587025
                3d
                   -2 :               0.00007214453229
                   -1 :              -0.00006195513584
                   +0 :               0.00002360092676
                   +1 :              -0.00011614413046
                   +2 :               0.00002847494168
             11 vec=   -12.966938      4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00001292998988
                2p
                   -1 :              -0.00000496738437
                   +0 :               0.00002860121597
                   +1 :              -0.00002881227166
                3s
                   +0 :               0.00002216466551
                4s
                   +0 :               0.00006448833395
                3p
                   -1 :              -0.00007026349615
                   +0 :              -0.00015370141595
                   +1 :               0.00012652758349
                4p
                   -1 :               0.00000661035563
                   +0 :               0.00005308192693
                   +1 :              -0.00005317745958
                3d
                   -2 :               0.00004220142103
                   -1 :               0.00001550395381
                   +0 :              -0.00002255087157
                   +1 :               0.00004858196627
                   +2 :              -0.00000827524175
             12 vec=     2.593388    -13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00001292998988
                2p
                   -1 :              -0.00002246846702
                   +0 :               0.00002860121597
                   +1 :               0.00001870801689
                3s
                   +0 :               0.00002216466551
                4s
                   +0 :               0.00006448833395
                3p
                   -1 :               0.00014470784966
                   +0 :              -0.00015370141595
                   +1 :              -0.00000241381912
                4p
                   -1 :              -0.00004935820872
                   +0 :               0.00005308192693
                   +1 :               0.00002086399388
                3d
                   -2 :              -0.00001393414094
                   -1 :               0.00003432124005
                   +0 :              -0.00002255087157
                   +1 :              -0.00003771780099
                   +2 :               0.00004068512356
             13 vec=     2.593388     13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00032078401972
                2p
                   -1 :              -0.00008464555996
                   +0 :              -0.00011697150939
                   +1 :               0.00000231596216
                3s
                   +0 :               0.00145857507869
                4s
                   +0 :              -0.00040766054365
                3p
                   -1 :               0.00050408517956
                   +0 :               0.00069935707399
                   +1 :               0.00003807168051
                4p
                   -1 :              -0.00008613208837
                   +0 :              -0.00015968741272
                   +1 :              -0.00001346658728
                3d
                   -2 :              -0.00001141224328
                   -1 :               0.00013156133540
                   +0 :               0.00002360092676
                   +1 :               0.00000441734369
                   +2 :              -0.00007671646855
             14 vec=    10.373550     -8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00032078401972
                2p
                   -1 :               0.00004031709791
                   +0 :              -0.00011697150939
                   +1 :              -0.00007446318633
                3s
                   +0 :               0.00145857507869
                4s
                   +0 :              -0.00040766054365
                3p
                   -1 :              -0.00028501363227
                   +0 :               0.00069935707399
                   +1 :               0.00041751473091
                4p
                   -1 :               0.00005472845087
                   +0 :              -0.00015968741272
                   +1 :              -0.00006785928297
                3d
                   -2 :              -0.00006073228901
                   -1 :              -0.00006960619956
                   +0 :               0.00002360092676
                   +1 :               0.00011172678677
                   +2 :               0.00004824152687
             15 vec=    10.373550      8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00001292998988
                2p
                   -1 :               0.00002743585139
                   +0 :               0.00002860121597
                   +1 :               0.00001010425478
                3s
                   +0 :               0.00002216466551
                4s
                   +0 :               0.00006448833395
                3p
                   -1 :              -0.00007444435351
                   +0 :              -0.00015370141595
                   +1 :              -0.00012411376437
                4p
                   -1 :               0.00004274785309
                   +0 :               0.00005308192693
                   +1 :               0.00003231346570
                3d
                   -2 :              -0.00002826728009
                   -1 :              -0.00004982519386
                   +0 :              -0.00002255087157
                   +1 :              -0.00001086416528
                   +2 :              -0.00003240988182
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 13)  npairs=  14
              1 vec=     2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :              -0.00330335508621
                2s
                   +0 :               0.04231167142338
                3s
                   +0 :              -0.00877444760282
                2p
                   -1 :              -0.01684253880142
                   +0 :              -0.01346704445037
                   +1 :               0.02933520009647
                3p
                   -1 :               0.00654870527617
                   +0 :              -0.00152883522479
                   +1 :              -0.01168313758366
                3d
                   -2 :              -0.00521672501453
                   -1 :              -0.00028165666767
                   +0 :              -0.00740002122904
                   +1 :               0.00065711497734
                   +2 :               0.00329815861128
              2 vec=    -5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :              -0.00116267629140
                2s
                   +0 :               0.00948312574499
                3s
                   +0 :              -0.00185629544772
                2p
                   -1 :              -0.00476827338908
                   +0 :               0.00590427711257
                   +1 :              -0.00226619956308
                3p
                   -1 :               0.00342716340172
                   +0 :              -0.00096786652349
                   +1 :               0.00164678453710
                3d
                   -2 :               0.00021677714081
                   -1 :               0.00039990475358
                   +0 :               0.00057988742773
                   +1 :              -0.00027367414100
                   +2 :              -0.00009742761445
              3 vec=    -5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00116507323963
                2s
                   +0 :               0.01106814328630
                3s
                   +0 :              -0.00189552045559
                2p
                   -1 :              -0.00662257812857
                   +0 :               0.00147113132501
                   +1 :              -0.00684708212294
                3p
                   -1 :               0.00009689850282
                   +0 :              -0.00105324125760
                   +1 :               0.00199628232612
                3d
                   -2 :               0.00049281248938
                   -1 :               0.00017180880035
                   +0 :              -0.00041701927851
                   +1 :               0.00011611989929
                   +2 :              -0.00051249869683
              4 vec=     2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00093849512633
                2s
                   +0 :               0.00914431894116
                3s
                   +0 :              -0.00084191350937
                2p
                   -1 :               0.00773028770535
                   +0 :              -0.00197667530744
                   +1 :               0.00203458333259
                3p
                   -1 :              -0.00076263826681
                   +0 :               0.00200092669010
                   +1 :               0.00080928837544
                3d
                   -2 :               0.00055144963775
                   -1 :               0.00030076926716
                   +0 :              -0.00041701720994
                   +1 :               0.00011411032225
                   +2 :              -0.00024857189760
              5 vec=     2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00000694842754
                2s
                   +0 :               0.00081400639956
                3s
                   +0 :               0.00017013534201
                2p
                   -1 :              -0.00067857350532
                   +0 :              -0.00076952350547
                   +1 :              -0.00028211235027
                3p
                   -1 :               0.00003623547733
                   +0 :               0.00037038438073
                   +1 :               0.00008457286330
                3d
                   -2 :              -0.00001745532448
                   -1 :              -0.00002132090337
                   +0 :               0.00007226557446
                   +1 :               0.00001471269319
                   +2 :              -0.00002948491544
              6 vec=    10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00010946091409
                2s
                   +0 :               0.00108615371028
                3s
                   +0 :              -0.00020221192042
                2p
                   -1 :               0.00003079507307
                   +0 :              -0.00100162290424
                   +1 :               0.00062589130511
                3p
                   -1 :               0.00019293242926
                   +0 :               0.00050610290548
                   +1 :              -0.00034041037442
                3d
                   -2 :               0.00002089963213
                   -1 :               0.00003138436067
                   +0 :              -0.00004876751859
                   +1 :               0.00001770353575
                   +2 :               0.00003166321482
              7 vec=    10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :              -0.00016485576291
                2s
                   +0 :               0.00198383523563
                3s
                   +0 :               0.00010694294216
                2p
                   -1 :              -0.00015345627697
                   +0 :              -0.00022404033387
                   +1 :               0.00000132338187
                3p
                   -1 :              -0.00019671617084
                   +0 :               0.00024114699671
                   +1 :               0.00051658486891
                3d
                   -2 :               0.00001918117798
                   -1 :              -0.00000068943966
                   +0 :              -0.00002808770904
                   +1 :               0.00013893602985
                   +2 :               0.00000782017039
              8 vec=   -13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00027258336264
                2s
                   +0 :               0.00250352119611
                3s
                   +0 :              -0.00057234849237
                2p
                   -1 :               0.00000561329477
                   +0 :               0.00006185729564
                   +1 :              -0.00232098561569
                3p
                   -1 :               0.00019604314403
                   +0 :              -0.00011893358808
                   +1 :               0.00071280351167
                3d
                   -2 :              -0.00003503280903
                   -1 :               0.00002285267605
                   +0 :              -0.00004738955727
                   +1 :              -0.00000127327469
                   +2 :               0.00005704594636
              9 vec=    -5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00023659412252
                2s
                   +0 :               0.00231881464877
                3s
                   +0 :              -0.00043905037211
                2p
                   -1 :               0.00175604376250
                   +0 :              -0.00023957732828
                   +1 :              -0.00148926192858
                3p
                   -1 :              -0.00043415834283
                   +0 :               0.00011475171975
                   +1 :               0.00039255405876
                3d
                   -2 :              -0.00007295771839
                   -1 :               0.00004003838385
                   +0 :              -0.00005313427311
                   +1 :               0.00001190979353
                   +2 :              -0.00001202614063
             10 vec=   -13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00003600549241
                2s
                   +0 :               0.00033889211409
                3s
                   +0 :              -0.00004631290650
                2p
                   -1 :               0.00001332367147
                   +0 :               0.00006570294255
                   +1 :              -0.00020694787961
                3p
                   -1 :               0.00010311008141
                   +0 :              -0.00001756016516
                   +1 :               0.00007915984448
                3d
                   -2 :               0.00000077285673
                   -1 :               0.00001527467230
                   +0 :              -0.00000901274671
                   +1 :               0.00000407411518
                   +2 :              -0.00000950669106
             11 vec=    -5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00003318206629
                2s
                   +0 :               0.00043240922871
                3s
                   +0 :              -0.00004006432161
                2p
                   -1 :              -0.00015957052730
                   +0 :               0.00013414808040
                   +1 :               0.00002640107298
                3p
                   -1 :              -0.00000227577701
                   +0 :              -0.00005424335739
                   +1 :               0.00005756611063
                3d
                   -2 :              -0.00000092587220
                   -1 :               0.00000840120581
                   +0 :               0.00000171894187
                   +1 :               0.00000105942321
                   +2 :              -0.00000915681629
             12 vec=    10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00002726685615
                2s
                   +0 :               0.00040193787595
                3s
                   +0 :               0.00000964467621
                2p
                   -1 :               0.00001421658785
                   +0 :              -0.00004278332188
                   +1 :               0.00024458367586
                3p
                   -1 :               0.00008769950100
                   +0 :               0.00005916408769
                   +1 :              -0.00004161525066
                3d
                   -2 :               0.00001197433428
                   -1 :               0.00001154909069
                   +0 :              -0.00000785129128
                   +1 :               0.00001665309386
                   +2 :              -0.00000179486596
             13 vec=   -13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00003330651715
                2s
                   +0 :               0.00037578584542
                3s
                   +0 :              -0.00005567243175
                2p
                   -1 :              -0.00004761851319
                   +0 :              -0.00004309847792
                   +1 :              -0.00029588183983
                3p
                   -1 :              -0.00006183909799
                   +0 :               0.00001391614406
                   +1 :               0.00010475604341
                3d
                   -2 :              -0.00000482652984
                   -1 :               0.00000986954567
                   +0 :              -0.00000291481148
                   +1 :              -0.00000117632231
                   +2 :              -0.00000773028935
             14 vec=     2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00002629149519
                2s
                   +0 :               0.00034562074691
                3s
                   +0 :              -0.00002826958688
                2p
                   -1 :               0.00027009558016
                   +0 :              -0.00006122138193
                   +1 :              -0.00001177633920
                3p
                   -1 :              -0.00003142183696
                   +0 :               0.00002362355850
                   +1 :               0.00001851706592
                3d
                   -2 :               0.00000034549406
                   -1 :               0.00000381499485
                   +0 :              -0.00000837266459
                   +1 :               0.00000402378601
                   +2 :               0.00000287414106
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 14)  npairs=  14
              1 vec=    -2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :              -0.00330335508621
                2s
                   +0 :               0.04231167142338
                3s
                   +0 :              -0.00877444760282
                2p
                   -1 :              -0.01698375910793
                   +0 :              -0.01346704445037
                   +1 :              -0.02925366651448
                3p
                   -1 :               0.00684354130527
                   +0 :              -0.00152883522479
                   +1 :               0.01151291392289
                3d
                   -2 :               0.00546465165035
                   -1 :              -0.00042824992975
                   +0 :              -0.00740002122904
                   +1 :              -0.00057247931802
                   +2 :               0.00286873708150
              2 vec=     5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :              -0.00116267629140
                2s
                   +0 :               0.00948312574499
                3s
                   +0 :              -0.00185629544772
                2p
                   -1 :               0.00434672308621
                   +0 :               0.00590427711257
                   +1 :              -0.00299634610559
                3p
                   -1 :              -0.00313973894455
                   +0 :              -0.00096786652349
                   +1 :               0.00214461830026
                3d
                   -2 :              -0.00019276335955
                   -1 :               0.00003705638167
                   +0 :               0.00057988742773
                   +1 :               0.00048316474620
                   +2 :              -0.00013902070367
              3 vec=    -2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00116507323963
                2s
                   +0 :               0.01106814328630
                3s
                   +0 :              -0.00189552045559
                2p
                   -1 :               0.00924103612455
                   +0 :               0.00147113132501
                   +1 :              -0.00231177983641
                3p
                   -1 :              -0.00177728045895
                   +0 :              -0.00105324125760
                   +1 :              -0.00091422459803
                3d
                   -2 :              -0.00069024313555
                   -1 :              -0.00018646718285
                   +0 :              -0.00041701927851
                   +1 :               0.00009073083605
                   +2 :              -0.00017053878669
              4 vec=     5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00093849512633
                2s
                   +0 :               0.00914431894116
                3s
                   +0 :              -0.00084191350937
                2p
                   -1 :              -0.00562714470481
                   +0 :              -0.00197667530744
                   +1 :               0.00567733386510
                3p
                   -1 :              -0.00031954515871
                   +0 :               0.00200092669010
                   +1 :              -0.00106510830067
                3d
                   -2 :              -0.00049099439686
                   -1 :              -0.00024920707148
                   +0 :              -0.00041701720994
                   +1 :               0.00020341866491
                   +2 :              -0.00035328344640
              5 vec=   -10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00000694842754
                2s
                   +0 :               0.00081400639956
                3s
                   +0 :               0.00017013534201
                2p
                   -1 :               0.00058360321472
                   +0 :              -0.00076952350547
                   +1 :              -0.00044660571881
                3p
                   -1 :              -0.00009135998675
                   +0 :               0.00037038438073
                   +1 :              -0.00001090558776
                3d
                   -2 :              -0.00001680702356
                   -1 :              -0.00000208111438
                   +0 :               0.00007226557446
                   +1 :              -0.00002582079054
                   +2 :               0.00002985921215
              6 vec=    -2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00010946091409
                2s
                   +0 :               0.00108615371028
                3s
                   +0 :              -0.00020221192042
                2p
                   -1 :              -0.00055743530677
                   +0 :              -0.00100162290424
                   +1 :              -0.00028627633696
                3p
                   -1 :               0.00019833781733
                   +0 :               0.00050610290548
                   +1 :               0.00033728957216
                3d
                   -2 :               0.00001697133233
                   -1 :              -0.00003102389203
                   +0 :              -0.00004876751859
                   +1 :               0.00001832788575
                   +2 :              -0.00003393121976
              7 vec=   -10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :              -0.00016485576291
                2s
                   +0 :               0.00198383523563
                3s
                   +0 :               0.00010694294216
                2p
                   -1 :               0.00007558205617
                   +0 :              -0.00022404033387
                   +1 :              -0.00013355872516
                3p
                   -1 :              -0.00034901753427
                   +0 :               0.00024114699671
                   +1 :              -0.00042865363574
                3d
                   -2 :              -0.00000281812277
                   -1 :              -0.00011997741153
                   +0 :              -0.00002808770904
                   +1 :              -0.00007006508718
                   +2 :              -0.00002052147260
              8 vec=     5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00027258336264
                2s
                   +0 :               0.00250352119611
                3s
                   +0 :              -0.00057234849237
                2p
                   -1 :               0.00200722585762
                   +0 :               0.00006185729564
                   +1 :               0.00116535406371
                3p
                   -1 :              -0.00071532752103
                   +0 :              -0.00011893358808
                   +1 :              -0.00018662341287
                3d
                   -2 :               0.00006691964324
                   -1 :              -0.00001032364979
                   +0 :              -0.00004738955727
                   +1 :               0.00002042763535
                   +2 :               0.00000181632941
              9 vec=    13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00023659412252
                2s
                   +0 :               0.00231881464877
                3s
                   +0 :              -0.00043905037211
                2p
                   -1 :               0.00041171678179
                   +0 :              -0.00023957732828
                   +1 :               0.00226540947277
                3p
                   -1 :              -0.00012288261582
                   +0 :               0.00011475171975
                   +1 :              -0.00057226918353
                3d
                   -2 :               0.00002606391590
                   -1 :              -0.00003033337568
                   +0 :              -0.00005313427311
                   +1 :               0.00002871936078
                   +2 :               0.00006919630785
             10 vec=    13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00003600549241
                2s
                   +0 :               0.00033889211409
                3s
                   +0 :              -0.00004631290650
                2p
                   -1 :               0.00017256028527
                   +0 :               0.00006570294255
                   +1 :               0.00011501257777
                3p
                   -1 :              -0.00012010947698
                   +0 :              -0.00001756016516
                   +1 :               0.00004971602765
                3d
                   -2 :              -0.00000861946433
                   -1 :              -0.00001116562339
                   +0 :              -0.00000901274671
                   +1 :               0.00001119119666
                   +2 :               0.00000408403196
             11 vec=   -10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00003318206629
                2s
                   +0 :               0.00043240922871
                3s
                   +0 :              -0.00004006432161
                2p
                   -1 :               0.00005692126376
                   +0 :               0.00013414808040
                   +1 :              -0.00015139266683
                3p
                   -1 :              -0.00004871582570
                   +0 :              -0.00005424335739
                   +1 :              -0.00003075393602
                3d
                   -2 :              -0.00000746709943
                   -1 :              -0.00000511809031
                   +0 :               0.00000171894187
                   +1 :               0.00000674594605
                   +2 :               0.00000538023700
             12 vec=     5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00002726685615
                2s
                   +0 :               0.00040193787595
                3s
                   +0 :               0.00000964467621
                2p
                   -1 :              -0.00021892397057
                   +0 :              -0.00004278332188
                   +1 :              -0.00010997991169
                3p
                   -1 :              -0.00000780988624
                   +0 :               0.00005916408769
                   +1 :               0.00009675762110
                3d
                   -2 :              -0.00000754156666
                   -1 :              -0.00002019654768
                   +0 :              -0.00000785129128
                   +1 :               0.00000167525899
                   +2 :              -0.00000947264470
             13 vec=    -2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00003330651715
                2s
                   +0 :               0.00037578584542
                3s
                   +0 :              -0.00005567243175
                2p
                   -1 :               0.00028005044641
                   +0 :              -0.00004309847792
                   +1 :               0.00010670207780
                3p
                   -1 :              -0.00005980184580
                   +0 :               0.00001391614406
                   +1 :              -0.00010593225151
                3d
                   -2 :              -0.00000428136203
                   -1 :              -0.00000391604783
                   +0 :              -0.00000291481148
                   +1 :               0.00000913543843
                   +2 :               0.00000804504213
             14 vec=    13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00002629149519
                2s
                   +0 :               0.00034562074691
                3s
                   +0 :              -0.00002826958688
                2p
                   -1 :              -0.00012484918117
                   +0 :              -0.00006122138193
                   +1 :               0.00023979780346
                3p
                   -1 :              -0.00000032533101
                   +0 :               0.00002362355850
                   +1 :              -0.00003647064200
                3d
                   -2 :               0.00000231633214
                   -1 :              -0.00000539219833
                   +0 :              -0.00000837266459
                   +1 :               0.00000129198945
                   +2 :              -0.00000173627717
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 15)  npairs=  14
              1 vec=     0.000000      2.752623      2.510723   |vec|=    3.725676
                1s
                   +0 :              -0.00330335508621
                2s
                   +0 :               0.04231167142338
                3s
                   +0 :              -0.00877444760282
                2p
                   -1 :               0.03382629790935
                   +0 :              -0.01346704445037
                   +1 :              -0.00008153358198
                3p
                   -1 :              -0.01339224658144
                   +0 :              -0.00152883522479
                   +1 :               0.00017022366077
                3d
                   -2 :              -0.00024792663582
                   -1 :               0.00070990659742
                   +0 :              -0.00740002122904
                   +1 :              -0.00008463565932
                   +2 :              -0.00616689569278
              2 vec=     0.000000     -6.231135      2.510723   |vec|=    6.717944
                1s
                   +0 :              -0.00116267629140
                2s
                   +0 :               0.00948312574499
                3s
                   +0 :              -0.00185629544772
                2p
                   -1 :               0.00042155030286
                   +0 :               0.00590427711257
                   +1 :               0.00526254566867
                3p
                   -1 :              -0.00028742445717
                   +0 :              -0.00096786652349
                   +1 :              -0.00379140283736
                3d
                   -2 :              -0.00002401378126
                   -1 :              -0.00043696113526
                   +0 :               0.00057988742773
                   +1 :              -0.00020949060520
                   +2 :               0.00023644831812
              3 vec=    -7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00093849512633
                2s
                   +0 :               0.00914431894116
                3s
                   +0 :              -0.00084191350937
                2p
                   -1 :              -0.00210314300053
                   +0 :              -0.00197667530744
                   +1 :              -0.00771191719769
                3p
                   -1 :               0.00108218342552
                   +0 :               0.00200092669010
                   +1 :               0.00025581992523
                3d
                   -2 :              -0.00006045524089
                   -1 :              -0.00005156219568
                   +0 :              -0.00041701720994
                   +1 :              -0.00031752898716
                   +2 :               0.00060185534400
              4 vec=     7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00116507323963
                2s
                   +0 :               0.01106814328630
                3s
                   +0 :              -0.00189552045559
                2p
                   -1 :              -0.00261845799598
                   +0 :               0.00147113132501
                   +1 :               0.00915886195936
                3p
                   -1 :               0.00168038195613
                   +0 :              -0.00105324125760
                   +1 :              -0.00108205772808
                3d
                   -2 :               0.00019743064618
                   -1 :               0.00001465838250
                   +0 :              -0.00041701927851
                   +1 :              -0.00020685073534
                   +2 :               0.00068303748352
              5 vec=    -7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00010946091409
                2s
                   +0 :               0.00108615371028
                3s
                   +0 :              -0.00020221192042
                2p
                   -1 :               0.00052664023370
                   +0 :              -0.00100162290424
                   +1 :              -0.00033961496815
                3p
                   -1 :              -0.00039127024659
                   +0 :               0.00050610290548
                   +1 :               0.00000312080225
                3d
                   -2 :              -0.00003787096446
                   -1 :              -0.00000036046864
                   +0 :              -0.00004876751859
                   +1 :              -0.00003603142149
                   +2 :               0.00000226800494
              6 vec=     7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00000694842754
                2s
                   +0 :               0.00081400639956
                3s
                   +0 :               0.00017013534201
                2p
                   -1 :               0.00009497029061
                   +0 :              -0.00076952350547
                   +1 :               0.00072871806908
                3p
                   -1 :               0.00005512450942
                   +0 :               0.00037038438073
                   +1 :              -0.00007366727554
                3d
                   -2 :               0.00003426234804
                   -1 :               0.00002340201774
                   +0 :               0.00007226557446
                   +1 :               0.00001110809735
                   +2 :              -0.00000037429671
              7 vec=     0.000000     11.736381      2.510723   |vec|=   12.001932
                1s
                   +0 :              -0.00016485576291
                2s
                   +0 :               0.00198383523563
                3s
                   +0 :               0.00010694294216
                2p
                   -1 :               0.00007787422080
                   +0 :              -0.00022404033387
                   +1 :               0.00013223534329
                3p
                   -1 :               0.00054573370511
                   +0 :               0.00024114699671
                   +1 :              -0.00008793123317
                3d
                   -2 :              -0.00001636305521
                   -1 :               0.00012066685118
                   +0 :              -0.00002808770904
                   +1 :              -0.00006887094267
                   +2 :               0.00001270130222
              8 vec=    -7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00023659412252
                2s
                   +0 :               0.00231881464877
                3s
                   +0 :              -0.00043905037211
                2p
                   -1 :              -0.00216776054429
                   +0 :              -0.00023957732828
                   +1 :              -0.00077614754420
                3p
                   -1 :               0.00055704095866
                   +0 :               0.00011475171975
                   +1 :               0.00017971512478
                3d
                   -2 :               0.00004689380250
                   -1 :              -0.00000970500818
                   +0 :              -0.00005313427311
                   +1 :              -0.00004062915431
                   +2 :              -0.00005717016721
              9 vec=     7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00027258336264
                2s
                   +0 :               0.00250352119611
                3s
                   +0 :              -0.00057234849237
                2p
                   -1 :              -0.00201283915239
                   +0 :               0.00006185729564
                   +1 :               0.00115563155198
                3p
                   -1 :               0.00051928437700
                   +0 :              -0.00011893358808
                   +1 :              -0.00052618009881
                3d
                   -2 :              -0.00003188683422
                   -1 :              -0.00001252902625
                   +0 :              -0.00004738955727
                   +1 :              -0.00001915436066
                   +2 :              -0.00005886227576
             10 vec=     0.000000    -15.214893      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00003600549241
                2s
                   +0 :               0.00033889211409
                3s
                   +0 :              -0.00004631290650
                2p
                   -1 :              -0.00018588395674
                   +0 :               0.00006570294255
                   +1 :               0.00009193530184
                3p
                   -1 :               0.00001699939557
                   +0 :              -0.00001756016516
                   +1 :              -0.00012887587212
                3d
                   -2 :               0.00000784660759
                   -1 :              -0.00000410904891
                   +0 :              -0.00000901274671
                   +1 :              -0.00001526531183
                   +2 :               0.00000542265909
             11 vec=   -15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00002726685615
                2s
                   +0 :               0.00040193787595
                3s
                   +0 :               0.00000964467621
                2p
                   -1 :               0.00020470738272
                   +0 :              -0.00004278332188
                   +1 :              -0.00013460376416
                3p
                   -1 :              -0.00007988961476
                   +0 :               0.00005916408769
                   +1 :              -0.00005514237044
                3d
                   -2 :              -0.00000443276762
                   -1 :               0.00000864745699
                   +0 :              -0.00000785129128
                   +1 :              -0.00001832835286
                   +2 :               0.00001126751066
             12 vec=    15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00003318206629
                2s
                   +0 :               0.00043240922871
                3s
                   +0 :              -0.00004006432161
                2p
                   -1 :               0.00010264926354
                   +0 :               0.00013414808040
                   +1 :               0.00012499159385
                3p
                   -1 :               0.00005099160271
                   +0 :              -0.00005424335739
                   +1 :              -0.00002681217461
                3d
                   -2 :               0.00000839297163
                   -1 :              -0.00000328311550
                   +0 :               0.00000171894187
                   +1 :              -0.00000780536926
                   +2 :               0.00000377657930
             13 vec=   -15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00002629149519
                2s
                   +0 :               0.00034562074691
                3s
                   +0 :              -0.00002826958688
                2p
                   -1 :              -0.00014524639898
                   +0 :              -0.00006122138193
                   +1 :              -0.00022802146427
                3p
                   -1 :               0.00003174716797
                   +0 :               0.00002362355850
                   +1 :               0.00001795357608
                3d
                   -2 :              -0.00000266182620
                   -1 :               0.00000157720348
                   +0 :              -0.00000837266459
                   +1 :              -0.00000531577546
                   +2 :              -0.00000113786389
             14 vec=    15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00003330651715
                2s
                   +0 :               0.00037578584542
                3s
                   +0 :              -0.00005567243175
                2p
                   -1 :              -0.00023243193322
                   +0 :              -0.00004309847792
                   +1 :               0.00018917976203
                3p
                   -1 :               0.00012164094379
                   +0 :               0.00001391614406
                   +1 :               0.00000117620810
                3d
                   -2 :               0.00000910789188
                   -1 :              -0.00000595349784
                   +0 :              -0.00000291481148
                   +1 :              -0.00000795911611
                   +2 :              -0.00000031475278
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 16)  npairs=  13
              1 vec=    -2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :               0.00029487945891
                2s
                   +0 :              -0.00318394532728
                3s
                   +0 :               0.00046095044537
                2p
                   -1 :               0.00102795000109
                   +0 :              -0.00047131177199
                   +1 :               0.00318234163449
                3p
                   -1 :              -0.00088039024902
                   +0 :               0.00141644950656
                   +1 :              -0.00277589357031
                3d
                   -2 :              -0.00021358385986
                   -1 :               0.00004323815487
                   +0 :              -0.00033785794171
                   +1 :               0.00010172444612
                   +2 :               0.00030220741814
              2 vec=     5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :              -0.00028050493728
                2s
                   +0 :               0.00184048935375
                3s
                   +0 :              -0.00081645587396
                2p
                   -1 :               0.00073165617333
                   +0 :              -0.00391667992961
                   +1 :               0.00395563760467
                3p
                   -1 :              -0.00065602333677
                   +0 :               0.00258676334529
                   +1 :              -0.00331729395409
                3d
                   -2 :               0.00004403409347
                   -1 :               0.00003488374198
                   +0 :              -0.00000553710078
                   +1 :               0.00023037805794
                   +2 :              -0.00010000628765
              3 vec=    -2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00015273361288
                2s
                   +0 :              -0.00195007745950
                3s
                   +0 :               0.00009261215474
                2p
                   -1 :              -0.00047505016271
                   +0 :               0.00168424620377
                   +1 :               0.00110176456233
                3p
                   -1 :               0.00084635019049
                   +0 :              -0.00036994239068
                   +1 :               0.00006867321391
                3d
                   -2 :              -0.00012269935235
                   -1 :              -0.00003749077179
                   +0 :               0.00000754955687
                   +1 :              -0.00012873290530
                   +2 :              -0.00000947453709
              4 vec=     5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00032090480115
                2s
                   +0 :              -0.00366874180549
                3s
                   +0 :               0.00029112743510
                2p
                   -1 :              -0.00245829620189
                   +0 :               0.00242196664513
                   +1 :               0.00013277384875
                3p
                   -1 :               0.00119698630678
                   +0 :              -0.00047269958959
                   +1 :               0.00009362466307
                3d
                   -2 :              -0.00003584348821
                   -1 :               0.00015460945840
                   +0 :              -0.00009975582798
                   +1 :               0.00001414049174
                   +2 :              -0.00001238520984
              5 vec=   -10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00007707110406
                2s
                   +0 :              -0.00061912835191
                3s
                   +0 :               0.00020770353081
                2p
                   -1 :               0.00031315460561
                   +0 :               0.00001586785382
                   +1 :               0.00043737041535
                3p
                   -1 :              -0.00006428087398
                   +0 :              -0.00003165064861
                   +1 :              -0.00032407081254
                3d
                   -2 :              -0.00002071767232
                   -1 :               0.00001504280355
                   +0 :              -0.00002119243337
                   +1 :               0.00000016949508
                   +2 :               0.00004927380005
              6 vec=    -2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00019686218373
                2s
                   +0 :              -0.00130971108866
                3s
                   +0 :               0.00054483633803
                2p
                   -1 :              -0.00067487759836
                   +0 :               0.00011137016817
                   +1 :              -0.00006849704805
                3p
                   -1 :               0.00041557959441
                   +0 :              -0.00000192682686
                   +1 :              -0.00001091866450
                3d
                   -2 :              -0.00003218173743
                   -1 :               0.00000001474391
                   +0 :               0.00000986039661
                   +1 :              -0.00003547693894
                   +2 :              -0.00000592292845
              7 vec=    -2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :               0.00003745600258
                2s
                   +0 :              -0.00042242421154
                3s
                   +0 :               0.00001981540112
                2p
                   -1 :               0.00022968564841
                   +0 :              -0.00005728638897
                   +1 :              -0.00009975990853
                3p
                   -1 :              -0.00013735720364
                   +0 :              -0.00010392159591
                   +1 :               0.00001655311274
                3d
                   -2 :              -0.00000511548177
                   -1 :              -0.00000953949318
                   +0 :              -0.00000187873902
                   +1 :              -0.00000855552155
                   +2 :               0.00000571141045
              8 vec=   -10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00003513904897
                2s
                   +0 :              -0.00030630019961
                3s
                   +0 :               0.00015820433188
                2p
                   -1 :              -0.00015974625590
                   +0 :               0.00020774151136
                   +1 :               0.00020192635771
                3p
                   -1 :              -0.00001047183430
                   +0 :              -0.00019068543045
                   +1 :              -0.00004078685318
                3d
                   -2 :               0.00000524500422
                   -1 :               0.00001077047258
                   +0 :               0.00001101863150
                   +1 :              -0.00000321794465
                   +2 :               0.00000906366674
              9 vec=     5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :               0.00001217318085
                2s
                   +0 :              -0.00009474189701
                3s
                   +0 :               0.00004441986929
                2p
                   -1 :               0.00004192691993
                   +0 :               0.00009618821787
                   +1 :              -0.00012349193795
                3p
                   -1 :               0.00006580673346
                   +0 :              -0.00003216456140
                   +1 :              -0.00002457430305
                3d
                   -2 :               0.00000681112908
                   -1 :               0.00000655904230
                   +0 :               0.00000497949311
                   +1 :              -0.00000886519388
                   +2 :              -0.00000968313724
             10 vec=     5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00000784133656
                2s
                   +0 :              -0.00008063707257
                3s
                   +0 :              -0.00007228843502
                2p
                   -1 :              -0.00000004980386
                   +0 :               0.00010586321820
                   +1 :               0.00020225610279
                3p
                   -1 :               0.00015109077860
                   +0 :              -0.00012114517194
                   +1 :              -0.00021055059110
                3d
                   -2 :               0.00001463639804
                   -1 :               0.00000081391608
                   +0 :               0.00001145699629
                   +1 :              -0.00000423817119
                   +2 :               0.00001754319850
             11 vec=    13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00003686535126
                2s
                   +0 :              -0.00025574393754
                3s
                   +0 :               0.00014928850247
                2p
                   -1 :              -0.00012991496727
                   +0 :               0.00003234060172
                   +1 :              -0.00018579471930
                3p
                   -1 :               0.00003292133376
                   +0 :              -0.00013175354886
                   +1 :               0.00010025629660
                3d
                   -2 :              -0.00001253367361
                   -1 :               0.00000308412527
                   +0 :              -0.00000806436166
                   +1 :              -0.00001608673150
                   +2 :               0.00000734372230
             12 vec=    -2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00005542250022
                2s
                   +0 :              -0.00066661373889
                3s
                   +0 :               0.00008707791040
                2p
                   -1 :               0.00017832557867
                   +0 :              -0.00057123497186
                   +1 :               0.00030390382928
                3p
                   -1 :              -0.00007443512459
                   +0 :               0.00015455554162
                   +1 :              -0.00001729738458
                3d
                   -2 :              -0.00001741408477
                   -1 :               0.00000572790489
                   +0 :              -0.00001848195618
                   +1 :               0.00002851815765
                   +2 :              -0.00000872204373
             13 vec=     5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00001718541403
                2s
                   +0 :              -0.00024270977309
                3s
                   +0 :              -0.00001437618943
                2p
                   -1 :              -0.00031919214719
                   +0 :              -0.00024258785675
                   +1 :               0.00004287880447
                3p
                   -1 :               0.00000067876701
                   +0 :              -0.00000906924929
                   +1 :               0.00001352856070
                3d
                   -2 :              -0.00000500081233
                   -1 :              -0.00003401405173
                   +0 :              -0.00001010356804
                   +1 :               0.00000546381979
                   +2 :               0.00002015265438
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 17)  npairs=  13
              1 vec=     2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :               0.00029487945891
                2s
                   +0 :              -0.00318394532728
                3s
                   +0 :               0.00046095044537
                2p
                   -1 :              -0.00326996369953
                   +0 :              -0.00047131177199
                   +1 :              -0.00070094000248
                3p
                   -1 :               0.00284418947460
                   +0 :               0.00141644950656
                   +1 :               0.00062550646426
                3d
                   -2 :               0.00036851123125
                   -1 :              -0.00010971503196
                   +0 :              -0.00033785794171
                   +1 :              -0.00001341688253
                   +2 :               0.00003386533941
              2 vec=    -5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :              -0.00028050493728
                2s
                   +0 :               0.00184048935375
                3s
                   +0 :              -0.00081645587396
                2p
                   -1 :              -0.00379151074048
                   +0 :              -0.00391667992961
                   +1 :              -0.00134418596939
                3p
                   -1 :               0.00320087250444
                   +0 :               0.00258676334529
                   +1 :               0.00109051410193
                3d
                   -2 :              -0.00010862503238
                   -1 :              -0.00021695512164
                   +0 :              -0.00000553710078
                   +1 :              -0.00008497882224
                   +2 :               0.00001186850024
              3 vec=    -5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00015273361288
                2s
                   +0 :              -0.00195007745950
                3s
                   +0 :               0.00009261215474
                2p
                   -1 :              -0.00071663101861
                   +0 :               0.00168424620377
                   +1 :              -0.00096228779014
                3p
                   -1 :              -0.00048264784305
                   +0 :              -0.00036994239068
                   +1 :               0.00069862415850
                3d
                   -2 :               0.00005314448637
                   -1 :               0.00013023135218
                   +0 :               0.00000754955687
                   +1 :               0.00003189849187
                   +2 :               0.00011099802471
              4 vec=     2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00032090480115
                2s
                   +0 :              -0.00366874180549
                3s
                   +0 :               0.00029112743510
                2p
                   -1 :               0.00111416257497
                   +0 :               0.00242196664513
                   +1 :              -0.00219533388524
                3p
                   -1 :              -0.00067957449003
                   +0 :              -0.00047269958959
                   +1 :               0.00098980821812
                3d
                   -2 :               0.00000719583775
                   -1 :              -0.00008955075427
                   +0 :              -0.00009975582798
                   +1 :               0.00012682547277
                   +2 :               0.00003723397627
              5 vec=     2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00007707110406
                2s
                   +0 :              -0.00061912835191
                3s
                   +0 :               0.00020770353081
                2p
                   -1 :              -0.00053535119336
                   +0 :               0.00001586785382
                   +1 :               0.00005251463610
                3p
                   -1 :               0.00031279399327
                   +0 :              -0.00003165064861
                   +1 :               0.00010636653643
                3d
                   -2 :               0.00005303119875
                   -1 :              -0.00000766818882
                   +0 :              -0.00002119243337
                   +1 :               0.00001294270248
                   +2 :              -0.00000669486949
              6 vec=    10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00019686218373
                2s
                   +0 :              -0.00130971108866
                3s
                   +0 :               0.00054483633803
                2p
                   -1 :               0.00039675898287
                   +0 :               0.00011137016817
                   +1 :              -0.00055021262060
                3p
                   -1 :              -0.00019833395637
                   +0 :              -0.00000192682686
                   +1 :               0.00036536181830
                3d
                   -2 :               0.00001096146221
                   -1 :               0.00003071655842
                   +0 :               0.00000986039661
                   +1 :               0.00001775123807
                   +2 :               0.00003083166638
              7 vec=     2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :               0.00003745600258
                2s
                   +0 :              -0.00042242421154
                3s
                   +0 :               0.00001981540112
                2p
                   -1 :              -0.00002844820914
                   +0 :              -0.00005728638897
                   +1 :               0.00024879356067
                3p
                   -1 :               0.00005434318567
                   +0 :              -0.00010392159591
                   +1 :              -0.00012723138411
                3d
                   -2 :               0.00000750396742
                   -1 :               0.00001217904559
                   +0 :              -0.00000187873902
                   +1 :              -0.00000398368266
                   +2 :               0.00000157443194
              8 vec=    10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00003513904897
                2s
                   +0 :              -0.00030630019961
                3s
                   +0 :               0.00015820433188
                2p
                   -1 :              -0.00009500022752
                   +0 :               0.00020774151136
                   +1 :              -0.00023930749462
                3p
                   -1 :               0.00004055836814
                   +0 :              -0.00019068543045
                   +1 :               0.00001132455206
                3d
                   -2 :               0.00000522686354
                   -1 :              -0.00000259841447
                   +0 :               0.00001101863150
                   +1 :               0.00001093647519
                   +2 :              -0.00000907414026
              9 vec=    -5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :               0.00001217318085
                2s
                   +0 :              -0.00009474189701
                3s
                   +0 :               0.00004441986929
                2p
                   -1 :               0.00008598369546
                   +0 :               0.00009618821787
                   +1 :               0.00009805574674
                3p
                   -1 :              -0.00001162139601
                   +0 :              -0.00003216456140
                   +1 :               0.00006927745444
                3d
                   -2 :              -0.00001179140738
                   -1 :               0.00000439796195
                   +0 :               0.00000497949311
                   +1 :               0.00001011289420
                   +2 :              -0.00000105704219
             10 vec=   -13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00000784133656
                2s
                   +0 :              -0.00008063707257
                3s
                   +0 :              -0.00007228843502
                2p
                   -1 :              -0.00017513402115
                   +0 :               0.00010586321820
                   +1 :              -0.00010117118281
                3p
                   -1 :               0.00010679677137
                   +0 :              -0.00012114517194
                   +1 :               0.00023612374810
                3d
                   -2 :               0.00000787465654
                   -1 :               0.00000326340588
                   +0 :               0.00001145699629
                   +1 :               0.00000282395759
                   +2 :              -0.00002144709177
             11 vec=    -5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00003686535126
                2s
                   +0 :              -0.00025574393754
                3s
                   +0 :               0.00014928850247
                2p
                   -1 :               0.00022586043044
                   +0 :               0.00003234060172
                   +1 :              -0.00001961230234
                3p
                   -1 :              -0.00010328516663
                   +0 :              -0.00013175354886
                   +1 :              -0.00002161743694
                3d
                   -2 :               0.00001262668687
                   -1 :               0.00001238945550
                   +0 :              -0.00000806436166
                   +1 :               0.00001071429658
                   +2 :               0.00000718261859
             12 vec=    -5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00005542250022
                2s
                   +0 :              -0.00066661373889
                3s
                   +0 :               0.00008707791040
                2p
                   -1 :              -0.00035235122580
                   +0 :              -0.00057123497186
                   +1 :               0.00000248256663
                3p
                   -1 :               0.00005219753676
                   +0 :               0.00015455554162
                   +1 :              -0.00005581401654
                3d
                   -2 :               0.00000115353094
                   -1 :              -0.00002756140144
                   +0 :              -0.00001848195618
                   +1 :              -0.00000929856768
                   +2 :               0.00001944206166
             13 vec=     2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00001718541403
                2s
                   +0 :              -0.00024270977309
                3s
                   +0 :              -0.00001437618943
                2p
                   -1 :               0.00012246193964
                   +0 :              -0.00024258785675
                   +1 :              -0.00029786791039
                3p
                   -1 :              -0.00001205546075
                   +0 :              -0.00000906924929
                   +1 :              -0.00000617645087
                3d
                   -2 :               0.00001995311681
                   -1 :               0.00001227521913
                   +0 :              -0.00001010356804
                   +1 :              -0.00003218894277
                   +2 :              -0.00000574549667
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 18)  npairs=  13
              1 vec=     0.000000     -2.752623     -9.763049   |vec|=   10.143671
                1s
                   +0 :               0.00029487945891
                2s
                   +0 :              -0.00318394532728
                3s
                   +0 :               0.00046095044537
                2p
                   -1 :               0.00224201369844
                   +0 :              -0.00047131177199
                   +1 :              -0.00248140163201
                3p
                   -1 :              -0.00196379922558
                   +0 :               0.00141644950656
                   +1 :               0.00215038710605
                3d
                   -2 :              -0.00015492737139
                   -1 :               0.00006647687709
                   +0 :              -0.00033785794171
                   +1 :              -0.00008830756359
                   +2 :              -0.00033607275755
              2 vec=     0.000000      6.231135     -9.763049   |vec|=   11.582062
                1s
                   +0 :              -0.00028050493728
                2s
                   +0 :               0.00184048935375
                3s
                   +0 :              -0.00081645587396
                2p
                   -1 :               0.00305985456714
                   +0 :              -0.00391667992961
                   +1 :              -0.00261145163528
                3p
                   -1 :              -0.00254484916768
                   +0 :               0.00258676334529
                   +1 :               0.00222677985216
                3d
                   -2 :               0.00006459093891
                   -1 :               0.00018207137966
                   +0 :              -0.00000553710078
                   +1 :              -0.00014539923570
                   +2 :               0.00008813778740
              3 vec=    -7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00032090480115
                2s
                   +0 :              -0.00366874180549
                3s
                   +0 :               0.00029112743510
                2p
                   -1 :               0.00134413362692
                   +0 :               0.00242196664513
                   +1 :               0.00206256003649
                3p
                   -1 :              -0.00051741181675
                   +0 :              -0.00047269958959
                   +1 :              -0.00108343288119
                3d
                   -2 :               0.00002864765046
                   -1 :              -0.00006505870414
                   +0 :              -0.00009975582798
                   +1 :              -0.00014096596451
                   +2 :              -0.00002484876643
              4 vec=     7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00015273361288
                2s
                   +0 :              -0.00195007745950
                3s
                   +0 :               0.00009261215474
                2p
                   -1 :               0.00119168118132
                   +0 :               0.00168424620377
                   +1 :              -0.00013947677218
                3p
                   -1 :              -0.00036370234743
                   +0 :              -0.00036994239068
                   +1 :              -0.00076729737242
                3d
                   -2 :               0.00006955486598
                   -1 :              -0.00009274058040
                   +0 :               0.00000754955687
                   +1 :               0.00009683441342
                   +2 :              -0.00010152348762
              5 vec=    -7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00019686218373
                2s
                   +0 :              -0.00130971108866
                3s
                   +0 :               0.00054483633803
                2p
                   -1 :               0.00027811861548
                   +0 :               0.00011137016817
                   +1 :               0.00061870966865
                3p
                   -1 :              -0.00021724563804
                   +0 :              -0.00000192682686
                   +1 :              -0.00035444315381
                3d
                   -2 :               0.00002122027522
                   -1 :              -0.00003073130232
                   +0 :               0.00000986039661
                   +1 :               0.00001772570087
                   +2 :              -0.00002490873793
              6 vec=     7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00007707110406
                2s
                   +0 :              -0.00061912835191
                3s
                   +0 :               0.00020770353081
                2p
                   -1 :               0.00022219658775
                   +0 :               0.00001586785382
                   +1 :              -0.00048988505145
                3p
                   -1 :              -0.00024851311929
                   +0 :              -0.00003165064861
                   +1 :               0.00021770427611
                3d
                   -2 :              -0.00003231352643
                   -1 :              -0.00000737461473
                   +0 :              -0.00002119243337
                   +1 :              -0.00001311219756
                   +2 :              -0.00004257893056
              7 vec=     0.000000     -2.752623     14.784494   |vec|=   15.038557
                1s
                   +0 :               0.00003745600258
                2s
                   +0 :              -0.00042242421154
                3s
                   +0 :               0.00001981540112
                2p
                   -1 :              -0.00020123743927
                   +0 :              -0.00005728638897
                   +1 :              -0.00014903365214
                3p
                   -1 :               0.00008301401797
                   +0 :              -0.00010392159591
                   +1 :               0.00011067827137
                3d
                   -2 :              -0.00000238848566
                   -1 :              -0.00000263955241
                   +0 :              -0.00000187873902
                   +1 :               0.00001253920421
                   +2 :              -0.00000728584239
              8 vec=     0.000000    -11.736381     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00003513904897
                2s
                   +0 :              -0.00030630019961
                3s
                   +0 :               0.00015820433188
                2p
                   -1 :               0.00025474648342
                   +0 :               0.00020774151136
                   +1 :               0.00003738113691
                3p
                   -1 :              -0.00003008653384
                   +0 :              -0.00019068543045
                   +1 :               0.00002946230112
                3d
                   -2 :              -0.00001047186775
                   -1 :              -0.00000817205811
                   +0 :               0.00001101863150
                   +1 :              -0.00000771853054
                   +2 :               0.00000001047353
              9 vec=     0.000000      6.231135     14.784494   |vec|=   16.043949
                1s
                   +0 :               0.00001217318085
                2s
                   +0 :              -0.00009474189701
                3s
                   +0 :               0.00004441986929
                2p
                   -1 :              -0.00012791061539
                   +0 :               0.00009618821787
                   +1 :               0.00002543619121
                3p
                   -1 :              -0.00005418533745
                   +0 :              -0.00003216456140
                   +1 :              -0.00004470315139
                3d
                   -2 :               0.00000498027830
                   -1 :              -0.00001095700426
                   +0 :               0.00000497949311
                   +1 :              -0.00000124770032
                   +2 :               0.00001074017943
             10 vec=    -7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00003686535126
                2s
                   +0 :              -0.00025574393754
                3s
                   +0 :               0.00014928850247
                2p
                   -1 :              -0.00009594546316
                   +0 :               0.00003234060172
                   +1 :               0.00020540702164
                3p
                   -1 :               0.00007036383287
                   +0 :              -0.00013175354886
                   +1 :              -0.00007863885967
                3d
                   -2 :              -0.00000009301327
                   -1 :              -0.00001547358078
                   +0 :              -0.00000806436166
                   +1 :               0.00000537243491
                   +2 :              -0.00001452634090
             11 vec=     7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00000784133656
                2s
                   +0 :              -0.00008063707257
                3s
                   +0 :              -0.00007228843502
                2p
                   -1 :               0.00017518382502
                   +0 :               0.00010586321820
                   +1 :              -0.00010108491998
                3p
                   -1 :              -0.00025788754997
                   +0 :              -0.00012114517194
                   +1 :              -0.00002557315700
                3d
                   -2 :              -0.00002251105458
                   -1 :              -0.00000407732195
                   +0 :               0.00001145699629
                   +1 :               0.00000141421360
                   +2 :               0.00000390389327
             12 vec=    -7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00001718541403
                2s
                   +0 :              -0.00024270977309
                3s
                   +0 :              -0.00001437618943
                2p
                   -1 :               0.00019673020755
                   +0 :              -0.00024258785675
                   +1 :               0.00025498910592
                3p
                   -1 :               0.00001137669373
                   +0 :              -0.00000906924929
                   +1 :              -0.00000735210983
                3d
                   -2 :              -0.00001495230448
                   -1 :               0.00002173883260
                   +0 :              -0.00001010356804
                   +1 :               0.00002672512299
                   +2 :              -0.00001440715771
             13 vec=     7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00005542250022
                2s
                   +0 :              -0.00066661373889
                3s
                   +0 :               0.00008707791040
                2p
                   -1 :               0.00017402564713
                   +0 :              -0.00057123497186
                   +1 :              -0.00030638639591
                3p
                   -1 :               0.00002223758783
                   +0 :               0.00015455554162
                   +1 :               0.00007311140111
                3d
                   -2 :               0.00001626055383
                   -1 :               0.00002183349655
                   +0 :              -0.00001848195618
                   +1 :              -0.00001921958997
                   +2 :              -0.00001072001793
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 19)  npairs=  15
              1 vec=    -0.209286      3.115418     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00018827890261
                2s
                   +0 :              -0.00175828487253
                3s
                   +0 :               0.00024669238630
                2p
                   -1 :              -0.00015052696093
                   +0 :              -0.00124979669847
                   +1 :               0.00087050381563
                3p
                   -1 :              -0.00028661925977
                   +0 :               0.00038844348517
                   +1 :              -0.00078047066741
                3d
                   -2 :              -0.00006748630843
                   -1 :              -0.00005864734317
                   +0 :               0.00001363769432
                   +1 :              -0.00009221784033
                   +2 :              -0.00009659556858
              2 vec=    -0.209286     -5.868340     10.693237   |vec|=   12.199448
                1s
                   +0 :               0.00027687236314
                2s
                   +0 :              -0.00353035718534
                3s
                   +0 :               0.00039665460165
                2p
                   -1 :               0.00204287811262
                   +0 :              -0.00175808740458
                   +1 :               0.00006363551379
                3p
                   -1 :              -0.00064163116845
                   +0 :               0.00013662840934
                   +1 :               0.00011296445852
                3d
                   -2 :               0.00000460841848
                   -1 :               0.00010460256376
                   +0 :              -0.00012357612480
                   +1 :               0.00001883834635
                   +2 :               0.00006821451599
              3 vec=     7.570876     -1.376461     10.693237   |vec|=   13.174146
                1s
                   +0 :              -0.00001752404698
                2s
                   +0 :               0.00040900267538
                3s
                   +0 :               0.00011418162237
                2p
                   -1 :               0.00036578678176
                   +0 :               0.00035618448335
                   +1 :              -0.00050766705025
                3p
                   -1 :              -0.00006951039574
                   +0 :               0.00008838359843
                   +1 :               0.00040053591988
                3d
                   -2 :               0.00001939066048
                   -1 :               0.00001046031725
                   +0 :               0.00002990269107
                   +1 :               0.00004847234166
                   +2 :               0.00002233156498
              4 vec=    -7.989449     -1.376461     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00009755024199
                2s
                   +0 :               0.00100496021507
                3s
                   +0 :              -0.00012677479593
                2p
                   -1 :              -0.00023476333904
                   +0 :               0.00089503390491
                   +1 :              -0.00022413624455
                3p
                   -1 :               0.00024164101624
                   +0 :              -0.00034300662086
                   +1 :               0.00024758109876
                3d
                   -2 :              -0.00001062361834
                   -1 :               0.00000072064779
                   +0 :              -0.00000536513299
                   +1 :               0.00000462417225
                   +2 :               0.00001610988949
              5 vec=    -0.209286      3.115418    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00021280506152
                2s
                   +0 :              -0.00167498839460
                3s
                   +0 :               0.00075058075646
                2p
                   -1 :              -0.00019696171938
                   +0 :               0.00130165802362
                   +1 :              -0.00020091508976
                3p
                   -1 :              -0.00003133756987
                   +0 :              -0.00096805594475
                   +1 :               0.00015510690847
                3d
                   -2 :              -0.00001354960914
                   -1 :              -0.00000907959971
                   +0 :               0.00007128747807
                   +1 :              -0.00001922750378
                   +2 :              -0.00001573458584
              6 vec=    -0.209286     -5.868340    -13.854306   |vec|=   15.047359
                1s
                   +0 :               0.00005916205155
                2s
                   +0 :              -0.00063945606015
                3s
                   +0 :               0.00005475651712
                2p
                   -1 :              -0.00016395966244
                   +0 :               0.00015454777469
                   +1 :               0.00050807458973
                3p
                   -1 :               0.00017399897732
                   +0 :               0.00010285589132
                   +1 :              -0.00036051631145
                3d
                   -2 :              -0.00000318304135
                   -1 :              -0.00002168153147
                   +0 :              -0.00003764096735
                   +1 :               0.00001741307952
                   +2 :              -0.00000220220077
              7 vec=     7.570876      7.607297     10.693237   |vec|=   15.150394
                1s
                   +0 :              -0.00000817181662
                2s
                   +0 :               0.00015651812106
                3s
                   +0 :               0.00000482537075
                2p
                   -1 :              -0.00016916974739
                   +0 :               0.00029926778572
                   +1 :               0.00024465504832
                3p
                   -1 :               0.00000195428087
                   +0 :              -0.00003889937308
                   +1 :              -0.00003392249792
                3d
                   -2 :               0.00000456317547
                   -1 :               0.00001635812424
                   +0 :               0.00000437108011
                   +1 :               0.00002169280953
                   +2 :               0.00003398926442
              8 vec=    -7.989449      7.607297     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00002331292824
                2s
                   +0 :               0.00010675601360
                3s
                   +0 :              -0.00009389582639
                2p
                   -1 :              -0.00016316434603
                   +0 :               0.00024794535890
                   +1 :              -0.00037444347324
                3p
                   -1 :              -0.00006020306498
                   +0 :              -0.00010957358760
                   +1 :               0.00029190349715
                3d
                   -2 :               0.00002494156268
                   -1 :               0.00000150422301
                   +0 :               0.00000765969762
                   +1 :               0.00000374017045
                   +2 :               0.00001353930756
              9 vec=     7.570876     -1.376461    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00012483084574
                2s
                   +0 :              -0.00088579662345
                3s
                   +0 :               0.00030638675774
                2p
                   -1 :              -0.00039424042446
                   +0 :               0.00073514413687
                   +1 :              -0.00029005466305
                3p
                   -1 :               0.00055543340330
                   +0 :              -0.00054943680764
                   +1 :               0.00027740726695
                3d
                   -2 :               0.00000732395505
                   -1 :              -0.00008788446413
                   +0 :               0.00002539048596
                   +1 :              -0.00003902693303
                   +2 :               0.00004732893912
             10 vec=    -7.989449     -1.376461    -13.854306   |vec|=   16.052032
                1s
                   +0 :               0.00005662113995
                2s
                   +0 :              -0.00059677094254
                3s
                   +0 :               0.00006571951733
                2p
                   -1 :               0.00039295580048
                   +0 :               0.00043726826053
                   +1 :               0.00031506224066
                3p
                   -1 :              -0.00001595087120
                   +0 :              -0.00007639466432
                   +1 :              -0.00027071242478
                3d
                   -2 :              -0.00001511307546
                   -1 :              -0.00006171657602
                   +0 :              -0.00001456766613
                   +1 :               0.00000771706987
                   +2 :               0.00003167160093
             11 vec=    -0.209286     12.099176     10.693237   |vec|=   16.148658
                1s
                   +0 :              -0.00002822274246
                2s
                   +0 :               0.00032427004363
                3s
                   +0 :              -0.00003238697101
                2p
                   -1 :               0.00005280330965
                   +0 :               0.00031014295917
                   +1 :              -0.00013424112987
                3p
                   -1 :               0.00000290162624
                   +0 :              -0.00010179389006
                   +1 :               0.00013670122849
                3d
                   -2 :               0.00000522717342
                   -1 :               0.00001062317039
                   +0 :               0.00000193700130
                   +1 :               0.00002296424318
                   +2 :               0.00000331588945
             12 vec=     7.570876    -10.360219     10.693237   |vec|=   16.703222
                1s
                   +0 :              -0.00003255013773
                2s
                   +0 :               0.00033139010305
                3s
                   +0 :              -0.00008998060269
                2p
                   -1 :              -0.00015229544926
                   +0 :               0.00029375522103
                   +1 :              -0.00007951631196
                3p
                   -1 :               0.00005133945471
                   +0 :              -0.00018043660351
                   +1 :               0.00005589005810
                3d
                   -2 :              -0.00000600573837
                   -1 :               0.00000266771892
                   +0 :              -0.00000486855176
                   +1 :               0.00000046970972
                   +2 :              -0.00000351124657
             13 vec=    -7.989449    -10.360219     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00001090916674
                2s
                   +0 :               0.00020374512939
                3s
                   +0 :              -0.00000692255290
                2p
                   -1 :              -0.00007501243628
                   +0 :               0.00018297630031
                   +1 :              -0.00010353627636
                3p
                   -1 :              -0.00006813563188
                   +0 :              -0.00007167266533
                   +1 :               0.00006370267653
                3d
                   -2 :              -0.00000009968554
                   -1 :              -0.00000197554668
                   +0 :              -0.00000164404438
                   +1 :               0.00000631404631
                   +2 :              -0.00001001203305
             14 vec=     7.570876      7.607297    -13.854306   |vec|=   17.525151
                1s
                   +0 :               0.00000641043853
                2s
                   +0 :              -0.00036862057829
                3s
                   +0 :              -0.00009828336258
                2p
                   -1 :              -0.00001330643759
                   +0 :               0.00025498899342
                   +1 :              -0.00021474794770
                3p
                   -1 :              -0.00007043183795
                   +0 :               0.00010276416795
                   +1 :              -0.00004373734104
                3d
                   -2 :              -0.00001027887408
                   -1 :               0.00000053392902
                   +0 :              -0.00002363906123
                   +1 :               0.00002942972262
                   +2 :              -0.00001314616093
             15 vec=    -7.989449      7.607297    -13.854306   |vec|=   17.709998
                1s
                   +0 :               0.00003461316156
                2s
                   +0 :              -0.00034428742733
                3s
                   +0 :               0.00005856472305
                2p
                   -1 :               0.00000092797120
                   +0 :               0.00018259664184
                   +1 :               0.00024977389520
                3p
                   -1 :              -0.00004235253214
                   +0 :              -0.00006226995918
                   +1 :              -0.00009375121199
                3d
                   -2 :              -0.00000434879764
                   -1 :              -0.00001070951389
                   +0 :               0.00000034611769
                   +1 :              -0.00001221976750
                   +2 :              -0.00000788242992
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 20)  npairs=  15
              1 vec=     2.802674     -1.376461     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00018827890261
                2s
                   +0 :              -0.00175828487253
                3s
                   +0 :               0.00024669238630
                2p
                   -1 :              -0.00067861493796
                   +0 :              -0.00124979669847
                   +1 :              -0.00056561207993
                3p
                   -1 :               0.00081921705477
                   +0 :               0.00038844348517
                   +1 :               0.00014201577353
                3d
                   -2 :              -0.00004991106207
                   -1 :               0.00010918666399
                   +0 :               0.00001363769432
                   +1 :              -0.00000468116889
                   +2 :               0.00010674264180
              2 vec=    -4.977489      3.115418     10.693237   |vec|=   12.199448
                1s
                   +0 :               0.00027687236314
                2s
                   +0 :              -0.00353035718534
                3s
                   +0 :               0.00039665460165
                2p
                   -1 :              -0.00107654902784
                   +0 :              -0.00175808740458
                   +1 :               0.00173736658547
                3p
                   -1 :               0.00022298549342
                   +0 :               0.00013662840934
                   +1 :              -0.00061215112100
                3d
                   -2 :               0.00005677129451
                   -1 :              -0.00006861576838
                   +0 :              -0.00012357612480
                   +1 :               0.00008116930434
                   +2 :              -0.00003809826548
              3 vec=    -4.977489     -5.868340     10.693237   |vec|=   13.174146
                1s
                   +0 :              -0.00001752404698
                2s
                   +0 :               0.00040900267538
                3s
                   +0 :               0.00011418162237
                2p
                   -1 :               0.00025675917130
                   +0 :               0.00035618448335
                   +1 :               0.00057061417050
                3p
                   -1 :              -0.00031211908387
                   +0 :               0.00008838359843
                   +1 :              -0.00026046572848
                3d
                   -2 :               0.00000964437234
                   -1 :              -0.00004720843788
                   +0 :               0.00002990269107
                   +1 :              -0.00001517727035
                   +2 :              -0.00002795858707
              4 vec=     2.802674      7.607297     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00009755024199
                2s
                   +0 :               0.00100496021507
                3s
                   +0 :              -0.00012677479593
                2p
                   -1 :               0.00031148935121
                   +0 :               0.00089503390491
                   +1 :              -0.00009124289321
                3p
                   -1 :              -0.00033523202914
                   +0 :              -0.00034300662086
                   +1 :               0.00008547670928
                3d
                   -2 :               0.00001926338272
                   -1 :              -0.00000436497454
                   +0 :              -0.00000536513299
                   +1 :              -0.00000168798683
                   +2 :               0.00000114537862
              5 vec=     2.802674     -1.376461    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00021280506152
                2s
                   +0 :              -0.00167498839460
                3s
                   +0 :               0.00075058075646
                2p
                   -1 :               0.00027247843142
                   +0 :               0.00130165802362
                   +1 :              -0.00007011630767
                3p
                   -1 :              -0.00011865773810
                   +0 :              -0.00096805594475
                   +1 :              -0.00010469258583
                3d
                   -2 :              -0.00000685174648
                   -1 :               0.00002119130658
                   +0 :               0.00007128747807
                   +1 :               0.00000175058788
                   +2 :               0.00001960159865
              6 vec=    -4.977489      3.115418    -13.854306   |vec|=   15.047359
                1s
                   +0 :               0.00005916205155
                2s
                   +0 :              -0.00063945606015
                3s
                   +0 :               0.00005475651712
                2p
                   -1 :              -0.00035802567050
                   +0 :               0.00015454777469
                   +1 :              -0.00039603052773
                3p
                   -1 :               0.00022521679553
                   +0 :               0.00010285589132
                   +1 :               0.00033094569031
                3d
                   -2 :              -0.00000031564114
                   -1 :              -0.00000423940349
                   +0 :              -0.00003764096735
                   +1 :              -0.00002748329681
                   +2 :               0.00000385769506
              7 vec=     2.802674    -10.360219     10.693237   |vec|=   15.150394
                1s
                   +0 :              -0.00000817181662
                2s
                   +0 :               0.00015651812106
                3s
                   +0 :               0.00000482537075
                2p
                   -1 :              -0.00012729261331
                   +0 :               0.00029926778572
                   +1 :              -0.00026883282295
                3p
                   -1 :               0.00002840060453
                   +0 :              -0.00003889937308
                   +1 :               0.00001865370584
                3d
                   -2 :               0.00002715397871
                   -1 :              -0.00002696558625
                   +0 :               0.00000437108011
                   +1 :               0.00000332014638
                   +2 :              -0.00002094645809
              8 vec=    10.582837      3.115418     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00002331292824
                2s
                   +0 :               0.00010675601360
                3s
                   +0 :              -0.00009389582639
                2p
                   -1 :               0.00040585973313
                   +0 :               0.00024794535890
                   +1 :               0.00004591726796
                3p
                   -1 :              -0.00022269431149
                   +0 :              -0.00010957358760
                   +1 :              -0.00019808913223
                3d
                   -2 :              -0.00000074539704
                   -1 :              -0.00000399119412
                   +0 :               0.00000765969762
                   +1 :              -0.00000056738989
                   +2 :              -0.00002836968067
              9 vec=    -4.977489     -5.868340    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00012483084574
                2s
                   +0 :              -0.00088579662345
                3s
                   +0 :               0.00030638675774
                2p
                   -1 :               0.00044831491892
                   +0 :               0.00073514413687
                   +1 :              -0.00019639489125
                3p
                   -1 :              -0.00051795844202
                   +0 :              -0.00054943680764
                   +1 :               0.00034231580390
                3d
                   -2 :               0.00003732608609
                   -1 :               0.00007774054750
                   +0 :               0.00002539048596
                   +1 :              -0.00005659671202
                   +2 :              -0.00003000720069
             10 vec=     2.802674      7.607297    -13.854306   |vec|=   16.052032
                1s
                   +0 :               0.00005662113995
                2s
                   +0 :              -0.00059677094254
                3s
                   +0 :               0.00006571951733
                2p
                   -1 :              -0.00046932980442
                   +0 :               0.00043726826053
                   +1 :               0.00018277858545
                3p
                   -1 :               0.00024241927258
                   +0 :              -0.00007639466432
                   +1 :               0.00012154235272
                3d
                   -2 :               0.00003498494871
                   -1 :               0.00002417510946
                   +0 :              -0.00001456766613
                   +1 :              -0.00005730665761
                   +2 :              -0.00000274749319
             11 vec=    10.582837     -5.868340     10.693237   |vec|=   16.148658
                1s
                   +0 :              -0.00002822274246
                2s
                   +0 :               0.00032427004363
                3s
                   +0 :              -0.00003238697101
                2p
                   -1 :               0.00008985457387
                   +0 :               0.00031014295917
                   +1 :               0.00011284957250
                3p
                   -1 :              -0.00011983754972
                   +0 :              -0.00010179389006
                   +1 :              -0.00006583773220
                3d
                   -2 :               0.00000025805779
                   -1 :              -0.00002519920317
                   +0 :               0.00000193700130
                   +1 :              -0.00000228218616
                   +2 :              -0.00000618480970
             12 vec=   -12.757651     -1.376461     10.693237   |vec|=   16.703222
                1s
                   +0 :              -0.00003255013773
                2s
                   +0 :               0.00033139010305
                3s
                   +0 :              -0.00008998060269
                2p
                   -1 :               0.00014501087081
                   +0 :               0.00029375522103
                   +1 :              -0.00009213357196
                3p
                   -1 :              -0.00007407193749
                   +0 :              -0.00018043660351
                   +1 :               0.00001651624294
                3d
                   -2 :              -0.00000003795954
                   -1 :              -0.00000174064001
                   +0 :              -0.00000486855176
                   +1 :               0.00000207545750
                   +2 :               0.00000695674528
             13 vec=    -4.977489     12.099176     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00001090916674
                2s
                   +0 :               0.00020374512939
                3s
                   +0 :              -0.00000692255290
                2p
                   -1 :               0.00012717126368
                   +0 :               0.00018297630031
                   +1 :              -0.00001319453724
                3p
                   -1 :              -0.00002110032023
                   +0 :              -0.00007167266533
                   +1 :              -0.00009085852637
                3d
                   -2 :              -0.00000862083220
                   -1 :              -0.00000448035116
                   +0 :              -0.00000164404438
                   +1 :              -0.00000486789677
                   +2 :               0.00000509234673
             14 vec=     2.802674    -10.360219    -13.854306   |vec|=   17.525151
                1s
                   +0 :               0.00000641043853
                2s
                   +0 :              -0.00036862057829
                3s
                   +0 :              -0.00009828336258
                2p
                   -1 :               0.00019263039691
                   +0 :               0.00025498899342
                   +1 :               0.00009585026086
                3p
                   -1 :               0.00007309356741
                   +0 :               0.00010276416795
                   +1 :              -0.00003912709038
                3d
                   -2 :              -0.00000624547229
                   -1 :              -0.00002575385193
                   +0 :              -0.00002363906123
                   +1 :              -0.00001425246522
                   +2 :               0.00001547484654
             15 vec=    10.582837      3.115418    -13.854306   |vec|=   17.709998
                1s
                   +0 :               0.00003461316156
                2s
                   +0 :              -0.00034428742733
                3s
                   +0 :               0.00005856472305
                2p
                   -1 :              -0.00021677452405
                   +0 :               0.00018259664184
                   +1 :              -0.00012408330097
                3p
                   -1 :               0.00010236719729
                   +0 :              -0.00006226995918
                   +1 :               0.00001019723725
                3d
                   -2 :              -0.00000465198573
                   -1 :               0.00001593738603
                   +0 :               0.00000034611769
                   +1 :              -0.00000316482734
                   +2 :               0.00000770738419
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 21)  npairs=  15
              1 vec=    -2.593388     -1.738956     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00018827890261
                2s
                   +0 :              -0.00175828487253
                3s
                   +0 :               0.00024669238630
                2p
                   -1 :               0.00082914189889
                   +0 :              -0.00124979669847
                   +1 :              -0.00030489173570
                3p
                   -1 :              -0.00053259779500
                   +0 :               0.00038844348517
                   +1 :               0.00063845489388
                3d
                   -2 :               0.00011739737050
                   -1 :              -0.00005053932082
                   +0 :               0.00001363769432
                   +1 :               0.00009689900922
                   +2 :              -0.00001014707321
              2 vec=     5.186775      2.752923     10.693237   |vec|=   12.199448
                1s
                   +0 :               0.00027687236314
                2s
                   +0 :              -0.00353035718534
                3s
                   +0 :               0.00039665460165
                2p
                   -1 :              -0.00096632908478
                   +0 :              -0.00175808740458
                   +1 :              -0.00180100209926
                3p
                   -1 :               0.00041864567503
                   +0 :               0.00013662840934
                   +1 :               0.00049918666248
                3d
                   -2 :              -0.00006137971300
                   -1 :              -0.00003598679537
                   +0 :              -0.00012357612480
                   +1 :              -0.00010000765069
                   +2 :              -0.00003011625052
              3 vec=    -2.593388      7.244802     10.693237   |vec|=   13.174146
                1s
                   +0 :              -0.00001752404698
                2s
                   +0 :               0.00040900267538
                3s
                   +0 :               0.00011418162237
                2p
                   -1 :              -0.00062254595306
                   +0 :               0.00035618448335
                   +1 :              -0.00006294712025
                3p
                   -1 :               0.00038162947961
                   +0 :               0.00008838359843
                   +1 :              -0.00014007019140
                3d
                   -2 :              -0.00002903503282
                   -1 :               0.00003674812063
                   +0 :               0.00002990269107
                   +1 :              -0.00003329507130
                   +2 :               0.00000562702208
              4 vec=     5.186775     -6.230835     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00009755024199
                2s
                   +0 :               0.00100496021507
                3s
                   +0 :              -0.00012677479593
                2p
                   -1 :              -0.00007672601217
                   +0 :               0.00089503390491
                   +1 :               0.00031537913776
                3p
                   -1 :               0.00009359101290
                   +0 :              -0.00034300662086
                   +1 :              -0.00033305780804
                3d
                   -2 :              -0.00000863976438
                   -1 :               0.00000364432674
                   +0 :              -0.00000536513299
                   +1 :              -0.00000293618542
                   +2 :              -0.00001725526811
              5 vec=    -2.593388     -1.738956    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00021280506152
                2s
                   +0 :              -0.00167498839460
                3s
                   +0 :               0.00075058075646
                2p
                   -1 :              -0.00007551671205
                   +0 :               0.00130165802362
                   +1 :               0.00027103139743
                3p
                   -1 :               0.00014999530797
                   +0 :              -0.00096805594475
                   +1 :              -0.00005041432264
                3d
                   -2 :               0.00002040135562
                   -1 :              -0.00001211170687
                   +0 :               0.00007128747807
                   +1 :               0.00001747691590
                   +2 :              -0.00000386701281
              6 vec=     5.186775      2.752923    -13.854306   |vec|=   15.047359
                1s
                   +0 :               0.00005916205155
                2s
                   +0 :              -0.00063945606015
                3s
                   +0 :               0.00005475651712
                2p
                   -1 :               0.00052198533294
                   +0 :               0.00015454777469
                   +1 :              -0.00011204406200
                3p
                   -1 :              -0.00039921577285
                   +0 :               0.00010285589132
                   +1 :               0.00002957062113
                3d
                   -2 :               0.00000349868249
                   -1 :               0.00002592093496
                   +0 :              -0.00003764096735
                   +1 :               0.00001007021729
                   +2 :              -0.00000165549428
              7 vec=   -10.373550      2.752923     10.693237   |vec|=   15.150394
                1s
                   +0 :              -0.00000817181662
                2s
                   +0 :               0.00015651812106
                3s
                   +0 :               0.00000482537075
                2p
                   -1 :               0.00029646236070
                   +0 :               0.00029926778572
                   +1 :               0.00002417777463
                3p
                   -1 :              -0.00003035488540
                   +0 :              -0.00003889937308
                   +1 :               0.00001526879208
                3d
                   -2 :              -0.00003171715418
                   -1 :               0.00001060746201
                   +0 :               0.00000437108011
                   +1 :              -0.00002501295591
                   +2 :              -0.00001304280633
              8 vec=    -2.593388    -10.722714     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00002331292824
                2s
                   +0 :               0.00010675601360
                3s
                   +0 :              -0.00009389582639
                2p
                   -1 :              -0.00024269538709
                   +0 :               0.00024794535890
                   +1 :               0.00032852620528
                3p
                   -1 :               0.00028289737647
                   +0 :              -0.00010957358760
                   +1 :              -0.00009381436491
                3d
                   -2 :              -0.00002419616563
                   -1 :               0.00000248697112
                   +0 :               0.00000765969762
                   +1 :              -0.00000317278056
                   +2 :               0.00001483037311
              9 vec=    -2.593388      7.244802    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00012483084574
                2s
                   +0 :              -0.00088579662345
                3s
                   +0 :               0.00030638675774
                2p
                   -1 :              -0.00005407449446
                   +0 :               0.00073514413687
                   +1 :               0.00048644955430
                3p
                   -1 :              -0.00003747496128
                   +0 :              -0.00054943680764
                   +1 :              -0.00061972307084
                3d
                   -2 :              -0.00004465004114
                   -1 :               0.00001014391663
                   +0 :               0.00002539048596
                   +1 :               0.00009562364505
                   +2 :              -0.00001732173843
             10 vec=     5.186775     -6.230835    -13.854306   |vec|=   16.052032
                1s
                   +0 :               0.00005662113995
                2s
                   +0 :              -0.00059677094254
                3s
                   +0 :               0.00006571951733
                2p
                   -1 :               0.00007637400394
                   +0 :               0.00043726826053
                   +1 :              -0.00049784082611
                3p
                   -1 :              -0.00022646840138
                   +0 :              -0.00007639466432
                   +1 :               0.00014917007207
                3d
                   -2 :              -0.00001987187325
                   -1 :               0.00003754146656
                   +0 :              -0.00001456766613
                   +1 :               0.00004958958774
                   +2 :              -0.00002892410774
             11 vec=   -10.373550     -6.230835     10.693237   |vec|=   16.148658
                1s
                   +0 :              -0.00002822274246
                2s
                   +0 :               0.00032427004363
                3s
                   +0 :              -0.00003238697101
                2p
                   -1 :              -0.00014265788353
                   +0 :               0.00031014295917
                   +1 :               0.00002139155737
                3p
                   -1 :               0.00011693592348
                   +0 :              -0.00010179389006
                   +1 :              -0.00007086349628
                3d
                   -2 :              -0.00000548523121
                   -1 :               0.00001457603278
                   +0 :               0.00000193700130
                   +1 :              -0.00002068205702
                   +2 :               0.00000286892025
             12 vec=     5.186775     11.736681     10.693237   |vec|=   16.703222
                1s
                   +0 :              -0.00003255013773
                2s
                   +0 :               0.00033139010305
                3s
                   +0 :              -0.00008998060269
                2p
                   -1 :               0.00000728457846
                   +0 :               0.00029375522103
                   +1 :               0.00017164988392
                3p
                   -1 :               0.00002273248278
                   +0 :              -0.00018043660351
                   +1 :              -0.00007240630105
                3d
                   -2 :               0.00000604369791
                   -1 :              -0.00000092707891
                   +0 :              -0.00000486855176
                   +1 :              -0.00000254516722
                   +2 :              -0.00000344549871
             13 vec=    12.966938     -1.738956     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00001090916674
                2s
                   +0 :               0.00020374512939
                3s
                   +0 :              -0.00000692255290
                2p
                   -1 :              -0.00005215882740
                   +0 :               0.00018297630031
                   +1 :               0.00011673081360
                3p
                   -1 :               0.00008923595210
                   +0 :              -0.00007167266533
                   +1 :               0.00002715584984
                3d
                   -2 :               0.00000872051774
                   -1 :               0.00000645589784
                   +0 :              -0.00000164404438
                   +1 :              -0.00000144614954
                   +2 :               0.00000491968632
             14 vec=   -10.373550      2.752923    -13.854306   |vec|=   17.525151
                1s
                   +0 :               0.00000641043853
                2s
                   +0 :              -0.00036862057829
                3s
                   +0 :              -0.00009828336258
                2p
                   -1 :              -0.00017932395932
                   +0 :               0.00025498899342
                   +1 :               0.00011889768684
                3p
                   -1 :              -0.00000266172946
                   +0 :               0.00010276416795
                   +1 :               0.00008286443142
                3d
                   -2 :               0.00001652434637
                   -1 :               0.00002521992291
                   +0 :              -0.00002363906123
                   +1 :              -0.00001517725740
                   +2 :              -0.00000232868561
             15 vec=    -2.593388    -10.722714    -13.854306   |vec|=   17.709998
                1s
                   +0 :               0.00003461316156
                2s
                   +0 :              -0.00034428742733
                3s
                   +0 :               0.00005856472305
                2p
                   -1 :               0.00021584655285
                   +0 :               0.00018259664184
                   +1 :              -0.00012569059423
                3p
                   -1 :              -0.00006001466515
                   +0 :              -0.00006226995918
                   +1 :               0.00008355397474
                3d
                   -2 :               0.00000900078337
                   -1 :              -0.00000522787214
                   +0 :               0.00000034611769
                   +1 :               0.00001538459484
                   +2 :               0.00000017504573
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 22)  npairs=  14
              1 vec=     2.803193      1.376162     -1.580534   |vec|=    3.499971
                1s
                   +0 :               0.00405218282363
                2s
                   +0 :              -0.04658385324966
                3s
                   +0 :               0.01153701870945
                2p
                   -1 :               0.00341947889808
                   +0 :               0.01386013316675
                   +1 :               0.00863228088155
                3p
                   -1 :               0.00335653455758
                   +0 :               0.00619081361614
                   +1 :               0.00687439015213
                3d
                   -2 :               0.00297251099531
                   -1 :               0.00441849889541
                   +0 :              -0.00475250427363
                   +1 :               0.00903922688969
                   +2 :               0.00272226706541
              2 vec=    -4.976970     -3.115717     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00022877476493
                2s
                   +0 :              -0.00057036289464
                3s
                   +0 :              -0.00193884333446
                2p
                   -1 :               0.00416359683960
                   +0 :              -0.00280924240943
                   +1 :              -0.00117388926768
                3p
                   -1 :              -0.00029533672836
                   +0 :              -0.00109766930657
                   +1 :               0.00565513973364
                3d
                   -2 :              -0.00068036630313
                   -1 :              -0.00050402372321
                   +0 :               0.00069918291466
                   +1 :              -0.00020495487950
                   +2 :               0.00003907601797
              3 vec=    -4.976970      5.868041     -1.580534   |vec|=    7.855076
                1s
                   +0 :              -0.00132381901914
                2s
                   +0 :               0.01220674351092
                3s
                   +0 :              -0.00311930985254
                2p
                   -1 :               0.00238129713899
                   +0 :              -0.00849136313393
                   +1 :              -0.00535138754085
                3p
                   -1 :               0.00027314415380
                   +0 :               0.00281427424829
                   +1 :               0.00337571993957
                3d
                   -2 :              -0.00022621413594
                   -1 :              -0.00004195050833
                   +0 :              -0.00036774670621
                   +1 :               0.00004669312909
                   +2 :              -0.00055463994702
              4 vec=     2.803193     -7.607596     -1.580534   |vec|=    8.260236
                1s
                   +0 :              -0.00060840482914
                2s
                   +0 :               0.00517759779203
                3s
                   +0 :              -0.00133959093885
                2p
                   -1 :              -0.00049534016235
                   +0 :               0.00243959117608
                   +1 :              -0.00021118273130
                3p
                   -1 :              -0.00057132060818
                   +0 :              -0.00389569753582
                   +1 :               0.00088750964374
                3d
                   -2 :              -0.00002106349261
                   -1 :               0.00029933227273
                   +0 :              -0.00012298215769
                   +1 :              -0.00002764723600
                   +2 :              -0.00009671344635
              5 vec=     2.803193     10.359920     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00006801949191
                2s
                   +0 :               0.00095598277376
                3s
                   +0 :              -0.00012320806973
                2p
                   -1 :              -0.00011407786041
                   +0 :              -0.00008648241220
                   +1 :              -0.00099667771560
                3p
                   -1 :               0.00017609137929
                   +0 :              -0.00047348990293
                   +1 :               0.00037500368995
                3d
                   -2 :               0.00000716669420
                   -1 :              -0.00003891507710
                   +0 :               0.00011642265191
                   +1 :               0.00003417423221
                   +2 :              -0.00006093029790
              6 vec=    10.583355     -3.115717     -1.580534   |vec|=   11.145097
                1s
                   +0 :              -0.00013779484038
                2s
                   +0 :               0.00116573575444
                3s
                   +0 :              -0.00025102768837
                2p
                   -1 :              -0.00057547132176
                   +0 :              -0.00025670235135
                   +1 :              -0.00093303161277
                3p
                   -1 :              -0.00008668305199
                   +0 :              -0.00015769305715
                   +1 :               0.00074998204096
                3d
                   -2 :              -0.00001682279980
                   -1 :               0.00001283767455
                   +0 :               0.00005814124897
                   +1 :               0.00004783590102
                   +2 :              -0.00001807507925
              7 vec=    10.583355      5.868041     -1.580534   |vec|=   12.204073
                1s
                   +0 :               0.00001564706999
                2s
                   +0 :              -0.00003095850522
                3s
                   +0 :               0.00008687079263
                2p
                   -1 :               0.00046858389106
                   +0 :               0.00021996811861
                   +1 :              -0.00061793340755
                3p
                   -1 :              -0.00020115436085
                   +0 :               0.00009704826816
                   +1 :               0.00067151719302
                3d
                   -2 :               0.00000976107339
                   -1 :               0.00003467473095
                   +0 :              -0.00008935245210
                   +1 :               0.00008800654920
                   +2 :              -0.00002588092482
              8 vec=   -12.757133      1.376162     -1.580534   |vec|=   12.928122
                1s
                   +0 :              -0.00013012152526
                2s
                   +0 :               0.00105736400466
                3s
                   +0 :              -0.00041410841370
                2p
                   -1 :               0.00069196737762
                   +0 :               0.00014748887252
                   +1 :              -0.00140048679663
                3p
                   -1 :              -0.00058744090533
                   +0 :              -0.00036039108468
                   +1 :               0.00078508931273
                3d
                   -2 :               0.00006325487519
                   -1 :               0.00002253795131
                   +0 :              -0.00002379697373
                   +1 :               0.00008023378208
                   +2 :              -0.00002295769522
              9 vec=    -4.976970    -12.099475     -1.580534   |vec|=   13.178225
                1s
                   +0 :              -0.00012427022210
                2s
                   +0 :               0.00120024002824
                3s
                   +0 :              -0.00026050302759
                2p
                   -1 :              -0.00109830048828
                   +0 :              -0.00006170285426
                   +1 :              -0.00043408972241
                3p
                   -1 :               0.00021680660331
                   +0 :              -0.00010425084738
                   +1 :               0.00007555988601
                3d
                   -2 :               0.00005369242932
                   -1 :              -0.00001891411357
                   +0 :              -0.00000364029498
                   +1 :               0.00001310141052
                   +2 :              -0.00002462366120
             10 vec=   -12.757133     -7.607596     -1.580534   |vec|=   14.937136
                1s
                   +0 :              -0.00001368902139
                2s
                   +0 :               0.00021208533483
                3s
                   +0 :               0.00000929578590
                2p
                   -1 :               0.00010972839586
                   +0 :              -0.00006127186065
                   +1 :              -0.00046250482766
                3p
                   -1 :              -0.00016802977545
                   +0 :              -0.00006241769195
                   +1 :               0.00025419515818
                3d
                   -2 :               0.00001500725940
                   -1 :              -0.00000359640672
                   +0 :               0.00000795141297
                   +1 :               0.00001078362665
                   +2 :              -0.00000235835038
             11 vec=    -4.976970     14.851799     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00002599189566
                2s
                   +0 :               0.00019090707454
                3s
                   +0 :              -0.00007971519360
                2p
                   -1 :               0.00022787257291
                   +0 :              -0.00006882607227
                   +1 :              -0.00012562512747
                3p
                   -1 :              -0.00022178879257
                   +0 :              -0.00003394328830
                   +1 :               0.00014743287625
                3d
                   -2 :               0.00002962167585
                   -1 :              -0.00000812434823
                   +0 :               0.00000475662714
                   +1 :              -0.00000061793054
                   +2 :               0.00000933588536
             12 vec=    10.583355    -12.099475     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00000466427647
                2s
                   +0 :               0.00006493939304
                3s
                   +0 :              -0.00000509466712
                2p
                   -1 :               0.00002877031464
                   +0 :              -0.00007839233204
                   +1 :               0.00015302409030
                3p
                   -1 :              -0.00000735368838
                   +0 :              -0.00000442515426
                   +1 :              -0.00014583479152
                3d
                   -2 :               0.00002353795547
                   -1 :               0.00000356474495
                   +0 :               0.00000889442645
                   +1 :              -0.00000469993851
                   +2 :              -0.00001347602532
             13 vec=   -12.757133     10.359920     -1.580534   |vec|=   16.509708
                1s
                   +0 :              -0.00003604125218
                2s
                   +0 :               0.00029176868451
                3s
                   +0 :              -0.00007772443966
                2p
                   -1 :              -0.00000658104905
                   +0 :              -0.00021295878063
                   +1 :              -0.00029872163852
                3p
                   -1 :              -0.00002261416052
                   +0 :               0.00008569656114
                   +1 :               0.00016276378736
                3d
                   -2 :               0.00001132910989
                   -1 :               0.00000570337347
                   +0 :               0.00000220533008
                   +1 :              -0.00000557077874
                   +2 :              -0.00000664757968
             14 vec=     2.803193    -16.591354     -1.580534   |vec|=   16.900562
                1s
                   +0 :              -0.00003182946116
                2s
                   +0 :               0.00023568105147
                3s
                   +0 :              -0.00005639214164
                2p
                   -1 :              -0.00018863912523
                   +0 :               0.00006599827585
                   +1 :              -0.00000589191656
                3p
                   -1 :               0.00010970627518
                   +0 :              -0.00012447977183
                   +1 :               0.00001562450756
                3d
                   -2 :               0.00001267340835
                   -1 :               0.00000352797694
                   +0 :              -0.00000222537326
                   +1 :              -0.00000381227466
                   +2 :              -0.00000528556364
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805     -3.115717     -1.580534   |vec|=    3.499971
                1s
                   +0 :               0.00405218282363
                2s
                   +0 :              -0.04658385324966
                3s
                   +0 :               0.01153701870945
                2p
                   -1 :              -0.00918551398506
                   +0 :               0.01386013316675
                   +1 :              -0.00135478484734
                3p
                   -1 :              -0.00763166378606
                   +0 :               0.00619081361614
                   +1 :              -0.00053035088052
                3d
                   -2 :               0.00087129693688
                   -1 :              -0.01003744956475
                   +0 :              -0.00475250427363
                   +1 :              -0.00069308115482
                   +2 :              -0.00393540356767
              2 vec=    -0.209805      5.868041     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00022877476493
                2s
                   +0 :              -0.00057036289464
                3s
                   +0 :              -0.00193884333446
                2p
                   -1 :              -0.00106518049276
                   +0 :              -0.00280924240943
                   +1 :               0.00419272526805
                3p
                   -1 :              -0.00474982630711
                   +0 :              -0.00109766930657
                   +1 :              -0.00308333897625
                3d
                   -2 :               0.00037402397581
                   -1 :               0.00042950799388
                   +0 :               0.00069918291466
                   +1 :              -0.00033401990866
                   +2 :               0.00056967649340
              3 vec=     7.570358      1.376162     -1.580534   |vec|=    7.855076
                1s
                   +0 :              -0.00132381901914
                2s
                   +0 :               0.01220674351092
                3s
                   +0 :              -0.00311930985254
                2p
                   -1 :               0.00344378898638
                   +0 :              -0.00849136313393
                   +1 :               0.00473795758675
                3p
                   -1 :              -0.00306003130063
                   +0 :               0.00281427424829
                   +1 :              -0.00145131019370
                3d
                   -2 :              -0.00036722521611
                   -1 :              -0.00001946218181
                   +0 :              -0.00036774670621
                   +1 :              -0.00005967677046
                   +2 :               0.00047322716193
              4 vec=    -7.989968      1.376162     -1.580534   |vec|=    8.260236
                1s
                   +0 :              -0.00060840482914
                2s
                   +0 :               0.00517759779203
                3s
                   +0 :              -0.00133959093885
                2p
                   -1 :               0.00043055969132
                   +0 :               0.00243959117608
                   +1 :              -0.00032338579846
                3p
                   -1 :              -0.00048294559350
                   +0 :              -0.00389569753582
                   +1 :              -0.00093853298226
                3d
                   -2 :              -0.00007322455512
                   -1 :              -0.00012572292765
                   +0 :              -0.00012298215769
                   +1 :               0.00027305297036
                   +2 :               0.00006659824286
              5 vec=     7.570358     -7.607596     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00006801949191
                2s
                   +0 :               0.00095598277376
                3s
                   +0 :              -0.00012320806973
                2p
                   -1 :               0.00092018715131
                   +0 :              -0.00008648241220
                   +1 :               0.00039954453267
                3p
                   -1 :              -0.00041280841165
                   +0 :              -0.00047348990293
                   +1 :              -0.00003500223712
                3d
                   -2 :              -0.00005635053294
                   -1 :              -0.00001013821470
                   +0 :               0.00011642265191
                   +1 :              -0.00005078856146
                   +2 :               0.00002425860971
              6 vec=    -7.989968     -7.607596     -1.580534   |vec|=   11.145097
                1s
                   +0 :              -0.00013779484038
                2s
                   +0 :               0.00116573575444
                3s
                   +0 :              -0.00025102768837
                2p
                   -1 :               0.00109576474008
                   +0 :              -0.00025670235135
                   +1 :              -0.00003185697741
                3p
                   -1 :              -0.00060616197386
                   +0 :              -0.00015769305715
                   +1 :              -0.00045006074558
                3d
                   -2 :              -0.00000724207791
                   -1 :              -0.00004784594277
                   +0 :               0.00005814124897
                   +1 :              -0.00001280019823
                   +2 :               0.00002360651161
              7 vec=    -0.209805    -12.099475     -1.580534   |vec|=   12.204073
                1s
                   +0 :               0.00001564706999
                2s
                   +0 :              -0.00003095850522
                3s
                   +0 :               0.00008687079263
                2p
                   -1 :               0.00030085408326
                   +0 :               0.00021996811861
                   +1 :               0.00071477225724
                3p
                   -1 :              -0.00048097376781
                   +0 :               0.00009704826816
                   +1 :              -0.00050996338309
                3d
                   -2 :              -0.00002729407506
                   -1 :              -0.00009355327278
                   +0 :              -0.00008935245210
                   +1 :              -0.00001397407673
                   +2 :               0.00000448712489
              8 vec=     7.570358     10.359920     -1.580534   |vec|=   12.928122
                1s
                   +0 :              -0.00013012152526
                2s
                   +0 :               0.00105736400466
                3s
                   +0 :              -0.00041410841370
                2p
                   -1 :               0.00086687345474
                   +0 :               0.00014748887252
                   +1 :               0.00129950472593
                3p
                   -1 :              -0.00038618683640
                   +0 :              -0.00036039108468
                   +1 :              -0.00090128340360
                3d
                   -2 :              -0.00005150938487
                   -1 :              -0.00008075346918
                   +0 :              -0.00002379697373
                   +1 :              -0.00002059845266
                   +2 :              -0.00004330148122
              9 vec=    -7.989968     10.359920     -1.580534   |vec|=   13.178225
                1s
                   +0 :              -0.00012427022210
                2s
                   +0 :               0.00120024002824
                3s
                   +0 :              -0.00026050302759
                2p
                   -1 :               0.00092508297127
                   +0 :              -0.00006170285426
                   +1 :              -0.00073411126263
                3p
                   -1 :              -0.00017384008245
                   +0 :              -0.00010425084738
                   +1 :               0.00014998008317
                3d
                   -2 :              -0.00004817093079
                   -1 :              -0.00000188909755
                   +0 :              -0.00000364029498
                   +1 :              -0.00002293080810
                   +2 :              -0.00003418717718
             10 vec=    -0.209805     14.851799     -1.580534   |vec|=   14.937136
                1s
                   +0 :              -0.00001368902139
                2s
                   +0 :               0.00021208533483
                3s
                   +0 :               0.00000929578590
                2p
                   -1 :               0.00034567673220
                   +0 :              -0.00006127186065
                   +1 :               0.00032627999216
                3p
                   -1 :              -0.00013612457677
                   +0 :              -0.00006241769195
                   +1 :              -0.00027261563322
                3d
                   -2 :              -0.00000954602104
                   -1 :              -0.00000754069127
                   +0 :               0.00000795141297
                   +1 :              -0.00000850639291
                   +2 :              -0.00001181749269
             11 vec=    15.350520     -3.115717     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00002599189566
                2s
                   +0 :               0.00019090707454
                3s
                   +0 :              -0.00007971519360
                2p
                   -1 :              -0.00000514173472
                   +0 :              -0.00006882607227
                   +1 :               0.00026015600070
                3p
                   -1 :              -0.00001678621990
                   +0 :              -0.00003394328830
                   +1 :              -0.00026579116677
                3d
                   -2 :              -0.00000672572404
                   -1 :               0.00000459731766
                   +0 :               0.00000475662714
                   +1 :              -0.00000672692669
                   +2 :              -0.00003032106647
             12 vec=   -15.770130     -3.115717     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00000466427647
                2s
                   +0 :               0.00006493939304
                3s
                   +0 :              -0.00000509466712
                2p
                   -1 :              -0.00014690790691
                   +0 :              -0.00007839233204
                   +1 :              -0.00005159622179
                3p
                   -1 :               0.00012997347840
                   +0 :              -0.00000442515426
                   +1 :               0.00006654891481
                3d
                   -2 :              -0.00002343955800
                   -1 :               0.00000228789367
                   +0 :               0.00000889442645
                   +1 :               0.00000543712893
                   +2 :              -0.00001364645473
             13 vec=    15.350520      5.868041     -1.580534   |vec|=   16.509708
                1s
                   +0 :              -0.00003604125218
                2s
                   +0 :               0.00029176868451
                3s
                   +0 :              -0.00007772443966
                2p
                   -1 :               0.00026199105215
                   +0 :              -0.00021295878063
                   +1 :               0.00014366146360
                3p
                   -1 :              -0.00012965049441
                   +0 :               0.00008569656114
                   +1 :              -0.00010096633117
                3d
                   -2 :              -0.00001142152782
                   -1 :               0.00000197274917
                   +0 :               0.00000220533008
                   +1 :               0.00000772465568
                   +2 :              -0.00000648750712
             14 vec=   -15.770130      5.868041     -1.580534   |vec|=   16.900562
                1s
                   +0 :              -0.00003182946116
                2s
                   +0 :               0.00023568105147
                3s
                   +0 :              -0.00005639214164
                2p
                   -1 :               0.00009942211203
                   +0 :               0.00006599827585
                   +1 :              -0.00016042031632
                3p
                   -1 :              -0.00006838435806
                   +0 :              -0.00012447977183
                   +1 :               0.00008719616748
                3d
                   -2 :              -0.00001091413656
                   -1 :               0.00000153753823
                   +0 :              -0.00000222537326
                   +1 :               0.00000496145499
                   +2 :              -0.00000833271176
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 24)  npairs=  14
              1 vec=    -2.593388      1.739555     -1.580534   |vec|=    3.499971
                1s
                   +0 :               0.00405218282363
                2s
                   +0 :              -0.04658385324966
                3s
                   +0 :               0.01153701870945
                2p
                   -1 :               0.00576603508699
                   +0 :               0.01386013316675
                   +1 :              -0.00727749603421
                3p
                   -1 :               0.00427512922848
                   +0 :               0.00619081361614
                   +1 :              -0.00634403927161
                3d
                   -2 :              -0.00384380793219
                   -1 :               0.00561895066934
                   +0 :              -0.00475250427363
                   +1 :              -0.00834614573487
                   +2 :               0.00121313650226
              2 vec=     5.186775     -2.752324     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00022877476493
                2s
                   +0 :              -0.00057036289464
                3s
                   +0 :              -0.00193884333446
                2p
                   -1 :              -0.00309841634684
                   +0 :              -0.00280924240943
                   +1 :              -0.00301883600037
                3p
                   -1 :               0.00504516303546
                   +0 :              -0.00109766930657
                   +1 :              -0.00257180075739
                3d
                   -2 :               0.00030634232732
                   -1 :               0.00007451572933
                   +0 :               0.00069918291466
                   +1 :               0.00053897478816
                   +2 :              -0.00060875251137
              3 vec=    -2.593388     -7.244203     -1.580534   |vec|=    7.855076
                1s
                   +0 :              -0.00132381901914
                2s
                   +0 :               0.01220674351092
                3s
                   +0 :              -0.00311930985254
                2p
                   -1 :              -0.00582508612537
                   +0 :              -0.00849136313393
                   +1 :               0.00061342995410
                3p
                   -1 :               0.00278688714683
                   +0 :               0.00281427424829
                   +1 :              -0.00192440974587
                3d
                   -2 :               0.00059343935205
                   -1 :               0.00006141269014
                   +0 :              -0.00036774670621
                   +1 :               0.00001298364137
                   +2 :               0.00008141278509
              4 vec=     5.186775      6.231434     -1.580534   |vec|=    8.260236
                1s
                   +0 :              -0.00060840482914
                2s
                   +0 :               0.00517759779203
                3s
                   +0 :              -0.00133959093885
                2p
                   -1 :               0.00006478047103
                   +0 :               0.00243959117608
                   +1 :               0.00053456852976
                3p
                   -1 :               0.00105426620168
                   +0 :              -0.00389569753582
                   +1 :               0.00005102333852
                3d
                   -2 :               0.00009428804773
                   -1 :              -0.00017360934508
                   +0 :              -0.00012298215769
                   +1 :              -0.00024540573436
                   +2 :               0.00003011520348
              5 vec=   -10.373550     -2.752324     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00006801949191
                2s
                   +0 :               0.00095598277376
                3s
                   +0 :              -0.00012320806973
                2p
                   -1 :              -0.00080610929089
                   +0 :              -0.00008648241220
                   +1 :               0.00059713318293
                3p
                   -1 :               0.00023671703236
                   +0 :              -0.00047348990293
                   +1 :              -0.00034000145283
                3d
                   -2 :               0.00004918383874
                   -1 :               0.00004905329180
                   +0 :               0.00011642265191
                   +1 :               0.00001661432925
                   +2 :               0.00003667168819
              6 vec=    -2.593388     10.723313     -1.580534   |vec|=   11.145097
                1s
                   +0 :              -0.00013779484038
                2s
                   +0 :               0.00116573575444
                3s
                   +0 :              -0.00025102768837
                2p
                   -1 :              -0.00052029341831
                   +0 :              -0.00025670235135
                   +1 :               0.00096488859018
                3p
                   -1 :               0.00069284502585
                   +0 :              -0.00015769305715
                   +1 :              -0.00029992129538
                3d
                   -2 :               0.00002406487771
                   -1 :               0.00003500826822
                   +0 :               0.00005814124897
                   +1 :              -0.00003503570279
                   +2 :              -0.00000553143236
              7 vec=   -10.373550      6.231434     -1.580534   |vec|=   12.204073
                1s
                   +0 :               0.00001564706999
                2s
                   +0 :              -0.00003095850522
                3s
                   +0 :               0.00008687079263
                2p
                   -1 :              -0.00076943797432
                   +0 :               0.00021996811861
                   +1 :              -0.00009683884968
                3p
                   -1 :               0.00068212812866
                   +0 :               0.00009704826816
                   +1 :              -0.00016155380993
                3d
                   -2 :               0.00001753300168
                   -1 :               0.00005887854183
                   +0 :              -0.00008935245210
                   +1 :              -0.00007403247247
                   +2 :               0.00002139379993
              8 vec=     5.186775    -11.736082     -1.580534   |vec|=   12.928122
                1s
                   +0 :              -0.00013012152526
                2s
                   +0 :               0.00105736400466
                3s
                   +0 :              -0.00041410841370
                2p
                   -1 :              -0.00155884083236
                   +0 :               0.00014748887252
                   +1 :               0.00010098207071
                3p
                   -1 :               0.00097362774173
                   +0 :              -0.00036039108468
                   +1 :               0.00011619409087
                3d
                   -2 :              -0.00001174549033
                   -1 :               0.00005821551787
                   +0 :              -0.00002379697373
                   +1 :              -0.00005963532942
                   +2 :               0.00006625917644
              9 vec=    12.966938      1.739555     -1.580534   |vec|=   13.178225
                1s
                   +0 :              -0.00012427022210
                2s
                   +0 :               0.00120024002824
                3s
                   +0 :              -0.00026050302759
                2p
                   -1 :               0.00017321751701
                   +0 :              -0.00006170285426
                   +1 :               0.00116820098505
                3p
                   -1 :              -0.00004296652086
                   +0 :              -0.00010425084738
                   +1 :              -0.00022553996918
                3d
                   -2 :              -0.00000552149853
                   -1 :               0.00002080321112
                   +0 :              -0.00000364029498
                   +1 :               0.00000982939758
                   +2 :               0.00005881083838
             10 vec=    12.966938     -7.244203     -1.580534   |vec|=   14.937136
                1s
                   +0 :              -0.00001368902139
                2s
                   +0 :               0.00021208533483
                3s
                   +0 :               0.00000929578590
                2p
                   -1 :              -0.00045540512806
                   +0 :              -0.00006127186065
                   +1 :               0.00013622483550
                3p
                   -1 :               0.00030415435222
                   +0 :              -0.00006241769195
                   +1 :               0.00001842047505
                3d
                   -2 :              -0.00000546123836
                   -1 :               0.00001113709799
                   +0 :               0.00000795141297
                   +1 :              -0.00000227723374
                   +2 :               0.00001417584307
             11 vec=   -10.373550    -11.736082     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00002599189566
                2s
                   +0 :               0.00019090707454
                3s
                   +0 :              -0.00007971519360
                2p
                   -1 :              -0.00022273083820
                   +0 :              -0.00006882607227
                   +1 :              -0.00013453087323
                3p
                   -1 :               0.00023857501247
                   +0 :              -0.00003394328830
                   +1 :               0.00011835829052
                3d
                   -2 :              -0.00002289595181
                   -1 :               0.00000352703057
                   +0 :               0.00000475662714
                   +1 :               0.00000734485723
                   +2 :               0.00002098518111
             12 vec=     5.186775     15.215192     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00000466427647
                2s
                   +0 :               0.00006493939304
                3s
                   +0 :              -0.00000509466712
                2p
                   -1 :               0.00011813759227
                   +0 :              -0.00007839233204
                   +1 :              -0.00010142786850
                3p
                   -1 :              -0.00012261979002
                   +0 :              -0.00000442515426
                   +1 :               0.00007928587671
                3d
                   -2 :              -0.00000009839747
                   -1 :              -0.00000585263862
                   +0 :               0.00000889442645
                   +1 :              -0.00000073719043
                   +2 :               0.00002712248005
             13 vec=    -2.593388    -16.227961     -1.580534   |vec|=   16.509708
                1s
                   +0 :              -0.00003604125218
                2s
                   +0 :               0.00029176868451
                3s
                   +0 :              -0.00007772443966
                2p
                   -1 :              -0.00025541000310
                   +0 :              -0.00021295878063
                   +1 :               0.00015506017492
                3p
                   -1 :               0.00015226465493
                   +0 :               0.00008569656114
                   +1 :              -0.00006179745618
                3d
                   -2 :               0.00000009241793
                   -1 :              -0.00000767612264
                   +0 :               0.00000220533008
                   +1 :              -0.00000215387694
                   +2 :               0.00001313508681
             14 vec=    12.966938     10.723313     -1.580534   |vec|=   16.900562
                1s
                   +0 :              -0.00003182946116
                2s
                   +0 :               0.00023568105147
                3s
                   +0 :              -0.00005639214164
                2p
                   -1 :               0.00008921701320
                   +0 :               0.00006599827585
                   +1 :               0.00016631223288
                3p
                   -1 :              -0.00004132191712
                   +0 :              -0.00012447977183
                   +1 :              -0.00010282067504
                3d
                   -2 :              -0.00000175927179
                   -1 :              -0.00000506551518
                   +0 :              -0.00000222537326
                   +1 :              -0.00000114918033
                   +2 :               0.00001361827540
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 25)  npairs=  14
              1 vec=    -2.803193     -1.376162     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00103241223887
                2s
                   +0 :               0.00933082664823
                3s
                   +0 :              -0.00128324431036
                2p
                   -1 :              -0.01354169237326
                   +0 :               0.01145057012826
                   +1 :              -0.00167158512601
                3p
                   -1 :               0.00755786658657
                   +0 :              -0.01501469838668
                   +1 :              -0.00512487540127
                3d
                   -2 :               0.00065214467723
                   -1 :               0.00062936138427
                   +0 :               0.00138154460308
                   +1 :               0.00076416655152
                   +2 :               0.00032831650246
              2 vec=     4.976970      3.115717     -5.671791   |vec|=    8.163770
                1s
                   +0 :               0.00191328606564
                2s
                   +0 :              -0.01906845868015
                3s
                   +0 :               0.00314826848213
                2p
                   -1 :              -0.00909563384812
                   +0 :               0.00908342001355
                   +1 :              -0.00384673400359
                3p
                   -1 :               0.00341209596225
                   +0 :              -0.00193488807884
                   +1 :              -0.00125433090058
                3d
                   -2 :              -0.00025219851279
                   -1 :               0.00027869549049
                   +0 :              -0.00036678517264
                   +1 :               0.00032259294587
                   +2 :              -0.00027149681370
              3 vec=     4.976970     -5.868041     -5.671791   |vec|=    9.558941
                1s
                   +0 :              -0.00037900570131
                2s
                   +0 :               0.00258394531098
                3s
                   +0 :              -0.00109245900959
                2p
                   -1 :              -0.00294380232058
                   +0 :               0.00188413433689
                   +1 :               0.00161227027599
                3p
                   -1 :               0.00154120553334
                   +0 :              -0.00175194700290
                   +1 :              -0.00193872376879
                3d
                   -2 :               0.00007223484698
                   -1 :               0.00031750484451
                   +0 :              -0.00000205328850
                   +1 :              -0.00013030798980
                   +2 :              -0.00021315605934
              4 vec=    -2.803193      7.607596     -5.671791   |vec|=    9.894576
                1s
                   +0 :              -0.00009083207799
                2s
                   +0 :               0.00042946174756
                3s
                   +0 :              -0.00015080644150
                2p
                   -1 :              -0.00039155348655
                   +0 :              -0.00214513535061
                   +1 :               0.00005389489972
                3p
                   -1 :              -0.00052767262161
                   +0 :               0.00177617711827
                   +1 :              -0.00017877070884
                3d
                   -2 :              -0.00005348541431
                   -1 :               0.00005859457900
                   +0 :              -0.00010678296249
                   +1 :              -0.00008925346579
                   +2 :               0.00005242809623
              5 vec=    -2.803193    -10.359920     -5.671791   |vec|=   12.138989
                1s
                   +0 :               0.00007311525370
                2s
                   +0 :              -0.00038447064990
                3s
                   +0 :               0.00028338148234
                2p
                   -1 :               0.00051548560188
                   +0 :              -0.00202449586003
                   +1 :               0.00132112311270
                3p
                   -1 :              -0.00056283920614
                   +0 :               0.00063289392911
                   +1 :              -0.00024661884931
                3d
                   -2 :              -0.00007002230944
                   -1 :               0.00010060805688
                   +0 :               0.00006382002704
                   +1 :               0.00001679673604
                   +2 :              -0.00003968351394
              6 vec=   -10.583355      3.115717     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00008633784472
                2s
                   +0 :              -0.00018451885599
                3s
                   +0 :              -0.00038602089606
                2p
                   -1 :               0.00158485925067
                   +0 :              -0.00094895206209
                   +1 :               0.00077446315024
                3p
                   -1 :              -0.00101463313444
                   +0 :               0.00030354224246
                   +1 :               0.00026961041310
                3d
                   -2 :               0.00002368679290
                   -1 :               0.00005161677631
                   +0 :               0.00001180016100
                   +1 :               0.00002602247998
                   +2 :              -0.00013011215950
              7 vec=   -10.583355     -5.868041     -5.671791   |vec|=   13.364525
                1s
                   +0 :              -0.00003364707090
                2s
                   +0 :               0.00019067577546
                3s
                   +0 :              -0.00011219137325
                2p
                   -1 :              -0.00024439495524
                   +0 :              -0.00043351521309
                   +1 :               0.00001840665380
                3p
                   -1 :               0.00018858255379
                   +0 :               0.00016240457695
                   +1 :               0.00010652114169
                3d
                   -2 :               0.00002896520882
                   -1 :              -0.00001905941537
                   +0 :              -0.00000278960455
                   +1 :               0.00001198491950
                   +2 :               0.00001293003574
              8 vec=    12.757133     -1.376162     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00001328688767
                2s
                   +0 :              -0.00004892771061
                3s
                   +0 :              -0.00002486140628
                2p
                   -1 :               0.00002366347910
                   +0 :              -0.00054792668727
                   +1 :               0.00020431880094
                3p
                   -1 :              -0.00001395193960
                   +0 :               0.00034500680596
                   +1 :              -0.00018621551435
                3d
                   -2 :               0.00000174862309
                   -1 :               0.00000734990051
                   +0 :              -0.00000976452754
                   +1 :               0.00001659542150
                   +2 :              -0.00000667056710
              9 vec=     4.976970     12.099475     -5.671791   |vec|=   14.259619
                1s
                   +0 :               0.00002007102928
                2s
                   +0 :               0.00004178077156
                3s
                   +0 :               0.00001886729030
                2p
                   -1 :              -0.00030449548712
                   +0 :              -0.00017391890349
                   +1 :              -0.00010999614417
                3p
                   -1 :               0.00045858631962
                   +0 :               0.00009030283851
                   +1 :               0.00024891751798
                3d
                   -2 :               0.00006752988150
                   -1 :               0.00001646420154
                   +0 :              -0.00003156326804
                   +1 :               0.00000596385449
                   +2 :              -0.00001844782143
             10 vec=    12.757133      7.607596     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00003488455752
                2s
                   +0 :              -0.00025243099710
                3s
                   +0 :               0.00007273562978
                2p
                   -1 :               0.00005794394944
                   +0 :               0.00011694256010
                   +1 :              -0.00009367731264
                3p
                   -1 :               0.00003004729253
                   +0 :               0.00003497101625
                   +1 :               0.00000744140860
                3d
                   -2 :               0.00000109880912
                   -1 :               0.00000555819292
                   +0 :              -0.00000860005942
                   +1 :               0.00001346254090
                   +2 :               0.00000175130135
             11 vec=     4.976970    -14.851799     -5.671791   |vec|=   16.658793
                1s
                   +0 :               0.00006553904766
                2s
                   +0 :              -0.00056640450309
                3s
                   +0 :               0.00015234147469
                2p
                   -1 :               0.00043019563779
                   +0 :               0.00006095802452
                   +1 :              -0.00012310273901
                3p
                   -1 :              -0.00013675397890
                   +0 :              -0.00006720845072
                   +1 :              -0.00000668453136
                3d
                   -2 :               0.00000551251528
                   -1 :               0.00001501557095
                   +0 :               0.00001360274021
                   +1 :              -0.00000906040562
                   +2 :              -0.00000059714044
             12 vec=   -10.583355     12.099475     -5.671791   |vec|=   17.046229
                1s
                   +0 :               0.00000355061749
                2s
                   +0 :              -0.00004104771538
                3s
                   +0 :              -0.00000078916988
                2p
                   -1 :              -0.00014820100304
                   +0 :              -0.00010273563042
                   +1 :               0.00001547423625
                3p
                   -1 :               0.00007284020820
                   +0 :               0.00004535221303
                   +1 :               0.00005201324604
                3d
                   -2 :               0.00001286294102
                   -1 :               0.00000310051191
                   +0 :               0.00000751899303
                   +1 :              -0.00000405313972
                   +2 :              -0.00000257739314
             13 vec=    12.757133    -10.359920     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00000108035702
                2s
                   +0 :              -0.00000854449333
                3s
                   +0 :               0.00002844247593
                2p
                   -1 :               0.00009612996631
                   +0 :              -0.00000309801542
                   +1 :              -0.00006248996510
                3p
                   -1 :              -0.00004733596733
                   +0 :              -0.00003229959868
                   +1 :               0.00005558815191
                3d
                   -2 :               0.00000335030021
                   -1 :               0.00000116671729
                   +0 :               0.00000532788664
                   +1 :               0.00000373769233
                   +2 :               0.00000007544419
             14 vec=    -2.803193     16.591354     -5.671791   |vec|=   17.756693
                1s
                   +0 :              -0.00000104837592
                2s
                   +0 :               0.00003996627826
                3s
                   +0 :              -0.00000125682286
                2p
                   -1 :              -0.00002437575078
                   +0 :              -0.00005554483237
                   +1 :               0.00000360507337
                3p
                   -1 :               0.00001872452135
                   +0 :               0.00001875119817
                   +1 :              -0.00000553280926
                3d
                   -2 :              -0.00000242424684
                   -1 :               0.00000562307678
                   +0 :              -0.00000414810143
                   +1 :              -0.00000073024330
                   +2 :              -0.00000074006183
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 26)  npairs=  14
              1 vec=     0.209805      3.115717     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00103241223887
                2s
                   +0 :               0.00933082664823
                3s
                   +0 :              -0.00128324431036
                2p
                   -1 :               0.00821848137034
                   +0 :               0.01145057012826
                   +1 :              -0.01089165704247
                3p
                   -1 :               0.00065933899544
                   +0 :              -0.01501469838668
                   +1 :               0.00910774216302
                3d
                   -2 :              -0.00004174190700
                   -1 :              -0.00097646833848
                   +0 :               0.00138154460308
                   +1 :               0.00016295967118
                   +2 :              -0.00072893210865
              2 vec=     0.209805     -5.868041     -5.671791   |vec|=    8.163770
                1s
                   +0 :               0.00191328606564
                2s
                   +0 :              -0.01906845868015
                3s
                   +0 :               0.00314826848213
                2p
                   -1 :               0.00787918629277
                   +0 :               0.00908342001355
                   +1 :              -0.00595368297420
                3p
                   -1 :              -0.00061976555647
                   +0 :              -0.00193488807884
                   +1 :               0.00358212723375
                3d
                   -2 :              -0.00010902388132
                   -1 :              -0.00041872143145
                   +0 :              -0.00036678517264
                   +1 :               0.00008006090175
                   +2 :               0.00035415872572
              3 vec=    -7.570358     -1.376162     -5.671791   |vec|=    9.558941
                1s
                   +0 :              -0.00037900570131
                2s
                   +0 :               0.00258394531098
                3s
                   +0 :              -0.00109245900959
                2p
                   -1 :               0.00007563414351
                   +0 :               0.00188413433689
                   +1 :              -0.00335554273134
                3p
                   -1 :               0.00090838126802
                   +0 :              -0.00175194700290
                   +1 :               0.00230408502872
                3d
                   -2 :              -0.00022071598585
                   -1 :              -0.00004590239278
                   +0 :              -0.00000205328850
                   +1 :               0.00034012125607
                   +2 :               0.00004402081715
              4 vec=     7.989968     -1.376162     -5.671791   |vec|=    9.894576
                1s
                   +0 :              -0.00009083207799
                2s
                   +0 :               0.00042946174756
                3s
                   +0 :              -0.00015080644150
                2p
                   -1 :               0.00014910239098
                   +0 :              -0.00214513535061
                   +1 :              -0.00036604271615
                3p
                   -1 :               0.00041865628611
                   +0 :               0.00177617711827
                   +1 :              -0.00036759254077
                3d
                   -2 :               0.00007214677036
                   -1 :               0.00004799847925
                   +0 :              -0.00010678296249
                   +1 :               0.00009537112683
                   +2 :               0.00002010567941
              5 vec=    -7.570358      7.607596     -5.671791   |vec|=   12.138989
                1s
                   +0 :               0.00007311525370
                2s
                   +0 :              -0.00038447064990
                3s
                   +0 :               0.00028338148234
                2p
                   -1 :              -0.00140186897806
                   +0 :              -0.00202449586003
                   +1 :              -0.00021413792984
                3p
                   -1 :               0.00049499779162
                   +0 :               0.00063289392911
                   +1 :              -0.00036412362611
                3d
                   -2 :               0.00000064422353
                   -1 :              -0.00006485042855
                   +0 :               0.00006382002704
                   +1 :               0.00007873076506
                   +2 :               0.00008048285578
              6 vec=     7.989968      7.607596     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00008633784472
                2s
                   +0 :              -0.00018451885599
                3s
                   +0 :              -0.00038602089606
                2p
                   -1 :              -0.00146313438774
                   +0 :              -0.00094895206209
                   +1 :               0.00098529679738
                3p
                   -1 :               0.00027382710035
                   +0 :               0.00030354224246
                   +1 :              -0.00101350327650
                3d
                   -2 :              -0.00012452383192
                   -1 :              -0.00004834451689
                   +0 :               0.00001180016100
                   +1 :               0.00003169019956
                   +2 :               0.00004454271536
              7 vec=     0.209805     12.099475     -5.671791   |vec|=   13.364525
                1s
                   +0 :              -0.00003364707090
                2s
                   +0 :               0.00019067577546
                3s
                   +0 :              -0.00011219137325
                2p
                   -1 :               0.00010625684783
                   +0 :              -0.00043351521309
                   +1 :              -0.00022085556670
                3p
                   -1 :              -0.00018654129164
                   +0 :               0.00016240457695
                   +1 :               0.00011005671145
                3d
                   -2 :              -0.00000328486499
                   -1 :              -0.00000084953706
                   +0 :              -0.00000278960455
                   +1 :              -0.00002249839764
                   +2 :              -0.00003154962454
              8 vec=    -7.570358    -10.359920     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00001328688767
                2s
                   +0 :              -0.00004892771061
                3s
                   +0 :              -0.00002486140628
                2p
                   -1 :              -0.00018877701163
                   +0 :              -0.00054792668727
                   +1 :              -0.00008166622642
                3p
                   -1 :               0.00016824333581
                   +0 :               0.00034500680596
                   +1 :               0.00008102502305
                3d
                   -2 :              -0.00000665119211
                   -1 :              -0.00001804700686
                   +0 :              -0.00000976452754
                   +1 :              -0.00000193251020
                   +2 :               0.00000182093153
              9 vec=     7.989968    -10.359920     -5.671791   |vec|=   14.259619
                1s
                   +0 :               0.00002007102928
                2s
                   +0 :               0.00004178077156
                3s
                   +0 :               0.00001886729030
                2p
                   -1 :               0.00024750719873
                   +0 :              -0.00017391890349
                   +1 :              -0.00020870275510
                3p
                   -1 :              -0.00044486205383
                   +0 :               0.00009030283851
                   +1 :               0.00027268864363
                3d
                   -2 :              -0.00004974122275
                   -1 :              -0.00001339695027
                   +0 :              -0.00003156326804
                   +1 :               0.00001127648954
                   +2 :              -0.00004925868218
             10 vec=     0.209805    -14.851799     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00003488455752
                2s
                   +0 :              -0.00025243099710
                3s
                   +0 :               0.00007273562978
                2p
                   -1 :               0.00005215495779
                   +0 :               0.00011694256010
                   +1 :               0.00009701958853
                3p
                   -1 :              -0.00002146809515
                   +0 :               0.00003497101625
                   +1 :               0.00002230101435
                3d
                   -2 :               0.00000096726690
                   -1 :              -0.00001443799887
                   +0 :              -0.00000860005942
                   +1 :              -0.00000191773418
                   +2 :              -0.00000182724729
             11 vec=   -15.350520      3.115717     -5.671791   |vec|=   16.658793
                1s
                   +0 :               0.00006553904766
                2s
                   +0 :              -0.00056640450309
                3s
                   +0 :               0.00015234147469
                2p
                   -1 :              -0.00010848771964
                   +0 :               0.00006095802452
                   +1 :               0.00043411172043
                3p
                   -1 :               0.00007416596342
                   +0 :              -0.00006720845072
                   +1 :              -0.00011509015411
                3d
                   -2 :              -0.00000327339643
                   -1 :               0.00000033875596
                   +0 :               0.00001360274021
                   +1 :               0.00001753406870
                   +2 :              -0.00000447540805
             12 vec=    15.770130      3.115717     -5.671791   |vec|=   17.046229
                1s
                   +0 :               0.00000355061749
                2s
                   +0 :              -0.00004104771538
                3s
                   +0 :              -0.00000078916988
                2p
                   -1 :               0.00006069941983
                   +0 :              -0.00010273563042
                   +1 :              -0.00013608295163
                3p
                   -1 :              -0.00008146489650
                   +0 :               0.00004535221303
                   +1 :               0.00003707484770
                3d
                   -2 :              -0.00000866355845
                   -1 :               0.00000195986600
                   +0 :               0.00000751899303
                   +1 :               0.00000471169194
                   +2 :              -0.00000985093712
             13 vec=   -15.350520     -5.868041     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00000108035702
                2s
                   +0 :              -0.00000854449333
                3s
                   +0 :               0.00002844247593
                2p
                   -1 :               0.00000605291410
                   +0 :              -0.00000309801542
                   +1 :               0.00011449597544
                3p
                   -1 :              -0.00002447276804
                   +0 :              -0.00003229959868
                   +1 :              -0.00006878822618
                3d
                   -2 :              -0.00000160981352
                   -1 :              -0.00000382029516
                   +0 :               0.00000532788664
                   +1 :              -0.00000085843935
                   +2 :              -0.00000293916719
             14 vec=    15.770130     -5.868041     -5.671791   |vec|=   17.756693
                1s
                   +0 :              -0.00000104837592
                2s
                   +0 :               0.00003996627826
                3s
                   +0 :              -0.00000125682286
                2p
                   -1 :               0.00000906579027
                   +0 :              -0.00005554483237
                   +1 :              -0.00002291255610
                3p
                   -1 :              -0.00000457070730
                   +0 :               0.00001875119817
                   +1 :               0.00001898231579
                3d
                   -2 :               0.00000057121108
                   -1 :              -0.00000217912914
                   +0 :              -0.00000414810143
                   +1 :               0.00000523484899
                   +2 :               0.00000246949026
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 27)  npairs=  14
              1 vec=     2.593388     -1.739555     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00103241223887
                2s
                   +0 :               0.00933082664823
                3s
                   +0 :              -0.00128324431036
                2p
                   -1 :               0.00532321100291
                   +0 :               0.01145057012826
                   +1 :               0.01256324216848
                3p
                   -1 :              -0.00821720558202
                   +0 :              -0.01501469838668
                   +1 :              -0.00398286676175
                3d
                   -2 :              -0.00061040277022
                   -1 :               0.00034710695420
                   +0 :               0.00138154460308
                   +1 :              -0.00092712622270
                   +2 :               0.00040061560619
              2 vec=    -5.186775      2.752324     -5.671791   |vec|=    8.163770
                1s
                   +0 :               0.00191328606564
                2s
                   +0 :              -0.01906845868015
                3s
                   +0 :               0.00314826848213
                2p
                   -1 :               0.00121644755535
                   +0 :               0.00908342001355
                   +1 :               0.00980041697779
                3p
                   -1 :              -0.00279233040578
                   +0 :              -0.00193488807884
                   +1 :              -0.00232779633316
                3d
                   -2 :               0.00036122239411
                   -1 :               0.00014002594096
                   +0 :              -0.00036678517264
                   +1 :              -0.00040265384762
                   +2 :              -0.00008266191202
              3 vec=     2.593388      7.244203     -5.671791   |vec|=    9.558941
                1s
                   +0 :              -0.00037900570131
                2s
                   +0 :               0.00258394531098
                3s
                   +0 :              -0.00109245900959
                2p
                   -1 :               0.00286816817707
                   +0 :               0.00188413433689
                   +1 :               0.00174327245534
                3p
                   -1 :              -0.00244958680137
                   +0 :              -0.00175194700290
                   +1 :              -0.00036536125993
                3d
                   -2 :               0.00014848113887
                   -1 :              -0.00027160245174
                   +0 :              -0.00000205328850
                   +1 :              -0.00020981326628
                   +2 :               0.00016913524220
              4 vec=    -5.186775     -6.231434     -5.671791   |vec|=    9.894576
                1s
                   +0 :              -0.00009083207799
                2s
                   +0 :               0.00042946174756
                3s
                   +0 :              -0.00015080644150
                2p
                   -1 :               0.00024245109557
                   +0 :              -0.00214513535061
                   +1 :               0.00031214781643
                3p
                   -1 :               0.00010901633550
                   +0 :               0.00177617711827
                   +1 :               0.00054636324961
                3d
                   -2 :              -0.00001866135605
                   -1 :              -0.00010659305825
                   +0 :              -0.00010678296249
                   +1 :              -0.00000611766104
                   +2 :              -0.00007253377564
              5 vec=    10.373550      2.752324     -5.671791   |vec|=   12.138989
                1s
                   +0 :               0.00007311525370
                2s
                   +0 :              -0.00038447064990
                3s
                   +0 :               0.00028338148234
                2p
                   -1 :               0.00088638337618
                   +0 :              -0.00202449586003
                   +1 :              -0.00110698518286
                3p
                   -1 :               0.00006784141452
                   +0 :               0.00063289392911
                   +1 :               0.00061074247542
                3d
                   -2 :               0.00006937808591
                   -1 :              -0.00003575762833
                   +0 :               0.00006382002704
                   +1 :              -0.00009552750110
                   +2 :              -0.00004079934184
              6 vec=     2.593388    -10.723313     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00008633784472
                2s
                   +0 :              -0.00018451885599
                3s
                   +0 :              -0.00038602089606
                2p
                   -1 :              -0.00012172486293
                   +0 :              -0.00094895206209
                   +1 :              -0.00175975994762
                3p
                   -1 :               0.00074080603409
                   +0 :               0.00030354224246
                   +1 :               0.00074389286340
                3d
                   -2 :               0.00010083703902
                   -1 :              -0.00000327225942
                   +0 :               0.00001180016100
                   +1 :              -0.00005771267954
                   +2 :               0.00008556944414
              7 vec=    10.373550     -6.231434     -5.671791   |vec|=   13.364525
                1s
                   +0 :              -0.00003364707090
                2s
                   +0 :               0.00019067577546
                3s
                   +0 :              -0.00011219137325
                2p
                   -1 :               0.00013813810741
                   +0 :              -0.00043351521309
                   +1 :               0.00020244891290
                3p
                   -1 :              -0.00000204126215
                   +0 :               0.00016240457695
                   +1 :              -0.00021657785314
                3d
                   -2 :              -0.00002568034384
                   -1 :               0.00001990895243
                   +0 :              -0.00000278960455
                   +1 :               0.00001051347815
                   +2 :               0.00001861958880
              8 vec=    -5.186775     11.736082     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00001328688767
                2s
                   +0 :              -0.00004892771061
                3s
                   +0 :              -0.00002486140628
                2p
                   -1 :               0.00016511353253
                   +0 :              -0.00054792668727
                   +1 :              -0.00012265257451
                3p
                   -1 :              -0.00015429139620
                   +0 :               0.00034500680596
                   +1 :               0.00010519049130
                3d
                   -2 :               0.00000490256902
                   -1 :               0.00001069710635
                   +0 :              -0.00000976452754
                   +1 :              -0.00001466291130
                   +2 :               0.00000484963557
              9 vec=   -12.966938     -1.739555     -5.671791   |vec|=   14.259619
                1s
                   +0 :               0.00002007102928
                2s
                   +0 :               0.00004178077156
                3s
                   +0 :               0.00001886729030
                2p
                   -1 :               0.00005698828839
                   +0 :              -0.00017391890349
                   +1 :               0.00031869889927
                3p
                   -1 :              -0.00001372426579
                   +0 :               0.00009030283851
                   +1 :              -0.00052160616161
                3d
                   -2 :              -0.00001778865875
                   -1 :              -0.00000306725128
                   +0 :              -0.00003156326804
                   +1 :              -0.00001724034403
                   +2 :               0.00006770650361
             10 vec=   -12.966938      7.244203     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00003488455752
                2s
                   +0 :              -0.00025243099710
                3s
                   +0 :               0.00007273562978
                2p
                   -1 :              -0.00011009890723
                   +0 :               0.00011694256010
                   +1 :              -0.00000334227589
                3p
                   -1 :              -0.00000857919738
                   +0 :               0.00003497101625
                   +1 :              -0.00002974242295
                3d
                   -2 :              -0.00000206607602
                   -1 :               0.00000887980596
                   +0 :              -0.00000860005942
                   +1 :              -0.00001154480671
                   +2 :               0.00000007594594
             11 vec=    10.373550     11.736082     -5.671791   |vec|=   16.658793
                1s
                   +0 :               0.00006553904766
                2s
                   +0 :              -0.00056640450309
                3s
                   +0 :               0.00015234147469
                2p
                   -1 :              -0.00032170791815
                   +0 :               0.00006095802452
                   +1 :              -0.00031100898142
                3p
                   -1 :               0.00006258801548
                   +0 :              -0.00006720845072
                   +1 :               0.00012177468547
                3d
                   -2 :              -0.00000223911885
                   -1 :              -0.00001535432691
                   +0 :               0.00001360274021
                   +1 :              -0.00000847366308
                   +2 :               0.00000507254849
             12 vec=    -5.186775    -15.215192     -5.671791   |vec|=   17.046229
                1s
                   +0 :               0.00000355061749
                2s
                   +0 :              -0.00004104771538
                3s
                   +0 :              -0.00000078916988
                2p
                   -1 :               0.00008750158322
                   +0 :              -0.00010273563042
                   +1 :               0.00012060871538
                3p
                   -1 :               0.00000862468830
                   +0 :               0.00004535221303
                   +1 :              -0.00008908809374
                3d
                   -2 :              -0.00000419938257
                   -1 :              -0.00000506037791
                   +0 :               0.00000751899303
                   +1 :              -0.00000065855222
                   +2 :               0.00001242833026
             13 vec=     2.593388     16.227961     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00000108035702
                2s
                   +0 :              -0.00000854449333
                3s
                   +0 :               0.00002844247593
                2p
                   -1 :              -0.00010218288041
                   +0 :              -0.00000309801542
                   +1 :              -0.00005200601034
                3p
                   -1 :               0.00007180873537
                   +0 :              -0.00003229959868
                   +1 :               0.00001320007427
                3d
                   -2 :              -0.00000174048669
                   -1 :               0.00000265357786
                   +0 :               0.00000532788664
                   +1 :              -0.00000287925298
                   +2 :               0.00000286372300
             14 vec=   -12.966938    -10.723313     -5.671791   |vec|=   17.756693
                1s
                   +0 :              -0.00000104837592
                2s
                   +0 :               0.00003996627826
                3s
                   +0 :              -0.00000125682286
                2p
                   -1 :               0.00001530996051
                   +0 :              -0.00005554483237
                   +1 :               0.00001930748273
                3p
                   -1 :              -0.00001415381405
                   +0 :               0.00001875119817
                   +1 :              -0.00001344950654
                3d
                   -2 :               0.00000185303576
                   -1 :              -0.00000344394764
                   +0 :              -0.00000414810143
                   +1 :              -0.00000450460569
                   +2 :              -0.00000172942843
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 28)  npairs=  13
              1 vec=     0.209286     -3.115418      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00244539642735
                2s
                   +0 :              -0.02142093231354
                3s
                   +0 :               0.00510915853091
                2p
                   -1 :               0.00915412418259
                   +0 :              -0.00810282657106
                   +1 :               0.00261594035316
                3p
                   -1 :              -0.00387769199355
                   +0 :               0.00222682660929
                   +1 :              -0.00209551933842
                3d
                   -2 :              -0.00019428097218
                   -1 :               0.00069338973849
                   +0 :              -0.00074512636818
                   +1 :              -0.00018834368642
                   +2 :              -0.00031202831979
              2 vec=     0.209286      5.868340      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00018083521145
                2s
                   +0 :               0.00107624638974
                3s
                   +0 :              -0.00042241017959
                2p
                   -1 :              -0.00098591536048
                   +0 :               0.00379188437511
                   +1 :              -0.00180194082850
                3p
                   -1 :              -0.00050628779060
                   +0 :              -0.00073838113887
                   +1 :               0.00144294106534
                3d
                   -2 :              -0.00010046257354
                   -1 :               0.00001396240756
                   +0 :               0.00042808394672
                   +1 :               0.00005307193277
                   +2 :               0.00021033760564
              3 vec=    -7.570876      1.376461      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00025999644679
                2s
                   +0 :               0.00241831286563
                3s
                   +0 :              -0.00060321402557
                2p
                   -1 :              -0.00010368555837
                   +0 :               0.00188810001317
                   +1 :              -0.00069256709596
                3p
                   -1 :              -0.00037037884891
                   +0 :               0.00000983968348
                   +1 :               0.00064507161956
                3d
                   -2 :               0.00006232303421
                   -1 :              -0.00011686708886
                   +0 :               0.00003200479039
                   +1 :              -0.00011230935921
                   +2 :               0.00005310203499
              4 vec=     7.989449      1.376461      6.601980   |vec|=   10.455242
                1s
                   +0 :              -0.00020725172067
                2s
                   +0 :               0.00168667902454
                3s
                   +0 :              -0.00046081045929
                2p
                   -1 :              -0.00167970257807
                   +0 :               0.00070970958299
                   +1 :              -0.00032176466988
                3p
                   -1 :               0.00116648806629
                   +0 :               0.00025965500159
                   +1 :               0.00016807303604
                3d
                   -2 :               0.00002891733404
                   -1 :               0.00001773868672
                   +0 :               0.00003095284200
                   +1 :               0.00005077614220
                   +2 :              -0.00008066819358
              5 vec=    -7.570876     -7.607297      6.601980   |vec|=   12.600606
                1s
                   +0 :              -0.00005457331268
                2s
                   +0 :               0.00095771039410
                3s
                   +0 :              -0.00005560613054
                2p
                   -1 :               0.00048379814129
                   +0 :               0.00073946756826
                   +1 :              -0.00104535972199
                3p
                   -1 :              -0.00011841184404
                   +0 :               0.00004197046396
                   +1 :               0.00077748797488
                3d
                   -2 :              -0.00002099949364
                   -1 :              -0.00000478937691
                   +0 :               0.00006731447705
                   +1 :              -0.00002887574239
                   +2 :               0.00001083871133
              6 vec=     7.989449     -7.607297      6.601980   |vec|=   12.856453
                1s
                   +0 :              -0.00008729504644
                2s
                   +0 :               0.00084516217513
                3s
                   +0 :              -0.00009172168573
                2p
                   -1 :               0.00067232786170
                   +0 :               0.00019559155379
                   +1 :              -0.00063199088077
                3p
                   -1 :              -0.00038364147518
                   +0 :               0.00029056171956
                   +1 :               0.00068997025297
                3d
                   -2 :               0.00003577342858
                   -1 :               0.00003002184296
                   +0 :               0.00004646480524
                   +1 :               0.00000291054877
                   +2 :               0.00001485685224
              7 vec=     0.209286    -12.099176      6.601980   |vec|=   13.784774
                1s
                   +0 :              -0.00002655475910
                2s
                   +0 :               0.00036507999945
                3s
                   +0 :              -0.00009867953318
                2p
                   -1 :              -0.00014861983748
                   +0 :               0.00034215379773
                   +1 :               0.00013853265245
                3p
                   -1 :              -0.00000122527909
                   +0 :              -0.00015361721641
                   +1 :              -0.00016223890730
                3d
                   -2 :               0.00004031338547
                   -1 :               0.00000830796654
                   +0 :               0.00001912742165
                   +1 :              -0.00000265758674
                   +2 :              -0.00000394898960
              8 vec=    -7.570876     10.360219      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00000049799958
                2s
                   +0 :               0.00002869432991
                3s
                   +0 :              -0.00002304916263
                2p
                   -1 :              -0.00001245063308
                   +0 :              -0.00017768042281
                   +1 :              -0.00038865824538
                3p
                   -1 :              -0.00001996720903
                   +0 :               0.00015012829182
                   +1 :               0.00027705619733
                3d
                   -2 :              -0.00000288048034
                   -1 :               0.00001481666174
                   +0 :              -0.00000698648610
                   +1 :              -0.00000115742766
                   +2 :              -0.00002155852097
              9 vec=     7.989449     10.360219      6.601980   |vec|=   14.654405
                1s
                   +0 :              -0.00003896304864
                2s
                   +0 :               0.00030694792489
                3s
                   +0 :              -0.00007760551503
                2p
                   -1 :              -0.00007351481779
                   +0 :               0.00010732572166
                   +1 :               0.00008916267548
                3p
                   -1 :               0.00001588033531
                   +0 :              -0.00000131632539
                   +1 :              -0.00000536253522
                3d
                   -2 :               0.00001390305849
                   -1 :              -0.00000942684892
                   +0 :               0.00001206002578
                   +1 :               0.00000598970314
                   +2 :               0.00001828814025
             10 vec=     0.209286     14.852098      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00005960930279
                2s
                   +0 :               0.00052574332171
                3s
                   +0 :              -0.00010789064189
                2p
                   -1 :               0.00018216434915
                   +0 :               0.00000960585083
                   +1 :              -0.00029052995681
                3p
                   -1 :              -0.00002115086625
                   +0 :               0.00008715071478
                   +1 :               0.00025123368202
                3d
                   -2 :               0.00002656226767
                   -1 :               0.00001176209515
                   +0 :               0.00000530155332
                   +1 :               0.00000066133527
                   +2 :              -0.00001197908702
             11 vec=   -15.351039     -3.115418      6.601980   |vec|=   16.998422
                1s
                   +0 :              -0.00002348814450
                2s
                   +0 :               0.00023958067195
                3s
                   +0 :              -0.00005367000106
                2p
                   -1 :               0.00006327674055
                   +0 :              -0.00003250111465
                   +1 :              -0.00029032025326
                3p
                   -1 :              -0.00005357738663
                   +0 :               0.00010688848587
                   +1 :               0.00026048099708
                3d
                   -2 :               0.00000105217890
                   -1 :               0.00000176531072
                   +0 :               0.00001454079160
                   +1 :              -0.00000548899557
                   +2 :              -0.00001699801803
             12 vec=    15.769612     -3.115418      6.601980   |vec|=   17.377359
                1s
                   +0 :              -0.00002228745523
                2s
                   +0 :               0.00021320371936
                3s
                   +0 :              -0.00002545680934
                2p
                   -1 :               0.00001816506985
                   +0 :               0.00010452775730
                   +1 :              -0.00012661189176
                3p
                   -1 :              -0.00001837681235
                   +0 :               0.00000954090616
                   +1 :               0.00012228830964
                3d
                   -2 :               0.00000796215411
                   -1 :              -0.00000354577141
                   +0 :               0.00000568158101
                   +1 :               0.00000269456589
                   +2 :               0.00000157290308
             13 vec=   -15.351039      5.868340      6.601980   |vec|=   17.710956
                1s
                   +0 :              -0.00000205071922
                2s
                   +0 :               0.00007542633956
                3s
                   +0 :               0.00003192374962
                2p
                   -1 :               0.00001989964321
                   +0 :               0.00004207805492
                   +1 :              -0.00010132878192
                3p
                   -1 :              -0.00000151028795
                   +0 :              -0.00000049353229
                   +1 :               0.00003789660359
                3d
                   -2 :               0.00000256510203
                   -1 :               0.00000610346526
                   +0 :               0.00000234105253
                   +1 :               0.00000364406583
                   +2 :              -0.00000161027960
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 29)  npairs=  13
              1 vec=    -2.802674      1.376461      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00244539642735
                2s
                   +0 :              -0.02142093231354
                3s
                   +0 :               0.00510915853091
                2p
                   -1 :              -0.00684253289192
                   +0 :              -0.00810282657106
                   +1 :               0.00661973391494
                3p
                   -1 :               0.00375361897797
                   +0 :               0.00222682660929
                   +1 :              -0.00231042010526
                3d
                   -2 :              -0.00017308396555
                   -1 :              -0.00018358445216
                   +0 :              -0.00074512636818
                   +1 :               0.00069466497146
                   +2 :               0.00032426641728
              2 vec=     4.977489     -3.115418      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00018083521145
                2s
                   +0 :               0.00107624638974
                3s
                   +0 :              -0.00042241017959
                2p
                   -1 :               0.00205348421384
                   +0 :               0.00379188437511
                   +1 :               0.00004714266610
                3p
                   -1 :              -0.00099647972345
                   +0 :              -0.00073838113887
                   +1 :              -0.00115992862096
                3d
                   -2 :               0.00023238899663
                   -1 :              -0.00005294284579
                   +0 :               0.00042808394672
                   +1 :              -0.00001444416674
                   +2 :              -0.00001816566201
              3 vec=     4.977489      5.868340      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00025999644679
                2s
                   +0 :               0.00241831286563
                3s
                   +0 :              -0.00060321402557
                2p
                   -1 :               0.00065162347811
                   +0 :               0.00188810001317
                   +1 :               0.00025648922043
                3p
                   -1 :              -0.00037345898534
                   +0 :               0.00000983968348
                   +1 :              -0.00064329330196
                3d
                   -2 :               0.00001482619419
                   -1 :               0.00015569630259
                   +0 :               0.00003200479039
                   +1 :              -0.00004505518822
                   +2 :              -0.00008052434836
              4 vec=    -2.802674     -7.607297      6.601980   |vec|=   10.455242
                1s
                   +0 :              -0.00020725172067
                2s
                   +0 :               0.00168667902454
                3s
                   +0 :              -0.00046081045929
                2p
                   -1 :               0.00111850766719
                   +0 :               0.00070970958299
                   +1 :              -0.00129378276847
                3p
                   -1 :              -0.00072879955205
                   +0 :               0.00025965500159
                   +1 :               0.00092617178060
                3d
                   -2 :              -0.00008431937194
                   -1 :              -0.00005284277241
                   +0 :               0.00003095284200
                   +1 :              -0.00001002591777
                   +2 :               0.00001529095090
              5 vec=    -2.802674     10.360219      6.601980   |vec|=   12.600606
                1s
                   +0 :              -0.00005457331268
                2s
                   +0 :               0.00095771039410
                3s
                   +0 :              -0.00005560613054
                2p
                   -1 :               0.00066340900469
                   +0 :               0.00073946756826
                   +1 :               0.00094166134165
                3p
                   -1 :              -0.00061411841536
                   +0 :               0.00004197046396
                   +1 :              -0.00049129165248
                3d
                   -2 :               0.00001988634617
                   -1 :               0.00002740181492
                   +0 :               0.00006731447705
                   +1 :               0.00001029014912
                   +2 :               0.00001276673930
              6 vec=   -10.582837     -3.115418      6.601980   |vec|=   12.856453
                1s
                   +0 :              -0.00008729504644
                2s
                   +0 :               0.00084516217513
                3s
                   +0 :              -0.00009172168573
                2p
                   -1 :               0.00021115622686
                   +0 :               0.00019559155379
                   +1 :               0.00089824844829
                3p
                   -1 :              -0.00040571102934
                   +0 :               0.00029056171956
                   +1 :              -0.00067722838994
                3d
                   -2 :              -0.00000502030283
                   -1 :              -0.00001753153066
                   +0 :               0.00004646480524
                   +1 :               0.00002454440429
                   +2 :              -0.00003840912405
              7 vec=   -10.582837      5.868340      6.601980   |vec|=   13.784774
                1s
                   +0 :              -0.00002655475910
                2s
                   +0 :               0.00036507999945
                3s
                   +0 :              -0.00009867953318
                2p
                   -1 :              -0.00004566287753
                   +0 :               0.00034215379773
                   +1 :              -0.00019797488099
                3p
                   -1 :               0.00014111565475
                   +0 :              -0.00015361721641
                   +1 :               0.00008005833084
                3d
                   -2 :              -0.00002357661804
                   -1 :              -0.00000185244564
                   +0 :               0.00001912742165
                   +1 :               0.00000852370344
                   +2 :              -0.00003293792113
              8 vec=    12.757651      1.376461      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00000049799958
                2s
                   +0 :               0.00002869432991
                3s
                   +0 :              -0.00002304916263
                2p
                   -1 :               0.00034281323043
                   +0 :              -0.00017768042281
                   +1 :               0.00018354655815
                3p
                   -1 :              -0.00022995410065
                   +0 :               0.00015012829182
                   +1 :              -0.00015582020893
                3d
                   -2 :              -0.00001722998665
                   -1 :              -0.00000640596911
                   +0 :              -0.00000698648610
                   +1 :               0.00001341031929
                   +2 :               0.00001327382964
              9 vec=     4.977489    -12.099176      6.601980   |vec|=   14.654405
                1s
                   +0 :              -0.00003896304864
                2s
                   +0 :               0.00030694792489
                3s
                   +0 :              -0.00007760551503
                2p
                   -1 :              -0.00004045973313
                   +0 :               0.00010732572166
                   +1 :              -0.00010824703750
                3p
                   -1 :              -0.00000329607592
                   +0 :              -0.00000131632539
                   +1 :               0.00001643404141
                3d
                   -2 :               0.00000888646480
                   -1 :              -0.00000047381062
                   +0 :               0.00001206002578
                   +1 :              -0.00001115874221
                   +2 :              -0.00002118447197
             10 vec=    12.757651     -7.607297      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00005960930279
                2s
                   +0 :               0.00052574332171
                3s
                   +0 :              -0.00010789064189
                2p
                   -1 :               0.00016052414858
                   +0 :               0.00000960585083
                   +1 :               0.00030302393243
                3p
                   -1 :              -0.00020699931779
                   +0 :               0.00008715071478
                   +1 :              -0.00014393402849
                3d
                   -2 :              -0.00002365532751
                   -1 :              -0.00000645378072
                   +0 :               0.00000530155332
                   +1 :               0.00000985560557
                   +2 :              -0.00001701405508
             11 vec=     4.977489     14.852098      6.601980   |vec|=   16.998422
                1s
                   +0 :              -0.00002348814450
                2s
                   +0 :               0.00023958067195
                3s
                   +0 :              -0.00005367000106
                2p
                   -1 :               0.00021978634428
                   +0 :              -0.00003250111465
                   +1 :               0.00019995939142
                3p
                   -1 :              -0.00019879446736
                   +0 :               0.00010688848587
                   +1 :              -0.00017663987643
                3d
                   -2 :              -0.00001524680488
                   -1 :               0.00000387095424
                   +0 :               0.00001454079160
                   +1 :               0.00000427330171
                   +2 :               0.00000758779536
             12 vec=   -10.582837    -12.099176      6.601980   |vec|=   17.377359
                1s
                   +0 :              -0.00002228745523
                2s
                   +0 :               0.00021320371936
                3s
                   +0 :              -0.00002545680934
                2p
                   -1 :               0.00010056657976
                   +0 :               0.00010452775730
                   +1 :               0.00007903735783
                3p
                   -1 :              -0.00009671637656
                   +0 :               0.00000954090616
                   +1 :              -0.00007705894116
                3d
                   -2 :              -0.00000261890303
                   -1 :              -0.00000056067681
                   +0 :               0.00000568158101
                   +1 :              -0.00000441801106
                   +2 :              -0.00000768187927
             13 vec=    12.757651     10.360219      6.601980   |vec|=   17.710956
                1s
                   +0 :              -0.00000205071922
                2s
                   +0 :               0.00007542633956
                3s
                   +0 :               0.00003192374962
                2p
                   -1 :               0.00007780347767
                   +0 :               0.00004207805492
                   +1 :               0.00006789798751
                3p
                   -1 :              -0.00003206427745
                   +0 :              -0.00000049353229
                   +1 :              -0.00002025624952
                3d
                   -2 :              -0.00000267709406
                   -1 :              -0.00000620758621
                   +0 :               0.00000234105253
                   +1 :               0.00000346372305
                   +2 :              -0.00000141630372
WF             site_B          number of pairs
WF(  3)=[Cr 3dz2]  to site O ( 30)  npairs=  13
              1 vec=     2.593388      1.738956      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00244539642735
                2s
                   +0 :              -0.02142093231354
                3s
                   +0 :               0.00510915853091
                2p
                   -1 :              -0.00231159129067
                   +0 :              -0.00810282657106
                   +1 :              -0.00923567426810
                3p
                   -1 :               0.00012407301559
                   +0 :               0.00222682660929
                   +1 :               0.00440593944368
                3d
                   -2 :               0.00036736493773
                   -1 :              -0.00050980528633
                   +0 :              -0.00074512636818
                   +1 :              -0.00050632128504
                   +2 :              -0.00001223809748
              2 vec=    -5.186775     -2.752923      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00018083521145
                2s
                   +0 :               0.00107624638974
                3s
                   +0 :              -0.00042241017959
                2p
                   -1 :              -0.00106756885336
                   +0 :               0.00379188437511
                   +1 :               0.00175479816241
                3p
                   -1 :               0.00150276751405
                   +0 :              -0.00073838113887
                   +1 :              -0.00028301244438
                3d
                   -2 :              -0.00013192642309
                   -1 :               0.00003898043823
                   +0 :               0.00042808394672
                   +1 :              -0.00003862776603
                   +2 :              -0.00019217194364
              3 vec=     2.593388     -7.244802      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00025999644679
                2s
                   +0 :               0.00241831286563
                3s
                   +0 :              -0.00060321402557
                2p
                   -1 :              -0.00054793791974
                   +0 :               0.00188810001317
                   +1 :               0.00043607787553
                3p
                   -1 :               0.00074383783425
                   +0 :               0.00000983968348
                   +1 :              -0.00000177831760
                3d
                   -2 :              -0.00007714922840
                   -1 :              -0.00003882921373
                   +0 :               0.00003200479039
                   +1 :               0.00015736454743
                   +2 :               0.00002742231338
              4 vec=    -5.186775      6.230835      6.601980   |vec|=   10.455242
                1s
                   +0 :              -0.00020725172067
                2s
                   +0 :               0.00168667902454
                3s
                   +0 :              -0.00046081045929
                2p
                   -1 :               0.00056119491087
                   +0 :               0.00070970958299
                   +1 :               0.00161554743835
                3p
                   -1 :              -0.00043768851424
                   +0 :               0.00025965500159
                   +1 :              -0.00109424481664
                3d
                   -2 :               0.00005540203790
                   -1 :               0.00003510408569
                   +0 :               0.00003095284200
                   +1 :              -0.00004075022443
                   +2 :               0.00006537724268
              5 vec=    10.373550     -2.752923      6.601980   |vec|=   12.600606
                1s
                   +0 :              -0.00005457331268
                2s
                   +0 :               0.00095771039410
                3s
                   +0 :              -0.00005560613054
                2p
                   -1 :              -0.00114720714598
                   +0 :               0.00073946756826
                   +1 :               0.00010369838034
                3p
                   -1 :               0.00073253025940
                   +0 :               0.00004197046396
                   +1 :              -0.00028619632239
                3d
                   -2 :               0.00000111314747
                   -1 :              -0.00002261243800
                   +0 :               0.00006731447705
                   +1 :               0.00001858559327
                   +2 :              -0.00002360545062
              6 vec=     2.593388     10.722714      6.601980   |vec|=   12.856453
                1s
                   +0 :              -0.00008729504644
                2s
                   +0 :               0.00084516217513
                3s
                   +0 :              -0.00009172168573
                2p
                   -1 :              -0.00088348408856
                   +0 :               0.00019559155379
                   +1 :              -0.00026625756752
                3p
                   -1 :               0.00078935250452
                   +0 :               0.00029056171956
                   +1 :              -0.00001274186303
                3d
                   -2 :              -0.00003075312575
                   -1 :              -0.00001249031230
                   +0 :               0.00004646480524
                   +1 :              -0.00002745495306
                   +2 :               0.00002355227181
              7 vec=    10.373550      6.230835      6.601980   |vec|=   13.784774
                1s
                   +0 :              -0.00002655475910
                2s
                   +0 :               0.00036507999945
                3s
                   +0 :              -0.00009867953318
                2p
                   -1 :               0.00019428271501
                   +0 :               0.00034215379773
                   +1 :               0.00005944222854
                3p
                   -1 :              -0.00013989037566
                   +0 :              -0.00015361721641
                   +1 :               0.00008218057647
                3d
                   -2 :              -0.00001673676742
                   -1 :              -0.00000645552090
                   +0 :               0.00001912742165
                   +1 :              -0.00000586611671
                   +2 :               0.00003688691072
              8 vec=    -5.186775    -11.736681      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00000049799958
                2s
                   +0 :               0.00002869432991
                3s
                   +0 :              -0.00002304916263
                2p
                   -1 :              -0.00033036259735
                   +0 :              -0.00017768042281
                   +1 :               0.00020511168723
                3p
                   -1 :               0.00024992130968
                   +0 :               0.00015012829182
                   +1 :              -0.00012123598840
                3d
                   -2 :               0.00002011046700
                   -1 :              -0.00000841069262
                   +0 :              -0.00000698648610
                   +1 :              -0.00001225289163
                   +2 :               0.00000828469133
              9 vec=   -12.966938      1.738956      6.601980   |vec|=   14.654405
                1s
                   +0 :              -0.00003896304864
                2s
                   +0 :               0.00030694792489
                3s
                   +0 :              -0.00007760551503
                2p
                   -1 :               0.00011397455093
                   +0 :               0.00010732572166
                   +1 :               0.00001908436203
                3p
                   -1 :              -0.00001258425939
                   +0 :              -0.00000131632539
                   +1 :              -0.00001107150619
                3d
                   -2 :              -0.00002278952329
                   -1 :               0.00000990065954
                   +0 :               0.00001206002578
                   +1 :               0.00000516903907
                   +2 :               0.00000289633172
             10 vec=   -12.966938     -7.244802      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00005960930279
                2s
                   +0 :               0.00052574332171
                3s
                   +0 :              -0.00010789064189
                2p
                   -1 :              -0.00034268849773
                   +0 :               0.00000960585083
                   +1 :              -0.00001249397563
                3p
                   -1 :               0.00022815018404
                   +0 :               0.00008715071478
                   +1 :              -0.00010729965353
                3d
                   -2 :              -0.00000290694017
                   -1 :              -0.00000530831444
                   +0 :               0.00000530155332
                   +1 :              -0.00001051694084
                   +2 :               0.00002899314210
             11 vec=    10.373550    -11.736681      6.601980   |vec|=   16.998422
                1s
                   +0 :              -0.00002348814450
                2s
                   +0 :               0.00023958067195
                3s
                   +0 :              -0.00005367000106
                2p
                   -1 :              -0.00028306308483
                   +0 :              -0.00003250111465
                   +1 :               0.00009036086184
                3p
                   -1 :               0.00025237185399
                   +0 :               0.00010688848587
                   +1 :              -0.00008384112065
                3d
                   -2 :               0.00001419462598
                   -1 :              -0.00000563626496
                   +0 :               0.00001454079160
                   +1 :               0.00000121569386
                   +2 :               0.00000941022267
             12 vec=    -5.186775     15.214593      6.601980   |vec|=   17.377359
                1s
                   +0 :              -0.00002228745523
                2s
                   +0 :               0.00021320371936
                3s
                   +0 :              -0.00002545680934
                2p
                   -1 :              -0.00011873164961
                   +0 :               0.00010452775730
                   +1 :               0.00004757453393
                3p
                   -1 :               0.00011509318891
                   +0 :               0.00000954090616
                   +1 :              -0.00004522936849
                3d
                   -2 :              -0.00000534325108
                   -1 :               0.00000410644822
                   +0 :               0.00000568158101
                   +1 :               0.00000172344517
                   +2 :               0.00000610897618
             13 vec=     2.593388    -16.228560      6.601980   |vec|=   17.710956
                1s
                   +0 :              -0.00000205071922
                2s
                   +0 :               0.00007542633956
                3s
                   +0 :               0.00003192374962
                2p
                   -1 :              -0.00009770312089
                   +0 :               0.00004207805492
                   +1 :               0.00003343079441
                3p
                   -1 :               0.00003357456540
                   +0 :              -0.00000049353229
                   +1 :              -0.00001764035406
                3d
                   -2 :               0.00000011199203
                   -1 :               0.00000010412095
                   +0 :               0.00000234105253
                   +1 :              -0.00000710778888
                   +2 :               0.00000302658332
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al(  1)  npairs=  13
              1 vec=     0.000000      0.000000      5.021445   |vec|=    5.021445
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00094425301919
                   +0 :               0.00000000000000
                   +1 :               0.00349771900489
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00033362328295
                   +0 :              -0.00000000000000
                   +1 :              -0.00194633430648
                4p
                   -1 :               0.00034273014724
                   +0 :               0.00000000000000
                   +1 :               0.00183893265256
                3d
                   -2 :              -0.00176731152272
                   -1 :              -0.00048231322247
                   +0 :               0.00000000000000
                   +1 :               0.00798386234266
                   +2 :               0.00242832501451
              2 vec=    -7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00025062056608
                2p
                   -1 :              -0.00053038952762
                   +0 :              -0.00086846720771
                   +1 :              -0.00015032661970
                3s
                   +0 :              -0.00204563375444
                4s
                   +0 :               0.00146803553610
                3p
                   -1 :               0.00282271894762
                   +0 :               0.00704946854924
                   +1 :               0.00263567737974
                4p
                   -1 :              -0.00095840816067
                   +0 :              -0.00102982122271
                   +1 :              -0.00102303293731
                3d
                   -2 :              -0.00125826377546
                   -1 :              -0.00026864526367
                   +0 :              -0.00119749271962
                   +1 :               0.00082606059502
                   +2 :              -0.00071086622270
              3 vec=    -7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00087787511978
                2p
                   -1 :              -0.00001982050144
                   +0 :              -0.00019608804398
                   +1 :              -0.00018532977138
                3s
                   +0 :               0.00550325672491
                4s
                   +0 :              -0.00059764166609
                3p
                   -1 :              -0.00020297535434
                   +0 :               0.00247616335212
                   +1 :               0.00096285992441
                4p
                   -1 :               0.00028978148071
                   +0 :              -0.00018997011715
                   +1 :              -0.00035511190497
                3d
                   -2 :              -0.00030241983322
                   -1 :              -0.00031488906229
                   +0 :              -0.00023059941769
                   +1 :               0.00025915346434
                   +2 :              -0.00036698925169
              4 vec=     0.000000     -8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00068687900580
                2p
                   -1 :               0.00028764389009
                   +0 :              -0.00015671003036
                   +1 :              -0.00005395011388
                3s
                   +0 :               0.00205217403918
                4s
                   +0 :              -0.00071361812737
                3p
                   -1 :              -0.00173859249578
                   +0 :               0.00044714994985
                   +1 :               0.00039991725878
                4p
                   -1 :               0.00033414447827
                   +0 :              -0.00006871384152
                   +1 :               0.00025123446325
                3d
                   -2 :              -0.00024666080012
                   -1 :              -0.00011324764214
                   +0 :              -0.00012158722248
                   +1 :               0.00022204883201
                   +2 :              -0.00043905426714
              5 vec=     0.000000      8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00016762595443
                2p
                   -1 :              -0.00004870560836
                   +0 :               0.00008742702382
                   +1 :              -0.00028044134441
                3s
                   +0 :               0.00039801343294
                4s
                   +0 :              -0.00070163027649
                3p
                   -1 :               0.00144315994405
                   +0 :              -0.00017117801745
                   +1 :               0.00248575233445
                4p
                   -1 :              -0.00087354243640
                   +0 :              -0.00006325601130
                   +1 :              -0.00017119360749
                3d
                   -2 :               0.00025637685689
                   -1 :               0.00009723892219
                   +0 :               0.00013726095441
                   +1 :               0.00095537315398
                   +2 :              -0.00030962845716
              6 vec=     7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00008299461165
                2p
                   -1 :              -0.00040223022499
                   +0 :               0.00078104018389
                   +1 :              -0.00063253449273
                3s
                   +0 :               0.00164762032149
                4s
                   +0 :              -0.00076640525961
                3p
                   -1 :               0.00200310054795
                   +0 :              -0.00687829053179
                   +1 :               0.00375544800020
                4p
                   -1 :              -0.00017826079896
                   +0 :               0.00109307723401
                   +1 :              -0.00067060914552
                3d
                   -2 :              -0.00084842555721
                   -1 :               0.00002628479035
                   +0 :               0.00106023176521
                   +1 :               0.00057385187471
                   +2 :               0.00080146992529
              7 vec=     7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00156475412558
                2p
                   -1 :               0.00002013357340
                   +0 :               0.00035279807434
                   +1 :               0.00014663203119
                3s
                   +0 :              -0.00755543076409
                4s
                   +0 :               0.00131125979346
                3p
                   -1 :              -0.00048326127575
                   +0 :              -0.00292331330197
                   +1 :              -0.00064849486338
                4p
                   -1 :              -0.00021314837888
                   +0 :               0.00025868395867
                   +1 :              -0.00001351923799
                3d
                   -2 :              -0.00033695045078
                   -1 :              -0.00018193479802
                   +0 :               0.00035218664017
                   +1 :               0.00041522774048
                   +2 :              -0.00045131049857
              8 vec=   -15.560325     -0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00000741026212
                2p
                   -1 :               0.00002762033370
                   +0 :              -0.00000951518139
                   +1 :               0.00001884146652
                3s
                   +0 :              -0.00088031301211
                4s
                   +0 :              -0.00003294158210
                3p
                   -1 :              -0.00054464903060
                   +0 :              -0.00034223036110
                   +1 :               0.00018370108529
                4p
                   -1 :               0.00002194325169
                   +0 :              -0.00006340302146
                   +1 :               0.00000799304318
                3d
                   -2 :               0.00004581775303
                   -1 :              -0.00014176688610
                   +0 :              -0.00022040016816
                   +1 :               0.00012990700542
                   +2 :              -0.00004456926063
              9 vec=    -7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00018841084838
                2p
                   -1 :              -0.00001853806088
                   +0 :              -0.00000325028896
                   +1 :               0.00004537292814
                3s
                   +0 :              -0.00216913750489
                4s
                   +0 :               0.00023860341602
                3p
                   -1 :               0.00069487077258
                   +0 :              -0.00047867248698
                   +1 :              -0.00042883947729
                4p
                   -1 :              -0.00007496030710
                   +0 :              -0.00008818264558
                   +1 :               0.00009095252330
                3d
                   -2 :               0.00011658759108
                   -1 :               0.00023844486419
                   +0 :              -0.00020189184012
                   +1 :              -0.00012021314809
                   +2 :               0.00010147031676
             10 vec=    -7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00025850347235
                2p
                   -1 :               0.00001952880511
                   +0 :              -0.00004641202889
                   +1 :               0.00009541797710
                3s
                   +0 :               0.00192818602084
                4s
                   +0 :              -0.00038537192337
                3p
                   -1 :               0.00010674017627
                   +0 :               0.00069414518341
                   +1 :              -0.00083781340103
                4p
                   -1 :              -0.00000650430699
                   +0 :              -0.00004556943245
                   +1 :               0.00017025628833
                3d
                   -2 :               0.00000000058632
                   -1 :               0.00002225109008
                   +0 :               0.00004934767884
                   +1 :              -0.00019451894491
                   +2 :               0.00017096218389
             11 vec=     7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00004612103010
                2p
                   -1 :              -0.00001216566262
                   +0 :              -0.00001017965564
                   +1 :               0.00003744251409
                3s
                   +0 :               0.00160496714105
                4s
                   +0 :              -0.00008765374292
                3p
                   -1 :              -0.00056062242832
                   +0 :               0.00071358165315
                   +1 :              -0.00034370547538
                4p
                   -1 :               0.00001957513971
                   +0 :               0.00002859302598
                   +1 :               0.00000201087734
                3d
                   -2 :               0.00007796207481
                   -1 :              -0.00022141942393
                   +0 :               0.00020376551043
                   +1 :              -0.00006768157300
                   +2 :              -0.00009568610229
             12 vec=     7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00005353129222
                2p
                   -1 :              -0.00000838164419
                   +0 :               0.00001969483703
                   +1 :              -0.00000631369322
                3s
                   +0 :              -0.00072465412894
                4s
                   +0 :               0.00012059532503
                3p
                   -1 :              -0.00009588824980
                   +0 :              -0.00037135129205
                   +1 :              -0.00009383556326
                4p
                   -1 :               0.00002593990329
                   +0 :               0.00003480999548
                   +1 :               0.00000295111512
                3d
                   -2 :               0.00001762143048
                   -1 :              -0.00001047642660
                   +0 :               0.00001663465774
                   +1 :              -0.00003786840503
                   +2 :              -0.00009796548071
             13 vec=    15.560325      0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00007009262396
                2p
                   -1 :               0.00004383565585
                   +0 :               0.00004966231785
                   +1 :               0.00003742857962
                3s
                   +0 :               0.00024095148404
                4s
                   +0 :               0.00014676850735
                3p
                   -1 :               0.00004662366698
                   +0 :              -0.00021547269644
                   +1 :              -0.00012399040201
                4p
                   -1 :               0.00002794676809
                   +0 :               0.00013375207803
                   +1 :               0.00007131977068
                3d
                   -2 :              -0.00000188763359
                   -1 :               0.00006599726944
                   +0 :               0.00015254416128
                   +1 :               0.00002986325402
                   +2 :               0.00003524894245
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al(  2)  npairs=  14
              1 vec=     0.000000      0.000000    -12.273771   |vec|=   12.273771
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00013126648486
                   +0 :               0.00000000000000
                   +1 :              -0.00002508786334
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00077111785169
                   +0 :              -0.00000000000000
                   +1 :               0.00206217339400
                4p
                   -1 :              -0.00022074301919
                   +0 :               0.00000000000000
                   +1 :              -0.00019119684913
                3d
                   -2 :              -0.00012666129216
                   -1 :               0.00007275573392
                   +0 :              -0.00000000000000
                   +1 :              -0.00056646083856
                   +2 :              -0.00001417909049
              2 vec=     0.000000      0.000000     12.273771   |vec|=   12.273771
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :              -0.00029524888037
                   +0 :              -0.00000000000000
                   +1 :              -0.00023319265394
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :               0.00155697359227
                   +0 :               0.00000000000000
                   +1 :              -0.00011741071807
                4p
                   -1 :              -0.00050762184089
                   +0 :              -0.00000000000000
                   +1 :              -0.00003271341434
                3d
                   -2 :              -0.00015581360341
                   -1 :               0.00011387257561
                   +0 :               0.00000000000000
                   +1 :              -0.00023093313453
                   +2 :               0.00051625403579
              3 vec=    -7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00040758010789
                2p
                   -1 :              -0.00007088495124
                   +0 :              -0.00018940019502
                   +1 :              -0.00022253371036
                3s
                   +0 :              -0.00122003057761
                4s
                   +0 :               0.00038993497395
                3p
                   -1 :               0.00038179815421
                   +0 :               0.00127969822085
                   +1 :               0.00119326597047
                4p
                   -1 :              -0.00008439915848
                   +0 :              -0.00027036620456
                   +1 :              -0.00023150705512
                3d
                   -2 :              -0.00010525735929
                   -1 :              -0.00016083326944
                   +0 :               0.00000024614149
                   +1 :              -0.00023559524608
                   +2 :              -0.00003481360974
              4 vec=    -7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00047489460419
                2p
                   -1 :               0.00007636449739
                   +0 :               0.00026738741831
                   +1 :              -0.00016633302111
                3s
                   +0 :              -0.00294335780032
                4s
                   +0 :               0.00096851207297
                3p
                   -1 :              -0.00045287937062
                   +0 :              -0.00277645566408
                   +1 :               0.00108871667509
                4p
                   -1 :               0.00023381573780
                   +0 :               0.00076965083698
                   +1 :              -0.00026952482318
                3d
                   -2 :              -0.00024254955082
                   -1 :               0.00010184408863
                   +0 :              -0.00071121296333
                   +1 :               0.00022128754876
                   +2 :               0.00005192747468
              5 vec=    -7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00035855344912
                2p
                   -1 :               0.00002713917446
                   +0 :              -0.00002275217623
                   +1 :               0.00004807571071
                3s
                   +0 :               0.00235232613292
                4s
                   +0 :              -0.00035300187213
                3p
                   -1 :               0.00008007254143
                   +0 :               0.00029282061240
                   +1 :              -0.00005538463259
                4p
                   -1 :               0.00009929502524
                   +0 :              -0.00012491038454
                   +1 :               0.00002184838155
                3d
                   -2 :               0.00020992010558
                   -1 :               0.00001561670661
                   +0 :              -0.00039417827877
                   +1 :              -0.00012706971538
                   +2 :              -0.00021096935372
              6 vec=    -7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00040619668375
                2p
                   -1 :               0.00002135264774
                   +0 :               0.00000505761906
                   +1 :              -0.00024372542148
                3s
                   +0 :              -0.00142220747355
                4s
                   +0 :               0.00012448754389
                3p
                   -1 :              -0.00019686729895
                   +0 :               0.00010974525272
                   +1 :               0.00109822188269
                4p
                   -1 :              -0.00015647238527
                   +0 :              -0.00003173886801
                   +1 :              -0.00017683317811
                3d
                   -2 :               0.00034834269614
                   -1 :               0.00003581786692
                   +0 :               0.00011635029054
                   +1 :               0.00001121810210
                   +2 :              -0.00008039261460
              7 vec=     0.000000     -8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00008827070745
                2p
                   -1 :              -0.00001009299950
                   +0 :              -0.00002688622314
                   +1 :               0.00000972233559
                3s
                   +0 :              -0.00025095036293
                4s
                   +0 :               0.00008247794472
                3p
                   -1 :               0.00008449607375
                   +0 :               0.00016513435941
                   +1 :              -0.00007859851861
                4p
                   -1 :              -0.00003838114825
                   +0 :              -0.00002416640526
                   +1 :               0.00003249506480
                3d
                   -2 :               0.00004172172585
                   -1 :              -0.00002174415962
                   +0 :              -0.00002108739200
                   +1 :               0.00002035193125
                   +2 :               0.00001120242100
              8 vec=     0.000000     -8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00022582886455
                2p
                   -1 :               0.00010718095697
                   +0 :              -0.00001528924984
                   +1 :              -0.00014893368327
                3s
                   +0 :               0.00143563562562
                4s
                   +0 :              -0.00011911115380
                3p
                   -1 :              -0.00105740130901
                   +0 :               0.00021734277654
                   +1 :               0.00040733408385
                4p
                   -1 :               0.00011621356480
                   +0 :              -0.00004584997968
                   +1 :              -0.00036367721832
                3d
                   -2 :               0.00013800160605
                   -1 :              -0.00009389412203
                   +0 :              -0.00006121434996
                   +1 :              -0.00004448866356
                   +2 :              -0.00040673364845
              9 vec=     0.000000      8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00009144604439
                2p
                   -1 :              -0.00008534102784
                   +0 :               0.00004451642331
                   +1 :               0.00003168048672
                3s
                   +0 :               0.00063312103634
                4s
                   +0 :              -0.00021401261730
                3p
                   -1 :               0.00062610639902
                   +0 :              -0.00047547790538
                   +1 :              -0.00005660724788
                4p
                   -1 :              -0.00017969225595
                   +0 :               0.00008966245257
                   +1 :               0.00005174592994
                3d
                   -2 :              -0.00014296332169
                   -1 :              -0.00012088091329
                   +0 :               0.00000525707062
                   +1 :               0.00009624492134
                   +2 :              -0.00005133958756
             10 vec=     0.000000      8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00009097166506
                2p
                   -1 :              -0.00002333762807
                   +0 :               0.00001966391341
                   +1 :              -0.00000206050868
                3s
                   +0 :              -0.00042949954747
                4s
                   +0 :               0.00006574154755
                3p
                   -1 :               0.00002266645951
                   +0 :              -0.00014883152387
                   +1 :              -0.00004002128828
                4p
                   -1 :               0.00001667225215
                   +0 :               0.00006038191303
                   +1 :              -0.00001248644089
                3d
                   -2 :              -0.00004279773687
                   -1 :               0.00002959441828
                   +0 :               0.00002390901840
                   +1 :              -0.00002125207270
                   +2 :              -0.00010028097209
             11 vec=     7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00031613406351
                2p
                   -1 :               0.00014204296313
                   +0 :               0.00014488377171
                   +1 :              -0.00008290728225
                3s
                   +0 :               0.00058690954127
                4s
                   +0 :              -0.00017592235665
                3p
                   -1 :              -0.00057846968198
                   +0 :              -0.00080422031546
                   +1 :               0.00035675221494
                4p
                   -1 :               0.00011325857354
                   +0 :               0.00018070375199
                   +1 :              -0.00000735431937
                3d
                   -2 :              -0.00010979842387
                   -1 :               0.00014652492361
                   +0 :              -0.00000550321212
                   +1 :              -0.00010427491773
                   +2 :              -0.00007573091997
             12 vec=     7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00056586626925
                2p
                   -1 :               0.00016877760356
                   +0 :              -0.00028705133172
                   +1 :               0.00000214780857
                3s
                   +0 :               0.00337285734780
                4s
                   +0 :              -0.00103425362052
                3p
                   -1 :              -0.00119262220605
                   +0 :               0.00292528718795
                   +1 :               0.00011251292385
                4p
                   -1 :               0.00034784576378
                   +0 :              -0.00083003275002
                   +1 :               0.00004704614280
                3d
                   -2 :              -0.00001085726226
                   -1 :              -0.00014432622016
                   +0 :               0.00068730394493
                   +1 :               0.00016258778797
                   +2 :               0.00014881339663
             13 vec=     7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00027028274167
                2p
                   -1 :               0.00004173808466
                   +0 :               0.00004963839937
                   +1 :              -0.00000334498533
                3s
                   +0 :              -0.00210137576999
                4s
                   +0 :               0.00027052392741
                3p
                   -1 :               0.00010238812260
                   +0 :              -0.00045795497181
                   +1 :              -0.00006316068423
                4p
                   -1 :               0.00002123664033
                   +0 :               0.00014907678980
                   +1 :              -0.00009205934056
                3d
                   -2 :               0.00031822731662
                   -1 :              -0.00013073461755
                   +0 :               0.00041526567077
                   +1 :              -0.00008571435133
                   +2 :               0.00004578060337
             14 vec=     7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00018036781920
                2p
                   -1 :              -0.00001782525101
                   +0 :               0.00001023163078
                   +1 :              -0.00012200005622
                3s
                   +0 :              -0.00001342815206
                4s
                   +0 :              -0.00000537639010
                3p
                   -1 :              -0.00002880791902
                   +0 :              -0.00032708802926
                   +1 :               0.00000753366974
                4p
                   -1 :               0.00014168227513
                   +0 :               0.00007758884769
                   +1 :              -0.00003410223820
                3d
                   -2 :              -0.00003944747451
                   -1 :               0.00001920534667
                   +0 :              -0.00005513594057
                   +1 :              -0.00012896915834
                   +2 :              -0.00006140240405
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Cr(  3)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00076002707951
                   +0 :              -0.00000000000000
                   +1 :               0.00660282309023
                4s
                   +0 :              -0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.02156139499185
                   -1 :              -0.00020194892043
                   +0 :               0.00000000000000
                   +1 :               1.02009067368821
                   +2 :              -0.00292099108431
                4d
                   -2 :              -0.00895100404917
                   -1 :              -0.00034578619658
                   +0 :               0.00000000000000
                   +1 :               0.03200028750098
                   +2 :              -0.00324360473929
                4p
                   -1 :               0.00124347845748
                   +0 :              -0.00000000000000
                   +1 :               0.01553364535236
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00104233697031
                3p
                   -1 :              -0.00037704840350
                   +0 :              -0.00040704733179
                   +1 :              -0.00022707851159
                4s
                   +0 :              -0.00089880983345
                5s
                   +0 :               0.00008982267345
                3d
                   -2 :               0.00037017651336
                   -1 :              -0.00081846571135
                   +0 :              -0.00056996217114
                   +1 :              -0.00010446514147
                   +2 :              -0.00085029069089
                4d
                   -2 :              -0.00028356563520
                   -1 :               0.00062240097157
                   +0 :              -0.00066046482547
                   +1 :               0.00087218243313
                   +2 :              -0.00059350299038
                4p
                   -1 :               0.00027473266862
                   +0 :              -0.00043367155060
                   +1 :               0.00039107618993
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00127060573248
                3p
                   -1 :               0.00082467380859
                   +0 :              -0.00036575960040
                   +1 :               0.00047976312492
                4s
                   +0 :              -0.00725171526023
                5s
                   +0 :               0.00082981969305
                3d
                   -2 :               0.00121436596456
                   -1 :               0.00082220325579
                   +0 :               0.00117490308282
                   +1 :               0.00112992490002
                   +2 :              -0.00083324444250
                4d
                   -2 :               0.00183978314523
                   -1 :              -0.00085408951387
                   +0 :               0.00072503059587
                   +1 :               0.00049316609133
                   +2 :               0.00068274422537
                4p
                   -1 :              -0.00231085164293
                   +0 :              -0.00153126050046
                   +1 :               0.00222449214681
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00019480665891
                3p
                   -1 :               0.00011644498716
                   +0 :               0.00020212988592
                   +1 :               0.00020083216768
                4s
                   +0 :               0.00012522924816
                5s
                   +0 :               0.00011845897080
                3d
                   -2 :               0.00173959349876
                   -1 :              -0.00026596460262
                   +0 :               0.00020375045018
                   +1 :               0.00114589173844
                   +2 :               0.00097458580820
                4d
                   -2 :               0.00019038039096
                   -1 :               0.00054556251862
                   +0 :               0.00000728710809
                   +1 :               0.00032176848232
                   +2 :               0.00053125333428
                4p
                   -1 :               0.00063311349981
                   +0 :              -0.00072759841922
                   +1 :              -0.00111713677821
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00065921628341
                3p
                   -1 :              -0.00003109556693
                   +0 :               0.00010880237988
                   +1 :              -0.00003023754523
                4s
                   +0 :              -0.00181325778757
                5s
                   +0 :              -0.00004314298592
                3d
                   -2 :               0.00125915787918
                   -1 :              -0.00005838666181
                   +0 :               0.00003812475608
                   +1 :               0.00150466432578
                   +2 :               0.00087942681831
                4d
                   -2 :               0.00033289368901
                   -1 :              -0.00016140706432
                   +0 :               0.00016675821302
                   +1 :              -0.00024813919204
                   +2 :              -0.00037692878583
                4p
                   -1 :              -0.00061799357896
                   +0 :              -0.00051807755366
                   +1 :               0.00017681552612
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00170155325372
                3p
                   -1 :              -0.00003360270784
                   +0 :               0.00029824495190
                   +1 :              -0.00042826197340
                4s
                   +0 :               0.00271206762101
                5s
                   +0 :              -0.00004667968753
                3d
                   -2 :              -0.00068331210807
                   -1 :               0.00095512081003
                   +0 :               0.00053183741505
                   +1 :               0.00004185182638
                   +2 :               0.00078444851000
                4d
                   -2 :              -0.00016289473604
                   -1 :              -0.00073973003417
                   +0 :               0.00049370661245
                   +1 :               0.00099081929131
                   +2 :               0.00004865354706
                4p
                   -1 :              -0.00035718563306
                   +0 :               0.00095174910426
                   +1 :               0.00105706946705
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00107579907357
                3p
                   -1 :               0.00071212069275
                   +0 :               0.00016362971449
                   +1 :              -0.00027304650475
                4s
                   +0 :               0.00712648601207
                5s
                   +0 :              -0.00094827866386
                3d
                   -2 :               0.00304260665450
                   -1 :               0.00026429163889
                   +0 :              -0.00137865353300
                   +1 :               0.00019552731026
                   +2 :              -0.00038418970453
                4d
                   -2 :               0.00088388680797
                   -1 :              -0.00000582881408
                   +0 :              -0.00073231770396
                   +1 :               0.00161960150343
                   +2 :               0.00203542346609
                4p
                   -1 :               0.00205506646753
                   +0 :               0.00225885891967
                   +1 :               0.00310322628577
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00000595971108
                3p
                   -1 :               0.00021906090036
                   +0 :              -0.00016137973161
                   +1 :              -0.00000382725749
                4s
                   +0 :              -0.00041498686493
                5s
                   +0 :               0.00002285252585
                3d
                   -2 :              -0.00057240305101
                   -1 :               0.00002791365415
                   +0 :               0.00020478694791
                   +1 :               0.00075656595032
                   +2 :               0.00011554941409
                4d
                   -2 :              -0.00013855856695
                   -1 :              -0.00003045404624
                   +0 :               0.00001053678467
                   +1 :               0.00017399748970
                   +2 :              -0.00002543029124
                4p
                   -1 :               0.00019361648547
                   +0 :              -0.00056663562490
                   +1 :               0.00023881640810
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00017293400816
                3p
                   -1 :              -0.00015974299219
                   +0 :              -0.00005281823408
                   +1 :              -0.00003514801063
                4s
                   +0 :               0.00040986050580
                5s
                   +0 :              -0.00004152499946
                3d
                   -2 :              -0.00005491545570
                   -1 :               0.00064803366442
                   +0 :               0.00029135236587
                   +1 :              -0.00036405486004
                   +2 :              -0.00011326399812
                4d
                   -2 :               0.00001092060620
                   -1 :               0.00011362913825
                   +0 :               0.00010469902262
                   +1 :               0.00007495656686
                   +2 :              -0.00012999293071
                4p
                   -1 :               0.00001538668701
                   +0 :              -0.00036142741210
                   +1 :               0.00006323313549
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00005088944219
                3p
                   -1 :              -0.00015073975028
                   +0 :              -0.00005255485063
                   +1 :              -0.00012883475645
                4s
                   +0 :              -0.00138931401288
                5s
                   +0 :               0.00005389834147
                3d
                   -2 :              -0.00073085180518
                   -1 :              -0.00060580722421
                   +0 :              -0.00010720455359
                   +1 :              -0.00055781268304
                   +2 :               0.00019778371487
                4d
                   -2 :               0.00003999621529
                   -1 :              -0.00021336909568
                   +0 :              -0.00005712352455
                   +1 :              -0.00000007900441
                   +2 :               0.00011695845085
                4p
                   -1 :              -0.00040910504538
                   +0 :              -0.00040961844706
                   +1 :              -0.00016745055048
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00011986977001
                3p
                   -1 :               0.00010150496492
                   +0 :               0.00000557922498
                   +1 :              -0.00007888887212
                4s
                   +0 :              -0.00049255326376
                5s
                   +0 :               0.00001693914193
                3d
                   -2 :              -0.00007332270911
                   -1 :              -0.00057356895751
                   +0 :              -0.00045060253171
                   +1 :              -0.00046695459621
                   +2 :              -0.00003754213393
                4d
                   -2 :              -0.00005385575460
                   -1 :              -0.00008146668228
                   +0 :              -0.00008562515550
                   +1 :              -0.00005084211492
                   +2 :               0.00008375022048
                4p
                   -1 :              -0.00000690910116
                   +0 :               0.00031950062498
                   +1 :               0.00008780091429
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00012582948109
                3p
                   -1 :               0.00022528819776
                   +0 :               0.00015580050663
                   +1 :              -0.00014316449126
                4s
                   +0 :               0.00090754012869
                5s
                   +0 :              -0.00003979166778
                3d
                   -2 :              -0.00045544404974
                   -1 :               0.00078677222366
                   +0 :               0.00024581558380
                   +1 :              -0.00037609354458
                   +2 :              -0.00039321261454
                4d
                   -2 :              -0.00000165406403
                   -1 :               0.00013875644511
                   +0 :               0.00007508837083
                   +1 :               0.00001739944867
                   +2 :              -0.00004419482265
                4p
                   -1 :               0.00022413694616
                   +0 :               0.00024713499992
                   +1 :              -0.00001035159094
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00022382345035
                3p
                   -1 :              -0.00023637647312
                   +0 :               0.00010537308471
                   +1 :              -0.00008978841975
                4s
                   +0 :               0.00097945350708
                5s
                   +0 :              -0.00001237334201
                3d
                   -2 :              -0.00066225885168
                   -1 :              -0.00014668597680
                   +0 :              -0.00018414781228
                   +1 :               0.00062492429032
                   +2 :              -0.00054311819161
                4d
                   -2 :              -0.00018840775918
                   -1 :              -0.00011485268962
                   +0 :              -0.00004757549807
                   +1 :               0.00032062755880
                   +2 :               0.00001866297618
                4p
                   -1 :              -0.00039663711148
                   +0 :               0.00077104585916
                   +1 :               0.00031551191645
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00001377992136
                3p
                   -1 :              -0.00001927977115
                   +0 :              -0.00002495309181
                   +1 :              -0.00000350938930
                4s
                   +0 :               0.00007343558733
                5s
                   +0 :              -0.00000192769021
                3d
                   -2 :              -0.00004729989795
                   -1 :               0.00001765122820
                   +0 :               0.00001023826653
                   +1 :               0.00013193268147
                   +2 :              -0.00010771881147
                4d
                   -2 :              -0.00003939065928
                   -1 :               0.00000581140785
                   +0 :               0.00003193900838
                   +1 :              -0.00001533841495
                   +2 :              -0.00000784323428
                4p
                   -1 :               0.00003670905878
                   +0 :              -0.00009012689678
                   +1 :               0.00003953440254
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00008428228942
                3p
                   -1 :               0.00004526039298
                   +0 :              -0.00012357825638
                   +1 :               0.00005962202928
                4s
                   +0 :              -0.00065904062228
                5s
                   +0 :               0.00002048634026
                3d
                   -2 :              -0.00024699445394
                   -1 :               0.00001851953851
                   +0 :              -0.00003537666239
                   +1 :               0.00029863419182
                   +2 :              -0.00007373410320
                4d
                   -2 :               0.00005762826167
                   -1 :               0.00002950508358
                   +0 :              -0.00002349058926
                   +1 :              -0.00007062496838
                   +2 :               0.00005325073465
                4p
                   -1 :              -0.00009405674748
                   +0 :              -0.00000044356860
                   +1 :               0.00005509005473
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00000802664927
                3p
                   -1 :               0.00000157407106
                   +0 :               0.00002393908175
                   +1 :               0.00006459387000
                4s
                   +0 :               0.00000798113102
                5s
                   +0 :              -0.00000900949672
                3d
                   -2 :              -0.00006002594618
                   -1 :              -0.00003924537793
                   +0 :              -0.00001773516101
                   +1 :               0.00010663026301
                   +2 :               0.00002162540978
                4d
                   -2 :               0.00003117140323
                   -1 :               0.00001368976883
                   +0 :               0.00000962884123
                   +1 :               0.00000597277657
                   +2 :              -0.00001435635241
                4p
                   -1 :              -0.00000546705056
                   +0 :              -0.00004816674180
                   +1 :              -0.00002724524046
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00009418356597
                3p
                   -1 :              -0.00008994368387
                   +0 :              -0.00003503111661
                   +1 :              -0.00002724500292
                4s
                   +0 :               0.00004032567104
                5s
                   +0 :              -0.00000518532457
                3d
                   -2 :               0.00016640279168
                   -1 :              -0.00013764979967
                   +0 :              -0.00002659098106
                   +1 :               0.00010282574562
                   +2 :               0.00010895623232
                4d
                   -2 :               0.00001554398952
                   -1 :               0.00002640983038
                   +0 :              -0.00002353407514
                   +1 :               0.00004861559743
                   +2 :              -0.00004596355566
                4p
                   -1 :               0.00008599474249
                   +0 :               0.00001538190085
                   +1 :               0.00009041300726
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00008040364461
                3p
                   -1 :              -0.00007516737187
                   +0 :               0.00005998420842
                   +1 :               0.00004581954744
                4s
                   +0 :              -0.00011376125837
                5s
                   +0 :               0.00000711301478
                3d
                   -2 :              -0.00012809464542
                   -1 :              -0.00008520663161
                   +0 :               0.00001635271453
                   +1 :               0.00025187384892
                   +2 :               0.00018569066851
                4d
                   -2 :               0.00002108983184
                   -1 :               0.00007149641851
                   +0 :              -0.00000840493324
                   +1 :              -0.00000120016595
                   +2 :               0.00002067140644
                4p
                   -1 :               0.00010541406483
                   +0 :               0.00007474499593
                   +1 :               0.00002229105077
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00009230893869
                3p
                   -1 :               0.00001911149165
                   +0 :               0.00009963917463
                   +1 :               0.00002427448506
                4s
                   +0 :               0.00065105949126
                5s
                   +0 :              -0.00001147684354
                3d
                   -2 :              -0.00007092643933
                   -1 :               0.00015591736026
                   +0 :               0.00005311182340
                   +1 :               0.00015260634233
                   +2 :              -0.00018797382414
                4d
                   -2 :              -0.00001414962243
                   -1 :              -0.00004473816681
                   +0 :               0.00001386174803
                   +1 :              -0.00004602256025
                   +2 :               0.00004235950263
                4p
                   -1 :               0.00002154255824
                   +0 :               0.00004861031040
                   +1 :               0.00009064333518
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al(  4)  npairs=  14
              1 vec=     0.000000      0.000000     -7.252326   |vec|=    7.252326
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00048774554934
                   +0 :              -0.00000000000000
                   +1 :               0.00122303608285
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00403176768411
                   +0 :               0.00000000000000
                   +1 :              -0.00830467259031
                4p
                   -1 :               0.00140625200446
                   +0 :              -0.00000000000000
                   +1 :               0.00200678196772
                3d
                   -2 :               0.00056511298788
                   -1 :              -0.00005532958734
                   +0 :              -0.00000000000000
                   +1 :               0.00214895086755
                   +2 :               0.00102223295530
              2 vec=    -7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00011048929139
                2p
                   -1 :              -0.00006205956067
                   +0 :              -0.00012377815160
                   +1 :              -0.00016937318565
                3s
                   +0 :               0.00086232466263
                4s
                   +0 :               0.00012613688978
                3p
                   -1 :               0.00039265613752
                   +0 :               0.00045526638626
                   +1 :               0.00112989608992
                4p
                   -1 :              -0.00027379853358
                   +0 :              -0.00022658465959
                   +1 :              -0.00034482576210
                3d
                   -2 :              -0.00025927416510
                   -1 :               0.00001846116895
                   +0 :              -0.00004893048666
                   +1 :              -0.00008827721520
                   +2 :              -0.00012935491165
              3 vec=    -7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00035368701759
                2p
                   -1 :              -0.00024085572658
                   +0 :              -0.00023058053420
                   +1 :              -0.00025269484663
                3s
                   +0 :               0.00718759765178
                4s
                   +0 :              -0.00010118764801
                3p
                   -1 :               0.00319670644943
                   +0 :               0.00208864215819
                   +1 :              -0.00087120664671
                4p
                   -1 :              -0.00011715236800
                   +0 :               0.00000527224471
                   +1 :              -0.00054368684926
                3d
                   -2 :              -0.00126471803845
                   -1 :               0.00029664509640
                   +0 :              -0.00121712614980
                   +1 :              -0.00142291929430
                   +2 :              -0.00032940798682
              4 vec=     0.000000     -8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00015836643048
                2p
                   -1 :               0.00002387587429
                   +0 :               0.00009185632654
                   +1 :              -0.00002304867387
                3s
                   +0 :               0.00128723601325
                4s
                   +0 :              -0.00017800280882
                3p
                   -1 :              -0.00096489474707
                   +0 :              -0.00053026094332
                   +1 :               0.00045360154047
                4p
                   -1 :               0.00006791567572
                   +0 :               0.00022522296911
                   +1 :              -0.00006438365396
                3d
                   -2 :              -0.00018840054415
                   -1 :               0.00000767608191
                   +0 :              -0.00013190523299
                   +1 :              -0.00012635275100
                   +2 :              -0.00028833089520
              5 vec=     0.000000      8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00018030421613
                2p
                   -1 :              -0.00019605828496
                   +0 :               0.00009259461220
                   +1 :               0.00004615997301
                3s
                   +0 :               0.00082780990753
                4s
                   +0 :              -0.00015254929029
                3p
                   -1 :               0.00142605448886
                   +0 :              -0.00043092377959
                   +1 :               0.00081870126158
                4p
                   -1 :              -0.00031389451016
                   +0 :               0.00021779145343
                   +1 :              -0.00002450903517
                3d
                   -2 :              -0.00018560808997
                   -1 :              -0.00012323420951
                   +0 :              -0.00013922679455
                   +1 :              -0.00006309764997
                   +2 :              -0.00033162355630
              6 vec=     7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00029079350752
                2p
                   -1 :               0.00005759826794
                   +0 :               0.00003118353940
                   +1 :               0.00005443969298
                3s
                   +0 :              -0.00169013457016
                4s
                   +0 :               0.00002641240051
                3p
                   -1 :               0.00063985268632
                   +0 :              -0.00002434260667
                   +1 :               0.00007934945127
                4p
                   -1 :              -0.00001644409909
                   +0 :               0.00000879320616
                   +1 :              -0.00014994326433
                3d
                   -2 :              -0.00004727134288
                   -1 :              -0.00003058037713
                   +0 :               0.00018815728120
                   +1 :               0.00004702436476
                   +2 :              -0.00016669254151
              7 vec=     7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00051205344808
                2p
                   -1 :              -0.00030736934564
                   +0 :               0.00013872420766
                   +1 :               0.00009139253129
                3s
                   +0 :              -0.00847483366503
                4s
                   +0 :               0.00027919045683
                3p
                   -1 :              -0.00003141169406
                   +0 :              -0.00155838121487
                   +1 :              -0.00381285490971
                4p
                   -1 :              -0.00043970708938
                   +0 :              -0.00023049521382
                   +1 :              -0.00014376162432
                3d
                   -2 :              -0.00069098548644
                   -1 :              -0.00097069897503
                   +0 :               0.00134903138279
                   +1 :              -0.00102489053010
                   +2 :              -0.00124098773361
              8 vec=   -15.560325     -0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00021379094399
                2p
                   -1 :              -0.00002664577519
                   +0 :               0.00003055604228
                   +1 :               0.00004296456651
                3s
                   +0 :               0.00129927592472
                4s
                   +0 :              -0.00021364873868
                3p
                   -1 :              -0.00011349252536
                   +0 :              -0.00009657869493
                   +1 :              -0.00020287880445
                4p
                   -1 :              -0.00003654169708
                   +0 :               0.00007799909157
                   +1 :               0.00003091719983
                3d
                   -2 :              -0.00000261468386
                   -1 :              -0.00009393847062
                   +0 :               0.00009510767841
                   +1 :              -0.00000946695478
                   +2 :              -0.00002038387298
              9 vec=    -7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00005126569480
                2p
                   -1 :               0.00003435546088
                   +0 :              -0.00000167605351
                   +1 :               0.00005590842633
                3s
                   +0 :              -0.00004947810041
                4s
                   +0 :              -0.00001531175990
                3p
                   -1 :              -0.00002527529488
                   +0 :               0.00008819808443
                   +1 :              -0.00027692599455
                4p
                   -1 :               0.00002030505949
                   +0 :              -0.00001719431532
                   +1 :               0.00007228792053
                3d
                   -2 :               0.00002483220140
                   -1 :              -0.00001629322068
                   +0 :               0.00000005449811
                   +1 :               0.00002286118855
                   +2 :               0.00000564928262
             10 vec=    -7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00019490797020
                2p
                   -1 :               0.00005659113389
                   +0 :               0.00000457702197
                   +1 :               0.00004203808285
                3s
                   +0 :               0.00181890008797
                4s
                   +0 :              -0.00025036497001
                3p
                   -1 :              -0.00015175132462
                   +0 :              -0.00021322582829
                   +1 :              -0.00049757309603
                4p
                   -1 :               0.00011277436082
                   +0 :               0.00007661060429
                   +1 :               0.00005271903380
                3d
                   -2 :               0.00007426048720
                   -1 :               0.00008560655645
                   +0 :               0.00004653243809
                   +1 :               0.00012858290714
                   +2 :               0.00018270172849
             11 vec=     7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00001216581864
                2p
                   -1 :              -0.00002623038567
                   +0 :              -0.00000986927569
                   +1 :              -0.00002106915266
                3s
                   +0 :               0.00025808278840
                4s
                   +0 :              -0.00003758456932
                3p
                   -1 :              -0.00006578174437
                   +0 :              -0.00005244613295
                   +1 :               0.00009098223469
                4p
                   -1 :              -0.00000083397490
                   +0 :               0.00001981334117
                   +1 :              -0.00003191154825
                3d
                   -2 :               0.00002891276749
                   -1 :               0.00002992513839
                   +0 :              -0.00000306286270
                   +1 :               0.00003407510344
                   +2 :              -0.00001101632749
             12 vec=     7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00020162512535
                2p
                   -1 :               0.00002901674707
                   +0 :              -0.00002068676658
                   +1 :               0.00001130744480
                3s
                   +0 :              -0.00155735871312
                4s
                   +0 :               0.00025123330800
                3p
                   -1 :              -0.00034412825994
                   +0 :               0.00014902482788
                   +1 :              -0.00001462953650
                4p
                   -1 :               0.00003572345593
                   +0 :              -0.00009781243274
                   +1 :               0.00003042662031
                3d
                   -2 :               0.00002126157418
                   -1 :              -0.00006971519466
                   +0 :              -0.00009204481572
                   +1 :               0.00011957310634
                   +2 :              -0.00004300367402
             13 vec=    15.560325      0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00024617366500
                2p
                   -1 :               0.00003346122757
                   +0 :              -0.00000290096846
                   +1 :               0.00002971659688
                3s
                   +0 :              -0.00176942198756
                4s
                   +0 :               0.00026567672991
                3p
                   -1 :              -0.00027959930490
                   +0 :               0.00012502774386
                   +1 :              -0.00027771809056
                4p
                   -1 :               0.00004959255712
                   +0 :              -0.00005941628897
                   +1 :              -0.00001757728686
                3d
                   -2 :              -0.00010378557162
                   -1 :               0.00012621436192
                   +0 :              -0.00004658693620
                   +1 :              -0.00001252574779
                   +2 :               0.00013698165673
             14 vec=     0.000000      0.000000     17.295216   |vec|=   17.295216
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00007387761576
                   +0 :              -0.00000000000000
                   +1 :              -0.00002920703114
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00041706562267
                   +0 :              -0.00000000000000
                   +1 :               0.00024013305134
                4p
                   -1 :               0.00010378128898
                   +0 :              -0.00000000000000
                   +1 :              -0.00001897823363
                3d
                   -2 :              -0.00001553339573
                   -1 :              -0.00003297611855
                   +0 :               0.00000000000000
                   +1 :               0.00007913224284
                   +2 :               0.00002365708794
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al(  5)  npairs=  18
              1 vec=    -2.593388     -4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :              -0.00019039494769
                2p
                   -1 :               0.00006377065524
                   +0 :               0.00001098832928
                   +1 :               0.00022009904374
                3s
                   +0 :               0.00038859182923
                4s
                   +0 :               0.00005150820674
                3p
                   -1 :              -0.00000200259840
                   +0 :               0.00050322299907
                   +1 :              -0.00067887014293
                4p
                   -1 :              -0.00019454100207
                   +0 :              -0.00023476369501
                   +1 :               0.00010030692136
                3d
                   -2 :               0.00009131204831
                   -1 :              -0.00008450237970
                   +0 :              -0.00016025921976
                   +1 :              -0.00015482431900
                   +2 :               0.00003731448732
              2 vec=    -2.593388      4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :              -0.00032573730564
                2p
                   -1 :              -0.00011485079546
                   +0 :               0.00016593827147
                   +1 :              -0.00016357677449
                3s
                   +0 :               0.00225515386114
                4s
                   +0 :              -0.00074391090091
                3p
                   -1 :               0.00037953603338
                   +0 :              -0.00163949665532
                   +1 :               0.00133633990169
                4p
                   -1 :              -0.00012734167364
                   +0 :               0.00053704235141
                   +1 :              -0.00028018078169
                3d
                   -2 :               0.00003328918530
                   -1 :              -0.00029945793449
                   +0 :               0.00028758067830
                   +1 :              -0.00011679829277
                   +2 :               0.00004899826320
              3 vec=     5.186775      0.000000    -11.343665   |vec|=   12.473226
                2s
                   +0 :               0.00051613225333
                2p
                   -1 :              -0.00035781307551
                   +0 :              -0.00017692660075
                   +1 :               0.00018295184860
                3s
                   +0 :              -0.00264374569037
                4s
                   +0 :               0.00069240269417
                3p
                   -1 :               0.00193398981009
                   +0 :               0.00113627365625
                   +1 :              -0.00000168726827
                4p
                   -1 :              -0.00049045335452
                   +0 :              -0.00030227865640
                   +1 :              -0.00014813325570
                3d
                   -2 :               0.00005218217008
                   -1 :              -0.00015904865238
                   +0 :              -0.00012732145854
                   +1 :               0.00005034566525
                   +2 :              -0.00000709289811
              4 vec=    -2.593388     -4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :              -0.00002487228377
                2p
                   -1 :               0.00001674064684
                   +0 :              -0.00003962479469
                   +1 :               0.00014092517554
                3s
                   +0 :              -0.00090490946756
                4s
                   +0 :               0.00030502924538
                3p
                   -1 :              -0.00138010952487
                   +0 :              -0.00023136193310
                   +1 :              -0.00077898695990
                4p
                   -1 :               0.00020083449300
                   +0 :               0.00003308451698
                   +1 :              -0.00002377161666
                3d
                   -2 :              -0.00053848068936
                   -1 :              -0.00025504377905
                   +0 :              -0.00019584683819
                   +1 :               0.00003682624491
                   +2 :               0.00000816245942
              5 vec=    -2.593388      4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :               0.00015519436166
                2p
                   -1 :               0.00002129716032
                   +0 :               0.00005551295627
                   +1 :               0.00012161509844
                3s
                   +0 :               0.00000868800001
                4s
                   +0 :               0.00008425480632
                3p
                   -1 :               0.00006588892343
                   +0 :               0.00010473223697
                   +1 :              -0.00056472273677
                4p
                   -1 :              -0.00005103873751
                   +0 :               0.00009449558402
                   +1 :               0.00009598555775
                3d
                   -2 :              -0.00001208761584
                   -1 :               0.00010999070984
                   +0 :               0.00011428343867
                   +1 :              -0.00003878898530
                   +2 :              -0.00019724215449
              6 vec=     5.186775      0.000000     13.203878   |vec|=   14.186085
                2s
                   +0 :              -0.00013032207789
                2p
                   -1 :               0.00000229588626
                   +0 :              -0.00001588816158
                   +1 :               0.00012732408056
                3s
                   +0 :               0.00089622146755
                4s
                   +0 :              -0.00038928405170
                3p
                   -1 :              -0.00047155204036
                   +0 :               0.00012662969613
                   +1 :              -0.00192412623840
                4p
                   -1 :               0.00017861063307
                   +0 :              -0.00012758010099
                   +1 :               0.00025423558670
                3d
                   -2 :              -0.00009739853890
                   -1 :              -0.00013801124488
                   +0 :               0.00008156339952
                   +1 :              -0.00031711051083
                   +2 :               0.00036132992651
              7 vec=   -10.373550     -0.000000    -11.343665   |vec|=   15.371704
                2s
                   +0 :              -0.00018265680293
                2p
                   -1 :               0.00001923701001
                   +0 :               0.00000511292161
                   +1 :              -0.00005156200254
                3s
                   +0 :               0.00392718436028
                4s
                   +0 :              -0.00028833799311
                3p
                   -1 :              -0.00130907171654
                   +0 :              -0.00062821667603
                   +1 :              -0.00123643317069
                4p
                   -1 :               0.00004956506054
                   +0 :               0.00018776433964
                   +1 :               0.00000595209685
                3d
                   -2 :               0.00036903769829
                   -1 :               0.00015238833818
                   +0 :              -0.00018907814212
                   +1 :               0.00001562090580
                   +2 :               0.00001436430313
              8 vec=     5.186775     -8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :               0.00006709467107
                2p
                   -1 :               0.00002759287748
                   +0 :               0.00000481818812
                   +1 :               0.00004740413239
                3s
                   +0 :              -0.00009628896542
                4s
                   +0 :               0.00004660988976
                3p
                   -1 :              -0.00014376732327
                   +0 :              -0.00009600206232
                   +1 :               0.00003156512884
                4p
                   -1 :               0.00005163858925
                   +0 :               0.00001855843446
                   +1 :               0.00004707532022
                3d
                   -2 :              -0.00001511814751
                   -1 :               0.00005556567882
                   +0 :              -0.00002569544923
                   +1 :               0.00000235017022
                   +2 :              -0.00000546442310
              9 vec=     5.186775      8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :               0.00011556213185
                2p
                   -1 :              -0.00006229224322
                   +0 :              -0.00000993110973
                   +1 :               0.00000515745842
                3s
                   +0 :              -0.00383089539486
                4s
                   +0 :               0.00024172810335
                3p
                   -1 :              -0.00182453825926
                   +0 :               0.00072421873835
                   +1 :               0.00040674918679
                4p
                   -1 :               0.00001498806878
                   +0 :              -0.00020632277410
                   +1 :               0.00002830943707
                3d
                   -2 :               0.00015978759475
                   -1 :               0.00011546980264
                   +0 :               0.00021477359135
                   +1 :              -0.00007486534466
                   +2 :               0.00033713866149
             10 vec=   -10.373550     -0.000000     13.203878   |vec|=   16.791454
                2s
                   +0 :               0.00053073856695
                2p
                   -1 :              -0.00014824092761
                   +0 :               0.00004728054579
                   +1 :              -0.00011474245852
                3s
                   +0 :              -0.00484379487323
                4s
                   +0 :               0.00075608355405
                3p
                   -1 :               0.00006648539399
                   +0 :              -0.00162596141585
                   +1 :               0.00207070562829
                4p
                   -1 :              -0.00017313006820
                   +0 :               0.00012002105026
                   +1 :              -0.00029324608267
                3d
                   -2 :               0.00017483611505
                   -1 :              -0.00009670531588
                   +0 :              -0.00015812498759
                   +1 :               0.00047496090280
                   +2 :              -0.00037589220273
             11 vec=     5.186775     -8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :              -0.00066465109235
                2p
                   -1 :               0.00012744017619
                   +0 :              -0.00010332744516
                   +1 :              -0.00016574553967
                3s
                   +0 :               0.00526072826877
                4s
                   +0 :              -0.00091519540915
                3p
                   -1 :              -0.00212083660285
                   +0 :               0.00187487274165
                   +1 :               0.00106106277692
                4p
                   -1 :               0.00025223823913
                   +0 :              -0.00019769494453
                   +1 :              -0.00030007566579
                3d
                   -2 :              -0.00022634785505
                   -1 :              -0.00050888762226
                   +0 :               0.00014355041401
                   +1 :               0.00018438785125
                   +2 :              -0.00034263265478
             12 vec=     5.186775      8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :               0.00013391252540
                2p
                   -1 :               0.00003376958824
                   +0 :               0.00005604689937
                   +1 :               0.00009850284014
                3s
                   +0 :              -0.00041693339554
                4s
                   +0 :               0.00015911185510
                3p
                   -1 :              -0.00015279924639
                   +0 :              -0.00024891132580
                   +1 :              -0.00032839221291
                4p
                   -1 :               0.00004546867794
                   +0 :               0.00007767389427
                   +1 :               0.00007171888588
                3d
                   -2 :               0.00000304774344
                   -1 :              -0.00005115282477
                   +0 :               0.00001457457358
                   +1 :              -0.00002728597129
                   +2 :              -0.00001182691906
             13 vec=   -10.373550     -8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00002409605675
                2p
                   -1 :              -0.00001812711439
                   +0 :               0.00004023358549
                   +1 :              -0.00002813388534
                3s
                   +0 :               0.00031963162903
                4s
                   +0 :              -0.00004253757043
                3p
                   -1 :              -0.00004177923595
                   +0 :              -0.00026928459198
                   +1 :               0.00009825699868
                4p
                   -1 :               0.00000352979491
                   +0 :               0.00009147662895
                   +1 :              -0.00003351034742
                3d
                   -2 :              -0.00003149332450
                   -1 :               0.00001963860021
                   +0 :               0.00004329896691
                   +1 :               0.00004164322650
                   +2 :              -0.00003899843697
             14 vec=   -10.373550      8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00009467873103
                2p
                   -1 :               0.00002526787550
                   +0 :               0.00003130451762
                   +1 :               0.00002839447193
                3s
                   +0 :               0.00119739060633
                4s
                   +0 :              -0.00019610287512
                3p
                   -1 :               0.00017001673616
                   +0 :              -0.00048518303529
                   +1 :              -0.00019619950358
                4p
                   -1 :               0.00001285608531
                   +0 :               0.00017177256037
                   +1 :               0.00005278327970
                3d
                   -2 :              -0.00003239931847
                   -1 :               0.00000898421915
                   +0 :               0.00003554951592
                   +1 :               0.00005161469367
                   +2 :               0.00003785166113
             15 vec=    -2.593388    -13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00000890657533
                2p
                   -1 :              -0.00002052715030
                   +0 :               0.00000343217925
                   +1 :               0.00001453272201
                3s
                   +0 :              -0.00000441338657
                4s
                   +0 :              -0.00000099540718
                3p
                   -1 :               0.00008270812104
                   +0 :              -0.00005311600085
                   +1 :              -0.00009747652598
                4p
                   -1 :              -0.00001563139014
                   +0 :               0.00001419882550
                   +1 :               0.00000376403821
                3d
                   -2 :               0.00003136520975
                   -1 :              -0.00000386907995
                   +0 :               0.00001060737000
                   +1 :               0.00000046312558
                   +2 :               0.00000984274257
             16 vec=    -2.593388     13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00001869898864
                2p
                   -1 :              -0.00000624625912
                   +0 :              -0.00001002725288
                   +1 :              -0.00000534799568
                3s
                   +0 :               0.00034837751915
                4s
                   +0 :              -0.00003714804385
                3p
                   -1 :               0.00018764369891
                   +0 :              -0.00007726021880
                   +1 :               0.00004692525257
                4p
                   -1 :              -0.00003303004244
                   +0 :               0.00001647001581
                   +1 :              -0.00000967369549
                3d
                   -2 :              -0.00002176720877
                   -1 :               0.00000797376165
                   +0 :              -0.00000217655706
                   +1 :               0.00003550202305
                   +2 :              -0.00005004415294
             17 vec=    12.966938     -4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00000539706811
                2p
                   -1 :               0.00000754647254
                   +0 :              -0.00003020633261
                   +1 :              -0.00002703006299
                3s
                   +0 :              -0.00066800914818
                4s
                   +0 :               0.00007968561429
                3p
                   -1 :               0.00002847763533
                   +0 :               0.00034654481078
                   +1 :              -0.00012609496418
                4p
                   -1 :               0.00000589302234
                   +0 :              -0.00010794664476
                   +1 :               0.00001006972645
                3d
                   -2 :              -0.00001706439600
                   -1 :               0.00000848774273
                   +0 :              -0.00004112240985
                   +1 :               0.00004867467130
                   +2 :              -0.00003609823165
             18 vec=    12.966938      4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00008577215569
                2p
                   -1 :               0.00001437499018
                   +0 :              -0.00003473669688
                   +1 :              -0.00001819605873
                3s
                   +0 :              -0.00119297721977
                4s
                   +0 :               0.00019709828230
                3p
                   -1 :               0.00004086582207
                   +0 :               0.00053829903614
                   +1 :              -0.00022244949344
                4p
                   -1 :               0.00004106425598
                   +0 :              -0.00018597138587
                   +1 :               0.00000360278153
                3d
                   -2 :              -0.00002477348937
                   -1 :               0.00004685612701
                   +0 :              -0.00004615688592
                   +1 :               0.00001490762608
                   +2 :              -0.00003137449945
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al(  6)  npairs=  12
              1 vec=    -2.593388     -4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00058331086681
                2p
                   -1 :               0.00026034762054
                   +0 :               0.00038359218204
                   +1 :               0.00052165839590
                3s
                   +0 :              -0.01051369649334
                4s
                   +0 :              -0.00200372101884
                3p
                   -1 :               0.00169853469310
                   +0 :               0.00492572351940
                   +1 :               0.00030934073788
                4p
                   -1 :               0.00173162498553
                   +0 :               0.00138044780139
                   +1 :               0.00108108862834
                3d
                   -2 :              -0.00035642090332
                   -1 :              -0.00058518169037
                   +0 :              -0.00362622862454
                   +1 :              -0.00063949578008
                   +2 :              -0.00043325380735
              2 vec=    -2.593388      4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00048840416376
                2p
                   -1 :               0.00050717331237
                   +0 :              -0.00007412413647
                   +1 :              -0.00027427022597
                3s
                   +0 :               0.01120955356942
                4s
                   +0 :               0.00355367358106
                3p
                   -1 :              -0.00406371441875
                   +0 :              -0.00640900862952
                   +1 :               0.01336924753164
                4p
                   -1 :               0.00141849751561
                   +0 :              -0.00169582366003
                   +1 :              -0.00020007131232
                3d
                   -2 :               0.00590087747368
                   -1 :              -0.00094228794591
                   +0 :               0.00509688408125
                   +1 :              -0.00667519147323
                   +2 :               0.00414290756303
              3 vec=     5.186775      0.000000     -4.091339   |vec|=    6.606186
                2s
                   +0 :              -0.00107171503057
                2p
                   -1 :              -0.00030553393968
                   +0 :              -0.00030946804557
                   +1 :              -0.00009006323447
                3s
                   +0 :              -0.00069585707609
                4s
                   +0 :              -0.00154995256222
                3p
                   -1 :               0.01012762119163
                   +0 :               0.00148328511012
                   +1 :               0.01182954824856
                4p
                   -1 :               0.00046554419565
                   +0 :               0.00031537585864
                   +1 :               0.00071168500158
                3d
                   -2 :              -0.00119084371339
                   -1 :              -0.00599080061792
                   +0 :              -0.00147065545671
                   +1 :              -0.00334808053751
                   +2 :               0.00727380623138
              4 vec=   -10.373550     -0.000000     -4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00053178725784
                2p
                   -1 :               0.00026715979972
                   +0 :               0.00015380701859
                   +1 :              -0.00008028154777
                3s
                   +0 :               0.00564315884550
                4s
                   +0 :              -0.00071151481896
                3p
                   -1 :              -0.00274668249688
                   +0 :              -0.00281477515801
                   +1 :              -0.00076268035600
                4p
                   -1 :               0.00031581721739
                   +0 :              -0.00013139515582
                   +1 :               0.00007406897650
                3d
                   -2 :               0.00034703665861
                   -1 :               0.00076007789976
                   +0 :               0.00140650582599
                   +1 :               0.00069773592071
                   +2 :               0.00002773731020
              5 vec=     5.186775     -8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00093404074526
                2p
                   -1 :               0.00031176748988
                   +0 :               0.00022900105696
                   +1 :              -0.00000055637313
                3s
                   +0 :               0.00404316272821
                4s
                   +0 :              -0.00077011040089
                3p
                   -1 :              -0.00125451374359
                   +0 :              -0.00199489865403
                   +1 :              -0.00013237369561
                4p
                   -1 :               0.00012238773101
                   +0 :               0.00036119927994
                   +1 :               0.00011887395473
                3d
                   -2 :               0.00030557850769
                   -1 :               0.00008555963433
                   +0 :               0.00031587996410
                   +1 :              -0.00062714964430
                   +2 :               0.00018550350014
              6 vec=     5.186775      8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00146582800310
                2p
                   -1 :               0.00022041961824
                   +0 :              -0.00038280807556
                   +1 :              -0.00000178756757
                3s
                   +0 :              -0.00968632157371
                4s
                   +0 :               0.00148162521986
                3p
                   -1 :              -0.00254645970030
                   +0 :               0.00480967381204
                   +1 :               0.00084472902128
                4p
                   -1 :               0.00018030022484
                   +0 :              -0.00022980412412
                   +1 :              -0.00007104338343
                3d
                   -2 :               0.00046293711150
                   -1 :               0.00157020332345
                   +0 :              -0.00172238579009
                   +1 :              -0.00054885681497
                   +2 :               0.00014252421706
              7 vec=   -10.373550     -8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00059075794745
                2p
                   -1 :              -0.00011520797808
                   +0 :              -0.00014190387890
                   +1 :              -0.00013332995116
                3s
                   +0 :              -0.00258313957681
                4s
                   +0 :               0.00072408271196
                3p
                   -1 :               0.00067341033653
                   +0 :               0.00113192426657
                   +1 :               0.00101215511408
                4p
                   -1 :              -0.00015758142110
                   +0 :              -0.00026965987964
                   +1 :              -0.00016603098198
                3d
                   -2 :              -0.00017353809338
                   -1 :              -0.00016695214599
                   +0 :               0.00003655400390
                   +1 :              -0.00017550067137
                   +2 :               0.00000511689433
              8 vec=   -10.373550      8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00016334164022
                2p
                   -1 :               0.00013801083108
                   +0 :              -0.00010230801646
                   +1 :               0.00017543465171
                3s
                   +0 :               0.00158863867937
                4s
                   +0 :              -0.00027982862323
                3p
                   -1 :              -0.00118700096118
                   +0 :               0.00057651462451
                   +1 :              -0.00117924599416
                4p
                   -1 :               0.00016030522964
                   +0 :              -0.00021183321348
                   +1 :               0.00022267873744
                3d
                   -2 :              -0.00007515964300
                   -1 :               0.00013285595132
                   +0 :               0.00003303124851
                   +1 :               0.00022135509509
                   +2 :               0.00012067298749
              9 vec=    -2.593388    -13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00024763657599
                2p
                   -1 :              -0.00002558680185
                   +0 :              -0.00003589725008
                   +1 :               0.00002993040322
                3s
                   +0 :              -0.00116771594637
                4s
                   +0 :               0.00012606253419
                3p
                   -1 :               0.00007329750831
                   +0 :               0.00050817237301
                   +1 :              -0.00000863603691
                4p
                   -1 :               0.00003004864947
                   +0 :              -0.00000674277959
                   +1 :              -0.00001039682225
                3d
                   -2 :              -0.00002244172607
                   -1 :              -0.00008573632197
                   +0 :              -0.00002658615970
                   +1 :               0.00003488706823
                   +2 :              -0.00008120517673
             10 vec=    -2.593388     13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00026673229037
                2p
                   -1 :              -0.00010113697652
                   +0 :              -0.00008219746126
                   +1 :               0.00001165212054
                3s
                   +0 :               0.00198124345377
                4s
                   +0 :              -0.00030323912241
                3p
                   -1 :               0.00111456973410
                   +0 :              -0.00011097686462
                   +1 :              -0.00006956785035
                4p
                   -1 :              -0.00021838481752
                   +0 :              -0.00015676922626
                   +1 :              -0.00003424125618
                3d
                   -2 :              -0.00017770493864
                   -1 :              -0.00016836979276
                   +0 :               0.00006432744580
                   +1 :               0.00026138633339
                   +2 :              -0.00018638390081
             11 vec=    12.966938     -4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00032402565708
                2p
                   -1 :               0.00001738567989
                   +0 :               0.00022410134017
                   +1 :              -0.00007302476012
                3s
                   +0 :               0.00060189612304
                4s
                   +0 :              -0.00042084358955
                3p
                   -1 :              -0.00004280953174
                   +0 :              -0.00102094740194
                   +1 :               0.00008923838645
                4p
                   -1 :              -0.00007384986880
                   +0 :               0.00042642910590
                   +1 :              -0.00004747883314
                3d
                   -2 :              -0.00000977696258
                   -1 :               0.00021069427533
                   +0 :              -0.00010088144970
                   +1 :               0.00004417054913
                   +2 :              -0.00009424209708
             12 vec=    12.966938      4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00008429493577
                2p
                   -1 :               0.00018222239016
                   +0 :               0.00013820526654
                   +1 :              -0.00003899717865
                3s
                   +0 :              -0.00042092273300
                4s
                   +0 :               0.00015376608905
                3p
                   -1 :              -0.00157062968733
                   +0 :              -0.00108468699752
                   +1 :               0.00049750947540
                4p
                   -1 :               0.00029702629524
                   +0 :               0.00021857599307
                   +1 :              -0.00000666454984
                3d
                   -2 :              -0.00022363230321
                   -1 :               0.00018504586293
                   +0 :              -0.00000644508880
                   +1 :              -0.00006118538007
                   +2 :              -0.00002592114991
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al(  7)  npairs=  15
              1 vec=    -2.593388     -4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00135495049044
                2p
                   -1 :              -0.00048202445876
                   +0 :               0.00089678207512
                   +1 :              -0.00077311336322
                3s
                   +0 :              -0.00365186184587
                4s
                   +0 :               0.00367794727367
                3p
                   -1 :               0.00196175439322
                   +0 :              -0.00896182369722
                   +1 :              -0.00496306428617
                4p
                   -1 :              -0.00143876273157
                   +0 :               0.00321686125182
                   +1 :              -0.00022351103242
                3d
                   -2 :               0.00129534575892
                   -1 :               0.00018079403106
                   +0 :              -0.00268135018730
                   +1 :               0.00100598354791
                   +2 :               0.00002554887324
              2 vec=    -2.593388      4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00067791689934
                2p
                   -1 :              -0.00032948427288
                   +0 :               0.00007500782030
                   +1 :              -0.00011005756744
                3s
                   +0 :              -0.00378374234820
                4s
                   +0 :              -0.00092934891978
                3p
                   -1 :              -0.00201495952242
                   +0 :              -0.00042654037277
                   +1 :               0.00114602865673
                4p
                   -1 :              -0.00010596288919
                   +0 :              -0.00039372057533
                   +1 :              -0.00018822982180
                3d
                   -2 :               0.00023395161085
                   -1 :              -0.00107217223380
                   +0 :               0.00080497762740
                   +1 :               0.00012156892589
                   +2 :               0.00037413024399
              3 vec=     5.186775      0.000000      8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00067703359110
                2p
                   -1 :               0.00016846879746
                   +0 :              -0.00097178989542
                   +1 :              -0.00057368914140
                3s
                   +0 :               0.00743560419407
                4s
                   +0 :              -0.00274859835389
                3p
                   -1 :               0.00526402711804
                   +0 :               0.00938836406999
                   +1 :               0.00153541745981
                4p
                   -1 :              -0.00074180838571
                   +0 :              -0.00282314067649
                   +1 :              -0.00136010894877
                3d
                   -2 :               0.00046276836252
                   -1 :              -0.00121161463151
                   +0 :               0.00187637255990
                   +1 :               0.00164887685236
                   +2 :              -0.00071935473705
              4 vec=   -10.373550     -0.000000      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00025250940310
                2p
                   -1 :              -0.00012587089009
                   +0 :              -0.00001874183353
                   +1 :               0.00011985818167
                3s
                   +0 :              -0.00114183709110
                4s
                   +0 :              -0.00009446076876
                3p
                   -1 :               0.00061772226214
                   +0 :              -0.00036388519498
                   +1 :              -0.00087822900195
                4p
                   -1 :              -0.00014159613645
                   +0 :               0.00021485890058
                   +1 :               0.00057715165862
                3d
                   -2 :               0.00009377040943
                   -1 :              -0.00000072431896
                   +0 :              -0.00007116032915
                   +1 :              -0.00011599355731
                   +2 :               0.00027852478068
              5 vec=     5.186775     -8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00045358009407
                2p
                   -1 :              -0.00007039814252
                   +0 :              -0.00005277726224
                   +1 :              -0.00016698997400
                3s
                   +0 :               0.00282494252731
                4s
                   +0 :              -0.00029109320254
                3p
                   -1 :              -0.00015139484902
                   +0 :               0.00066110166885
                   +1 :               0.00118580478557
                4p
                   -1 :              -0.00026892001378
                   +0 :              -0.00035399638443
                   +1 :              -0.00000853068948
                3d
                   -2 :              -0.00007076818818
                   -1 :              -0.00002029847475
                   +0 :              -0.00017339782378
                   +1 :               0.00012598274181
                   +2 :               0.00001610259590
              6 vec=     5.186775      8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00020107069096
                2p
                   -1 :               0.00015028327354
                   +0 :               0.00007151909577
                   +1 :               0.00002447491245
                3s
                   +0 :              -0.00168310543621
                4s
                   +0 :               0.00038555397130
                3p
                   -1 :              -0.00155434198770
                   +0 :              -0.00029721647387
                   +1 :              -0.00051228706494
                4p
                   -1 :               0.00030195771688
                   +0 :               0.00013913748385
                   +1 :               0.00017404477229
                3d
                   -2 :              -0.00021576316791
                   -1 :              -0.00022006901900
                   +0 :               0.00024455815293
                   +1 :              -0.00001195712392
                   +2 :               0.00028980829372
              7 vec=   -10.373550     -8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00005076921274
                2p
                   -1 :               0.00001539183974
                   +0 :              -0.00006936014353
                   +1 :              -0.00001406125308
                3s
                   +0 :              -0.00137446434747
                4s
                   +0 :               0.00014844181037
                3p
                   -1 :              -0.00007292206475
                   +0 :               0.00007539791769
                   +1 :               0.00044370314082
                4p
                   -1 :              -0.00002116915811
                   +0 :              -0.00001879283203
                   +1 :              -0.00005418786882
                3d
                   -2 :               0.00002929008014
                   -1 :              -0.00014640777333
                   +0 :              -0.00002884645128
                   +1 :              -0.00014993371888
                   +2 :              -0.00001282089496
              8 vec=   -10.373550      8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00003472289569
                2p
                   -1 :               0.00004473426132
                   +0 :               0.00003194259186
                   +1 :               0.00001579840363
                3s
                   +0 :               0.00037899232332
                4s
                   +0 :              -0.00000975893640
                3p
                   -1 :              -0.00017303070247
                   +0 :              -0.00000884272762
                   +1 :               0.00004419810246
                4p
                   -1 :               0.00011197011319
                   +0 :              -0.00002870442548
                   +1 :              -0.00002565210075
                3d
                   -2 :               0.00000591250500
                   -1 :              -0.00002039090246
                   +0 :               0.00004044611770
                   +1 :               0.00002946052702
                   +2 :              -0.00000520720692
              9 vec=    -2.593388    -13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00016096537524
                2p
                   -1 :              -0.00004747297323
                   +0 :              -0.00003672606022
                   +1 :               0.00002333361647
                3s
                   +0 :              -0.00094380098805
                4s
                   +0 :               0.00012825410499
                3p
                   -1 :               0.00038233133528
                   +0 :               0.00023020878851
                   +1 :              -0.00034718583450
                4p
                   -1 :              -0.00002225966715
                   +0 :              -0.00003040305503
                   +1 :               0.00004957312790
                3d
                   -2 :              -0.00002012430802
                   -1 :              -0.00003230704636
                   +0 :              -0.00000812056391
                   +1 :              -0.00007440406059
                   +2 :               0.00008982436763
             10 vec=    -2.593388     13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00009863221287
                2p
                   -1 :               0.00005066387977
                   +0 :               0.00004555589196
                   +1 :               0.00004104994554
                3s
                   +0 :               0.00003664329354
                4s
                   +0 :               0.00003760336393
                3p
                   -1 :              -0.00002493871282
                   +0 :              -0.00015318198696
                   +1 :              -0.00021449490490
                4p
                   -1 :               0.00001879705173
                   +0 :               0.00001769753464
                   +1 :               0.00010447249455
                3d
                   -2 :              -0.00001076843112
                   -1 :              -0.00011815101522
                   +0 :              -0.00002546317339
                   +1 :              -0.00000834609478
                   +2 :               0.00004128483805
             11 vec=    12.966938     -4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00014940142562
                2p
                   -1 :               0.00008075555779
                   +0 :               0.00002380425157
                   +1 :              -0.00001705213648
                3s
                   +0 :               0.00133782105393
                4s
                   +0 :              -0.00018604517430
                3p
                   -1 :              -0.00061894661710
                   +0 :               0.00007778406928
                   +1 :               0.00007304931624
                4p
                   -1 :               0.00013621785207
                   +0 :               0.00000109529739
                   +1 :              -0.00000946944015
                3d
                   -2 :              -0.00003759611476
                   -1 :              -0.00000966091494
                   +0 :               0.00005430962467
                   +1 :              -0.00010361097718
                   +2 :              -0.00002045971685
             12 vec=    12.966938      4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00012624247954
                2p
                   -1 :              -0.00000789504170
                   +0 :               0.00000478346836
                   +1 :              -0.00006028779748
                3s
                   +0 :               0.00056480866473
                4s
                   +0 :              -0.00011849516859
                3p
                   -1 :               0.00044359874844
                   +0 :              -0.00022136606089
                   +1 :               0.00032946376697
                4p
                   -1 :              -0.00002029173600
                   +0 :               0.00005910748052
                   +1 :              -0.00010428588614
                3d
                   -2 :               0.00007519385622
                   -1 :               0.00006360039702
                   +0 :              -0.00003232555379
                   +1 :              -0.00003279145012
                   +2 :               0.00006485712186
             13 vec=    -2.593388     -4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00008662852408
                2p
                   -1 :              -0.00002223333381
                   +0 :               0.00000741359064
                   +1 :               0.00001388478239
                3s
                   +0 :               0.00054464835047
                4s
                   +0 :              -0.00005940066812
                3p
                   -1 :              -0.00011448463460
                   +0 :              -0.00010683328786
                   +1 :              -0.00002164157858
                4p
                   -1 :               0.00000456374226
                   +0 :              -0.00001783792555
                   +1 :               0.00002404129294
                3d
                   -2 :               0.00005041687727
                   -1 :               0.00003257112274
                   +0 :              -0.00002761268828
                   +1 :               0.00003516189722
                   +2 :              -0.00004110576033
             14 vec=    -2.593388      4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00011799314297
                2p
                   -1 :               0.00004015954226
                   +0 :               0.00003124466517
                   +1 :              -0.00000043240998
                3s
                   +0 :               0.00081954956287
                4s
                   +0 :              -0.00018706226267
                3p
                   -1 :              -0.00022365233780
                   +0 :              -0.00032550607331
                   +1 :               0.00017936319940
                4p
                   -1 :               0.00005042081900
                   +0 :               0.00006005615394
                   +1 :              -0.00001089060215
                3d
                   -2 :               0.00006427200474
                   -1 :               0.00002237103585
                   +0 :               0.00000956086143
                   +1 :              -0.00005324096993
                   +2 :              -0.00000027865488
             15 vec=     5.186775      0.000000    -16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00020462166705
                2p
                   -1 :              -0.00000343594808
                   +0 :              -0.00003865825582
                   +1 :              -0.00004730762949
                3s
                   +0 :              -0.00136419791335
                4s
                   +0 :               0.00024646293078
                3p
                   -1 :               0.00000500675781
                   +0 :               0.00043233936117
                   +1 :               0.00017340281465
                4p
                   -1 :              -0.00000275962791
                   +0 :              -0.00004221822839
                   +1 :              -0.00003313804800
                3d
                   -2 :               0.00002198713053
                   -1 :              -0.00004908804942
                   +0 :               0.00001805182685
                   +1 :              -0.00000020600198
                   +2 :              -0.00000869331524
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al(  8)  npairs=  12
              1 vec=    -2.593388     -4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :               0.00698206659319
                2p
                   -1 :              -0.00254645155509
                   +0 :              -0.00258767273503
                   +1 :               0.00042459959600
                3s
                   +0 :              -0.03177758755233
                4s
                   +0 :               0.00544760249037
                3p
                   -1 :               0.00268215957992
                   +0 :               0.01623910276015
                   +1 :              -0.00479961665756
                4p
                   -1 :              -0.00044547285936
                   +0 :              -0.00402797757015
                   +1 :               0.00132099097957
                3d
                   -2 :               0.00130328281012
                   -1 :              -0.00255147449301
                   +0 :              -0.01056181529839
                   +1 :               0.00468193477405
                   +2 :              -0.00594375484894
              2 vec=    -2.593388      4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00128053685052
                2p
                   -1 :              -0.00019569228310
                   +0 :              -0.00075198774455
                   +1 :              -0.00040886213300
                3s
                   +0 :               0.01277527652604
                4s
                   +0 :              -0.00051363694131
                3p
                   -1 :              -0.01811195139829
                   +0 :              -0.00250322650772
                   +1 :               0.00786815850485
                4p
                   -1 :               0.00174474358088
                   +0 :              -0.00025919899819
                   +1 :              -0.00112841567561
                3d
                   -2 :               0.00550988836168
                   -1 :              -0.00031423761281
                   +0 :               0.01367219658192
                   +1 :               0.00903244755091
                   +2 :               0.01024936992345
              3 vec=     5.186775      0.000000      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00570152974267
                2p
                   -1 :              -0.00209287094949
                   +0 :               0.00333966047958
                   +1 :              -0.00202794851623
                3s
                   +0 :               0.01900231102629
                4s
                   +0 :              -0.00493396554905
                3p
                   -1 :               0.00325571919089
                   +0 :              -0.01373587625242
                   +1 :               0.01954249927989
                4p
                   -1 :              -0.00147161302683
                   +0 :               0.00428717656834
                   +1 :              -0.00180049542505
                3d
                   -2 :              -0.01061707183365
                   -1 :               0.00233479853134
                   +0 :              -0.00311038128354
                   +1 :               0.00491968718995
                   +2 :               0.00579583480861
              4 vec=   -10.373550     -0.000000      0.930106   |vec|=   10.415164
                2s
                   +0 :              -0.00038100353899
                2p
                   -1 :              -0.00000081725814
                   +0 :              -0.00038883011798
                   +1 :               0.00006456649598
                3s
                   +0 :               0.00075852827589
                4s
                   +0 :              -0.00068499636586
                3p
                   -1 :              -0.00552758873979
                   +0 :               0.00886663815931
                   +1 :               0.00002522695568
                4p
                   -1 :              -0.00008124120857
                   +0 :              -0.00057105529527
                   +1 :               0.00017158893614
                3d
                   -2 :               0.00119673659831
                   -1 :              -0.00014650405341
                   +0 :               0.00099912579424
                   +1 :              -0.00187396002672
                   +2 :               0.00069032116584
              5 vec=     5.186775     -8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :              -0.00017279001050
                2p
                   -1 :              -0.00029156356737
                   +0 :               0.00014777188693
                   +1 :               0.00019954693725
                3s
                   +0 :               0.00911334695566
                4s
                   +0 :              -0.00047635022282
                3p
                   -1 :              -0.00346669964816
                   +0 :              -0.00301910875892
                   +1 :              -0.00319296323758
                4p
                   -1 :               0.00008482924940
                   +0 :               0.00039188424870
                   +1 :               0.00000557371716
                3d
                   -2 :               0.00130778865858
                   -1 :               0.00109819758735
                   +0 :               0.00061182381734
                   +1 :               0.00077704075814
                   +2 :              -0.00030225908359
              6 vec=     5.186775      8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00055379354949
                2p
                   -1 :              -0.00026308690391
                   +0 :               0.00024105823105
                   +1 :              -0.00011973697323
                3s
                   +0 :              -0.00987187523155
                4s
                   +0 :               0.00116134658869
                3p
                   -1 :              -0.00171010973240
                   +0 :              -0.00584752940039
                   +1 :               0.00020091416678
                4p
                   -1 :               0.00014556741747
                   +0 :               0.00017917104657
                   +1 :               0.00023240256207
                3d
                   -2 :               0.00039266291714
                   -1 :              -0.00181998725817
                   +0 :              -0.00161094961158
                   +1 :               0.00052948360674
                   +2 :               0.00009785713578
              7 vec=   -10.373550     -8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00054275575097
                2p
                   -1 :              -0.00015126486424
                   +0 :              -0.00006440345558
                   +1 :              -0.00009257110971
                3s
                   +0 :              -0.00275417415392
                4s
                   +0 :               0.00062795669667
                3p
                   -1 :               0.00089043245928
                   +0 :               0.00118033993989
                   +1 :               0.00107016175994
                4p
                   -1 :              -0.00011646703408
                   +0 :              -0.00019994535932
                   +1 :              -0.00013343438365
                3d
                   -2 :              -0.00030615289351
                   -1 :              -0.00018900789275
                   +0 :               0.00014201797709
                   +1 :              -0.00015295178209
                   +2 :              -0.00036578094949
              8 vec=   -10.373550      8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00017258665744
                2p
                   -1 :               0.00000733791580
                   +0 :               0.00006460681608
                   +1 :               0.00001078690531
                3s
                   +0 :               0.00204543394839
                4s
                   +0 :              -0.00045164038873
                3p
                   -1 :              -0.00067866763382
                   +0 :              -0.00007459936041
                   +1 :              -0.00007908939162
                4p
                   -1 :               0.00021357665416
                   +0 :               0.00006144731447
                   +1 :               0.00004873080583
                3d
                   -2 :               0.00016537715313
                   -1 :               0.00000362565870
                   +0 :               0.00029219753707
                   +1 :              -0.00011833117067
                   +2 :               0.00007976768831
              9 vec=    -2.593388    -13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00007063472523
                2p
                   -1 :              -0.00001656730232
                   +0 :               0.00010028666159
                   +1 :               0.00004749680711
                3s
                   +0 :               0.00026342806865
                4s
                   +0 :               0.00010202339422
                3p
                   -1 :              -0.00018042402022
                   +0 :              -0.00059264629889
                   +1 :              -0.00010992865572
                4p
                   -1 :              -0.00012322629615
                   +0 :               0.00014889340547
                   +1 :               0.00003569259130
                3d
                   -2 :              -0.00003960353610
                   -1 :               0.00012983307059
                   +0 :              -0.00001052103009
                   +1 :               0.00003787891870
                   +2 :              -0.00003166769140
             10 vec=    -2.593388     13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00012494941449
                2p
                   -1 :              -0.00001075939513
                   +0 :               0.00009833317995
                   +1 :              -0.00005118305160
                3s
                   +0 :               0.00153633774376
                4s
                   +0 :              -0.00034203391356
                3p
                   -1 :               0.00051873579873
                   +0 :               0.00017436717905
                   +1 :               0.00056718400977
                4p
                   -1 :              -0.00013716271370
                   +0 :               0.00006478837829
                   +1 :              -0.00021364857753
                3d
                   -2 :              -0.00000280592531
                   -1 :               0.00009073356846
                   +0 :               0.00014066227449
                   +1 :              -0.00005860428482
                   +2 :              -0.00015957537680
             11 vec=    12.966938     -4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00041780633648
                2p
                   -1 :              -0.00004516901995
                   +0 :              -0.00003392972438
                   +1 :              -0.00019355838628
                3s
                   +0 :               0.00121783641016
                4s
                   +0 :              -0.00028592278311
                3p
                   -1 :               0.00026899261983
                   +0 :              -0.00135470711895
                   +1 :               0.00114057163539
                4p
                   -1 :              -0.00019628240353
                   +0 :               0.00013515698103
                   +1 :              -0.00015561849629
                3d
                   -2 :              -0.00033305867376
                   -1 :               0.00003257016727
                   +0 :              -0.00028268025158
                   +1 :              -0.00034804124535
                   +2 :               0.00000002801747
             12 vec=    12.966938      4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00024322138266
                2p
                   -1 :              -0.00003640640079
                   +0 :              -0.00016489347767
                   +1 :               0.00000843933003
                3s
                   +0 :              -0.00230886201704
                4s
                   +0 :               0.00034961699451
                3p
                   -1 :              -0.00040283824088
                   +0 :               0.00066724565930
                   +1 :               0.00033698260298
                4p
                   -1 :               0.00005646660401
                   +0 :              -0.00021034071994
                   +1 :              -0.00024946821248
                3d
                   -2 :              -0.00003361906120
                   -1 :              -0.00006855254108
                   +0 :              -0.00028167650698
                   +1 :               0.00006907269886
                   +2 :               0.00020156848261
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al(  9)  npairs=  12
              1 vec=    -5.186775     -0.000000     -3.160987   |vec|=    6.074082
                2s
                   +0 :              -0.00632082240028
                2p
                   -1 :               0.00077873365551
                   +0 :               0.00207540790482
                   +1 :               0.00302817166352
                3s
                   +0 :               0.02305478238474
                4s
                   +0 :              -0.00869884290638
                3p
                   -1 :              -0.01141382769388
                   +0 :              -0.01124729254826
                   +1 :              -0.00283063017886
                4p
                   -1 :               0.00008844576256
                   +0 :               0.00291905481344
                   +1 :               0.00440687366562
                3d
                   -2 :              -0.00491253515047
                   -1 :               0.00200905505537
                   +0 :              -0.00237582721998
                   +1 :               0.00135130269121
                   +2 :              -0.00697640849308
              2 vec=     2.593388     -4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00099710242543
                2p
                   -1 :              -0.00184199479447
                   +0 :               0.00016450348093
                   +1 :               0.00009765758819
                3s
                   +0 :               0.00516527200647
                4s
                   +0 :               0.00464753780612
                3p
                   -1 :               0.01581442439931
                   +0 :              -0.00509744488112
                   +1 :               0.00825916921325
                4p
                   -1 :              -0.00468223516421
                   +0 :              -0.00000930521005
                   +1 :               0.00042279369523
                3d
                   -2 :               0.00251719282457
                   -1 :              -0.00291195847803
                   +0 :               0.00258942275967
                   +1 :              -0.00353905716085
                   +2 :               0.00532410295127
              3 vec=     2.593388      4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00532371997485
                2p
                   -1 :               0.00200626906589
                   +0 :              -0.00223991138575
                   +1 :              -0.00070670278824
                3s
                   +0 :              -0.02822005439121
                4s
                   +0 :               0.00405130510025
                3p
                   -1 :              -0.00740374964373
                   +0 :               0.01634473742938
                   +1 :               0.02629462753054
                4p
                   -1 :               0.00115341976424
                   +0 :              -0.00290974960339
                   +1 :              -0.00171669719552
                3d
                   -2 :               0.00945488422739
                   -1 :               0.00378372415421
                   +0 :              -0.00021359553968
                   +1 :              -0.00535559996711
                   +2 :              -0.00726048594050
              4 vec=    -5.186775     -8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :              -0.00015266056302
                2p
                   -1 :               0.00014415574476
                   +0 :              -0.00005703215490
                   +1 :              -0.00013345306018
                3s
                   +0 :              -0.00022055347312
                4s
                   +0 :              -0.00009324166894
                3p
                   -1 :              -0.00131001905693
                   +0 :               0.00104822937297
                   +1 :               0.00121493922831
                4p
                   -1 :               0.00023852318262
                   +0 :              -0.00030326304295
                   +1 :              -0.00017732428627
                3d
                   -2 :               0.00005065595939
                   -1 :               0.00016092795809
                   +0 :              -0.00021583496307
                   +1 :              -0.00047314347509
                   +2 :              -0.00054991493255
              5 vec=    -5.186775      8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :              -0.00275010291693
                2p
                   -1 :              -0.00048738756133
                   +0 :               0.00109342186690
                   +1 :               0.00019584954681
                3s
                   +0 :               0.02087336090089
                4s
                   +0 :              -0.00218008016282
                3p
                   -1 :               0.00784755918227
                   +0 :              -0.01250387388293
                   +1 :               0.00089995707093
                4p
                   -1 :              -0.00021465099013
                   +0 :               0.00195445029239
                   +1 :               0.00028102927923
                3d
                   -2 :               0.00087043618803
                   -1 :              -0.00361805606491
                   +0 :               0.00153325588053
                   +1 :              -0.00025441270045
                   +2 :              -0.00081513188317
              6 vec=    10.373550      0.000000     -3.160987   |vec|=   10.844463
                2s
                   +0 :               0.00290276347995
                2p
                   -1 :               0.00011356851490
                   +0 :              -0.00103638971199
                   +1 :               0.00057813078998
                3s
                   +0 :              -0.02065280742778
                4s
                   +0 :               0.00227332183175
                3p
                   -1 :               0.00299598751264
                   +0 :               0.01145564450996
                   +1 :              -0.00687324724267
                4p
                   -1 :               0.00040888192788
                   +0 :              -0.00165118724944
                   +1 :               0.00044431284241
                3d
                   -2 :               0.00069023069046
                   -1 :              -0.00153913764598
                   +0 :              -0.00131742091746
                   +1 :               0.00290891807664
                   +2 :               0.00002742709566
              7 vec=   -12.966938     -4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00015736624737
                2p
                   -1 :               0.00008396364618
                   +0 :               0.00004551950418
                   +1 :               0.00005007304439
                3s
                   +0 :               0.00111067508848
                4s
                   +0 :              -0.00034268910839
                3p
                   -1 :              -0.00019272049536
                   +0 :              -0.00048732911656
                   +1 :              -0.00048262142724
                4p
                   -1 :               0.00015399496041
                   +0 :              -0.00003382808200
                   +1 :               0.00013401237218
                3d
                   -2 :              -0.00001147750876
                   -1 :               0.00011795139701
                   +0 :               0.00017356365070
                   +1 :               0.00027754817166
                   +2 :               0.00010065619379
              8 vec=   -12.966938      4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00028752556690
                2p
                   -1 :              -0.00003244765166
                   +0 :               0.00010098285193
                   +1 :               0.00005771181040
                3s
                   +0 :               0.00278127335257
                4s
                   +0 :              -0.00051809673106
                3p
                   -1 :               0.00036925325568
                   +0 :              -0.00106772631064
                   +1 :              -0.00036977308911
                4p
                   -1 :               0.00001295170114
                   +0 :               0.00031161383209
                   +1 :               0.00007289343018
                3d
                   -2 :              -0.00010576468151
                   -1 :               0.00018098486726
                   +0 :               0.00025147884979
                   +1 :               0.00019418968812
                   +2 :               0.00017687886937
              9 vec=     2.593388    -13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00004505342047
                2p
                   -1 :               0.00002450684202
                   +0 :              -0.00001234864429
                   +1 :              -0.00002257480824
                3s
                   +0 :               0.00038699533481
                4s
                   +0 :               0.00007501109848
                3p
                   -1 :              -0.00000230707508
                   +0 :              -0.00000002366563
                   +1 :              -0.00000909426546
                4p
                   -1 :              -0.00005759594750
                   +0 :              -0.00003963342976
                   +1 :              -0.00005112141656
                3d
                   -2 :              -0.00004599988308
                   -1 :               0.00003368977153
                   +0 :              -0.00009309157843
                   +1 :              -0.00001398467039
                   +2 :               0.00006590536415
             10 vec=     2.593388     13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00002876910698
                2p
                   -1 :              -0.00000074362804
                   +0 :               0.00001593394538
                   +1 :              -0.00014280382761
                3s
                   +0 :              -0.00099181887771
                4s
                   +0 :               0.00008853814411
                3p
                   -1 :              -0.00068819210149
                   +0 :               0.00034702756479
                   +1 :               0.00033987607877
                4p
                   -1 :               0.00004643997732
                   +0 :               0.00000082396143
                   +1 :              -0.00018345881503
                3d
                   -2 :              -0.00017303880852
                   -1 :               0.00015795371822
                   +0 :              -0.00003626431187
                   +1 :               0.00008166101326
                   +2 :               0.00022588795302
             11 vec=    10.373550     -8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00018613535435
                2p
                   -1 :              -0.00012542626189
                   +0 :              -0.00006145344955
                   +1 :               0.00002699325975
                3s
                   +0 :              -0.00011885621077
                4s
                   +0 :               0.00025415096428
                3p
                   -1 :               0.00027184743633
                   +0 :               0.00014030155177
                   +1 :               0.00035771832353
                4p
                   -1 :              -0.00017472064423
                   +0 :               0.00003300412056
                   +1 :               0.00006842212624
                3d
                   -2 :              -0.00020071204349
                   -1 :              -0.00003169069784
                   +0 :              -0.00013729933883
                   +1 :               0.00014496156608
                   +2 :               0.00002335588355
             12 vec=    10.373550      8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00033257898736
                2p
                   -1 :               0.00006555984650
                   +0 :              -0.00008863420764
                   +1 :               0.00006689253946
                3s
                   +0 :              -0.00316826868739
                4s
                   +0 :               0.00044308563257
                3p
                   -1 :              -0.00012888393359
                   +0 :               0.00106774997627
                   +1 :              -0.00051121436276
                4p
                   -1 :               0.00008507788454
                   +0 :              -0.00027198040233
                   +1 :              -0.00005021004909
                3d
                   -2 :              -0.00017198815697
                   -1 :               0.00028762160229
                   +0 :              -0.00015838727137
                   +1 :              -0.00003745878589
                   +2 :               0.00006963428307
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al( 10)  npairs=  12
              1 vec=    -5.186775     -0.000000      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00508675705059
                2p
                   -1 :               0.00030579825232
                   +0 :               0.00169636997291
                   +1 :              -0.00184903681253
                3s
                   +0 :              -0.03602256091278
                4s
                   +0 :               0.00641360125081
                3p
                   -1 :              -0.02202546254419
                   +0 :              -0.00105813631250
                   +1 :               0.01042374460912
                4p
                   -1 :               0.00006751502312
                   +0 :               0.00305729835128
                   +1 :              -0.00357060577423
                3d
                   -2 :               0.00508117175575
                   -1 :               0.00033791958517
                   +0 :               0.00384771484934
                   +1 :              -0.00411979471647
                   +2 :               0.00820088279882
              2 vec=     2.593388     -4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :              -0.00628210020451
                2p
                   -1 :               0.00216262057678
                   +0 :              -0.00142516489454
                   +1 :               0.00085293277518
                3s
                   +0 :               0.06021399972025
                4s
                   +0 :              -0.00369619061607
                3p
                   -1 :              -0.03387549257733
                   +0 :               0.00766354148909
                   +1 :              -0.01873091028087
                4p
                   -1 :               0.00126066216279
                   +0 :              -0.00145212974823
                   +1 :               0.00145155362861
                3d
                   -2 :               0.00796908804701
                   -1 :              -0.00066445475448
                   +0 :              -0.00499976020289
                   +1 :              -0.00366424478854
                   +2 :              -0.00531497676392
              3 vec=     2.593388      4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00119534315393
                2p
                   -1 :              -0.00110576488867
                   +0 :              -0.00027120507837
                   +1 :               0.00111000328462
                3s
                   +0 :              -0.02419143880748
                4s
                   +0 :              -0.00271741063474
                3p
                   -1 :              -0.00270180578746
                   +0 :              -0.00660540517659
                   +1 :              -0.01441600988019
                4p
                   -1 :              -0.00368522903176
                   +0 :              -0.00160516860305
                   +1 :              -0.00002623033941
                3d
                   -2 :              -0.00517994783394
                   -1 :              -0.00055778539493
                   +0 :               0.00115204535355
                   +1 :              -0.00476010139475
                   +2 :              -0.00105805585478
              4 vec=    -5.186775     -8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00097149307411
                2p
                   -1 :              -0.00002459500160
                   +0 :               0.00052963037299
                   +1 :               0.00008298525213
                3s
                   +0 :              -0.00822166800034
                4s
                   +0 :               0.00082224066889
                3p
                   -1 :               0.00249860207780
                   +0 :              -0.00628124664233
                   +1 :              -0.00348878067815
                4p
                   -1 :               0.00002466520124
                   +0 :               0.00076706720711
                   +1 :               0.00032313003916
                3d
                   -2 :               0.00089570078247
                   -1 :               0.00165444404096
                   +0 :              -0.00081069663625
                   +1 :              -0.00047792026604
                   +2 :               0.00002159569254
              5 vec=    -5.186775      8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00000741296252
                2p
                   -1 :               0.00001624117667
                   +0 :              -0.00002831391496
                   +1 :               0.00005798588431
                3s
                   +0 :               0.00162377617519
                4s
                   +0 :              -0.00041943981705
                3p
                   -1 :              -0.00077962745028
                   +0 :               0.00264091552630
                   +1 :              -0.00133119764011
                4p
                   -1 :              -0.00007571082190
                   +0 :              -0.00058944466954
                   +1 :               0.00004201922373
                3d
                   -2 :              -0.00010325410257
                   -1 :              -0.00008547053464
                   +0 :               0.00071276409993
                   +1 :              -0.00040244317214
                   +2 :               0.00031576738102
              6 vec=    10.373550      0.000000      4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00097890603663
                2p
                   -1 :              -0.00002582700007
                   +0 :              -0.00050131645802
                   +1 :               0.00003512040044
                3s
                   +0 :               0.00659789182515
                4s
                   +0 :              -0.00040280085184
                3p
                   -1 :               0.00272800903548
                   +0 :               0.00364033111603
                   +1 :               0.00042904089162
                4p
                   -1 :              -0.00026897191777
                   +0 :              -0.00017762253757
                   +1 :               0.00026950281742
                3d
                   -2 :               0.00014146318465
                   -1 :               0.00084985183388
                   +0 :               0.00009793253631
                   +1 :               0.00106662850379
                   +2 :              -0.00069643877090
              7 vec=   -12.966938     -4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00079007412497
                2p
                   -1 :              -0.00010128913741
                   +0 :              -0.00002028707400
                   +1 :              -0.00015918548040
                3s
                   +0 :              -0.00450422753209
                4s
                   +0 :               0.00103415452424
                3p
                   -1 :               0.00066625614391
                   +0 :               0.00013410696278
                   +1 :               0.00189527363997
                4p
                   -1 :              -0.00017001898766
                   +0 :              -0.00003297750363
                   +1 :              -0.00034990027536
                3d
                   -2 :              -0.00039386321300
                   -1 :              -0.00028128507228
                   +0 :              -0.00009183875582
                   +1 :               0.00005093928964
                   +2 :              -0.00020555457029
              8 vec=   -12.966938      4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00001836018159
                2p
                   -1 :               0.00005388658146
                   +0 :               0.00003308394434
                   +1 :              -0.00008559895645
                3s
                   +0 :               0.00042392181395
                4s
                   +0 :               0.00019990816894
                3p
                   -1 :              -0.00013788308425
                   +0 :               0.00030061987118
                   +1 :               0.00039956047931
                4p
                   -1 :               0.00013314490218
                   +0 :              -0.00014990747876
                   +1 :              -0.00024606530541
                3d
                   -2 :               0.00003975592323
                   -1 :               0.00003015837310
                   +0 :               0.00003596975266
                   +1 :               0.00005402226854
                   +2 :              -0.00002645481242
              9 vec=     2.593388    -13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00004996826542
                2p
                   -1 :               0.00010854100817
                   +0 :               0.00003562039784
                   +1 :               0.00000106317616
                3s
                   +0 :               0.00015667112534
                4s
                   +0 :              -0.00011163735117
                3p
                   -1 :              -0.00040798216966
                   +0 :              -0.00040969435931
                   +1 :               0.00008055247219
                4p
                   -1 :               0.00015864756008
                   +0 :               0.00011467595145
                   +1 :               0.00000433701602
                3d
                   -2 :              -0.00011000833973
                   -1 :               0.00003225378416
                   +0 :              -0.00017519305761
                   +1 :               0.00010619227247
                   +2 :              -0.00010599826411
             10 vec=     2.593388     13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00018164242685
                2p
                   -1 :               0.00005528772865
                   +0 :               0.00008285772173
                   +1 :               0.00004339142016
                3s
                   +0 :              -0.00062926875505
                4s
                   +0 :               0.00001766617622
                3p
                   -1 :              -0.00021397155166
                   +0 :              -0.00036881695830
                   +1 :               0.00021218582535
                4p
                   -1 :              -0.00004846869779
                   +0 :               0.00015635726594
                   +1 :              -0.00002368326417
                3d
                   -2 :               0.00006895681469
                   -1 :              -0.00007534604199
                   +0 :               0.00011525490654
                   +1 :               0.00002893270305
                   +2 :               0.00000537661836
             11 vec=    10.373550     -8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00097171655181
                2p
                   -1 :               0.00015243603773
                   +0 :              -0.00006257064773
                   +1 :              -0.00019349657377
                3s
                   +0 :               0.00513349628714
                4s
                   +0 :              -0.00105182070046
                3p
                   -1 :              -0.00123145450813
                   +0 :               0.00023470999552
                   +1 :               0.00181602927814
                4p
                   -1 :               0.00017326837612
                   +0 :              -0.00012337976231
                   +1 :              -0.00029205740863
                3d
                   -2 :              -0.00034512496698
                   -1 :              -0.00019737382018
                   +0 :              -0.00002341615073
                   +1 :              -0.00013841243551
                   +2 :               0.00030072492539
             12 vec=    10.373550      8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00003160808383
                2p
                   -1 :               0.00000616218643
                   +0 :              -0.00006870434217
                   +1 :               0.00000506423181
                3s
                   +0 :              -0.00058059293929
                4s
                   +0 :              -0.00008827081776
                3p
                   -1 :               0.00000333641122
                   +0 :               0.00010907448813
                   +1 :               0.00000614380625
                4p
                   -1 :              -0.00007095854040
                   +0 :               0.00003523152732
                   +1 :              -0.00009877819509
                3d
                   -2 :              -0.00010401285812
                   -1 :              -0.00001397447009
                   +0 :               0.00013922330495
                   +1 :               0.00008192194972
                   +2 :               0.00006347311804
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al( 11)  npairs=  15
              1 vec=    -5.186775     -0.000000     -8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00300885600062
                2p
                   -1 :               0.00010440115766
                   +0 :               0.00081389301373
                   +1 :               0.00030205344826
                3s
                   +0 :               0.01720880484153
                4s
                   +0 :              -0.00453282301357
                3p
                   -1 :              -0.00532810560570
                   +0 :              -0.00703982842425
                   +1 :              -0.00147531566422
                4p
                   -1 :               0.00005389033081
                   +0 :               0.00164708293380
                   +1 :               0.00081727356111
                3d
                   -2 :              -0.00056634049021
                   -1 :               0.00055272090868
                   +0 :              -0.00000286771337
                   +1 :               0.00025671217116
                   +2 :              -0.00159127079125
              2 vec=     2.593388     -4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00163137312350
                2p
                   -1 :              -0.00084430311584
                   +0 :              -0.00068247415462
                   +1 :              -0.00026375625720
                3s
                   +0 :              -0.00457620578742
                4s
                   +0 :               0.00219999760242
                3p
                   -1 :               0.00366338935278
                   +0 :               0.00300483079711
                   +1 :               0.00207431102525
                4p
                   -1 :              -0.00083577568468
                   +0 :              -0.00105383554555
                   +1 :              -0.00043792473133
                3d
                   -2 :               0.00012958369084
                   -1 :              -0.00085343057782
                   +0 :              -0.00014369479433
                   +1 :              -0.00029152000836
                   +2 :               0.00020963120451
              3 vec=     2.593388      4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00137748287712
                2p
                   -1 :               0.00012005459955
                   +0 :              -0.00013141885911
                   +1 :              -0.00080245340600
                3s
                   +0 :              -0.01263259905411
                4s
                   +0 :               0.00233282541115
                3p
                   -1 :              -0.00390642501349
                   +0 :               0.00403499762713
                   +1 :               0.00808636073256
                4p
                   -1 :               0.00069609093111
                   +0 :              -0.00059324738825
                   +1 :              -0.00058079895541
                3d
                   -2 :               0.00134124847837
                   -1 :               0.00032442816007
                   +0 :               0.00014656250771
                   +1 :              -0.00123516682748
                   +2 :              -0.00129350781327
              4 vec=    -5.186775     -8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00041906209107
                2p
                   -1 :               0.00012720351608
                   +0 :               0.00017093765732
                   +1 :              -0.00006695568877
                3s
                   +0 :               0.00134515705770
                4s
                   +0 :              -0.00035538640501
                3p
                   -1 :              -0.00073717955301
                   +0 :              -0.00064517639579
                   +1 :               0.00042112327064
                4p
                   -1 :               0.00007503502440
                   +0 :               0.00018188671963
                   +1 :              -0.00009120823494
                3d
                   -2 :              -0.00003030324045
                   -1 :               0.00024849248948
                   +0 :               0.00007664754734
                   +1 :              -0.00005042895230
                   +2 :              -0.00008909928010
              5 vec=    -5.186775      8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00039471785610
                2p
                   -1 :              -0.00000169070630
                   +0 :               0.00003541563971
                   +1 :              -0.00008422783458
                3s
                   +0 :               0.00343781331851
                4s
                   +0 :              -0.00087215889035
                3p
                   -1 :               0.00043171649639
                   +0 :              -0.00006288126111
                   +1 :               0.00066058623807
                4p
                   -1 :              -0.00009215338978
                   +0 :               0.00014841022491
                   +1 :              -0.00015425485155
                3d
                   -2 :               0.00025923068254
                   -1 :               0.00020721788436
                   +0 :               0.00061404948892
                   +1 :               0.00012564623009
                   +2 :               0.00021621241882
              6 vec=    10.373550      0.000000     -8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00081377994717
                2p
                   -1 :               0.00004779828784
                   +0 :              -0.00020635329703
                   +1 :               0.00003603390931
                3s
                   +0 :              -0.00478297037621
                4s
                   +0 :               0.00122754529536
                3p
                   -1 :               0.00005464948475
                   +0 :               0.00070805765690
                   +1 :              -0.00047143891881
                4p
                   -1 :              -0.00006315915429
                   +0 :              -0.00033029694454
                   +1 :               0.00002205787066
                3d
                   -2 :              -0.00014994396628
                   -1 :               0.00038034076785
                   +0 :              -0.00069069703626
                   +1 :               0.00007335349546
                   +2 :               0.00031430030193
              7 vec=   -12.966938     -4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00019677567286
                2p
                   -1 :               0.00002932439273
                   +0 :               0.00002937774286
                   +1 :               0.00005793308367
                3s
                   +0 :               0.00085737183536
                4s
                   +0 :              -0.00013295404134
                3p
                   -1 :              -0.00022870419614
                   +0 :              -0.00005012760499
                   +1 :              -0.00022684440709
                4p
                   -1 :               0.00005742621225
                   +0 :               0.00000961898441
                   +1 :              -0.00000417611935
                3d
                   -2 :              -0.00000808716001
                   -1 :               0.00005159590550
                   +0 :               0.00003206304094
                   +1 :              -0.00003831400610
                   +2 :               0.00005291014766
              8 vec=   -12.966938      4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00030143488538
                2p
                   -1 :              -0.00005647219389
                   +0 :               0.00002062857244
                   +1 :              -0.00003217271566
                3s
                   +0 :               0.00219945839674
                4s
                   +0 :              -0.00032775148015
                3p
                   -1 :               0.00046145092627
                   +0 :              -0.00021405005901
                   +1 :               0.00008267416893
                4p
                   -1 :              -0.00007774902943
                   +0 :              -0.00001531814602
                   +1 :              -0.00011500910393
                3d
                   -2 :              -0.00006781785357
                   -1 :              -0.00003352087010
                   +0 :               0.00017685542117
                   +1 :               0.00001943735752
                   +2 :               0.00001858063073
              9 vec=     2.593388    -13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00002221843662
                2p
                   -1 :              -0.00001180529779
                   +0 :              -0.00000304551332
                   +1 :              -0.00002065164197
                3s
                   +0 :               0.00009740482901
                4s
                   +0 :              -0.00002944777079
                3p
                   -1 :              -0.00001621734333
                   +0 :              -0.00000989403142
                   +1 :               0.00009566265205
                4p
                   -1 :               0.00000026883368
                   +0 :              -0.00000320055423
                   +1 :              -0.00003055268488
                3d
                   -2 :              -0.00007221135337
                   -1 :               0.00000774213572
                   +0 :              -0.00002771783651
                   +1 :              -0.00000650721166
                   +2 :              -0.00003031986868
             10 vec=     2.593388     13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00007328103491
                2p
                   -1 :               0.00005045569279
                   +0 :              -0.00001860646753
                   +1 :               0.00000428635269
                3s
                   +0 :              -0.00026070924631
                4s
                   +0 :               0.00007305023529
                3p
                   -1 :              -0.00020506037612
                   +0 :              -0.00004531620699
                   +1 :               0.00010652809193
                4p
                   -1 :               0.00003322787458
                   +0 :              -0.00002467222010
                   +1 :              -0.00003149443895
                3d
                   -2 :              -0.00001084951417
                   -1 :              -0.00003122523063
                   +0 :               0.00001287057779
                   +1 :              -0.00010341367197
                   +2 :               0.00001334784064
             11 vec=    10.373550     -8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00012349463796
                2p
                   -1 :              -0.00000656938910
                   +0 :              -0.00001077127534
                   +1 :               0.00001280947552
                3s
                   +0 :              -0.00059666258905
                4s
                   +0 :               0.00005990380606
                3p
                   -1 :               0.00007182676694
                   +0 :               0.00009544381198
                   +1 :              -0.00008063430636
                4p
                   -1 :               0.00002166868465
                   +0 :               0.00001505323569
                   +1 :               0.00000312109600
                3d
                   -2 :               0.00002479362582
                   -1 :              -0.00004619262698
                   +0 :              -0.00004493361872
                   +1 :               0.00000086136883
                   +2 :               0.00003073672528
             12 vec=    10.373550      8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00032365332200
                2p
                   -1 :              -0.00004411628834
                   +0 :              -0.00001758305913
                   +1 :               0.00001227048792
                3s
                   +0 :              -0.00229686322575
                4s
                   +0 :               0.00035719925095
                3p
                   -1 :               0.00021136843512
                   +0 :               0.00022394409043
                   +1 :              -0.00032450444556
                4p
                   -1 :              -0.00011188150228
                   +0 :               0.00001851870024
                   +1 :              -0.00000521544301
                3d
                   -2 :              -0.00011236367821
                   -1 :               0.00000957928881
                   +0 :              -0.00014913758466
                   +1 :               0.00004219988421
                   +2 :              -0.00000206473653
             13 vec=    -5.186775     -0.000000     16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00012832137041
                2p
                   -1 :              -0.00004125508717
                   +0 :              -0.00000713357074
                   +1 :               0.00000713116634
                3s
                   +0 :              -0.00000853745379
                4s
                   +0 :              -0.00006771886988
                3p
                   -1 :               0.00020250951129
                   +0 :              -0.00003961284782
                   +1 :              -0.00018811379808
                4p
                   -1 :              -0.00003760985440
                   +0 :               0.00003323965168
                   +1 :              -0.00000057430927
                3d
                   -2 :               0.00001425989353
                   -1 :               0.00006343792947
                   +0 :               0.00001878098431
                   +1 :              -0.00000029279969
                   +2 :              -0.00000426300017
             14 vec=     2.593388     -4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00007617910124
                2p
                   -1 :              -0.00003379417157
                   +0 :              -0.00004901224943
                   +1 :              -0.00001213836620
                3s
                   +0 :               0.00030900256843
                4s
                   +0 :              -0.00005488413521
                3p
                   -1 :               0.00028693826741
                   +0 :               0.00044986983781
                   +1 :              -0.00000218949457
                4p
                   -1 :               0.00000355445668
                   +0 :              -0.00013741538839
                   +1 :              -0.00004002092406
                3d
                   -2 :              -0.00000728319255
                   -1 :               0.00001691618266
                   +0 :               0.00005581524117
                   +1 :               0.00005189238075
                   +2 :              -0.00008113747079
             15 vec=     2.593388      4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00005214226917
                2p
                   -1 :              -0.00002083672466
                   +0 :               0.00005614582017
                   +1 :               0.00000395774252
                3s
                   +0 :              -0.00030046511464
                4s
                   +0 :               0.00012260300508
                3p
                   -1 :               0.00008370871932
                   +0 :              -0.00041025698998
                   +1 :              -0.00002203419872
                4p
                   -1 :               0.00001713407165
                   +0 :               0.00010417573670
                   +1 :               0.00001535172246
                3d
                   -2 :              -0.00006308689397
                   -1 :              -0.00000501663590
                   +0 :              -0.00007459622548
                   +1 :              -0.00001448922403
                   +2 :              -0.00002404337567
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site Al( 12)  npairs=  15
              1 vec=    -5.186775     -0.000000      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00023325271609
                2p
                   -1 :               0.00111083270109
                   +0 :              -0.00014555776156
                   +1 :               0.00113515747351
                3s
                   +0 :              -0.00194242200929
                4s
                   +0 :               0.00083074688642
                3p
                   -1 :              -0.01029867490038
                   +0 :               0.00115626812192
                   +1 :              -0.00926135435559
                4p
                   -1 :               0.00114644060086
                   +0 :              -0.00000553306644
                   +1 :               0.00193299622592
                3d
                   -2 :              -0.00048456552417
                   -1 :              -0.00163701787309
                   +0 :               0.00114399067241
                   +1 :              -0.00187182739244
                   +2 :               0.00221021770711
              2 vec=     2.593388     -4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00024769263104
                2p
                   -1 :              -0.00028774272629
                   +0 :               0.00018292726420
                   +1 :               0.00095427380388
                3s
                   +0 :              -0.00347566060333
                4s
                   +0 :              -0.00004420547505
                3p
                   -1 :               0.00293414145959
                   +0 :              -0.00459320982314
                   +1 :              -0.01086590854182
                4p
                   -1 :              -0.00088592176104
                   +0 :               0.00035629676576
                   +1 :               0.00121024789353
                3d
                   -2 :               0.00149947280678
                   -1 :               0.00132094379103
                   +0 :              -0.00213635476424
                   +1 :              -0.00249786451653
                   +2 :               0.00154202823455
              3 vec=     2.593388      4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :              -0.00048094534713
                2p
                   -1 :               0.00056819484043
                   +0 :              -0.00003736950264
                   +1 :              -0.00016648621052
                3s
                   +0 :               0.00541808261262
                4s
                   +0 :              -0.00078654141137
                3p
                   -1 :              -0.00229268203337
                   +0 :               0.00343694170122
                   +1 :               0.00139632368264
                4p
                   -1 :               0.00075617783630
                   +0 :              -0.00035076369932
                   +1 :              -0.00018845537538
                3d
                   -2 :              -0.00007121541648
                   -1 :               0.00038412701214
                   +0 :               0.00099236409183
                   +1 :               0.00037682399007
                   +2 :               0.00015789537415
              4 vec=    -5.186775     -8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :               0.00086838745042
                2p
                   -1 :              -0.00016796819273
                   +0 :               0.00009982686454
                   +1 :              -0.00009178348698
                3s
                   +0 :              -0.00494732465370
                4s
                   +0 :               0.00133812833155
                3p
                   -1 :               0.00157970304632
                   +0 :              -0.00031662590769
                   +1 :               0.00101675615538
                4p
                   -1 :              -0.00039729094638
                   +0 :               0.00011036269468
                   +1 :              -0.00030351132184
                3d
                   -2 :              -0.00009687445075
                   -1 :               0.00001672778216
                   +0 :              -0.00040306808970
                   +1 :               0.00008363130098
                   +2 :              -0.00019703344248
              5 vec=    -5.186775      8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :              -0.00033693414915
                2p
                   -1 :              -0.00006916090809
                   +0 :              -0.00010005214848
                   +1 :              -0.00002887771371
                3s
                   +0 :               0.00198151755119
                4s
                   +0 :              -0.00037663641484
                3p
                   -1 :               0.00058417116550
                   +0 :               0.00102654913033
                   +1 :               0.00003784174515
                4p
                   -1 :              -0.00004035473281
                   +0 :              -0.00012482338506
                   +1 :              -0.00010675769642
                3d
                   -2 :               0.00002579929584
                   -1 :               0.00020658946633
                   +0 :              -0.00006131650782
                   +1 :              -0.00003059931736
                   +2 :              -0.00013244439760
              6 vec=    10.373550      0.000000      9.112784   |vec|=   13.807729
                2s
                   +0 :              -0.00053145330127
                2p
                   -1 :              -0.00006408655272
                   +0 :               0.00000022528394
                   +1 :              -0.00014590021891
                3s
                   +0 :               0.00296580710251
                4s
                   +0 :              -0.00096149191671
                3p
                   -1 :               0.00023417235852
                   +0 :              -0.00070992322265
                   +1 :               0.00138945484933
                4p
                   -1 :              -0.00004842920169
                   +0 :               0.00001446069038
                   +1 :              -0.00051425033761
                3d
                   -2 :              -0.00009147333113
                   -1 :               0.00001273200688
                   +0 :               0.00046438459752
                   +1 :              -0.00013790904989
                   +2 :              -0.00005850033912
              7 vec=    -5.186775     -0.000000    -15.434758   |vec|=   16.282948
                2s
                   +0 :               0.00000124949497
                2p
                   -1 :               0.00000483877959
                   +0 :              -0.00001332581156
                   +1 :              -0.00005570889881
                3s
                   +0 :               0.00067147825268
                4s
                   +0 :              -0.00010576124805
                3p
                   -1 :              -0.00000693778079
                   +0 :              -0.00010820917200
                   +1 :               0.00035126534918
                4p
                   -1 :              -0.00000787574765
                   +0 :               0.00005984272793
                   +1 :              -0.00008442325300
                3d
                   -2 :               0.00002676171993
                   -1 :               0.00007985043984
                   +0 :              -0.00001787299787
                   +1 :              -0.00000799687032
                   +2 :               0.00000348688251
              8 vec=     2.593388     -4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :              -0.00002307167275
                2p
                   -1 :               0.00006904835612
                   +0 :               0.00004219092272
                   +1 :               0.00001238960698
                3s
                   +0 :              -0.00021504786101
                4s
                   +0 :              -0.00001825485170
                3p
                   -1 :              -0.00013697550031
                   +0 :              -0.00016248571047
                   +1 :               0.00001348180438
                4p
                   -1 :               0.00006447352370
                   +0 :               0.00006892400048
                   +1 :               0.00001391753576
                3d
                   -2 :              -0.00001809885056
                   -1 :               0.00005296361417
                   +0 :               0.00001297689156
                   +1 :               0.00000256986611
                   +2 :              -0.00000529657467
              9 vec=     2.593388      4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :               0.00002182217778
                2p
                   -1 :              -0.00002203146812
                   +0 :              -0.00002886511115
                   +1 :               0.00003394747852
                3s
                   +0 :              -0.00045643039167
                4s
                   +0 :               0.00012401609975
                3p
                   -1 :               0.00022057249023
                   +0 :               0.00027069488247
                   +1 :               0.00006975760822
                4p
                   -1 :              -0.00005686673327
                   +0 :              -0.00012876672841
                   +1 :               0.00002740344831
                3d
                   -2 :              -0.00000327526237
                   -1 :               0.00005725596483
                   +0 :               0.00000489610631
                   +1 :              -0.00002599817615
                   +2 :               0.00003794554759
             10 vec=   -12.966938     -4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00033084784544
                2p
                   -1 :              -0.00002863888046
                   +0 :               0.00013938793949
                   +1 :              -0.00007717911963
                3s
                   +0 :              -0.00216773027978
                4s
                   +0 :               0.00041757856237
                3p
                   -1 :               0.00020125173744
                   +0 :              -0.00080471300877
                   +1 :               0.00032288568961
                4p
                   -1 :               0.00004026213216
                   +0 :               0.00012747788768
                   +1 :              -0.00010786156592
                3d
                   -2 :              -0.00001447123367
                   -1 :               0.00006074643733
                   +0 :              -0.00013748764863
                   +1 :               0.00017656023686
                   +2 :              -0.00001255112295
             11 vec=   -12.966938      4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00004418509580
                2p
                   -1 :              -0.00000044448744
                   +0 :               0.00000553881508
                   +1 :               0.00009729180300
                3s
                   +0 :              -0.00028522009882
                4s
                   +0 :              -0.00006124668757
                3p
                   -1 :              -0.00030675311804
                   +0 :               0.00041004108164
                   +1 :              -0.00047073895676
                4p
                   -1 :              -0.00004129022260
                   +0 :              -0.00010152893020
                   +1 :               0.00017535501090
                3d
                   -2 :              -0.00000310900224
                   -1 :              -0.00010381843312
                   +0 :              -0.00005913139241
                   +1 :              -0.00013299364485
                   +2 :               0.00004813624674
             12 vec=     2.593388    -13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00011814885527
                2p
                   -1 :              -0.00004708068360
                   +0 :              -0.00001762912424
                   +1 :               0.00005064118274
                3s
                   +0 :               0.00105615150200
                4s
                   +0 :              -0.00007912388641
                3p
                   -1 :              -0.00009899233745
                   +0 :              -0.00025169370243
                   +1 :              -0.00029059896897
                4p
                   -1 :              -0.00008958850714
                   +0 :               0.00006057755445
                   +1 :               0.00002660210000
                3d
                   -2 :               0.00003471144214
                   -1 :               0.00005975895031
                   +0 :               0.00004565949433
                   +1 :              -0.00005330942247
                   +2 :               0.00003908322432
             13 vec=     2.593388     13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00002115299344
                2p
                   -1 :              -0.00000792168956
                   +0 :               0.00000430443905
                   +1 :               0.00000538418910
                3s
                   +0 :              -0.00044581023335
                4s
                   +0 :               0.00013630800809
                3p
                   -1 :              -0.00014520571047
                   +0 :              -0.00019997952808
                   +1 :              -0.00002998683065
                4p
                   -1 :               0.00004365805109
                   +0 :               0.00004002508566
                   +1 :               0.00001995480336
                3d
                   -2 :              -0.00002042348481
                   -1 :              -0.00003635213672
                   +0 :              -0.00003949976288
                   +1 :              -0.00002389949090
                   +2 :               0.00001958406522
             14 vec=    10.373550     -8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00035200083888
                2p
                   -1 :               0.00005322163777
                   +0 :              -0.00014369237854
                   +1 :              -0.00005383907889
                3s
                   +0 :               0.00261354051314
                4s
                   +0 :              -0.00055388657047
                3p
                   -1 :              -0.00027757355335
                   +0 :               0.00100469253685
                   +1 :               0.00044649038069
                4p
                   -1 :               0.00015265231444
                   +0 :              -0.00016750297334
                   +1 :              -0.00004689433334
                3d
                   -2 :              -0.00004527724855
                   -1 :              -0.00016140606637
                   +0 :               0.00017698741151
                   +1 :               0.00016042020478
                   +2 :              -0.00000163832956
             15 vec=    10.373550      8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00007396375948
                2p
                   -1 :               0.00001663803673
                   +0 :               0.00001209030916
                   +1 :               0.00003357836226
                3s
                   +0 :              -0.00077093140318
                4s
                   +0 :               0.00014037057398
                3p
                   -1 :              -0.00035887853341
                   +0 :              -0.00015834737921
                   +1 :              -0.00020074284897
                4p
                   -1 :               0.00006338443485
                   +0 :               0.00004095137575
                   +1 :               0.00005915101409
                3d
                   -2 :               0.00000796107254
                   -1 :              -0.00009103830226
                   +0 :               0.00001347189809
                   +1 :               0.00004851063588
                   +2 :               0.00001085626992
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 13)  npairs=  14
              1 vec=     2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :              -0.01326222463895
                2s
                   +0 :               0.16209596041288
                3s
                   +0 :              -0.02063815445945
                2p
                   -1 :              -0.01421728526777
                   +0 :               0.02373481703143
                   +1 :               0.01338404167141
                3p
                   -1 :               0.00208131683608
                   +0 :              -0.01582822343154
                   +1 :              -0.01069015907654
                3d
                   -2 :              -0.00623628782040
                   -1 :              -0.00671907043146
                   +0 :               0.00066019513761
                   +1 :               0.00857712333034
                   +2 :              -0.00109229433003
              2 vec=    -5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :               0.00002023600156
                2s
                   +0 :              -0.00032803791427
                3s
                   +0 :               0.00168523075420
                2p
                   -1 :              -0.00989090954934
                   +0 :               0.00450324365004
                   +1 :               0.00125735938877
                3p
                   -1 :               0.00356554426951
                   +0 :              -0.00151997586965
                   +1 :              -0.00049838560001
                3d
                   -2 :               0.00011003975823
                   -1 :               0.00014367815163
                   +0 :               0.00044094290873
                   +1 :               0.00014489961163
                   +2 :               0.00014291466820
              3 vec=    -5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00185807484027
                2s
                   +0 :              -0.01605527024022
                3s
                   +0 :               0.00170248336000
                2p
                   -1 :               0.00683436659489
                   +0 :               0.00056391897185
                   +1 :               0.01183147661741
                3p
                   -1 :               0.00192999623627
                   +0 :               0.00233485964034
                   +1 :              -0.00435349551811
                3d
                   -2 :              -0.00079353792114
                   -1 :              -0.00059443625371
                   +0 :               0.00041477394271
                   +1 :              -0.00042113003405
                   +2 :               0.00074300511860
              4 vec=     2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00056011405053
                2s
                   +0 :              -0.00594903745381
                3s
                   +0 :               0.00073349094982
                2p
                   -1 :              -0.00556204989622
                   +0 :               0.00198979388461
                   +1 :               0.00073533704834
                3p
                   -1 :               0.00091413396108
                   +0 :              -0.00180575565696
                   +1 :               0.00037284573703
                3d
                   -2 :              -0.00001853332302
                   -1 :              -0.00014625828838
                   +0 :               0.00008262189233
                   +1 :               0.00003476586332
                   +2 :               0.00025956544609
              5 vec=     2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00006881091024
                2s
                   +0 :               0.00055395759156
                3s
                   +0 :              -0.00021016264524
                2p
                   -1 :               0.00006162409003
                   +0 :               0.00003921887300
                   +1 :              -0.00198620546369
                3p
                   -1 :              -0.00004949241270
                   +0 :               0.00034389825859
                   +1 :               0.00032755534023
                3d
                   -2 :               0.00003380274575
                   -1 :              -0.00012614205836
                   +0 :               0.00004162966909
                   +1 :              -0.00001093663242
                   +2 :               0.00011136526778
              6 vec=    10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00027311870894
                2s
                   +0 :              -0.00286901730701
                3s
                   +0 :              -0.00002696226934
                2p
                   -1 :               0.00214911324826
                   +0 :              -0.00072527334574
                   +1 :              -0.00148593706211
                3p
                   -1 :              -0.00222095110314
                   +0 :              -0.00088092201313
                   +1 :               0.00028126170130
                3d
                   -2 :              -0.00019288794944
                   -1 :              -0.00033572737068
                   +0 :              -0.00002304988640
                   +1 :              -0.00001265620146
                   +2 :              -0.00009107213183
              7 vec=    10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :              -0.00011229165487
                2s
                   +0 :               0.00184268665486
                3s
                   +0 :               0.00049629353639
                2p
                   -1 :               0.00190556391706
                   +0 :               0.00027393823371
                   +1 :              -0.00052014708296
                3p
                   -1 :              -0.00136424344959
                   +0 :              -0.00018051343502
                   +1 :               0.00127975440046
                3d
                   -2 :               0.00002722123435
                   -1 :               0.00006748943108
                   +0 :              -0.00010662935852
                   +1 :               0.00015450585146
                   +2 :              -0.00000250677122
              8 vec=   -13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00028968855995
                2s
                   +0 :              -0.00307670129792
                3s
                   +0 :               0.00040056000663
                2p
                   -1 :              -0.00100059794710
                   +0 :               0.00095421787426
                   +1 :               0.00268506246806
                3p
                   -1 :               0.00022677418450
                   +0 :              -0.00017602738468
                   +1 :              -0.00039856791197
                3d
                   -2 :               0.00002393301505
                   -1 :              -0.00006806343018
                   +0 :               0.00006305711105
                   +1 :               0.00004570851477
                   +2 :              -0.00014537413357
              9 vec=    -5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00028940900436
                2s
                   +0 :               0.00278494530350
                3s
                   +0 :              -0.00028940658250
                2p
                   -1 :               0.00126330740837
                   +0 :               0.00007150900081
                   +1 :              -0.00025012034607
                3p
                   -1 :               0.00020812734272
                   +0 :               0.00051100065367
                   +1 :              -0.00006358772716
                3d
                   -2 :              -0.00001489132710
                   -1 :               0.00010253091257
                   +0 :               0.00000270679244
                   +1 :               0.00003998657959
                   +2 :              -0.00004672597402
             10 vec=   -13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00013903407195
                2s
                   +0 :               0.00122243848894
                3s
                   +0 :              -0.00029468247679
                2p
                   -1 :              -0.00034003799059
                   +0 :               0.00004746633320
                   +1 :               0.00011164387598
                3p
                   -1 :               0.00031721848305
                   +0 :               0.00017904473208
                   +1 :              -0.00034848147758
                3d
                   -2 :               0.00000445828740
                   -1 :               0.00001247678132
                   +0 :               0.00002170265644
                   +1 :               0.00000683087189
                   +2 :              -0.00001590601907
             11 vec=    -5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00004498949968
                2s
                   +0 :              -0.00059946620082
                3s
                   +0 :               0.00004077573176
                2p
                   -1 :               0.00023791819146
                   +0 :              -0.00001862763237
                   +1 :              -0.00063837574345
                3p
                   -1 :              -0.00005249650815
                   +0 :               0.00004852387671
                   +1 :               0.00018728648028
                3d
                   -2 :               0.00001871109083
                   -1 :              -0.00001863122366
                   +0 :               0.00000247827900
                   +1 :              -0.00000162928821
                   +2 :              -0.00000521872448
             12 vec=    10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00008980444154
                2s
                   +0 :              -0.00094406709928
                3s
                   +0 :               0.00008668063732
                2p
                   -1 :               0.00006347966534
                   +0 :              -0.00034111803855
                   +1 :              -0.00015879055315
                3p
                   -1 :              -0.00015406577060
                   +0 :              -0.00002171409235
                   +1 :               0.00001715720768
                3d
                   -2 :              -0.00000897684098
                   -1 :              -0.00001827510984
                   +0 :              -0.00002362618167
                   +1 :              -0.00002247946588
                   +2 :               0.00001345486767
             13 vec=   -13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00008132781007
                2s
                   +0 :              -0.00082059758922
                3s
                   +0 :               0.00013838601999
                2p
                   -1 :               0.00010969101658
                   +0 :               0.00014973244234
                   +1 :               0.00050144494913
                3p
                   -1 :              -0.00004947653260
                   +0 :               0.00003827817116
                   +1 :              -0.00009272882801
                3d
                   -2 :               0.00001440178140
                   -1 :              -0.00002322679864
                   +0 :               0.00000568361902
                   +1 :              -0.00000325191557
                   +2 :              -0.00000768184592
             14 vec=     2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00001277195131
                2s
                   +0 :              -0.00008789015887
                3s
                   +0 :               0.00002585687649
                2p
                   -1 :              -0.00015922315186
                   +0 :               0.00004150429165
                   +1 :               0.00015285003640
                3p
                   -1 :               0.00007823623935
                   +0 :              -0.00002085470759
                   +1 :               0.00000541414222
                3d
                   -2 :               0.00000393597001
                   -1 :               0.00000166196618
                   +0 :               0.00000008104849
                   +1 :               0.00000331050485
                   +2 :              -0.00000388591256
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 14)  npairs=  14
              1 vec=    -2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :               0.01181949516659
                2s
                   +0 :              -0.14805777968352
                3s
                   +0 :               0.01595510710668
                2p
                   -1 :               0.02005773657984
                   +0 :              -0.02532399526923
                   +1 :               0.01488757377993
                3p
                   -1 :              -0.00646691239140
                   +0 :               0.01795980745603
                   +1 :              -0.01179362182344
                3d
                   -2 :              -0.00563919127986
                   -1 :               0.00842212303077
                   +0 :              -0.00057593752908
                   +1 :               0.00760403467776
                   +2 :              -0.00000850275637
              2 vec=     5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :              -0.00051567854720
                2s
                   +0 :               0.00334878769583
                3s
                   +0 :              -0.00306865841544
                2p
                   -1 :               0.00841064385760
                   +0 :              -0.00234009647894
                   +1 :               0.00511611485292
                3p
                   -1 :              -0.00201740093236
                   +0 :              -0.00056722623245
                   +1 :              -0.00365753104401
                3d
                   -2 :               0.00015594443498
                   -1 :              -0.00000894791239
                   +0 :              -0.00049670545264
                   +1 :               0.00009844427213
                   +2 :              -0.00009696196976
              3 vec=    -2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00088004115674
                2s
                   +0 :               0.00849350977958
                3s
                   +0 :              -0.00127612816242
                2p
                   -1 :               0.00660340940744
                   +0 :              -0.00067784374487
                   +1 :              -0.00012962424755
                3p
                   -1 :              -0.00185673896579
                   +0 :               0.00096653113535
                   +1 :               0.00068328287199
                3d
                   -2 :              -0.00014537056855
                   -1 :              -0.00007241619547
                   +0 :               0.00003465967343
                   +1 :               0.00007082850204
                   +2 :              -0.00024252730255
              4 vec=     5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00172205013992
                2s
                   +0 :               0.01706341570015
                3s
                   +0 :              -0.00206376802169
                2p
                   -1 :              -0.00950592102769
                   +0 :              -0.00504738181738
                   +1 :               0.01167311841402
                3p
                   -1 :               0.00078461419058
                   +0 :               0.00157485076167
                   +1 :              -0.00381523998567
                3d
                   -2 :              -0.00064063332545
                   -1 :               0.00015942026095
                   +0 :              -0.00049669728378
                   +1 :              -0.00017974582196
                   +2 :              -0.00061275287549
              5 vec=   -10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00020865766443
                2s
                   +0 :               0.00238622119988
                3s
                   +0 :              -0.00024126634411
                2p
                   -1 :              -0.00103984370718
                   +0 :               0.00060014639735
                   +1 :              -0.00148025250645
                3p
                   -1 :               0.00035386892562
                   +0 :               0.00004437963924
                   +1 :               0.00077422260375
                3d
                   -2 :              -0.00002523822076
                   -1 :               0.00000126967418
                   +0 :               0.00001500963489
                   +1 :              -0.00001338766842
                   +2 :               0.00010502864886
              6 vec=    -2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00005190671805
                2s
                   +0 :              -0.00054923621865
                3s
                   +0 :               0.00013494784946
                2p
                   -1 :               0.00050968102028
                   +0 :               0.00001630824261
                   +1 :              -0.00211042354168
                3p
                   -1 :              -0.00056472542554
                   +0 :               0.00000117187501
                   +1 :               0.00071219412029
                3d
                   -2 :               0.00000452594069
                   -1 :               0.00000732080214
                   +0 :              -0.00003899174685
                   +1 :               0.00003340897271
                   +2 :              -0.00009042638332
              7 vec=   -10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :               0.00008083431558
                2s
                   +0 :              -0.00182969191916
                3s
                   +0 :              -0.00062080076265
                2p
                   -1 :              -0.00079533159040
                   +0 :              -0.00050393086597
                   +1 :              -0.00114747090545
                3p
                   -1 :               0.00067530839584
                   +0 :               0.00046700272180
                   +1 :               0.00163225597061
                3d
                   -2 :               0.00005403402833
                   -1 :               0.00015113017698
                   +0 :               0.00009751597879
                   +1 :              -0.00002154600267
                   +2 :              -0.00003166755079
              8 vec=     5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00016225232688
                2s
                   +0 :              -0.00177295389517
                3s
                   +0 :               0.00034184588188
                2p
                   -1 :              -0.00103766929453
                   +0 :              -0.00039959896929
                   +1 :              -0.00025690428138
                3p
                   -1 :               0.00017248291965
                   +0 :               0.00004750467975
                   +1 :               0.00003894745049
                3d
                   -2 :              -0.00002300018483
                   -1 :               0.00000649844478
                   +0 :               0.00001500417320
                   +1 :               0.00001125336592
                   +2 :               0.00000265228712
              9 vec=    13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00023668154530
                2s
                   +0 :               0.00242889775593
                3s
                   +0 :              -0.00069765671060
                2p
                   -1 :               0.00061168222397
                   +0 :              -0.00112903024829
                   +1 :               0.00268522224196
                3p
                   -1 :               0.00032621632064
                   +0 :              -0.00009458483761
                   +1 :              -0.00112051571732
                3d
                   -2 :               0.00008884548330
                   -1 :               0.00003493679761
                   +0 :              -0.00004667250460
                   +1 :              -0.00001319107025
                   +2 :               0.00007968783781
             10 vec=    13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :               0.00014386751289
                2s
                   +0 :              -0.00122917028220
                3s
                   +0 :               0.00032710062788
                2p
                   -1 :              -0.00020022831344
                   +0 :              -0.00002640178490
                   +1 :               0.00032100018399
                3p
                   -1 :               0.00006889270285
                   +0 :              -0.00017432986134
                   +1 :              -0.00046643869303
                3d
                   -2 :               0.00002085100124
                   -1 :               0.00001118219304
                   +0 :              -0.00002978096642
                   +1 :              -0.00000354701475
                   +2 :               0.00000118553454
             11 vec=   -10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00015414454280
                2s
                   +0 :               0.00161039487937
                3s
                   +0 :              -0.00019456037785
                2p
                   -1 :               0.00046966503585
                   +0 :               0.00055070359434
                   +1 :              -0.00054660247585
                3p
                   -1 :              -0.00025841129521
                   +0 :              -0.00012606380336
                   +1 :               0.00026745592629
                3d
                   -2 :              -0.00002605427276
                   -1 :              -0.00000672502647
                   +0 :               0.00003088569118
                   +1 :              -0.00000144089786
                   +2 :              -0.00000720514027
             12 vec=     5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00002487380578
                2s
                   +0 :               0.00045162098960
                3s
                   +0 :              -0.00000907551076
                2p
                   -1 :              -0.00030770982924
                   +0 :               0.00003240211572
                   +1 :              -0.00070893660171
                3p
                   -1 :               0.00014720901263
                   +0 :              -0.00002731273566
                   +1 :               0.00021153577611
                3d
                   -2 :               0.00002717923384
                   -1 :              -0.00000290945416
                   +0 :               0.00000830526159
                   +1 :              -0.00000165804837
                   +2 :               0.00001621707388
             13 vec=    -2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00003943725175
                2s
                   +0 :               0.00038798197891
                3s
                   +0 :              -0.00008617492986
                2p
                   -1 :               0.00016243844332
                   +0 :              -0.00000146589921
                   +1 :               0.00028214266654
                3p
                   -1 :              -0.00003007541924
                   +0 :               0.00003776627934
                   +1 :              -0.00005036420258
                3d
                   -2 :               0.00000276689224
                   -1 :              -0.00000196988263
                   +0 :               0.00000200300899
                   +1 :              -0.00000091824241
                   +2 :               0.00000584178264
             14 vec=    13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00009152637747
                2s
                   +0 :               0.00087837154909
                3s
                   +0 :              -0.00021152698457
                2p
                   -1 :              -0.00008619771762
                   +0 :              -0.00020988907936
                   +1 :               0.00064232099001
                3p
                   -1 :               0.00004420760385
                   +0 :              -0.00002027977790
                   +1 :              -0.00021254457757
                3d
                   -2 :               0.00001693933810
                   -1 :              -0.00000915680601
                   +0 :              -0.00000608958567
                   +1 :               0.00000450987215
                   +2 :              -0.00000590106421
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 15)  npairs=  14
              1 vec=     0.000000      2.752623      2.510723   |vec|=    3.725676
                1s
                   +0 :               0.00144272947236
                2s
                   +0 :              -0.01403818072936
                3s
                   +0 :               0.00468304735277
                2p
                   -1 :               0.00422232265742
                   +0 :               0.00158917823781
                   +1 :              -0.01554723190963
                3p
                   -1 :              -0.00314842454861
                   +0 :              -0.00213158402449
                   +1 :              -0.00383890678162
                3d
                   -2 :              -0.00687633058533
                   -1 :               0.00000880680639
                   +0 :              -0.00008425760853
                   +1 :              -0.00502207917786
                   +2 :              -0.00003329777058
              2 vec=     0.000000     -6.231135      2.510723   |vec|=    6.717944
                1s
                   +0 :               0.00049544254564
                2s
                   +0 :              -0.00302074978156
                3s
                   +0 :               0.00138342766124
                2p
                   -1 :               0.00260164741308
                   +0 :              -0.00216314717110
                   +1 :              -0.01266287305828
                3p
                   -1 :              -0.00196182854018
                   +0 :               0.00208720210210
                   +1 :               0.00275701405074
                3d
                   -2 :               0.00034073135886
                   -1 :               0.00002713361547
                   +0 :               0.00005576254391
                   +1 :               0.00025384999060
                   +2 :               0.00006273096543
              3 vec=    -7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00116193608939
                2s
                   +0 :              -0.01111437824634
                3s
                   +0 :               0.00133027707187
                2p
                   -1 :               0.00193841106177
                   +0 :               0.00305758793278
                   +1 :               0.00961972032029
                3p
                   -1 :              -0.00277761455326
                   +0 :               0.00023090489530
                   +1 :              -0.00160902971278
                3d
                   -2 :               0.00042586650244
                   -1 :              -0.00017919158258
                   +0 :               0.00041407539145
                   +1 :              -0.00033721536843
                   +2 :              -0.00071534812049
              4 vec=     7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00097803368352
                2s
                   +0 :               0.00756176046065
                3s
                   +0 :              -0.00042635519758
                2p
                   -1 :              -0.00363972920512
                   +0 :               0.00011392477302
                   +1 :               0.00605094097645
                3p
                   -1 :               0.00439860667430
                   +0 :              -0.00330139077569
                   +1 :               0.00144430255933
                3d
                   -2 :               0.00038404186813
                   -1 :               0.00009262236527
                   +0 :              -0.00044943361614
                   +1 :              -0.00062723339772
                   +2 :               0.00081156830127
              5 vec=    -7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00032502542699
                2s
                   +0 :               0.00341825352566
                3s
                   +0 :              -0.00010798558012
                2p
                   -1 :               0.00078857597864
                   +0 :               0.00070896510313
                   +1 :              -0.00037839034468
                3p
                   -1 :              -0.00101963984218
                   +0 :               0.00087975013812
                   +1 :              -0.00093760560040
                3d
                   -2 :              -0.00009474023898
                   -1 :              -0.00012430967321
                   +0 :               0.00006204163325
                   +1 :              -0.00028671204676
                   +2 :               0.00008021618634
              6 vec=     7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00027746857467
                2s
                   +0 :              -0.00294017879144
                3s
                   +0 :               0.00045142898935
                2p
                   -1 :              -0.00005094169448
                   +0 :              -0.00063936527035
                   +1 :              -0.00077932989124
                3p
                   -1 :               0.00053901345370
                   +0 :              -0.00038827789783
                   +1 :               0.00020156780611
                3d
                   -2 :               0.00000976993545
                   -1 :              -0.00006455885153
                   +0 :              -0.00005663930397
                   +1 :              -0.00012250394754
                   +2 :               0.00005706598146
              7 vec=     0.000000     11.736381      2.510723   |vec|=   12.001932
                1s
                   +0 :               0.00003145733929
                2s
                   +0 :              -0.00001299473570
                3s
                   +0 :               0.00012450722627
                2p
                   -1 :               0.00001183779665
                   +0 :               0.00022999263225
                   +1 :               0.00150523512822
                3p
                   -1 :              -0.00003919221225
                   +0 :              -0.00028648928678
                   +1 :              -0.00031029852495
                3d
                   -2 :               0.00006588160724
                   -1 :              -0.00004315557402
                   +0 :               0.00000911337973
                   +1 :              -0.00000595508635
                   +2 :               0.00000613339972
              8 vec=    -7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00052609054966
                2s
                   +0 :              -0.00521384305943
                3s
                   +0 :               0.00098706329310
                2p
                   -1 :               0.00347957606621
                   +0 :               0.00105752124748
                   +1 :               0.00178187491138
                3p
                   -1 :              -0.00064815465776
                   +0 :              -0.00041641581606
                   +1 :              -0.00069431977703
                3d
                   -2 :              -0.00007250049433
                   -1 :               0.00002268065942
                   +0 :               0.00004396571216
                   +1 :               0.00007193597537
                   +2 :               0.00010631964501
              9 vec=     7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00045194088683
                2s
                   +0 :               0.00484965519309
                3s
                   +0 :              -0.00074240588852
                2p
                   -1 :              -0.00356695156291
                   +0 :              -0.00055461890497
                   +1 :               0.00124618382196
                3p
                   -1 :               0.00057852797052
                   +0 :               0.00012852270494
                   +1 :              -0.00013279261617
                3d
                   -2 :              -0.00012772822564
                   -1 :              -0.00006062152690
                   +0 :              -0.00007806128425
                   +1 :              -0.00003609153752
                   +2 :              -0.00011200626660
             10 vec=     0.000000    -15.214893      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00000483344094
                2s
                   +0 :               0.00000673179326
                3s
                   +0 :              -0.00003241815109
                2p
                   -1 :              -0.00008882527084
                   +0 :              -0.00002106454830
                   +1 :               0.00009524329788
                3p
                   -1 :               0.00009090164781
                   +0 :              -0.00000471487074
                   +1 :              -0.00019240365124
                3d
                   -2 :              -0.00000214707530
                   -1 :               0.00000284197372
                   +0 :               0.00000807830998
                   +1 :               0.00000276307491
                   +2 :               0.00000683626436
             11 vec=   -15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00006493063576
                2s
                   +0 :               0.00049244610968
                3s
                   +0 :              -0.00007760512656
                2p
                   -1 :              -0.00059855553579
                   +0 :               0.00030871592283
                   +1 :              -0.00011240404551
                3p
                   -1 :               0.00016490839923
                   +0 :               0.00004902682800
                   +1 :              -0.00014656512390
                3d
                   -2 :               0.00000670905568
                   -1 :               0.00000743959451
                   +0 :               0.00001532092008
                   +1 :              -0.00002537580529
                   +2 :               0.00004614805007
             12 vec=    15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00010915504312
                2s
                   +0 :              -0.00101092867856
                3s
                   +0 :               0.00015378464609
                2p
                   -1 :               0.00043326959479
                   +0 :              -0.00053207596197
                   +1 :              -0.00079318776414
                3p
                   -1 :              -0.00008602512483
                   +0 :               0.00007753992666
                   +1 :               0.00040569863990
                3d
                   -2 :              -0.00000195130443
                   -1 :              -0.00001251497424
                   +0 :              -0.00003336397018
                   +1 :              -0.00001184616227
                   +2 :              -0.00004497987445
             13 vec=   -15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00007875442616
                2s
                   +0 :              -0.00079048139023
                3s
                   +0 :               0.00018567010809
                2p
                   -1 :               0.00030118384549
                   +0 :               0.00016838478771
                   +1 :               0.00033434363203
                3p
                   -1 :              -0.00012753586671
                   +0 :               0.00004113448549
                   +1 :              -0.00007409555488
                3d
                   -2 :               0.00001218282658
                   -1 :              -0.00000270873737
                   +0 :               0.00000600853718
                   +1 :               0.00001327952005
                   +2 :               0.00000636775872
             14 vec=    15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00004189055832
                2s
                   +0 :               0.00043261561031
                3s
                   +0 :              -0.00005221109013
                2p
                   -1 :              -0.00005385661788
                   +0 :              -0.00014826654313
                   +1 :               0.00034611319628
                3p
                   -1 :              -0.00000308713407
                   +0 :              -0.00007604445050
                   +1 :              -0.00008834837233
                3d
                   -2 :              -0.00000312746907
                   -1 :              -0.00001057732039
                   +0 :              -0.00000768662801
                   +1 :              -0.00002049410826
                   +2 :              -0.00001099614122
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 16)  npairs=  13
              1 vec=    -2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :              -0.00050667357613
                2s
                   +0 :               0.00444035482585
                3s
                   +0 :              -0.00111748680969
                2p
                   -1 :              -0.00104519290683
                   +0 :              -0.00109360310535
                   +1 :               0.00323003284460
                3p
                   -1 :              -0.00001469615008
                   +0 :               0.00024479460912
                   +1 :              -0.00118734757517
                3d
                   -2 :              -0.00005780932875
                   -1 :               0.00010809562256
                   +0 :              -0.00003109754298
                   +1 :               0.00002414458251
                   +2 :               0.00004731930555
              2 vec=     5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :               0.00017840754160
                2s
                   +0 :              -0.00146087389820
                3s
                   +0 :               0.00047085937291
                2p
                   -1 :               0.00044494239055
                   +0 :               0.00163846836646
                   +1 :              -0.00070011270731
                3p
                   -1 :               0.00005624756931
                   +0 :              -0.00118065745163
                   +1 :               0.00097439539998
                3d
                   -2 :              -0.00004790852717
                   -1 :              -0.00006104397552
                   +0 :               0.00003088160423
                   +1 :              -0.00013537139427
                   +2 :               0.00003219208524
              3 vec=    -2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00002078880790
                2s
                   +0 :               0.00039536116794
                3s
                   +0 :              -0.00000445451291
                2p
                   -1 :              -0.00015609950440
                   +0 :              -0.00055634669461
                   +1 :              -0.00010416563665
                3p
                   -1 :               0.00005790527779
                   +0 :               0.00021350935855
                   +1 :              -0.00008555569709
                3d
                   -2 :               0.00001408479182
                   -1 :               0.00003705674491
                   +0 :              -0.00001796391921
                   +1 :               0.00004607865008
                   +2 :               0.00001807121496
              4 vec=     5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00081887344212
                2s
                   +0 :              -0.00862584819804
                3s
                   +0 :               0.00142479691131
                2p
                   -1 :              -0.00263687827888
                   +0 :               0.00376853313804
                   +1 :              -0.00047083367645
                3p
                   -1 :               0.00055415621013
                   +0 :              -0.00113934397287
                   +1 :               0.00041581059820
                3d
                   -2 :              -0.00002124273183
                   -1 :               0.00016793713198
                   +0 :              -0.00006686932383
                   +1 :              -0.00000906561199
                   +2 :               0.00016837396056
              5 vec=   -10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00009056852334
                2s
                   +0 :               0.00100321731667
                3s
                   +0 :              -0.00013502340045
                2p
                   -1 :              -0.00047898098316
                   +0 :              -0.00021065196331
                   +1 :               0.00014378779957
                3p
                   -1 :              -0.00003251345894
                   +0 :               0.00021030848967
                   +1 :              -0.00013797941182
                3d
                   -2 :               0.00001450243422
                   -1 :               0.00000244216804
                   +0 :              -0.00001344105479
                   +1 :              -0.00001317805946
                   +2 :              -0.00001904707112
              6 vec=    -2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00007266758084
                2s
                   +0 :               0.00089061870522
                3s
                   +0 :              -0.00003946812328
                2p
                   -1 :               0.00045613364005
                   +0 :              -0.00025426788911
                   +1 :               0.00064792704124
                3p
                   -1 :              -0.00007413205440
                   +0 :               0.00002296273221
                   +1 :              -0.00010813239355
                3d
                   -2 :               0.00003306244940
                   -1 :              -0.00000484779513
                   +0 :               0.00002597922339
                   +1 :               0.00000764179796
                   +2 :              -0.00001203839615
              7 vec=    -2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :              -0.00001114686523
                2s
                   +0 :               0.00011637411224
                3s
                   +0 :               0.00002097959289
                2p
                   -1 :               0.00018649404040
                   +0 :              -0.00008733522414
                   +1 :              -0.00005218665797
                3p
                   -1 :              -0.00002937308274
                   +0 :               0.00025659581360
                   +1 :               0.00005404487857
                3d
                   -2 :               0.00001071995941
                   -1 :               0.00000017445924
                   +0 :               0.00002908765827
                   +1 :               0.00000602454588
                   +2 :              -0.00000879100569
              8 vec=   -10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :              -0.00015701800633
                2s
                   +0 :               0.00198746952594
                3s
                   +0 :              -0.00004115787243
                2p
                   -1 :               0.00026105526559
                   +0 :              -0.00074246612553
                   +1 :              -0.00066518941445
                3p
                   -1 :              -0.00011088846712
                   +0 :              -0.00000123282995
                   +1 :               0.00007778072097
                3d
                   -2 :               0.00004369075139
                   -1 :               0.00004800627651
                   +0 :               0.00002445616881
                   +1 :               0.00006662840206
                   +2 :              -0.00000528478945
              9 vec=     5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :              -0.00000759230055
                2s
                   +0 :               0.00028429022916
                3s
                   +0 :               0.00013517088770
                2p
                   -1 :               0.00004228862652
                   +0 :               0.00032784942301
                   +1 :              -0.00028024465104
                3p
                   -1 :               0.00016615585681
                   +0 :              -0.00005734751193
                   +1 :               0.00008469664478
                3d
                   -2 :               0.00000153178169
                   -1 :               0.00002144192848
                   +0 :              -0.00001977314269
                   +1 :              -0.00000040173802
                   +2 :              -0.00002350546882
             10 vec=     5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00000814347507
                2s
                   +0 :              -0.00000171731634
                3s
                   +0 :               0.00003039985676
                2p
                   -1 :               0.00002304780890
                   +0 :              -0.00012575668556
                   +1 :              -0.00001554512350
                3p
                   -1 :              -0.00003968919918
                   +0 :               0.00005265223530
                   +1 :               0.00004562012584
                3d
                   -2 :              -0.00001014054198
                   -1 :              -0.00000570713633
                   +0 :              -0.00000132974821
                   +1 :               0.00000320223193
                   +2 :              -0.00000097491376
             11 vec=    13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00019031512782
                2s
                   +0 :              -0.00186278287708
                3s
                   +0 :               0.00030437128610
                2p
                   -1 :               0.00001088257346
                   +0 :               0.00031613248116
                   +1 :              -0.00066267799171
                3p
                   -1 :               0.00014213881023
                   +0 :              -0.00011653089113
                   +1 :               0.00010590702576
                3d
                   -2 :              -0.00000245703427
                   -1 :              -0.00004067832308
                   +0 :               0.00000306447355
                   +1 :              -0.00001741675856
                   +2 :              -0.00002083892727
             12 vec=    -2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00008256069759
                2s
                   +0 :              -0.00072715883552
                3s
                   +0 :               0.00005612327522
                2p
                   -1 :               0.00034212587352
                   +0 :              -0.00002340454417
                   +1 :              -0.00065966992820
                3p
                   -1 :              -0.00018407853767
                   +0 :              -0.00040157675946
                   +1 :               0.00001607104364
                3d
                   -2 :               0.00001019493229
                   -1 :               0.00000104689126
                   +0 :              -0.00006607177352
                   +1 :              -0.00002029954457
                   +2 :               0.00001410464825
             13 vec=     5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00000552056884
                2s
                   +0 :              -0.00005712118067
                3s
                   +0 :              -0.00005040703889
                2p
                   -1 :               0.00006791543515
                   +0 :              -0.00031003739921
                   +1 :              -0.00041405529816
                3p
                   -1 :              -0.00004108066920
                   +0 :               0.00006540882970
                   +1 :               0.00025935852938
                3d
                   -2 :              -0.00000086821464
                   -1 :              -0.00001537604459
                   +0 :              -0.00002198955827
                   +1 :               0.00000585363583
                   +2 :              -0.00000356328009
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 17)  npairs=  13
              1 vec=     2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :               0.00028355978975
                2s
                   +0 :              -0.00303093420203
                3s
                   +0 :               0.00028006156243
                2p
                   -1 :               0.00247848710644
                   +0 :              -0.00033176138045
                   +1 :               0.00372809527270
                3p
                   -1 :              -0.00101682290675
                   +0 :               0.00108556849567
                   +1 :              -0.00138594722223
                3d
                   -2 :              -0.00007586523464
                   -1 :               0.00004322121851
                   +0 :              -0.00008939662424
                   +1 :              -0.00002268981671
                   +2 :               0.00007314046094
              2 vec=    -5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :               0.00000617607506
                2s
                   +0 :               0.00020678389223
                3s
                   +0 :              -0.00008673849206
                2p
                   -1 :              -0.00135124595572
                   +0 :              -0.00132803444418
                   +1 :              -0.00055066608948
                3p
                   -1 :               0.00087642649129
                   +0 :               0.00126405010123
                   +1 :               0.00081251718103
                3d
                   -2 :              -0.00006818376599
                   -1 :              -0.00010408208519
                   +0 :              -0.00004321701733
                   +1 :              -0.00004871747346
                   +2 :              -0.00004590965496
              3 vec=    -5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00039247971034
                2s
                   +0 :               0.00432318431518
                3s
                   +0 :              -0.00028613501916
                2p
                   -1 :               0.00125801738661
                   +0 :              -0.00138173500198
                   +1 :               0.00034881483965
                3p
                   -1 :               0.00012902540045
                   +0 :              -0.00029072559400
                   +1 :              -0.00006351009098
                3d
                   -2 :              -0.00003316989074
                   -1 :              -0.00022525152078
                   +0 :               0.00004832627164
                   +1 :              -0.00001257870037
                   +2 :              -0.00013801409897
              4 vec=     2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00006674163362
                2s
                   +0 :               0.00060335782623
                3s
                   +0 :              -0.00007441197938
                2p
                   -1 :              -0.00051040897772
                   +0 :              -0.00037310792749
                   +1 :               0.00028720787852
                3p
                   -1 :               0.00034542869396
                   +0 :               0.00015587118044
                   +1 :              -0.00002766834117
                3d
                   -2 :               0.00000686268344
                   -1 :               0.00003602271102
                   +0 :              -0.00000777830856
                   +1 :              -0.00000266434764
                   +2 :               0.00000544571637
              5 vec=     2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00009186443028
                2s
                   +0 :              -0.00087991759773
                3s
                   +0 :               0.00019163929349
                2p
                   -1 :              -0.00031372328296
                   +0 :               0.00018994936936
                   +1 :               0.00064795968288
                3p
                   -1 :              -0.00000761422303
                   +0 :              -0.00013414294620
                   +1 :              -0.00000568727467
                3d
                   -2 :               0.00002755768562
                   -1 :              -0.00001177932967
                   +0 :              -0.00000317630193
                   +1 :              -0.00000374063191
                   +2 :              -0.00000031299746
              6 vec=    10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00013279838424
                2s
                   +0 :              -0.00146863225384
                3s
                   +0 :               0.00017972619314
                2p
                   -1 :               0.00079700506982
                   +0 :               0.00080812068759
                   +1 :              -0.00004399099850
                3p
                   -1 :              -0.00018894387639
                   +0 :              -0.00050203282908
                   +1 :              -0.00009993873895
                3d
                   -2 :               0.00003105414093
                   -1 :               0.00001453778752
                   +0 :              -0.00000034818845
                   +1 :              -0.00001464840271
                   +2 :               0.00001203117716
              7 vec=     2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :               0.00006796802755
                2s
                   +0 :              -0.00054707405801
                3s
                   +0 :               0.00018326559587
                2p
                   -1 :               0.00018512991333
                   +0 :              -0.00030591458565
                   +1 :              -0.00013435368083
                3p
                   -1 :               0.00002199027027
                   +0 :               0.00017200761262
                   +1 :               0.00007219510252
                3d
                   -2 :              -0.00000227789463
                   -1 :               0.00001948215066
                   +0 :               0.00001059799346
                   +1 :               0.00001575327096
                   +2 :               0.00000331779015
              8 vec=    10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00014723865828
                2s
                   +0 :              -0.00196541474755
                3s
                   +0 :               0.00001439950966
                2p
                   -1 :              -0.00030018649635
                   +0 :               0.00077551388253
                   +1 :              -0.00049679482561
                3p
                   -1 :              -0.00006027274318
                   +0 :               0.00000160382594
                   +1 :               0.00004330613089
                3d
                   -2 :               0.00002786213120
                   -1 :               0.00007800536559
                   +0 :              -0.00002567823702
                   +1 :              -0.00000325617423
                   +2 :               0.00002949878474
              9 vec=    -5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :              -0.00001168441035
                2s
                   +0 :              -0.00008964021037
                3s
                   +0 :              -0.00016334418061
                2p
                   -1 :              -0.00039848376789
                   +0 :              -0.00034401549725
                   +1 :              -0.00005510659559
                3p
                   -1 :               0.00022381916652
                   +0 :               0.00011876176585
                   +1 :              -0.00020147116488
                3d
                   -2 :               0.00002593416635
                   -1 :              -0.00000187069626
                   +0 :               0.00001332855542
                   +1 :              -0.00001501338097
                   +2 :              -0.00000738711149
             10 vec=   -13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00018553125742
                2s
                   +0 :               0.00187527529278
                3s
                   +0 :              -0.00032469573812
                2p
                   -1 :              -0.00024036981319
                   +0 :              -0.00004367329343
                   +1 :              -0.00069621807828
                3p
                   -1 :               0.00004542733681
                   +0 :               0.00008493654489
                   +1 :               0.00006724841759
                3d
                   -2 :              -0.00000130748102
                   -1 :              -0.00000869354453
                   +0 :              -0.00001650702521
                   +1 :              -0.00001109592938
                   +2 :               0.00002502547852
             11 vec=    -5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00000868178851
                2s
                   +0 :               0.00005570532453
                3s
                   +0 :              -0.00004470977173
                2p
                   -1 :              -0.00001720071382
                   +0 :              -0.00000183414331
                   +1 :               0.00009649271475
                3p
                   -1 :              -0.00002494361237
                   +0 :               0.00008139933401
                   +1 :              -0.00008157531279
                3d
                   -2 :               0.00000237384824
                   -1 :              -0.00000904166576
                   +0 :              -0.00000971142543
                   +1 :               0.00000564423144
                   +2 :              -0.00000044312247
             12 vec=    -5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00008491162323
                2s
                   +0 :              -0.00068695458595
                3s
                   +0 :               0.00022167041458
                2p
                   -1 :              -0.00031309680538
                   +0 :              -0.00030981885988
                   +1 :              -0.00018750165039
                3p
                   -1 :               0.00015980391742
                   +0 :               0.00030121153291
                   +1 :               0.00007810188109
                3d
                   -2 :              -0.00001129907090
                   -1 :               0.00001908342995
                   +0 :               0.00002014315545
                   +1 :               0.00000732205927
                   +2 :               0.00001381580953
             13 vec=     2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00020074407400
                2s
                   +0 :               0.00198009536769
                3s
                   +0 :              -0.00034554683221
                2p
                   -1 :              -0.00008248009925
                   +0 :               0.00119342873155
                   +1 :              -0.00097992827305
                3p
                   -1 :              -0.00005415623373
                   +0 :              -0.00036134254413
                   +1 :               0.00045708868033
                3d
                   -2 :              -0.00000084415479
                   -1 :              -0.00001893746821
                   +0 :               0.00003353599357
                   +1 :               0.00000438819716
                   +2 :               0.00000694503302
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 18)  npairs=  13
              1 vec=     0.000000     -2.752623     -9.763049   |vec|=   10.143671
                1s
                   +0 :               0.00022311378638
                2s
                   +0 :              -0.00140942062382
                3s
                   +0 :               0.00083742524725
                2p
                   -1 :               0.00114798181521
                   +0 :               0.00142536448580
                   +1 :               0.00042746765235
                3p
                   -1 :              -0.00068775186795
                   +0 :              -0.00133036310479
                   +1 :              -0.00041878016962
                3d
                   -2 :              -0.00008919905821
                   -1 :               0.00003509864104
                   +0 :               0.00012049416722
                   +1 :               0.00005691026486
                   +2 :               0.00004459301005
              2 vec=     0.000000      6.231135     -9.763049   |vec|=   11.582062
                1s
                   +0 :              -0.00018458361666
                2s
                   +0 :               0.00125409000597
                3s
                   +0 :              -0.00038412088085
                2p
                   -1 :              -0.00032372721503
                   +0 :              -0.00031043392228
                   +1 :               0.00093015533946
                3p
                   -1 :               0.00032614638037
                   +0 :              -0.00008339264960
                   +1 :               0.00018316050842
                3d
                   -2 :               0.00000959194451
                   -1 :              -0.00000751853360
                   +0 :               0.00001233541310
                   +1 :              -0.00005477233756
                   +2 :              -0.00002441765675
              3 vec=    -7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00075213180850
                2s
                   +0 :               0.00802249037181
                3s
                   +0 :              -0.00135038493192
                2p
                   -1 :              -0.00091716038457
                   +0 :              -0.00339542521055
                   +1 :              -0.00193338933414
                3p
                   -1 :               0.00006572842451
                   +0 :               0.00098347279243
                   +1 :               0.00037483446000
                3d
                   -2 :               0.00013390997426
                   -1 :               0.00010752357904
                   +0 :               0.00007464763239
                   +1 :               0.00010837625986
                   +2 :               0.00011124984207
              4 vec=     7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00041326851824
                2s
                   +0 :              -0.00471854548312
                3s
                   +0 :               0.00029058953208
                2p
                   -1 :               0.00094325154100
                   +0 :               0.00193808169659
                   +1 :              -0.00110233655003
                3p
                   -1 :               0.00011255739405
                   +0 :               0.00007721623545
                   +1 :              -0.00013612472697
                3d
                   -2 :               0.00012563129756
                   -1 :              -0.00014489614355
                   +0 :              -0.00003036235243
                   +1 :               0.00024391559657
                   +2 :              -0.00010089519755
              5 vec=    -7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00006013080340
                2s
                   +0 :               0.00057801354862
                3s
                   +0 :              -0.00014025806986
                2p
                   -1 :               0.00002735075518
                   +0 :              -0.00055385279848
                   +1 :               0.00000676470376
                3p
                   -1 :              -0.00012444205236
                   +0 :               0.00047907009687
                   +1 :              -0.00000460561176
                3d
                   -2 :               0.00001121343322
                   -1 :              -0.00001445888385
                   +0 :              -0.00002563103494
                   +1 :              -0.00002029170942
                   +2 :              -0.00000174285564
              6 vec=     7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00000129590694
                2s
                   +0 :              -0.00012329971893
                3s
                   +0 :              -0.00005661589304
                2p
                   -1 :               0.00004027352576
                   +0 :               0.00002070259395
                   +1 :               0.00025275637468
                3p
                   -1 :               0.00009450451050
                   +0 :              -0.00007616554347
                   +1 :              -0.00009339671408
                3d
                   -2 :               0.00000480587621
                   -1 :               0.00000350447119
                   +0 :               0.00001661735672
                   +1 :               0.00000385683261
                   +2 :               0.00000162614508
              7 vec=     0.000000     -2.752623     14.784494   |vec|=   15.038557
                1s
                   +0 :              -0.00005682116232
                2s
                   +0 :               0.00043069994577
                3s
                   +0 :              -0.00020424518876
                2p
                   -1 :               0.00011465324772
                   +0 :               0.00039324980979
                   +1 :              -0.00009208880070
                3p
                   -1 :               0.00001202714879
                   +0 :              -0.00042860342623
                   +1 :               0.00001863802201
                3d
                   -2 :              -0.00000626549241
                   -1 :               0.00001825362802
                   +0 :              -0.00003968565173
                   +1 :              -0.00000583204284
                   +2 :              -0.00001399307957
              8 vec=     0.000000    -11.736381     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00000977934805
                2s
                   +0 :              -0.00002205477838
                3s
                   +0 :               0.00002675836277
                2p
                   -1 :               0.00012626837641
                   +0 :              -0.00003304775700
                   +1 :              -0.00009494249652
                3p
                   -1 :              -0.00011543647594
                   +0 :              -0.00000037099599
                   +1 :               0.00001670892316
                3d
                   -2 :               0.00000565298242
                   -1 :               0.00000248400265
                   +0 :               0.00000122206821
                   +1 :               0.00000570614068
                   +2 :              -0.00000160098955
              9 vec=     0.000000      6.231135     14.784494   |vec|=   16.043949
                1s
                   +0 :               0.00001927671091
                2s
                   +0 :              -0.00019465001879
                3s
                   +0 :               0.00002817329290
                2p
                   -1 :               0.00001687770470
                   +0 :               0.00001616607424
                   +1 :               0.00021404446753
                3p
                   -1 :              -0.00005284108125
                   +0 :              -0.00006141425393
                   +1 :              -0.00010832515113
                3d
                   -2 :              -0.00000022593289
                   -1 :              -0.00000286843788
                   +0 :               0.00000644458727
                   +1 :               0.00001248176576
                   +2 :               0.00000568679487
             10 vec=    -7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00018163333931
                2s
                   +0 :               0.00180707755255
                3s
                   +0 :              -0.00025966151437
                2p
                   -1 :               0.00065430204743
                   +0 :              -0.00031429833786
                   +1 :              -0.00025877179828
                3p
                   -1 :              -0.00010376686902
                   +0 :               0.00003513155711
                   +1 :               0.00015686347899
                3d
                   -2 :              -0.00001770487810
                   -1 :              -0.00000488859124
                   +0 :               0.00000664695187
                   +1 :              -0.00003328441249
                   +2 :              -0.00000645735789
             11 vec=     7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00017738778235
                2s
                   +0 :              -0.00187355797645
                3s
                   +0 :               0.00029429588135
                2p
                   -1 :              -0.00069814107265
                   +0 :               0.00016942997899
                   +1 :              -0.00012775524836
                3p
                   -1 :               0.00002159971891
                   +0 :              -0.00013758878019
                   +1 :              -0.00001727881073
                3d
                   -2 :              -0.00002824101172
                   -1 :              -0.00001958291135
                   +0 :               0.00001783677342
                   +1 :              -0.00000136054336
                   +2 :               0.00001967493756
             12 vec=    -7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00020626464284
                2s
                   +0 :              -0.00192297418702
                3s
                   +0 :               0.00039595387111
                2p
                   -1 :              -0.00049734270363
                   +0 :              -0.00088339133234
                   +1 :              -0.00056674543220
                3p
                   -1 :               0.00012362088235
                   +0 :               0.00029593371443
                   +1 :               0.00036954737591
                3d
                   -2 :              -0.00000995665082
                   -1 :              -0.00001842586352
                   +0 :              -0.00001154643530
                   +1 :               0.00000820519982
                   +2 :               0.00000171171290
             13 vec=     7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00016747232082
                2s
                   +0 :               0.00141411342147
                3s
                   +0 :              -0.00027779368980
                2p
                   -1 :               0.00042342425751
                   +0 :               0.00033322340405
                   +1 :               0.00014385369577
                3p
                   -1 :               0.00004158297092
                   +0 :               0.00010036522655
                   +1 :              -0.00025072447965
                3d
                   -2 :              -0.00000030192764
                   -1 :               0.00003398617123
                   +0 :               0.00004592861807
                   +1 :              -0.00002210884336
                   +2 :              -0.00000465412390
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 19)  npairs=  15
              1 vec=    -0.209286      3.115418     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00011362976522
                2s
                   +0 :              -0.00115126335792
                3s
                   +0 :               0.00026408838462
                2p
                   -1 :              -0.00075801377082
                   +0 :              -0.00054424354644
                   +1 :              -0.00091504650590
                3p
                   -1 :               0.00074081051086
                   +0 :              -0.00018480618404
                   +1 :               0.00004422397882
                3d
                   -2 :               0.00004454983182
                   -1 :              -0.00001404407932
                   +0 :              -0.00006011120977
                   +1 :              -0.00010249110757
                   +2 :               0.00005378514239
              2 vec=    -0.209286     -5.868340     10.693237   |vec|=   12.199448
                1s
                   +0 :              -0.00016983137672
                2s
                   +0 :               0.00169193715797
                3s
                   +0 :              -0.00043033455368
                2p
                   -1 :               0.00035872757025
                   +0 :               0.00079198789717
                   +1 :               0.00207775196865
                3p
                   -1 :              -0.00053930230842
                   +0 :               0.00004078675568
                   +1 :              -0.00122460089096
                3d
                   -2 :              -0.00009172791777
                   -1 :              -0.00009448751865
                   +0 :               0.00014825297406
                   +1 :               0.00003207898731
                   +2 :              -0.00018751437500
              3 vec=     7.570876     -1.376461     10.693237   |vec|=   13.174146
                1s
                   +0 :              -0.00045143011372
                2s
                   +0 :               0.00481600964383
                3s
                   +0 :              -0.00024635607378
                2p
                   -1 :               0.00222530016056
                   +0 :               0.00128966405476
                   +1 :               0.00040559000491
                3p
                   -1 :              -0.00012562324991
                   +0 :               0.00094958696766
                   +1 :               0.00083108622949
                3d
                   -2 :               0.00014959671096
                   -1 :               0.00024490165388
                   +0 :               0.00007569621633
                   +1 :               0.00025861082762
                   +2 :               0.00001098977804
              4 vec=    -7.989449     -1.376461     10.693237   |vec|=   13.419063
                1s
                   +0 :               0.00084409375823
                2s
                   +0 :              -0.00738058722205
                3s
                   +0 :               0.00151960342791
                2p
                   -1 :              -0.00055178248898
                   +0 :              -0.00158740342370
                   +1 :               0.00262525111337
                3p
                   -1 :              -0.00089361798169
                   +0 :              -0.00007360807995
                   +1 :              -0.00122075434873
                3d
                   -2 :               0.00007679209327
                   -1 :              -0.00021633946724
                   +0 :              -0.00008424198507
                   +1 :               0.00004419167954
                   +2 :               0.00000217898628
              5 vec=    -0.209286      3.115418    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00006356760872
                2s
                   +0 :              -0.00027176687938
                3s
                   +0 :               0.00023108032505
                2p
                   -1 :              -0.00004257292813
                   +0 :               0.00010259073673
                   +1 :               0.00051137098484
                3p
                   -1 :              -0.00000458962058
                   +0 :              -0.00016456162331
                   +1 :              -0.00010365436584
                3d
                   -2 :               0.00000469398322
                   -1 :               0.00001581487032
                   +0 :               0.00000258807217
                   +1 :              -0.00000473900798
                   +2 :              -0.00001334624395
              6 vec=    -0.209286     -5.868340    -13.854306   |vec|=   15.047359
                1s
                   +0 :              -0.00003765805890
                2s
                   +0 :               0.00022541575351
                3s
                   +0 :              -0.00011067748906
                2p
                   -1 :              -0.00012312733798
                   +0 :              -0.00007384614694
                   +1 :               0.00033110648956
                3p
                   -1 :               0.00011816941500
                   +0 :               0.00007155673524
                   +1 :              -0.00015586448840
                3d
                   -2 :               0.00000504951017
                   -1 :              -0.00001298667118
                   +0 :              -0.00000836945423
                   +1 :               0.00001044958512
                   +2 :              -0.00000019714080
              7 vec=     7.570876      7.607297     10.693237   |vec|=   15.150394
                1s
                   +0 :               0.00006063193399
                2s
                   +0 :              -0.00068486127145
                3s
                   +0 :               0.00012727129348
                2p
                   -1 :              -0.00015214478362
                   +0 :              -0.00050262928530
                   +1 :              -0.00019838003464
                3p
                   -1 :               0.00000085919783
                   +0 :               0.00020108981563
                   +1 :               0.00001853809661
                3d
                   -2 :              -0.00001822371783
                   -1 :               0.00000545857188
                   +0 :               0.00000287478375
                   +1 :              -0.00000287887040
                   +2 :               0.00001943502123
              8 vec=    -7.989449      7.607297     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00002391326280
                2s
                   +0 :               0.00024788968029
                3s
                   +0 :              -0.00005561522459
                2p
                   -1 :              -0.00031021651877
                   +0 :               0.00037100746669
                   +1 :              -0.00013332538602
                3p
                   -1 :               0.00018754397387
                   +0 :              -0.00013039132390
                   +1 :               0.00001710990751
                3d
                   -2 :              -0.00002358637934
                   -1 :              -0.00000318597947
                   +0 :              -0.00000079539875
                   +1 :               0.00001356235373
                   +2 :               0.00000808212066
              9 vec=     7.570876     -1.376461    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00006601564662
                2s
                   +0 :              -0.00083607615107
                3s
                   +0 :              -0.00001236985143
                2p
                   -1 :               0.00061584583633
                   +0 :              -0.00015152887465
                   +1 :               0.00016295517445
                3p
                   -1 :              -0.00020456232018
                   +0 :               0.00044283202620
                   +1 :              -0.00001636428462
                3d
                   -2 :              -0.00001758407240
                   -1 :              -0.00003089883626
                   +0 :              -0.00002465860534
                   +1 :              -0.00001321561699
                   +2 :               0.00000792543118
             10 vec=    -7.989449     -1.376461    -13.854306   |vec|=   16.052032
                1s
                   +0 :              -0.00009320676682
                2s
                   +0 :               0.00117364241620
                3s
                   +0 :              -0.00006306307133
                2p
                   -1 :              -0.00079806713426
                   +0 :              -0.00037626374423
                   +1 :               0.00038131247890
                3p
                   -1 :               0.00020254499943
                   +0 :              -0.00014382232920
                   +1 :              -0.00017543093029
                3d
                   -2 :              -0.00001318016337
                   -1 :               0.00005098371535
                   +0 :               0.00001651579991
                   +1 :              -0.00001469578692
                   +2 :              -0.00001714715070
             11 vec=    -0.209286     12.099176     10.693237   |vec|=   16.148658
                1s
                   +0 :               0.00001839097532
                2s
                   +0 :              -0.00013318932773
                3s
                   +0 :               0.00005815597494
                2p
                   -1 :              -0.00011632435181
                   +0 :               0.00011066306202
                   +1 :               0.00013407466229
                3p
                   -1 :               0.00006644210104
                   +0 :              -0.00005204065968
                   +1 :              -0.00002392113792
                3d
                   -2 :              -0.00000312515502
                   -1 :               0.00000842933335
                   +0 :              -0.00000300981734
                   +1 :               0.00000681727479
                   +2 :              -0.00000133018432
             12 vec=     7.570876    -10.360219     10.693237   |vec|=   16.703222
                1s
                   +0 :              -0.00012774691881
                2s
                   +0 :               0.00151211682655
                3s
                   +0 :              -0.00021951661679
                2p
                   -1 :              -0.00084571909134
                   +0 :               0.00006149668630
                   +1 :               0.00039621238279
                3p
                   -1 :               0.00034516569710
                   +0 :              -0.00008913802367
                   +1 :              -0.00014291383468
                3d
                   -2 :              -0.00000771214301
                   -1 :               0.00002097913606
                   +0 :              -0.00000631669938
                   +1 :              -0.00000504607298
                   +2 :              -0.00000087271920
             13 vec=    -7.989449    -10.360219     10.693237   |vec|=   16.897064
                1s
                   +0 :               0.00011414694922
                2s
                   +0 :              -0.00125275843294
                3s
                   +0 :               0.00015854787771
                2p
                   -1 :               0.00055329934972
                   +0 :              -0.00038930044839
                   +1 :               0.00015313915408
                3p
                   -1 :              -0.00016567426964
                   +0 :               0.00012073107542
                   +1 :              -0.00003881097631
                3d
                   -2 :              -0.00001171393187
                   -1 :              -0.00001809899258
                   +0 :              -0.00001509130672
                   +1 :              -0.00000530530064
                   +2 :               0.00002396035679
             14 vec=     7.570876      7.607297    -13.854306   |vec|=   17.525151
                1s
                   +0 :               0.00021178804950
                2s
                   +0 :              -0.00232926769549
                3s
                   +0 :               0.00029650136053
                2p
                   -1 :              -0.00023626944774
                   +0 :               0.00100654832049
                   +1 :              -0.00043377764079
                3p
                   -1 :               0.00004541285491
                   +0 :              -0.00001601731583
                   +1 :               0.00008693688919
                3d
                   -2 :              -0.00003409719611
                   -1 :               0.00000400672261
                   +0 :              -0.00004492422835
                   +1 :               0.00005253113100
                   +2 :              -0.00002304728978
             15 vec=    -7.989449      7.607297    -13.854306   |vec|=   17.709998
                1s
                   +0 :              -0.00016075743586
                2s
                   +0 :               0.00151672373904
                3s
                   +0 :              -0.00026912092578
                2p
                   -1 :               0.00027714681213
                   +0 :              -0.00029960535183
                   +1 :              -0.00002140544281
                3p
                   -1 :              -0.00012380503790
                   +0 :              -0.00007826631823
                   +1 :              -0.00008617557117
                3d
                   -2 :               0.00001124253501
                   -1 :               0.00001457576941
                   +0 :               0.00001513858035
                   +1 :               0.00002191006272
                   +2 :               0.00001384302481
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 20)  npairs=  15
              1 vec=     2.802674     -1.376461     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00000989167630
                2s
                   +0 :               0.00040317841177
                3s
                   +0 :               0.00000275883509
                2p
                   -1 :               0.00096850863070
                   +0 :               0.00019244549454
                   +1 :              -0.00185106426428
                3p
                   -1 :               0.00006883941332
                   +0 :              -0.00031129708639
                   +1 :               0.00004781426001
                3d
                   -2 :              -0.00003843290457
                   -1 :               0.00011749230572
                   +0 :              -0.00016616497532
                   +1 :              -0.00006813092391
                   +2 :               0.00017575332431
              2 vec=    -4.977489      3.115418     10.693237   |vec|=   12.199448
                1s
                   +0 :              -0.00014034400611
                2s
                   +0 :               0.00036930913933
                3s
                   +0 :              -0.00047483418064
                2p
                   -1 :               0.00186976342010
                   +0 :               0.00079386000394
                   +1 :              -0.00077022406091
                3p
                   -1 :              -0.00100257182179
                   +0 :              -0.00113356632059
                   +1 :               0.00072891035281
                3d
                   -2 :               0.00005068694694
                   -1 :               0.00005027327740
                   +0 :              -0.00009592937207
                   +1 :               0.00010756044531
                   +2 :              -0.00007139715127
              3 vec=    -4.977489     -5.868340     10.693237   |vec|=   13.174146
                1s
                   +0 :               0.00043844908620
                2s
                   +0 :              -0.00442439384472
                3s
                   +0 :               0.00023724090230
                2p
                   -1 :               0.00063048230207
                   +0 :              -0.00089591464647
                   +1 :              -0.00174956838473
                3p
                   -1 :               0.00088994681706
                   +0 :              -0.00094601550355
                   +1 :               0.00040573284042
                3d
                   -2 :               0.00006706614238
                   -1 :               0.00030337841020
                   +0 :              -0.00006388785725
                   +1 :              -0.00011878372670
                   +2 :               0.00014240807924
              4 vec=     2.802674      7.607297     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00006747782555
                2s
                   +0 :               0.00033691553862
                3s
                   +0 :              -0.00023454431134
                2p
                   -1 :               0.00111365433744
                   +0 :               0.00024779519983
                   +1 :               0.00057053012124
                3p
                   -1 :              -0.00076397080345
                   +0 :              -0.00031437650412
                   +1 :              -0.00036566367716
                3d
                   -2 :              -0.00000692622640
                   -1 :              -0.00001017553358
                   +0 :              -0.00000032622476
                   +1 :              -0.00000640053847
                   +2 :              -0.00000283117920
              5 vec=     2.802674     -1.376461    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00004299048013
                2s
                   +0 :              -0.00068599470350
                3s
                   +0 :              -0.00002329093986
                2p
                   -1 :               0.00054460377096
                   +0 :               0.00026860354043
                   +1 :               0.00006908870337
                3p
                   -1 :              -0.00033817895731
                   +0 :               0.00001606573448
                   +1 :               0.00002259100529
                3d
                   -2 :               0.00001655158436
                   -1 :               0.00000631359021
                   +0 :              -0.00002411232950
                   +1 :              -0.00000540829639
                   +2 :              -0.00001132468002
              6 vec=    -4.977489      3.115418    -13.854306   |vec|=   15.047359
                1s
                   +0 :              -0.00014832458661
                2s
                   +0 :               0.00141207152711
                3s
                   +0 :              -0.00028239418533
                2p
                   -1 :              -0.00029293071376
                   +0 :              -0.00049641248135
                   +1 :               0.00041374302266
                3p
                   -1 :               0.00025919040905
                   +0 :               0.00013327938528
                   +1 :              -0.00008548128702
                3d
                   -2 :               0.00000736993052
                   -1 :              -0.00001102036166
                   +0 :              -0.00002969665651
                   +1 :              -0.00001231986245
                   +2 :              -0.00000567149545
              7 vec=     2.802674    -10.360219     10.693237   |vec|=   15.150394
                1s
                   +0 :              -0.00017284361972
                2s
                   +0 :               0.00200118948616
                3s
                   +0 :              -0.00025487866071
                2p
                   -1 :              -0.00103434113052
                   +0 :              -0.00002170886213
                   +1 :              -0.00108390438353
                3p
                   -1 :               0.00010783082764
                   +0 :               0.00014249996848
                   +1 :               0.00059034826324
                3d
                   -2 :              -0.00001556697219
                   -1 :              -0.00003501570998
                   +0 :              -0.00003141426578
                   +1 :               0.00002063221193
                   +2 :              -0.00005049178539
              8 vec=    10.582837      3.115418     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00010581639471
                2s
                   +0 :               0.00104640016183
                3s
                   +0 :              -0.00020453242992
                2p
                   -1 :               0.00083691540394
                   +0 :               0.00039009696177
                   +1 :               0.00014539059561
                3p
                   -1 :              -0.00025763641589
                   +0 :              -0.00031818452231
                   +1 :               0.00001285528805
                3d
                   -2 :               0.00000518891519
                   -1 :              -0.00001555907260
                   +0 :               0.00001318524455
                   +1 :               0.00001308063742
                   +2 :               0.00000242680272
              9 vec=    -4.977489     -5.868340    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00000907329612
                2s
                   +0 :               0.00009050425588
                3s
                   +0 :               0.00010638348151
                2p
                   -1 :               0.00013198675891
                   +0 :               0.00027056737243
                   +1 :              -0.00013691241697
                3p
                   -1 :              -0.00019510456923
                   +0 :              -0.00025419596643
                   +1 :               0.00015192259875
                3d
                   -2 :              -0.00000849103052
                   -1 :              -0.00000239756235
                   +0 :               0.00002277546407
                   +1 :              -0.00000417715082
                   +2 :              -0.00001988819722
             10 vec=     2.802674      7.607297    -13.854306   |vec|=   16.052032
                1s
                   +0 :               0.00006154421765
                2s
                   +0 :              -0.00084625622892
                3s
                   +0 :               0.00000793278940
                2p
                   -1 :              -0.00015028040925
                   +0 :               0.00047679934537
                   +1 :               0.00096523776142
                3p
                   -1 :               0.00005504652036
                   +0 :               0.00005640008467
                   +1 :              -0.00017411904729
                3d
                   -2 :               0.00002456030683
                   -1 :               0.00001082340841
                   +0 :              -0.00001321343012
                   +1 :              -0.00005601163429
                   +2 :              -0.00001976347832
             11 vec=    10.582837     -5.868340     10.693237   |vec|=   16.148658
                1s
                   +0 :              -0.00023245168011
                2s
                   +0 :               0.00214731612044
                3s
                   +0 :              -0.00036134462901
                2p
                   -1 :              -0.00059775890152
                   +0 :               0.00035681782551
                   +1 :               0.00093853529437
                3p
                   -1 :               0.00023837765064
                   +0 :               0.00017236836537
                   +1 :              -0.00022547033806
                3d
                   -2 :              -0.00002013840295
                   -1 :              -0.00006059236300
                   +0 :               0.00003553754857
                   +1 :               0.00003871797758
                   +2 :               0.00000331073347
             12 vec=   -12.757651     -1.376461     10.693237   |vec|=   16.703222
                1s
                   +0 :               0.00011362235097
                2s
                   +0 :              -0.00136332999939
                3s
                   +0 :               0.00021174669930
                2p
                   -1 :              -0.00003147743581
                   +0 :              -0.00002966939774
                   +1 :               0.00097967860407
                3p
                   -1 :              -0.00000756930614
                   +0 :               0.00017628902172
                   +1 :              -0.00041926707014
                3d
                   -2 :               0.00000016720911
                   -1 :              -0.00000026286646
                   +0 :               0.00001282894737
                   +1 :              -0.00003316554816
                   +2 :              -0.00001816777134
             13 vec=    -4.977489     12.099176     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00002004846284
                2s
                   +0 :               0.00024112476371
                3s
                   +0 :              -0.00003064806506
                2p
                   -1 :               0.00005478981886
                   +0 :               0.00018766445107
                   +1 :               0.00000783734103
                3p
                   -1 :              -0.00005941170718
                   +0 :               0.00004087467730
                   +1 :              -0.00002486190274
                3d
                   -2 :              -0.00000533002715
                   -1 :               0.00000132434966
                   +0 :               0.00001335719866
                   +1 :              -0.00001102497939
                   +2 :               0.00000160339706
             14 vec=     2.802674    -10.360219    -13.854306   |vec|=   17.525151
                1s
                   +0 :               0.00000879236124
                2s
                   +0 :              -0.00002936806595
                3s
                   +0 :               0.00005307025024
                2p
                   -1 :               0.00001397853876
                   +0 :              -0.00003081475503
                   +1 :               0.00007932986277
                3p
                   -1 :              -0.00001576432285
                   +0 :              -0.00004306580286
                   +1 :              -0.00004728403344
                3d
                   -2 :              -0.00000145387102
                   -1 :               0.00000756698839
                   +0 :               0.00000783735373
                   +1 :               0.00000248208297
                   +2 :               0.00000008809324
             15 vec=    10.582837      3.115418    -13.854306   |vec|=   17.709998
                1s
                   +0 :               0.00017052343832
                2s
                   +0 :              -0.00161902554730
                3s
                   +0 :               0.00028167838054
                2p
                   -1 :               0.00005527398951
                   +0 :               0.00024261924082
                   +1 :              -0.00026040507195
                3p
                   -1 :              -0.00013254053377
                   +0 :               0.00016451251059
                   +1 :               0.00003865248370
                3d
                   -2 :              -0.00000749825531
                   -1 :               0.00003095701183
                   +0 :              -0.00001871770238
                   +1 :               0.00000316408742
                   +2 :               0.00001600824093
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 21)  npairs=  15
              1 vec=    -2.593388     -1.738956     10.693237   |vec|=   11.139791
                1s
                   +0 :              -0.00012352144151
                2s
                   +0 :               0.00074808494615
                3s
                   +0 :              -0.00026684721971
                2p
                   -1 :              -0.00070536772721
                   +0 :               0.00035179805191
                   +1 :              -0.00287826764501
                3p
                   -1 :               0.00040793423681
                   +0 :               0.00049610327043
                   +1 :               0.00062796316050
                3d
                   -2 :              -0.00010256908037
                   -1 :               0.00008148090513
                   +0 :               0.00022627618510
                   +1 :              -0.00019922486670
                   +2 :               0.00004290407557
              2 vec=     5.186775      2.752923     10.693237   |vec|=   12.199448
                1s
                   +0 :               0.00031017538283
                2s
                   +0 :              -0.00206124629730
                3s
                   +0 :               0.00090516873432
                2p
                   -1 :              -0.00135217409580
                   +0 :              -0.00158584790110
                   +1 :              -0.00065483147813
                3p
                   -1 :               0.00092085329858
                   +0 :               0.00109277956491
                   +1 :               0.00015335789830
                3d
                   -2 :              -0.00012108095098
                   -1 :               0.00004326173953
                   +0 :              -0.00005232360199
                   +1 :              -0.00005554681054
                   +2 :              -0.00000612087242
              3 vec=    -2.593388      7.244802     10.693237   |vec|=   13.174146
                1s
                   +0 :               0.00001298102751
                2s
                   +0 :              -0.00039161579911
                3s
                   +0 :               0.00000911517147
                2p
                   -1 :              -0.00043853068329
                   +0 :              -0.00039374940829
                   +1 :               0.00070916358995
                3p
                   -1 :               0.00001379494306
                   +0 :              -0.00000357146411
                   +1 :              -0.00026109994236
                3d
                   -2 :              -0.00000548016068
                   -1 :              -0.00005269323926
                   +0 :              -0.00001180835908
                   +1 :               0.00001927119395
                   +2 :               0.00000522535966
              4 vec=     5.186775     -6.230835     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00077661593269
                2s
                   +0 :               0.00704367168343
                3s
                   +0 :              -0.00128505911657
                2p
                   -1 :              -0.00149850465264
                   +0 :               0.00133960822387
                   +1 :               0.00015558001723
                3p
                   -1 :              -0.00008826414845
                   +0 :               0.00038798458406
                   +1 :              -0.00090548676282
                3d
                   -2 :               0.00003927186403
                   -1 :              -0.00015707164644
                   +0 :               0.00008456820982
                   +1 :              -0.00015964763336
                   +2 :              -0.00007282828806
              5 vec=    -2.593388     -1.738956    -13.854306   |vec|=   14.201810
                1s
                   +0 :              -0.00010655808885
                2s
                   +0 :               0.00095776158288
                3s
                   +0 :              -0.00020778938519
                2p
                   -1 :              -0.00013201226999
                   +0 :              -0.00037119427717
                   +1 :              -0.00021828009381
                3p
                   -1 :              -0.00006205259044
                   +0 :               0.00014849588883
                   +1 :               0.00024836515977
                3d
                   -2 :               0.00000887205807
                   -1 :               0.00001048460949
                   +0 :               0.00002152425732
                   +1 :               0.00000315469776
                   +2 :              -0.00000206647817
              6 vec=     5.186775      2.752923    -13.854306   |vec|=   15.047359
                1s
                   +0 :               0.00018598264551
                2s
                   +0 :              -0.00163748728062
                3s
                   +0 :               0.00039307167439
                2p
                   -1 :              -0.00013646368893
                   +0 :               0.00057025862830
                   +1 :               0.00051947879318
                3p
                   -1 :               0.00024963355241
                   +0 :              -0.00020483612052
                   +1 :              -0.00024280065103
                3d
                   -2 :               0.00001095065054
                   -1 :              -0.00003172243645
                   +0 :               0.00003806611075
                   +1 :              -0.00000263801266
                   +2 :              -0.00000092477515
              7 vec=   -10.373550      2.752923     10.693237   |vec|=   15.150394
                1s
                   +0 :               0.00011221168572
                2s
                   +0 :              -0.00131632821471
                3s
                   +0 :               0.00012760736722
                2p
                   -1 :              -0.00136012953888
                   +0 :               0.00052433814743
                   +1 :               0.00012286223845
                3p
                   -1 :               0.00054954714318
                   +0 :              -0.00034358978411
                   +1 :               0.00021180303103
                3d
                   -2 :               0.00004366304593
                   -1 :               0.00000558262552
                   +0 :               0.00002853948203
                   +1 :               0.00004392842706
                   +2 :              -0.00001322757287
              8 vec=    -2.593388    -10.722714     10.693237   |vec|=   15.363840
                1s
                   +0 :               0.00012972965751
                2s
                   +0 :              -0.00129428984212
                3s
                   +0 :               0.00026014765451
                2p
                   -1 :               0.00050472456312
                   +0 :              -0.00076110442846
                   +1 :              -0.00098741278177
                3p
                   -1 :              -0.00003873082955
                   +0 :               0.00044857584621
                   +1 :               0.00040052012458
                3d
                   -2 :              -0.00000430108307
                   -1 :              -0.00000978970460
                   +0 :              -0.00001238984580
                   +1 :               0.00002403690855
                   +2 :               0.00003017459776
              9 vec=    -2.593388      7.244802    -13.854306   |vec|=   15.847858
                1s
                   +0 :              -0.00007508894275
                2s
                   +0 :               0.00074557189519
                3s
                   +0 :              -0.00009401363008
                2p
                   -1 :               0.00011422334568
                   +0 :              -0.00011903849778
                   +1 :               0.00043205563163
                3p
                   -1 :              -0.00005409272859
                   +0 :              -0.00018863605977
                   +1 :               0.00005958850448
                3d
                   -2 :               0.00001104975730
                   -1 :              -0.00000882065799
                   +0 :               0.00000188314127
                   +1 :              -0.00003337921115
                   +2 :               0.00000189342225
             10 vec=     5.186775     -6.230835    -13.854306   |vec|=   16.052032
                1s
                   +0 :               0.00003166254916
                2s
                   +0 :              -0.00032738618728
                3s
                   +0 :               0.00005513028193
                2p
                   -1 :               0.00003152035682
                   +0 :              -0.00010053560114
                   +1 :               0.00011227536007
                3p
                   -1 :               0.00012993188391
                   +0 :               0.00008742224453
                   +1 :              -0.00004703755889
                3d
                   -2 :               0.00000795587791
                   -1 :              -0.00000487701152
                   +0 :              -0.00000330236979
                   +1 :              -0.00000057386457
                   +2 :               0.00001422889143
             11 vec=   -10.373550     -6.230835     10.693237   |vec|=   16.148658
                1s
                   +0 :               0.00021406070479
                2s
                   +0 :              -0.00201412679271
                3s
                   +0 :               0.00030318865408
                2p
                   -1 :               0.00033964171706
                   +0 :              -0.00046748088753
                   +1 :               0.00095323952864
                3p
                   -1 :              -0.00002213685159
                   +0 :              -0.00012032770570
                   +1 :              -0.00027359629176
                3d
                   -2 :              -0.00001565093169
                   -1 :               0.00000154530419
                   +0 :              -0.00003252773123
                   +1 :               0.00008254216863
                   +2 :              -0.00001374363033
             12 vec=     5.186775     11.736681     10.693237   |vec|=   16.703222
                1s
                   +0 :               0.00001412456784
                2s
                   +0 :              -0.00014878682716
                3s
                   +0 :               0.00000776991749
                2p
                   -1 :               0.00006669830630
                   +0 :              -0.00003182728857
                   +1 :              -0.00001720846508
                3p
                   -1 :              -0.00007053072685
                   +0 :              -0.00008715099805
                   +1 :               0.00002438702120
                3d
                   -2 :               0.00001120548756
                   -1 :              -0.00001399404505
                   +0 :              -0.00000651224799
                   +1 :              -0.00000070969675
                   +2 :              -0.00000269652618
             13 vec=    12.966938     -1.738956     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00009409848637
                2s
                   +0 :               0.00101163366924
                3s
                   +0 :              -0.00012789981265
                2p
                   -1 :               0.00017820952297
                   +0 :               0.00020163599732
                   +1 :               0.00051221016532
                3p
                   -1 :              -0.00010046273634
                   +0 :              -0.00016160575272
                   +1 :              -0.00012386251808
                3d
                   -2 :               0.00001083971556
                   -1 :              -0.00001334070856
                   +0 :               0.00000173410806
                   +1 :              -0.00002498624782
                   +2 :               0.00001831050058
             14 vec=   -10.373550      2.752923    -13.854306   |vec|=   17.525151
                1s
                   +0 :              -0.00022058041073
                2s
                   +0 :               0.00235863576144
                3s
                   +0 :              -0.00034957161077
                2p
                   -1 :               0.00033321867847
                   +0 :              -0.00097573356547
                   +1 :              -0.00039394500256
                3p
                   -1 :              -0.00010141446269
                   +0 :               0.00005908311869
                   +1 :               0.00007280741795
                3d
                   -2 :              -0.00003781136298
                   -1 :              -0.00003755689153
                   +0 :               0.00003708687462
                   +1 :               0.00002442332638
                   +2 :               0.00001679035052
             15 vec=    -2.593388    -10.722714    -13.854306   |vec|=   17.709998
                1s
                   +0 :              -0.00000976600245
                2s
                   +0 :               0.00010230180826
                3s
                   +0 :              -0.00001255745477
                2p
                   -1 :              -0.00004076934951
                   +0 :               0.00005698611101
                   +1 :               0.00005124224343
                3p
                   -1 :              -0.00002006851921
                   +0 :              -0.00008624619236
                   +1 :              -0.00001619638240
                3d
                   -2 :              -0.00000000299231
                   -1 :               0.00000653189980
                   +0 :               0.00000357912204
                   +1 :              -0.00000164949701
                   +2 :              -0.00000130436763
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 22)  npairs=  14
              1 vec=     2.803193      1.376162     -1.580534   |vec|=    3.499971
                1s
                   +0 :               0.01058555750592
                2s
                   +0 :              -0.12033491594828
                3s
                   +0 :               0.01400879526651
                2p
                   -1 :              -0.01102975171128
                   +0 :              -0.01268525788639
                   +1 :              -0.03047316701011
                3p
                   -1 :               0.00542713794899
                   +0 :              -0.00775446897347
                   +1 :               0.02748993373950
                3d
                   -2 :              -0.01062751591465
                   -1 :               0.00151306908252
                   +0 :               0.00877249075856
                   +1 :               0.00392525494093
                   +2 :              -0.00423205309247
              2 vec=    -4.976970     -3.115717     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00054565361793
                2s
                   +0 :               0.00540798898536
                3s
                   +0 :              -0.00099679993622
                2p
                   -1 :              -0.00907640535810
                   +0 :               0.00291049044061
                   +1 :               0.00281342581955
                3p
                   -1 :               0.00273648145118
                   +0 :              -0.00143198178623
                   +1 :              -0.00329808099573
                3d
                   -2 :               0.00058669294149
                   -1 :               0.00056638352938
                   +0 :              -0.00020275747402
                   +1 :               0.00082023320520
                   +2 :               0.00027000890805
              3 vec=    -4.976970      5.868041     -1.580534   |vec|=    7.855076
                1s
                   +0 :              -0.00292483976273
                2s
                   +0 :               0.02690047392022
                3s
                   +0 :              -0.00340133508336
                2p
                   -1 :               0.00663564572413
                   +0 :               0.00339334618910
                   +1 :              -0.01034971283515
                3p
                   -1 :               0.00523848081686
                   +0 :              -0.00074953937628
                   +1 :               0.00346582659925
                3d
                   -2 :              -0.00094307091742
                   -1 :               0.00074576390331
                   +0 :              -0.00105825305962
                   +1 :              -0.00011608908383
                   +2 :              -0.00132476215451
              4 vec=     2.803193     -7.607596     -1.580534   |vec|=    8.260236
                1s
                   +0 :              -0.00086000353577
                2s
                   +0 :               0.00774447733966
                3s
                   +0 :              -0.00146948298102
                2p
                   -1 :              -0.00619075473989
                   +0 :               0.00212643744673
                   +1 :               0.00133263990202
                3p
                   -1 :               0.00189567752160
                   +0 :              -0.00225182232147
                   +1 :               0.00028170012016
                3d
                   -2 :              -0.00027907300349
                   -1 :               0.00008031096753
                   +0 :              -0.00017176650044
                   +1 :               0.00008408336668
                   +2 :              -0.00012150376149
              5 vec=     2.803193     10.359920     -1.580534   |vec|=   10.848222
                1s
                   +0 :               0.00047133824914
                2s
                   +0 :              -0.00476629742008
                3s
                   +0 :               0.00112407452262
                2p
                   -1 :              -0.00203672219994
                   +0 :               0.00015094027868
                   +1 :               0.00429228460935
                3p
                   -1 :               0.00059144595223
                   +0 :               0.00018407189726
                   +1 :              -0.00142985040071
                3d
                   -2 :               0.00006859742628
                   -1 :               0.00004670759805
                   +0 :              -0.00001070442108
                   +1 :              -0.00006894483881
                   +2 :               0.00003209174956
              6 vec=    10.583355     -3.115717     -1.580534   |vec|=   11.145097
                1s
                   +0 :               0.00050542528217
                2s
                   +0 :              -0.00494942720367
                3s
                   +0 :               0.00119100658204
                2p
                   -1 :               0.00584143790938
                   +0 :              -0.00106296522383
                   +1 :              -0.00207186000157
                3p
                   -1 :              -0.00261349725090
                   +0 :               0.00010756687548
                   +1 :               0.00118592028635
                3d
                   -2 :               0.00003756878593
                   -1 :               0.00000586945711
                   +0 :               0.00005464429290
                   +1 :               0.00003322600168
                   +2 :               0.00002972629717
              7 vec=    10.583355      5.868041     -1.580534   |vec|=   12.204073
                1s
                   +0 :               0.00014853611680
                2s
                   +0 :              -0.00184772728303
                3s
                   +0 :              -0.00009234817571
                2p
                   -1 :              -0.00018780398969
                   +0 :              -0.00006396606087
                   +1 :              -0.00127184578764
                3p
                   -1 :              -0.00066389051440
                   +0 :              -0.00058579959979
                   +1 :               0.00036779569575
                3d
                   -2 :              -0.00003356046534
                   -1 :              -0.00013829593285
                   +0 :               0.00025820825524
                   +1 :              -0.00018219921655
                   +2 :               0.00012741779038
              8 vec=   -12.757133      1.376162     -1.580534   |vec|=   12.928122
                1s
                   +0 :              -0.00052569697976
                2s
                   +0 :               0.00527044628965
                3s
                   +0 :              -0.00106845273297
                2p
                   -1 :               0.00015328667549
                   +0 :               0.00015382726169
                   +1 :              -0.00420571092160
                3p
                   -1 :              -0.00045180645627
                   +0 :               0.00009698420325
                   +1 :               0.00116249258045
                3d
                   -2 :               0.00001247991908
                   -1 :               0.00006681827560
                   +0 :              -0.00003671871545
                   +1 :               0.00007343731647
                   +2 :               0.00007718025963
              9 vec=    -4.976970    -12.099475     -1.580534   |vec|=   13.178225
                1s
                   +0 :               0.00012887807009
                2s
                   +0 :              -0.00112389669407
                3s
                   +0 :               0.00018196472082
                2p
                   -1 :               0.00079606200778
                   +0 :              -0.00014383878600
                   +1 :               0.00052362625192
                3p
                   -1 :              -0.00009113746296
                   +0 :               0.00031529048747
                   +1 :              -0.00037610373450
                3d
                   -2 :              -0.00000789606545
                   -1 :              -0.00002669743608
                   +0 :               0.00000303547124
                   +1 :               0.00002847904923
                   +2 :               0.00002345977194
             10 vec=   -12.757133     -7.607596     -1.580534   |vec|=   14.937136
                1s
                   +0 :               0.00005438542408
                2s
                   +0 :              -0.00020979779992
                3s
                   +0 :               0.00019258033502
                2p
                   -1 :              -0.00061465242550
                   +0 :              -0.00012484427635
                   +1 :               0.00016001124440
                3p
                   -1 :               0.00019887205667
                   +0 :               0.00019812677193
                   +1 :              -0.00016772272147
                3d
                   -2 :              -0.00000163094746
                   -1 :               0.00000502139078
                   +0 :              -0.00000513585645
                   +1 :              -0.00000389954385
                   +2 :               0.00000901572078
             11 vec=    -4.976970     14.851799     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00008237212268
                2s
                   +0 :               0.00094871905104
                3s
                   +0 :              -0.00008408771909
                2p
                   -1 :               0.00060358046326
                   +0 :              -0.00012074492639
                   +1 :               0.00001506687539
                3p
                   -1 :              -0.00018735279381
                   +0 :               0.00018921871571
                   +1 :               0.00001466081187
                3d
                   -2 :               0.00000643368079
                   -1 :               0.00000540115747
                   +0 :              -0.00001920965348
                   +1 :               0.00000359546390
                   +2 :               0.00001496753475
             12 vec=    10.583355    -12.099475     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00004666927394
                2s
                   +0 :               0.00044652249675
                3s
                   +0 :              -0.00007379364063
                2p
                   -1 :               0.00011721544172
                   +0 :              -0.00018349933093
                   +1 :               0.00010085032838
                3p
                   -1 :              -0.00005283259750
                   +0 :              -0.00000216420250
                   +1 :               0.00007228893969
                3d
                   -2 :               0.00001203895459
                   -1 :              -0.00000015748552
                   +0 :               0.00000066045381
                   +1 :              -0.00001236811915
                   +2 :              -0.00000192145746
             13 vec=   -12.757133     10.359920     -1.580534   |vec|=   16.509708
                1s
                   +0 :              -0.00011201576322
                2s
                   +0 :               0.00131685482513
                3s
                   +0 :              -0.00008526977853
                2p
                   -1 :              -0.00041560622842
                   +0 :              -0.00001396381607
                   +1 :              -0.00110897863612
                3p
                   -1 :               0.00024372538906
                   +0 :               0.00005437355851
                   +1 :               0.00018237493168
                3d
                   -2 :               0.00001863155098
                   -1 :               0.00002773220967
                   +0 :              -0.00002950181344
                   +1 :               0.00000998722598
                   +2 :               0.00000619898505
             14 vec=     2.803193    -16.591354     -1.580534   |vec|=   16.900562
                1s
                   +0 :              -0.00001012630382
                2s
                   +0 :               0.00016182583009
                3s
                   +0 :               0.00001271918639
                2p
                   -1 :              -0.00013640934087
                   +0 :               0.00001872637555
                   +1 :              -0.00017357067083
                3p
                   -1 :              -0.00000749986123
                   +0 :              -0.00003313585547
                   +1 :               0.00002020903944
                3d
                   -2 :               0.00000989427332
                   -1 :              -0.00000007827281
                   +0 :              -0.00000507599878
                   +1 :               0.00000348004264
                   +2 :              -0.00000792760328
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805     -3.115717     -1.580534   |vec|=    3.499971
                1s
                   +0 :              -0.00032533320228
                2s
                   +0 :               0.00502038755769
                3s
                   +0 :               0.00093705259120
                2p
                   -1 :              -0.00244360415533
                   +0 :               0.00129207618723
                   +1 :               0.01395157045990
                3p
                   -1 :               0.00089791955374
                   +0 :              -0.00017398563573
                   +1 :              -0.00160282841193
                3d
                   -2 :              -0.00668408774973
                   -1 :               0.00048872717307
                   +0 :              -0.00050315381694
                   +1 :              -0.00050071152277
                   +2 :              -0.00152670285738
              2 vec=    -0.209805      5.868041     -1.580534   |vec|=    6.080790
                1s
                   +0 :               0.00001634437562
                2s
                   +0 :              -0.00005140390963
                3s
                   +0 :               0.00091453272021
                2p
                   -1 :               0.00002132109025
                   +0 :              -0.00076366240755
                   +1 :               0.00895226295577
                3p
                   -1 :               0.00119480413150
                   +0 :               0.00120461608977
                   +1 :              -0.00110295030134
                3d
                   -2 :               0.00005610228391
                   -1 :               0.00004381181163
                   +0 :              -0.00019424438211
                   +1 :               0.00012412922744
                   +2 :               0.00023454680615
              3 vec=     7.570358      1.376162     -1.580534   |vec|=    7.855076
                1s
                   +0 :               0.00272956928863
                2s
                   +0 :              -0.02376186065351
                3s
                   +0 :               0.00290819725888
                2p
                   -1 :              -0.00276225032105
                   +0 :              -0.00247171013818
                   +1 :              -0.00713906343926
                3p
                   -1 :               0.00544085557661
                   +0 :              -0.00019366996999
                   +1 :              -0.00339620794988
                3d
                   -2 :               0.00096601852323
                   -1 :               0.00030332823545
                   +0 :               0.00080877704530
                   +1 :              -0.00080071001808
                   +2 :              -0.00123938307102
              4 vec=    -7.989968      1.376162     -1.580534   |vec|=    8.260236
                1s
                   +0 :              -0.00189740755888
                2s
                   +0 :               0.01666959789709
                3s
                   +0 :              -0.00349774292803
                2p
                   -1 :              -0.00199076642944
                   +0 :               0.00109859099000
                   +1 :              -0.00725800024586
                3p
                   -1 :              -0.00124048603847
                   +0 :               0.00024058545030
                   +1 :              -0.00022635117253
                3d
                   -2 :               0.00046921909600
                   -1 :              -0.00032169759434
                   +0 :              -0.00043069068948
                   +1 :              -0.00008827310225
                   +2 :               0.00073506871213
              5 vec=     7.570358     -7.607596     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00023083048848
                2s
                   +0 :               0.00299720480400
                3s
                   +0 :              -0.00025045653211
                2p
                   -1 :               0.00142303773101
                   +0 :              -0.00187474379509
                   +1 :               0.00234408673343
                3p
                   -1 :              -0.00054120334525
                   +0 :              -0.00014406946487
                   +1 :              -0.00101926726184
                3d
                   -2 :              -0.00005692055359
                   -1 :              -0.00006540913790
                   +0 :               0.00013954872245
                   +1 :              -0.00011825473319
                   +2 :               0.00001710347072
              6 vec=    -7.989968     -7.607596     -1.580534   |vec|=   11.145097
                1s
                   +0 :               0.00016088417090
                2s
                   +0 :              -0.00152313373768
                3s
                   +0 :               0.00023470694695
                2p
                   -1 :              -0.00091022810386
                   +0 :               0.00064995006503
                   +1 :              -0.00115346555469
                3p
                   -1 :               0.00016661467388
                   +0 :               0.00042024898509
                   +1 :               0.00129167166774
                3d
                   -2 :               0.00006549936252
                   -1 :               0.00011759770241
                   +0 :              -0.00014759145017
                   +1 :              -0.00003947486376
                   +2 :              -0.00003855727795
              7 vec=    -0.209805    -12.099475     -1.580534   |vec|=   12.204073
                1s
                   +0 :               0.00006033458083
                2s
                   +0 :              -0.00051723082242
                3s
                   +0 :               0.00011493050524
                2p
                   -1 :               0.00015967691789
                   +0 :               0.00005653260488
                   +1 :              -0.00020240484016
                3p
                   -1 :              -0.00000869952611
                   +0 :               0.00003143808776
                   +1 :               0.00017874555079
                3d
                   -2 :              -0.00001738595513
                   -1 :              -0.00001065617111
                   +0 :              -0.00003939204338
                   +1 :              -0.00006117148345
                   +2 :              -0.00001259314705
              8 vec=     7.570358     10.359920     -1.580534   |vec|=   12.928122
                1s
                   +0 :               0.00063898382503
                2s
                   +0 :              -0.00686231623726
                3s
                   +0 :               0.00132719587866
                2p
                   -1 :              -0.00491214909064
                   +0 :              -0.00001755774700
                   +1 :              -0.00353709120580
                3p
                   -1 :               0.00114980231094
                   +0 :               0.00005606813111
                   +1 :               0.00136916761759
                3d
                   -2 :              -0.00009144459042
                   -1 :               0.00011277888704
                   +0 :               0.00005092531589
                   +1 :               0.00002753691481
                   +2 :               0.00008108759990
              9 vec=    -7.989968     10.359920     -1.580534   |vec|=   13.178225
                1s
                   +0 :              -0.00069658015634
                2s
                   +0 :               0.00734561285233
                3s
                   +0 :              -0.00098415732660
                2p
                   -1 :               0.00473629474453
                   +0 :               0.00060049779372
                   +1 :              -0.00460211573029
                3p
                   -1 :              -0.00066124992550
                   +0 :              -0.00044851924756
                   +1 :               0.00129014217512
                3d
                   -2 :              -0.00019492918599
                   -1 :              -0.00011950598192
                   +0 :              -0.00002666805346
                   +1 :               0.00003274802503
                   +2 :              -0.00006489130587
             10 vec=    -0.209805     14.851799     -1.580534   |vec|=   14.937136
                1s
                   +0 :              -0.00003161415231
                2s
                   +0 :               0.00038649162100
                3s
                   +0 :              -0.00006611548577
                2p
                   -1 :               0.00054691794374
                   +0 :               0.00019649253703
                   +1 :               0.00086138240991
                3p
                   -1 :              -0.00024320685240
                   +0 :              -0.00017650838539
                   +1 :               0.00000339421787
                3d
                   -2 :               0.00005046349132
                   -1 :              -0.00001156694222
                   +0 :               0.00000008192689
                   +1 :               0.00000634555701
                   +2 :               0.00000116187655
             11 vec=    15.350520     -3.115717     -1.580534   |vec|=   15.743070
                1s
                   +0 :               0.00002399433061
                2s
                   +0 :              -0.00035898353523
                3s
                   +0 :              -0.00003394565006
                2p
                   -1 :               0.00014893286349
                   +0 :               0.00005760917332
                   +1 :              -0.00010573242728
                3p
                   -1 :              -0.00007008961736
                   +0 :              -0.00031570696151
                   +1 :              -0.00019032975238
                3d
                   -2 :              -0.00001962520783
                   -1 :               0.00001179802813
                   +0 :               0.00003903882771
                   +1 :              -0.00001678567560
                   +2 :              -0.00001470947606
             12 vec=   -15.770130     -3.115717     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00001401853629
                2s
                   +0 :               0.00015082637361
                3s
                   +0 :              -0.00001745847935
                2p
                   -1 :              -0.00022450865201
                   +0 :               0.00025206693246
                   +1 :              -0.00029419086771
                3p
                   -1 :               0.00010098608670
                   +0 :               0.00002090447691
                   +1 :               0.00018018026137
                3d
                   -2 :              -0.00000492889918
                   -1 :              -0.00002179788396
                   +0 :              -0.00000510548247
                   +1 :               0.00000783420789
                   +2 :              -0.00001124799995
             13 vec=    15.350520      5.868041     -1.580534   |vec|=   16.509708
                1s
                   +0 :               0.00007525444096
                2s
                   +0 :              -0.00095807696137
                3s
                   +0 :               0.00001125040815
                2p
                   -1 :              -0.00083139756075
                   +0 :               0.00014633931344
                   +1 :               0.00005527759493
                3p
                   -1 :               0.00015851698140
                   +0 :              -0.00015354244312
                   +1 :              -0.00025877236301
                3d
                   -2 :               0.00000280913423
                   -1 :               0.00001820408441
                   +0 :               0.00003533094377
                   +1 :              -0.00001445785324
                   +2 :               0.00001724357732
             14 vec=   -15.770130      5.868041     -1.580534   |vec|=   16.900562
                1s
                   +0 :              -0.00012488247313
                2s
                   +0 :               0.00128150128372
                3s
                   +0 :              -0.00019781296097
                2p
                   -1 :               0.00039932679083
                   +0 :               0.00010362384957
                   +1 :              -0.00073507295665
                3p
                   -1 :              -0.00007435742170
                   +0 :               0.00003372725928
                   +1 :               0.00020906437140
                3d
                   -2 :              -0.00001572811745
                   -1 :              -0.00001256738889
                   +0 :              -0.00001711100954
                   +1 :               0.00001348349331
                   +2 :              -0.00001366645969
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 24)  npairs=  14
              1 vec=    -2.593388      1.739555     -1.580534   |vec|=    3.499971
                1s
                   +0 :              -0.01026022430364
                2s
                   +0 :               0.11531452839059
                3s
                   +0 :              -0.01494584785771
                2p
                   -1 :               0.03173627327218
                   +0 :               0.01139318169916
                   +1 :              -0.01569662017921
                3p
                   -1 :              -0.02203254233803
                   +0 :               0.00792845460921
                   +1 :               0.01686597085336
                3d
                   -2 :              -0.01099870386192
                   -1 :              -0.00283210126607
                   +0 :              -0.00826933694162
                   +1 :               0.00259937782482
                   +2 :               0.00053573099390
              2 vec=     5.186775     -2.752324     -1.580534   |vec|=    6.080790
                1s
                   +0 :               0.00052930924231
                2s
                   +0 :              -0.00535658507573
                3s
                   +0 :               0.00008226721601
                2p
                   -1 :               0.00078884677573
                   +0 :              -0.00214682803306
                   +1 :              -0.00199601783329
                3p
                   -1 :               0.00386668173732
                   +0 :               0.00022736569646
                   +1 :              -0.00086538392526
                3d
                   -2 :               0.00035210869382
                   -1 :              -0.00029774605791
                   +0 :               0.00039700185613
                   +1 :               0.00092474159919
                   +2 :              -0.00020722713137
              3 vec=    -2.593388     -7.244203     -1.580534   |vec|=    7.855076
                1s
                   +0 :               0.00019527047411
                2s
                   +0 :              -0.00313861326671
                3s
                   +0 :               0.00049313782448
                2p
                   -1 :               0.00471720164103
                   +0 :              -0.00092163605093
                   +1 :              -0.00060557141995
                3p
                   -1 :              -0.00060302804446
                   +0 :               0.00094320934628
                   +1 :              -0.00014045235835
                3d
                   -2 :              -0.00006246665235
                   -1 :              -0.00006835305165
                   +0 :               0.00024947601432
                   +1 :              -0.00007523902305
                   +2 :               0.00037124734093
              4 vec=     5.186775      6.231434     -1.580534   |vec|=    8.260236
                1s
                   +0 :               0.00275741109465
                2s
                   +0 :              -0.02441407523675
                3s
                   +0 :               0.00496722590906
                2p
                   -1 :              -0.01153047318750
                   +0 :              -0.00322502843673
                   +1 :              -0.00659997674437
                3p
                   -1 :              -0.00011238958434
                   +0 :               0.00201123687117
                   +1 :               0.00274367178725
                3d
                   -2 :              -0.00064674047609
                   -1 :              -0.00026995839401
                   +0 :               0.00060245718992
                   +1 :               0.00034605475934
                   +2 :               0.00095482244293
              5 vec=   -10.373550     -2.752324     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00024050776066
                2s
                   +0 :               0.00176909261608
                3s
                   +0 :              -0.00087361799051
                2p
                   -1 :              -0.00199403108661
                   +0 :               0.00172380351642
                   +1 :               0.00032194568019
                3p
                   -1 :               0.00038069673211
                   +0 :              -0.00004000243240
                   +1 :              -0.00024365576607
                3d
                   -2 :               0.00001881866658
                   -1 :              -0.00005205439111
                   +0 :              -0.00012884430137
                   +1 :               0.00000349615552
                   +2 :              -0.00008410414906
              6 vec=    -2.593388     10.723313     -1.580534   |vec|=   11.145097
                1s
                   +0 :              -0.00066630945307
                2s
                   +0 :               0.00647256094134
                3s
                   +0 :              -0.00142571352899
                2p
                   -1 :               0.00326095782445
                   +0 :               0.00041301515881
                   +1 :               0.00423445150721
                3p
                   -1 :              -0.00113185790574
                   +0 :              -0.00052781586057
                   +1 :              -0.00116885157518
                3d
                   -2 :               0.00011066938494
                   -1 :              -0.00000122721659
                   +0 :               0.00009294715727
                   +1 :              -0.00009988392979
                   +2 :               0.00001977309847
              7 vec=   -10.373550      6.231434     -1.580534   |vec|=   12.204073
                1s
                   +0 :              -0.00020887069762
                2s
                   +0 :               0.00236495810545
                3s
                   +0 :              -0.00002258232953
                2p
                   -1 :               0.00091209949247
                   +0 :               0.00000743345599
                   +1 :              -0.00103805260720
                3p
                   -1 :              -0.00050001724838
                   +0 :               0.00055436151203
                   +1 :              -0.00029414141692
                3d
                   -2 :               0.00009577981839
                   -1 :               0.00003033703944
                   +0 :              -0.00021881621186
                   +1 :              -0.00023222462619
                   +2 :               0.00007141985840
              8 vec=     5.186775    -11.736082     -1.580534   |vec|=   12.928122
                1s
                   +0 :              -0.00011328684527
                2s
                   +0 :               0.00159186994761
                3s
                   +0 :              -0.00025874314569
                2p
                   -1 :              -0.00180038954822
                   +0 :              -0.00013626951468
                   +1 :               0.00051539499101
                3p
                   -1 :               0.00052798375983
                   +0 :              -0.00015305233436
                   +1 :              -0.00012120378031
                3d
                   -2 :              -0.00004286619160
                   -1 :               0.00005004766743
                   +0 :              -0.00001420660043
                   +1 :               0.00001068405856
                   +2 :              -0.00001086733553
              9 vec=    12.966938      1.739555     -1.580534   |vec|=   13.178225
                1s
                   +0 :               0.00056770208625
                2s
                   +0 :              -0.00622171615827
                3s
                   +0 :               0.00080219260578
                2p
                   -1 :              -0.00167284439369
                   +0 :              -0.00045665900772
                   +1 :              -0.00545158638603
                3p
                   -1 :               0.00106681759246
                   +0 :               0.00013322876009
                   +1 :               0.00095075109588
                3d
                   -2 :              -0.00002489834789
                   -1 :              -0.00006940466752
                   +0 :               0.00002363258222
                   +1 :               0.00011098809552
                   +2 :              -0.00018269120070
             10 vec=    12.966938     -7.244203     -1.580534   |vec|=   14.937136
                1s
                   +0 :              -0.00002277127176
                2s
                   +0 :              -0.00017669382108
                3s
                   +0 :              -0.00012646484925
                2p
                   -1 :               0.00057353800593
                   +0 :              -0.00007164826068
                   +1 :              -0.00049525262088
                3p
                   -1 :               0.00012602421862
                   +0 :              -0.00002161838653
                   +1 :               0.00030068731393
                3d
                   -2 :               0.00003121790054
                   -1 :               0.00000559974189
                   +0 :               0.00000505392956
                   +1 :               0.00001558892436
                   +2 :               0.00005020390604
             11 vec=   -10.373550    -11.736082     -1.580534   |vec|=   15.743070
                1s
                   +0 :               0.00005837779207
                2s
                   +0 :              -0.00058973551581
                3s
                   +0 :               0.00011803336915
                2p
                   -1 :               0.00027164139851
                   +0 :               0.00006313575307
                   +1 :               0.00034840359522
                3p
                   -1 :              -0.00030624824176
                   +0 :               0.00012648824580
                   +1 :              -0.00018938735999
                3d
                   -2 :               0.00001910528175
                   -1 :              -0.00000905099177
                   +0 :              -0.00001982917423
                   +1 :              -0.00001213495835
                   +2 :              -0.00002243863020
             12 vec=     5.186775     15.215192     -1.580534   |vec|=   16.152486
                1s
                   +0 :               0.00006068781023
                2s
                   +0 :              -0.00059734887036
                3s
                   +0 :               0.00009125211998
                2p
                   -1 :              -0.00039576231650
                   +0 :              -0.00006856760153
                   +1 :               0.00019927147659
                3p
                   -1 :               0.00011751337002
                   +0 :              -0.00001874027442
                   +1 :              -0.00000697628756
                3d
                   -2 :               0.00001163205043
                   -1 :               0.00000651804369
                   +0 :               0.00000444502866
                   +1 :               0.00001647417917
                   +2 :              -0.00002127932112
             13 vec=    -2.593388    -16.227961     -1.580534   |vec|=   16.509708
                1s
                   +0 :               0.00003676132226
                2s
                   +0 :              -0.00035877786376
                3s
                   +0 :               0.00007401937038
                2p
                   -1 :               0.00038477357802
                   +0 :              -0.00013237549737
                   +1 :              -0.00016676466412
                3p
                   -1 :              -0.00018092357879
                   +0 :               0.00009916888461
                   +1 :               0.00003559392999
                3d
                   -2 :               0.00000115544513
                   -1 :               0.00000179808744
                   +0 :              -0.00000582913033
                   +1 :               0.00000601628489
                   +2 :              -0.00000198133367
             14 vec=    12.966938     10.723313     -1.580534   |vec|=   16.900562
                1s
                   +0 :               0.00013500877695
                2s
                   +0 :              -0.00144332711381
                3s
                   +0 :               0.00018509377458
                2p
                   -1 :              -0.00035481651882
                   +0 :              -0.00012235022513
                   +1 :              -0.00091828291352
                3p
                   -1 :               0.00012262487366
                   +0 :              -0.00000059140381
                   +1 :               0.00017253705122
                3d
                   -2 :               0.00000205307337
                   -1 :               0.00000234041156
                   +0 :               0.00002218700832
                   +1 :               0.00001929765978
                   +2 :              -0.00003298667280
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 25)  npairs=  14
              1 vec=    -2.803193     -1.376162     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00035914966274
                2s
                   +0 :               0.00206341569065
                3s
                   +0 :              -0.00134787634568
                2p
                   -1 :              -0.00152015047282
                   +0 :              -0.00014346850741
                   +1 :               0.00555547864741
                3p
                   -1 :               0.00092246966434
                   +0 :              -0.00127619324623
                   +1 :              -0.00497976219605
                3d
                   -2 :               0.00024395137966
                   -1 :              -0.00014960226618
                   +0 :              -0.00002534121044
                   +1 :               0.00026972499451
                   +2 :               0.00036707435485
              2 vec=     4.976970      3.115717     -5.671791   |vec|=    8.163770
                1s
                   +0 :               0.00190685888279
                2s
                   +0 :              -0.01774833667584
                3s
                   +0 :               0.00236857893217
                2p
                   -1 :               0.00317795974867
                   +0 :               0.00910349087625
                   +1 :              -0.00363856455596
                3p
                   -1 :              -0.00217841464261
                   +0 :               0.00052004694741
                   +1 :               0.00345948943783
                3d
                   -2 :               0.00003800440056
                   -1 :               0.00040166279843
                   +0 :              -0.00130390626712
                   +1 :               0.00022066034342
                   +2 :               0.00017989267189
              3 vec=     4.976970     -5.868041     -5.671791   |vec|=    9.558941
                1s
                   +0 :               0.00013686065991
                2s
                   +0 :              -0.00028548095762
                3s
                   +0 :               0.00040218780634
                2p
                   -1 :               0.00097669201446
                   +0 :              -0.00207895704393
                   +1 :               0.00012765112866
                3p
                   -1 :              -0.00101060752070
                   +0 :               0.00142576403908
                   +1 :               0.00037700677649
                3d
                   -2 :              -0.00018265059333
                   -1 :              -0.00001140970032
                   +0 :              -0.00009483201973
                   +1 :               0.00012059063585
                   +2 :              -0.00002123462977
              4 vec=    -2.803193      7.607596     -5.671791   |vec|=    9.894576
                1s
                   +0 :              -0.00021402190967
                2s
                   +0 :               0.00357185769364
                3s
                   +0 :               0.00022250818729
                2p
                   -1 :               0.00206285407365
                   +0 :              -0.00093078742206
                   +1 :               0.00037515892464
                3p
                   -1 :              -0.00018389185964
                   +0 :              -0.00010669627428
                   +1 :               0.00030883696720
                3d
                   -2 :              -0.00008921469548
                   -1 :              -0.00002506710525
                   +0 :              -0.00013982834766
                   +1 :              -0.00004828945965
                   +2 :              -0.00017444755343
              5 vec=    -2.803193    -10.359920     -5.671791   |vec|=   12.138989
                1s
                   +0 :              -0.00004016066193
                2s
                   +0 :               0.00021123180945
                3s
                   +0 :              -0.00015150186055
                2p
                   -1 :              -0.00047502623627
                   +0 :               0.00054165921131
                   +1 :              -0.00026071181729
                3p
                   -1 :               0.00024615181300
                   +0 :              -0.00014292407295
                   +1 :               0.00010539824847
                3d
                   -2 :               0.00001662972168
                   -1 :               0.00000201534024
                   +0 :               0.00002195282466
                   +1 :              -0.00002637034251
                   +2 :              -0.00002513442949
              6 vec=   -10.583355      3.115717     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00038561101389
                2s
                   +0 :               0.00401567518604
                3s
                   +0 :              -0.00065244842918
                2p
                   -1 :               0.00031573121432
                   +0 :              -0.00003658225950
                   +1 :              -0.00102837023879
                3p
                   -1 :              -0.00009278486827
                   +0 :               0.00003082525463
                   +1 :               0.00002643626754
                3d
                   -2 :              -0.00000373272607
                   -1 :               0.00001902038884
                   +0 :              -0.00003595213040
                   +1 :              -0.00002383658165
                   +2 :               0.00001812411407
              7 vec=   -10.583355     -5.868041     -5.671791   |vec|=   13.364525
                1s
                   +0 :              -0.00002358713781
                2s
                   +0 :               0.00027097022915
                3s
                   +0 :              -0.00002897709298
                2p
                   -1 :              -0.00088037851796
                   +0 :               0.00068291812076
                   +1 :               0.00004888351485
                3p
                   -1 :               0.00049316898933
                   +0 :              -0.00036419596090
                   +1 :              -0.00003395055802
                3d
                   -2 :               0.00002819078688
                   -1 :              -0.00002515425955
                   +0 :               0.00000087712757
                   +1 :               0.00001036568271
                   +2 :               0.00000812549988
              8 vec=    12.757133     -1.376162     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00016901231467
                2s
                   +0 :              -0.00197324876852
                3s
                   +0 :               0.00026256320516
                2p
                   -1 :               0.00069463786488
                   +0 :              -0.00025634724326
                   +1 :              -0.00069068061846
                3p
                   -1 :              -0.00006974206286
                   +0 :               0.00052824888408
                   +1 :               0.00004833082526
                3d
                   -2 :               0.00001562646091
                   -1 :              -0.00006844140168
                   +0 :               0.00005935558595
                   +1 :               0.00003391776243
                   +2 :               0.00000155456177
              9 vec=     4.976970     12.099475     -5.671791   |vec|=   14.259619
                1s
                   +0 :               0.00016145199306
                2s
                   +0 :              -0.00155191934236
                3s
                   +0 :               0.00037973804160
                2p
                   -1 :              -0.00073032394109
                   +0 :               0.00020770926859
                   +1 :               0.00032809782594
                3p
                   -1 :               0.00013335174487
                   +0 :              -0.00003650382543
                   +1 :              -0.00010545538590
                3d
                   -2 :              -0.00002060697403
                   -1 :              -0.00002833872285
                   +0 :               0.00003883960257
                   +1 :              -0.00001097294589
                   +2 :              -0.00000726163097
             10 vec=    12.757133      7.607596     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00003810999344
                2s
                   +0 :              -0.00065454696214
                3s
                   +0 :              -0.00007691370683
                2p
                   -1 :               0.00024941478182
                   +0 :              -0.00040227680158
                   +1 :              -0.00027780968970
                3p
                   -1 :              -0.00028942185186
                   +0 :               0.00020669255325
                   +1 :              -0.00002523012132
                3d
                   -2 :              -0.00002069377059
                   -1 :              -0.00003101555620
                   +0 :               0.00000569241284
                   +1 :              -0.00002100727359
                   +2 :              -0.00000337372012
             11 vec=     4.976970    -14.851799     -5.671791   |vec|=   16.658793
                1s
                   +0 :              -0.00002311724292
                2s
                   +0 :               0.00023053203239
                3s
                   +0 :              -0.00004321166288
                2p
                   -1 :              -0.00004528880779
                   +0 :              -0.00016885713462
                   +1 :              -0.00006086152319
                3p
                   -1 :              -0.00001353601627
                   +0 :               0.00000590704316
                   +1 :               0.00000971466822
                3d
                   -2 :               0.00000224885537
                   -1 :               0.00000736259000
                   +0 :               0.00001234565196
                   +1 :               0.00000198524389
                   +2 :               0.00000120842286
             12 vec=   -10.583355     12.099475     -5.671791   |vec|=   17.046229
                1s
                   +0 :              -0.00019564467797
                2s
                   +0 :               0.00190304927175
                3s
                   +0 :              -0.00034906726774
                2p
                   -1 :               0.00039812097182
                   +0 :              -0.00046147851204
                   +1 :              -0.00011754396048
                3p
                   -1 :              -0.00015205841212
                   +0 :               0.00014227616883
                   +1 :              -0.00014037824105
                3d
                   -2 :               0.00001566030978
                   -1 :               0.00001724212908
                   +0 :               0.00003383364123
                   +1 :               0.00001484426504
                   +2 :               0.00000254151823
             13 vec=    12.757133    -10.359920     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00002077636095
                2s
                   +0 :              -0.00016926170286
                3s
                   +0 :               0.00005825778764
                2p
                   -1 :               0.00026463350438
                   +0 :              -0.00012552141655
                   +1 :               0.00000375472382
                3p
                   -1 :              -0.00011909393907
                   +0 :               0.00005351410903
                   +1 :               0.00004347090049
                3d
                   -2 :               0.00000087342640
                   -1 :              -0.00000110205433
                   +0 :              -0.00000436481859
                   +1 :              -0.00000512823369
                   +2 :              -0.00000296242606
             14 vec=    -2.803193     16.591354     -5.671791   |vec|=   17.756693
                1s
                   +0 :              -0.00002821231682
                2s
                   +0 :               0.00034660863622
                3s
                   +0 :              -0.00002738670235
                2p
                   -1 :               0.00015188783518
                   +0 :               0.00005572160372
                   +1 :               0.00015552931282
                3p
                   -1 :              -0.00000483886643
                   +0 :              -0.00005330949566
                   +1 :               0.00005780716033
                3d
                   -2 :               0.00002187623967
                   -1 :               0.00000448918669
                   +0 :               0.00000658238498
                   +1 :               0.00000535611479
                   +2 :               0.00000700402598
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 26)  npairs=  14
              1 vec=     0.209805      3.115717     -5.671791   |vec|=    6.474637
                1s
                   +0 :               0.00001282915883
                2s
                   +0 :               0.00027912903447
                3s
                   +0 :               0.00067360614432
                2p
                   -1 :              -0.00004573000722
                   +0 :              -0.00063532758705
                   +1 :              -0.00303361843904
                3p
                   -1 :               0.00021104706041
                   +0 :              -0.00031315197138
                   +1 :               0.00291526490226
                3d
                   -2 :              -0.00048445940151
                   -1 :              -0.00013557664887
                   +0 :               0.00010851281740
                   +1 :               0.00035221966894
                   +2 :               0.00015471083749
              2 vec=     0.209805     -5.868041     -5.671791   |vec|=    8.163770
                1s
                   +0 :              -0.00021430478400
                2s
                   +0 :               0.00236459506913
                3s
                   +0 :              -0.00025812401502
                2p
                   -1 :               0.00056059277162
                   +0 :              -0.00288029354693
                   +1 :              -0.00259319060873
                3p
                   -1 :              -0.00059170055007
                   +0 :               0.00060709276900
                   +1 :               0.00032015203243
                3d
                   -2 :               0.00029337050388
                   -1 :               0.00009021565461
                   +0 :               0.00006067023216
                   +1 :              -0.00007123370265
                   +2 :              -0.00002671784292
              3 vec=    -7.570358     -1.376162     -5.671791   |vec|=    9.558941
                1s
                   +0 :              -0.00019638343524
                2s
                   +0 :               0.00201563201088
                3s
                   +0 :              -0.00022349265143
                2p
                   -1 :              -0.00218649118343
                   +0 :               0.00264182696017
                   +1 :              -0.00096185182170
                3p
                   -1 :               0.00059636399909
                   +0 :              -0.00171460576278
                   +1 :               0.00054206619949
                3d
                   -2 :              -0.00006273177500
                   -1 :               0.00006040626018
                   +0 :              -0.00000612457038
                   +1 :               0.00021831203688
                   +2 :              -0.00004671671588
              4 vec=     7.989968     -1.376162     -5.671791   |vec|=    9.894576
                1s
                   +0 :               0.00020943994795
                2s
                   +0 :              -0.00330476259759
                3s
                   +0 :              -0.00019771151624
                2p
                   -1 :               0.00135711515961
                   +0 :               0.00076197839504
                   +1 :               0.00065121646165
                3p
                   -1 :              -0.00009511836472
                   +0 :               0.00040197772807
                   +1 :              -0.00133065989987
                3d
                   -2 :               0.00006772870541
                   -1 :              -0.00005388212958
                   +0 :               0.00011911980865
                   +1 :               0.00000111664503
                   +2 :              -0.00006633187169
              5 vec=    -7.570358      7.607596     -5.671791   |vec|=   12.138989
                1s
                   +0 :              -0.00023154475492
                2s
                   +0 :               0.00402172252981
                3s
                   +0 :               0.00014105751876
                2p
                   -1 :              -0.00018443861258
                   +0 :              -0.00175773711985
                   +1 :              -0.00105558778943
                3p
                   -1 :               0.00051694629386
                   +0 :               0.00004981334351
                   +1 :              -0.00002815810184
                3d
                   -2 :              -0.00000876229104
                   -1 :               0.00002427505860
                   +0 :               0.00005825048945
                   +1 :               0.00012339372911
                   +2 :              -0.00002163806657
              6 vec=     7.989968      7.607596     -5.671791   |vec|=   12.405012
                1s
                   +0 :               0.00040182613506
                2s
                   +0 :              -0.00428723701147
                3s
                   +0 :               0.00069170676668
                2p
                   -1 :              -0.00072059073033
                   +0 :               0.00040421639597
                   +1 :              -0.00075189300763
                3p
                   -1 :               0.00007119480142
                   +0 :              -0.00013047020490
                   +1 :               0.00004848523149
                3d
                   -2 :               0.00001952156679
                   -1 :              -0.00002804428859
                   +0 :               0.00001174740500
                   +1 :              -0.00004285120864
                   +2 :               0.00001040570294
              7 vec=     0.209805     12.099475     -5.671791   |vec|=   13.364525
                1s
                   +0 :              -0.00003001658516
                2s
                   +0 :               0.00018754818306
                3s
                   +0 :              -0.00014444199907
                2p
                   -1 :              -0.00030288523413
                   +0 :              -0.00023172215140
                   +1 :               0.00118171863573
                3p
                   -1 :               0.00013527488800
                   +0 :               0.00029464468689
                   +1 :              -0.00025292782389
                3d
                   -2 :               0.00003498035038
                   -1 :               0.00002056853392
                   +0 :               0.00000787672933
                   +1 :              -0.00002852776552
                   +2 :               0.00001754879718
              8 vec=    -7.570358    -10.359920     -5.671791   |vec|=   14.028809
                1s
                   +0 :              -0.00000353930372
                2s
                   +0 :              -0.00017045382687
                3s
                   +0 :              -0.00006847450870
                2p
                   -1 :               0.00025205664050
                   +0 :               0.00047339343065
                   +1 :              -0.00050642066241
                3p
                   -1 :              -0.00001912157875
                   +0 :              -0.00028064643117
                   +1 :               0.00042705213211
                3d
                   -2 :              -0.00004068916158
                   -1 :               0.00000017692641
                   +0 :               0.00001932601079
                   +1 :               0.00000153862020
                   +2 :               0.00000226645497
              9 vec=     7.989968    -10.359920     -5.671791   |vec|=   14.259619
                1s
                   +0 :              -0.00005787386263
                2s
                   +0 :               0.00059458268547
                3s
                   +0 :              -0.00012527550998
                2p
                   -1 :              -0.00039216768781
                   +0 :              -0.00049848194330
                   +1 :               0.00035375349184
                3p
                   -1 :               0.00010269491707
                   +0 :               0.00020168790681
                   +1 :              -0.00015754345985
                3d
                   -2 :               0.00000780119390
                   -1 :               0.00000904274417
                   +0 :              -0.00001035031511
                   +1 :               0.00001603649782
                   +2 :              -0.00001544029975
             10 vec=     0.209805    -14.851799     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00001183990430
                2s
                   +0 :              -0.00011962193534
                3s
                   +0 :               0.00002912119882
                2p
                   -1 :               0.00003524258190
                   +0 :               0.00007661314960
                   +1 :              -0.00018072546105
                3p
                   -1 :              -0.00001194081240
                   +0 :              -0.00003380044762
                   +1 :               0.00008037576616
                3d
                   -2 :               0.00000176285908
                   -1 :              -0.00000129048375
                   +0 :              -0.00000404370241
                   +1 :               0.00000384424864
                   +2 :               0.00000286513276
             11 vec=   -15.350520      3.115717     -5.671791   |vec|=   16.658793
                1s
                   +0 :              -0.00013751255099
                2s
                   +0 :               0.00149183777211
                3s
                   +0 :              -0.00018688537738
                2p
                   -1 :              -0.00001800353826
                   +0 :              -0.00000463129208
                   +1 :              -0.00060244891774
                3p
                   -1 :               0.00005908085897
                   +0 :              -0.00017738203225
                   +1 :               0.00019174074783
                3d
                   -2 :              -0.00001121757653
                   -1 :              -0.00002093286180
                   +0 :               0.00001450983467
                   +1 :               0.00002791779791
                   +2 :               0.00000877811332
             12 vec=    15.770130      3.115717     -5.671791   |vec|=   17.046229
                1s
                   +0 :               0.00017883755429
                2s
                   +0 :              -0.00171936021957
                3s
                   +0 :               0.00030545408112
                2p
                   -1 :               0.00003287458906
                   +0 :               0.00025015172536
                   +1 :              -0.00036862242245
                3p
                   -1 :              -0.00011934981134
                   +0 :              -0.00002866113109
                   +1 :               0.00005200052145
                3d
                   -2 :               0.00001121568985
                   -1 :               0.00002323490086
                   +0 :              -0.00003480775593
                   +1 :              -0.00000559111882
                   +2 :               0.00001345762093
             13 vec=   -15.350520     -5.868041     -5.671791   |vec|=   17.385097
                1s
                   +0 :              -0.00002478398773
                2s
                   +0 :               0.00026592892170
                3s
                   +0 :              -0.00004293417810
                2p
                   -1 :              -0.00012783494445
                   +0 :               0.00011216351932
                   +1 :              -0.00015820458187
                3p
                   -1 :               0.00003942814386
                   +0 :              -0.00004517191875
                   +1 :               0.00008799994071
                3d
                   -2 :              -0.00000592129946
                   -1 :              -0.00000724047711
                   +0 :               0.00000188255454
                   +1 :               0.00000541173943
                   +2 :              -0.00000598363215
             14 vec=    15.770130     -5.868041     -5.671791   |vec|=   17.756693
                1s
                   +0 :               0.00002927876076
                2s
                   +0 :              -0.00030904557460
                3s
                   +0 :               0.00001016848493
                2p
                   -1 :               0.00014021428129
                   +0 :              -0.00021722518063
                   +1 :              -0.00008424584629
                3p
                   -1 :               0.00002165574333
                   +0 :               0.00011523898147
                   +1 :               0.00002930427774
                3d
                   -2 :               0.00000518372179
                   -1 :               0.00001017578280
                   +0 :              -0.00000391009873
                   +1 :               0.00000402302968
                   +2 :               0.00001268945286
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 27)  npairs=  14
              1 vec=     2.593388     -1.739555     -5.671791   |vec|=    6.474637
                1s
                   +0 :               0.00034632050392
                2s
                   +0 :              -0.00234254472511
                3s
                   +0 :               0.00067427020135
                2p
                   -1 :              -0.00822131651246
                   +0 :               0.00077879609446
                   +1 :              -0.00001595547489
                3p
                   -1 :               0.00740405239309
                   +0 :               0.00158934521760
                   +1 :              -0.00041613859907
                3d
                   -2 :               0.00006365818995
                   -1 :              -0.00007114697379
                   +0 :              -0.00008317160696
                   +1 :               0.00029882579083
                   +2 :              -0.00036992964471
              2 vec=    -5.186775      2.752324     -5.671791   |vec|=    8.163770
                1s
                   +0 :              -0.00169255409878
                2s
                   +0 :               0.01538374160671
                3s
                   +0 :              -0.00211045491715
                2p
                   -1 :               0.00277459665489
                   +0 :              -0.00622319732932
                   +1 :              -0.00084917128920
                3p
                   -1 :              -0.00410380354047
                   +0 :              -0.00112713971641
                   +1 :               0.00051568602246
                3d
                   -2 :               0.00034461740673
                   -1 :              -0.00000684843258
                   +0 :               0.00124323603496
                   +1 :               0.00034443445887
                   +2 :               0.00029774094723
              3 vec=     2.593388      7.244203     -5.671791   |vec|=    9.558941
                1s
                   +0 :               0.00005952277533
                2s
                   +0 :              -0.00173015105326
                3s
                   +0 :              -0.00017869515491
                2p
                   -1 :              -0.00154843681699
                   +0 :              -0.00056286991624
                   +1 :               0.00232229665968
                3p
                   -1 :              -0.00006417610736
                   +0 :               0.00028884172371
                   +1 :              -0.00093214167131
                3d
                   -2 :              -0.00010062305025
                   -1 :               0.00010912749571
                   +0 :               0.00010095659011
                   +1 :               0.00010725689018
                   +2 :               0.00006987707025
              4 vec=    -5.186775     -6.231434     -5.671791   |vec|=    9.894576
                1s
                   +0 :               0.00000458196172
                2s
                   +0 :              -0.00026709509605
                3s
                   +0 :              -0.00002479667105
                2p
                   -1 :               0.00194905745658
                   +0 :               0.00016880902702
                   +1 :               0.00112437552114
                3p
                   -1 :              -0.00155935104848
                   +0 :              -0.00029528145379
                   +1 :              -0.00058779156811
                3d
                   -2 :              -0.00010437392197
                   -1 :               0.00000331232434
                   +0 :               0.00002070853901
                   +1 :               0.00000136813577
                   +2 :               0.00001552725957
              5 vec=    10.373550      2.752324     -5.671791   |vec|=   12.138989
                1s
                   +0 :               0.00027170541685
                2s
                   +0 :              -0.00423295433926
                3s
                   +0 :               0.00001044434179
                2p
                   -1 :              -0.00101811520915
                   +0 :               0.00121607790854
                   +1 :              -0.00090980606750
                3p
                   -1 :               0.00026588586123
                   +0 :               0.00009311072944
                   +1 :              -0.00019589482631
                3d
                   -2 :               0.00000090577621
                   -1 :               0.00014284469002
                   +0 :              -0.00008020331410
                   +1 :               0.00002923421173
                   +2 :              -0.00004537637610
              6 vec=     2.593388    -10.723313     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00001621512118
                2s
                   +0 :               0.00027156182543
                3s
                   +0 :              -0.00003925833751
                2p
                   -1 :               0.00003700654775
                   +0 :              -0.00036763413647
                   +1 :               0.00000734950736
                3p
                   -1 :               0.00000829992948
                   +0 :               0.00009964495027
                   +1 :              -0.00010454981014
                3d
                   -2 :               0.00001457876048
                   -1 :              -0.00002097909989
                   +0 :               0.00002420472540
                   +1 :               0.00000741531113
                   +2 :               0.00003440371687
              7 vec=    10.373550     -6.231434     -5.671791   |vec|=   13.364525
                1s
                   +0 :               0.00005360372297
                2s
                   +0 :              -0.00045851841221
                3s
                   +0 :               0.00017341909205
                2p
                   -1 :               0.00038943211694
                   +0 :              -0.00045119596936
                   +1 :               0.00011517722098
                3p
                   -1 :               0.00012458206357
                   +0 :               0.00006955127401
                   +1 :               0.00016650619267
                3d
                   -2 :               0.00002342475378
                   -1 :              -0.00003597557702
                   +0 :              -0.00000875385690
                   +1 :              -0.00004867814208
                   +2 :               0.00001871708300
              8 vec=    -5.186775     11.736082     -5.671791   |vec|=   14.028809
                1s
                   +0 :              -0.00016547301095
                2s
                   +0 :               0.00214370259538
                3s
                   +0 :              -0.00019408869646
                2p
                   -1 :               0.00063292105553
                   +0 :              -0.00021704618739
                   +1 :              -0.00021526405688
                3p
                   -1 :               0.00028355045188
                   +0 :              -0.00024760245291
                   +1 :               0.00019385285349
                3d
                   -2 :              -0.00001314786793
                   -1 :              -0.00006217339736
                   +0 :              -0.00007868159674
                   +1 :              -0.00004169702397
                   +2 :              -0.00004686025134
              9 vec=   -12.966938     -1.739555     -5.671791   |vec|=   14.259619
                1s
                   +0 :              -0.00010357813043
                2s
                   +0 :               0.00095733665689
                3s
                   +0 :              -0.00025446253162
                2p
                   -1 :              -0.00053902735604
                   +0 :               0.00029077267471
                   +1 :               0.00004807375310
                3p
                   -1 :               0.00007291373569
                   +0 :              -0.00016518408138
                   +1 :              -0.00010494983120
                3d
                   -2 :               0.00000068004486
                   -1 :               0.00001374287506
                   +0 :              -0.00002848928746
                   +1 :              -0.00002984152410
                   +2 :               0.00001325122974
             10 vec=   -12.966938      7.244203     -5.671791   |vec|=   15.899345
                1s
                   +0 :              -0.00004994989774
                2s
                   +0 :               0.00077416889748
                3s
                   +0 :               0.00004779250801
                2p
                   -1 :               0.00022640609018
                   +0 :               0.00032566365198
                   +1 :              -0.00004378900946
                3p
                   -1 :              -0.00005922395078
                   +0 :              -0.00017289210563
                   +1 :              -0.00021273280682
                3d
                   -2 :              -0.00001486846085
                   -1 :               0.00000536902960
                   +0 :              -0.00000164871043
                   +1 :              -0.00003432418034
                   +2 :               0.00001919371810
             11 vec=    10.373550     11.736082     -5.671791   |vec|=   16.658793
                1s
                   +0 :               0.00016062979391
                2s
                   +0 :              -0.00172236980450
                3s
                   +0 :               0.00023009704025
                2p
                   -1 :              -0.00050067461507
                   +0 :               0.00017348842670
                   +1 :              -0.00035528495702
                3p
                   -1 :               0.00018041163044
                   +0 :               0.00017147498909
                   +1 :               0.00003783964932
                3d
                   -2 :              -0.00001103990482
                   -1 :               0.00001567311467
                   +0 :              -0.00002685548662
                   +1 :               0.00003945610097
                   +2 :              -0.00000666900404
             12 vec=    -5.186775    -15.215192     -5.671791   |vec|=   17.046229
                1s
                   +0 :               0.00001680712368
                2s
                   +0 :              -0.00018368905218
                3s
                   +0 :               0.00004361318662
                2p
                   -1 :              -0.00000194254598
                   +0 :               0.00021132678669
                   +1 :               0.00007322945464
                3p
                   -1 :               0.00003090078374
                   +0 :              -0.00011361503774
                   +1 :              -0.00007251533899
                3d
                   -2 :               0.00000398437756
                   -1 :               0.00000254095341
                   +0 :               0.00000097411470
                   +1 :              -0.00000056331950
                   +2 :               0.00000415041581
             13 vec=     2.593388     16.227961     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00000400762678
                2s
                   +0 :              -0.00009666721884
                3s
                   +0 :              -0.00001532360955
                2p
                   -1 :              -0.00007186159314
                   +0 :               0.00001335789723
                   +1 :               0.00026266271785
                3p
                   -1 :              -0.00000126961757
                   +0 :              -0.00000834219028
                   +1 :              -0.00007154873029
                3d
                   -2 :               0.00000009250469
                   -1 :               0.00000495661875
                   +0 :               0.00000248226405
                   +1 :               0.00000545778294
                   +2 :              -0.00001035743431
             14 vec=   -12.966938    -10.723313     -5.671791   |vec|=   17.756693
                1s
                   +0 :              -0.00000106644395
                2s
                   +0 :              -0.00003756306162
                3s
                   +0 :               0.00001721821742
                2p
                   -1 :              -0.00006160032075
                   +0 :               0.00016150357690
                   +1 :               0.00004575132749
                3p
                   -1 :              -0.00001627578195
                   +0 :              -0.00006192948581
                   +1 :               0.00002061071392
                3d
                   -2 :               0.00000860625663
                   -1 :               0.00000617799917
                   +0 :              -0.00000267228624
                   +1 :              -0.00000023516446
                   +2 :              -0.00000460940512
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 28)  npairs=  13
              1 vec=     0.209286     -3.115418      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00045606081961
                2s
                   +0 :              -0.00118595517897
                3s
                   +0 :               0.00160601771724
                2p
                   -1 :              -0.00176071080759
                   +0 :               0.00934171039312
                   +1 :              -0.01094716021252
                3p
                   -1 :               0.00176112766771
                   +0 :              -0.00512882106293
                   +1 :              -0.00079789337457
                3d
                   -2 :               0.00050319251261
                   -1 :               0.00001605512721
                   +0 :              -0.00007471452123
                   +1 :              -0.00123931244518
                   +2 :               0.00006091496912
              2 vec=     0.209286      5.868340      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00014878472496
                2s
                   +0 :              -0.00015496940443
                3s
                   +0 :              -0.00015462534246
                2p
                   -1 :              -0.00158218911057
                   +0 :              -0.00398116023833
                   +1 :               0.00029517547338
                3p
                   -1 :               0.00091222259527
                   +0 :               0.00260964501741
                   +1 :               0.00085827305146
                3d
                   -2 :               0.00009828394376
                   -1 :               0.00011142409117
                   +0 :               0.00011065753165
                   +1 :               0.00020252291340
                   +2 :              -0.00004836492901
              3 vec=    -7.570876      1.376461      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00017759483092
                2s
                   +0 :               0.00056375092617
                3s
                   +0 :              -0.00092442624478
                2p
                   -1 :              -0.00210824752716
                   +0 :               0.00135949741729
                   +1 :               0.00031202340152
                3p
                   -1 :               0.00003113496496
                   +0 :              -0.00158500141211
                   +1 :               0.00019709861551
                3d
                   -2 :               0.00007006993765
                   -1 :              -0.00031897836681
                   +0 :               0.00000062917048
                   +1 :               0.00012420567227
                   +2 :               0.00006614739251
              4 vec=     7.989449      1.376461      6.601980   |vec|=   10.455242
                1s
                   +0 :              -0.00015145458938
                2s
                   +0 :               0.00159407273437
                3s
                   +0 :              -0.00000138558806
                2p
                   -1 :               0.00307638270160
                   +0 :              -0.00067320741791
                   +1 :               0.00197921796094
                3p
                   -1 :              -0.00087592592963
                   +0 :               0.00069512223564
                   +1 :              -0.00070073408837
                3d
                   -2 :               0.00007439008950
                   -1 :               0.00007594041618
                   +0 :               0.00006621026727
                   +1 :              -0.00004324702361
                   +2 :              -0.00003281344348
              5 vec=    -7.570876     -7.607297      6.601980   |vec|=   12.600606
                1s
                   +0 :               0.00026078332469
                2s
                   +0 :              -0.00361744409240
                3s
                   +0 :              -0.00007891728574
                2p
                   -1 :               0.00110097777451
                   +0 :               0.00003183462352
                   +1 :               0.00113219679302
                3p
                   -1 :               0.00005933944855
                   +0 :              -0.00040830693884
                   +1 :              -0.00064331680674
                3d
                   -2 :              -0.00008166323836
                   -1 :              -0.00006661417417
                   +0 :              -0.00009247913985
                   +1 :              -0.00001862429386
                   +2 :               0.00007001167076
              6 vec=     7.989449     -7.607297      6.601980   |vec|=   12.856453
                1s
                   +0 :              -0.00055074089914
                2s
                   +0 :               0.00515396122886
                3s
                   +0 :              -0.00094823652040
                2p
                   -1 :              -0.00150462571656
                   +0 :               0.00057546110960
                   +1 :              -0.00051290961671
                3p
                   -1 :               0.00021226661969
                   +0 :              -0.00038729882802
                   +1 :               0.00102009250601
                3d
                   -2 :              -0.00001315230079
                   -1 :               0.00012470513437
                   +0 :               0.00008012078689
                   +1 :               0.00000205830150
                   +2 :              -0.00004830960748
              7 vec=     0.209286    -12.099176      6.601980   |vec|=   13.784774
                1s
                   +0 :              -0.00001098231831
                2s
                   +0 :               0.00006310397739
                3s
                   +0 :              -0.00002284466013
                2p
                   -1 :               0.00008245039256
                   +0 :              -0.00000723074730
                   +1 :              -0.00064100235882
                3p
                   -1 :              -0.00008125619847
                   +0 :              -0.00005672408982
                   +1 :               0.00004908520367
                3d
                   -2 :               0.00004028612663
                   -1 :               0.00001413354887
                   +0 :               0.00002352495183
                   +1 :               0.00003469475306
                   +2 :              -0.00000213460135
              8 vec=    -7.570876     10.360219      6.601980   |vec|=   14.430470
                1s
                   +0 :              -0.00005331988373
                2s
                   +0 :               0.00057251071061
                3s
                   +0 :              -0.00003906480162
                2p
                   -1 :              -0.00017791846406
                   +0 :              -0.00017532397183
                   +1 :              -0.00004000646718
                3p
                   -1 :               0.00016186636127
                   +0 :               0.00033646704716
                   +1 :               0.00009994270884
                3d
                   -2 :               0.00001101080178
                   -1 :               0.00003866879414
                   +0 :               0.00000402376735
                   +1 :               0.00000040577780
                   +2 :              -0.00001755052303
              9 vec=     7.989449     10.360219      6.601980   |vec|=   14.654405
                1s
                   +0 :               0.00002354318757
                2s
                   +0 :              -0.00031943435188
                3s
                   +0 :               0.00005624435688
                2p
                   -1 :              -0.00010617001304
                   +0 :              -0.00011723459521
                   +1 :               0.00014535283453
                3p
                   -1 :               0.00009551693964
                   +0 :               0.00006217114072
                   +1 :              -0.00004386724279
                3d
                   -2 :               0.00002018947721
                   -1 :              -0.00000642583114
                   +0 :              -0.00001120014573
                   +1 :               0.00002437404430
                   +2 :               0.00000111053384
             10 vec=     0.209286     14.852098      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00001107537083
                2s
                   +0 :               0.00004847419402
                3s
                   +0 :              -0.00004148202224
                2p
                   -1 :              -0.00003057121815
                   +0 :               0.00005739571240
                   +1 :               0.00015305104189
                3p
                   -1 :              -0.00000273166853
                   +0 :              -0.00003977794727
                   +1 :              -0.00003277053103
                3d
                   -2 :               0.00000885949371
                   -1 :              -0.00000840167412
                   +0 :               0.00000003287558
                   +1 :               0.00000260445726
                   +2 :               0.00001096089427
             11 vec=   -15.351039     -3.115418      6.601980   |vec|=   16.998422
                1s
                   +0 :               0.00014076776779
                2s
                   +0 :              -0.00145643954348
                3s
                   +0 :               0.00023340247084
                2p
                   -1 :              -0.00010113842146
                   +0 :              -0.00012075834834
                   +1 :               0.00086406489110
                3p
                   -1 :               0.00012141758432
                   +0 :               0.00006956012643
                   +1 :              -0.00041403195967
                3d
                   -2 :              -0.00002471838965
                   -1 :              -0.00001165498956
                   +0 :              -0.00001311462057
                   +1 :              -0.00001376446477
                   +2 :               0.00000480852803
             12 vec=    15.769612     -3.115418      6.601980   |vec|=   17.377359
                1s
                   +0 :              -0.00007666785983
                2s
                   +0 :               0.00083810682285
                3s
                   +0 :              -0.00008973998637
                2p
                   -1 :               0.00010793834509
                   +0 :              -0.00019535615851
                   +1 :               0.00028214221031
                3p
                   -1 :              -0.00009546328837
                   +0 :               0.00014823467361
                   +1 :               0.00000902367977
                3d
                   -2 :               0.00000215640581
                   -1 :              -0.00000073846683
                   +0 :               0.00000045127509
                   +1 :               0.00000739445170
                   +2 :              -0.00000448888326
             13 vec=   -15.351039      5.868340      6.601980   |vec|=   17.710956
                1s
                   +0 :              -0.00002161303441
                2s
                   +0 :               0.00023067545050
                3s
                   +0 :              -0.00003291554583
                2p
                   -1 :              -0.00027435314376
                   +0 :               0.00032289299660
                   +1 :              -0.00016435557595
                3p
                   -1 :               0.00013323860192
                   +0 :              -0.00018368848977
                   +1 :               0.00006873396754
                3d
                   -2 :              -0.00000039893777
                   -1 :               0.00000456339288
                   +0 :              -0.00000236326635
                   +1 :               0.00000552046923
                   +2 :               0.00000346000096
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 29)  npairs=  13
              1 vec=    -2.802674      1.376461      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00050277783263
                2s
                   +0 :              -0.00311308506948
                3s
                   +0 :               0.00177827112076
                2p
                   -1 :              -0.00445132086225
                   +0 :              -0.00683916979399
                   +1 :               0.00075851000801
                3p
                   -1 :              -0.00087452513119
                   +0 :               0.00622521310361
                   +1 :              -0.00282565809548
                3d
                   -2 :              -0.00013110718912
                   -1 :              -0.00054883925239
                   +0 :               0.00089040533009
                   +1 :              -0.00046514584582
                   +2 :               0.00045262505103
              2 vec=     4.977489     -3.115418      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00256959761417
                2s
                   +0 :               0.02435837854897
                3s
                   +0 :              -0.00259528960818
                2p
                   -1 :              -0.00128712407248
                   +0 :               0.01688874649998
                   +1 :               0.00983691532200
                3p
                   -1 :              -0.00205227995771
                   +0 :              -0.00150043376720
                   +1 :              -0.00240068760788
                3d
                   -2 :              -0.00040254172806
                   -1 :              -0.00087657580127
                   +0 :               0.00102545646684
                   +1 :               0.00109859700161
                   +2 :               0.00010143266674
              3 vec=     4.977489      5.868340      6.601980   |vec|=   10.138982
                1s
                   +0 :               0.00023655707182
                2s
                   +0 :              -0.00224659101986
                3s
                   +0 :               0.00063320358744
                2p
                   -1 :               0.00075057227794
                   +0 :              -0.00282791822068
                   +1 :               0.00078638590012
                3p
                   -1 :              -0.00089994276276
                   +0 :               0.00094431928604
                   +1 :              -0.00062233137227
                3d
                   -2 :              -0.00001732233457
                   -1 :              -0.00018921913601
                   +0 :              -0.00001968165613
                   +1 :               0.00006313059463
                   +2 :               0.00008692909114
              4 vec=    -2.802674     -7.607297      6.601980   |vec|=   10.455242
                1s
                   +0 :               0.00027207362344
                2s
                   +0 :              -0.00250741595232
                3s
                   +0 :               0.00006457013329
                2p
                   -1 :               0.00287945850446
                   +0 :               0.00058824582587
                   +1 :              -0.00181566098143
                3p
                   -1 :              -0.00076794835648
                   +0 :              -0.00168939777450
                   +1 :               0.00059282193244
                3d
                   -2 :               0.00011455523860
                   -1 :               0.00014993774566
                   +0 :              -0.00011404871584
                   +1 :              -0.00003385909359
                   +2 :               0.00002371800149
              5 vec=    -2.802674     10.360219      6.601980   |vec|=   12.600606
                1s
                   +0 :              -0.00006102840739
                2s
                   +0 :               0.00087930744477
                3s
                   +0 :              -0.00001887802579
                2p
                   -1 :               0.00067478897178
                   +0 :               0.00045351545382
                   +1 :               0.00016219223516
                3p
                   -1 :              -0.00052314923248
                   +0 :               0.00007777858945
                   +1 :               0.00002682826714
                3d
                   -2 :               0.00000129253120
                   -1 :               0.00000345805141
                   +0 :               0.00003676200270
                   +1 :              -0.00000417040574
                   +2 :               0.00001264954192
              6 vec=   -10.582837     -3.115418      6.601980   |vec|=   12.856453
                1s
                   +0 :               0.00043808459266
                2s
                   +0 :              -0.00413834450031
                3s
                   +0 :               0.00076075185784
                2p
                   -1 :              -0.00120142299536
                   +0 :              -0.00019727960796
                   +1 :               0.00058530892840
                3p
                   -1 :               0.00088571144863
                   +0 :               0.00027982486154
                   +1 :               0.00053032916381
                3d
                   -2 :               0.00001944184472
                   -1 :               0.00005469503577
                   +0 :              -0.00008175479724
                   +1 :              -0.00008772272378
                   +2 :               0.00000194428068
              7 vec=   -10.582837      5.868340      6.601980   |vec|=   13.784774
                1s
                   +0 :              -0.00012378328634
                2s
                   +0 :               0.00116199735660
                3s
                   +0 :              -0.00025895106414
                2p
                   -1 :               0.00010681675856
                   +0 :               0.00093035894835
                   +1 :              -0.00056221142607
                3p
                   -1 :              -0.00031188185001
                   +0 :              -0.00011649298257
                   +1 :               0.00024358866498
                3d
                   -2 :              -0.00000255467845
                   -1 :               0.00003432268147
                   +0 :              -0.00000447813643
                   +1 :               0.00000156667429
                   +2 :               0.00001552261765
              8 vec=    12.757651      1.376461      6.601980   |vec|=   14.430470
                1s
                   +0 :              -0.00005638510691
                2s
                   +0 :               0.00077914704806
                3s
                   +0 :              -0.00013033770276
                2p
                   -1 :               0.00024467051321
                   +0 :               0.00005083528321
                   +1 :               0.00053118791508
                3p
                   -1 :               0.00016132430416
                   +0 :              -0.00015866545329
                   +1 :              -0.00015149557200
                3d
                   -2 :               0.00000508341043
                   -1 :               0.00000120024797
                   +0 :              -0.00004674638631
                   +1 :               0.00000029397120
                   +2 :               0.00000222656653
              9 vec=     4.977489    -12.099176      6.601980   |vec|=   14.654405
                1s
                   +0 :              -0.00014363520562
                2s
                   +0 :               0.00127193197423
                3s
                   +0 :              -0.00030186931716
                2p
                   -1 :              -0.00064408934509
                   +0 :              -0.00026297706043
                   +1 :              -0.00001408431963
                3p
                   -1 :               0.00026486094863
                   +0 :               0.00021402556773
                   +1 :              -0.00028124466204
                3d
                   -2 :               0.00001619277041
                   -1 :              -0.00001221643639
                   +0 :              -0.00000387946307
                   +1 :              -0.00002144920620
                   +2 :               0.00000167992746
             10 vec=    12.757651     -7.607297      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00012954914590
                2s
                   +0 :               0.00131014263026
                3s
                   +0 :              -0.00022471744365
                2p
                   -1 :               0.00016699403854
                   +0 :              -0.00002000488766
                   +1 :               0.00086327956152
                3p
                   -1 :              -0.00020487771750
                   +0 :               0.00007898944351
                   +1 :              -0.00041723394338
                3d
                   -2 :              -0.00001579166897
                   -1 :              -0.00001208689015
                   +0 :               0.00000288177347
                   +1 :               0.00001689886617
                   +2 :              -0.00001633219022
             11 vec=     4.977489     14.852098      6.601980   |vec|=   16.998422
                1s
                   +0 :               0.00002425316631
                2s
                   +0 :              -0.00032898453591
                3s
                   +0 :               0.00004666804863
                2p
                   -1 :              -0.00020809705881
                   +0 :              -0.00016087934059
                   +1 :               0.00001328891628
                3p
                   -1 :               0.00005171515525
                   +0 :               0.00001822890754
                   +1 :              -0.00001040108198
                3d
                   -2 :              -0.00000132947656
                   -1 :              -0.00000864862733
                   +0 :              -0.00000365226103
                   +1 :              -0.00000160347929
                   +2 :               0.00000096708498
             12 vec=   -10.582837    -12.099176      6.601980   |vec|=   17.377359
                1s
                   +0 :               0.00014741035764
                2s
                   +0 :              -0.00151940820466
                3s
                   +0 :               0.00022250602717
                2p
                   -1 :               0.00013957025525
                   +0 :              -0.00017925919342
                   +1 :               0.00033880006031
                3p
                   -1 :               0.00014240361633
                   +0 :              -0.00001744082553
                   +1 :              -0.00001031745391
                3d
                   -2 :              -0.00000324524319
                   -1 :               0.00001343786807
                   +0 :              -0.00000475537111
                   +1 :               0.00000350448028
                   +2 :               0.00000752619964
             13 vec=    12.757651     10.360219      6.601980   |vec|=   17.710956
                1s
                   +0 :               0.00003897795922
                2s
                   +0 :              -0.00042826777508
                3s
                   +0 :               0.00006814261201
                2p
                   -1 :              -0.00019914345793
                   +0 :              -0.00027031707013
                   +1 :              -0.00004258206579
                3p
                   -1 :               0.00014469940130
                   +0 :               0.00010650360449
                   +1 :              -0.00000848118337
                3d
                   -2 :               0.00000451373873
                   -1 :               0.00001265735705
                   +0 :              -0.00000413251750
                   +1 :              -0.00000571478322
                   +2 :               0.00000120934107
WF             site_B          number of pairs
WF(  4)=[Cr 3dxz]  to site O ( 30)  npairs=  13
              1 vec=     2.593388      1.738956      6.601980   |vec|=    7.303134
                1s
                   +0 :              -0.00095883865225
                2s
                   +0 :               0.00429904024845
                3s
                   +0 :              -0.00338428883801
                2p
                   -1 :               0.00703139194438
                   +0 :              -0.00250254059913
                   +1 :              -0.00276418844324
                3p
                   -1 :              -0.00131279449294
                   +0 :              -0.00109639204068
                   +1 :               0.00047076654438
                3d
                   -2 :              -0.00015318822011
                   -1 :               0.00040405587921
                   +0 :              -0.00081569080886
                   +1 :              -0.00036301626231
                   +2 :              -0.00029254964524
              2 vec=    -5.186775     -2.752923      6.601980   |vec|=    8.835573
                1s
                   +0 :               0.00271838233913
                2s
                   +0 :              -0.02420340914454
                3s
                   +0 :               0.00274991495064
                2p
                   -1 :               0.00682873251368
                   +0 :              -0.01290758626165
                   +1 :               0.00481051157894
                3p
                   -1 :              -0.00339237140214
                   +0 :              -0.00110921125021
                   +1 :               0.00179612724226
                3d
                   -2 :              -0.00028185741550
                   -1 :               0.00039344706901
                   +0 :              -0.00113611399850
                   +1 :               0.00150619296329
                   +2 :              -0.00040719388580
              3 vec=     2.593388     -7.244802      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00005896224090
                2s
                   +0 :               0.00168284009369
                3s
                   +0 :               0.00029122265734
                2p
                   -1 :              -0.00026802765021
                   +0 :               0.00146842080339
                   +1 :              -0.00192660592523
                3p
                   -1 :              -0.00114405108494
                   +0 :               0.00064068212607
                   +1 :               0.00059372058672
                3d
                   -2 :               0.00000837632259
                   -1 :              -0.00030699132018
                   +0 :               0.00001905248565
                   +1 :              -0.00001870665679
                   +2 :               0.00000085431399
              4 vec=    -5.186775      6.230835      6.601980   |vec|=   10.455242
                1s
                   +0 :              -0.00012061903406
                2s
                   +0 :               0.00091334321794
                3s
                   +0 :              -0.00006318454523
                2p
                   -1 :              -0.00030854096535
                   +0 :               0.00008496159204
                   +1 :               0.00025231984710
                3p
                   -1 :               0.00029831523219
                   +0 :               0.00099427553886
                   +1 :              -0.00014746739934
                3d
                   -2 :               0.00004551499659
                   -1 :               0.00012106926681
                   +0 :               0.00004783844857
                   +1 :              -0.00010263662574
                   +2 :               0.00003023631847
              5 vec=    10.373550     -2.752923      6.601980   |vec|=   12.600606
                1s
                   +0 :              -0.00019975491729
                2s
                   +0 :               0.00273813664763
                3s
                   +0 :               0.00009779531153
                2p
                   -1 :               0.00004783478426
                   +0 :              -0.00048535007734
                   +1 :               0.00101628484406
                3p
                   -1 :               0.00034845776623
                   +0 :               0.00033052834940
                   +1 :               0.00019620572539
                3d
                   -2 :               0.00000949170722
                   -1 :              -0.00001906062708
                   +0 :               0.00005571713715
                   +1 :              -0.00007208167725
                   +2 :               0.00011317241017
              6 vec=     2.593388     10.722714      6.601980   |vec|=   12.856453
                1s
                   +0 :               0.00011265630648
                2s
                   +0 :              -0.00101561672856
                3s
                   +0 :               0.00018748466256
                2p
                   -1 :              -0.00040193919699
                   +0 :              -0.00037818150164
                   +1 :              -0.00022638160321
                3p
                   -1 :               0.00012484153796
                   +0 :               0.00010747396649
                   +1 :               0.00019199050500
                3d
                   -2 :              -0.00004037637182
                   -1 :               0.00001194743640
                   +0 :               0.00000163401035
                   +1 :               0.00001779831277
                   +2 :               0.00000504469462
              7 vec=    10.373550      6.230835      6.601980   |vec|=   13.784774
                1s
                   +0 :               0.00013476560465
                2s
                   +0 :              -0.00122510133399
                3s
                   +0 :               0.00028179572428
                2p
                   -1 :               0.00016286852490
                   +0 :              -0.00092312820105
                   +1 :              -0.00062270878440
                3p
                   -1 :              -0.00002812408563
                   +0 :               0.00017321707239
                   +1 :               0.00034606460733
                3d
                   -2 :               0.00000357412387
                   -1 :              -0.00000446164263
                   +0 :              -0.00001904681540
                   +1 :               0.00000064641196
                   +2 :              -0.00003040721737
              8 vec=    -5.186775    -11.736681      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00010970499064
                2s
                   +0 :              -0.00135165775867
                3s
                   +0 :               0.00016940250438
                2p
                   -1 :               0.00052804487011
                   +0 :               0.00012448868861
                   +1 :              -0.00012038206573
                3p
                   -1 :              -0.00005615660598
                   +0 :              -0.00017780159387
                   +1 :              -0.00002530699636
                3d
                   -2 :              -0.00000908035587
                   -1 :               0.00001983769369
                   +0 :               0.00004272261897
                   +1 :               0.00003279858733
                   +2 :              -0.00001279524973
              9 vec=   -12.966938      1.738956      6.601980   |vec|=   14.654405
                1s
                   +0 :               0.00012009201805
                2s
                   +0 :              -0.00095249762234
                3s
                   +0 :               0.00024562496028
                2p
                   -1 :              -0.00051320630488
                   +0 :               0.00038021165564
                   +1 :               0.00053148606419
                3p
                   -1 :              -0.00002538593122
                   +0 :              -0.00027619670846
                   +1 :              -0.00030921216617
                3d
                   -2 :               0.00001769801447
                   -1 :              -0.00004900523278
                   +0 :               0.00001507960880
                   +1 :               0.00000647723030
                   +2 :              -0.00000206601897
             10 vec=   -12.966938     -7.244802      6.601980   |vec|=   16.254684
                1s
                   +0 :               0.00014062451672
                2s
                   +0 :              -0.00135861682428
                3s
                   +0 :               0.00026619946589
                2p
                   -1 :               0.00068328735068
                   +0 :              -0.00003739082475
                   +1 :               0.00033706877051
                3p
                   -1 :              -0.00043675977494
                   +0 :              -0.00003921149624
                   +1 :              -0.00004993862352
                3d
                   -2 :               0.00002017041689
                   -1 :               0.00000213503911
                   +0 :              -0.00000291464905
                   +1 :               0.00001294315242
                   +2 :              -0.00002403418109
             11 vec=    10.373550    -11.736681      6.601980   |vec|=   16.998422
                1s
                   +0 :              -0.00016502093410
                2s
                   +0 :               0.00178542407939
                3s
                   +0 :              -0.00028007051947
                2p
                   -1 :              -0.00089141134726
                   +0 :               0.00028163768893
                   +1 :               0.00053130580079
                3p
                   -1 :               0.00043612096362
                   +0 :              -0.00008778903397
                   +1 :              -0.00015185244654
                3d
                   -2 :              -0.00000969714584
                   -1 :               0.00000037991392
                   +0 :               0.00001676688160
                   +1 :              -0.00001028755809
                   +2 :               0.00002314319941
             12 vec=    -5.186775     15.214593      6.601980   |vec|=   17.377359
                1s
                   +0 :              -0.00007074249781
                2s
                   +0 :               0.00068130138182
                3s
                   +0 :              -0.00013276604080
                2p
                   -1 :               0.00017282143759
                   +0 :               0.00037461535194
                   +1 :               0.00028307709754
                3p
                   -1 :               0.00000672025087
                   +0 :              -0.00013079384808
                   +1 :              -0.00020664566926
                3d
                   -2 :              -0.00001094978571
                   -1 :               0.00000298088655
                   +0 :               0.00000430409602
                   +1 :              -0.00000682760017
                   +2 :              -0.00000315930706
             13 vec=     2.593388    -16.228560      6.601980   |vec|=   17.710956
                1s
                   +0 :              -0.00001736492482
                2s
                   +0 :               0.00019759232458
                3s
                   +0 :              -0.00003522706617
                2p
                   -1 :              -0.00013128934754
                   +0 :              -0.00005257592647
                   +1 :              -0.00016860231941
                3p
                   -1 :               0.00007209871937
                   +0 :               0.00007718488528
                   +1 :               0.00002020104868
                3d
                   -2 :               0.00000400652912
                   -1 :              -0.00000111963908
                   +0 :               0.00000649578385
                   +1 :              -0.00000710673558
                   +2 :               0.00000658917367
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al(  1)  npairs=  13
              1 vec=     0.000000      0.000000      5.021445   |vec|=    5.021445
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00427377257908
                   +0 :               0.00000000000000
                   +1 :               0.00121409804793
                3s
                   +0 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :               0.03570949538549
                   +0 :               0.00000000000000
                   +1 :              -0.00666802304349
                4p
                   -1 :              -0.00496221224109
                   +0 :               0.00000000000000
                   +1 :               0.00254544091119
                3d
                   -2 :               0.00152587414140
                   -1 :              -0.00045885081762
                   +0 :              -0.00000000000000
                   +1 :              -0.00097686534313
                   +2 :               0.00775170413554
              2 vec=    -7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00076723674033
                2p
                   -1 :              -0.00015654602832
                   +0 :               0.00061907531717
                   +1 :               0.00008843153978
                3s
                   +0 :              -0.00136887141953
                4s
                   +0 :              -0.00027915676349
                3p
                   -1 :              -0.00035334890149
                   +0 :              -0.00498854249314
                   +1 :              -0.00138081884759
                4p
                   -1 :               0.00034495343367
                   +0 :               0.00067695657218
                   +1 :               0.00082371158478
                3d
                   -2 :               0.00109092676903
                   -1 :               0.00121772196528
                   +0 :               0.00079894807818
                   +1 :              -0.00041561354587
                   +2 :              -0.00021673111218
              3 vec=    -7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00013181976656
                2p
                   -1 :               0.00031103322474
                   +0 :              -0.00003575130247
                   +1 :              -0.00011241323637
                3s
                   +0 :               0.00030254565420
                4s
                   +0 :              -0.00036706371960
                3p
                   -1 :              -0.00091628071494
                   +0 :               0.00022577242050
                   +1 :               0.00059135557101
                4p
                   -1 :               0.00027174711058
                   +0 :              -0.00017155894405
                   +1 :              -0.00018969373993
                3d
                   -2 :              -0.00050304523500
                   -1 :               0.00019679427867
                   +0 :               0.00018721992865
                   +1 :               0.00036036308824
                   +2 :              -0.00024899695604
              4 vec=     0.000000     -8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00105559513001
                2p
                   -1 :               0.00009733911714
                   +0 :               0.00015168937260
                   +1 :               0.00017867619288
                3s
                   +0 :              -0.00449012537893
                4s
                   +0 :               0.00141634608459
                3p
                   -1 :              -0.00013473303344
                   +0 :              -0.00155260268177
                   +1 :              -0.00116390768178
                4p
                   -1 :              -0.00000815418456
                   +0 :               0.00052597118191
                   +1 :               0.00016819438497
                3d
                   -2 :               0.00008518039949
                   -1 :              -0.00031766723955
                   +0 :               0.00026838842562
                   +1 :              -0.00012317016209
                   +2 :               0.00044920984611
              5 vec=     0.000000      8.983758      5.021445   |vec|=   10.291881
                2s
                   +0 :               0.00028309855564
                2p
                   -1 :               0.00001586646404
                   +0 :              -0.00046486021135
                   +1 :              -0.00012262765503
                3s
                   +0 :              -0.00376640402155
                4s
                   +0 :               0.00102441110981
                3p
                   -1 :              -0.00169508262668
                   +0 :               0.00576891302674
                   +1 :               0.00054311444254
                4p
                   -1 :               0.00041147327280
                   +0 :              -0.00081168412612
                   +1 :              -0.00031653057781
                3d
                   -2 :               0.00027272823932
                   -1 :               0.00018827449169
                   +0 :              -0.00153944958693
                   +1 :              -0.00079852434002
                   +2 :               0.00081113133421
              6 vec=     7.780163     -4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00105033529597
                2p
                   -1 :              -0.00025312240655
                   +0 :              -0.00015421510582
                   +1 :              -0.00016641165594
                3s
                   +0 :               0.00513527544109
                4s
                   +0 :              -0.00074525434632
                3p
                   -1 :               0.00064195934035
                   +0 :              -0.00078037053360
                   +1 :               0.00074312328861
                4p
                   -1 :              -0.00060926532603
                   +0 :               0.00013472755394
                   +1 :               0.00019598263294
                3d
                   -2 :              -0.00020832748599
                   -1 :               0.00037138775337
                   +0 :               0.00074050150875
                   +1 :               0.00028445872105
                   +2 :              -0.00041138060105
              7 vec=     7.780163      4.491879      5.021445   |vec|=   10.291881
                2s
                   +0 :              -0.00092377536345
                2p
                   -1 :              -0.00004790466957
                   +0 :              -0.00011593807013
                   +1 :              -0.00015193304757
                3s
                   +0 :               0.00418757972473
                4s
                   +0 :              -0.00104928236500
                3p
                   -1 :               0.00099459569306
                   +0 :               0.00132683026127
                   +1 :               0.00039056409107
                4p
                   -1 :              -0.00017814374487
                   +0 :              -0.00035441223787
                   +1 :              -0.00025315130962
                3d
                   -2 :               0.00039573241001
                   -1 :               0.00035831559792
                   +0 :              -0.00045560835427
                   +1 :              -0.00032694028097
                   +2 :              -0.00040931189759
              8 vec=   -15.560325     -0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00000319071900
                2p
                   -1 :              -0.00005453094343
                   +0 :               0.00002609553311
                   +1 :              -0.00002298099687
                3s
                   +0 :               0.00014535456939
                4s
                   +0 :               0.00005747000009
                3p
                   -1 :               0.00041892470005
                   +0 :               0.00000137116975
                   +1 :               0.00012803895068
                4p
                   -1 :              -0.00004773645209
                   +0 :               0.00006065073527
                   +1 :              -0.00006408312446
                3d
                   -2 :              -0.00007432581677
                   -1 :              -0.00000651216526
                   +0 :              -0.00001767586567
                   +1 :               0.00001602371168
                   +2 :               0.00000190356728
              9 vec=    -7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00011268281741
                2p
                   -1 :              -0.00003003868220
                   +0 :              -0.00001182109399
                   +1 :              -0.00003095535062
                3s
                   +0 :              -0.00013292368792
                4s
                   +0 :               0.00012508139895
                3p
                   -1 :               0.00011634042618
                   +0 :              -0.00007887443029
                   +1 :               0.00012059222755
                4p
                   -1 :              -0.00006088644579
                   +0 :               0.00003470660997
                   +1 :              -0.00002600772161
                3d
                   -2 :               0.00005963651954
                   -1 :              -0.00003031743850
                   +0 :               0.00012720591664
                   +1 :               0.00003253449731
                   +2 :               0.00005942399402
             10 vec=    -7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00002421778516
                2p
                   -1 :              -0.00001399832709
                   +0 :              -0.00001688359775
                   +1 :               0.00000409187171
                3s
                   +0 :              -0.00065040352174
                4s
                   +0 :               0.00006187518249
                3p
                   -1 :               0.00004382145996
                   +0 :               0.00000047315773
                   +1 :               0.00017299357192
                4p
                   -1 :              -0.00000701391325
                   +0 :              -0.00004471270769
                   +1 :               0.00000579249507
                3d
                   -2 :               0.00002505904640
                   -1 :              -0.00001240669349
                   +0 :              -0.00005667089125
                   +1 :               0.00004637064041
                   +2 :              -0.00002673839464
             11 vec=     7.780163    -13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00005255492211
                2p
                   -1 :               0.00000619340458
                   +0 :              -0.00000680028257
                   +1 :              -0.00003743501862
                3s
                   +0 :               0.00050506758279
                4s
                   +0 :              -0.00004073990118
                3p
                   -1 :              -0.00017030768327
                   +0 :               0.00005416829840
                   +1 :               0.00017966331053
                4p
                   -1 :               0.00002105356577
                   +0 :               0.00001216979421
                   +1 :              -0.00004684074557
                3d
                   -2 :              -0.00005860622636
                   -1 :              -0.00010714923805
                   +0 :               0.00010489300756
                   +1 :              -0.00001038327099
                   +2 :               0.00004493726351
             12 vec=     7.780163     13.475637      5.021445   |vec|=   16.350493
                2s
                   +0 :               0.00004936420311
                2p
                   -1 :              -0.00001165121941
                   +0 :              -0.00001929525054
                   +1 :               0.00002238082025
                3s
                   +0 :              -0.00065042215219
                4s
                   +0 :              -0.00001673009892
                3p
                   -1 :               0.00007960050131
                   +0 :              -0.00005553946815
                   +1 :              -0.00035643908209
                4p
                   -1 :              -0.00002827378130
                   +0 :              -0.00007282052948
                   +1 :               0.00000411196797
                3d
                   -2 :              -0.00002919774741
                   -1 :              -0.00003396158382
                   +0 :              -0.00008721714188
                   +1 :              -0.00008433404125
                   +2 :               0.00000980685076
             13 vec=    15.560325      0.000000      5.021445   |vec|=   16.350493
                2s
                   +0 :              -0.00013690060257
                2p
                   -1 :               0.00000833328022
                   +0 :               0.00002870469174
                   +1 :              -0.00002732309447
                3s
                   +0 :               0.00078332720966
                4s
                   +0 :              -0.00018695658144
                3p
                   -1 :               0.00012546183849
                   +0 :               0.00007840127257
                   +1 :               0.00020959616675
                4p
                   -1 :              -0.00000641038403
                   +0 :               0.00001000609772
                   +1 :              -0.00005676259502
                3d
                   -2 :               0.00011696660040
                   -1 :              -0.00000937961457
                   +0 :              -0.00007053502540
                   +1 :               0.00002394140868
                   +2 :              -0.00001360217044
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al(  2)  npairs=  14
              1 vec=     0.000000      0.000000    -12.273771   |vec|=   12.273771
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :              -0.00005688639004
                   +0 :              -0.00000000000000
                   +1 :              -0.00015185284912
                3s
                   +0 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00114552727305
                   +0 :              -0.00000000000000
                   +1 :               0.00010628318719
                4p
                   -1 :              -0.00001553351456
                   +0 :               0.00000000000000
                   +1 :              -0.00021492485504
                3d
                   -2 :               0.00026793554100
                   -1 :               0.00045367762883
                   +0 :               0.00000000000000
                   +1 :              -0.00007423150782
                   +2 :               0.00040762638983
              2 vec=     0.000000      0.000000     12.273771   |vec|=   12.273771
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00017699460887
                   +0 :               0.00000000000000
                   +1 :               0.00002448466444
                3s
                   +0 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00024363168036
                   +0 :              -0.00000000000000
                   +1 :               0.00013696122394
                4p
                   -1 :               0.00011256287829
                   +0 :               0.00000000000000
                   +1 :              -0.00020139361492
                3d
                   -2 :              -0.00006572952497
                   -1 :               0.00032355783884
                   +0 :              -0.00000000000000
                   +1 :              -0.00026863761026
                   +2 :              -0.00008310045664
              3 vec=    -7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00032700013362
                2p
                   -1 :              -0.00001335799756
                   +0 :              -0.00006432303929
                   +1 :              -0.00011765331262
                3s
                   +0 :              -0.00159232554659
                4s
                   +0 :               0.00029624297590
                3p
                   -1 :              -0.00006678413522
                   +0 :               0.00043554561817
                   +1 :               0.00067954268660
                4p
                   -1 :               0.00000308666230
                   +0 :              -0.00005773444884
                   +1 :              -0.00013597399050
                3d
                   -2 :              -0.00009999865918
                   -1 :              -0.00001799622579
                   +0 :               0.00000023970964
                   +1 :              -0.00005247085572
                   +2 :              -0.00009209116358
              4 vec=    -7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00012516989524
                2p
                   -1 :              -0.00005519321921
                   +0 :              -0.00009839993423
                   +1 :               0.00006168138771
                3s
                   +0 :               0.00133697551535
                4s
                   +0 :              -0.00037494647663
                3p
                   -1 :               0.00029107671564
                   +0 :               0.00128657320436
                   +1 :              -0.00061504985435
                4p
                   -1 :              -0.00013215269012
                   +0 :              -0.00038012812766
                   +1 :               0.00012752143291
                3d
                   -2 :               0.00016579687941
                   -1 :               0.00000979988391
                   +0 :               0.00031454712030
                   +1 :              -0.00018503463928
                   +2 :              -0.00002344860619
              5 vec=    -7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00031089923601
                2p
                   -1 :              -0.00004082426107
                   +0 :               0.00008726520690
                   +1 :               0.00007528427415
                3s
                   +0 :               0.00141042557739
                4s
                   +0 :              -0.00035295079110
                3p
                   -1 :               0.00082103430358
                   +0 :              -0.00033051451835
                   +1 :              -0.00017202428906
                4p
                   -1 :              -0.00008907339380
                   +0 :               0.00009047288526
                   +1 :               0.00012148233955
                3d
                   -2 :               0.00006789517385
                   -1 :              -0.00006986006654
                   +0 :              -0.00015774205537
                   +1 :              -0.00003082242899
                   +2 :              -0.00011444702707
              6 vec=    -7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00015609190776
                2p
                   -1 :               0.00003112781649
                   +0 :              -0.00005284909640
                   +1 :               0.00016025631733
                3s
                   +0 :               0.00029908510795
                4s
                   +0 :              -0.00004270720214
                3p
                   -1 :               0.00002161892494
                   +0 :               0.00018846444927
                   +1 :              -0.00062564448465
                4p
                   -1 :               0.00018360449801
                   +0 :              -0.00002971327468
                   +1 :               0.00022925914990
                3d
                   -2 :              -0.00031679833453
                   -1 :               0.00009445409929
                   +0 :               0.00001898821426
                   +1 :              -0.00012129056425
                   +2 :               0.00001159468212
              7 vec=     0.000000     -8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00064753278418
                2p
                   -1 :              -0.00020528066026
                   +0 :              -0.00012416795328
                   +1 :              -0.00001151142275
                3s
                   +0 :              -0.00374303041011
                4s
                   +0 :               0.00088874959353
                3p
                   -1 :               0.00128277043602
                   +0 :               0.00044708809993
                   +1 :               0.00070368506699
                4p
                   -1 :              -0.00027787439641
                   +0 :              -0.00016773797293
                   +1 :              -0.00001308522937
                3d
                   -2 :              -0.00017555393665
                   -1 :               0.00001734448929
                   +0 :               0.00042367630423
                   +1 :              -0.00014226051077
                   +2 :              -0.00034587278997
              8 vec=     0.000000     -8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00004663801745
                2p
                   -1 :              -0.00011391595688
                   +0 :               0.00008047440767
                   +1 :               0.00011627149637
                3s
                   +0 :               0.00127861472870
                4s
                   +0 :              -0.00000403816141
                3p
                   -1 :              -0.00038660739584
                   +0 :              -0.00019963199734
                   +1 :              -0.00040056303221
                4p
                   -1 :              -0.00011027373558
                   +0 :              -0.00000559994214
                   +1 :               0.00019599216330
                3d
                   -2 :              -0.00004983749492
                   -1 :               0.00018741000095
                   +0 :              -0.00017556175092
                   +1 :              -0.00001121533436
                   +2 :              -0.00006388522278
              9 vec=     0.000000      8.983758    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00063361147296
                2p
                   -1 :              -0.00019253855239
                   +0 :               0.00016102873439
                   +1 :              -0.00006021444228
                3s
                   +0 :               0.00276883665429
                4s
                   +0 :              -0.00060768888724
                3p
                   -1 :               0.00088124891670
                   +0 :              -0.00078648912872
                   +1 :               0.00029695670172
                4p
                   -1 :              -0.00013412858114
                   +0 :               0.00017629826849
                   +1 :              -0.00004691294802
                3d
                   -2 :               0.00012388415282
                   -1 :              -0.00017342636035
                   +0 :               0.00006217094194
                   +1 :              -0.00009487561582
                   +2 :              -0.00018303591836
             10 vec=     0.000000      8.983758     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00046453505491
                2p
                   -1 :               0.00007030579922
                   +0 :               0.00018910266437
                   +1 :               0.00001973449558
                3s
                   +0 :              -0.00287065034318
                4s
                   +0 :               0.00079288883140
                3p
                   -1 :              -0.00059539388335
                   +0 :              -0.00228695732395
                   +1 :              -0.00018834347899
                4p
                   -1 :               0.00006483020080
                   +0 :               0.00066232359478
                   +1 :               0.00013971869792
                3d
                   -2 :               0.00011804803159
                   -1 :              -0.00017651605175
                   +0 :              -0.00051351919503
                   +1 :               0.00004398215842
                   +2 :               0.00006281948488
             11 vec=     7.780163     -4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00030661133935
                2p
                   -1 :              -0.00005320475409
                   +0 :              -0.00009670569510
                   +1 :               0.00006624103489
                3s
                   +0 :              -0.00117651110770
                4s
                   +0 :               0.00031144591135
                3p
                   -1 :               0.00007590320871
                   +0 :               0.00035094351055
                   +1 :              -0.00033277101242
                4p
                   -1 :               0.00001160816586
                   +0 :              -0.00011856381964
                   +1 :               0.00002738841735
                3d
                   -2 :               0.00009070321479
                   -1 :              -0.00013243489256
                   +0 :              -0.00006241065158
                   +1 :               0.00006093320927
                   +2 :               0.00005632466169
             12 vec=     7.780163     -4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00033936515967
                2p
                   -1 :              -0.00002877078419
                   +0 :              -0.00009070273014
                   +1 :              -0.00006797739646
                3s
                   +0 :               0.00153367482784
                4s
                   +0 :              -0.00041794235477
                3p
                   -1 :               0.00021737997717
                   +0 :               0.00100038411960
                   +1 :               0.00036600939177
                4p
                   -1 :              -0.00002309810330
                   +0 :              -0.00028219546712
                   +1 :              -0.00003697212223
                3d
                   -2 :               0.00006721209710
                   -1 :               0.00011497628078
                   +0 :               0.00019897207473
                   +1 :               0.00009082809298
                   +2 :              -0.00002166627586
             13 vec=     7.780163      4.491879    -12.273771   |vec|=   15.210305
                2s
                   +0 :              -0.00033663354817
                2p
                   -1 :              -0.00004788518221
                   +0 :               0.00003690274638
                   +1 :              -0.00011053699380
                3s
                   +0 :               0.00233260483272
                4s
                   +0 :              -0.00053579880243
                3p
                   -1 :               0.00029351582113
                   +0 :              -0.00011657358158
                   +1 :               0.00066570560950
                4p
                   -1 :              -0.00006693496190
                   +0 :               0.00007726508767
                   +1 :              -0.00010930790943
                3d
                   -2 :              -0.00025424997116
                   -1 :               0.00007025042114
                   +0 :              -0.00026593424887
                   +1 :              -0.00001102010920
                   +2 :              -0.00001932679429
             14 vec=     7.780163      4.491879     12.273771   |vec|=   15.210305
                2s
                   +0 :               0.00010945389031
                2p
                   -1 :              -0.00000330209786
                   +0 :              -0.00002762531127
                   +1 :               0.00001265231445
                3s
                   +0 :              -0.00157769983665
                4s
                   +0 :               0.00004674536355
                3p
                   -1 :              -0.00037742049118
                   +0 :               0.00001116754807
                   +1 :              -0.00086663812272
                4p
                   -1 :               0.00006547543671
                   +0 :               0.00003531321682
                   +1 :              -0.00004188035931
                3d
                   -2 :              -0.00024868542984
                   -1 :               0.00004560410471
                   +0 :               0.00015657353665
                   +1 :               0.00001424922297
                   +2 :              -0.00025734013925
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Cr(  3)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                3s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00998368820706
                   +0 :               0.00000000000000
                   +1 :              -0.00571830212668
                4s
                   +0 :               0.00000000000000
                5s
                   +0 :               0.00000000000000
                3d
                   -2 :              -0.00147265939103
                   -1 :              -0.02357810390737
                   +0 :               0.00000000000000
                   +1 :              -0.00461166974306
                   +2 :               1.00101664692963
                4d
                   -2 :               0.00142284048441
                   -1 :              -0.00790802642212
                   +0 :              -0.00000000000000
                   +1 :              -0.00091224777198
                   +2 :               0.02446000716452
                4p
                   -1 :              -0.02436648859448
                   +0 :               0.00000000000000
                   +1 :               0.00268613562837
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00344333185458
                3p
                   -1 :              -0.00142067547216
                   +0 :               0.00138595975418
                   +1 :              -0.00211977869162
                4s
                   +0 :              -0.00638261227098
                5s
                   +0 :              -0.00013786914208
                3d
                   -2 :               0.00159307108103
                   -1 :               0.00047604997057
                   +0 :              -0.00155421967822
                   +1 :              -0.00151745826800
                   +2 :               0.00135025024564
                4d
                   -2 :              -0.00138552453841
                   -1 :               0.00086149337074
                   +0 :              -0.00011287251151
                   +1 :               0.00222884158503
                   +2 :              -0.00057058223833
                4p
                   -1 :               0.00197829235695
                   +0 :              -0.00315468910655
                   +1 :               0.00305202318152
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00045819388764
                3p
                   -1 :               0.00170829493409
                   +0 :              -0.00077386570103
                   +1 :               0.00029932449942
                4s
                   +0 :               0.00038522420582
                5s
                   +0 :              -0.00039736400239
                3d
                   -2 :              -0.00068679373199
                   -1 :               0.00116675982208
                   +0 :               0.00017079938541
                   +1 :               0.00035603441814
                   +2 :               0.00116494206867
                4d
                   -2 :              -0.00003042179251
                   -1 :               0.00012673880755
                   +0 :               0.00007415263175
                   +1 :               0.00067491901094
                   +2 :               0.00073917332715
                4p
                   -1 :              -0.00103579650057
                   +0 :               0.00033331042976
                   +1 :              -0.00014277715455
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00020070629852
                3p
                   -1 :              -0.00000097503182
                   +0 :               0.00028098030585
                   +1 :               0.00102368184395
                4s
                   +0 :               0.00277719027687
                5s
                   +0 :              -0.00021332293672
                3d
                   -2 :              -0.00045482369430
                   -1 :              -0.00087170690143
                   +0 :              -0.00072136631610
                   +1 :               0.00081758938554
                   +2 :               0.00081435996220
                4d
                   -2 :               0.00074458932394
                   -1 :              -0.00152308506910
                   +0 :               0.00005138690148
                   +1 :              -0.00021097185233
                   +2 :              -0.00029737740673
                4p
                   -1 :              -0.00096203292309
                   +0 :               0.00213943882980
                   +1 :              -0.00024713348549
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                3s
                   +0 :              -0.00361959308326
                3p
                   -1 :              -0.00261903245867
                   +0 :              -0.00193810758179
                   +1 :               0.00070255999179
                4s
                   +0 :               0.00776597053788
                5s
                   +0 :              -0.00007011521740
                3d
                   -2 :               0.00153181620922
                   -1 :              -0.00067721270856
                   +0 :               0.00203059363968
                   +1 :               0.00129050410205
                   +2 :               0.00284769595714
                4d
                   -2 :              -0.00034455788421
                   -1 :               0.00300119292927
                   +0 :               0.00002029928514
                   +1 :               0.00010053628435
                   +2 :              -0.00170852255733
                4p
                   -1 :               0.00393753421495
                   +0 :               0.00429683534020
                   +1 :              -0.00017700993974
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00017626122868
                3p
                   -1 :               0.00042436303250
                   +0 :               0.00055214782760
                   +1 :               0.00032919824321
                4s
                   +0 :              -0.00138335826690
                5s
                   +0 :               0.00020798435949
                3d
                   -2 :               0.00026561761817
                   -1 :               0.00233118537633
                   +0 :              -0.00047637396145
                   +1 :               0.00088527769439
                   +2 :               0.00204592482630
                4d
                   -2 :               0.00012044401294
                   -1 :               0.00008817669261
                   +0 :               0.00009257322637
                   +1 :              -0.00068834523946
                   +2 :              -0.00023804883081
                4p
                   -1 :               0.00016148857328
                   +0 :              -0.00114214623365
                   +1 :              -0.00025924660029
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                3s
                   +0 :               0.00025748758912
                3p
                   -1 :               0.00022634808935
                   +0 :               0.00049288539518
                   +1 :              -0.00081876804071
                4s
                   +0 :              -0.00316241448269
                5s
                   +0 :               0.00061068693911
                3d
                   -2 :              -0.00087442172346
                   -1 :              -0.00025219186668
                   +0 :               0.00055056693069
                   +1 :              -0.00117855206548
                   +2 :               0.00078875906987
                4d
                   -2 :              -0.00054059550214
                   -1 :               0.00006903086180
                   +0 :              -0.00012553953323
                   +1 :              -0.00119681580965
                   +2 :              -0.00045028135485
                4p
                   -1 :              -0.00090853947819
                   +0 :              -0.00247274925955
                   +1 :              -0.00013107418805
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00007204362766
                3p
                   -1 :              -0.00015176971251
                   +0 :               0.00011921601929
                   +1 :              -0.00010560211916
                4s
                   +0 :               0.00011464282115
                5s
                   +0 :               0.00003461621158
                3d
                   -2 :               0.00038076774751
                   -1 :              -0.00015734380255
                   +0 :               0.00003048461651
                   +1 :              -0.00039523441271
                   +2 :              -0.00019614628522
                4d
                   -2 :              -0.00003602897295
                   -1 :               0.00002240102559
                   +0 :               0.00009081317077
                   +1 :              -0.00002306726180
                   +2 :              -0.00001947887956
                4p
                   -1 :               0.00006883783596
                   +0 :               0.00007932094809
                   +1 :               0.00001336163864
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00000717103152
                3p
                   -1 :               0.00004449035687
                   +0 :               0.00002007155363
                   +1 :              -0.00006585142309
                4s
                   +0 :               0.00066055238000
                5s
                   +0 :              -0.00004834367323
                3d
                   -2 :              -0.00005632227794
                   -1 :              -0.00021222420351
                   +0 :              -0.00010710837995
                   +1 :              -0.00039398857293
                   +2 :               0.00065675342062
                4d
                   -2 :               0.00011346394679
                   -1 :              -0.00012367427366
                   +0 :              -0.00000086329619
                   +1 :              -0.00015932599510
                   +2 :               0.00004582303496
                4p
                   -1 :               0.00007344290840
                   +0 :               0.00058843921918
                   +1 :              -0.00050657337593
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00005806173045
                3p
                   -1 :              -0.00009809225738
                   +0 :              -0.00009499727007
                   +1 :              -0.00002874568574
                4s
                   +0 :              -0.00022116235166
                5s
                   +0 :              -0.00001730696264
                3d
                   -2 :              -0.00061119967001
                   -1 :              -0.00051215460391
                   +0 :               0.00002132458688
                   +1 :               0.00006600173248
                   +2 :               0.00024477147478
                4d
                   -2 :              -0.00011084539099
                   -1 :              -0.00014318155893
                   +0 :              -0.00002685546891
                   +1 :              -0.00004432843021
                   +2 :               0.00000256251827
                4p
                   -1 :              -0.00020146350916
                   +0 :              -0.00043015675658
                   +1 :              -0.00036838979880
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00001953277237
                3p
                   -1 :               0.00003910922498
                   +0 :               0.00005419612679
                   +1 :               0.00004528753371
                4s
                   +0 :               0.00035229420623
                5s
                   +0 :              -0.00002511197327
                3d
                   -2 :              -0.00022816592950
                   -1 :              -0.00021251952554
                   +0 :              -0.00002507368561
                   +1 :               0.00033766424302
                   +2 :               0.00026611030471
                4d
                   -2 :              -0.00005180231782
                   -1 :              -0.00016658768175
                   +0 :              -0.00001123490976
                   +1 :               0.00008611641597
                   +2 :               0.00009697860206
                4p
                   -1 :              -0.00002357042734
                   +0 :               0.00037659908205
                   +1 :               0.00030858784686
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                3s
                   +0 :              -0.00009157640003
                3p
                   -1 :              -0.00018700451632
                   +0 :              -0.00017341214608
                   +1 :               0.00013514871618
                4s
                   +0 :              -0.00046693702738
                5s
                   +0 :              -0.00000950423830
                3d
                   -2 :               0.00047662685895
                   -1 :              -0.00081964051830
                   +0 :              -0.00000541093090
                   +1 :              -0.00007656866262
                   +2 :               0.00056233404326
                4d
                   -2 :               0.00005693949216
                   -1 :              -0.00016664916670
                   +0 :              -0.00007957826101
                   +1 :              -0.00013214444450
                   +2 :               0.00005240997861
                4p
                   -1 :              -0.00023303969187
                   +0 :              -0.00045592003015
                   +1 :               0.00008094683921
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                3s
                   +0 :               0.00006523276197
                3p
                   -1 :               0.00000533356092
                   +0 :               0.00007492571644
                   +1 :               0.00007618161166
                4s
                   +0 :              -0.00043939002834
                5s
                   +0 :               0.00006565063587
                3d
                   -2 :               0.00002302585703
                   -1 :               0.00003617388627
                   +0 :               0.00008578379308
                   +1 :               0.00009575392589
                   +2 :              -0.00002977546981
                4d
                   -2 :               0.00003877398433
                   -1 :              -0.00003383710373
                   +0 :               0.00002771876510
                   +1 :              -0.00008493340805
                   +2 :              -0.00017006480821
                4p
                   -1 :               0.00005566018781
                   +0 :              -0.00015828246259
                   +1 :              -0.00019940564609
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00010525142225
                3p
                   -1 :              -0.00005527768987
                   +0 :               0.00003900335600
                   +1 :              -0.00005267832544
                4s
                   +0 :              -0.00004894677826
                5s
                   +0 :               0.00000010952466
                3d
                   -2 :               0.00018868620175
                   -1 :              -0.00015087194215
                   +0 :               0.00001325275132
                   +1 :              -0.00016510560872
                   +2 :               0.00001350334786
                4d
                   -2 :              -0.00000306788276
                   -1 :              -0.00000134451518
                   +0 :               0.00001353896415
                   +1 :               0.00001011114411
                   +2 :              -0.00000442515524
                4p
                   -1 :               0.00003147696345
                   +0 :               0.00004289824356
                   +1 :               0.00000406264435
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00009527061176
                3p
                   -1 :               0.00000246035807
                   +0 :              -0.00002268579939
                   +1 :               0.00002188277177
                4s
                   +0 :              -0.00035551803293
                5s
                   +0 :               0.00003830044942
                3d
                   -2 :              -0.00008351362503
                   -1 :               0.00006585026773
                   +0 :               0.00001490868656
                   +1 :               0.00019878796745
                   +2 :              -0.00012865905333
                4d
                   -2 :               0.00001099141969
                   -1 :               0.00002560590207
                   +0 :              -0.00000237968944
                   +1 :               0.00000152024084
                   +2 :               0.00001908700033
                4p
                   -1 :               0.00002276667676
                   +0 :              -0.00005117013831
                   +1 :               0.00006523699081
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00010666054861
                3p
                   -1 :              -0.00002374029510
                   +0 :               0.00005141395774
                   +1 :               0.00002846258803
                4s
                   +0 :               0.00060672454073
                5s
                   +0 :              -0.00002749809447
                3d
                   -2 :              -0.00012968930878
                   -1 :              -0.00020693951704
                   +0 :              -0.00001901416228
                   +1 :               0.00009024321563
                   +2 :               0.00015304984103
                4d
                   -2 :               0.00005096212987
                   -1 :               0.00000427738462
                   +0 :               0.00000936850085
                   +1 :              -0.00000776222069
                   +2 :               0.00000274166893
                4p
                   -1 :              -0.00008699978316
                   +0 :               0.00010502930007
                   +1 :              -0.00002087144714
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00006274870278
                3p
                   -1 :              -0.00002976055933
                   +0 :              -0.00002708229083
                   +1 :               0.00001778489039
                4s
                   +0 :               0.00006876114110
                5s
                   +0 :              -0.00001303375642
                3d
                   -2 :              -0.00007140839940
                   -1 :              -0.00018089199345
                   +0 :               0.00003625167051
                   +1 :              -0.00000148243121
                   +2 :               0.00015369132482
                4d
                   -2 :               0.00000457950771
                   -1 :              -0.00002659245694
                   +0 :              -0.00000130582311
                   +1 :               0.00000905633976
                   +2 :               0.00002893102779
                4p
                   -1 :              -0.00004046027770
                   +0 :              -0.00008600535431
                   +1 :              -0.00005289124391
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :              -0.00004250271947
                3p
                   -1 :               0.00001850381034
                   +0 :              -0.00001192106518
                   +1 :              -0.00003954520080
                4s
                   +0 :              -0.00001981436284
                5s
                   +0 :               0.00001292423176
                3d
                   -2 :              -0.00006276744818
                   -1 :              -0.00002418013943
                   +0 :              -0.00004950442183
                   +1 :              -0.00005729589291
                   +2 :              -0.00014165119564
                4d
                   -2 :              -0.00002813148940
                   -1 :              -0.00001488197342
                   +0 :              -0.00001223314103
                   +1 :               0.00003144910089
                   +2 :               0.00001887577070
                4p
                   -1 :              -0.00005381517120
                   +0 :               0.00004310711075
                   +1 :               0.00003788517854
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                3s
                   +0 :               0.00001138993685
                3p
                   -1 :              -0.00001633825655
                   +0 :              -0.00002872815835
                   +1 :               0.00000248224866
                4s
                   +0 :              -0.00025120650780
                5s
                   +0 :              -0.00001080235495
                3d
                   -2 :               0.00013736559209
                   -1 :               0.00002345788787
                   +0 :               0.00000410547571
                   +1 :              -0.00009172729196
                   +2 :               0.00005218470902
                4d
                   -2 :               0.00001682130256
                   -1 :               0.00002298049083
                   +0 :              -0.00000698881141
                   +1 :              -0.00002159202786
                   +2 :              -0.00002370131580
                4p
                   -1 :               0.00004245554155
                   +0 :              -0.00005385916177
                   +1 :              -0.00007287777094
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al(  4)  npairs=  14
              1 vec=     0.000000      0.000000     -7.252326   |vec|=    7.252326
                2s
                   +0 :               0.00000000000000
                2p
                   -1 :               0.00096708411050
                   +0 :               0.00000000000000
                   +1 :              -0.00065243730277
                3s
                   +0 :              -0.00000000000000
                4s
                   +0 :               0.00000000000000
                3p
                   -1 :              -0.00804665978876
                   +0 :              -0.00000000000000
                   +1 :               0.00188490537053
                4p
                   -1 :               0.00150669598278
                   +0 :              -0.00000000000000
                   +1 :              -0.00079396622142
                3d
                   -2 :              -0.00120405053524
                   -1 :               0.00128364553066
                   +0 :               0.00000000000000
                   +1 :              -0.00024447459752
                   +2 :               0.00007782430837
              2 vec=    -7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00001306486227
                2p
                   -1 :               0.00028832177751
                   +0 :              -0.00014572152541
                   +1 :              -0.00011322995718
                3s
                   +0 :              -0.00111669470609
                4s
                   +0 :               0.00037203515416
                3p
                   -1 :              -0.00152265271329
                   +0 :               0.00023799130893
                   +1 :               0.00052795359020
                4p
                   -1 :               0.00011650334973
                   +0 :              -0.00018358586796
                   +1 :              -0.00020438521529
                3d
                   -2 :               0.00036622654936
                   -1 :               0.00045547358163
                   +0 :               0.00040181540326
                   +1 :               0.00001710667643
                   +2 :               0.00009008138880
              3 vec=    -7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00031066951804
                2p
                   -1 :               0.00014339821353
                   +0 :              -0.00005689306415
                   +1 :              -0.00013213312481
                3s
                   +0 :               0.00446268212080
                4s
                   +0 :              -0.00050606769689
                3p
                   -1 :               0.00187924657661
                   +0 :               0.00004428174149
                   +1 :              -0.00000938705284
                4p
                   -1 :               0.00016201828011
                   +0 :               0.00004509991246
                   +1 :              -0.00003735628311
                3d
                   -2 :              -0.00091006677733
                   -1 :              -0.00046467303353
                   +0 :              -0.00053469742842
                   +1 :              -0.00051299618148
                   +2 :              -0.00112792960124
              4 vec=     0.000000     -8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00090990732083
                2p
                   -1 :               0.00028799962544
                   +0 :               0.00012079903127
                   +1 :              -0.00029763719749
                3s
                   +0 :              -0.01604507599252
                4s
                   +0 :               0.00098712687286
                3p
                   -1 :               0.00775378514179
                   +0 :               0.00083884269663
                   +1 :               0.00348924933970
                4p
                   -1 :               0.00022896815801
                   +0 :              -0.00050627299866
                   +1 :              -0.00036866075383
                3d
                   -2 :              -0.00169767159464
                   -1 :               0.00023769094581
                   +0 :               0.00187380925822
                   +1 :              -0.00068483205720
                   +2 :               0.00219559502199
              5 vec=     0.000000      8.983758     -7.252326   |vec|=   11.545741
                2s
                   +0 :               0.00031830090520
                2p
                   -1 :               0.00001815462013
                   +0 :               0.00010201558009
                   +1 :              -0.00038589572441
                3s
                   +0 :               0.00071541952193
                4s
                   +0 :              -0.00032244756971
                3p
                   -1 :               0.00011227830582
                   +0 :              -0.00047096942137
                   +1 :               0.00137890656579
                4p
                   -1 :              -0.00040436187192
                   +0 :               0.00019681999434
                   +1 :              -0.00033319390659
                3d
                   -2 :               0.00027930612984
                   -1 :               0.00013313344467
                   +0 :              -0.00024760143935
                   +1 :              -0.00058144875477
                   +2 :               0.00022118956536
              6 vec=     7.780163     -4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00030523604293
                2p
                   -1 :              -0.00008289728234
                   +0 :               0.00004370594532
                   +1 :              -0.00001559121924
                3s
                   +0 :               0.00040127518416
                4s
                   +0 :              -0.00004958758444
                3p
                   -1 :               0.00003175969055
                   +0 :               0.00023297811243
                   +1 :              -0.00046246171799
                4p
                   -1 :              -0.00025548085999
                   +0 :              -0.00001323412638
                   +1 :               0.00018229295295
                3d
                   -2 :               0.00020922332805
                   -1 :              -0.00022406069584
                   +0 :              -0.00015421396391
                   +1 :              -0.00000301629191
                   +2 :               0.00008036018567
              7 vec=     7.780163      4.491879     -7.252326   |vec|=   11.545741
                2s
                   +0 :              -0.00059923780279
                2p
                   -1 :               0.00035902965085
                   +0 :              -0.00006390596712
                   +1 :              -0.00008965666501
                3s
                   +0 :               0.01158239387172
                4s
                   +0 :              -0.00048105917597
                3p
                   -1 :               0.00178660786465
                   +0 :              -0.00088312443812
                   +1 :               0.00682743077639
                4p
                   -1 :               0.00048241130709
                   +0 :               0.00046117308621
                   +1 :              -0.00014502822343
                3d
                   -2 :               0.00157438756784
                   -1 :               0.00003532318979
                   +0 :              -0.00133911182979
                   +1 :               0.00000935092948
                   +2 :               0.00121591849031
              8 vec=   -15.560325     -0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00000903759660
                2p
                   -1 :               0.00002290841668
                   +0 :               0.00000585136912
                   +1 :               0.00004413741428
                3s
                   +0 :               0.00024393096497
                4s
                   +0 :              -0.00001826568359
                3p
                   -1 :              -0.00029215740382
                   +0 :               0.00010063688241
                   +1 :              -0.00030917220567
                4p
                   -1 :               0.00005327198235
                   +0 :              -0.00000649111784
                   +1 :               0.00006842062882
                3d
                   -2 :               0.00003704402323
                   -1 :               0.00006099551134
                   +0 :              -0.00003084959175
                   +1 :              -0.00000263543446
                   +2 :               0.00007798781611
              9 vec=    -7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00024603425158
                2p
                   -1 :               0.00000667202280
                   +0 :              -0.00006419139943
                   +1 :               0.00005876310863
                3s
                   +0 :              -0.00174721449286
                4s
                   +0 :               0.00024552900557
                3p
                   -1 :               0.00015630338603
                   +0 :               0.00052018813362
                   +1 :              -0.00027315722374
                4p
                   -1 :               0.00002698883987
                   +0 :              -0.00015692518517
                   +1 :               0.00009832363484
                3d
                   -2 :               0.00013936335760
                   -1 :              -0.00012900365347
                   +0 :              -0.00009012634864
                   +1 :               0.00013233304703
                   +2 :              -0.00005491854455
             10 vec=    -7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00008715393034
                2p
                   -1 :               0.00009368383140
                   +0 :               0.00005688130543
                   +1 :               0.00000628442217
                3s
                   +0 :               0.00059314225506
                4s
                   +0 :              -0.00001684972107
                3p
                   -1 :              -0.00052497790242
                   +0 :              -0.00051106365193
                   +1 :              -0.00016149156786
                4p
                   -1 :               0.00017117276332
                   +0 :               0.00012695819750
                   +1 :               0.00000451116793
                3d
                   -2 :               0.00009048916248
                   -1 :               0.00001727926030
                   +0 :               0.00009324668752
                   +1 :               0.00012853475135
                   +2 :               0.00009925572532
             11 vec=     7.780163    -13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :               0.00014310247736
                2p
                   -1 :              -0.00002302153608
                   +0 :              -0.00000691786568
                   +1 :               0.00004288590077
                3s
                   +0 :              -0.00129193792755
                4s
                   +0 :               0.00020644966677
                3p
                   -1 :               0.00008498007655
                   +0 :              -0.00003041646685
                   +1 :              -0.00049385709967
                4p
                   -1 :              -0.00002977290844
                   +0 :              -0.00004328149456
                   +1 :               0.00005638508707
                3d
                   -2 :               0.00005771852134
                   -1 :              -0.00002360890461
                   +0 :              -0.00008411087411
                   +1 :              -0.00005543448441
                   +2 :              -0.00002686642042
             12 vec=     7.780163     13.475637     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00015214007396
                2p
                   -1 :               0.00000102728279
                   +0 :               0.00000106649656
                   +1 :               0.00000373515164
                3s
                   +0 :               0.00104800696257
                4s
                   +0 :              -0.00018818398318
                3p
                   -1 :               0.00005635314626
                   +0 :              -0.00007022041556
                   +1 :              -0.00007490401395
                4p
                   -1 :               0.00002217262186
                   +0 :               0.00004977261240
                   +1 :              -0.00000951612714
                3d
                   -2 :              -0.00004342516024
                   -1 :               0.00006441862192
                   +0 :               0.00011496046587
                   +1 :              -0.00010230453292
                   +2 :               0.00000765605727
             13 vec=    15.560325      0.000000     -7.252326   |vec|=   17.167410
                2s
                   +0 :              -0.00015888032123
                2p
                   -1 :               0.00000473005146
                   +0 :               0.00000731009401
                   +1 :              -0.00004283067128
                3s
                   +0 :               0.00115407223781
                4s
                   +0 :              -0.00022867928450
                3p
                   -1 :              -0.00008763196346
                   +0 :              -0.00000912448168
                   +1 :               0.00037268250712
                4p
                   -1 :               0.00001783682205
                   +0 :               0.00002996698767
                   +1 :              -0.00007344953914
                3d
                   -2 :              -0.00001859257428
                   -1 :              -0.00005915161713
                   +0 :              -0.00000312033887
                   +1 :               0.00000374917972
                   +2 :              -0.00002015770417
             14 vec=     0.000000      0.000000     17.295216   |vec|=   17.295216
                2s
                   +0 :              -0.00000000000000
                2p
                   -1 :               0.00004377688300
                   +0 :              -0.00000000000000
                   +1 :               0.00005108202085
                3s
                   +0 :               0.00000000000000
                4s
                   +0 :              -0.00000000000000
                3p
                   -1 :              -0.00030193791623
                   +0 :               0.00000000000000
                   +1 :              -0.00028978299621
                4p
                   -1 :               0.00002797256567
                   +0 :              -0.00000000000000
                   +1 :               0.00005323930550
                3d
                   -2 :               0.00004684866873
                   -1 :              -0.00008090432507
                   +0 :              -0.00000000000000
                   +1 :              -0.00003866922645
                   +2 :              -0.00003010478993
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al(  5)  npairs=  18
              1 vec=    -2.593388     -4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :               0.00054797472364
                2p
                   -1 :               0.00003454088543
                   +0 :              -0.00018181669020
                   +1 :              -0.00003103546523
                3s
                   +0 :              -0.00309251666804
                4s
                   +0 :               0.00099396559082
                3p
                   -1 :              -0.00071919282016
                   +0 :               0.00138211925033
                   +1 :               0.00004963476986
                4p
                   -1 :               0.00002846526062
                   +0 :              -0.00060251242022
                   +1 :              -0.00007885849775
                3d
                   -2 :              -0.00002771085652
                   -1 :              -0.00005999907883
                   +0 :               0.00006712681681
                   +1 :              -0.00023797230701
                   +2 :              -0.00008742951979
              2 vec=    -2.593388      4.491879    -11.343665   |vec|=   12.473226
                2s
                   +0 :              -0.00025895426944
                2p
                   -1 :               0.00019095734519
                   +0 :              -0.00002853621328
                   +1 :               0.00012107209606
                3s
                   +0 :               0.00091359166877
                4s
                   +0 :              -0.00057332705244
                3p
                   -1 :              -0.00144197392453
                   +0 :              -0.00007744507747
                   +1 :              -0.00055910692640
                4p
                   -1 :               0.00009193229077
                   +0 :               0.00025489367770
                   +1 :               0.00019015268826
                3d
                   -2 :               0.00021058107515
                   -1 :              -0.00000471543218
                   +0 :              -0.00009768462846
                   +1 :               0.00000338706710
                   +2 :               0.00008306350554
              3 vec=     5.186775      0.000000    -11.343665   |vec|=   12.473226
                2s
                   +0 :              -0.00028902045420
                2p
                   -1 :               0.00024447812749
                   +0 :               0.00021035290349
                   +1 :              -0.00009044231230
                3s
                   +0 :               0.00217892499927
                4s
                   +0 :              -0.00042063853838
                3p
                   -1 :              -0.00160776914565
                   +0 :              -0.00130467417286
                   +1 :               0.00037121071949
                4p
                   -1 :               0.00029316929668
                   +0 :               0.00034761874252
                   +1 :               0.00000068303484
                3d
                   -2 :              -0.00005621618180
                   -1 :               0.00017666609392
                   +0 :               0.00003055781165
                   +1 :              -0.00016516966237
                   +2 :               0.00020418385922
              4 vec=    -2.593388     -4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :              -0.00036161837184
                2p
                   -1 :               0.00005096158392
                   +0 :              -0.00010231874526
                   +1 :               0.00002757515433
                3s
                   +0 :               0.00135135924595
                4s
                   +0 :              -0.00050237216448
                3p
                   -1 :               0.00077686213493
                   +0 :               0.00008020697084
                   +1 :              -0.00017812123985
                4p
                   -1 :              -0.00004652248975
                   +0 :              -0.00006301161951
                   +1 :               0.00008214912729
                3d
                   -2 :              -0.00010393156420
                   -1 :               0.00019543568386
                   +0 :              -0.00022807304544
                   +1 :               0.00006187555550
                   +2 :               0.00004595955889
              5 vec=    -2.593388      4.491879     13.203878   |vec|=   14.186085
                2s
                   +0 :               0.00025835824026
                2p
                   -1 :              -0.00021006155681
                   +0 :               0.00001904195805
                   +1 :              -0.00002971259568
                3s
                   +0 :              -0.00218798503246
                4s
                   +0 :               0.00056208288153
                3p
                   -1 :               0.00156171228927
                   +0 :              -0.00060688190081
                   +1 :              -0.00032318928468
                4p
                   -1 :              -0.00024672095837
                   +0 :               0.00008821422016
                   +1 :               0.00004490290154
                3d
                   -2 :               0.00012712045965
                   -1 :               0.00016132642255
                   +0 :               0.00007599358698
                   +1 :              -0.00007255540178
                   +2 :               0.00011616674259
              6 vec=     5.186775      0.000000     13.203878   |vec|=   14.186085
                2s
                   +0 :               0.00010326013158
                2p
                   -1 :              -0.00012916263328
                   +0 :               0.00008327678721
                   +1 :               0.00022498395017
                3s
                   +0 :               0.00083662578651
                4s
                   +0 :              -0.00005971071705
                3p
                   -1 :               0.00104365460000
                   +0 :               0.00052667492997
                   +1 :              -0.00093035543409
                4p
                   -1 :              -0.00017887790176
                   +0 :              -0.00002520260065
                   +1 :               0.00023690297404
                3d
                   -2 :              -0.00004920675689
                   -1 :               0.00006196042914
                   +0 :               0.00015207945846
                   +1 :               0.00002419956366
                   +2 :               0.00028116007299
              7 vec=   -10.373550     -0.000000    -11.343665   |vec|=   15.371704
                2s
                   +0 :              -0.00006118829792
                2p
                   -1 :               0.00007093416191
                   +0 :              -0.00002090125973
                   +1 :              -0.00002452939805
                3s
                   +0 :               0.00138392930292
                4s
                   +0 :               0.00000460468872
                3p
                   -1 :              -0.00109975814006
                   +0 :              -0.00000109002435
                   +1 :              -0.00058924979894
                4p
                   -1 :               0.00006607953707
                   +0 :              -0.00000004158938
                   +1 :              -0.00007568619482
                3d
                   -2 :               0.00028862558785
                   -1 :               0.00004475259322
                   +0 :              -0.00021560675124
                   +1 :              -0.00005249147181
                   +2 :               0.00005080095766
              8 vec=     5.186775     -8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :               0.00011210310751
                2p
                   -1 :               0.00008299284784
                   +0 :               0.00004087033039
                   +1 :              -0.00013531824665
                3s
                   +0 :              -0.00456177913088
                4s
                   +0 :               0.00012294430500
                3p
                   -1 :               0.00062621002144
                   +0 :               0.00059289841236
                   +1 :              -0.00204506822629
                4p
                   -1 :               0.00009382165414
                   +0 :              -0.00015610451447
                   +1 :              -0.00011664013573
                3d
                   -2 :               0.00040785418431
                   -1 :               0.00000595821333
                   +0 :               0.00036412576844
                   +1 :               0.00006448954908
                   +2 :              -0.00041609637038
              9 vec=     5.186775      8.983758    -11.343665   |vec|=   15.371704
                2s
                   +0 :              -0.00005091480959
                2p
                   -1 :               0.00017290946222
                   +0 :              -0.00001996907066
                   +1 :              -0.00006948069400
                3s
                   +0 :               0.00317784982796
                4s
                   +0 :              -0.00012754899371
                3p
                   -1 :               0.00102400168207
                   +0 :              -0.00059180838801
                   +1 :               0.00017757326137
                4p
                   -1 :               0.00011541774881
                   +0 :               0.00015614610384
                   +1 :              -0.00007213778714
                3d
                   -2 :              -0.00005610506096
                   -1 :              -0.00007595313257
                   +0 :              -0.00014851901720
                   +1 :              -0.00002759787987
                   +2 :              -0.00028590269975
             10 vec=   -10.373550     -0.000000     13.203878   |vec|=   16.791454
                2s
                   +0 :              -0.00035118010949
                2p
                   -1 :               0.00006796277717
                   +0 :              -0.00007495033353
                   +1 :               0.00012003719186
                3s
                   +0 :               0.00262435724022
                4s
                   +0 :              -0.00054131576944
                3p
                   -1 :              -0.00007316942980
                   +0 :               0.00103152775286
                   +1 :              -0.00135439061686
                4p
                   -1 :               0.00010825685756
                   +0 :              -0.00014967369094
                   +1 :               0.00025917375093
                3d
                   -2 :              -0.00005890671585
                   -1 :               0.00001014710842
                   +0 :               0.00007265329848
                   +1 :              -0.00031052467373
                   +2 :               0.00023286807391
             11 vec=     5.186775     -8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :              -0.00031702959284
                2p
                   -1 :               0.00007031249339
                   +0 :              -0.00003911482878
                   +1 :              -0.00000150879188
                3s
                   +0 :               0.00209768230872
                4s
                   +0 :              -0.00029787584413
                3p
                   -1 :              -0.00082773888949
                   +0 :               0.00058246548524
                   +1 :              -0.00003180074701
                4p
                   -1 :               0.00007002474803
                   +0 :              -0.00003915928677
                   +1 :               0.00002120998264
                3d
                   -2 :               0.00004066474485
                   -1 :              -0.00021014284527
                   +0 :               0.00006843924045
                   +1 :              -0.00005058084996
                   +2 :              -0.00015360898474
             12 vec=     5.186775      8.983758     13.203878   |vec|=   16.791454
                2s
                   +0 :               0.00066820970233
                2p
                   -1 :               0.00017439954493
                   +0 :               0.00011406516231
                   +1 :               0.00006129911392
                3s
                   +0 :              -0.00472203954894
                4s
                   +0 :               0.00083919161357
                3p
                   -1 :              -0.00159585058573
                   +0 :              -0.00161399323810
                   +1 :              -0.00134657200295
                4p
                   -1 :               0.00029522347131
                   +0 :               0.00018883297771
                   +1 :               0.00010708188870
                3d
                   -2 :              -0.00034381993627
                   -1 :              -0.00032511582337
                   +0 :              -0.00014109253893
                   +1 :              -0.00037132945794
                   +2 :              -0.00004660186987
             13 vec=   -10.373550     -8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00015968087438
                2p
                   -1 :              -0.00008550117652
                   +0 :              -0.00002255080115
                   +1 :              -0.00004685568175
                3s
                   +0 :              -0.00108378629130
                4s
                   +0 :               0.00013629490159
                3p
                   -1 :               0.00059732758054
                   +0 :               0.00028610732675
                   +1 :               0.00039895687710
                4p
                   -1 :              -0.00009274336842
                   +0 :              -0.00003496058950
                   +1 :              -0.00003244736638
                3d
                   -2 :              -0.00016963395884
                   -1 :              -0.00010128369835
                   +0 :               0.00004122318888
                   +1 :              -0.00003666273521
                   +2 :               0.00000636994418
             14 vec=   -10.373550      8.983758    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00003639724569
                2p
                   -1 :              -0.00001354509904
                   +0 :               0.00003347296928
                   +1 :               0.00004592022199
                3s
                   +0 :               0.00035322588636
                4s
                   +0 :              -0.00011104822605
                3p
                   -1 :               0.00013598115274
                   +0 :              -0.00023952156523
                   +1 :              -0.00019876468142
                4p
                   -1 :              -0.00004949012201
                   +0 :               0.00007332776556
                   +1 :               0.00006842696699
                3d
                   -2 :              -0.00001873668022
                   -1 :              -0.00005188525092
                   +0 :               0.00005560308430
                   +1 :               0.00003398887525
                   +2 :               0.00006311341835
             15 vec=    -2.593388    -13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00003870878974
                2p
                   -1 :              -0.00001160247799
                   +0 :              -0.00001950297503
                   +1 :               0.00004119285245
                3s
                   +0 :              -0.00100919540832
                4s
                   +0 :               0.00016612554334
                3p
                   -1 :               0.00023887362334
                   +0 :               0.00034392037755
                   +1 :               0.00007722958038
                4p
                   -1 :              -0.00006241435302
                   +0 :              -0.00011675057661
                   +1 :               0.00002599624766
                3d
                   -2 :               0.00004327226666
                   -1 :              -0.00004788238088
                   +0 :              -0.00001895241467
                   +1 :              -0.00001155849354
                   +2 :               0.00002929702954
             16 vec=    -2.593388     13.475637    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00018755298638
                2p
                   -1 :              -0.00009780887264
                   +0 :               0.00000567576860
                   +1 :               0.00007252050393
                3s
                   +0 :               0.00088903785452
                4s
                   +0 :              -0.00012155422282
                3p
                   -1 :               0.00054520004912
                   +0 :              -0.00005281395902
                   +1 :              -0.00039974973644
                4p
                   -1 :              -0.00005540933284
                   +0 :              -0.00001441907180
                   +1 :               0.00008248926091
                3d
                   -2 :              -0.00005607515016
                   -1 :              -0.00003302408613
                   +0 :              -0.00006696481015
                   +1 :               0.00004581514467
                   +2 :              -0.00011886457497
             17 vec=    12.966938     -4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :               0.00002787211200
                2p
                   -1 :               0.00001172778482
                   +0 :               0.00001687503255
                   +1 :               0.00002349118859
                3s
                   +0 :               0.00019474843678
                4s
                   +0 :              -0.00001474067876
                3p
                   -1 :              -0.00012043640266
                   +0 :              -0.00023329336773
                   +1 :               0.00004474733678
                4p
                   -1 :               0.00002546168843
                   +0 :               0.00004937966130
                   +1 :              -0.00000731127598
                3d
                   -2 :              -0.00000439827948
                   -1 :               0.00000427404699
                   +0 :               0.00002574162127
                   +1 :              -0.00005453835350
                   +2 :               0.00004209749774
             18 vec=    12.966938      4.491879    -11.343665   |vec|=   17.804415
                2s
                   +0 :              -0.00000231154406
                2p
                   -1 :              -0.00000847976641
                   +0 :              -0.00001396999426
                   +1 :               0.00004523889639
                3s
                   +0 :               0.00065596952196
                4s
                   +0 :              -0.00005507731729
                3p
                   -1 :              -0.00005159065398
                   +0 :              -0.00010439881232
                   +1 :               0.00002833994288
                4p
                   -1 :              -0.00001920615668
                   +0 :               0.00004342281105
                   +1 :               0.00003601889494
                3d
                   -2 :              -0.00001701805855
                   -1 :              -0.00001043863745
                   +0 :              -0.00003665066963
                   +1 :               0.00001468177800
                   +2 :              -0.00000749609931
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al(  6)  npairs=  12
              1 vec=    -2.593388     -4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00690961530203
                2p
                   -1 :              -0.00175602574141
                   +0 :              -0.00181781695932
                   +1 :              -0.00109486949847
                3s
                   +0 :              -0.05661828257096
                4s
                   +0 :               0.00511248513085
                3p
                   -1 :               0.00717981261657
                   +0 :               0.02006780198529
                   +1 :               0.02452817856554
                4p
                   -1 :              -0.00186236346245
                   +0 :              -0.00107745488806
                   +1 :              -0.00048149171654
                3d
                   -2 :               0.00108992766599
                   -1 :               0.00296326956818
                   +0 :               0.00049711211275
                   +1 :              -0.00523683847054
                   +2 :              -0.00687499051816
              2 vec=    -2.593388      4.491879     -4.091339   |vec|=    6.606186
                2s
                   +0 :              -0.00859541476102
                2p
                   -1 :              -0.00050404914245
                   +0 :               0.00277600157559
                   +1 :               0.00071593208020
                3s
                   +0 :               0.07027864661377
                4s
                   +0 :              -0.00683875985996
                3p
                   -1 :               0.02284741594962
                   +0 :              -0.03760286427661
                   +1 :              -0.00254627869103
                4p
                   -1 :               0.00005767862199
                   +0 :               0.00256206153709
                   +1 :               0.00077076195350
                3d
                   -2 :               0.00246031617842
                   -1 :              -0.00690943224211
                   +0 :               0.00873962078828
                   +1 :              -0.00096967386785
                   +2 :              -0.00229543236830
              3 vec=     5.186775      0.000000     -4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00168579945899
                2p
                   -1 :               0.00043816272641
                   +0 :              -0.00095818461627
                   +1 :              -0.00127371224877
                3s
                   +0 :              -0.01366036404280
                4s
                   +0 :               0.00172627472911
                3p
                   -1 :              -0.00843355349477
                   +0 :               0.01753506229132
                   +1 :              -0.00257759256558
                4p
                   -1 :               0.00018214107001
                   +0 :              -0.00148460664904
                   +1 :              -0.00151817010298
                3d
                   -2 :              -0.00219089177369
                   -1 :               0.00172239161110
                   +0 :              -0.00923673290103
                   +1 :               0.00544675440250
                   +2 :              -0.00339842017842
              4 vec=   -10.373550     -0.000000     -4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00122725752579
                2p
                   -1 :              -0.00032148103465
                   +0 :              -0.00029585102333
                   +1 :              -0.00061944256739
                3s
                   +0 :              -0.00548711538253
                4s
                   +0 :               0.00140368453386
                3p
                   -1 :               0.00288180271011
                   +0 :               0.00294422347992
                   +1 :               0.00299109973141
                4p
                   -1 :              -0.00063521925706
                   +0 :              -0.00065974263214
                   +1 :              -0.00047411279886
                3d
                   -2 :              -0.00036885229907
                   -1 :              -0.00121884564166
                   +0 :              -0.00015178640698
                   +1 :              -0.00069281319537
                   +2 :               0.00012935496070
              5 vec=     5.186775     -8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00040671917627
                2p
                   -1 :              -0.00004635268399
                   +0 :              -0.00001727854464
                   +1 :              -0.00014644348037
                3s
                   +0 :              -0.00237922335837
                4s
                   +0 :              -0.00028400105439
                3p
                   -1 :              -0.00054034235844
                   +0 :               0.00074822859907
                   +1 :               0.00104707670871
                4p
                   -1 :               0.00027838804664
                   +0 :               0.00037460278723
                   +1 :              -0.00061165991346
                3d
                   -2 :              -0.00031204315766
                   -1 :              -0.00017818718981
                   +0 :              -0.00094136946499
                   +1 :               0.00019742748999
                   +2 :               0.00004209166709
              6 vec=     5.186775      8.983758     -4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00163397670207
                2p
                   -1 :              -0.00059354608465
                   +0 :               0.00031312956797
                   +1 :              -0.00014467488290
                3s
                   +0 :               0.00786633874090
                4s
                   +0 :              -0.00111968347948
                3p
                   -1 :               0.00285430349904
                   +0 :              -0.00369245207899
                   +1 :              -0.00094457634474
                4p
                   -1 :              -0.00005929630976
                   +0 :               0.00028513984491
                   +1 :               0.00024832077793
                3d
                   -2 :              -0.00041601995745
                   -1 :              -0.00146948746473
                   +0 :               0.00109315587197
                   +1 :               0.00065354380327
                   +2 :               0.00003652515426
              7 vec=   -10.373550     -8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00032506240835
                2p
                   -1 :              -0.00001840367074
                   +0 :              -0.00003431535383
                   +1 :              -0.00007429685319
                3s
                   +0 :              -0.00154168238985
                4s
                   +0 :               0.00022985850691
                3p
                   -1 :               0.00026234564947
                   +0 :               0.00010421252714
                   +1 :               0.00035390961168
                4p
                   -1 :               0.00003200442317
                   +0 :               0.00004402526669
                   +1 :              -0.00003325227795
                3d
                   -2 :              -0.00011518522761
                   -1 :              -0.00022321117278
                   +0 :              -0.00010827542889
                   +1 :              -0.00004417310088
                   +2 :               0.00022390033336
              8 vec=   -10.373550      8.983758     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00017183000506
                2p
                   -1 :              -0.00014783066839
                   +0 :              -0.00005125490531
                   +1 :               0.00010771880026
                3s
                   +0 :               0.00071677654506
                4s
                   +0 :              -0.00036431573728
                3p
                   -1 :               0.00059213354194
                   +0 :               0.00009914834277
                   +1 :              -0.00048265715577
                4p
                   -1 :              -0.00018594086585
                   +0 :              -0.00003845419368
                   +1 :               0.00024064986242
                3d
                   -2 :              -0.00011176683041
                   -1 :               0.00005594193995
                   +0 :              -0.00016027883847
                   +1 :               0.00018007844130
                   +2 :              -0.00002964368984
              9 vec=    -2.593388    -13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00017769943010
                2p
                   -1 :              -0.00011641486407
                   +0 :               0.00011080125316
                   +1 :               0.00000994230834
                3s
                   +0 :              -0.00171440653174
                4s
                   +0 :               0.00029150159036
                3p
                   -1 :               0.00075821471234
                   +0 :              -0.00051932546071
                   +1 :              -0.00050217981213
                4p
                   -1 :              -0.00017990971782
                   +0 :               0.00016566014989
                   +1 :               0.00002188598147
                3d
                   -2 :               0.00007391939282
                   -1 :              -0.00000058028737
                   +0 :               0.00016259597580
                   +1 :               0.00012034920499
                   +2 :               0.00005070782964
             10 vec=    -2.593388     13.475637     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00011137393595
                2p
                   -1 :               0.00002595217276
                   +0 :              -0.00002757522772
                   +1 :               0.00000852662699
                3s
                   +0 :               0.00017511144704
                4s
                   +0 :               0.00004457267407
                3p
                   -1 :              -0.00045439447984
                   +0 :               0.00044593099928
                   +1 :              -0.00044588712116
                4p
                   -1 :               0.00016126802410
                   +0 :              -0.00009006105478
                   +1 :               0.00003213498396
                3d
                   -2 :              -0.00023690807452
                   -1 :               0.00002025338885
                   +0 :              -0.00000562899313
                   +1 :               0.00007802370080
                   +2 :               0.00014948721548
             11 vec=    12.966938     -4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00021368847240
                2p
                   -1 :               0.00007550148888
                   +0 :               0.00006189058156
                   +1 :              -0.00007129840037
                3s
                   +0 :               0.00136657094280
                4s
                   +0 :              -0.00027443118098
                3p
                   -1 :              -0.00078866870369
                   +0 :              -0.00055014352642
                   +1 :               0.00057472640515
                4p
                   -1 :               0.00015326325353
                   +0 :               0.00004603578809
                   +1 :              -0.00011250420918
                3d
                   -2 :              -0.00011160300060
                   -1 :               0.00000434664255
                   +0 :               0.00011390442203
                   +1 :              -0.00019392119534
                   +2 :               0.00008127869677
             12 vec=    12.966938      4.491879     -4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00000586942504
                2p
                   -1 :              -0.00004744584034
                   +0 :              -0.00005954634785
                   +1 :               0.00008603743892
                3s
                   +0 :               0.00099762998668
                4s
                   +0 :               0.00007281414691
                3p
                   -1 :               0.00069208124350
                   +0 :               0.00042017711794
                   +1 :              -0.00034858797130
                4p
                   -1 :               0.00000652978649
                   +0 :              -0.00012720595621
                   +1 :               0.00013649104935
                3d
                   -2 :               0.00005066273831
                   -1 :               0.00007940786229
                   +0 :              -0.00000231713733
                   +1 :               0.00010126413841
                   +2 :              -0.00015027691656
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al(  7)  npairs=  15
              1 vec=    -2.593388     -4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00126846836899
                2p
                   -1 :               0.00044197812088
                   +0 :              -0.00013901557238
                   +1 :              -0.00037271023749
                3s
                   +0 :               0.01246059141931
                4s
                   +0 :              -0.00268200050157
                3p
                   -1 :              -0.00593817283843
                   +0 :               0.00522118573539
                   +1 :              -0.00053482748647
                4p
                   -1 :               0.00120776648074
                   +0 :              -0.00149404096217
                   +1 :              -0.00067603964050
                3d
                   -2 :               0.00078508728440
                   -1 :              -0.00087245199428
                   +0 :               0.00074664869443
                   +1 :              -0.00022553932777
                   +2 :               0.00001544946736
              2 vec=    -2.593388      4.491879      8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00134923607916
                2p
                   -1 :               0.00069327438755
                   +0 :               0.00057075802496
                   +1 :              -0.00045251332947
                3s
                   +0 :              -0.00565880992263
                4s
                   +0 :               0.00278917835598
                3p
                   -1 :               0.00083540249213
                   +0 :              -0.00536723279616
                   +1 :               0.00588085871261
                4p
                   -1 :               0.00035965246273
                   +0 :               0.00185933898519
                   +1 :              -0.00136489696306
                3d
                   -2 :               0.00081339581791
                   -1 :              -0.00086681337333
                   +0 :              -0.00117567886462
                   +1 :               0.00061046387597
                   +2 :               0.00007224548322
              3 vec=     5.186775      0.000000      8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00008076771017
                2p
                   -1 :               0.00049851474926
                   +0 :              -0.00043174245258
                   +1 :              -0.00063024073430
                3s
                   +0 :              -0.00680178149668
                4s
                   +0 :              -0.00010717785442
                3p
                   -1 :               0.00300476205796
                   +0 :               0.00014604706077
                   +1 :              -0.00319307269764
                4p
                   -1 :               0.00018714153082
                   +0 :              -0.00036529802302
                   +1 :              -0.00028598001687
                3d
                   -2 :               0.00075005475859
                   -1 :              -0.00014563267172
                   +0 :               0.00042903017019
                   +1 :               0.00018757908512
                   +2 :               0.00006836338446
              4 vec=   -10.373550     -0.000000      8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00031148601148
                2p
                   -1 :               0.00003852891079
                   +0 :               0.00002336531584
                   +1 :              -0.00002683008548
                3s
                   +0 :               0.00087480282946
                4s
                   +0 :               0.00009838023019
                3p
                   -1 :               0.00027481516829
                   +0 :              -0.00035962573886
                   +1 :              -0.00002470247420
                4p
                   -1 :              -0.00003491812510
                   +0 :              -0.00000715715386
                   +1 :              -0.00031532661736
                3d
                   -2 :              -0.00017311613050
                   -1 :               0.00025551860256
                   +0 :              -0.00023487871841
                   +1 :               0.00010930929582
                   +2 :               0.00010783939304
              5 vec=     5.186775     -8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00002303279173
                2p
                   -1 :               0.00010431949860
                   +0 :              -0.00000905320991
                   +1 :               0.00000361881741
                3s
                   +0 :               0.00102869690533
                4s
                   +0 :              -0.00026320707678
                3p
                   -1 :              -0.00061627545306
                   +0 :               0.00053835270890
                   +1 :               0.00041260677644
                4p
                   -1 :               0.00025469249962
                   +0 :              -0.00014135464315
                   +1 :              -0.00003301030823
                3d
                   -2 :              -0.00006408583034
                   -1 :              -0.00002685056850
                   +0 :               0.00009302047794
                   +1 :               0.00009256076011
                   +2 :               0.00007030990451
              6 vec=     5.186775      8.983758      8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00028845321976
                2p
                   -1 :               0.00004505468127
                   +0 :              -0.00001431210593
                   +1 :               0.00004537068635
                3s
                   +0 :              -0.00190349973479
                4s
                   +0 :               0.00016482684659
                3p
                   -1 :              -0.00054945106275
                   +0 :              -0.00017872697005
                   +1 :              -0.00057775496404
                4p
                   -1 :              -0.00013460590835
                   +0 :               0.00014851179701
                   +1 :               0.00007664169542
                3d
                   -2 :              -0.00015110247088
                   -1 :               0.00012883867443
                   +0 :               0.00014185824047
                   +1 :              -0.00014360384741
                   +2 :              -0.00000534836094
              7 vec=   -10.373550     -8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00000673941202
                2p
                   -1 :               0.00001256054733
                   +0 :               0.00005739668976
                   +1 :              -0.00001284225160
                3s
                   +0 :               0.00038099200184
                4s
                   +0 :              -0.00009058195461
                3p
                   -1 :              -0.00008747101236
                   +0 :              -0.00036219225933
                   +1 :               0.00001741511438
                4p
                   -1 :               0.00003624274478
                   +0 :               0.00009901440804
                   +1 :               0.00003427381788
                3d
                   -2 :              -0.00000772267902
                   -1 :               0.00006045510077
                   +0 :              -0.00002831448956
                   +1 :               0.00017664912562
                   +2 :              -0.00001096932625
              8 vec=   -10.373550      8.983758      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00012022103835
                2p
                   -1 :              -0.00003752681889
                   +0 :              -0.00004863377531
                   +1 :              -0.00001834693834
                3s
                   +0 :              -0.00097591520901
                4s
                   +0 :               0.00008954898182
                3p
                   -1 :               0.00001258118613
                   +0 :               0.00018474304381
                   +1 :               0.00029686688367
                4p
                   -1 :              -0.00001174405457
                   +0 :              -0.00002116579268
                   +1 :              -0.00002661773978
                3d
                   -2 :              -0.00000667393326
                   -1 :               0.00007851843882
                   +0 :              -0.00001551229919
                   +1 :              -0.00005296979692
                   +2 :              -0.00007753643488
              9 vec=    -2.593388    -13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00008641986668
                2p
                   -1 :               0.00005081772257
                   +0 :               0.00002868526499
                   +1 :               0.00001881380698
                3s
                   +0 :               0.00048947044240
                4s
                   +0 :              -0.00008274472199
                3p
                   -1 :              -0.00040391583473
                   +0 :              -0.00019990897158
                   +1 :              -0.00000317081820
                4p
                   -1 :               0.00009310384324
                   +0 :               0.00002764211643
                   +1 :               0.00005444047798
                3d
                   -2 :              -0.00007199294829
                   -1 :               0.00002564116776
                   +0 :               0.00000590604924
                   +1 :               0.00002675476391
                   +2 :              -0.00008567954237
             10 vec=    -2.593388     13.475637      8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00020213148470
                2p
                   -1 :               0.00005128241049
                   +0 :               0.00004365125314
                   +1 :               0.00000636240558
                3s
                   +0 :              -0.00149780660003
                4s
                   +0 :               0.00026073183559
                3p
                   -1 :              -0.00041274552361
                   +0 :              -0.00044055594566
                   +1 :              -0.00030936411454
                4p
                   -1 :               0.00012406946075
                   +0 :               0.00003787122273
                   +1 :               0.00005845792369
                3d
                   -2 :              -0.00008216373581
                   -1 :              -0.00003288001238
                   +0 :              -0.00007591521495
                   +1 :              -0.00004560263116
                   +2 :               0.00000159239551
             11 vec=    12.966938     -4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00019539207269
                2p
                   -1 :               0.00004855319990
                   +0 :              -0.00010104794291
                   +1 :              -0.00003677404020
                3s
                   +0 :               0.00111681459818
                4s
                   +0 :              -0.00017014988098
                3p
                   -1 :              -0.00053310738166
                   +0 :               0.00080274820499
                   +1 :               0.00013572148987
                4p
                   -1 :               0.00010110015277
                   +0 :              -0.00013688563078
                   +1 :              -0.00002969429638
                3d
                   -2 :              -0.00005582197757
                   -1 :              -0.00017868812321
                   +0 :               0.00010422970452
                   +1 :               0.00014635382628
                   +2 :              -0.00006915631164
             12 vec=    12.966938      4.491879      8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00003380117166
                2p
                   -1 :              -0.00002553669763
                   +0 :               0.00001994851033
                   +1 :               0.00007674205151
                3s
                   +0 :               0.00048644476661
                4s
                   +0 :              -0.00000680425982
                3p
                   -1 :               0.00006417294760
                   +0 :               0.00001516592777
                   +1 :              -0.00021384896793
                4p
                   -1 :              -0.00002951858144
                   +0 :              -0.00000647632375
                   +1 :               0.00010471231213
                3d
                   -2 :              -0.00004638557873
                   -1 :              -0.00001696369170
                   +0 :               0.00000960624995
                   +1 :              -0.00005890057652
                   +2 :              -0.00002504006226
             13 vec=    -2.593388     -4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00012236775507
                2p
                   -1 :              -0.00003997385048
                   +0 :              -0.00001053465112
                   +1 :               0.00007758492300
                3s
                   +0 :              -0.00119516898552
                4s
                   +0 :               0.00024124449385
                3p
                   -1 :               0.00004690369000
                   +0 :               0.00043145769112
                   +1 :              -0.00035635769783
                4p
                   -1 :              -0.00003420857579
                   +0 :              -0.00006989920563
                   +1 :               0.00008087831305
                3d
                   -2 :               0.00004813505027
                   -1 :               0.00000073924512
                   +0 :              -0.00001190847826
                   +1 :               0.00003608377007
                   +2 :              -0.00003499858793
             14 vec=    -2.593388      4.491879    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00006014370957
                2p
                   -1 :              -0.00000749780947
                   +0 :               0.00000912938658
                   +1 :               0.00003683126113
                3s
                   +0 :               0.00078927113408
                4s
                   +0 :              -0.00014632348726
                3p
                   -1 :               0.00001602205607
                   +0 :              -0.00035684904606
                   +1 :              -0.00020905267336
                4p
                   -1 :              -0.00000027136075
                   +0 :               0.00005584089394
                   +1 :               0.00003941885836
                3d
                   -2 :               0.00001993054384
                   -1 :              -0.00001152197175
                   +0 :               0.00009111601015
                   +1 :               0.00003720268692
                   +2 :               0.00002560171245
             15 vec=     5.186775      0.000000    -16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00006222404550
                2p
                   -1 :              -0.00005902953645
                   +0 :               0.00000140526454
                   +1 :               0.00002908301553
                3s
                   +0 :               0.00040589785144
                4s
                   +0 :              -0.00009492100660
                3p
                   -1 :               0.00015903276632
                   +0 :              -0.00007460864506
                   +1 :              -0.00025596090611
                4p
                   -1 :              -0.00005314490926
                   +0 :               0.00001405831169
                   +1 :               0.00003075809534
                3d
                   -2 :              -0.00001844860256
                   -1 :              -0.00000442235289
                   +0 :              -0.00007920753190
                   +1 :               0.00004726175378
                   +2 :              -0.00002912425680
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al(  8)  npairs=  12
              1 vec=    -2.593388     -4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :               0.00017023612137
                2p
                   -1 :               0.00060758888166
                   +0 :               0.00254458983469
                   +1 :              -0.00191786766095
                3s
                   +0 :               0.01718289116397
                4s
                   +0 :              -0.00275430571545
                3p
                   -1 :              -0.00596369140879
                   +0 :              -0.00382310706538
                   +1 :               0.00758745224756
                4p
                   -1 :               0.00217051331574
                   +0 :               0.00091396249438
                   +1 :              -0.00139151692828
                3d
                   -2 :              -0.00544804267762
                   -1 :              -0.00496299637108
                   +0 :               0.00951809184361
                   +1 :              -0.00484624259688
                   +2 :              -0.00468928558688
              2 vec=    -2.593388      4.491879      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00007359459222
                2p
                   -1 :               0.00111105124877
                   +0 :              -0.00252564362292
                   +1 :              -0.00211149275453
                3s
                   +0 :               0.00006101305512
                4s
                   +0 :               0.00530907460863
                3p
                   -1 :              -0.01402096750079
                   +0 :               0.00622544952418
                   +1 :               0.01768698352718
                4p
                   -1 :               0.00204063402638
                   +0 :              -0.00067645350910
                   +1 :              -0.00370508607586
                3d
                   -2 :               0.01040868493070
                   -1 :              -0.00838261617621
                   +0 :               0.00416067022064
                   +1 :               0.01104320309966
                   +2 :              -0.00164607867698
              3 vec=     5.186775      0.000000      0.930106   |vec|=    5.269510
                2s
                   +0 :              -0.00009664152915
                2p
                   -1 :               0.00069163581537
                   +0 :              -0.00001894621177
                   +1 :              -0.00245069140751
                3s
                   +0 :              -0.01724390421909
                4s
                   +0 :              -0.00255476889318
                3p
                   -1 :              -0.00124587880032
                   +0 :              -0.00240234245880
                   +1 :               0.01961502366835
                4p
                   -1 :               0.00010196401584
                   +0 :              -0.00023750898527
                   +1 :              -0.00243582273805
                3d
                   -2 :              -0.00015517336641
                   -1 :               0.00708785735160
                   +0 :              -0.01367876206426
                   +1 :               0.00605995787392
                   +2 :               0.01056464679776
              4 vec=   -10.373550     -0.000000      0.930106   |vec|=   10.415164
                2s
                   +0 :              -0.00125634177172
                2p
                   -1 :               0.00004522431052
                   +0 :              -0.00038299292188
                   +1 :               0.00074230266527
                3s
                   +0 :               0.00480853055348
                4s
                   +0 :              -0.00067761926737
                3p
                   -1 :               0.00077878091489
                   +0 :               0.00151278365939
                   +1 :              -0.00379544244117
                4p
                   -1 :               0.00021304697213
                   +0 :              -0.00063517972645
                   +1 :               0.00049554205240
                3d
                   -2 :              -0.00016680212819
                   -1 :               0.00033763456580
                   +0 :              -0.00040784491017
                   +1 :              -0.00035902682388
                   +2 :               0.00053176147753
              5 vec=     5.186775     -8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00068054175222
                2p
                   -1 :              -0.00041409842252
                   +0 :               0.00032841817667
                   +1 :              -0.00016599077036
                3s
                   +0 :              -0.00475556371375
                4s
                   +0 :               0.00069291551030
                3p
                   -1 :               0.00141320179248
                   +0 :              -0.00667431668864
                   +1 :              -0.00238698769118
                4p
                   -1 :              -0.00045583195297
                   +0 :               0.00085319303596
                   +1 :              -0.00014372735052
                3d
                   -2 :               0.00061263817279
                   -1 :               0.00080932976653
                   +0 :              -0.00064166898253
                   +1 :              -0.00073529095372
                   +2 :               0.00018165441582
              6 vec=     5.186775      8.983758      0.930106   |vec|=   10.415164
                2s
                   +0 :               0.00057580001949
                2p
                   -1 :               0.00060216813334
                   +0 :               0.00005457474521
                   +1 :              -0.00010962920789
                3s
                   +0 :              -0.00005296683973
                4s
                   +0 :              -0.00001529624293
                3p
                   -1 :              -0.00012376623990
                   +0 :               0.00516153302925
                   +1 :              -0.00254179046949
                4p
                   -1 :               0.00043223105237
                   +0 :              -0.00021801330951
                   +1 :              -0.00040335879025
                3d
                   -2 :              -0.00008028358719
                   -1 :               0.00089933646114
                   +0 :               0.00104951389270
                   +1 :              -0.00013865886212
                   +2 :              -0.00031830715471
              7 vec=   -10.373550     -8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00005839946278
                2p
                   -1 :               0.00023217644085
                   +0 :               0.00010673978045
                   +1 :               0.00005025341961
                3s
                   +0 :              -0.00063938825425
                4s
                   +0 :               0.00001995346317
                3p
                   -1 :              -0.00077529166444
                   +0 :              -0.00088356755471
                   +1 :              -0.00047320869693
                4p
                   -1 :               0.00022713067708
                   +0 :               0.00016379341094
                   +1 :               0.00002825380261
                3d
                   -2 :               0.00020274487840
                   -1 :               0.00010665280239
                   +0 :              -0.00048246706737
                   +1 :               0.00025398131047
                   +2 :              -0.00004766084757
              8 vec=   -10.373550      8.983758      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00020379842027
                2p
                   -1 :               0.00001767230742
                   +0 :               0.00004916212795
                   +1 :              -0.00003244263423
                3s
                   +0 :              -0.00086414934863
                4s
                   +0 :              -0.00011746809877
                3p
                   -1 :              -0.00021819905645
                   +0 :              -0.00013074289382
                   +1 :               0.00033058821680
                4p
                   -1 :              -0.00009920150094
                   +0 :               0.00001729340537
                   +1 :               0.00010592696436
                3d
                   -2 :               0.00006579445709
                   -1 :              -0.00010851326914
                   +0 :              -0.00005466656262
                   +1 :              -0.00015973842648
                   +2 :              -0.00007911438969
              9 vec=    -2.593388    -13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00018253423183
                2p
                   -1 :               0.00011109164805
                   +0 :              -0.00005141612514
                   +1 :              -0.00007859482940
                3s
                   +0 :              -0.00025515699720
                4s
                   +0 :               0.00016438794879
                3p
                   -1 :              -0.00060642692917
                   +0 :              -0.00001361055091
                   +1 :               0.00018305063328
                4p
                   -1 :              -0.00000066613723
                   +0 :              -0.00003113026626
                   +1 :              -0.00003785696237
                3d
                   -2 :              -0.00000083647312
                   -1 :               0.00010990652361
                   +0 :              -0.00015805988749
                   +1 :              -0.00015542906302
                   +2 :              -0.00012176798274
             10 vec=    -2.593388     13.475637      0.930106   |vec|=   13.754401
                2s
                   +0 :               0.00013290794234
                2p
                   -1 :               0.00017178571734
                   +0 :              -0.00010135008919
                   +1 :              -0.00008807985533
                3s
                   +0 :              -0.00064441560772
                4s
                   +0 :               0.00006471045496
                3p
                   -1 :              -0.00139753571857
                   +0 :               0.00077992249614
                   +1 :               0.00015000533836
                4p
                   -1 :               0.00016119192571
                   +0 :              -0.00021532603211
                   +1 :              -0.00001887759798
                3d
                   -2 :               0.00015426955826
                   -1 :               0.00019371593085
                   +0 :               0.00038563951669
                   +1 :               0.00003960540928
                   +2 :               0.00020867462321
             11 vec=    12.966938     -4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00007450847957
                2p
                   -1 :               0.00008218094881
                   +0 :              -0.00000538969126
                   +1 :               0.00003338668286
                3s
                   +0 :               0.00128380386197
                4s
                   +0 :              -0.00008466391813
                3p
                   -1 :              -0.00054669450495
                   +0 :               0.00010364505857
                   +1 :               0.00037727747895
                4p
                   -1 :               0.00015334431118
                   +0 :               0.00005153262118
                   +1 :               0.00006179273609
                3d
                   -2 :              -0.00004348581126
                   -1 :              -0.00003547060978
                   +0 :               0.00009682755068
                   +1 :               0.00007139447890
                   +2 :               0.00003852602912
             12 vec=    12.966938      4.491879      0.930106   |vec|=   13.754401
                2s
                   +0 :              -0.00002126418844
                2p
                   -1 :               0.00010435095119
                   +0 :               0.00000225399719
                   +1 :               0.00002538479037
                3s
                   +0 :               0.00111930634583
                4s
                   +0 :              -0.00004691985002
                3p
                   -1 :              -0.00028454169747
                   +0 :               0.00014435344473
                   +1 :              -0.00007939577519
                4p
                   -1 :               0.00007458671411
                   +0 :               0.00001383686088
                   +1 :               0.00011936912914
                3d
                   -2 :              -0.00000446010316
                   -1 :              -0.00000303539099
                   +0 :               0.00021272645011
                   +1 :               0.00003157334447
                   +2 :              -0.00004273710798
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al(  9)  npairs=  12
              1 vec=    -5.186775     -0.000000     -3.160987   |vec|=    6.074082
                2s
                   +0 :               0.00062543564845
                2p
                   -1 :               0.00047522252731
                   +0 :               0.00033590294762
                   +1 :               0.00229789449404
                3s
                   +0 :              -0.02976061994234
                4s
                   +0 :              -0.00547000494249
                3p
                   -1 :               0.01396267681377
                   +0 :               0.01297364495217
                   +1 :               0.00327998490377
                4p
                   -1 :              -0.00245864587118
                   +0 :               0.00200278410059
                   +1 :               0.00438311727199
                3d
                   -2 :              -0.00617449027383
                   -1 :              -0.00671715157771
                   +0 :              -0.00439826868640
                   +1 :              -0.00250284971772
                   +2 :               0.00015708950865
              2 vec=     2.593388     -4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :              -0.00020587934742
                2p
                   -1 :               0.00101847060432
                   +0 :               0.00032277193865
                   +1 :               0.00224956475912
                3s
                   +0 :              -0.00160644314936
                4s
                   +0 :              -0.00273219860685
                3p
                   -1 :              -0.02719868087955
                   +0 :              -0.01581617425615
                   +1 :              -0.01393510417942
                4p
                   -1 :               0.00384397735295
                   +0 :               0.00152664360813
                   +1 :               0.00098792406077
                3d
                   -2 :              -0.00682623270578
                   -1 :               0.00825237909540
                   +0 :               0.00560972696893
                   +1 :              -0.00506264804915
                   +2 :              -0.00937507265106
              3 vec=     2.593388      4.491879     -3.160987   |vec|=    6.074082
                2s
                   +0 :              -0.00041955630103
                2p
                   -1 :               0.00078870134401
                   +0 :              -0.00065867488626
                   +1 :               0.00274419626183
                3s
                   +0 :               0.03136706309169
                4s
                   +0 :               0.00820220354935
                3p
                   -1 :               0.00829070244157
                   +0 :               0.00284252930398
                   +1 :              -0.04097434105450
                4p
                   -1 :               0.00363298931256
                   +0 :              -0.00352942770872
                   +1 :               0.00814375248896
                3d
                   -2 :              -0.01475545607311
                   -1 :               0.00298446414243
                   +0 :              -0.00121145828253
                   +1 :               0.00918124496221
                   +2 :              -0.00404456606841
              4 vec=    -5.186775     -8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :               0.00111269292503
                2p
                   -1 :              -0.00009325532960
                   +0 :              -0.00058386339492
                   +1 :               0.00010448150972
                3s
                   +0 :              -0.01012163834261
                4s
                   +0 :               0.00081428110035
                3p
                   -1 :               0.00021424849076
                   +0 :               0.00768815394480
                   +1 :               0.00148063315218
                4p
                   -1 :              -0.00002302415288
                   +0 :              -0.00092369206461
                   +1 :               0.00043299408650
                3d
                   -2 :               0.00073094628392
                   -1 :              -0.00099804188647
                   +0 :              -0.00161570751594
                   +1 :              -0.00171599614821
                   +2 :              -0.00009185665984
              5 vec=    -5.186775      8.983758     -3.160987   |vec|=   10.844463
                2s
                   +0 :               0.00002346767690
                2p
                   -1 :               0.00019220221783
                   +0 :               0.00019647819930
                   +1 :               0.00037738186837
                3s
                   +0 :               0.00530317594650
                4s
                   +0 :               0.00000695159749
                3p
                   -1 :               0.00126428931587
                   +0 :              -0.00431526734283
                   +1 :               0.00079162728733
                4p
                   -1 :               0.00039246592613
                   +0 :               0.00038401761128
                   +1 :               0.00048295523629
                3d
                   -2 :               0.00102246780008
                   -1 :              -0.00149249744152
                   +0 :               0.00108177135732
                   +1 :              -0.00024887337792
                   +2 :              -0.00015054095601
              6 vec=    10.373550      0.000000     -3.160987   |vec|=   10.844463
                2s
                   +0 :              -0.00113616060193
                2p
                   -1 :               0.00028581208740
                   +0 :               0.00038738519562
                   +1 :              -0.00000628179873
                3s
                   +0 :               0.00481846239610
                4s
                   +0 :              -0.00082123269784
                3p
                   -1 :               0.00014257232100
                   +0 :              -0.00337288660196
                   +1 :               0.00022676819020
                4p
                   -1 :               0.00022798851154
                   +0 :               0.00053967445334
                   +1 :               0.00009814969795
                3d
                   -2 :               0.00092752913329
                   -1 :               0.00002529592555
                   +0 :               0.00053393615862
                   +1 :              -0.00055422369135
                   +2 :               0.00013126623082
              7 vec=   -12.966938     -4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00016495785536
                2p
                   -1 :              -0.00008557178600
                   +0 :              -0.00003493877633
                   +1 :              -0.00010084991399
                3s
                   +0 :              -0.00044340171262
                4s
                   +0 :               0.00012567491756
                3p
                   -1 :               0.00011719950603
                   +0 :              -0.00000447487735
                   +1 :               0.00033160725275
                4p
                   -1 :              -0.00010949927658
                   +0 :               0.00004400184578
                   +1 :              -0.00006007012042
                3d
                   -2 :               0.00000032630539
                   -1 :              -0.00003103937741
                   +0 :               0.00005789001827
                   +1 :              -0.00006840609602
                   +2 :              -0.00010647982274
              8 vec=   -12.966938      4.491879     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00025732723603
                2p
                   -1 :               0.00006321520094
                   +0 :              -0.00002374936525
                   +1 :              -0.00002377678226
                3s
                   +0 :               0.00201354481832
                4s
                   +0 :              -0.00033956428241
                3p
                   -1 :              -0.00019573504040
                   +0 :               0.00038321387598
                   +1 :              -0.00016945503464
                4p
                   -1 :              -0.00009078614999
                   +0 :              -0.00009059498190
                   +1 :               0.00003647533503
                3d
                   -2 :               0.00002575399027
                   -1 :               0.00034153223600
                   +0 :               0.00020314680720
                   +1 :              -0.00017153108179
                   +2 :              -0.00037987739910
              9 vec=     2.593388    -13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00037925245510
                2p
                   -1 :              -0.00002423602782
                   +0 :              -0.00004671665935
                   +1 :               0.00007884032227
                3s
                   +0 :              -0.00354801871148
                4s
                   +0 :               0.00054940379795
                3p
                   -1 :               0.00059886349851
                   +0 :               0.00002629393402
                   +1 :              -0.00020157387600
                4p
                   -1 :              -0.00011602312740
                   +0 :              -0.00012491240178
                   +1 :               0.00005517297612
                3d
                   -2 :              -0.00003802800661
                   -1 :               0.00022687657761
                   +0 :              -0.00015913911357
                   +1 :               0.00025059283304
                   +2 :              -0.00005096055998
             10 vec=     2.593388     13.475637     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00026431958189
                2p
                   -1 :              -0.00009873122690
                   +0 :               0.00013832380110
                   +1 :               0.00011667680414
                3s
                   +0 :               0.00133794109817
                4s
                   +0 :              -0.00014464736763
                3p
                   -1 :               0.00045955708712
                   +0 :              -0.00098302227235
                   +1 :              -0.00027590207352
                4p
                   -1 :              -0.00001621508202
                   +0 :               0.00017720686845
                   +1 :               0.00019271681395
                3d
                   -2 :               0.00008214390443
                   -1 :              -0.00035744930704
                   +0 :               0.00009038804211
                   +1 :               0.00002376232397
                   +2 :              -0.00001976831644
             11 vec=    10.373550     -8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :               0.00009936172653
                2p
                   -1 :               0.00009623215746
                   +0 :              -0.00010338502477
                   +1 :               0.00001930985520
                3s
                   +0 :              -0.00089453938555
                4s
                   +0 :               0.00001897245007
                3p
                   -1 :              -0.00023774021300
                   +0 :               0.00098749714970
                   +1 :              -0.00026863777279
                4p
                   -1 :               0.00015606272761
                   +0 :              -0.00022120871422
                   +1 :              -0.00001446313550
                3d
                   -2 :              -0.00003385926234
                   -1 :              -0.00011442414909
                   +0 :              -0.00014827806037
                   +1 :               0.00026035740508
                   +2 :               0.00000773204966
             12 vec=    10.373550      8.983758     -3.160987   |vec|=   14.082269
                2s
                   +0 :              -0.00012192521907
                2p
                   -1 :              -0.00006937943283
                   +0 :               0.00007046602459
                   +1 :              -0.00004820321570
                3s
                   +0 :               0.00153447389316
                4s
                   +0 :              -0.00020983951554
                3p
                   -1 :               0.00022937996162
                   +0 :              -0.00040950780999
                   +1 :               0.00050262806519
                4p
                   -1 :              -0.00011959727087
                   +0 :               0.00021550738369
                   +1 :               0.00002396829203
                3d
                   -2 :               0.00027871333024
                   -1 :              -0.00008136562698
                   +0 :              -0.00004400769362
                   +1 :              -0.00005976383722
                   +2 :              -0.00016018214994
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al( 10)  npairs=  12
              1 vec=    -5.186775     -0.000000      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00048488157818
                2p
                   -1 :               0.00092696531777
                   +0 :              -0.00000838851287
                   +1 :               0.00108524269186
                3s
                   +0 :              -0.00584292439654
                4s
                   +0 :              -0.00289178123313
                3p
                   -1 :              -0.00227766727424
                   +0 :              -0.01204696883804
                   +1 :              -0.00101155225558
                4p
                   -1 :               0.00169721049919
                   +0 :              -0.00108096558636
                   +1 :               0.00381326439533
                3d
                   -2 :              -0.00072642719506
                   -1 :              -0.00431653456720
                   +0 :              -0.00439754018746
                   +1 :               0.00616833391970
                   +2 :              -0.00296723568833
              2 vec=     2.593388     -4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :              -0.00142135452739
                2p
                   -1 :               0.00041791375523
                   +0 :               0.00031218607856
                   +1 :               0.00114478159032
                3s
                   +0 :               0.02708506408648
                4s
                   +0 :               0.00312670608188
                3p
                   -1 :              -0.01595707159651
                   +0 :              -0.00013420310017
                   +1 :              -0.00841332112655
                4p
                   -1 :              -0.00249923271576
                   +0 :               0.00140022573333
                   +1 :               0.00250100075849
                3d
                   -2 :               0.00051307920122
                   -1 :               0.00023608730828
                   +0 :              -0.00200289709771
                   +1 :              -0.00192152054865
                   +2 :              -0.00592544933506
              3 vec=     2.593388      4.491879      4.091339   |vec|=    6.606186
                2s
                   +0 :               0.00093647294922
                2p
                   -1 :               0.00062087733792
                   +0 :              -0.00030379756568
                   +1 :               0.00067416055610
                3s
                   +0 :              -0.02124213968993
                4s
                   +0 :              -0.00023492484876
                3p
                   -1 :              -0.00270724956017
                   +0 :               0.01218117193820
                   +1 :              -0.01655914834279
                4p
                   -1 :               0.00073544253768
                   +0 :              -0.00031926014696
                   +1 :              -0.00047709385277
                3d
                   -2 :              -0.00266856216481
                   -1 :               0.00496579585305
                   +0 :               0.00640043728517
                   +1 :               0.00606609288352
                   +2 :              -0.00551978653903
              4 vec=    -5.186775     -8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00006840064832
                2p
                   -1 :              -0.00019571925909
                   +0 :               0.00014948393649
                   +1 :               0.00018186587403
                3s
                   +0 :               0.00184089756855
                4s
                   +0 :               0.00005819884873
                3p
                   -1 :               0.00024839388559
                   +0 :              -0.00097438435441
                   +1 :              -0.00020416781286
                4p
                   -1 :              -0.00014601708003
                   +0 :               0.00057533834794
                   +1 :               0.00038066302606
                3d
                   -2 :              -0.00025221544580
                   -1 :              -0.00006595985812
                   +0 :              -0.00023565130935
                   +1 :               0.00023511083387
                   +2 :               0.00049226227081
              5 vec=    -5.186775      8.983758      4.091339   |vec|=   11.151215
                2s
                   +0 :               0.00043484989110
                2p
                   -1 :              -0.00006753170894
                   +0 :               0.00013352543904
                   +1 :              -0.00013105338090
                3s
                   +0 :              -0.00256449176087
                4s
                   +0 :               0.00021149107112
                3p
                   -1 :               0.00086359451790
                   +0 :              -0.00115188898004
                   +1 :               0.00142377240102
                4p
                   -1 :              -0.00008530207789
                   +0 :              -0.00008384764899
                   +1 :              -0.00007904413444
                3d
                   -2 :              -0.00040197670069
                   -1 :               0.00001910070294
                   +0 :               0.00013900687519
                   +1 :               0.00020090811669
                   +2 :               0.00017075905409
              6 vec=    10.373550      0.000000      4.091339   |vec|=   11.151215
                2s
                   +0 :              -0.00036644924278
                2p
                   -1 :              -0.00040262150812
                   +0 :              -0.00028300937553
                   +1 :              -0.00008560742832
                3s
                   +0 :               0.00072359419232
                4s
                   +0 :              -0.00026968991986
                3p
                   -1 :               0.00196583178281
                   +0 :               0.00212627333445
                   +1 :               0.00007702291808
                4p
                   -1 :              -0.00051377765826
                   +0 :              -0.00049149069895
                   +1 :               0.00009822871156
                3d
                   -2 :              -0.00004866612016
                   -1 :              -0.00005304999954
                   +0 :               0.00009664443416
                   +1 :               0.00014434486855
                   +2 :               0.00020181361121
              7 vec=   -12.966938     -4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00027090728521
                2p
                   -1 :               0.00013535485784
                   +0 :              -0.00001199184833
                   +1 :               0.00001285359897
                3s
                   +0 :               0.00219077100371
                4s
                   +0 :              -0.00060669120872
                3p
                   -1 :              -0.00089931116323
                   +0 :              -0.00010151080079
                   +1 :              -0.00081824972332
                4p
                   -1 :               0.00020925385834
                   +0 :              -0.00007313023252
                   +1 :               0.00033080602191
                3d
                   -2 :              -0.00002037094352
                   -1 :               0.00017389757702
                   +0 :               0.00020254907747
                   +1 :               0.00008371962415
                   +2 :               0.00009424326087
              8 vec=   -12.966938      4.491879      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00026078821134
                2p
                   -1 :               0.00005348742950
                   +0 :              -0.00000877781017
                   +1 :              -0.00011474159357
                3s
                   +0 :              -0.00122921361660
                4s
                   +0 :               0.00011641728213
                3p
                   -1 :              -0.00039271791379
                   +0 :               0.00017533332471
                   +1 :               0.00079896249781
                4p
                   -1 :              -0.00001217420427
                   +0 :              -0.00011441910231
                   +1 :              -0.00010120161979
                3d
                   -2 :               0.00018187146901
                   -1 :              -0.00005433591383
                   +0 :               0.00008147415631
                   +1 :              -0.00005960775313
                   +2 :              -0.00008899846986
              9 vec=     2.593388    -13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00018508264639
                2p
                   -1 :               0.00005597171077
                   +0 :              -0.00003559613564
                   +1 :               0.00007211924091
                3s
                   +0 :               0.00063648975393
                4s
                   +0 :              -0.00014004778885
                3p
                   -1 :              -0.00033824356565
                   +0 :               0.00008696358704
                   +1 :              -0.00049333625360
                4p
                   -1 :               0.00006723827745
                   +0 :               0.00007113634550
                   +1 :               0.00004272373425
                3d
                   -2 :               0.00020709227263
                   -1 :              -0.00010858217528
                   +0 :               0.00012952688069
                   +1 :              -0.00011066811657
                   +2 :              -0.00000568397256
             10 vec=     2.593388     13.475637      4.091339   |vec|=   14.319829
                2s
                   +0 :               0.00039667361794
                2p
                   -1 :               0.00015387259153
                   +0 :               0.00001508771673
                   +1 :              -0.00010217983752
                3s
                   +0 :              -0.00287825830416
                4s
                   +0 :               0.00065661238099
                3p
                   -1 :              -0.00173809906041
                   +0 :               0.00015268911591
                   +1 :               0.00036096309328
                4p
                   -1 :               0.00040985215649
                   +0 :               0.00011384405659
                   +1 :              -0.00008630481776
                3d
                   -2 :              -0.00007976692931
                   -1 :               0.00006056850380
                   +0 :              -0.00011062535005
                   +1 :              -0.00015667667333
                   +2 :               0.00031384651487
             11 vec=    10.373550     -8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00012576633273
                2p
                   -1 :               0.00004499184640
                   +0 :              -0.00000309586841
                   +1 :              -0.00006069994708
                3s
                   +0 :               0.00068748730044
                4s
                   +0 :              -0.00004992117228
                3p
                   -1 :              -0.00029747685618
                   +0 :              -0.00005117831513
                   +1 :               0.00049776831233
                4p
                   -1 :              -0.00005167557592
                   +0 :              -0.00004071382407
                   +1 :              -0.00005147262008
                3d
                   -2 :              -0.00024025093313
                   -1 :              -0.00009095626018
                   +0 :              -0.00009192372743
                   +1 :               0.00006166733180
                   +2 :               0.00015260645529
             12 vec=    10.373550      8.983758      4.091339   |vec|=   14.319829
                2s
                   +0 :              -0.00007570556495
                2p
                   -1 :              -0.00010709665949
                   +0 :               0.00004437394581
                   +1 :              -0.00001915972564
                3s
                   +0 :               0.00059272386267
                4s
                   +0 :               0.00002363050672
                3p
                   -1 :               0.00075368280828
                   +0 :              -0.00026229691175
                   +1 :               0.00019998929144
                4p
                   -1 :              -0.00009711097625
                   +0 :               0.00004328275681
                   +1 :               0.00003953428378
                3d
                   -2 :               0.00026663434198
                   -1 :              -0.00003723947269
                   +0 :              -0.00021100103701
                   +1 :              -0.00013211657532
                   +2 :              -0.00006918307785
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al( 11)  npairs=  15
              1 vec=    -5.186775     -0.000000     -8.182432   |vec|=    9.687870
                2s
                   +0 :              -0.00112095747132
                2p
                   -1 :              -0.00061148837843
                   +0 :               0.00026643713485
                   +1 :               0.00041569108881
                3s
                   +0 :               0.00468546412971
                4s
                   +0 :              -0.00143060555846
                3p
                   -1 :              -0.00027218969664
                   +0 :              -0.00163193891438
                   +1 :               0.00105121727021
                4p
                   -1 :              -0.00052107921509
                   +0 :               0.00058054499153
                   +1 :               0.00023357376562
                3d
                   -2 :              -0.00028265159717
                   -1 :               0.00002241524160
                   +0 :              -0.00042032915805
                   +1 :              -0.00067700110600
                   +2 :              -0.00074677883309
              2 vec=     2.593388     -4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00082675657762
                2p
                   -1 :               0.00046147850032
                   +0 :               0.00031998134387
                   +1 :               0.00056011108086
                3s
                   +0 :              -0.00774207995736
                4s
                   +0 :               0.00027116340357
                3p
                   -1 :              -0.00702234078282
                   +0 :              -0.00077644984216
                   +1 :              -0.00721268589445
                4p
                   -1 :               0.00055973425146
                   +0 :               0.00059197563482
                   +1 :               0.00067967262781
                3d
                   -2 :              -0.00198944382548
                   -1 :               0.00179649171520
                   +0 :               0.00184389987462
                   +1 :               0.00077190893421
                   +2 :              -0.00061019619276
              3 vec=     2.593388      4.491879     -8.182432   |vec|=    9.687870
                2s
                   +0 :               0.00029420089370
                2p
                   -1 :              -0.00020007632099
                   +0 :              -0.00058641847872
                   +1 :               0.00141711765925
                3s
                   +0 :               0.00305661582765
                4s
                   +0 :               0.00115944215489
                3p
                   -1 :               0.00350948483528
                   +0 :               0.00240838875654
                   +1 :              -0.00892653663214
                4p
                   -1 :              -0.00036700542907
                   +0 :              -0.00117252062635
                   +1 :               0.00139263511550
                3d
                   -2 :              -0.00101776367509
                   -1 :              -0.00034533942422
                   +0 :              -0.00142357071657
                   +1 :               0.00158384920851
                   +2 :               0.00079963791578
              4 vec=    -5.186775     -8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00050708407179
                2p
                   -1 :               0.00043331001518
                   +0 :               0.00040732121521
                   +1 :              -0.00000021092455
                3s
                   +0 :              -0.00009092744319
                4s
                   +0 :              -0.00057881533940
                3p
                   -1 :              -0.00183917901621
                   +0 :              -0.00256106466720
                   +1 :               0.00008836430905
                4p
                   -1 :               0.00059547741788
                   +0 :               0.00063808602084
                   +1 :              -0.00004216244008
                3d
                   -2 :               0.00043422491791
                   -1 :               0.00038347751047
                   +0 :              -0.00039414929785
                   +1 :               0.00046317076266
                   +2 :              -0.00016334693235
              5 vec=    -5.186775      8.983758     -8.182432   |vec|=   13.212219
                2s
                   +0 :               0.00101628254199
                2p
                   -1 :               0.00028597961811
                   +0 :              -0.00047164783198
                   +1 :              -0.00049236070147
                3s
                   +0 :              -0.00303377779994
                4s
                   +0 :               0.00126515610735
                3p
                   -1 :              -0.00165470494011
                   +0 :               0.00247568760923
                   +1 :               0.00260792411349
                4p
                   -1 :               0.00040620776915
                   +0 :              -0.00065110766229
                   +1 :              -0.00060938231594
                3d
                   -2 :               0.00042193638720
                   -1 :               0.00059898692021
                   +0 :               0.00006393678212
                   +1 :              -0.00042153362769
                   +2 :               0.00022104929524
              6 vec=    10.373550      0.000000     -8.182432   |vec|=   13.212219
                2s
                   +0 :              -0.00050919847020
                2p
                   -1 :              -0.00006656939263
                   +0 :               0.00006432661676
                   +1 :              -0.00011869394640
                3s
                   +0 :               0.00312470524313
                4s
                   +0 :              -0.00068634076795
                3p
                   -1 :               0.00043506081884
                   +0 :               0.00008537705798
                   +1 :               0.00118838497503
                4p
                   -1 :               0.00000961577149
                   +0 :               0.00001302164144
                   +1 :              -0.00016186005404
                3d
                   -2 :               0.00009518375434
                   -1 :              -0.00027494426155
                   +0 :               0.00033021251573
                   +1 :              -0.00016581805611
                   +2 :               0.00001820900168
              7 vec=   -12.966938     -4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00003731886398
                2p
                   -1 :              -0.00001811018235
                   +0 :               0.00000656384699
                   +1 :               0.00002989992830
                3s
                   +0 :              -0.00036983327640
                4s
                   +0 :               0.00010785388568
                3p
                   -1 :               0.00003770661252
                   +0 :              -0.00001113511621
                   +1 :              -0.00004029912759
                4p
                   -1 :              -0.00002020736470
                   +0 :               0.00000486749878
                   +1 :              -0.00002459602108
                3d
                   -2 :               0.00002066912747
                   -1 :              -0.00003402649244
                   +0 :              -0.00004447566253
                   +1 :               0.00000402386501
                   +2 :              -0.00001717381008
              8 vec=   -12.966938      4.491879     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00018339383572
                2p
                   -1 :              -0.00002379745925
                   +0 :               0.00007819272777
                   +1 :               0.00008982637217
                3s
                   +0 :               0.00057710253373
                4s
                   +0 :              -0.00008936394928
                3p
                   -1 :              -0.00003350780482
                   +0 :              -0.00021702529062
                   +1 :              -0.00020661292898
                4p
                   -1 :               0.00002865255972
                   +0 :               0.00000022801369
                   +1 :               0.00005857843491
                3d
                   -2 :               0.00003457459626
                   -1 :               0.00000140628773
                   +0 :               0.00016235962672
                   +1 :               0.00004898034155
                   +2 :              -0.00004428750506
              9 vec=     2.593388    -13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00045453478394
                2p
                   -1 :              -0.00010846611997
                   +0 :              -0.00009998932288
                   +1 :               0.00001350809591
                3s
                   +0 :              -0.00256971654629
                4s
                   +0 :               0.00047019426464
                3p
                   -1 :               0.00044680187831
                   +0 :               0.00061550006532
                   +1 :               0.00005637404484
                4p
                   -1 :              -0.00005133542953
                   +0 :              -0.00003722428724
                   +1 :               0.00000281603473
                3d
                   -2 :               0.00004499810300
                   -1 :              -0.00012034878477
                   +0 :              -0.00024489800083
                   +1 :              -0.00002333284701
                   +2 :               0.00004064661501
             10 vec=     2.593388     13.475637     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00006746181238
                2p
                   -1 :              -0.00000757742005
                   +0 :               0.00000871141596
                   +1 :               0.00000132095269
                3s
                   +0 :               0.00099485304859
                4s
                   +0 :              -0.00031806515935
                3p
                   -1 :               0.00036478602822
                   +0 :              -0.00003037987786
                   +1 :               0.00013910533551
                4p
                   -1 :              -0.00015637090790
                   +0 :               0.00005330137101
                   +1 :              -0.00004677876511
                3d
                   -2 :               0.00006654478122
                   -1 :              -0.00000902125939
                   +0 :               0.00011757385338
                   +1 :               0.00011457628688
                   +2 :              -0.00003646125003
             11 vec=    10.373550     -8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :               0.00003014294840
                2p
                   -1 :              -0.00003759392009
                   +0 :              -0.00001527526295
                   +1 :               0.00000648880077
                3s
                   +0 :              -0.00062501977220
                4s
                   +0 :               0.00021021127366
                3p
                   -1 :               0.00035661514297
                   +0 :               0.00004151499407
                   +1 :              -0.00023385597909
                4p
                   -1 :              -0.00010749995615
                   +0 :              -0.00005816886979
                   +1 :               0.00008223369439
                3d
                   -2 :               0.00006031036730
                   -1 :               0.00007421732987
                   +0 :              -0.00007309819085
                   +1 :               0.00003764490890
                   +2 :               0.00001291195151
             12 vec=    10.373550      8.983758     -8.182432   |vec|=   15.977192
                2s
                   +0 :              -0.00027114094823
                2p
                   -1 :              -0.00000003822360
                   +0 :               0.00002179659512
                   +1 :              -0.00002165797704
                3s
                   +0 :               0.00199261401255
                4s
                   +0 :              -0.00038083031536
                3p
                   -1 :              -0.00002110636345
                   +0 :              -0.00039847477470
                   +1 :               0.00034084094521
                4p
                   -1 :               0.00003695022022
                   +0 :               0.00003699627356
                   +1 :              -0.00003857439587
                3d
                   -2 :               0.00011334145525
                   -1 :               0.00000315380980
                   +0 :               0.00008253837411
                   +1 :              -0.00009261923855
                   +2 :              -0.00001084746666
             13 vec=    -5.186775     -0.000000     16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00001590971949
                2p
                   -1 :               0.00000270604726
                   +0 :              -0.00005602513143
                   +1 :              -0.00000753834774
                3s
                   +0 :               0.00027359957268
                4s
                   +0 :              -0.00009259433235
                3p
                   -1 :              -0.00001861075579
                   +0 :               0.00043858132830
                   +1 :               0.00012762035998
                4p
                   -1 :               0.00002567705585
                   +0 :              -0.00011855001603
                   +1 :               0.00002426529049
                3d
                   -2 :              -0.00004771805862
                   -1 :              -0.00002706867723
                   +0 :               0.00010811764255
                   +1 :              -0.00000987456532
                   +2 :              -0.00001869939362
             14 vec=     2.593388     -4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :               0.00010290119206
                2p
                   -1 :              -0.00001505922960
                   +0 :               0.00001978448209
                   +1 :              -0.00005745593152
                3s
                   +0 :              -0.00016050433237
                4s
                   +0 :               0.00008322866377
                3p
                   -1 :               0.00020898008842
                   +0 :              -0.00014315145516
                   +1 :               0.00016498751803
                4p
                   -1 :              -0.00002835900698
                   +0 :               0.00002425266605
                   +1 :              -0.00004389353979
                3d
                   -2 :              -0.00001524038738
                   -1 :               0.00001700995390
                   +0 :              -0.00004866362368
                   +1 :               0.00004486420276
                   +2 :               0.00004057881852
             15 vec=     2.593388      4.491879     16.365110   |vec|=   17.167395
                2s
                   +0 :              -0.00008699147257
                2p
                   -1 :               0.00003705330448
                   +0 :               0.00003624064934
                   +1 :              -0.00004788232070
                3s
                   +0 :              -0.00011309524030
                4s
                   +0 :               0.00000936566858
                3p
                   -1 :               0.00006282375818
                   +0 :              -0.00029542987314
                   +1 :               0.00034340339176
                4p
                   -1 :               0.00005768630295
                   +0 :               0.00009429734998
                   +1 :              -0.00005661072778
                3d
                   -2 :               0.00001985721460
                   -1 :              -0.00005243452539
                   +0 :              -0.00005945401887
                   +1 :               0.00005566803304
                   +2 :              -0.00001718677590
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site Al( 12)  npairs=  15
              1 vec=    -5.186775     -0.000000      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00004998578189
                2p
                   -1 :              -0.00037915822119
                   +0 :               0.00007261146768
                   +1 :              -0.00053914849404
                3s
                   +0 :              -0.00493067684081
                4s
                   +0 :               0.00013477920270
                3p
                   -1 :               0.00485493649923
                   +0 :              -0.00432039146319
                   +1 :               0.00772090218382
                4p
                   -1 :              -0.00032156859438
                   +0 :               0.00029149223551
                   +1 :              -0.00149456572192
                3d
                   -2 :               0.00020786334020
                   -1 :               0.00083035040751
                   +0 :              -0.00120285273227
                   +1 :               0.00176338495628
                   +2 :              -0.00158211477535
              2 vec=     2.593388     -4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :              -0.00184251504292
                2p
                   -1 :               0.00055293190466
                   +0 :              -0.00032848748499
                   +1 :              -0.00027483986460
                3s
                   +0 :               0.01177021045547
                4s
                   +0 :              -0.00209308582082
                3p
                   -1 :              -0.00507547252233
                   +0 :               0.00377435580981
                   +1 :               0.00337009459164
                4p
                   -1 :               0.00105415208605
                   +0 :              -0.00028265337053
                   +1 :              -0.00040129387216
                3d
                   -2 :              -0.00109874863077
                   -1 :              -0.00081639228227
                   +0 :              -0.00071139316188
                   +1 :               0.00099823536249
                   +2 :               0.00059218425746
              3 vec=     2.593388      4.491879      9.112784   |vec|=   10.485489
                2s
                   +0 :               0.00179252926103
                2p
                   -1 :              -0.00014201114579
                   +0 :               0.00025587601731
                   +1 :               0.00040021954829
                3s
                   +0 :              -0.00683953361465
                4s
                   +0 :               0.00195830661812
                3p
                   -1 :               0.00365764189026
                   +0 :               0.00054603565338
                   +1 :              -0.00305448809491
                4p
                   -1 :              -0.00058050944930
                   +0 :              -0.00000883886499
                   +1 :               0.00024347926073
                3d
                   -2 :               0.00143755555256
                   -1 :               0.00066961804854
                   +0 :               0.00191424589415
                   +1 :              -0.00004531084346
                   +2 :               0.00063659390080
              4 vec=    -5.186775     -8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :              -0.00050888326506
                2p
                   -1 :               0.00008024372890
                   +0 :              -0.00008919901688
                   +1 :               0.00014190941628
                3s
                   +0 :               0.00254685818773
                4s
                   +0 :              -0.00053025577727
                3p
                   -1 :              -0.00055911459890
                   +0 :               0.00031698182566
                   +1 :              -0.00108253243876
                4p
                   -1 :               0.00010323931828
                   +0 :               0.00002129398083
                   +1 :               0.00023535470815
                3d
                   -2 :               0.00002238380372
                   -1 :              -0.00003546830724
                   +0 :               0.00018501520548
                   +1 :              -0.00017012183307
                   +2 :               0.00017498751312
              5 vec=    -5.186775      8.983758      9.112784   |vec|=   13.807729
                2s
                   +0 :               0.00025467878711
                2p
                   -1 :               0.00007984092686
                   +0 :              -0.00010362159018
                   +1 :               0.00003439889304
                3s
                   +0 :              -0.00224162800478
                4s
                   +0 :               0.00042648994269
                3p
                   -1 :              -0.00121113151465
                   +0 :               0.00089908401311
                   +1 :               0.00000879610893
                4p
                   -1 :               0.00027918402626
                   +0 :              -0.00023317427544
                   +1 :               0.00001122416304
                3d
                   -2 :              -0.00000454109128
                   -1 :               0.00003933920917
                   +0 :              -0.00017502462904
                   +1 :              -0.00005225532429
                   +2 :               0.00018356343283
              6 vec=    10.373550      0.000000      9.112784   |vec|=   13.807729
                2s
                   +0 :               0.00025420447795
                2p
                   -1 :              -0.00001306451642
                   +0 :               0.00019282060706
                   +1 :               0.00008850299146
                3s
                   +0 :              -0.00030523018295
                4s
                   +0 :               0.00010376583458
                3p
                   -1 :               0.00005999518940
                   +0 :              -0.00121606583876
                   +1 :               0.00002779504782
                4p
                   -1 :              -0.00000289107356
                   +0 :               0.00021188029461
                   +1 :              -0.00002908315118
                3d
                   -2 :               0.00000149439190
                   -1 :               0.00010401084182
                   +0 :              -0.00000999057644
                   +1 :              -0.00017597378828
                   +2 :               0.00015595782992
              7 vec=    -5.186775     -0.000000    -15.434758   |vec|=   16.282948
                2s
                   +0 :              -0.00002455648154
                2p
                   -1 :               0.00000840336138
                   +0 :               0.00001975362299
                   +1 :              -0.00001256071344
                3s
                   +0 :              -0.00007419281710
                4s
                   +0 :              -0.00006178350968
                3p
                   -1 :              -0.00009568644147
                   +0 :              -0.00004615527315
                   +1 :               0.00022699947653
                4p
                   -1 :              -0.00003509965486
                   +0 :               0.00000942709715
                   +1 :              -0.00002763159399
                3d
                   -2 :               0.00002035254408
                   -1 :               0.00006767452371
                   +0 :               0.00005115720201
                   +1 :               0.00000078736813
                   +2 :               0.00004325295116
              8 vec=     2.593388     -4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :               0.00002548593639
                2p
                   -1 :               0.00001409045615
                   +0 :              -0.00008553000449
                   +1 :              -0.00003774894785
                3s
                   +0 :              -0.00048899471091
                4s
                   +0 :               0.00016363650155
                3p
                   -1 :              -0.00045589360479
                   +0 :               0.00059826835199
                   +1 :               0.00018762074884
                4p
                   -1 :               0.00004243771677
                   +0 :              -0.00020597092412
                   +1 :              -0.00005612796128
                3d
                   -2 :              -0.00000988884888
                   -1 :               0.00004793109073
                   +0 :              -0.00008579898246
                   +1 :               0.00009348021868
                   +2 :              -0.00006092819143
              9 vec=     2.593388      4.491879    -15.434758   |vec|=   16.282948
                2s
                   +0 :              -0.00000092945484
                2p
                   -1 :               0.00003306055964
                   +0 :               0.00006577638150
                   +1 :              -0.00002022966211
                3s
                   +0 :               0.00056318752802
                4s
                   +0 :              -0.00010185299187
                3p
                   -1 :              -0.00024168704458
                   +0 :              -0.00055211307884
                   +1 :              -0.00010463844138
                4p
                   -1 :               0.00002834760894
                   +0 :               0.00019654382697
                   +1 :               0.00002526955594
                3d
                   -2 :              -0.00008499166848
                   -1 :              -0.00002247155610
                   +0 :               0.00003464178045
                   +1 :               0.00003003547888
                   +2 :               0.00001735219441
             10 vec=   -12.966938     -4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00002048702790
                2p
                   -1 :               0.00003332114462
                   +0 :              -0.00004095327720
                   +1 :               0.00001663578542
                3s
                   +0 :               0.00031659728848
                4s
                   +0 :               0.00001586125206
                3p
                   -1 :              -0.00012074752554
                   +0 :               0.00018336656775
                   +1 :               0.00009768221960
                4p
                   -1 :              -0.00000961850453
                   +0 :              -0.00001392680842
                   +1 :              -0.00000042726709
                3d
                   -2 :              -0.00004308621886
                   -1 :              -0.00005422555616
                   +0 :               0.00010810056440
                   +1 :              -0.00004183382503
                   +2 :              -0.00005527641195
             11 vec=   -12.966938      4.491879      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00004790602453
                2p
                   -1 :              -0.00003698250639
                   +0 :               0.00002870010457
                   +1 :              -0.00006532098370
                3s
                   +0 :               0.00024232651415
                4s
                   +0 :               0.00004260858536
                3p
                   -1 :               0.00020187933294
                   +0 :              -0.00018244050159
                   +1 :               0.00005801031451
                4p
                   -1 :              -0.00001623469168
                   +0 :               0.00003868027911
                   +1 :              -0.00005212746917
                3d
                   -2 :               0.00001340117927
                   -1 :               0.00001791961176
                   +0 :               0.00005592388081
                   +1 :               0.00003448063276
                   +2 :               0.00000276288934
             12 vec=     2.593388    -13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00004533737116
                2p
                   -1 :              -0.00003284802738
                   +0 :              -0.00004226852890
                   +1 :              -0.00001840094333
                3s
                   +0 :               0.00024530789199
                4s
                   +0 :              -0.00006734324723
                3p
                   -1 :               0.00006759935987
                   +0 :               0.00000891912564
                   +1 :              -0.00020875254911
                4p
                   -1 :              -0.00002523824924
                   +0 :              -0.00000746040297
                   +1 :               0.00004372183469
                3d
                   -2 :               0.00004076583927
                   -1 :               0.00002135484714
                   +0 :               0.00005191988406
                   +1 :              -0.00003149678343
                   +2 :              -0.00000328271345
             13 vec=     2.593388     13.475637      9.112784   |vec|=   16.473047
                2s
                   +0 :               0.00011026205156
                2p
                   -1 :               0.00004444704569
                   +0 :               0.00005005705141
                   +1 :               0.00001962278624
                3s
                   +0 :              -0.00117787644373
                4s
                   +0 :               0.00020316008900
                3p
                   -1 :              -0.00019447764413
                   +0 :              -0.00036446705760
                   +1 :               0.00000248480494
                4p
                   -1 :               0.00005846661752
                   +0 :               0.00005495435170
                   +1 :               0.00008815091095
                3d
                   -2 :              -0.00002843907246
                   -1 :              -0.00010301989844
                   +0 :              -0.00016411923129
                   +1 :              -0.00000328250300
                   +2 :              -0.00003594511668
             14 vec=    10.373550     -8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00008977502365
                2p
                   -1 :               0.00004147091374
                   +0 :              -0.00000910377421
                   +1 :               0.00000849397286
                3s
                   +0 :               0.00086127915525
                4s
                   +0 :              -0.00021902134106
                3p
                   -1 :              -0.00024005596431
                   +0 :               0.00018110048985
                   +1 :               0.00011393566800
                4p
                   -1 :               0.00010113500889
                   +0 :              -0.00004102754328
                   +1 :              -0.00001510162338
                3d
                   -2 :              -0.00005250403846
                   -1 :              -0.00004523630307
                   +0 :               0.00005601866689
                   +1 :               0.00001969897596
                   +2 :              -0.00003292596344
             15 vec=    10.373550      8.983758      9.112784   |vec|=   16.473047
                2s
                   +0 :              -0.00000256865337
                2p
                   -1 :              -0.00007554921379
                   +0 :               0.00001356842433
                   +1 :              -0.00003828039967
                3s
                   +0 :              -0.00048763440613
                4s
                   +0 :               0.00002473466187
                3p
                   -1 :               0.00036576276309
                   +0 :               0.00017352137596
                   +1 :              -0.00019166098520
                4p
                   -1 :              -0.00010374440254
                   +0 :              -0.00003121987613
                   +1 :              -0.00001200012682
                3d
                   -2 :               0.00002184786367
                   -1 :               0.00007677534794
                   +0 :              -0.00010784376487
                   +1 :               0.00000446692578
                   +2 :              -0.00002395840278
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 13)  npairs=  14
              1 vec=     2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :              -0.00543799488472
                2s
                   +0 :               0.06361518448924
                3s
                   +0 :              -0.01014548573202
                2p
                   -1 :              -0.01411112423555
                   +0 :               0.01134953833722
                   +1 :              -0.00047051824190
                3p
                   -1 :               0.00296483745723
                   +0 :              -0.00158739216218
                   +1 :              -0.00750869364353
                3d
                   -2 :              -0.00315428642985
                   -1 :              -0.00526111729421
                   +0 :               0.00393311953981
                   +1 :               0.00045420214620
                   +2 :              -0.00405885103567
              2 vec=    -5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :              -0.00040334027125
                2s
                   +0 :               0.00248965624946
                3s
                   +0 :              -0.00240000074542
                2p
                   -1 :              -0.00121952098551
                   +0 :               0.00165839437121
                   +1 :              -0.00087351767770
                3p
                   -1 :              -0.00070746651253
                   +0 :              -0.00060940218033
                   +1 :               0.00038868280388
                3d
                   -2 :              -0.00003544650056
                   -1 :              -0.00028205323214
                   +0 :              -0.00030322177142
                   +1 :              -0.00022071872717
                   +2 :               0.00032218517707
              3 vec=    -5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00045772156299
                2s
                   +0 :               0.00428906981581
                3s
                   +0 :              -0.00002405414821
                2p
                   -1 :              -0.00460421062830
                   +0 :              -0.00141852760449
                   +1 :              -0.00710924873415
                3p
                   -1 :               0.00073350828096
                   +0 :              -0.00098479174302
                   +1 :               0.00237185032878
                3d
                   -2 :               0.00031125093657
                   -1 :               0.00001206873809
                   +0 :              -0.00010502021276
                   +1 :               0.00009584811775
                   +2 :               0.00007550874319
              4 vec=     2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00023980588027
                2s
                   +0 :              -0.00282457638521
                3s
                   +0 :              -0.00046481023544
                2p
                   -1 :              -0.00331621096653
                   +0 :               0.00288917170682
                   +1 :               0.00015451615169
                3p
                   -1 :               0.00037595770086
                   +0 :               0.00094722719563
                   +1 :              -0.00117869951364
                3d
                   -2 :              -0.00040976474332
                   -1 :               0.00043223766710
                   +0 :               0.00033615642216
                   +1 :               0.00010444315787
                   +2 :               0.00009562161750
              5 vec=     2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00004520474739
                2s
                   +0 :              -0.00055489931621
                3s
                   +0 :               0.00028296478733
                2p
                   -1 :               0.00031251889090
                   +0 :              -0.00048948430536
                   +1 :              -0.00074304661654
                3p
                   -1 :              -0.00061326997081
                   +0 :              -0.00032824590344
                   +1 :               0.00084628174656
                3d
                   -2 :              -0.00009118415238
                   -1 :               0.00007639936528
                   +0 :              -0.00006802675423
                   +1 :               0.00004308193675
                   +2 :              -0.00003676020368
              6 vec=    10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00014255747256
                2s
                   +0 :               0.00147492297782
                3s
                   +0 :              -0.00033013265912
                2p
                   -1 :              -0.00024902408108
                   +0 :              -0.00003856177947
                   +1 :               0.00100118061664
                3p
                   -1 :               0.00072020581764
                   +0 :               0.00021432572382
                   +1 :              -0.00067945300429
                3d
                   -2 :               0.00011686056944
                   -1 :               0.00011722435098
                   +0 :               0.00002339172960
                   +1 :              -0.00002739910582
                   +2 :              -0.00001664418831
              7 vec=    10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :              -0.00013424708104
                2s
                   +0 :               0.00121245155358
                3s
                   +0 :              -0.00032120316387
                2p
                   -1 :               0.00021885636971
                   +0 :              -0.00014019184008
                   +1 :               0.00047560917506
                3p
                   -1 :              -0.00002587789478
                   +0 :               0.00010310334725
                   +1 :              -0.00024923436524
                3d
                   -2 :               0.00004966695229
                   -1 :              -0.00000729059833
                   +0 :              -0.00006779788720
                   +1 :              -0.00003878589453
                   +2 :              -0.00001576138841
              8 vec=   -13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00002627983725
                2s
                   +0 :               0.00053087760638
                3s
                   +0 :              -0.00000372500316
                2p
                   -1 :               0.00077505880405
                   +0 :              -0.00045422036729
                   +1 :              -0.00014171892343
                3p
                   -1 :              -0.00055839634057
                   +0 :               0.00027293863117
                   +1 :              -0.00006194363462
                3d
                   -2 :               0.00003786967522
                   -1 :               0.00001563632354
                   +0 :              -0.00000262783124
                   +1 :              -0.00001936584750
                   +2 :               0.00000601702261
              9 vec=    -5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00018308372981
                2s
                   +0 :              -0.00174149092538
                3s
                   +0 :               0.00042956871589
                2p
                   -1 :              -0.00076337207920
                   +0 :               0.00068253012946
                   +1 :               0.00090260517176
                3p
                   -1 :               0.00037523311743
                   +0 :               0.00003002981815
                   +1 :              -0.00014851666685
                3d
                   -2 :               0.00003705945839
                   -1 :              -0.00000830349605
                   +0 :               0.00002829554418
                   +1 :               0.00001737003591
                   +2 :               0.00000626505469
             10 vec=   -13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00002365264772
                2s
                   +0 :               0.00014402591710
                3s
                   +0 :              -0.00004618973196
                2p
                   -1 :              -0.00009345506408
                   +0 :               0.00011557796684
                   +1 :               0.00022127071918
                3p
                   -1 :               0.00008880172625
                   +0 :               0.00002424234829
                   +1 :              -0.00014728724295
                3d
                   -2 :              -0.00000946754704
                   -1 :               0.00000491792071
                   +0 :               0.00001482370104
                   +1 :              -0.00000160167507
                   +2 :              -0.00000004030137
             11 vec=    -5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00003642740232
                2s
                   +0 :              -0.00044989541424
                3s
                   +0 :              -0.00001545864522
                2p
                   -1 :               0.00006981614736
                   +0 :              -0.00031694115999
                   +1 :               0.00010022716962
                3p
                   -1 :              -0.00007118129685
                   +0 :              -0.00006400844139
                   +1 :               0.00002545002119
                3d
                   -2 :              -0.00002603483408
                   -1 :               0.00001437925436
                   +0 :              -0.00002015799951
                   +1 :              -0.00000082879015
                   +2 :               0.00001217901481
             12 vec=    10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00000598040870
                2s
                   +0 :               0.00010695462540
                3s
                   +0 :               0.00003827845004
                2p
                   -1 :              -0.00010620202944
                   +0 :               0.00040203264514
                   +1 :              -0.00017921091840
                3p
                   -1 :               0.00018532105691
                   +0 :              -0.00007483731166
                   +1 :               0.00004848361659
                3d
                   -2 :               0.00000721026835
                   -1 :               0.00000448270640
                   +0 :               0.00001999296014
                   +1 :               0.00001759307231
                   +2 :              -0.00001204653079
             13 vec=   -13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00002816031623
                2s
                   +0 :              -0.00026066905826
                3s
                   +0 :               0.00004632278206
                2p
                   -1 :              -0.00003446432441
                   +0 :              -0.00023198059816
                   +1 :               0.00027165056982
                3p
                   -1 :               0.00010437722362
                   +0 :               0.00007714155922
                   +1 :              -0.00014013169133
                3d
                   -2 :              -0.00000886084871
                   -1 :              -0.00000336500816
                   +0 :               0.00000211326619
                   +1 :              -0.00000700460965
                   +2 :               0.00001259328243
             14 vec=     2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00001741376266
                2s
                   +0 :              -0.00025036002634
                3s
                   +0 :               0.00006877968106
                2p
                   -1 :              -0.00015553815675
                   +0 :               0.00009203267168
                   +1 :               0.00010967215166
                3p
                   -1 :               0.00005944236904
                   +0 :               0.00013284112753
                   +1 :               0.00000538175061
                3d
                   -2 :               0.00000215863176
                   -1 :               0.00000655043012
                   +0 :              -0.00000258776693
                   +1 :               0.00000524062219
                   +2 :              -0.00000445008484
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 14)  npairs=  14
              1 vec=    -2.383842     -1.376312      2.510723   |vec|=    3.725676
                1s
                   +0 :              -0.00377180545317
                2s
                   +0 :               0.04683520025702
                3s
                   +0 :              -0.00303745562828
                2p
                   -1 :              -0.01243103696736
                   +0 :               0.01925603205915
                   +1 :              -0.00142329819280
                3p
                   -1 :               0.00103851896176
                   +0 :              -0.00678176766080
                   +1 :               0.01040720052871
                3d
                   -2 :               0.00320966767577
                   -1 :              -0.00610361290405
                   +0 :               0.00483294706993
                   +1 :              -0.00017887659951
                   +2 :              -0.00364325806770
              2 vec=     5.396321      3.115567      2.510723   |vec|=    6.717944
                1s
                   +0 :              -0.00014341828139
                2s
                   +0 :               0.00036606898626
                3s
                   +0 :              -0.00051125455290
                2p
                   -1 :              -0.00295607938905
                   +0 :               0.00085075391384
                   +1 :               0.00082874768918
                3p
                   -1 :               0.00047098001375
                   +0 :               0.00199586923636
                   +1 :              -0.00068461878753
                3d
                   -2 :              -0.00034429342927
                   -1 :              -0.00031882275047
                   +0 :               0.00017095361559
                   +1 :               0.00001029991457
                   +2 :               0.00027368385290
              3 vec=    -2.383842      7.607446      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00004899310107
                2s
                   +0 :              -0.00018148389941
                3s
                   +0 :              -0.00182054072350
                2p
                   -1 :              -0.00111009044725
                   +0 :               0.00299189030676
                   +1 :              -0.00052004774628
                3p
                   -1 :              -0.00112920144675
                   +0 :              -0.00016416044721
                   +1 :               0.00147494004630
                3d
                   -2 :               0.00027504623135
                   -1 :               0.00024304459453
                   +0 :               0.00001327540861
                   +1 :              -0.00004174194449
                   +2 :               0.00021138496690
              4 vec=     5.396321     -5.868191      2.510723   |vec|=    8.358210
                1s
                   +0 :              -0.00054012144558
                2s
                   +0 :               0.00547906398332
                3s
                   +0 :              -0.00033440708084
                2p
                   -1 :              -0.00422575791950
                   +0 :              -0.00480021333710
                   +1 :               0.00482255593613
                3p
                   -1 :               0.00069117565760
                   +0 :               0.00245951086891
                   +1 :              -0.00037987421945
                3d
                   -2 :              -0.00033107041530
                   -1 :               0.00003031511337
                   +0 :              -0.00029158448566
                   +1 :               0.00005781075925
                   +2 :              -0.00003177959485
              5 vec=   -10.164004      3.115567      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00002367100721
                2s
                   +0 :              -0.00009641526333
                3s
                   +0 :              -0.00033955695502
                2p
                   -1 :               0.00019727535767
                   +0 :               0.00006725616669
                   +1 :              -0.00052900218062
                3p
                   -1 :              -0.00018572074325
                   +0 :              -0.00036048127419
                   +1 :               0.00074312817655
                3d
                   -2 :               0.00000840842776
                   -1 :              -0.00006571816658
                   +0 :              -0.00005450069150
                   +1 :               0.00009057980101
                   +2 :              -0.00010275701393
              6 vec=    -2.383842    -10.360070      2.510723   |vec|=   10.923254
                1s
                   +0 :               0.00015573067747
                2s
                   +0 :              -0.00157542539280
                3s
                   +0 :               0.00023371376781
                2p
                   -1 :               0.00084986336840
                   +0 :              -0.00062213495797
                   +1 :               0.00112749206216
                3p
                   -1 :              -0.00044710606797
                   +0 :              -0.00093930755021
                   +1 :              -0.00146907526485
                3d
                   -2 :               0.00014266184212
                   -1 :               0.00017352033774
                   +0 :              -0.00018260028987
                   +1 :              -0.00014433767117
                   +2 :               0.00007225812670
              7 vec=   -10.164004     -5.868191      2.510723   |vec|=   12.001932
                1s
                   +0 :              -0.00004466832741
                2s
                   +0 :               0.00046603376910
                3s
                   +0 :              -0.00027289278625
                2p
                   -1 :               0.00058860918396
                   +0 :               0.00128384100512
                   +1 :               0.00021497434148
                3p
                   -1 :              -0.00016654093513
                   +0 :              -0.00101013964851
                   +1 :              -0.00036812787666
                3d
                   -2 :              -0.00014870617832
                   -1 :               0.00009057265056
                   +0 :              -0.00004338495396
                   +1 :               0.00022874068989
                   +2 :               0.00003341824878
              8 vec=     5.396321     12.099325      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00016463414731
                2s
                   +0 :              -0.00172557778400
                3s
                   +0 :               0.00028657820757
                2p
                   -1 :              -0.00063464308622
                   +0 :               0.00089738277563
                   +1 :              -0.00125048039835
                3p
                   -1 :              -0.00005455699337
                   +0 :              -0.00018567746373
                   +1 :               0.00035687628454
                3d
                   -2 :              -0.00005558705350
                   -1 :              -0.00001323780660
                   +0 :               0.00002332031965
                   +1 :              -0.00005912922144
                   +2 :               0.00003767477756
              9 vec=    13.176483     -1.376312      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00020296334315
                2s
                   +0 :               0.00155367358006
                3s
                   +0 :              -0.00044068240072
                2p
                   -1 :               0.00000344797506
                   +0 :              -0.00010798733447
                   +1 :               0.00044635254120
                3p
                   -1 :              -0.00004053578607
                   +0 :               0.00016969692337
                   +1 :              -0.00036687303167
                3d
                   -2 :              -0.00004139243199
                   -1 :              -0.00001462569887
                   +0 :               0.00004750962163
                   +1 :               0.00003491650133
                   +2 :              -0.00005914234508
             10 vec=    13.176483      7.607446      2.510723   |vec|=   15.420658
                1s
                   +0 :              -0.00006295907719
                2s
                   +0 :               0.00057784114460
                3s
                   +0 :              -0.00012317189858
                2p
                   -1 :               0.00024336987730
                   +0 :               0.00007799067443
                   +1 :              -0.00005174256625
                3p
                   -1 :              -0.00009648546979
                   +0 :               0.00001491259717
                   +1 :               0.00007441816840
                3d
                   -2 :              -0.00001351785250
                   -1 :              -0.00000724694789
                   +0 :               0.00000266459444
                   +1 :              -0.00000136670385
                   +2 :              -0.00001308843690
             11 vec=   -10.164004     12.099325      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00001345272154
                2s
                   +0 :              -0.00011716205377
                3s
                   +0 :               0.00007140889357
                2p
                   -1 :              -0.00004611797183
                   +0 :               0.00022712817136
                   +1 :               0.00006682612040
                3p
                   -1 :               0.00000216794094
                   +0 :               0.00003416650052
                   +1 :               0.00005588077189
                3d
                   -2 :              -0.00000702502956
                   -1 :               0.00000515138082
                   +0 :               0.00002071982487
                   +1 :              -0.00000985425582
                   +2 :              -0.00000253368445
             12 vec=     5.396321    -14.851949      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00000620869054
                2s
                   +0 :               0.00002720955378
                3s
                   +0 :              -0.00005236493655
                2p
                   -1 :              -0.00030327589030
                   +0 :              -0.00043700691863
                   +1 :               0.00005832424686
                3p
                   -1 :               0.00016894017472
                   +0 :               0.00009908915775
                   +1 :              -0.00010549845516
                3d
                   -2 :               0.00000930216814
                   -1 :               0.00000355189070
                   +0 :              -0.00001886675689
                   +1 :              -0.00000405068082
                   +2 :              -0.00000832202129
             13 vec=    -2.383842     16.591204      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00000573916729
                2s
                   +0 :              -0.00002539541766
                3s
                   +0 :              -0.00002812777931
                2p
                   -1 :               0.00009619216129
                   +0 :               0.00031047280463
                   +1 :               0.00001099668575
                3p
                   -1 :              -0.00009893766603
                   +0 :              -0.00011079337172
                   +1 :              -0.00008910837004
                3d
                   -2 :              -0.00001195730579
                   -1 :              -0.00000551030709
                   +0 :              -0.00000366654938
                   +1 :              -0.00000322621857
                   +2 :               0.00000067936928
             14 vec=    13.176483    -10.360070      2.510723   |vec|=   16.948584
                1s
                   +0 :               0.00000416935270
                2s
                   +0 :               0.00003250700667
                3s
                   +0 :               0.00001900163130
                2p
                   -1 :               0.00000244772970
                   +0 :              -0.00006515739928
                   +1 :              -0.00000004750083
                3p
                   -1 :               0.00002837286186
                   +0 :              -0.00004067086258
                   +1 :              -0.00000682214805
                3d
                   -2 :               0.00000322073673
                   -1 :               0.00000463352795
                   +0 :              -0.00000191211471
                   +1 :              -0.00000001128732
                   +2 :               0.00000196560415
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 15)  npairs=  14
              1 vec=     0.000000      2.752623      2.510723   |vec|=    3.725676
                1s
                   +0 :               0.00920980033790
                2s
                   +0 :              -0.11045038474626
                3s
                   +0 :               0.01318294136030
                2p
                   -1 :              -0.01409621224315
                   +0 :              -0.03060557039638
                   +1 :              -0.00240190647218
                3p
                   -1 :               0.01751729769417
                   +0 :               0.00836915982298
                   +1 :               0.00311749419545
                3d
                   -2 :              -0.00033222344493
                   -1 :              -0.00623062737551
                   +0 :              -0.00876606660974
                   +1 :               0.00086728537405
                   +2 :               0.00166029137230
              2 vec=     0.000000     -6.231135      2.510723   |vec|=    6.717944
                1s
                   +0 :               0.00054675855264
                2s
                   +0 :              -0.00285572523572
                3s
                   +0 :               0.00291125529832
                2p
                   -1 :              -0.00061359513558
                   +0 :              -0.00250914828506
                   +1 :               0.00148151869836
                3p
                   -1 :              -0.00104774969348
                   +0 :              -0.00138646705603
                   +1 :              -0.00116853262058
                3d
                   -2 :              -0.00014786658606
                   -1 :              -0.00010036997881
                   +0 :               0.00013226815583
                   +1 :              -0.00007336606934
                   +2 :               0.00003046522885
              3 vec=    -7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00030031556531
                2s
                   +0 :              -0.00265448759811
                3s
                   +0 :               0.00079921731628
                2p
                   -1 :               0.00027165659618
                   +0 :               0.00191104163028
                   +1 :               0.00327622681112
                3p
                   -1 :               0.00122536967719
                   +0 :              -0.00340673806454
                   +1 :              -0.00105227362481
                3d
                   -2 :              -0.00026008489294
                   -1 :               0.00019089154838
                   +0 :              -0.00004457193650
                   +1 :               0.00042920210045
                   +2 :               0.00010007229853
              4 vec=     7.780163     -1.739256      2.510723   |vec|=    8.358210
                1s
                   +0 :               0.00040872846191
                2s
                   +0 :              -0.00410758591640
                3s
                   +0 :               0.00184459487170
                2p
                   -1 :               0.00284926490836
                   +0 :              -0.00157336270228
                   +1 :              -0.00684064508088
                3p
                   -1 :              -0.00097459367244
                   +0 :               0.00114895219023
                   +1 :               0.00353654913162
                3d
                   -2 :               0.00017547632246
                   -1 :               0.00000840017710
                   +0 :               0.00009174480415
                   +1 :              -0.00017297787270
                   +2 :               0.00011209266058
              5 vec=    -7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00001317320491
                2s
                   +0 :               0.00010050241498
                3s
                   +0 :               0.00009641889131
                2p
                   -1 :               0.00040980856427
                   +0 :               0.00066069673744
                   +1 :               0.00011267189226
                3p
                   -1 :              -0.00054728306220
                   +0 :               0.00072498182639
                   +1 :              -0.00006334238749
                3d
                   -2 :               0.00005276954253
                   -1 :               0.00004410057609
                   +0 :               0.00015920856026
                   +1 :              -0.00013462214316
                   +2 :               0.00005015152679
              6 vec=     7.780163      7.244502      2.510723   |vec|=   10.923254
                1s
                   +0 :              -0.00002153374018
                2s
                   +0 :               0.00065131457955
                3s
                   +0 :               0.00005659216769
                2p
                   -1 :               0.00044026504333
                   +0 :               0.00042222813867
                   +1 :              -0.00053622057118
                3p
                   -1 :              -0.00048882896915
                   +0 :               0.00068872717763
                   +1 :               0.00042443646912
                3d
                   -2 :               0.00001576705194
                   -1 :               0.00004647495642
                   +0 :               0.00012252744573
                   +1 :               0.00018990826179
                   +2 :               0.00001649109562
              7 vec=     0.000000     11.736381      2.510723   |vec|=   12.001932
                1s
                   +0 :               0.00017891540845
                2s
                   +0 :              -0.00167848532268
                3s
                   +0 :               0.00059409595012
                2p
                   -1 :               0.00017801638984
                   +0 :              -0.00114364916504
                   +1 :               0.00002507642801
                3p
                   -1 :              -0.00019917421618
                   +0 :               0.00090703630126
                   +1 :              -0.00018686335463
                3d
                   -2 :              -0.00009211042817
                   -1 :               0.00027332584441
                   +0 :               0.00011118284116
                   +1 :               0.00001022533804
                   +2 :              -0.00016296774035
              8 vec=    -7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :               0.00001987961334
                2s
                   +0 :               0.00018781734532
                3s
                   +0 :               0.00001111368483
                2p
                   -1 :              -0.00077508842067
                   +0 :              -0.00057454279499
                   +1 :               0.00001039320936
                3p
                   -1 :              -0.00002175349333
                   +0 :              -0.00019972674152
                   +1 :               0.00010237158327
                3d
                   -2 :               0.00005447798300
                   -1 :               0.00000373108734
                   +0 :              -0.00007580516580
                   +1 :               0.00003161845687
                   +2 :              -0.00009437997524
              9 vec=     7.780163    -10.723014      2.510723   |vec|=   13.483979
                1s
                   +0 :              -0.00013835431006
                2s
                   +0 :               0.00119470017762
                3s
                   +0 :              -0.00028285320441
                2p
                   -1 :              -0.00089000774510
                   +0 :              -0.00044316240834
                   +1 :               0.00052473798785
                3p
                   -1 :               0.00005623202263
                   +0 :              -0.00008726116744
                   +1 :              -0.00028887134914
                3d
                   -2 :              -0.00003627510915
                   -1 :              -0.00003323683350
                   +0 :              -0.00002069248842
                   +1 :              -0.00001424180426
                   +2 :              -0.00005909000114
             10 vec=     0.000000    -15.214893      2.510723   |vec|=   15.420658
                1s
                   +0 :               0.00008661172491
                2s
                   +0 :              -0.00072186706170
                3s
                   +0 :               0.00016936163054
                2p
                   -1 :              -0.00016147903414
                   +0 :              -0.00019356864127
                   +1 :              -0.00020693487939
                3p
                   -1 :               0.00018816064663
                   +0 :              -0.00003915494547
                   +1 :               0.00012402888149
                3d
                   -2 :              -0.00000019268293
                   -1 :              -0.00000096102254
                   +0 :              -0.00001748829548
                   +1 :               0.00000905089579
                   +2 :              -0.00001007203656
             11 vec=   -15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :               0.00001218909924
                2s
                   +0 :              -0.00013416417918
                3s
                   +0 :               0.00001408648651
                2p
                   -1 :               0.00000097252754
                   +0 :               0.00003497427349
                   +1 :               0.00011022763416
                3p
                   -1 :               0.00004377822995
                   +0 :              -0.00002425184609
                   +1 :              -0.00001432115917
                3d
                   -2 :               0.00000503069840
                   -1 :              -0.00001472674149
                   +0 :              -0.00000112620325
                   +1 :               0.00000757730579
                   +2 :              -0.00000837263767
             12 vec=    15.560325      2.752623      2.510723   |vec|=   16.000137
                1s
                   +0 :              -0.00004988012386
                2s
                   +0 :               0.00056705746801
                3s
                   +0 :              -0.00005595024835
                2p
                   -1 :              -0.00001707706937
                   +0 :               0.00008981298863
                   +1 :               0.00018392853740
                3p
                   -1 :              -0.00000815287479
                   +0 :               0.00002984194088
                   +1 :              -0.00002285690673
                3d
                   -2 :              -0.00000378836050
                   -1 :               0.00000194903505
                   +0 :              -0.00000056182536
                   +1 :               0.00000265004992
                   +2 :               0.00002128563881
             13 vec=   -15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00002158311536
                2s
                   +0 :               0.00021785301968
                3s
                   +0 :              -0.00008778131236
                2p
                   -1 :              -0.00017156521988
                   +0 :              -0.00002687527240
                   +1 :              -0.00008200746569
                3p
                   -1 :               0.00003333872918
                   +0 :              -0.00009217026495
                   +1 :               0.00002618678378
                3d
                   -2 :              -0.00000286646540
                   -1 :               0.00000104369198
                   +0 :               0.00000449988164
                   +1 :               0.00000427475342
                   +2 :              -0.00000032243046
             14 vec=    15.560325     -6.231135      2.510723   |vec|=   16.948584
                1s
                   +0 :              -0.00002242114894
                2s
                   +0 :               0.00028606447592
                3s
                   +0 :              -0.00001819500275
                2p
                   -1 :              -0.00019486896676
                   +0 :              -0.00007849220647
                   +1 :               0.00002817179199
                3p
                   -1 :               0.00004690727121
                   +0 :               0.00003365181251
                   +1 :               0.00006145582872
                3d
                   -2 :              -0.00000009132580
                   -1 :              -0.00000116547497
                   +0 :               0.00000155328319
                   +1 :              -0.00000325753073
                   +2 :               0.00000395471535
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 16)  npairs=  13
              1 vec=    -2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :              -0.00024621785302
                2s
                   +0 :               0.00149455302222
                3s
                   +0 :              -0.00091551459446
                2p
                   -1 :              -0.00043720117721
                   +0 :              -0.00088445076095
                   +1 :              -0.00067972365497
                3p
                   -1 :              -0.00064558633350
                   +0 :               0.00066126636078
                   +1 :               0.00054251704060
                3d
                   -2 :              -0.00005319192757
                   -1 :               0.00009749197314
                   +0 :              -0.00013983506619
                   +1 :              -0.00003693141517
                   +2 :               0.00007516824435
              2 vec=     5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :              -0.00002377032984
                2s
                   +0 :               0.00000670788034
                3s
                   +0 :              -0.00004933683789
                2p
                   -1 :              -0.00088559203352
                   +0 :              -0.00076136809386
                   +1 :               0.00022904315053
                3p
                   -1 :               0.00004327140826
                   +0 :               0.00065313566421
                   +1 :              -0.00059095438689
                3d
                   -2 :               0.00002761074832
                   -1 :               0.00000577869411
                   +0 :              -0.00002280253196
                   +1 :               0.00004006269065
                   +2 :               0.00004064333021
              3 vec=    -2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00042260320649
                2s
                   +0 :              -0.00531231882839
                3s
                   +0 :               0.00025055436223
                2p
                   -1 :               0.00051124373452
                   +0 :               0.00206211771517
                   +1 :               0.00285029114761
                3p
                   -1 :               0.00003397199987
                   +0 :               0.00041941505822
                   +1 :              -0.00052986110039
                3d
                   -2 :              -0.00014456036454
                   -1 :              -0.00007695836329
                   +0 :              -0.00007227247441
                   +1 :              -0.00024501013073
                   +2 :              -0.00010441916874
              4 vec=     5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00076183231075
                2s
                   +0 :               0.00794720719566
                3s
                   +0 :              -0.00140111830556
                2p
                   -1 :               0.00301124863838
                   +0 :              -0.00376313485570
                   +1 :               0.00010908113983
                3p
                   -1 :              -0.00106987394732
                   +0 :               0.00105587469862
                   +1 :              -0.00021020766444
                3d
                   -2 :              -0.00003730357962
                   -1 :              -0.00013958166524
                   +0 :               0.00002427111811
                   +1 :               0.00001795390895
                   +2 :              -0.00012893373114
              5 vec=   -10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00004145007959
                2s
                   +0 :              -0.00044916489118
                3s
                   +0 :               0.00005067024737
                2p
                   -1 :              -0.00012154431565
                   +0 :               0.00019396368131
                   +1 :               0.00027909918334
                3p
                   -1 :              -0.00010169557185
                   +0 :               0.00011655947113
                   +1 :              -0.00000708836132
                3d
                   -2 :               0.00000180623466
                   -1 :              -0.00002905806318
                   +0 :              -0.00002025005143
                   +1 :              -0.00003691148197
                   +2 :              -0.00000516825031
              6 vec=    -2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00003143165283
                2s
                   +0 :               0.00054604813559
                3s
                   +0 :               0.00012083837246
                2p
                   -1 :              -0.00020393682171
                   +0 :               0.00050334677392
                   +1 :              -0.00053298881460
                3p
                   -1 :               0.00040775141761
                   +0 :              -0.00070713002488
                   +1 :               0.00034546576170
                3d
                   -2 :               0.00003864563462
                   -1 :              -0.00003536276293
                   +0 :               0.00003089978302
                   +1 :               0.00000339745465
                   +2 :              -0.00002662388488
              7 vec=    -2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :              -0.00005191437201
                2s
                   +0 :               0.00033838654507
                3s
                   +0 :              -0.00013212322706
                2p
                   -1 :               0.00029750033302
                   +0 :               0.00022365528729
                   +1 :               0.00021152911124
                3p
                   -1 :               0.00001289452323
                   +0 :              -0.00020178281076
                   +1 :              -0.00002899749226
                3d
                   -2 :               0.00000263967695
                   -1 :               0.00002794233450
                   +0 :              -0.00001317973424
                   +1 :               0.00002422651497
                   +2 :              -0.00001460433601
              8 vec=   -10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :              -0.00010210859129
                2s
                   +0 :               0.00090570615655
                3s
                   +0 :              -0.00019743208437
                2p
                   -1 :              -0.00007381613033
                   +0 :              -0.00034051752911
                   +1 :              -0.00046739832254
                3p
                   -1 :              -0.00002787188886
                   +0 :               0.00010692554294
                   +1 :               0.00016242088722
                3d
                   -2 :               0.00001779489392
                   -1 :               0.00003347712385
                   +0 :              -0.00000038005710
                   +1 :               0.00002998688688
                   +2 :              -0.00000870451909
              9 vec=     5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :              -0.00001753349855
                2s
                   +0 :               0.00021049001237
                3s
                   +0 :              -0.00003218330219
                2p
                   -1 :              -0.00032294115559
                   +0 :               0.00042149310486
                   +1 :              -0.00025950261023
                3p
                   -1 :               0.00023792089106
                   +0 :              -0.00030963419228
                   +1 :               0.00008155406477
                3d
                   -2 :              -0.00000589185523
                   -1 :              -0.00001179628534
                   +0 :              -0.00001799266888
                   +1 :              -0.00001718728032
                   +2 :              -0.00001525278065
             10 vec=     5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00017318427890
                2s
                   +0 :              -0.00185384902500
                3s
                   +0 :               0.00026541406825
                2p
                   -1 :               0.00064780115312
                   +0 :               0.00011907889484
                   +1 :              -0.00047125343639
                3p
                   -1 :              -0.00005300626834
                   +0 :              -0.00012692154932
                   +1 :               0.00000880113339
                3d
                   -2 :               0.00002552832386
                   -1 :               0.00000732493733
                   +0 :               0.00001964923216
                   +1 :              -0.00002726364692
                   +2 :               0.00002868267506
             11 vec=    13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00009471468059
                2s
                   +0 :               0.00097098419866
                3s
                   +0 :              -0.00015804324079
                2p
                   -1 :               0.00011221666825
                   +0 :              -0.00014571085556
                   +1 :               0.00033539377898
                3p
                   -1 :              -0.00008309516606
                   +0 :               0.00012999360966
                   +1 :              -0.00000050548991
                3d
                   -2 :               0.00000856340718
                   -1 :               0.00000669169130
                   +0 :              -0.00000217881136
                   +1 :               0.00002166137905
                   +2 :               0.00001194993442
             12 vec=    -2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00013057773339
                2s
                   +0 :               0.00138026100288
                3s
                   +0 :              -0.00017333865386
                2p
                   -1 :              -0.00023252547093
                   +0 :               0.00053532847047
                   +1 :              -0.00027956360949
                3p
                   -1 :               0.00012962552147
                   +0 :               0.00005799001809
                   +1 :               0.00011371188706
                3d
                   -2 :               0.00001451207564
                   -1 :               0.00000179708117
                   +0 :               0.00004712603169
                   +1 :              -0.00001749032161
                   +2 :               0.00001837907284
             13 vec=     5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00019685450600
                2s
                   +0 :              -0.00191748577927
                3s
                   +0 :               0.00035243955381
                2p
                   -1 :               0.00048771177449
                   +0 :              -0.00113413876304
                   +1 :              -0.00026807460167
                3p
                   -1 :              -0.00035174908097
                   +0 :               0.00036517298727
                   +1 :               0.00004265331251
                3d
                   -2 :               0.00000477285947
                   -1 :              -0.00003545893201
                   +0 :              -0.00001207982507
                   +1 :              -0.00001158374725
                   +2 :               0.00002104289130
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 17)  npairs=  13
              1 vec=     2.383842      1.376312     -9.763049   |vec|=   10.143671
                1s
                   +0 :              -0.00037471714036
                2s
                   +0 :               0.00423330472816
                3s
                   +0 :              -0.00044254941953
                2p
                   -1 :              -0.00205598389123
                   +0 :              -0.00150518060841
                   +1 :              -0.00209369838843
                3p
                   -1 :               0.00056109762246
                   +0 :              -0.00003515237756
                   +1 :               0.00083535002132
                3d
                   -2 :              -0.00004744369199
                   -1 :               0.00003578866765
                   +0 :               0.00010521712371
                   +1 :               0.00004925045757
                   +2 :              -0.00003054066413
              2 vec=    -5.396321     -3.115567     -9.763049   |vec|=   11.582062
                1s
                   +0 :               0.00004895426934
                2s
                   +0 :              -0.00085609351408
                3s
                   +0 :              -0.00003801115753
                2p
                   -1 :              -0.00136044872984
                   +0 :              -0.00080430920502
                   +1 :               0.00032601435544
                3p
                   -1 :               0.00094932203499
                   +0 :               0.00089030864793
                   +1 :               0.00000652984933
                3d
                   -2 :              -0.00005156006164
                   -1 :              -0.00008972627469
                   +0 :              -0.00002479650516
                   +1 :               0.00000349452340
                   +2 :              -0.00000667357502
              3 vec=    -5.396321      5.868191     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00001860099788
                2s
                   +0 :               0.00042880822022
                3s
                   +0 :               0.00003356734441
                2p
                   -1 :               0.00048129614705
                   +0 :               0.00063005155148
                   +1 :               0.00072708848752
                3p
                   -1 :              -0.00042225763287
                   +0 :              -0.00044281703592
                   +1 :              -0.00032684466680
                3d
                   -2 :               0.00003730438228
                   -1 :               0.00003191118073
                   +0 :              -0.00002240355382
                   +1 :              -0.00003869389445
                   +2 :              -0.00003615550570
              4 vec=     2.383842     -7.607446     -9.763049   |vec|=   12.604486
                1s
                   +0 :               0.00109923243242
                2s
                   +0 :              -0.01181953089351
                3s
                   +0 :               0.00193453170088
                2p
                   -1 :               0.00178760104248
                   +0 :               0.00561061709550
                   +1 :              -0.00362064440535
                3p
                   -1 :              -0.00051423109354
                   +0 :              -0.00111208786348
                   +1 :               0.00101362217399
                3d
                   -2 :               0.00019889833958
                   -1 :              -0.00010708293255
                   +0 :              -0.00016956541082
                   +1 :               0.00023963775090
                   +2 :              -0.00009429882444
              5 vec=     2.383842     10.360070     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00014616324219
                2s
                   +0 :               0.00159097865624
                3s
                   +0 :              -0.00017296478414
                2p
                   -1 :               0.00068568670342
                   +0 :              -0.00002869489391
                   +1 :              -0.00051593166200
                3p
                   -1 :              -0.00005157946875
                   +0 :              -0.00028578828581
                   +1 :               0.00014221701169
                3d
                   -2 :              -0.00004634099839
                   -1 :              -0.00005964161256
                   +0 :               0.00003463069494
                   +1 :              -0.00001942600930
                   +2 :              -0.00001464007466
              6 vec=    10.164004     -3.115567     -9.763049   |vec|=   14.433671
                1s
                   +0 :              -0.00010464682541
                2s
                   +0 :               0.00102243558544
                3s
                   +0 :              -0.00020935460787
                2p
                   -1 :              -0.00093863795176
                   +0 :              -0.00050453073821
                   +1 :              -0.00002098543528
                3p
                   -1 :               0.00018606054017
                   +0 :               0.00037817564354
                   +1 :               0.00006154472318
                3d
                   -2 :              -0.00002765870149
                   -1 :               0.00000799862546
                   +0 :               0.00000069078623
                   +1 :               0.00001709635002
                   +2 :               0.00000330282305
              7 vec=     2.383842      1.376312     14.784494   |vec|=   15.038557
                1s
                   +0 :               0.00005340819764
                2s
                   +0 :              -0.00023542143628
                3s
                   +0 :               0.00016641676297
                2p
                   -1 :               0.00025177742671
                   +0 :              -0.00016217960913
                   +1 :               0.00035991991908
                3p
                   -1 :              -0.00002503685250
                   +0 :               0.00026546773088
                   +1 :              -0.00028075396321
                3d
                   -2 :              -0.00001263772626
                   -1 :               0.00002482763238
                   +0 :               0.00003799218749
                   +1 :              -0.00002203740681
                   +2 :              -0.00000403843834
              8 vec=    10.164004      5.868191     -9.763049   |vec|=   15.266295
                1s
                   +0 :              -0.00007830038931
                2s
                   +0 :               0.00123492756934
                3s
                   +0 :              -0.00003559851138
                2p
                   -1 :              -0.00009418606380
                   +0 :              -0.00049615287447
                   +1 :               0.00063403548250
                3p
                   -1 :               0.00016225988427
                   +0 :               0.00007801380074
                   +1 :              -0.00009836493747
                3d
                   -2 :              -0.00000732584128
                   -1 :              -0.00003643058370
                   +0 :               0.00000998818683
                   +1 :              -0.00001631868948
                   +2 :              -0.00002221153029
              9 vec=    -5.396321     -3.115567     14.784494   |vec|=   16.043949
                1s
                   +0 :              -0.00005668610177
                2s
                   +0 :               0.00057774910568
                3s
                   +0 :              -0.00005204684369
                2p
                   -1 :               0.00000256818560
                   +0 :               0.00023625453796
                   +1 :               0.00000089244553
                3p
                   -1 :              -0.00008958137274
                   +0 :               0.00008204857056
                   +1 :               0.00009981205182
                3d
                   -2 :              -0.00000561982142
                   -1 :              -0.00002941896290
                   +0 :               0.00000365170847
                   +1 :               0.00002296552439
                   +2 :              -0.00000630428333
             10 vec=   -13.176483      1.376312     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00004647238348
                2s
                   +0 :               0.00046900444197
                3s
                   +0 :              -0.00007525703964
                2p
                   -1 :              -0.00003204830476
                   +0 :              -0.00002690948977
                   +1 :              -0.00024642597471
                3p
                   -1 :              -0.00000568247719
                   +0 :               0.00005670450146
                   +1 :               0.00006694148149
                3d
                   -2 :              -0.00000900767568
                   -1 :              -0.00001210942317
                   +0 :              -0.00000589760270
                   +1 :              -0.00000402462607
                   +2 :               0.00000795730916
             11 vec=    -5.396321    -12.099325     -9.763049   |vec|=   16.456946
                1s
                   +0 :               0.00017916842076
                2s
                   +0 :              -0.00166005694653
                3s
                   +0 :               0.00024367151147
                2p
                   -1 :               0.00083721920951
                   +0 :               0.00016933516448
                   +1 :               0.00041717682813
                3p
                   -1 :              -0.00035758399517
                   +0 :              -0.00007438331238
                   +1 :              -0.00008377324000
                3d
                   -2 :              -0.00001573701694
                   -1 :               0.00001777061672
                   +0 :              -0.00000953220744
                   +1 :              -0.00000644660922
                   +2 :               0.00002448586963
             12 vec=    -5.396321      5.868191     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00012785851624
                2s
                   +0 :              -0.00118070112255
                3s
                   +0 :               0.00018899984444
                2p
                   -1 :               0.00017257502928
                   +0 :              -0.00035214421427
                   +1 :               0.00054941672697
                3p
                   -1 :               0.00006562431556
                   +0 :              -0.00019193272752
                   +1 :              -0.00021875206629
                3d
                   -2 :               0.00000428159290
                   -1 :               0.00000798790648
                   +0 :              -0.00005669510233
                   +1 :              -0.00000343130449
                   +2 :               0.00000577313799
             13 vec=     2.383842     -7.607446     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00009257682266
                2s
                   +0 :               0.00096885142738
                3s
                   +0 :              -0.00015923804893
                2p
                   -1 :               0.00019182128688
                   +0 :               0.00056973097105
                   +1 :               0.00009588383610
                3p
                   -1 :              -0.00016657534471
                   +0 :              -0.00017792941589
                   +1 :               0.00003966217152
                3d
                   -2 :              -0.00001827418389
                   -1 :              -0.00001500550023
                   +0 :              -0.00000922375543
                   +1 :               0.00002255329613
                   +2 :               0.00001720564369
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 18)  npairs=  13
              1 vec=     0.000000     -2.752623     -9.763049   |vec|=   10.143671
                1s
                   +0 :               0.00062093499338
                2s
                   +0 :              -0.00572785775038
                3s
                   +0 :               0.00135806401399
                2p
                   -1 :              -0.00247113057371
                   +0 :               0.00238963136935
                   +1 :               0.00001519593185
                3p
                   -1 :               0.00021135644484
                   +0 :              -0.00062611398322
                   +1 :              -0.00035608542924
                3d
                   -2 :               0.00004122879037
                   -1 :               0.00014127601153
                   +0 :               0.00003461794248
                   +1 :               0.00005959615125
                   +2 :               0.00002729190814
              2 vec=     0.000000      6.231135     -9.763049   |vec|=   11.582062
                1s
                   +0 :              -0.00002518393949
                2s
                   +0 :               0.00084938563374
                3s
                   +0 :               0.00008734799542
                2p
                   -1 :              -0.00103904085479
                   +0 :               0.00156567729888
                   +1 :               0.00068876671516
                3p
                   -1 :               0.00101373324856
                   +0 :              -0.00154344431214
                   +1 :              -0.00107687512865
                3d
                   -2 :               0.00002900298531
                   -1 :              -0.00007364275210
                   +0 :               0.00004759903712
                   +1 :               0.00010448833620
                   +2 :              -0.00005157905507
              3 vec=    -7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00033740012167
                2s
                   +0 :               0.00387232369785
                3s
                   +0 :              -0.00053341339532
                2p
                   -1 :              -0.00083061223084
                   +0 :              -0.00184748223980
                   +1 :              -0.00069607172944
                3p
                   -1 :               0.00026781520956
                   +0 :               0.00005621316487
                   +1 :              -0.00007949357203
                3d
                   -2 :               0.00005080267093
                   -1 :               0.00006865153984
                   +0 :               0.00014529429271
                   +1 :               0.00010065110183
                   +2 :               0.00009294058466
              4 vec=     7.780163      1.739256     -9.763049   |vec|=   12.604486
                1s
                   +0 :              -0.00040400220861
                2s
                   +0 :               0.00488351060817
                3s
                   +0 :              -0.00028412170664
                2p
                   -1 :              -0.00134247750024
                   +0 :              -0.00269216926665
                   +1 :               0.00181462518909
                3p
                   -1 :              -0.00001832542763
                   +0 :               0.00002340197770
                   +1 :              -0.00003324643168
                3d
                   -2 :              -0.00011274605748
                   -1 :               0.00015615151055
                   +0 :               0.00009467602823
                   +1 :              -0.00023613580341
                   +2 :               0.00008721215358
              5 vec=    -7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00013607847823
                2s
                   +0 :              -0.00156848372102
                3s
                   +0 :               0.00008851623541
                2p
                   -1 :              -0.00012787945341
                   +0 :               0.00000118396429
                   +1 :               0.00035928271787
                3p
                   -1 :               0.00005102314686
                   +0 :               0.00032895438134
                   +1 :               0.00039549517409
                3d
                   -2 :              -0.00002042382275
                   -1 :              -0.00000181847734
                   +0 :              -0.00003159056925
                   +1 :              -0.00002730516156
                   +2 :              -0.00006908177036
              6 vec=     7.780163     -7.244502     -9.763049   |vec|=   14.433671
                1s
                   +0 :               0.00010471316260
                2s
                   +0 :              -0.00114181376506
                3s
                   +0 :               0.00012229453677
                2p
                   -1 :              -0.00040644571497
                   +0 :              -0.00016526878740
                   +1 :              -0.00081749880857
                3p
                   -1 :               0.00005266472565
                   +0 :               0.00016922881468
                   +1 :               0.00002416250676
                3d
                   -2 :              -0.00001406454135
                   -1 :              -0.00002920697435
                   +0 :              -0.00001438064352
                   +1 :              -0.00000168261493
                   +2 :              -0.00005160088943
              7 vec=     0.000000     -2.752623     14.784494   |vec|=   15.038557
                1s
                   +0 :              -0.00000149382562
                2s
                   +0 :              -0.00010296510880
                3s
                   +0 :              -0.00003429353592
                2p
                   -1 :               0.00040314908915
                   +0 :              -0.00006147567816
                   +1 :               0.00032532171356
                3p
                   -1 :              -0.00022409866405
                   +0 :              -0.00006368492012
                   +1 :              -0.00012202619275
                3d
                   -2 :              -0.00001414936045
                   -1 :              -0.00001368074810
                   +0 :              -0.00002481245326
                   +1 :               0.00000379196524
                   +2 :              -0.00002255200647
              8 vec=     0.000000    -11.736381     -9.763049   |vec|=   15.266295
                1s
                   +0 :               0.00018040898060
                2s
                   +0 :              -0.00214063372589
                3s
                   +0 :               0.00023303059576
                2p
                   -1 :               0.00086986855868
                   +0 :               0.00083667040358
                   +1 :               0.00010095945983
                3p
                   -1 :              -0.00015865315142
                   +0 :              -0.00018493934368
                   +1 :              -0.00013263097071
                3d
                   -2 :               0.00001693194116
                   -1 :              -0.00004157853539
                   +0 :              -0.00000960812973
                   +1 :               0.00006737594936
                   +2 :              -0.00003721321953
              9 vec=     0.000000      6.231135     14.784494   |vec|=   16.043949
                1s
                   +0 :               0.00007421960032
                2s
                   +0 :              -0.00078823911805
                3s
                   +0 :               0.00008423014589
                2p
                   -1 :               0.00006532224831
                   +0 :              -0.00065774764282
                   +1 :              -0.00041120444099
                3p
                   -1 :               0.00008998163977
                   +0 :               0.00022758562172
                   +1 :               0.00037430833854
                3d
                   -2 :              -0.00001350546434
                   -1 :               0.00001416572480
                   +0 :               0.00001434096041
                   +1 :               0.00001815080849
                   +2 :              -0.00001054294380
             10 vec=    -7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00008445374018
                2s
                   +0 :               0.00068907274787
                3s
                   +0 :              -0.00008562827068
                2p
                   -1 :               0.00054554413704
                   +0 :              -0.00002362430892
                   +1 :              -0.00025158531498
                3p
                   -1 :              -0.00029245156751
                   +0 :              -0.00005561029728
                   +1 :               0.00019557493412
                3d
                   -2 :              -0.00001444324323
                   -1 :              -0.00001211107788
                   +0 :               0.00001171101881
                   +1 :              -0.00000198724595
                   +2 :              -0.00000282688259
             11 vec=     7.780163     10.723014     -9.763049   |vec|=   16.456946
                1s
                   +0 :              -0.00012671189542
                2s
                   +0 :               0.00138484458302
                3s
                   +0 :              -0.00019015702861
                2p
                   -1 :               0.00050258271746
                   +0 :              -0.00009216940507
                   +1 :               0.00022992719573
                3p
                   -1 :               0.00002100664567
                   +0 :               0.00007021704786
                   +1 :              -0.00000311229790
                3d
                   -2 :               0.00002620901746
                   -1 :               0.00001773333950
                   +0 :              -0.00001375162946
                   +1 :               0.00000118651340
                   +2 :              -0.00001158906084
             12 vec=    -7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :              -0.00010427768335
                2s
                   +0 :               0.00094863435189
                3s
                   +0 :              -0.00019320150487
                2p
                   -1 :               0.00065496378372
                   +0 :               0.00056440779199
                   +1 :               0.00017015329622
                3p
                   -1 :              -0.00026175261693
                   +0 :              -0.00018724357138
                   +1 :              -0.00011920741770
                3d
                   -2 :              -0.00000342750829
                   -1 :               0.00000433133066
                   +0 :               0.00002130358051
                   +1 :              -0.00001222841708
                   +2 :              -0.00000083505753
             13 vec=     7.780163      1.739256     14.784494   |vec|=   16.796940
                1s
                   +0 :               0.00000271921714
                2s
                   +0 :              -0.00019955988033
                3s
                   +0 :              -0.00001566119058
                2p
                   -1 :               0.00068794280979
                   +0 :              -0.00018318425620
                   +1 :              -0.00021590076553
                3p
                   -1 :              -0.00019029731093
                   +0 :               0.00013394270943
                   +1 :               0.00000290658057
                3d
                   -2 :               0.00002031389409
                   -1 :               0.00001706795981
                   +0 :               0.00000956907063
                   +1 :              -0.00001582222503
                   +2 :               0.00000321624748
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 19)  npairs=  15
              1 vec=    -0.209286      3.115418     10.693237   |vec|=   11.139791
                1s
                   +0 :               0.00036816585022
                2s
                   +0 :              -0.00313631009301
                3s
                   +0 :               0.00084215005352
                2p
                   -1 :               0.00231523379428
                   +0 :              -0.00172375333213
                   +1 :               0.00092181616855
                3p
                   -1 :              -0.00124494863200
                   +0 :               0.00090225006454
                   +1 :              -0.00052291883277
                3d
                   -2 :              -0.00001325692234
                   -1 :              -0.00004480003013
                   +0 :               0.00014877971002
                   +1 :               0.00003311892436
                   +2 :               0.00011019446300
              2 vec=    -0.209286     -5.868340     10.693237   |vec|=   12.199448
                1s
                   +0 :              -0.00026533922820
                2s
                   +0 :               0.00353772232096
                3s
                   +0 :              -0.00034374444664
                2p
                   -1 :              -0.00174060335538
                   +0 :               0.00197177545221
                   +1 :              -0.00069054472632
                3p
                   -1 :               0.00097375365453
                   +0 :              -0.00011711386117
                   +1 :               0.00049409345900
                3d
                   -2 :               0.00000948363078
                   -1 :              -0.00009652335964
                   +0 :               0.00008993404019
                   +1 :               0.00004293197858
                   +2 :               0.00002064808227
              3 vec=     7.570876     -1.376461     10.693237   |vec|=   13.174146
                1s
                   +0 :              -0.00015167875318
                2s
                   +0 :               0.00162049660189
                3s
                   +0 :              -0.00001777322893
                2p
                   -1 :               0.00059128447097
                   +0 :               0.00008336494305
                   +1 :               0.00031825674415
                3p
                   -1 :               0.00015335897839
                   +0 :               0.00064335770984
                   +1 :               0.00008226738668
                3d
                   -2 :               0.00007135484464
                   -1 :               0.00010358410436
                   +0 :               0.00006573804376
                   +1 :               0.00006550723257
                   +2 :               0.00000412598135
              4 vec=    -7.989449     -1.376461     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00050459617365
                2s
                   +0 :               0.00406602315964
                3s
                   +0 :              -0.00096091850838
                2p
                   -1 :              -0.00020498626941
                   +0 :               0.00084781253627
                   +1 :              -0.00092941376299
                3p
                   -1 :               0.00078459388598
                   +0 :              -0.00001076507533
                   +1 :               0.00041932551285
                3d
                   -2 :              -0.00003339453620
                   -1 :               0.00008558723083
                   +0 :               0.00007781326238
                   +1 :               0.00000659960912
                   +2 :              -0.00001806847871
              5 vec=    -0.209286      3.115418    -13.854306   |vec|=   14.201810
                1s
                   +0 :              -0.00007538151896
                2s
                   +0 :               0.00070679672839
                3s
                   +0 :              -0.00018073888676
                2p
                   -1 :              -0.00021257293018
                   +0 :              -0.00009754603316
                   +1 :              -0.00010639985301
                3p
                   -1 :               0.00017422120418
                   +0 :               0.00004745404523
                   +1 :              -0.00012013262715
                3d
                   -2 :              -0.00001742323182
                   -1 :              -0.00001921150376
                   +0 :              -0.00001980099540
                   +1 :               0.00001645252617
                   +2 :              -0.00000330904599
              6 vec=    -0.209286     -5.868340    -13.854306   |vec|=   15.047359
                1s
                   +0 :               0.00022641475954
                2s
                   +0 :              -0.00204299417824
                3s
                   +0 :               0.00047080356155
                2p
                   -1 :              -0.00078910173040
                   +0 :               0.00098863497222
                   +1 :               0.00017711233539
                3p
                   -1 :               0.00039707619650
                   +0 :              -0.00040259588474
                   +1 :              -0.00001023209434
                3d
                   -2 :              -0.00000084902088
                   -1 :              -0.00002460822840
                   +0 :               0.00003037846974
                   +1 :              -0.00002049436659
                   +2 :              -0.00001053496091
              7 vec=     7.570876      7.607297     10.693237   |vec|=   15.150394
                1s
                   +0 :               0.00014086965351
                2s
                   +0 :              -0.00155309560685
                3s
                   +0 :               0.00021483235253
                2p
                   -1 :               0.00013858151111
                   +0 :               0.00042124704295
                   +1 :              -0.00119319291622
                3p
                   -1 :              -0.00020634825480
                   +0 :              -0.00034725135424
                   +1 :               0.00037938381836
                3d
                   -2 :              -0.00003726591077
                   -1 :              -0.00001697722185
                   +0 :               0.00000748804955
                   +1 :              -0.00002262440361
                   +2 :              -0.00000317346154
              8 vec=    -7.989449      7.607297     10.693237   |vec|=   15.363840
                1s
                   +0 :               0.00013288596406
                2s
                   +0 :              -0.00133121108424
                3s
                   +0 :               0.00024307849764
                2p
                   -1 :               0.00035416183112
                   +0 :              -0.00044917076998
                   +1 :               0.00066654940044
                3p
                   -1 :              -0.00030518430408
                   +0 :               0.00025095253987
                   +1 :              -0.00010531083458
                3d
                   -2 :               0.00003287648916
                   -1 :              -0.00001141497295
                   +0 :              -0.00000885406341
                   +1 :              -0.00001243798330
                   +2 :              -0.00001152070236
              9 vec=     7.570876     -1.376461    -13.854306   |vec|=   15.847858
                1s
                   +0 :              -0.00001561608083
                2s
                   +0 :               0.00030597211395
                3s
                   +0 :               0.00010705754913
                2p
                   -1 :              -0.00070183362350
                   +0 :               0.00000070633713
                   +1 :              -0.00036268523258
                3p
                   -1 :               0.00005378902334
                   +0 :              -0.00041919934982
                   +1 :               0.00011321410843
                3d
                   -2 :               0.00000264305065
                   -1 :               0.00003807263746
                   +0 :               0.00002487058765
                   +1 :               0.00000411035680
                   +2 :              -0.00001609362981
             10 vec=    -7.989449     -1.376461    -13.854306   |vec|=   16.052032
                1s
                   +0 :              -0.00000934459507
                2s
                   +0 :               0.00014276649955
                3s
                   +0 :               0.00002394339196
                2p
                   -1 :              -0.00063455788804
                   +0 :              -0.00011547767793
                   +1 :               0.00023893164431
                3p
                   -1 :               0.00011977619936
                   +0 :              -0.00015712483526
                   +1 :              -0.00006860838858
                3d
                   -2 :              -0.00000003900777
                   -1 :               0.00003169620018
                   +0 :               0.00001130755403
                   +1 :              -0.00000564779457
                   +2 :              -0.00002120094077
             11 vec=    -0.209286     12.099176     10.693237   |vec|=   16.148658
                1s
                   +0 :               0.00017192124824
                2s
                   +0 :              -0.00158775019707
                3s
                   +0 :               0.00025490764542
                2p
                   -1 :              -0.00092314848747
                   +0 :              -0.00015023725362
                   +1 :              -0.00006354615080
                3p
                   -1 :               0.00025871190805
                   +0 :              -0.00016110164926
                   +1 :               0.00009248748272
                3d
                   -2 :              -0.00000181349931
                   -1 :              -0.00004863578170
                   +0 :              -0.00002225032782
                   +1 :              -0.00001579617261
                   +2 :               0.00002607693279
             12 vec=     7.570876    -10.360219     10.693237   |vec|=   16.703222
                1s
                   +0 :              -0.00004543517919
                2s
                   +0 :               0.00059605933513
                3s
                   +0 :              -0.00003266353586
                2p
                   -1 :              -0.00037679934213
                   +0 :              -0.00009895655662
                   +1 :               0.00016044094064
                3p
                   -1 :               0.00015207814558
                   +0 :               0.00011062406856
                   +1 :              -0.00001782386413
                3d
                   -2 :               0.00000217225062
                   -1 :               0.00000851715474
                   +0 :               0.00000000724168
                   +1 :               0.00001095341251
                   +2 :               0.00000203531758
             13 vec=    -7.989449    -10.360219     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00004404445585
                2s
                   +0 :               0.00049634641267
                3s
                   +0 :              -0.00006303473778
                2p
                   -1 :              -0.00016031504392
                   +0 :               0.00004088109382
                   +1 :              -0.00009344204179
                3p
                   -1 :               0.00000874106650
                   +0 :              -0.00003022477572
                   +1 :              -0.00002559929865
                3d
                   -2 :               0.00001006613013
                   -1 :               0.00001316801698
                   +0 :               0.00000224931975
                   +1 :               0.00000254706195
                   +2 :              -0.00001420548488
             14 vec=     7.570876      7.607297    -13.854306   |vec|=   17.525151
                1s
                   +0 :              -0.00012799513051
                2s
                   +0 :               0.00158176087645
                3s
                   +0 :              -0.00012900290879
                2p
                   -1 :               0.00020588220464
                   +0 :              -0.00077374709100
                   +1 :               0.00049688019678
                3p
                   -1 :              -0.00006424736716
                   +0 :               0.00003858310138
                   +1 :              -0.00008562604631
                3d
                   -2 :               0.00002025463013
                   -1 :               0.00000174040203
                   +0 :               0.00002871093678
                   +1 :              -0.00004343398769
                   +2 :               0.00002269919341
             15 vec=    -7.989449      7.607297    -13.854306   |vec|=   17.709998
                1s
                   +0 :              -0.00002943631307
                2s
                   +0 :               0.00027715009732
                3s
                   +0 :              -0.00004306120951
                2p
                   -1 :              -0.00008697899302
                   +0 :              -0.00001308233533
                   +1 :              -0.00011877222148
                3p
                   -1 :               0.00004542293241
                   +0 :               0.00001862474611
                   +1 :               0.00006304355741
                3d
                   -2 :               0.00000927588594
                   -1 :               0.00001114819545
                   +0 :              -0.00000745928125
                   +1 :               0.00000314340677
                   +2 :               0.00000445208333
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 20)  npairs=  15
              1 vec=     2.802674     -1.376461     10.693237   |vec|=   11.139791
                1s
                   +0 :              -0.00030307324221
                2s
                   +0 :               0.00207542116098
                3s
                   +0 :              -0.00087520060337
                2p
                   -1 :               0.00408621644257
                   +0 :               0.00032055800411
                   +1 :               0.00106971350562
                3p
                   -1 :              -0.00150412353226
                   +0 :              -0.00067252473469
                   +1 :              -0.00038301255817
                3d
                   -2 :              -0.00005858011192
                   -1 :               0.00013823082883
                   +0 :              -0.00011203032997
                   +1 :               0.00003460347791
                   +2 :               0.00008047328265
              2 vec=    -4.977489      3.115418     10.693237   |vec|=   12.199448
                1s
                   +0 :              -0.00006332325948
                2s
                   +0 :              -0.00003945434642
                3s
                   +0 :              -0.00035767916202
                2p
                   -1 :              -0.00143806321977
                   +0 :               0.00011615460440
                   +1 :               0.00028608539569
                3p
                   -1 :               0.00091528088415
                   +0 :              -0.00015074731095
                   +1 :              -0.00033064551971
                3d
                   -2 :              -0.00005777786208
                   -1 :              -0.00002161303213
                   +0 :               0.00001916416779
                   +1 :              -0.00003311530661
                   +2 :               0.00011923056503
              3 vec=    -4.977489     -5.868340     10.693237   |vec|=   13.174146
                1s
                   +0 :              -0.00026571428239
                2s
                   +0 :               0.00250751989291
                3s
                   +0 :              -0.00035149263338
                2p
                   -1 :              -0.00045190090912
                   +0 :               0.00055550636598
                   +1 :               0.00028264976919
                3p
                   -1 :              -0.00016645765087
                   +0 :               0.00026437321458
                   +1 :               0.00004923913469
                3d
                   -2 :              -0.00006232603349
                   -1 :              -0.00010690708284
                   +0 :               0.00000373453092
                   +1 :               0.00003659586582
                   +2 :              -0.00003812113812
              4 vec=     2.802674      7.607297     10.693237   |vec|=   13.419063
                1s
                   +0 :               0.00075280991782
                2s
                   +0 :              -0.00662017552387
                3s
                   +0 :               0.00147977463944
                2p
                   -1 :              -0.00094460303564
                   +0 :              -0.00103603366535
                   +1 :              -0.00089955430679
                3p
                   -1 :               0.00057154568156
                   +0 :              -0.00044379379043
                   +1 :              -0.00046411027183
                3d
                   -2 :               0.00000603247156
                   -1 :               0.00005770302444
                   +0 :              -0.00008893785309
                   +1 :              -0.00016374954137
                   +2 :              -0.00008832553162
              5 vec=     2.802674     -1.376461    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00003905529561
                2s
                   +0 :              -0.00013039329863
                3s
                   +0 :               0.00016063692482
                2p
                   -1 :              -0.00061509424146
                   +0 :               0.00005175066331
                   +1 :              -0.00021616803434
                3p
                   -1 :               0.00007465080662
                   +0 :              -0.00019927944518
                   +1 :              -0.00002696736713
                3d
                   -2 :              -0.00001580135394
                   -1 :               0.00001573246504
                   +0 :               0.00002202207171
                   +1 :               0.00001470806353
                   +2 :              -0.00002282249422
              6 vec=    -4.977489      3.115418    -13.854306   |vec|=   15.047359
                1s
                   +0 :              -0.00006468129918
                2s
                   +0 :               0.00055763761471
                3s
                   +0 :              -0.00016978417584
                2p
                   -1 :              -0.00009564191108
                   +0 :              -0.00009997904758
                   +1 :               0.00029771534340
                3p
                   -1 :               0.00007268663388
                   +0 :               0.00007803008473
                   +1 :              -0.00012135050708
                3d
                   -2 :               0.00000404660028
                   -1 :              -0.00001956951063
                   +0 :              -0.00000663354561
                   +1 :               0.00000564349006
                   +2 :               0.00000903264143
              7 vec=     2.802674    -10.360219     10.693237   |vec|=   15.150394
                1s
                   +0 :              -0.00008067594070
                2s
                   +0 :               0.00088729221450
                3s
                   +0 :              -0.00012991070358
                2p
                   -1 :              -0.00061889681837
                   +0 :              -0.00013105155175
                   +1 :              -0.00000880845859
                3p
                   -1 :               0.00017645649242
                   +0 :               0.00021949205683
                   +1 :              -0.00001337316961
                3d
                   -2 :              -0.00001714226119
                   -1 :              -0.00000861787475
                   +0 :               0.00000861209029
                   +1 :               0.00000518450395
                   +2 :               0.00001283512924
              8 vec=    10.582837      3.115418     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00002164385131
                2s
                   +0 :               0.00020653540408
                3s
                   +0 :              -0.00002734813836
                2p
                   -1 :               0.00028262185025
                   +0 :              -0.00001302278105
                   +1 :              -0.00028724485890
                3p
                   -1 :              -0.00003069447549
                   +0 :               0.00009783126721
                   +1 :               0.00014277295004
                3d
                   -2 :               0.00002721999820
                   -1 :               0.00000331468074
                   +0 :               0.00001949111166
                   +1 :               0.00000470585382
                   +2 :              -0.00000376702636
              9 vec=    -4.977489     -5.868340    -13.854306   |vec|=   15.847858
                1s
                   +0 :               0.00017575398498
                2s
                   +0 :              -0.00163820211188
                3s
                   +0 :               0.00030959453216
                2p
                   -1 :              -0.00015855473955
                   +0 :               0.00058424981747
                   +1 :               0.00032946316035
                3p
                   -1 :              -0.00020291560570
                   +0 :               0.00000024888502
                   +1 :               0.00001551582194
                3d
                   -2 :               0.00002854759937
                   -1 :               0.00004907946305
                   +0 :              -0.00001064586958
                   +1 :              -0.00003466975607
                   +2 :              -0.00000473821453
             10 vec=     2.802674      7.607297    -13.854306   |vec|=   16.052032
                1s
                   +0 :              -0.00012380086137
                2s
                   +0 :               0.00138880735303
                3s
                   +0 :              -0.00013707877774
                2p
                   -1 :               0.00017998432915
                   +0 :              -0.00090564136323
                   +1 :              -0.00023985164980
                3p
                   -1 :              -0.00004602932063
                   +0 :               0.00022124513484
                   +1 :              -0.00016278333492
                3d
                   -2 :              -0.00003354272382
                   -1 :              -0.00002443097381
                   +0 :               0.00001376698962
                   +1 :               0.00006465441512
                   +2 :               0.00001249249917
             11 vec=    10.582837     -5.868340     10.693237   |vec|=   16.148658
                1s
                   +0 :              -0.00009126257595
                2s
                   +0 :               0.00079646366424
                3s
                   +0 :              -0.00016460132509
                2p
                   -1 :              -0.00000557883956
                   +0 :               0.00004505285720
                   +1 :               0.00048753926818
                3p
                   -1 :              -0.00002039026078
                   +0 :               0.00010030747384
                   +1 :              -0.00016857035141
                3d
                   -2 :              -0.00000798389994
                   -1 :              -0.00001469153119
                   +0 :               0.00000650739428
                   +1 :               0.00001158659960
                   +2 :               0.00000429009251
             12 vec=   -12.757651     -1.376461     10.693237   |vec|=   16.703222
                1s
                   +0 :              -0.00004707262613
                2s
                   +0 :               0.00052434987298
                3s
                   +0 :              -0.00011148158875
                2p
                   -1 :              -0.00008734073505
                   +0 :              -0.00002276856756
                   +1 :              -0.00049627970129
                3p
                   -1 :               0.00007015195002
                   +0 :              -0.00010043770204
                   +1 :               0.00028095124001
                3d
                   -2 :              -0.00000021012466
                   -1 :               0.00000194381942
                   +0 :              -0.00000027764182
                   +1 :               0.00001568347412
                   +2 :              -0.00000175947513
             13 vec=    -4.977489     12.099176     10.693237   |vec|=   16.897064
                1s
                   +0 :               0.00007656544357
                2s
                   +0 :              -0.00085274009291
                3s
                   +0 :               0.00009513613452
                2p
                   -1 :              -0.00025794534983
                   +0 :              -0.00013522550149
                   +1 :               0.00022361610631
                3p
                   -1 :               0.00004174039566
                   +0 :               0.00003794819190
                   +1 :              -0.00006865469583
                3d
                   -2 :               0.00002094935357
                   -1 :               0.00000445763693
                   +0 :              -0.00001066607205
                   +1 :              -0.00001365356574
                   +2 :               0.00000508062900
             14 vec=     2.802674    -10.360219    -13.854306   |vec|=   17.525151
                1s
                   +0 :               0.00024549044059
                2s
                   +0 :              -0.00278508572277
                3s
                   +0 :               0.00035287130946
                2p
                   -1 :               0.00088561227663
                   +0 :               0.00144665377572
                   +1 :               0.00009328042973
                3p
                   -1 :              -0.00021930056863
                   +0 :              -0.00016819898162
                   +1 :              -0.00003748802109
                3d
                   -2 :              -0.00001128999896
                   -1 :              -0.00005911409716
                   +0 :              -0.00004595165131
                   +1 :              -0.00002808904653
                   +2 :               0.00004979792490
             15 vec=    10.582837      3.115418    -13.854306   |vec|=   17.709998
                1s
                   +0 :              -0.00012634507369
                2s
                   +0 :               0.00127379266911
                3s
                   +0 :              -0.00018885298710
                2p
                   -1 :               0.00005041152986
                   +0 :              -0.00024609698550
                   +1 :               0.00023970344723
                3p
                   -1 :               0.00005128831426
                   +0 :              -0.00017737096499
                   +1 :               0.00002479130967
                3d
                   -2 :               0.00000852617431
                   -1 :              -0.00003230101464
                   +0 :               0.00002613075749
                   +1 :              -0.00000991091507
                   +2 :              -0.00001047816175
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 21)  npairs=  15
              1 vec=    -2.593388     -1.738956     10.693237   |vec|=   11.139791
                1s
                   +0 :              -0.00006509260801
                2s
                   +0 :               0.00106088893203
                3s
                   +0 :               0.00003305054985
                2p
                   -1 :               0.00332880796948
                   +0 :               0.00140319532802
                   +1 :              -0.00053795112599
                3p
                   -1 :              -0.00125337369417
                   +0 :              -0.00022972532986
                   +1 :              -0.00022851364782
                3d
                   -2 :              -0.00001017921991
                   -1 :               0.00004800106044
                   +0 :              -0.00003674938005
                   +1 :              -0.00012464817240
                   +2 :               0.00005608283927
              2 vec=     5.186775      2.752923     10.693237   |vec|=   12.199448
                1s
                   +0 :               0.00032866248768
                2s
                   +0 :              -0.00349826797454
                3s
                   +0 :               0.00070142360866
                2p
                   -1 :              -0.00074354679181
                   +0 :              -0.00208793005662
                   +1 :              -0.00046423710841
                3p
                   -1 :               0.00023027236229
                   +0 :               0.00026786117212
                   +1 :               0.00013236287422
                3d
                   -2 :              -0.00010952205009
                   -1 :              -0.00012492707675
                   +0 :              -0.00010909820798
                   +1 :              -0.00005996591064
                   +2 :               0.00001168916214
              3 vec=    -2.593388      7.244802     10.693237   |vec|=   13.174146
                1s
                   +0 :               0.00041739303557
                2s
                   +0 :              -0.00412801649480
                3s
                   +0 :               0.00036926586231
                2p
                   -1 :               0.00003885523606
                   +0 :              -0.00063887130904
                   +1 :               0.00120387829669
                3p
                   -1 :              -0.00003515264150
                   +0 :              -0.00090773092441
                   +1 :               0.00034272258618
                3d
                   -2 :               0.00004110148427
                   -1 :              -0.00002669946730
                   +0 :              -0.00006947257467
                   +1 :               0.00023334226458
                   +2 :              -0.00013276861485
              4 vec=     5.186775     -6.230835     10.693237   |vec|=   13.419063
                1s
                   +0 :              -0.00024821374417
                2s
                   +0 :               0.00255415236423
                3s
                   +0 :              -0.00051885613105
                2p
                   -1 :              -0.00054893560491
                   +0 :               0.00018822112909
                   +1 :              -0.00027395712627
                3p
                   -1 :              -0.00008700804837
                   +0 :               0.00045455886576
                   +1 :               0.00016211277777
                3d
                   -2 :               0.00004716336028
                   -1 :              -0.00007588156420
                   +0 :               0.00001112459071
                   +1 :              -0.00005442653504
                   +2 :              -0.00001905221485
              5 vec=    -2.593388     -1.738956    -13.854306   |vec|=   14.201810
                1s
                   +0 :               0.00003632622336
                2s
                   +0 :              -0.00057640342976
                3s
                   +0 :               0.00002010196194
                2p
                   -1 :              -0.00050889561938
                   +0 :               0.00004579536986
                   +1 :               0.00018730973746
                3p
                   -1 :               0.00020511948732
                   +0 :               0.00015182539995
                   +1 :               0.00001268049661
                3d
                   -2 :               0.00000028684900
                   -1 :              -0.00000325026832
                   +0 :              -0.00000222107631
                   +1 :              -0.00001468206984
                   +2 :              -0.00001166118266
              6 vec=     5.186775      2.752923    -13.854306   |vec|=   15.047359
                1s
                   +0 :              -0.00016173346036
                2s
                   +0 :               0.00148535656353
                3s
                   +0 :              -0.00030101938571
                2p
                   -1 :              -0.00033792655204
                   +0 :              -0.00088865592465
                   +1 :              -0.00036313998064
                3p
                   -1 :               0.00013865004693
                   +0 :               0.00032456580001
                   +1 :               0.00021513830124
                3d
                   -2 :              -0.00001534725102
                   -1 :               0.00000054717835
                   +0 :              -0.00002374492412
                   +1 :              -0.00001178909585
                   +2 :               0.00000348857255
              7 vec=   -10.373550      2.752923     10.693237   |vec|=   15.150394
                1s
                   +0 :              -0.00006019371281
                2s
                   +0 :               0.00066580339235
                3s
                   +0 :              -0.00008492164895
                2p
                   -1 :               0.00078554937452
                   +0 :              -0.00029019549121
                   +1 :               0.00005499478874
                3p
                   -1 :              -0.00035508341029
                   +0 :               0.00012775929742
                   +1 :              -0.00014851331141
                3d
                   -2 :              -0.00004106793228
                   -1 :               0.00001128567210
                   +0 :              -0.00001610013984
                   +1 :              -0.00001595935678
                   +2 :               0.00002225842560
              8 vec=    -2.593388    -10.722714     10.693237   |vec|=   15.363840
                1s
                   +0 :              -0.00011124211275
                2s
                   +0 :               0.00112467568016
                3s
                   +0 :              -0.00021573035927
                2p
                   -1 :              -0.00050761821788
                   +0 :               0.00046219355102
                   +1 :               0.00025160771158
                3p
                   -1 :               0.00004690746997
                   +0 :              -0.00034878380708
                   +1 :              -0.00021898410691
                3d
                   -2 :               0.00002333336329
                   -1 :               0.00001079685236
                   +0 :              -0.00001063704825
                   +1 :              -0.00001662231902
                   +2 :              -0.00001254252923
              9 vec=    -2.593388      7.244802    -13.854306   |vec|=   15.847858
                1s
                   +0 :              -0.00016013790415
                2s
                   +0 :               0.00133222999793
                3s
                   +0 :              -0.00041665208129
                2p
                   -1 :               0.00016922390994
                   +0 :              -0.00058495615460
                   +1 :              -0.00048710435095
                3p
                   -1 :              -0.00015917248919
                   +0 :               0.00041895046480
                   +1 :               0.00028667769520
                3d
                   -2 :               0.00000576124690
                   -1 :               0.00000999148735
                   +0 :              -0.00001422471808
                   +1 :              -0.00002481189021
                   +2 :               0.00001201807510
             10 vec=     5.186775     -6.230835    -13.854306   |vec|=   16.052032
                1s
                   +0 :               0.00013314545644
                2s
                   +0 :              -0.00153157385258
                3s
                   +0 :               0.00011313538578
                2p
                   -1 :              -0.00064192527505
                   +0 :               0.00102111904116
                   +1 :              -0.00070587425528
                3p
                   -1 :              -0.00004468445657
                   +0 :              -0.00006412029958
                   +1 :               0.00002789593065
                3d
                   -2 :              -0.00004597024072
                   -1 :               0.00006451611272
                   +0 :              -0.00002507454364
                   +1 :               0.00007811086879
                   +2 :              -0.00003336929001
             11 vec=   -10.373550     -6.230835     10.693237   |vec|=   16.148658
                1s
                   +0 :              -0.00008065867230
                2s
                   +0 :               0.00079128653283
                3s
                   +0 :              -0.00009030632032
                2p
                   -1 :               0.00001289030897
                   +0 :               0.00010518439641
                   +1 :              -0.00058264206614
                3p
                   -1 :              -0.00010692189258
                   +0 :               0.00006079417542
                   +1 :               0.00020366813412
                3d
                   -2 :               0.00001396925753
                   -1 :              -0.00000794948008
                   +0 :               0.00001574293353
                   +1 :              -0.00003150136976
                   +2 :               0.00000983978895
             12 vec=     5.186775     11.736681     10.693237   |vec|=   16.703222
                1s
                   +0 :               0.00009250780532
                2s
                   +0 :              -0.00112040920811
                3s
                   +0 :               0.00014414512461
                2p
                   -1 :              -0.00080080679769
                   +0 :               0.00012172512419
                   +1 :              -0.00041859788739
                3p
                   -1 :               0.00036986187800
                   +0 :              -0.00001018636653
                   +1 :               0.00020251385453
                3d
                   -2 :               0.00000426744986
                   -1 :               0.00000932684059
                   +0 :               0.00000027040014
                   +1 :               0.00001901111868
                   +2 :              -0.00000192527628
             13 vec=    12.966938     -1.738956     10.693237   |vec|=   16.897064
                1s
                   +0 :              -0.00003252098772
                2s
                   +0 :               0.00035639368024
                3s
                   +0 :              -0.00003210139674
                2p
                   -1 :               0.00006545021386
                   +0 :               0.00009434440767
                   +1 :               0.00014963735735
                3p
                   -1 :              -0.00001204633664
                   +0 :              -0.00000772341618
                   +1 :              -0.00007570525460
                3d
                   -2 :              -0.00000119452271
                   -1 :              -0.00000521732818
                   +0 :               0.00000841675229
                   +1 :               0.00000199015851
                   +2 :               0.00000486272004
             14 vec=   -10.373550      2.752923    -13.854306   |vec|=   17.525151
                1s
                   +0 :              -0.00011749531008
                2s
                   +0 :               0.00120332484632
                3s
                   +0 :              -0.00022386840066
                2p
                   -1 :               0.00019621958941
                   +0 :              -0.00067290668472
                   +1 :              -0.00029358319680
                3p
                   -1 :              -0.00010008521517
                   +0 :               0.00012961588024
                   +1 :               0.00007272297770
                3d
                   -2 :              -0.00001898587429
                   -1 :              -0.00001539773870
                   +0 :               0.00001724071452
                   +1 :               0.00001694002512
                   +2 :               0.00000893010902
             15 vec=    -2.593388    -10.722714    -13.854306   |vec|=   17.709998
                1s
                   +0 :               0.00015578138675
                2s
                   +0 :              -0.00155094276644
                3s
                   +0 :               0.00023191419661
                2p
                   -1 :               0.00029216530416
                   +0 :               0.00025917932083
                   +1 :              -0.00005851807018
                3p
                   -1 :               0.00001522820505
                   +0 :               0.00015874621888
                   +1 :               0.00003883786385
                3d
                   -2 :               0.00002183100165
                   -1 :              -0.00002188178394
                   +0 :              -0.00001867147624
                   +1 :               0.00003424436557
                   +2 :              -0.00000366230852
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 22)  npairs=  14
              1 vec=     2.803193      1.376162     -1.580534   |vec|=    3.499971
                1s
                   +0 :              -0.00694705451650
                2s
                   +0 :               0.08418268051328
                3s
                   +0 :              -0.01034094752044
                2p
                   -1 :               0.02776070294880
                   +0 :              -0.02028166921863
                   +1 :              -0.00217952252226
                3p
                   -1 :              -0.00812196579516
                   +0 :               0.01488010719990
                   +1 :              -0.01453766807092
                3d
                   -2 :               0.01010235038381
                   -1 :              -0.00756062694266
                   +0 :               0.00195055029730
                   +1 :              -0.00392543641544
                   +2 :              -0.00517304637321
              2 vec=    -4.976970     -3.115717     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00072217209803
                2s
                   +0 :               0.00925326049496
                3s
                   +0 :              -0.00062386549630
                2p
                   -1 :               0.00021307442442
                   +0 :              -0.01227613659065
                   +1 :               0.00110994440610
                3p
                   -1 :              -0.00303484663991
                   +0 :               0.00377130069027
                   +1 :              -0.00789122044136
                3d
                   -2 :               0.00123774346693
                   -1 :               0.00068284064726
                   +0 :              -0.00059708305325
                   +1 :               0.00118630853024
                   +2 :               0.00093458396017
              3 vec=    -4.976970      5.868041     -1.580534   |vec|=    7.855076
                1s
                   +0 :              -0.00267010059214
                2s
                   +0 :               0.02498294811534
                3s
                   +0 :              -0.00616343140633
                2p
                   -1 :               0.01216905978851
                   +0 :               0.00475344358178
                   +1 :              -0.01932864212767
                3p
                   -1 :              -0.00360196992332
                   +0 :              -0.00066944279384
                   +1 :               0.00804691814263
                3d
                   -2 :              -0.00064434426093
                   -1 :               0.00026043274882
                   +0 :              -0.00054640617875
                   +1 :              -0.00011189952101
                   +2 :              -0.00026180359645
              4 vec=     2.803193     -7.607596     -1.580534   |vec|=    8.260236
                1s
                   +0 :               0.00125580332952
                2s
                   +0 :              -0.01033335872962
                3s
                   +0 :               0.00179370750157
                2p
                   -1 :               0.00454739686966
                   +0 :              -0.00280431414096
                   +1 :              -0.00305343435811
                3p
                   -1 :              -0.00089117093620
                   +0 :              -0.00037040270653
                   +1 :              -0.00074116647794
                3d
                   -2 :               0.00055813619839
                   -1 :               0.00000424652311
                   +0 :               0.00056591162442
                   +1 :              -0.00029829308100
                   +2 :               0.00003576348009
              5 vec=     2.803193     10.359920     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00018151722588
                2s
                   +0 :               0.00176185371700
                3s
                   +0 :              -0.00033869803997
                2p
                   -1 :               0.00017807650110
                   +0 :               0.00116849055893
                   +1 :              -0.00268572411839
                3p
                   -1 :               0.00085455786258
                   +0 :              -0.00016866330563
                   +1 :               0.00107856584469
                3d
                   -2 :               0.00003067374367
                   -1 :               0.00005068253810
                   +0 :              -0.00018543790724
                   +1 :               0.00010245797372
                   +2 :              -0.00014656076511
              6 vec=    10.583355     -3.115717     -1.580534   |vec|=   11.145097
                1s
                   +0 :              -0.00031621589259
                2s
                   +0 :               0.00318216525259
                3s
                   +0 :              -0.00053445725996
                2p
                   -1 :              -0.00143449170185
                   +0 :               0.00016737968847
                   +1 :               0.00027097645201
                3p
                   -1 :               0.00027095365729
                   +0 :              -0.00038683274359
                   +1 :               0.00034475362055
                3d
                   -2 :              -0.00010574033906
                   -1 :               0.00000389454411
                   +0 :              -0.00001684620046
                   +1 :               0.00000537241563
                   +2 :               0.00002878994023
              7 vec=    10.583355      5.868041     -1.580534   |vec|=   12.204073
                1s
                   +0 :              -0.00017865986895
                2s
                   +0 :               0.00158890351349
                3s
                   +0 :              -0.00041800673257
                2p
                   -1 :              -0.00027854943539
                   +0 :              -0.00028001574744
                   +1 :               0.00100100247002
                3p
                   -1 :              -0.00004381839241
                   +0 :               0.00040299214288
                   +1 :              -0.00044214637516
                3d
                   -2 :              -0.00006873148788
                   -1 :               0.00002009327508
                   +0 :              -0.00006750898189
                   +1 :               0.00003251974675
                   +2 :               0.00002856681753
              8 vec=   -12.757133      1.376162     -1.580534   |vec|=   12.928122
                1s
                   +0 :               0.00010098041785
                2s
                   +0 :              -0.00097234751317
                3s
                   +0 :               0.00020242420054
                2p
                   -1 :              -0.00026216714628
                   +0 :              -0.00051869528356
                   +1 :               0.00207661552728
                3p
                   -1 :               0.00026660518093
                   +0 :               0.00037028635672
                   +1 :              -0.00047375807254
                3d
                   -2 :              -0.00005285814570
                   -1 :              -0.00003958870261
                   +0 :               0.00006929877516
                   +1 :              -0.00007964434937
                   +2 :              -0.00006489978655
              9 vec=    -4.976970    -12.099475     -1.580534   |vec|=   13.178225
                1s
                   +0 :               0.00041242483136
                2s
                   +0 :              -0.00458206900844
                3s
                   +0 :               0.00038824923272
                2p
                   -1 :               0.00400142502960
                   +0 :              -0.00080971659181
                   +1 :               0.00090782814338
                3p
                   -1 :              -0.00083430622183
                   +0 :               0.00042082111173
                   +1 :               0.00038303543048
                3d
                   -2 :              -0.00015333122296
                   -1 :              -0.00009868954005
                   +0 :               0.00002397747355
                   +1 :              -0.00007209458138
                   +2 :               0.00015506640515
             10 vec=   -12.757133     -7.607596     -1.580534   |vec|=   14.937136
                1s
                   +0 :               0.00004741391182
                2s
                   +0 :              -0.00063351312913
                3s
                   +0 :               0.00006872945614
                2p
                   -1 :              -0.00012096789048
                   +0 :               0.00003298912511
                   +1 :               0.00097629076176
                3p
                   -1 :               0.00005052667961
                   +0 :              -0.00004122243521
                   +1 :              -0.00031225117152
                3d
                   -2 :              -0.00000618746648
                   -1 :              -0.00001213995108
                   +0 :              -0.00000538407603
                   +1 :              -0.00002059133092
                   +2 :              -0.00003105959502
             11 vec=    -4.976970     14.851799     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00002444042359
                2s
                   +0 :               0.00004491792271
                3s
                   +0 :              -0.00006605292596
                2p
                   -1 :              -0.00018239371011
                   +0 :               0.00003926880055
                   +1 :              -0.00014939377764
                3p
                   -1 :               0.00010447164363
                   +0 :               0.00013198888891
                   +1 :               0.00016710400290
                3d
                   -2 :               0.00001623968359
                   -1 :              -0.00000121972523
                   +0 :              -0.00001495422888
                   +1 :               0.00000344577452
                   +2 :               0.00000331930878
             12 vec=    10.583355    -12.099475     -1.580534   |vec|=   16.152486
                1s
                   +0 :               0.00006762277558
                2s
                   +0 :              -0.00054994335673
                3s
                   +0 :               0.00015705465746
                2p
                   -1 :               0.00030814344257
                   +0 :              -0.00018036579756
                   +1 :              -0.00023055254333
                3p
                   -1 :              -0.00020807692403
                   +0 :               0.00002871592028
                   +1 :               0.00002152677312
                3d
                   -2 :              -0.00001053438429
                   -1 :              -0.00000900642472
                   +0 :              -0.00000544429833
                   +1 :              -0.00000466895186
                   +2 :              -0.00000695210118
             13 vec=   -12.757133     10.359920     -1.580534   |vec|=   16.509708
                1s
                   +0 :              -0.00002904570442
                2s
                   +0 :               0.00029253425277
                3s
                   +0 :               0.00005909825762
                2p
                   -1 :              -0.00043311837047
                   +0 :               0.00016780049111
                   +1 :              -0.00010111360768
                3p
                   -1 :               0.00026379334691
                   +0 :              -0.00002751366389
                   +1 :              -0.00019316679149
                3d
                   -2 :               0.00000311523294
                   -1 :               0.00001518482178
                   +0 :              -0.00001679056848
                   +1 :               0.00000687659505
                   +2 :               0.00001097507497
             14 vec=     2.803193    -16.591354     -1.580534   |vec|=   16.900562
                1s
                   +0 :               0.00011372942265
                2s
                   +0 :              -0.00119713619866
                3s
                   +0 :               0.00018172144639
                2p
                   -1 :               0.00068021872476
                   +0 :              -0.00018618499614
                   +1 :              -0.00004243508162
                3p
                   -1 :              -0.00012113160857
                   +0 :              -0.00000613594418
                   +1 :               0.00003282768506
                3d
                   -2 :              -0.00000714675477
                   -1 :              -0.00001469408094
                   +0 :               0.00001910662732
                   +1 :              -0.00000798660524
                   +2 :               0.00000661994404
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805     -3.115717     -1.580534   |vec|=    3.499971
                1s
                   +0 :               0.01187586067686
                2s
                   +0 :              -0.13601852867034
                3s
                   +0 :               0.02078163532021
                2p
                   -1 :               0.01230677278596
                   +0 :               0.01417066361119
                   +1 :              -0.00958339129338
                3p
                   -1 :              -0.02484927722674
                   +0 :              -0.01171693146574
                   +1 :               0.00854945767948
                3d
                   -2 :              -0.00229924777360
                   -1 :              -0.01059509302315
                   +0 :              -0.00345652125273
                   +1 :              -0.00220688773384
                   +2 :               0.00860353699340
              2 vec=    -0.209805      5.868041     -1.580534   |vec|=    6.080790
                1s
                   +0 :               0.00080730948227
                2s
                   +0 :              -0.01081796703653
                3s
                   +0 :              -0.00083235203949
                2p
                   -1 :              -0.00228893250928
                   +0 :               0.01490029979607
                   +1 :               0.01671181485391
                3p
                   -1 :              -0.01040342969341
                   +0 :              -0.00354410677495
                   +1 :              -0.00924534080324
                3d
                   -2 :               0.00066883034119
                   -1 :               0.00186710508557
                   +0 :               0.00093571125283
                   +1 :              -0.00044968754374
                   +2 :               0.00211856163099
              3 vec=     7.570358      1.376162     -1.580534   |vec|=    7.855076
                1s
                   +0 :               0.00104457728395
                2s
                   +0 :              -0.01087796693360
                3s
                   +0 :               0.00474998233892
                2p
                   -1 :              -0.00719380419458
                   +0 :               0.00488446325699
                   +1 :              -0.01049877485411
                3p
                   -1 :               0.00208213824788
                   +0 :              -0.00079542868717
                   +1 :               0.00625588100819
                3d
                   -2 :              -0.00055652916354
                   -1 :              -0.00026145508440
                   +0 :               0.00006709231161
                   +1 :               0.00054278332061
                   +2 :              -0.00012092907904
              4 vec=    -7.989968      1.376162     -1.580534   |vec|=    8.260236
                1s
                   +0 :               0.00081422050138
                2s
                   +0 :              -0.00944459311817
                3s
                   +0 :               0.00092055419296
                2p
                   -1 :              -0.00346404593572
                   +0 :              -0.00485470980459
                   +1 :               0.00871167303597
                3p
                   -1 :               0.00037685850547
                   +0 :               0.00513105363850
                   +1 :              -0.00110624533302
                3d
                   -2 :               0.00036135133835
                   -1 :               0.00012632437465
                   +0 :               0.00012756500718
                   +1 :              -0.00023184401216
                   +2 :              -0.00029998313710
              5 vec=     7.570358     -7.607596     -1.580534   |vec|=   10.848222
                1s
                   +0 :               0.00026646827118
                2s
                   +0 :              -0.00262117369544
                3s
                   +0 :               0.00044830598590
                2p
                   -1 :              -0.00181011836079
                   +0 :              -0.00019296372816
                   +1 :              -0.00210413318786
                3p
                   -1 :               0.00117952704339
                   +0 :              -0.00030788689542
                   +1 :               0.00038292720031
                3d
                   -2 :               0.00010410343772
                   -1 :               0.00005912165717
                   +0 :               0.00011367689663
                   +1 :              -0.00008682678593
                   +2 :              -0.00003342006154
              6 vec=    -7.989968     -7.607596     -1.580534   |vec|=   11.145097
                1s
                   +0 :               0.00030577213122
                2s
                   +0 :              -0.00296969922195
                3s
                   +0 :               0.00046920794221
                2p
                   -1 :              -0.00249399141488
                   +0 :              -0.00095122476012
                   +1 :               0.00259415237603
                3p
                   -1 :               0.00119265690325
                   +0 :               0.00056055778830
                   +1 :              -0.00051580466511
                3d
                   -2 :              -0.00002921242854
                   -1 :               0.00007204032702
                   +0 :               0.00006904151826
                   +1 :              -0.00001335754418
                   +2 :              -0.00010365760166
              7 vec=    -0.209805    -12.099475     -1.580534   |vec|=   12.204073
                1s
                   +0 :               0.00018303706712
                2s
                   +0 :              -0.00208728703952
                3s
                   +0 :               0.00002711447549
                2p
                   -1 :               0.00081165723476
                   +0 :              -0.00045855221693
                   +1 :               0.00041726024766
                3p
                   -1 :               0.00017949635474
                   +0 :               0.00003434495720
                   +1 :              -0.00056992675558
                3d
                   -2 :               0.00007299572770
                   -1 :               0.00001752290870
                   +0 :               0.00017843551503
                   +1 :              -0.00003549422040
                   +2 :               0.00008142715620
              8 vec=     7.570358     10.359920     -1.580534   |vec|=   12.928122
                1s
                   +0 :              -0.00043922873143
                2s
                   +0 :               0.00468400989329
                3s
                   +0 :              -0.00081894056011
                2p
                   -1 :               0.00390179515291
                   +0 :               0.00048933763706
                   +1 :               0.00262808075638
                3p
                   -1 :              -0.00066692320057
                   +0 :              -0.00014195609128
                   +1 :              -0.00098721532925
                3d
                   -2 :               0.00009885276293
                   -1 :              -0.00013570540827
                   +0 :              -0.00007531774772
                   +1 :              -0.00001597141164
                   +2 :              -0.00010463323839
              9 vec=    -7.989968     10.359920     -1.580534   |vec|=   13.178225
                1s
                   +0 :              -0.00015621875469
                2s
                   +0 :               0.00231992545551
                3s
                   +0 :               0.00014093694197
                2p
                   -1 :               0.00242924632455
                   +0 :               0.00034475136196
                   +1 :              -0.00216820157699
                3p
                   -1 :               0.00005679610491
                   +0 :              -0.00009286929724
                   +1 :               0.00033749023067
                3d
                   -2 :              -0.00023058036578
                   -1 :              -0.00003795529352
                   +0 :              -0.00009328803637
                   +1 :               0.00002664789981
                   +2 :              -0.00008918437681
             10 vec=    -0.209805     14.851799     -1.580534   |vec|=   14.937136
                1s
                   +0 :              -0.00005490339957
                2s
                   +0 :               0.00061067582908
                3s
                   +0 :              -0.00011301501050
                2p
                   -1 :               0.00058368202520
                   +0 :               0.00000275452537
                   +1 :              -0.00009199072801
                3p
                   -1 :              -0.00016542348674
                   +0 :               0.00012888835193
                   +1 :              -0.00004601827824
                3d
                   -2 :               0.00000003391423
                   -1 :              -0.00000484388101
                   +0 :               0.00000652511456
                   +1 :               0.00000177359518
                   +2 :              -0.00001414069111
             11 vec=    15.350520     -3.115717     -1.580534   |vec|=   15.743070
                1s
                   +0 :              -0.00006366675912
                2s
                   +0 :               0.00064361034402
                3s
                   +0 :              -0.00012412430207
                2p
                   -1 :              -0.00005518103587
                   +0 :              -0.00001049907965
                   +1 :               0.00049985042602
                3p
                   -1 :               0.00000655199309
                   +0 :               0.00001123396023
                   +1 :              -0.00021329652455
                3d
                   -2 :              -0.00000434608097
                   -1 :              -0.00000259906414
                   +0 :              -0.00000216532416
                   +1 :               0.00000351705253
                   +2 :               0.00000120549980
             12 vec=   -15.770130     -3.115717     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00000445088406
                2s
                   +0 :               0.00002526403988
                3s
                   +0 :              -0.00000545242140
                2p
                   -1 :               0.00007782906891
                   +0 :              -0.00008428137793
                   +1 :               0.00010502188981
                3p
                   -1 :              -0.00009750447873
                   +0 :              -0.00000155534829
                   +1 :              -0.00011175091051
                3d
                   -2 :               0.00000499017704
                   -1 :               0.00000554462546
                   +0 :               0.00000113996636
                   +1 :              -0.00000405500651
                   +2 :               0.00001648324401
             13 vec=    15.350520      5.868041     -1.580534   |vec|=   16.509708
                1s
                   +0 :              -0.00005372803351
                2s
                   +0 :               0.00069341140163
                3s
                   +0 :              -0.00006653437209
                2p
                   -1 :               0.00031514350577
                   +0 :               0.00000819391169
                   +1 :               0.00035487547626
                3p
                   -1 :              -0.00011575522404
                   +0 :               0.00004619268729
                   +1 :              -0.00007815933799
                3d
                   -2 :              -0.00000861687320
                   -1 :              -0.00001012258491
                   +0 :              -0.00000967361389
                   +1 :               0.00000750990077
                   +2 :              -0.00000049270473
             14 vec=   -15.770130      5.868041     -1.580534   |vec|=   16.900562
                1s
                   +0 :              -0.00006334008738
                2s
                   +0 :               0.00061490391940
                3s
                   +0 :              -0.00014981528387
                2p
                   -1 :              -0.00005857461499
                   +0 :               0.00012436649966
                   +1 :              -0.00031477212205
                3p
                   -1 :              -0.00002512587576
                   +0 :              -0.00006981747141
                   +1 :               0.00004552190636
                3d
                   -2 :               0.00000966924980
                   -1 :              -0.00001020544013
                   +0 :              -0.00000151264560
                   +1 :               0.00000412192361
                   +2 :               0.00000706235286
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 24)  npairs=  14
              1 vec=    -2.593388      1.739555     -1.580534   |vec|=    3.499971
                1s
                   +0 :              -0.00492880616036
                2s
                   +0 :               0.05183584815706
                3s
                   +0 :              -0.01044068779976
                2p
                   -1 :               0.01362179942530
                   +0 :               0.00611100560744
                   +1 :               0.00750203920151
                3p
                   -1 :               0.00350841588926
                   +0 :              -0.00316317573416
                   +1 :               0.01149217144104
                3d
                   -2 :              -0.00802931986774
                   -1 :              -0.00758955316700
                   +0 :               0.00150597095543
                   +1 :              -0.00043823736201
                   +2 :              -0.00902485374175
              2 vec=     5.186775     -2.752324     -1.580534   |vec|=    6.080790
                1s
                   +0 :              -0.00008513738424
                2s
                   +0 :               0.00156470654158
                3s
                   +0 :               0.00145621753579
                2p
                   -1 :               0.01247368711192
                   +0 :              -0.00262416320542
                   +1 :               0.01107768119503
                3p
                   -1 :              -0.00789184079983
                   +0 :              -0.00022719391532
                   +1 :              -0.00218690050808
                3d
                   -2 :              -0.00007206783639
                   -1 :              -0.00014184129414
                   +0 :              -0.00033862819958
                   +1 :              -0.00065729259512
                   +2 :               0.00103387957614
              3 vec=    -2.593388     -7.244203     -1.580534   |vec|=    7.855076
                1s
                   +0 :               0.00162552330819
                2s
                   +0 :              -0.01410498118174
                3s
                   +0 :               0.00141344906741
                2p
                   -1 :               0.01013451716792
                   +0 :              -0.00963790683878
                   +1 :               0.00185502360849
                3p
                   -1 :              -0.00231099949526
                   +0 :               0.00146487148101
                   +1 :               0.00222881750129
                3d
                   -2 :              -0.00072243762306
                   -1 :               0.00056646080448
                   +0 :               0.00047931386714
                   +1 :               0.00066741002130
                   +2 :              -0.00011531623257
              4 vec=     5.186775      6.231434     -1.580534   |vec|=    8.260236
                1s
                   +0 :              -0.00207002383090
                2s
                   +0 :               0.01977795184779
                3s
                   +0 :              -0.00271426169453
                2p
                   -1 :               0.01073055734849
                   +0 :               0.00765902394555
                   +1 :               0.00976723232936
                3p
                   -1 :              -0.00057332377825
                   +0 :              -0.00476065093198
                   +1 :              -0.00202185161471
                3d
                   -2 :               0.00075050886809
                   -1 :               0.00012283203055
                   +0 :              -0.00069347663160
                   +1 :              -0.00037079106725
                   +2 :              -0.00030253051638
              5 vec=   -10.373550     -2.752324     -1.580534   |vec|=   10.848222
                1s
                   +0 :              -0.00008495104530
                2s
                   +0 :               0.00085931997844
                3s
                   +0 :              -0.00010960794593
                2p
                   -1 :              -0.00031234840940
                   +0 :              -0.00097552683077
                   +1 :              -0.00067310139506
                3p
                   -1 :               0.00041460171510
                   +0 :               0.00047655020105
                   +1 :               0.00044931495647
                3d
                   -2 :              -0.00003059413280
                   -1 :              -0.00010902331277
                   +0 :               0.00007176101062
                   +1 :               0.00000050710239
                   +2 :              -0.00002639843288
              6 vec=    -2.593388     10.723313     -1.580534   |vec|=   11.145097
                1s
                   +0 :               0.00001044376136
                2s
                   +0 :              -0.00021246603065
                3s
                   +0 :               0.00006524931775
                2p
                   -1 :               0.00004768780930
                   +0 :               0.00078384507165
                   +1 :               0.00235011808081
                3p
                   -1 :              -0.00001346005655
                   +0 :              -0.00017372504471
                   +1 :              -0.00088374394803
                3d
                   -2 :               0.00004722655214
                   -1 :               0.00002174681456
                   +0 :              -0.00005219531780
                   +1 :              -0.00006300854344
                   +2 :               0.00002884128389
              7 vec=   -10.373550      6.231434     -1.580534   |vec|=   12.204073
                1s
                   +0 :              -0.00000437719817
                2s
                   +0 :               0.00049838352603
                3s
                   +0 :               0.00039089225708
                2p
                   -1 :              -0.00023898169414
                   +0 :               0.00073856796438
                   +1 :              -0.00023501531288
                3p
                   -1 :              -0.00004282207439
                   +0 :              -0.00043733710008
                   +1 :              -0.00069943280944
                3d
                   -2 :              -0.00004364627622
                   -1 :              -0.00004009373148
                   +0 :              -0.00011092653315
                   +1 :               0.00000073876575
                   +2 :               0.00017773635597
              8 vec=     5.186775    -11.736082     -1.580534   |vec|=   12.928122
                1s
                   +0 :               0.00033824831357
                2s
                   +0 :              -0.00371166238012
                3s
                   +0 :               0.00061651635958
                2p
                   -1 :               0.00229739690102
                   +0 :               0.00002935764651
                   +1 :              -0.00125374898966
                3p
                   -1 :              -0.00064482603789
                   +0 :              -0.00022833026544
                   +1 :               0.00007797259264
                3d
                   -2 :               0.00005740748729
                   -1 :              -0.00003250467384
                   +0 :               0.00000601897255
                   +1 :               0.00003543162832
                   +2 :               0.00004661898844
              9 vec=    12.966938      1.739555     -1.580534   |vec|=   13.178225
                1s
                   +0 :              -0.00025620607667
                2s
                   +0 :               0.00226214355292
                3s
                   +0 :              -0.00052918617470
                2p
                   -1 :               0.00055141579644
                   +0 :               0.00046496522984
                   +1 :               0.00073135998106
                3p
                   -1 :              -0.00042819835851
                   +0 :              -0.00032795181450
                   +1 :              -0.00041145442175
                3d
                   -2 :               0.00001957158770
                   -1 :               0.00001719108036
                   +0 :               0.00006931056282
                   +1 :              -0.00007532074115
                   +2 :              -0.00003395870593
             10 vec=    12.966938     -7.244203     -1.580534   |vec|=   14.937136
                1s
                   +0 :               0.00000748948775
                2s
                   +0 :               0.00002283730005
                3s
                   +0 :               0.00004428555436
                2p
                   -1 :              -0.00069380184118
                   +0 :              -0.00003574365048
                   +1 :              -0.00016809471088
                3p
                   -1 :               0.00017311604534
                   +0 :              -0.00008766591672
                   +1 :               0.00000788360513
                3d
                   -2 :              -0.00001772897671
                   -1 :               0.00001087667811
                   +0 :              -0.00000114103853
                   +1 :              -0.00001572744990
                   +2 :              -0.00001721226932
             11 vec=   -10.373550    -11.736082     -1.580534   |vec|=   15.743070
                1s
                   +0 :               0.00008810718271
                2s
                   +0 :              -0.00068852826673
                3s
                   +0 :               0.00019017722802
                2p
                   -1 :               0.00044347460064
                   +0 :              -0.00002876972090
                   +1 :               0.00006505891661
                3p
                   -1 :              -0.00027392470203
                   +0 :              -0.00014322284914
                   +1 :               0.00006170464407
                3d
                   -2 :               0.00000777741359
                   -1 :              -0.00000184766612
                   +0 :               0.00001711955303
                   +1 :               0.00000467595607
                   +2 :              -0.00001556539077
             12 vec=     5.186775     15.215192     -1.580534   |vec|=   16.152486
                1s
                   +0 :              -0.00006317189152
                2s
                   +0 :               0.00052467931685
                3s
                   +0 :              -0.00015160223606
                2p
                   -1 :               0.00048360223970
                   +0 :               0.00026464717549
                   +1 :               0.00013669277168
                3p
                   -1 :              -0.00026821256117
                   +0 :              -0.00002716057199
                   +1 :              -0.00014087061528
                3d
                   -2 :              -0.00002306770791
                   -1 :              -0.00000119920736
                   +0 :               0.00000430433197
                   +1 :              -0.00001696355829
                   +2 :               0.00001821023590
             13 vec=    -2.593388    -16.227961     -1.580534   |vec|=   16.509708
                1s
                   +0 :               0.00008277373793
                2s
                   +0 :              -0.00098594565440
                3s
                   +0 :               0.00000743611447
                2p
                   -1 :               0.00033591069820
                   +0 :              -0.00017599440280
                   +1 :              -0.00052113285922
                3p
                   -1 :               0.00017361843780
                   +0 :              -0.00001867902341
                   +1 :               0.00019303563967
                3d
                   -2 :               0.00000718056842
                   -1 :               0.00000307957728
                   +0 :               0.00002646418237
                   +1 :               0.00002911010500
                   +2 :              -0.00000491911683
             14 vec=    12.966938     10.723313     -1.580534   |vec|=   16.900562
                1s
                   +0 :              -0.00005038933527
                2s
                   +0 :               0.00058223227926
                3s
                   +0 :              -0.00003190616252
                2p
                   -1 :               0.00007497125948
                   +0 :               0.00006181849648
                   +1 :               0.00046121019854
                3p
                   -1 :              -0.00006213522404
                   +0 :               0.00007595341559
                   +1 :              -0.00004396860781
                3d
                   -2 :               0.00000087811023
                   -1 :              -0.00000196346695
                   +0 :              -0.00001759398171
                   +1 :              -0.00000581961778
                   +2 :               0.00002140423560
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 25)  npairs=  14
              1 vec=    -2.803193     -1.376162     -5.671791   |vec|=    6.474637
                1s
                   +0 :               0.00063615152851
                2s
                   +0 :              -0.00729777875381
                3s
                   +0 :               0.00089230017283
                2p
                   -1 :              -0.00926479511433
                   +0 :               0.00520795912234
                   +1 :               0.00401795992847
                3p
                   -1 :               0.00346904063738
                   +0 :              -0.00252795690630
                   +1 :              -0.00347145200088
                3d
                   -2 :               0.00032476795129
                   -1 :              -0.00008892543491
                   +0 :              -0.00003121485626
                   +1 :               0.00035843094531
                   +2 :               0.00017189335707
              2 vec=     4.976970      3.115717     -5.671791   |vec|=    8.163770
                1s
                   +0 :              -0.00275678140786
                2s
                   +0 :               0.02634787097669
                3s
                   +0 :              -0.00447836012582
                2p
                   -1 :              -0.00328526627639
                   +0 :              -0.01426619607852
                   +1 :               0.00938104662528
                3p
                   -1 :               0.00237555196035
                   +0 :               0.00177543267310
                   +1 :              -0.00237095443169
                3d
                   -2 :               0.00041932872567
                   -1 :              -0.00058894784106
                   +0 :               0.00099608795841
                   +1 :              -0.00051602453095
                   +2 :               0.00061802093494
              3 vec=     4.976970     -5.868041     -5.671791   |vec|=    9.558941
                1s
                   +0 :              -0.00002777871904
                2s
                   +0 :              -0.00149993252570
                3s
                   +0 :              -0.00080790880571
                2p
                   -1 :              -0.00062927601115
                   +0 :               0.00088251886179
                   +1 :              -0.00204621125737
                3p
                   -1 :               0.00029443012708
                   +0 :              -0.00033852880941
                   +1 :               0.00025814490357
                3d
                   -2 :              -0.00003108827459
                   -1 :              -0.00020256285156
                   +0 :              -0.00012172772317
                   +1 :              -0.00010134259907
                   +2 :               0.00009243418408
              4 vec=    -2.803193      7.607596     -5.671791   |vec|=    9.894576
                1s
                   +0 :               0.00009001877581
                2s
                   +0 :               0.00155898973343
                3s
                   +0 :               0.00016423921828
                2p
                   -1 :               0.00371831486068
                   +0 :              -0.00240873997286
                   +1 :              -0.00309094050682
                3p
                   -1 :              -0.00118177254966
                   +0 :               0.00201323507094
                   +1 :               0.00309895360207
                3d
                   -2 :              -0.00002483904125
                   -1 :              -0.00000777763180
                   +0 :              -0.00020624824631
                   +1 :              -0.00005105745844
                   +2 :              -0.00015737893717
              5 vec=    -2.803193    -10.359920     -5.671791   |vec|=   12.138989
                1s
                   +0 :               0.00010784173545
                2s
                   +0 :              -0.00282018540996
                3s
                   +0 :              -0.00033974463826
                2p
                   -1 :               0.00005689886081
                   +0 :               0.00009003508818
                   +1 :               0.00160357835418
                3p
                   -1 :               0.00058167895698
                   +0 :              -0.00001426550548
                   +1 :              -0.00064574639396
                3d
                   -2 :              -0.00000980705616
                   -1 :               0.00003829972857
                   +0 :              -0.00006276005494
                   +1 :               0.00009052713896
                   +2 :              -0.00004803273387
              6 vec=   -10.583355      3.115717     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00001655221543
                2s
                   +0 :               0.00073948933863
                3s
                   +0 :               0.00012128722080
                2p
                   -1 :              -0.00121122045371
                   +0 :               0.00130973558990
                   +1 :              -0.00075099427965
                3p
                   -1 :               0.00086585356077
                   +0 :              -0.00051779236127
                   +1 :              -0.00019992552568
                3d
                   -2 :              -0.00008878268107
                   -1 :              -0.00000665896499
                   +0 :              -0.00007091697580
                   +1 :              -0.00000938498416
                   +2 :               0.00010193938285
              7 vec=   -10.583355     -5.868041     -5.671791   |vec|=   13.364525
                1s
                   +0 :               0.00010594680212
                2s
                   +0 :              -0.00092305189894
                3s
                   +0 :               0.00032306430036
                2p
                   -1 :              -0.00044119154043
                   +0 :               0.00001895286555
                   +1 :               0.00051099322132
                3p
                   -1 :               0.00006542660276
                   +0 :              -0.00016144433635
                   +1 :              -0.00023450397862
                3d
                   -2 :               0.00001234600178
                   -1 :               0.00002809919071
                   +0 :              -0.00000782436549
                   +1 :               0.00001165786062
                   +2 :               0.00000629764744
              8 vec=    12.757133     -1.376162     -5.671791   |vec|=   14.028809
                1s
                   +0 :              -0.00013689001260
                2s
                   +0 :               0.00131410808339
                3s
                   +0 :              -0.00022332695308
                2p
                   -1 :              -0.00021440151864
                   +0 :              -0.00012370836345
                   +1 :               0.00004991976495
                3p
                   -1 :              -0.00008634523228
                   +0 :              -0.00003682149589
                   +1 :               0.00009181732905
                3d
                   -2 :              -0.00001979297114
                   -1 :               0.00001676640134
                   +0 :              -0.00003726326153
                   +1 :              -0.00002266109632
                   +2 :               0.00000218320576
              9 vec=     4.976970     12.099475     -5.671791   |vec|=   14.259619
                1s
                   +0 :              -0.00009797743018
                2s
                   +0 :               0.00100320406957
                3s
                   +0 :              -0.00019355917328
                2p
                   -1 :               0.00050705278146
                   +0 :               0.00021334590646
                   +1 :              -0.00003437340286
                3p
                   -1 :              -0.00000621554757
                   +0 :              -0.00004188329635
                   +1 :              -0.00003531235953
                3d
                   -2 :               0.00000591906324
                   -1 :               0.00003542225916
                   +0 :              -0.00004280997949
                   +1 :               0.00001633821127
                   +2 :              -0.00000618504019
             10 vec=    12.757133      7.607596     -5.671791   |vec|=   15.899345
                1s
                   +0 :              -0.00004944243917
                2s
                   +0 :               0.00064729541123
                3s
                   +0 :              -0.00004603121002
                2p
                   -1 :              -0.00003971014271
                   +0 :               0.00016309649599
                   +1 :               0.00028130608126
                3p
                   -1 :               0.00006040335305
                   +0 :              -0.00010792802513
                   +1 :              -0.00005958312222
                3d
                   -2 :               0.00000139460031
                   -1 :               0.00001243074309
                   +0 :              -0.00000185475928
                   +1 :               0.00000385793838
                   +2 :              -0.00000332549710
             11 vec=     4.976970    -14.851799     -5.671791   |vec|=   16.658793
                1s
                   +0 :               0.00017934359622
                2s
                   +0 :              -0.00191598081287
                3s
                   +0 :               0.00028369079378
                2p
                   -1 :               0.00089672976101
                   +0 :               0.00008683067169
                   +1 :              -0.00056031400042
                3p
                   -1 :              -0.00021980336398
                   +0 :               0.00011443464112
                   +1 :               0.00024080149287
                3d
                   -2 :               0.00000461138034
                   -1 :              -0.00003700230263
                   +0 :              -0.00000913065018
                   +1 :              -0.00000436722219
                   +2 :               0.00003028507743
             12 vec=   -10.583355     12.099475     -5.671791   |vec|=   17.046229
                1s
                   +0 :              -0.00005108760869
                2s
                   +0 :               0.00054823293339
                3s
                   +0 :              -0.00006924323452
                2p
                   -1 :              -0.00020541503590
                   +0 :              -0.00011197996731
                   +1 :               0.00007227322472
                3p
                   -1 :               0.00016421971470
                   +0 :              -0.00003897087176
                   +1 :              -0.00014357801340
                3d
                   -2 :               0.00000847743015
                   -1 :              -0.00000092651614
                   +0 :               0.00002738244411
                   +1 :               0.00000793868274
                   +2 :               0.00000042760411
             13 vec=    12.757133    -10.359920     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00001002628308
                2s
                   +0 :              -0.00015827826868
                3s
                   +0 :               0.00000068282164
                2p
                   -1 :              -0.00009893967421
                   +0 :              -0.00001064947898
                   +1 :              -0.00013772433800
                3p
                   -1 :               0.00006150927007
                   +0 :              -0.00003435284946
                   +1 :               0.00000256782986
                3d
                   -2 :               0.00000113021790
                   -1 :              -0.00000770209795
                   +0 :               0.00001092867527
                   +1 :              -0.00000282078546
                   +2 :               0.00000258000318
             14 vec=    -2.803193     16.591354     -5.671791   |vec|=   17.756693
                1s
                   +0 :              -0.00003984056396
                2s
                   +0 :               0.00035930761900
                3s
                   +0 :              -0.00006754579685
                2p
                   -1 :               0.00020109587192
                   +0 :              -0.00005275076606
                   +1 :              -0.00007394203847
                3p
                   -1 :              -0.00009433065260
                   +0 :               0.00009374480374
                   +1 :               0.00004268977517
                3d
                   -2 :               0.00000522474260
                   -1 :               0.00000854894968
                   +0 :              -0.00000293518047
                   +1 :               0.00000843554615
                   +2 :               0.00000659087032
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 26)  npairs=  14
              1 vec=     0.209805      3.115717     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00029508054280
                2s
                   +0 :               0.00464752693945
                3s
                   +0 :               0.00077160282473
                2p
                   -1 :               0.00121106961502
                   +0 :              -0.00329746043951
                   +1 :               0.00791595166855
                3p
                   -1 :              -0.00355603382656
                   +0 :               0.00140702962076
                   +1 :              -0.00609311306136
                3d
                   -2 :              -0.00020665519028
                   -1 :               0.00037833336314
                   +0 :              -0.00013559559393
                   +1 :               0.00036055822443
                   +2 :               0.00063458586907
              2 vec=     0.209805     -5.868041     -5.671791   |vec|=    8.163770
                1s
                   +0 :               0.00372596491498
                2s
                   +0 :              -0.03486399112284
                3s
                   +0 :               0.00601715007985
                2p
                   -1 :               0.00931605940372
                   +0 :               0.01756510014581
                   +1 :              -0.00189663964260
                3p
                   -1 :              -0.00182298334077
                   +0 :              -0.00286240611348
                   +1 :              -0.00153932387685
                3d
                   -2 :               0.00025933248469
                   -1 :              -0.00086083708607
                   +0 :              -0.00125357642477
                   +1 :               0.00051127151576
                   +2 :               0.00063468732976
              3 vec=    -7.570358     -1.376162     -5.671791   |vec|=    9.558941
                1s
                   +0 :               0.00005981102082
                2s
                   +0 :              -0.00144140030985
                3s
                   +0 :               0.00033288357516
                2p
                   -1 :               0.00090938543476
                   +0 :               0.00348191669534
                   +1 :               0.00078950610851
                3p
                   -1 :              -0.00076157533432
                   +0 :              -0.00206185857123
                   +1 :               0.00039244705431
                3d
                   -2 :              -0.00009230595015
                   -1 :              -0.00003146002828
                   +0 :               0.00004337176950
                   +1 :               0.00003172160822
                   +2 :              -0.00024654023155
              4 vec=     7.989968     -1.376162     -5.671791   |vec|=    9.894576
                1s
                   +0 :               0.00004521755164
                2s
                   +0 :               0.00019587423199
                3s
                   +0 :               0.00076303083334
                2p
                   -1 :              -0.00019027314735
                   +0 :               0.00030566969226
                   +1 :              -0.00129265603085
                3p
                   -1 :              -0.00021493631080
                   +0 :              -0.00093212791729
                   +1 :               0.00114580968410
                3d
                   -2 :              -0.00008538142262
                   -1 :              -0.00000644747293
                   +0 :               0.00014693674923
                   +1 :              -0.00005875811463
                   +2 :              -0.00003187809916
              5 vec=    -7.570358      7.607596     -5.671791   |vec|=   12.138989
                1s
                   +0 :              -0.00000253696836
                2s
                   +0 :               0.00096425445107
                3s
                   +0 :               0.00033452587589
                2p
                   -1 :               0.00028413929812
                   +0 :              -0.00119275459477
                   +1 :               0.00078801963826
                3p
                   -1 :              -0.00027993479892
                   +0 :              -0.00004758373898
                   +1 :              -0.00075892082325
                3d
                   -2 :               0.00010953486388
                   -1 :              -0.00000509162643
                   +0 :               0.00014759981249
                   +1 :               0.00004288285945
                   +2 :               0.00002345155746
              6 vec=     7.989968      7.607596     -5.671791   |vec|=   12.405012
                1s
                   +0 :              -0.00040869343086
                2s
                   +0 :               0.00410050697249
                3s
                   +0 :              -0.00075715383082
                2p
                   -1 :               0.00120320032927
                   +0 :              -0.00007271776566
                   +1 :               0.00093972016503
                3p
                   -1 :              -0.00022233129134
                   +0 :              -0.00002454695537
                   +1 :              -0.00017256703019
                3d
                   -2 :              -0.00004741750281
                   -1 :               0.00004034782512
                   +0 :               0.00001239647754
                   +1 :               0.00005376050435
                   +2 :              -0.00004159225756
              7 vec=     0.209805     12.099475     -5.671791   |vec|=   13.364525
                1s
                   +0 :              -0.00005419208951
                2s
                   +0 :               0.00073946404556
                3s
                   +0 :              -0.00008082696348
                2p
                   -1 :               0.00024435955522
                   +0 :               0.00016093415897
                   +1 :               0.00012887939885
                3p
                   -1 :              -0.00000385053216
                   +0 :               0.00002672568666
                   +1 :              -0.00018697241673
                3d
                   -2 :              -0.00001719756033
                   -1 :               0.00003026682714
                   +0 :               0.00000616307650
                   +1 :               0.00000802465251
                   +2 :               0.00001014340681
              8 vec=    -7.570358    -10.359920     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00006332866903
                2s
                   +0 :              -0.00120676483731
                3s
                   +0 :              -0.00018080003642
                2p
                   -1 :              -0.00004631151296
                   +0 :               0.00021252542066
                   +1 :               0.00025469614259
                3p
                   -1 :               0.00043971422071
                   +0 :              -0.00014246624031
                   +1 :               0.00046079339345
                3d
                   -2 :              -0.00008297172359
                   -1 :               0.00006052567121
                   +0 :               0.00012528219053
                   +1 :              -0.00003210461229
                   +2 :               0.00000314655456
              9 vec=     7.989968    -10.359920     -5.671791   |vec|=   14.259619
                1s
                   +0 :               0.00014003174223
                2s
                   +0 :              -0.00121068409314
                3s
                   +0 :               0.00025292317724
                2p
                   -1 :               0.00001768914913
                   +0 :              -0.00000906847223
                   +1 :              -0.00079444278466
                3p
                   -1 :              -0.00008364422968
                   +0 :              -0.00001201654463
                   +1 :               0.00029488242487
                3d
                   -2 :              -0.00000537528400
                   -1 :               0.00000440854725
                   +0 :               0.00003373921675
                   +1 :              -0.00000385186019
                   +2 :              -0.00001399914186
             10 vec=     0.209805    -14.851799     -5.671791   |vec|=   15.899345
                1s
                   +0 :               0.00015335028055
                2s
                   +0 :              -0.00152475116946
                3s
                   +0 :               0.00025652203953
                2p
                   -1 :               0.00048559844866
                   +0 :               0.00006655939733
                   +1 :               0.00044742904647
                3p
                   -1 :              -0.00012725223329
                   +0 :               0.00005576730768
                   +1 :              -0.00022961499165
                3d
                   -2 :              -0.00000583755639
                   -1 :               0.00001477477195
                   +0 :              -0.00000772219850
                   +1 :              -0.00001297638696
                   +2 :               0.00000483077752
             11 vec=   -15.350520      3.115717     -5.671791   |vec|=   16.658793
                1s
                   +0 :              -0.00008031414201
                2s
                   +0 :               0.00076440827281
                3s
                   +0 :              -0.00018102609975
                2p
                   -1 :              -0.00008154047881
                   +0 :              -0.00014849626505
                   +1 :              -0.00052404898033
                3p
                   -1 :               0.00002942007507
                   +0 :               0.00012441062275
                   +1 :               0.00017835182856
                3d
                   -2 :              -0.00000823378329
                   -1 :               0.00000113897047
                   +0 :              -0.00001222873038
                   +1 :               0.00000415542569
                   +2 :               0.00001196654961
             12 vec=    15.770130      3.115717     -5.671791   |vec|=   17.046229
                1s
                   +0 :              -0.00010643632852
                2s
                   +0 :               0.00104608545144
                3s
                   +0 :              -0.00018578199752
                2p
                   -1 :               0.00001733503841
                   +0 :              -0.00002045781270
                   +1 :               0.00044172096289
                3p
                   -1 :               0.00001833339968
                   +0 :              -0.00002445973484
                   +1 :              -0.00009837515912
                3d
                   -2 :               0.00000192370439
                   -1 :              -0.00000794579668
                   +0 :              -0.00000006186312
                   +1 :               0.00000291289085
                   +2 :               0.00000591644905
             13 vec=   -15.350520     -5.868041     -5.671791   |vec|=   17.385097
                1s
                   +0 :               0.00001821680174
                2s
                   +0 :              -0.00021430287371
                3s
                   +0 :               0.00001354990229
                2p
                   -1 :              -0.00007034523318
                   +0 :              -0.00002268250779
                   +1 :               0.00011052102660
                3p
                   -1 :               0.00001787341247
                   +0 :               0.00004974570560
                   +1 :              -0.00002921772116
                3d
                   -2 :               0.00000312568096
                   -1 :               0.00000546235883
                   +0 :              -0.00000995532353
                   +1 :              -0.00000351856811
                   +2 :               0.00000133755223
             14 vec=    15.770130     -5.868041     -5.671791   |vec|=   17.756693
                1s
                   +0 :              -0.00000226561403
                2s
                   +0 :               0.00008051016812
                3s
                   +0 :               0.00000689144353
                2p
                   -1 :              -0.00013762390243
                   +0 :               0.00005607729678
                   +1 :              -0.00007485736128
                3p
                   -1 :               0.00000031378605
                   +0 :              -0.00005710504864
                   +1 :               0.00006317056954
                3d
                   -2 :              -0.00000357110013
                   -1 :              -0.00000370682938
                   +0 :              -0.00000208277018
                   +1 :               0.00000068606979
                   +2 :              -0.00000561992652
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 27)  npairs=  14
              1 vec=     2.593388     -1.739555     -5.671791   |vec|=    6.474637
                1s
                   +0 :              -0.00034107098571
                2s
                   +0 :               0.00265025181437
                3s
                   +0 :              -0.00166390299757
                2p
                   -1 :              -0.00065110287900
                   +0 :              -0.00191049868283
                   +1 :              -0.00310540918372
                3p
                   -1 :              -0.00231392167307
                   +0 :               0.00112092728554
                   +1 :               0.00130161041813
                3d
                   -2 :              -0.00034164708903
                   -1 :               0.00014654624187
                   +0 :               0.00016681045019
                   +1 :              -0.00004516340438
                   +2 :              -0.00005698632769
              2 vec=    -5.186775      2.752324     -5.671791   |vec|=    8.163770
                1s
                   +0 :              -0.00096918350713
                2s
                   +0 :               0.00851612014615
                3s
                   +0 :              -0.00153878995403
                2p
                   -1 :              -0.00675136624023
                   +0 :              -0.00329890406729
                   +1 :              -0.00717086466900
                3p
                   -1 :               0.00099649749684
                   +0 :               0.00108697344038
                   +1 :               0.00168089907519
                3d
                   -2 :               0.00032489708387
                   -1 :               0.00016477201009
                   +0 :               0.00025748846636
                   +1 :               0.00023308648560
                   +2 :               0.00048779332316
              3 vec=     2.593388      7.244203     -5.671791   |vec|=    9.558941
                1s
                   +0 :              -0.00003203230178
                2s
                   +0 :               0.00294133283555
                3s
                   +0 :               0.00047502523055
                2p
                   -1 :               0.00259585798862
                   +0 :              -0.00436443555714
                   +1 :              -0.00196087247441
                3p
                   -1 :              -0.00011726352929
                   +0 :               0.00240038738064
                   +1 :               0.00123982353504
                3d
                   -2 :               0.00023186334280
                   -1 :              -0.00000177445608
                   +0 :               0.00007835595367
                   +1 :              -0.00018298988705
                   +2 :              -0.00013006908593
              4 vec=    -5.186775     -6.231434     -5.671791   |vec|=    9.894576
                1s
                   +0 :              -0.00013523632744
                2s
                   +0 :              -0.00175486396542
                3s
                   +0 :              -0.00092727005162
                2p
                   -1 :               0.00332138089609
                   +0 :               0.00210307028060
                   +1 :               0.00119313823904
                3p
                   -1 :              -0.00238982668044
                   +0 :              -0.00108110715365
                   +1 :               0.00128507689894
                3d
                   -2 :              -0.00016379714585
                   -1 :              -0.00001378151625
                   +0 :               0.00005931149708
                   +1 :              -0.00005605973790
                   +2 :              -0.00014705975843
              5 vec=    10.373550      2.752324     -5.671791   |vec|=   12.138989
                1s
                   +0 :              -0.00010530476709
                2s
                   +0 :               0.00185593095890
                3s
                   +0 :               0.00000521876236
                2p
                   -1 :              -0.00053577548681
                   +0 :               0.00110271950659
                   +1 :               0.00099900300475
                3p
                   -1 :               0.00005286014821
                   +0 :               0.00006184924446
                   +1 :               0.00004384579225
                3d
                   -2 :              -0.00001204330840
                   -1 :              -0.00002465710533
                   +0 :              -0.00008483975755
                   +1 :               0.00010428301494
                   +2 :               0.00009106254628
              6 vec=     2.593388    -10.723313     -5.671791   |vec|=   12.405012
                1s
                   +0 :               0.00042524564629
                2s
                   +0 :              -0.00483999631112
                3s
                   +0 :               0.00063586661001
                2p
                   -1 :               0.00146019159741
                   +0 :              -0.00123701782424
                   +1 :              -0.00199658679079
                3p
                   -1 :               0.00034545428682
                   +0 :               0.00054233931664
                   +1 :               0.00075614944800
                3d
                   -2 :               0.00005620195490
                   -1 :               0.00007153002725
                   +0 :               0.00005852049827
                   +1 :              -0.00001852131428
                   +2 :               0.00006599685785
              7 vec=    10.373550     -6.231434     -5.671791   |vec|=   13.364525
                1s
                   +0 :              -0.00005175471261
                2s
                   +0 :               0.00018358785338
                3s
                   +0 :              -0.00024223733688
                2p
                   -1 :              -0.00042933627000
                   +0 :              -0.00017988702452
                   +1 :              -0.00027376835434
                3p
                   -1 :               0.00007195157538
                   +0 :               0.00013471864969
                   +1 :              -0.00015074243893
                3d
                   -2 :              -0.00000575630459
                   -1 :               0.00002603655841
                   +0 :               0.00000166128899
                   +1 :               0.00000796402835
                   +2 :              -0.00001736494819
              8 vec=    -5.186775     11.736082     -5.671791   |vec|=   14.028809
                1s
                   +0 :               0.00007356134357
                2s
                   +0 :              -0.00010734324608
                3s
                   +0 :               0.00040412698950
                2p
                   -1 :               0.00004698502934
                   +0 :              -0.00008881705722
                   +1 :               0.00000673773873
                3p
                   -1 :               0.00049622713937
                   +0 :               0.00017928773620
                   +1 :              -0.00017927548894
                3d
                   -2 :              -0.00005221663190
                   -1 :               0.00003046771155
                   +0 :              -0.00008801892900
                   +1 :              -0.00006527949367
                   +2 :              -0.00005204952444
              9 vec=   -12.966938     -1.739555     -5.671791   |vec|=   14.259619
                1s
                   +0 :              -0.00004205431205
                2s
                   +0 :               0.00020748002357
                3s
                   +0 :              -0.00005936400396
                2p
                   -1 :              -0.00039586842798
                   +0 :              -0.00020427743423
                   +1 :               0.00000939324353
                3p
                   -1 :               0.00024102718286
                   +0 :               0.00005389984099
                   +1 :               0.00019684023835
                3d
                   -2 :               0.00000703910017
                   -1 :               0.00000243028842
                   +0 :               0.00000907076274
                   +1 :               0.00003310183792
                   +2 :              -0.00001987328266
             10 vec=   -12.966938      7.244203     -5.671791   |vec|=   15.899345
                1s
                   +0 :              -0.00010390784138
                2s
                   +0 :               0.00087745575823
                3s
                   +0 :              -0.00021049082951
                2p
                   -1 :               0.00036681086099
                   +0 :              -0.00022965589332
                   +1 :              -0.00009056302108
                3p
                   -1 :              -0.00018067635849
                   +0 :               0.00005216071746
                   +1 :               0.00001791544800
                3d
                   -2 :              -0.00000928501906
                   -1 :              -0.00000097619588
                   +0 :               0.00000957695778
                   +1 :              -0.00000658921282
                   +2 :              -0.00000551059121
             11 vec=    10.373550     11.736082     -5.671791   |vec|=   16.658793
                1s
                   +0 :              -0.00009902945422
                2s
                   +0 :               0.00115157254007
                3s
                   +0 :              -0.00010266469403
                2p
                   -1 :               0.00043900106976
                   +0 :               0.00006166559336
                   +1 :               0.00030502538908
                3p
                   -1 :              -0.00014927464021
                   +0 :              -0.00023884526387
                   +1 :              -0.00000625716872
                3d
                   -2 :               0.00001405310898
                   -1 :              -0.00001055083650
                   +0 :               0.00002135938056
                   +1 :              -0.00003313720969
                   +2 :               0.00001000157551
             12 vec=    -5.186775    -15.215192     -5.671791   |vec|=   17.046229
                1s
                   +0 :               0.00015752393722
                2s
                   +0 :              -0.00159431838483
                3s
                   +0 :               0.00025502523204
                2p
                   -1 :               0.00022591112788
                   +0 :               0.00013243778000
                   +1 :               0.00006408987076
                3p
                   -1 :               0.00013042337732
                   +0 :               0.00006343060660
                   +1 :               0.00000536466861
                3d
                   -2 :               0.00000044708811
                   -1 :              -0.00000878861986
                   +0 :              -0.00002732058099
                   +1 :               0.00001150466205
                   +2 :              -0.00000250366642
             13 vec=     2.593388     16.227961     -5.671791   |vec|=   17.385097
                1s
                   +0 :              -0.00002824308482
                2s
                   +0 :               0.00037258114239
                3s
                   +0 :              -0.00001423272393
                2p
                   -1 :               0.00013034433842
                   +0 :               0.00003333198677
                   +1 :              -0.00003836516804
                3p
                   -1 :               0.00001216424662
                   +0 :              -0.00001539285614
                   +1 :               0.00002446481555
                3d
                   -2 :               0.00000320394351
                   -1 :              -0.00000172416707
                   +0 :              -0.00000097335173
                   +1 :              -0.00001457043078
                   +2 :               0.00000368689941
             14 vec=   -12.966938    -10.723313     -5.671791   |vec|=   17.756693
                1s
                   +0 :               0.00004210617799
                2s
                   +0 :              -0.00043981778713
                3s
                   +0 :               0.00006065435332
                2p
                   -1 :               0.00003094329194
                   +0 :              -0.00000332653072
                   +1 :               0.00021894022949
                3p
                   -1 :              -0.00002927154506
                   +0 :              -0.00003663975510
                   +1 :              -0.00002903431584
                3d
                   -2 :               0.00001140168150
                   -1 :              -0.00000429018325
                   +0 :               0.00000501795065
                   +1 :               0.00001517462398
                   +2 :              -0.00000713195135
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 28)  npairs=  13
              1 vec=     0.209286     -3.115418      6.601980   |vec|=    7.303134
                1s
                   +0 :              -0.00261938398396
                2s
                   +0 :               0.02285616340446
                3s
                   +0 :              -0.00400227223447
                2p
                   -1 :              -0.00530771551246
                   +0 :               0.00547554348175
                   +1 :              -0.00180304162390
                3p
                   -1 :               0.00304947066048
                   +0 :               0.00228494495429
                   +1 :               0.00184330599151
                3d
                   -2 :               0.00002922789458
                   -1 :              -0.00002156771915
                   +0 :               0.00049859336465
                   +1 :               0.00001476360186
                   +2 :               0.00038166505519
              2 vec=     0.209286      5.868340      6.601980   |vec|=    8.835573
                1s
                   +0 :               0.00203736703474
                2s
                   +0 :              -0.01916881738018
                3s
                   +0 :               0.00144669244370
                2p
                   -1 :              -0.00797335219703
                   +0 :              -0.00862316771193
                   +1 :               0.00236025687452
                3p
                   -1 :              -0.00005568267296
                   +0 :              -0.00145467831308
                   +1 :              -0.00225783406808
                3d
                   -2 :              -0.00026325510083
                   -1 :              -0.00142098949568
                   +0 :              -0.00066289140096
                   +1 :              -0.00019694194145
                   +2 :               0.00072596356261
              3 vec=    -7.570876      1.376461      6.601980   |vec|=   10.138982
                1s
                   +0 :               0.00022368726089
                2s
                   +0 :              -0.00201082210589
                3s
                   +0 :               0.00095498150943
                2p
                   -1 :              -0.00007902294684
                   +0 :              -0.00030626394299
                   +1 :               0.00199632041216
                3p
                   -1 :               0.00039951347042
                   +0 :               0.00094185685014
                   +1 :              -0.00082909101291
                3d
                   -2 :               0.00000345749723
                   -1 :               0.00020794418859
                   +0 :               0.00004779385812
                   +1 :              -0.00015613842637
                   +2 :              -0.00016831092080
              4 vec=     7.989449      1.376461      6.601980   |vec|=   10.455242
                1s
                   +0 :               0.00003319727533
                2s
                   +0 :              -0.00067631555988
                3s
                   +0 :              -0.00000995928174
                2p
                   -1 :              -0.00063630309574
                   +0 :               0.00100133045665
                   +1 :              -0.00063822075104
                3p
                   -1 :               0.00072510318024
                   +0 :              -0.00048444311975
                   +1 :              -0.00071907121408
                3d
                   -2 :               0.00002215183121
                   -1 :              -0.00002302769005
                   +0 :               0.00004484084860
                   +1 :               0.00001609489956
                   +2 :              -0.00015226318258
              5 vec=    -7.570876     -7.607297      6.601980   |vec|=   12.600606
                1s
                   +0 :              -0.00008967778795
                2s
                   +0 :               0.00118821378429
                3s
                   +0 :               0.00005177592933
                2p
                   -1 :              -0.00030440195035
                   +0 :              -0.00009772113209
                   +1 :              -0.00051979994575
                3p
                   -1 :              -0.00000074939881
                   +0 :               0.00016417417611
                   +1 :               0.00040938623024
                3d
                   -2 :               0.00000442244418
                   -1 :               0.00001930014492
                   +0 :               0.00009416619482
                   +1 :               0.00002387547376
                   +2 :              -0.00002670185878
              6 vec=     7.989449     -7.607297      6.601980   |vec|=   12.856453
                1s
                   +0 :              -0.00028397578782
                2s
                   +0 :               0.00237103850688
                3s
                   +0 :              -0.00058792039849
                2p
                   -1 :              -0.00110579992025
                   +0 :               0.00047901637184
                   +1 :              -0.00004545128888
                3p
                   -1 :               0.00053101131161
                   +0 :              -0.00025390923078
                   +1 :               0.00013240510354
                3d
                   -2 :               0.00003941147323
                   -1 :               0.00006037947283
                   +0 :               0.00003644243384
                   +1 :               0.00000301990363
                   +2 :              -0.00004824358230
              7 vec=     0.209286    -12.099176      6.601980   |vec|=   13.784774
                1s
                   +0 :               0.00008196843652
                2s
                   +0 :              -0.00059971184656
                3s
                   +0 :               0.00032438719160
                2p
                   -1 :               0.00026968656331
                   +0 :              -0.00081156801342
                   +1 :              -0.00018007153470
                3p
                   -1 :              -0.00044812417305
                   +0 :               0.00026135407343
                   +1 :               0.00011478972648
                3d
                   -2 :              -0.00000411173076
                   -1 :              -0.00001288990931
                   +0 :              -0.00002987907084
                   +1 :               0.00000453609131
                   +2 :              -0.00002351736944
              8 vec=    -7.570876     10.360219      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00003538196153
                2s
                   +0 :              -0.00055754987355
                3s
                   +0 :              -0.00002648593333
                2p
                   -1 :              -0.00000675663854
                   +0 :               0.00021068124829
                   +1 :               0.00014343634956
                3p
                   -1 :               0.00005472796798
                   +0 :              -0.00004286867899
                   +1 :               0.00018274005820
                3d
                   -2 :              -0.00001006126609
                   -1 :              -0.00000102033403
                   +0 :               0.00002514538687
                   +1 :              -0.00000214317727
                   +2 :              -0.00002299969517
              9 vec=     7.989449     10.360219      6.601980   |vec|=   14.654405
                1s
                   +0 :               0.00003850324745
                2s
                   +0 :              -0.00044129916229
                3s
                   +0 :               0.00002195745547
                2p
                   -1 :               0.00008577226870
                   +0 :               0.00031704083799
                   +1 :              -0.00035773522256
                3p
                   -1 :               0.00002492957050
                   +0 :              -0.00012219662541
                   +1 :              -0.00003640941612
                3d
                   -2 :               0.00000907001496
                   -1 :               0.00000727197350
                   +0 :               0.00000449162635
                   +1 :              -0.00001908144767
                   +2 :              -0.00000595937112
             10 vec=     0.209286     14.852098      6.601980   |vec|=   16.254684
                1s
                   +0 :               0.00007694542313
                2s
                   +0 :              -0.00087758572410
                3s
                   +0 :               0.00013519954973
                2p
                   -1 :              -0.00050123455100
                   +0 :               0.00005760856429
                   +1 :               0.00005943289219
                3p
                   -1 :               0.00021204123712
                   +0 :              -0.00003382477134
                   +1 :               0.00000464563935
                3d
                   -2 :              -0.00000023699614
                   -1 :              -0.00001495304408
                   +0 :              -0.00000150406570
                   +1 :               0.00001436621911
                   +2 :              -0.00000366893715
             11 vec=   -15.351039     -3.115418      6.601980   |vec|=   16.998422
                1s
                   +0 :              -0.00008303457454
                2s
                   +0 :               0.00081913226257
                3s
                   +0 :              -0.00014625597534
                2p
                   -1 :               0.00002549586900
                   +0 :               0.00015890528511
                   +1 :              -0.00038549086962
                3p
                   -1 :              -0.00000833495022
                   +0 :              -0.00008445247945
                   +1 :               0.00008765553209
                3d
                   -2 :               0.00000997283780
                   -1 :               0.00000761184291
                   +0 :              -0.00000227985048
                   +1 :               0.00000546397714
                   +2 :               0.00001052866329
             12 vec=    15.769612     -3.115418      6.601980   |vec|=   17.377359
                1s
                   +0 :              -0.00008642682775
                2s
                   +0 :               0.00081660032724
                3s
                   +0 :              -0.00017439014142
                2p
                   -1 :              -0.00000479526492
                   +0 :              -0.00001308689808
                   +1 :               0.00044207980851
                3p
                   -1 :               0.00000218735696
                   +0 :               0.00007031071953
                   +1 :              -0.00014306351847
                3d
                   -2 :              -0.00000322396090
                   -1 :               0.00000064945587
                   +0 :               0.00000407395320
                   +1 :               0.00000296429289
                   +2 :               0.00000719427042
             13 vec=   -15.351039      5.868340      6.601980   |vec|=   17.710956
                1s
                   +0 :               0.00001340378941
                2s
                   +0 :              -0.00008175448954
                3s
                   +0 :               0.00001253223015
                2p
                   -1 :              -0.00000601087041
                   +0 :               0.00000003558771
                   +1 :               0.00001981405953
                3p
                   -1 :              -0.00000357670836
                   +0 :              -0.00003902447502
                   +1 :               0.00001203338917
                3d
                   -2 :              -0.00000233425814
                   -1 :              -0.00000475515456
                   +0 :              -0.00000616414397
                   +1 :               0.00000303800519
                   +2 :               0.00000426061084
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 29)  npairs=  13
              1 vec=    -2.802674      1.376461      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00127257159175
                2s
                   +0 :              -0.00964963693794
                3s
                   +0 :               0.00240781759213
                2p
                   -1 :               0.00662694828610
                   +0 :               0.00166473835956
                   +1 :               0.00730964349902
                3p
                   -1 :               0.00024082533236
                   +0 :              -0.00336026365215
                   +1 :              -0.00282097763935
                3d
                   -2 :              -0.00026289644602
                   -1 :               0.00065060308511
                   +0 :              -0.00032311547239
                   +1 :               0.00009095571095
                   +2 :              -0.00040958797627
              2 vec=     4.977489     -3.115418      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00089957902223
                2s
                   +0 :               0.00953640984903
                3s
                   +0 :              -0.00090610296945
                2p
                   -1 :               0.00307115540252
                   +0 :               0.00645796079886
                   +1 :               0.00709817071006
                3p
                   -1 :              -0.00177360767927
                   +0 :              -0.00104749819903
                   +1 :              -0.00160849261873
                3d
                   -2 :              -0.00023090270643
                   -1 :              -0.00035370879672
                   +0 :               0.00019502024974
                   +1 :               0.00055896688855
                   +2 :               0.00035034037164
              3 vec=     4.977489      5.868340      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00000169947924
                2s
                   +0 :              -0.00124166072297
                3s
                   +0 :              -0.00066533567215
                2p
                   -1 :               0.00056117301386
                   +0 :              -0.00017803240981
                   +1 :              -0.00177711571149
                3p
                   -1 :              -0.00050833855410
                   +0 :              -0.00111368212729
                   +1 :               0.00031451953106
                3d
                   -2 :               0.00010036515011
                   -1 :              -0.00007941331307
                   +0 :              -0.00013836555455
                   +1 :              -0.00020162860037
                   +2 :               0.00000487793330
              4 vec=    -2.802674     -7.607297      6.601980   |vec|=   10.455242
                1s
                   +0 :              -0.00018389885059
                2s
                   +0 :               0.00249257447362
                3s
                   +0 :               0.00001182622578
                2p
                   -1 :              -0.00240560814733
                   +0 :              -0.00052936704653
                   +1 :               0.00135946708983
                3p
                   -1 :               0.00022983513591
                   +0 :               0.00083083773906
                   +1 :              -0.00124317186045
                3d
                   -2 :               0.00002825007534
                   -1 :              -0.00006448082956
                   +0 :               0.00009862580194
                   +1 :               0.00003200112355
                   +2 :              -0.00009412446495
              5 vec=    -2.802674     10.360219      6.601980   |vec|=   12.600606
                1s
                   +0 :               0.00023038358980
                2s
                   +0 :              -0.00270523134812
                3s
                   +0 :               0.00006285003425
                2p
                   -1 :              -0.00074277795815
                   +0 :               0.00037463146733
                   +1 :               0.00138412281559
                3p
                   -1 :              -0.00020947803051
                   +0 :               0.00010597072674
                   +1 :              -0.00022714055098
                3d
                   -2 :               0.00010743630896
                   -1 :               0.00008306893590
                   +0 :              -0.00000783180112
                   +1 :              -0.00002737904137
                   +2 :               0.00005001117498
              6 vec=   -10.582837     -3.115418      6.601980   |vec|=   12.856453
                1s
                   +0 :              -0.00014489108015
                2s
                   +0 :               0.00158033673282
                3s
                   +0 :              -0.00024744123731
                2p
                   -1 :               0.00024801863408
                   +0 :              -0.00043718497089
                   +1 :              -0.00048927531034
                3p
                   -1 :              -0.00010167667919
                   +0 :              -0.00014320416421
                   +1 :              -0.00030502576260
                3d
                   -2 :               0.00003740434283
                   -1 :              -0.00000151052782
                   +0 :              -0.00003313417832
                   +1 :               0.00001629802334
                   +2 :               0.00004553458994
              7 vec=   -10.582837      5.868340      6.601980   |vec|=   13.784774
                1s
                   +0 :               0.00000014826492
                2s
                   +0 :              -0.00020196590518
                3s
                   +0 :              -0.00005741156737
                2p
                   -1 :              -0.00023823196319
                   +0 :               0.00005455148159
                   +1 :              -0.00028854728890
                3p
                   -1 :               0.00010031766125
                   +0 :              -0.00004137104114
                   +1 :               0.00043903033757
                3d
                   -2 :               0.00001597905060
                   -1 :              -0.00002305944476
                   +0 :               0.00003160063375
                   +1 :               0.00000272552524
                   +2 :              -0.00000553406520
              8 vec=    12.757651      1.376461      6.601980   |vec|=   14.430470
                1s
                   +0 :               0.00006801255019
                2s
                   +0 :              -0.00041147024908
                3s
                   +0 :               0.00029073077360
                2p
                   -1 :               0.00000715301384
                   +0 :              -0.00012805419639
                   +1 :              -0.00095020998258
                3p
                   -1 :               0.00015395110036
                   +0 :               0.00011052213162
                   +1 :               0.00051080485975
                3d
                   -2 :               0.00001584363170
                   -1 :              -0.00001207078648
                   +0 :              -0.00000461843209
                   +1 :               0.00000779467172
                   +2 :              -0.00001499183897
              9 vec=     4.977489    -12.099176      6.601980   |vec|=   14.654405
                1s
                   +0 :              -0.00006338182420
                2s
                   +0 :               0.00069314649911
                3s
                   +0 :              -0.00005379653556
                2p
                   -1 :              -0.00028733178153
                   +0 :               0.00020153617493
                   +1 :               0.00012362736716
                3p
                   -1 :              -0.00014877923445
                   +0 :              -0.00012992904952
                   +1 :              -0.00007565862198
                3d
                   -2 :              -0.00001612357132
                   -1 :              -0.00001789008979
                   +0 :              -0.00000267176902
                   +1 :               0.00000095769835
                   +2 :              -0.00001498894360
             10 vec=    12.757651     -7.607297      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00003534599317
                2s
                   +0 :               0.00039145416813
                3s
                   +0 :              -0.00005339946918
                2p
                   -1 :              -0.00016170405395
                   +0 :              -0.00011115600202
                   +1 :               0.00018394539313
                3p
                   -1 :               0.00008159158690
                   +0 :               0.00008924839696
                   +1 :              -0.00010661269187
                3d
                   -2 :              -0.00000365503274
                   -1 :               0.00000162223823
                   +0 :               0.00000629771670
                   +1 :               0.00001712812889
                   +2 :               0.00000471671661
             11 vec=     4.977489     14.852098      6.601980   |vec|=   16.998422
                1s
                   +0 :               0.00010517161542
                2s
                   +0 :              -0.00116455032797
                3s
                   +0 :               0.00016133824844
                2p
                   -1 :              -0.00055019660570
                   +0 :              -0.00010500059376
                   +1 :              -0.00034121903393
                3p
                   -1 :               0.00018032373831
                   +0 :               0.00009868964453
                   +1 :               0.00014724154073
                3d
                   -2 :               0.00000298918940
                   -1 :               0.00002093953393
                   +0 :              -0.00000284218510
                   +1 :              -0.00000403305716
                   +2 :               0.00001336048456
             12 vec=   -10.582837    -12.099176      6.601980   |vec|=   17.377359
                1s
                   +0 :              -0.00000546479910
                2s
                   +0 :               0.00012771096410
                3s
                   +0 :               0.00002557699361
                2p
                   -1 :               0.00006097033105
                   +0 :              -0.00010203385607
                   +1 :               0.00006797402722
                3p
                   -1 :              -0.00006996970545
                   +0 :               0.00001552148529
                   +1 :              -0.00009809262109
                3d
                   -2 :              -0.00000413613717
                   -1 :              -0.00000151481295
                   +0 :              -0.00000633388739
                   +1 :               0.00000044194285
                   +2 :               0.00000214364109
             13 vec=    12.757651     10.360219      6.601980   |vec|=   17.710956
                1s
                   +0 :               0.00000115331810
                2s
                   +0 :               0.00001196508961
                3s
                   +0 :               0.00002891838440
                2p
                   -1 :               0.00009830456592
                   +0 :               0.00016565394120
                   +1 :              -0.00015517390992
                3p
                   -1 :              -0.00004807631618
                   +0 :              -0.00003737829703
                   +1 :               0.00007605228334
                3d
                   -2 :              -0.00000499274201
                   -1 :              -0.00000401495099
                   +0 :               0.00001212763122
                   +1 :               0.00000663734359
                   +2 :               0.00000032634201
WF             site_B          number of pairs
WF(  5)=[Cr 3dx2-y2]  to site O ( 30)  npairs=  13
              1 vec=     2.593388      1.738956      6.601980   |vec|=    7.303134
                1s
                   +0 :               0.00134681239221
                2s
                   +0 :              -0.01320652646652
                3s
                   +0 :               0.00159445464234
                2p
                   -1 :               0.00855143319996
                   +0 :              -0.00714028184131
                   +1 :              -0.00758242109762
                3p
                   -1 :              -0.00239424011836
                   +0 :               0.00107531869786
                   +1 :               0.00194352238045
                3d
                   -2 :               0.00056841095035
                   -1 :               0.00038050198502
                   +0 :              -0.00017547789226
                   +1 :              -0.00052925733577
                   +2 :              -0.00026694856056
              2 vec=    -5.186775     -2.752923      6.601980   |vec|=    8.835573
                1s
                   +0 :              -0.00113778801251
                2s
                   +0 :               0.00963240753114
                3s
                   +0 :              -0.00054058947425
                2p
                   -1 :               0.00165205534527
                   +0 :               0.00216520691307
                   +1 :              -0.00483561036121
                3p
                   -1 :              -0.00035229898525
                   +0 :               0.00250217651210
                   +1 :              -0.00044539664614
                3d
                   -2 :               0.00007822032200
                   -1 :              -0.00023271289647
                   +0 :               0.00046787115122
                   +1 :              -0.00074327972473
                   +2 :               0.00056616996255
              3 vec=     2.593388     -7.244802      6.601980   |vec|=   10.138982
                1s
                   +0 :              -0.00022198778165
                2s
                   +0 :               0.00325248282886
                3s
                   +0 :              -0.00028964583728
                2p
                   -1 :              -0.00302681650913
                   +0 :               0.00048429635280
                   +1 :              -0.00044482361503
                3p
                   -1 :               0.00093598324126
                   +0 :               0.00017182527716
                   +1 :               0.00052893717519
                3d
                   -2 :              -0.00009807462363
                   -1 :               0.00002486979145
                   +0 :               0.00009057169643
                   +1 :               0.00006997538304
                   +2 :               0.00000220799547
              4 vec=    -5.186775      6.230835      6.601980   |vec|=   10.455242
                1s
                   +0 :               0.00015070157526
                2s
                   +0 :              -0.00181625891374
                3s
                   +0 :              -0.00000186694404
                2p
                   -1 :               0.00020909279749
                   +0 :              -0.00047196341012
                   +1 :               0.00189288629111
                3p
                   -1 :               0.00002358468418
                   +0 :              -0.00034639461931
                   +1 :              -0.00055220682919
                3d
                   -2 :              -0.00002514865314
                   -1 :              -0.00002997906576
                   +0 :              -0.00014346665054
                   +1 :               0.00005994748344
                   +2 :              -0.00011791258943
              5 vec=    10.373550     -2.752923      6.601980   |vec|=   12.600606
                1s
                   +0 :              -0.00014070580185
                2s
                   +0 :               0.00151701756383
                3s
                   +0 :              -0.00011462596358
                2p
                   -1 :               0.00112525552392
                   +0 :              -0.00027691033524
                   +1 :               0.00081180619409
                3p
                   -1 :              -0.00065636207738
                   +0 :              -0.00027014490285
                   +1 :               0.00027188713717
                3d
                   -2 :              -0.00001050605946
                   -1 :               0.00000679682825
                   +0 :              -0.00008633439371
                   +1 :              -0.00005697717677
                   +2 :               0.00010086728194
              6 vec=     2.593388     10.722714      6.601980   |vec|=   12.856453
                1s
                   +0 :               0.00042886686797
                2s
                   +0 :              -0.00395137523971
                3s
                   +0 :               0.00083536163579
                2p
                   -1 :              -0.00081325352048
                   +0 :              -0.00004183140095
                   +1 :              -0.00143980455977
                3p
                   -1 :              -0.00016415892627
                   +0 :               0.00039711339499
                   +1 :               0.00046161354317
                3d
                   -2 :              -0.00004280637145
                   -1 :               0.00004093366148
                   +0 :              -0.00000330825552
                   +1 :               0.00006325727629
                   +2 :              -0.00000309272210
              7 vec=    10.373550      6.230835      6.601980   |vec|=   13.784774
                1s
                   +0 :              -0.00008211670144
                2s
                   +0 :               0.00080167775174
                3s
                   +0 :              -0.00026697562423
                2p
                   -1 :              -0.00007821545877
                   +0 :               0.00075701653183
                   +1 :               0.00020556093520
                3p
                   -1 :               0.00010689735024
                   +0 :              -0.00021998303229
                   +1 :              -0.00019805452898
                3d
                   -2 :              -0.00000964033840
                   -1 :              -0.00001954267325
                   +0 :              -0.00000172156291
                   +1 :               0.00001243788432
                   +2 :               0.00000287340972
              8 vec=    -5.186775    -11.736681      6.601980   |vec|=   14.430470
                1s
                   +0 :              -0.00010339451173
                2s
                   +0 :               0.00096902012263
                3s
                   +0 :              -0.00026424484027
                2p
                   -1 :              -0.00094692731875
                   +0 :              -0.00008262705190
                   +1 :              -0.00041543292883
                3p
                   -1 :               0.00038845198640
                   +0 :              -0.00006765345263
                   +1 :               0.00026084270569
                3d
                   -2 :              -0.00000404382409
                   -1 :               0.00000206086942
                   +0 :              -0.00002052695478
                   +1 :               0.00001239571977
                   +2 :               0.00000343853250
              9 vec=   -12.966938      1.738956      6.601980   |vec|=   14.654405
                1s
                   +0 :               0.00002487857675
                2s
                   +0 :              -0.00025184733682
                3s
                   +0 :               0.00003183908009
                2p
                   -1 :               0.00031609247472
                   +0 :              -0.00051857701292
                   +1 :               0.00020606365805
                3p
                   -1 :              -0.00009591564133
                   +0 :               0.00025212567493
                   +1 :               0.00009440221890
                3d
                   -2 :               0.00000429306098
                   -1 :               0.00001204535138
                   +0 :              -0.00000181985733
                   +1 :               0.00001272911136
                   +2 :              -0.00003229244309
             10 vec=   -12.966938     -7.244802      6.601980   |vec|=   16.254684
                1s
                   +0 :              -0.00004159942997
                2s
                   +0 :               0.00048613155597
                3s
                   +0 :              -0.00008180008055
                2p
                   -1 :              -0.00022363831357
                   +0 :               0.00005354743774
                   +1 :              -0.00017235289315
                3p
                   -1 :               0.00005046387078
                   +0 :              -0.00005542362563
                   +1 :               0.00006198918475
                3d
                   -2 :              -0.00000920820362
                   -1 :              -0.00000427351889
                   +0 :              -0.00000479365100
                   +1 :               0.00000139255844
                   +2 :              -0.00000243621680
             11 vec=    10.373550    -11.736681      6.601980   |vec|=   16.998422
                1s
                   +0 :              -0.00002213704088
                2s
                   +0 :               0.00034541806540
                3s
                   +0 :              -0.00001508227310
                2p
                   -1 :              -0.00022400983397
                   +0 :              -0.00005390469135
                   +1 :               0.00013520935609
                3p
                   -1 :               0.00013759739123
                   +0 :              -0.00001423716508
                   +1 :              -0.00004593468051
                3d
                   -2 :               0.00000402858444
                   -1 :               0.00000605101546
                   +0 :               0.00000512203558
                   +1 :              -0.00001082665901
                   +2 :               0.00000589655701
             12 vec=    -5.186775     15.214593      6.601980   |vec|=   17.377359
                1s
                   +0 :               0.00009189162685
                2s
                   +0 :              -0.00094431129134
                3s
                   +0 :               0.00014881314781
                2p
                   -1 :              -0.00029589757723
                   +0 :               0.00011512075415
                   +1 :               0.00019807224106
                3p
                   -1 :               0.00000505476531
                   +0 :              -0.00008583220482
                   +1 :              -0.00005808822067
                3d
                   -2 :               0.00000069392428
                   -1 :              -0.00000261709775
                   +0 :               0.00000225993419
                   +1 :               0.00000357742965
                   +2 :               0.00000387898793
             13 vec=     2.593388    -16.228560      6.601980   |vec|=   17.710956
                1s
                   +0 :              -0.00001455710751
                2s
                   +0 :               0.00006978939993
                3s
                   +0 :              -0.00004145061455
                2p
                   -1 :              -0.00010539717915
                   +0 :              -0.00016568952892
                   +1 :              -0.00015801974307
                3p
                   -1 :               0.00002961547639
                   +0 :               0.00007640277204
                   +1 :               0.00008258062709
                3d
                   -2 :              -0.00000025632333
                   -1 :              -0.00000126793429
                   +0 :              -0.00000596348725
                   +1 :               0.00000419663930
                   +2 :              -0.00000000883815
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al(  1)  npairs=  14
              1 vec=    -2.383842      1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.01461121461213
                2p
                   -1 :               0.00404283941335
                   +0 :               0.01186258836062
                   +1 :              -0.01429784894959
                3s
                   +0 :               0.03969159980774
                4s
                   +0 :               0.00731428120246
                3p
                   -1 :              -0.01029161308037
                   +0 :               0.03048863054626
                   +1 :              -0.02019676297435
                4p
                   -1 :               0.00366357808109
                   +0 :               0.00584651737136
                   +1 :              -0.00872335957922
                3d
                   -2 :              -0.00056282525602
                   -1 :              -0.00208257304467
                   +0 :               0.00948107274083
                   +1 :              -0.02896062764922
                   +2 :               0.02073514635978
              2 vec=     5.396321     -3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00449303901660
                2p
                   -1 :              -0.00041512661187
                   +0 :               0.00137880315080
                   +1 :               0.00299462005627
                3s
                   +0 :              -0.01749278464550
                4s
                   +0 :               0.00975380416254
                3p
                   -1 :               0.00053064653952
                   +0 :              -0.00655444708705
                   +1 :              -0.01263253276240
                4p
                   -1 :              -0.00113052409173
                   +0 :               0.00296985138972
                   +1 :               0.00508802299298
                3d
                   -2 :               0.00079989551279
                   -1 :              -0.00066527081225
                   +0 :              -0.00052806936786
                   +1 :              -0.00241158123649
                   +2 :               0.00042445213634
              3 vec=    -2.383842     -7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00085505794811
                2p
                   -1 :              -0.00076243230924
                   +0 :               0.00041484949892
                   +1 :               0.00058151709783
                3s
                   +0 :              -0.00611198652468
                4s
                   +0 :              -0.00137712110763
                3p
                   -1 :               0.00268052990547
                   +0 :              -0.00675248335687
                   +1 :              -0.00824762792985
                4p
                   -1 :               0.00099358010333
                   +0 :               0.00024583258755
                   +1 :               0.00249457392322
                3d
                   -2 :               0.00231520941445
                   -1 :               0.00123942993083
                   +0 :              -0.00150163846413
                   +1 :              -0.00180043729687
                   +2 :              -0.00028181323084
              4 vec=     5.396321      5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00058465449681
                2p
                   -1 :               0.00035504599018
                   +0 :              -0.00002913160740
                   +1 :               0.00052902297542
                3s
                   +0 :               0.00248583048518
                4s
                   +0 :               0.00067915368833
                3p
                   -1 :              -0.00325929218902
                   +0 :               0.00439131079750
                   +1 :              -0.00109122241583
                4p
                   -1 :               0.00062717557144
                   +0 :              -0.00010637713525
                   +1 :               0.00109617819757
                3d
                   -2 :              -0.00117707502989
                   -1 :              -0.00016851570839
                   +0 :               0.00233805361970
                   +1 :               0.00160215745862
                   +2 :               0.00037032249793
              5 vec=   -10.164004     -3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00024048253817
                2p
                   -1 :               0.00019854530530
                   +0 :               0.00008154574453
                   +1 :              -0.00004131068960
                3s
                   +0 :               0.00056723687067
                4s
                   +0 :              -0.00056536045156
                3p
                   -1 :              -0.00094863628364
                   +0 :              -0.00071420428101
                   +1 :               0.00056468860993
                4p
                   -1 :               0.00030789398414
                   +0 :               0.00006462211887
                   +1 :              -0.00001894081483
                3d
                   -2 :               0.00019831568418
                   -1 :               0.00013441286806
                   +0 :               0.00005728615336
                   +1 :               0.00008027785556
                   +2 :              -0.00020350051407
              6 vec=    -2.383842     10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00055835774441
                2p
                   -1 :               0.00031149255259
                   +0 :               0.00002118388486
                   +1 :              -0.00025868177068
                3s
                   +0 :              -0.00001470478471
                4s
                   +0 :              -0.00027719131419
                3p
                   -1 :               0.00012353197715
                   +0 :              -0.00048905240982
                   +1 :               0.00101868582667
                4p
                   -1 :              -0.00024281260150
                   +0 :               0.00004606331077
                   +1 :              -0.00009133181318
                3d
                   -2 :               0.00004504022493
                   -1 :               0.00014536677187
                   +0 :               0.00019895945756
                   +1 :               0.00027097348510
                   +2 :              -0.00015612272035
              7 vec=   -10.164004      5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00035606711690
                2p
                   -1 :              -0.00000337970323
                   +0 :               0.00007793169233
                   +1 :              -0.00006221500427
                3s
                   +0 :              -0.00124199388197
                4s
                   +0 :               0.00037665490241
                3p
                   -1 :               0.00010599644482
                   +0 :              -0.00028982222253
                   +1 :               0.00030497685169
                4p
                   -1 :               0.00008964596130
                   +0 :               0.00012164352801
                   +1 :              -0.00001300398330
                3d
                   -2 :              -0.00033160941111
                   -1 :               0.00013154763027
                   +0 :               0.00003366099398
                   +1 :              -0.00000305212143
                   +2 :              -0.00027095234652
              8 vec=     5.396321    -12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00007270741537
                2p
                   -1 :               0.00023440392842
                   +0 :              -0.00026970925890
                   +1 :               0.00035957977161
                3s
                   +0 :              -0.00079175118655
                4s
                   +0 :              -0.00008333864459
                3p
                   -1 :              -0.00056777454427
                   +0 :               0.00018337595944
                   +1 :              -0.00169786319742
                4p
                   -1 :               0.00029028246497
                   +0 :              -0.00008411429727
                   +1 :               0.00051020440061
                3d
                   -2 :               0.00042016192677
                   -1 :               0.00010553504402
                   +0 :              -0.00012115310049
                   +1 :               0.00007639707482
                   +2 :              -0.00020561135186
              9 vec=    13.176483      1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00004767854343
                2p
                   -1 :              -0.00003525443721
                   +0 :              -0.00006819364167
                   +1 :              -0.00004327061367
                3s
                   +0 :               0.00015462741729
                4s
                   +0 :              -0.00013775454372
                3p
                   -1 :               0.00008142992700
                   +0 :               0.00028870555837
                   +1 :               0.00030337581306
                4p
                   -1 :               0.00001443979774
                   +0 :              -0.00014777873103
                   +1 :              -0.00011421103747
                3d
                   -2 :               0.00001930150052
                   -1 :              -0.00002459211385
                   +0 :               0.00000412317140
                   +1 :               0.00013034588803
                   +2 :               0.00006882221189
             10 vec=    13.176483     -7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00005446192187
                2p
                   -1 :              -0.00000784855898
                   +0 :              -0.00001024417613
                   +1 :              -0.00003177804600
                3s
                   +0 :              -0.00004135614685
                4s
                   +0 :               0.00004961605317
                3p
                   -1 :               0.00003294834863
                   +0 :               0.00007881780970
                   +1 :              -0.00000215670720
                4p
                   -1 :               0.00000510781279
                   +0 :              -0.00004057766310
                   +1 :               0.00006080879975
                3d
                   -2 :               0.00001072287389
                   -1 :              -0.00000979231230
                   +0 :              -0.00004701549155
                   +1 :               0.00001662325918
                   +2 :              -0.00001570710973
             11 vec=   -10.164004    -12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00003896968700
                2p
                   -1 :              -0.00002716716584
                   +0 :              -0.00001702108148
                   +1 :              -0.00003260225062
                3s
                   +0 :               0.00002348121072
                4s
                   +0 :               0.00006850063401
                3p
                   -1 :               0.00007290714883
                   +0 :               0.00018779420426
                   +1 :               0.00011789959310
                4p
                   -1 :              -0.00004430553093
                   +0 :              -0.00003138716919
                   +1 :              -0.00003231327611
                3d
                   -2 :              -0.00005706615295
                   -1 :              -0.00011266656840
                   +0 :              -0.00000063151150
                   +1 :               0.00006413286693
                   +2 :               0.00003294800091
             12 vec=     5.396321     14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00001687340477
                2p
                   -1 :              -0.00001854774512
                   +0 :               0.00005462094516
                   +1 :               0.00003012488723
                3s
                   +0 :               0.00017420516840
                4s
                   +0 :               0.00002297655807
                3p
                   -1 :               0.00005851211686
                   +0 :              -0.00031980108379
                   +1 :              -0.00016597385012
                4p
                   -1 :               0.00000440298427
                   +0 :               0.00009157453197
                   +1 :               0.00004784904377
                3d
                   -2 :              -0.00002621017327
                   -1 :              -0.00006309789940
                   +0 :               0.00000808894969
                   +1 :               0.00002430243427
                   +2 :               0.00002009851643
             13 vec=    -2.383842    -16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00008048082336
                2p
                   -1 :               0.00002445442225
                   +0 :              -0.00006054681963
                   +1 :              -0.00001936446686
                3s
                   +0 :               0.00024520473205
                4s
                   +0 :              -0.00004419880149
                3p
                   -1 :              -0.00009400062186
                   +0 :               0.00029128783980
                   +1 :               0.00010446549660
                4p
                   -1 :              -0.00000936410823
                   +0 :              -0.00006214945756
                   +1 :              -0.00000196363692
                3d
                   -2 :               0.00001558374857
                   -1 :              -0.00002302878654
                   +0 :               0.00002796236818
                   +1 :               0.00000342020256
                   +2 :              -0.00000200255303
             14 vec=    13.176483     10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00004826192608
                2p
                   -1 :               0.00001911042946
                   +0 :               0.00001054749555
                   +1 :               0.00000904203176
                3s
                   +0 :              -0.00014853051009
                4s
                   +0 :               0.00003923443941
                3p
                   -1 :              -0.00009300218263
                   +0 :              -0.00006842272700
                   +1 :              -0.00003590798175
                4p
                   -1 :               0.00002281052513
                   +0 :               0.00002175577050
                   +1 :               0.00000274967242
                3d
                   -2 :              -0.00000817812204
                   -1 :               0.00002223284394
                   +0 :               0.00001643243030
                   +1 :              -0.00001410104134
                   +2 :              -0.00000189101211
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al(  2)  npairs=  13
              1 vec=    -2.383842      1.376312      9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00007063784211
                2p
                   -1 :              -0.00000133207292
                   +0 :              -0.00012775172199
                   +1 :               0.00022250784847
                3s
                   +0 :              -0.00054386776895
                4s
                   +0 :               0.00023482301465
                3p
                   -1 :              -0.00055175453235
                   +0 :               0.00008665880288
                   +1 :              -0.00053349450577
                4p
                   -1 :               0.00010574644672
                   +0 :               0.00007191767930
                   +1 :               0.00028765328050
                3d
                   -2 :              -0.00003833141694
                   -1 :              -0.00008480623475
                   +0 :               0.00003022542289
                   +1 :               0.00008900414218
                   +2 :               0.00024724048158
              2 vec=     5.396321     -3.115567      9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00041214935976
                2p
                   -1 :               0.00017567270689
                   +0 :               0.00011758781285
                   +1 :               0.00045207249220
                3s
                   +0 :              -0.00163453728665
                4s
                   +0 :               0.00063291313621
                3p
                   -1 :              -0.00051426552989
                   +0 :              -0.00102451564427
                   +1 :              -0.00219499718793
                4p
                   -1 :              -0.00000755578323
                   +0 :               0.00045660059623
                   +1 :               0.00053216312303
                3d
                   -2 :              -0.00006275167558
                   -1 :              -0.00025305890323
                   +0 :              -0.00012809106676
                   +1 :              -0.00041222991056
                   +2 :              -0.00013713143314
              3 vec=    -2.383842     -7.607446      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00003286334146
                2p
                   -1 :               0.00034109638949
                   +0 :              -0.00012133120152
                   +1 :              -0.00004366588155
                3s
                   +0 :              -0.00093065317405
                4s
                   +0 :              -0.00010915751117
                3p
                   -1 :              -0.00062015375145
                   +0 :               0.00051864558184
                   +1 :              -0.00010502009786
                4p
                   -1 :               0.00027759426473
                   +0 :              -0.00038337851579
                   +1 :               0.00017411582777
                3d
                   -2 :               0.00019552810864
                   -1 :              -0.00011682704549
                   +0 :               0.00013492042468
                   +1 :              -0.00006856918870
                   +2 :               0.00025415988895
              4 vec=     5.396321      5.868191      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00000143939446
                2p
                   -1 :               0.00010892888540
                   +0 :               0.00000429884997
                   +1 :               0.00006432382843
                3s
                   +0 :               0.00173430810261
                4s
                   +0 :              -0.00010411683079
                3p
                   -1 :               0.00052851175768
                   +0 :               0.00041077649509
                   +1 :               0.00101492427353
                4p
                   -1 :               0.00012695494304
                   +0 :              -0.00002917405141
                   +1 :              -0.00004713891803
                3d
                   -2 :               0.00037406327358
                   -1 :               0.00019539231775
                   +0 :              -0.00020764234888
                   +1 :               0.00014956939637
                   +2 :               0.00011301212123
              5 vec=   -10.164004     -3.115567      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00003196443536
                2p
                   -1 :               0.00004819488285
                   +0 :              -0.00001016705521
                   +1 :              -0.00009697697822
                3s
                   +0 :               0.00003346402531
                4s
                   +0 :              -0.00003529909421
                3p
                   -1 :              -0.00020112720629
                   +0 :               0.00004749625916
                   +1 :               0.00064389674161
                4p
                   -1 :              -0.00004358711222
                   +0 :              -0.00000237243478
                   +1 :              -0.00012240442960
                3d
                   -2 :              -0.00002800938045
                   -1 :              -0.00007503044922
                   +0 :               0.00007778298883
                   +1 :               0.00016903445513
                   +2 :              -0.00020559617260
              6 vec=    -2.383842     10.360070      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00008115357836
                2p
                   -1 :              -0.00009276106385
                   +0 :              -0.00003819040264
                   +1 :               0.00005934596078
                3s
                   +0 :               0.00049674047457
                4s
                   +0 :              -0.00020396910063
                3p
                   -1 :               0.00041244298589
                   +0 :               0.00036614776340
                   +1 :              -0.00037721705799
                4p
                   -1 :              -0.00013085016847
                   +0 :              -0.00013460954811
                   +1 :               0.00005068671044
                3d
                   -2 :              -0.00004488546954
                   -1 :               0.00006944877441
                   +0 :               0.00004868235413
                   +1 :              -0.00003931444296
                   +2 :              -0.00001773286124
              7 vec=    -2.383842      1.376312    -14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00005415291679
                2p
                   -1 :               0.00000467687699
                   +0 :               0.00001492863461
                   +1 :               0.00001209375170
                3s
                   +0 :               0.00034062577675
                4s
                   +0 :              -0.00009066199790
                3p
                   -1 :               0.00008738213494
                   +0 :              -0.00016621190307
                   +1 :              -0.00015878342808
                4p
                   -1 :               0.00000556762153
                   +0 :               0.00005368212349
                   +1 :               0.00001887272609
                3d
                   -2 :               0.00003717483198
                   -1 :              -0.00006138965690
                   +0 :              -0.00000352479399
                   +1 :               0.00003789303603
                   +2 :               0.00001222474013
              8 vec=   -10.164004      5.868191      9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00022779513426
                2p
                   -1 :               0.00001988955623
                   +0 :               0.00011084385413
                   +1 :              -0.00016457270715
                3s
                   +0 :              -0.00056357183473
                4s
                   +0 :               0.00017897493540
                3p
                   -1 :               0.00005173803598
                   +0 :              -0.00046055936397
                   +1 :               0.00075643394750
                4p
                   -1 :              -0.00003417656686
                   +0 :               0.00010025958115
                   +1 :              -0.00019345123340
                3d
                   -2 :               0.00010688928900
                   -1 :              -0.00007763607389
                   +0 :              -0.00000241645629
                   +1 :               0.00016761348482
                   +2 :              -0.00008723438481
              9 vec=     5.396321     -3.115567    -14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00006957185057
                2p
                   -1 :              -0.00001895381744
                   +0 :              -0.00000795949003
                   +1 :              -0.00001899853270
                3s
                   +0 :              -0.00009734445456
                4s
                   +0 :              -0.00001000055900
                3p
                   -1 :               0.00004579757246
                   +0 :              -0.00000829870855
                   +1 :               0.00014056298016
                4p
                   -1 :               0.00000207653919
                   +0 :               0.00003034515796
                   +1 :              -0.00002217823473
                3d
                   -2 :               0.00003417721229
                   -1 :               0.00002552682120
                   +0 :               0.00008178080811
                   +1 :              -0.00004545437975
                   +2 :              -0.00005195847233
             10 vec=     5.396321    -12.099325      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00006600184700
                2p
                   -1 :               0.00010336007302
                   +0 :              -0.00000662583122
                   +1 :              -0.00001261067045
                3s
                   +0 :               0.00001947975658
                4s
                   +0 :              -0.00005286595543
                3p
                   -1 :              -0.00035196781320
                   +0 :              -0.00005358473917
                   +1 :               0.00008191474232
                4p
                   -1 :               0.00007965882785
                   +0 :               0.00001499641264
                   +1 :              -0.00004720550864
                3d
                   -2 :              -0.00006078681221
                   -1 :              -0.00002711703151
                   +0 :              -0.00001176993122
                   +1 :              -0.00000897590417
                   +2 :              -0.00001688516264
             11 vec=    13.176483      1.376312      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00000089121338
                2p
                   -1 :               0.00000591250008
                   +0 :               0.00000618406875
                   +1 :               0.00001526363781
                3s
                   +0 :              -0.00001916238279
                4s
                   +0 :              -0.00003168173888
                3p
                   -1 :              -0.00011577809016
                   +0 :              -0.00003620245465
                   +1 :              -0.00004143539731
                4p
                   -1 :               0.00004179249807
                   +0 :              -0.00002065082289
                   +1 :              -0.00001353108689
                3d
                   -2 :              -0.00000790625454
                   -1 :              -0.00000838159986
                   +0 :              -0.00002331164608
                   +1 :              -0.00002640216916
                   +2 :              -0.00001694852665
             12 vec=    -2.383842     -7.607446    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00008423090910
                2p
                   -1 :               0.00001050002447
                   +0 :              -0.00002874875317
                   +1 :              -0.00002964521056
                3s
                   +0 :              -0.00017865122729
                4s
                   +0 :               0.00002943492777
                3p
                   -1 :              -0.00004476181809
                   +0 :               0.00014255590707
                   +1 :               0.00015570555428
                4p
                   -1 :               0.00001063530683
                   +0 :              -0.00001830465410
                   +1 :              -0.00002825598123
                3d
                   -2 :              -0.00006118264628
                   -1 :              -0.00001707381949
                   +0 :               0.00000363799005
                   +1 :              -0.00001882228726
                   +2 :              -0.00000314591976
             13 vec=     5.396321      5.868191    -14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00003791286296
                2p
                   -1 :               0.00001673119248
                   +0 :               0.00000171294695
                   +1 :              -0.00002562081533
                3s
                   +0 :               0.00008623467253
                4s
                   +0 :               0.00001546349092
                3p
                   -1 :              -0.00021181360017
                   +0 :               0.00014287310264
                   +1 :               0.00018222626464
                4p
                   -1 :               0.00002743880621
                   +0 :              -0.00003239430220
                   +1 :              -0.00002440021035
                3d
                   -2 :              -0.00005843555210
                   -1 :               0.00006434642934
                   +0 :              -0.00010119770509
                   +1 :               0.00000124058640
                   +2 :              -0.00000415591421
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Cr(  3)  npairs=  14
              1 vec=    -2.383842      1.376312     -2.510723   |vec|=    3.725676
                3s
                   +0 :              -0.01814079502551
                3p
                   -1 :              -0.00261172139702
                   +0 :               0.02779973141907
                   +1 :               0.02559122743084
                4s
                   +0 :              -0.01486538006282
                5s
                   +0 :              -0.00165262325586
                3d
                   -2 :              -0.00342285090885
                   -1 :              -0.00480300661890
                   +0 :              -0.01746260236049
                   +1 :              -0.03385391010065
                   +2 :              -0.02221288523169
                4d
                   -2 :              -0.00553578130522
                   -1 :              -0.00392347750650
                   +0 :              -0.00214862734729
                   +1 :              -0.00132282576943
                   +2 :              -0.00449443283749
                4p
                   -1 :               0.01043322814819
                   +0 :               0.01368757448642
                   +1 :               0.01061806700499
              2 vec=     5.396321     -3.115567     -2.510723   |vec|=    6.717944
                3s
                   +0 :               0.00144395457430
                3p
                   -1 :              -0.00048924061000
                   +0 :               0.00025490820610
                   +1 :              -0.00038483061664
                4s
                   +0 :              -0.00828305463001
                5s
                   +0 :               0.00117605995769
                3d
                   -2 :              -0.00039650089157
                   -1 :              -0.00164482535965
                   +0 :              -0.00013505135741
                   +1 :              -0.00269088523768
                   +2 :              -0.00089562824138
                4d
                   -2 :              -0.00081692386736
                   -1 :              -0.00107564769942
                   +0 :              -0.00087532192505
                   +1 :               0.00013818282568
                   +2 :              -0.00025028956108
                4p
                   -1 :               0.00189899832381
                   +0 :               0.00212925404237
                   +1 :              -0.00297809514895
              3 vec=    -2.383842     -7.607446     -2.510723   |vec|=    8.358210
                3s
                   +0 :               0.00275465489120
                3p
                   -1 :              -0.00037613544789
                   +0 :              -0.00007414955659
                   +1 :              -0.00103847955614
                4s
                   +0 :              -0.00369627735575
                5s
                   +0 :               0.00057446993159
                3d
                   -2 :              -0.00113632428193
                   -1 :               0.00396283117565
                   +0 :               0.00222324959694
                   +1 :              -0.00234062175233
                   +2 :              -0.00169352125227
                4d
                   -2 :              -0.00174795834868
                   -1 :              -0.00064051176797
                   +0 :               0.00174831451362
                   +1 :              -0.00018303768719
                   +2 :               0.00141962034501
                4p
                   -1 :               0.00182336481653
                   +0 :              -0.00238526343810
                   +1 :               0.00357456472699
              4 vec=     5.396321      5.868191     -2.510723   |vec|=    8.358210
                3s
                   +0 :               0.00014634756412
                3p
                   -1 :               0.00042129124134
                   +0 :              -0.00003595988429
                   +1 :               0.00053784998173
                4s
                   +0 :              -0.00290092931901
                5s
                   +0 :               0.00009559357029
                3d
                   -2 :               0.00061747126974
                   -1 :               0.00005895965583
                   +0 :              -0.00355114380917
                   +1 :               0.00257531040385
                   +2 :              -0.00063469414191
                4d
                   -2 :               0.00069859364442
                   -1 :               0.00012497913555
                   +0 :               0.00003578341632
                   +1 :               0.00039503989455
                   +2 :              -0.00120197820012
                4p
                   -1 :               0.00107465102814
                   +0 :               0.00269637788766
                   +1 :              -0.00143981919612
              5 vec=   -10.164004     -3.115567     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00014729190879
                3p
                   -1 :              -0.00002772727749
                   +0 :              -0.00006365972073
                   +1 :              -0.00043306152872
                4s
                   +0 :               0.00061877847820
                5s
                   +0 :              -0.00008498286444
                3d
                   -2 :               0.00009606893617
                   -1 :              -0.00049649560633
                   +0 :              -0.00000045435836
                   +1 :               0.00011607887628
                   +2 :               0.00006950257448
                4d
                   -2 :              -0.00001968489620
                   -1 :              -0.00008310099678
                   +0 :               0.00027711134776
                   +1 :              -0.00015388358940
                   +2 :               0.00016194119379
                4p
                   -1 :              -0.00015736220717
                   +0 :               0.00022941888853
                   +1 :               0.00006485404648
              6 vec=    -2.383842     10.360070     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00018370201172
                3p
                   -1 :               0.00007624512058
                   +0 :               0.00000384880273
                   +1 :              -0.00042158148025
                4s
                   +0 :              -0.00089704991621
                5s
                   +0 :               0.00000344358819
                3d
                   -2 :              -0.00046962373427
                   -1 :              -0.00012275267834
                   +0 :              -0.00056333862130
                   +1 :              -0.00020876272970
                   +2 :              -0.00019686321054
                4d
                   -2 :               0.00038962695188
                   -1 :               0.00018834219553
                   +0 :               0.00029012524485
                   +1 :               0.00019205110864
                   +2 :               0.00026001579720
                4p
                   -1 :              -0.00062078779881
                   +0 :              -0.00008998074676
                   +1 :               0.00060493041810
              7 vec=   -10.164004      5.868191     -2.510723   |vec|=   12.001932
                3s
                   +0 :              -0.00018766908741
                3p
                   -1 :              -0.00020222279907
                   +0 :               0.00048893403649
                   +1 :               0.00011638890900
                4s
                   +0 :               0.00051803344320
                5s
                   +0 :              -0.00006603774749
                3d
                   -2 :               0.00018406789784
                   -1 :               0.00045699330782
                   +0 :              -0.00035426799996
                   +1 :              -0.00003198332444
                   +2 :               0.00001940113171
                4d
                   -2 :              -0.00034168803148
                   -1 :              -0.00001379350808
                   +0 :               0.00000162755350
                   +1 :               0.00015010566297
                   +2 :               0.00013771862722
                4p
                   -1 :               0.00014937201991
                   +0 :              -0.00038897728259
                   +1 :              -0.00037726125826
              8 vec=     5.396321    -12.099325     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00018922956989
                3p
                   -1 :              -0.00015390400091
                   +0 :              -0.00002627421650
                   +1 :               0.00020513163842
                4s
                   +0 :               0.00040997386126
                5s
                   +0 :              -0.00004556969938
                3d
                   -2 :               0.00006936347076
                   -1 :               0.00056446616735
                   +0 :               0.00061596134373
                   +1 :               0.00074743955541
                   +2 :               0.00021920541197
                4d
                   -2 :               0.00021566895687
                   -1 :               0.00028283671472
                   +0 :               0.00011054201987
                   +1 :              -0.00012669097147
                   +2 :              -0.00036029818629
                4p
                   -1 :              -0.00004440403748
                   +0 :              -0.00052667579747
                   +1 :              -0.00053640416764
              9 vec=    13.176483      1.376312     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00022208996016
                3p
                   -1 :              -0.00013309833203
                   +0 :               0.00004516428912
                   +1 :               0.00009749286435
                4s
                   +0 :              -0.00047444029567
                5s
                   +0 :               0.00006778270725
                3d
                   -2 :               0.00007206071808
                   -1 :               0.00002830453053
                   +0 :              -0.00002397229752
                   +1 :              -0.00033207982829
                   +2 :               0.00012297055283
                4d
                   -2 :               0.00011067359181
                   -1 :              -0.00004420700916
                   +0 :               0.00019445029118
                   +1 :               0.00005404214345
                   +2 :              -0.00010352860744
                4p
                   -1 :               0.00030155927989
                   +0 :              -0.00017390549541
                   +1 :              -0.00025306098850
             10 vec=    13.176483     -7.607446     -2.510723   |vec|=   15.420658
                3s
                   +0 :              -0.00014764159921
                3p
                   -1 :               0.00002960902888
                   +0 :              -0.00000407008148
                   +1 :              -0.00009692330648
                4s
                   +0 :               0.00035196381826
                5s
                   +0 :              -0.00004065466991
                3d
                   -2 :               0.00004958963319
                   -1 :              -0.00001611825721
                   +0 :               0.00011712840515
                   +1 :              -0.00002293107640
                   +2 :              -0.00002147321503
                4d
                   -2 :              -0.00002090999482
                   -1 :              -0.00003891978000
                   +0 :              -0.00006008575077
                   +1 :              -0.00000496749555
                   +2 :               0.00001186975952
                4p
                   -1 :              -0.00005579705945
                   +0 :              -0.00003206091891
                   +1 :               0.00016684996505
             11 vec=   -10.164004    -12.099325     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00003041199586
                3p
                   -1 :               0.00007019150839
                   +0 :               0.00001077269258
                   +1 :               0.00002072599720
                4s
                   +0 :              -0.00001048508126
                5s
                   +0 :              -0.00001452051975
                3d
                   -2 :              -0.00004537342776
                   -1 :              -0.00021518077551
                   +0 :               0.00006612581799
                   +1 :              -0.00000053703906
                   +2 :               0.00003086794422
                4d
                   -2 :               0.00003616807568
                   -1 :               0.00001442955660
                   +0 :              -0.00004598057936
                   +1 :               0.00001435199830
                   +2 :               0.00002045480440
                4p
                   -1 :              -0.00007958716265
                   +0 :               0.00002128958174
                   +1 :              -0.00000776423722
             12 vec=     5.396321     14.851949     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00000003188804
                3p
                   -1 :               0.00004013004305
                   +0 :               0.00004638223780
                   +1 :              -0.00004510105220
                4s
                   +0 :              -0.00017202301076
                5s
                   +0 :               0.00004982309078
                3d
                   -2 :              -0.00005550396267
                   -1 :              -0.00008154873000
                   +0 :              -0.00008430448101
                   +1 :               0.00013676381657
                   +2 :              -0.00004361741104
                4d
                   -2 :               0.00000118556699
                   -1 :              -0.00003224225021
                   +0 :              -0.00001640434990
                   +1 :              -0.00002166937582
                   +2 :               0.00006478246768
                4p
                   -1 :              -0.00011439090286
                   +0 :              -0.00007825093363
                   +1 :               0.00007588477737
             13 vec=    -2.383842    -16.591204     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00014953354456
                3p
                   -1 :              -0.00007336617787
                   +0 :              -0.00010538032435
                   +1 :              -0.00003526495487
                4s
                   +0 :              -0.00025997459156
                5s
                   +0 :               0.00000024398207
                3d
                   -2 :               0.00006352659678
                   -1 :               0.00023106106367
                   +0 :               0.00011611901450
                   +1 :              -0.00004181446930
                   +2 :              -0.00005484974479
                4d
                   -2 :              -0.00002860865771
                   -1 :              -0.00006054718450
                   +0 :               0.00000998395379
                   +1 :               0.00002289193853
                   +2 :               0.00003410578595
                4p
                   -1 :               0.00015981767848
                   +0 :               0.00012447306461
                   +1 :               0.00000428110844
             14 vec=    13.176483     10.360070     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00003894850208
                3p
                   -1 :               0.00006926140607
                   +0 :              -0.00001831518402
                   +1 :              -0.00001613995953
                4s
                   +0 :              -0.00007762051445
                5s
                   +0 :               0.00001179771491
                3d
                   -2 :               0.00006884143179
                   -1 :               0.00009735360140
                   +0 :              -0.00005808837626
                   +1 :              -0.00002062971630
                   +2 :               0.00000310891522
                4d
                   -2 :              -0.00004968758810
                   -1 :              -0.00001275965013
                   +0 :              -0.00001009909689
                   +1 :               0.00006442324223
                   +2 :               0.00005680791317
                4p
                   -1 :              -0.00011067233098
                   +0 :               0.00007328338588
                   +1 :               0.00006489769439
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al(  4)  npairs=  13
              1 vec=    -2.383842      1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00002605075669
                2p
                   -1 :              -0.00011007755639
                   +0 :              -0.00006048255306
                   +1 :              -0.00015404922221
                3s
                   +0 :              -0.00005408902306
                4s
                   +0 :               0.00009813390478
                3p
                   -1 :               0.00040743476447
                   +0 :               0.00108252262299
                   +1 :               0.00147703639057
                4p
                   -1 :              -0.00023166464555
                   +0 :              -0.00032462538583
                   +1 :              -0.00039575873885
                3d
                   -2 :              -0.00010810467530
                   -1 :               0.00002771916957
                   +0 :              -0.00052336776357
                   +1 :              -0.00028703340460
                   +2 :              -0.00011117411227
              2 vec=     5.396321     -3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00003672845821
                2p
                   -1 :               0.00027929973900
                   +0 :              -0.00004701798067
                   +1 :              -0.00009489835110
                3s
                   +0 :               0.00001652002004
                4s
                   +0 :               0.00020564454453
                3p
                   -1 :              -0.00154474120089
                   +0 :               0.00024250328495
                   +1 :               0.00041468872315
                4p
                   -1 :               0.00043881692008
                   +0 :               0.00000465517160
                   +1 :              -0.00012743222152
                3d
                   -2 :               0.00011403378366
                   -1 :               0.00023512637846
                   +0 :              -0.00021602861605
                   +1 :               0.00008026552168
                   +2 :               0.00024115612336
              3 vec=    -2.383842     -7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00014186463275
                2p
                   -1 :               0.00007184329627
                   +0 :              -0.00002612203791
                   +1 :               0.00017450354518
                3s
                   +0 :               0.00076214826243
                4s
                   +0 :               0.00001060093611
                3p
                   -1 :              -0.00042580887501
                   +0 :               0.00003796337497
                   +1 :              -0.00103822280599
                4p
                   -1 :               0.00001165736168
                   +0 :              -0.00000098379938
                   +1 :               0.00037561712617
                3d
                   -2 :               0.00018040548457
                   -1 :               0.00010696717766
                   +0 :              -0.00002640338732
                   +1 :               0.00001025990256
                   +2 :              -0.00020547676086
              4 vec=     5.396321      5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00006812209225
                2p
                   -1 :              -0.00000488285967
                   +0 :              -0.00005401464165
                   +1 :               0.00025876405292
                3s
                   +0 :               0.00190074381219
                4s
                   +0 :              -0.00008233815483
                3p
                   -1 :               0.00071458341860
                   +0 :               0.00011855649174
                   +1 :               0.00028415595148
                4p
                   -1 :              -0.00007714558949
                   +0 :              -0.00016332505720
                   +1 :               0.00014653322500
                3d
                   -2 :               0.00015261988101
                   -1 :              -0.00004684151241
                   +0 :              -0.00033577516444
                   +1 :               0.00014585689524
                   +2 :               0.00034463758611
              5 vec=   -10.164004     -3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00004837424394
                2p
                   -1 :               0.00006586438856
                   +0 :               0.00000326777170
                   +1 :              -0.00004408202296
                3s
                   +0 :              -0.00012581208992
                4s
                   +0 :              -0.00006260066773
                3p
                   -1 :              -0.00052798479393
                   +0 :               0.00011746696760
                   +1 :               0.00018211215689
                4p
                   -1 :               0.00013724476381
                   +0 :              -0.00003885678442
                   +1 :               0.00004760559430
                3d
                   -2 :               0.00007980326139
                   -1 :               0.00002461283727
                   +0 :              -0.00000563127740
                   +1 :              -0.00005738519564
                   +2 :              -0.00011143616556
              6 vec=    -2.383842     10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00015522604643
                2p
                   -1 :              -0.00006421505585
                   +0 :               0.00002376724432
                   +1 :               0.00005976216768
                3s
                   +0 :               0.00048980720018
                4s
                   +0 :              -0.00015825717524
                3p
                   -1 :               0.00036322093756
                   +0 :              -0.00011613068623
                   +1 :              -0.00045528025095
                4p
                   -1 :              -0.00010546847373
                   +0 :               0.00002369330258
                   +1 :               0.00004393081211
                3d
                   -2 :              -0.00010035128270
                   -1 :              -0.00006641538590
                   +0 :              -0.00000916894629
                   +1 :               0.00015153536266
                   +2 :               0.00002995121138
              7 vec=    -2.383842      1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00004793941060
                2p
                   -1 :              -0.00003031148667
                   +0 :               0.00001811864491
                   +1 :              -0.00000677635723
                3s
                   +0 :              -0.00013852110431
                4s
                   +0 :               0.00006405241088
                3p
                   -1 :               0.00014708851025
                   +0 :              -0.00003264652379
                   +1 :               0.00010023140320
                4p
                   -1 :              -0.00000117637009
                   +0 :               0.00002263300528
                   +1 :              -0.00001570644788
                3d
                   -2 :              -0.00006532354501
                   -1 :               0.00003135778086
                   +0 :              -0.00000109884312
                   +1 :              -0.00000891115608
                   +2 :              -0.00000106242024
              8 vec=   -10.164004      5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00012314701749
                2p
                   -1 :               0.00004372141520
                   +0 :              -0.00000278505778
                   +1 :              -0.00003271653691
                3s
                   +0 :              -0.00046858138241
                4s
                   +0 :               0.00012255667552
                3p
                   -1 :              -0.00015657057289
                   +0 :              -0.00025140431341
                   +1 :              -0.00009971932007
                4p
                   -1 :               0.00004179451404
                   +0 :               0.00002910701809
                   +1 :              -0.00001888758830
                3d
                   -2 :               0.00005991351883
                   -1 :              -0.00000042165033
                   +0 :               0.00005529954656
                   +1 :               0.00016916781117
                   +2 :               0.00019038107037
              9 vec=     5.396321     -3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00000508875158
                2p
                   -1 :              -0.00004760398565
                   +0 :               0.00001052812759
                   +1 :              -0.00001901771251
                3s
                   +0 :              -0.00020760649838
                4s
                   +0 :               0.00008279059028
                3p
                   -1 :               0.00017847112337
                   +0 :              -0.00013886549378
                   +1 :               0.00015645196055
                4p
                   -1 :              -0.00004870798556
                   +0 :               0.00004016922533
                   +1 :              -0.00002001719123
                3d
                   -2 :              -0.00004068335045
                   -1 :               0.00002079574648
                   +0 :              -0.00003763268542
                   +1 :              -0.00000483589625
                   +2 :               0.00000433280988
             10 vec=     5.396321    -12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00004856587479
                2p
                   -1 :              -0.00001471599596
                   +0 :              -0.00002185880009
                   +1 :              -0.00000562117004
                3s
                   +0 :              -0.00030921006439
                4s
                   +0 :               0.00011158316734
                3p
                   -1 :               0.00021137287472
                   +0 :               0.00016066753080
                   +1 :               0.00000567420299
                4p
                   -1 :              -0.00004786330997
                   +0 :              -0.00005242934126
                   +1 :               0.00004044096560
                3d
                   -2 :              -0.00006648955127
                   -1 :              -0.00004364108620
                   +0 :               0.00004086139679
                   +1 :              -0.00004427917843
                   +2 :               0.00006308207218
             11 vec=    13.176483      1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00001876271133
                2p
                   -1 :              -0.00000485361379
                   +0 :              -0.00003112206262
                   +1 :               0.00006423766655
                3s
                   +0 :              -0.00009226984840
                4s
                   +0 :               0.00001610625555
                3p
                   -1 :               0.00006215695625
                   +0 :               0.00020989615375
                   +1 :              -0.00033440307485
                4p
                   -1 :              -0.00004920261181
                   +0 :              -0.00004262168735
                   +1 :               0.00008416413648
                3d
                   -2 :               0.00005312825513
                   -1 :               0.00001930135551
                   +0 :              -0.00002446466974
                   +1 :               0.00010304794775
                   +2 :              -0.00007881358124
             12 vec=    -2.383842     -7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00004755902152
                2p
                   -1 :               0.00001977393929
                   +0 :              -0.00000362001788
                   +1 :               0.00006027450825
                3s
                   +0 :              -0.00017493483415
                4s
                   +0 :              -0.00003353320772
                3p
                   -1 :              -0.00009251169981
                   +0 :               0.00007499229899
                   +1 :              -0.00020638324907
                4p
                   -1 :               0.00003306601835
                   +0 :              -0.00005821164185
                   +1 :               0.00006071875774
                3d
                   -2 :              -0.00003502623842
                   -1 :              -0.00004113704398
                   +0 :               0.00008904694525
                   +1 :              -0.00001856464511
                   +2 :              -0.00005438908622
             13 vec=     5.396321      5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00006389104608
                2p
                   -1 :              -0.00002129382128
                   +0 :              -0.00002925239178
                   +1 :               0.00002789069016
                3s
                   +0 :               0.00006088715435
                4s
                   +0 :              -0.00002283591674
                3p
                   -1 :              -0.00001661504299
                   +0 :              -0.00000983377193
                   +1 :              -0.00013529239163
                4p
                   -1 :               0.00000349605230
                   +0 :              -0.00001778823818
                   +1 :               0.00003200484125
                3d
                   -2 :              -0.00004372382989
                   -1 :              -0.00004140498295
                   +0 :              -0.00005034020193
                   +1 :              -0.00003256315455
                   +2 :              -0.00001957872320
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al(  5)  npairs=  15
              1 vec=     2.802933      1.376312     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00055946536296
                2p
                   -1 :               0.00003848545339
                   +0 :               0.00013880420294
                   +1 :              -0.00029934516126
                3s
                   +0 :              -0.00181431745870
                4s
                   +0 :               0.00037277291374
                3p
                   -1 :              -0.00093955313842
                   +0 :              -0.00049568766373
                   +1 :               0.00118469579497
                4p
                   -1 :              -0.00001413703321
                   +0 :              -0.00003516087106
                   +1 :              -0.00032533244258
                3d
                   -2 :               0.00001583331312
                   -1 :              -0.00023297335952
                   +0 :               0.00031788101725
                   +1 :               0.00001811734242
                   +2 :              -0.00038540303618
              2 vec=    -4.977229     -3.115567     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00038247455360
                2p
                   -1 :              -0.00035000537557
                   +0 :               0.00011381175190
                   +1 :               0.00002655093061
                3s
                   +0 :              -0.00123775781973
                4s
                   +0 :               0.00019250497060
                3p
                   -1 :               0.00180957802434
                   +0 :              -0.00032739946311
                   +1 :              -0.00025615010270
                4p
                   -1 :              -0.00032665804849
                   +0 :               0.00004181697066
                   +1 :               0.00009192558292
                3d
                   -2 :               0.00007104405265
                   -1 :               0.00039551355504
                   +0 :               0.00028580004225
                   +1 :              -0.00016829053474
                   +2 :               0.00017146812968
              3 vec=    -4.977229      5.868191     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00013059766000
                2p
                   -1 :               0.00006640828591
                   +0 :               0.00001488480412
                   +1 :              -0.00011054620722
                3s
                   +0 :               0.00174835265231
                4s
                   +0 :              -0.00021810183413
                3p
                   -1 :               0.00029708038981
                   +0 :               0.00088498877478
                   +1 :              -0.00019168189485
                4p
                   -1 :               0.00000140707348
                   +0 :              -0.00001794163646
                   +1 :              -0.00011825012229
                3d
                   -2 :              -0.00012442582262
                   -1 :               0.00016570605014
                   +0 :               0.00003247943160
                   +1 :              -0.00016590025899
                   +2 :               0.00005199075010
              4 vec=     2.802933     -7.607446     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00007577836985
                2p
                   -1 :              -0.00014231660771
                   +0 :              -0.00005587096035
                   +1 :              -0.00007875657445
                3s
                   +0 :              -0.00106341784756
                4s
                   +0 :               0.00026720380923
                3p
                   -1 :               0.00124583190938
                   +0 :              -0.00067202482128
                   +1 :               0.00022031714438
                4p
                   -1 :              -0.00018869777286
                   +0 :               0.00021266634775
                   +1 :               0.00005786619068
                3d
                   -2 :               0.00003075523664
                   -1 :               0.00031365341537
                   +0 :              -0.00029108327207
                   +1 :               0.00021788601364
                   +2 :               0.00015586048542
              5 vec=     2.802933      1.376312    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00001162368648
                2p
                   -1 :               0.00006531780275
                   +0 :               0.00004071251920
                   +1 :              -0.00001465302714
                3s
                   +0 :               0.00017465166445
                4s
                   +0 :              -0.00005819126471
                3p
                   -1 :              -0.00034709229937
                   +0 :              -0.00027775473186
                   +1 :               0.00000750066711
                4p
                   -1 :               0.00009961525851
                   +0 :               0.00009078407922
                   +1 :               0.00001129601595
                3d
                   -2 :               0.00001581604131
                   -1 :              -0.00001230453542
                   +0 :               0.00003688902727
                   +1 :              -0.00001031569921
                   +2 :               0.00001477325738
              6 vec=    -4.977229     -3.115567    -13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00008624835943
                2p
                   -1 :              -0.00000082623383
                   +0 :               0.00003049453913
                   +1 :              -0.00004343479230
                3s
                   +0 :               0.00043365330289
                4s
                   +0 :              -0.00010535534059
                3p
                   -1 :              -0.00005348598709
                   +0 :              -0.00028344400468
                   +1 :               0.00016234339708
                4p
                   -1 :               0.00003763898997
                   +0 :               0.00007913435529
                   +1 :              -0.00005924079390
                3d
                   -2 :               0.00005252824687
                   -1 :               0.00004848690896
                   +0 :               0.00001684450445
                   +1 :               0.00003919220435
                   +2 :              -0.00002242721089
              7 vec=     2.802933     10.360070     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00005129864815
                2p
                   -1 :              -0.00002534779609
                   +0 :               0.00002832572780
                   +1 :               0.00004644928042
                3s
                   +0 :               0.00046209860928
                4s
                   +0 :              -0.00005437562772
                3p
                   -1 :               0.00014195767525
                   +0 :              -0.00003243628545
                   +1 :              -0.00001768765785
                4p
                   -1 :              -0.00002343574070
                   +0 :               0.00002660628000
                   +1 :               0.00003831475596
                3d
                   -2 :               0.00005312760615
                   -1 :              -0.00001456816154
                   +0 :               0.00000254489377
                   +1 :               0.00003018300534
                   +2 :               0.00003266769163
              8 vec=    10.583096     -3.115567     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00010324890326
                2p
                   -1 :               0.00000898665264
                   +0 :              -0.00005493849034
                   +1 :              -0.00001917797091
                3s
                   +0 :               0.00007029566349
                4s
                   +0 :              -0.00001134765767
                3p
                   -1 :              -0.00013912175089
                   +0 :               0.00020151341927
                   +1 :              -0.00017974087749
                4p
                   -1 :               0.00000567980964
                   +0 :              -0.00006334344507
                   +1 :               0.00009961486170
                3d
                   -2 :              -0.00000924150096
                   -1 :              -0.00005345198909
                   +0 :               0.00001154412739
                   +1 :              -0.00002285395396
                   +2 :              -0.00005523308479
              9 vec=    -4.977229      5.868191    -13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00003175968514
                2p
                   -1 :               0.00001305858922
                   +0 :               0.00004517947964
                   +1 :               0.00002204788426
                3s
                   +0 :              -0.00018050929105
                4s
                   +0 :               0.00004615337846
                3p
                   -1 :              -0.00012960326887
                   +0 :              -0.00022995362941
                   +1 :              -0.00016645575797
                4p
                   -1 :               0.00002242823784
                   +0 :               0.00008590714915
                   +1 :               0.00005135180053
                3d
                   -2 :              -0.00000099499898
                   -1 :               0.00000659834531
                   +0 :               0.00005532202820
                   +1 :               0.00004067548211
                   +2 :              -0.00000790255025
             10 vec=     2.802933     -7.607446    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00002903502313
                2p
                   -1 :               0.00000274032299
                   +0 :               0.00003228997157
                   +1 :               0.00004886099185
                3s
                   +0 :               0.00026102973501
                4s
                   +0 :               0.00002047043148
                3p
                   -1 :              -0.00000553022891
                   +0 :              -0.00012809141417
                   +1 :              -0.00011349026946
                4p
                   -1 :              -0.00003819183189
                   +0 :               0.00000553017499
                   +1 :               0.00003252303725
                3d
                   -2 :               0.00002803318895
                   -1 :              -0.00000074878184
                   +0 :               0.00001290885295
                   +1 :              -0.00005119462566
                   +2 :               0.00002402875044
             11 vec=    10.583096      5.868191     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00018651072627
                2p
                   -1 :               0.00003907753493
                   +0 :               0.00009861332685
                   +1 :               0.00007029659304
                3s
                   +0 :              -0.00067789612139
                4s
                   +0 :               0.00023520396031
                3p
                   -1 :              -0.00017656001545
                   +0 :              -0.00051557475734
                   +1 :              -0.00033923234509
                4p
                   -1 :               0.00004395263660
                   +0 :               0.00015037129125
                   +1 :               0.00005799265847
                3d
                   -2 :               0.00000375638051
                   -1 :              -0.00006307203228
                   +0 :              -0.00006950065013
                   +1 :              -0.00010202196067
                   +2 :              -0.00002706481382
             12 vec=   -12.757392      1.376312     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00001140823279
                2p
                   -1 :              -0.00000976982868
                   +0 :               0.00004431391092
                   +1 :              -0.00002494868790
                3s
                   +0 :               0.00006050151395
                4s
                   +0 :               0.00004867778800
                3p
                   -1 :               0.00009135943906
                   +0 :              -0.00019706251211
                   +1 :               0.00006157406156
                4p
                   -1 :              -0.00001836549377
                   +0 :               0.00007224517839
                   +1 :              -0.00003625212883
                3d
                   -2 :              -0.00006406556732
                   -1 :               0.00003628816545
                   +0 :              -0.00006034607797
                   +1 :               0.00003875223430
                   +2 :              -0.00002614284522
             13 vec=    -4.977229    -12.099325     10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00011735564829
                2p
                   -1 :              -0.00002871456600
                   +0 :               0.00003573960172
                   +1 :               0.00003547671545
                3s
                   +0 :              -0.00047074132728
                4s
                   +0 :               0.00008677789208
                3p
                   -1 :               0.00009702607777
                   +0 :              -0.00023281580039
                   +1 :              -0.00025269213884
                4p
                   -1 :               0.00002070825759
                   +0 :               0.00003473910660
                   +1 :               0.00010756640882
                3d
                   -2 :               0.00005563370313
                   -1 :               0.00001043793204
                   +0 :              -0.00006242088568
                   +1 :              -0.00000256014170
                   +2 :               0.00002071347824
             14 vec=     2.802933     10.360070    -13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00005086627445
                2p
                   -1 :              -0.00001032718323
                   +0 :               0.00000466412098
                   +1 :               0.00000161274433
                3s
                   +0 :               0.00056348458494
                4s
                   +0 :              -0.00007034216412
                3p
                   -1 :               0.00034582507624
                   +0 :              -0.00011079021596
                   +1 :              -0.00003621577496
                4p
                   -1 :              -0.00001610782390
                   +0 :               0.00003626394453
                   +1 :              -0.00001273535760
                3d
                   -2 :              -0.00003831133718
                   -1 :              -0.00000330282337
                   +0 :              -0.00005480395633
                   +1 :               0.00000876971536
                   +2 :              -0.00006632143574
             15 vec=    10.583096     -3.115567    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00007590704882
                2p
                   -1 :              -0.00001033070127
                   +0 :               0.00000443926765
                   +1 :               0.00004227564882
                3s
                   +0 :              -0.00024733245858
                4s
                   +0 :               0.00005523768565
                3p
                   -1 :               0.00003592277482
                   +0 :              -0.00003880994149
                   +1 :              -0.00023052982966
                4p
                   -1 :              -0.00000161410069
                   +0 :               0.00002299752589
                   +1 :               0.00003996236170
                3d
                   -2 :               0.00000494320792
                   -1 :               0.00000128400066
                   +0 :               0.00004153191843
                   +1 :               0.00000685496732
                   +2 :              -0.00006036753613
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al(  6)  npairs=  13
              1 vec=     2.802933      1.376312     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00067884489260
                2p
                   -1 :               0.00031769025186
                   +0 :               0.00006046275399
                   +1 :              -0.00006754216169
                3s
                   +0 :              -0.00161937009951
                4s
                   +0 :               0.00079758936533
                3p
                   -1 :              -0.00619953099454
                   +0 :               0.00089014909872
                   +1 :               0.00431884762653
                4p
                   -1 :              -0.00005850517381
                   +0 :               0.00005616885868
                   +1 :              -0.00116444328851
                3d
                   -2 :              -0.00013452732553
                   -1 :               0.00256360843427
                   +0 :              -0.00030463987304
                   +1 :              -0.00048634569463
                   +2 :               0.00145227332155
              2 vec=    -4.977229     -3.115567     -6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00093795230420
                2p
                   -1 :              -0.00038289210953
                   +0 :              -0.00021987131189
                   +1 :              -0.00018556197169
                3s
                   +0 :              -0.00626082524779
                4s
                   +0 :               0.00269227971095
                3p
                   -1 :               0.00394704084641
                   +0 :               0.00374870057685
                   +1 :               0.00198696580076
                4p
                   -1 :              -0.00121179966799
                   +0 :              -0.00087327504819
                   +1 :              -0.00019083299309
                3d
                   -2 :              -0.00142747453486
                   -1 :              -0.00146474005914
                   +0 :              -0.00025542037158
                   +1 :              -0.00107784109900
                   +2 :               0.00037443777038
              3 vec=    -4.977229      5.868191     -6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00107221973674
                2p
                   -1 :              -0.00018529250487
                   +0 :              -0.00070985202666
                   +1 :              -0.00023724349517
                3s
                   +0 :              -0.00683324094544
                4s
                   +0 :               0.00153875870043
                3p
                   -1 :              -0.00038951112574
                   +0 :               0.00664795205510
                   +1 :               0.00021035697119
                4p
                   -1 :              -0.00002853662589
                   +0 :              -0.00108891277631
                   +1 :              -0.00053485395214
                3d
                   -2 :              -0.00011611150979
                   -1 :               0.00104130691276
                   +0 :              -0.00168477377942
                   +1 :               0.00016502055366
                   +2 :              -0.00050035575281
              4 vec=     2.802933     -7.607446     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00176050980939
                2p
                   -1 :              -0.00041772406866
                   +0 :              -0.00041341992807
                   +1 :               0.00044251228003
                3s
                   +0 :              -0.00779636541456
                4s
                   +0 :               0.00228217412547
                3p
                   -1 :               0.00287089878082
                   +0 :               0.00316628269349
                   +1 :              -0.00288035012399
                4p
                   -1 :              -0.00065261769724
                   +0 :              -0.00076061214585
                   +1 :               0.00075426858309
                3d
                   -2 :               0.00076261434852
                   -1 :              -0.00034898976169
                   +0 :              -0.00028714083149
                   +1 :               0.00066146927055
                   +2 :              -0.00003617876340
              5 vec=     2.802933     10.360070     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00019848091160
                2p
                   -1 :               0.00021194888900
                   +0 :              -0.00011769889873
                   +1 :              -0.00003544235684
                3s
                   +0 :               0.00005876690279
                4s
                   +0 :               0.00016589230858
                3p
                   -1 :              -0.00074809010715
                   +0 :               0.00025810996973
                   +1 :               0.00025854163900
                4p
                   -1 :               0.00023182742798
                   +0 :              -0.00018093875079
                   +1 :              -0.00009594062258
                3d
                   -2 :               0.00010544814561
                   -1 :               0.00005880748469
                   +0 :               0.00006102439504
                   +1 :              -0.00006595260901
                   +2 :               0.00004645734511
              6 vec=    10.583096     -3.115567     -6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00015596548008
                2p
                   -1 :              -0.00004212074323
                   +0 :              -0.00010310152696
                   +1 :              -0.00007737645427
                3s
                   +0 :               0.00077230828399
                4s
                   +0 :              -0.00027580363402
                3p
                   -1 :               0.00013262184440
                   +0 :               0.00020857558043
                   +1 :               0.00059650175688
                4p
                   -1 :               0.00002207015361
                   +0 :              -0.00003242221599
                   +1 :              -0.00018359521238
                3d
                   -2 :              -0.00003920806598
                   -1 :              -0.00008104713870
                   +0 :              -0.00001857066436
                   +1 :              -0.00000484155183
                   +2 :               0.00007160566155
              7 vec=    10.583096      5.868191     -6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00014944080599
                2p
                   -1 :               0.00008563217386
                   +0 :               0.00006946453835
                   +1 :              -0.00024936521582
                3s
                   +0 :               0.00121168601267
                4s
                   +0 :              -0.00056779490558
                3p
                   -1 :              -0.00014742230469
                   +0 :              -0.00064143912541
                   +1 :               0.00181072399139
                4p
                   -1 :              -0.00008011894089
                   +0 :               0.00021032167591
                   +1 :              -0.00052778710473
                3d
                   -2 :               0.00007831444865
                   -1 :               0.00002779317929
                   +0 :              -0.00006067791622
                   +1 :              -0.00026219500882
                   +2 :               0.00018888413097
              8 vec=   -12.757392      1.376312     -6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00004240683476
                2p
                   -1 :              -0.00011955714410
                   +0 :              -0.00005964063911
                   +1 :               0.00004883559231
                3s
                   +0 :              -0.00020709632093
                4s
                   +0 :              -0.00013690301862
                3p
                   -1 :               0.00059759424405
                   +0 :               0.00018826230958
                   +1 :              -0.00033707247385
                4p
                   -1 :              -0.00014454698282
                   +0 :               0.00005758026612
                   +1 :               0.00018942923523
                3d
                   -2 :              -0.00007301575111
                   -1 :              -0.00007027066574
                   +0 :              -0.00012614361787
                   +1 :              -0.00007257533657
                   +2 :               0.00008319664426
              9 vec=    -4.977229    -12.099325     -6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00010692541109
                2p
                   -1 :               0.00003510221196
                   +0 :              -0.00003716635990
                   +1 :              -0.00017032379325
                3s
                   +0 :               0.00006345440146
                4s
                   +0 :              -0.00002748427336
                3p
                   -1 :              -0.00025175825324
                   +0 :              -0.00005533230009
                   +1 :               0.00068213033431
                4p
                   -1 :               0.00015841178849
                   +0 :              -0.00002593771746
                   +1 :              -0.00010439404684
                3d
                   -2 :              -0.00008677474890
                   -1 :               0.00001532044475
                   +0 :               0.00012360263782
                   +1 :              -0.00003440234858
                   +2 :              -0.00011218927565
             10 vec=   -12.757392     -7.607446     -6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00002006526529
                2p
                   -1 :              -0.00001032572992
                   +0 :               0.00000081063279
                   +1 :               0.00001419542291
                3s
                   +0 :               0.00013894228816
                4s
                   +0 :              -0.00008529256272
                3p
                   -1 :               0.00000921412622
                   +0 :              -0.00001819423637
                   +1 :              -0.00011542680523
                4p
                   -1 :               0.00000212186414
                   +0 :               0.00001204615782
                   +1 :               0.00003887137193
                3d
                   -2 :               0.00001857180987
                   -1 :               0.00002833517805
                   +0 :              -0.00001466553972
                   +1 :               0.00000125425607
                   +2 :               0.00001841687582
             11 vec=    -4.977229     14.851949     -6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00001686318854
                2p
                   -1 :              -0.00000579063464
                   +0 :               0.00002932034846
                   +1 :              -0.00000022965552
                3s
                   +0 :               0.00024952442368
                4s
                   +0 :              -0.00010041562290
                3p
                   -1 :               0.00012334391248
                   +0 :              -0.00024725155371
                   +1 :               0.00003467265267
                4p
                   -1 :              -0.00003192402309
                   +0 :               0.00006276407712
                   +1 :               0.00000985873359
                3d
                   -2 :               0.00003483674695
                   -1 :              -0.00003602199025
                   +0 :               0.00002030998253
                   +1 :              -0.00002251185798
                   +2 :              -0.00001565723554
             12 vec=    10.583096    -12.099325     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00005796074312
                2p
                   -1 :               0.00000454011248
                   +0 :              -0.00000524283421
                   +1 :               0.00001464379289
                3s
                   +0 :              -0.00035933175909
                4s
                   +0 :               0.00005328271101
                3p
                   -1 :               0.00005795683205
                   +0 :               0.00011737195848
                   +1 :              -0.00013612688666
                4p
                   -1 :              -0.00000687475570
                   +0 :              -0.00000360509208
                   +1 :               0.00001428919955
                3d
                   -2 :               0.00004088777576
                   -1 :              -0.00002984620813
                   +0 :               0.00000097313853
                   +1 :               0.00002232447129
                   +2 :              -0.00000669609554
             13 vec=   -12.757392     10.360070     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00001436327441
                2p
                   -1 :               0.00002845581138
                   +0 :               0.00001632339206
                   +1 :              -0.00003975065294
                3s
                   +0 :              -0.00012914999660
                4s
                   +0 :               0.00010846016506
                3p
                   -1 :              -0.00007717497903
                   +0 :              -0.00007650489587
                   +1 :               0.00026406519264
                4p
                   -1 :               0.00004516278225
                   +0 :               0.00000415167930
                   +1 :              -0.00011720067952
                3d
                   -2 :               0.00004867323487
                   -1 :              -0.00001271667134
                   +0 :               0.00002884837531
                   +1 :              -0.00003820542784
                   +2 :              -0.00003748904428
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al(  7)  npairs=  14
              1 vec=     2.802933      1.376312      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00115552129907
                2p
                   -1 :               0.00054086047107
                   +0 :              -0.00108930808774
                   +1 :              -0.00055089950096
                3s
                   +0 :               0.00380379822487
                4s
                   +0 :              -0.00339571450599
                3p
                   -1 :              -0.00352575706795
                   +0 :               0.00830457509109
                   +1 :               0.00393097477700
                4p
                   -1 :               0.00013770843618
                   +0 :              -0.00360036443458
                   +1 :              -0.00133355590850
                3d
                   -2 :               0.00152396023168
                   -1 :               0.00249982808363
                   +0 :               0.00167957342015
                   +1 :              -0.00028032862897
                   +2 :               0.00009520435469
              2 vec=    -4.977229     -3.115567      5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00064809170559
                2p
                   -1 :              -0.00073532668229
                   +0 :              -0.00032535883985
                   +1 :               0.00046501093948
                3s
                   +0 :              -0.00319507483054
                4s
                   +0 :               0.00049390829621
                3p
                   -1 :               0.00670150873157
                   +0 :               0.00302616049590
                   +1 :               0.00050741922284
                4p
                   -1 :              -0.00121159686008
                   +0 :              -0.00050176153769
                   +1 :               0.00051003109235
                3d
                   -2 :              -0.00178547999560
                   -1 :               0.00052436175140
                   +0 :               0.00169715168121
                   +1 :              -0.00134572628849
                   +2 :               0.00039810948139
              3 vec=    -4.977229      5.868191      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00065791086407
                2p
                   -1 :               0.00064984909747
                   +0 :               0.00050538756963
                   +1 :               0.00060073775072
                3s
                   +0 :              -0.00086122045350
                4s
                   +0 :               0.00037237981554
                3p
                   -1 :              -0.00292039225647
                   +0 :              -0.00135554991868
                   +1 :              -0.00299505515097
                4p
                   -1 :               0.00062353797033
                   +0 :               0.00027814097734
                   +1 :               0.00061956404318
                3d
                   -2 :              -0.00030944532464
                   -1 :              -0.00030006715087
                   +0 :               0.00031154076639
                   +1 :              -0.00044495088602
                   +2 :               0.00023909311598
              4 vec=     2.802933     -7.607446      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00212130132570
                2p
                   -1 :               0.00016695431435
                   +0 :               0.00026741011677
                   +1 :              -0.00181676428486
                3s
                   +0 :               0.00539722504470
                4s
                   +0 :              -0.00142126693814
                3p
                   -1 :              -0.00006301234529
                   +0 :              -0.00288512947877
                   +1 :               0.00825509949781
                4p
                   -1 :              -0.00008161764220
                   +0 :               0.00149449371430
                   +1 :              -0.00151978502263
                3d
                   -2 :              -0.00076860415327
                   -1 :               0.00066594614639
                   +0 :              -0.00094228514762
                   +1 :               0.00043445291440
                   +2 :               0.00106330872263
              5 vec=     2.802933     10.360070      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00032296099410
                2p
                   -1 :               0.00026365703653
                   +0 :               0.00015665590460
                   +1 :              -0.00001247819692
                3s
                   +0 :              -0.00068710946403
                4s
                   +0 :               0.00043902818139
                3p
                   -1 :              -0.00114942973730
                   +0 :              -0.00029101346558
                   +1 :              -0.00014383523423
                4p
                   -1 :               0.00042020981858
                   +0 :               0.00011225056486
                   +1 :               0.00004525817454
                3d
                   -2 :              -0.00007623412455
                   -1 :              -0.00015617926616
                   +0 :               0.00009182753782
                   +1 :               0.00001054594827
                   +2 :               0.00011394279523
              6 vec=    10.583096     -3.115567      5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00010807031012
                2p
                   -1 :               0.00015349428558
                   +0 :              -0.00009365165301
                   +1 :              -0.00012504580407
                3s
                   +0 :               0.00011377538506
                4s
                   +0 :              -0.00002281135839
                3p
                   -1 :              -0.00044617682250
                   +0 :               0.00017682402098
                   +1 :               0.00048763588427
                4p
                   -1 :               0.00009845698884
                   +0 :               0.00000497234200
                   +1 :              -0.00002638757128
                3d
                   -2 :              -0.00013997540477
                   -1 :              -0.00004761720066
                   +0 :              -0.00000084902180
                   +1 :               0.00020603767466
                   +2 :               0.00028257521217
              7 vec=    10.583096      5.868191      5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00012463571303
                2p
                   -1 :              -0.00002796335818
                   +0 :              -0.00004761997285
                   +1 :               0.00004786991022
                3s
                   +0 :              -0.00033792621238
                4s
                   +0 :               0.00013633736614
                3p
                   -1 :               0.00002744606906
                   +0 :               0.00018366291568
                   +1 :              -0.00024761813451
                4p
                   -1 :               0.00000058230536
                   +0 :              -0.00000863005285
                   +1 :               0.00010264463306
                3d
                   -2 :              -0.00001299749010
                   -1 :              -0.00007144066639
                   +0 :               0.00004800587899
                   +1 :               0.00008627485746
                   +2 :               0.00005674109781
              8 vec=   -12.757392      1.376312      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00041876028900
                2p
                   -1 :              -0.00016036924937
                   +0 :               0.00009338359331
                   +1 :              -0.00011743237423
                3s
                   +0 :              -0.00114040234472
                4s
                   +0 :               0.00023312113361
                3p
                   -1 :               0.00073632344340
                   +0 :              -0.00035215259400
                   +1 :               0.00037809742129
                4p
                   -1 :              -0.00017815765023
                   +0 :               0.00011394352220
                   +1 :               0.00001730993101
                3d
                   -2 :              -0.00013107471530
                   -1 :               0.00017409033339
                   +0 :               0.00004664342136
                   +1 :               0.00008191021647
                   +2 :              -0.00006610096804
              9 vec=    -4.977229    -12.099325      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00005589127921
                2p
                   -1 :               0.00012023154180
                   +0 :              -0.00006739476301
                   +1 :              -0.00001048932433
                3s
                   +0 :               0.00018878695134
                4s
                   +0 :              -0.00014641650296
                3p
                   -1 :              -0.00071544778307
                   +0 :               0.00019803594379
                   +1 :               0.00009720578245
                4p
                   -1 :               0.00020346770010
                   +0 :              -0.00004016163842
                   +1 :               0.00000802543603
                3d
                   -2 :               0.00004877022497
                   -1 :              -0.00010953103650
                   +0 :              -0.00010599028950
                   +1 :               0.00008354395384
                   +2 :              -0.00003758442173
             10 vec=   -12.757392     -7.607446      5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00013765705924
                2p
                   -1 :               0.00006719358308
                   +0 :              -0.00004500159771
                   +1 :               0.00008916833973
                3s
                   +0 :               0.00049331904171
                4s
                   +0 :              -0.00010846515187
                3p
                   -1 :              -0.00036026376491
                   +0 :               0.00018287270912
                   +1 :              -0.00049082221836
                4p
                   -1 :               0.00008706122142
                   +0 :              -0.00002133488726
                   +1 :               0.00009498592430
                3d
                   -2 :               0.00011418606674
                   -1 :              -0.00006108512804
                   +0 :              -0.00007212215277
                   +1 :              -0.00003328390634
                   +2 :               0.00007320099416
             11 vec=    -4.977229     14.851949      5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00004125959295
                2p
                   -1 :               0.00001347903929
                   +0 :               0.00000599100765
                   +1 :              -0.00000983440408
                3s
                   +0 :               0.00009034625880
                4s
                   +0 :               0.00000527301167
                3p
                   -1 :               0.00006776776432
                   +0 :               0.00001636164327
                   +1 :               0.00010331949772
                4p
                   -1 :              -0.00001206788921
                   +0 :              -0.00000813751570
                   +1 :              -0.00003259300655
                3d
                   -2 :               0.00001349288606
                   -1 :              -0.00002000638616
                   +0 :              -0.00000523768749
                   +1 :               0.00001512935577
                   +2 :               0.00000343447836
             12 vec=    10.583096    -12.099325      5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00015872593935
                2p
                   -1 :               0.00005441399873
                   +0 :              -0.00005163176725
                   +1 :              -0.00009524148191
                3s
                   +0 :               0.00047371859545
                4s
                   +0 :              -0.00018691428565
                3p
                   -1 :              -0.00031075619526
                   +0 :               0.00023620096683
                   +1 :               0.00046241994737
                4p
                   -1 :               0.00010197268077
                   +0 :              -0.00004922027358
                   +1 :              -0.00010346528704
                3d
                   -2 :              -0.00008671783809
                   -1 :              -0.00007948151326
                   +0 :               0.00000122669764
                   +1 :               0.00014076509318
                   +2 :               0.00006567034844
             13 vec=   -12.757392     10.360070      5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00004336549186
                2p
                   -1 :              -0.00004015229836
                   +0 :               0.00002166495229
                   +1 :               0.00000936416392
                3s
                   +0 :               0.00015378963503
                4s
                   +0 :              -0.00004515271033
                3p
                   -1 :               0.00019621028141
                   +0 :              -0.00006843527093
                   +1 :              -0.00005577400641
                4p
                   -1 :              -0.00006351474444
                   +0 :               0.00000154671425
                   +1 :               0.00000774773916
                3d
                   -2 :              -0.00001965106706
                   -1 :               0.00000504609507
                   +0 :               0.00001551756685
                   +1 :               0.00000175209772
                   +2 :               0.00000381338758
             14 vec=     2.802933    -16.591204      5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00002120537229
                2p
                   -1 :              -0.00000693552614
                   +0 :               0.00002029058866
                   +1 :              -0.00000525634399
                3s
                   +0 :              -0.00020452746095
                4s
                   +0 :               0.00006408689981
                3p
                   -1 :               0.00008394858500
                   +0 :              -0.00005094539328
                   +1 :              -0.00004145707789
                4p
                   -1 :              -0.00002009616200
                   +0 :              -0.00002165619133
                   +1 :               0.00004153087280
                3d
                   -2 :              -0.00005545031383
                   -1 :               0.00000960765206
                   +0 :              -0.00000732371856
                   +1 :               0.00005052815956
                   +2 :              -0.00001919082256
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al(  8)  npairs=  14
              1 vec=     2.802933      1.376312     -1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02180568994059
                2p
                   -1 :               0.00285512307721
                   +0 :              -0.01261883361630
                   +1 :               0.02055254609338
                3s
                   +0 :               0.03553874544721
                4s
                   +0 :               0.01089604626134
                3p
                   -1 :              -0.02757740279169
                   +0 :              -0.02231548232648
                   +1 :               0.03630666632410
                4p
                   -1 :               0.00586443194541
                   +0 :              -0.00625800368816
                   +1 :               0.01063931688558
                3d
                   -2 :              -0.00670637163907
                   -1 :               0.00288294493910
                   +0 :               0.00395456063463
                   +1 :              -0.02947345761099
                   +2 :               0.03267744261023
              2 vec=    -4.977229     -3.115567     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00125684670454
                2p
                   -1 :               0.00030138719787
                   +0 :              -0.00128993027368
                   +1 :              -0.00091752815468
                3s
                   +0 :               0.00108041083918
                4s
                   +0 :               0.00261585501662
                3p
                   -1 :              -0.00231567249534
                   +0 :               0.00608063157747
                   +1 :               0.00482549173750
                4p
                   -1 :               0.00067182117728
                   +0 :              -0.00227047053920
                   +1 :              -0.00228153071317
                3d
                   -2 :              -0.00339832525771
                   -1 :              -0.00082782488980
                   +0 :               0.00212742014808
                   +1 :              -0.00145047497535
                   +2 :              -0.00056006931896
              3 vec=    -4.977229      5.868191     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00058852435222
                2p
                   -1 :              -0.00050502398700
                   +0 :               0.00074955590613
                   +1 :               0.00047456356058
                3s
                   +0 :               0.01082904464580
                4s
                   +0 :              -0.00106457704422
                3p
                   -1 :               0.00605678030540
                   +0 :              -0.01211382140046
                   +1 :              -0.01265904022926
                4p
                   -1 :              -0.00132593121247
                   +0 :               0.00074024275691
                   +1 :               0.00071574184917
                3d
                   -2 :              -0.00290456831523
                   -1 :              -0.00266505240788
                   +0 :              -0.00130392035341
                   +1 :               0.00215817891885
                   +2 :               0.00201842398291
              4 vec=     2.802933     -7.607446     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00054452104532
                2p
                   -1 :               0.00049340063986
                   +0 :              -0.00061045068167
                   +1 :              -0.00141787757340
                3s
                   +0 :              -0.00841058104804
                4s
                   +0 :               0.00122556386022
                3p
                   -1 :               0.00008932000972
                   +0 :               0.00876675628615
                   +1 :               0.01248695775275
                4p
                   -1 :               0.00026422330812
                   +0 :              -0.00136619432257
                   +1 :              -0.00190779732260
                3d
                   -2 :              -0.00395590652947
                   -1 :              -0.00237056047394
                   +0 :              -0.00148154482190
                   +1 :              -0.00280566877393
                   +2 :              -0.00111643720521
              5 vec=     2.802933     10.360070     -1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00052083453986
                2p
                   -1 :              -0.00020679405767
                   +0 :              -0.00002849660001
                   +1 :              -0.00034286431149
                3s
                   +0 :               0.00347264741496
                4s
                   +0 :              -0.00071130961359
                3p
                   -1 :               0.00170621960268
                   +0 :              -0.00036565129033
                   +1 :               0.00177186472564
                4p
                   -1 :              -0.00034658036221
                   +0 :               0.00008051150695
                   +1 :              -0.00024801905702
                3d
                   -2 :               0.00044625177220
                   -1 :              -0.00003169638625
                   +0 :              -0.00015038371787
                   +1 :              -0.00022120644447
                   +2 :               0.00002193087876
              6 vec=    10.583096     -3.115567     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00048985873594
                2p
                   -1 :              -0.00009893025776
                   +0 :               0.00019694956949
                   +1 :               0.00014344426295
                3s
                   +0 :              -0.00303307321960
                4s
                   +0 :               0.00057888420854
                3p
                   -1 :              -0.00001674571127
                   +0 :              -0.00015084355613
                   +1 :              -0.00203127417337
                4p
                   -1 :              -0.00013519672454
                   +0 :               0.00020610102103
                   +1 :               0.00016891773497
                3d
                   -2 :              -0.00013493341488
                   -1 :               0.00031701577922
                   +0 :              -0.00001020482807
                   +1 :               0.00015765480433
                   +2 :              -0.00062235395350
              7 vec=    10.583096      5.868191     -1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00005750187047
                2p
                   -1 :               0.00003490892530
                   +0 :              -0.00009451819557
                   +1 :               0.00003751471819
                3s
                   +0 :               0.00027508154682
                4s
                   +0 :               0.00019699824656
                3p
                   -1 :               0.00030634160491
                   +0 :              -0.00001420947499
                   +1 :              -0.00005586785655
                4p
                   -1 :               0.00006915478388
                   +0 :               0.00003237751041
                   +1 :               0.00014308498931
                3d
                   -2 :              -0.00001445883784
                   -1 :               0.00011778052169
                   +0 :              -0.00010789471417
                   +1 :               0.00009647854375
                   +2 :              -0.00004407485796
              8 vec=   -12.757392      1.376312     -1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00003257654609
                2p
                   -1 :              -0.00004074881256
                   +0 :               0.00020687009649
                   +1 :              -0.00005223300644
                3s
                   +0 :              -0.00004307855191
                4s
                   +0 :               0.00013094233751
                3p
                   -1 :               0.00047662519211
                   +0 :              -0.00142177812651
                   +1 :               0.00030686783638
                4p
                   -1 :              -0.00004488979683
                   +0 :               0.00027231089962
                   +1 :              -0.00013810046848
                3d
                   -2 :              -0.00002978811141
                   -1 :              -0.00010586004816
                   +0 :              -0.00014697346809
                   +1 :               0.00025650130730
                   +2 :              -0.00012205550014
              9 vec=    -4.977229    -12.099325     -1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00007845701263
                2p
                   -1 :               0.00001345169331
                   +0 :              -0.00014310829339
                   +1 :              -0.00009792975168
                3s
                   +0 :              -0.00249592361164
                4s
                   +0 :               0.00052015848331
                3p
                   -1 :               0.00238793164102
                   +0 :               0.00229515121192
                   +1 :               0.00036812139068
                4p
                   -1 :              -0.00035758516550
                   +0 :              -0.00028349670551
                   +1 :              -0.00028550446868
                3d
                   -2 :              -0.00001837358014
                   -1 :              -0.00079729521596
                   +0 :               0.00006285862606
                   +1 :              -0.00020775288197
                   +2 :               0.00057118355142
             10 vec=   -12.757392     -7.607446     -1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00003620869724
                2p
                   -1 :              -0.00000886757762
                   +0 :               0.00004252326888
                   +1 :               0.00001920823771
                3s
                   +0 :              -0.00016410599333
                4s
                   +0 :              -0.00000562254207
                3p
                   -1 :              -0.00008015865379
                   +0 :              -0.00022450647766
                   +1 :              -0.00012726567884
                4p
                   -1 :              -0.00001095767002
                   +0 :               0.00007302119578
                   +1 :               0.00006701405548
                3d
                   -2 :               0.00002412713810
                   -1 :               0.00008494555448
                   +0 :              -0.00005107086366
                   +1 :               0.00001857381968
                   +2 :               0.00009068071539
             11 vec=    -4.977229     14.851949     -1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00011924334610
                2p
                   -1 :              -0.00006303840053
                   +0 :               0.00002946634479
                   +1 :               0.00001928757361
                3s
                   +0 :               0.00025809236218
                4s
                   +0 :              -0.00007020636631
                3p
                   -1 :               0.00028790063780
                   +0 :              -0.00025942888628
                   +1 :              -0.00003545713158
                4p
                   -1 :              -0.00003154060318
                   +0 :               0.00008939527241
                   +1 :              -0.00000967207396
                3d
                   -2 :              -0.00001374994085
                   -1 :              -0.00002625533025
                   +0 :              -0.00009002600039
                   +1 :               0.00001615936265
                   +2 :              -0.00008447487024
             12 vec=    10.583096    -12.099325     -1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00006226270975
                2p
                   -1 :              -0.00000811523353
                   +0 :               0.00001142682132
                   +1 :              -0.00003131403582
                3s
                   +0 :              -0.00021948261079
                4s
                   +0 :              -0.00000437494174
                3p
                   -1 :              -0.00009578868504
                   +0 :              -0.00007273148270
                   +1 :               0.00015214867569
                4p
                   -1 :               0.00007405191512
                   +0 :               0.00003815746891
                   +1 :              -0.00008388770389
                3d
                   -2 :              -0.00002850285028
                   -1 :              -0.00001752617342
                   +0 :               0.00003193848586
                   +1 :              -0.00004141562970
                   +2 :               0.00003906750325
             13 vec=   -12.757392     10.360070     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00000659615737
                2p
                   -1 :              -0.00001134431351
                   +0 :               0.00001537359268
                   +1 :               0.00001165054745
                3s
                   +0 :              -0.00014474922313
                4s
                   +0 :               0.00003659953865
                3p
                   -1 :               0.00008018433548
                   +0 :              -0.00009004054400
                   +1 :               0.00001683763870
                4p
                   -1 :              -0.00001243152692
                   +0 :               0.00001819628479
                   +1 :              -0.00000267342883
                3d
                   -2 :              -0.00001939687340
                   -1 :              -0.00000811057770
                   +0 :               0.00002145185491
                   +1 :               0.00003259097759
                   +2 :              -0.00000247007208
             14 vec=     2.802933    -16.591204     -1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00002583813998
                2p
                   -1 :               0.00002168319301
                   +0 :              -0.00002299423487
                   +1 :              -0.00003213269899
                3s
                   +0 :              -0.00002347618377
                4s
                   +0 :              -0.00000635690444
                3p
                   -1 :               0.00004403337180
                   +0 :               0.00036013469536
                   +1 :               0.00016007647609
                4p
                   -1 :               0.00000187225521
                   +0 :              -0.00007379780936
                   +1 :              -0.00003622515351
                3d
                   -2 :              -0.00006880683245
                   -1 :              -0.00004870079709
                   +0 :               0.00002463099058
                   +1 :               0.00000861887543
                   +2 :               0.00000969141546
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al(  9)  npairs=  14
              1 vec=     0.209546     -3.115567     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00263833983990
                2p
                   -1 :              -0.00029836444909
                   +0 :              -0.00199255126982
                   +1 :               0.00053358185878
                3s
                   +0 :              -0.00751968715849
                4s
                   +0 :               0.00434477941716
                3p
                   -1 :               0.00162563019536
                   +0 :               0.01439986281510
                   +1 :              -0.00234462797468
                4p
                   -1 :              -0.00086442412820
                   +0 :              -0.00537515414910
                   +1 :               0.00048060284763
                3d
                   -2 :               0.00012569233719
                   -1 :              -0.00160887926642
                   +0 :              -0.00409471561331
                   +1 :               0.00069756539801
                   +2 :               0.00156761964539
              2 vec=     0.209546      5.868191     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00035193084730
                2p
                   -1 :              -0.00006410122940
                   +0 :               0.00059971884482
                   +1 :              -0.00043569280017
                3s
                   +0 :               0.00728981808950
                4s
                   +0 :              -0.00128658939821
                3p
                   -1 :               0.00409083738621
                   +0 :              -0.00225137696715
                   +1 :               0.00213462389568
                4p
                   -1 :              -0.00011575900189
                   +0 :               0.00114391465026
                   +1 :              -0.00092125586236
                3d
                   -2 :              -0.00033217899105
                   -1 :               0.00003430587052
                   +0 :              -0.00190759237255
                   +1 :              -0.00044541825001
                   +2 :              -0.00068985559221
              3 vec=    -7.570617      1.376312     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00085699062958
                2p
                   -1 :               0.00049272704395
                   +0 :               0.00030597285824
                   +1 :               0.00072445224162
                3s
                   +0 :               0.00539788805862
                4s
                   +0 :              -0.00002009949576
                3p
                   -1 :              -0.00279362238285
                   +0 :              -0.00109524823272
                   +1 :              -0.00513422502929
                4p
                   -1 :               0.00018148437001
                   +0 :              -0.00014183911994
                   +1 :               0.00032965372596
                3d
                   -2 :               0.00190972905196
                   -1 :               0.00048514084701
                   +0 :               0.00000488523612
                   +1 :               0.00043763849433
                   +2 :               0.00080308391264
              4 vec=     7.989708      1.376312     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00015289368649
                2p
                   -1 :              -0.00064102035535
                   +0 :               0.00043756156878
                   +1 :              -0.00042723436080
                3s
                   +0 :               0.00159582535749
                4s
                   +0 :              -0.00042615586635
                3p
                   -1 :               0.00293567548261
                   +0 :              -0.00268323195811
                   +1 :               0.00318495289764
                4p
                   -1 :              -0.00092692310123
                   +0 :               0.00079645644165
                   +1 :              -0.00104371488862
                3d
                   -2 :               0.00009505237385
                   -1 :              -0.00002479168474
                   +0 :               0.00026337973271
                   +1 :              -0.00104343607883
                   +2 :               0.00060384835057
              5 vec=    -7.570617     -7.607446     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00028950676239
                2p
                   -1 :               0.00017404643764
                   +0 :               0.00009749960130
                   +1 :               0.00014016003620
                3s
                   +0 :               0.00074659264230
                4s
                   +0 :              -0.00014485256879
                3p
                   -1 :              -0.00053599677074
                   +0 :              -0.00072751767658
                   +1 :              -0.00042361270391
                4p
                   -1 :               0.00018656734631
                   +0 :               0.00016415387576
                   +1 :               0.00005761010549
                3d
                   -2 :               0.00006588079246
                   -1 :               0.00020173644115
                   +0 :               0.00010752089387
                   +1 :               0.00023867313191
                   +2 :               0.00010474155886
              6 vec=     7.989708     -7.607446     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00004125019119
                2p
                   -1 :               0.00013372872496
                   +0 :               0.00000210097451
                   +1 :               0.00000331102259
                3s
                   +0 :              -0.00075766695682
                4s
                   +0 :               0.00011439104130
                3p
                   -1 :              -0.00026895871461
                   +0 :               0.00021994013840
                   +1 :              -0.00064844679670
                4p
                   -1 :               0.00006515269806
                   +0 :              -0.00006338921259
                   +1 :               0.00006255771893
                3d
                   -2 :               0.00004742850612
                   -1 :               0.00007517294580
                   +0 :               0.00011000738895
                   +1 :               0.00004770866637
                   +2 :              -0.00011891860887
              7 vec=     0.209546    -12.099325     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00002820092372
                2p
                   -1 :               0.00003046327026
                   +0 :               0.00001639401777
                   +1 :               0.00015489945195
                3s
                   +0 :              -0.00008276187799
                4s
                   +0 :              -0.00031674776905
                3p
                   -1 :              -0.00019082643779
                   +0 :              -0.00013742779032
                   +1 :              -0.00094449732228
                4p
                   -1 :               0.00022829510923
                   +0 :               0.00008903424043
                   +1 :               0.00015547160647
                3d
                   -2 :               0.00012944923777
                   -1 :              -0.00000599819801
                   +0 :               0.00005577131257
                   +1 :               0.00010164579959
                   +2 :              -0.00026449317068
              8 vec=    -7.570617     10.360070     -5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00018032775839
                2p
                   -1 :              -0.00001352070949
                   +0 :              -0.00009713115305
                   +1 :              -0.00020155306862
                3s
                   +0 :              -0.00191269920356
                4s
                   +0 :               0.00011799143545
                3p
                   -1 :              -0.00042602424047
                   +0 :               0.00121878657398
                   +1 :               0.00069235451401
                4p
                   -1 :              -0.00006074202242
                   +0 :              -0.00015725087520
                   +1 :              -0.00031378043629
                3d
                   -2 :              -0.00011363718516
                   -1 :               0.00037990264170
                   +0 :              -0.00020301624874
                   +1 :              -0.00011611310319
                   +2 :               0.00002172042804
              9 vec=     7.989708     10.360070     -5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00011113941275
                2p
                   -1 :               0.00012852969164
                   +0 :              -0.00012773035751
                   +1 :              -0.00003560030753
                3s
                   +0 :              -0.00042425791514
                4s
                   +0 :               0.00008333749577
                3p
                   -1 :              -0.00077392141017
                   +0 :               0.00073635504694
                   +1 :               0.00053250979481
                4p
                   -1 :               0.00021986426654
                   +0 :              -0.00009991310598
                   +1 :              -0.00011501632070
                3d
                   -2 :               0.00009920137028
                   -1 :               0.00020657976354
                   +0 :               0.00004621698114
                   +1 :              -0.00000577750783
                   +2 :               0.00004515261115
             10 vec=     0.209546     14.851949     -5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00016789077342
                2p
                   -1 :               0.00013265118366
                   +0 :              -0.00002795922990
                   +1 :              -0.00001324826695
                3s
                   +0 :              -0.00040746775138
                4s
                   +0 :               0.00015854157413
                3p
                   -1 :              -0.00061759320841
                   +0 :              -0.00001041186655
                   +1 :               0.00007821671118
                4p
                   -1 :               0.00015357563809
                   +0 :               0.00003593815898
                   +1 :              -0.00001648623890
                3d
                   -2 :               0.00005148744713
                   -1 :               0.00005860106552
                   +0 :               0.00007853557693
                   +1 :              -0.00001045391800
                   +2 :               0.00010396817465
             11 vec=   -15.350780     -3.115567     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00000647762924
                2p
                   -1 :              -0.00002149182214
                   +0 :              -0.00002565264480
                   +1 :              -0.00002701414490
                3s
                   +0 :              -0.00015755416495
                4s
                   +0 :               0.00006175561634
                3p
                   -1 :               0.00012490435429
                   +0 :               0.00014456114273
                   +1 :               0.00020191084109
                4p
                   -1 :              -0.00004470929602
                   +0 :              -0.00002281113939
                   +1 :              -0.00006254426382
                3d
                   -2 :              -0.00002913036393
                   -1 :              -0.00001037860167
                   +0 :              -0.00000574215005
                   +1 :              -0.00003850220279
                   +2 :              -0.00002060424023
             12 vec=    15.769871     -3.115567     -5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00004804332204
                2p
                   -1 :               0.00000759624950
                   +0 :              -0.00000718313356
                   +1 :               0.00003302327121
                3s
                   +0 :              -0.00013845693851
                4s
                   +0 :               0.00004930189645
                3p
                   -1 :              -0.00008069330480
                   +0 :               0.00003117370214
                   +1 :              -0.00014668222003
                4p
                   -1 :               0.00000941546482
                   +0 :              -0.00002537757530
                   +1 :               0.00003447354437
                3d
                   -2 :              -0.00002785357225
                   -1 :               0.00000949681470
                   +0 :              -0.00000052419086
                   +1 :               0.00002600972816
                   +2 :              -0.00002359857834
             13 vec=   -15.350780      5.868191     -5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00003032645868
                2p
                   -1 :              -0.00000891847637
                   +0 :               0.00000844576317
                   +1 :              -0.00000899915479
                3s
                   +0 :              -0.00029399622040
                4s
                   +0 :               0.00000034465761
                3p
                   -1 :               0.00012549337758
                   +0 :               0.00007355952098
                   +1 :               0.00006151717408
                4p
                   -1 :              -0.00004256086109
                   +0 :              -0.00001641028977
                   +1 :              -0.00000525135186
                3d
                   -2 :               0.00001357998056
                   -1 :              -0.00003816929090
                   +0 :              -0.00003495846955
                   +1 :              -0.00002778094382
                   +2 :               0.00000250719815
             14 vec=    15.769871      5.868191     -5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00006159135739
                2p
                   -1 :              -0.00000844687400
                   +0 :              -0.00001268156451
                   +1 :              -0.00000561556086
                3s
                   +0 :              -0.00018450767485
                4s
                   +0 :              -0.00005357777786
                3p
                   -1 :               0.00010425083829
                   +0 :               0.00013709740344
                   +1 :               0.00008378604712
                4p
                   -1 :              -0.00001180182631
                   +0 :              -0.00002966565643
                   +1 :              -0.00009085173919
                3d
                   -2 :               0.00001535029885
                   -1 :              -0.00002954848103
                   +0 :              -0.00001670069354
                   +1 :               0.00003522963781
                   +2 :               0.00001844767929
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al( 10)  npairs=  14
              1 vec=     0.209546     -3.115567      1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.04544015894416
                2p
                   -1 :               0.04279995370421
                   +0 :              -0.02827661149535
                   +1 :              -0.00165187264497
                3s
                   +0 :              -0.10878548080169
                4s
                   +0 :              -0.01731410187465
                3p
                   -1 :               0.06915439988756
                   +0 :              -0.05341603558149
                   +1 :              -0.01713940833223
                4p
                   -1 :               0.02404608790018
                   +0 :              -0.01303906822598
                   +1 :               0.00301710171631
                3d
                   -2 :               0.00640850361520
                   -1 :               0.05914592754039
                   +0 :              -0.00401981912422
                   +1 :              -0.00365680549069
                   +2 :               0.03771454308812
              2 vec=     0.209546      5.868191      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00487571268330
                2p
                   -1 :              -0.00337862948240
                   +0 :              -0.00122364337964
                   +1 :               0.00032744176752
                3s
                   +0 :               0.00964076271686
                4s
                   +0 :              -0.00616898983031
                3p
                   -1 :               0.01220877089313
                   +0 :               0.00609585097345
                   +1 :              -0.00211774908737
                4p
                   -1 :              -0.00415656247490
                   +0 :              -0.00217592830128
                   +1 :               0.00112115886584
                3d
                   -2 :              -0.00087253860701
                   -1 :               0.00264195798267
                   +0 :              -0.00364477716463
                   +1 :              -0.00049203575904
                   +2 :              -0.00422086815572
              3 vec=    -7.570617      1.376312      1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00033093804295
                2p
                   -1 :               0.00058462773132
                   +0 :               0.00053212129626
                   +1 :               0.00001752001322
                3s
                   +0 :               0.00035093191246
                4s
                   +0 :               0.00000970838813
                3p
                   -1 :              -0.00071811890789
                   +0 :              -0.00263993403534
                   +1 :               0.00187069067548
                4p
                   -1 :               0.00017636004975
                   +0 :               0.00018108270918
                   +1 :               0.00006717116660
                3d
                   -2 :               0.00022678360616
                   -1 :              -0.00057280864189
                   +0 :               0.00018021872514
                   +1 :               0.00179941720245
                   +2 :              -0.00115174716631
              4 vec=     7.989708      1.376312      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00049488609428
                2p
                   -1 :              -0.00046301722322
                   +0 :              -0.00044174534079
                   +1 :              -0.00008079651724
                3s
                   +0 :               0.00002236143329
                4s
                   +0 :              -0.00091322551350
                3p
                   -1 :               0.00153472784413
                   +0 :               0.00128960820668
                   +1 :              -0.00155261549886
                4p
                   -1 :              -0.00080773418280
                   +0 :              -0.00057499079119
                   +1 :              -0.00030110362298
                3d
                   -2 :              -0.00006979071019
                   -1 :               0.00026155439058
                   +0 :               0.00020535195991
                   +1 :              -0.00086297128508
                   +2 :              -0.00100362765426
              5 vec=    -7.570617     -7.607446      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00071521208753
                2p
                   -1 :              -0.00033021413059
                   +0 :              -0.00025173857162
                   +1 :              -0.00028445259207
                3s
                   +0 :              -0.00200560805412
                4s
                   +0 :               0.00045718101947
                3p
                   -1 :               0.00098103581425
                   +0 :               0.00107464646743
                   +1 :               0.00183134523696
                4p
                   -1 :              -0.00032856672291
                   +0 :              -0.00015110690398
                   +1 :              -0.00014135711154
                3d
                   -2 :              -0.00057671769338
                   -1 :              -0.00016327085076
                   +0 :               0.00041075879646
                   +1 :               0.00022516591247
                   +2 :               0.00034601213818
              6 vec=     7.989708     -7.607446      1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00004159951197
                2p
                   -1 :               0.00008933350112
                   +0 :               0.00014636779543
                   +1 :               0.00032953432483
                3s
                   +0 :              -0.00079035854363
                4s
                   +0 :               0.00079657618178
                3p
                   -1 :              -0.00004789737735
                   +0 :              -0.00085143132744
                   +1 :              -0.00256003945761
                4p
                   -1 :              -0.00014396398846
                   +0 :               0.00017990017011
                   +1 :               0.00080690331570
                3d
                   -2 :               0.00015576743070
                   -1 :               0.00009020582002
                   +0 :               0.00031103430558
                   +1 :              -0.00062601847927
                   +2 :              -0.00092758211626
              7 vec=     0.209546    -12.099325      1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00014712484887
                2p
                   -1 :              -0.00004904069662
                   +0 :               0.00002677196441
                   +1 :               0.00011677881208
                3s
                   +0 :              -0.00082579543751
                4s
                   +0 :              -0.00006223880912
                3p
                   -1 :               0.00061178229616
                   +0 :              -0.00030744983948
                   +1 :              -0.00046869857653
                4p
                   -1 :              -0.00008966140956
                   +0 :              -0.00007474825787
                   +1 :               0.00024688260219
                3d
                   -2 :              -0.00001351807247
                   -1 :              -0.00010598816981
                   +0 :               0.00013904215251
                   +1 :               0.00004253298793
                   +2 :               0.00007078567327
              8 vec=    -7.570617     10.360070      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00010888215652
                2p
                   -1 :               0.00003256858578
                   +0 :               0.00019891051310
                   +1 :              -0.00012224263961
                3s
                   +0 :               0.00165261141332
                4s
                   +0 :              -0.00023673348091
                3p
                   -1 :              -0.00012619511509
                   +0 :              -0.00009503061658
                   +1 :              -0.00056701391812
                4p
                   -1 :              -0.00004297366639
                   +0 :               0.00018401887936
                   +1 :              -0.00006575821630
                3d
                   -2 :               0.00024442502439
                   -1 :              -0.00010981740961
                   +0 :               0.00012006680123
                   +1 :              -0.00035806645138
                   +2 :               0.00038235579763
              9 vec=     7.989708     10.360070      1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00012649564306
                2p
                   -1 :              -0.00003456211674
                   +0 :              -0.00005741220850
                   +1 :              -0.00004069411518
                3s
                   +0 :               0.00181241093398
                4s
                   +0 :              -0.00013738601701
                3p
                   -1 :               0.00031377312115
                   +0 :               0.00134391280700
                   +1 :               0.00129109135824
                4p
                   -1 :               0.00002333188830
                   +0 :              -0.00017347955378
                   +1 :              -0.00004766932327
                3d
                   -2 :               0.00024012664439
                   -1 :               0.00028589773555
                   +0 :               0.00008033059806
                   +1 :               0.00051014457661
                   +2 :               0.00026567558234
             10 vec=     0.209546     14.851949      1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00022080580987
                2p
                   -1 :              -0.00004028089122
                   +0 :               0.00001834222497
                   +1 :               0.00001915987952
                3s
                   +0 :               0.00108725806879
                4s
                   +0 :              -0.00027050033282
                3p
                   -1 :               0.00030065713279
                   +0 :               0.00002027427200
                   +1 :              -0.00009237973591
                4p
                   -1 :              -0.00005928699044
                   +0 :               0.00003538587071
                   +1 :               0.00000507833850
                3d
                   -2 :               0.00000823540826
                   -1 :              -0.00002623989016
                   +0 :               0.00004201594227
                   +1 :              -0.00001692447775
                   +2 :               0.00001844832538
             11 vec=   -15.350780     -3.115567      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00005191502494
                2p
                   -1 :              -0.00003919945489
                   +0 :              -0.00001239112952
                   +1 :               0.00002241397945
                3s
                   +0 :               0.00026609266283
                4s
                   +0 :              -0.00004563064695
                3p
                   -1 :               0.00019722038441
                   +0 :               0.00004199498177
                   +1 :              -0.00013209296135
                4p
                   -1 :              -0.00004237545620
                   +0 :               0.00000752461465
                   +1 :              -0.00001007865645
                3d
                   -2 :               0.00001228031329
                   -1 :              -0.00000345121053
                   +0 :              -0.00001533919075
                   +1 :              -0.00004469934272
                   +2 :              -0.00001669009502
             12 vec=    15.769871     -3.115567      1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00006765860708
                2p
                   -1 :               0.00000898696950
                   +0 :              -0.00001765392468
                   +1 :               0.00001380509915
                3s
                   +0 :              -0.00039402055778
                4s
                   +0 :               0.00010874563021
                3p
                   -1 :              -0.00006809673274
                   +0 :               0.00004013558522
                   +1 :              -0.00013638449587
                4p
                   -1 :               0.00000661556735
                   +0 :              -0.00000316402505
                   +1 :               0.00005434726596
                3d
                   -2 :              -0.00004864346259
                   -1 :              -0.00005835819019
                   +0 :              -0.00000623517803
                   +1 :               0.00001020318209
                   +2 :               0.00002744781258
             13 vec=   -15.350780      5.868191      1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00001829423780
                2p
                   -1 :              -0.00001878104749
                   +0 :               0.00001143268467
                   +1 :              -0.00001226115849
                3s
                   +0 :               0.00012784062680
                4s
                   +0 :              -0.00002872258755
                3p
                   -1 :               0.00010765261935
                   +0 :              -0.00004500654796
                   +1 :              -0.00001178032770
                4p
                   -1 :              -0.00001191497083
                   +0 :               0.00003463103314
                   +1 :               0.00000933442163
                3d
                   -2 :              -0.00000199635268
                   -1 :               0.00003771814080
                   +0 :              -0.00000146599145
                   +1 :               0.00000078638959
                   +2 :              -0.00000151740946
             14 vec=    15.769871      5.868191      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00001233656210
                2p
                   -1 :              -0.00000701645993
                   +0 :              -0.00000199871946
                   +1 :               0.00000205667216
                3s
                   +0 :               0.00014357453167
                4s
                   +0 :              -0.00003450643291
                3p
                   -1 :               0.00008626698017
                   +0 :               0.00004337191446
                   +1 :               0.00001893698114
                4p
                   -1 :              -0.00001821394155
                   +0 :              -0.00000239598710
                   +1 :              -0.00000103655209
                3d
                   -2 :               0.00001325926675
                   -1 :               0.00003247190744
                   +0 :               0.00000332988400
                   +1 :               0.00002596107624
                   +2 :              -0.00001645708045
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al( 11)  npairs=  15
              1 vec=     0.209546     -3.115567    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00075330898802
                2p
                   -1 :              -0.00012519940982
                   +0 :               0.00022942700694
                   +1 :               0.00013647825223
                3s
                   +0 :               0.00243170272663
                4s
                   +0 :              -0.00055383343488
                3p
                   -1 :               0.00014973838401
                   +0 :              -0.00101196892068
                   +1 :              -0.00036087878378
                4p
                   -1 :              -0.00007882931470
                   +0 :               0.00024226309389
                   +1 :               0.00008020975673
                3d
                   -2 :               0.00008567355606
                   -1 :               0.00007366435982
                   +0 :              -0.00042596912478
                   +1 :               0.00015906327257
                   +2 :               0.00003808990093
              2 vec=     0.209546      5.868191    -10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00003678769125
                2p
                   -1 :              -0.00001877433416
                   +0 :               0.00000158435822
                   +1 :              -0.00006689798649
                3s
                   +0 :               0.00105511582833
                4s
                   +0 :              -0.00021817431418
                3p
                   -1 :               0.00036134744440
                   +0 :              -0.00023632878089
                   +1 :              -0.00011260271618
                4p
                   -1 :              -0.00011197274628
                   +0 :               0.00011900544866
                   +1 :              -0.00010516312278
                3d
                   -2 :              -0.00005822712924
                   -1 :               0.00006026394363
                   +0 :              -0.00018165558927
                   +1 :               0.00002103329146
                   +2 :               0.00018587003656
              3 vec=    -7.570617      1.376312    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00037487756605
                2p
                   -1 :               0.00012561655363
                   +0 :              -0.00004604598722
                   +1 :               0.00010916456658
                3s
                   +0 :              -0.00281334393564
                4s
                   +0 :               0.00067255155624
                3p
                   -1 :              -0.00084777659066
                   +0 :               0.00128507439179
                   +1 :               0.00012080194389
                4p
                   -1 :               0.00029561122693
                   +0 :              -0.00019757207264
                   +1 :              -0.00001738103721
                3d
                   -2 :               0.00035156005988
                   -1 :               0.00027602360675
                   +0 :              -0.00002313590292
                   +1 :              -0.00009695785091
                   +2 :               0.00015907782267
              4 vec=     7.989708      1.376312    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00002710286503
                2p
                   -1 :              -0.00024983801413
                   +0 :               0.00004547600943
                   +1 :              -0.00009915667693
                3s
                   +0 :              -0.00061801254223
                4s
                   +0 :              -0.00001371007985
                3p
                   -1 :               0.00091944469719
                   +0 :               0.00020479536387
                   +1 :              -0.00018175899760
                4p
                   -1 :              -0.00027085685464
                   +0 :               0.00013592658366
                   +1 :              -0.00001329851469
                3d
                   -2 :              -0.00007323085053
                   -1 :              -0.00021497537825
                   +0 :               0.00018678147106
                   +1 :               0.00011021042980
                   +2 :              -0.00019093132758
              5 vec=     0.209546     -3.115567     13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00015500639207
                2p
                   -1 :               0.00006176185283
                   +0 :              -0.00000146819576
                   +1 :               0.00002441392119
                3s
                   +0 :               0.00022443723778
                4s
                   +0 :              -0.00003316199039
                3p
                   -1 :              -0.00029851350593
                   +0 :              -0.00008366319712
                   +1 :              -0.00013220457688
                4p
                   -1 :               0.00006243882239
                   +0 :               0.00006009169284
                   +1 :               0.00005742313411
                3d
                   -2 :              -0.00001028172383
                   -1 :               0.00002749774201
                   +0 :              -0.00002393278293
                   +1 :               0.00000793085340
                   +2 :               0.00001602917911
              6 vec=     0.209546      5.868191     13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00004267286928
                2p
                   -1 :               0.00001783069941
                   +0 :              -0.00002294729093
                   +1 :               0.00001381965571
                3s
                   +0 :              -0.00012853487025
                4s
                   +0 :              -0.00003606419727
                3p
                   -1 :              -0.00023531574107
                   +0 :               0.00011277931198
                   +1 :              -0.00014255771286
                4p
                   -1 :              -0.00000521411070
                   +0 :              -0.00006639158380
                   +1 :               0.00004096344980
                3d
                   -2 :              -0.00003344727199
                   -1 :               0.00000711197380
                   +0 :               0.00002297637478
                   +1 :              -0.00001035521864
                   +2 :               0.00005789573665
              7 vec=    -7.570617     -7.607446    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00002501702686
                2p
                   -1 :              -0.00004905878103
                   +0 :               0.00001164957091
                   +1 :               0.00003316727229
                3s
                   +0 :               0.00012718650494
                4s
                   +0 :              -0.00009269337660
                3p
                   -1 :               0.00026237934762
                   +0 :              -0.00011038739738
                   +1 :              -0.00029613306447
                4p
                   -1 :              -0.00005102625763
                   +0 :               0.00003502706721
                   +1 :               0.00009239117887
                3d
                   -2 :               0.00000604540979
                   -1 :              -0.00004543951015
                   +0 :               0.00007756458116
                   +1 :               0.00005109905903
                   +2 :               0.00006397750516
              8 vec=     7.989708     -7.607446    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00006375940027
                2p
                   -1 :              -0.00001653267625
                   +0 :               0.00000288247309
                   +1 :              -0.00001403346145
                3s
                   +0 :              -0.00012433279391
                4s
                   +0 :              -0.00006302386840
                3p
                   -1 :              -0.00005189136026
                   +0 :              -0.00004022746848
                   +1 :               0.00020326333332
                4p
                   -1 :               0.00007247103204
                   +0 :               0.00003368080135
                   +1 :              -0.00009627664092
                3d
                   -2 :              -0.00006171794703
                   -1 :               0.00001783323311
                   +0 :              -0.00002156076592
                   +1 :              -0.00003413843233
                   +2 :               0.00004694716526
              9 vec=    -7.570617      1.376312     13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00002603001225
                2p
                   -1 :               0.00000046319072
                   +0 :               0.00007057761649
                   +1 :              -0.00000791123718
                3s
                   +0 :               0.00004104480585
                4s
                   +0 :               0.00005343228502
                3p
                   -1 :              -0.00006749005595
                   +0 :              -0.00039629887178
                   +1 :              -0.00011983126891
                4p
                   -1 :              -0.00002475513118
                   +0 :               0.00012961763453
                   +1 :               0.00000083762559
                3d
                   -2 :               0.00007650652983
                   -1 :              -0.00002468803556
                   +0 :              -0.00010574395659
                   +1 :               0.00000018483751
                   +2 :               0.00005159073374
             10 vec=     7.989708      1.376312     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00008582110802
                2p
                   -1 :               0.00003836086306
                   +0 :               0.00004129440002
                   +1 :               0.00001773373343
                3s
                   +0 :              -0.00001749025607
                4s
                   +0 :               0.00006640406858
                3p
                   -1 :              -0.00033830007225
                   +0 :              -0.00015350248590
                   +1 :               0.00021048613396
                4p
                   -1 :               0.00002366875797
                   +0 :               0.00003007164804
                   +1 :              -0.00003675059125
                3d
                   -2 :              -0.00005135031683
                   -1 :               0.00000492082074
                   +0 :              -0.00009474345451
                   +1 :              -0.00002018603117
                   +2 :               0.00002194260478
             11 vec=     0.209546    -12.099325    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00047197377570
                2p
                   -1 :               0.00015941983492
                   +0 :               0.00018846147339
                   +1 :              -0.00002328002795
                3s
                   +0 :               0.00164027629475
                4s
                   +0 :              -0.00051518219239
                3p
                   -1 :              -0.00064438380754
                   +0 :              -0.00095212947439
                   +1 :               0.00011698132898
                4p
                   -1 :               0.00014127763156
                   +0 :               0.00025280705341
                   +1 :              -0.00000999895866
                3d
                   -2 :               0.00000520274238
                   -1 :               0.00016512029928
                   +0 :               0.00010703995800
                   +1 :               0.00002243955616
                   +2 :              -0.00004292450415
             12 vec=    -7.570617     10.360070    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00009422483430
                2p
                   -1 :              -0.00004325021931
                   +0 :               0.00003173465731
                   +1 :               0.00003933167028
                3s
                   +0 :               0.00030577042042
                4s
                   +0 :              -0.00005738405177
                3p
                   -1 :               0.00024302687484
                   +0 :              -0.00024673441044
                   +1 :              -0.00034044709997
                4p
                   -1 :              -0.00005060689769
                   +0 :               0.00001711208368
                   +1 :               0.00004708288718
                3d
                   -2 :              -0.00009825718190
                   -1 :              -0.00010486915972
                   +0 :              -0.00002583087654
                   +1 :               0.00003824689179
                   +2 :              -0.00002848102962
             13 vec=     7.989708     10.360070    -10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00005878599506
                2p
                   -1 :              -0.00000950971505
                   +0 :               0.00002335544431
                   +1 :              -0.00002910906270
                3s
                   +0 :               0.00017533076159
                4s
                   +0 :              -0.00002266197767
                3p
                   -1 :              -0.00000341509113
                   +0 :              -0.00009479745942
                   +1 :               0.00016677014910
                4p
                   -1 :               0.00000357336781
                   +0 :              -0.00000042500559
                   +1 :              -0.00001043883768
                3d
                   -2 :               0.00002137581582
                   -1 :              -0.00000860780052
                   +0 :               0.00002962091949
                   +1 :              -0.00001048715154
                   +2 :              -0.00002537873847
             14 vec=    -7.570617     -7.607446     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00007879906948
                2p
                   -1 :              -0.00000532105078
                   +0 :               0.00000430318797
                   +1 :              -0.00004167154135
                3s
                   +0 :              -0.00035645403737
                4s
                   +0 :               0.00005745472728
                3p
                   -1 :               0.00005110367598
                   +0 :              -0.00003298499316
                   +1 :               0.00028335394182
                4p
                   -1 :               0.00000572753043
                   +0 :              -0.00000404713702
                   +1 :              -0.00004243252142
                3d
                   -2 :              -0.00000590950176
                   -1 :               0.00000339661266
                   +0 :               0.00004084938872
                   +1 :               0.00002854172562
                   +2 :              -0.00006468714200
             15 vec=     7.989708     -7.607446     13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00009114154090
                2p
                   -1 :               0.00004348048664
                   +0 :              -0.00001029902777
                   +1 :              -0.00005368571722
                3s
                   +0 :               0.00013669677592
                4s
                   +0 :              -0.00005017189003
                3p
                   -1 :              -0.00014337162294
                   +0 :              -0.00000854253988
                   +1 :               0.00018493409601
                4p
                   -1 :               0.00004820048740
                   +0 :               0.00001954827782
                   +1 :              -0.00002964965775
                3d
                   -2 :              -0.00003576223627
                   -1 :               0.00000446142259
                   +0 :              -0.00000816878650
                   +1 :               0.00003371802169
                   +2 :               0.00001719649620
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site Al( 12)  npairs=  13
              1 vec=     0.209546     -3.115567      6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00145284266583
                2p
                   -1 :              -0.00023533186328
                   +0 :               0.00124919123008
                   +1 :              -0.00012917136055
                3s
                   +0 :              -0.00511838469386
                4s
                   +0 :               0.00272961583077
                3p
                   -1 :               0.00208926750732
                   +0 :              -0.00129348965045
                   +1 :               0.00179501315299
                4p
                   -1 :              -0.00100040826051
                   +0 :               0.00143002952947
                   +1 :              -0.00052468757468
                3d
                   -2 :               0.00068161594410
                   -1 :              -0.00147849071583
                   +0 :               0.00125364173257
                   +1 :               0.00004497802452
                   +2 :              -0.00030678094059
              2 vec=     0.209546      5.868191      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00194328998189
                2p
                   -1 :              -0.00004829270241
                   +0 :              -0.00036391807413
                   +1 :              -0.00001537546533
                3s
                   +0 :               0.01764032422960
                4s
                   +0 :              -0.00218628980689
                3p
                   -1 :               0.00719847997036
                   +0 :               0.00892277013004
                   +1 :               0.00005336258473
                4p
                   -1 :               0.00035577432070
                   +0 :              -0.00051853847693
                   +1 :               0.00002452615004
                3d
                   -2 :              -0.00048201135478
                   -1 :               0.00312302969009
                   +0 :               0.00054616073712
                   +1 :              -0.00008312058464
                   +2 :              -0.00228929530246
              3 vec=    -7.570617      1.376312      6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00130861819866
                2p
                   -1 :              -0.00031082243806
                   +0 :              -0.00043663786402
                   +1 :               0.00072062301372
                3s
                   +0 :               0.00642442738756
                4s
                   +0 :              -0.00277867238654
                3p
                   -1 :               0.00179296299643
                   +0 :               0.00367206782048
                   +1 :              -0.00441437982630
                4p
                   -1 :              -0.00053141055062
                   +0 :              -0.00110009439279
                   +1 :               0.00150487353202
                3d
                   -2 :              -0.00024400894982
                   -1 :               0.00032120662542
                   +0 :              -0.00019988281787
                   +1 :              -0.00079389329409
                   +2 :               0.00065803228746
              4 vec=     7.989708      1.376312      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00034993526475
                2p
                   -1 :               0.00003353867794
                   +0 :               0.00002143161236
                   +1 :              -0.00033117889937
                3s
                   +0 :               0.00136164184254
                4s
                   +0 :              -0.00059789740243
                3p
                   -1 :              -0.00012339811523
                   +0 :               0.00077710363494
                   +1 :               0.00196498296270
                4p
                   -1 :              -0.00005001708126
                   +0 :              -0.00018212659062
                   +1 :              -0.00060932086567
                3d
                   -2 :               0.00001904400358
                   -1 :              -0.00045970410614
                   +0 :              -0.00039786018936
                   +1 :               0.00056010489308
                   +2 :               0.00035314904194
              5 vec=    -7.570617     -7.607446      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00000264029970
                2p
                   -1 :               0.00017098611401
                   +0 :               0.00010649725773
                   +1 :               0.00011301592429
                3s
                   +0 :              -0.00097859073964
                4s
                   +0 :               0.00034405147844
                3p
                   -1 :              -0.00061237390415
                   +0 :              -0.00109100966650
                   +1 :               0.00005070808719
                4p
                   -1 :               0.00022524447649
                   +0 :               0.00021191317048
                   +1 :               0.00002917193743
                3d
                   -2 :              -0.00004814641896
                   -1 :               0.00011435362385
                   +0 :              -0.00011993353673
                   +1 :               0.00018419989648
                   +2 :               0.00000622819289
              6 vec=     7.989708     -7.607446      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00025043689866
                2p
                   -1 :               0.00001066091951
                   +0 :              -0.00009070568641
                   +1 :              -0.00006211010118
                3s
                   +0 :              -0.00188406255971
                4s
                   +0 :               0.00021682561598
                3p
                   -1 :               0.00025725630771
                   +0 :              -0.00031832103711
                   +1 :              -0.00023346798449
                4p
                   -1 :              -0.00003186916007
                   +0 :              -0.00000360632290
                   +1 :              -0.00013361631430
                3d
                   -2 :               0.00024195698310
                   -1 :               0.00003196310052
                   +0 :               0.00009990391145
                   +1 :              -0.00009071639662
                   +2 :              -0.00003723934912
              7 vec=     0.209546    -12.099325      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00008199914921
                2p
                   -1 :              -0.00011576091151
                   +0 :              -0.00003341108347
                   +1 :               0.00016864078764
                3s
                   +0 :              -0.00105996217242
                4s
                   +0 :               0.00057414036537
                3p
                   -1 :               0.00125403848608
                   +0 :               0.00002430229994
                   +1 :              -0.00057034120478
                4p
                   -1 :              -0.00056688671239
                   +0 :               0.00008288659489
                   +1 :               0.00007316707706
                3d
                   -2 :              -0.00010906040717
                   -1 :               0.00000305506412
                   +0 :               0.00009905660000
                   +1 :               0.00004134670490
                   +2 :               0.00012633201905
              8 vec=    -7.570617     10.360070      6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00012595466418
                2p
                   -1 :              -0.00006512047247
                   +0 :              -0.00010420313845
                   +1 :              -0.00006474625147
                3s
                   +0 :               0.00048622893843
                4s
                   +0 :              -0.00006582059311
                3p
                   -1 :               0.00024400804934
                   +0 :               0.00040402343310
                   +1 :               0.00034638628993
                4p
                   -1 :              -0.00002429499165
                   +0 :              -0.00004393992743
                   +1 :              -0.00014905968541
                3d
                   -2 :               0.00005756751725
                   -1 :               0.00009524800830
                   +0 :               0.00006007914617
                   +1 :               0.00003465168370
                   +2 :               0.00002120397326
              9 vec=     7.989708     10.360070      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00005590000982
                2p
                   -1 :               0.00007978350978
                   +0 :               0.00002571606988
                   +1 :              -0.00001669308258
                3s
                   +0 :               0.00005559259293
                4s
                   +0 :              -0.00005846254894
                3p
                   -1 :              -0.00040849268032
                   +0 :              -0.00004356524295
                   +1 :               0.00018372375005
                4p
                   -1 :               0.00006716599013
                   +0 :              -0.00001457015367
                   +1 :              -0.00005030285463
                3d
                   -2 :               0.00000715946969
                   -1 :              -0.00007238055030
                   +0 :               0.00002338995547
                   +1 :               0.00003869834184
                   +2 :               0.00004156587391
             10 vec=     0.209546     14.851949      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00015115247753
                2p
                   -1 :              -0.00005180104131
                   +0 :              -0.00006044362644
                   +1 :              -0.00002258276900
                3s
                   +0 :               0.00058816216176
                4s
                   +0 :              -0.00009256897445
                3p
                   -1 :               0.00020095222434
                   +0 :               0.00029716879847
                   +1 :               0.00013064662669
                4p
                   -1 :               0.00000273509622
                   +0 :              -0.00005757293094
                   +1 :              -0.00005251916558
                3d
                   -2 :               0.00003846739542
                   -1 :               0.00006639607977
                   +0 :               0.00003128243282
                   +1 :              -0.00000577964972
                   +2 :              -0.00000691105935
             11 vec=   -15.350780     -3.115567      6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00000723021268
                2p
                   -1 :              -0.00002727601943
                   +0 :               0.00001699120203
                   +1 :              -0.00001483861594
                3s
                   +0 :              -0.00000777660246
                4s
                   +0 :               0.00003071332665
                3p
                   -1 :               0.00013194701347
                   +0 :              -0.00008658786518
                   +1 :               0.00008911859850
                4p
                   -1 :              -0.00003567218305
                   +0 :               0.00001953724768
                   +1 :              -0.00002442023713
                3d
                   -2 :              -0.00002632964291
                   -1 :               0.00002485097084
                   +0 :               0.00000123302785
                   +1 :               0.00000743957757
                   +2 :               0.00005520100035
             12 vec=    15.769871     -3.115567      6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00006689595669
                2p
                   -1 :              -0.00001580539833
                   +0 :               0.00003833560871
                   +1 :               0.00000512864939
                3s
                   +0 :              -0.00031192002906
                4s
                   +0 :               0.00007614842723
                3p
                   -1 :               0.00007380477191
                   +0 :              -0.00021097858679
                   +1 :              -0.00003664804094
                4p
                   -1 :              -0.00001885124235
                   +0 :               0.00004729907265
                   +1 :              -0.00000627283736
                3d
                   -2 :               0.00001671971191
                   -1 :               0.00002684209104
                   +0 :              -0.00001512873239
                   +1 :              -0.00004269746067
                   +2 :               0.00001737956574
             13 vec=   -15.350780      5.868191      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00003309871254
                2p
                   -1 :              -0.00001004462680
                   +0 :               0.00000782971182
                   +1 :               0.00000823404413
                3s
                   +0 :               0.00017571561940
                4s
                   +0 :              -0.00007263639035
                3p
                   -1 :               0.00015366607869
                   +0 :              -0.00003901980058
                   +1 :              -0.00006434157945
                4p
                   -1 :              -0.00006321238589
                   +0 :              -0.00000095050577
                   +1 :               0.00001906024990
                3d
                   -2 :              -0.00001869440944
                   -1 :              -0.00000803365475
                   +0 :               0.00000186421420
                   +1 :               0.00002721351903
                   +2 :               0.00000822600513
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 13)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00298766567436
                2s
                   +0 :              -0.02701364897030
                3s
                   +0 :               0.00821003469551
                2p
                   -1 :               0.89092584608359
                   +0 :               0.01613775037709
                   +1 :              -0.00184229494190
                3p
                   -1 :              -0.04553743861788
                   +0 :              -0.00576681765883
                   +1 :               0.00085812900348
                3d
                   -2 :               0.00021428313144
                   -1 :               0.00338526427297
                   +0 :               0.00100861774314
                   +1 :              -0.00247494723237
                   +2 :               0.00335399731317
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00021820799701
                2s
                   +0 :              -0.00067266788274
                3s
                   +0 :               0.00102395098501
                2p
                   -1 :              -0.00198253708772
                   +0 :               0.00040895027412
                   +1 :               0.00123094777157
                3p
                   -1 :               0.00006281305205
                   +0 :              -0.00048741215369
                   +1 :              -0.00080178137540
                3d
                   -2 :               0.00021262068504
                   -1 :               0.00005459192969
                   +0 :              -0.00001542210350
                   +1 :               0.00004686556717
                   +2 :              -0.00001912795625
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00008530827607
                2s
                   +0 :               0.00024298093954
                3s
                   +0 :              -0.00011644389196
                2p
                   -1 :              -0.00028470281633
                   +0 :              -0.00135360152255
                   +1 :              -0.00382791041736
                3p
                   -1 :              -0.00066921863727
                   +0 :               0.00085395314902
                   +1 :               0.00127016372992
                3d
                   -2 :               0.00007253917146
                   -1 :               0.00000129382819
                   +0 :               0.00000003690757
                   +1 :              -0.00003284164468
                   +2 :              -0.00000132582849
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00014361186039
                2s
                   +0 :               0.00100875832224
                3s
                   +0 :              -0.00090776799793
                2p
                   -1 :              -0.00005754789637
                   +0 :               0.00004216284034
                   +1 :              -0.00110308651606
                3p
                   -1 :               0.00074880963337
                   +0 :               0.00003545298214
                   +1 :               0.00025404079284
                3d
                   -2 :               0.00001455894474
                   -1 :              -0.00007574756621
                   +0 :              -0.00018274622751
                   +1 :               0.00012489633815
                   +2 :               0.00016953983616
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00021948319173
                2s
                   +0 :               0.00140799453576
                3s
                   +0 :              -0.00029920217258
                2p
                   -1 :               0.00114642864901
                   +0 :               0.00117802974788
                   +1 :              -0.00097753843124
                3p
                   -1 :               0.00012444859043
                   +0 :              -0.00130718117557
                   +1 :               0.00123819254259
                3d
                   -2 :               0.00021940802754
                   -1 :              -0.00002522190773
                   +0 :              -0.00013279947012
                   +1 :              -0.00001998335951
                   +2 :               0.00009219629004
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00043103717672
                2s
                   +0 :              -0.00244779221541
                3s
                   +0 :               0.00053375374358
                2p
                   -1 :              -0.00054300025884
                   +0 :              -0.00029589071624
                   +1 :              -0.00235824780316
                3p
                   -1 :              -0.00086220310003
                   +0 :               0.00013180857806
                   +1 :              -0.00010225775510
                3d
                   -2 :              -0.00030930338607
                   -1 :               0.00001765795788
                   +0 :              -0.00002059614523
                   +1 :              -0.00017440055519
                   +2 :              -0.00023819219966
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00018644672934
                2s
                   +0 :               0.00124710466013
                3s
                   +0 :              -0.00051672126386
                2p
                   -1 :              -0.00212014057361
                   +0 :               0.00015112511934
                   +1 :               0.00250061160130
                3p
                   -1 :               0.00052314409249
                   +0 :              -0.00011125992561
                   +1 :              -0.00105150273911
                3d
                   -2 :               0.00002539618680
                   -1 :              -0.00003766200781
                   +0 :               0.00004291325787
                   +1 :              -0.00001889326261
                   +2 :               0.00007323814159
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003998371801
                2s
                   +0 :               0.00032975512033
                3s
                   +0 :              -0.00010860980286
                2p
                   -1 :              -0.00007488347405
                   +0 :               0.00009281971782
                   +1 :              -0.00037718264717
                3p
                   -1 :               0.00008793676331
                   +0 :              -0.00011530509686
                   +1 :               0.00020453492641
                3d
                   -2 :              -0.00001161568574
                   -1 :              -0.00000154812106
                   +0 :               0.00001011162206
                   +1 :              -0.00000643767508
                   +2 :              -0.00000242385290
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002432183250
                2s
                   +0 :              -0.00054249490774
                3s
                   +0 :               0.00001944907339
                2p
                   -1 :               0.00061147192499
                   +0 :               0.00026265173365
                   +1 :               0.00063685540574
                3p
                   -1 :              -0.00004307288885
                   +0 :              -0.00017440319355
                   +1 :              -0.00009585471508
                3d
                   -2 :              -0.00001486704802
                   -1 :               0.00000437353025
                   +0 :               0.00000208593816
                   +1 :               0.00001744772381
                   +2 :               0.00001437028401
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004334547430
                2s
                   +0 :               0.00056801835000
                3s
                   +0 :              -0.00008175162126
                2p
                   -1 :               0.00056121679215
                   +0 :              -0.00017988163571
                   +1 :              -0.00053526129124
                3p
                   -1 :              -0.00001580034502
                   +0 :               0.00002963098521
                   +1 :               0.00005394071577
                3d
                   -2 :              -0.00003837073860
                   -1 :               0.00000968040715
                   +0 :              -0.00002783654640
                   +1 :              -0.00000181953126
                   +2 :              -0.00001418837299
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001176446779
                2s
                   +0 :              -0.00044893153096
                3s
                   +0 :              -0.00015237444645
                2p
                   -1 :               0.00058381323107
                   +0 :              -0.00011766487278
                   +1 :              -0.00047045298174
                3p
                   -1 :              -0.00004072919375
                   +0 :               0.00019192458699
                   +1 :               0.00011134029257
                3d
                   -2 :              -0.00000119140331
                   -1 :              -0.00004709812430
                   +0 :              -0.00002731550124
                   +1 :              -0.00001060179522
                   +2 :               0.00003239028609
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00005167512860
                2s
                   +0 :               0.00071870772515
                3s
                   +0 :              -0.00005851943143
                2p
                   -1 :               0.00072619777547
                   +0 :               0.00005573482465
                   +1 :               0.00030653949551
                3p
                   -1 :              -0.00014864102580
                   +0 :              -0.00001433937757
                   +1 :              -0.00002164807151
                3d
                   -2 :               0.00001904852943
                   -1 :              -0.00000081807975
                   +0 :              -0.00000838014293
                   +1 :               0.00000151708012
                   +2 :              -0.00000824013124
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002530681340
                2s
                   +0 :              -0.00022418178895
                3s
                   +0 :               0.00005722711299
                2p
                   -1 :               0.00002033858548
                   +0 :              -0.00007314102903
                   +1 :               0.00004683597262
                3p
                   -1 :              -0.00003219669686
                   +0 :               0.00004160276449
                   +1 :              -0.00011291708448
                3d
                   -2 :               0.00000383043115
                   -1 :               0.00000144214923
                   +0 :               0.00000810674944
                   +1 :               0.00000099185295
                   +2 :              -0.00001463871197
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000477692877
                2s
                   +0 :              -0.00003668342941
                3s
                   +0 :               0.00001608939306
                2p
                   -1 :               0.00000185446669
                   +0 :              -0.00001754532458
                   +1 :               0.00008782643360
                3p
                   -1 :              -0.00000540360886
                   +0 :               0.00001790575179
                   +1 :              -0.00002048860321
                3d
                   -2 :              -0.00000342524370
                   -1 :              -0.00000029594847
                   +0 :               0.00000307507575
                   +1 :              -0.00000084660763
                   +2 :              -0.00000318762995
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001270789143
                2s
                   +0 :              -0.00010812473033
                3s
                   +0 :               0.00003281025973
                2p
                   -1 :               0.00003947329472
                   +0 :              -0.00002305743727
                   +1 :              -0.00006768997202
                3p
                   -1 :              -0.00001233129703
                   +0 :              -0.00001406310141
                   +1 :               0.00004025414653
                3d
                   -2 :              -0.00000515246389
                   -1 :              -0.00000144748698
                   +0 :              -0.00000450300389
                   +1 :              -0.00000092138214
                   +2 :              -0.00000315878805
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000045426361
                2s
                   +0 :              -0.00006351915246
                3s
                   +0 :              -0.00002239656129
                2p
                   -1 :               0.00007469667478
                   +0 :              -0.00000613834845
                   +1 :               0.00007147083743
                3p
                   -1 :               0.00004746655206
                   +0 :               0.00000910948612
                   +1 :              -0.00004889443687
                3d
                   -2 :              -0.00000098823674
                   -1 :              -0.00000188766718
                   +0 :               0.00000098562322
                   +1 :               0.00000085823866
                   +2 :               0.00000327450053
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002272389732
                2s
                   +0 :               0.00021589108631
                3s
                   +0 :              -0.00005617584791
                2p
                   -1 :               0.00019080326070
                   +0 :              -0.00003408242654
                   +1 :              -0.00007029684200
                3p
                   -1 :              -0.00004970421238
                   +0 :               0.00002226725843
                   +1 :               0.00002874902861
                3d
                   -2 :              -0.00000037220155
                   -1 :               0.00000608386571
                   +0 :              -0.00000160528430
                   +1 :               0.00000349502717
                   +2 :               0.00000271546439
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001428181965
                2s
                   +0 :              -0.00012089244282
                3s
                   +0 :               0.00002111920994
                2p
                   -1 :               0.00000284002609
                   +0 :              -0.00002145018833
                   +1 :              -0.00000134060771
                3p
                   -1 :               0.00002342547435
                   +0 :               0.00001895063620
                   +1 :              -0.00003859348691
                3d
                   -2 :               0.00000156803686
                   -1 :              -0.00000417034442
                   +0 :               0.00000466280743
                   +1 :               0.00000620822801
                   +2 :               0.00000125734421
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000087276658
                2s
                   +0 :               0.00000410250604
                3s
                   +0 :               0.00000848947970
                2p
                   -1 :               0.00001601692382
                   +0 :               0.00003097158452
                   +1 :               0.00001973135152
                3p
                   -1 :              -0.00001732058563
                   +0 :              -0.00003496459700
                   +1 :               0.00001197731338
                3d
                   -2 :              -0.00000116344033
                   -1 :              -0.00000571513895
                   +0 :              -0.00000096194226
                   +1 :              -0.00000224581833
                   +2 :               0.00000126889260
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 14)  npairs=  12
              1 vec=    -4.767684     -0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00031815661792
                2s
                   +0 :               0.00020518186629
                3s
                   +0 :               0.00093142681115
                2p
                   -1 :              -0.01109924754022
                   +0 :               0.00107430827576
                   +1 :              -0.00553619908705
                3p
                   -1 :               0.00111805196380
                   +0 :              -0.00289218280291
                   +1 :               0.00401524447480
                3d
                   -2 :               0.00108280898260
                   -1 :              -0.00023240239755
                   +0 :               0.00051538476113
                   +1 :              -0.00018430823342
                   +2 :              -0.00014539883096
              2 vec=     3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00047654388172
                2s
                   +0 :              -0.04153489116979
                3s
                   +0 :              -0.00393459672484
                2p
                   -1 :               0.02306056376912
                   +0 :               0.00535548347600
                   +1 :              -0.01820380428349
                3p
                   -1 :               0.00509928258402
                   +0 :              -0.00541411585579
                   +1 :              -0.00789125159586
                3d
                   -2 :               0.00336575308442
                   -1 :               0.00073886123972
                   +0 :               0.00181513443725
                   +1 :              -0.00035721162529
                   +2 :               0.00102296107571
              3 vec=     3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00182043278941
                2s
                   +0 :               0.04435362335865
                3s
                   +0 :              -0.00216460594898
                2p
                   -1 :               0.02670092118953
                   +0 :              -0.00121426945810
                   +1 :               0.02390928409495
                3p
                   -1 :               0.00082420025398
                   +0 :              -0.00053455082900
                   +1 :              -0.00381665034835
                3d
                   -2 :               0.00196687523501
                   -1 :              -0.00076904509914
                   +0 :              -0.00110936169674
                   +1 :               0.00053678704213
                   +2 :              -0.00093882407638
              4 vec=    -4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00085745446308
                2s
                   +0 :              -0.00745986261213
                3s
                   +0 :               0.00177296728111
                2p
                   -1 :               0.00391171119498
                   +0 :               0.00112773476923
                   +1 :               0.00432099648795
                3p
                   -1 :               0.00039892225638
                   +0 :              -0.00080850495655
                   +1 :              -0.00108491713925
                3d
                   -2 :              -0.00016832436330
                   -1 :               0.00006197424152
                   +0 :               0.00028854950004
                   +1 :               0.00005836668573
                   +2 :               0.00026695039516
              5 vec=    -4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00016980292032
                2s
                   +0 :               0.00286476216202
                3s
                   +0 :               0.00018903161395
                2p
                   -1 :               0.00467968523433
                   +0 :              -0.00094419164545
                   +1 :              -0.00236038184808
                3p
                   -1 :              -0.00009752974486
                   +0 :               0.00043560540089
                   +1 :               0.00034668256912
                3d
                   -2 :              -0.00018115027085
                   -1 :              -0.00000718082486
                   +0 :              -0.00006319520449
                   +1 :               0.00005168450213
                   +2 :              -0.00012357920787
              6 vec=    10.792642      0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00017059714446
                2s
                   +0 :               0.00080247152438
                3s
                   +0 :              -0.00065700812203
                2p
                   -1 :              -0.00098448285057
                   +0 :              -0.00023654341429
                   +1 :               0.00015047265484
                3p
                   -1 :               0.00037824068098
                   +0 :               0.00039285174503
                   +1 :              -0.00047256702610
                3d
                   -2 :              -0.00001977419576
                   -1 :               0.00006076304907
                   +0 :               0.00005578960918
                   +1 :               0.00001959628964
                   +2 :              -0.00010455295768
              7 vec=   -12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00002000405872
                2s
                   +0 :               0.00003023224396
                3s
                   +0 :               0.00004838347201
                2p
                   -1 :               0.00004634226694
                   +0 :              -0.00009039175753
                   +1 :               0.00029315142830
                3p
                   -1 :              -0.00005243042019
                   +0 :               0.00012529973329
                   +1 :              -0.00023820476370
                3d
                   -2 :               0.00001038503614
                   -1 :              -0.00003121169092
                   +0 :              -0.00002185099691
                   +1 :              -0.00002387875160
                   +2 :               0.00001626401742
              8 vec=   -12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00002406390399
                2s
                   +0 :               0.00012266703157
                3s
                   +0 :               0.00009131306251
                2p
                   -1 :               0.00032180029938
                   +0 :              -0.00002699889110
                   +1 :              -0.00008529409825
                3p
                   -1 :              -0.00022190339862
                   +0 :              -0.00001831897507
                   +1 :              -0.00014860571221
                3d
                   -2 :              -0.00000561802964
                   -1 :               0.00001026415613
                   +0 :               0.00000433284554
                   +1 :               0.00002104209339
                   +2 :               0.00002939708279
              9 vec=     3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00006579624923
                2s
                   +0 :              -0.00096200690631
                3s
                   +0 :               0.00012586012258
                2p
                   -1 :               0.00054722122778
                   +0 :               0.00005948714215
                   +1 :               0.00051918965164
                3p
                   -1 :              -0.00007565558908
                   +0 :              -0.00009063296696
                   +1 :              -0.00027217447683
                3d
                   -2 :               0.00000638200444
                   -1 :               0.00002729368446
                   +0 :               0.00002618201393
                   +1 :               0.00002170670438
                   +2 :               0.00001293100835
             10 vec=     3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00003726820350
                2s
                   +0 :               0.00065692149533
                3s
                   +0 :              -0.00000230677010
                2p
                   -1 :               0.00052557215789
                   +0 :              -0.00013074531846
                   +1 :               0.00044721743185
                3p
                   -1 :              -0.00001289693035
                   +0 :               0.00006577018518
                   +1 :              -0.00034403658153
                3d
                   -2 :              -0.00003543035497
                   -1 :              -0.00000903220312
                   +0 :              -0.00001354422796
                   +1 :               0.00001356591528
                   +2 :              -0.00000173248733
             11 vec=    10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00004754138367
                2s
                   +0 :               0.00009706390476
                3s
                   +0 :              -0.00013001490082
                2p
                   -1 :              -0.00019230609167
                   +0 :              -0.00019728627173
                   +1 :               0.00010418875973
                3p
                   -1 :               0.00007759315215
                   +0 :               0.00022230010364
                   +1 :              -0.00019339702455
                3d
                   -2 :              -0.00001342316090
                   -1 :              -0.00000366932926
                   +0 :               0.00001198375317
                   +1 :               0.00000422417048
                   +2 :               0.00000014216364
             12 vec=    10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00000853474146
                2s
                   +0 :               0.00027203410664
                3s
                   +0 :              -0.00002146550447
                2p
                   -1 :              -0.00012913588903
                   +0 :               0.00009766636732
                   +1 :               0.00037694316597
                3p
                   -1 :               0.00002618965394
                   +0 :              -0.00017776233113
                   +1 :              -0.00004957409061
                3d
                   -2 :              -0.00000600907386
                   -1 :              -0.00000408535156
                   +0 :              -0.00000351920399
                   +1 :               0.00000315772213
                   +2 :               0.00000117730417
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 15)  npairs=  12
              1 vec=    -2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00471411320087
                2s
                   +0 :               0.09358182360793
                3s
                   +0 :              -0.01050672877125
                2p
                   -1 :               0.04190804640453
                   +0 :               0.00014456323058
                   +1 :              -0.02340321021056
                3p
                   -1 :              -0.00575491961381
                   +0 :              -0.00161586212850
                   +1 :              -0.00011158464284
                3d
                   -2 :              -0.00286637589123
                   -1 :              -0.00078496588682
                   +0 :              -0.00149061040403
                   +1 :              -0.00014777056560
                   +2 :               0.00047831963451
              2 vec=    -2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00080141548429
                2s
                   +0 :              -0.04457912034752
                3s
                   +0 :              -0.00287626337101
                2p
                   -1 :               0.03378359012578
                   +0 :               0.00463415611431
                   +1 :               0.01953350744994
                3p
                   -1 :               0.00145813719500
                   +0 :              -0.00388782850417
                   +1 :               0.00357430189512
                3d
                   -2 :              -0.00279318546886
                   -1 :              -0.00007533507164
                   +0 :               0.00159372756604
                   +1 :               0.00126909021939
                   +2 :               0.00129332767988
              3 vec=     5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00171939661083
                2s
                   +0 :              -0.01081927827287
                3s
                   +0 :               0.00542940872578
                2p
                   -1 :              -0.00702272784658
                   +0 :               0.00313847525785
                   +1 :              -0.00777896231306
                3p
                   -1 :               0.00048772750526
                   +0 :              -0.00325083695559
                   +1 :               0.00622384909336
                3d
                   -2 :              -0.00086585570936
                   -1 :              -0.00026458253213
                   +0 :              -0.00010893032868
                   +1 :               0.00003712141361
                   +2 :               0.00041168498575
              4 vec=   -10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00007380377812
                2s
                   +0 :               0.00061568454159
                3s
                   +0 :              -0.00000167722016
                2p
                   -1 :              -0.00056570954312
                   +0 :              -0.00056198755049
                   +1 :              -0.00011789135654
                3p
                   -1 :               0.00026367874031
                   +0 :               0.00034939836872
                   +1 :              -0.00059174708328
                3d
                   -2 :              -0.00004095088023
                   -1 :              -0.00001543235117
                   +0 :              -0.00012038597899
                   +1 :              -0.00001026111823
                   +2 :               0.00013289851651
              5 vec=     5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00055627623043
                2s
                   +0 :               0.00524199504732
                3s
                   +0 :              -0.00099038200090
                2p
                   -1 :               0.00420792107320
                   +0 :              -0.00102617694349
                   +1 :               0.00150743253660
                3p
                   -1 :              -0.00065653539526
                   +0 :               0.00057207800532
                   +1 :               0.00057862269588
                3d
                   -2 :               0.00022511936343
                   -1 :              -0.00002042030721
                   +0 :              -0.00010473737299
                   +1 :              -0.00018215656538
                   +2 :              -0.00001533278523
              6 vec=     5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00098335904369
                2s
                   +0 :              -0.00783771515261
                3s
                   +0 :               0.00250237930049
                2p
                   -1 :               0.00722945195946
                   +0 :              -0.00122734082215
                   +1 :              -0.00436987198519
                3p
                   -1 :              -0.00253307513081
                   +0 :               0.00146880530960
                   +1 :               0.00175320096167
                3d
                   -2 :               0.00001741387945
                   -1 :              -0.00002313040792
                   +0 :               0.00004111779326
                   +1 :               0.00007874467850
                   +2 :               0.00002635703119
              7 vec=   -10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00002511798185
                2s
                   +0 :              -0.00007127498505
                3s
                   +0 :               0.00001016470367
                2p
                   -1 :              -0.00034971114134
                   +0 :              -0.00007941210405
                   +1 :               0.00000891215176
                3p
                   -1 :               0.00021891855307
                   +0 :              -0.00006868416986
                   +1 :               0.00001902769187
                3d
                   -2 :               0.00004121489010
                   -1 :              -0.00000439402280
                   +0 :              -0.00003045468462
                   +1 :               0.00002519904921
                   +2 :              -0.00002263425054
              8 vec=    -2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00004240681798
                2s
                   +0 :               0.00069325563738
                3s
                   +0 :               0.00002300762176
                2p
                   -1 :              -0.00006563159161
                   +0 :               0.00000860328595
                   +1 :               0.00018972362811
                3p
                   -1 :               0.00028776181805
                   +0 :              -0.00001244872544
                   +1 :              -0.00003748091716
                3d
                   -2 :               0.00001195412126
                   -1 :              -0.00000093238165
                   +0 :              -0.00002232897979
                   +1 :              -0.00001291859312
                   +2 :              -0.00000262575883
              9 vec=   -10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00005714376562
                2s
                   +0 :               0.00028146281250
                3s
                   +0 :              -0.00016895077232
                2p
                   -1 :              -0.00048151315881
                   +0 :              -0.00013335047936
                   +1 :               0.00003795975092
                3p
                   -1 :               0.00012061630375
                   +0 :               0.00009149544754
                   +1 :               0.00013464139780
                3d
                   -2 :               0.00002675293781
                   -1 :              -0.00000718149356
                   +0 :               0.00002807680253
                   +1 :              -0.00000056984367
                   +2 :              -0.00004336810972
             10 vec=    13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00004602415783
                2s
                   +0 :               0.00043596848267
                3s
                   +0 :              -0.00012049089798
                2p
                   -1 :              -0.00004500959858
                   +0 :               0.00002739487011
                   +1 :               0.00025578538367
                3p
                   -1 :              -0.00002473679968
                   +0 :              -0.00003951525019
                   +1 :               0.00000726022032
                3d
                   -2 :              -0.00000912868460
                   -1 :               0.00000703097416
                   +0 :              -0.00001653382740
                   +1 :              -0.00000782075288
                   +2 :               0.00004088202669
             11 vec=    -2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00006053484640
                2s
                   +0 :              -0.00067201859818
                3s
                   +0 :               0.00014609029709
                2p
                   -1 :               0.00108017053240
                   +0 :               0.00027520661862
                   +1 :              -0.00026566436838
                3p
                   -1 :              -0.00062956301702
                   +0 :              -0.00008548620320
                   +1 :               0.00011337316473
                3d
                   -2 :              -0.00000732847982
                   -1 :               0.00000146414419
                   +0 :              -0.00001432341967
                   +1 :              -0.00000116442322
                   +2 :              -0.00002750127753
             12 vec=    13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00002629731490
                2s
                   +0 :              -0.00043161307016
                3s
                   +0 :               0.00005652257507
                2p
                   -1 :               0.00006966600061
                   +0 :               0.00007892084792
                   +1 :              -0.00029233004534
                3p
                   -1 :              -0.00002326317150
                   +0 :              -0.00003386418352
                   +1 :              -0.00007072969134
                3d
                   -2 :               0.00000401054135
                   -1 :              -0.00000108399311
                   +0 :               0.00000808309993
                   +1 :               0.00000789090696
                   +2 :              -0.00001761485118
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 16)  npairs=  18
              1 vec=     3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00008242764750
                2s
                   +0 :               0.00060321115458
                3s
                   +0 :              -0.00034212246458
                2p
                   -1 :               0.00009458500128
                   +0 :              -0.00050215954410
                   +1 :               0.00007715241006
                3p
                   -1 :              -0.00008422824911
                   +0 :               0.00047012346197
                   +1 :               0.00000383285177
                3d
                   -2 :              -0.00001682170466
                   -1 :               0.00001309719207
                   +0 :              -0.00004511278675
                   +1 :               0.00001689439745
                   +2 :               0.00000756285939
              2 vec=     3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00010226567124
                2s
                   +0 :              -0.00085629143982
                3s
                   +0 :               0.00035713967952
                2p
                   -1 :               0.00025854327214
                   +0 :              -0.00058294991987
                   +1 :               0.00041213332715
                3p
                   -1 :              -0.00017328779427
                   +0 :               0.00044779872108
                   +1 :              -0.00029823234962
                3d
                   -2 :               0.00001076452945
                   -1 :               0.00000395924869
                   +0 :               0.00006582129710
                   +1 :              -0.00000160743190
                   +2 :              -0.00001821486999
              3 vec=    -4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00003290123679
                2s
                   +0 :               0.00014821301856
                3s
                   +0 :              -0.00007794138840
                2p
                   -1 :              -0.00015339718994
                   +0 :              -0.00020478139236
                   +1 :              -0.00055126523441
                3p
                   -1 :              -0.00002696985749
                   +0 :               0.00012394966408
                   +1 :               0.00014357741989
                3d
                   -2 :               0.00003510782680
                   -1 :               0.00003106139658
                   +0 :               0.00000526203582
                   +1 :               0.00002564899909
                   +2 :              -0.00001667197753
              4 vec=    -4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00000590431838
                2s
                   +0 :               0.00013067510706
                3s
                   +0 :               0.00005237918767
                2p
                   -1 :              -0.00065615579708
                   +0 :               0.00009578405231
                   +1 :              -0.00014721043364
                3p
                   -1 :               0.00016571599608
                   +0 :               0.00005451630227
                   +1 :              -0.00007181186391
                3d
                   -2 :               0.00000823739819
                   -1 :              -0.00002270394611
                   +0 :               0.00000820468897
                   +1 :              -0.00002474204141
                   +2 :               0.00001761684408
              5 vec=    -4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000026533594
                2s
                   +0 :               0.00011315200982
                3s
                   +0 :               0.00006907469839
                2p
                   -1 :              -0.00016636756726
                   +0 :               0.00001371479154
                   +1 :              -0.00000402374312
                3p
                   -1 :               0.00009160188807
                   +0 :              -0.00011460641909
                   +1 :              -0.00005710188463
                3d
                   -2 :               0.00000361970197
                   -1 :              -0.00000513007221
                   +0 :               0.00002598196134
                   +1 :               0.00001384294070
                   +2 :               0.00000476053395
              6 vec=    -4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001308908205
                2s
                   +0 :              -0.00036944457049
                3s
                   +0 :               0.00000427548109
                2p
                   -1 :              -0.00028950477558
                   +0 :              -0.00002283645791
                   +1 :               0.00014646809033
                3p
                   -1 :               0.00028922766243
                   +0 :              -0.00015647030814
                   +1 :               0.00004961752867
                3d
                   -2 :              -0.00002499524734
                   -1 :               0.00001684899374
                   +0 :              -0.00002317024119
                   +1 :               0.00001426387891
                   +2 :              -0.00001954403336
              7 vec=     3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00007982334095
                2s
                   +0 :               0.00111582718004
                3s
                   +0 :              -0.00007155294587
                2p
                   -1 :               0.00025975832803
                   +0 :              -0.00059690399685
                   +1 :              -0.00004714683048
                3p
                   -1 :               0.00004804719400
                   +0 :              -0.00003346149080
                   +1 :               0.00007044229932
                3d
                   -2 :               0.00000876692939
                   -1 :              -0.00003146263891
                   +0 :               0.00003867255222
                   +1 :              -0.00000437110463
                   +2 :              -0.00002869904847
              8 vec=     3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005512869386
                2s
                   +0 :               0.00058536697201
                3s
                   +0 :              -0.00012810248902
                2p
                   -1 :               0.00013805888005
                   +0 :               0.00049866466877
                   +1 :              -0.00006183393733
                3p
                   -1 :               0.00002167957127
                   +0 :              -0.00014025966174
                   +1 :               0.00001361420179
                3d
                   -2 :              -0.00000714766835
                   -1 :               0.00001522227475
                   +0 :              -0.00000316622843
                   +1 :              -0.00000487645404
                   +2 :              -0.00001160875153
              9 vec=     3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002009276049
                2s
                   +0 :               0.00013081687508
                3s
                   +0 :              -0.00005473967614
                2p
                   -1 :              -0.00006064873358
                   +0 :              -0.00004832101346
                   +1 :               0.00019581367384
                3p
                   -1 :               0.00005249999062
                   +0 :               0.00009736304298
                   +1 :              -0.00014639159535
                3d
                   -2 :               0.00000932524689
                   -1 :               0.00000401132167
                   +0 :              -0.00000471795749
                   +1 :               0.00001998276764
                   +2 :              -0.00000332566521
             10 vec=     3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001232333148
                2s
                   +0 :              -0.00001671073588
                3s
                   +0 :              -0.00009989121555
                2p
                   -1 :              -0.00013129490050
                   +0 :               0.00015795817005
                   +1 :              -0.00004047165039
                3p
                   -1 :               0.00019382415756
                   +0 :              -0.00028433950604
                   +1 :               0.00001827101602
                3d
                   -2 :              -0.00000044515246
                   -1 :               0.00001451524854
                   +0 :              -0.00002030017592
                   +1 :               0.00000116833244
                   +2 :              -0.00000044408509
             11 vec=    10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002471784743
                2s
                   +0 :              -0.00011742570292
                3s
                   +0 :               0.00011189794728
                2p
                   -1 :              -0.00002908123261
                   +0 :               0.00018587208069
                   +1 :              -0.00014892703891
                3p
                   -1 :               0.00000179719823
                   +0 :              -0.00017174645752
                   +1 :               0.00018675463495
                3d
                   -2 :              -0.00000297662773
                   -1 :              -0.00000113526818
                   +0 :               0.00001289689172
                   +1 :              -0.00001286382018
                   +2 :               0.00001488453240
             12 vec=    10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001129529301
                2s
                   +0 :              -0.00006487433586
                3s
                   +0 :               0.00003079774960
                2p
                   -1 :              -0.00001711409480
                   +0 :              -0.00007632568689
                   +1 :              -0.00006503071434
                3p
                   -1 :              -0.00000752367440
                   +0 :               0.00003809338046
                   +1 :               0.00006947086782
                3d
                   -2 :              -0.00000102508639
                   -1 :              -0.00001185361994
                   +0 :               0.00000158001421
                   +1 :              -0.00000109960887
                   +2 :               0.00000142657642
             13 vec=    10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000989655990
                2s
                   +0 :              -0.00009240990584
                3s
                   +0 :               0.00002137097100
                2p
                   -1 :              -0.00003151820481
                   +0 :               0.00002907123295
                   +1 :              -0.00008596948141
                3p
                   -1 :               0.00004122326104
                   +0 :               0.00003027966944
                   +1 :               0.00004436620460
                3d
                   -2 :               0.00000184910056
                   -1 :              -0.00000221326306
                   +0 :              -0.00000320638285
                   +1 :              -0.00000109999561
                   +2 :              -0.00000111965571
             14 vec=    10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001481710803
                2s
                   +0 :              -0.00015922530843
                3s
                   +0 :               0.00002083601184
                2p
                   -1 :               0.00002260493246
                   +0 :              -0.00006893651844
                   +1 :              -0.00005708458985
                3p
                   -1 :               0.00001011056304
                   +0 :               0.00002455798546
                   +1 :               0.00000110631554
                3d
                   -2 :               0.00000106979669
                   -1 :               0.00000379908318
                   +0 :               0.00000033186597
                   +1 :              -0.00000061595923
                   +2 :              -0.00000448447166
             15 vec=   -12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001200050455
                2s
                   +0 :               0.00007425737106
                3s
                   +0 :              -0.00004265515523
                2p
                   -1 :               0.00000092770272
                   +0 :              -0.00008331254358
                   +1 :              -0.00009891538097
                3p
                   -1 :              -0.00000248755457
                   +0 :               0.00002182159684
                   +1 :               0.00005524220318
                3d
                   -2 :              -0.00000245683240
                   -1 :               0.00000390758105
                   +0 :              -0.00000043541107
                   +1 :              -0.00000384496459
                   +2 :              -0.00000649610273
             16 vec=   -12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002825953942
                2s
                   +0 :               0.00020277923612
                3s
                   +0 :              -0.00008257613647
                2p
                   -1 :              -0.00003072993639
                   +0 :               0.00008819931617
                   +1 :               0.00003123534448
                3p
                   -1 :              -0.00000910855480
                   +0 :              -0.00003242169822
                   +1 :              -0.00001401240745
                3d
                   -2 :               0.00000452050034
                   -1 :              -0.00000637739470
                   +0 :              -0.00000366824097
                   +1 :              -0.00000143749398
                   +2 :               0.00000365403439
             17 vec=    -4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000075190535
                2s
                   +0 :              -0.00000451889726
                3s
                   +0 :              -0.00000360665726
                2p
                   -1 :               0.00011234422472
                   +0 :              -0.00002582496057
                   +1 :               0.00001052444209
                3p
                   -1 :              -0.00007993198674
                   +0 :               0.00002071491435
                   +1 :              -0.00003251804567
                3d
                   -2 :              -0.00000073481019
                   -1 :               0.00000561028460
                   +0 :               0.00000078837418
                   +1 :               0.00000112748807
                   +2 :               0.00000356663289
             18 vec=    -4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000283354616
                2s
                   +0 :               0.00006184271367
                3s
                   +0 :               0.00000269392203
                2p
                   -1 :               0.00003419238211
                   +0 :              -0.00006393308021
                   +1 :               0.00004742365432
                3p
                   -1 :              -0.00003172912181
                   +0 :               0.00006703554488
                   +1 :              -0.00004761908668
                3d
                   -2 :               0.00000006415935
                   -1 :               0.00000137032844
                   +0 :               0.00000471978514
                   +1 :              -0.00000422514798
                   +2 :               0.00000183038948
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 17)  npairs=  14
              1 vec=     0.000000      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005284891673
                2s
                   +0 :               0.00060706867261
                3s
                   +0 :              -0.00011811791880
                2p
                   -1 :              -0.00021552025337
                   +0 :              -0.00000627297500
                   +1 :              -0.00015663767091
                3p
                   -1 :               0.00003013523658
                   +0 :              -0.00008331930864
                   +1 :               0.00002729628727
                3d
                   -2 :               0.00000713908038
                   -1 :               0.00000406209847
                   +0 :               0.00001183170555
                   +1 :               0.00000206119971
                   +2 :              -0.00000955486925
              2 vec=     0.000000      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00001233948795
                2s
                   +0 :              -0.00007994748527
                3s
                   +0 :              -0.00003399183953
                2p
                   -1 :              -0.00011726854458
                   +0 :               0.00007017447471
                   +1 :              -0.00016220205144
                3p
                   -1 :              -0.00006639510433
                   +0 :              -0.00024536226565
                   +1 :               0.00009775537278
                3d
                   -2 :              -0.00000081059424
                   -1 :              -0.00001543043981
                   +0 :              -0.00005359106721
                   +1 :              -0.00001291433075
                   +2 :               0.00003044646047
              3 vec=     0.000000     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00008768506077
                2s
                   +0 :               0.00062852802105
                3s
                   +0 :              -0.00031877634968
                2p
                   -1 :              -0.00016632751506
                   +0 :              -0.00053852294593
                   +1 :               0.00007449803304
                3p
                   -1 :               0.00012440753482
                   +0 :               0.00051703566658
                   +1 :               0.00004661779959
                3d
                   -2 :              -0.00001950044675
                   -1 :              -0.00002203507345
                   +0 :              -0.00003857058113
                   +1 :              -0.00001466183904
                   +2 :               0.00000198047172
              4 vec=     0.000000     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00003867284114
                2s
                   +0 :              -0.00058599166781
                3s
                   +0 :               0.00002406148884
                2p
                   -1 :               0.00006040809994
                   +0 :              -0.00041020376136
                   +1 :               0.00010236990211
                3p
                   -1 :              -0.00000533272449
                   +0 :               0.00008223703537
                   +1 :              -0.00006016027178
                3d
                   -2 :               0.00002754859009
                   -1 :               0.00000368414661
                   +0 :              -0.00003385763863
                   +1 :              -0.00000028827250
                   +2 :               0.00000010285875
              5 vec=    -7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00004157979579
                2s
                   +0 :              -0.00036116547030
                3s
                   +0 :               0.00012257272435
                2p
                   -1 :               0.00054107768695
                   +0 :               0.00050195303851
                   +1 :               0.00004057330576
                3p
                   -1 :              -0.00036877797578
                   +0 :              -0.00029626058569
                   +1 :              -0.00004726038105
                3d
                   -2 :               0.00000603867040
                   -1 :               0.00001331966413
                   +0 :               0.00000872287960
                   +1 :               0.00000632116534
                   +2 :               0.00000135028289
              6 vec=    -7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00009402546400
                2s
                   +0 :              -0.00080426779332
                3s
                   +0 :               0.00023808452421
                2p
                   -1 :               0.00008287760201
                   +0 :              -0.00057220868029
                   +1 :               0.00040093885393
                3p
                   -1 :              -0.00002501714176
                   +0 :               0.00019693985933
                   +1 :              -0.00020637686768
                3d
                   -2 :               0.00000820992620
                   -1 :               0.00002360942216
                   +0 :              -0.00000195656682
                   +1 :              -0.00000521033744
                   +2 :               0.00001123052947
              7 vec=     7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00002025598726
                2s
                   +0 :               0.00003662388995
                3s
                   +0 :              -0.00005790348634
                2p
                   -1 :              -0.00018743371597
                   +0 :              -0.00015544609772
                   +1 :               0.00009495225611
                3p
                   -1 :               0.00020009667648
                   +0 :               0.00026331245209
                   +1 :              -0.00008286532792
                3d
                   -2 :               0.00000767746354
                   -1 :              -0.00003099206097
                   +0 :              -0.00002398191215
                   +1 :               0.00001092565708
                   +2 :              -0.00001826533856
              8 vec=     7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000889894413
                2s
                   +0 :              -0.00022078089063
                3s
                   +0 :              -0.00004802419419
                2p
                   -1 :               0.00019950272086
                   +0 :               0.00005363821242
                   +1 :               0.00001449771281
                3p
                   -1 :              -0.00011892535281
                   +0 :              -0.00028010479263
                   +1 :              -0.00009438696433
                3d
                   -2 :               0.00001468103957
                   -1 :               0.00000852767657
                   +0 :              -0.00002834204607
                   +1 :              -0.00002863347351
                   +2 :              -0.00000410659950
              9 vec=    -7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000440461301
                2s
                   +0 :              -0.00005547494211
                3s
                   +0 :               0.00000279221127
                2p
                   -1 :              -0.00005332604058
                   +0 :              -0.00011549630575
                   +1 :              -0.00016561170724
                3p
                   -1 :               0.00004630487017
                   +0 :               0.00003108494266
                   +1 :               0.00006703765621
                3d
                   -2 :               0.00000163934945
                   -1 :              -0.00000394238607
                   +0 :               0.00001260516903
                   +1 :               0.00000053074482
                   +2 :              -0.00000094151801
             10 vec=    -7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001603773992
                2s
                   +0 :               0.00017147992587
                3s
                   +0 :              -0.00002550849603
                2p
                   -1 :              -0.00000098365814
                   +0 :               0.00004834039286
                   +1 :              -0.00020301699496
                3p
                   -1 :               0.00002385534647
                   +0 :               0.00003415588579
                   +1 :               0.00014491716297
                3d
                   -2 :               0.00000294599049
                   -1 :               0.00000384366863
                   +0 :               0.00001502281486
                   +1 :               0.00001140365548
                   +2 :              -0.00000285170799
             11 vec=     7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002654358561
                2s
                   +0 :               0.00021869801213
                3s
                   +0 :              -0.00006800048110
                2p
                   -1 :               0.00009499266136
                   +0 :              -0.00018864474817
                   +1 :               0.00009827014455
                3p
                   -1 :              -0.00003448994484
                   +0 :               0.00008011000298
                   +1 :              -0.00003408860368
                3d
                   -2 :              -0.00001110293234
                   -1 :               0.00000540814997
                   +0 :              -0.00000123092821
                   +1 :               0.00000492389672
                   +2 :               0.00001058283626
             12 vec=     7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000562216559
                2s
                   +0 :               0.00003186310957
                3s
                   +0 :              -0.00001405690017
                2p
                   -1 :              -0.00016281443266
                   +0 :              -0.00006821661038
                   +1 :               0.00008002857569
                3p
                   -1 :               0.00012698930101
                   +0 :               0.00012591780977
                   +1 :              -0.00005688753095
                3d
                   -2 :               0.00000075301883
                   -1 :               0.00000913185763
                   +0 :               0.00000344882394
                   +1 :              -0.00000900541909
                   +2 :              -0.00000989358519
             13 vec=     0.000000     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001924520972
                2s
                   +0 :               0.00018998517520
                3s
                   +0 :              -0.00003286221746
                2p
                   -1 :               0.00012947688061
                   +0 :              -0.00008163451913
                   +1 :              -0.00006358033783
                3p
                   -1 :              -0.00001876924221
                   +0 :               0.00001266785704
                   +1 :               0.00001059964386
                3d
                   -2 :              -0.00000547991169
                   -1 :               0.00000416094768
                   +0 :               0.00000074300382
                   +1 :               0.00000210978508
                   +2 :               0.00000348748500
             14 vec=     0.000000     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001485388345
                2s
                   +0 :               0.00021350668854
                3s
                   +0 :              -0.00002266998493
                2p
                   -1 :               0.00022519812938
                   +0 :               0.00013299803110
                   +1 :              -0.00001627536501
                3p
                   -1 :              -0.00009718903351
                   +0 :              -0.00000785396410
                   +1 :              -0.00001203183512
                3d
                   -2 :              -0.00000576508592
                   -1 :              -0.00000117482866
                   +0 :               0.00000182620679
                   +1 :               0.00000066006806
                   +2 :              -0.00000055105788
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 18)  npairs=  14
              1 vec=    -2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00010431890236
                2s
                   +0 :               0.00088178251094
                3s
                   +0 :              -0.00035694325958
                2p
                   -1 :              -0.00013322650817
                   +0 :              -0.00043457869678
                   +1 :               0.00007805585157
                3p
                   -1 :               0.00018704109069
                   +0 :               0.00025570906379
                   +1 :              -0.00011182903531
                3d
                   -2 :               0.00002235969546
                   -1 :              -0.00000562808478
                   +0 :              -0.00000795227606
                   +1 :              -0.00001173104833
                   +2 :               0.00000532744985
              2 vec=    -2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00007958114999
                2s
                   +0 :              -0.00073572809258
                3s
                   +0 :               0.00026769618860
                2p
                   -1 :               0.00009466426199
                   +0 :              -0.00049576590903
                   +1 :              -0.00037795617216
                3p
                   -1 :              -0.00006154755087
                   +0 :               0.00035548528049
                   +1 :               0.00025904403121
                3d
                   -2 :              -0.00001048882233
                   -1 :               0.00000023050526
                   +0 :               0.00003292411778
                   +1 :               0.00001372496535
                   +2 :               0.00002262539242
              3 vec=     5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001752062088
                2s
                   +0 :               0.00034847246468
                3s
                   +0 :               0.00000188606287
                2p
                   -1 :              -0.00043695056137
                   +0 :              -0.00032774188608
                   +1 :               0.00053033749589
                3p
                   -1 :               0.00007403697937
                   +0 :               0.00005792428957
                   +1 :              -0.00018956089914
                3d
                   -2 :              -0.00001530833813
                   -1 :               0.00002018134242
                   +0 :               0.00000042991558
                   +1 :              -0.00002527924719
                   +2 :               0.00003261270968
              4 vec=     5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00005464740649
                2s
                   +0 :              -0.00001470365210
                3s
                   +0 :               0.00025973316689
                2p
                   -1 :              -0.00078007173119
                   +0 :               0.00020977942557
                   +1 :               0.00011311179807
                3p
                   -1 :               0.00026985070382
                   +0 :               0.00017756045429
                   +1 :               0.00020092619149
                3d
                   -2 :              -0.00000015901546
                   -1 :              -0.00001324016094
                   +0 :               0.00002793555264
                   +1 :               0.00005516983474
                   +2 :               0.00000914666493
              5 vec=    -2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004387319857
                2s
                   +0 :               0.00043378654397
                3s
                   +0 :              -0.00007711120518
                2p
                   -1 :               0.00017677203833
                   +0 :              -0.00033685269033
                   +1 :              -0.00004697920881
                3p
                   -1 :              -0.00004574041124
                   +0 :               0.00010538018109
                   +1 :              -0.00002068618289
                3d
                   -2 :               0.00000092387954
                   -1 :              -0.00002143165320
                   +0 :               0.00000184996762
                   +1 :              -0.00000548686579
                   +2 :               0.00000934126959
              6 vec=    -2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004193705785
                2s
                   +0 :               0.00042635091116
                3s
                   +0 :              -0.00013270186747
                2p
                   -1 :               0.00000436696107
                   +0 :               0.00021236063901
                   +1 :               0.00010958368005
                3p
                   -1 :               0.00007100251935
                   +0 :              -0.00005854552259
                   +1 :               0.00000341873212
                3d
                   -2 :               0.00000375069992
                   -1 :               0.00000855447729
                   +0 :              -0.00001673554952
                   +1 :               0.00001029853472
                   +2 :              -0.00001059645322
              7 vec=     5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002482489375
                2s
                   +0 :              -0.00010880666661
                3s
                   +0 :               0.00007879592847
                2p
                   -1 :               0.00018924094788
                   +0 :               0.00018926101153
                   +1 :               0.00017307412166
                3p
                   -1 :              -0.00017921224373
                   +0 :              -0.00014937552467
                   +1 :              -0.00013864214686
                3d
                   -2 :              -0.00000355671129
                   -1 :               0.00002242080573
                   +0 :               0.00003001613007
                   +1 :               0.00000926764961
                   +2 :              -0.00000162912207
              8 vec=     5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001935255622
                2s
                   +0 :              -0.00034851003777
                3s
                   +0 :               0.00000102409824
                2p
                   -1 :               0.00006430844295
                   +0 :              -0.00041268543239
                   +1 :              -0.00047409143009
                3p
                   -1 :              -0.00009493790464
                   +0 :               0.00024450915030
                   +1 :               0.00026925817073
                3d
                   -2 :              -0.00003197179128
                   -1 :              -0.00000505569901
                   +0 :               0.00001765008352
                   +1 :               0.00001073562084
                   +2 :              -0.00000638699855
              9 vec=   -10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00006817072203
                2s
                   +0 :              -0.00060994262763
                3s
                   +0 :               0.00016556174871
                2p
                   -1 :              -0.00009649410932
                   +0 :               0.00024509457385
                   +1 :               0.00005245403517
                3p
                   -1 :               0.00011266026166
                   +0 :              -0.00013226685983
                   +1 :               0.00002782406670
                3d
                   -2 :              -0.00001467984398
                   -1 :              -0.00001092001651
                   +0 :              -0.00000468695602
                   +1 :              -0.00000218343504
                   +2 :              -0.00001978435345
             10 vec=   -10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000531028031
                2s
                   +0 :               0.00001710971344
                3s
                   +0 :               0.00003262692698
                2p
                   -1 :              -0.00011881813834
                   +0 :              -0.00000057776457
                   +1 :               0.00014815384563
                3p
                   -1 :               0.00008085620376
                   +0 :               0.00002911839623
                   +1 :              -0.00012390920905
                3d
                   -2 :               0.00000863103373
                   -1 :               0.00000104651402
                   +0 :              -0.00000091086570
                   +1 :              -0.00000472489598
                   +2 :               0.00000547963095
             11 vec=    -2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002576140471
                2s
                   +0 :               0.00019874858210
                3s
                   +0 :              -0.00006830766618
                2p
                   -1 :               0.00000882402715
                   +0 :              -0.00024984067557
                   +1 :              -0.00024209923071
                3p
                   -1 :              -0.00001385554494
                   +0 :               0.00024233232757
                   +1 :               0.00025120382545
                3d
                   -2 :              -0.00002028130765
                   -1 :               0.00000422952428
                   +0 :              -0.00001199136761
                   +1 :              -0.00003346460284
                   +2 :              -0.00000026882146
             12 vec=    -2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00004149578046
                2s
                   +0 :              -0.00028475514922
                3s
                   +0 :               0.00010639262273
                2p
                   -1 :               0.00033679505462
                   +0 :              -0.00025626003962
                   +1 :              -0.00006884560918
                3p
                   -1 :              -0.00024396684531
                   +0 :               0.00012062400427
                   +1 :               0.00010517593236
                3d
                   -2 :               0.00000525988355
                   -1 :              -0.00002288306898
                   +0 :               0.00000775232256
                   +1 :               0.00000437934694
                   +2 :              -0.00000938131267
             13 vec=   -10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001498943898
                2s
                   +0 :              -0.00012733988383
                3s
                   +0 :               0.00006113062662
                2p
                   -1 :               0.00006424796901
                   +0 :               0.00021753556347
                   +1 :               0.00011640419365
                3p
                   -1 :              -0.00002209959260
                   +0 :              -0.00014725702764
                   +1 :              -0.00010072007460
                3d
                   -2 :              -0.00000192041245
                   -1 :               0.00000585144317
                   +0 :               0.00000480066273
                   +1 :               0.00000099894160
                   +2 :               0.00000369032334
             14 vec=   -10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000231862117
                2s
                   +0 :              -0.00003321941704
                3s
                   +0 :              -0.00000699293346
                2p
                   -1 :               0.00003074513243
                   +0 :              -0.00002993445632
                   +1 :               0.00012129996562
                3p
                   -1 :               0.00001335931424
                   +0 :               0.00000840586772
                   +1 :              -0.00005469364680
                3d
                   -2 :               0.00000439450769
                   -1 :               0.00000180155766
                   +0 :              -0.00000050240013
                   +1 :              -0.00000739762064
                   +2 :               0.00000549070282
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 19)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00032435644524
                2s
                   +0 :               0.00318546102416
                3s
                   +0 :              -0.00056268870933
                2p
                   -1 :              -0.00076809233646
                   +0 :               0.00259077127615
                   +1 :              -0.00273294300980
                3p
                   -1 :               0.00062480712048
                   +0 :              -0.00063130613013
                   +1 :               0.00056330804302
                3d
                   -2 :               0.00004656723542
                   -1 :               0.00009920308949
                   +0 :               0.00000098119312
                   +1 :              -0.00008191224112
                   +2 :               0.00009282602079
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00004200507042
                2s
                   +0 :              -0.00004081631594
                3s
                   +0 :              -0.00032834117152
                2p
                   -1 :               0.00161200333633
                   +0 :              -0.00182686418225
                   +1 :              -0.00037994712559
                3p
                   -1 :              -0.00048479505944
                   +0 :               0.00052904769955
                   +1 :               0.00004477383308
                3d
                   -2 :              -0.00003589632837
                   -1 :               0.00007754042824
                   +0 :               0.00001626830378
                   +1 :              -0.00012022248957
                   +2 :              -0.00000875136645
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00039131855451
                2s
                   +0 :              -0.00309945501759
                3s
                   +0 :               0.00068481851448
                2p
                   -1 :              -0.00031278904650
                   +0 :              -0.00202285541390
                   +1 :              -0.00365810802202
                3p
                   -1 :              -0.00085582873915
                   +0 :              -0.00036413511961
                   +1 :               0.00174943276220
                3d
                   -2 :              -0.00019231587832
                   -1 :              -0.00019459091776
                   +0 :              -0.00010372196044
                   +1 :              -0.00003266623470
                   +2 :               0.00006965180313
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00001965771213
                2s
                   +0 :              -0.00003109001500
                3s
                   +0 :              -0.00000214992243
                2p
                   -1 :               0.00052275165274
                   +0 :               0.00006697644693
                   +1 :               0.00008735159184
                3p
                   -1 :              -0.00044507288068
                   +0 :               0.00011658752808
                   +1 :               0.00003768771962
                3d
                   -2 :               0.00000242110778
                   -1 :               0.00001716214978
                   +0 :              -0.00000008328527
                   +1 :               0.00002090379202
                   +2 :              -0.00005492908354
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001238281915
                2s
                   +0 :               0.00032452843153
                3s
                   +0 :               0.00001048825263
                2p
                   -1 :               0.00005862501633
                   +0 :              -0.00027668449530
                   +1 :               0.00000082005403
                3p
                   -1 :              -0.00001690539036
                   +0 :               0.00023363508655
                   +1 :               0.00004129992157
                3d
                   -2 :               0.00000439570585
                   -1 :              -0.00000331017040
                   +0 :               0.00002392669384
                   +1 :               0.00002443760858
                   +2 :               0.00001431627040
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001116838682
                2s
                   +0 :              -0.00065493808327
                3s
                   +0 :              -0.00000475808032
                2p
                   -1 :               0.00065472621434
                   +0 :              -0.00045922332232
                   +1 :               0.00020492802728
                3p
                   -1 :              -0.00035512601265
                   +0 :               0.00025424035583
                   +1 :              -0.00017615890728
                3d
                   -2 :               0.00000361645652
                   -1 :              -0.00001963394601
                   +0 :               0.00006507281587
                   +1 :               0.00000503165393
                   +2 :              -0.00003261168208
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001300175568
                2s
                   +0 :               0.00011010124049
                3s
                   +0 :              -0.00001390540143
                2p
                   -1 :              -0.00020062092264
                   +0 :               0.00021904459221
                   +1 :               0.00003292025483
                3p
                   -1 :               0.00020955766476
                   +0 :              -0.00015069065239
                   +1 :              -0.00007578724982
                3d
                   -2 :              -0.00001632019949
                   -1 :               0.00001352363902
                   +0 :              -0.00001831780888
                   +1 :               0.00001024162350
                   +2 :              -0.00001083491439
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001537957983
                2s
                   +0 :               0.00019588402909
                3s
                   +0 :              -0.00001527515857
                2p
                   -1 :               0.00012553706022
                   +0 :               0.00021001044474
                   +1 :              -0.00011851547898
                3p
                   -1 :              -0.00002113795303
                   +0 :              -0.00010895091865
                   +1 :               0.00009052140122
                3d
                   -2 :               0.00000284408981
                   -1 :               0.00000476863613
                   +0 :               0.00000479737020
                   +1 :               0.00000588427085
                   +2 :              -0.00000182680302
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001674047280
                2s
                   +0 :              -0.00010050654420
                3s
                   +0 :               0.00004255632779
                2p
                   -1 :              -0.00010781610360
                   +0 :              -0.00008811297001
                   +1 :               0.00018024811368
                3p
                   -1 :               0.00006454781090
                   +0 :               0.00004826900608
                   +1 :              -0.00009596025968
                3d
                   -2 :               0.00000033034092
                   -1 :               0.00000013201031
                   +0 :               0.00000441958687
                   +1 :              -0.00001020541792
                   +2 :               0.00000774824750
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00005032752613
                2s
                   +0 :              -0.00038502780143
                3s
                   +0 :               0.00013829478203
                2p
                   -1 :               0.00021422311157
                   +0 :              -0.00015418030527
                   +1 :              -0.00001320100815
                3p
                   -1 :              -0.00010227133281
                   +0 :               0.00008050709002
                   +1 :               0.00005094407456
                3d
                   -2 :               0.00002272198920
                   -1 :              -0.00000908897977
                   +0 :              -0.00000782608772
                   +1 :               0.00000719588875
                   +2 :               0.00000181467098
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000846529269
                2s
                   +0 :              -0.00003070527936
                3s
                   +0 :               0.00004380768998
                2p
                   -1 :               0.00004305025842
                   +0 :               0.00007884639001
                   +1 :              -0.00011851391760
                3p
                   -1 :              -0.00003780226461
                   +0 :              -0.00005484372283
                   +1 :               0.00015845829619
                3d
                   -2 :              -0.00000981522638
                   -1 :               0.00000738908314
                   +0 :              -0.00000864116133
                   +1 :              -0.00000841589138
                   +2 :               0.00000785836642
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000287021372
                2s
                   +0 :              -0.00005759321475
                3s
                   +0 :              -0.00001787240857
                2p
                   -1 :              -0.00004931605194
                   +0 :              -0.00007054504787
                   +1 :              -0.00008018385570
                3p
                   -1 :               0.00005871266816
                   +0 :               0.00006607163445
                   +1 :               0.00002331620084
                3d
                   -2 :               0.00001133032243
                   -1 :              -0.00000287541653
                   +0 :               0.00000652596752
                   +1 :               0.00000893098268
                   +2 :               0.00000100286878
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000707982742
                2s
                   +0 :              -0.00005654221672
                3s
                   +0 :               0.00001977929388
                2p
                   -1 :               0.00003436997899
                   +0 :               0.00000824622922
                   +1 :              -0.00013499329770
                3p
                   -1 :              -0.00002886258772
                   +0 :               0.00001581611584
                   +1 :               0.00008910683300
                3d
                   -2 :              -0.00000449130358
                   -1 :               0.00000342659243
                   +0 :              -0.00000646141356
                   +1 :              -0.00000320196322
                   +2 :               0.00000164913631
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000011426448
                2s
                   +0 :               0.00005042719608
                3s
                   +0 :               0.00001073287522
                2p
                   -1 :              -0.00000025594841
                   +0 :               0.00001373147077
                   +1 :              -0.00002908284358
                3p
                   -1 :              -0.00000967358563
                   +0 :              -0.00002220244177
                   +1 :               0.00002487627439
                3d
                   -2 :              -0.00000567113494
                   -1 :               0.00000240444035
                   +0 :              -0.00000025817038
                   +1 :              -0.00000301749455
                   +2 :              -0.00000029111614
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000449932927
                2s
                   +0 :               0.00002612130886
                3s
                   +0 :               0.00003482051903
                2p
                   -1 :              -0.00008178476106
                   +0 :               0.00001848326683
                   +1 :              -0.00004557450166
                3p
                   -1 :               0.00003216094740
                   +0 :              -0.00004803214776
                   +1 :               0.00003893905963
                3d
                   -2 :              -0.00000110606357
                   -1 :               0.00000596093582
                   +0 :              -0.00000120479070
                   +1 :              -0.00000071651185
                   +2 :               0.00000086084523
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 20)  npairs=  14
              1 vec=     0.418832     -0.000150      8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00039702072993
                2s
                   +0 :              -0.00248435822510
                3s
                   +0 :               0.00090090456174
                2p
                   -1 :              -0.00300182723532
                   +0 :              -0.00145092152044
                   +1 :               0.00108866748031
                3p
                   -1 :               0.00107713381092
                   +0 :               0.00052266501657
                   +1 :              -0.00090885630425
                3d
                   -2 :               0.00012080841554
                   -1 :              -0.00002232889053
                   +0 :              -0.00018618219537
                   +1 :              -0.00006568541931
                   +2 :              -0.00008545509169
              2 vec=    -7.361331      4.491729      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00007675195987
                2s
                   +0 :              -0.00016349399914
                3s
                   +0 :               0.00020708089797
                2p
                   -1 :               0.00017814217426
                   +0 :              -0.00007194046620
                   +1 :              -0.00130087276173
                3p
                   -1 :              -0.00034317051574
                   +0 :               0.00012381451874
                   +1 :               0.00088419506850
                3d
                   -2 :               0.00007658828830
                   -1 :              -0.00006691851004
                   +0 :               0.00002588311498
                   +1 :              -0.00000245610711
                   +2 :               0.00001854472644
              3 vec=    -7.361331     -4.492029      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00003196165065
                2s
                   +0 :              -0.00056987737685
                3s
                   +0 :               0.00012362289668
                2p
                   -1 :               0.00042836968602
                   +0 :              -0.00034133322221
                   +1 :               0.00004062446016
                3p
                   -1 :              -0.00058532741808
                   +0 :               0.00002877704982
                   +1 :               0.00023774106464
                3d
                   -2 :               0.00004830664606
                   -1 :              -0.00004708139305
                   +0 :              -0.00001796011224
                   +1 :               0.00003289859807
                   +2 :              -0.00006255727345
              4 vec=     0.418832      8.983608      8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00017618125291
                2s
                   +0 :               0.00174797448264
                3s
                   +0 :              -0.00043364973681
                2p
                   -1 :               0.00102215198463
                   +0 :               0.00057110462105
                   +1 :               0.00054386555444
                3p
                   -1 :              -0.00043271829784
                   +0 :              -0.00001917328599
                   +1 :              -0.00035676666386
                3d
                   -2 :              -0.00003305137646
                   -1 :              -0.00003030540636
                   +0 :               0.00004265565368
                   +1 :               0.00000151123172
                   +2 :               0.00002540297353
              5 vec=     0.418832     -8.983908      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00026072551588
                2s
                   +0 :               0.00114627484221
                3s
                   +0 :              -0.00097044052998
                2p
                   -1 :              -0.00080584153689
                   +0 :               0.00081414137424
                   +1 :              -0.00164871127243
                3p
                   -1 :               0.00098167078848
                   +0 :              -0.00075669614164
                   +1 :               0.00143262908304
                3d
                   -2 :              -0.00009193367044
                   -1 :               0.00015517057126
                   +0 :              -0.00006715092780
                   +1 :               0.00012159711412
                   +2 :               0.00005387806436
              6 vec=     8.198995      4.491729      8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00006331644911
                2s
                   +0 :              -0.00027362187996
                3s
                   +0 :               0.00019348374262
                2p
                   -1 :               0.00000632250794
                   +0 :               0.00027347790705
                   +1 :               0.00085967672096
                3p
                   -1 :              -0.00020367471768
                   +0 :              -0.00021312729438
                   +1 :              -0.00058113737031
                3d
                   -2 :              -0.00002936835749
                   -1 :              -0.00000812636609
                   +0 :              -0.00000354502254
                   +1 :              -0.00002805305794
                   +2 :               0.00000748342752
              7 vec=     8.198995     -4.492029      8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00003657287821
                2s
                   +0 :              -0.00059935592591
                3s
                   +0 :               0.00007347746048
                2p
                   -1 :              -0.00043383579784
                   +0 :              -0.00058903315855
                   +1 :              -0.00033691308459
                3p
                   -1 :               0.00027742138049
                   +0 :               0.00030419343514
                   +1 :               0.00006704270282
                3d
                   -2 :               0.00000467232936
                   -1 :              -0.00001141270512
                   +0 :              -0.00002944454971
                   +1 :              -0.00000150767632
                   +2 :               0.00002634270756
              8 vec=     0.418832     -0.000150    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000102042252
                2s
                   +0 :               0.00007600802125
                3s
                   +0 :               0.00001147152848
                2p
                   -1 :              -0.00002330881083
                   +0 :              -0.00006746637875
                   +1 :               0.00009229090802
                3p
                   -1 :               0.00000607362439
                   +0 :               0.00002720993059
                   +1 :              -0.00006055727061
                3d
                   -2 :               0.00000035296270
                   -1 :              -0.00000036899242
                   +0 :              -0.00000189354900
                   +1 :               0.00000531363216
                   +2 :               0.00000728472388
              9 vec=   -15.141493     -0.000150      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00001570107042
                2s
                   +0 :              -0.00008235733480
                3s
                   +0 :               0.00007778335732
                2p
                   -1 :               0.00002158543525
                   +0 :              -0.00002391757439
                   +1 :               0.00000023581243
                3p
                   -1 :              -0.00003311523130
                   +0 :               0.00001412584611
                   +1 :               0.00000420550984
                3d
                   -2 :               0.00000536629558
                   -1 :              -0.00000388634847
                   +0 :              -0.00000211894978
                   +1 :               0.00000505737038
                   +2 :              -0.00000245118997
             10 vec=    -7.361331     13.475487      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00000253858082
                2s
                   +0 :               0.00009002281987
                3s
                   +0 :               0.00001565499318
                2p
                   -1 :               0.00000736026556
                   +0 :               0.00007046801144
                   +1 :              -0.00004673532644
                3p
                   -1 :               0.00004714747924
                   +0 :               0.00000107451758
                   +1 :              -0.00001927200552
                3d
                   -2 :              -0.00000991006250
                   -1 :              -0.00000077561520
                   +0 :              -0.00000327345424
                   +1 :              -0.00000347763308
                   +2 :              -0.00000383691663
             11 vec=    -7.361331    -13.475787      8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00001980619754
                2s
                   +0 :              -0.00015720263519
                3s
                   +0 :               0.00004955146006
                2p
                   -1 :               0.00008095606630
                   +0 :               0.00000255035780
                   +1 :               0.00024208057299
                3p
                   -1 :              -0.00000610138425
                   +0 :              -0.00002575885058
                   +1 :              -0.00017802217877
                3d
                   -2 :               0.00000221679093
                   -1 :               0.00001797637642
                   +0 :               0.00000352353191
                   +1 :              -0.00000016982135
                   +2 :               0.00001670157418
             12 vec=     8.198995     13.475487      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00002551418933
                2s
                   +0 :               0.00019812312224
                3s
                   +0 :              -0.00004573353532
                2p
                   -1 :               0.00007094714066
                   +0 :               0.00006494226122
                   +1 :               0.00007331480042
                3p
                   -1 :              -0.00003610924936
                   +0 :              -0.00000512295242
                   +1 :               0.00000766349947
                3d
                   -2 :               0.00000196700749
                   -1 :              -0.00000186388397
                   +0 :               0.00000161793227
                   +1 :               0.00000390233189
                   +2 :               0.00000133238581
             13 vec=     8.198995    -13.475787      8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000921366848
                2s
                   +0 :              -0.00008360724999
                3s
                   +0 :              -0.00001445853877
                2p
                   -1 :              -0.00004876183825
                   +0 :               0.00008211140323
                   +1 :              -0.00007009900163
                3p
                   -1 :               0.00008765338771
                   +0 :              -0.00009758150899
                   +1 :               0.00003072493128
                3d
                   -2 :               0.00000288783150
                   -1 :               0.00000968764147
                   +0 :              -0.00000780321918
                   +1 :              -0.00000089801576
                   +2 :               0.00001119108237
             14 vec=    15.979157     -0.000150      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00000732121719
                2s
                   +0 :              -0.00007312856537
                3s
                   +0 :               0.00001459495643
                2p
                   -1 :              -0.00004675825816
                   +0 :              -0.00004572312004
                   +1 :              -0.00003838763838
                3p
                   -1 :               0.00002151034419
                   +0 :               0.00003076887337
                   +1 :               0.00000649400748
                3d
                   -2 :               0.00000089125862
                   -1 :               0.00000276604563
                   +0 :               0.00000354425833
                   +1 :              -0.00000158306482
                   +2 :              -0.00000039776219
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 21)  npairs=  15
              1 vec=    -4.977229     -0.362644      8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00010940268420
                2s
                   +0 :              -0.00144382119877
                3s
                   +0 :              -0.00001073795658
                2p
                   -1 :              -0.00340384964163
                   +0 :              -0.00134842907413
                   +1 :               0.00286943528743
                3p
                   -1 :               0.00211722499242
                   +0 :              -0.00088971125717
                   +1 :              -0.00079851455982
                3d
                   -2 :               0.00006031499710
                   -1 :               0.00013853131086
                   +0 :              -0.00003704028498
                   +1 :               0.00007640812415
                   +2 :              -0.00009577801003
              2 vec=     2.802933      4.129235      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00042868235534
                2s
                   +0 :               0.00412498959793
                3s
                   +0 :              -0.00080962245438
                2p
                   -1 :              -0.00088122158192
                   +0 :               0.00410863642422
                   +1 :               0.00319467385770
                3p
                   -1 :               0.00071054431088
                   +0 :              -0.00098451965332
                   +1 :              -0.00045240189088
                3d
                   -2 :               0.00003231552403
                   -1 :               0.00004060087283
                   +0 :              -0.00005187238309
                   +1 :               0.00017002809781
                   +2 :               0.00003104917337
              3 vec=     2.802933     -4.854523      8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00023858978961
                2s
                   +0 :              -0.00174298181123
                3s
                   +0 :               0.00031027011360
                2p
                   -1 :               0.00228590151605
                   +0 :               0.00019138843962
                   +1 :               0.00119267866165
                3p
                   -1 :              -0.00117500974302
                   +0 :              -0.00112851462604
                   +1 :              -0.00084045577405
                3d
                   -2 :              -0.00009643773428
                   -1 :               0.00000924662603
                   +0 :               0.00005646708643
                   +1 :               0.00007727470217
                   +2 :               0.00006602308455
              4 vec=    -4.977229      8.621114      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00013701607266
                2s
                   +0 :               0.00122308892211
                3s
                   +0 :              -0.00040219529948
                2p
                   -1 :               0.00078808267877
                   +0 :               0.00014978194788
                   +1 :              -0.00027024306080
                3p
                   -1 :              -0.00055753703989
                   +0 :              -0.00008115385010
                   +1 :               0.00011412288445
                3d
                   -2 :               0.00001514646119
                   -1 :              -0.00004236791360
                   +0 :              -0.00000070636208
                   +1 :               0.00000096949467
                   +2 :               0.00001222884467
              5 vec=    -4.977229     -9.346402      8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00003315339968
                2s
                   +0 :              -0.00046559860315
                3s
                   +0 :               0.00004983673582
                2p
                   -1 :               0.00009155562490
                   +0 :               0.00018396255519
                   +1 :               0.00003424070636
                3p
                   -1 :               0.00013560214018
                   +0 :              -0.00026039608455
                   +1 :               0.00007481765176
                3d
                   -2 :               0.00001159648946
                   -1 :              -0.00001502164948
                   +0 :               0.00003011935885
                   +1 :               0.00003789671972
                   +2 :               0.00001843555527
              6 vec=    10.583096     -0.362644      8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00001397499645
                2s
                   +0 :              -0.00021197314442
                3s
                   +0 :              -0.00003679275668
                2p
                   -1 :               0.00017099449473
                   +0 :              -0.00002129865778
                   +1 :              -0.00017906086918
                3p
                   -1 :              -0.00019429220736
                   +0 :               0.00008745371934
                   +1 :               0.00000447950569
                3d
                   -2 :               0.00001729478933
                   -1 :              -0.00000947382428
                   +0 :               0.00000797419534
                   +1 :              -0.00000952842249
                   +2 :              -0.00003271587238
              7 vec=   -12.757392      4.129235      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00000874598782
                2s
                   +0 :              -0.00000845115823
                3s
                   +0 :               0.00006257004332
                2p
                   -1 :              -0.00020220268092
                   +0 :              -0.00015164423776
                   +1 :               0.00002731961311
                3p
                   -1 :               0.00016849345809
                   +0 :               0.00012927545839
                   +1 :              -0.00008755777063
                3d
                   -2 :               0.00000981221993
                   -1 :              -0.00000160861952
                   +0 :               0.00000919774545
                   +1 :              -0.00000609393114
                   +2 :               0.00000441396682
              8 vec=     2.802933     13.112993      8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00002291004143
                2s
                   +0 :               0.00025420975292
                3s
                   +0 :              -0.00003338874471
                2p
                   -1 :               0.00026216086588
                   +0 :               0.00019062496641
                   +1 :               0.00008227315953
                3p
                   -1 :              -0.00013089617979
                   +0 :              -0.00011862069969
                   +1 :              -0.00004352266550
                3d
                   -2 :               0.00000327428614
                   -1 :              -0.00000507686030
                   +0 :              -0.00000904154897
                   +1 :              -0.00001028814790
                   +2 :               0.00000217996492
              9 vec=   -12.757392     -4.854523      8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00004175977475
                2s
                   +0 :               0.00029977684889
                3s
                   +0 :              -0.00011195685083
                2p
                   -1 :              -0.00003327523589
                   +0 :               0.00004084480119
                   +1 :              -0.00008849083165
                3p
                   -1 :               0.00001262334155
                   +0 :               0.00003096933448
                   +1 :               0.00004342799922
                3d
                   -2 :               0.00000370934735
                   -1 :              -0.00001234457305
                   +0 :              -0.00000477997717
                   +1 :              -0.00000612023581
                   +2 :               0.00000987726092
             10 vec=    10.583096      8.621114      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00004626753216
                2s
                   +0 :              -0.00029001768908
                3s
                   +0 :               0.00017199298528
                2p
                   -1 :              -0.00019698015303
                   +0 :              -0.00000449106728
                   +1 :              -0.00009319744536
                3p
                   -1 :               0.00016093313275
                   +0 :               0.00005524725574
                   +1 :               0.00008256576395
                3d
                   -2 :               0.00000596921284
                   -1 :              -0.00000497743687
                   +0 :               0.00000436833583
                   +1 :               0.00000590036143
                   +2 :              -0.00001204482254
             11 vec=     2.802933    -13.838281      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00001984602757
                2s
                   +0 :               0.00001238284265
                3s
                   +0 :              -0.00010356552903
                2p
                   -1 :               0.00015137258983
                   +0 :               0.00007363588509
                   +1 :               0.00018387261269
                3p
                   -1 :              -0.00002104897058
                   +0 :              -0.00011089529069
                   +1 :              -0.00017008618987
                3d
                   -2 :              -0.00000039173363
                   -1 :               0.00000563050998
                   +0 :              -0.00000441915250
                   +1 :              -0.00000901813730
                   +2 :              -0.00000192589015
             12 vec=    10.583096     -9.346402      8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00003823978306
                2s
                   +0 :              -0.00032369149010
                3s
                   +0 :               0.00008765951875
                2p
                   -1 :               0.00026457580868
                   +0 :              -0.00009861269465
                   +1 :              -0.00017862047094
                3p
                   -1 :              -0.00019315210406
                   +0 :               0.00000447773641
                   +1 :               0.00006487517080
                3d
                   -2 :              -0.00001152175171
                   -1 :              -0.00001135042898
                   +0 :              -0.00001446678121
                   +1 :               0.00000072621530
                   +2 :              -0.00000442388532
             13 vec=    -4.977229     -0.362644    -16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00000772496321
                2s
                   +0 :               0.00010037263163
                3s
                   +0 :              -0.00002616310240
                2p
                   -1 :              -0.00000923082262
                   +0 :              -0.00009169773389
                   +1 :              -0.00001332740096
                3p
                   -1 :               0.00000334699984
                   +0 :               0.00003692933124
                   +1 :              -0.00001868890195
                3d
                   -2 :              -0.00000440997969
                   -1 :              -0.00000068724071
                   +0 :              -0.00000584831583
                   +1 :              -0.00000111540813
                   +2 :              -0.00000215411295
             14 vec=     2.802933      4.129235    -16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00002321514687
                2s
                   +0 :               0.00017369085634
                3s
                   +0 :              -0.00006570613669
                2p
                   -1 :              -0.00003891166662
                   +0 :              -0.00005541056727
                   +1 :               0.00000006298320
                3p
                   -1 :               0.00001315927354
                   +0 :               0.00002867838937
                   +1 :              -0.00000745085172
                3d
                   -2 :              -0.00000213057387
                   -1 :               0.00000498969317
                   +0 :              -0.00000961063870
                   +1 :              -0.00000011816057
                   +2 :              -0.00000225351133
             15 vec=     2.802933     -4.854523    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00000026404650
                2s
                   +0 :               0.00005377873615
                3s
                   +0 :               0.00001589413091
                2p
                   -1 :              -0.00001729627035
                   +0 :              -0.00004325873177
                   +1 :               0.00000330633665
                3p
                   -1 :               0.00002162286641
                   +0 :               0.00003274842193
                   +1 :               0.00000547476487
                3d
                   -2 :               0.00000561037368
                   -1 :              -0.00000544823472
                   +0 :              -0.00000139065562
                   +1 :              -0.00000410551318
                   +2 :              -0.00000355663773
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 22)  npairs=  14
              1 vec=     0.419351      2.752474     -4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00208118007556
                2s
                   +0 :               0.04793487051820
                3s
                   +0 :              -0.00424958885550
                2p
                   -1 :               0.00809357136688
                   +0 :              -0.02774332626469
                   +1 :               0.00280720679680
                3p
                   -1 :              -0.00113264498240
                   +0 :               0.00347136978545
                   +1 :              -0.00292006433920
                3d
                   -2 :              -0.00028711538719
                   -1 :              -0.00008760176234
                   +0 :               0.00079980948859
                   +1 :               0.00044364951772
                   +2 :              -0.00032931185741
              2 vec=     0.419351     -6.231284     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00030718420108
                2s
                   +0 :              -0.00282536294892
                3s
                   +0 :               0.00073757728209
                2p
                   -1 :               0.00608402107857
                   +0 :              -0.00347549332017
                   +1 :               0.00188707145123
                3p
                   -1 :              -0.00261546951071
                   +0 :               0.00530429935574
                   +1 :              -0.00200578545748
                3d
                   -2 :              -0.00008370833318
                   -1 :               0.00043070839175
                   +0 :              -0.00049108599001
                   +1 :               0.00007098548806
                   +2 :              -0.00042960376927
              3 vec=    -7.360812     -1.739405     -4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00003555032884
                2s
                   +0 :               0.00100537736087
                3s
                   +0 :              -0.00045862254782
                2p
                   -1 :               0.00018713236676
                   +0 :              -0.00374645979504
                   +1 :               0.00004670494302
                3p
                   -1 :               0.00008161268860
                   +0 :               0.00229837802612
                   +1 :               0.00105920052940
                3d
                   -2 :              -0.00018425488478
                   -1 :              -0.00004198268936
                   +0 :               0.00010222436806
                   +1 :              -0.00033916047544
                   +2 :              -0.00007246382763
              4 vec=     8.199513     -1.739405     -4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00030715991977
                2s
                   +0 :               0.00207294329946
                3s
                   +0 :              -0.00097089078562
                2p
                   -1 :              -0.00125523532981
                   +0 :               0.00097427827409
                   +1 :               0.00206316538258
                3p
                   -1 :               0.00093268083412
                   +0 :              -0.00098502230725
                   +1 :              -0.00159490435937
                3d
                   -2 :               0.00004683541747
                   -1 :               0.00000822026725
                   +0 :               0.00004988591442
                   +1 :              -0.00004108479198
                   +2 :               0.00002201239770
              5 vec=    -7.360812      7.244353     -4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00068947254565
                2s
                   +0 :              -0.00598708659126
                3s
                   +0 :               0.00163924111987
                2p
                   -1 :              -0.00184431586359
                   +0 :              -0.00044546566896
                   +1 :               0.00310996961943
                3p
                   -1 :               0.00041363598582
                   +0 :              -0.00014292544357
                   +1 :              -0.00208016321473
                3d
                   -2 :               0.00007432826143
                   -1 :              -0.00002808039386
                   +0 :               0.00010167540780
                   +1 :               0.00000555345970
                   +2 :               0.00016327475437
              6 vec=     8.199513      7.244353     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00001818737383
                2s
                   +0 :              -0.00005453284971
                3s
                   +0 :              -0.00014162369376
                2p
                   -1 :               0.00066699164834
                   +0 :              -0.00006119477208
                   +1 :              -0.00051206425562
                3p
                   -1 :              -0.00096664030474
                   +0 :              -0.00041465079115
                   +1 :               0.00048903517183
                3d
                   -2 :              -0.00010444951032
                   -1 :              -0.00000944281232
                   +0 :               0.00003485704166
                   +1 :              -0.00002777973992
                   +2 :               0.00003742358826
              7 vec=     0.419351     11.736232     -4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00004386646626
                2s
                   +0 :               0.00077276343650
                3s
                   +0 :              -0.00006265026842
                2p
                   -1 :               0.00086307240870
                   +0 :              -0.00053853152484
                   +1 :              -0.00020765955342
                3p
                   -1 :              -0.00059807108125
                   +0 :               0.00042758241295
                   +1 :               0.00009462941832
                3d
                   -2 :              -0.00001212554027
                   -1 :               0.00006012536477
                   +0 :              -0.00000232472262
                   +1 :               0.00000650876156
                   +2 :               0.00000803248839
              8 vec=    -7.360812    -10.723163     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00002446408944
                2s
                   +0 :              -0.00016047319219
                3s
                   +0 :              -0.00004910097075
                2p
                   -1 :               0.00026697815170
                   +0 :               0.00069903134472
                   +1 :               0.00010547318851
                3p
                   -1 :              -0.00018073575187
                   +0 :              -0.00015099464860
                   +1 :               0.00006570641683
                3d
                   -2 :               0.00000683491791
                   -1 :               0.00000059745384
                   +0 :              -0.00001075770322
                   +1 :              -0.00000492642229
                   +2 :               0.00000267570643
              9 vec=     8.199513    -10.723163     -4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00007426026706
                2s
                   +0 :              -0.00073134668344
                3s
                   +0 :               0.00015839505504
                2p
                   -1 :               0.00010078614003
                   +0 :               0.00008641025420
                   +1 :              -0.00031587105570
                3p
                   -1 :              -0.00003288134573
                   +0 :               0.00010854828665
                   +1 :               0.00007246285932
                3d
                   -2 :              -0.00002703808870
                   -1 :               0.00001038033495
                   +0 :              -0.00001293346425
                   +1 :              -0.00000195312144
                   +2 :               0.00000226671745
             10 vec=     0.419351    -15.215042     -4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00001930780319
                2s
                   +0 :               0.00011380061606
                3s
                   +0 :              -0.00007044181640
                2p
                   -1 :               0.00008003122079
                   +0 :              -0.00005273657182
                   +1 :               0.00004856476270
                3p
                   -1 :              -0.00001550252793
                   +0 :               0.00011402311556
                   +1 :               0.00004668234372
                3d
                   -2 :              -0.00002777105045
                   -1 :               0.00000411227343
                   +0 :              -0.00000453543096
                   +1 :               0.00000751811142
                   +2 :               0.00001781372349
             11 vec=   -15.140975      2.752474     -4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00004885120660
                2s
                   +0 :              -0.00040687017789
                3s
                   +0 :               0.00014185572941
                2p
                   -1 :              -0.00010117833326
                   +0 :              -0.00005781436774
                   +1 :               0.00027475184444
                3p
                   -1 :               0.00008489141268
                   +0 :               0.00000795665831
                   +1 :              -0.00021805174425
                3d
                   -2 :              -0.00000638620254
                   -1 :               0.00000330052506
                   +0 :              -0.00000224835703
                   +1 :              -0.00000370156262
                   +2 :               0.00000776371045
             12 vec=    15.979676      2.752474     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00001326708128
                2s
                   +0 :               0.00011469258773
                3s
                   +0 :              -0.00002824308318
                2p
                   -1 :               0.00008709964763
                   +0 :              -0.00005214053922
                   +1 :               0.00022138003063
                3p
                   -1 :              -0.00002668656777
                   +0 :               0.00004429969364
                   +1 :              -0.00010371064944
                3d
                   -2 :              -0.00000029226871
                   -1 :               0.00000762577788
                   +0 :              -0.00000146876799
                   +1 :               0.00000861182018
                   +2 :               0.00000236250136
             13 vec=   -15.140975     -6.231284     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00001135906190
                2s
                   +0 :              -0.00007876142743
                3s
                   +0 :               0.00003799020674
                2p
                   -1 :               0.00001099994311
                   +0 :               0.00008092094196
                   +1 :               0.00010320510662
                3p
                   -1 :               0.00001254518003
                   +0 :              -0.00005946656153
                   +1 :              -0.00006502021555
                3d
                   -2 :               0.00000062582478
                   -1 :               0.00000045525562
                   +0 :              -0.00000117681993
                   +1 :               0.00000397713218
                   +2 :               0.00000036365780
             14 vec=    15.979676     -6.231284     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00001263041563
                2s
                   +0 :              -0.00009419677008
                3s
                   +0 :               0.00003559337535
                2p
                   -1 :               0.00002898035307
                   +0 :               0.00002741116281
                   +1 :              -0.00006646908295
                3p
                   -1 :              -0.00003489234046
                   +0 :               0.00000397568306
                   +1 :               0.00004372104600
                3d
                   -2 :              -0.00000442923963
                   -1 :              -0.00000175049225
                   +0 :              -0.00000494359100
                   +1 :              -0.00000167551834
                   +2 :               0.00000102411950
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 23)  npairs=  14
              1 vec=    -2.593647     -1.739405     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00151985013033
                2s
                   +0 :              -0.02472034382649
                3s
                   +0 :               0.00276117432583
                2p
                   -1 :              -0.00098782557021
                   +0 :               0.00820701288970
                   +1 :               0.00928242858236
                3p
                   -1 :               0.00167417082359
                   +0 :               0.00388255972748
                   +1 :              -0.00102413605137
                3d
                   -2 :               0.00105284495110
                   -1 :               0.00175950392726
                   +0 :              -0.00089156271528
                   +1 :              -0.00140171961836
                   +2 :              -0.00084473071192
              2 vec=     5.186516      2.752474     -4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00103311758043
                2s
                   +0 :               0.00852109817064
                3s
                   +0 :              -0.00347599585054
                2p
                   -1 :               0.00507921328237
                   +0 :              -0.00527820055526
                   +1 :               0.00304641772797
                3p
                   -1 :              -0.00407398415804
                   +0 :               0.00334574357017
                   +1 :              -0.00130853608201
                3d
                   -2 :              -0.00024677650056
                   -1 :               0.00067177497412
                   +0 :              -0.00026598064170
                   +1 :               0.00049936888293
                   +2 :               0.00005750054114
              3 vec=    -2.593647      7.244353     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00008753093238
                2s
                   +0 :               0.00036170690347
                3s
                   +0 :               0.00011075731382
                2p
                   -1 :               0.00254334101086
                   +0 :              -0.00438602503198
                   +1 :              -0.00393660895810
                3p
                   -1 :              -0.00034308578140
                   +0 :               0.00106925310723
                   +1 :               0.00265547179009
                3d
                   -2 :               0.00004537981337
                   -1 :              -0.00000900312607
                   +0 :               0.00008325571191
                   +1 :              -0.00002501832918
                   +2 :               0.00002664227454
              4 vec=     5.186516     -6.231284     -4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00029766939424
                2s
                   +0 :              -0.00241657717871
                3s
                   +0 :               0.00053155927080
                2p
                   -1 :              -0.00144799604129
                   +0 :               0.00218026403128
                   +1 :              -0.00168484605471
                3p
                   -1 :               0.00123722302084
                   +0 :              -0.00011487772902
                   +1 :               0.00079319757756
                3d
                   -2 :               0.00011114712056
                   -1 :              -0.00012631020304
                   +0 :               0.00009253683637
                   +1 :               0.00025888997019
                   +2 :               0.00004872555543
              5 vec=   -10.373810      2.752474     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00013194564781
                2s
                   +0 :              -0.00080546013908
                3s
                   +0 :               0.00023533551445
                2p
                   -1 :              -0.00039485343731
                   +0 :              -0.00010188148669
                   +1 :              -0.00066588800833
                3p
                   -1 :               0.00056171681508
                   +0 :               0.00008426944528
                   +1 :               0.00056803276159
                3d
                   -2 :              -0.00005218122589
                   -1 :               0.00003659784502
                   +0 :               0.00008731913960
                   +1 :              -0.00003684445504
                   +2 :              -0.00006254653614
              6 vec=    -2.593647    -10.723163     -4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00015967461338
                2s
                   +0 :               0.00144193371928
                3s
                   +0 :              -0.00061911452145
                2p
                   -1 :              -0.00191885232008
                   +0 :              -0.00029507411055
                   +1 :              -0.00043757637273
                3p
                   -1 :               0.00120850900225
                   +0 :               0.00087159443176
                   +1 :              -0.00005817844564
                3d
                   -2 :               0.00008170736308
                   -1 :              -0.00026592769189
                   +0 :              -0.00004965144261
                   +1 :               0.00006213260834
                   +2 :               0.00005699071524
              7 vec=   -10.373810     -6.231284     -4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00002083923735
                2s
                   +0 :               0.00003163095478
                3s
                   +0 :              -0.00005096120363
                2p
                   -1 :               0.00029623519642
                   +0 :               0.00004743460588
                   +1 :              -0.00017568878346
                3p
                   -1 :              -0.00005582857942
                   +0 :              -0.00012527492901
                   +1 :               0.00011884504677
                3d
                   -2 :              -0.00002411990241
                   -1 :              -0.00002620614513
                   +0 :               0.00002011608188
                   +1 :               0.00001395963488
                   +2 :              -0.00000497663800
              8 vec=     5.186516     11.736232     -4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00002083699140
                2s
                   +0 :               0.00058204381525
                3s
                   +0 :               0.00009370668739
                2p
                   -1 :               0.00021696669130
                   +0 :              -0.00022209372170
                   +1 :               0.00006542125506
                3p
                   -1 :               0.00022684590381
                   +0 :              -0.00012421994410
                   +1 :               0.00001049912290
                3d
                   -2 :              -0.00001031725418
                   -1 :              -0.00002486453880
                   +0 :               0.00001452284597
                   +1 :               0.00002866539759
                   +2 :              -0.00001574500440
              9 vec=    12.966678     -1.739405     -4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00005042230603
                2s
                   +0 :              -0.00029499642766
                3s
                   +0 :               0.00014831991864
                2p
                   -1 :              -0.00022519015415
                   +0 :               0.00009500602130
                   +1 :               0.00001215737722
                3p
                   -1 :               0.00018251426109
                   +0 :              -0.00002660959477
                   +1 :               0.00004189789871
                3d
                   -2 :               0.00002334965724
                   -1 :              -0.00000423735467
                   +0 :              -0.00000208924200
                   +1 :              -0.00002276244973
                   +2 :               0.00000367697931
             10 vec=    12.966678      7.244353     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00000405654927
                2s
                   +0 :              -0.00005551572555
                3s
                   +0 :              -0.00002631706410
                2p
                   -1 :              -0.00009549927963
                   +0 :              -0.00011670466717
                   +1 :               0.00001903437694
                3p
                   -1 :               0.00014792127292
                   +0 :               0.00010191839013
                   +1 :              -0.00008419189331
                3d
                   -2 :               0.00001574385228
                   -1 :               0.00001522804479
                   +0 :               0.00002065516795
                   +1 :              -0.00000233365032
                   +2 :              -0.00002004993473
             11 vec=   -10.373810     11.736232     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00003687143431
                2s
                   +0 :              -0.00055296876241
                3s
                   +0 :              -0.00000710994904
                2p
                   -1 :              -0.00039062085557
                   +0 :               0.00005778995660
                   +1 :               0.00032401069622
                3p
                   -1 :              -0.00007138963241
                   +0 :              -0.00010040539285
                   +1 :              -0.00002742684417
                3d
                   -2 :               0.00005560645251
                   -1 :               0.00000976852379
                   +0 :               0.00001089931560
                   +1 :               0.00000399363100
                   +2 :               0.00001582125109
             12 vec=     5.186516    -15.215042     -4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00003211837677
                2s
                   +0 :              -0.00021959111594
                3s
                   +0 :               0.00014410275225
                2p
                   -1 :               0.00003800851929
                   +0 :               0.00011202210860
                   +1 :               0.00004510873138
                3p
                   -1 :              -0.00007593664004
                   +0 :               0.00004410770507
                   +1 :               0.00000147898148
                3d
                   -2 :               0.00000778072031
                   -1 :               0.00002535182277
                   +0 :              -0.00001893866286
                   +1 :               0.00000412851905
                   +2 :              -0.00004337370581
             13 vec=    -2.593647     16.228111     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00001296253070
                2s
                   +0 :               0.00005249477409
                3s
                   +0 :              -0.00000242847017
                2p
                   -1 :              -0.00005386487129
                   +0 :               0.00005270041625
                   +1 :              -0.00010683372436
                3p
                   -1 :               0.00011174629817
                   +0 :              -0.00005386697895
                   +1 :               0.00002853615568
                3d
                   -2 :              -0.00001360231555
                   -1 :              -0.00000691282604
                   +0 :              -0.00000363013377
                   +1 :               0.00000198802557
                   +2 :              -0.00000420385654
             14 vec=    12.966678    -10.723163     -4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00001993917295
                2s
                   +0 :              -0.00016661461074
                3s
                   +0 :               0.00005347798466
                2p
                   -1 :              -0.00000017679284
                   +0 :               0.00002183774806
                   +1 :              -0.00011200655075
                3p
                   -1 :               0.00001292674035
                   +0 :              -0.00002936969001
                   +1 :               0.00004579334548
                3d
                   -2 :               0.00000236071892
                   -1 :              -0.00000256684702
                   +0 :               0.00000372686349
                   +1 :              -0.00000127656810
                   +2 :              -0.00000290156314
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 24)  npairs=  14
              1 vec=     2.802933     -1.376012     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00232402149070
                2s
                   +0 :              -0.02703416266552
                3s
                   +0 :               0.00605110023069
                2p
                   -1 :               0.00233902099208
                   +0 :               0.01368551866383
                   +1 :              -0.01237928204430
                3p
                   -1 :              -0.00648251729172
                   +0 :              -0.00222915474255
                   +1 :               0.00342206681320
                3d
                   -2 :              -0.00046408500760
                   -1 :               0.00134755762518
                   +0 :              -0.00056286271428
                   +1 :               0.00108172444475
                   +2 :              -0.00059519946368
              2 vec=    -4.977229      3.115867     -4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00044442241116
                2s
                   +0 :              -0.00043561899301
                3s
                   +0 :               0.00079398771159
                2p
                   -1 :               0.00091888488460
                   +0 :              -0.00196649781081
                   +1 :               0.00240586124494
                3p
                   -1 :              -0.00447132702782
                   +0 :              -0.00213248431098
                   +1 :              -0.00398968374840
                3d
                   -2 :               0.00101276732523
                   -1 :               0.00009014701697
                   +0 :               0.00068776426322
                   +1 :               0.00072729910273
                   +2 :               0.00113580921431
              3 vec=    -4.977229     -5.867891     -4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00001527900748
                2s
                   +0 :               0.00076729381025
                3s
                   +0 :              -0.00001051168700
                2p
                   -1 :              -0.00060476065299
                   +0 :               0.00161858874880
                   +1 :               0.00119422083855
                3p
                   -1 :              -0.00025444283328
                   +0 :              -0.00039066418546
                   +1 :              -0.00090792587993
                3d
                   -2 :               0.00002898929729
                   -1 :              -0.00009475059344
                   +0 :              -0.00007008498279
                   +1 :              -0.00009069115329
                   +2 :              -0.00006603644931
              4 vec=     2.802933      7.607746     -4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00024776752496
                2s
                   +0 :               0.00186727865942
                3s
                   +0 :              -0.00054575344539
                2p
                   -1 :               0.00111720479382
                   +0 :              -0.00211951076645
                   +1 :              -0.00024550922662
                3p
                   -1 :              -0.00047560159010
                   +0 :               0.00150348926059
                   +1 :               0.00002378590592
                3d
                   -2 :               0.00007155210745
                   -1 :               0.00009833936636
                   +0 :               0.00002125319601
                   +1 :               0.00002598519085
                   +2 :              -0.00006160227292
              5 vec=     2.802933    -10.359770     -4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00005610012069
                2s
                   +0 :              -0.00083103522209
                3s
                   +0 :               0.00020774796821
                2p
                   -1 :               0.00196464535399
                   +0 :              -0.00014129993987
                   +1 :              -0.00040179025883
                3p
                   -1 :              -0.00117700894908
                   +0 :               0.00037316528012
                   +1 :               0.00015658146105
                3d
                   -2 :               0.00003992329188
                   -1 :              -0.00003262450815
                   +0 :              -0.00001956671401
                   +1 :               0.00006436619456
                   +2 :              -0.00008357434557
              6 vec=    10.583096      3.115867     -4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00005618335761
                2s
                   +0 :              -0.00001964511946
                3s
                   +0 :               0.00015600887597
                2p
                   -1 :              -0.00027038582336
                   +0 :              -0.00081103938104
                   +1 :              -0.00010029915568
                3p
                   -1 :               0.00005930485439
                   +0 :               0.00074134538246
                   +1 :               0.00031299072959
                3d
                   -2 :               0.00000380608906
                   -1 :               0.00006427784448
                   +0 :               0.00006944004701
                   +1 :               0.00001383945024
                   +2 :               0.00003083486012
              7 vec=    10.583096     -5.867891     -4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00002970311770
                2s
                   +0 :              -0.00045658514549
                3s
                   +0 :               0.00008577005968
                2p
                   -1 :              -0.00001937449358
                   +0 :               0.00053651461645
                   +1 :              -0.00005820344491
                3p
                   -1 :               0.00000395473851
                   +0 :              -0.00034292810585
                   +1 :              -0.00005515881531
                3d
                   -2 :              -0.00000654436029
                   -1 :               0.00001005002074
                   +0 :              -0.00001429279868
                   +1 :              -0.00002920671433
                   +2 :              -0.00001270174551
              8 vec=   -12.757392     -1.376012     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00005624857884
                2s
                   +0 :              -0.00043095595383
                3s
                   +0 :               0.00014697000861
                2p
                   -1 :               0.00001987177066
                   +0 :               0.00007331406599
                   +1 :              -0.00003985395986
                3p
                   -1 :               0.00008597524101
                   +0 :              -0.00011475550263
                   +1 :               0.00004919024343
                3d
                   -2 :              -0.00003666456888
                   -1 :               0.00002354568936
                   +0 :              -0.00002529770760
                   +1 :               0.00002148719187
                   +2 :              -0.00001404083622
              9 vec=    -4.977229     12.099625     -4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00005881187452
                2s
                   +0 :              -0.00016770211486
                3s
                   +0 :               0.00019878790927
                2p
                   -1 :              -0.00039934991181
                   +0 :              -0.00045012582766
                   +1 :              -0.00070725652737
                3p
                   -1 :               0.00039540764131
                   +0 :               0.00015128595819
                   +1 :               0.00030853987544
                3d
                   -2 :              -0.00002365579786
                   -1 :              -0.00000380370450
                   +0 :              -0.00000101244750
                   +1 :              -0.00002184072807
                   +2 :              -0.00004244447862
             10 vec=   -12.757392      7.607746     -4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00003457210971
                2s
                   +0 :              -0.00031673781486
                3s
                   +0 :               0.00005224736186
                2p
                   -1 :               0.00000900313277
                   +0 :              -0.00006836255021
                   +1 :               0.00020230925155
                3p
                   -1 :               0.00001768126979
                   +0 :              -0.00002306942296
                   +1 :               0.00001645111423
                3d
                   -2 :              -0.00001291043107
                   -1 :              -0.00002528032660
                   +0 :               0.00003468578470
                   +1 :               0.00002429243196
                   +2 :              -0.00003125067531
             11 vec=    -4.977229    -14.851649     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00004294144746
                2s
                   +0 :               0.00043477163911
                3s
                   +0 :              -0.00006030008386
                2p
                   -1 :              -0.00042483976935
                   +0 :              -0.00011410670893
                   +1 :               0.00000224181234
                3p
                   -1 :               0.00018616909229
                   +0 :               0.00017113594617
                   +1 :              -0.00004589656750
                3d
                   -2 :               0.00002338164814
                   -1 :              -0.00001077653928
                   +0 :              -0.00000224992270
                   +1 :              -0.00000259555397
                   +2 :              -0.00000714019280
             12 vec=    10.583096     12.099625     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00002897001961
                2s
                   +0 :              -0.00025339781238
                3s
                   +0 :               0.00008512996240
                2p
                   -1 :              -0.00027155677805
                   +0 :               0.00001558056672
                   +1 :               0.00002184206078
                3p
                   -1 :               0.00015468315203
                   +0 :              -0.00006946918727
                   +1 :               0.00002722754800
                3d
                   -2 :              -0.00000495047586
                   -1 :              -0.00000598546867
                   +0 :              -0.00000457052686
                   +1 :              -0.00000386432829
                   +2 :               0.00000551714335
             13 vec=   -12.757392    -10.359770     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00000841053271
                2s
                   +0 :              -0.00006135637123
                3s
                   +0 :               0.00001176377818
                2p
                   -1 :               0.00007852304782
                   +0 :               0.00006383413921
                   +1 :              -0.00004158881550
                3p
                   -1 :              -0.00001242216384
                   +0 :              -0.00003704233431
                   +1 :               0.00005078138825
                3d
                   -2 :              -0.00001085434453
                   -1 :               0.00000240917844
                   +0 :              -0.00000281813481
                   +1 :               0.00000191154708
                   +2 :              -0.00000211646405
             14 vec=     2.802933     16.591504     -4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00002485163027
                2s
                   +0 :               0.00020737818144
                3s
                   +0 :              -0.00004455564073
                2p
                   -1 :              -0.00004499123522
                   +0 :              -0.00001584396496
                   +1 :               0.00000480144199
                3p
                   -1 :               0.00012241307296
                   +0 :              -0.00002737003945
                   +1 :              -0.00000914961881
                3d
                   -2 :               0.00000325693339
                   -1 :              -0.00000220176002
                   +0 :               0.00000089511391
                   +1 :               0.00000085109484
                   +2 :              -0.00000652634149
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 25)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00005705567163
                2s
                   +0 :               0.00018400826706
                3s
                   +0 :              -0.00035875165339
                2p
                   -1 :              -0.00225653156068
                   +0 :               0.00088532382883
                   +1 :               0.00195232852072
                3p
                   -1 :               0.00202171446430
                   +0 :              -0.00061049832822
                   +1 :              -0.00123774767598
                3d
                   -2 :               0.00015648793404
                   -1 :              -0.00016070122715
                   +0 :               0.00009158569215
                   +1 :               0.00000777028754
                   +2 :               0.00003244958064
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00019439227585
                2s
                   +0 :               0.00258003758277
                3s
                   +0 :               0.00007921846989
                2p
                   -1 :               0.00126425954582
                   +0 :              -0.00314659059729
                   +1 :               0.00163171241732
                3p
                   -1 :              -0.00023524880545
                   +0 :               0.00032633677969
                   +1 :              -0.00014421199594
                3d
                   -2 :               0.00000315174898
                   -1 :              -0.00009921863499
                   +0 :               0.00010067895095
                   +1 :              -0.00014096189192
                   +2 :              -0.00004586185662
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00024886667268
                2s
                   +0 :              -0.00163346349067
                3s
                   +0 :               0.00046061613335
                2p
                   -1 :              -0.00188030710191
                   +0 :               0.00095250706281
                   +1 :               0.00084054843928
                3p
                   -1 :               0.00120549111007
                   +0 :               0.00036288055237
                   +1 :               0.00053788328907
                3d
                   -2 :              -0.00007105508222
                   -1 :              -0.00011940030840
                   +0 :              -0.00013790389776
                   +1 :              -0.00010028571028
                   +2 :              -0.00000238242444
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00003583256479
                2s
                   +0 :              -0.00029225014610
                3s
                   +0 :               0.00009973150706
                2p
                   -1 :               0.00050823279213
                   +0 :               0.00003633606042
                   +1 :              -0.00003165352171
                3p
                   -1 :              -0.00048069538026
                   +0 :              -0.00013746923185
                   +1 :              -0.00009611637980
                3d
                   -2 :              -0.00003799151462
                   -1 :               0.00004228709939
                   +0 :              -0.00001250173232
                   +1 :              -0.00000017417913
                   +2 :              -0.00004537758107
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000982387703
                2s
                   +0 :              -0.00004825850091
                3s
                   +0 :               0.00010379295294
                2p
                   -1 :               0.00006990391169
                   +0 :              -0.00002663458935
                   +1 :               0.00016826574624
                3p
                   -1 :              -0.00013608562021
                   +0 :               0.00003141423261
                   +1 :              -0.00026316179481
                3d
                   -2 :               0.00001468756291
                   -1 :              -0.00000525107634
                   +0 :              -0.00001207039642
                   +1 :              -0.00000716608758
                   +2 :              -0.00000411908192
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00000677789414
                2s
                   +0 :               0.00014508849524
                3s
                   +0 :               0.00004216156914
                2p
                   -1 :              -0.00001559896820
                   +0 :               0.00037807075446
                   +1 :              -0.00011479221522
                3p
                   -1 :              -0.00002446005013
                   +0 :              -0.00038587460085
                   +1 :              -0.00025598994935
                3d
                   -2 :              -0.00002492105515
                   -1 :              -0.00002791038739
                   +0 :               0.00008095422630
                   +1 :               0.00003564905042
                   +2 :               0.00001676434912
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00001167715937
                2s
                   +0 :              -0.00015617136647
                3s
                   +0 :               0.00002728279687
                2p
                   -1 :              -0.00003077092913
                   +0 :               0.00008186990581
                   +1 :              -0.00006140297189
                3p
                   -1 :               0.00002157934101
                   +0 :               0.00000694276147
                   +1 :               0.00001301707127
                3d
                   -2 :              -0.00000238280669
                   -1 :              -0.00000511319387
                   +0 :              -0.00000085383946
                   +1 :               0.00000540958123
                   +2 :               0.00000282920260
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00002771904668
                2s
                   +0 :               0.00016151367742
                3s
                   +0 :              -0.00009303473157
                2p
                   -1 :              -0.00024622921417
                   +0 :               0.00027030570978
                   +1 :               0.00031297871733
                3p
                   -1 :               0.00024273144731
                   +0 :              -0.00014753375783
                   +1 :              -0.00024977889068
                3d
                   -2 :               0.00002216435058
                   -1 :              -0.00000090517350
                   +0 :              -0.00000673769580
                   +1 :              -0.00001028126508
                   +2 :              -0.00000440200149
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00000459485945
                2s
                   +0 :               0.00004124536738
                3s
                   +0 :              -0.00002466200859
                2p
                   -1 :               0.00015309156767
                   +0 :              -0.00001712871722
                   +1 :               0.00021800360261
                3p
                   -1 :              -0.00007112653742
                   +0 :               0.00006480774664
                   +1 :              -0.00012901849855
                3d
                   -2 :              -0.00001428638094
                   -1 :               0.00000857659052
                   +0 :              -0.00001061250126
                   +1 :              -0.00000000600849
                   +2 :               0.00000581909835
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00003223668413
                2s
                   +0 :               0.00025355563053
                3s
                   +0 :              -0.00003696617367
                2p
                   -1 :               0.00028163239564
                   +0 :              -0.00002030981899
                   +1 :              -0.00013734630583
                3p
                   -1 :              -0.00014313629006
                   +0 :              -0.00005494238275
                   +1 :               0.00008797708827
                3d
                   -2 :              -0.00000134563418
                   -1 :               0.00000011932378
                   +0 :               0.00000844897408
                   +1 :              -0.00000437562504
                   +2 :               0.00000524933042
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000385236435
                2s
                   +0 :              -0.00003545597279
                3s
                   +0 :               0.00000362311309
                2p
                   -1 :               0.00003455206280
                   +0 :               0.00001755196338
                   +1 :               0.00009801804503
                3p
                   -1 :               0.00000482832654
                   +0 :              -0.00002748030258
                   +1 :              -0.00008267293195
                3d
                   -2 :              -0.00000862928315
                   -1 :               0.00000487659921
                   +0 :               0.00000202773681
                   +1 :              -0.00000394341012
                   +2 :              -0.00000006976647
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00005428982739
                2s
                   +0 :              -0.00041962833610
                3s
                   +0 :               0.00012669591451
                2p
                   -1 :              -0.00005922578765
                   +0 :               0.00001212595235
                   +1 :              -0.00005192686926
                3p
                   -1 :               0.00003584996712
                   +0 :              -0.00000009618743
                   +1 :               0.00009365946777
                3d
                   -2 :               0.00000744737960
                   -1 :              -0.00000865182641
                   +0 :               0.00000822361212
                   +1 :              -0.00000253996528
                   +2 :              -0.00000115515464
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000621332159
                2s
                   +0 :               0.00000282821342
                3s
                   +0 :              -0.00002903904609
                2p
                   -1 :              -0.00004916245176
                   +0 :              -0.00001183975723
                   +1 :              -0.00005369665965
                3p
                   -1 :               0.00002163342256
                   +0 :              -0.00005465561643
                   +1 :               0.00002975929967
                3d
                   -2 :               0.00000404730799
                   -1 :               0.00000108624171
                   +0 :              -0.00000005389457
                   +1 :              -0.00000308836342
                   +2 :              -0.00000151823660
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00000497029659
                2s
                   +0 :              -0.00003891961022
                3s
                   +0 :               0.00000847497485
                2p
                   -1 :              -0.00000473416903
                   +0 :              -0.00002141748262
                   +1 :              -0.00004348598466
                3p
                   -1 :              -0.00001967076667
                   +0 :              -0.00000291787096
                   +1 :               0.00001133448412
                3d
                   -2 :              -0.00000081374258
                   -1 :              -0.00000051034170
                   +0 :              -0.00000321276496
                   +1 :              -0.00000161161484
                   +2 :              -0.00000150455651
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001568963635
                2s
                   +0 :               0.00014072118120
                3s
                   +0 :              -0.00004085100743
                2p
                   -1 :              -0.00010938817918
                   +0 :               0.00008840599835
                   +1 :               0.00006760631171
                3p
                   -1 :               0.00003999658593
                   +0 :              -0.00001383871679
                   +1 :              -0.00005911800876
                3d
                   -2 :               0.00000220243542
                   -1 :              -0.00000328849471
                   +0 :               0.00000984638399
                   +1 :              -0.00000586839302
                   +2 :              -0.00000571949910
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 26)  npairs=  15
              1 vec=    -2.174037     -4.491729     -8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00025929880284
                2s
                   +0 :               0.00235828268300
                3s
                   +0 :              -0.00058564669446
                2p
                   -1 :               0.00022303988606
                   +0 :               0.00033569072354
                   +1 :              -0.00161307544995
                3p
                   -1 :              -0.00016904906969
                   +0 :              -0.00022546333726
                   +1 :               0.00117214573907
                3d
                   -2 :              -0.00010182990327
                   -1 :               0.00002045097510
                   +0 :               0.00019135109945
                   +1 :              -0.00001753050975
                   +2 :              -0.00016392850241
              2 vec=    -2.174037      4.492029     -8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00007162906561
                2s
                   +0 :               0.00093220469062
                3s
                   +0 :               0.00000194935839
                2p
                   -1 :               0.00001252845778
                   +0 :              -0.00208407574459
                   +1 :              -0.00176837072066
                3p
                   -1 :               0.00024784654046
                   +0 :               0.00026150898681
                   +1 :               0.00014060752138
                3d
                   -2 :              -0.00005041107756
                   -1 :              -0.00002958721681
                   +0 :              -0.00001715843692
                   +1 :              -0.00000253023674
                   +2 :              -0.00000959345888
              3 vec=     5.606126      0.000150     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00010556767692
                2s
                   +0 :              -0.00130404007161
                3s
                   +0 :               0.00009587927051
                2p
                   -1 :              -0.00001270803307
                   +0 :               0.00150690533913
                   +1 :              -0.00195808254965
                3p
                   -1 :              -0.00065066369323
                   +0 :              -0.00043003291231
                   +1 :               0.00101287937982
                3d
                   -2 :              -0.00002362181828
                   -1 :               0.00005017023768
                   +0 :              -0.00015131657200
                   +1 :              -0.00001452130902
                   +2 :              -0.00002955501937
              4 vec=    -9.954199      0.000150     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00006329914065
                2s
                   +0 :              -0.00044445670124
                3s
                   +0 :               0.00017086567619
                2p
                   -1 :               0.00049549158161
                   +0 :              -0.00071561232879
                   +1 :               0.00058671715699
                3p
                   -1 :              -0.00032161230356
                   +0 :               0.00028092427927
                   +1 :              -0.00053283986965
                3d
                   -2 :               0.00001545275886
                   -1 :               0.00001511082725
                   +0 :               0.00004560597457
                   +1 :               0.00000263435825
                   +2 :               0.00001094816026
              5 vec=     5.606126     -8.983608     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00003960511543
                2s
                   +0 :              -0.00064061555265
                3s
                   +0 :               0.00016066723995
                2p
                   -1 :               0.00006170817304
                   +0 :               0.00044269399472
                   +1 :              -0.00005904131055
                3p
                   -1 :               0.00017773774755
                   +0 :              -0.00010694868058
                   +1 :               0.00000576216434
                3d
                   -2 :              -0.00002793487892
                   -1 :               0.00002012333352
                   +0 :               0.00000235155028
                   +1 :              -0.00001922345987
                   +2 :               0.00003122807774
              6 vec=     5.606126      8.983908     -8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00000885276673
                2s
                   +0 :               0.00028909953279
                3s
                   +0 :               0.00007599595155
                2p
                   -1 :              -0.00000036856410
                   +0 :               0.00008297951892
                   +1 :              -0.00002933741014
                3p
                   -1 :               0.00014599927372
                   +0 :              -0.00004462845812
                   +1 :               0.00021413330897
                3d
                   -2 :               0.00001143970115
                   -1 :               0.00000585421022
                   +0 :               0.00000015175854
                   +1 :               0.00000785727707
                   +2 :               0.00002573169837
              7 vec=    -9.954199     -8.983608     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00000272429580
                2s
                   +0 :               0.00003421476630
                3s
                   +0 :               0.00000798034774
                2p
                   -1 :              -0.00003430401537
                   +0 :               0.00009465961521
                   +1 :               0.00008856052685
                3p
                   -1 :              -0.00001357626788
                   +0 :              -0.00002338966689
                   +1 :              -0.00009393221181
                3d
                   -2 :               0.00000135342523
                   -1 :              -0.00000387162048
                   +0 :              -0.00000857208884
                   +1 :               0.00000725600057
                   +2 :               0.00000522468324
              8 vec=    -9.954199      8.983908     -8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00000373736386
                2s
                   +0 :              -0.00021100147270
                3s
                   +0 :              -0.00007427461123
                2p
                   -1 :              -0.00003568660826
                   +0 :               0.00020807352998
                   +1 :              -0.00016738311252
                3p
                   -1 :               0.00004422812336
                   +0 :               0.00003299444259
                   +1 :               0.00017492559919
                3d
                   -2 :              -0.00001398956585
                   -1 :              -0.00000585965602
                   +0 :              -0.00003747391535
                   +1 :              -0.00003141803940
                   +2 :              -0.00000804929807
              9 vec=    -2.174037    -13.475487     -8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00000233707706
                2s
                   +0 :              -0.00001357918300
                3s
                   +0 :              -0.00000029003471
                2p
                   -1 :               0.00011585038885
                   +0 :               0.00047982960812
                   +1 :              -0.00018625567403
                3p
                   -1 :               0.00000573375597
                   +0 :              -0.00039515747776
                   +1 :               0.00022241309806
                3d
                   -2 :              -0.00002024614191
                   -1 :               0.00001600619964
                   +0 :               0.00002371088740
                   +1 :               0.00001221823936
                   +2 :               0.00001192318077
             10 vec=    -2.174037     13.475787     -8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00001588587858
                2s
                   +0 :              -0.00007258095261
                3s
                   +0 :               0.00007795752615
                2p
                   -1 :               0.00005343433688
                   +0 :              -0.00002089147233
                   +1 :               0.00000183485185
                3p
                   -1 :              -0.00000198376169
                   +0 :              -0.00003505969457
                   +1 :              -0.00003789319851
                3d
                   -2 :              -0.00000002661276
                   -1 :              -0.00000456787938
                   +0 :               0.00000728227157
                   +1 :               0.00001861260399
                   +2 :               0.00001301058597
             11 vec=    13.386289     -4.491729     -8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00000035428742
                2s
                   +0 :              -0.00000574176734
                3s
                   +0 :              -0.00002392462294
                2p
                   -1 :               0.00005047790805
                   +0 :               0.00008298046525
                   +1 :               0.00006118500219
                3p
                   -1 :              -0.00005800837478
                   +0 :              -0.00005574353651
                   +1 :              -0.00009030748878
                3d
                   -2 :               0.00000263774848
                   -1 :               0.00000065398628
                   +0 :               0.00001299578750
                   +1 :               0.00000298975925
                   +2 :              -0.00001113589865
             12 vec=    13.386289      4.492029     -8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00005357332829
                2s
                   +0 :              -0.00027741634460
                3s
                   +0 :               0.00015397139144
                2p
                   -1 :               0.00014461377436
                   +0 :               0.00005286775034
                   +1 :              -0.00011820121873
                3p
                   -1 :              -0.00013301230862
                   +0 :              -0.00004520984045
                   +1 :               0.00013411442378
                3d
                   -2 :               0.00000106058203
                   -1 :              -0.00000401359984
                   +0 :              -0.00000074718213
                   +1 :              -0.00000696600474
                   +2 :              -0.00000213783084
             13 vec=    -2.174037     -4.491729     16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00001088907368
                2s
                   +0 :              -0.00010649060011
                3s
                   +0 :               0.00003053296350
                2p
                   -1 :              -0.00001207010263
                   +0 :              -0.00006926286587
                   +1 :              -0.00000567630419
                3p
                   -1 :              -0.00001673210853
                   +0 :              -0.00000228667680
                   +1 :               0.00003215233114
                3d
                   -2 :               0.00000227073306
                   -1 :              -0.00000213266570
                   +0 :              -0.00000068213823
                   +1 :               0.00000241508914
                   +2 :              -0.00000119543270
             14 vec=    -2.174037      4.492029     16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00001715834896
                2s
                   +0 :              -0.00014550828076
                3s
                   +0 :               0.00004537213592
                2p
                   -1 :              -0.00004083044090
                   +0 :              -0.00014713890849
                   +1 :               0.00007460771674
                3p
                   -1 :               0.00002295253728
                   +0 :               0.00006357451087
                   +1 :              -0.00005268951580
                3d
                   -2 :               0.00000157105254
                   -1 :              -0.00000057824079
                   +0 :              -0.00000407002939
                   +1 :              -0.00000495966824
                   +2 :              -0.00000404452706
             15 vec=     5.606126      0.000150     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00000461937510
                2s
                   +0 :               0.00006314252500
                3s
                   +0 :              -0.00000797652795
                2p
                   -1 :              -0.00019929006291
                   +0 :              -0.00001784142904
                   +1 :               0.00003785088567
                3p
                   -1 :               0.00009129946637
                   +0 :               0.00008665558415
                   +1 :              -0.00002794350119
                3d
                   -2 :              -0.00000208933324
                   -1 :              -0.00000186830144
                   +0 :               0.00000675365259
                   +1 :              -0.00000089740716
                   +2 :              -0.00000101115311
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 27)  npairs=  14
              1 vec=     0.209546     -0.363243     -8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00022314765956
                2s
                   +0 :               0.00148335447892
                3s
                   +0 :              -0.00069581616161
                2p
                   -1 :               0.00033154063938
                   +0 :              -0.00042269922954
                   +1 :              -0.00013792043120
                3p
                   -1 :              -0.00107738587939
                   +0 :               0.00023212074761
                   +1 :               0.00010754240192
                3d
                   -2 :               0.00004114927178
                   -1 :               0.00005004879711
                   +0 :               0.00020767791678
                   +1 :               0.00002440501343
                   +2 :               0.00008713648191
              2 vec=     0.209546      8.620515     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00001339120483
                2s
                   +0 :               0.00071740037834
                3s
                   +0 :               0.00007865616920
                2p
                   -1 :              -0.00031139082819
                   +0 :              -0.00031805439646
                   +1 :               0.00047409828557
                3p
                   -1 :               0.00043443814150
                   +0 :              -0.00019735156659
                   +1 :              -0.00038789011469
                3d
                   -2 :              -0.00004438322301
                   -1 :              -0.00001405421171
                   +0 :              -0.00000541003591
                   +1 :               0.00000138529765
                   +2 :              -0.00000190005577
              3 vec=    -7.570617      4.128636     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00005702690132
                2s
                   +0 :               0.00007105728782
                3s
                   +0 :              -0.00023627959107
                2p
                   -1 :               0.00027787938856
                   +0 :              -0.00063462724115
                   +1 :              -0.00070552261710
                3p
                   -1 :               0.00024225128341
                   +0 :               0.00033377350496
                   +1 :               0.00036294272573
                3d
                   -2 :              -0.00006688801699
                   -1 :              -0.00000277630922
                   +0 :              -0.00006681306512
                   +1 :              -0.00000990304008
                   +2 :              -0.00000566079853
              4 vec=     7.989708      4.128636     -8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00003923159106
                2s
                   +0 :               0.00003494032127
                3s
                   +0 :               0.00014252016114
                2p
                   -1 :              -0.00147643776326
                   +0 :              -0.00019419897438
                   +1 :               0.00055301338747
                3p
                   -1 :               0.00110426761284
                   +0 :               0.00004803522903
                   +1 :              -0.00035432614074
                3d
                   -2 :              -0.00003479702365
                   -1 :              -0.00008131461832
                   +0 :               0.00003352309764
                   +1 :               0.00002408157441
                   +2 :              -0.00002457934540
              5 vec=    -7.570617     -4.855122     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00005721927725
                2s
                   +0 :              -0.00051217734231
                3s
                   +0 :               0.00022824613244
                2p
                   -1 :              -0.00001229148203
                   +0 :               0.00003092443929
                   +1 :              -0.00008032411884
                3p
                   -1 :              -0.00009463279808
                   +0 :               0.00017609091594
                   +1 :               0.00009770516393
                3d
                   -2 :               0.00007979679305
                   -1 :               0.00003770580408
                   +0 :              -0.00005094755880
                   +1 :               0.00001750036745
                   +2 :              -0.00001333659459
              6 vec=     7.989708     -4.855122     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00001307302318
                2s
                   +0 :              -0.00028927517027
                3s
                   +0 :               0.00002732234178
                2p
                   -1 :              -0.00021297567684
                   +0 :               0.00001298690193
                   +1 :              -0.00078154430819
                3p
                   -1 :               0.00010314253105
                   +0 :               0.00029863420316
                   +1 :               0.00047452239616
                3d
                   -2 :              -0.00000975528444
                   -1 :               0.00000437802035
                   +0 :              -0.00001135666845
                   +1 :               0.00003540638231
                   +2 :               0.00003700904341
              7 vec=     0.209546     -9.347001     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00000495597556
                2s
                   +0 :              -0.00016039811167
                3s
                   +0 :               0.00001698774683
                2p
                   -1 :               0.00124817848583
                   +0 :               0.00137821859947
                   +1 :               0.00054564037370
                3p
                   -1 :              -0.00109552388007
                   +0 :              -0.00098007769936
                   +1 :              -0.00030048716301
                3d
                   -2 :               0.00001539473669
                   -1 :               0.00004869320665
                   +0 :               0.00000207822952
                   +1 :               0.00000726947668
                   +2 :              -0.00004165028708
              8 vec=     0.209546     -0.363243     16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00001134518409
                2s
                   +0 :               0.00006849155016
                3s
                   +0 :              -0.00004438727164
                2p
                   -1 :               0.00007056068831
                   +0 :               0.00003424195482
                   +1 :              -0.00002298488693
                3p
                   -1 :              -0.00007633465827
                   +0 :              -0.00004759692029
                   +1 :               0.00001217429675
                3d
                   -2 :               0.00000271174215
                   -1 :              -0.00000966582823
                   +0 :              -0.00000133358827
                   +1 :               0.00000296505148
                   +2 :               0.00000083942023
              9 vec=    -7.570617     13.112394     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00000648244947
                2s
                   +0 :              -0.00001903079584
                3s
                   +0 :              -0.00003215141756
                2p
                   -1 :              -0.00002297659786
                   +0 :               0.00002398080142
                   +1 :              -0.00002973017372
                3p
                   -1 :              -0.00000808670803
                   +0 :              -0.00000785577152
                   +1 :              -0.00004505617815
                3d
                   -2 :              -0.00000738029521
                   -1 :               0.00000132376252
                   +0 :               0.00001140379040
                   +1 :               0.00001620897068
                   +2 :               0.00000254901437
             10 vec=     7.989708     13.112394     -8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00003500127386
                2s
                   +0 :               0.00025998873423
                3s
                   +0 :              -0.00009432483987
                2p
                   -1 :               0.00022030236062
                   +0 :              -0.00011324308406
                   +1 :               0.00012777633066
                3p
                   -1 :              -0.00015542628585
                   +0 :               0.00004872977769
                   +1 :              -0.00003819582124
                3d
                   -2 :              -0.00000048871515
                   -1 :               0.00000793384365
                   +0 :              -0.00000161062259
                   +1 :              -0.00000235679802
                   +2 :               0.00000545121555
             11 vec=   -15.350780     -0.363243     -8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00000900609235
                2s
                   +0 :              -0.00009112119772
                3s
                   +0 :               0.00001695215929
                2p
                   -1 :               0.00009140264521
                   +0 :               0.00001779234955
                   +1 :              -0.00000807305607
                3p
                   -1 :              -0.00006374206708
                   +0 :              -0.00000154562689
                   +1 :               0.00002052082758
                3d
                   -2 :               0.00000105078361
                   -1 :               0.00000111209933
                   +0 :               0.00000496017822
                   +1 :              -0.00000025215244
                   +2 :              -0.00000840303807
             12 vec=    15.769871     -0.363243     -8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000713108312
                2s
                   +0 :               0.00002961562403
                3s
                   +0 :              -0.00001342526676
                2p
                   -1 :              -0.00000913279063
                   +0 :               0.00006447919920
                   +1 :              -0.00001513061122
                3p
                   -1 :              -0.00000292949677
                   +0 :              -0.00006890164247
                   +1 :              -0.00000016729655
                3d
                   -2 :              -0.00000049060590
                   -1 :               0.00000361641077
                   +0 :              -0.00000052333522
                   +1 :              -0.00000524759659
                   +2 :               0.00000179966522
             13 vec=    -7.570617    -13.838880     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00001261993104
                2s
                   +0 :               0.00012295598029
                3s
                   +0 :              -0.00003505752040
                2p
                   -1 :              -0.00008300493783
                   +0 :              -0.00002702584367
                   +1 :              -0.00000712527162
                3p
                   -1 :               0.00010027021645
                   +0 :               0.00005273624373
                   +1 :              -0.00001954394703
                3d
                   -2 :              -0.00000529985316
                   -1 :              -0.00000798400023
                   +0 :              -0.00000272713089
                   +1 :               0.00000096069509
                   +2 :               0.00000806194471
             14 vec=     7.989708    -13.838880     -8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00001452014556
                2s
                   +0 :              -0.00011496625356
                3s
                   +0 :               0.00004639636960
                2p
                   -1 :               0.00011550594555
                   +0 :               0.00006798664664
                   +1 :               0.00001722941841
                3p
                   -1 :              -0.00005872291456
                   +0 :              -0.00003953907108
                   +1 :              -0.00001168608211
                3d
                   -2 :              -0.00000523022756
                   -1 :               0.00000302918933
                   +0 :              -0.00000024965033
                   +1 :              -0.00000166684167
                   +2 :              -0.00000090005197
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 28)  npairs=  14
              1 vec=    -2.174555     -1.739106      4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00146573069315
                2s
                   +0 :              -0.03466386953335
                3s
                   +0 :               0.00326761775204
                2p
                   -1 :               0.00047562155941
                   +0 :              -0.02193747108099
                   +1 :               0.01069749484022
                3p
                   -1 :              -0.00587708227754
                   +0 :               0.00166187386892
                   +1 :              -0.00027279309182
                3d
                   -2 :               0.00006262700179
                   -1 :              -0.00114239698564
                   +0 :              -0.00162046395394
                   +1 :               0.00142628068728
                   +2 :              -0.00116259734705
              2 vec=     5.605607      2.752773      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00017681497627
                2s
                   +0 :               0.00118432856678
                3s
                   +0 :              -0.00075791135692
                2p
                   -1 :               0.00147523885997
                   +0 :              -0.00103823433459
                   +1 :               0.00157550665084
                3p
                   -1 :              -0.00161854894263
                   +0 :               0.00156734523601
                   +1 :              -0.00036115691735
                3d
                   -2 :              -0.00011674337995
                   -1 :              -0.00010004671431
                   +0 :               0.00021627463128
                   +1 :              -0.00015813283726
                   +2 :              -0.00012557393397
              3 vec=    -2.174555      7.244652      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00037197418725
                2s
                   +0 :               0.00192160165742
                3s
                   +0 :              -0.00025130480262
                2p
                   -1 :               0.00214533431446
                   +0 :              -0.00251344772896
                   +1 :              -0.00083531713339
                3p
                   -1 :              -0.00077949686634
                   +0 :               0.00258363583296
                   +1 :               0.00025112806054
                3d
                   -2 :               0.00004722375128
                   -1 :               0.00009458151268
                   +0 :               0.00018189117482
                   +1 :               0.00000281680534
                   +2 :               0.00003865223223
              4 vec=     5.605607     -6.230985      4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00077987313461
                2s
                   +0 :              -0.00497426308854
                3s
                   +0 :               0.00181830523834
                2p
                   -1 :               0.00056915308521
                   +0 :              -0.00188203299538
                   +1 :              -0.00237199342450
                3p
                   -1 :              -0.00007748316592
                   +0 :               0.00000639464517
                   +1 :               0.00154029934668
                3d
                   -2 :              -0.00020795421453
                   -1 :              -0.00012483904687
                   +0 :              -0.00019729484399
                   +1 :              -0.00005755265086
                   +2 :               0.00007435514466
              5 vec=    -9.954718      2.752773      4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00003871213844
                2s
                   +0 :               0.00050144558140
                3s
                   +0 :              -0.00024446481596
                2p
                   -1 :               0.00006770159059
                   +0 :               0.00005032988467
                   +1 :              -0.00196519568898
                3p
                   -1 :              -0.00008760001840
                   +0 :              -0.00013960667755
                   +1 :               0.00159248722184
                3d
                   -2 :               0.00005741860076
                   -1 :               0.00001067758545
                   +0 :               0.00015019646706
                   +1 :              -0.00002243080681
                   +2 :              -0.00011861848060
              6 vec=    -2.174555    -10.722864      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00004407595654
                2s
                   +0 :              -0.00006519488146
                3s
                   +0 :              -0.00019811664032
                2p
                   -1 :              -0.00006332343510
                   +0 :               0.00030075928760
                   +1 :               0.00055271168975
                3p
                   -1 :               0.00044518003469
                   +0 :              -0.00030008344952
                   +1 :              -0.00047451571078
                3d
                   -2 :              -0.00007740221371
                   -1 :               0.00002070953655
                   +0 :               0.00007570619652
                   +1 :               0.00008400033521
                   +2 :               0.00011786162140
              7 vec=    -9.954718     -6.230985      4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00002720552701
                2s
                   +0 :              -0.00029397281337
                3s
                   +0 :               0.00017084894697
                2p
                   -1 :              -0.00000990687099
                   +0 :              -0.00013224238529
                   +1 :               0.00080555602333
                3p
                   -1 :               0.00000330547194
                   +0 :               0.00030095569743
                   +1 :              -0.00070418978914
                3d
                   -2 :              -0.00001331465724
                   -1 :              -0.00003479696533
                   +0 :              -0.00000074965206
                   +1 :              -0.00004449088365
                   +2 :               0.00003557552750
              8 vec=     5.605607     11.736531      4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00003758085275
                2s
                   +0 :               0.00068065272537
                3s
                   +0 :               0.00005085605115
                2p
                   -1 :               0.00011463134936
                   +0 :               0.00025980317483
                   +1 :               0.00003402250996
                3p
                   -1 :               0.00021184609982
                   +0 :               0.00009135475711
                   +1 :               0.00009799520721
                3d
                   -2 :               0.00003578941797
                   -1 :               0.00001589339678
                   +0 :              -0.00001864285849
                   +1 :               0.00001796524648
                   +2 :              -0.00001754909895
              9 vec=    13.385770     -1.739106      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00003582163923
                2s
                   +0 :              -0.00033211731204
                3s
                   +0 :               0.00006829814433
                2p
                   -1 :              -0.00013650583822
                   +0 :               0.00004305657655
                   +1 :               0.00006588208018
                3p
                   -1 :               0.00009138376767
                   +0 :              -0.00005071634750
                   +1 :              -0.00020486999143
                3d
                   -2 :               0.00000048091727
                   -1 :               0.00000259917586
                   +0 :               0.00000353483638
                   +1 :              -0.00000735613962
                   +2 :              -0.00002110943472
             10 vec=    13.385770      7.244652      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000379719056
                2s
                   +0 :              -0.00000676980923
                3s
                   +0 :               0.00002845642410
                2p
                   -1 :               0.00005319004301
                   +0 :              -0.00000816358582
                   +1 :               0.00005282264161
                3p
                   -1 :              -0.00005532849120
                   +0 :               0.00003003924565
                   +1 :               0.00000410730216
                3d
                   -2 :              -0.00000195286521
                   -1 :              -0.00000079360727
                   +0 :               0.00000018101850
                   +1 :              -0.00000175702671
                   +2 :               0.00000835487918
             11 vec=    -9.954718     11.736531      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00006381026723
                2s
                   +0 :               0.00046106728988
                3s
                   +0 :              -0.00019420399803
                2p
                   -1 :               0.00024031294969
                   +0 :               0.00005573160396
                   +1 :              -0.00032207532444
                3p
                   -1 :              -0.00011165785445
                   +0 :              -0.00005125705824
                   +1 :               0.00019048136677
                3d
                   -2 :               0.00000817101829
                   -1 :               0.00000123000167
                   +0 :              -0.00001289085575
                   +1 :               0.00000294142025
                   +2 :              -0.00000874370926
             12 vec=     5.605607    -15.214743      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00003032090829
                2s
                   +0 :              -0.00025812891211
                3s
                   +0 :               0.00007148427072
                2p
                   -1 :               0.00036101887360
                   +0 :              -0.00009725882834
                   +1 :              -0.00035603283084
                3p
                   -1 :              -0.00024580788802
                   +0 :               0.00005894519040
                   +1 :               0.00029890895244
                3d
                   -2 :              -0.00002360077765
                   -1 :              -0.00000477723858
                   +0 :              -0.00000988038052
                   +1 :               0.00000834937922
                   +2 :              -0.00000752956484
             13 vec=    -2.174555     16.228410      4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00003272397477
                2s
                   +0 :               0.00024418930356
                3s
                   +0 :              -0.00008984419866
                2p
                   -1 :               0.00016039171235
                   +0 :               0.00002714391083
                   +1 :              -0.00017686033452
                3p
                   -1 :              -0.00006825994629
                   +0 :              -0.00001084756408
                   +1 :               0.00012696295501
                3d
                   -2 :               0.00000990008217
                   -1 :               0.00000025558489
                   +0 :              -0.00000108650347
                   +1 :              -0.00000151618203
                   +2 :              -0.00000334131522
             14 vec=    13.385770    -10.722864      4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000597446726
                2s
                   +0 :              -0.00006061932650
                3s
                   +0 :              -0.00000802822704
                2p
                   -1 :              -0.00000961968650
                   +0 :               0.00000605602671
                   +1 :               0.00005879913634
                3p
                   -1 :               0.00001760166430
                   +0 :              -0.00001190716752
                   +1 :              -0.00009263532214
                3d
                   -2 :               0.00000146094395
                   -1 :              -0.00000064425511
                   +0 :               0.00000635508329
                   +1 :              -0.00000269274661
                   +2 :              -0.00001008376304
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 29)  npairs=  14
              1 vec=     2.593647     -1.739106      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00023266637659
                2s
                   +0 :              -0.01936724224885
                3s
                   +0 :              -0.00261258989139
                2p
                   -1 :              -0.00421471935965
                   +0 :              -0.01523450943083
                   +1 :              -0.00467120855696
                3p
                   -1 :               0.00121560742460
                   +0 :              -0.00189342143260
                   +1 :              -0.00514377979515
                3d
                   -2 :               0.00009845670863
                   -1 :              -0.00010864549330
                   +0 :              -0.00146416535067
                   +1 :              -0.00216275492727
                   +2 :              -0.00079749454167
              2 vec=    -5.186516      2.752773      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00151318576919
                2s
                   +0 :               0.01099172134499
                3s
                   +0 :              -0.00477837564363
                2p
                   -1 :               0.00840147844477
                   +0 :               0.00177914959415
                   +1 :              -0.00467520264382
                3p
                   -1 :              -0.00721032714566
                   +0 :              -0.00067049141219
                   +1 :               0.00237155658373
                3d
                   -2 :               0.00045091801347
                   -1 :               0.00003271638087
                   +0 :               0.00012081910224
                   +1 :               0.00013129651330
                   +2 :              -0.00009148041100
              3 vec=     2.593647      7.244652      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00004522497078
                2s
                   +0 :              -0.00020915449289
                3s
                   +0 :               0.00036753654847
                2p
                   -1 :               0.00251514268400
                   +0 :              -0.00117434741568
                   +1 :               0.00169889186788
                3p
                   -1 :              -0.00120944521907
                   +0 :               0.00074547420331
                   +1 :              -0.00098848418529
                3d
                   -2 :              -0.00009178420571
                   -1 :              -0.00004645563330
                   +0 :               0.00000436047652
                   +1 :               0.00007970883699
                   +2 :               0.00005939661767
              4 vec=    -5.186516     -6.230985      4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00020992649340
                2s
                   +0 :              -0.00111806283587
                3s
                   +0 :               0.00036387166672
                2p
                   -1 :              -0.00327571741999
                   +0 :              -0.00390580149569
                   +1 :               0.00025613388542
                3p
                   -1 :               0.00232009141791
                   +0 :               0.00212799982135
                   +1 :               0.00050662019784
                3d
                   -2 :              -0.00000738347393
                   -1 :               0.00003026870991
                   +0 :              -0.00003485661083
                   +1 :              -0.00004576985246
                   +2 :               0.00003404938311
              5 vec=    10.373810      2.752773      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00006266489125
                2s
                   +0 :              -0.00030067240814
                3s
                   +0 :               0.00022704966322
                2p
                   -1 :              -0.00026472402139
                   +0 :              -0.00002938991647
                   +1 :               0.00007437818201
                3p
                   -1 :               0.00001285599937
                   +0 :               0.00007105467791
                   +1 :               0.00002278185580
                3d
                   -2 :              -0.00001864357221
                   -1 :              -0.00002544145684
                   +0 :               0.00006764884261
                   +1 :               0.00006049968109
                   +2 :               0.00000660676050
              6 vec=     2.593647    -10.722864      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00006344111878
                2s
                   +0 :              -0.00068909512378
                3s
                   +0 :               0.00007367359505
                2p
                   -1 :              -0.00033284953156
                   +0 :              -0.00090834698550
                   +1 :               0.00082358595181
                3p
                   -1 :               0.00041656545926
                   +0 :               0.00056427101953
                   +1 :              -0.00077401763535
                3d
                   -2 :               0.00009509028563
                   -1 :              -0.00004526697072
                   +0 :              -0.00008277774030
                   +1 :               0.00003461402520
                   +2 :               0.00005896600145
              7 vec=    10.373810     -6.230985      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00003145421233
                2s
                   +0 :              -0.00051895921761
                3s
                   +0 :               0.00010853010018
                2p
                   -1 :               0.00015896461238
                   +0 :               0.00055740182054
                   +1 :              -0.00007788980379
                3p
                   -1 :              -0.00009562072177
                   +0 :              -0.00045039683616
                   +1 :               0.00001214887199
                3d
                   -2 :              -0.00001875494312
                   -1 :               0.00000260131646
                   +0 :              -0.00002679084073
                   +1 :              -0.00000674293885
                   +2 :               0.00003884896557
              8 vec=    -5.186516     11.736531      4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00008606439178
                2s
                   +0 :               0.00102527240022
                3s
                   +0 :              -0.00012403530302
                2p
                   -1 :               0.00044047228381
                   +0 :               0.00053935249632
                   +1 :              -0.00003125519210
                3p
                   -1 :              -0.00014525586113
                   +0 :              -0.00020517204080
                   +1 :              -0.00008392983021
                3d
                   -2 :              -0.00002758098012
                   -1 :              -0.00001458127753
                   +0 :               0.00002385925911
                   +1 :              -0.00000372478470
                   +2 :              -0.00003074732917
              9 vec=   -12.966678     -1.739106      4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00007699541651
                2s
                   +0 :               0.00044284367055
                3s
                   +0 :              -0.00018579937394
                2p
                   -1 :               0.00009236590357
                   +0 :               0.00017505653439
                   +1 :              -0.00031612922088
                3p
                   -1 :              -0.00009173321683
                   +0 :              -0.00010732988458
                   +1 :               0.00032585891975
                3d
                   -2 :              -0.00001012491615
                   -1 :              -0.00001091346011
                   +0 :               0.00001260109513
                   +1 :               0.00001202462851
                   +2 :              -0.00003938050765
             10 vec=   -12.966678      7.244652      4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00000852125115
                2s
                   +0 :               0.00005297708473
                3s
                   +0 :              -0.00001890450341
                2p
                   -1 :              -0.00007074005131
                   +0 :              -0.00009674281287
                   +1 :               0.00000799016262
                3p
                   -1 :               0.00006088900733
                   +0 :               0.00005285634874
                   +1 :              -0.00006014951925
                3d
                   -2 :              -0.00001149734568
                   -1 :               0.00000673880716
                   +0 :              -0.00000520321556
                   +1 :               0.00000356142177
                   +2 :               0.00000042451322
             11 vec=    10.373810     11.736531      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000385046103
                2s
                   +0 :               0.00004001417291
                3s
                   +0 :               0.00002752222751
                2p
                   -1 :              -0.00001463348456
                   +0 :              -0.00002542747443
                   +1 :               0.00007986293979
                3p
                   -1 :               0.00004198696466
                   +0 :               0.00003566821068
                   +1 :               0.00002279378178
                3d
                   -2 :               0.00000030273557
                   -1 :              -0.00000671345983
                   +0 :              -0.00000771940917
                   +1 :               0.00000410288509
                   +2 :              -0.00000252569012
             12 vec=    -5.186516    -15.214743      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00003291927768
                2s
                   +0 :              -0.00022677233382
                3s
                   +0 :               0.00007179329239
                2p
                   -1 :               0.00015959755620
                   +0 :               0.00017415348088
                   +1 :              -0.00000911980850
                3p
                   -1 :              -0.00002574722296
                   +0 :              -0.00018328905090
                   +1 :               0.00005629344017
                3d
                   -2 :               0.00000260284685
                   -1 :               0.00001110411497
                   +0 :               0.00000613772584
                   +1 :               0.00000390416675
                   +2 :               0.00000794115748
             13 vec=     2.593647     16.228410      4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00003506709145
                2s
                   +0 :               0.00028301989980
                3s
                   +0 :              -0.00006993753617
                2p
                   -1 :               0.00015395321871
                   +0 :               0.00004281676902
                   +1 :               0.00011298681794
                3p
                   -1 :              -0.00004897717736
                   +0 :              -0.00001091762308
                   +1 :              -0.00008994718320
                3d
                   -2 :              -0.00000596605721
                   -1 :              -0.00000418717424
                   +0 :               0.00000799473354
                   +1 :              -0.00000290894557
                   +2 :              -0.00001260715605
             14 vec=   -12.966678    -10.722864      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00001733440538
                2s
                   +0 :              -0.00006457462005
                3s
                   +0 :               0.00006040245883
                2p
                   -1 :              -0.00000173702525
                   +0 :               0.00002036622279
                   +1 :              -0.00002407439114
                3p
                   -1 :               0.00001394438775
                   +0 :              -0.00000862026185
                   +1 :               0.00003298875019
                3d
                   -2 :              -0.00000563108292
                   -1 :               0.00000256784532
                   +0 :              -0.00000041780292
                   +1 :              -0.00000119991085
                   +2 :               0.00000790038954
WF             site_B          number of pairs
WF(  6)=[O_1_2py]  to site O ( 30)  npairs=  14
              1 vec=     0.209546      3.115268      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00194687251104
                2s
                   +0 :               0.04551972496256
                3s
                   +0 :              -0.00266533771788
                2p
                   -1 :               0.00901102410991
                   +0 :               0.02418211412615
                   +1 :              -0.00010055726219
                3p
                   -1 :               0.00473731781189
                   +0 :               0.00086996495613
                   +1 :               0.00227032372824
                3d
                   -2 :               0.00003992510411
                   -1 :               0.00226364446784
                   +0 :               0.00154085613719
                   +1 :              -0.00053842060378
                   +2 :              -0.00052578534023
              2 vec=     0.209546     -5.868490      4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00136712060174
                2s
                   +0 :              -0.01188365156070
                3s
                   +0 :               0.00578231255650
                2p
                   -1 :               0.01525852930776
                   +0 :              -0.01300408300533
                   +1 :              -0.00018491105948
                3p
                   -1 :              -0.01167438829917
                   +0 :               0.00856519796302
                   +1 :               0.00109251034232
                3d
                   -2 :              -0.00008152560797
                   -1 :              -0.00133072689352
                   +0 :               0.00047186326840
                   +1 :              -0.00001695660257
                   +2 :              -0.00067820578362
              3 vec=    -7.570617     -1.376611      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00028834382452
                2s
                   +0 :               0.00240392411268
                3s
                   +0 :              -0.00060766169765
                2p
                   -1 :              -0.00195440951122
                   +0 :               0.00050872128287
                   +1 :               0.00157532161754
                3p
                   -1 :               0.00128870373499
                   +0 :               0.00050674638565
                   +1 :              -0.00130160083025
                3d
                   -2 :               0.00006124597889
                   -1 :              -0.00014905348462
                   +0 :               0.00015404107705
                   +1 :              -0.00018826741007
                   +2 :               0.00017380272867
              4 vec=     7.989708     -1.376611      4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00018325583557
                2s
                   +0 :               0.00096895174085
                3s
                   +0 :              -0.00068935772007
                2p
                   -1 :               0.00084696186130
                   +0 :               0.00058637204348
                   +1 :              -0.00104178157312
                3p
                   -1 :              -0.00095506463259
                   +0 :              -0.00014823627485
                   +1 :               0.00025817843640
                3d
                   -2 :              -0.00004127780842
                   -1 :              -0.00004349087083
                   +0 :              -0.00003543691433
                   +1 :               0.00019672046976
                   +2 :               0.00008573958500
              5 vec=    -7.570617      7.607147      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00009049508367
                2s
                   +0 :              -0.00030406232188
                3s
                   +0 :               0.00050405468477
                2p
                   -1 :              -0.00098156469322
                   +0 :               0.00001071479309
                   +1 :              -0.00041169194353
                3p
                   -1 :               0.00114214176190
                   +0 :               0.00021250043228
                   +1 :              -0.00021474745698
                3d
                   -2 :              -0.00009325747234
                   -1 :              -0.00001692313448
                   +0 :              -0.00006438494238
                   +1 :              -0.00004793749204
                   +2 :              -0.00002941876998
              6 vec=     7.989708      7.607147      4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00004565326655
                2s
                   +0 :               0.00049933419334
                3s
                   +0 :              -0.00004499514773
                2p
                   -1 :               0.00046588370104
                   +0 :               0.00045827839345
                   +1 :               0.00071967697682
                3p
                   -1 :              -0.00038591196710
                   +0 :              -0.00031677246645
                   +1 :              -0.00035701204843
                3d
                   -2 :               0.00001257061136
                   -1 :              -0.00000915370114
                   +0 :              -0.00003459428936
                   +1 :               0.00001106994500
                   +2 :               0.00000861941612
              7 vec=     0.209546     12.099026      4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00004086708505
                2s
                   +0 :               0.00068585548877
                3s
                   +0 :              -0.00002669286510
                2p
                   -1 :              -0.00041034476001
                   +0 :              -0.00005552707416
                   +1 :              -0.00006946402018
                3p
                   -1 :               0.00051678746432
                   +0 :               0.00013716373114
                   +1 :               0.00003307975447
                3d
                   -2 :              -0.00000605773916
                   -1 :               0.00001771541935
                   +0 :              -0.00000241629541
                   +1 :              -0.00000956760342
                   +2 :              -0.00001963413260
              8 vec=    -7.570617    -10.360369      4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00007313430783
                2s
                   +0 :              -0.00067163028385
                3s
                   +0 :               0.00009769320695
                2p
                   -1 :               0.00036352001809
                   +0 :              -0.00006230693018
                   +1 :              -0.00029628549827
                3p
                   -1 :              -0.00032823530298
                   +0 :              -0.00016973657664
                   +1 :               0.00039619541935
                3d
                   -2 :              -0.00001673417982
                   -1 :               0.00000737309940
                   +0 :              -0.00002177401300
                   +1 :               0.00002828483120
                   +2 :              -0.00006075633376
              9 vec=     7.989708    -10.360369      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00012771908474
                2s
                   +0 :               0.00032202562582
                3s
                   +0 :              -0.00047435990903
                2p
                   -1 :               0.00059619546413
                   +0 :               0.00013536043106
                   +1 :              -0.00038766949649
                3p
                   -1 :              -0.00050676421594
                   +0 :              -0.00016873129422
                   +1 :               0.00024890062896
                3d
                   -2 :              -0.00002106089021
                   -1 :              -0.00002375268088
                   +0 :              -0.00003077752068
                   +1 :               0.00002896871912
                   +2 :              -0.00000460383107
             10 vec=     0.209546    -14.852248      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00001860468426
                2s
                   +0 :               0.00006374647355
                3s
                   +0 :              -0.00018050425243
                2p
                   -1 :              -0.00006515610205
                   +0 :              -0.00004066190966
                   +1 :              -0.00003284264616
                3p
                   -1 :               0.00017407113811
                   +0 :              -0.00001666469546
                   +1 :               0.00006194373558
                3d
                   -2 :              -0.00001250994709
                   -1 :              -0.00000376442003
                   +0 :              -0.00001670920227
                   +1 :               0.00001189229458
                   +2 :               0.00000977401239
             11 vec=   -15.350780      3.115268      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00002035011244
                2s
                   +0 :              -0.00008988825671
                3s
                   +0 :               0.00009646700594
                2p
                   -1 :              -0.00012479794909
                   +0 :               0.00010723539672
                   +1 :               0.00024076117512
                3p
                   -1 :               0.00011037149335
                   +0 :              -0.00007611688560
                   +1 :              -0.00027079531625
                3d
                   -2 :              -0.00001101110303
                   -1 :               0.00000592581155
                   +0 :              -0.00001301577703
                   +1 :               0.00000102619354
                   +2 :               0.00002525057007
             12 vec=    15.769871      3.115268      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00000579790624
                2s
                   +0 :              -0.00003037592383
                3s
                   +0 :               0.00001428082897
                2p
                   -1 :              -0.00008125903716
                   +0 :               0.00001094669823
                   +1 :              -0.00005153679223
                3p
                   -1 :               0.00003604691741
                   +0 :              -0.00000174305202
                   +1 :               0.00006936117356
                3d
                   -2 :              -0.00000067797181
                   -1 :              -0.00000317936295
                   +0 :              -0.00000358752367
                   +1 :              -0.00000461713801
                   +2 :               0.00000258584471
             13 vec=   -15.350780     -5.868490      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00001220095790
                2s
                   +0 :               0.00011522808918
                3s
                   +0 :              -0.00003960008499
                2p
                   -1 :              -0.00007003182282
                   +0 :               0.00002056967270
                   +1 :              -0.00007468109367
                3p
                   -1 :               0.00005398244422
                   +0 :              -0.00000970415695
                   +1 :               0.00006861103689
                3d
                   -2 :               0.00000005935369
                   -1 :              -0.00000165196514
                   +0 :              -0.00000024179029
                   +1 :              -0.00000207684775
                   +2 :              -0.00001034245581
             14 vec=    15.769871     -5.868490      4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00002149668114
                2s
                   +0 :              -0.00017320667276
                3s
                   +0 :               0.00005494736949
                2p
                   -1 :               0.00009673175104
                   +0 :              -0.00003298566023
                   +1 :              -0.00005685603440
                3p
                   -1 :              -0.00007200124339
                   +0 :               0.00000369030361
                   +1 :               0.00001836731695
                3d
                   -2 :               0.00000025621950
                   -1 :              -0.00000121156410
                   +0 :              -0.00000262846554
                   +1 :               0.00000043421244
                   +2 :              -0.00000625676101
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al(  1)  npairs=  14
              1 vec=    -2.383842      1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.01915652507103
                2p
                   -1 :               0.01016958846347
                   +0 :               0.01779594381072
                   +1 :              -0.02273924037006
                3s
                   +0 :               0.08093439332903
                4s
                   +0 :               0.00493558055837
                3p
                   -1 :               0.03480391234785
                   +0 :               0.02850020157023
                   +1 :              -0.05001895820767
                4p
                   -1 :               0.00388137697126
                   +0 :               0.00875638807356
                   +1 :              -0.01190346105107
                3d
                   -2 :              -0.03414194692704
                   -1 :               0.01764112490300
                   +0 :              -0.01016279210592
                   +1 :              -0.03290974704118
                   +2 :               0.02229652094627
              2 vec=     5.396321     -3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00235793145449
                2p
                   -1 :               0.00027420510896
                   +0 :              -0.00031731638965
                   +1 :              -0.00189522076211
                3s
                   +0 :               0.01001891926201
                4s
                   +0 :              -0.00566256417079
                3p
                   -1 :              -0.00062014991747
                   +0 :              -0.00226160807083
                   +1 :               0.00797465316761
                4p
                   -1 :               0.00068504220828
                   +0 :              -0.00116197597894
                   +1 :              -0.00337252579106
                3d
                   -2 :              -0.00118397052999
                   -1 :              -0.00052896379354
                   +0 :               0.00338453694056
                   +1 :               0.00018757883827
                   +2 :               0.00063762533053
              3 vec=    -2.383842     -7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00118563584973
                2p
                   -1 :              -0.00046463589801
                   +0 :               0.00049157508575
                   +1 :              -0.00017876962023
                3s
                   +0 :              -0.00878882029758
                4s
                   +0 :               0.00336114530282
                3p
                   -1 :               0.00547355054110
                   +0 :              -0.00555691698961
                   +1 :               0.00126502809600
                4p
                   -1 :              -0.00165868107021
                   +0 :               0.00140973741493
                   +1 :              -0.00090708739513
                3d
                   -2 :              -0.00041923116730
                   -1 :               0.00148828382363
                   +0 :              -0.00024795008284
                   +1 :               0.00042966668354
                   +2 :               0.00078552718606
              4 vec=     5.396321      5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00156181802526
                2p
                   -1 :               0.00000344695499
                   +0 :               0.00024186969278
                   +1 :               0.00041252961843
                3s
                   +0 :              -0.00592152933923
                4s
                   +0 :               0.00226251335386
                3p
                   -1 :              -0.00173506675591
                   +0 :              -0.00155049479977
                   +1 :              -0.00267988272339
                4p
                   -1 :               0.00025589116173
                   +0 :               0.00039040630405
                   +1 :               0.00054636426976
                3d
                   -2 :              -0.00019770300138
                   -1 :               0.00030423743550
                   +0 :               0.00007420558250
                   +1 :              -0.00055111907811
                   +2 :              -0.00100790266781
              5 vec=   -10.164004     -3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00014548845334
                2p
                   -1 :              -0.00007528601735
                   +0 :              -0.00000718914159
                   +1 :               0.00003604385000
                3s
                   +0 :              -0.00028609994199
                4s
                   +0 :              -0.00000306127877
                3p
                   -1 :              -0.00053092950929
                   +0 :               0.00043086662298
                   +1 :              -0.00036219329104
                4p
                   -1 :               0.00009415752458
                   +0 :              -0.00009377089772
                   +1 :               0.00020677716044
                3d
                   -2 :               0.00018484260267
                   -1 :               0.00012771513659
                   +0 :              -0.00037280692466
                   +1 :               0.00011981324258
                   +2 :              -0.00027249138423
              6 vec=    -2.383842     10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00043779098888
                2p
                   -1 :               0.00037228268284
                   +0 :              -0.00040366416181
                   +1 :              -0.00013297059884
                3s
                   +0 :               0.00022433804176
                4s
                   +0 :               0.00008302008883
                3p
                   -1 :              -0.00037389369229
                   +0 :               0.00216640897375
                   +1 :               0.00111040796113
                4p
                   -1 :               0.00020779910346
                   +0 :              -0.00050993663931
                   +1 :              -0.00007000946214
                3d
                   -2 :               0.00053447044561
                   -1 :               0.00007435802846
                   +0 :              -0.00018200842073
                   +1 :              -0.00030909481516
                   +2 :              -0.00004122747100
              7 vec=   -10.164004      5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00062467241480
                2p
                   -1 :              -0.00017711001582
                   +0 :              -0.00021405064302
                   +1 :              -0.00008967333858
                3s
                   +0 :               0.00208736139274
                4s
                   +0 :              -0.00010301131008
                3p
                   -1 :               0.00058246010085
                   +0 :               0.00125007192119
                   +1 :               0.00086219108405
                4p
                   -1 :               0.00002457494661
                   +0 :              -0.00029262444510
                   +1 :              -0.00048597907070
                3d
                   -2 :              -0.00035841974425
                   -1 :               0.00004156953405
                   +0 :              -0.00004876797400
                   +1 :              -0.00003625349955
                   +2 :              -0.00035145100448
              8 vec=     5.396321    -12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00017913395592
                2p
                   -1 :              -0.00002661760177
                   +0 :               0.00009142573824
                   +1 :              -0.00000369510556
                3s
                   +0 :              -0.00038266037326
                4s
                   +0 :               0.00023178476490
                3p
                   -1 :               0.00003906990915
                   +0 :              -0.00033167406450
                   +1 :              -0.00000919304666
                4p
                   -1 :              -0.00007578203443
                   +0 :               0.00008138767923
                   +1 :              -0.00003090718642
                3d
                   -2 :              -0.00028553762230
                   -1 :               0.00012081735549
                   +0 :               0.00001400550820
                   +1 :               0.00003093587808
                   +2 :              -0.00001057986374
              9 vec=    13.176483      1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00007673391979
                2p
                   -1 :              -0.00003721574912
                   +0 :              -0.00006811874666
                   +1 :               0.00002056571512
                3s
                   +0 :               0.00025770813432
                4s
                   +0 :              -0.00008015209347
                3p
                   -1 :               0.00031476303352
                   +0 :               0.00034534843145
                   +1 :               0.00013759989947
                4p
                   -1 :              -0.00007493056572
                   +0 :              -0.00001993858634
                   +1 :              -0.00007023440240
                3d
                   -2 :               0.00001364942935
                   -1 :               0.00001140189895
                   +0 :               0.00004934233812
                   +1 :               0.00011173404907
                   +2 :               0.00003835767464
             10 vec=    13.176483     -7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00004870488837
                2p
                   -1 :               0.00000585721813
                   +0 :              -0.00000229629097
                   +1 :              -0.00005157094051
                3s
                   +0 :               0.00034976442992
                4s
                   +0 :              -0.00012449012078
                3p
                   -1 :              -0.00004564715908
                   +0 :              -0.00001738550149
                   +1 :               0.00027193282204
                4p
                   -1 :              -0.00000066540630
                   +0 :              -0.00000828591055
                   +1 :              -0.00009909465879
                3d
                   -2 :              -0.00005949609468
                   -1 :              -0.00000159284046
                   +0 :               0.00002276618846
                   +1 :              -0.00001073578372
                   +2 :               0.00003217660798
             11 vec=   -10.164004    -12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00009733490404
                2p
                   -1 :              -0.00000810155804
                   +0 :              -0.00001597876995
                   +1 :              -0.00002769267627
                3s
                   +0 :              -0.00040343571902
                4s
                   +0 :               0.00007048726823
                3p
                   -1 :               0.00009417612341
                   +0 :              -0.00019435011000
                   +1 :              -0.00005301647324
                4p
                   -1 :               0.00000323347104
                   +0 :              -0.00000965340744
                   +1 :              -0.00001166646898
                3d
                   -2 :               0.00004956654214
                   -1 :               0.00008119922016
                   +0 :               0.00002861147352
                   +1 :              -0.00000318873722
                   +2 :               0.00006183524283
             12 vec=     5.396321     14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00001545076704
                2p
                   -1 :              -0.00004456900827
                   +0 :               0.00005550950610
                   +1 :               0.00005514608318
                3s
                   +0 :              -0.00002790689275
                4s
                   +0 :              -0.00002288713629
                3p
                   -1 :               0.00029218775923
                   +0 :              -0.00048899958671
                   +1 :              -0.00043433571845
                4p
                   -1 :              -0.00005268743455
                   +0 :               0.00005699599365
                   +1 :               0.00007084113076
                3d
                   -2 :              -0.00005197232501
                   -1 :              -0.00009525385111
                   +0 :               0.00000056531200
                   +1 :               0.00000992477933
                   +2 :              -0.00008520126599
             13 vec=    -2.383842    -16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00004035724490
                2p
                   -1 :              -0.00001321263835
                   +0 :               0.00001218646235
                   +1 :               0.00001524731981
                3s
                   +0 :              -0.00018479149990
                4s
                   +0 :               0.00004118460345
                3p
                   -1 :               0.00005116192832
                   +0 :              -0.00009936066307
                   +1 :              -0.00012566988555
                4p
                   -1 :               0.00000448798576
                   +0 :               0.00001067125652
                   +1 :               0.00004659008401
                3d
                   -2 :               0.00003795288186
                   -1 :              -0.00000247763123
                   +0 :              -0.00002173597577
                   +1 :              -0.00000920095312
                   +2 :               0.00000382381842
             14 vec=    13.176483     10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00002502443044
                2p
                   -1 :              -0.00000077114036
                   +0 :              -0.00001242054959
                   +1 :              -0.00001593130780
                3s
                   +0 :               0.00007091171198
                4s
                   +0 :              -0.00003069041593
                3p
                   -1 :               0.00001770814912
                   +0 :              -0.00001327065266
                   +1 :               0.00007140877275
                4p
                   -1 :              -0.00000625066494
                   +0 :               0.00000780233705
                   +1 :              -0.00002498356189
                3d
                   -2 :              -0.00002180700139
                   -1 :               0.00000708110537
                   +0 :               0.00001093710203
                   +1 :               0.00001666420608
                   +2 :               0.00001985189860
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al(  2)  npairs=  13
              1 vec=    -2.383842      1.376312      9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00052496013488
                2p
                   -1 :               0.00007162036844
                   +0 :              -0.00021750167132
                   +1 :              -0.00041559737069
                3s
                   +0 :              -0.00015754405562
                4s
                   +0 :               0.00000058910800
                3p
                   -1 :               0.00006528965843
                   +0 :               0.00183274895374
                   +1 :               0.00157433985689
                4p
                   -1 :              -0.00016796674528
                   +0 :              -0.00059889551338
                   +1 :              -0.00026195675257
                3d
                   -2 :               0.00013781843931
                   -1 :               0.00024502557840
                   +0 :               0.00013122110139
                   +1 :              -0.00068356003249
                   +2 :               0.00026789773599
              2 vec=     5.396321     -3.115567      9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00095836387213
                2p
                   -1 :               0.00018619101140
                   +0 :              -0.00026904214489
                   +1 :              -0.00002453671575
                3s
                   +0 :               0.00383127810530
                4s
                   +0 :              -0.00148652257050
                3p
                   -1 :              -0.00110512789550
                   +0 :               0.00237847922160
                   +1 :               0.00015036212808
                4p
                   -1 :               0.00036857915029
                   +0 :              -0.00076009241522
                   +1 :               0.00002162017266
                3d
                   -2 :               0.00024044477229
                   -1 :              -0.00012026082076
                   +0 :               0.00053026695667
                   +1 :               0.00010673505211
                   +2 :              -0.00001769013726
              3 vec=    -2.383842     -7.607446      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00025325997620
                2p
                   -1 :              -0.00033369318200
                   +0 :               0.00013797063366
                   +1 :              -0.00005556776773
                3s
                   +0 :               0.00229859036490
                4s
                   +0 :               0.00012347339838
                3p
                   -1 :              -0.00167985785868
                   +0 :               0.00032913934093
                   +1 :               0.00065527555643
                4p
                   -1 :              -0.00021428398403
                   +0 :              -0.00006302160071
                   +1 :              -0.00019020869407
                3d
                   -2 :              -0.00014713764205
                   -1 :              -0.00017728092789
                   +0 :              -0.00041968913624
                   +1 :               0.00005783712923
                   +2 :              -0.00079523172145
              4 vec=     5.396321      5.868191      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00004312712873
                2p
                   -1 :               0.00026296605351
                   +0 :               0.00006950129322
                   +1 :               0.00003126480112
                3s
                   +0 :               0.00151074091320
                4s
                   +0 :               0.00009206221574
                3p
                   -1 :              -0.00014347747004
                   +0 :               0.00014998564376
                   +1 :               0.00106056112787
                4p
                   -1 :               0.00045568240684
                   +0 :               0.00008717909260
                   +1 :              -0.00000897396292
                3d
                   -2 :               0.00028494975378
                   -1 :               0.00014944085015
                   +0 :              -0.00026806131205
                   +1 :               0.00001642372154
                   +2 :               0.00006638608484
              5 vec=   -10.164004     -3.115567      9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00009424787785
                2p
                   -1 :               0.00013405661694
                   +0 :               0.00000936789599
                   +1 :              -0.00012742206104
                3s
                   +0 :              -0.00062677030443
                4s
                   +0 :               0.00020793438570
                3p
                   -1 :              -0.00056569782245
                   +0 :              -0.00030852035925
                   +1 :               0.00069427492080
                4p
                   -1 :               0.00009740132164
                   +0 :               0.00008201496491
                   +1 :              -0.00016968992414
                3d
                   -2 :               0.00005040961980
                   -1 :              -0.00007887515672
                   +0 :              -0.00009682184873
                   +1 :               0.00006712329105
                   +2 :              -0.00015572100562
              6 vec=    -2.383842     10.360070      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00007804776888
                2p
                   -1 :              -0.00014455042032
                   +0 :               0.00001540492251
                   +1 :               0.00002611273637
                3s
                   +0 :               0.00004688256748
                4s
                   +0 :              -0.00007632130876
                3p
                   -1 :               0.00060656158846
                   +0 :              -0.00035931969517
                   +1 :              -0.00019603892673
                4p
                   -1 :              -0.00020905259477
                   +0 :               0.00011473690200
                   +1 :               0.00008027108023
                3d
                   -2 :               0.00006688070970
                   -1 :               0.00005208079764
                   +0 :              -0.00014097323211
                   +1 :               0.00003035094931
                   +2 :               0.00002392676910
              7 vec=    -2.383842      1.376312    -14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00008693266049
                2p
                   -1 :               0.00006785892302
                   +0 :               0.00002878137086
                   +1 :               0.00008685973569
                3s
                   +0 :               0.00007416354994
                4s
                   +0 :              -0.00000165434183
                3p
                   -1 :              -0.00059600781948
                   +0 :               0.00001746333054
                   +1 :              -0.00011307930427
                4p
                   -1 :               0.00008719645219
                   +0 :              -0.00003490476639
                   +1 :               0.00006748081280
                3d
                   -2 :              -0.00010476452968
                   -1 :               0.00008607023024
                   +0 :              -0.00007527352402
                   +1 :              -0.00001271034034
                   +2 :               0.00005679722762
              8 vec=   -10.164004      5.868191      9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00019614386510
                2p
                   -1 :               0.00005623852878
                   +0 :               0.00015073305488
                   +1 :              -0.00010876235695
                3s
                   +0 :              -0.00073086348626
                4s
                   +0 :               0.00021719377013
                3p
                   -1 :              -0.00018117932969
                   +0 :              -0.00064840218470
                   +1 :               0.00061917419550
                4p
                   -1 :               0.00000367900762
                   +0 :               0.00021736453318
                   +1 :              -0.00017135044353
                3d
                   -2 :               0.00009912130692
                   -1 :              -0.00010840229617
                   +0 :              -0.00000635593854
                   +1 :               0.00017945931880
                   +2 :              -0.00004386032870
              9 vec=     5.396321     -3.115567    -14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00008310869097
                2p
                   -1 :               0.00003116142460
                   +0 :              -0.00000810888687
                   +1 :               0.00001551601881
                3s
                   +0 :              -0.00052885424922
                4s
                   +0 :               0.00006935719805
                3p
                   -1 :              -0.00015181298229
                   +0 :              -0.00003686216117
                   +1 :               0.00006791204439
                4p
                   -1 :               0.00002662306834
                   +0 :               0.00004560741684
                   +1 :              -0.00002435049560
                3d
                   -2 :               0.00002169814885
                   -1 :               0.00003114227003
                   +0 :              -0.00001558768856
                   +1 :              -0.00001803132015
                   +2 :               0.00001163018117
             10 vec=     5.396321    -12.099325      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00005891466871
                2p
                   -1 :               0.00002605916868
                   +0 :               0.00000309507982
                   +1 :              -0.00003466026901
                3s
                   +0 :               0.00034912888845
                4s
                   +0 :              -0.00008380688147
                3p
                   -1 :              -0.00008470974319
                   +0 :               0.00003980110323
                   +1 :               0.00011257694277
                4p
                   -1 :               0.00002658467418
                   +0 :               0.00001247443775
                   +1 :              -0.00005903347752
                3d
                   -2 :               0.00001353279112
                   -1 :              -0.00004327646640
                   +0 :               0.00003082254490
                   +1 :              -0.00001034778168
                   +2 :              -0.00000845122883
             11 vec=    13.176483      1.376312      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00008098756940
                2p
                   -1 :               0.00001432813221
                   +0 :               0.00000029264822
                   +1 :              -0.00005904177675
                3s
                   +0 :               0.00046205456263
                4s
                   +0 :              -0.00015072601863
                3p
                   -1 :              -0.00007423013713
                   +0 :               0.00001665391752
                   +1 :               0.00033016190047
                4p
                   -1 :               0.00003066417318
                   +0 :              -0.00000365624864
                   +1 :              -0.00011651057491
                3d
                   -2 :               0.00001537568019
                   -1 :              -0.00002970287703
                   +0 :              -0.00001550628543
                   +1 :              -0.00002748639280
                   +2 :              -0.00002272341356
             12 vec=    -2.383842     -7.607446    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00016678313976
                2p
                   -1 :              -0.00002426217144
                   +0 :              -0.00001151797836
                   +1 :               0.00003825888282
                3s
                   +0 :              -0.00100258283453
                4s
                   +0 :               0.00019744773324
                3p
                   -1 :               0.00021100237040
                   +0 :               0.00008054791848
                   +1 :               0.00003634829821
                4p
                   -1 :              -0.00003396919275
                   +0 :               0.00000629865662
                   +1 :               0.00002501016345
                3d
                   -2 :              -0.00011052634833
                   -1 :              -0.00001088861599
                   +0 :               0.00012598229730
                   +1 :              -0.00002589494190
                   +2 :              -0.00006615135514
             13 vec=     5.396321      5.868191    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00008929821247
                2p
                   -1 :              -0.00000030040574
                   +0 :               0.00000085757547
                   +1 :               0.00000998485665
                3s
                   +0 :              -0.00067989419648
                4s
                   +0 :               0.00008867587458
                3p
                   -1 :              -0.00000933748763
                   +0 :               0.00001660690205
                   +1 :              -0.00008824357657
                4p
                   -1 :              -0.00000431215593
                   +0 :               0.00000556257991
                   +1 :              -0.00001472134489
                3d
                   -2 :               0.00010611656933
                   -1 :              -0.00000648982907
                   +0 :               0.00012033141125
                   +1 :              -0.00003596090993
                   +2 :               0.00004426444592
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Cr(  3)  npairs=  14
              1 vec=    -2.383842      1.376312     -2.510723   |vec|=    3.725676
                3s
                   +0 :               0.04046374992050
                3p
                   -1 :               0.03289930757492
                   +0 :              -0.04235312087454
                   +1 :              -0.05069052095541
                4s
                   +0 :               0.04153976020135
                5s
                   +0 :               0.00359480397572
                3d
                   -2 :              -0.03573239946578
                   -1 :              -0.02060457735684
                   +0 :              -0.01857533291063
                   +1 :               0.03534628858315
                   +2 :               0.01740450322584
                4d
                   -2 :              -0.00705325744252
                   -1 :              -0.00350851233746
                   +0 :              -0.00269209653752
                   +1 :               0.00425132876667
                   +2 :               0.00539829190841
                4p
                   -1 :               0.00797821528105
                   +0 :              -0.00760829062827
                   +1 :              -0.01951688468107
              2 vec=     5.396321     -3.115567     -2.510723   |vec|=    6.717944
                3s
                   +0 :              -0.00159936151191
                3p
                   -1 :               0.00145195494040
                   +0 :               0.00072574546242
                   +1 :              -0.00120895993831
                4s
                   +0 :               0.00313918423790
                5s
                   +0 :              -0.00152842610803
                3d
                   -2 :              -0.00099327055613
                   -1 :              -0.00096180884030
                   +0 :               0.00192986208885
                   +1 :               0.00107102150256
                   +2 :               0.00007307036915
                4d
                   -2 :              -0.00072158706820
                   -1 :               0.00093505599039
                   +0 :               0.00081901592209
                   +1 :              -0.00125132568249
                   +2 :               0.00084471275976
                4p
                   -1 :              -0.00118544268229
                   +0 :              -0.00037386957623
                   +1 :               0.00047205731629
              3 vec=    -2.383842     -7.607446     -2.510723   |vec|=    8.358210
                3s
                   +0 :               0.00040620742896
                3p
                   -1 :              -0.00006173855156
                   +0 :              -0.00016206927966
                   +1 :               0.00061966595063
                4s
                   +0 :              -0.00097791170291
                5s
                   +0 :               0.00040572970513
                3d
                   -2 :              -0.00050347576761
                   -1 :              -0.00078524001072
                   +0 :               0.00060005083687
                   +1 :              -0.00003896394694
                   +2 :               0.00108788998926
                4d
                   -2 :               0.00105636635500
                   -1 :              -0.00065458805055
                   +0 :              -0.00037873487920
                   +1 :               0.00022885037714
                   +2 :               0.00014084527140
                4p
                   -1 :               0.00035971842095
                   +0 :               0.00079075838971
                   +1 :              -0.00092594842981
              4 vec=     5.396321      5.868191     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00014878217243
                3p
                   -1 :              -0.00043967033590
                   +0 :               0.00023621835949
                   +1 :              -0.00053357455793
                4s
                   +0 :              -0.00187587963039
                5s
                   +0 :               0.00072888921240
                3d
                   -2 :               0.00048275217390
                   -1 :              -0.00065711175045
                   +0 :              -0.00021214010992
                   +1 :               0.00088061356958
                   +2 :              -0.00093352691188
                4d
                   -2 :              -0.00095884680090
                   -1 :               0.00139032497827
                   +0 :              -0.00000891382256
                   +1 :               0.00100898366656
                   +2 :              -0.00026735792442
                4p
                   -1 :               0.00067413885901
                   +0 :               0.00145417505322
                   +1 :              -0.00027336299974
              5 vec=   -10.164004     -3.115567     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00065253412423
                3p
                   -1 :              -0.00006842554239
                   +0 :               0.00033521617879
                   +1 :              -0.00060033413500
                4s
                   +0 :              -0.00017257896400
                5s
                   +0 :              -0.00003133221342
                3d
                   -2 :               0.00068428511556
                   -1 :              -0.00026513176017
                   +0 :              -0.00024494428454
                   +1 :              -0.00094801028742
                   +2 :               0.00010980713588
                4d
                   -2 :              -0.00005438422687
                   -1 :              -0.00007154902646
                   +0 :              -0.00000822836874
                   +1 :               0.00045629544140
                   +2 :              -0.00023697978238
                4p
                   -1 :              -0.00028480418023
                   +0 :              -0.00053945601785
                   +1 :               0.00041631478281
              6 vec=    -2.383842     10.360070     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00005447171623
                3p
                   -1 :              -0.00001285876638
                   +0 :              -0.00012454816831
                   +1 :               0.00011684267321
                4s
                   +0 :               0.00052879908790
                5s
                   +0 :              -0.00016214496365
                3d
                   -2 :               0.00046327926535
                   -1 :               0.00030583762920
                   +0 :              -0.00009070732694
                   +1 :               0.00027119269506
                   +2 :               0.00012780222404
                4d
                   -2 :               0.00006136349336
                   -1 :               0.00011536582687
                   +0 :              -0.00006141428419
                   +1 :               0.00002349923425
                   +2 :              -0.00041268389984
                4p
                   -1 :               0.00051968074975
                   +0 :               0.00018475339882
                   +1 :              -0.00004868866733
              7 vec=   -10.164004      5.868191     -2.510723   |vec|=   12.001932
                3s
                   +0 :               0.00007653836433
                3p
                   -1 :               0.00020466609150
                   +0 :               0.00001121053107
                   +1 :               0.00032160274888
                4s
                   +0 :              -0.00141352588386
                5s
                   +0 :               0.00034049502378
                3d
                   -2 :              -0.00019228126360
                   -1 :               0.00006230470890
                   +0 :               0.00020791953855
                   +1 :               0.00018007746214
                   +2 :              -0.00031057150599
                4d
                   -2 :               0.00055125107788
                   -1 :              -0.00014708692954
                   +0 :               0.00006095407028
                   +1 :               0.00020033527607
                   +2 :               0.00027721255577
                4p
                   -1 :              -0.00047835633198
                   +0 :              -0.00059016054813
                   +1 :               0.00004844314206
              8 vec=     5.396321    -12.099325     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00022132842355
                3p
                   -1 :              -0.00011942742757
                   +0 :               0.00014066806451
                   +1 :               0.00007645659041
                4s
                   +0 :              -0.00028583178127
                5s
                   +0 :              -0.00001128038236
                3d
                   -2 :              -0.00016479702411
                   -1 :              -0.00057952531016
                   +0 :              -0.00005538296406
                   +1 :               0.00029607116257
                   +2 :               0.00035205815201
                4d
                   -2 :              -0.00005130718972
                   -1 :               0.00006655799657
                   +0 :              -0.00004207020666
                   +1 :              -0.00006565763567
                   +2 :               0.00002139036862
                4p
                   -1 :               0.00017165865711
                   +0 :               0.00000945405211
                   +1 :               0.00010380992508
              9 vec=    13.176483      1.376312     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00007526207235
                3p
                   -1 :              -0.00005472663949
                   +0 :              -0.00000627032596
                   +1 :              -0.00007631392696
                4s
                   +0 :              -0.00014233808720
                5s
                   +0 :               0.00000673286065
                3d
                   -2 :              -0.00031270650873
                   -1 :               0.00001115549575
                   +0 :              -0.00007182988631
                   +1 :               0.00031396059157
                   +2 :              -0.00023441358213
                4d
                   -2 :              -0.00007003455367
                   -1 :               0.00006396951391
                   +0 :              -0.00003948401953
                   +1 :               0.00013736740335
                   +2 :               0.00014769561387
                4p
                   -1 :              -0.00009949565586
                   +0 :               0.00028046527869
                   +1 :               0.00017720289510
             10 vec=    13.176483     -7.607446     -2.510723   |vec|=   15.420658
                3s
                   +0 :               0.00007656522832
                3p
                   -1 :               0.00003894988404
                   +0 :              -0.00001346195918
                   +1 :               0.00003252737525
                4s
                   +0 :              -0.00013665871094
                5s
                   +0 :               0.00000461919629
                3d
                   -2 :              -0.00005538114305
                   -1 :              -0.00001930297045
                   +0 :               0.00001417581413
                   +1 :               0.00011803611159
                   +2 :               0.00008869730940
                4d
                   -2 :              -0.00005096100997
                   -1 :              -0.00004914030833
                   +0 :               0.00002177961052
                   +1 :               0.00002450548020
                   +2 :              -0.00001732627537
                4p
                   -1 :              -0.00009774596632
                   +0 :               0.00012099143824
                   +1 :              -0.00004105680335
             11 vec=   -10.164004    -12.099325     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00004585554960
                3p
                   -1 :              -0.00001699850025
                   +0 :              -0.00006096489879
                   +1 :               0.00002734721155
                4s
                   +0 :               0.00043402008499
                5s
                   +0 :              -0.00006110199593
                3d
                   -2 :               0.00001048683498
                   -1 :               0.00000429417033
                   +0 :               0.00002609479583
                   +1 :              -0.00016650378468
                   +2 :               0.00014814065263
                4d
                   -2 :               0.00007502638600
                   -1 :              -0.00004153807006
                   +0 :               0.00001064431554
                   +1 :              -0.00004491355202
                   +2 :               0.00001755640782
                4p
                   -1 :              -0.00001561836628
                   +0 :               0.00014561789856
                   +1 :              -0.00020368854518
             12 vec=     5.396321     14.851949     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00002204601364
                3p
                   -1 :               0.00000049414095
                   +0 :               0.00001789534290
                   +1 :              -0.00000217143317
                4s
                   +0 :               0.00025106279810
                5s
                   +0 :              -0.00002952566339
                3d
                   -2 :              -0.00006373448376
                   -1 :               0.00018895195354
                   +0 :               0.00008809390399
                   +1 :              -0.00007619325492
                   +2 :              -0.00013006262604
                4d
                   -2 :               0.00001132747090
                   -1 :               0.00004630150439
                   +0 :              -0.00001367071034
                   +1 :               0.00001859362028
                   +2 :              -0.00003663628630
                4p
                   -1 :               0.00010781527817
                   +0 :              -0.00000067810486
                   +1 :              -0.00000449662338
             13 vec=    -2.383842    -16.591204     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00000557738466
                3p
                   -1 :              -0.00000639496921
                   +0 :               0.00004406464286
                   +1 :              -0.00001746221553
                4s
                   +0 :               0.00008531215460
                5s
                   +0 :               0.00000143795570
                3d
                   -2 :               0.00000003532425
                   -1 :              -0.00012018757450
                   +0 :              -0.00003033989021
                   +1 :               0.00002622065223
                   +2 :               0.00010591293372
                4d
                   -2 :              -0.00000682979595
                   -1 :              -0.00001053502110
                   +0 :               0.00003034599240
                   +1 :              -0.00000657057517
                   +2 :               0.00001283401426
                4p
                   -1 :              -0.00000579120210
                   +0 :              -0.00001581016186
                   +1 :               0.00003618110799
             14 vec=    13.176483     10.360070     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00002029619454
                3p
                   -1 :               0.00002151644717
                   +0 :               0.00000327193686
                   +1 :               0.00003156462215
                4s
                   +0 :               0.00007108527924
                5s
                   +0 :              -0.00001473022507
                3d
                   -2 :              -0.00005515332957
                   -1 :               0.00009420472290
                   +0 :              -0.00002292197885
                   +1 :               0.00007991459127
                   +2 :              -0.00008281015957
                4d
                   -2 :               0.00000513248356
                   -1 :              -0.00000433422080
                   +0 :               0.00001110127507
                   +1 :               0.00002322782600
                   +2 :               0.00002156909263
                4p
                   -1 :              -0.00002702659001
                   +0 :               0.00006678772148
                   +1 :              -0.00001821180741
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al(  4)  npairs=  13
              1 vec=    -2.383842      1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00032579685950
                2p
                   -1 :              -0.00034881655776
                   +0 :              -0.00028291481364
                   +1 :               0.00027535795099
                3s
                   +0 :              -0.00031208937369
                4s
                   +0 :               0.00031017795251
                3p
                   -1 :               0.00103187068103
                   +0 :               0.00268094014449
                   +1 :              -0.00097062276438
                4p
                   -1 :              -0.00013361275791
                   +0 :              -0.00090682876392
                   +1 :               0.00012462135011
                3d
                   -2 :               0.00008701793167
                   -1 :               0.00030616553903
                   +0 :              -0.00054564927903
                   +1 :              -0.00048908418415
                   +2 :              -0.00004779878219
              2 vec=     5.396321     -3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00078474918269
                2p
                   -1 :              -0.00000514887731
                   +0 :              -0.00017123430048
                   +1 :               0.00009661802340
                3s
                   +0 :              -0.00302983484579
                4s
                   +0 :               0.00110009540222
                3p
                   -1 :              -0.00007175513362
                   +0 :               0.00127849998309
                   +1 :              -0.00056372804406
                4p
                   -1 :               0.00012626898675
                   +0 :              -0.00044017697981
                   +1 :               0.00018834531101
                3d
                   -2 :              -0.00024793330338
                   -1 :              -0.00006382328965
                   +0 :              -0.00013275401269
                   +1 :               0.00000582955128
                   +2 :               0.00017435104383
              3 vec=    -2.383842     -7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00023722779205
                2p
                   -1 :              -0.00000501131393
                   +0 :               0.00004765629378
                   +1 :               0.00008323860183
                3s
                   +0 :              -0.00325350248666
                4s
                   +0 :               0.00005707238036
                3p
                   -1 :               0.00181246850440
                   +0 :              -0.00008168937742
                   +1 :              -0.00020946045136
                4p
                   -1 :               0.00012576807625
                   +0 :               0.00009013865884
                   +1 :               0.00019175238287
                3d
                   -2 :              -0.00006676571077
                   -1 :               0.00005924912611
                   +0 :               0.00042244375692
                   +1 :              -0.00010453321043
                   +2 :               0.00053515023602
              4 vec=     5.396321      5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00005409093046
                2p
                   -1 :              -0.00016463413776
                   +0 :               0.00011963588653
                   +1 :              -0.00021792852970
                3s
                   +0 :              -0.00297203503837
                4s
                   +0 :               0.00012510063674
                3p
                   -1 :              -0.00010437187301
                   +0 :              -0.00003486343032
                   +1 :              -0.00159345548934
                4p
                   -1 :              -0.00011606366272
                   +0 :              -0.00004829639424
                   +1 :              -0.00009739065559
                3d
                   -2 :              -0.00031410794113
                   -1 :              -0.00018007884336
                   +0 :               0.00047510492307
                   +1 :              -0.00003973263213
                   +2 :              -0.00062312082718
              5 vec=   -10.164004     -3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00013147176825
                2p
                   -1 :              -0.00013804844197
                   +0 :              -0.00003191899533
                   +1 :              -0.00011530852636
                3s
                   +0 :              -0.00032551441651
                4s
                   +0 :               0.00013771057809
                3p
                   -1 :               0.00045696802944
                   +0 :               0.00005419901853
                   +1 :               0.00069262613974
                4p
                   -1 :              -0.00012894957858
                   +0 :              -0.00001392487355
                   +1 :              -0.00015630482302
                3d
                   -2 :              -0.00009156348016
                   -1 :              -0.00010647896516
                   +0 :               0.00006034056233
                   +1 :              -0.00005601018066
                   +2 :               0.00002873146384
              6 vec=    -2.383842     10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00000000679858
                2p
                   -1 :               0.00001009710003
                   +0 :              -0.00001932986726
                   +1 :               0.00010049321986
                3s
                   +0 :               0.00044968651748
                4s
                   +0 :              -0.00011208492240
                3p
                   -1 :               0.00007869562557
                   +0 :               0.00014275025733
                   +1 :              -0.00028495687773
                4p
                   -1 :              -0.00006881059022
                   +0 :              -0.00000146189787
                   +1 :               0.00008853825209
                3d
                   -2 :              -0.00010650712546
                   -1 :               0.00008468286288
                   +0 :              -0.00008403702362
                   +1 :              -0.00000597182108
                   +2 :               0.00006472227096
              7 vec=    -2.383842      1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00003131742879
                2p
                   -1 :               0.00014089894647
                   +0 :               0.00001882025604
                   +1 :               0.00002355866809
                3s
                   +0 :               0.00021727793908
                4s
                   +0 :              -0.00006163358789
                3p
                   -1 :              -0.00079129499957
                   +0 :               0.00013887978691
                   +1 :              -0.00002831076099
                4p
                   -1 :               0.00017782864461
                   +0 :              -0.00006593901544
                   +1 :               0.00006098570878
                3d
                   -2 :              -0.00002155221533
                   -1 :              -0.00010971691603
                   +0 :               0.00004163727142
                   +1 :               0.00005808146008
                   +2 :              -0.00001371342394
              8 vec=   -10.164004      5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00044672380857
                2p
                   -1 :              -0.00013862221929
                   +0 :               0.00010171513926
                   +1 :               0.00005502738404
                3s
                   +0 :               0.00430719585340
                4s
                   +0 :              -0.00042262257867
                3p
                   -1 :               0.00177402144432
                   +0 :              -0.00040492075270
                   +1 :              -0.00137039651744
                4p
                   -1 :              -0.00017895414520
                   +0 :               0.00029322895680
                   +1 :              -0.00000017285241
                3d
                   -2 :              -0.00058674410348
                   -1 :              -0.00004293245265
                   +0 :              -0.00041677979430
                   +1 :              -0.00015367990237
                   +2 :              -0.00005023748877
              9 vec=     5.396321     -3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00005261409918
                2p
                   -1 :               0.00001475658467
                   +0 :               0.00000097040483
                   +1 :               0.00002194378134
                3s
                   +0 :               0.00036631249975
                4s
                   +0 :              -0.00003964883624
                3p
                   -1 :               0.00013040318487
                   +0 :              -0.00007496479876
                   +1 :              -0.00027034823555
                4p
                   -1 :              -0.00003873025466
                   +0 :               0.00005740293244
                   +1 :               0.00004546675223
                3d
                   -2 :              -0.00000266410304
                   -1 :               0.00002049732386
                   +0 :               0.00001250197658
                   +1 :              -0.00008039910588
                   +2 :               0.00001689904753
             10 vec=     5.396321    -12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00011131985271
                2p
                   -1 :              -0.00006332064362
                   +0 :               0.00000103311851
                   +1 :               0.00002524460438
                3s
                   +0 :              -0.00059319565461
                4s
                   +0 :               0.00014057332894
                3p
                   -1 :               0.00031579126506
                   +0 :              -0.00001243300083
                   +1 :              -0.00018486492777
                4p
                   -1 :              -0.00007621777644
                   +0 :               0.00000047673117
                   +1 :               0.00006381113837
                3d
                   -2 :              -0.00002025091495
                   -1 :               0.00002706006496
                   +0 :               0.00000451549504
                   +1 :              -0.00000072461412
                   +2 :               0.00001811145330
             11 vec=    13.176483      1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00008083643455
                2p
                   -1 :               0.00001535457814
                   +0 :               0.00000180197994
                   +1 :               0.00000655487890
                3s
                   +0 :              -0.00052651402933
                4s
                   +0 :               0.00009259398188
                3p
                   -1 :              -0.00013424833634
                   +0 :               0.00006447479164
                   +1 :              -0.00005551433991
                4p
                   -1 :               0.00001341650625
                   +0 :              -0.00000830477578
                   +1 :               0.00000784126519
                3d
                   -2 :              -0.00003739014449
                   -1 :               0.00005617942434
                   +0 :              -0.00002195171832
                   +1 :               0.00001502515787
                   +2 :               0.00002756378207
             12 vec=    -2.383842     -7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00002513581320
                2p
                   -1 :              -0.00001644436129
                   +0 :               0.00001243132696
                   +1 :              -0.00001295407008
                3s
                   +0 :               0.00047395484682
                4s
                   +0 :              -0.00006381102264
                3p
                   -1 :              -0.00002186749791
                   +0 :               0.00005687984744
                   +1 :              -0.00021762420722
                4p
                   -1 :              -0.00003906459786
                   +0 :              -0.00001059609070
                   +1 :               0.00001540912557
                3d
                   -2 :               0.00002603617277
                   -1 :               0.00002106238486
                   +0 :              -0.00007329302695
                   +1 :              -0.00005888638303
                   +2 :               0.00010328279615
             13 vec=     5.396321      5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00015169126140
                2p
                   -1 :               0.00000959715572
                   +0 :              -0.00003079400713
                   +1 :              -0.00004498721316
                3s
                   +0 :               0.00081415102300
                4s
                   +0 :              -0.00019432311286
                3p
                   -1 :               0.00037867977822
                   +0 :               0.00023672407322
                   +1 :               0.00014770091737
                4p
                   -1 :              -0.00003385304123
                   +0 :              -0.00003893826767
                   +1 :              -0.00006584990003
                3d
                   -2 :               0.00004775296306
                   -1 :               0.00007853521267
                   +0 :              -0.00006149762304
                   +1 :              -0.00000087792077
                   +2 :              -0.00015373916409
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al(  5)  npairs=  15
              1 vec=     2.802933      1.376312     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00076875976841
                2p
                   -1 :               0.00011229634095
                   +0 :               0.00043192841598
                   +1 :               0.00046329931203
                3s
                   +0 :              -0.00032083677187
                4s
                   +0 :               0.00015330990036
                3p
                   -1 :              -0.00165680846694
                   +0 :              -0.00060326523614
                   +1 :              -0.00298960688464
                4p
                   -1 :               0.00041888044756
                   +0 :               0.00014809359068
                   +1 :               0.00047585822210
                3d
                   -2 :              -0.00020586189715
                   -1 :              -0.00024174370774
                   +0 :               0.00016373430275
                   +1 :              -0.00038005374817
                   +2 :               0.00003798291180
              2 vec=    -4.977229     -3.115567     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00002615539879
                2p
                   -1 :              -0.00009646284607
                   +0 :               0.00006087329640
                   +1 :               0.00006039517390
                3s
                   +0 :               0.00033996375676
                4s
                   +0 :              -0.00010035635450
                3p
                   -1 :               0.00064755360300
                   +0 :              -0.00048301426525
                   +1 :              -0.00083551467256
                4p
                   -1 :              -0.00001494596773
                   +0 :              -0.00001721975447
                   +1 :               0.00002023177182
                3d
                   -2 :              -0.00064945641378
                   -1 :               0.00032832932645
                   +0 :              -0.00046415519052
                   +1 :               0.00008296867094
                   +2 :              -0.00000472006256
              3 vec=    -4.977229      5.868191     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00019994044289
                2p
                   -1 :              -0.00002927917883
                   +0 :              -0.00000346686937
                   +1 :              -0.00015653076811
                3s
                   +0 :               0.00216720504180
                4s
                   +0 :              -0.00022288039514
                3p
                   -1 :               0.00111482714692
                   +0 :               0.00120356474833
                   +1 :              -0.00043698742085
                4p
                   -1 :              -0.00016299785144
                   +0 :              -0.00006984586176
                   +1 :              -0.00012838759429
                3d
                   -2 :              -0.00017409180043
                   -1 :               0.00029924877803
                   +0 :               0.00022521246648
                   +1 :              -0.00022514297768
                   +2 :               0.00006097437301
              4 vec=     2.802933     -7.607446     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00044580719808
                2p
                   -1 :               0.00004375337843
                   +0 :              -0.00001667230345
                   +1 :              -0.00004900795802
                3s
                   +0 :               0.00444248568678
                4s
                   +0 :              -0.00076102724224
                3p
                   -1 :              -0.00230327453308
                   +0 :               0.00176240043609
                   +1 :               0.00040697712021
                4p
                   -1 :               0.00020187793413
                   +0 :              -0.00015340663342
                   +1 :              -0.00018877541811
                3d
                   -2 :              -0.00010955736787
                   -1 :              -0.00069605065018
                   +0 :               0.00030307894308
                   +1 :              -0.00001454169754
                   +2 :              -0.00053450478010
              5 vec=     2.802933      1.376312    -13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00002825493485
                2p
                   -1 :              -0.00014425558281
                   +0 :              -0.00001507668735
                   +1 :              -0.00003471519602
                3s
                   +0 :              -0.00030031336972
                4s
                   +0 :               0.00018198218759
                3p
                   -1 :               0.00065447783325
                   +0 :               0.00005202000425
                   +1 :               0.00039022877984
                4p
                   -1 :              -0.00015182268142
                   +0 :              -0.00006072087097
                   +1 :              -0.00004938052297
                3d
                   -2 :               0.00002928483674
                   -1 :              -0.00014076288658
                   +0 :               0.00001176385579
                   +1 :              -0.00003016468670
                   +2 :              -0.00001749358498
              6 vec=    -4.977229     -3.115567    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00020456372431
                2p
                   -1 :              -0.00006244903133
                   +0 :              -0.00006772014247
                   +1 :              -0.00017771938761
                3s
                   +0 :              -0.00084855854136
                4s
                   +0 :               0.00018738634484
                3p
                   -1 :               0.00006033145537
                   +0 :               0.00041455562395
                   +1 :               0.00082651189686
                4p
                   -1 :               0.00004957075081
                   +0 :              -0.00012227209986
                   +1 :              -0.00014296761191
                3d
                   -2 :              -0.00010328745831
                   -1 :              -0.00004213246418
                   +0 :               0.00001754169895
                   +1 :              -0.00006750739553
                   +2 :              -0.00004059419784
              7 vec=     2.802933     10.360070     10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00010323924032
                2p
                   -1 :               0.00004451209272
                   +0 :               0.00005144012235
                   +1 :               0.00004993575184
                3s
                   +0 :              -0.00079348465386
                4s
                   +0 :               0.00018180741024
                3p
                   -1 :              -0.00044963162665
                   +0 :              -0.00051878398785
                   +1 :              -0.00036104639592
                4p
                   -1 :               0.00012330929515
                   +0 :               0.00009573523976
                   +1 :               0.00003416015912
                3d
                   -2 :              -0.00006872194795
                   -1 :              -0.00012039830452
                   +0 :               0.00002071039493
                   +1 :              -0.00005336657179
                   +2 :               0.00005468783002
              8 vec=    10.583096     -3.115567     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00016202599959
                2p
                   -1 :              -0.00003512680795
                   +0 :               0.00000410623596
                   +1 :              -0.00003602327431
                3s
                   +0 :               0.00068774680461
                4s
                   +0 :              -0.00004548082749
                3p
                   -1 :               0.00028518321360
                   +0 :              -0.00007357465960
                   +1 :               0.00016803395828
                4p
                   -1 :              -0.00007503730825
                   +0 :               0.00008845003103
                   +1 :               0.00001516475140
                3d
                   -2 :               0.00008102780002
                   -1 :               0.00003203038337
                   +0 :               0.00001041657225
                   +1 :               0.00000586381879
                   +2 :              -0.00001371090317
              9 vec=    -4.977229      5.868191    -13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00011576807185
                2p
                   -1 :              -0.00005978247147
                   +0 :               0.00003548008706
                   +1 :              -0.00002958660629
                3s
                   +0 :               0.00068628657322
                4s
                   +0 :              -0.00016768592315
                3p
                   -1 :               0.00002444013797
                   +0 :              -0.00028780576617
                   +1 :               0.00031213807320
                4p
                   -1 :              -0.00002670180026
                   +0 :               0.00008222817301
                   +1 :              -0.00005512088088
                3d
                   -2 :              -0.00003220246480
                   -1 :              -0.00004066751858
                   +0 :              -0.00000233563270
                   +1 :              -0.00005510365585
                   +2 :               0.00000728921557
             10 vec=     2.802933     -7.607446    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00000864997042
                2p
                   -1 :              -0.00000397849563
                   +0 :               0.00000311912691
                   +1 :              -0.00004941637902
                3s
                   +0 :              -0.00091176093746
                4s
                   +0 :               0.00008584608540
                3p
                   -1 :               0.00024895224458
                   +0 :               0.00025902526207
                   +1 :              -0.00025711025439
                4p
                   -1 :              -0.00001252100767
                   +0 :              -0.00011200616615
                   +1 :              -0.00005552730479
                3d
                   -2 :               0.00011653992060
                   -1 :              -0.00002088204858
                   +0 :               0.00001094657520
                   +1 :              -0.00002792591887
                   +2 :              -0.00002645119570
             11 vec=    10.583096      5.868191     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00022082021268
                2p
                   -1 :               0.00003282155122
                   +0 :               0.00008099850393
                   +1 :               0.00008481715493
                3s
                   +0 :              -0.00064100449868
                4s
                   +0 :               0.00032493087677
                3p
                   -1 :              -0.00012643538799
                   +0 :              -0.00031530695851
                   +1 :              -0.00035192082139
                4p
                   -1 :               0.00005043401171
                   +0 :               0.00014592236071
                   +1 :               0.00009643606306
                3d
                   -2 :              -0.00001964167940
                   -1 :              -0.00001685337857
                   +0 :              -0.00001241230663
                   +1 :              -0.00004352467982
                   +2 :              -0.00003134393816
             12 vec=   -12.757392      1.376312     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00016284453423
                2p
                   -1 :              -0.00001540479774
                   +0 :               0.00005399497317
                   +1 :              -0.00005039284952
                3s
                   +0 :              -0.00107234510242
                4s
                   +0 :               0.00020767327354
                3p
                   -1 :              -0.00006592028699
                   +0 :              -0.00050961153367
                   +1 :               0.00054895051112
                4p
                   -1 :               0.00000621317747
                   +0 :               0.00007943320382
                   +1 :              -0.00008413325573
                3d
                   -2 :              -0.00000687497018
                   -1 :              -0.00003374917981
                   +0 :              -0.00007331435767
                   +1 :               0.00014136702760
                   +2 :              -0.00007631456527
             13 vec=    -4.977229    -12.099325     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00000780597028
                2p
                   -1 :              -0.00000657064211
                   +0 :               0.00000182864145
                   +1 :              -0.00000310741019
                3s
                   +0 :              -0.00004274746615
                4s
                   +0 :               0.00002524736170
                3p
                   -1 :               0.00014068521426
                   +0 :              -0.00005897767128
                   +1 :               0.00005368131325
                4p
                   -1 :              -0.00004254045300
                   +0 :               0.00001723704736
                   +1 :              -0.00001944268930
                3d
                   -2 :              -0.00001900295417
                   -1 :               0.00001637056174
                   +0 :               0.00001146695215
                   +1 :               0.00002890842315
                   +2 :               0.00002873458886
             14 vec=     2.802933     10.360070    -13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00002883805427
                2p
                   -1 :              -0.00003118009909
                   +0 :               0.00000589978191
                   +1 :              -0.00000801092117
                3s
                   +0 :              -0.00093331884352
                4s
                   +0 :               0.00002474813785
                3p
                   -1 :              -0.00051453176846
                   +0 :               0.00014159130104
                   +1 :               0.00018816793721
                4p
                   -1 :              -0.00002659601304
                   +0 :              -0.00002316533059
                   +1 :              -0.00002662661644
                3d
                   -2 :               0.00004891251948
                   -1 :               0.00003978865222
                   +0 :               0.00009562190450
                   +1 :              -0.00002291514348
                   +2 :               0.00015234473175
             15 vec=    10.583096     -3.115567    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00002254779531
                2p
                   -1 :              -0.00000330636100
                   +0 :              -0.00000215283722
                   +1 :              -0.00000243502358
                3s
                   +0 :              -0.00043308398574
                4s
                   +0 :               0.00005789325097
                3p
                   -1 :               0.00006112253970
                   +0 :               0.00010238291025
                   +1 :              -0.00020637672144
                4p
                   -1 :              -0.00001042166005
                   +0 :              -0.00002742846342
                   +1 :               0.00000885722250
                3d
                   -2 :               0.00000431422644
                   -1 :              -0.00000476149251
                   +0 :               0.00002051722998
                   +1 :               0.00004025330999
                   +2 :              -0.00004320655593
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al(  6)  npairs=  13
              1 vec=     2.802933      1.376312     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00286107922839
                2p
                   -1 :               0.00078782241193
                   +0 :              -0.00182034920104
                   +1 :               0.00139496060635
                3s
                   +0 :              -0.01519188076722
                4s
                   +0 :               0.00390160829143
                3p
                   -1 :              -0.00048772564347
                   +0 :               0.00510590124530
                   +1 :              -0.00443582688073
                4p
                   -1 :               0.00051939901891
                   +0 :              -0.00252993272005
                   +1 :               0.00112004855847
                3d
                   -2 :               0.00254307133843
                   -1 :              -0.00171770229490
                   +0 :               0.00119453913227
                   +1 :              -0.00126729933014
                   +2 :               0.00194007645036
              2 vec=    -4.977229     -3.115567     -6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00001001033834
                2p
                   -1 :               0.00057566801225
                   +0 :               0.00044109607667
                   +1 :               0.00018452270243
                3s
                   +0 :              -0.00915633656876
                4s
                   +0 :              -0.00133120124253
                3p
                   -1 :              -0.00100625497665
                   +0 :               0.00342462544900
                   +1 :               0.00666614370948
                4p
                   -1 :               0.00112692423065
                   +0 :               0.00131394697425
                   +1 :               0.00048108779623
                3d
                   -2 :              -0.00100308016406
                   -1 :              -0.00046006711201
                   +0 :               0.00001092314666
                   +1 :              -0.00303106947246
                   +2 :              -0.00187569919957
              3 vec=    -4.977229      5.868191     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00119791449206
                2p
                   -1 :              -0.00009612983236
                   +0 :               0.00021350579242
                   +1 :              -0.00045838166213
                3s
                   +0 :               0.00954806573777
                4s
                   +0 :               0.00030484360629
                3p
                   -1 :               0.00326741280631
                   +0 :              -0.00412817583532
                   +1 :               0.00543471684903
                4p
                   -1 :               0.00026274467006
                   +0 :              -0.00028488966599
                   +1 :              -0.00077074752350
                3d
                   -2 :               0.00222985089402
                   -1 :              -0.00097128486654
                   +0 :              -0.00017504273642
                   +1 :              -0.00162613754439
                   +2 :              -0.00033024618246
              4 vec=     2.802933     -7.607446     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00015182070091
                2p
                   -1 :              -0.00006946424238
                   +0 :               0.00022509992910
                   +1 :               0.00007776262625
                3s
                   +0 :              -0.00224792780278
                4s
                   +0 :               0.00036987607475
                3p
                   -1 :               0.00112198493352
                   +0 :              -0.00093853220792
                   +1 :              -0.00119105235563
                4p
                   -1 :              -0.00043730090360
                   +0 :               0.00040591600208
                   +1 :               0.00026798741671
                3d
                   -2 :               0.00021975246386
                   -1 :               0.00005266809135
                   +0 :              -0.00032016938146
                   +1 :               0.00024890815140
                   +2 :               0.00015092777624
              5 vec=     2.802933     10.360070     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00001904870207
                2p
                   -1 :              -0.00006270375345
                   +0 :              -0.00004527455570
                   +1 :              -0.00002837027172
                3s
                   +0 :              -0.00008061891359
                4s
                   +0 :              -0.00024731111543
                3p
                   -1 :               0.00064432318544
                   +0 :               0.00034715260358
                   +1 :               0.00040900083133
                4p
                   -1 :              -0.00027265868841
                   +0 :               0.00008664551190
                   +1 :              -0.00012597208698
                3d
                   -2 :               0.00018842072871
                   -1 :               0.00009010739156
                   +0 :              -0.00031606934736
                   +1 :              -0.00002105429236
                   +2 :              -0.00009590774504
              6 vec=    10.583096     -3.115567     -6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00003495628732
                2p
                   -1 :               0.00000555913118
                   +0 :              -0.00006023537504
                   +1 :               0.00000718790433
                3s
                   +0 :              -0.00046769359862
                4s
                   +0 :               0.00023085603372
                3p
                   -1 :               0.00004050082396
                   +0 :               0.00041341856828
                   +1 :              -0.00009310102405
                4p
                   -1 :               0.00001844372000
                   +0 :              -0.00014015611265
                   +1 :               0.00010283742587
                3d
                   -2 :              -0.00008800718015
                   -1 :               0.00002939891840
                   +0 :              -0.00016375290015
                   +1 :               0.00009386806959
                   +2 :              -0.00002208975209
              7 vec=    10.583096      5.868191     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00006552188792
                2p
                   -1 :              -0.00010829877075
                   +0 :              -0.00000653486237
                   +1 :               0.00005842467858
                3s
                   +0 :              -0.00032258521309
                4s
                   +0 :              -0.00004575543124
                3p
                   -1 :               0.00054302798294
                   +0 :              -0.00020437649600
                   +1 :              -0.00024486335346
                4p
                   -1 :              -0.00015578866415
                   +0 :               0.00007062136646
                   +1 :               0.00000344098609
                3d
                   -2 :               0.00001181626472
                   -1 :              -0.00012745133564
                   +0 :              -0.00003306834105
                   +1 :              -0.00002497674206
                   +2 :               0.00004115558233
              8 vec=   -12.757392      1.376312     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00037309262914
                2p
                   -1 :               0.00002688564395
                   +0 :               0.00003770691351
                   +1 :               0.00005876072165
                3s
                   +0 :               0.00177108785923
                4s
                   +0 :              -0.00015764236476
                3p
                   -1 :              -0.00046503948354
                   +0 :              -0.00055601759875
                   +1 :              -0.00001562240421
                4p
                   -1 :               0.00001418404175
                   +0 :              -0.00004476285243
                   +1 :              -0.00013926391828
                3d
                   -2 :               0.00007349823823
                   -1 :               0.00016918884039
                   +0 :               0.00040298707573
                   +1 :               0.00012855511835
                   +2 :              -0.00010493346183
              9 vec=    -4.977229    -12.099325     -6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00003627426109
                2p
                   -1 :               0.00004309186859
                   +0 :               0.00001183315631
                   +1 :               0.00000219914752
                3s
                   +0 :              -0.00063216273247
                4s
                   +0 :               0.00011571582861
                3p
                   -1 :              -0.00014711104361
                   +0 :               0.00007888462397
                   +1 :              -0.00004972858971
                4p
                   -1 :               0.00003939283992
                   +0 :               0.00000489690591
                   +1 :               0.00002223750339
                3d
                   -2 :               0.00003365717347
                   -1 :               0.00000692477833
                   +0 :              -0.00002750934394
                   +1 :              -0.00003049810487
                   +2 :              -0.00009571000692
             10 vec=   -12.757392     -7.607446     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00021824643115
                2p
                   -1 :              -0.00005125728725
                   +0 :              -0.00007837205168
                   +1 :              -0.00006197369212
                3s
                   +0 :              -0.00101162258319
                4s
                   +0 :               0.00020772452525
                3p
                   -1 :               0.00031025063478
                   +0 :               0.00053080861556
                   +1 :               0.00041135763394
                4p
                   -1 :              -0.00006668654022
                   +0 :              -0.00008524857077
                   +1 :              -0.00004394783088
                3d
                   -2 :              -0.00007114176967
                   -1 :              -0.00010850263291
                   +0 :              -0.00007225218663
                   +1 :              -0.00009979644477
                   +2 :              -0.00001827769028
             11 vec=    -4.977229     14.851949     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00000645368260
                2p
                   -1 :              -0.00000024572237
                   +0 :              -0.00002962489943
                   +1 :              -0.00001853946354
                3s
                   +0 :               0.00022745945202
                4s
                   +0 :               0.00000683629222
                3p
                   -1 :               0.00010726374850
                   +0 :               0.00010372622168
                   +1 :               0.00008874813070
                4p
                   -1 :              -0.00002850256413
                   +0 :              -0.00007101901747
                   +1 :              -0.00005304463372
                3d
                   -2 :              -0.00002084372838
                   -1 :              -0.00002911905234
                   +0 :               0.00002360255640
                   +1 :               0.00006626993838
                   +2 :              -0.00002303338503
             12 vec=    10.583096    -12.099325     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00000409144547
                2p
                   -1 :               0.00001754456254
                   +0 :              -0.00001037943590
                   +1 :               0.00000665683317
                3s
                   +0 :              -0.00003416231358
                4s
                   +0 :              -0.00001867915149
                3p
                   -1 :              -0.00010521785453
                   +0 :               0.00001563964790
                   +1 :              -0.00003724998594
                4p
                   -1 :               0.00003621024684
                   +0 :               0.00000767790901
                   +1 :               0.00000065504517
                3d
                   -2 :              -0.00001179900574
                   -1 :              -0.00001439978851
                   +0 :              -0.00003375815329
                   +1 :               0.00001387085034
                   +2 :              -0.00002123458587
             13 vec=   -12.757392     10.360070     -6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00001010195527
                2p
                   -1 :               0.00002352337402
                   +0 :              -0.00001586863983
                   +1 :               0.00003326809578
                3s
                   +0 :               0.00045713239302
                4s
                   +0 :              -0.00004176148808
                3p
                   -1 :              -0.00020296188551
                   +0 :               0.00011251548291
                   +1 :              -0.00032094703352
                4p
                   -1 :               0.00001118265115
                   +0 :              -0.00004152642861
                   +1 :               0.00003536893241
                3d
                   -2 :              -0.00003191432719
                   -1 :               0.00003267456485
                   +0 :              -0.00001494749280
                   +1 :               0.00006292423912
                   +2 :               0.00004291498545
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al(  7)  npairs=  14
              1 vec=     2.802933      1.376312      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00515822360498
                2p
                   -1 :              -0.00073905679831
                   +0 :              -0.00317902680176
                   +1 :              -0.00246634397479
                3s
                   +0 :               0.01428109870632
                4s
                   +0 :              -0.00874395013560
                3p
                   -1 :               0.00504695079407
                   +0 :               0.01501121357042
                   +1 :               0.00798289999461
                4p
                   -1 :              -0.00208911804000
                   +0 :              -0.00654892041868
                   +1 :              -0.00402559820738
                3d
                   -2 :              -0.00077780865016
                   -1 :               0.00026434614004
                   +0 :               0.00273261956104
                   +1 :               0.00133286913844
                   +2 :              -0.00123104558727
              2 vec=    -4.977229     -3.115567      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00164324696202
                2p
                   -1 :              -0.00089375972789
                   +0 :               0.00064372474881
                   +1 :              -0.00123031535901
                3s
                   +0 :               0.01111568639564
                4s
                   +0 :               0.00183114515052
                3p
                   -1 :               0.00011721706161
                   +0 :              -0.00020495529461
                   +1 :              -0.00946732347210
                4p
                   -1 :              -0.00179294555496
                   +0 :               0.00065639375104
                   +1 :              -0.00084423999692
                3d
                   -2 :               0.00222261584417
                   -1 :               0.00000316929174
                   +0 :              -0.00250233373472
                   +1 :              -0.00066398057247
                   +2 :               0.00300194430334
              3 vec=    -4.977229      5.868191      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00067985610152
                2p
                   -1 :               0.00025568149658
                   +0 :               0.00019276612437
                   +1 :               0.00096459322309
                3s
                   +0 :              -0.00339012931745
                4s
                   +0 :               0.00061126179023
                3p
                   -1 :              -0.00166570071137
                   +0 :              -0.00178786481876
                   +1 :              -0.00359043219548
                4p
                   -1 :               0.00027111137431
                   +0 :               0.00051845152034
                   +1 :               0.00073009027378
                3d
                   -2 :              -0.00096083478620
                   -1 :              -0.00007526756795
                   +0 :               0.00004262774654
                   +1 :              -0.00083173842966
                   +2 :              -0.00012364571438
              4 vec=     2.802933     -7.607446      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00014926958511
                2p
                   -1 :              -0.00027519380241
                   +0 :              -0.00037450456963
                   +1 :               0.00008696214228
                3s
                   +0 :               0.00052798087437
                4s
                   +0 :               0.00015451130569
                3p
                   -1 :               0.00124526819524
                   +0 :               0.00242720413464
                   +1 :              -0.00060471785245
                4p
                   -1 :              -0.00078528200378
                   +0 :              -0.00070212998321
                   +1 :               0.00024796585557
                3d
                   -2 :               0.00030633019378
                   -1 :              -0.00041513418713
                   +0 :               0.00018843611840
                   +1 :               0.00012058068114
                   +2 :              -0.00039925328185
              5 vec=     2.802933     10.360070      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00051918863988
                2p
                   -1 :               0.00028205986929
                   +0 :               0.00016375761691
                   +1 :              -0.00010554277872
                3s
                   +0 :              -0.00140427957810
                4s
                   +0 :               0.00044317989930
                3p
                   -1 :              -0.00138741738759
                   +0 :               0.00000861187771
                   +1 :              -0.00006186472115
                4p
                   -1 :               0.00029937180312
                   +0 :               0.00014349122124
                   +1 :              -0.00008761887173
                3d
                   -2 :              -0.00016732147752
                   -1 :               0.00000707594868
                   +0 :               0.00034116414969
                   +1 :              -0.00007766065452
                   +2 :               0.00016136441602
              6 vec=    10.583096     -3.115567      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00039335887284
                2p
                   -1 :              -0.00012820042383
                   +0 :               0.00017424088205
                   +1 :               0.00021113542521
                3s
                   +0 :              -0.00068311895118
                4s
                   +0 :               0.00015203485781
                3p
                   -1 :               0.00044612766972
                   +0 :              -0.00052098788808
                   +1 :              -0.00108884387535
                4p
                   -1 :              -0.00014182912273
                   +0 :               0.00011629102258
                   +1 :               0.00006744284848
                3d
                   -2 :               0.00025995548890
                   -1 :               0.00010068510678
                   +0 :               0.00015402882177
                   +1 :              -0.00041305286577
                   +2 :              -0.00031064727192
              7 vec=    10.583096      5.868191      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00016744105634
                2p
                   -1 :              -0.00010725673239
                   +0 :              -0.00000776624836
                   +1 :              -0.00006305052128
                3s
                   +0 :               0.00114258252655
                4s
                   +0 :              -0.00024267453754
                3p
                   -1 :               0.00073954833135
                   +0 :              -0.00007517228864
                   +1 :               0.00051941763452
                4p
                   -1 :              -0.00016799932981
                   +0 :               0.00005235864794
                   +1 :              -0.00010952186126
                3d
                   -2 :               0.00016833142235
                   -1 :               0.00003181020945
                   +0 :               0.00004858285678
                   +1 :              -0.00002429967564
                   +2 :              -0.00011021827050
              8 vec=   -12.757392      1.376312      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00042157155699
                2p
                   -1 :              -0.00017131402947
                   +0 :               0.00004338645656
                   +1 :              -0.00024438345364
                3s
                   +0 :              -0.00120483229934
                4s
                   +0 :               0.00020611041901
                3p
                   -1 :               0.00087984867718
                   +0 :              -0.00029825925266
                   +1 :               0.00082922435282
                4p
                   -1 :              -0.00017768079006
                   +0 :               0.00008106814179
                   +1 :              -0.00002894530358
                3d
                   -2 :              -0.00020864572279
                   -1 :               0.00009715572540
                   +0 :               0.00006634432999
                   +1 :               0.00014438091134
                   +2 :              -0.00014239967768
              9 vec=    -4.977229    -12.099325      5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00004571264575
                2p
                   -1 :               0.00006182283189
                   +0 :               0.00000188529235
                   +1 :              -0.00001237609688
                3s
                   +0 :              -0.00027471431362
                4s
                   +0 :               0.00010174208064
                3p
                   -1 :              -0.00027460911593
                   +0 :              -0.00016357208545
                   +1 :               0.00016191211233
                4p
                   -1 :               0.00002164699142
                   +0 :               0.00005856975759
                   +1 :              -0.00002786453922
                3d
                   -2 :               0.00008000726910
                   -1 :              -0.00005617154927
                   +0 :               0.00002224857676
                   +1 :               0.00002731192977
                   +2 :              -0.00011637373765
             10 vec=   -12.757392     -7.607446      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00009007648929
                2p
                   -1 :              -0.00001119413204
                   +0 :               0.00000040249520
                   +1 :              -0.00001593162221
                3s
                   +0 :              -0.00048602802232
                4s
                   +0 :               0.00008659184886
                3p
                   -1 :              -0.00000612473885
                   +0 :              -0.00008660984489
                   +1 :               0.00020069247342
                4p
                   -1 :               0.00000075669031
                   +0 :               0.00000503934475
                   +1 :              -0.00002936903372
                3d
                   -2 :               0.00000421925403
                   -1 :              -0.00001295303611
                   +0 :              -0.00003504924390
                   +1 :               0.00003760986825
                   +2 :              -0.00002365637245
             11 vec=    -4.977229     14.851949      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00002224971372
                2p
                   -1 :               0.00000512819225
                   +0 :              -0.00000124962065
                   +1 :              -0.00001306078615
                3s
                   +0 :               0.00008130731910
                4s
                   +0 :              -0.00000099228236
                3p
                   -1 :               0.00004788047042
                   +0 :               0.00010011779513
                   +1 :               0.00012075626478
                4p
                   -1 :               0.00001719420571
                   +0 :              -0.00001893079091
                   +1 :              -0.00001972131751
                3d
                   -2 :               0.00004423108808
                   -1 :               0.00005228569567
                   +0 :               0.00000289666783
                   +1 :               0.00005016880017
                   +2 :               0.00001014532611
             12 vec=    10.583096    -12.099325      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00002466115562
                2p
                   -1 :              -0.00002964089179
                   +0 :               0.00001275319820
                   +1 :               0.00005540004009
                3s
                   +0 :               0.00026983483697
                4s
                   +0 :               0.00004254512286
                3p
                   -1 :               0.00010727859004
                   +0 :               0.00010070604911
                   +1 :              -0.00010444952871
                4p
                   -1 :              -0.00005128931669
                   +0 :              -0.00001537225827
                   +1 :               0.00006462830606
                3d
                   -2 :               0.00004508954867
                   -1 :               0.00001038195845
                   +0 :               0.00003955344824
                   +1 :               0.00000328050105
                   +2 :               0.00001490671025
             13 vec=   -12.757392     10.360070      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00002209195511
                2p
                   -1 :               0.00001631482563
                   +0 :              -0.00000034825811
                   +1 :               0.00001941524169
                3s
                   +0 :               0.00000347383770
                4s
                   +0 :              -0.00004103803023
                3p
                   -1 :              -0.00002652642265
                   +0 :               0.00009819565819
                   +1 :              -0.00009718337254
                4p
                   -1 :               0.00000052875640
                   +0 :              -0.00004421686233
                   +1 :               0.00006061768008
                3d
                   -2 :               0.00000519822068
                   -1 :               0.00001457089754
                   +0 :               0.00003375465031
                   +1 :              -0.00000725285294
                   +2 :               0.00003721395037
             14 vec=     2.802933    -16.591204      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000213915021
                2p
                   -1 :              -0.00002098152816
                   +0 :               0.00000105044078
                   +1 :              -0.00001567650772
                3s
                   +0 :               0.00004293860882
                4s
                   +0 :               0.00002441020924
                3p
                   -1 :               0.00011722167338
                   +0 :              -0.00003379500923
                   +1 :               0.00003564435044
                4p
                   -1 :              -0.00004689823208
                   +0 :               0.00001511716664
                   +1 :              -0.00002117775840
                3d
                   -2 :               0.00000217682740
                   -1 :               0.00002012595708
                   +0 :               0.00000405494695
                   +1 :              -0.00000752120372
                   +2 :               0.00001728705496
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al(  8)  npairs=  14
              1 vec=     2.802933      1.376312     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02360552731133
                2p
                   -1 :              -0.01084386958134
                   +0 :               0.00498844493206
                   +1 :              -0.02075037940130
                3s
                   +0 :              -0.03159481123869
                4s
                   +0 :              -0.01107490288342
                3p
                   -1 :              -0.02224841176285
                   +0 :              -0.02099895129553
                   +1 :              -0.04956880181685
                4p
                   -1 :              -0.00566564553806
                   +0 :               0.00402586203018
                   +1 :              -0.00914147576947
                3d
                   -2 :              -0.02957122632175
                   -1 :               0.00237178117956
                   +0 :               0.03140182615132
                   +1 :               0.00194063444678
                   +2 :              -0.02136718001737
              2 vec=    -4.977229     -3.115567     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00131187239182
                2p
                   -1 :              -0.00031434338626
                   +0 :              -0.00000879679050
                   +1 :              -0.00089831847750
                3s
                   +0 :              -0.00524254212374
                4s
                   +0 :               0.00320606844249
                3p
                   -1 :               0.00080164709473
                   +0 :               0.00342808875247
                   +1 :               0.00598116471794
                4p
                   -1 :               0.00003880087941
                   +0 :               0.00014816671391
                   +1 :              -0.00152310072691
                3d
                   -2 :              -0.00157199387397
                   -1 :              -0.00109320773608
                   +0 :              -0.00052726315789
                   +1 :              -0.00075725723725
                   +2 :              -0.00248481644138
              3 vec=    -4.977229      5.868191     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00067047847752
                2p
                   -1 :               0.00072637422533
                   +0 :              -0.00030095456952
                   +1 :               0.00033562894956
                3s
                   +0 :              -0.00009830033862
                4s
                   +0 :               0.00137390343849
                3p
                   -1 :              -0.00298185259266
                   +0 :               0.00157997552609
                   +1 :              -0.00446717059310
                4p
                   -1 :               0.00151744977289
                   +0 :              -0.00086916277703
                   +1 :               0.00006782389885
                3d
                   -2 :              -0.00075976847268
                   -1 :              -0.00098611096962
                   +0 :              -0.00082399494085
                   +1 :               0.00157389053930
                   +2 :               0.00221645736338
              4 vec=     2.802933     -7.607446     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00036771388877
                2p
                   -1 :              -0.00071942357237
                   +0 :               0.00007715766869
                   +1 :               0.00076129503666
                3s
                   +0 :              -0.00065480963006
                4s
                   +0 :               0.00078809587566
                3p
                   -1 :               0.00166897318147
                   +0 :              -0.00182736290587
                   +1 :              -0.00492656535692
                4p
                   -1 :              -0.00093804842378
                   +0 :               0.00018560900128
                   +1 :               0.00106455830248
                3d
                   -2 :               0.00114583768665
                   -1 :               0.00047433864134
                   +0 :              -0.00029655662668
                   +1 :               0.00064910715217
                   +2 :               0.00004510873632
              5 vec=     2.802933     10.360070     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00014156901749
                2p
                   -1 :               0.00007222499408
                   +0 :               0.00015060298139
                   +1 :               0.00000298501362
                3s
                   +0 :              -0.00278205903808
                4s
                   +0 :               0.00037182580516
                3p
                   -1 :              -0.00122353484665
                   +0 :              -0.00160427130316
                   +1 :              -0.00053974613929
                4p
                   -1 :               0.00036424154495
                   +0 :               0.00023796789228
                   +1 :               0.00005379186941
                3d
                   -2 :               0.00009814904521
                   -1 :              -0.00035751229494
                   +0 :              -0.00032249436449
                   +1 :              -0.00005490037973
                   +2 :               0.00006779090901
              6 vec=    10.583096     -3.115567     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00017105066097
                2p
                   -1 :              -0.00009915834512
                   +0 :               0.00014263095387
                   +1 :               0.00001784722965
                3s
                   +0 :              -0.00072912289705
                4s
                   +0 :               0.00013536474028
                3p
                   -1 :               0.00055196233163
                   +0 :              -0.00128456808689
                   +1 :              -0.00032233265521
                4p
                   -1 :              -0.00015867783187
                   +0 :               0.00015234651097
                   +1 :               0.00000302062210
                3d
                   -2 :               0.00005415485695
                   -1 :               0.00017859214622
                   +0 :              -0.00019198795706
                   +1 :              -0.00037772543088
                   +2 :               0.00000568153726
              7 vec=    10.583096      5.868191     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00009127963683
                2p
                   -1 :              -0.00010663824401
                   +0 :              -0.00007385528794
                   +1 :               0.00005620581481
                3s
                   +0 :              -0.00048334899113
                4s
                   +0 :               0.00005108506715
                3p
                   -1 :               0.00045938461934
                   +0 :               0.00024893760083
                   +1 :              -0.00028794394748
                4p
                   -1 :              -0.00014266256870
                   +0 :              -0.00004964663301
                   +1 :               0.00000734434482
                3d
                   -2 :              -0.00002103879397
                   -1 :              -0.00005734237151
                   +0 :              -0.00010626527508
                   +1 :               0.00007822423703
                   +2 :               0.00003879914292
              8 vec=   -12.757392      1.376312     -1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00013066293158
                2p
                   -1 :              -0.00013355081383
                   +0 :              -0.00006734040888
                   +1 :               0.00007741538691
                3s
                   +0 :               0.00126859167986
                4s
                   +0 :              -0.00011237255694
                3p
                   -1 :              -0.00033497966057
                   +0 :               0.00193089568341
                   +1 :              -0.00065324915764
                4p
                   -1 :              -0.00013838805317
                   +0 :              -0.00015089348565
                   +1 :               0.00008151960194
                3d
                   -2 :               0.00000462971134
                   -1 :              -0.00014242660227
                   +0 :               0.00026522528854
                   +1 :              -0.00024794109000
                   +2 :               0.00028312544810
              9 vec=    -4.977229    -12.099325     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00028522373201
                2p
                   -1 :               0.00020455627387
                   +0 :               0.00003696745559
                   +1 :              -0.00005791825958
                3s
                   +0 :               0.00038143110708
                4s
                   +0 :              -0.00027165547684
                3p
                   -1 :              -0.00081550454164
                   +0 :               0.00005773092058
                   +1 :               0.00017947287327
                4p
                   -1 :               0.00025376892168
                   +0 :              -0.00002398360850
                   +1 :              -0.00004500499793
                3d
                   -2 :              -0.00003232248951
                   -1 :               0.00004543558621
                   +0 :              -0.00010226744688
                   +1 :               0.00000739650643
                   +2 :              -0.00009802458156
             10 vec=   -12.757392     -7.607446     -1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00006340338273
                2p
                   -1 :               0.00001252655115
                   +0 :              -0.00000447737298
                   +1 :              -0.00000464771545
                3s
                   +0 :              -0.00061097973852
                4s
                   +0 :               0.00008429358133
                3p
                   -1 :              -0.00001410030601
                   +0 :               0.00011938285978
                   +1 :               0.00017904151135
                4p
                   -1 :               0.00003734074250
                   +0 :              -0.00005617130620
                   +1 :              -0.00002139350277
                3d
                   -2 :              -0.00002087645811
                   -1 :              -0.00004255616264
                   +0 :              -0.00010213518073
                   +1 :              -0.00001707318316
                   +2 :              -0.00008247410634
             11 vec=    -4.977229     14.851949     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00004913470620
                2p
                   -1 :               0.00002552813181
                   +0 :               0.00000118307975
                   +1 :              -0.00004765226765
                3s
                   +0 :               0.00014782206899
                4s
                   +0 :              -0.00005431680795
                3p
                   -1 :              -0.00004851862144
                   +0 :               0.00020025720271
                   +1 :               0.00018658202868
                4p
                   -1 :              -0.00003928089028
                   +0 :              -0.00000509822893
                   +1 :              -0.00007499253274
                3d
                   -2 :              -0.00005494986408
                   -1 :               0.00007487407855
                   +0 :               0.00009638325475
                   +1 :              -0.00001397214305
                   +2 :               0.00001142212978
             12 vec=    10.583096    -12.099325     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00003004454389
                2p
                   -1 :               0.00000367505730
                   +0 :               0.00001364862583
                   +1 :               0.00001630460695
                3s
                   +0 :               0.00017240625365
                4s
                   +0 :              -0.00001548185059
                3p
                   -1 :              -0.00004440218165
                   +0 :              -0.00022911175568
                   +1 :              -0.00016863594386
                4p
                   -1 :              -0.00001177437520
                   +0 :               0.00003383718097
                   +1 :               0.00003446079379
                3d
                   -2 :               0.00006321536557
                   -1 :               0.00004412496331
                   +0 :              -0.00004100827650
                   +1 :               0.00002490389789
                   +2 :              -0.00000964505610
             13 vec=   -12.757392     10.360070     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00004528762565
                2p
                   -1 :              -0.00001975969569
                   +0 :               0.00002011068300
                   +1 :              -0.00001537649116
                3s
                   +0 :               0.00055212936377
                4s
                   +0 :              -0.00011331123387
                3p
                   -1 :              -0.00003969398592
                   +0 :              -0.00003348687858
                   +1 :               0.00003662329843
                4p
                   -1 :               0.00001994618027
                   +0 :               0.00003727612664
                   +1 :              -0.00001307027691
                3d
                   -2 :               0.00003206366372
                   -1 :              -0.00002380696841
                   +0 :               0.00009273443376
                   +1 :              -0.00004604635821
                   +2 :               0.00000469369232
             14 vec=     2.802933    -16.591204     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00004317027910
                2p
                   -1 :               0.00000348078888
                   +0 :              -0.00000354998954
                   +1 :              -0.00003571202312
                3s
                   +0 :              -0.00024029494993
                4s
                   +0 :               0.00008320029336
                3p
                   -1 :              -0.00002385089061
                   +0 :              -0.00003225453497
                   +1 :               0.00019360439214
                4p
                   -1 :              -0.00000993113653
                   +0 :              -0.00000529692735
                   +1 :              -0.00004990226818
                3d
                   -2 :              -0.00002436806914
                   -1 :              -0.00000935695631
                   +0 :              -0.00002866859912
                   +1 :              -0.00003813609361
                   +2 :              -0.00003270806249
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al(  9)  npairs=  14
              1 vec=     0.209546     -3.115567     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00527591413902
                2p
                   -1 :              -0.00216517222956
                   +0 :              -0.00292904835271
                   +1 :               0.00034384298163
                3s
                   +0 :              -0.01858998731522
                4s
                   +0 :               0.00762531772013
                3p
                   -1 :               0.00582303854479
                   +0 :               0.01461383162188
                   +1 :              -0.00430148952248
                4p
                   -1 :              -0.00321918120723
                   +0 :              -0.00557324187501
                   +1 :               0.00049747303501
                3d
                   -2 :              -0.00117472460203
                   -1 :              -0.00056689797612
                   +0 :              -0.00210209747897
                   +1 :               0.00114128658620
                   +2 :              -0.00206778989546
              2 vec=     0.209546      5.868191     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00151910159657
                2p
                   -1 :              -0.00135988883172
                   +0 :               0.00038521064291
                   +1 :              -0.00014724960514
                3s
                   +0 :              -0.00552146005007
                4s
                   +0 :              -0.00069580271297
                3p
                   -1 :              -0.00269978174856
                   +0 :               0.00018397087861
                   +1 :               0.00464648497097
                4p
                   -1 :              -0.00132794503536
                   +0 :              -0.00021908001264
                   +1 :              -0.00031414710782
                3d
                   -2 :               0.00174588484552
                   -1 :              -0.00025906850449
                   +0 :               0.00191442771809
                   +1 :              -0.00041254624389
                   +2 :               0.00074563471009
              3 vec=    -7.570617      1.376312     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00031919942086
                2p
                   -1 :               0.00090706002154
                   +0 :              -0.00012066364192
                   +1 :              -0.00056864602182
                3s
                   +0 :               0.00459064947982
                4s
                   +0 :               0.00022171664300
                3p
                   -1 :              -0.00955848155675
                   +0 :               0.00019087605015
                   +1 :               0.00348325890451
                4p
                   -1 :               0.00103935727932
                   +0 :               0.00004683292240
                   +1 :              -0.00100517818891
                3d
                   -2 :               0.00087033163917
                   -1 :               0.00093956190802
                   +0 :              -0.00102819253472
                   +1 :              -0.00129244698583
                   +2 :              -0.00274813935118
              4 vec=     7.989708      1.376312     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00011227080316
                2p
                   -1 :              -0.00012141528607
                   +0 :              -0.00037147378926
                   +1 :              -0.00030914476050
                3s
                   +0 :              -0.00168377614661
                4s
                   +0 :               0.00000372801442
                3p
                   -1 :               0.00097573645942
                   +0 :               0.00319475686362
                   +1 :               0.00084982645834
                4p
                   -1 :              -0.00018570874174
                   +0 :              -0.00083251076708
                   +1 :              -0.00039631981119
                3d
                   -2 :              -0.00029010738482
                   -1 :              -0.00047313737635
                   +0 :              -0.00047782225178
                   +1 :               0.00083265819215
                   +2 :               0.00015769275077
              5 vec=    -7.570617     -7.607446     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00001816533712
                2p
                   -1 :               0.00009258804990
                   +0 :              -0.00000494061683
                   +1 :               0.00020189067878
                3s
                   +0 :              -0.00136497430275
                4s
                   +0 :              -0.00020983193947
                3p
                   -1 :              -0.00065685150245
                   +0 :               0.00132155642328
                   +1 :              -0.00051132928490
                4p
                   -1 :               0.00022823009942
                   +0 :              -0.00014776120168
                   +1 :               0.00030347890570
                3d
                   -2 :               0.00020219519859
                   -1 :              -0.00007880157665
                   +0 :              -0.00047739900632
                   +1 :              -0.00026849865598
                   +2 :               0.00000939366214
              6 vec=     7.989708     -7.607446     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00033347894942
                2p
                   -1 :               0.00005722377639
                   +0 :               0.00007265329498
                   +1 :              -0.00013652223916
                3s
                   +0 :               0.00081247568561
                4s
                   +0 :              -0.00030749280805
                3p
                   -1 :              -0.00041568067098
                   +0 :              -0.00021318987330
                   +1 :               0.00053494303021
                4p
                   -1 :               0.00011376884082
                   +0 :               0.00011951296207
                   +1 :              -0.00010536472091
                3d
                   -2 :              -0.00007778511481
                   -1 :               0.00004448654549
                   +0 :              -0.00017215822686
                   +1 :              -0.00012185489450
                   +2 :               0.00016092026661
              7 vec=     0.209546    -12.099325     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00023486605143
                2p
                   -1 :              -0.00007166833266
                   +0 :              -0.00004595458688
                   +1 :              -0.00009647066835
                3s
                   +0 :              -0.00128459575316
                4s
                   +0 :               0.00023716975149
                3p
                   -1 :               0.00037644470352
                   +0 :               0.00008574730133
                   +1 :               0.00043380978182
                4p
                   -1 :              -0.00006212378354
                   +0 :               0.00002234284994
                   +1 :              -0.00010171316519
                3d
                   -2 :              -0.00016841984199
                   -1 :               0.00005444721674
                   +0 :              -0.00001844491002
                   +1 :              -0.00004221959570
                   +2 :               0.00003168566225
              8 vec=    -7.570617     10.360070     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00110686281937
                2p
                   -1 :              -0.00039082437563
                   +0 :               0.00034244739859
                   +1 :               0.00009062713736
                3s
                   +0 :               0.00571304151527
                4s
                   +0 :              -0.00078829693071
                3p
                   -1 :               0.00224625542550
                   +0 :              -0.00304512317556
                   +1 :               0.00000980330044
                4p
                   -1 :              -0.00018525277357
                   +0 :               0.00046190809652
                   +1 :               0.00008358552377
                3d
                   -2 :               0.00008881384960
                   -1 :              -0.00078973459607
                   +0 :               0.00036079310475
                   +1 :               0.00007166910182
                   +2 :              -0.00014833834565
              9 vec=     7.989708     10.360070     -5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00007083193825
                2p
                   -1 :              -0.00002488581228
                   +0 :               0.00004807065595
                   +1 :              -0.00005964448840
                3s
                   +0 :              -0.00074478443403
                4s
                   +0 :               0.00002644490673
                3p
                   -1 :               0.00010710443241
                   +0 :              -0.00023486689707
                   +1 :               0.00036911297207
                4p
                   -1 :              -0.00003048283823
                   +0 :               0.00004868587905
                   +1 :              -0.00006705197518
                3d
                   -2 :               0.00019287345413
                   -1 :              -0.00009702488069
                   +0 :              -0.00001049908946
                   +1 :              -0.00017203327023
                   +2 :              -0.00011177338978
             10 vec=     0.209546     14.851949     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00009037580218
                2p
                   -1 :              -0.00004052683581
                   +0 :              -0.00000271183931
                   +1 :              -0.00003329208664
                3s
                   +0 :               0.00009236461126
                4s
                   +0 :              -0.00009510350975
                3p
                   -1 :               0.00000361267347
                   +0 :               0.00009867601752
                   +1 :               0.00016977937505
                4p
                   -1 :              -0.00004508675252
                   +0 :              -0.00002460882100
                   +1 :              -0.00005253156850
                3d
                   -2 :              -0.00002127880143
                   -1 :              -0.00000511093631
                   +0 :               0.00000168043640
                   +1 :               0.00000729584198
                   +2 :               0.00003586372996
             11 vec=   -15.350780     -3.115567     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00001870789431
                2p
                   -1 :               0.00001579604077
                   +0 :               0.00003427085141
                   +1 :              -0.00002538343775
                3s
                   +0 :               0.00008493563780
                4s
                   +0 :              -0.00000047564080
                3p
                   -1 :               0.00003874391969
                   +0 :              -0.00024529685521
                   +1 :               0.00001620876045
                4p
                   -1 :               0.00000429306736
                   +0 :               0.00004630623681
                   +1 :              -0.00002331056073
                3d
                   -2 :              -0.00002859189810
                   -1 :               0.00000134807467
                   +0 :               0.00004466586030
                   +1 :               0.00006869262866
                   +2 :               0.00004299724863
             12 vec=    15.769871     -3.115567     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00006493918982
                2p
                   -1 :               0.00005298893876
                   +0 :               0.00001976583686
                   +1 :              -0.00002953092348
                3s
                   +0 :               0.00009490550027
                4s
                   +0 :              -0.00003013965159
                3p
                   -1 :              -0.00024078630439
                   +0 :              -0.00003193021069
                   +1 :               0.00008132233796
                4p
                   -1 :               0.00007126180497
                   +0 :               0.00001419024736
                   +1 :              -0.00000064735366
                3d
                   -2 :              -0.00001592276921
                   -1 :               0.00003195008485
                   +0 :              -0.00003274536617
                   +1 :               0.00000205819830
                   +2 :               0.00001683299996
             13 vec=   -15.350780      5.868191     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00007793626042
                2p
                   -1 :              -0.00000926486531
                   +0 :               0.00002007487955
                   +1 :               0.00000615626880
                3s
                   +0 :               0.00095828279116
                4s
                   +0 :              -0.00011766428250
                3p
                   -1 :               0.00014545893076
                   +0 :              -0.00012009031068
                   +1 :              -0.00008478060356
                4p
                   -1 :               0.00001032012277
                   +0 :               0.00005606966193
                   +1 :               0.00000345345533
                3d
                   -2 :              -0.00001247818375
                   -1 :               0.00006296289890
                   +0 :               0.00005014200890
                   +1 :               0.00001006630435
                   +2 :               0.00004514782680
             14 vec=    15.769871      5.868191     -5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00008002981197
                2p
                   -1 :              -0.00001578397995
                   +0 :              -0.00000818458445
                   +1 :               0.00002797928461
                3s
                   +0 :              -0.00044580359077
                4s
                   +0 :               0.00007870735871
                3p
                   -1 :               0.00006941676319
                   +0 :               0.00007021352594
                   +1 :              -0.00017751788269
                4p
                   -1 :              -0.00002043216928
                   +0 :              -0.00001374520541
                   +1 :               0.00003028983399
                3d
                   -2 :               0.00002662694363
                   -1 :              -0.00001918089036
                   +0 :               0.00001402821252
                   +1 :               0.00002135919251
                   +2 :              -0.00005324279025
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al( 10)  npairs=  14
              1 vec=     0.209546     -3.115567      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02199586085442
                2p
                   -1 :              -0.02220665536998
                   +0 :               0.00432972335461
                   +1 :               0.00035466098566
                3s
                   +0 :               0.04633149892150
                4s
                   +0 :               0.00881881497451
                3p
                   -1 :              -0.06780858390663
                   +0 :              -0.01651329590304
                   +1 :               0.00220668400342
                4p
                   -1 :              -0.00919924742985
                   +0 :               0.00317297833108
                   +1 :              -0.00172027602996
                3d
                   -2 :              -0.00093514531705
                   -1 :               0.00035194692601
                   +0 :              -0.03320751622551
                   +1 :              -0.00203896007636
                   +2 :              -0.03944432355650
              2 vec=     0.209546      5.868191      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00121870387014
                2p
                   -1 :              -0.00152235666957
                   +0 :               0.00027775093781
                   +1 :               0.00020094209700
                3s
                   +0 :              -0.00334170887249
                4s
                   +0 :              -0.00297441644871
                3p
                   -1 :               0.00510569008114
                   +0 :               0.00144789728296
                   +1 :              -0.00694225548189
                4p
                   -1 :              -0.00188556377946
                   +0 :               0.00046619888048
                   +1 :               0.00075300770401
                3d
                   -2 :              -0.00140177948446
                   -1 :               0.00193875145272
                   +0 :               0.00102608315492
                   +1 :               0.00001599091047
                   +2 :              -0.00340180694727
              3 vec=    -7.570617      1.376312      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00019145022695
                2p
                   -1 :               0.00057739665585
                   +0 :              -0.00019664992765
                   +1 :               0.00027343576503
                3s
                   +0 :              -0.00824852999829
                4s
                   +0 :               0.00065713581279
                3p
                   -1 :              -0.00749517859237
                   +0 :               0.00201168348936
                   +1 :               0.00460066079428
                4p
                   -1 :               0.00092100369530
                   +0 :              -0.00086343408364
                   +1 :              -0.00005625685329
                3d
                   -2 :               0.00230850507760
                   -1 :              -0.00013247728902
                   +0 :               0.00132855638676
                   +1 :              -0.00029170279165
                   +2 :               0.00050987426577
              4 vec=     7.989708      1.376312      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00050949976212
                2p
                   -1 :               0.00027627646684
                   +0 :               0.00011018010243
                   +1 :              -0.00053940978386
                3s
                   +0 :               0.00302200505212
                4s
                   +0 :              -0.00077145290802
                3p
                   -1 :              -0.00099944597008
                   +0 :               0.00032965578681
                   +1 :               0.00192150096687
                4p
                   -1 :               0.00052179851334
                   +0 :               0.00005862469962
                   +1 :              -0.00077017747280
                3d
                   -2 :              -0.00027374246743
                   -1 :              -0.00019955502003
                   +0 :               0.00025499667655
                   +1 :               0.00038433954339
                   +2 :               0.00030627039098
              5 vec=    -7.570617     -7.607446      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00017858035692
                2p
                   -1 :              -0.00008119651205
                   +0 :               0.00016472850613
                   +1 :               0.00005564274752
                3s
                   +0 :              -0.00018542373363
                4s
                   +0 :              -0.00006481562667
                3p
                   -1 :               0.00022058313163
                   +0 :              -0.00226203879195
                   +1 :              -0.00164038352301
                4p
                   -1 :               0.00011850692945
                   +0 :               0.00030695754694
                   +1 :               0.00038893420047
                3d
                   -2 :               0.00005418069570
                   -1 :               0.00042803452454
                   +0 :               0.00002534749475
                   +1 :               0.00020552073060
                   +2 :               0.00006274008046
              6 vec=     7.989708     -7.607446      1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00023162578047
                2p
                   -1 :               0.00002267327476
                   +0 :               0.00004269233502
                   +1 :              -0.00014406383847
                3s
                   +0 :               0.00268910011651
                4s
                   +0 :              -0.00067633426031
                3p
                   -1 :              -0.00072236532604
                   +0 :              -0.00087978742167
                   +1 :               0.00144306341003
                4p
                   -1 :               0.00019620753590
                   +0 :               0.00013260953810
                   +1 :              -0.00042522773265
                3d
                   -2 :              -0.00004199718702
                   -1 :               0.00003011958867
                   +0 :               0.00027727485090
                   +1 :              -0.00036935590445
                   +2 :               0.00033898978517
              7 vec=     0.209546    -12.099325      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00028905929055
                2p
                   -1 :               0.00014902989378
                   +0 :              -0.00026698000652
                   +1 :              -0.00003916068009
                3s
                   +0 :               0.00074605891121
                4s
                   +0 :              -0.00007132371237
                3p
                   -1 :              -0.00069652647068
                   +0 :               0.00117635532986
                   +1 :               0.00016120235057
                4p
                   -1 :               0.00006663501554
                   +0 :              -0.00025124518007
                   +1 :               0.00000197060862
                3d
                   -2 :              -0.00003062435352
                   -1 :              -0.00017146701486
                   +0 :               0.00005174704364
                   +1 :               0.00004192810624
                   +2 :              -0.00010567959872
              8 vec=    -7.570617     10.360070      1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00012873689654
                2p
                   -1 :              -0.00004149849932
                   +0 :               0.00021207539144
                   +1 :              -0.00014924541895
                3s
                   +0 :              -0.00048973586996
                4s
                   +0 :              -0.00016803761802
                3p
                   -1 :               0.00035524541571
                   +0 :              -0.00067725366350
                   +1 :               0.00086035218010
                4p
                   -1 :              -0.00013082048819
                   +0 :               0.00008192154072
                   +1 :              -0.00015064642343
                3d
                   -2 :               0.00008654167545
                   -1 :              -0.00015665035599
                   +0 :               0.00024324463688
                   +1 :               0.00014237609943
                   +2 :              -0.00013630829073
              9 vec=     7.989708     10.360070      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00005792914279
                2p
                   -1 :               0.00005761462179
                   +0 :              -0.00004533375598
                   +1 :               0.00006516967400
                3s
                   +0 :              -0.00010249194144
                4s
                   +0 :               0.00012553233910
                3p
                   -1 :              -0.00027273015254
                   +0 :               0.00040688212732
                   +1 :              -0.00011984940930
                4p
                   -1 :               0.00005436158266
                   +0 :              -0.00007828853715
                   +1 :               0.00006803599243
                3d
                   -2 :              -0.00004540823520
                   -1 :              -0.00006167363937
                   +0 :               0.00008045850284
                   +1 :               0.00006161588078
                   +2 :               0.00002732284375
             10 vec=     0.209546     14.851949      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00017157696363
                2p
                   -1 :               0.00003949155288
                   +0 :               0.00004451514621
                   +1 :               0.00000069340104
                3s
                   +0 :              -0.00096428917237
                4s
                   +0 :               0.00023535120309
                3p
                   -1 :              -0.00048909470110
                   +0 :              -0.00013046547401
                   +1 :               0.00001813392850
                4p
                   -1 :               0.00011739141437
                   +0 :               0.00005502749538
                   +1 :               0.00003685708804
                3d
                   -2 :              -0.00003364659774
                   -1 :               0.00003194984117
                   +0 :               0.00002556253010
                   +1 :              -0.00005777514934
                   +2 :               0.00006981552937
             11 vec=   -15.350780     -3.115567      1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00009204590629
                2p
                   -1 :              -0.00000559667466
                   +0 :              -0.00001437597054
                   +1 :              -0.00002815543013
                3s
                   +0 :              -0.00037417654087
                4s
                   +0 :               0.00007129613215
                3p
                   -1 :               0.00010823827067
                   +0 :               0.00001641438290
                   +1 :               0.00017348057805
                4p
                   -1 :              -0.00002984489580
                   +0 :              -0.00000117258612
                   +1 :              -0.00000199103641
                3d
                   -2 :              -0.00009484269578
                   -1 :              -0.00003622678713
                   +0 :              -0.00000803346632
                   +1 :               0.00003341472637
                   +2 :              -0.00003885872876
             12 vec=    15.769871     -3.115567      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00004502911150
                2p
                   -1 :               0.00000556087725
                   +0 :               0.00001737267440
                   +1 :               0.00001811264375
                3s
                   +0 :               0.00039898772461
                4s
                   +0 :              -0.00005969211107
                3p
                   -1 :              -0.00006324349713
                   +0 :              -0.00008019463768
                   +1 :              -0.00005048803887
                4p
                   -1 :               0.00000276378035
                   +0 :              -0.00000881051079
                   +1 :               0.00001572820490
                3d
                   -2 :              -0.00000900021922
                   -1 :               0.00003995548093
                   +0 :               0.00003806950496
                   +1 :              -0.00002282358838
                   +2 :              -0.00002316320105
             13 vec=   -15.350780      5.868191      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00000780678211
                2p
                   -1 :               0.00003533830785
                   +0 :               0.00000351724329
                   +1 :               0.00001103678583
                3s
                   +0 :              -0.00001216316139
                4s
                   +0 :               0.00009916408556
                3p
                   -1 :              -0.00019067971409
                   +0 :               0.00006042206117
                   +1 :               0.00001314035375
                4p
                   -1 :               0.00005486755483
                   +0 :              -0.00004472468333
                   +1 :              -0.00006792528173
                3d
                   -2 :               0.00003201623306
                   -1 :              -0.00000218445945
                   +0 :              -0.00005901462804
                   +1 :              -0.00002010792175
                   +2 :               0.00005983631389
             14 vec=    15.769871      5.868191      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00003493724858
                2p
                   -1 :               0.00000512142159
                   +0 :               0.00000759966392
                   +1 :               0.00000791822499
                3s
                   +0 :               0.00018214482450
                4s
                   +0 :              -0.00007116802517
                3p
                   -1 :              -0.00002613639203
                   +0 :              -0.00003654352353
                   +1 :              -0.00000235463634
                4p
                   -1 :              -0.00001016175876
                   +0 :               0.00000840404697
                   +1 :              -0.00000615118940
                3d
                   -2 :              -0.00003114006491
                   -1 :               0.00000465636884
                   +0 :               0.00002207119094
                   +1 :               0.00000802799844
                   +2 :              -0.00000524507300
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al( 11)  npairs=  15
              1 vec=     0.209546     -3.115567    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00051578394657
                2p
                   -1 :               0.00055513074060
                   +0 :               0.00036684145361
                   +1 :              -0.00004039792127
                3s
                   +0 :              -0.00097814264101
                4s
                   +0 :              -0.00001757880873
                3p
                   -1 :              -0.00335652069090
                   +0 :              -0.00033082500358
                   +1 :              -0.00072463127437
                4p
                   -1 :               0.00058734882727
                   +0 :               0.00014531914257
                   +1 :               0.00010779260474
                3d
                   -2 :              -0.00031518326254
                   -1 :               0.00030065530813
                   +0 :              -0.00004005532022
                   +1 :               0.00001902546291
                   +2 :              -0.00020758996038
              2 vec=     0.209546      5.868191    -10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00037094760717
                2p
                   -1 :               0.00002152571286
                   +0 :              -0.00003130477656
                   +1 :              -0.00005341297934
                3s
                   +0 :              -0.00269694044223
                4s
                   +0 :               0.00057262602215
                3p
                   -1 :              -0.00052567600759
                   +0 :               0.00051763852803
                   +1 :               0.00127213972985
                4p
                   -1 :               0.00006366231756
                   +0 :              -0.00017359005295
                   +1 :               0.00006230706139
                3d
                   -2 :               0.00036900638789
                   -1 :              -0.00024527057282
                   +0 :               0.00036646883456
                   +1 :              -0.00021631584871
                   +2 :              -0.00062103675188
              3 vec=    -7.570617      1.376312    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00003213469467
                2p
                   -1 :               0.00018192969897
                   +0 :              -0.00006514183980
                   +1 :              -0.00011754171845
                3s
                   +0 :               0.00045246425662
                4s
                   +0 :               0.00004406365545
                3p
                   -1 :              -0.00282742269516
                   +0 :               0.00089042607789
                   +1 :               0.00172554178911
                4p
                   -1 :               0.00013788950587
                   +0 :              -0.00013712887968
                   +1 :              -0.00011287244553
                3d
                   -2 :               0.00003978541011
                   -1 :               0.00045961131942
                   +0 :              -0.00047823729206
                   +1 :              -0.00058723208071
                   +2 :              -0.00071262020736
              4 vec=     7.989708      1.376312    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00015264999821
                2p
                   -1 :               0.00002809231371
                   +0 :               0.00004629814490
                   +1 :              -0.00004142766147
                3s
                   +0 :              -0.00256410210779
                4s
                   +0 :               0.00034962504195
                3p
                   -1 :              -0.00080755414380
                   +0 :               0.00086647465335
                   +1 :              -0.00099379477662
                4p
                   -1 :               0.00002159534282
                   +0 :              -0.00004671736576
                   +1 :               0.00004846601733
                3d
                   -2 :              -0.00034828493128
                   -1 :               0.00036696651279
                   +0 :              -0.00030073335211
                   +1 :               0.00027635391913
                   +2 :              -0.00007109283758
              5 vec=     0.209546     -3.115567     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00003542357140
                2p
                   -1 :              -0.00009024188790
                   +0 :              -0.00002139809136
                   +1 :              -0.00008514671592
                3s
                   +0 :               0.00014785369981
                4s
                   +0 :              -0.00007217507506
                3p
                   -1 :               0.00053284501017
                   +0 :               0.00008694097146
                   +1 :               0.00032368243549
                4p
                   -1 :              -0.00007558297334
                   +0 :              -0.00003899490035
                   +1 :              -0.00007058360688
                3d
                   -2 :              -0.00008938306011
                   -1 :               0.00006280513367
                   +0 :              -0.00000576219301
                   +1 :               0.00011126931553
                   +2 :              -0.00001175408783
              6 vec=     0.209546      5.868191     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00015740702519
                2p
                   -1 :              -0.00014127144365
                   +0 :              -0.00000266656398
                   +1 :              -0.00000451818979
                3s
                   +0 :               0.00030701525892
                4s
                   +0 :              -0.00004256233035
                3p
                   -1 :               0.00047419771481
                   +0 :              -0.00012955152374
                   +1 :              -0.00002452268943
                4p
                   -1 :              -0.00003294280449
                   +0 :               0.00002622092624
                   +1 :               0.00003562836851
                3d
                   -2 :              -0.00002814789367
                   -1 :               0.00000755618871
                   +0 :              -0.00010363122199
                   +1 :               0.00002527245571
                   +2 :              -0.00015039170571
              7 vec=    -7.570617     -7.607446    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00005834178267
                2p
                   -1 :               0.00002507895160
                   +0 :               0.00002326423450
                   +1 :              -0.00002113869524
                3s
                   +0 :              -0.00056555028245
                4s
                   +0 :               0.00008787394860
                3p
                   -1 :              -0.00008388455404
                   +0 :              -0.00022120405097
                   +1 :               0.00011549909254
                4p
                   -1 :               0.00002208603799
                   +0 :               0.00004806075901
                   +1 :               0.00000771165356
                3d
                   -2 :               0.00002185722207
                   -1 :               0.00000182069833
                   +0 :              -0.00011856643858
                   +1 :               0.00005995708420
                   +2 :               0.00000517840989
              8 vec=     7.989708     -7.607446    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00005239788678
                2p
                   -1 :               0.00002353541406
                   +0 :               0.00003265190083
                   +1 :              -0.00000140468544
                3s
                   +0 :              -0.00029878948958
                4s
                   +0 :              -0.00001894812989
                3p
                   -1 :              -0.00009570330161
                   +0 :              -0.00023574241273
                   +1 :               0.00002204534172
                4p
                   -1 :               0.00003443982371
                   +0 :               0.00009290877529
                   +1 :              -0.00004648458304
                3d
                   -2 :              -0.00006104618735
                   -1 :               0.00007673448157
                   +0 :               0.00000151754417
                   +1 :               0.00000445306783
                   +2 :               0.00002947648425
              9 vec=    -7.570617      1.376312     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00010330279795
                2p
                   -1 :              -0.00004122288744
                   +0 :              -0.00001983404953
                   +1 :               0.00000939219330
                3s
                   +0 :               0.00048892887076
                4s
                   +0 :              -0.00015744537612
                3p
                   -1 :               0.00008736539646
                   +0 :               0.00021877282214
                   +1 :              -0.00028643641572
                4p
                   -1 :              -0.00003520831336
                   +0 :              -0.00008850185298
                   +1 :               0.00003705814613
                3d
                   -2 :               0.00006600647997
                   -1 :               0.00002292398912
                   +0 :               0.00001567406117
                   +1 :              -0.00005392370270
                   +2 :               0.00001495511556
             10 vec=     7.989708      1.376312     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00003389767232
                2p
                   -1 :              -0.00003436407261
                   +0 :               0.00001018870426
                   +1 :               0.00000738329553
                3s
                   +0 :               0.00038324050514
                4s
                   +0 :              -0.00008722586214
                3p
                   -1 :               0.00003697020819
                   +0 :               0.00017785589836
                   +1 :               0.00022834609111
                4p
                   -1 :              -0.00007581257815
                   +0 :              -0.00009502541967
                   +1 :               0.00001114459949
                3d
                   -2 :              -0.00006537030506
                   -1 :               0.00007477210299
                   +0 :               0.00001252681829
                   +1 :              -0.00001922077691
                   +2 :               0.00010734966178
             11 vec=     0.209546    -12.099325    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00013359499426
                2p
                   -1 :               0.00007542948335
                   +0 :               0.00007521183563
                   +1 :              -0.00001921142551
                3s
                   +0 :               0.00014119493499
                4s
                   +0 :              -0.00020860226730
                3p
                   -1 :              -0.00029435826017
                   +0 :              -0.00028970260023
                   +1 :               0.00007336404614
                4p
                   -1 :               0.00009074605683
                   +0 :               0.00013667161291
                   +1 :              -0.00001228461518
                3d
                   -2 :              -0.00002268306105
                   -1 :               0.00005123883094
                   +0 :               0.00001186554512
                   +1 :              -0.00001436199414
                   +2 :              -0.00000518915755
             12 vec=    -7.570617     10.360070    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00012765476235
                2p
                   -1 :              -0.00000724412892
                   +0 :              -0.00000572261387
                   +1 :              -0.00004232188738
                3s
                   +0 :               0.00121380612353
                4s
                   +0 :              -0.00022261546484
                3p
                   -1 :               0.00022445713117
                   +0 :               0.00008957879057
                   +1 :               0.00010979545819
                4p
                   -1 :              -0.00001595235239
                   +0 :              -0.00000927832806
                   +1 :              -0.00004805683813
                3d
                   -2 :               0.00005719806484
                   -1 :               0.00004765788672
                   +0 :               0.00018742242531
                   +1 :               0.00007482190116
                   +2 :               0.00004634571985
             13 vec=     7.989708     10.360070    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00007393390905
                2p
                   -1 :               0.00000499568005
                   +0 :              -0.00001602762159
                   +1 :               0.00002385854960
                3s
                   +0 :              -0.00042303469827
                4s
                   +0 :               0.00005114174945
                3p
                   -1 :               0.00001432439476
                   +0 :               0.00007611320282
                   +1 :              -0.00005670997627
                4p
                   -1 :              -0.00001641556140
                   +0 :               0.00000637464858
                   +1 :               0.00000314573186
                3d
                   -2 :               0.00001482637497
                   -1 :               0.00000014526501
                   +0 :              -0.00004730639024
                   +1 :               0.00002379416391
                   +2 :               0.00000416732501
             14 vec=    -7.570617     -7.607446     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00003258605432
                2p
                   -1 :              -0.00001968009571
                   +0 :               0.00002062098569
                   +1 :              -0.00004214790304
                3s
                   +0 :               0.00040770370302
                4s
                   +0 :               0.00003408184171
                3p
                   -1 :              -0.00011123571499
                   +0 :               0.00003741886555
                   +1 :              -0.00026074194160
                4p
                   -1 :              -0.00003147402031
                   +0 :               0.00001156394732
                   +1 :              -0.00002137643580
                3d
                   -2 :               0.00009999784295
                   -1 :              -0.00002331203946
                   +0 :              -0.00006430568911
                   +1 :              -0.00005210963137
                   +2 :               0.00006844899965
             15 vec=     7.989708     -7.607446     13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00000123755129
                2p
                   -1 :              -0.00003147469886
                   +0 :               0.00000626879195
                   +1 :               0.00000147149595
                3s
                   +0 :               0.00044332099229
                4s
                   +0 :              -0.00003530224274
                3p
                   -1 :              -0.00006235030532
                   +0 :               0.00008477922704
                   +1 :               0.00017199100698
                4p
                   -1 :              -0.00004594110109
                   +0 :              -0.00002355838838
                   +1 :              -0.00001812056386
                3d
                   -2 :              -0.00003376616119
                   -1 :              -0.00002179953902
                   +0 :              -0.00003119192528
                   +1 :               0.00000267546134
                   +2 :              -0.00003516169631
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site Al( 12)  npairs=  13
              1 vec=     0.209546     -3.115567      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00198579981402
                2p
                   -1 :               0.00106610181679
                   +0 :              -0.00131111383163
                   +1 :               0.00022027504532
                3s
                   +0 :               0.00783118151564
                4s
                   +0 :              -0.00283708201317
                3p
                   -1 :              -0.00092261976495
                   +0 :              -0.00103560725281
                   +1 :              -0.00301631770916
                4p
                   -1 :               0.00008990777132
                   +0 :              -0.00167938256099
                   +1 :               0.00058390264769
                3d
                   -2 :              -0.00030619598658
                   -1 :               0.00281567952996
                   +0 :              -0.00339508440617
                   +1 :              -0.00072292088425
                   +2 :               0.00398539645647
              2 vec=     0.209546      5.868191      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00129596491003
                2p
                   -1 :               0.00002759440768
                   +0 :               0.00011424601346
                   +1 :               0.00030735840408
                3s
                   +0 :               0.01848866799219
                4s
                   +0 :              -0.00041470417956
                3p
                   -1 :               0.01198775116257
                   +0 :               0.00961178144797
                   +1 :              -0.00199153091820
                4p
                   -1 :               0.00023114089003
                   +0 :               0.00048925719628
                   +1 :               0.00048170878707
                3d
                   -2 :              -0.00001645018197
                   -1 :               0.00489938259365
                   +0 :               0.00104986302731
                   +1 :              -0.00025497474251
                   +2 :              -0.00304998523135
              3 vec=    -7.570617      1.376312      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00100547660238
                2p
                   -1 :              -0.00064549836323
                   +0 :               0.00046396662242
                   +1 :               0.00022604983108
                3s
                   +0 :              -0.00166649419815
                4s
                   +0 :              -0.00058805601149
                3p
                   -1 :               0.00254673807175
                   +0 :              -0.00186587143483
                   +1 :              -0.00266240265590
                4p
                   -1 :              -0.00076487481835
                   +0 :              -0.00013124469181
                   +1 :               0.00115359562834
                3d
                   -2 :              -0.00094539531280
                   -1 :               0.00032597583412
                   +0 :               0.00047253734729
                   +1 :              -0.00003458038473
                   +2 :               0.00117851617508
              4 vec=     7.989708      1.376312      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00061539772193
                2p
                   -1 :              -0.00012523112802
                   +0 :               0.00001014177478
                   +1 :              -0.00019072483465
                3s
                   +0 :               0.00339778980350
                4s
                   +0 :              -0.00111265444984
                3p
                   -1 :               0.00049481595901
                   +0 :              -0.00050106823777
                   +1 :               0.00219601314754
                4p
                   -1 :              -0.00018981643459
                   +0 :               0.00010002997677
                   +1 :              -0.00077027258694
                3d
                   -2 :              -0.00001027270937
                   -1 :               0.00011429111787
                   +0 :               0.00039855617870
                   +1 :              -0.00000862117861
                   +2 :               0.00048007378154
              5 vec=    -7.570617     -7.607446      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00022229384906
                2p
                   -1 :               0.00002252608964
                   +0 :              -0.00012379032594
                   +1 :               0.00006792563889
                3s
                   +0 :               0.00006853808945
                4s
                   +0 :               0.00008473725103
                3p
                   -1 :               0.00059000678315
                   +0 :               0.00074706480664
                   +1 :               0.00000489762773
                4p
                   -1 :              -0.00022215415555
                   +0 :              -0.00008190974599
                   +1 :              -0.00009720976393
                3d
                   -2 :              -0.00018185606954
                   -1 :              -0.00001666955803
                   +0 :               0.00027342936092
                   +1 :              -0.00019516530503
                   +2 :               0.00008578873818
              6 vec=     7.989708     -7.607446      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00037895531722
                2p
                   -1 :              -0.00015606481589
                   +0 :               0.00010270499956
                   +1 :               0.00013876097591
                3s
                   +0 :              -0.00090646273957
                4s
                   +0 :               0.00037229456710
                3p
                   -1 :               0.00100933346012
                   +0 :              -0.00039895202036
                   +1 :              -0.00075665580984
                4p
                   -1 :              -0.00013947389226
                   +0 :               0.00015407109520
                   +1 :               0.00015178924996
                3d
                   -2 :               0.00014954975366
                   -1 :               0.00006569798277
                   +0 :               0.00010258381751
                   +1 :              -0.00014324345742
                   +2 :               0.00000418713261
              7 vec=     0.209546    -12.099325      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00009239721093
                2p
                   -1 :              -0.00001508427122
                   +0 :               0.00007079141634
                   +1 :               0.00001247530028
                3s
                   +0 :               0.00009760322214
                4s
                   +0 :               0.00012461208709
                3p
                   -1 :              -0.00018867313939
                   +0 :              -0.00051997725343
                   +1 :              -0.00004341805587
                4p
                   -1 :              -0.00004557701444
                   +0 :               0.00010534773723
                   +1 :              -0.00004982641449
                3d
                   -2 :              -0.00000758080689
                   -1 :               0.00007892123346
                   +0 :               0.00004963240125
                   +1 :              -0.00006044263823
                   +2 :              -0.00007319646927
              8 vec=    -7.570617     10.360070      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00019228649802
                2p
                   -1 :               0.00005366985290
                   +0 :              -0.00002361250494
                   +1 :              -0.00000073556005
                3s
                   +0 :              -0.00081363400884
                4s
                   +0 :               0.00026161515283
                3p
                   -1 :              -0.00035766937262
                   +0 :               0.00013079494629
                   +1 :              -0.00010136795698
                4p
                   -1 :               0.00006710323902
                   +0 :               0.00003466926430
                   +1 :               0.00001123599282
                3d
                   -2 :              -0.00011196244695
                   -1 :              -0.00000255989049
                   +0 :              -0.00013504589372
                   +1 :              -0.00001622616791
                   +2 :               0.00007446783403
              9 vec=     7.989708     10.360070      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00003374674757
                2p
                   -1 :              -0.00000538097957
                   +0 :              -0.00000147076151
                   +1 :               0.00004233404055
                3s
                   +0 :              -0.00017061456047
                4s
                   +0 :              -0.00008933922599
                3p
                   -1 :              -0.00014605492972
                   +0 :               0.00011646926110
                   +1 :              -0.00019193111823
                4p
                   -1 :               0.00001704047986
                   +0 :              -0.00004587814501
                   +1 :              -0.00000720840697
                3d
                   -2 :              -0.00003003537390
                   -1 :              -0.00000178663620
                   +0 :              -0.00000280544073
                   +1 :               0.00002784512065
                   +2 :              -0.00001568711050
             10 vec=     0.209546     14.851949      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00006286755218
                2p
                   -1 :              -0.00000788928475
                   +0 :              -0.00003040048359
                   +1 :              -0.00001106054758
                3s
                   +0 :               0.00002653810106
                4s
                   +0 :              -0.00000698120884
                3p
                   -1 :              -0.00001263621638
                   +0 :               0.00010640727730
                   +1 :               0.00011253523675
                4p
                   -1 :               0.00003799021204
                   +0 :              -0.00003090448016
                   +1 :              -0.00002662282700
                3d
                   -2 :               0.00000679596104
                   -1 :               0.00001113971546
                   +0 :               0.00000032711618
                   +1 :              -0.00000984294805
                   +2 :              -0.00001538482896
             11 vec=   -15.350780     -3.115567      6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00003935879444
                2p
                   -1 :              -0.00000450050600
                   +0 :               0.00003486160418
                   +1 :              -0.00001614637297
                3s
                   +0 :              -0.00032934003581
                4s
                   +0 :               0.00011612048005
                3p
                   -1 :               0.00006783920379
                   +0 :              -0.00017930734183
                   +1 :               0.00009891525967
                4p
                   -1 :              -0.00002508126062
                   +0 :               0.00004071524264
                   +1 :              -0.00005480139676
                3d
                   -2 :              -0.00001677347066
                   -1 :               0.00000366952978
                   +0 :              -0.00002410456669
                   +1 :               0.00003988312483
                   +2 :               0.00002038969657
             12 vec=    15.769871     -3.115567      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00005976096606
                2p
                   -1 :               0.00002927949306
                   +0 :              -0.00004444086988
                   +1 :               0.00001896250606
                3s
                   +0 :               0.00047005291065
                4s
                   +0 :              -0.00007861293684
                3p
                   -1 :              -0.00017782903423
                   +0 :               0.00024952157417
                   +1 :              -0.00001357155471
                4p
                   -1 :               0.00003831529155
                   +0 :              -0.00004057171519
                   +1 :               0.00002696842100
                3d
                   -2 :              -0.00003413700044
                   -1 :              -0.00002172986410
                   +0 :               0.00005024473014
                   +1 :               0.00005111330523
                   +2 :              -0.00002208112582
             13 vec=   -15.350780      5.868191      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00001593391591
                2p
                   -1 :              -0.00003078922723
                   +0 :               0.00002539817547
                   +1 :               0.00001463724093
                3s
                   +0 :               0.00013861467007
                4s
                   +0 :              -0.00010398676344
                3p
                   -1 :               0.00012286265530
                   +0 :              -0.00002822546254
                   +1 :              -0.00012675397763
                4p
                   -1 :              -0.00006466938038
                   +0 :              -0.00000958948377
                   +1 :               0.00005491257859
                3d
                   -2 :              -0.00002277520343
                   -1 :              -0.00004552545278
                   +0 :               0.00001375513511
                   +1 :               0.00000657134568
                   +2 :               0.00000584813178
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 13)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00434614198645
                2s
                   +0 :               0.05850856504506
                3s
                   +0 :              -0.00622624650096
                2p
                   -1 :               0.01881223107801
                   +0 :               0.90304062187087
                   +1 :               0.03714075591629
                3p
                   -1 :              -0.00822159725378
                   +0 :              -0.04423383564079
                   +1 :              -0.01249645040910
                3d
                   -2 :              -0.00213120562923
                   -1 :               0.00081434580251
                   +0 :               0.00204537396532
                   +1 :              -0.00048474955814
                   +2 :              -0.00140803556958
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00013015030261
                2s
                   +0 :              -0.00185444561912
                3s
                   +0 :              -0.00021421958612
                2p
                   -1 :              -0.00029543597762
                   +0 :               0.00007793546036
                   +1 :               0.00019446766239
                3p
                   -1 :               0.00079090704009
                   +0 :               0.00031755913659
                   +1 :               0.00035616243186
                3d
                   -2 :              -0.00007527482360
                   -1 :              -0.00016638911972
                   +0 :               0.00003093008261
                   +1 :              -0.00010601455761
                   +2 :               0.00014042106713
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008644671294
                2s
                   +0 :              -0.00078096131593
                3s
                   +0 :               0.00025602885108
                2p
                   -1 :               0.00042602662038
                   +0 :              -0.00030114590171
                   +1 :               0.00242145161709
                3p
                   -1 :              -0.00100663993882
                   +0 :               0.00117653735918
                   +1 :              -0.00157740666904
                3d
                   -2 :               0.00002965918056
                   -1 :               0.00006255690221
                   +0 :               0.00008593547983
                   +1 :              -0.00014130298178
                   +2 :               0.00006016802766
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00036923180724
                2s
                   +0 :              -0.00256581276923
                3s
                   +0 :               0.00149697149807
                2p
                   -1 :               0.00259248897298
                   +0 :               0.00070243051824
                   +1 :              -0.00108366401756
                3p
                   -1 :              -0.00253492946791
                   +0 :              -0.00052231700974
                   +1 :               0.00050376707692
                3d
                   -2 :              -0.00002891020203
                   -1 :               0.00012609096001
                   +0 :              -0.00005842423542
                   +1 :              -0.00005049889895
                   +2 :              -0.00020707978603
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00023541130526
                2s
                   +0 :              -0.00218816954144
                3s
                   +0 :               0.00038564771897
                2p
                   -1 :              -0.00177843621461
                   +0 :               0.00048417956497
                   +1 :              -0.00021074464631
                3p
                   -1 :               0.00094477477569
                   +0 :               0.00009266550797
                   +1 :               0.00001688675652
                3d
                   -2 :              -0.00007137571257
                   -1 :               0.00015279230644
                   +0 :               0.00004866373412
                   +1 :               0.00004148976774
                   +2 :               0.00008227985020
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00012912438254
                2s
                   +0 :               0.00154687440352
                3s
                   +0 :              -0.00015283394201
                2p
                   -1 :              -0.00027518828606
                   +0 :               0.00037985682121
                   +1 :               0.00030569126044
                3p
                   -1 :               0.00001456100694
                   +0 :              -0.00022694911034
                   +1 :              -0.00014252945207
                3d
                   -2 :               0.00003783646513
                   -1 :               0.00003301418440
                   +0 :               0.00003513022388
                   +1 :               0.00007787805624
                   +2 :              -0.00003480636453
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00007381676015
                2s
                   +0 :               0.00068988719056
                3s
                   +0 :              -0.00053232173611
                2p
                   -1 :               0.00101993230948
                   +0 :               0.00029465894416
                   +1 :               0.00021706691183
                3p
                   -1 :              -0.00104210217965
                   +0 :              -0.00040773522414
                   +1 :              -0.00040219740827
                3d
                   -2 :              -0.00017763428610
                   -1 :              -0.00002247650881
                   +0 :              -0.00000085986609
                   +1 :              -0.00005959270615
                   +2 :              -0.00005259232360
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005328074611
                2s
                   +0 :              -0.00045723433223
                3s
                   +0 :               0.00009483763437
                2p
                   -1 :              -0.00003149924733
                   +0 :               0.00012002285791
                   +1 :               0.00022744308296
                3p
                   -1 :              -0.00007101983355
                   +0 :               0.00000920552157
                   +1 :               0.00002462922149
                3d
                   -2 :               0.00001027342350
                   -1 :              -0.00001798813494
                   +0 :               0.00001202240803
                   +1 :               0.00000146742636
                   +2 :              -0.00002562801495
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003194067568
                2s
                   +0 :              -0.00037996962643
                3s
                   +0 :               0.00000220362003
                2p
                   -1 :              -0.00001353650980
                   +0 :              -0.00008871642543
                   +1 :              -0.00001249680637
                3p
                   -1 :               0.00014493449390
                   +0 :              -0.00002182092021
                   +1 :               0.00006848115616
                3d
                   -2 :              -0.00002943961844
                   -1 :               0.00000222089608
                   +0 :               0.00000980767319
                   +1 :              -0.00000668627825
                   +2 :               0.00002029367948
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000239322962
                2s
                   +0 :               0.00002395561236
                3s
                   +0 :               0.00006113380318
                2p
                   -1 :              -0.00016405711168
                   +0 :               0.00013180824355
                   +1 :               0.00023858797083
                3p
                   -1 :               0.00026625840380
                   +0 :               0.00006002028120
                   +1 :              -0.00013578585227
                3d
                   -2 :               0.00001074621529
                   -1 :               0.00002453871657
                   +0 :               0.00000167204649
                   +1 :               0.00000991354127
                   +2 :              -0.00002013309076
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000315009479
                2s
                   +0 :               0.00021002983797
                3s
                   +0 :               0.00001183447516
                2p
                   -1 :              -0.00015391960317
                   +0 :               0.00014168553350
                   +1 :               0.00013500916758
                3p
                   -1 :               0.00003392192824
                   +0 :              -0.00013447344759
                   +1 :              -0.00006471945067
                3d
                   -2 :               0.00000193432753
                   -1 :               0.00001571062687
                   +0 :               0.00001401389231
                   +1 :              -0.00000413288581
                   +2 :              -0.00000633135228
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001779662315
                2s
                   +0 :               0.00009040061668
                3s
                   +0 :              -0.00003596668364
                2p
                   -1 :               0.00021156788262
                   +0 :              -0.00016506406597
                   +1 :              -0.00014263106510
                3p
                   -1 :              -0.00005537808898
                   +0 :               0.00004490579555
                   +1 :               0.00013675757508
                3d
                   -2 :               0.00001720133611
                   -1 :              -0.00000098174679
                   +0 :              -0.00000734313138
                   +1 :               0.00000327539611
                   +2 :              -0.00000054519682
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004997786414
                2s
                   +0 :               0.00047423441624
                3s
                   +0 :              -0.00007466283408
                2p
                   -1 :              -0.00002254954766
                   +0 :               0.00002932811667
                   +1 :               0.00017949928001
                3p
                   -1 :               0.00003620191278
                   +0 :              -0.00002804051158
                   +1 :               0.00002769627607
                3d
                   -2 :               0.00000231771205
                   -1 :               0.00000078724916
                   +0 :              -0.00000446556352
                   +1 :               0.00000454833463
                   +2 :               0.00000924737156
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002037496068
                2s
                   +0 :              -0.00020473945731
                3s
                   +0 :               0.00004019968161
                2p
                   -1 :               0.00000148519483
                   +0 :               0.00000513087728
                   +1 :               0.00012474174884
                3p
                   -1 :              -0.00001028261710
                   +0 :              -0.00000932579823
                   +1 :              -0.00002995280864
                3d
                   -2 :               0.00000380188709
                   -1 :              -0.00000200094168
                   +0 :              -0.00000044534810
                   +1 :               0.00000080375860
                   +2 :              -0.00000280533108
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00004195458721
                2s
                   +0 :               0.00034769117756
                3s
                   +0 :              -0.00009662879494
                2p
                   -1 :              -0.00008954862576
                   +0 :               0.00001100438676
                   +1 :              -0.00002326631850
                3p
                   -1 :               0.00009068197344
                   +0 :               0.00003230405323
                   +1 :              -0.00003848601334
                3d
                   -2 :               0.00000448582224
                   -1 :               0.00000311806996
                   +0 :               0.00000668809499
                   +1 :               0.00000193596772
                   +2 :              -0.00000536284917
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000201957251
                2s
                   +0 :              -0.00003564181525
                3s
                   +0 :               0.00000019474968
                2p
                   -1 :              -0.00000944295179
                   +0 :               0.00001455857768
                   +1 :              -0.00002448140501
                3p
                   -1 :               0.00000758323315
                   +0 :              -0.00002102579850
                   +1 :               0.00001582514996
                3d
                   -2 :              -0.00000246598129
                   -1 :              -0.00000250617554
                   +0 :              -0.00000286784415
                   +1 :               0.00000291134858
                   +2 :               0.00000608704577
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001675838316
                2s
                   +0 :              -0.00013250564473
                3s
                   +0 :               0.00005182974705
                2p
                   -1 :              -0.00008163948207
                   +0 :              -0.00001230104291
                   +1 :               0.00005348866448
                3p
                   -1 :               0.00004741794684
                   +0 :               0.00002899644880
                   +1 :              -0.00001851610734
                3d
                   -2 :               0.00000108556257
                   -1 :              -0.00000037880882
                   +0 :              -0.00000504828607
                   +1 :              -0.00000160827227
                   +2 :              -0.00000418368535
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001898328418
                2s
                   +0 :               0.00019711078936
                3s
                   +0 :              -0.00001779960861
                2p
                   -1 :              -0.00001125782286
                   +0 :               0.00002027150719
                   +1 :               0.00004486005392
                3p
                   -1 :              -0.00000921391287
                   +0 :              -0.00002272467719
                   +1 :               0.00001456418486
                3d
                   -2 :               0.00000155879975
                   -1 :               0.00000368222996
                   +0 :               0.00000069146334
                   +1 :               0.00000481578727
                   +2 :              -0.00000004349962
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000285479155
                2s
                   +0 :               0.00002619494709
                3s
                   +0 :              -0.00001371906946
                2p
                   -1 :               0.00005650810334
                   +0 :              -0.00003734612335
                   +1 :               0.00002183807444
                3p
                   -1 :              -0.00003473468336
                   +0 :               0.00001141280665
                   +1 :              -0.00000811276808
                3d
                   -2 :              -0.00000007802596
                   -1 :              -0.00000245210205
                   +0 :               0.00000064899390
                   +1 :               0.00000108225947
                   +2 :              -0.00000062297329
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 14)  npairs=  12
              1 vec=    -4.767684     -0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00177485963362
                2s
                   +0 :              -0.00903474841238
                3s
                   +0 :               0.00246336586044
                2p
                   -1 :              -0.00064403984229
                   +0 :              -0.01072007605231
                   +1 :              -0.00196876975203
                3p
                   -1 :              -0.00008389349718
                   +0 :              -0.00107330808607
                   +1 :              -0.00090351917686
                3d
                   -2 :              -0.00037917849445
                   -1 :               0.00069437114494
                   +0 :              -0.00052648521407
                   +1 :               0.00234075492553
                   +2 :              -0.00009478022161
              2 vec=     3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00099584734154
                2s
                   +0 :              -0.00403362605611
                3s
                   +0 :               0.00306705000977
                2p
                   -1 :               0.00065929655214
                   +0 :              -0.00742083064245
                   +1 :              -0.00608382967175
                3p
                   -1 :              -0.00164094330623
                   +0 :               0.00082189501217
                   +1 :               0.00558814825986
                3d
                   -2 :              -0.00055173086600
                   -1 :               0.00079648564683
                   +0 :              -0.00069818386966
                   +1 :              -0.00086901912204
                   +2 :               0.00007224171029
              3 vec=     3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00159539345712
                2s
                   +0 :               0.00902529479060
                3s
                   +0 :              -0.00477198696294
                2p
                   -1 :               0.01012334708931
                   +0 :              -0.00282121686331
                   +1 :               0.00540003052450
                3p
                   -1 :              -0.00540733675299
                   +0 :              -0.00291875405702
                   +1 :              -0.00361249348839
                3d
                   -2 :              -0.00009148929141
                   -1 :              -0.00067783311503
                   +0 :               0.00025288022554
                   +1 :              -0.00012487458509
                   +2 :               0.00024471152296
              4 vec=    -4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00007604554620
                2s
                   +0 :              -0.00118622979568
                3s
                   +0 :               0.00013315425096
                2p
                   -1 :               0.00159036556419
                   +0 :               0.00057382100902
                   +1 :               0.00101641327240
                3p
                   -1 :              -0.00087575452432
                   +0 :              -0.00063758721478
                   +1 :              -0.00085363854181
                3d
                   -2 :               0.00009019555488
                   -1 :               0.00009127721722
                   +0 :              -0.00011974681910
                   +1 :              -0.00003509804706
                   +2 :               0.00007293057729
              5 vec=    -4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00000200103479
                2s
                   +0 :               0.00005348688664
                3s
                   +0 :              -0.00013626092311
                2p
                   -1 :               0.00018677280054
                   +0 :              -0.00001047013721
                   +1 :              -0.00117132385312
                3p
                   -1 :              -0.00022120787879
                   +0 :               0.00014257089663
                   +1 :               0.00125073103001
                3d
                   -2 :               0.00012094625050
                   -1 :               0.00003302296920
                   +0 :               0.00003718596947
                   +1 :               0.00001368069240
                   +2 :               0.00000320155719
              6 vec=    10.792642      0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00002267291654
                2s
                   +0 :               0.00052634318032
                3s
                   +0 :               0.00021096970029
                2p
                   -1 :               0.00012660565527
                   +0 :              -0.00052715669424
                   +1 :               0.00048224708432
                3p
                   -1 :               0.00013450216911
                   +0 :              -0.00006115877553
                   +1 :               0.00033091673785
                3d
                   -2 :               0.00004704527126
                   -1 :              -0.00001155775164
                   +0 :              -0.00001387725538
                   +1 :              -0.00001277855868
                   +2 :               0.00007132549831
              7 vec=   -12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00002393890149
                2s
                   +0 :              -0.00019345142478
                3s
                   +0 :              -0.00005295579545
                2p
                   -1 :              -0.00012425685884
                   +0 :               0.00025364125502
                   +1 :              -0.00012253451148
                3p
                   -1 :               0.00006814396990
                   +0 :              -0.00010766039440
                   +1 :               0.00015741755689
                3d
                   -2 :               0.00000721000970
                   -1 :               0.00002838491972
                   +0 :               0.00003976076148
                   +1 :               0.00000410971601
                   +2 :               0.00000800513854
              8 vec=   -12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00007117417817
                2s
                   +0 :               0.00061952533588
                3s
                   +0 :              -0.00016501722971
                2p
                   -1 :              -0.00039660590582
                   +0 :              -0.00012302445237
                   +1 :              -0.00046236273636
                3p
                   -1 :               0.00032722234208
                   +0 :               0.00033322469582
                   +1 :               0.00036626778783
                3d
                   -2 :              -0.00001491405001
                   -1 :               0.00001625997201
                   +0 :               0.00000379794366
                   +1 :              -0.00003313054632
                   +2 :               0.00000363492411
              9 vec=     3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00000343913644
                2s
                   +0 :              -0.00002186094365
                3s
                   +0 :              -0.00001533956167
                2p
                   -1 :              -0.00011759352898
                   +0 :               0.00003578607486
                   +1 :               0.00013281784409
                3p
                   -1 :               0.00010301978225
                   +0 :              -0.00012356651103
                   +1 :              -0.00022660322223
                3d
                   -2 :               0.00003143148576
                   -1 :               0.00000587160230
                   +0 :               0.00001754524661
                   +1 :              -0.00001199922150
                   +2 :              -0.00000429192037
             10 vec=     3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00003350526721
                2s
                   +0 :              -0.00052351745496
                3s
                   +0 :               0.00004177951039
                2p
                   -1 :               0.00004977806816
                   +0 :               0.00014728638256
                   +1 :              -0.00027544820657
                3p
                   -1 :              -0.00019645000966
                   +0 :              -0.00020171141155
                   +1 :               0.00005491776422
                3d
                   -2 :              -0.00002273232919
                   -1 :              -0.00000509681645
                   +0 :               0.00000842907517
                   +1 :              -0.00000384085216
                   +2 :               0.00001277932891
             11 vec=    10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00002010830420
                2s
                   +0 :               0.00031434517782
                3s
                   +0 :              -0.00002918696414
                2p
                   -1 :              -0.00010474735097
                   +0 :              -0.00003518542836
                   +1 :               0.00004585340682
                3p
                   -1 :              -0.00003454844583
                   +0 :              -0.00008361476264
                   +1 :               0.00012121678683
                3d
                   -2 :              -0.00001102446610
                   -1 :              -0.00000384947060
                   +0 :              -0.00001425207866
                   +1 :               0.00000083368770
                   +2 :              -0.00001355137889
             12 vec=    10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00003672831013
                2s
                   +0 :              -0.00028008376649
                3s
                   +0 :               0.00011543052228
                2p
                   -1 :              -0.00025846284364
                   +0 :              -0.00021587144675
                   +1 :               0.00001592829039
                3p
                   -1 :               0.00024446796849
                   +0 :               0.00009157238087
                   +1 :               0.00004891306327
                3d
                   -2 :               0.00001034768790
                   -1 :               0.00000434209273
                   +0 :              -0.00001481311832
                   +1 :              -0.00000242408868
                   +2 :              -0.00000290764762
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 15)  npairs=  12
              1 vec=    -2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00137384314136
                2s
                   +0 :              -0.00390556049808
                3s
                   +0 :               0.00197473811318
                2p
                   -1 :               0.00194392633357
                   +0 :              -0.00959918560204
                   +1 :              -0.00263251721644
                3p
                   -1 :               0.00384705818741
                   +0 :              -0.00225765176997
                   +1 :              -0.00025071293974
                3d
                   -2 :              -0.00066225353811
                   -1 :              -0.00272278630796
                   +0 :              -0.00062827769275
                   +1 :               0.00070889614399
                   +2 :               0.00017225722338
              2 vec=    -2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00222486636647
                2s
                   +0 :              -0.01526721703398
                3s
                   +0 :               0.00599507952400
                2p
                   -1 :               0.00569675807910
                   +0 :              -0.00213516992689
                   +1 :               0.00318329740510
                3p
                   -1 :              -0.00277600513448
                   +0 :              -0.00354960496249
                   +1 :              -0.00243064432239
                3d
                   -2 :               0.00027764784540
                   -1 :               0.00049938207580
                   +0 :              -0.00036578436601
                   +1 :               0.00058343803925
                   +2 :               0.00026951119198
              3 vec=     5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00193087289053
                2s
                   +0 :               0.01147825901857
                3s
                   +0 :              -0.00450862888308
                2p
                   -1 :              -0.00380663217221
                   +0 :              -0.00640033309947
                   +1 :               0.00935301359619
                3p
                   -1 :               0.00281996293499
                   +0 :               0.00002987197309
                   +1 :              -0.00458464526203
                3d
                   -2 :               0.00030652783665
                   -1 :               0.00027154342408
                   +0 :               0.00024168696955
                   +1 :              -0.00106092137605
                   +2 :              -0.00003440448076
              4 vec=   -10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00008271093655
                2s
                   +0 :              -0.00141420604413
                3s
                   +0 :              -0.00009998941264
                2p
                   -1 :              -0.00043620512601
                   +0 :               0.00060524447760
                   +1 :               0.00132412090130
                3p
                   -1 :               0.00028139631311
                   +0 :              -0.00029518515100
                   +1 :              -0.00030282572589
                3d
                   -2 :              -0.00005170990029
                   -1 :              -0.00000949658864
                   +0 :               0.00013332281279
                   +1 :              -0.00002890939236
                   +2 :              -0.00004737203285
              5 vec=     5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00011295423952
                2s
                   +0 :              -0.00004424422095
                3s
                   +0 :               0.00056849684703
                2p
                   -1 :               0.00049437786015
                   +0 :               0.00012675909089
                   +1 :               0.00007632612062
                3p
                   -1 :               0.00016718410208
                   +0 :              -0.00045102867973
                   +1 :               0.00012016156684
                3d
                   -2 :               0.00006475966504
                   -1 :              -0.00000378216539
                   +0 :               0.00007954830444
                   +1 :              -0.00008051909051
                   +2 :              -0.00002230355723
              6 vec=     5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00028750867654
                2s
                   +0 :               0.00197099709778
                3s
                   +0 :              -0.00070648935150
                2p
                   -1 :              -0.00174459244984
                   +0 :               0.00008186703465
                   +1 :               0.00059090488669
                3p
                   -1 :               0.00088864174780
                   +0 :              -0.00058225211243
                   +1 :              -0.00043816147873
                3d
                   -2 :               0.00000939747613
                   -1 :               0.00000379764486
                   +0 :              -0.00001659753549
                   +1 :              -0.00004045860973
                   +2 :               0.00003547709086
              7 vec=   -10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00011078794182
                2s
                   +0 :               0.00092935373809
                3s
                   +0 :              -0.00017947893354
                2p
                   -1 :               0.00037294620432
                   +0 :               0.00003097830230
                   +1 :               0.00007006599225
                3p
                   -1 :              -0.00039174286572
                   +0 :               0.00038079403008
                   +1 :              -0.00029407623981
                3d
                   -2 :              -0.00001964340468
                   -1 :              -0.00002844074673
                   +0 :               0.00003340078542
                   +1 :              -0.00007108518339
                   +2 :               0.00004931166894
              8 vec=    -2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00001480647630
                2s
                   +0 :               0.00010023369650
                3s
                   +0 :              -0.00007095442085
                2p
                   -1 :               0.00056125434407
                   +0 :              -0.00017826238617
                   +1 :               0.00028932152320
                3p
                   -1 :              -0.00041372609305
                   +0 :               0.00018711191566
                   +1 :              -0.00018808534123
                3d
                   -2 :              -0.00002382066522
                   -1 :               0.00004132361458
                   +0 :               0.00003494796297
                   +1 :               0.00000687362196
                   +2 :              -0.00000366602356
              9 vec=   -10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00014840290192
                2s
                   +0 :              -0.00126202994623
                3s
                   +0 :               0.00026858441143
                2p
                   -1 :               0.00051446515028
                   +0 :               0.00016272351252
                   +1 :               0.00045966410380
                3p
                   -1 :              -0.00016698398610
                   +0 :              -0.00021816986968
                   +1 :              -0.00017903756933
                3d
                   -2 :              -0.00000773611762
                   -1 :               0.00001006366198
                   +0 :              -0.00000690441222
                   +1 :               0.00002126767792
                   +2 :              -0.00001129736980
             10 vec=    13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00002570080655
                2s
                   +0 :               0.00016850904220
                3s
                   +0 :              -0.00006784430184
                2p
                   -1 :               0.00016869952431
                   +0 :               0.00000973162901
                   +1 :               0.00002473463865
                3p
                   -1 :              -0.00004108763636
                   +0 :              -0.00011842210922
                   +1 :              -0.00000511631842
                3d
                   -2 :              -0.00000196157231
                   -1 :               0.00000153940600
                   +0 :              -0.00001496507829
                   +1 :              -0.00000867170020
                   +2 :              -0.00000798562721
             11 vec=    -2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00000111545162
                2s
                   +0 :              -0.00006701712176
                3s
                   +0 :              -0.00008554291007
                2p
                   -1 :              -0.00023204907384
                   +0 :              -0.00010813559136
                   +1 :              -0.00032651752559
                3p
                   -1 :               0.00022420248843
                   +0 :               0.00001078941003
                   +1 :               0.00020703269532
                3d
                   -2 :              -0.00001227403821
                   -1 :              -0.00000224095997
                   +0 :               0.00002656271057
                   +1 :               0.00002138283372
                   +2 :               0.00000645603530
             12 vec=    13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00003690564671
                2s
                   +0 :               0.00032169310015
                3s
                   +0 :              -0.00003959625879
                2p
                   -1 :              -0.00000986992622
                   +0 :              -0.00007097957337
                   +1 :               0.00019978601752
                3p
                   -1 :              -0.00006943836219
                   +0 :              -0.00006729222322
                   +1 :              -0.00003810305269
                3d
                   -2 :              -0.00001327312961
                   -1 :              -0.00000178989744
                   +0 :              -0.00001485613684
                   +1 :               0.00000017506805
                   +2 :               0.00001135857874
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 16)  npairs=  18
              1 vec=     3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00003193711793
                2s
                   +0 :              -0.00025413231398
                3s
                   +0 :              -0.00015000034739
                2p
                   -1 :              -0.00037538956864
                   +0 :               0.00028919364549
                   +1 :               0.00034250828678
                3p
                   -1 :               0.00030834470984
                   +0 :              -0.00011630787504
                   +1 :              -0.00031033131104
                3d
                   -2 :               0.00000720970595
                   -1 :               0.00000029501678
                   +0 :               0.00001663998326
                   +1 :               0.00003539906677
                   +2 :              -0.00004162038618
              2 vec=     3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006016380658
                2s
                   +0 :               0.00000160640523
                3s
                   +0 :               0.00024584951271
                2p
                   -1 :               0.00014198909490
                   +0 :               0.00024804072282
                   +1 :              -0.00053891298738
                3p
                   -1 :              -0.00002934487410
                   +0 :              -0.00011515414873
                   +1 :               0.00040067418692
                3d
                   -2 :              -0.00004005496280
                   -1 :              -0.00002766486863
                   +0 :              -0.00002423207921
                   +1 :               0.00001697847484
                   +2 :              -0.00002206708009
              3 vec=    -4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00005760061302
                2s
                   +0 :               0.00028647871508
                3s
                   +0 :              -0.00009955682389
                2p
                   -1 :              -0.00058128460656
                   +0 :               0.00036745071616
                   +1 :               0.00063702724466
                3p
                   -1 :               0.00016320482671
                   +0 :              -0.00014388491966
                   +1 :               0.00004439717672
                3d
                   -2 :              -0.00001249243928
                   -1 :               0.00001129901498
                   +0 :               0.00002236421675
                   +1 :              -0.00003342381554
                   +2 :               0.00002138799310
              4 vec=    -4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00012069930814
                2s
                   +0 :               0.00146030313265
                3s
                   +0 :              -0.00018447502464
                2p
                   -1 :              -0.00000442121377
                   +0 :               0.00089174990714
                   +1 :              -0.00006489629663
                3p
                   -1 :               0.00014776056566
                   +0 :               0.00002524716738
                   +1 :              -0.00003506907510
                3d
                   -2 :               0.00003277945241
                   -1 :               0.00002036647013
                   +0 :               0.00001069598320
                   +1 :               0.00000360125678
                   +2 :              -0.00001176351580
              5 vec=    -4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00014316377396
                2s
                   +0 :              -0.00141424870462
                3s
                   +0 :               0.00020846981542
                2p
                   -1 :              -0.00006907719831
                   +0 :               0.00057663466781
                   +1 :               0.00074088747278
                3p
                   -1 :               0.00016183902628
                   +0 :              -0.00001901111251
                   +1 :              -0.00015218000161
                3d
                   -2 :              -0.00003449674846
                   -1 :              -0.00003316799881
                   +0 :              -0.00000285354434
                   +1 :              -0.00005086085966
                   +2 :              -0.00001299838127
              6 vec=    -4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00010820856285
                2s
                   +0 :               0.00161902760336
                3s
                   +0 :              -0.00019297441729
                2p
                   -1 :              -0.00028649494410
                   +0 :               0.00117644310149
                   +1 :              -0.00090001809954
                3p
                   -1 :               0.00005891761796
                   +0 :              -0.00026344916673
                   +1 :               0.00008502971759
                3d
                   -2 :               0.00003428290102
                   -1 :              -0.00001447991936
                   +0 :               0.00001584579541
                   +1 :              -0.00004822460073
                   +2 :               0.00004059682025
              7 vec=     3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00020717805137
                2s
                   +0 :              -0.00249686329376
                3s
                   +0 :               0.00035054370286
                2p
                   -1 :              -0.00091750793956
                   +0 :               0.00134522916248
                   +1 :               0.00011601217487
                3p
                   -1 :               0.00010178205848
                   +0 :              -0.00027016101085
                   +1 :               0.00001251057063
                3d
                   -2 :               0.00000064390756
                   -1 :               0.00006420184236
                   +0 :              -0.00004459977480
                   +1 :              -0.00000685058373
                   +2 :               0.00006255094478
              8 vec=     3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002609277584
                2s
                   +0 :               0.00025489242530
                3s
                   +0 :              -0.00007634493984
                2p
                   -1 :               0.00049251695520
                   +0 :               0.00009479701721
                   +1 :              -0.00054120648484
                3p
                   -1 :              -0.00010020975367
                   +0 :               0.00002528429087
                   +1 :               0.00026284593712
                3d
                   -2 :              -0.00000327149480
                   -1 :               0.00002409293809
                   +0 :              -0.00002265870726
                   +1 :              -0.00000376089322
                   +2 :              -0.00002301432399
              9 vec=     3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00004313197574
                2s
                   +0 :              -0.00046782883185
                3s
                   +0 :               0.00005953855905
                2p
                   -1 :               0.00014017254901
                   +0 :               0.00005096189525
                   +1 :               0.00006063585242
                3p
                   -1 :               0.00001152062182
                   +0 :              -0.00001037882646
                   +1 :              -0.00013625794620
                3d
                   -2 :               0.00001344111517
                   -1 :              -0.00000137697460
                   +0 :               0.00000078692511
                   +1 :               0.00000873093289
                   +2 :               0.00000840686481
             10 vec=     3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003347291189
                2s
                   +0 :               0.00033793500359
                3s
                   +0 :              -0.00009655849996
                2p
                   -1 :              -0.00022239232811
                   +0 :               0.00009820322706
                   +1 :               0.00006365241175
                3p
                   -1 :               0.00001871776811
                   +0 :              -0.00004184144307
                   +1 :              -0.00002591397480
                3d
                   -2 :               0.00000479227026
                   -1 :               0.00000520950527
                   +0 :              -0.00000001592572
                   +1 :               0.00000350054918
                   +2 :               0.00000073606572
             11 vec=    10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00004303390175
                2s
                   +0 :              -0.00043851512666
                3s
                   +0 :               0.00007639403151
                2p
                   -1 :              -0.00002344318274
                   +0 :               0.00005127388824
                   +1 :              -0.00018480591063
                3p
                   -1 :               0.00000824145234
                   +0 :               0.00001468355898
                   +1 :               0.00000427229829
                3d
                   -2 :              -0.00000048934740
                   -1 :              -0.00000615812114
                   +0 :              -0.00000277092091
                   +1 :              -0.00000074219176
                   +2 :              -0.00000435509919
             12 vec=    10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001554658428
                2s
                   +0 :               0.00019741584217
                3s
                   +0 :              -0.00001232165476
                2p
                   -1 :               0.00019333259209
                   +0 :               0.00007109738288
                   +1 :              -0.00000926718561
                3p
                   -1 :              -0.00014376158270
                   +0 :              -0.00000966121351
                   +1 :               0.00010385906291
                3d
                   -2 :              -0.00000139657224
                   -1 :              -0.00000868222218
                   +0 :               0.00000084520762
                   +1 :               0.00001059101283
                   +2 :               0.00001358995252
             13 vec=    10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002858583405
                2s
                   +0 :              -0.00028090165121
                3s
                   +0 :               0.00006477285272
                2p
                   -1 :               0.00004909853943
                   +0 :               0.00000179693079
                   +1 :              -0.00014132582312
                3p
                   -1 :               0.00001730264779
                   +0 :              -0.00000808625207
                   +1 :               0.00003785086578
                3d
                   -2 :               0.00000676961816
                   -1 :               0.00000133111098
                   +0 :              -0.00000162153393
                   +1 :              -0.00000310759076
                   +2 :               0.00000081131830
             14 vec=    10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00004688114648
                2s
                   +0 :               0.00045810293708
                3s
                   +0 :              -0.00010027176887
                2p
                   -1 :              -0.00017029913458
                   +0 :               0.00016620566580
                   +1 :               0.00012430004092
                3p
                   -1 :               0.00010014415890
                   +0 :              -0.00007950946965
                   +1 :               0.00001279642790
                3d
                   -2 :               0.00000014947820
                   -1 :               0.00000625381746
                   +0 :               0.00000182498579
                   +1 :              -0.00000106776537
                   +2 :               0.00001066654334
             15 vec=   -12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00003039082035
                2s
                   +0 :               0.00033444678368
                3s
                   +0 :              -0.00002844196060
                2p
                   -1 :              -0.00018303360990
                   +0 :               0.00000804465872
                   +1 :               0.00000087282137
                3p
                   -1 :              -0.00006394778538
                   +0 :              -0.00001395486011
                   +1 :              -0.00001350076707
                3d
                   -2 :               0.00001876479919
                   -1 :               0.00000279720704
                   +0 :              -0.00000062969074
                   +1 :               0.00001281210101
                   +2 :              -0.00000601045689
             16 vec=   -12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000101335929
                2s
                   +0 :              -0.00008011652287
                3s
                   +0 :              -0.00003990695236
                2p
                   -1 :               0.00016732029412
                   +0 :              -0.00004772365006
                   +1 :              -0.00012360976799
                3p
                   -1 :              -0.00006172010511
                   +0 :              -0.00002955475434
                   +1 :               0.00007995722501
                3d
                   -2 :              -0.00000104639442
                   -1 :              -0.00000112399010
                   +0 :              -0.00000662791439
                   +1 :               0.00000645572337
                   +2 :               0.00000287909814
             17 vec=    -4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00003966708321
                2s
                   +0 :               0.00047006523193
                3s
                   +0 :              -0.00002691903412
                2p
                   -1 :               0.00008319904705
                   +0 :              -0.00009838029532
                   +1 :               0.00024561628941
                3p
                   -1 :               0.00006536724759
                   +0 :              -0.00002123848524
                   +1 :              -0.00004499650513
                3d
                   -2 :               0.00001146517444
                   -1 :              -0.00000556298856
                   +0 :               0.00001100832877
                   +1 :               0.00000540591593
                   +2 :              -0.00001066620872
             18 vec=    -4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000980664015
                2s
                   +0 :              -0.00011513968423
                3s
                   +0 :              -0.00001710127197
                2p
                   -1 :               0.00002011476094
                   +0 :              -0.00000971612880
                   +1 :               0.00003370757466
                3p
                   -1 :              -0.00006489703100
                   +0 :              -0.00003819976156
                   +1 :              -0.00006412390806
                3d
                   -2 :              -0.00000457132845
                   -1 :              -0.00001485511086
                   +0 :               0.00000635961342
                   +1 :              -0.00000541701575
                   +2 :               0.00001161546557
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 17)  npairs=  14
              1 vec=     0.000000      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00001404912867
                2s
                   +0 :              -0.00042906617070
                3s
                   +0 :              -0.00007930979808
                2p
                   -1 :               0.00078905548091
                   +0 :               0.00017116146498
                   +1 :               0.00092321376099
                3p
                   -1 :              -0.00047112294335
                   +0 :              -0.00008877824263
                   +1 :              -0.00043460927467
                3d
                   -2 :              -0.00007197007101
                   -1 :               0.00001053337571
                   +0 :               0.00003393126062
                   +1 :              -0.00000938053883
                   +2 :              -0.00000137517293
              2 vec=     0.000000      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00012177972611
                2s
                   +0 :              -0.00036916708701
                3s
                   +0 :               0.00047119988316
                2p
                   -1 :              -0.00062024395739
                   +0 :              -0.00080651849607
                   +1 :              -0.00027290468951
                3p
                   -1 :               0.00063060443135
                   +0 :               0.00081601271021
                   +1 :               0.00015706530062
                3d
                   -2 :               0.00000100942875
                   -1 :               0.00004880758340
                   +0 :               0.00000688746973
                   +1 :               0.00002155373039
                   +2 :              -0.00000181253664
              3 vec=     0.000000     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00028129303396
                2s
                   +0 :              -0.00291767975454
                3s
                   +0 :               0.00043958700975
                2p
                   -1 :               0.00088588210850
                   +0 :               0.00138582077227
                   +1 :              -0.00050689839750
                3p
                   -1 :              -0.00047267101676
                   +0 :              -0.00019556865757
                   +1 :               0.00019536313962
                3d
                   -2 :               0.00005129112226
                   -1 :              -0.00002225993644
                   +0 :              -0.00008369744755
                   +1 :               0.00002409071273
                   +2 :              -0.00002532956469
              4 vec=     0.000000     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00016496303212
                2s
                   +0 :               0.00210228826856
                3s
                   +0 :              -0.00022742162071
                2p
                   -1 :              -0.00034721130828
                   +0 :               0.00138249314341
                   +1 :              -0.00024259937946
                3p
                   -1 :              -0.00001342255559
                   +0 :              -0.00012835999013
                   +1 :               0.00033022970376
                3d
                   -2 :              -0.00002938297582
                   -1 :              -0.00003742265214
                   +0 :               0.00002829914621
                   +1 :               0.00005094146867
                   +2 :               0.00003004480821
              5 vec=    -7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00005677201816
                2s
                   +0 :              -0.00052263344742
                3s
                   +0 :               0.00016531095646
                2p
                   -1 :               0.00013982748991
                   +0 :               0.00053613831370
                   +1 :               0.00026099828083
                3p
                   -1 :              -0.00015238949452
                   +0 :              -0.00035245430603
                   +1 :              -0.00002275213181
                3d
                   -2 :              -0.00000098110259
                   -1 :              -0.00000701618013
                   +0 :               0.00001470333270
                   +1 :              -0.00001690712447
                   +2 :               0.00000678480559
              6 vec=    -7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004257158182
                2s
                   +0 :               0.00049078109021
                3s
                   +0 :              -0.00004125621138
                2p
                   -1 :              -0.00038612128724
                   +0 :              -0.00011839211836
                   +1 :              -0.00013141527158
                3p
                   -1 :               0.00009110695897
                   +0 :               0.00031498980645
                   +1 :              -0.00011201424557
                3d
                   -2 :               0.00002676065284
                   -1 :              -0.00002446526128
                   +0 :               0.00002622673974
                   +1 :              -0.00001990083737
                   +2 :              -0.00001147730232
              7 vec=     7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00010137980033
                2s
                   +0 :              -0.00113836383415
                3s
                   +0 :               0.00017161976700
                2p
                   -1 :               0.00051542688310
                   +0 :               0.00047645023899
                   +1 :              -0.00016501167695
                3p
                   -1 :              -0.00011331016820
                   +0 :              -0.00013320886998
                   +1 :              -0.00003816706985
                3d
                   -2 :               0.00001780734178
                   -1 :              -0.00001522734181
                   +0 :              -0.00000002165556
                   +1 :               0.00000734160743
                   +2 :               0.00000584733001
              8 vec=     7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00008878798924
                2s
                   +0 :               0.00073942072757
                3s
                   +0 :              -0.00016578984863
                2p
                   -1 :              -0.00000007556141
                   +0 :               0.00020848323580
                   +1 :               0.00013166011400
                3p
                   -1 :              -0.00019315233367
                   +0 :              -0.00000448762865
                   +1 :              -0.00002037228658
                3d
                   -2 :              -0.00001524928151
                   -1 :              -0.00003943856200
                   +0 :              -0.00002535661437
                   +1 :              -0.00001088562697
                   +2 :              -0.00002125205964
              9 vec=    -7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00014163925479
                2s
                   +0 :               0.00158986399691
                3s
                   +0 :              -0.00011738716560
                2p
                   -1 :               0.00048469520690
                   +0 :              -0.00069492617963
                   +1 :               0.00020273961559
                3p
                   -1 :               0.00003741021793
                   +0 :               0.00004082253113
                   +1 :              -0.00003248114449
                3d
                   -2 :              -0.00000153819093
                   -1 :              -0.00007549020825
                   +0 :              -0.00000436205443
                   +1 :              -0.00001116185687
                   +2 :              -0.00004039287282
             10 vec=    -7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001787653046
                2s
                   +0 :              -0.00019146430671
                3s
                   +0 :               0.00000906317849
                2p
                   -1 :               0.00005534014211
                   +0 :               0.00001799293032
                   +1 :              -0.00015141433331
                3p
                   -1 :               0.00001371842748
                   +0 :              -0.00004985060359
                   +1 :               0.00008854940246
                3d
                   -2 :              -0.00000467189970
                   -1 :               0.00000355697786
                   +0 :               0.00000747982103
                   +1 :               0.00000354520986
                   +2 :               0.00000476520081
             11 vec=     7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003740604475
                2s
                   +0 :              -0.00042325357559
                3s
                   +0 :               0.00005017926365
                2p
                   -1 :              -0.00012416954272
                   +0 :               0.00019121523294
                   +1 :              -0.00014327923982
                3p
                   -1 :               0.00001868604156
                   +0 :              -0.00004456106906
                   +1 :               0.00005119161827
                3d
                   -2 :               0.00000507935191
                   -1 :               0.00001232060476
                   +0 :              -0.00000108543195
                   +1 :              -0.00000645066559
                   +2 :               0.00000301782339
             12 vec=     7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000150580789
                2s
                   +0 :               0.00008052706975
                3s
                   +0 :              -0.00000929699168
                2p
                   -1 :               0.00003359059883
                   +0 :              -0.00003875012816
                   +1 :               0.00023503965693
                3p
                   -1 :               0.00005523058526
                   +0 :               0.00006807953610
                   +1 :              -0.00018747581617
                3d
                   -2 :               0.00000112497464
                   -1 :               0.00001114347675
                   +0 :               0.00000748410181
                   +1 :              -0.00001641581397
                   +2 :              -0.00001886674220
             13 vec=     0.000000     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000644594750
                2s
                   +0 :               0.00002100975141
                3s
                   +0 :              -0.00003049915498
                2p
                   -1 :              -0.00006511807302
                   +0 :              -0.00013008864708
                   +1 :               0.00019999132453
                3p
                   -1 :              -0.00003224238748
                   +0 :               0.00005817991445
                   +1 :              -0.00004399023960
                3d
                   -2 :               0.00000194794889
                   -1 :              -0.00000083946960
                   +0 :              -0.00000114183403
                   +1 :               0.00000622694616
                   +2 :               0.00000423365349
             14 vec=     0.000000     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000505355911
                2s
                   +0 :              -0.00007874933914
                3s
                   +0 :              -0.00001639171736
                2p
                   -1 :               0.00013253994106
                   +0 :              -0.00002062400823
                   +1 :               0.00007320885991
                3p
                   -1 :              -0.00007331619139
                   +0 :              -0.00002540947016
                   +1 :              -0.00003356727086
                3d
                   -2 :              -0.00000570184261
                   -1 :              -0.00001237177671
                   +0 :              -0.00000060303869
                   +1 :               0.00000225813006
                   +2 :              -0.00000134704761
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 18)  npairs=  14
              1 vec=    -2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004302776676
                2s
                   +0 :              -0.00036950958293
                3s
                   +0 :              -0.00035396980165
                2p
                   -1 :              -0.00108894338837
                   +0 :              -0.00056879428086
                   +1 :              -0.00040261735524
                3p
                   -1 :               0.00060626289223
                   +0 :               0.00075555046627
                   +1 :               0.00051336654862
                3d
                   -2 :              -0.00000546400110
                   -1 :              -0.00001849418176
                   +0 :              -0.00000813365003
                   +1 :              -0.00002807100180
                   +2 :               0.00000876173752
              2 vec=    -2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00004064094860
                2s
                   +0 :               0.00028658645882
                3s
                   +0 :               0.00012993109817
                2p
                   -1 :               0.00082489675912
                   +0 :               0.00022523043152
                   +1 :               0.00024583229174
                3p
                   -1 :              -0.00050902016132
                   +0 :              -0.00018336266452
                   +1 :              -0.00005435342692
                3d
                   -2 :               0.00000374798202
                   -1 :              -0.00000697769508
                   +0 :              -0.00003339406630
                   +1 :              -0.00000366064039
                   +2 :              -0.00004675025277
              3 vec=     5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013434148540
                2s
                   +0 :              -0.00173129120305
                3s
                   +0 :               0.00016687205175
                2p
                   -1 :               0.00005863932015
                   +0 :               0.00086566654120
                   +1 :              -0.00034066775499
                3p
                   -1 :               0.00006387083015
                   +0 :               0.00001528416736
                   +1 :               0.00001488305839
                3d
                   -2 :               0.00004360365645
                   -1 :              -0.00002718857743
                   +0 :              -0.00000858646311
                   +1 :               0.00005072655495
                   +2 :              -0.00001665497840
              4 vec=     5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00018913944912
                2s
                   +0 :               0.00212811697510
                3s
                   +0 :              -0.00023449937584
                2p
                   -1 :               0.00031238582497
                   +0 :               0.00114601863326
                   +1 :               0.00084378861017
                3p
                   -1 :              -0.00011270029910
                   +0 :               0.00010943531509
                   +1 :              -0.00048147206896
                3d
                   -2 :              -0.00002568016846
                   -1 :               0.00000454846489
                   +0 :               0.00010824871287
                   +1 :               0.00001779068865
                   +2 :               0.00001485094974
              5 vec=    -2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001315707614
                2s
                   +0 :              -0.00019033062828
                3s
                   +0 :               0.00002266823659
                2p
                   -1 :              -0.00033886412618
                   +0 :               0.00013514368254
                   +1 :               0.00022993818449
                3p
                   -1 :               0.00007411594090
                   +0 :               0.00004345680533
                   +1 :              -0.00006128711314
                3d
                   -2 :              -0.00001889983004
                   -1 :               0.00001784190168
                   +0 :              -0.00001011460674
                   +1 :               0.00000944717701
                   +2 :               0.00000406206432
              6 vec=    -2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00001937044056
                2s
                   +0 :               0.00026855895954
                3s
                   +0 :              -0.00011052652126
                2p
                   -1 :               0.00014878365391
                   +0 :               0.00023270777317
                   +1 :               0.00016133104073
                3p
                   -1 :               0.00008247704620
                   +0 :              -0.00021638516123
                   +1 :               0.00006538408969
                3d
                   -2 :               0.00000505851338
                   -1 :               0.00002634067634
                   +0 :              -0.00002141496084
                   +1 :               0.00002395340152
                   +2 :              -0.00000454006377
              7 vec=     5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00008609515338
                2s
                   +0 :              -0.00077745635929
                3s
                   +0 :               0.00014906501698
                2p
                   -1 :               0.00011405655198
                   +0 :               0.00009875244072
                   +1 :              -0.00022221735698
                3p
                   -1 :              -0.00012163473425
                   +0 :               0.00003965570218
                   +1 :              -0.00006012711598
                3d
                   -2 :              -0.00001174547452
                   -1 :               0.00002220574581
                   +0 :               0.00001251482799
                   +1 :               0.00002044873711
                   +2 :              -0.00003082247518
              8 vec=     5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00009225651173
                2s
                   +0 :               0.00117258272760
                3s
                   +0 :              -0.00012808150412
                2p
                   -1 :               0.00022623821682
                   +0 :               0.00056138922822
                   +1 :               0.00078881335292
                3p
                   -1 :              -0.00013570081050
                   +0 :              -0.00012026836404
                   +1 :              -0.00020635531867
                3d
                   -2 :               0.00000175870183
                   -1 :              -0.00000069275208
                   +0 :              -0.00000016867764
                   +1 :               0.00002383145584
                   +2 :               0.00001179760465
              9 vec=   -10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00029308690235
                2s
                   +0 :               0.00296610485739
                3s
                   +0 :              -0.00048234135893
                2p
                   -1 :              -0.00054429959113
                   +0 :              -0.00133825988342
                   +1 :              -0.00075596499865
                3p
                   -1 :               0.00013550120887
                   +0 :               0.00033997910930
                   +1 :               0.00021528062926
                3d
                   -2 :               0.00004334501723
                   -1 :               0.00003558928563
                   +0 :               0.00002307612808
                   +1 :               0.00005462212288
                   +2 :               0.00003606675291
             10 vec=   -10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002613296365
                2s
                   +0 :              -0.00027050045007
                3s
                   +0 :               0.00007031026305
                2p
                   -1 :              -0.00011138201985
                   +0 :              -0.00015799141984
                   +1 :              -0.00015044561686
                3p
                   -1 :               0.00009623523974
                   +0 :               0.00013576144825
                   +1 :               0.00004341831807
                3d
                   -2 :               0.00000264323144
                   -1 :               0.00000201693136
                   +0 :               0.00002183906344
                   +1 :              -0.00000374967859
                   +2 :               0.00001069802773
             11 vec=    -2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002603830081
                2s
                   +0 :              -0.00041265847659
                3s
                   +0 :               0.00000426470076
                2p
                   -1 :               0.00027597307473
                   +0 :               0.00006958520291
                   +1 :              -0.00004623673567
                3p
                   -1 :              -0.00011313099222
                   +0 :               0.00007854588409
                   +1 :               0.00006735660971
                3d
                   -2 :              -0.00000772010633
                   -1 :              -0.00000044123317
                   +0 :              -0.00001483093398
                   +1 :              -0.00000151733954
                   +2 :              -0.00001366333345
             12 vec=    -2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000053980445
                2s
                   +0 :               0.00003851338873
                3s
                   +0 :               0.00001504392210
                2p
                   -1 :              -0.00015536556148
                   +0 :               0.00005953141072
                   +1 :              -0.00001807651747
                3p
                   -1 :               0.00003440526473
                   +0 :              -0.00000415104771
                   +1 :              -0.00003647055255
                3d
                   -2 :               0.00000675767099
                   -1 :               0.00000197756806
                   +0 :              -0.00000288543483
                   +1 :              -0.00000749848108
                   +2 :               0.00000181625641
             13 vec=   -10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000017655664
                2s
                   +0 :              -0.00009411008157
                3s
                   +0 :              -0.00002716627957
                2p
                   -1 :              -0.00006269684266
                   +0 :               0.00001841707882
                   +1 :               0.00027804099388
                3p
                   -1 :               0.00001001455115
                   +0 :              -0.00000961421693
                   +1 :              -0.00009818555311
                3d
                   -2 :               0.00000366920533
                   -1 :               0.00000248223699
                   +0 :              -0.00000649386807
                   +1 :               0.00000695855948
                   +2 :              -0.00000788671473
             14 vec=   -10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000692770561
                2s
                   +0 :              -0.00001275608423
                3s
                   +0 :               0.00003113788676
                2p
                   -1 :              -0.00001333581069
                   +0 :              -0.00011679072148
                   +1 :              -0.00013800672831
                3p
                   -1 :              -0.00002093174119
                   +0 :               0.00006709503266
                   +1 :              -0.00000815089757
                3d
                   -2 :               0.00000728187813
                   -1 :              -0.00000901013588
                   +0 :               0.00000349984872
                   +1 :              -0.00000489130139
                   +2 :               0.00000603024462
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 19)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00031015090530
                2s
                   +0 :               0.00314926459626
                3s
                   +0 :              -0.00052802163906
                2p
                   -1 :               0.00034686647578
                   +0 :               0.00229823758539
                   +1 :              -0.00319681073393
                3p
                   -1 :               0.00004781071422
                   +0 :              -0.00051850821449
                   +1 :               0.00008708690286
                3d
                   -2 :              -0.00003269078585
                   -1 :               0.00001727771412
                   +0 :               0.00001052231265
                   +1 :              -0.00020487388748
                   +2 :               0.00013582772526
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00062333866504
                2s
                   +0 :               0.00629523376220
                3s
                   +0 :              -0.00094420375508
                2p
                   -1 :              -0.00430306351766
                   +0 :               0.00771656825028
                   +1 :               0.00114868722552
                3p
                   -1 :               0.00056076722758
                   +0 :              -0.00122904109962
                   +1 :              -0.00063068993693
                3d
                   -2 :              -0.00008228945600
                   -1 :              -0.00034269573969
                   +0 :               0.00023887519334
                   +1 :               0.00001254193052
                   +2 :              -0.00022626941470
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00033667045127
                2s
                   +0 :               0.00315746312921
                3s
                   +0 :               0.00004030915464
                2p
                   -1 :               0.00281881920107
                   +0 :               0.00093872443874
                   +1 :              -0.00055218471203
                3p
                   -1 :              -0.00052743484854
                   +0 :               0.00141471203749
                   +1 :               0.00182315002460
                3d
                   -2 :               0.00010471274992
                   -1 :               0.00023452696947
                   +0 :               0.00008158245733
                   +1 :               0.00026306753234
                   +2 :              -0.00000445623844
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00012240633828
                2s
                   +0 :              -0.00089995322749
                3s
                   +0 :               0.00023623099531
                2p
                   -1 :               0.00033134868803
                   +0 :              -0.00046231099565
                   +1 :              -0.00009135507457
                3p
                   -1 :              -0.00058507350490
                   +0 :               0.00010641309547
                   +1 :               0.00012452375728
                3d
                   -2 :               0.00001849560012
                   -1 :              -0.00004923767476
                   +0 :               0.00002360534839
                   +1 :               0.00003194113213
                   +2 :              -0.00003140374632
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00003653035715
                2s
                   +0 :              -0.00023446283352
                3s
                   +0 :               0.00011830468862
                2p
                   -1 :               0.00037885288547
                   +0 :              -0.00042266257170
                   +1 :              -0.00040003379720
                3p
                   -1 :              -0.00025313851261
                   +0 :               0.00035060475635
                   +1 :               0.00012234614100
                3d
                   -2 :              -0.00001947491717
                   -1 :              -0.00000927483028
                   +0 :               0.00003426532387
                   +1 :               0.00001615331111
                   +2 :               0.00000290843984
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00004025280667
                2s
                   +0 :               0.00079947221449
                3s
                   +0 :              -0.00007800223428
                2p
                   -1 :              -0.00025586177218
                   +0 :              -0.00049241199850
                   +1 :               0.00060066316638
                3p
                   -1 :              -0.00002618141288
                   +0 :               0.00018151953328
                   +1 :              -0.00022545005840
                3d
                   -2 :              -0.00002827978752
                   -1 :               0.00000491110898
                   +0 :              -0.00003448428407
                   +1 :              -0.00002360714039
                   +2 :              -0.00001352420904
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00005440004410
                2s
                   +0 :              -0.00040581720805
                3s
                   +0 :               0.00016690164641
                2p
                   -1 :              -0.00008611883481
                   +0 :              -0.00008407999676
                   +1 :               0.00032808610223
                3p
                   -1 :               0.00013447366465
                   +0 :               0.00009353265101
                   +1 :              -0.00022804354699
                3d
                   -2 :              -0.00001514612591
                   -1 :               0.00001115201345
                   +0 :              -0.00002261696065
                   +1 :              -0.00000505880099
                   +2 :              -0.00000730801513
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00004321718764
                2s
                   +0 :              -0.00033315557002
                3s
                   +0 :               0.00007386266339
                2p
                   -1 :              -0.00022429653381
                   +0 :               0.00008362897675
                   +1 :              -0.00004508710146
                3p
                   -1 :               0.00012704554335
                   +0 :              -0.00010598108396
                   +1 :               0.00002176126277
                3d
                   -2 :              -0.00000101010902
                   -1 :              -0.00001436224073
                   +0 :              -0.00000487759772
                   +1 :               0.00000085273869
                   +2 :               0.00000618926063
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001150231681
                2s
                   +0 :              -0.00016880807944
                3s
                   +0 :               0.00000939786325
                2p
                   -1 :               0.00008910316794
                   +0 :              -0.00008782675853
                   +1 :              -0.00009240441189
                3p
                   -1 :              -0.00004101885154
                   +0 :               0.00001830704515
                   +1 :               0.00005685410037
                3d
                   -2 :              -0.00000203430599
                   -1 :               0.00000053840344
                   +0 :              -0.00000459794032
                   +1 :               0.00000477551030
                   +2 :               0.00000243989209
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00000422268347
                2s
                   +0 :              -0.00003444801815
                3s
                   +0 :               0.00003865526911
                2p
                   -1 :              -0.00006810194188
                   +0 :              -0.00010874052600
                   +1 :              -0.00016468832100
                3p
                   -1 :              -0.00000317665094
                   +0 :               0.00006016261767
                   +1 :               0.00005362782976
                3d
                   -2 :               0.00000408913368
                   -1 :               0.00000062910892
                   +0 :               0.00000735194461
                   +1 :              -0.00000324110602
                   +2 :              -0.00000422974422
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00002885697340
                2s
                   +0 :               0.00031275670562
                3s
                   +0 :              -0.00006885671118
                2p
                   -1 :               0.00015772026726
                   +0 :               0.00016565809880
                   +1 :               0.00016153604741
                3p
                   -1 :              -0.00012552221889
                   +0 :              -0.00010163137876
                   +1 :              -0.00000434097821
                3d
                   -2 :              -0.00002215929552
                   -1 :              -0.00000139152767
                   +0 :              -0.00000562111945
                   +1 :              -0.00001750179434
                   +2 :               0.00000527140603
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00002967170638
                2s
                   +0 :               0.00037915866051
                3s
                   +0 :              -0.00003736989330
                2p
                   -1 :               0.00004419196837
                   +0 :               0.00002646833126
                   +1 :               0.00032313347299
                3p
                   -1 :              -0.00003642698078
                   +0 :               0.00003457738468
                   +1 :              -0.00016516689819
                3d
                   -2 :               0.00000302487192
                   -1 :               0.00000159988038
                   +0 :              -0.00000004931347
                   +1 :               0.00000676609327
                   +2 :              -0.00000565145817
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002543546635
                2s
                   +0 :               0.00024143090455
                3s
                   +0 :              -0.00006954893767
                2p
                   -1 :               0.00007303393006
                   +0 :              -0.00004883698990
                   +1 :               0.00007854057242
                3p
                   -1 :              -0.00009875826138
                   +0 :               0.00005983168099
                   +1 :               0.00000442546159
                3d
                   -2 :               0.00000922460975
                   -1 :               0.00001074521948
                   +0 :               0.00000122158570
                   +1 :               0.00000187600180
                   +2 :              -0.00000112394273
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00006671460078
                2s
                   +0 :              -0.00055478861348
                3s
                   +0 :               0.00015182745502
                2p
                   -1 :              -0.00016089855656
                   +0 :               0.00028661846339
                   +1 :              -0.00002620626073
                3p
                   -1 :               0.00008327934848
                   +0 :              -0.00010375329756
                   +1 :               0.00009271796390
                3d
                   -2 :              -0.00000532706699
                   -1 :               0.00000091822363
                   +0 :               0.00001314058409
                   +1 :              -0.00000950648186
                   +2 :              -0.00000698191094
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00004128165058
                2s
                   +0 :              -0.00039385240784
                3s
                   +0 :               0.00005682765715
                2p
                   -1 :               0.00007722345462
                   +0 :               0.00008383839214
                   +1 :               0.00003086359497
                3p
                   -1 :              -0.00003327246648
                   +0 :               0.00006764006490
                   +1 :              -0.00002175785663
                3d
                   -2 :              -0.00000736322298
                   -1 :              -0.00000687767367
                   +0 :              -0.00000654603995
                   +1 :              -0.00000298668318
                   +2 :              -0.00000169560983
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 20)  npairs=  14
              1 vec=     0.418832     -0.000150      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00040848794710
                2s
                   +0 :               0.00104223280371
                3s
                   +0 :              -0.00144978934428
                2p
                   -1 :               0.00294250697003
                   +0 :               0.00432673908942
                   +1 :              -0.00012614515939
                3p
                   -1 :              -0.00147853019038
                   +0 :              -0.00404823811858
                   +1 :              -0.00020294231298
                3d
                   -2 :               0.00008308288594
                   -1 :               0.00017148690014
                   +0 :              -0.00083958529732
                   +1 :               0.00001878523463
                   +2 :               0.00011303495741
              2 vec=    -7.361331      4.491729      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00024956549843
                2s
                   +0 :              -0.00122507673571
                3s
                   +0 :               0.00080793154323
                2p
                   -1 :               0.00018585134668
                   +0 :              -0.00142113124818
                   +1 :              -0.00152690492331
                3p
                   -1 :               0.00011865589987
                   +0 :               0.00087838718581
                   +1 :               0.00089897153660
                3d
                   -2 :               0.00003696350519
                   -1 :              -0.00003319262919
                   +0 :               0.00003601677981
                   +1 :               0.00003282046401
                   +2 :              -0.00000954575724
              3 vec=    -7.361331     -4.492029      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00011897287211
                2s
                   +0 :              -0.00074369525110
                3s
                   +0 :               0.00018238721346
                2p
                   -1 :              -0.00003339173574
                   +0 :               0.00052103775225
                   +1 :              -0.00074834387578
                3p
                   -1 :               0.00003379011279
                   +0 :              -0.00056621730122
                   +1 :               0.00032749613906
                3d
                   -2 :               0.00001815561843
                   -1 :               0.00000183881532
                   +0 :              -0.00005626653436
                   +1 :               0.00001014380079
                   +2 :              -0.00002525172171
              4 vec=     0.418832      8.983608      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00005541322377
                2s
                   +0 :              -0.00053384024147
                3s
                   +0 :              -0.00006719317226
                2p
                   -1 :               0.00082828676675
                   +0 :              -0.00032503692022
                   +1 :               0.00038515639449
                3p
                   -1 :              -0.00030208475499
                   +0 :               0.00004276439799
                   +1 :              -0.00050792846245
                3d
                   -2 :               0.00000082125824
                   -1 :              -0.00000258960889
                   +0 :               0.00001345311509
                   +1 :              -0.00002945293957
                   +2 :               0.00002664521678
              5 vec=     0.418832     -8.983908      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00003004932616
                2s
                   +0 :               0.00098715390059
                3s
                   +0 :               0.00006765960365
                2p
                   -1 :              -0.00048222662359
                   +0 :              -0.00062103029211
                   +1 :              -0.00024488009823
                3p
                   -1 :              -0.00020737654154
                   +0 :               0.00021238174805
                   +1 :               0.00011043053451
                3d
                   -2 :               0.00001150918641
                   -1 :              -0.00002875370258
                   +0 :              -0.00005044406140
                   +1 :              -0.00000622468651
                   +2 :              -0.00003888528879
              6 vec=     8.198995      4.491729      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00004485304606
                2s
                   +0 :               0.00096360951504
                3s
                   +0 :              -0.00008024487278
                2p
                   -1 :               0.00077759364507
                   +0 :               0.00073685256950
                   +1 :               0.00078460238853
                3p
                   -1 :              -0.00035512715829
                   +0 :              -0.00065597019997
                   +1 :              -0.00023155852738
                3d
                   -2 :               0.00000524399784
                   -1 :              -0.00000899987524
                   +0 :              -0.00000425217637
                   +1 :              -0.00000791374180
                   +2 :               0.00004470397090
              7 vec=     8.198995     -4.492029      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00009443932993
                2s
                   +0 :               0.00091522184495
                3s
                   +0 :              -0.00016111648223
                2p
                   -1 :              -0.00093181725297
                   +0 :              -0.00032759533085
                   +1 :               0.00078675552348
                3p
                   -1 :               0.00058428493349
                   +0 :               0.00051497245990
                   +1 :              -0.00026713526611
                3d
                   -2 :               0.00002743974132
                   -1 :              -0.00003652684406
                   +0 :               0.00007108116500
                   +1 :               0.00001894232880
                   +2 :              -0.00001327818323
              8 vec=     0.418832     -0.000150    -16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000277400303
                2s
                   +0 :              -0.00008621192446
                3s
                   +0 :              -0.00005087904281
                2p
                   -1 :              -0.00010489977882
                   +0 :              -0.00003674311367
                   +1 :              -0.00001303834623
                3p
                   -1 :               0.00008056378941
                   +0 :               0.00009987635364
                   +1 :              -0.00000526036267
                3d
                   -2 :               0.00001064805888
                   -1 :              -0.00000401796145
                   +0 :              -0.00001601274042
                   +1 :               0.00000491673977
                   +2 :              -0.00000066619648
              9 vec=   -15.141493     -0.000150      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00002741014519
                2s
                   +0 :              -0.00027065419988
                3s
                   +0 :               0.00008903478250
                2p
                   -1 :               0.00002914408986
                   +0 :               0.00009381472300
                   +1 :               0.00007337058070
                3p
                   -1 :              -0.00003120340545
                   +0 :              -0.00004266156467
                   +1 :              -0.00004716342846
                3d
                   -2 :               0.00000326095902
                   -1 :              -0.00000183954602
                   +0 :              -0.00000575412711
                   +1 :              -0.00000042131332
                   +2 :               0.00000146427273
             10 vec=    -7.361331     13.475487      8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000561585069
                2s
                   +0 :              -0.00006174306878
                3s
                   +0 :               0.00000825208574
                2p
                   -1 :              -0.00008448453081
                   +0 :               0.00003760699905
                   +1 :              -0.00005460312502
                3p
                   -1 :               0.00006220929076
                   +0 :               0.00003080492401
                   +1 :               0.00003828093478
                3d
                   -2 :               0.00000199849446
                   -1 :               0.00000851335092
                   +0 :              -0.00000232822298
                   +1 :              -0.00000852875919
                   +2 :              -0.00000499344268
             11 vec=    -7.361331    -13.475787      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000262258637
                2s
                   +0 :               0.00002647879255
                3s
                   +0 :               0.00000539877717
                2p
                   -1 :              -0.00008912165893
                   +0 :              -0.00000096790552
                   +1 :              -0.00004243350162
                3p
                   -1 :               0.00001002834696
                   +0 :               0.00003252295349
                   +1 :               0.00001189931970
                3d
                   -2 :              -0.00000108559643
                   -1 :              -0.00000325873393
                   +0 :               0.00000137152991
                   +1 :               0.00000001085431
                   +2 :              -0.00000430770506
             12 vec=     8.198995     13.475487      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000672814880
                2s
                   +0 :               0.00003476287619
                3s
                   +0 :              -0.00000797705735
                2p
                   -1 :              -0.00001437469052
                   +0 :               0.00001117972128
                   +1 :              -0.00003859029436
                3p
                   -1 :               0.00000920925477
                   +0 :               0.00003638588151
                   +1 :               0.00005866459316
                3d
                   -2 :               0.00000156258757
                   -1 :              -0.00000112961647
                   +0 :               0.00000234912934
                   +1 :               0.00000252479629
                   +2 :               0.00000177101764
             13 vec=     8.198995    -13.475787      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001505184225
                2s
                   +0 :               0.00021668395241
                3s
                   +0 :               0.00001313809458
                2p
                   -1 :              -0.00007897218057
                   +0 :               0.00006579089143
                   +1 :              -0.00000144088489
                3p
                   -1 :              -0.00005154139772
                   +0 :               0.00001583801103
                   +1 :               0.00002743735513
                3d
                   -2 :              -0.00000420648464
                   -1 :              -0.00001426499978
                   +0 :               0.00000291128760
                   +1 :              -0.00000026996906
                   +2 :              -0.00001012306086
             14 vec=    15.979157     -0.000150      8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00001464787778
                2s
                   +0 :               0.00018499275527
                3s
                   +0 :              -0.00001695179376
                2p
                   -1 :               0.00008715749075
                   +0 :               0.00008065843947
                   +1 :               0.00002846376832
                3p
                   -1 :              -0.00004061531987
                   +0 :              -0.00004725366838
                   +1 :               0.00003829926238
                3d
                   -2 :               0.00000314660272
                   -1 :              -0.00000443263117
                   +0 :              -0.00000301998049
                   +1 :              -0.00000041064498
                   +2 :              -0.00000128809199
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 21)  npairs=  15
              1 vec=    -4.977229     -0.362644      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00031166684108
                2s
                   +0 :               0.00263344403318
                3s
                   +0 :              -0.00028221291770
                2p
                   -1 :               0.00096746623196
                   +0 :               0.00373166203232
                   +1 :              -0.00206354165354
                3p
                   -1 :               0.00114802299425
                   +0 :              -0.00048604109229
                   +1 :              -0.00029022474067
                3d
                   -2 :              -0.00018866278502
                   -1 :               0.00031058729720
                   +0 :               0.00017376882397
                   +1 :              -0.00024798313653
                   +2 :               0.00003924791873
              2 vec=     2.802933      4.129235      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00024973630789
                2s
                   +0 :               0.00326922073758
                3s
                   +0 :               0.00002303605591
                2p
                   -1 :              -0.00195560821484
                   +0 :               0.00335389186547
                   +1 :               0.00457376607139
                3p
                   -1 :               0.00160562258966
                   +0 :              -0.00016138415715
                   +1 :              -0.00122368140179
                3d
                   -2 :              -0.00008670378977
                   -1 :               0.00009705718140
                   +0 :               0.00001044360980
                   +1 :               0.00006217431970
                   +2 :               0.00008723844693
              3 vec=     2.802933     -4.854523      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00059383128301
                2s
                   +0 :               0.00547458066568
                3s
                   +0 :              -0.00062674805468
                2p
                   -1 :              -0.00353745356141
                   +0 :               0.00204215010609
                   +1 :              -0.00029781637204
                3p
                   -1 :               0.00042879301912
                   +0 :               0.00109068474108
                   +1 :              -0.00011420690860
                3d
                   -2 :               0.00008048371967
                   -1 :              -0.00019778109711
                   +0 :               0.00015793103458
                   +1 :              -0.00020367722245
                   +2 :              -0.00007442363644
              4 vec=    -4.977229      8.621114      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00004427496245
                2s
                   +0 :               0.00026052562057
                3s
                   +0 :              -0.00040026518466
                2p
                   -1 :               0.00059961080420
                   +0 :              -0.00035052537318
                   +1 :              -0.00002604148602
                3p
                   -1 :              -0.00035512964031
                   +0 :              -0.00015869868227
                   +1 :               0.00045970698197
                3d
                   -2 :               0.00005637154653
                   -1 :              -0.00006168051484
                   +0 :              -0.00000796901852
                   +1 :               0.00010611956566
                   +2 :              -0.00004020991958
              5 vec=    -4.977229     -9.346402      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00002306795294
                2s
                   +0 :               0.00037583672373
                3s
                   +0 :              -0.00002267646851
                2p
                   -1 :              -0.00019136575905
                   +0 :              -0.00009594959288
                   +1 :              -0.00042426731082
                3p
                   -1 :              -0.00000176134858
                   +0 :              -0.00002465493204
                   +1 :               0.00004318933243
                3d
                   -2 :               0.00001530526732
                   -1 :               0.00001974045762
                   +0 :              -0.00001605790023
                   +1 :              -0.00001425963289
                   +2 :               0.00000702410090
              6 vec=    10.583096     -0.362644      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00004570102047
                2s
                   +0 :               0.00055770447189
                3s
                   +0 :              -0.00006208068724
                2p
                   -1 :              -0.00022877165820
                   +0 :              -0.00016314377485
                   +1 :               0.00023678727135
                3p
                   -1 :               0.00013098602411
                   +0 :               0.00014546938286
                   +1 :              -0.00005512495989
                3d
                   -2 :               0.00001857106916
                   -1 :              -0.00001057764274
                   +0 :               0.00004003023102
                   +1 :              -0.00001677474983
                   +2 :              -0.00000626616814
              7 vec=   -12.757392      4.129235      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00005199905689
                2s
                   +0 :              -0.00041744225394
                3s
                   +0 :               0.00017123368980
                2p
                   -1 :              -0.00038836164157
                   +0 :              -0.00002321682513
                   +1 :               0.00022050143978
                3p
                   -1 :               0.00022085819246
                   +0 :               0.00005583092528
                   +1 :              -0.00021826346346
                3d
                   -2 :               0.00001074021066
                   -1 :               0.00000281930428
                   +0 :               0.00000210542826
                   +1 :              -0.00001087989722
                   +2 :               0.00000613617175
              8 vec=     2.802933     13.112993      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00000934988704
                2s
                   +0 :              -0.00009354068513
                3s
                   +0 :               0.00001967951187
                2p
                   -1 :               0.00010212918136
                   +0 :               0.00010014802903
                   +1 :               0.00000700110549
                3p
                   -1 :              -0.00005089805675
                   +0 :              -0.00004221680431
                   +1 :              -0.00000009674460
                3d
                   -2 :               0.00000124279630
                   -1 :               0.00000444770919
                   +0 :              -0.00001013976491
                   +1 :              -0.00000286428909
                   +2 :               0.00000399326527
              9 vec=   -12.757392     -4.854523      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00002897088473
                2s
                   +0 :              -0.00028842689418
                3s
                   +0 :               0.00003982655995
                2p
                   -1 :              -0.00001973434554
                   +0 :              -0.00007665575399
                   +1 :               0.00013093103419
                3p
                   -1 :               0.00006966224681
                   +0 :               0.00000180738890
                   +1 :              -0.00003720531745
                3d
                   -2 :              -0.00000737588292
                   -1 :              -0.00000352322973
                   +0 :              -0.00000085642131
                   +1 :               0.00001147934708
                   +2 :               0.00000132198783
             10 vec=    10.583096      8.621114      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00001925635798
                2s
                   +0 :              -0.00007411510114
                3s
                   +0 :               0.00009067932097
                2p
                   -1 :               0.00011577191850
                   +0 :               0.00010990153465
                   +1 :              -0.00000355632993
                3p
                   -1 :               0.00004793046853
                   +0 :              -0.00008318529119
                   +1 :              -0.00000423695538
                3d
                   -2 :               0.00000926848012
                   -1 :              -0.00000810972218
                   +0 :               0.00000343873177
                   +1 :              -0.00001037053767
                   +2 :              -0.00001009667493
             11 vec=     2.802933    -13.838281      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00001647408521
                2s
                   +0 :               0.00017541766037
                3s
                   +0 :              -0.00001477145509
                2p
                   -1 :              -0.00013786939163
                   +0 :              -0.00009367509795
                   +1 :               0.00001960714904
                3p
                   -1 :               0.00001285488865
                   +0 :               0.00009321974316
                   +1 :              -0.00000334725367
                3d
                   -2 :              -0.00000426374381
                   -1 :              -0.00000453199784
                   +0 :               0.00000598941199
                   +1 :               0.00000202373953
                   +2 :               0.00000127876054
             12 vec=    10.583096     -9.346402      8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00003903548129
                2s
                   +0 :               0.00038615769071
                3s
                   +0 :              -0.00004127892244
                2p
                   -1 :              -0.00012266409617
                   +0 :               0.00002042013302
                   +1 :               0.00013946776552
                3p
                   -1 :               0.00001996461539
                   +0 :               0.00003314061482
                   +1 :              -0.00004983158778
                3d
                   -2 :              -0.00000188980224
                   -1 :               0.00000188813037
                   +0 :              -0.00000318554951
                   +1 :              -0.00000051992667
                   +2 :              -0.00000436394313
             13 vec=    -4.977229     -0.362644    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00000881572027
                2s
                   +0 :              -0.00005774137032
                3s
                   +0 :               0.00001268878587
                2p
                   -1 :              -0.00008452618231
                   +0 :               0.00019412340019
                   +1 :               0.00026925359532
                3p
                   -1 :               0.00000173144312
                   +0 :              -0.00009120069240
                   +1 :              -0.00014721604810
                3d
                   -2 :              -0.00000418382713
                   -1 :              -0.00000031134850
                   +0 :              -0.00000069312496
                   +1 :               0.00000423159328
                   +2 :              -0.00000439503376
             14 vec=     2.802933      4.129235    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00004475160991
                2s
                   +0 :              -0.00039206166053
                3s
                   +0 :               0.00010605907287
                2p
                   -1 :              -0.00002226579369
                   +0 :               0.00024663863598
                   +1 :               0.00019166650368
                3p
                   -1 :               0.00005070336297
                   +0 :              -0.00011757834043
                   +1 :              -0.00006837400215
                3d
                   -2 :               0.00000611531853
                   -1 :              -0.00001236640570
                   +0 :               0.00001126261443
                   +1 :              -0.00000403638443
                   +2 :               0.00000343540987
             15 vec=     2.802933     -4.854523    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00003510613884
                2s
                   +0 :              -0.00040721164139
                3s
                   +0 :               0.00002284902911
                2p
                   -1 :              -0.00005095770587
                   +0 :               0.00025411750381
                   +1 :              -0.00004179091748
                3p
                   -1 :              -0.00001795940002
                   +0 :              -0.00002772779956
                   +1 :              -0.00005922955283
                3d
                   -2 :              -0.00000847542846
                   -1 :               0.00000900386563
                   +0 :              -0.00000513142433
                   +1 :               0.00001995014657
                   +2 :              -0.00000232144059
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 22)  npairs=  14
              1 vec=     0.419351      2.752474     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00345391211257
                2s
                   +0 :              -0.07406158394401
                3s
                   +0 :               0.00619444267815
                2p
                   -1 :              -0.03169023342274
                   +0 :               0.03377799281618
                   +1 :              -0.00403324556837
                3p
                   -1 :               0.00831044927777
                   +0 :              -0.00620673683377
                   +1 :               0.00130326596595
                3d
                   -2 :              -0.00067345089679
                   -1 :               0.00058213555572
                   +0 :              -0.00023080103945
                   +1 :               0.00006433822505
                   +2 :               0.00044392345756
              2 vec=     0.419351     -6.231284     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00087296566124
                2s
                   +0 :              -0.00754868723214
                3s
                   +0 :               0.00232232031779
                2p
                   -1 :               0.00566704211490
                   +0 :               0.00185098947656
                   +1 :              -0.00013348836728
                3p
                   -1 :              -0.00202018423568
                   +0 :              -0.00106436862517
                   +1 :              -0.00064548072730
                3d
                   -2 :               0.00013475372570
                   -1 :               0.00001338946225
                   +0 :              -0.00026864866831
                   +1 :              -0.00003280796443
                   +2 :              -0.00011532782924
              3 vec=    -7.360812     -1.739405     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00005812581274
                2s
                   +0 :              -0.00022819082836
                3s
                   +0 :               0.00016895583363
                2p
                   -1 :               0.00123459068645
                   +0 :              -0.00228303491586
                   +1 :               0.00262460989314
                3p
                   -1 :              -0.00189855048224
                   +0 :               0.00045795443707
                   +1 :              -0.00072272760674
                3d
                   -2 :               0.00009726788803
                   -1 :               0.00003761761447
                   +0 :              -0.00000456620942
                   +1 :               0.00021468795244
                   +2 :              -0.00010813733009
              4 vec=     8.199513     -1.739405     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00031165640563
                2s
                   +0 :              -0.00233184112255
                3s
                   +0 :               0.00081715080746
                2p
                   -1 :              -0.00049304424418
                   +0 :               0.00016356330375
                   +1 :              -0.00113650771575
                3p
                   -1 :               0.00056712051446
                   +0 :              -0.00088003880767
                   +1 :              -0.00016914060734
                3d
                   -2 :               0.00014504224812
                   -1 :               0.00005821034462
                   +0 :              -0.00002956859889
                   +1 :              -0.00006716740049
                   +2 :              -0.00010980041400
              5 vec=    -7.360812      7.244353     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00068403581882
                2s
                   +0 :               0.00695543923950
                3s
                   +0 :              -0.00080363882665
                2p
                   -1 :              -0.00044558091414
                   +0 :               0.00262250651314
                   +1 :              -0.00158168045079
                3p
                   -1 :               0.00204205506199
                   +0 :              -0.00109947099670
                   +1 :               0.00074958514357
                3d
                   -2 :              -0.00017993759056
                   -1 :               0.00017732998186
                   +0 :              -0.00022666147956
                   +1 :              -0.00004384776134
                   +2 :              -0.00031297632680
              6 vec=     8.199513      7.244353     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00008805495771
                2s
                   +0 :               0.00032070643172
                3s
                   +0 :              -0.00052897398127
                2p
                   -1 :              -0.00019411720458
                   +0 :              -0.00052948314254
                   +1 :               0.00071286950831
                3p
                   -1 :              -0.00008921148205
                   +0 :               0.00026797442908
                   +1 :              -0.00079296380699
                3d
                   -2 :              -0.00011080969903
                   -1 :               0.00005792142630
                   +0 :               0.00012344979633
                   +1 :               0.00010853108484
                   +2 :              -0.00010315950466
              7 vec=     0.419351     11.736232     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00008074960682
                2s
                   +0 :              -0.00093054532479
                3s
                   +0 :               0.00009164934031
                2p
                   -1 :              -0.00048571456070
                   +0 :               0.00053284787883
                   +1 :               0.00072729063043
                3p
                   -1 :               0.00017846060561
                   +0 :              -0.00017390892041
                   +1 :              -0.00024335341658
                3d
                   -2 :              -0.00000887418886
                   -1 :              -0.00000901281044
                   +0 :              -0.00002881050140
                   +1 :              -0.00000734328611
                   +2 :               0.00002055987876
              8 vec=    -7.360812    -10.723163     -4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00007611789262
                2s
                   +0 :              -0.00100135954634
                3s
                   +0 :              -0.00005120844627
                2p
                   -1 :               0.00093659243482
                   +0 :              -0.00021982678293
                   +1 :              -0.00000439177545
                3p
                   -1 :              -0.00009127563101
                   +0 :               0.00025166647815
                   +1 :               0.00034237924165
                3d
                   -2 :              -0.00004419525844
                   -1 :              -0.00004130712828
                   +0 :              -0.00001048539935
                   +1 :              -0.00003643954522
                   +2 :               0.00003650518921
              9 vec=     8.199513    -10.723163     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00000872352989
                2s
                   +0 :              -0.00002764103834
                3s
                   +0 :              -0.00007600067163
                2p
                   -1 :               0.00008822759512
                   +0 :              -0.00011680445029
                   +1 :               0.00007771574084
                3p
                   -1 :               0.00004675917641
                   +0 :               0.00000278671518
                   +1 :              -0.00015470453630
                3d
                   -2 :               0.00001830668266
                   -1 :              -0.00001380427390
                   +0 :               0.00002574794051
                   +1 :               0.00000104536691
                   +2 :              -0.00001121267217
             10 vec=     0.419351    -15.215042     -4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00002580197738
                2s
                   +0 :              -0.00028904438153
                3s
                   +0 :               0.00003815548216
                2p
                   -1 :               0.00024386086161
                   +0 :              -0.00011421211688
                   +1 :               0.00008411871602
                3p
                   -1 :              -0.00004518463432
                   +0 :               0.00005105647515
                   +1 :              -0.00007437093886
                3d
                   -2 :               0.00000327450746
                   -1 :              -0.00000311934621
                   +0 :               0.00000371423426
                   +1 :              -0.00000441719410
                   +2 :              -0.00000388393947
             11 vec=   -15.140975      2.752474     -4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00012895758403
                2s
                   +0 :               0.00134513001446
                3s
                   +0 :              -0.00023868308174
                2p
                   -1 :               0.00001082580900
                   +0 :               0.00008740642732
                   +1 :              -0.00108604426242
                3p
                   -1 :              -0.00010528713268
                   +0 :              -0.00005052417002
                   +1 :               0.00031302414485
                3d
                   -2 :               0.00000434064102
                   -1 :               0.00000750440843
                   +0 :              -0.00000394831307
                   +1 :               0.00003346629132
                   +2 :               0.00003089344474
             12 vec=    15.979676      2.752474     -4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00001369156401
                2s
                   +0 :              -0.00021895550018
                3s
                   +0 :              -0.00001275839594
                2p
                   -1 :               0.00000325651037
                   +0 :              -0.00008101928624
                   +1 :              -0.00015802272717
                3p
                   -1 :               0.00000130304191
                   +0 :               0.00003054723891
                   +1 :              -0.00002482372980
                3d
                   -2 :              -0.00000972044457
                   -1 :              -0.00000038826570
                   +0 :               0.00001381418131
                   +1 :               0.00000452718371
                   +2 :              -0.00002544200071
             13 vec=   -15.140975     -6.231284     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00001909796205
                2s
                   +0 :              -0.00015802919527
                3s
                   +0 :               0.00005668785438
                2p
                   -1 :              -0.00021545739109
                   +0 :              -0.00008396751974
                   +1 :               0.00027437807623
                3p
                   -1 :               0.00006845310149
                   +0 :               0.00008044944305
                   +1 :              -0.00011810392652
                3d
                   -2 :               0.00000111123805
                   -1 :              -0.00000213519165
                   +0 :               0.00000111215600
                   +1 :              -0.00001172648672
                   +2 :              -0.00000707962448
             14 vec=    15.979676     -6.231284     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00001189360342
                2s
                   +0 :              -0.00008727208027
                3s
                   +0 :               0.00002681270595
                2p
                   -1 :               0.00006084707422
                   +0 :              -0.00006435749885
                   +1 :              -0.00004735003105
                3p
                   -1 :              -0.00003182546465
                   +0 :               0.00001968957676
                   +1 :               0.00000013612696
                3d
                   -2 :              -0.00000174496872
                   -1 :              -0.00000216747298
                   +0 :               0.00000328865412
                   +1 :               0.00000219399018
                   +2 :               0.00000137768839
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 23)  npairs=  14
              1 vec=    -2.593647     -1.739405     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00340322861026
                2s
                   +0 :              -0.05586954011439
                3s
                   +0 :               0.00471848321985
                2p
                   -1 :               0.00875540361610
                   +0 :               0.01846299767873
                   +1 :               0.02031861757162
                3p
                   -1 :               0.00047175118215
                   +0 :              -0.00014498475646
                   +1 :              -0.00459223223444
                3d
                   -2 :              -0.00005523287611
                   -1 :              -0.00098190374593
                   +0 :              -0.00077664015288
                   +1 :              -0.00205021829708
                   +2 :               0.00067662829793
              2 vec=     5.186516      2.752474     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00079647477106
                2s
                   +0 :              -0.00664950862919
                3s
                   +0 :               0.00179293539479
                2p
                   -1 :              -0.00141442720166
                   +0 :               0.00305624044294
                   +1 :              -0.00228509783650
                3p
                   -1 :               0.00041029010875
                   +0 :              -0.00278224732425
                   +1 :              -0.00034452755058
                3d
                   -2 :               0.00022171287120
                   -1 :              -0.00004780745437
                   +0 :               0.00041648722722
                   +1 :              -0.00020099691684
                   +2 :              -0.00025847164387
              3 vec=    -2.593647      7.244353     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00012885385469
                2s
                   +0 :               0.00211419724385
                3s
                   +0 :              -0.00019437694538
                2p
                   -1 :               0.00061781725430
                   +0 :              -0.00142811226964
                   +1 :               0.00244354591355
                3p
                   -1 :              -0.00080153278325
                   +0 :               0.00037103231479
                   +1 :              -0.00058158553165
                3d
                   -2 :               0.00009912792229
                   -1 :              -0.00000989174720
                   +0 :               0.00004319468501
                   +1 :               0.00018100553663
                   +2 :               0.00003228173424
              4 vec=     5.186516     -6.231284     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00001515773034
                2s
                   +0 :               0.00002237439673
                3s
                   +0 :              -0.00031118090807
                2p
                   -1 :               0.00170184486179
                   +0 :              -0.00071537270935
                   +1 :              -0.00081283978784
                3p
                   -1 :              -0.00084057162255
                   +0 :              -0.00039136586467
                   +1 :               0.00052398887369
                3d
                   -2 :               0.00008340967826
                   -1 :               0.00000868398445
                   +0 :              -0.00002808727371
                   +1 :              -0.00009573434304
                   +2 :               0.00012363567311
              5 vec=   -10.373810      2.752474     -4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00061879926973
                2s
                   +0 :               0.00557758663386
                3s
                   +0 :              -0.00117108133252
                2p
                   -1 :              -0.00007819950608
                   +0 :               0.00105604148078
                   +1 :              -0.00224136561843
                3p
                   -1 :              -0.00046213437107
                   +0 :              -0.00042754535262
                   +1 :               0.00044233488764
                3d
                   -2 :               0.00006100245976
                   -1 :              -0.00011048052337
                   +0 :              -0.00013723681742
                   +1 :              -0.00000847062381
                   +2 :               0.00018001790847
              6 vec=    -2.593647    -10.723163     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00000252017982
                2s
                   +0 :              -0.00054144777821
                3s
                   +0 :              -0.00014433477023
                2p
                   -1 :               0.00040980653875
                   +0 :              -0.00000140151366
                   +1 :               0.00017998460348
                3p
                   -1 :               0.00007890529395
                   +0 :              -0.00000829048592
                   +1 :              -0.00003259168076
                3d
                   -2 :              -0.00005064221984
                   -1 :              -0.00001144579437
                   +0 :               0.00005802692217
                   +1 :              -0.00001893780344
                   +2 :               0.00003518386447
              7 vec=   -10.373810     -6.231284     -4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00010471529926
                2s
                   +0 :              -0.00109409542399
                3s
                   +0 :               0.00008281972025
                2p
                   -1 :              -0.00066003487829
                   +0 :              -0.00028484117544
                   +1 :               0.00028412463390
                3p
                   -1 :               0.00038211326242
                   +0 :               0.00042638840176
                   +1 :               0.00030274373412
                3d
                   -2 :              -0.00002923938871
                   -1 :               0.00002571839976
                   +0 :               0.00002204773517
                   +1 :              -0.00003279220713
                   +2 :              -0.00001461286052
              8 vec=     5.186516     11.736232     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00007901984542
                2s
                   +0 :              -0.00100296160432
                3s
                   +0 :               0.00021011758424
                2p
                   -1 :              -0.00066629417122
                   +0 :               0.00005989599195
                   +1 :              -0.00062383302503
                3p
                   -1 :               0.00012819100278
                   +0 :              -0.00008670001130
                   +1 :               0.00022125816602
                3d
                   -2 :              -0.00000386456840
                   -1 :              -0.00000702871143
                   +0 :               0.00000692082977
                   +1 :               0.00001854609670
                   +2 :              -0.00000971463449
              9 vec=    12.966678     -1.739405     -4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00004202908515
                2s
                   +0 :              -0.00041474491013
                3s
                   +0 :               0.00011445234464
                2p
                   -1 :              -0.00012711166983
                   +0 :              -0.00004704737590
                   +1 :              -0.00070021449808
                3p
                   -1 :               0.00009415019419
                   +0 :              -0.00011352994758
                   +1 :               0.00038229820077
                3d
                   -2 :               0.00002228620367
                   -1 :               0.00001086880850
                   +0 :              -0.00000582953543
                   +1 :              -0.00001376659660
                   +2 :               0.00001416976367
             10 vec=    12.966678      7.244353     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00003142501594
                2s
                   +0 :              -0.00030790390105
                3s
                   +0 :               0.00003392306514
                2p
                   -1 :              -0.00018317118969
                   +0 :              -0.00013749955979
                   +1 :               0.00000831187533
                3p
                   -1 :               0.00008398044543
                   +0 :               0.00007287172672
                   +1 :              -0.00011921956290
                3d
                   -2 :               0.00000593911798
                   -1 :               0.00000332643977
                   +0 :               0.00001700324701
                   +1 :              -0.00000152551013
                   +2 :              -0.00000040600122
             11 vec=   -10.373810     11.736232     -4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00016777135939
                2s
                   +0 :               0.00170257093632
                3s
                   +0 :              -0.00023773788387
                2p
                   -1 :               0.00109774613875
                   +0 :               0.00022147912054
                   +1 :              -0.00103894626156
                3p
                   -1 :              -0.00026199379023
                   +0 :              -0.00012755652760
                   +1 :               0.00036521783251
                3d
                   -2 :              -0.00003472193678
                   -1 :              -0.00002808116582
                   +0 :               0.00000198427489
                   +1 :               0.00000360192268
                   +2 :              -0.00001301510519
             12 vec=     5.186516    -15.215042     -4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00003865806958
                2s
                   +0 :              -0.00038614387631
                3s
                   +0 :               0.00005161548947
                2p
                   -1 :               0.00017350179091
                   +0 :               0.00003745509326
                   +1 :              -0.00001962280871
                3p
                   -1 :               0.00004778150205
                   +0 :              -0.00007198402037
                   +1 :              -0.00004581286589
                3d
                   -2 :               0.00001379664583
                   -1 :               0.00000228464929
                   +0 :               0.00001351744268
                   +1 :              -0.00000145582545
                   +2 :               0.00001376032702
             13 vec=    -2.593647     16.228111     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000603874080
                2s
                   +0 :               0.00015016171307
                3s
                   +0 :              -0.00000160237395
                2p
                   -1 :               0.00019492041124
                   +0 :               0.00000344674266
                   +1 :               0.00011867201899
                3p
                   -1 :              -0.00008060843003
                   +0 :              -0.00001259540859
                   +1 :               0.00004839506432
                3d
                   -2 :               0.00001631616149
                   -1 :              -0.00000284623837
                   +0 :               0.00000320245110
                   +1 :               0.00000276386391
                   +2 :               0.00000012328732
             14 vec=    12.966678    -10.723163     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000251524132
                2s
                   +0 :               0.00001104033027
                3s
                   +0 :              -0.00002972688694
                2p
                   -1 :              -0.00002637099853
                   +0 :              -0.00008103219141
                   +1 :               0.00001754285086
                3p
                   -1 :               0.00005183356995
                   +0 :               0.00002547158963
                   +1 :              -0.00004425603271
                3d
                   -2 :               0.00000484577002
                   -1 :              -0.00000275258646
                   +0 :               0.00000274609438
                   +1 :              -0.00000141481423
                   +2 :               0.00000549600346
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 24)  npairs=  14
              1 vec=     2.802933     -1.376012     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00220145993282
                2s
                   +0 :              -0.05248132853362
                3s
                   +0 :               0.00333582162200
                2p
                   -1 :               0.01118945692142
                   +0 :               0.02181907347510
                   +1 :              -0.02678613832678
                3p
                   -1 :              -0.00073704581260
                   +0 :               0.00165721681252
                   +1 :               0.00527553379829
                3d
                   -2 :               0.00050899986096
                   -1 :              -0.00068477469398
                   +0 :              -0.00117627948479
                   +1 :               0.00276459298279
                   +2 :              -0.00102688103396
              2 vec=    -4.977229      3.115867     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00073456493854
                2s
                   +0 :              -0.00135857988732
                3s
                   +0 :               0.00206040860560
                2p
                   -1 :              -0.00414250574859
                   +0 :               0.00408333102768
                   +1 :               0.00506655968086
                3p
                   -1 :               0.00114919441953
                   +0 :              -0.00210226200204
                   +1 :              -0.00058042896406
                3d
                   -2 :              -0.00214163528931
                   -1 :              -0.00124072925318
                   +0 :              -0.00059745588689
                   +1 :               0.00182050016918
                   +2 :               0.00066926590648
              3 vec=    -4.977229     -5.867891     -4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00012873042351
                2s
                   +0 :              -0.00184378953200
                3s
                   +0 :              -0.00039981323069
                2p
                   -1 :               0.00353272553895
                   +0 :              -0.00216002238490
                   +1 :               0.00109273946595
                3p
                   -1 :              -0.00092720770450
                   +0 :               0.00011526760426
                   +1 :              -0.00002329114873
                3d
                   -2 :              -0.00020820632085
                   -1 :               0.00016981695371
                   +0 :               0.00021849220677
                   +1 :               0.00019360458705
                   +2 :               0.00000045431181
              4 vec=     2.802933      7.607746     -4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00026781954513
                2s
                   +0 :              -0.00220208779217
                3s
                   +0 :               0.00043170482369
                2p
                   -1 :              -0.00142889240871
                   +0 :              -0.00076912149816
                   +1 :              -0.00184683338259
                3p
                   -1 :              -0.00053913370208
                   +0 :              -0.00033791693781
                   +1 :               0.00076504839860
                3d
                   -2 :              -0.00015722725253
                   -1 :              -0.00010948385479
                   +0 :               0.00018649279647
                   +1 :               0.00006689118642
                   +2 :               0.00023038742689
              5 vec=     2.802933    -10.359770     -4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00002108487851
                2s
                   +0 :              -0.00070236858401
                3s
                   +0 :              -0.00003177401987
                2p
                   -1 :               0.00068106598007
                   +0 :              -0.00042131294973
                   +1 :              -0.00125818755955
                3p
                   -1 :               0.00002283379490
                   +0 :               0.00013762620719
                   +1 :               0.00070499113733
                3d
                   -2 :              -0.00003543537200
                   -1 :               0.00001853134402
                   +0 :              -0.00002899699507
                   +1 :              -0.00000391235154
                   +2 :               0.00000972084546
              6 vec=    10.583096      3.115867     -4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00014066080033
                2s
                   +0 :              -0.00122885335989
                3s
                   +0 :               0.00030756758220
                2p
                   -1 :              -0.00074145787957
                   +0 :              -0.00026992725558
                   +1 :              -0.00130815886625
                3p
                   -1 :               0.00060286472807
                   +0 :               0.00001684434337
                   +1 :               0.00061835102628
                3d
                   -2 :              -0.00000346895365
                   -1 :              -0.00003350521719
                   +0 :              -0.00002899199306
                   +1 :               0.00001316075423
                   +2 :               0.00000469287977
              7 vec=    10.583096     -5.867891     -4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00002663001279
                2s
                   +0 :              -0.00031406954092
                3s
                   +0 :              -0.00000649556612
                2p
                   -1 :               0.00047814335023
                   +0 :              -0.00001148295136
                   +1 :              -0.00008984669318
                3p
                   -1 :              -0.00022270801947
                   +0 :               0.00002262149729
                   +1 :              -0.00017146420699
                3d
                   -2 :               0.00000908176809
                   -1 :              -0.00001349664267
                   +0 :               0.00001165950142
                   +1 :               0.00003154488917
                   +2 :              -0.00005232537873
              8 vec=   -12.757392     -1.376012     -4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00005257577534
                2s
                   +0 :               0.00040487754696
                3s
                   +0 :              -0.00015104172318
                2p
                   -1 :              -0.00098655915565
                   +0 :               0.00017624163725
                   +1 :               0.00041916067403
                3p
                   -1 :               0.00031684335997
                   +0 :               0.00003909721642
                   +1 :              -0.00016145202425
                3d
                   -2 :               0.00000752539624
                   -1 :              -0.00000943632053
                   +0 :              -0.00003332704919
                   +1 :              -0.00000709533071
                   +2 :              -0.00001318757380
              9 vec=    -4.977229     12.099625     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00014478562048
                2s
                   +0 :               0.00129021949938
                3s
                   +0 :              -0.00033348452636
                2p
                   -1 :               0.00082762412582
                   +0 :               0.00017431029341
                   +1 :               0.00122343519373
                3p
                   -1 :              -0.00037330587020
                   +0 :              -0.00008671579069
                   +1 :              -0.00045442714087
                3d
                   -2 :               0.00003278379969
                   -1 :               0.00000371854961
                   +0 :               0.00000010315122
                   +1 :              -0.00002705917056
                   +2 :               0.00000566325336
             10 vec=   -12.757392      7.607746     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00007835370223
                2s
                   +0 :               0.00078704806260
                3s
                   +0 :              -0.00010165449506
                2p
                   -1 :               0.00025257611662
                   +0 :              -0.00006666225323
                   +1 :              -0.00030759118855
                3p
                   -1 :              -0.00015953595302
                   +0 :               0.00019499790810
                   +1 :               0.00004505239116
                3d
                   -2 :               0.00003106008971
                   -1 :               0.00000788168874
                   +0 :              -0.00004936097072
                   +1 :              -0.00005553547114
                   +2 :               0.00000766977145
             11 vec=    -4.977229    -14.851649     -4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00004372340592
                2s
                   +0 :              -0.00042798821991
                3s
                   +0 :               0.00005686556498
                2p
                   -1 :               0.00028080909735
                   +0 :              -0.00008982668417
                   +1 :              -0.00011610560993
                3p
                   -1 :              -0.00002196790192
                   +0 :               0.00002399072726
                   +1 :               0.00006897199807
                3d
                   -2 :              -0.00000042760077
                   -1 :              -0.00000467488721
                   +0 :               0.00001936548045
                   +1 :               0.00000942595336
                   +2 :               0.00000065201307
             12 vec=    10.583096     12.099625     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00004850117038
                2s
                   +0 :              -0.00044889717070
                3s
                   +0 :               0.00008740085580
                2p
                   -1 :              -0.00008825527460
                   +0 :              -0.00017071256883
                   +1 :              -0.00019823842357
                3p
                   -1 :              -0.00004262709372
                   +0 :               0.00009934070052
                   +1 :               0.00003211136663
                3d
                   -2 :              -0.00000280155974
                   -1 :               0.00000050664810
                   +0 :               0.00001059845743
                   +1 :               0.00000959400287
                   +2 :              -0.00000368695919
             13 vec=   -12.757392    -10.359770     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00004109954554
                2s
                   +0 :              -0.00038241672973
                3s
                   +0 :               0.00007269955317
                2p
                   -1 :               0.00016761491331
                   +0 :              -0.00002076074996
                   +1 :               0.00010993302915
                3p
                   -1 :              -0.00008359459185
                   +0 :               0.00002201737139
                   +1 :              -0.00001189882965
                3d
                   -2 :              -0.00000504179620
                   -1 :              -0.00000169462387
                   +0 :              -0.00000170862567
                   +1 :              -0.00000213356741
                   +2 :              -0.00000728162038
             14 vec=     2.802933     16.591504     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00001797764409
                2s
                   +0 :              -0.00015353566933
                3s
                   +0 :               0.00003537156884
                2p
                   -1 :              -0.00006501363049
                   +0 :               0.00002530115193
                   +1 :               0.00003158529893
                3p
                   -1 :               0.00000035986981
                   +0 :              -0.00002336355622
                   +1 :               0.00000942647780
                3d
                   -2 :               0.00000047999121
                   -1 :               0.00000378327350
                   +0 :               0.00000215216474
                   +1 :               0.00000004621952
                   +2 :              -0.00000160901872
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 25)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00018475757282
                2s
                   +0 :              -0.00191463637009
                3s
                   +0 :              -0.00021324278918
                2p
                   -1 :               0.00056706414824
                   +0 :               0.00048686411658
                   +1 :               0.00148713394543
                3p
                   -1 :               0.00102941859504
                   +0 :               0.00113341110974
                   +1 :              -0.00108125171947
                3d
                   -2 :               0.00001408922161
                   -1 :              -0.00023911561403
                   +0 :              -0.00003656960391
                   +1 :              -0.00000835288189
                   +2 :               0.00006711819726
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00066287334440
                2s
                   +0 :              -0.00690635280469
                3s
                   +0 :               0.00085351748723
                2p
                   -1 :              -0.00151481699039
                   +0 :               0.00599115655884
                   +1 :              -0.00304846903769
                3p
                   -1 :              -0.00012511985031
                   +0 :              -0.00083725676261
                   +1 :               0.00098904227854
                3d
                   -2 :              -0.00007648784477
                   -1 :               0.00017178810971
                   +0 :              -0.00028670600750
                   +1 :               0.00022878129848
                   +2 :              -0.00003728987126
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00029040860000
                2s
                   +0 :              -0.00275206439153
                3s
                   +0 :               0.00056296877797
                2p
                   -1 :              -0.00058684688041
                   +0 :               0.00158765682375
                   +1 :               0.00113332057174
                3p
                   -1 :              -0.00112636929652
                   +0 :               0.00021232906709
                   +1 :               0.00072375220825
                3d
                   -2 :               0.00008284714431
                   -1 :               0.00014672115227
                   +0 :              -0.00007993605568
                   +1 :              -0.00014792605189
                   +2 :              -0.00002371885479
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00004565685372
                2s
                   +0 :              -0.00082531450021
                3s
                   +0 :               0.00006817857789
                2p
                   -1 :               0.00024886532540
                   +0 :              -0.00027586524511
                   +1 :              -0.00039897971051
                3p
                   -1 :              -0.00006649690060
                   +0 :               0.00011885033927
                   +1 :              -0.00001419032245
                3d
                   -2 :               0.00001559653460
                   -1 :              -0.00000385706360
                   +0 :               0.00005039221963
                   +1 :               0.00000264161290
                   +2 :              -0.00003815471421
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001666223143
                2s
                   +0 :              -0.00054032175845
                3s
                   +0 :              -0.00013428450302
                2p
                   -1 :               0.00007081831536
                   +0 :              -0.00028744044011
                   +1 :               0.00031993205661
                3p
                   -1 :               0.00004458799527
                   +0 :               0.00027796543830
                   +1 :              -0.00012292068423
                3d
                   -2 :               0.00001124095206
                   -1 :              -0.00002607728336
                   +0 :              -0.00001424292552
                   +1 :               0.00002485735991
                   +2 :               0.00001207928518
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00007930258435
                2s
                   +0 :               0.00114583707662
                3s
                   +0 :              -0.00001174612148
                2p
                   -1 :               0.00054400148385
                   +0 :              -0.00083113688818
                   +1 :               0.00045634884664
                3p
                   -1 :              -0.00004715551443
                   +0 :               0.00029808364751
                   +1 :              -0.00020783713330
                3d
                   -2 :              -0.00001431157631
                   -1 :              -0.00001852085292
                   +0 :              -0.00004412863811
                   +1 :               0.00002623307458
                   +2 :              -0.00003848212147
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000288858379
                2s
                   +0 :              -0.00005973494103
                3s
                   +0 :              -0.00003655227547
                2p
                   -1 :               0.00011374492091
                   +0 :              -0.00005247908353
                   +1 :              -0.00010094560240
                3p
                   -1 :              -0.00005534931070
                   +0 :               0.00004162924958
                   +1 :               0.00002783147585
                3d
                   -2 :              -0.00000114348712
                   -1 :              -0.00000696175401
                   +0 :               0.00000101299774
                   +1 :               0.00000072949251
                   +2 :              -0.00000018243689
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00003943538650
                2s
                   +0 :              -0.00043834985760
                3s
                   +0 :               0.00006430453341
                2p
                   -1 :               0.00021697171256
                   +0 :               0.00012904482098
                   +1 :              -0.00004835881544
                3p
                   -1 :              -0.00006491390093
                   +0 :              -0.00007927924324
                   +1 :              -0.00002127103605
                3d
                   -2 :               0.00001160501873
                   -1 :               0.00000889674654
                   +0 :               0.00000684876018
                   +1 :              -0.00001349968664
                   +2 :              -0.00001163016172
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00008079389315
                2s
                   +0 :              -0.00066437160723
                3s
                   +0 :               0.00017308098771
                2p
                   -1 :              -0.00007227578133
                   +0 :               0.00021039283267
                   +1 :              -0.00011546645627
                3p
                   -1 :               0.00000522122707
                   +0 :              -0.00010727105598
                   +1 :              -0.00000051016246
                3d
                   -2 :              -0.00000963162583
                   -1 :              -0.00000326066208
                   +0 :              -0.00000426949316
                   +1 :              -0.00000230286139
                   +2 :              -0.00000471224533
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00002682554745
                2s
                   +0 :              -0.00022299484531
                3s
                   +0 :               0.00004187289189
                2p
                   -1 :              -0.00016076122790
                   +0 :               0.00006098976274
                   +1 :               0.00014454032354
                3p
                   -1 :               0.00007567898419
                   +0 :              -0.00001247475956
                   +1 :              -0.00009003023836
                3d
                   -2 :              -0.00000305720626
                   -1 :               0.00000138233382
                   +0 :               0.00000484120550
                   +1 :               0.00000699402926
                   +2 :              -0.00000017853396
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000405149541
                2s
                   +0 :               0.00002432298053
                3s
                   +0 :               0.00000390070726
                2p
                   -1 :              -0.00026242361788
                   +0 :               0.00026484696724
                   +1 :              -0.00003708752402
                3p
                   -1 :               0.00007562498821
                   +0 :              -0.00018729100586
                   +1 :               0.00009181721603
                3d
                   -2 :               0.00000357982230
                   -1 :               0.00000072516571
                   +0 :               0.00000465948154
                   +1 :               0.00000091615952
                   +2 :              -0.00000693363803
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00016529717841
                2s
                   +0 :               0.00157438026293
                3s
                   +0 :              -0.00032349050119
                2p
                   -1 :              -0.00003033017240
                   +0 :               0.00012480750769
                   +1 :              -0.00063016065798
                3p
                   -1 :               0.00006309866034
                   +0 :              -0.00003975865875
                   +1 :               0.00015031974814
                3d
                   -2 :              -0.00000418259093
                   -1 :               0.00000411273261
                   +0 :               0.00000294073061
                   +1 :              -0.00002657261095
                   +2 :               0.00000152052061
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002538464196
                2s
                   +0 :               0.00024152876163
                3s
                   +0 :              -0.00001620880055
                2p
                   -1 :               0.00010331490208
                   +0 :               0.00010152744103
                   +1 :               0.00003092621763
                3p
                   -1 :              -0.00003827387690
                   +0 :               0.00009053693219
                   +1 :               0.00002111425566
                3d
                   -2 :               0.00000233781781
                   -1 :               0.00000518179262
                   +0 :               0.00000665551934
                   +1 :               0.00000542194342
                   +2 :              -0.00000495217402
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00004834335309
                2s
                   +0 :               0.00033787036523
                3s
                   +0 :              -0.00012994501390
                2p
                   -1 :              -0.00006810327753
                   +0 :               0.00019283521050
                   +1 :              -0.00009946395856
                3p
                   -1 :               0.00011164844307
                   +0 :              -0.00008808885277
                   +1 :               0.00002316579143
                3d
                   -2 :              -0.00000071265450
                   -1 :               0.00001041921484
                   +0 :              -0.00000946644067
                   +1 :              -0.00000541814140
                   +2 :              -0.00000393841007
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000251508671
                2s
                   +0 :               0.00004755329479
                3s
                   +0 :               0.00003168579522
                2p
                   -1 :              -0.00008720895701
                   +0 :               0.00011632528841
                   +1 :               0.00009794389141
                3p
                   -1 :               0.00002697853388
                   +0 :               0.00002081349741
                   +1 :              -0.00013146000906
                3d
                   -2 :              -0.00000175566126
                   -1 :              -0.00000839301241
                   +0 :              -0.00000257073070
                   +1 :              -0.00001049716825
                   +2 :               0.00000448531576
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 26)  npairs=  15
              1 vec=    -2.174037     -4.491729     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00047273637794
                2s
                   +0 :              -0.00576931355074
                3s
                   +0 :               0.00022448417259
                2p
                   -1 :               0.00193225365367
                   +0 :               0.00319314546885
                   +1 :              -0.00201106818633
                3p
                   -1 :               0.00012100755646
                   +0 :               0.00018337950238
                   +1 :               0.00103995915950
                3d
                   -2 :               0.00007744970532
                   -1 :              -0.00014891165337
                   +0 :              -0.00021209843147
                   +1 :              -0.00004401160944
                   +2 :               0.00004651327977
              2 vec=    -2.174037      4.492029     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00018325434064
                2s
                   +0 :              -0.00089454906519
                3s
                   +0 :               0.00018952175912
                2p
                   -1 :              -0.00172025779713
                   +0 :               0.00177123318490
                   +1 :               0.00211130216813
                3p
                   -1 :               0.00023408536587
                   +0 :               0.00038291125908
                   +1 :               0.00070696042828
                3d
                   -2 :               0.00009720673794
                   -1 :               0.00010357117280
                   +0 :              -0.00013166327808
                   +1 :              -0.00027494340309
                   +2 :              -0.00007190024347
              3 vec=     5.606126      0.000150     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00022990999596
                2s
                   +0 :              -0.00280983274411
                3s
                   +0 :              -0.00013376086592
                2p
                   -1 :              -0.00184337296133
                   +0 :               0.00152046507928
                   +1 :              -0.00230264520167
                3p
                   -1 :               0.00086110420719
                   +0 :               0.00085024021804
                   +1 :               0.00017546326751
                3d
                   -2 :              -0.00003897967065
                   -1 :               0.00015564694138
                   +0 :              -0.00006397515634
                   +1 :               0.00003770310142
                   +2 :              -0.00000567756292
              4 vec=    -9.954199      0.000150     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00007437092596
                2s
                   +0 :              -0.00022817861473
                3s
                   +0 :               0.00048573098956
                2p
                   -1 :              -0.00083733783438
                   +0 :              -0.00031556024367
                   +1 :               0.00043536860866
                3p
                   -1 :               0.00038309882142
                   +0 :               0.00010822616233
                   +1 :              -0.00044934579143
                3d
                   -2 :              -0.00003570501146
                   -1 :              -0.00005409275610
                   +0 :              -0.00001619276287
                   +1 :               0.00006845743039
                   +2 :               0.00003440035402
              5 vec=     5.606126     -8.983608     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00002105433278
                2s
                   +0 :              -0.00039924719276
                3s
                   +0 :              -0.00002534006835
                2p
                   -1 :              -0.00006426863219
                   +0 :              -0.00037287210835
                   +1 :              -0.00036920759749
                3p
                   -1 :               0.00012307546031
                   +0 :               0.00030613542847
                   +1 :               0.00011930884438
                3d
                   -2 :              -0.00001682652272
                   -1 :               0.00000865472853
                   +0 :              -0.00005094041497
                   +1 :               0.00001691821807
                   +2 :               0.00001792831042
              6 vec=     5.606126      8.983908     -8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00005966920156
                2s
                   +0 :              -0.00084600680316
                3s
                   +0 :               0.00006885863187
                2p
                   -1 :              -0.00045996763593
                   +0 :              -0.00022953028744
                   +1 :               0.00006307241541
                3p
                   -1 :               0.00003335983855
                   +0 :               0.00007051327849
                   +1 :              -0.00018888995575
                3d
                   -2 :              -0.00002144534907
                   -1 :              -0.00000714279750
                   +0 :               0.00001435587379
                   +1 :              -0.00002205662300
                   +2 :              -0.00000477385176
              7 vec=    -9.954199     -8.983608     -8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00004751719743
                2s
                   +0 :              -0.00053401229101
                3s
                   +0 :               0.00009031414819
                2p
                   -1 :               0.00021592957355
                   +0 :               0.00024248102371
                   +1 :               0.00018086387603
                3p
                   -1 :              -0.00011729677312
                   +0 :              -0.00011145726204
                   +1 :              -0.00003075961521
                3d
                   -2 :              -0.00000552951271
                   -1 :               0.00000220446494
                   +0 :               0.00002229190142
                   +1 :              -0.00000806354180
                   +2 :              -0.00000318038037
              8 vec=    -9.954199      8.983908     -8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00011890655041
                2s
                   +0 :               0.00136255076535
                3s
                   +0 :              -0.00014856624269
                2p
                   -1 :               0.00031765987515
                   +0 :              -0.00028760707829
                   +1 :              -0.00032771670717
                3p
                   -1 :              -0.00006522230438
                   +0 :               0.00009041550562
                   +1 :               0.00009923596660
                3d
                   -2 :               0.00000190413580
                   -1 :               0.00003013035966
                   +0 :               0.00001119838457
                   +1 :               0.00001255563405
                   +2 :              -0.00000465045903
              9 vec=    -2.174037    -13.475487     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00002350755609
                2s
                   +0 :              -0.00035402382371
                3s
                   +0 :              -0.00001301881341
                2p
                   -1 :               0.00007922227779
                   +0 :               0.00014468171120
                   +1 :              -0.00001729989535
                3p
                   -1 :               0.00007923893120
                   +0 :              -0.00005935542359
                   +1 :               0.00005471826807
                3d
                   -2 :              -0.00000598061532
                   -1 :               0.00000831076294
                   +0 :              -0.00000643717878
                   +1 :               0.00000397773639
                   +2 :               0.00000902655921
             10 vec=    -2.174037     13.475787     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00002408592615
                2s
                   +0 :               0.00021274015264
                3s
                   +0 :              -0.00007923716630
                2p
                   -1 :              -0.00000975326203
                   +0 :               0.00003047309645
                   +1 :               0.00010514589729
                3p
                   -1 :               0.00001032409046
                   +0 :               0.00003283029796
                   +1 :               0.00008853195886
                3d
                   -2 :               0.00001013917475
                   -1 :               0.00000817238414
                   +0 :              -0.00000280548686
                   +1 :              -0.00001140704931
                   +2 :               0.00000017672979
             11 vec=    13.386289     -4.491729     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000628058672
                2s
                   +0 :              -0.00009646480682
                3s
                   +0 :               0.00000201045892
                2p
                   -1 :              -0.00001343491594
                   +0 :              -0.00006379864812
                   +1 :              -0.00000714910310
                3p
                   -1 :               0.00004126498062
                   +0 :               0.00003475530499
                   +1 :              -0.00004761550732
                3d
                   -2 :              -0.00000103920077
                   -1 :               0.00000537510484
                   +0 :               0.00000722130758
                   +1 :              -0.00000305917601
                   +2 :               0.00000550249443
             12 vec=    13.386289      4.492029     -8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00002003511597
                2s
                   +0 :              -0.00025818097726
                3s
                   +0 :               0.00000780166259
                2p
                   -1 :               0.00001596017255
                   +0 :              -0.00008205033697
                   +1 :               0.00004939475814
                3p
                   -1 :              -0.00004765993408
                   +0 :               0.00009427380850
                   +1 :              -0.00012840300783
                3d
                   -2 :              -0.00000006736111
                   -1 :               0.00000391839526
                   +0 :              -0.00000638097901
                   +1 :               0.00000543214451
                   +2 :              -0.00000476559333
             13 vec=    -2.174037     -4.491729     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00002039492681
                2s
                   +0 :               0.00023164720472
                3s
                   +0 :              -0.00003136052964
                2p
                   -1 :               0.00013828807290
                   +0 :               0.00025633831523
                   +1 :              -0.00008286206980
                3p
                   -1 :              -0.00002396253167
                   +0 :              -0.00008451202015
                   +1 :               0.00002151732289
                3d
                   -2 :              -0.00000358563889
                   -1 :               0.00001225908081
                   +0 :              -0.00000330337875
                   +1 :              -0.00000009346277
                   +2 :               0.00000762048924
             14 vec=    -2.174037      4.492029     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00004058291851
                2s
                   +0 :               0.00029194737630
                3s
                   +0 :              -0.00010316612148
                2p
                   -1 :               0.00023288869074
                   +0 :               0.00030985161333
                   +1 :              -0.00008022066690
                3p
                   -1 :              -0.00012604585720
                   +0 :              -0.00017185183826
                   +1 :               0.00008474573583
                3d
                   -2 :               0.00000244582750
                   -1 :               0.00000126234041
                   +0 :               0.00000000837572
                   +1 :               0.00000909387624
                   +2 :              -0.00000343576625
             15 vec=     5.606126      0.000150     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001501741695
                2s
                   +0 :               0.00017499477319
                3s
                   +0 :               0.00000315814078
                2p
                   -1 :              -0.00002727497287
                   +0 :               0.00016998271917
                   +1 :              -0.00004048247789
                3p
                   -1 :              -0.00005198056010
                   +0 :               0.00000807256713
                   +1 :               0.00003877191992
                3d
                   -2 :               0.00000019502248
                   -1 :              -0.00001180211237
                   +0 :               0.00000321481323
                   +1 :               0.00000609822516
                   +2 :              -0.00000691527894
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 27)  npairs=  14
              1 vec=     0.209546     -0.363243     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00057980180235
                2s
                   +0 :              -0.00314542163276
                3s
                   +0 :               0.00164667723205
                2p
                   -1 :               0.00202384581843
                   +0 :               0.00521904438387
                   +1 :               0.00206425492326
                3p
                   -1 :              -0.00128748171374
                   +0 :              -0.00383994962899
                   +1 :              -0.00130871471849
                3d
                   -2 :               0.00003386248631
                   -1 :              -0.00008431495191
                   +0 :               0.00070285942285
                   +1 :               0.00002192488491
                   +2 :               0.00009793750662
              2 vec=     0.209546      8.620515     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00003164125733
                2s
                   +0 :              -0.00006554451048
                3s
                   +0 :              -0.00009506080082
                2p
                   -1 :              -0.00060830747645
                   +0 :              -0.00009370175924
                   +1 :               0.00009625360323
                3p
                   -1 :               0.00033684346982
                   +0 :              -0.00005481333677
                   +1 :               0.00012686753848
                3d
                   -2 :              -0.00000483700080
                   -1 :              -0.00001696491544
                   +0 :               0.00005633656367
                   +1 :               0.00003300518159
                   +2 :              -0.00002695466246
              3 vec=    -7.570617      4.128636     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00094583058062
                2s
                   +0 :               0.00941043266968
                3s
                   +0 :              -0.00168786854558
                2p
                   -1 :              -0.00006113455243
                   +0 :              -0.00390859270295
                   +1 :              -0.00032343966175
                3p
                   -1 :              -0.00017652383408
                   +0 :               0.00083762018513
                   +1 :              -0.00020909868348
                3d
                   -2 :              -0.00005279003443
                   -1 :               0.00001025062577
                   +0 :               0.00033319704471
                   +1 :               0.00020614789611
                   +2 :               0.00010571019888
              4 vec=     7.989708      4.128636     -8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00000152593974
                2s
                   +0 :              -0.00081727929298
                3s
                   +0 :              -0.00017111813954
                2p
                   -1 :              -0.00003930651652
                   +0 :              -0.00012474595628
                   +1 :              -0.00045689018367
                3p
                   -1 :              -0.00025090124878
                   +0 :               0.00009707079705
                   +1 :              -0.00002312817559
                3d
                   -2 :              -0.00001357507013
                   -1 :               0.00003189795314
                   +0 :               0.00001103547331
                   +1 :               0.00001706100487
                   +2 :               0.00001919030265
              5 vec=    -7.570617     -4.855122     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00008810104785
                2s
                   +0 :              -0.00080171338065
                3s
                   +0 :               0.00010541419101
                2p
                   -1 :               0.00061950416350
                   +0 :              -0.00003158432338
                   +1 :               0.00082393787174
                3p
                   -1 :              -0.00045168404126
                   +0 :               0.00011006352618
                   +1 :              -0.00030106306248
                3d
                   -2 :               0.00000944054988
                   -1 :               0.00000366056209
                   +0 :              -0.00003846399314
                   +1 :               0.00000455005505
                   +2 :               0.00002977680341
              6 vec=     7.989708     -4.855122     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00007842382278
                2s
                   +0 :              -0.00064772599345
                3s
                   +0 :               0.00019988573180
                2p
                   -1 :               0.00050346320970
                   +0 :              -0.00016021344555
                   +1 :              -0.00060369650985
                3p
                   -1 :              -0.00030102452187
                   +0 :               0.00014589719298
                   +1 :               0.00034471023783
                3d
                   -2 :              -0.00003236082460
                   -1 :               0.00002922184194
                   +0 :              -0.00004009391906
                   +1 :               0.00002348865926
                   +2 :               0.00001238443741
              7 vec=     0.209546     -9.347001     -8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00008687730624
                2s
                   +0 :              -0.00128935566346
                3s
                   +0 :               0.00014615294403
                2p
                   -1 :               0.00108742755201
                   +0 :               0.00051814313040
                   +1 :               0.00017024855048
                3p
                   -1 :              -0.00042383910369
                   +0 :              -0.00048135499674
                   +1 :              -0.00018971587026
                3d
                   -2 :               0.00002163553617
                   -1 :               0.00000684779256
                   +0 :              -0.00000598145401
                   +1 :              -0.00000661271739
                   +2 :               0.00000982452063
              8 vec=     0.209546     -0.363243     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001691953561
                2s
                   +0 :              -0.00012139673057
                3s
                   +0 :               0.00007877010637
                2p
                   -1 :              -0.00008516755537
                   +0 :              -0.00004169667224
                   +1 :              -0.00008913712848
                3p
                   -1 :               0.00008810305360
                   +0 :               0.00008562124775
                   +1 :               0.00009941642681
                3d
                   -2 :              -0.00000129196421
                   -1 :               0.00000441920134
                   +0 :               0.00001116703152
                   +1 :               0.00000238428147
                   +2 :               0.00001043181184
              9 vec=    -7.570617     13.112394     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00004547973432
                2s
                   +0 :               0.00057871916598
                3s
                   +0 :              -0.00005284719239
                2p
                   -1 :               0.00012820703851
                   +0 :               0.00005438343420
                   +1 :               0.00006262452217
                3p
                   -1 :               0.00009039489745
                   +0 :              -0.00009405725946
                   +1 :              -0.00001482259843
                3d
                   -2 :              -0.00000067452577
                   -1 :              -0.00001351209482
                   +0 :              -0.00001812528642
                   +1 :              -0.00001609707744
                   +2 :              -0.00000682166661
             10 vec=     7.989708     13.112394     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00003586683476
                2s
                   +0 :              -0.00038980040318
                3s
                   +0 :               0.00005227675663
                2p
                   -1 :              -0.00024223432307
                   +0 :               0.00010032808743
                   +1 :              -0.00007800239218
                3p
                   -1 :               0.00010204876035
                   +0 :              -0.00002184200779
                   +1 :              -0.00000467311990
                3d
                   -2 :              -0.00000842813641
                   -1 :               0.00000420375324
                   +0 :              -0.00000282151948
                   +1 :               0.00000974484027
                   +2 :              -0.00000261383349
             11 vec=   -15.350780     -0.363243     -8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00003565406016
                2s
                   +0 :               0.00030542249257
                3s
                   +0 :              -0.00007399129373
                2p
                   -1 :              -0.00031420272210
                   +0 :               0.00006164414125
                   +1 :              -0.00005746311116
                3p
                   -1 :               0.00013691257229
                   +0 :              -0.00001703462502
                   +1 :               0.00003603910909
                3d
                   -2 :              -0.00000211072262
                   -1 :               0.00000043281425
                   +0 :              -0.00000900522295
                   +1 :              -0.00000886674872
                   +2 :              -0.00000479207639
             12 vec=    15.769871     -0.363243     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00001635380609
                2s
                   +0 :              -0.00018741370169
                3s
                   +0 :               0.00001118042752
                2p
                   -1 :               0.00008286073527
                   +0 :              -0.00005853925599
                   +1 :              -0.00014583721009
                3p
                   -1 :              -0.00004103197676
                   +0 :               0.00005754367436
                   +1 :               0.00002726039866
                3d
                   -2 :              -0.00000241232501
                   -1 :               0.00000359341598
                   +0 :              -0.00000416872592
                   +1 :               0.00000600915460
                   +2 :              -0.00000536193909
             13 vec=    -7.570617    -13.838880     -8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00004795543311
                2s
                   +0 :              -0.00044443571260
                3s
                   +0 :               0.00008440805005
                2p
                   -1 :               0.00005431367843
                   +0 :               0.00004178671986
                   +1 :               0.00007846825382
                3p
                   -1 :               0.00004696644364
                   +0 :               0.00002706868225
                   +1 :              -0.00004213833185
                3d
                   -2 :              -0.00000200102141
                   -1 :              -0.00000126280022
                   +0 :              -0.00000239208544
                   +1 :               0.00000360580344
                   +2 :               0.00000230225868
             14 vec=     7.989708    -13.838880     -8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00000685028484
                2s
                   +0 :              -0.00011500618502
                3s
                   +0 :              -0.00000511119857
                2p
                   -1 :               0.00002907235709
                   +0 :              -0.00000398945544
                   +1 :              -0.00002298418140
                3p
                   -1 :               0.00001874141295
                   +0 :              -0.00000022814177
                   +1 :              -0.00002875964201
                3d
                   -2 :              -0.00000026839786
                   -1 :               0.00000152537507
                   +0 :               0.00000182705070
                   +1 :               0.00000274978268
                   +2 :               0.00000149195599
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 28)  npairs=  14
              1 vec=    -2.174555     -1.739106      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00298334776142
                2s
                   +0 :               0.08434529336982
                3s
                   +0 :              -0.00524634448304
                2p
                   -1 :              -0.02562679910540
                   +0 :               0.04692110623882
                   +1 :              -0.03150670069724
                3p
                   -1 :               0.00323760123036
                   +0 :              -0.00755491572467
                   +1 :               0.00426023433344
                3d
                   -2 :               0.00233419016675
                   -1 :              -0.00112045326737
                   +0 :               0.00090738498739
                   +1 :              -0.00154212263243
                   +2 :               0.00038855020777
              2 vec=     5.605607      2.752773      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00039237266278
                2s
                   +0 :               0.00320071484794
                3s
                   +0 :              -0.00120392626363
                2p
                   -1 :               0.00399376025952
                   +0 :               0.00147365969642
                   +1 :               0.00264835895886
                3p
                   -1 :              -0.00244566606297
                   +0 :              -0.00031787032165
                   +1 :              -0.00089033914836
                3d
                   -2 :              -0.00015383936036
                   -1 :              -0.00009753578957
                   +0 :               0.00047536222643
                   +1 :              -0.00008033337491
                   +2 :              -0.00018189551526
              3 vec=    -2.174555      7.244652      4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00006318222871
                2s
                   +0 :              -0.00199779509210
                3s
                   +0 :              -0.00056337067565
                2p
                   -1 :               0.00189364288303
                   +0 :              -0.00498277632059
                   +1 :              -0.00214275591371
                3p
                   -1 :              -0.00188041835918
                   +0 :               0.00073733086020
                   +1 :              -0.00035770891051
                3d
                   -2 :              -0.00021104830952
                   -1 :              -0.00042686672594
                   +0 :              -0.00013482747955
                   +1 :               0.00004931319165
                   +2 :               0.00016952292527
              4 vec=     5.605607     -6.230985      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00041452917291
                2s
                   +0 :               0.00326124940560
                3s
                   +0 :              -0.00093446634691
                2p
                   -1 :              -0.00278789618449
                   +0 :               0.00059945357443
                   +1 :               0.00139292987180
                3p
                   -1 :               0.00055262435316
                   +0 :              -0.00157785028531
                   +1 :              -0.00063554411735
                3d
                   -2 :              -0.00005049998013
                   -1 :               0.00017281293531
                   +0 :              -0.00000989693109
                   +1 :              -0.00010585062497
                   +2 :              -0.00007169791531
              5 vec=    -9.954718      2.752773      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00019326987611
                2s
                   +0 :              -0.00113295178627
                3s
                   +0 :               0.00034562849574
                2p
                   -1 :              -0.00111261074371
                   +0 :               0.00120568924203
                   +1 :              -0.00063507722201
                3p
                   -1 :               0.00075938353212
                   +0 :              -0.00126829163872
                   +1 :               0.00072158429791
                3d
                   -2 :               0.00000518176699
                   -1 :               0.00001142135420
                   +0 :               0.00007483917589
                   +1 :               0.00005909713213
                   +2 :              -0.00013289831701
              6 vec=    -2.174555    -10.722864      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00002180979487
                2s
                   +0 :               0.00001051869261
                3s
                   +0 :               0.00003682696407
                2p
                   -1 :              -0.00041738506202
                   +0 :              -0.00007914957705
                   +1 :               0.00022372871899
                3p
                   -1 :               0.00047279067129
                   +0 :              -0.00011165633200
                   +1 :              -0.00020861284698
                3d
                   -2 :              -0.00001254584504
                   -1 :              -0.00003987885161
                   +0 :               0.00000091356011
                   +1 :               0.00000747846000
                   +2 :               0.00000761922671
              7 vec=    -9.954718     -6.230985      4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00003299753038
                2s
                   +0 :              -0.00032679265771
                3s
                   +0 :              -0.00005141352913
                2p
                   -1 :               0.00053430796931
                   +0 :               0.00008128605757
                   +1 :              -0.00031091573422
                3p
                   -1 :              -0.00010770020596
                   +0 :               0.00001712167078
                   +1 :               0.00025417260608
                3d
                   -2 :              -0.00002547112962
                   -1 :               0.00000190795969
                   +0 :               0.00001390939722
                   +1 :               0.00000482769554
                   +2 :               0.00001847654970
              8 vec=     5.605607     11.736531      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00000023978340
                2s
                   +0 :               0.00025539119646
                3s
                   +0 :               0.00016880975634
                2p
                   -1 :               0.00005018664755
                   +0 :               0.00016436712166
                   +1 :               0.00022075430985
                3p
                   -1 :               0.00046552358886
                   +0 :               0.00000726308085
                   +1 :               0.00007383825020
                3d
                   -2 :               0.00005505744984
                   -1 :               0.00003031908373
                   +0 :              -0.00001902751486
                   +1 :               0.00001588121856
                   +2 :              -0.00004125886951
              9 vec=    13.385770     -1.739106      4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00004997331386
                2s
                   +0 :               0.00060431004587
                3s
                   +0 :              -0.00002590509852
                2p
                   -1 :               0.00005097241132
                   +0 :              -0.00003015925988
                   +1 :               0.00011569212679
                3p
                   -1 :              -0.00007115023110
                   +0 :               0.00006397421346
                   +1 :               0.00020500354347
                3d
                   -2 :              -0.00000664588758
                   -1 :               0.00001772197624
                   +0 :              -0.00002497879795
                   +1 :               0.00001270274326
                   +2 :               0.00002261181560
             10 vec=    13.385770      7.244652      4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000278803338
                2s
                   +0 :               0.00009616050642
                3s
                   +0 :              -0.00000420460934
                2p
                   -1 :               0.00010225894205
                   +0 :               0.00005295864035
                   +1 :               0.00002135307671
                3p
                   -1 :              -0.00002778625785
                   +0 :              -0.00005708699766
                   +1 :               0.00006028952745
                3d
                   -2 :               0.00000315033473
                   -1 :              -0.00000005934901
                   +0 :              -0.00000019476021
                   +1 :              -0.00000145685678
                   +2 :               0.00000379989214
             11 vec=    -9.954718     11.736531      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00003556344745
                2s
                   +0 :               0.00016309670967
                3s
                   +0 :              -0.00009317981914
                2p
                   -1 :              -0.00009996244406
                   +0 :               0.00015223251973
                   +1 :               0.00007399427412
                3p
                   -1 :               0.00007228939891
                   +0 :              -0.00010930081555
                   +1 :              -0.00002406637718
                3d
                   -2 :               0.00000216010395
                   -1 :              -0.00001575198706
                   +0 :              -0.00000255084890
                   +1 :               0.00001420358797
                   +2 :               0.00000401575057
             12 vec=     5.605607    -15.214743      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00001219828488
                2s
                   +0 :              -0.00002453658354
                3s
                   +0 :               0.00006557611013
                2p
                   -1 :              -0.00006074639997
                   +0 :              -0.00004537737510
                   +1 :              -0.00008695471278
                3p
                   -1 :              -0.00000799664114
                   +0 :               0.00001478175954
                   +1 :               0.00001691740382
                3d
                   -2 :              -0.00000090828383
                   -1 :              -0.00000243552644
                   +0 :              -0.00000428657075
                   +1 :              -0.00000326531143
                   +2 :               0.00000070916694
             13 vec=    -2.174555     16.228410      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00000028900543
                2s
                   +0 :              -0.00005948811542
                3s
                   +0 :              -0.00000576662547
                2p
                   -1 :              -0.00004423112634
                   +0 :              -0.00003086484117
                   +1 :               0.00000358294302
                3p
                   -1 :               0.00004646237501
                   +0 :               0.00004140377694
                   +1 :               0.00003312808622
                3d
                   -2 :               0.00000256868672
                   -1 :               0.00000611495911
                   +0 :               0.00000157942693
                   +1 :              -0.00000214523876
                   +2 :              -0.00000918986925
             14 vec=    13.385770    -10.722864      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00002462944775
                2s
                   +0 :               0.00024643356273
                3s
                   +0 :              -0.00003834562165
                2p
                   -1 :               0.00000903009618
                   +0 :              -0.00000095067664
                   +1 :               0.00008785852019
                3p
                   -1 :              -0.00002010208416
                   +0 :              -0.00000663704073
                   +1 :              -0.00001835990304
                3d
                   -2 :               0.00000651245931
                   -1 :               0.00000446268060
                   +0 :              -0.00000059016512
                   +1 :               0.00000049396509
                   +2 :               0.00000384811828
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 29)  npairs=  14
              1 vec=     2.593647     -1.739106      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00338445946262
                2s
                   +0 :               0.06230440190328
                3s
                   +0 :              -0.00471331948863
                2p
                   -1 :              -0.01875926490237
                   +0 :               0.03114679208050
                   +1 :               0.02292989012208
                3p
                   -1 :               0.00262269441167
                   +0 :              -0.00022551886058
                   +1 :              -0.00048108601339
                3d
                   -2 :              -0.00161268161368
                   -1 :              -0.00256660839424
                   +0 :               0.00131813065714
                   +1 :               0.00256381806866
                   +2 :               0.00008309320551
              2 vec=    -5.186516      2.752773      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00187329362701
                2s
                   +0 :               0.01219236217082
                3s
                   +0 :              -0.00685584387786
                2p
                   -1 :               0.00619581589007
                   +0 :               0.00554062060820
                   +1 :              -0.01272251162382
                3p
                   -1 :              -0.00474903603267
                   +0 :              -0.00473941973594
                   +1 :               0.00911023742295
                3d
                   -2 :               0.00055710465197
                   -1 :              -0.00027179954806
                   +0 :               0.00038210534816
                   +1 :               0.00043691933242
                   +2 :              -0.00036152259592
              3 vec=     2.593647      7.244652      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00002361861899
                2s
                   +0 :               0.00033898092553
                3s
                   +0 :               0.00020367325228
                2p
                   -1 :               0.00429409336248
                   +0 :              -0.00325010852515
                   +1 :               0.00406110183436
                3p
                   -1 :              -0.00165812491653
                   +0 :               0.00049731514401
                   +1 :              -0.00178246010025
                3d
                   -2 :               0.00010138511863
                   -1 :              -0.00019086499401
                   +0 :              -0.00012699637490
                   +1 :              -0.00009514530832
                   +2 :              -0.00001669822035
              4 vec=    -5.186516     -6.230985      4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00009549575207
                2s
                   +0 :               0.00063011376787
                3s
                   +0 :              -0.00006209885491
                2p
                   -1 :              -0.00229715332784
                   +0 :              -0.00213583729739
                   +1 :               0.00002496292628
                3p
                   -1 :              -0.00017393605382
                   +0 :               0.00038490879883
                   +1 :              -0.00108919840019
                3d
                   -2 :               0.00025834865280
                   -1 :               0.00006471687308
                   +0 :              -0.00016346149764
                   +1 :               0.00003072748542
                   +2 :              -0.00003171265896
              5 vec=    10.373810      2.752773      4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00008945799839
                2s
                   +0 :               0.00104741500402
                3s
                   +0 :              -0.00025556374929
                2p
                   -1 :              -0.00021589857381
                   +0 :              -0.00005102302066
                   +1 :               0.00080863716467
                3p
                   -1 :               0.00039822030553
                   +0 :               0.00002317833263
                   +1 :              -0.00047131322990
                3d
                   -2 :               0.00000441426033
                   -1 :               0.00000093102817
                   +0 :               0.00002552563560
                   +1 :              -0.00002902587116
                   +2 :              -0.00006746491145
              6 vec=     2.593647    -10.722864      4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00011887363723
                2s
                   +0 :               0.00086525495887
                3s
                   +0 :              -0.00034729792497
                2p
                   -1 :              -0.00091624814887
                   +0 :              -0.00033860997093
                   +1 :              -0.00038075734294
                3p
                   -1 :               0.00078562068471
                   +0 :               0.00020499492574
                   +1 :               0.00019262589868
                3d
                   -2 :               0.00004509328385
                   -1 :               0.00000109579216
                   +0 :               0.00002520202618
                   +1 :              -0.00000779246086
                   +2 :               0.00005509360054
              7 vec=    10.373810     -6.230985      4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00005072990550
                2s
                   +0 :               0.00066165936234
                3s
                   +0 :              -0.00007146888879
                2p
                   -1 :               0.00014919476525
                   +0 :               0.00039434661498
                   +1 :               0.00021623002259
                3p
                   -1 :              -0.00013706391658
                   +0 :              -0.00012990849600
                   +1 :               0.00001201663497
                3d
                   -2 :               0.00001514567396
                   -1 :              -0.00001389629925
                   +0 :               0.00001038741888
                   +1 :              -0.00002340788861
                   +2 :              -0.00003491787590
              8 vec=    -5.186516     11.736531      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00001816079777
                2s
                   +0 :               0.00003063016720
                3s
                   +0 :               0.00008751048120
                2p
                   -1 :               0.00010903842982
                   +0 :               0.00012411378884
                   +1 :              -0.00005382223305
                3p
                   -1 :               0.00013154693175
                   +0 :              -0.00004458548118
                   +1 :              -0.00005580728663
                3d
                   -2 :              -0.00002429540714
                   -1 :               0.00000270646950
                   +0 :              -0.00003529432008
                   +1 :               0.00000463444260
                   +2 :              -0.00001901283615
              9 vec=   -12.966678     -1.739106      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00005445098127
                2s
                   +0 :              -0.00036010267388
                3s
                   +0 :               0.00011395389376
                2p
                   -1 :              -0.00036530590922
                   +0 :              -0.00009147747979
                   +1 :              -0.00006263547631
                3p
                   -1 :               0.00026392250433
                   +0 :               0.00009140957789
                   +1 :               0.00006265713518
                3d
                   -2 :               0.00001945534929
                   -1 :               0.00001468374990
                   +0 :              -0.00001920910594
                   +1 :              -0.00001554077103
                   +2 :              -0.00001019488621
             10 vec=   -12.966678      7.244652      4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00006083563745
                2s
                   +0 :               0.00047529029821
                3s
                   +0 :              -0.00014468229040
                2p
                   -1 :               0.00013928501065
                   +0 :               0.00037462083493
                   +1 :              -0.00023817078750
                3p
                   -1 :              -0.00010870594207
                   +0 :              -0.00016512538581
                   +1 :               0.00012837407175
                3d
                   -2 :              -0.00000785970362
                   -1 :               0.00000371622860
                   +0 :              -0.00001204812531
                   +1 :               0.00001010048463
                   +2 :               0.00001274113149
             11 vec=    10.373810     11.736531      4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000990507354
                2s
                   +0 :               0.00004334460528
                3s
                   +0 :              -0.00000917096018
                2p
                   -1 :               0.00000719071550
                   +0 :              -0.00005678700980
                   +1 :               0.00000426651883
                3p
                   -1 :               0.00001423606493
                   +0 :               0.00002182152752
                   +1 :               0.00004753281321
                3d
                   -2 :               0.00000074203403
                   -1 :               0.00000248141040
                   +0 :              -0.00001322519568
                   +1 :               0.00000882104037
                   +2 :               0.00000769969611
             12 vec=    -5.186516    -15.214743      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00003154114204
                2s
                   +0 :              -0.00024325898814
                3s
                   +0 :               0.00007902098738
                2p
                   -1 :               0.00008768825416
                   +0 :               0.00001562472892
                   +1 :               0.00007426828524
                3p
                   -1 :              -0.00005442775369
                   +0 :              -0.00005985654215
                   +1 :              -0.00005314806510
                3d
                   -2 :               0.00000031939086
                   -1 :               0.00000397673884
                   +0 :              -0.00000431751353
                   +1 :              -0.00000441957392
                   +2 :              -0.00000074031795
             13 vec=     2.593647     16.228410      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00002182693989
                2s
                   +0 :              -0.00026552306105
                3s
                   +0 :               0.00004065068815
                2p
                   -1 :              -0.00013459324604
                   +0 :              -0.00016672156217
                   +1 :              -0.00002521139203
                3p
                   -1 :               0.00005867668328
                   +0 :               0.00009353019806
                   +1 :              -0.00002429051440
                3d
                   -2 :               0.00000133062361
                   -1 :               0.00000007361071
                   +0 :               0.00000338620336
                   +1 :              -0.00000412530249
                   +2 :              -0.00000233503456
             14 vec=   -12.966678    -10.722864      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00003099678786
                2s
                   +0 :              -0.00031881956545
                3s
                   +0 :               0.00005414241858
                2p
                   -1 :               0.00010254750500
                   +0 :              -0.00000913737471
                   +1 :               0.00002152243006
                3p
                   -1 :              -0.00000746963441
                   +0 :              -0.00005536376525
                   +1 :               0.00000880623097
                3d
                   -2 :              -0.00000425831136
                   -1 :               0.00000295321772
                   +0 :              -0.00000220684645
                   +1 :               0.00000244627983
                   +2 :               0.00000094052077
WF             site_B          number of pairs
WF(  7)=[O_1_2pz]  to site O ( 30)  npairs=  14
              1 vec=     0.209546      3.115268      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00280189371072
                2s
                   +0 :               0.06256074457812
                3s
                   +0 :              -0.00446679099523
                2p
                   -1 :               0.02917053687729
                   +0 :               0.02275916691657
                   +1 :              -0.00290058911021
                3p
                   -1 :               0.00027987497039
                   +0 :               0.00381827265978
                   +1 :               0.00446154958642
                3d
                   -2 :               0.00006887399774
                   -1 :               0.00339047865543
                   +0 :               0.00143375874473
                   +1 :              -0.00059526871727
                   +2 :              -0.00120470063487
              2 vec=     0.209546     -5.868490      4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00016016862560
                2s
                   +0 :              -0.00157646856535
                3s
                   +0 :               0.00086513393643
                2p
                   -1 :              -0.00035606860579
                   +0 :               0.00129924137301
                   +1 :              -0.00171309606555
                3p
                   -1 :              -0.00102309458455
                   +0 :              -0.00076124514493
                   +1 :               0.00116239854828
                3d
                   -2 :              -0.00000135516990
                   -1 :               0.00011968709324
                   +0 :              -0.00028749380816
                   +1 :               0.00004796903425
                   +2 :               0.00010911175707
              3 vec=    -7.570617     -1.376611      4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00054861621542
                2s
                   +0 :              -0.00565364428717
                3s
                   +0 :               0.00111666096955
                2p
                   -1 :               0.00347227051729
                   +0 :              -0.00395258851772
                   +1 :               0.00025991009856
                3p
                   -1 :              -0.00138226003242
                   +0 :               0.00044156882168
                   +1 :              -0.00037940121512
                3d
                   -2 :              -0.00015449631836
                   -1 :              -0.00006779543774
                   +0 :              -0.00024659301098
                   +1 :               0.00034882355304
                   +2 :               0.00005712586033
              4 vec=     7.989708     -1.376611      4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00003522309634
                2s
                   +0 :               0.00043372421775
                3s
                   +0 :               0.00047794566284
                2p
                   -1 :              -0.00058825708701
                   +0 :              -0.00134144330729
                   +1 :               0.00290099497834
                3p
                   -1 :               0.00133307457594
                   +0 :               0.00014277549242
                   +1 :              -0.00116870741368
                3d
                   -2 :               0.00014688306264
                   -1 :               0.00000226201163
                   +0 :               0.00000611324478
                   +1 :              -0.00017349176649
                   +2 :               0.00008376799601
              5 vec=    -7.570617      7.607147      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00027963778250
                2s
                   +0 :              -0.00179584214767
                3s
                   +0 :               0.00080637911663
                2p
                   -1 :              -0.00110472134253
                   +0 :               0.00065558760626
                   +1 :               0.00075563968946
                3p
                   -1 :               0.00088813490454
                   +0 :              -0.00060203294101
                   +1 :              -0.00040037704246
                3d
                   -2 :              -0.00001326864385
                   -1 :              -0.00002581877739
                   +0 :              -0.00005275332502
                   +1 :               0.00001317047860
                   +2 :              -0.00007274448539
              6 vec=     7.989708      7.607147      4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00003413484277
                2s
                   +0 :              -0.00002884689955
                3s
                   +0 :               0.00021297873829
                2p
                   -1 :               0.00019279858683
                   +0 :              -0.00026657794098
                   +1 :               0.00012181307936
                3p
                   -1 :              -0.00001140036867
                   +0 :               0.00015262707975
                   +1 :               0.00010816903441
                3d
                   -2 :               0.00001468276194
                   -1 :              -0.00000617560674
                   +0 :              -0.00002800408989
                   +1 :               0.00000913516807
                   +2 :               0.00000328477471
              7 vec=     0.209546     12.099026      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00009987089120
                2s
                   +0 :              -0.00069332877295
                3s
                   +0 :               0.00027813125551
                2p
                   -1 :              -0.00043361840899
                   +0 :              -0.00011038624281
                   +1 :              -0.00044311973299
                3p
                   -1 :               0.00025982878654
                   +0 :               0.00024822823411
                   +1 :               0.00019138490861
                3d
                   -2 :              -0.00000466858058
                   -1 :               0.00002647025625
                   +0 :              -0.00003649140329
                   +1 :              -0.00001259003805
                   +2 :               0.00000267253020
              8 vec=    -7.570617    -10.360369      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00007499686362
                2s
                   +0 :               0.00075554998868
                3s
                   +0 :              -0.00021346322965
                2p
                   -1 :              -0.00088871641880
                   +0 :              -0.00002158030203
                   +1 :              -0.00046509572497
                3p
                   -1 :               0.00036440976451
                   +0 :               0.00003132859032
                   +1 :               0.00007929617414
                3d
                   -2 :               0.00003598061590
                   -1 :              -0.00001620773629
                   +0 :              -0.00001481830893
                   +1 :               0.00000364202265
                   +2 :               0.00001661041178
              9 vec=     7.989708    -10.360369      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00002461940609
                2s
                   +0 :               0.00067593445737
                3s
                   +0 :               0.00008640916657
                2p
                   -1 :              -0.00073827989873
                   +0 :               0.00011807099484
                   +1 :               0.00033467984738
                3p
                   -1 :               0.00023454169850
                   +0 :              -0.00008516211706
                   +1 :              -0.00006784864529
                3d
                   -2 :              -0.00002172679628
                   -1 :               0.00001649758021
                   +0 :              -0.00000219087900
                   +1 :              -0.00003338315818
                   +2 :               0.00000273093619
             10 vec=     0.209546    -14.852248      4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00004443892393
                2s
                   +0 :              -0.00025484070876
                3s
                   +0 :               0.00011977169841
                2p
                   -1 :               0.00011761325394
                   +0 :              -0.00008511427460
                   +1 :              -0.00003683635779
                3p
                   -1 :              -0.00012436005798
                   +0 :               0.00004242081315
                   +1 :              -0.00001292828064
                3d
                   -2 :               0.00000323087070
                   -1 :              -0.00000450550274
                   +0 :               0.00000155141851
                   +1 :              -0.00000049734868
                   +2 :              -0.00000921414994
             11 vec=   -15.350780      3.115268      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00002412083126
                2s
                   +0 :              -0.00018526188170
                3s
                   +0 :               0.00007374052012
                2p
                   -1 :              -0.00000692184290
                   +0 :              -0.00002133620839
                   +1 :               0.00024633414212
                3p
                   -1 :              -0.00007827715715
                   +0 :               0.00001293682629
                   +1 :              -0.00022417662851
                3d
                   -2 :               0.00000916150710
                   -1 :              -0.00000939032629
                   +0 :              -0.00000585112224
                   +1 :               0.00000063593322
                   +2 :               0.00002036805763
             12 vec=    15.769871      3.115268      4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00000913223005
                2s
                   +0 :               0.00012005270879
                3s
                   +0 :              -0.00000151570811
                2p
                   -1 :              -0.00003720223664
                   +0 :              -0.00008881938557
                   +1 :              -0.00002237050035
                3p
                   -1 :               0.00008541428066
                   +0 :               0.00004089269394
                   +1 :               0.00009193904060
                3d
                   -2 :               0.00000391186530
                   -1 :              -0.00000203464212
                   +0 :              -0.00000877053025
                   +1 :              -0.00000272605929
                   +2 :               0.00000985632674
             13 vec=   -15.350780     -5.868490      4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00001521350007
                2s
                   +0 :              -0.00013753452129
                3s
                   +0 :               0.00003191227555
                2p
                   -1 :               0.00002056690034
                   +0 :               0.00007335636610
                   +1 :               0.00002454764427
                3p
                   -1 :              -0.00004455460174
                   +0 :              -0.00004058292465
                   +1 :              -0.00003086412206
                3d
                   -2 :              -0.00000037988182
                   -1 :               0.00000235720052
                   +0 :              -0.00000172857250
                   +1 :               0.00000303431762
                   +2 :              -0.00000346757774
             14 vec=    15.769871     -5.868490      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00001799848837
                2s
                   +0 :               0.00022257736358
                3s
                   +0 :              -0.00001326225675
                2p
                   -1 :              -0.00013260485915
                   +0 :              -0.00005810931175
                   +1 :               0.00003687599016
                3p
                   -1 :               0.00007933472104
                   +0 :               0.00002777687720
                   +1 :               0.00003448125500
                3d
                   -2 :              -0.00000474353227
                   -1 :               0.00000148593101
                   +0 :               0.00000206868415
                   +1 :              -0.00000449013501
                   +2 :               0.00000448970335
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al(  1)  npairs=  14
              1 vec=    -2.383842      1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.01899260787370
                2p
                   -1 :              -0.00981701924997
                   +0 :              -0.01908224580493
                   +1 :               0.01754672599103
                3s
                   +0 :              -0.06001838767215
                4s
                   +0 :              -0.00629669386398
                3p
                   -1 :              -0.03406446167213
                   +0 :              -0.05157946749523
                   +1 :               0.00510849858685
                4p
                   -1 :              -0.00038823220171
                   +0 :              -0.00718471109328
                   +1 :               0.01125131619150
                3d
                   -2 :               0.01588932186169
                   -1 :              -0.02768129687023
                   +0 :              -0.01856096887453
                   +1 :               0.02736215201370
                   +2 :               0.00582954086446
              2 vec=     5.396321     -3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00014589878718
                2p
                   -1 :               0.00003253700913
                   +0 :              -0.00043876130366
                   +1 :              -0.00107149376293
                3s
                   +0 :              -0.00569928415531
                4s
                   +0 :              -0.00114483264790
                3p
                   -1 :               0.00507498829295
                   +0 :              -0.00433154128784
                   +1 :              -0.00102487354201
                4p
                   -1 :              -0.00021244054865
                   +0 :              -0.00001956379141
                   +1 :              -0.00161417925374
                3d
                   -2 :               0.00082864495485
                   -1 :              -0.00083600524229
                   +0 :               0.00095857817717
                   +1 :              -0.00073036156681
                   +2 :               0.00119192486605
              3 vec=    -2.383842     -7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00067925130557
                2p
                   -1 :              -0.00028723076428
                   +0 :               0.00044901576776
                   +1 :              -0.00031704518619
                3s
                   +0 :              -0.00716861826032
                4s
                   +0 :               0.00249005124531
                3p
                   -1 :               0.00358256776932
                   +0 :              -0.00556333364072
                   +1 :               0.00171239582524
                4p
                   -1 :              -0.00141497895575
                   +0 :               0.00117978736231
                   +1 :              -0.00108625338169
                3d
                   -2 :               0.00024301866850
                   -1 :               0.00154613468431
                   +0 :              -0.00037328237575
                   +1 :              -0.00012966401075
                   +2 :              -0.00007328572340
              4 vec=     5.396321      5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00136734191385
                2p
                   -1 :               0.00114553777417
                   +0 :              -0.00037900883613
                   +1 :               0.00036490551324
                3s
                   +0 :              -0.00186431960280
                4s
                   +0 :               0.00148662379685
                3p
                   -1 :              -0.00681903125512
                   +0 :               0.00470052371085
                   +1 :              -0.00167234551565
                4p
                   -1 :               0.00116175390798
                   +0 :              -0.00054114742140
                   +1 :               0.00125932864388
                3d
                   -2 :              -0.00173556764375
                   -1 :              -0.00040870586901
                   +0 :               0.00237140461886
                   +1 :               0.00133378999990
                   +2 :               0.00125952477346
              5 vec=   -10.164004     -3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00014153563282
                2p
                   -1 :               0.00006260150289
                   +0 :              -0.00006305012584
                   +1 :              -0.00014152686694
                3s
                   +0 :              -0.00110763665337
                4s
                   +0 :               0.00042383793935
                3p
                   -1 :               0.00010652323115
                   +0 :               0.00060515866633
                   +1 :               0.00093745310415
                4p
                   -1 :              -0.00016930302194
                   +0 :              -0.00007466961576
                   +1 :              -0.00023741803092
                3d
                   -2 :              -0.00002490197928
                   -1 :               0.00026798650847
                   +0 :               0.00012615629847
                   +1 :               0.00017345131169
                   +2 :              -0.00029968284049
              6 vec=    -2.383842     10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00011012527953
                2p
                   -1 :               0.00023088590917
                   +0 :               0.00013935080375
                   +1 :              -0.00001575435095
                3s
                   +0 :              -0.00010427077040
                4s
                   +0 :               0.00049452355944
                3p
                   -1 :              -0.00090449927769
                   +0 :              -0.00029038423040
                   +1 :               0.00011453553584
                4p
                   -1 :               0.00042985344199
                   +0 :               0.00030351214862
                   +1 :               0.00000491383553
                3d
                   -2 :               0.00010103356270
                   -1 :              -0.00018547972456
                   +0 :               0.00007483920448
                   +1 :              -0.00016776936403
                   +2 :               0.00029267343761
              7 vec=   -10.164004      5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00073026733625
                2p
                   -1 :              -0.00006436955462
                   +0 :              -0.00035828605658
                   +1 :               0.00029303128199
                3s
                   +0 :               0.00279435532144
                4s
                   +0 :              -0.00096363789630
                3p
                   -1 :               0.00030860186237
                   +0 :               0.00145484680613
                   +1 :              -0.00126359442045
                4p
                   -1 :              -0.00009561053862
                   +0 :              -0.00037357564781
                   +1 :               0.00035127369778
                3d
                   -2 :              -0.00008284369859
                   -1 :               0.00000992400613
                   +0 :              -0.00000692615011
                   +1 :               0.00006395959180
                   +2 :               0.00024798135899
              8 vec=     5.396321    -12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00007659296083
                2p
                   -1 :              -0.00010221492091
                   +0 :               0.00011529090054
                   +1 :              -0.00003984897062
                3s
                   +0 :               0.00056945232033
                4s
                   +0 :               0.00008048644230
                3p
                   -1 :               0.00006363686330
                   +0 :               0.00007712259950
                   +1 :               0.00004176788071
                4p
                   -1 :              -0.00011039854031
                   +0 :               0.00013147256410
                   +1 :              -0.00004969304541
                3d
                   -2 :               0.00000858029864
                   -1 :              -0.00016744745237
                   +0 :               0.00022661237413
                   +1 :              -0.00014967017229
                   +2 :              -0.00002086480874
              9 vec=    13.176483      1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00003260566487
                2p
                   -1 :              -0.00012030064774
                   +0 :               0.00001609125545
                   +1 :               0.00005673533466
                3s
                   +0 :               0.00168699464177
                4s
                   +0 :              -0.00028702866833
                3p
                   -1 :               0.00135235286477
                   +0 :               0.00095412803738
                   +1 :               0.00045138973628
                4p
                   -1 :              -0.00026114156983
                   +0 :              -0.00001712536032
                   +1 :              -0.00012782990247
                3d
                   -2 :               0.00028148141085
                   -1 :               0.00030636195994
                   +0 :               0.00030598131961
                   +1 :               0.00034070705600
                   +2 :              -0.00004363490111
             10 vec=    13.176483     -7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00001410818324
                2p
                   -1 :               0.00001567354309
                   +0 :               0.00000203958860
                   +1 :              -0.00001718316860
                3s
                   +0 :               0.00027772326123
                4s
                   +0 :              -0.00002369010073
                3p
                   -1 :              -0.00012455722066
                   +0 :              -0.00003654735714
                   +1 :               0.00009014400000
                4p
                   -1 :               0.00002253917102
                   +0 :               0.00002757122182
                   +1 :              -0.00003135173642
                3d
                   -2 :               0.00000452365052
                   -1 :              -0.00007508219363
                   +0 :              -0.00000060767420
                   +1 :              -0.00004128019871
                   +2 :               0.00001457545494
             11 vec=   -10.164004    -12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00008486369859
                2p
                   -1 :               0.00003001521506
                   +0 :              -0.00001807213655
                   +1 :              -0.00005876711717
                3s
                   +0 :              -0.00066636095127
                4s
                   +0 :               0.00015596308237
                3p
                   -1 :               0.00003109511733
                   +0 :              -0.00006040303205
                   +1 :               0.00027812721516
                4p
                   -1 :              -0.00001354821789
                   +0 :               0.00000533577635
                   +1 :              -0.00007979428290
                3d
                   -2 :               0.00001683361528
                   -1 :               0.00006018312566
                   +0 :              -0.00000549917855
                   +1 :              -0.00006229588262
                   +2 :              -0.00001433104707
             12 vec=     5.396321     14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00011235099528
                2p
                   -1 :              -0.00007513054204
                   +0 :              -0.00001031173963
                   +1 :              -0.00002392443815
                3s
                   +0 :               0.00006726202001
                4s
                   +0 :              -0.00008142078331
                3p
                   -1 :               0.00028154518703
                   +0 :              -0.00009894350742
                   +1 :              -0.00000401732458
                4p
                   -1 :              -0.00006576148144
                   +0 :              -0.00001245099864
                   +1 :              -0.00002415311972
                3d
                   -2 :              -0.00002349332435
                   -1 :              -0.00000040345122
                   +0 :              -0.00005236356628
                   +1 :              -0.00002520955621
                   +2 :              -0.00003147160303
             13 vec=    -2.383842    -16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00001324545861
                2p
                   -1 :              -0.00001239492199
                   +0 :               0.00001188368320
                   +1 :               0.00000555714604
                3s
                   +0 :              -0.00003908066554
                4s
                   +0 :               0.00000569534477
                3p
                   -1 :               0.00001550958562
                   +0 :              -0.00005484104943
                   +1 :              -0.00008772468049
                4p
                   -1 :               0.00000075410651
                   +0 :               0.00000109805667
                   +1 :               0.00004317646542
                3d
                   -2 :               0.00000845621506
                   -1 :               0.00000373123540
                   +0 :              -0.00001261028132
                   +1 :               0.00001286958396
                   +2 :               0.00000058231708
             14 vec=    13.176483     10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00013502162657
                2p
                   -1 :               0.00004446616415
                   +0 :               0.00002959979155
                   +1 :               0.00003879349760
                3s
                   +0 :              -0.00047369547096
                4s
                   +0 :               0.00015876745973
                3p
                   -1 :              -0.00017709460046
                   +0 :              -0.00017817584078
                   +1 :              -0.00023350619305
                4p
                   -1 :               0.00004413887768
                   +0 :               0.00005900118500
                   +1 :               0.00005500205869
                3d
                   -2 :              -0.00002417702700
                   -1 :               0.00000170033914
                   +0 :               0.00000587665126
                   +1 :              -0.00002331428276
                   +2 :              -0.00000559544031
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al(  2)  npairs=  13
              1 vec=    -2.383842      1.376312      9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00037704411382
                2p
                   -1 :              -0.00014851903252
                   +0 :               0.00007536306507
                   +1 :              -0.00020329618121
                3s
                   +0 :              -0.00059216223855
                4s
                   +0 :               0.00017192498667
                3p
                   -1 :               0.00130149897528
                   +0 :              -0.00006205343232
                   +1 :              -0.00014882156574
                4p
                   -1 :              -0.00042050235240
                   +0 :               0.00004222020821
                   +1 :              -0.00013873080052
                3d
                   -2 :               0.00021945415655
                   -1 :               0.00014947373172
                   +0 :               0.00014879288122
                   +1 :              -0.00025390371493
                   +2 :              -0.00045443536379
              2 vec=     5.396321     -3.115567      9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00033507429810
                2p
                   -1 :               0.00002500394751
                   +0 :              -0.00024386469517
                   +1 :               0.00010595468515
                3s
                   +0 :               0.00190896029811
                4s
                   +0 :              -0.00087037826014
                3p
                   -1 :              -0.00035573917722
                   +0 :               0.00203540439510
                   +1 :              -0.00052809894979
                4p
                   -1 :               0.00021812484278
                   +0 :              -0.00063326875122
                   +1 :               0.00024641325164
                3d
                   -2 :               0.00023088662252
                   -1 :              -0.00010646061923
                   +0 :               0.00057401655462
                   +1 :               0.00008687509200
                   +2 :               0.00031681973042
              3 vec=    -2.383842     -7.607446      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00002023445295
                2p
                   -1 :               0.00009351758838
                   +0 :              -0.00000788223851
                   +1 :              -0.00008710109881
                3s
                   +0 :              -0.00157864978637
                4s
                   +0 :               0.00024739465932
                3p
                   -1 :               0.00119181649277
                   +0 :              -0.00045185124528
                   +1 :               0.00034784317791
                4p
                   -1 :              -0.00008090593433
                   +0 :               0.00006903162476
                   +1 :              -0.00020626691480
                3d
                   -2 :               0.00010749048316
                   -1 :               0.00014426826531
                   +0 :               0.00024131853779
                   +1 :               0.00012617274627
                   +2 :               0.00022568993823
              4 vec=     5.396321      5.868191      9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00000983621854
                2p
                   -1 :               0.00017718483055
                   +0 :               0.00003553708030
                   +1 :              -0.00010934542844
                3s
                   +0 :              -0.00024352603044
                4s
                   +0 :              -0.00011343755492
                3p
                   -1 :              -0.00114047461142
                   +0 :              -0.00033508837681
                   +1 :               0.00029601530481
                4p
                   -1 :               0.00043605931821
                   +0 :               0.00006277650391
                   +1 :              -0.00024009933892
                3d
                   -2 :              -0.00030024957397
                   -1 :              -0.00014317646498
                   +0 :               0.00000257156389
                   +1 :              -0.00025069326475
                   +2 :              -0.00019422782269
              5 vec=   -10.164004     -3.115567      9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00027412171378
                2p
                   -1 :              -0.00004550068263
                   +0 :               0.00007811389708
                   +1 :              -0.00001874792684
                3s
                   +0 :              -0.00095139245745
                4s
                   +0 :               0.00024740122349
                3p
                   -1 :               0.00014809411430
                   +0 :              -0.00050136651682
                   +1 :               0.00005607472785
                4p
                   -1 :              -0.00001281001689
                   +0 :               0.00010911932348
                   +1 :               0.00003382707248
                3d
                   -2 :               0.00006450320591
                   -1 :               0.00006841704052
                   +0 :              -0.00004640982209
                   +1 :               0.00000521557624
                   +2 :               0.00008592495707
              6 vec=    -2.383842     10.360070      9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00005215211698
                2p
                   -1 :               0.00007378043262
                   +0 :               0.00001863501771
                   +1 :               0.00017200051529
                3s
                   +0 :              -0.00045935177898
                4s
                   +0 :               0.00024047263642
                3p
                   -1 :              -0.00056320404559
                   +0 :              -0.00027384698201
                   +1 :              -0.00101073846486
                4p
                   -1 :               0.00021954467859
                   +0 :               0.00008165034671
                   +1 :               0.00018994446559
                3d
                   -2 :              -0.00017832450898
                   -1 :              -0.00007855027031
                   +0 :              -0.00011981373318
                   +1 :              -0.00023848175407
                   +2 :               0.00014692584673
              7 vec=    -2.383842      1.376312    -14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00007583963981
                2p
                   -1 :              -0.00003063276753
                   +0 :              -0.00001337586338
                   +1 :              -0.00003840053424
                3s
                   +0 :              -0.00028031948171
                4s
                   +0 :               0.00001204056301
                3p
                   -1 :              -0.00002192454783
                   +0 :               0.00012574857210
                   +1 :               0.00047644141595
                4p
                   -1 :              -0.00003225870402
                   +0 :              -0.00000894412013
                   +1 :              -0.00002098196582
                3d
                   -2 :              -0.00006531281667
                   -1 :               0.00006661591162
                   +0 :               0.00008345860985
                   +1 :              -0.00013074861869
                   +2 :              -0.00004948729295
              8 vec=   -10.164004      5.868191      9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00021593305828
                2p
                   -1 :              -0.00000205310294
                   +0 :              -0.00013491020016
                   +1 :               0.00014423022696
                3s
                   +0 :               0.00059521272664
                4s
                   +0 :              -0.00020091385781
                3p
                   -1 :              -0.00006099511841
                   +0 :               0.00065386530853
                   +1 :              -0.00072021939448
                4p
                   -1 :               0.00008101971233
                   +0 :              -0.00012006865263
                   +1 :               0.00022711838805
                3d
                   -2 :              -0.00007502381941
                   -1 :               0.00013858956961
                   +0 :               0.00004165643177
                   +1 :              -0.00026496032365
                   +2 :               0.00011212805251
              9 vec=     5.396321     -3.115567    -14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00004171679740
                2p
                   -1 :              -0.00004604217468
                   +0 :               0.00000429719782
                   +1 :              -0.00002608482653
                3s
                   +0 :              -0.00008754020835
                4s
                   +0 :              -0.00001311068267
                3p
                   -1 :               0.00022758669031
                   +0 :              -0.00013743855344
                   +1 :               0.00007986013036
                4p
                   -1 :              -0.00004306022834
                   +0 :               0.00003248776712
                   +1 :              -0.00003743683305
                3d
                   -2 :               0.00005372722503
                   -1 :              -0.00001068275291
                   +0 :              -0.00000113128255
                   +1 :              -0.00002257988769
                   +2 :              -0.00000811483921
             10 vec=     5.396321    -12.099325      9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00010797283812
                2p
                   -1 :              -0.00007649056286
                   +0 :               0.00000355264858
                   +1 :              -0.00001220011593
                3s
                   +0 :              -0.00010986939063
                4s
                   +0 :               0.00004890092979
                3p
                   -1 :               0.00027051114554
                   +0 :               0.00012759717278
                   +1 :               0.00003756513200
                4p
                   -1 :              -0.00004461729185
                   +0 :              -0.00003091630890
                   +1 :              -0.00003073723629
                3d
                   -2 :              -0.00002041478116
                   -1 :              -0.00000770201001
                   +0 :               0.00006230333829
                   +1 :               0.00001886123637
                   +2 :               0.00007718091962
             11 vec=    13.176483      1.376312      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00006149138221
                2p
                   -1 :              -0.00000218891743
                   +0 :              -0.00002174126707
                   +1 :              -0.00001077853348
                3s
                   +0 :               0.00055987650825
                4s
                   +0 :              -0.00013532232957
                3p
                   -1 :               0.00013996741911
                   +0 :               0.00024686772862
                   +1 :               0.00022087106960
                4p
                   -1 :              -0.00000836117028
                   +0 :              -0.00006865914926
                   +1 :              -0.00005907462183
                3d
                   -2 :               0.00006967196794
                   -1 :               0.00004100211246
                   +0 :              -0.00000493904362
                   +1 :               0.00002153154115
                   +2 :              -0.00001684103641
             12 vec=    -2.383842     -7.607446    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00007779147714
                2p
                   -1 :              -0.00000425914034
                   +0 :              -0.00001923157963
                   +1 :              -0.00001081682415
                3s
                   +0 :              -0.00037861089030
                4s
                   +0 :               0.00009731501355
                3p
                   -1 :              -0.00000609727750
                   +0 :              -0.00003197352615
                   +1 :              -0.00003785961507
                4p
                   -1 :               0.00000777250752
                   +0 :              -0.00001713239547
                   +1 :               0.00001508256432
                3d
                   -2 :               0.00002091874291
                   -1 :               0.00003989851499
                   +0 :               0.00008025601414
                   +1 :               0.00002366485831
                   +2 :              -0.00006246499255
             13 vec=     5.396321      5.868191    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00001225202796
                2p
                   -1 :               0.00006110700545
                   +0 :              -0.00001225719562
                   +1 :               0.00000486472315
                3s
                   +0 :              -0.00024641663495
                4s
                   +0 :               0.00012086814143
                3p
                   -1 :              -0.00017136841701
                   +0 :               0.00005038762484
                   +1 :              -0.00010965729522
                4p
                   -1 :               0.00008083741166
                   +0 :              -0.00005629847745
                   +1 :               0.00001312275236
                3d
                   -2 :               0.00005097486551
                   -1 :               0.00001772147519
                   +0 :              -0.00000898035101
                   +1 :               0.00001721653541
                   +2 :              -0.00006324370046
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Cr(  3)  npairs=  14
              1 vec=    -2.383842      1.376312     -2.510723   |vec|=    3.725676
                3s
                   +0 :               0.04052424423267
                3p
                   -1 :               0.02909504316433
                   +0 :              -0.04929888746075
                   +1 :              -0.03677835786935
                4s
                   +0 :               0.02637735468159
                5s
                   +0 :               0.00427264045071
                3d
                   -2 :              -0.01892946548795
                   -1 :              -0.03386932866966
                   +0 :               0.02931320539677
                   +1 :               0.03195366435517
                   +2 :              -0.00612130698780
                4d
                   -2 :              -0.00139614943139
                   -1 :              -0.00336589731090
                   +0 :               0.00345265806086
                   +1 :               0.00157103164101
                   +2 :              -0.00128239764898
                4p
                   -1 :               0.00761095829840
                   +0 :              -0.02434910848838
                   +1 :              -0.00228535480169
              2 vec=     5.396321     -3.115567     -2.510723   |vec|=    6.717944
                3s
                   +0 :               0.00334952279914
                3p
                   -1 :              -0.00253091400333
                   +0 :              -0.00139891409260
                   +1 :               0.00274332767313
                4s
                   +0 :              -0.00427168562329
                5s
                   +0 :               0.00232775910662
                3d
                   -2 :              -0.00106006599712
                   -1 :              -0.00095875392914
                   +0 :              -0.00022096154247
                   +1 :              -0.00087045325330
                   +2 :              -0.00119566727107
                4d
                   -2 :               0.00099834096279
                   -1 :              -0.00220200424458
                   +0 :               0.00077910039184
                   +1 :               0.00225938468264
                   +2 :              -0.00011407748687
                4p
                   -1 :               0.00170277581036
                   +0 :               0.00097143250162
                   +1 :              -0.00048152975623
              3 vec=    -2.383842     -7.607446     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00039510756000
                3p
                   -1 :              -0.00011632714499
                   +0 :              -0.00029544956372
                   +1 :               0.00061067476110
                4s
                   +0 :               0.00234752379283
                5s
                   +0 :              -0.00001481995294
                3d
                   -2 :              -0.00050917363452
                   -1 :               0.00126847450415
                   +0 :               0.00122618974280
                   +1 :               0.00057920583612
                   +2 :               0.00001784452374
                4d
                   -2 :               0.00047537500289
                   -1 :              -0.00006593397115
                   +0 :               0.00012408439680
                   +1 :              -0.00025311154869
                   +2 :               0.00018356683995
                4p
                   -1 :              -0.00002977411740
                   +0 :              -0.00053695268662
                   +1 :              -0.00048002152001
              4 vec=     5.396321      5.868191     -2.510723   |vec|=    8.358210
                3s
                   +0 :               0.00134260841913
                3p
                   -1 :               0.00190147268960
                   +0 :              -0.00024251104915
                   +1 :               0.00142389435256
                4s
                   +0 :              -0.00159296237658
                5s
                   +0 :              -0.00095594722425
                3d
                   -2 :               0.00068865682580
                   -1 :               0.00018965039885
                   +0 :              -0.00243969977143
                   +1 :               0.00292926187843
                   +2 :              -0.00210159290010
                4d
                   -2 :               0.00102657270372
                   -1 :              -0.00136301660508
                   +0 :              -0.00048269294817
                   +1 :              -0.00011897974392
                   +2 :              -0.00033235436271
                4p
                   -1 :              -0.00001796423545
                   +0 :               0.00235303151934
                   +1 :              -0.00245336104301
              5 vec=   -10.164004     -3.115567     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00069551703531
                3p
                   -1 :               0.00007848071610
                   +0 :              -0.00016797303635
                   +1 :              -0.00062743233936
                4s
                   +0 :              -0.00016704515474
                5s
                   +0 :              -0.00019228236316
                3d
                   -2 :              -0.00000517673572
                   -1 :              -0.00004197792436
                   +0 :               0.00000156733028
                   +1 :              -0.00030731008658
                   +2 :               0.00017734510430
                4d
                   -2 :               0.00031372332583
                   -1 :               0.00028712877112
                   +0 :              -0.00009143175899
                   +1 :              -0.00003803492248
                   +2 :              -0.00002398720760
                4p
                   -1 :              -0.00055960104184
                   +0 :               0.00056299053868
                   +1 :               0.00036194673910
              6 vec=    -2.383842     10.360070     -2.510723   |vec|=   10.923254
                3s
                   +0 :              -0.00027529178540
                3p
                   -1 :              -0.00013603943674
                   +0 :               0.00019154464823
                   +1 :               0.00002084285534
                4s
                   +0 :               0.00036445504565
                5s
                   +0 :              -0.00005337452194
                3d
                   -2 :              -0.00025404487167
                   -1 :              -0.00006268488092
                   +0 :              -0.00001660050074
                   +1 :              -0.00080663165295
                   +2 :               0.00011709850319
                4d
                   -2 :               0.00025628553595
                   -1 :              -0.00006754794327
                   +0 :              -0.00019203807127
                   +1 :               0.00009585447731
                   +2 :              -0.00003341924782
                4p
                   -1 :               0.00005795556756
                   +0 :              -0.00019897928055
                   +1 :               0.00008177661035
              7 vec=   -10.164004      5.868191     -2.510723   |vec|=   12.001932
                3s
                   +0 :               0.00076215003754
                3p
                   -1 :               0.00024515268569
                   +0 :              -0.00037077949006
                   +1 :              -0.00008380872654
                4s
                   +0 :              -0.00192537108618
                5s
                   +0 :               0.00020118888179
                3d
                   -2 :               0.00017409118919
                   -1 :               0.00015685914296
                   +0 :               0.00050981674317
                   +1 :               0.00080890531534
                   +2 :              -0.00051815476555
                4d
                   -2 :               0.00052525375446
                   -1 :              -0.00030903334281
                   +0 :               0.00014947991006
                   +1 :              -0.00004768561919
                   +2 :               0.00039852684835
                4p
                   -1 :              -0.00064518275489
                   +0 :              -0.00031980175938
                   +1 :               0.00049704051742
              8 vec=     5.396321    -12.099325     -2.510723   |vec|=   13.483979
                3s
                   +0 :              -0.00001476465628
                3p
                   -1 :               0.00004328304933
                   +0 :               0.00015143126832
                   +1 :               0.00007468419839
                4s
                   +0 :              -0.00025014048111
                5s
                   +0 :              -0.00002249761210
                3d
                   -2 :              -0.00023897840473
                   -1 :              -0.00084488777558
                   +0 :              -0.00050369252556
                   +1 :              -0.00004958858674
                   +2 :               0.00025292235083
                4d
                   -2 :              -0.00005514510664
                   -1 :              -0.00005783430773
                   +0 :              -0.00007855111257
                   +1 :              -0.00008549551320
                   +2 :               0.00006365876225
                4p
                   -1 :               0.00005576156096
                   +0 :               0.00031630669055
                   +1 :               0.00010251469659
              9 vec=    13.176483      1.376312     -2.510723   |vec|=   13.483979
                3s
                   +0 :              -0.00025045791388
                3p
                   -1 :              -0.00044126001878
                   +0 :               0.00049920844995
                   +1 :              -0.00012799858706
                4s
                   +0 :              -0.00026937965569
                5s
                   +0 :               0.00000247330567
                3d
                   -2 :              -0.00058869278404
                   -1 :               0.00105564369879
                   +0 :              -0.00078672759315
                   +1 :               0.00102623060703
                   +2 :               0.00001469709235
                4d
                   -2 :               0.00014514510718
                   -1 :              -0.00002115771512
                   +0 :              -0.00002862245873
                   +1 :              -0.00004708857281
                   +2 :              -0.00014259808433
                4p
                   -1 :               0.00050784073666
                   +0 :              -0.00004276546865
                   +1 :              -0.00010074555801
             10 vec=    13.176483     -7.607446     -2.510723   |vec|=   15.420658
                3s
                   +0 :              -0.00016510479586
                3p
                   -1 :               0.00004642472674
                   +0 :              -0.00001178153360
                   +1 :              -0.00011433421158
                4s
                   +0 :               0.00010531858654
                5s
                   +0 :               0.00003006992681
                3d
                   -2 :               0.00003144326151
                   -1 :              -0.00001684052731
                   +0 :              -0.00001176543017
                   +1 :              -0.00015165569109
                   +2 :              -0.00002144242198
                4d
                   -2 :              -0.00000591431052
                   -1 :               0.00005238654088
                   +0 :              -0.00006509004957
                   +1 :               0.00007539956719
                   +2 :               0.00008725827202
                4p
                   -1 :              -0.00003543898066
                   +0 :               0.00004265846301
                   +1 :               0.00017650228610
             11 vec=   -10.164004    -12.099325     -2.510723   |vec|=   16.000137
                3s
                   +0 :               0.00003533449731
                3p
                   -1 :              -0.00000383991870
                   +0 :              -0.00004231478702
                   +1 :              -0.00002471773223
                4s
                   +0 :               0.00017229349358
                5s
                   +0 :              -0.00000911157151
                3d
                   -2 :              -0.00002910276576
                   -1 :               0.00024441735540
                   +0 :               0.00010432667692
                   +1 :              -0.00011098229861
                   +2 :              -0.00001069542774
                4d
                   -2 :               0.00000029772444
                   -1 :              -0.00004683060898
                   +0 :               0.00001459383245
                   +1 :              -0.00002917719656
                   +2 :              -0.00000457888110
                4p
                   -1 :               0.00000906973219
                   +0 :               0.00009219616887
                   +1 :              -0.00002665770092
             12 vec=     5.396321     14.851949     -2.510723   |vec|=   16.000137
                3s
                   +0 :               0.00010507083677
                3p
                   -1 :               0.00007711148721
                   +0 :               0.00003384561264
                   +1 :               0.00002446566791
                4s
                   +0 :              -0.00006614300188
                5s
                   +0 :               0.00003885227024
                3d
                   -2 :              -0.00003912720979
                   -1 :              -0.00002244977765
                   +0 :               0.00010031701208
                   +1 :              -0.00019792221457
                   +2 :              -0.00001030033442
                4d
                   -2 :              -0.00001921201968
                   -1 :              -0.00003527171926
                   +0 :               0.00000709213643
                   +1 :              -0.00009074236271
                   +2 :               0.00008862697903
                4p
                   -1 :              -0.00011104637534
                   +0 :              -0.00012123178314
                   +1 :              -0.00005252448593
             13 vec=    -2.383842    -16.591204     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00003983866147
                3p
                   -1 :              -0.00001799840257
                   +0 :               0.00000551699230
                   +1 :              -0.00000427657901
                4s
                   +0 :              -0.00003285357467
                5s
                   +0 :               0.00000725013537
                3d
                   -2 :              -0.00001066983954
                   -1 :              -0.00004589132535
                   +0 :              -0.00000705955314
                   +1 :               0.00007201789417
                   +2 :               0.00004868431582
                4d
                   -2 :              -0.00001270019734
                   -1 :              -0.00001335901114
                   +0 :               0.00001923582215
                   +1 :               0.00001448202698
                   +2 :               0.00002519734425
                4p
                   -1 :               0.00004154360093
                   +0 :               0.00001053058365
                   +1 :               0.00001143383626
             14 vec=    13.176483     10.360070     -2.510723   |vec|=   16.948584
                3s
                   +0 :              -0.00004318563158
                3p
                   -1 :               0.00000642855539
                   +0 :               0.00000562779500
                   +1 :              -0.00002809393284
                4s
                   +0 :               0.00004219295264
                5s
                   +0 :               0.00003561194392
                3d
                   -2 :               0.00002813480038
                   -1 :               0.00001736321726
                   +0 :              -0.00007559500526
                   +1 :               0.00012504591731
                   +2 :               0.00004115734042
                4d
                   -2 :              -0.00006820323564
                   -1 :              -0.00002050514265
                   +0 :              -0.00002544059703
                   +1 :               0.00006422606098
                   +2 :               0.00002377473307
                4p
                   -1 :              -0.00003390700384
                   +0 :               0.00006015385342
                   +1 :               0.00009333594953
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al(  4)  npairs=  13
              1 vec=    -2.383842      1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00001084650927
                2p
                   -1 :               0.00007258600995
                   +0 :               0.00000544851832
                   +1 :              -0.00001644935900
                3s
                   +0 :               0.00123982559096
                4s
                   +0 :              -0.00059026533519
                3p
                   -1 :               0.00006589395206
                   +0 :              -0.00199458109527
                   +1 :              -0.00105575668612
                4p
                   -1 :               0.00024175945943
                   +0 :               0.00086521885835
                   +1 :               0.00017054259941
                3d
                   -2 :               0.00051110902529
                   -1 :              -0.00042702750274
                   +0 :               0.00065142988260
                   +1 :               0.00034820747519
                   +2 :               0.00002756354532
              2 vec=     5.396321     -3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00041284868212
                2p
                   -1 :               0.00038834734309
                   +0 :               0.00018842092433
                   +1 :              -0.00011913756300
                3s
                   +0 :               0.00125191256379
                4s
                   +0 :              -0.00060917970497
                3p
                   -1 :              -0.00169756974958
                   +0 :              -0.00126728176846
                   +1 :               0.00080118525431
                4p
                   -1 :               0.00022030159218
                   +0 :               0.00052106159194
                   +1 :              -0.00030179060684
                3d
                   -2 :              -0.00010487376243
                   -1 :               0.00032240025414
                   +0 :               0.00021367101558
                   +1 :              -0.00009306431343
                   +2 :              -0.00013045230625
              3 vec=    -2.383842     -7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00028213721051
                2p
                   -1 :              -0.00006581816748
                   +0 :              -0.00001853192551
                   +1 :              -0.00008723888845
                3s
                   +0 :              -0.00318965921001
                4s
                   +0 :               0.00016121673498
                3p
                   -1 :               0.00197384491587
                   +0 :               0.00024494344791
                   +1 :               0.00077004281135
                4p
                   -1 :              -0.00002013615145
                   +0 :              -0.00004661717582
                   +1 :              -0.00013765455255
                3d
                   -2 :              -0.00021171469615
                   -1 :              -0.00015196379546
                   +0 :               0.00038378444733
                   +1 :              -0.00011844109281
                   +2 :               0.00063445937533
              4 vec=     5.396321      5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00036199193140
                2p
                   -1 :               0.00017937953187
                   +0 :              -0.00013857349063
                   +1 :               0.00032474270934
                3s
                   +0 :              -0.00258884589340
                4s
                   +0 :               0.00048388923236
                3p
                   -1 :              -0.00121932470758
                   +0 :               0.00093896329061
                   +1 :              -0.00207914314728
                4p
                   -1 :               0.00030858793363
                   +0 :              -0.00050314459705
                   +1 :               0.00016830229854
                3d
                   -2 :              -0.00015761893226
                   -1 :               0.00008089177971
                   +0 :               0.00017242376019
                   +1 :               0.00008358908041
                   +2 :              -0.00003609565456
              5 vec=   -10.164004     -3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00003385147393
                2p
                   -1 :              -0.00007682891191
                   +0 :              -0.00002604571202
                   +1 :              -0.00010119876222
                3s
                   +0 :              -0.00021520924056
                4s
                   +0 :               0.00020711478772
                3p
                   -1 :               0.00027983397314
                   +0 :               0.00015326891217
                   +1 :               0.00067095394615
                4p
                   -1 :              -0.00017081455282
                   +0 :              -0.00010048342298
                   +1 :              -0.00018710690617
                3d
                   -2 :              -0.00013815699719
                   -1 :              -0.00007955931735
                   +0 :              -0.00002794105968
                   +1 :              -0.00002132849809
                   +2 :              -0.00000765095859
              6 vec=    -2.383842     10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00010195423656
                2p
                   -1 :              -0.00004355989150
                   +0 :              -0.00001617532036
                   +1 :               0.00006515756967
                3s
                   +0 :              -0.00006910102515
                4s
                   +0 :               0.00012548053241
                3p
                   -1 :               0.00037564552396
                   +0 :              -0.00001310307940
                   +1 :              -0.00007717942239
                4p
                   -1 :              -0.00004269411049
                   +0 :               0.00004626594261
                   +1 :              -0.00000993972500
                3d
                   -2 :              -0.00009395604119
                   -1 :              -0.00011438925473
                   +0 :              -0.00005846488244
                   +1 :               0.00005247069971
                   +2 :              -0.00019021702173
              7 vec=    -2.383842      1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00003293073130
                2p
                   -1 :               0.00003400421638
                   +0 :              -0.00000636370351
                   +1 :              -0.00001013766109
                3s
                   +0 :              -0.00007284426954
                4s
                   +0 :               0.00003409184931
                3p
                   -1 :              -0.00011669269097
                   +0 :              -0.00009215570289
                   +1 :               0.00007844548718
                4p
                   -1 :              -0.00001020044229
                   +0 :               0.00002765406940
                   +1 :              -0.00000770247923
                3d
                   -2 :               0.00008082033659
                   -1 :              -0.00000537162714
                   +0 :              -0.00004873279321
                   +1 :               0.00005360004100
                   +2 :               0.00008879443039
              8 vec=   -10.164004      5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00048785635598
                2p
                   -1 :              -0.00026268249142
                   +0 :               0.00008335900302
                   +1 :               0.00011623149893
                3s
                   +0 :               0.00268037490173
                4s
                   +0 :              -0.00035209714272
                3p
                   -1 :               0.00149106463125
                   +0 :               0.00002967997968
                   +1 :              -0.00077551841421
                4p
                   -1 :              -0.00028250219598
                   +0 :               0.00011153955906
                   +1 :               0.00000954244517
                3d
                   -2 :              -0.00040153944700
                   -1 :               0.00001820041757
                   +0 :              -0.00027068154308
                   +1 :              -0.00022108342425
                   +2 :               0.00000674010144
              9 vec=     5.396321     -3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00012347417326
                2p
                   -1 :               0.00000096919724
                   +0 :              -0.00002388145011
                   +1 :              -0.00001212718251
                3s
                   +0 :               0.00054538511752
                4s
                   +0 :              -0.00013865989434
                3p
                   -1 :               0.00010914308629
                   +0 :               0.00012573142489
                   +1 :              -0.00010378492414
                4p
                   -1 :               0.00000023768027
                   +0 :              -0.00001307804662
                   +1 :               0.00000490775545
                3d
                   -2 :              -0.00003874912890
                   -1 :               0.00002428491805
                   +0 :              -0.00002683741979
                   +1 :              -0.00005829178329
                   +2 :              -0.00000798186333
             10 vec=     5.396321    -12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00004671461637
                2p
                   -1 :              -0.00001483712072
                   +0 :              -0.00001135245780
                   +1 :               0.00000639061126
                3s
                   +0 :              -0.00022106639366
                4s
                   +0 :               0.00007297657153
                3p
                   -1 :               0.00001043013863
                   +0 :               0.00001284347734
                   +1 :              -0.00013773811262
                4p
                   -1 :              -0.00001762714198
                   +0 :              -0.00003732422492
                   +1 :               0.00002587823016
                3d
                   -2 :               0.00002623680378
                   -1 :              -0.00000102537885
                   +0 :              -0.00000830981304
                   +1 :              -0.00000104934172
                   +2 :              -0.00001241671433
             11 vec=    13.176483      1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00021401507102
                2p
                   -1 :               0.00005493507233
                   +0 :              -0.00002768104992
                   +1 :               0.00018874488630
                3s
                   +0 :              -0.00058995310841
                4s
                   +0 :               0.00013293173298
                3p
                   -1 :              -0.00013606186955
                   +0 :               0.00005815944890
                   +1 :              -0.00078597949004
                4p
                   -1 :              -0.00000348691230
                   +0 :               0.00000556091320
                   +1 :               0.00014398266515
                3d
                   -2 :              -0.00002754826100
                   -1 :               0.00005334218305
                   +0 :               0.00002168313007
                   +1 :               0.00008960609958
                   +2 :              -0.00009160147387
             12 vec=    -2.383842     -7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00000460040899
                2p
                   -1 :              -0.00004641394157
                   +0 :               0.00001072458543
                   +1 :              -0.00000231513419
                3s
                   +0 :               0.00020406576349
                4s
                   +0 :              -0.00001737052398
                3p
                   -1 :               0.00012947808947
                   +0 :               0.00013369447530
                   +1 :              -0.00026650348969
                4p
                   -1 :              -0.00004176700863
                   +0 :               0.00000638211940
                   +1 :               0.00001808902713
                3d
                   -2 :               0.00005686820914
                   -1 :              -0.00002590959084
                   +0 :               0.00004197390873
                   +1 :              -0.00006773201452
                   +2 :              -0.00001650804313
             13 vec=     5.396321      5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00014836811820
                2p
                   -1 :              -0.00000899359197
                   +0 :              -0.00003477428079
                   +1 :              -0.00002587355448
                3s
                   +0 :               0.00064347079089
                4s
                   +0 :              -0.00012827993730
                3p
                   -1 :               0.00033083979619
                   +0 :               0.00025995966719
                   +1 :               0.00008975880655
                4p
                   -1 :              -0.00004319385834
                   +0 :              -0.00002100936677
                   +1 :              -0.00005095015184
                3d
                   -2 :               0.00006932675580
                   -1 :               0.00007511740846
                   +0 :              -0.00002114258291
                   +1 :               0.00003165290270
                   +2 :              -0.00010240894445
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al(  5)  npairs=  15
              1 vec=     2.802933      1.376312     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00053025136446
                2p
                   -1 :               0.00013197586222
                   +0 :               0.00020994615584
                   +1 :               0.00011541729762
                3s
                   +0 :              -0.00128171571607
                4s
                   +0 :               0.00029237066642
                3p
                   -1 :              -0.00083819427595
                   +0 :              -0.00105621216849
                   +1 :              -0.00166726397084
                4p
                   -1 :               0.00015719558810
                   +0 :               0.00029988581030
                   +1 :               0.00023259107154
                3d
                   -2 :              -0.00001141658054
                   -1 :              -0.00031659794554
                   +0 :               0.00019810253931
                   +1 :              -0.00034073628280
                   +2 :               0.00013089449522
              2 vec=    -4.977229     -3.115567     10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00023040826606
                2p
                   -1 :               0.00009604858023
                   +0 :              -0.00010977861461
                   +1 :               0.00012413718795
                3s
                   +0 :              -0.00011137716140
                4s
                   +0 :               0.00008261932452
                3p
                   -1 :              -0.00055250128391
                   +0 :               0.00021810220526
                   +1 :              -0.00038956809230
                4p
                   -1 :              -0.00004335160510
                   +0 :               0.00003941240099
                   +1 :               0.00012689531710
                3d
                   -2 :               0.00023233051994
                   -1 :              -0.00022522055340
                   +0 :               0.00015962291917
                   +1 :              -0.00007440557048
                   +2 :               0.00000909089728
              3 vec=    -4.977229      5.868191     10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00038576412926
                2p
                   -1 :               0.00026900321238
                   +0 :               0.00017502934096
                   +1 :              -0.00004140865725
                3s
                   +0 :              -0.00083551399923
                4s
                   +0 :               0.00026677278273
                3p
                   -1 :              -0.00104755234905
                   +0 :              -0.00043674180764
                   +1 :              -0.00052874435079
                4p
                   -1 :               0.00028815298652
                   +0 :               0.00013555471082
                   +1 :               0.00018724488959
                3d
                   -2 :               0.00001521597092
                   -1 :              -0.00017940849852
                   +0 :              -0.00006146120849
                   +1 :              -0.00010775201948
                   +2 :               0.00022079306607
              4 vec=     2.802933     -7.607446     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00012250559729
                2p
                   -1 :              -0.00007129801979
                   +0 :               0.00009366438088
                   +1 :              -0.00015057210067
                3s
                   +0 :               0.00269697452897
                4s
                   +0 :              -0.00037259171229
                3p
                   -1 :              -0.00126483495432
                   +0 :               0.00094806588757
                   +1 :               0.00097058838304
                4p
                   -1 :               0.00008040535498
                   +0 :               0.00002036327875
                   +1 :              -0.00030464019017
                3d
                   -2 :              -0.00018011499223
                   -1 :              -0.00039831311968
                   +0 :              -0.00000303825650
                   +1 :               0.00012356881943
                   +2 :              -0.00038573879210
              5 vec=     2.802933      1.376312    -13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00022247438161
                2p
                   -1 :               0.00005650046894
                   +0 :              -0.00002274746417
                   +1 :               0.00009755333474
                3s
                   +0 :              -0.00072489297649
                4s
                   +0 :               0.00017567594775
                3p
                   -1 :              -0.00030277533450
                   +0 :               0.00010940557638
                   +1 :              -0.00031897700359
                4p
                   -1 :               0.00008468562442
                   +0 :              -0.00003688826783
                   +1 :               0.00004659587802
                3d
                   -2 :               0.00008147901484
                   -1 :              -0.00002148066132
                   +0 :               0.00005272402902
                   +1 :              -0.00000502190951
                   +2 :              -0.00004764529597
              6 vec=    -4.977229     -3.115567    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00006877642668
                2p
                   -1 :              -0.00000336028192
                   +0 :              -0.00006487791699
                   +1 :              -0.00000285069493
                3s
                   +0 :              -0.00044089448794
                4s
                   +0 :               0.00016237626055
                3p
                   -1 :              -0.00012108450204
                   +0 :               0.00049382220731
                   +1 :               0.00000275299425
                4p
                   -1 :              -0.00001488369321
                   +0 :              -0.00016554005445
                   +1 :              -0.00001762398339
                3d
                   -2 :              -0.00000423029255
                   -1 :              -0.00003523846562
                   +0 :              -0.00005778780695
                   +1 :              -0.00007430329986
                   +2 :               0.00003443832461
              7 vec=     2.802933     10.360070     10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00016896429732
                2p
                   -1 :               0.00008709744511
                   +0 :               0.00007747697037
                   +1 :               0.00000424702367
                3s
                   +0 :              -0.00117320668155
                4s
                   +0 :               0.00035237517024
                3p
                   -1 :              -0.00071984458343
                   +0 :              -0.00066878797715
                   +1 :              -0.00014731472298
                4p
                   -1 :               0.00020783731895
                   +0 :               0.00014471174344
                   +1 :              -0.00001094265099
                3d
                   -2 :              -0.00007517765097
                   -1 :              -0.00016214247005
                   +0 :              -0.00009960737600
                   +1 :              -0.00003945722191
                   +2 :               0.00010210450765
              8 vec=    10.583096     -3.115567     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00006001900883
                2p
                   -1 :              -0.00002105519847
                   +0 :               0.00004325081667
                   +1 :               0.00001453141634
                3s
                   +0 :               0.00045732080321
                4s
                   +0 :               0.00001604703748
                3p
                   -1 :               0.00027542896627
                   +0 :              -0.00018985711594
                   +1 :              -0.00007212849511
                4p
                   -1 :              -0.00007574321788
                   +0 :               0.00009936496880
                   +1 :               0.00008165203322
                3d
                   -2 :               0.00010417621697
                   -1 :               0.00003952289968
                   +0 :               0.00001322698992
                   +1 :              -0.00003578091424
                   +2 :              -0.00003691431621
              9 vec=    -4.977229      5.868191    -13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00011068372714
                2p
                   -1 :              -0.00007773228489
                   +0 :               0.00009294715979
                   +1 :              -0.00006679863715
                3s
                   +0 :               0.00060973486733
                4s
                   +0 :              -0.00020523691370
                3p
                   -1 :               0.00017319718280
                   +0 :              -0.00059565103558
                   +1 :               0.00052818217159
                4p
                   -1 :              -0.00006086495476
                   +0 :               0.00017935916450
                   +1 :              -0.00017993893438
                3d
                   -2 :               0.00000905993446
                   -1 :              -0.00003148460988
                   +0 :               0.00011054638676
                   +1 :              -0.00002256834632
                   +2 :               0.00011095494481
             10 vec=     2.802933     -7.607446    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00008310178160
                2p
                   -1 :               0.00005247305052
                   +0 :               0.00002000357619
                   +1 :              -0.00000480656623
                3s
                   +0 :              -0.00052761787420
                4s
                   +0 :              -0.00004630558453
                3p
                   -1 :               0.00000323652260
                   +0 :               0.00005114583045
                   +1 :              -0.00045208075396
                4p
                   -1 :               0.00000943718706
                   +0 :              -0.00002650081147
                   +1 :               0.00001611919146
                3d
                   -2 :               0.00005185208176
                   -1 :               0.00002136260406
                   +0 :               0.00007021811116
                   +1 :               0.00001201968738
                   +2 :              -0.00004585447843
             11 vec=    10.583096      5.868191     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00028347337964
                2p
                   -1 :               0.00004092821522
                   +0 :               0.00010465477915
                   +1 :               0.00014447828997
                3s
                   +0 :              -0.00079499404687
                4s
                   +0 :               0.00028198492758
                3p
                   -1 :              -0.00014022146407
                   +0 :              -0.00043482061227
                   +1 :              -0.00060684040218
                4p
                   -1 :               0.00001880203997
                   +0 :               0.00013045828042
                   +1 :               0.00012405502370
                3d
                   -2 :               0.00000587480369
                   -1 :              -0.00004304434551
                   +0 :              -0.00002371047940
                   +1 :              -0.00010443482919
                   +2 :              -0.00006247919213
             12 vec=   -12.757392      1.376312     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00003625778766
                2p
                   -1 :              -0.00000898571610
                   +0 :              -0.00003699424318
                   +1 :               0.00001413806034
                3s
                   +0 :              -0.00048364913537
                4s
                   +0 :              -0.00002928438409
                3p
                   -1 :              -0.00007332036565
                   +0 :               0.00003275000815
                   +1 :               0.00006269683082
                4p
                   -1 :              -0.00000472059884
                   +0 :              -0.00007698272304
                   +1 :               0.00003976105837
                3d
                   -2 :               0.00009336743175
                   -1 :              -0.00002220778307
                   +0 :               0.00002939576179
                   +1 :               0.00001716989120
                   +2 :              -0.00001082558933
             13 vec=    -4.977229    -12.099325     10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00010492028145
                2p
                   -1 :              -0.00005154958108
                   +0 :               0.00004090060695
                   +1 :              -0.00001876245645
                3s
                   +0 :              -0.00041399814793
                4s
                   +0 :               0.00009499192406
                3p
                   -1 :               0.00027415660275
                   +0 :              -0.00026709174769
                   +1 :               0.00011145190239
                4p
                   -1 :              -0.00005504130887
                   +0 :               0.00004581284256
                   +1 :              -0.00005344617933
                3d
                   -2 :              -0.00005125365765
                   -1 :               0.00006793077317
                   +0 :              -0.00002141572789
                   +1 :               0.00000321970614
                   +2 :               0.00002181111053
             14 vec=     2.802933     10.360070    -13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00007293179997
                2p
                   -1 :              -0.00005404811550
                   +0 :               0.00000943037752
                   +1 :               0.00001952853713
                3s
                   +0 :              -0.00031911120146
                4s
                   +0 :              -0.00002614751202
                3p
                   -1 :              -0.00013018659476
                   +0 :               0.00005785010114
                   +1 :              -0.00003536241571
                4p
                   -1 :              -0.00003598607784
                   +0 :              -0.00003578800226
                   +1 :               0.00003666301431
                3d
                   -2 :              -0.00002711228941
                   -1 :              -0.00001616957164
                   +0 :               0.00002733369761
                   +1 :               0.00001494927295
                   +2 :               0.00004027676697
             15 vec=    10.583096     -3.115567    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00010386966651
                2p
                   -1 :              -0.00000969661418
                   +0 :              -0.00003368644618
                   +1 :               0.00006526534910
                3s
                   +0 :              -0.00027461947892
                4s
                   +0 :               0.00006555011579
                3p
                   -1 :               0.00001074903041
                   +0 :               0.00015099666163
                   +1 :              -0.00023398290202
                4p
                   -1 :               0.00000926804612
                   +0 :              -0.00003157572121
                   +1 :               0.00005294393282
                3d
                   -2 :               0.00001246003472
                   -1 :              -0.00001702854921
                   +0 :              -0.00001172805807
                   +1 :               0.00002603612731
                   +2 :              -0.00002847896038
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al(  6)  npairs=  13
              1 vec=     2.802933      1.376312     -6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00131610415411
                2p
                   -1 :              -0.00052940264275
                   +0 :               0.00113137725503
                   +1 :              -0.00032370247623
                3s
                   +0 :               0.00102617882548
                4s
                   +0 :              -0.00213937825494
                3p
                   -1 :               0.00745076409260
                   +0 :               0.00011222928147
                   +1 :              -0.00096743510962
                4p
                   -1 :              -0.00081392904186
                   +0 :               0.00104716201629
                   +1 :              -0.00038785851159
                3d
                   -2 :               0.00046358545193
                   -1 :              -0.00101562108997
                   +0 :              -0.00108159019400
                   +1 :               0.00133352930797
                   +2 :              -0.00068070186589
              2 vec=    -4.977229     -3.115567     -6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00036166822909
                2p
                   -1 :               0.00043734539343
                   +0 :               0.00019963491244
                   +1 :               0.00024592061480
                3s
                   +0 :              -0.00946900288741
                4s
                   +0 :              -0.00060660019354
                3p
                   -1 :              -0.00156415324559
                   +0 :               0.00366137723545
                   +1 :               0.00333984055293
                4p
                   -1 :               0.00132499621503
                   +0 :               0.00059740010525
                   +1 :               0.00066924396168
                3d
                   -2 :              -0.00012980876863
                   -1 :               0.00021410149759
                   +0 :              -0.00014700821804
                   +1 :              -0.00174478973274
                   +2 :              -0.00168680979029
              3 vec=    -4.977229      5.868191     -6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00193399065404
                2p
                   -1 :               0.00107492029602
                   +0 :              -0.00042075068599
                   +1 :              -0.00051572495297
                3s
                   +0 :              -0.00709241668287
                4s
                   +0 :               0.00286384438161
                3p
                   -1 :              -0.00663551811943
                   +0 :               0.00264335381071
                   +1 :               0.00525549282001
                4p
                   -1 :               0.00140279328793
                   +0 :              -0.00090187728892
                   +1 :              -0.00066457856422
                3d
                   -2 :               0.00144910303969
                   -1 :               0.00066268458227
                   +0 :               0.00080270876637
                   +1 :              -0.00159879524852
                   +2 :               0.00127164629494
              4 vec=     2.802933     -7.607446     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00019707373772
                2p
                   -1 :              -0.00011742926749
                   +0 :               0.00003977309563
                   +1 :              -0.00009047937011
                3s
                   +0 :              -0.00051289116013
                4s
                   +0 :               0.00006691444141
                3p
                   -1 :               0.00023277716812
                   +0 :               0.00042073979708
                   +1 :              -0.00017922201954
                4p
                   -1 :              -0.00014698781893
                   +0 :               0.00004216145652
                   +1 :              -0.00009648236552
                3d
                   -2 :               0.00011980858890
                   -1 :              -0.00012098197234
                   +0 :               0.00020586083199
                   +1 :               0.00035437628586
                   +2 :              -0.00001924350375
              5 vec=     2.802933     10.360070     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00010212049295
                2p
                   -1 :               0.00003282865314
                   +0 :               0.00004689234745
                   +1 :               0.00009529612220
                3s
                   +0 :               0.00001369029971
                4s
                   +0 :              -0.00017375874592
                3p
                   -1 :               0.00023506006988
                   +0 :              -0.00032138884567
                   +1 :              -0.00044856218525
                4p
                   -1 :              -0.00004349004486
                   +0 :               0.00012768206978
                   +1 :               0.00017248260355
                3d
                   -2 :               0.00010523160194
                   -1 :              -0.00006681493670
                   +0 :              -0.00011433340739
                   +1 :              -0.00007833082220
                   +2 :              -0.00017749411052
              6 vec=    10.583096     -3.115567     -6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00111468075363
                2p
                   -1 :               0.00004450283758
                   +0 :               0.00035517698008
                   +1 :              -0.00036134604786
                3s
                   +0 :               0.00489311848596
                4s
                   +0 :              -0.00148013354658
                3p
                   -1 :              -0.00035571108404
                   +0 :              -0.00268935421588
                   +1 :               0.00227881233332
                4p
                   -1 :              -0.00011581974875
                   +0 :               0.00070598043259
                   +1 :              -0.00049361577744
                3d
                   -2 :              -0.00008118014252
                   -1 :               0.00019824568157
                   +0 :               0.00022461819079
                   +1 :              -0.00058881087958
                   +2 :               0.00028447572214
              7 vec=    10.583096      5.868191     -6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00065849225676
                2p
                   -1 :               0.00013901307517
                   +0 :               0.00020905340216
                   +1 :              -0.00036946111517
                3s
                   +0 :               0.00313175354660
                4s
                   +0 :              -0.00108970101608
                3p
                   -1 :              -0.00031120245357
                   +0 :              -0.00150352419448
                   +1 :               0.00248920481894
                4p
                   -1 :              -0.00007043659976
                   +0 :               0.00039006938453
                   +1 :              -0.00064313576184
                3d
                   -2 :               0.00002716507696
                   -1 :              -0.00000173363454
                   +0 :               0.00010942283452
                   +1 :              -0.00031104049824
                   +2 :               0.00010860349742
              8 vec=   -12.757392      1.376312     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00018666171030
                2p
                   -1 :              -0.00002483527201
                   +0 :               0.00000670751188
                   +1 :               0.00000503119717
                3s
                   +0 :               0.00144320420452
                4s
                   +0 :              -0.00016714775964
                3p
                   -1 :              -0.00014037350479
                   +0 :              -0.00048988373359
                   +1 :              -0.00007368249343
                4p
                   -1 :              -0.00006623311778
                   +0 :              -0.00003283969860
                   +1 :              -0.00002174706880
                3d
                   -2 :               0.00001624761794
                   -1 :               0.00016474756325
                   +0 :               0.00034482065272
                   +1 :               0.00012951071388
                   +2 :              -0.00010431575676
              9 vec=    -4.977229    -12.099325     -6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00004296033691
                2p
                   -1 :               0.00000150032372
                   +0 :               0.00002769422400
                   +1 :               0.00003397321519
                3s
                   +0 :              -0.00046838722648
                4s
                   +0 :               0.00008333231913
                3p
                   -1 :               0.00012849560370
                   +0 :              -0.00012263612468
                   +1 :              -0.00021978499472
                4p
                   -1 :               0.00001559028521
                   +0 :               0.00003273249724
                   +1 :               0.00000584580384
                3d
                   -2 :              -0.00001955498041
                   -1 :              -0.00003606965758
                   +0 :               0.00005055359339
                   +1 :               0.00006405939036
                   +2 :              -0.00003985990234
             10 vec=   -12.757392     -7.607446     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00020496830936
                2p
                   -1 :              -0.00006371591376
                   +0 :              -0.00007490044605
                   +1 :              -0.00004566658875
                3s
                   +0 :              -0.00097392204208
                4s
                   +0 :               0.00020603455488
                3p
                   -1 :               0.00035658224152
                   +0 :               0.00049598699728
                   +1 :               0.00032448013469
                4p
                   -1 :              -0.00008746922809
                   +0 :              -0.00008554404805
                   +1 :              -0.00002598777320
                3d
                   -2 :              -0.00005378571623
                   -1 :              -0.00009671980488
                   +0 :              -0.00004514448275
                   +1 :              -0.00008455947619
                   +2 :               0.00002429050944
             11 vec=    -4.977229     14.851949     -6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00000083593014
                2p
                   -1 :              -0.00000757767501
                   +0 :              -0.00001607633213
                   +1 :              -0.00000427234602
                3s
                   +0 :               0.00010314456731
                4s
                   +0 :               0.00001219130625
                3p
                   -1 :               0.00008500780949
                   +0 :               0.00009217961727
                   +1 :              -0.00001200472257
                4p
                   -1 :              -0.00002538992852
                   +0 :              -0.00005622153179
                   +1 :              -0.00002229186252
                3d
                   -2 :              -0.00000179982666
                   -1 :              -0.00000445971590
                   +0 :               0.00000021013945
                   +1 :               0.00005489483315
                   +2 :              -0.00002423937905
             12 vec=    10.583096    -12.099325     -6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00001344691568
                2p
                   -1 :              -0.00000233398726
                   +0 :              -0.00001636554522
                   +1 :               0.00001466318570
                3s
                   +0 :               0.00005220110995
                4s
                   +0 :               0.00003168079329
                3p
                   -1 :              -0.00003184468662
                   +0 :               0.00006712985326
                   +1 :              -0.00007781287732
                4p
                   -1 :              -0.00001387130353
                   +0 :              -0.00003534887668
                   +1 :               0.00003437273791
                3d
                   -2 :              -0.00002175744174
                   -1 :               0.00000495261858
                   +0 :              -0.00002596962356
                   +1 :              -0.00000023301412
                   +2 :              -0.00001225553621
             13 vec=   -12.757392     10.360070     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00001805623019
                2p
                   -1 :               0.00001963336047
                   +0 :              -0.00003304518862
                   +1 :               0.00002619643936
                3s
                   +0 :               0.00018542865999
                4s
                   +0 :              -0.00001870714632
                3p
                   -1 :              -0.00015998503886
                   +0 :               0.00021920167779
                   +1 :              -0.00018383338678
                4p
                   -1 :              -0.00000737464942
                   +0 :              -0.00006097866981
                   +1 :               0.00002223436174
                3d
                   -2 :              -0.00001761900217
                   -1 :               0.00001243122579
                   +0 :               0.00001779594333
                   +1 :               0.00003055898661
                   +2 :               0.00004850605420
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al(  7)  npairs=  14
              1 vec=     2.802933      1.376312      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00223902701646
                2p
                   -1 :              -0.00038349413535
                   +0 :              -0.00166328307133
                   +1 :              -0.00078603696345
                3s
                   +0 :               0.00664990403181
                4s
                   +0 :              -0.00383998232339
                3p
                   -1 :               0.00386275961191
                   +0 :               0.01192028922204
                   +1 :               0.00175822791670
                4p
                   -1 :              -0.00067820842898
                   +0 :              -0.00490152562236
                   +1 :              -0.00041819190525
                3d
                   -2 :               0.00068576003723
                   -1 :              -0.00034859969852
                   +0 :               0.00358503107918
                   +1 :               0.00188472748624
                   +2 :               0.00135308378221
              2 vec=    -4.977229     -3.115567      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00018447141733
                2p
                   -1 :               0.00020345519006
                   +0 :               0.00088268183556
                   +1 :              -0.00013673096611
                3s
                   +0 :              -0.00381410536869
                4s
                   +0 :              -0.00021749859260
                3p
                   -1 :              -0.00157549038353
                   +0 :              -0.00314760783324
                   +1 :               0.00241829425790
                4p
                   -1 :               0.00085261543440
                   +0 :               0.00119942829534
                   +1 :               0.00012123653431
                3d
                   -2 :              -0.00050623557145
                   -1 :              -0.00055211158416
                   +0 :               0.00107952099015
                   +1 :               0.00020332995635
                   +2 :              -0.00166656500540
              3 vec=    -4.977229      5.868191      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00024556546017
                2p
                   -1 :               0.00047858833033
                   +0 :               0.00007224826183
                   +1 :              -0.00086173572213
                3s
                   +0 :              -0.00369509860043
                4s
                   +0 :               0.00115855498861
                3p
                   -1 :              -0.00242499874776
                   +0 :              -0.00127441446974
                   +1 :               0.00615342604557
                4p
                   -1 :               0.00061038326209
                   +0 :               0.00030218432196
                   +1 :              -0.00189520314545
                3d
                   -2 :               0.00070124173176
                   -1 :              -0.00045085488146
                   +0 :              -0.00017036804109
                   +1 :               0.00092933790005
                   +2 :               0.00020630663879
              4 vec=     2.802933     -7.607446      5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00106257045328
                2p
                   -1 :              -0.00050779215425
                   +0 :               0.00034238303598
                   +1 :               0.00047789689701
                3s
                   +0 :              -0.00283058211700
                4s
                   +0 :               0.00112106876443
                3p
                   -1 :               0.00232651889493
                   +0 :              -0.00090609572039
                   +1 :              -0.00230173942536
                4p
                   -1 :              -0.00088563161166
                   +0 :              -0.00001754280361
                   +1 :               0.00065521477180
                3d
                   -2 :               0.00049875712354
                   -1 :               0.00032023235819
                   +0 :               0.00018833958926
                   +1 :              -0.00053170486841
                   +2 :              -0.00033512957416
              5 vec=     2.802933     10.360070      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00019221053078
                2p
                   -1 :               0.00007114218599
                   +0 :              -0.00003330077927
                   +1 :              -0.00014029756593
                3s
                   +0 :              -0.00055524145480
                4s
                   +0 :              -0.00004447322686
                3p
                   -1 :              -0.00014291607535
                   +0 :              -0.00011853182618
                   +1 :               0.00085755640451
                4p
                   -1 :              -0.00011811405219
                   +0 :               0.00006640748629
                   +1 :              -0.00029986400316
                3d
                   -2 :               0.00014055259358
                   -1 :              -0.00011535030150
                   +0 :               0.00001757550205
                   +1 :               0.00010194806632
                   +2 :               0.00001659411868
              6 vec=    10.583096     -3.115567      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00018865506296
                2p
                   -1 :               0.00007724699164
                   +0 :               0.00005677192361
                   +1 :               0.00018105602507
                3s
                   +0 :               0.00037898971833
                4s
                   +0 :               0.00016841201392
                3p
                   -1 :              -0.00101240289776
                   +0 :              -0.00007319821862
                   +1 :              -0.00029889792317
                4p
                   -1 :               0.00015091291365
                   +0 :              -0.00000457314080
                   +1 :               0.00017744690895
                3d
                   -2 :              -0.00015519293328
                   -1 :              -0.00002734806649
                   +0 :              -0.00008197732462
                   +1 :              -0.00021779890166
                   +2 :              -0.00005651004596
              7 vec=    10.583096      5.868191      5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00011215638915
                2p
                   -1 :              -0.00009079159466
                   +0 :               0.00000912937047
                   +1 :               0.00004233310713
                3s
                   +0 :              -0.00018096307160
                4s
                   +0 :               0.00011366649795
                3p
                   -1 :               0.00037878753978
                   +0 :              -0.00003762639542
                   +1 :              -0.00031243763413
                4p
                   -1 :              -0.00000970790686
                   +0 :              -0.00005028111498
                   +1 :               0.00010809784949
                3d
                   -2 :               0.00013407999855
                   -1 :              -0.00001355556501
                   +0 :               0.00009248178993
                   +1 :               0.00001860120521
                   +2 :              -0.00002705810039
              8 vec=   -12.757392      1.376312      5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00020428613347
                2p
                   -1 :               0.00002459271753
                   +0 :              -0.00006198949769
                   +1 :               0.00012964946577
                3s
                   +0 :               0.00029677205648
                4s
                   +0 :              -0.00002336044231
                3p
                   -1 :               0.00005025907702
                   +0 :               0.00018172351707
                   +1 :              -0.00037719929557
                4p
                   -1 :              -0.00000968299841
                   +0 :              -0.00005831149911
                   +1 :               0.00002285595622
                3d
                   -2 :              -0.00000827731990
                   -1 :               0.00000874346999
                   +0 :              -0.00006440129816
                   +1 :              -0.00018747166151
                   +2 :               0.00009216285035
              9 vec=    -4.977229    -12.099325      5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00010228928504
                2p
                   -1 :               0.00001283863010
                   +0 :              -0.00002416368633
                   +1 :               0.00007123010802
                3s
                   +0 :              -0.00061243585220
                4s
                   +0 :               0.00021766581137
                3p
                   -1 :               0.00010676633014
                   +0 :               0.00007523328001
                   +1 :              -0.00042743289185
                4p
                   -1 :              -0.00008320831194
                   +0 :               0.00004027336933
                   +1 :               0.00009550202857
                3d
                   -2 :               0.00018438701418
                   -1 :              -0.00012495889338
                   +0 :               0.00000226658982
                   +1 :              -0.00001257961346
                   +2 :              -0.00003265964279
             10 vec=   -12.757392     -7.607446      5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00010330924460
                2p
                   -1 :               0.00002328737875
                   +0 :               0.00002179386998
                   +1 :               0.00009585825936
                3s
                   +0 :               0.00013815871769
                4s
                   +0 :              -0.00011618457235
                3p
                   -1 :              -0.00010055909228
                   +0 :              -0.00024499317713
                   +1 :              -0.00038840987693
                4p
                   -1 :               0.00000663133774
                   +0 :               0.00008852810615
                   +1 :               0.00011214036577
                3d
                   -2 :               0.00005609434415
                   -1 :               0.00000478023855
                   +0 :              -0.00005303445970
                   +1 :              -0.00003403733401
                   +2 :               0.00006582163282
             11 vec=    -4.977229     14.851949      5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00000722549523
                2p
                   -1 :              -0.00004133584798
                   +0 :              -0.00004566188994
                   +1 :               0.00001099862999
                3s
                   +0 :              -0.00012785586181
                4s
                   +0 :               0.00005654767488
                3p
                   -1 :               0.00017939501791
                   +0 :               0.00020971015395
                   +1 :              -0.00005723856793
                4p
                   -1 :              -0.00001981828996
                   +0 :              -0.00002977042937
                   +1 :               0.00000762487304
                3d
                   -2 :              -0.00001821948147
                   -1 :               0.00009228712608
                   +0 :              -0.00001018579946
                   +1 :              -0.00002870333881
                   +2 :              -0.00007496019247
             12 vec=    10.583096    -12.099325      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00003749490635
                2p
                   -1 :               0.00000866484800
                   +0 :               0.00002060115234
                   +1 :               0.00006037445585
                3s
                   +0 :               0.00015136733491
                4s
                   +0 :               0.00002520583543
                3p
                   -1 :              -0.00008006263396
                   +0 :              -0.00001441066384
                   +1 :              -0.00022452305691
                4p
                   -1 :               0.00002047855082
                   +0 :               0.00000338640032
                   +1 :               0.00008203810069
                3d
                   -2 :               0.00001409355095
                   -1 :               0.00000552386270
                   +0 :               0.00002255718310
                   +1 :              -0.00002226552892
                   +2 :              -0.00000792680271
             13 vec=   -12.757392     10.360070      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00001833929840
                2p
                   -1 :               0.00001955383233
                   +0 :              -0.00000005759581
                   +1 :              -0.00003729498302
                3s
                   +0 :              -0.00016061074894
                4s
                   +0 :               0.00008546793137
                3p
                   -1 :              -0.00010142836772
                   +0 :               0.00000191378947
                   +1 :               0.00028425764756
                4p
                   -1 :               0.00004735959265
                   +0 :               0.00001140303934
                   +1 :              -0.00008569452996
                3d
                   -2 :               0.00003395339030
                   -1 :              -0.00000571185681
                   +0 :              -0.00002801501440
                   +1 :               0.00002245282681
                   +2 :              -0.00002901982995
             14 vec=     2.802933    -16.591204      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00003492626464
                2p
                   -1 :              -0.00000224649833
                   +0 :               0.00000137605387
                   +1 :              -0.00001253198114
                3s
                   +0 :               0.00012757160100
                4s
                   +0 :              -0.00000714151999
                3p
                   -1 :               0.00004085641928
                   +0 :              -0.00002344970910
                   +1 :               0.00000475844824
                4p
                   -1 :              -0.00002670516121
                   +0 :               0.00001050695655
                   +1 :              -0.00000448513838
                3d
                   -2 :               0.00003389825444
                   -1 :               0.00000628627652
                   +0 :               0.00000395276599
                   +1 :              -0.00001218894442
                   +2 :               0.00001252572804
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al(  8)  npairs=  14
              1 vec=     2.802933      1.376312     -1.580616   |vec|=    3.499860
                2s
                   +0 :               0.03823315014199
                2p
                   -1 :               0.02049499914105
                   +0 :              -0.02467156720339
                   +1 :               0.03077192552530
                3s
                   +0 :               0.10702352571483
                4s
                   +0 :               0.00926287855092
                3p
                   -1 :               0.03836744981327
                   +0 :              -0.05205797422439
                   +1 :               0.05634883923932
                4p
                   -1 :               0.01185468376034
                   +0 :              -0.01103358317856
                   +1 :               0.01486296420702
                3d
                   -2 :               0.03553083635750
                   -1 :              -0.03265471541319
                   +0 :               0.00472895308764
                   +1 :              -0.04410911013293
                   +2 :               0.00854412210203
              2 vec=    -4.977229     -3.115567     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00366007440365
                2p
                   -1 :              -0.00147986501701
                   +0 :              -0.00134485470606
                   +1 :              -0.00274023057411
                3s
                   +0 :              -0.00794214366936
                4s
                   +0 :               0.00531842407664
                3p
                   -1 :               0.00467229326360
                   +0 :               0.00601928747975
                   +1 :               0.00970321222901
                4p
                   -1 :              -0.00149581687337
                   +0 :              -0.00189434914286
                   +1 :              -0.00316599641967
                3d
                   -2 :              -0.00137899595241
                   -1 :              -0.00044408388822
                   +0 :               0.00172384404703
                   +1 :              -0.00204433900107
                   +2 :              -0.00276485700588
              3 vec=    -4.977229      5.868191     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00063505184343
                2p
                   -1 :               0.00074821331416
                   +0 :               0.00043418763867
                   +1 :              -0.00032241788411
                3s
                   +0 :              -0.00730301132410
                4s
                   +0 :               0.00152105604645
                3p
                   -1 :              -0.00393887070740
                   +0 :               0.00272041405509
                   +1 :               0.00744182533495
                4p
                   -1 :               0.00144807908421
                   +0 :               0.00030139833638
                   +1 :              -0.00116575037760
                3d
                   -2 :               0.00097729534211
                   -1 :              -0.00003767424596
                   +0 :               0.00035382221800
                   +1 :               0.00069090465412
                   +2 :              -0.00042855636020
              4 vec=     2.802933     -7.607446     -1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00010379841428
                2p
                   -1 :              -0.00039843085951
                   +0 :               0.00005754070768
                   +1 :               0.00019332174208
                3s
                   +0 :               0.00590508311149
                4s
                   +0 :              -0.00005111312898
                3p
                   -1 :              -0.00201302859583
                   +0 :              -0.00532422491626
                   +1 :              -0.00429368436135
                4p
                   -1 :              -0.00064084215003
                   +0 :               0.00037017926462
                   +1 :               0.00028452831500
                3d
                   -2 :               0.00159233146539
                   -1 :               0.00218863867293
                   +0 :               0.00035734015719
                   +1 :               0.00100787609365
                   +2 :              -0.00026722736076
              5 vec=     2.802933     10.360070     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00014087094064
                2p
                   -1 :              -0.00028074289560
                   +0 :              -0.00001770616158
                   +1 :              -0.00012628528386
                3s
                   +0 :              -0.00204610876153
                4s
                   +0 :              -0.00019480437540
                3p
                   -1 :               0.00131601860297
                   +0 :              -0.00011381277171
                   +1 :              -0.00098128174111
                4p
                   -1 :              -0.00040143955463
                   +0 :               0.00003456865431
                   +1 :               0.00006013647128
                3d
                   -2 :               0.00050157480099
                   -1 :              -0.00038542481037
                   +0 :              -0.00033394788690
                   +1 :               0.00019312760379
                   +2 :              -0.00054605157789
              6 vec=    10.583096     -3.115567     -1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00070407921453
                2p
                   -1 :               0.00029699860878
                   +0 :               0.00004007194121
                   +1 :              -0.00022537625775
                3s
                   +0 :               0.00347758918751
                4s
                   +0 :              -0.00114816683449
                3p
                   -1 :              -0.00189935429117
                   +0 :              -0.00116787341329
                   +1 :               0.00224438514995
                4p
                   -1 :               0.00056048944232
                   +0 :               0.00034081276557
                   +1 :              -0.00048596784754
                3d
                   -2 :              -0.00085929696609
                   -1 :               0.00021108224930
                   +0 :              -0.00031009150100
                   +1 :              -0.00027744227336
                   +2 :              -0.00022738772745
              7 vec=    10.583096      5.868191     -1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00020829597835
                2p
                   -1 :              -0.00000238971686
                   +0 :              -0.00005230715238
                   +1 :              -0.00006666376160
                3s
                   +0 :               0.00045536907150
                4s
                   +0 :               0.00015336580580
                3p
                   -1 :              -0.00006285975828
                   +0 :              -0.00008616690847
                   +1 :               0.00043701397828
                4p
                   -1 :               0.00008058687772
                   +0 :              -0.00002430948116
                   +1 :              -0.00001912079066
                3d
                   -2 :              -0.00005839319947
                   -1 :              -0.00002736067170
                   +0 :              -0.00011207235095
                   +1 :               0.00001379768792
                   +2 :               0.00021336812823
              8 vec=   -12.757392      1.376312     -1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00003004768599
                2p
                   -1 :              -0.00008359416138
                   +0 :              -0.00001326102858
                   +1 :               0.00012285694424
                3s
                   +0 :              -0.00033770500306
                4s
                   +0 :               0.00004171470959
                3p
                   -1 :              -0.00158550229404
                   +0 :               0.00257203991805
                   +1 :              -0.00034805277438
                4p
                   -1 :              -0.00006230341110
                   +0 :              -0.00011758942621
                   +1 :               0.00015796560517
                3d
                   -2 :               0.00037957453242
                   -1 :               0.00029942979283
                   +0 :               0.00011547120407
                   +1 :              -0.00054193661940
                   +2 :               0.00041238982136
              9 vec=    -4.977229    -12.099325     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00020411989797
                2p
                   -1 :               0.00006687312657
                   +0 :               0.00003100208798
                   +1 :              -0.00005039404287
                3s
                   +0 :              -0.00038064862182
                4s
                   +0 :              -0.00004039177912
                3p
                   -1 :               0.00046798093227
                   +0 :               0.00041351689375
                   +1 :               0.00008188492413
                4p
                   -1 :              -0.00000528083616
                   +0 :              -0.00002280322527
                   +1 :              -0.00003774989115
                3d
                   -2 :              -0.00008357866968
                   -1 :              -0.00007623129187
                   +0 :               0.00001599598628
                   +1 :              -0.00005829935092
                   +2 :               0.00016880130862
             10 vec=   -12.757392     -7.607446     -1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00027003489211
                2p
                   -1 :              -0.00001638985512
                   +0 :               0.00002752337875
                   +1 :              -0.00005327130200
                3s
                   +0 :              -0.00137015466289
                4s
                   +0 :               0.00028809780733
                3p
                   -1 :               0.00019087468596
                   +0 :              -0.00003569114951
                   +1 :               0.00042846713614
                4p
                   -1 :               0.00000460914624
                   +0 :               0.00001688715753
                   +1 :              -0.00007870221694
                3d
                   -2 :              -0.00004717597455
                   -1 :               0.00000538863592
                   +0 :              -0.00004225450883
                   +1 :               0.00005282716807
                   +2 :              -0.00000215929582
             11 vec=    -4.977229     14.851949     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00008442548852
                2p
                   -1 :               0.00006944424654
                   +0 :              -0.00002606203144
                   +1 :              -0.00006851040407
                3s
                   +0 :              -0.00013314636439
                4s
                   +0 :               0.00012896340744
                3p
                   -1 :              -0.00035554174101
                   +0 :               0.00037262340729
                   +1 :               0.00027060040129
                4p
                   -1 :               0.00011344321420
                   +0 :              -0.00006571682247
                   +1 :              -0.00008270299708
                3d
                   -2 :              -0.00000542033972
                   -1 :               0.00012105826846
                   +0 :               0.00009362338158
                   +1 :              -0.00004077001964
                   +2 :               0.00005463141190
             12 vec=    10.583096    -12.099325     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00003528031433
                2p
                   -1 :               0.00002720842992
                   +0 :              -0.00001856127742
                   +1 :              -0.00004209100616
                3s
                   +0 :               0.00028775811721
                4s
                   +0 :              -0.00009385671579
                3p
                   -1 :              -0.00017344043629
                   +0 :              -0.00005818728359
                   +1 :               0.00015313341826
                4p
                   -1 :               0.00003776152439
                   +0 :              -0.00002745951464
                   +1 :              -0.00004543115363
                3d
                   -2 :              -0.00000675244563
                   -1 :               0.00003265501109
                   +0 :              -0.00001816466766
                   +1 :              -0.00001891210427
                   +2 :              -0.00006171442916
             13 vec=   -12.757392     10.360070     -1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00005015295631
                2p
                   -1 :              -0.00002095109014
                   +0 :               0.00001090390534
                   +1 :              -0.00006977896625
                3s
                   +0 :               0.00011346465186
                4s
                   +0 :               0.00001180606210
                3p
                   -1 :              -0.00007007895373
                   +0 :               0.00011039609459
                   +1 :               0.00037003806583
                4p
                   -1 :               0.00003892299158
                   +0 :               0.00003508114170
                   +1 :              -0.00007471056031
                3d
                   -2 :               0.00006190061136
                   -1 :               0.00000659561880
                   +0 :               0.00006500439800
                   +1 :              -0.00010009629348
                   +2 :              -0.00001830671028
             14 vec=     2.802933    -16.591204     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00003719977639
                2p
                   -1 :              -0.00000833906179
                   +0 :              -0.00001379670870
                   +1 :              -0.00001884239556
                3s
                   +0 :              -0.00013530600514
                4s
                   +0 :               0.00004503593338
                3p
                   -1 :              -0.00001404040828
                   +0 :               0.00001752254076
                   +1 :               0.00018532018302
                4p
                   -1 :              -0.00000072525304
                   +0 :              -0.00000105285875
                   +1 :              -0.00003244022873
                3d
                   -2 :              -0.00002788696332
                   -1 :              -0.00002937919347
                   +0 :              -0.00001083915632
                   +1 :              -0.00002099238784
                   +2 :              -0.00001917378303
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al(  9)  npairs=  14
              1 vec=     0.209546     -3.115567     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00034992039513
                2p
                   -1 :               0.00032071088852
                   +0 :              -0.00045100807257
                   +1 :               0.00078158432877
                3s
                   +0 :              -0.00497585615569
                4s
                   +0 :               0.00107880583063
                3p
                   -1 :              -0.00170943427071
                   +0 :               0.00510116398710
                   +1 :              -0.00717191115238
                4p
                   -1 :               0.00006124583048
                   +0 :              -0.00106519833855
                   +1 :               0.00083747302927
                3d
                   -2 :              -0.00045045693607
                   -1 :              -0.00053420269071
                   +0 :              -0.00055088954523
                   +1 :              -0.00151724882283
                   +2 :               0.00006736766271
              2 vec=     0.209546      5.868191     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00039649199377
                2p
                   -1 :              -0.00016883860117
                   +0 :              -0.00034829020730
                   +1 :              -0.00063996101223
                3s
                   +0 :               0.00137671488477
                4s
                   +0 :              -0.00136314502359
                3p
                   -1 :               0.00156285206976
                   +0 :               0.00215567265235
                   +1 :               0.00734496073569
                4p
                   -1 :              -0.00055781682509
                   +0 :              -0.00081625833564
                   +1 :              -0.00124352285113
                3d
                   -2 :               0.00293098668319
                   -1 :               0.00032065061295
                   +0 :              -0.00066202400904
                   +1 :              -0.00125369541793
                   +2 :              -0.00112441095803
              3 vec=    -7.570617      1.376312     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00032337580601
                2p
                   -1 :               0.00059735942460
                   +0 :               0.00042442304347
                   +1 :              -0.00030127091348
                3s
                   +0 :               0.00419911275047
                4s
                   +0 :              -0.00002142069017
                3p
                   -1 :              -0.00787306817774
                   +0 :              -0.00341318144847
                   +1 :               0.00255672028015
                4p
                   -1 :               0.00128814263414
                   +0 :               0.00035610738487
                   +1 :              -0.00031847982379
                3d
                   -2 :              -0.00005860777490
                   -1 :               0.00164748866470
                   +0 :              -0.00012910019971
                   +1 :               0.00006374913624
                   +2 :              -0.00215974105296
              4 vec=     7.989708      1.376312     -5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00301142628674
                2p
                   -1 :              -0.00105973194185
                   +0 :              -0.00019173681797
                   +1 :               0.00135963419388
                3s
                   +0 :              -0.00854627302316
                4s
                   +0 :               0.00228531315532
                3p
                   -1 :               0.00539900107081
                   +0 :              -0.00042461763798
                   +1 :              -0.00502541298064
                4p
                   -1 :              -0.00120328762672
                   +0 :               0.00098984444031
                   +1 :               0.00080719625469
                3d
                   -2 :               0.00101081013530
                   -1 :              -0.00020112097295
                   +0 :               0.00083049895956
                   +1 :              -0.00001673770326
                   +2 :               0.00003732329776
              5 vec=    -7.570617     -7.607446     -5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00005053071317
                2p
                   -1 :               0.00017133246032
                   +0 :              -0.00000435922139
                   +1 :               0.00003562051480
                3s
                   +0 :              -0.00103819831317
                4s
                   +0 :              -0.00028449925354
                3p
                   -1 :              -0.00114456658995
                   +0 :               0.00102270376710
                   +1 :              -0.00008882307616
                4p
                   -1 :               0.00041065598094
                   +0 :              -0.00014099679144
                   +1 :               0.00020518913503
                3d
                   -2 :               0.00026772070542
                   -1 :              -0.00001846315558
                   +0 :              -0.00033326604749
                   +1 :              -0.00018824907949
                   +2 :              -0.00004286564677
              6 vec=     7.989708     -7.607446     -5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00014152080347
                2p
                   -1 :               0.00003274250307
                   +0 :              -0.00001218005587
                   +1 :               0.00009410140897
                3s
                   +0 :              -0.00042943544066
                4s
                   +0 :               0.00027412899845
                3p
                   -1 :              -0.00016558481888
                   +0 :              -0.00000488217017
                   +1 :               0.00001372720953
                4p
                   -1 :              -0.00015500247268
                   +0 :               0.00001185024165
                   +1 :               0.00002000072195
                3d
                   -2 :              -0.00030678757060
                   -1 :               0.00012569525211
                   +0 :              -0.00004888193372
                   +1 :               0.00006976776042
                   +2 :              -0.00011479144929
              7 vec=     0.209546    -12.099325     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00010747718653
                2p
                   -1 :              -0.00004152177241
                   +0 :              -0.00005222197673
                   +1 :              -0.00005172946778
                3s
                   +0 :              -0.00063637624594
                4s
                   +0 :               0.00008554588101
                3p
                   -1 :               0.00032617312836
                   +0 :               0.00018317056724
                   +1 :               0.00021904285503
                4p
                   -1 :              -0.00002743406236
                   +0 :              -0.00000165883514
                   +1 :              -0.00006655158491
                3d
                   -2 :               0.00010028890341
                   -1 :              -0.00007723367530
                   +0 :               0.00002879492595
                   +1 :              -0.00000162682743
                   +2 :              -0.00001284439883
              8 vec=    -7.570617     10.360070     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00097709554946
                2p
                   -1 :              -0.00025051258033
                   +0 :               0.00032422941081
                   +1 :               0.00003360984916
                3s
                   +0 :               0.00521745347725
                4s
                   +0 :              -0.00057704375850
                3p
                   -1 :               0.00178393965353
                   +0 :              -0.00271374110443
                   +1 :               0.00011320361050
                4p
                   -1 :              -0.00002569823549
                   +0 :               0.00048852685561
                   +1 :              -0.00002396616067
                3d
                   -2 :               0.00006508711515
                   -1 :              -0.00075306795392
                   +0 :               0.00032517553992
                   +1 :              -0.00003626331100
                   +2 :              -0.00007188822137
              9 vec=     7.989708     10.360070     -5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00027546619021
                2p
                   -1 :               0.00016127737533
                   +0 :              -0.00019691145630
                   +1 :               0.00008677599400
                3s
                   +0 :              -0.00169506424716
                4s
                   +0 :               0.00033112735208
                3p
                   -1 :              -0.00099731524677
                   +0 :               0.00101559438410
                   +1 :              -0.00027673215937
                4p
                   -1 :               0.00022970543843
                   +0 :              -0.00016957427069
                   +1 :               0.00003373817891
                3d
                   -2 :               0.00000574109877
                   -1 :               0.00035467202770
                   +0 :               0.00000085636962
                   +1 :              -0.00003357543885
                   +2 :               0.00011597464945
             10 vec=     0.209546     14.851949     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00001577859986
                2p
                   -1 :              -0.00000913336731
                   +0 :              -0.00003690660257
                   +1 :              -0.00002285852545
                3s
                   +0 :              -0.00008044389067
                4s
                   +0 :              -0.00002587668138
                3p
                   -1 :              -0.00013611369139
                   +0 :               0.00023306369789
                   +1 :               0.00005566694203
                4p
                   -1 :              -0.00000741026926
                   +0 :              -0.00007242214418
                   +1 :              -0.00002187005129
                3d
                   -2 :              -0.00001951774502
                   -1 :               0.00003534881320
                   +0 :               0.00002625124165
                   +1 :               0.00003966899708
                   +2 :               0.00007604645058
             11 vec=   -15.350780     -3.115567     -5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00001420755080
                2p
                   -1 :               0.00001666432846
                   +0 :               0.00001407505405
                   +1 :              -0.00000634421951
                3s
                   +0 :               0.00006899910938
                4s
                   +0 :              -0.00003334208428
                3p
                   -1 :               0.00005292088575
                   +0 :              -0.00012419769747
                   +1 :              -0.00003203608774
                4p
                   -1 :               0.00000009563604
                   +0 :               0.00000443094595
                   +1 :               0.00000296914781
                3d
                   -2 :              -0.00001361237442
                   -1 :              -0.00000420678820
                   +0 :               0.00003696823207
                   +1 :               0.00007341215636
                   +2 :               0.00004149999095
             12 vec=    15.769871     -3.115567     -5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00022756513567
                2p
                   -1 :              -0.00010225771065
                   +0 :              -0.00007303491447
                   +1 :               0.00008581667291
                3s
                   +0 :              -0.00060320328203
                4s
                   +0 :               0.00020880735156
                3p
                   -1 :               0.00057887866996
                   +0 :               0.00034043702794
                   +1 :              -0.00032244234660
                4p
                   -1 :              -0.00015470532599
                   +0 :              -0.00008843898981
                   +1 :               0.00007879332709
                3d
                   -2 :               0.00007260237496
                   -1 :              -0.00010410418846
                   +0 :               0.00000027948732
                   +1 :               0.00009132141135
                   +2 :              -0.00001019998654
             13 vec=   -15.350780      5.868191     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00004326079407
                2p
                   -1 :              -0.00001008644171
                   +0 :               0.00004247417827
                   +1 :              -0.00000763583967
                3s
                   +0 :               0.00059609689648
                4s
                   +0 :              -0.00007251402765
                3p
                   -1 :               0.00012161976891
                   +0 :              -0.00033441760962
                   +1 :               0.00006575989773
                4p
                   -1 :              -0.00000536357474
                   +0 :               0.00007564021837
                   +1 :              -0.00002141160903
                3d
                   -2 :              -0.00002176531050
                   -1 :               0.00003223442121
                   +0 :               0.00001128261051
                   +1 :               0.00005980114388
                   +2 :               0.00004124252185
             14 vec=    15.769871      5.868191     -5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00002418624159
                2p
                   -1 :              -0.00001261290265
                   +0 :              -0.00003155304567
                   +1 :              -0.00003363583300
                3s
                   +0 :              -0.00013694462917
                4s
                   +0 :              -0.00005340013507
                3p
                   -1 :               0.00008160324195
                   +0 :               0.00027101765291
                   +1 :               0.00026297194611
                4p
                   -1 :              -0.00000345717136
                   +0 :              -0.00007557041885
                   +1 :              -0.00011647824894
                3d
                   -2 :              -0.00000886825383
                   -1 :              -0.00001227423206
                   +0 :              -0.00002633736909
                   +1 :               0.00000437480114
                   +2 :              -0.00004929925527
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al( 10)  npairs=  14
              1 vec=     0.209546     -3.115567      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.00178909199614
                2p
                   -1 :              -0.00318095164165
                   +0 :               0.00196688434945
                   +1 :              -0.00764235029386
                3s
                   +0 :               0.02927926801033
                4s
                   +0 :              -0.00401637190914
                3p
                   -1 :              -0.02145660812409
                   +0 :               0.00098303888957
                   +1 :              -0.04378131645835
                4p
                   -1 :               0.00001149124964
                   +0 :               0.00070091669305
                   +1 :              -0.00179096206073
                3d
                   -2 :               0.03606756780542
                   -1 :              -0.00542287108843
                   +0 :              -0.00335441069071
                   +1 :              -0.01844529345620
                   +2 :              -0.01135986127901
              2 vec=     0.209546      5.868191      1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00185009603338
                2p
                   -1 :               0.00174636988460
                   +0 :              -0.00070238256117
                   +1 :               0.00110392460533
                3s
                   +0 :              -0.01379154154534
                4s
                   +0 :               0.00234451816386
                3p
                   -1 :              -0.00812948121614
                   +0 :               0.00478671214412
                   +1 :              -0.00816637891382
                4p
                   -1 :               0.00220544601203
                   +0 :              -0.00176940658683
                   +1 :               0.00237197938895
                3d
                   -2 :               0.00148996796440
                   -1 :               0.00085667786206
                   +0 :               0.00062522015322
                   +1 :               0.00033005392358
                   +2 :              -0.00216925770430
              3 vec=    -7.570617      1.376312      1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00013646216700
                2p
                   -1 :              -0.00026662348673
                   +0 :               0.00029230176642
                   +1 :              -0.00061172108037
                3s
                   +0 :              -0.01301992066165
                4s
                   +0 :               0.00025158531711
                3p
                   -1 :              -0.00638455037339
                   +0 :              -0.00879716639438
                   +1 :               0.00518877843009
                4p
                   -1 :              -0.00049647254504
                   +0 :               0.00088642499792
                   +1 :              -0.00045900783096
                3d
                   -2 :               0.00262530037768
                   -1 :              -0.00122624525055
                   +0 :              -0.00076845603584
                   +1 :               0.00249580939982
                   +2 :               0.00146794681424
              4 vec=     7.989708      1.376312      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00130896070973
                2p
                   -1 :              -0.00073629254189
                   +0 :              -0.00048766878243
                   +1 :               0.00049166593931
                3s
                   +0 :               0.01313115416144
                4s
                   +0 :              -0.00188339661143
                3p
                   -1 :               0.01090342938666
                   +0 :               0.00922631354190
                   +1 :              -0.00195706731124
                4p
                   -1 :              -0.00108263225141
                   +0 :              -0.00105007824212
                   +1 :               0.00049779350268
                3d
                   -2 :               0.00130815551972
                   -1 :               0.00386572980184
                   +0 :               0.00131746816155
                   +1 :               0.00113270526684
                   +2 :              -0.00390425927434
              5 vec=    -7.570617     -7.607446      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00025775365226
                2p
                   -1 :              -0.00032753573774
                   +0 :               0.00016209452233
                   +1 :               0.00012420070896
                3s
                   +0 :              -0.00275017943690
                4s
                   +0 :               0.00038649130688
                3p
                   -1 :               0.00249383245646
                   +0 :              -0.00154985528240
                   +1 :              -0.00045578065061
                4p
                   -1 :              -0.00035874277986
                   +0 :               0.00013346187836
                   +1 :               0.00003050307979
                3d
                   -2 :               0.00000027161380
                   -1 :               0.00040282437811
                   +0 :               0.00003021169596
                   +1 :               0.00009108318773
                   +2 :               0.00046517158898
              6 vec=     7.989708     -7.607446      1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00105018376446
                2p
                   -1 :               0.00017651429716
                   +0 :              -0.00001039606881
                   +1 :              -0.00018252620027
                3s
                   +0 :               0.00563249946759
                4s
                   +0 :              -0.00134494812189
                3p
                   -1 :              -0.00240651983368
                   +0 :               0.00071851513484
                   +1 :               0.00164626504483
                4p
                   -1 :               0.00023370873348
                   +0 :              -0.00013746657943
                   +1 :              -0.00036097429432
                3d
                   -2 :              -0.00042493401229
                   -1 :              -0.00061414931567
                   +0 :               0.00005840195712
                   +1 :              -0.00018813455729
                   +2 :               0.00006182762062
              7 vec=     0.209546    -12.099325      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00017697233355
                2p
                   -1 :               0.00017227508236
                   +0 :              -0.00021271017334
                   +1 :               0.00007758654845
                3s
                   +0 :               0.00032719468220
                4s
                   +0 :              -0.00009808850164
                3p
                   -1 :              -0.00062176938068
                   +0 :               0.00086532524150
                   +1 :              -0.00008996282392
                4p
                   -1 :               0.00018162697343
                   +0 :              -0.00015977222991
                   +1 :               0.00009724299441
                3d
                   -2 :              -0.00024223771333
                   -1 :              -0.00021407659574
                   +0 :              -0.00005076021984
                   +1 :              -0.00000554691730
                   +2 :              -0.00013744486921
              8 vec=    -7.570617     10.360070      1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00041010633444
                2p
                   -1 :              -0.00001380390979
                   +0 :              -0.00004958916790
                   +1 :               0.00014797276847
                3s
                   +0 :              -0.00219238256498
                4s
                   +0 :               0.00029169966504
                3p
                   -1 :               0.00014549999204
                   +0 :              -0.00035093192288
                   +1 :              -0.00003292547345
                4p
                   -1 :               0.00000294733278
                   +0 :              -0.00002161823349
                   +1 :               0.00021841081288
                3d
                   -2 :              -0.00049230579670
                   -1 :               0.00011055318971
                   +0 :               0.00001334798155
                   +1 :               0.00038868391025
                   +2 :              -0.00018309792264
              9 vec=     7.989708     10.360070      1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00033766874658
                2p
                   -1 :              -0.00010424645784
                   +0 :              -0.00005595978863
                   +1 :              -0.00002488095384
                3s
                   +0 :               0.00210717364861
                4s
                   +0 :              -0.00016265465923
                3p
                   -1 :               0.00055354301914
                   +0 :               0.00117309312252
                   +1 :               0.00091788699342
                4p
                   -1 :               0.00001530308694
                   +0 :              -0.00016069001041
                   +1 :               0.00011272209875
                3d
                   -2 :               0.00012367843287
                   -1 :               0.00028487280551
                   +0 :               0.00014526976393
                   +1 :               0.00050626302691
                   +2 :               0.00023256546623
             10 vec=     0.209546     14.851949      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00016860624030
                2p
                   -1 :               0.00009294373208
                   +0 :               0.00002015086618
                   +1 :               0.00002576027594
                3s
                   +0 :              -0.00087859972644
                4s
                   +0 :               0.00030563499870
                3p
                   -1 :              -0.00068197302603
                   +0 :              -0.00004976339240
                   +1 :              -0.00018181982349
                4p
                   -1 :               0.00020122073047
                   +0 :               0.00004438800350
                   +1 :               0.00002113099826
                3d
                   -2 :              -0.00000069808137
                   -1 :              -0.00002787060535
                   +0 :              -0.00000699320982
                   +1 :              -0.00010235691200
                   +2 :               0.00007684483712
             11 vec=   -15.350780     -3.115567      1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00011611553139
                2p
                   -1 :              -0.00002948877559
                   +0 :               0.00003813871481
                   +1 :              -0.00006075698335
                3s
                   +0 :              -0.00045202637306
                4s
                   +0 :               0.00018305906406
                3p
                   -1 :               0.00020717751281
                   +0 :              -0.00024527782848
                   +1 :               0.00040403329612
                4p
                   -1 :              -0.00005735081968
                   +0 :               0.00007506193393
                   +1 :              -0.00009999543478
                3d
                   -2 :              -0.00014300301590
                   -1 :               0.00000273768338
                   +0 :               0.00004098189954
                   +1 :               0.00007435357257
                   +2 :              -0.00007105296989
             12 vec=    15.769871     -3.115567      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00010534433410
                2p
                   -1 :              -0.00001217255521
                   +0 :              -0.00001007307751
                   +1 :              -0.00002480636630
                3s
                   +0 :               0.00049842720331
                4s
                   +0 :               0.00002103746253
                3p
                   -1 :               0.00005140457090
                   +0 :               0.00006658647242
                   +1 :               0.00002024638817
                4p
                   -1 :              -0.00008643355955
                   +0 :               0.00001139097768
                   +1 :               0.00008265023218
                3d
                   -2 :               0.00002226587706
                   -1 :              -0.00002881479724
                   +0 :              -0.00004019545770
                   +1 :               0.00004079917330
                   +2 :               0.00004436917466
             13 vec=   -15.350780      5.868191      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00005501105183
                2p
                   -1 :               0.00001276812238
                   +0 :               0.00004214773388
                   +1 :              -0.00001115303634
                3s
                   +0 :              -0.00005597323285
                4s
                   +0 :               0.00004082343458
                3p
                   -1 :              -0.00003909256676
                   +0 :              -0.00016880316247
                   +1 :              -0.00003566952362
                4p
                   -1 :               0.00001081166967
                   +0 :               0.00002312394701
                   +1 :              -0.00001696416800
                3d
                   -2 :              -0.00001216983043
                   -1 :              -0.00005115292777
                   +0 :              -0.00003324037992
                   +1 :               0.00003607758106
                   +2 :               0.00003246700606
             14 vec=    15.769871      5.868191      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00003105253740
                2p
                   -1 :              -0.00000483955314
                   +0 :               0.00002448517548
                   +1 :              -0.00000466186508
                3s
                   +0 :               0.00042245421761
                4s
                   +0 :              -0.00014614640199
                3p
                   -1 :               0.00005962609380
                   +0 :              -0.00006330845283
                   +1 :               0.00023733863173
                4p
                   -1 :              -0.00006322841784
                   +0 :               0.00003881423951
                   +1 :              -0.00005845307955
                3d
                   -2 :               0.00001455441402
                   -1 :              -0.00001606396112
                   +0 :              -0.00000816253427
                   +1 :               0.00000457472732
                   +2 :               0.00003165625189
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al( 11)  npairs=  15
              1 vec=     0.209546     -3.115567    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00024076904712
                2p
                   -1 :               0.00003038057138
                   +0 :               0.00005166178619
                   +1 :               0.00022785735723
                3s
                   +0 :               0.00026063919769
                4s
                   +0 :              -0.00019829347590
                3p
                   -1 :              -0.00074751670948
                   +0 :              -0.00007485188416
                   +1 :              -0.00206140918691
                4p
                   -1 :              -0.00001746206380
                   +0 :              -0.00007234917748
                   +1 :               0.00024383882396
                3d
                   -2 :              -0.00043733334573
                   -1 :               0.00024848493714
                   +0 :              -0.00005399240119
                   +1 :               0.00024163411075
                   +2 :              -0.00024019087005
              2 vec=     0.209546      5.868191    -10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00080576785304
                2p
                   -1 :              -0.00018291063941
                   +0 :               0.00032038255235
                   +1 :              -0.00057347065679
                3s
                   +0 :               0.00187046738086
                4s
                   +0 :              -0.00071965511388
                3p
                   -1 :               0.00035553313204
                   +0 :              -0.00126812814905
                   +1 :               0.00369891990713
                4p
                   -1 :              -0.00001137754709
                   +0 :               0.00027928958603
                   +1 :              -0.00056986566789
                3d
                   -2 :               0.00041089173248
                   -1 :              -0.00017395982399
                   +0 :               0.00003773808710
                   +1 :              -0.00079590144389
                   +2 :              -0.00005194328616
              3 vec=    -7.570617      1.376312    -10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00042851425375
                2p
                   -1 :               0.00006126450776
                   +0 :               0.00007055613206
                   +1 :              -0.00001581137321
                3s
                   +0 :               0.00232326239521
                4s
                   +0 :              -0.00052620963911
                3p
                   -1 :              -0.00105974734555
                   +0 :              -0.00038530705575
                   +1 :               0.00041633678739
                4p
                   -1 :              -0.00014544416990
                   +0 :               0.00012390218073
                   +1 :               0.00005231318341
                3d
                   -2 :              -0.00024860336023
                   -1 :               0.00002756812945
                   +0 :              -0.00013356720542
                   +1 :              -0.00020091490188
                   +2 :              -0.00052057141159
              4 vec=     7.989708      1.376312    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00030003813433
                2p
                   -1 :              -0.00020888155032
                   +0 :              -0.00013127426879
                   +1 :              -0.00009989803305
                3s
                   +0 :               0.00024873118944
                4s
                   +0 :              -0.00005941892928
                3p
                   -1 :               0.00125859468536
                   +0 :              -0.00055213202083
                   +1 :               0.00127935150499
                4p
                   -1 :              -0.00013516488197
                   +0 :               0.00011873652860
                   +1 :              -0.00025119683161
                3d
                   -2 :               0.00019159918440
                   -1 :              -0.00038099750178
                   +0 :               0.00013442303200
                   +1 :              -0.00023970904930
                   +2 :               0.00015368420542
              5 vec=     0.209546     -3.115567     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00008169748910
                2p
                   -1 :               0.00000362394246
                   +0 :               0.00004747087557
                   +1 :               0.00004231372662
                3s
                   +0 :              -0.00015553207239
                4s
                   +0 :               0.00006112385724
                3p
                   -1 :              -0.00005121981130
                   +0 :              -0.00022019112721
                   +1 :              -0.00019703914912
                4p
                   -1 :               0.00007113096096
                   +0 :               0.00005970585823
                   +1 :               0.00004702819718
                3d
                   -2 :              -0.00001168498676
                   -1 :               0.00001058888835
                   +0 :              -0.00001657692311
                   +1 :               0.00003861616504
                   +2 :               0.00001233411725
              6 vec=     0.209546      5.868191     13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00001734261257
                2p
                   -1 :              -0.00007342549604
                   +0 :               0.00005588898439
                   +1 :              -0.00002912787643
                3s
                   +0 :              -0.00017098961858
                4s
                   +0 :               0.00005158114471
                3p
                   -1 :               0.00038575149184
                   +0 :              -0.00035941756240
                   +1 :               0.00014116457483
                4p
                   -1 :              -0.00006467330654
                   +0 :               0.00009225939282
                   +1 :              -0.00002738920841
                3d
                   -2 :              -0.00004807096805
                   -1 :              -0.00003136168714
                   +0 :              -0.00006393611301
                   +1 :              -0.00001630040597
                   +2 :              -0.00003703123130
              7 vec=    -7.570617     -7.607446    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00009417000962
                2p
                   -1 :               0.00001132924687
                   +0 :               0.00001700522191
                   +1 :              -0.00006089560832
                3s
                   +0 :              -0.00095325317642
                4s
                   +0 :               0.00021717434037
                3p
                   -1 :               0.00022272780124
                   +0 :               0.00004503560135
                   +1 :               0.00035581562044
                4p
                   -1 :              -0.00002838649673
                   +0 :              -0.00000354580001
                   +1 :              -0.00010874741273
                3d
                   -2 :              -0.00002561073830
                   -1 :              -0.00006525702542
                   +0 :              -0.00009544050149
                   +1 :               0.00002184589829
                   +2 :               0.00004672915608
              8 vec=     7.989708     -7.607446    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00019533401394
                2p
                   -1 :              -0.00010182625630
                   +0 :              -0.00008881692812
                   +1 :               0.00003576246386
                3s
                   +0 :              -0.00051705034223
                4s
                   +0 :               0.00011001653569
                3p
                   -1 :               0.00025520435652
                   +0 :               0.00036721535071
                   +1 :              -0.00025550164302
                4p
                   -1 :              -0.00002496854110
                   +0 :              -0.00009477388645
                   +1 :               0.00003875426276
                3d
                   -2 :               0.00004107092764
                   -1 :              -0.00003332872765
                   +0 :              -0.00003752086377
                   +1 :               0.00006313188594
                   +2 :              -0.00002509013969
              9 vec=    -7.570617      1.376312     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00009136789946
                2p
                   -1 :              -0.00000128150234
                   +0 :               0.00000201280996
                   +1 :               0.00001984374236
                3s
                   +0 :               0.00021123136027
                4s
                   +0 :              -0.00003106796482
                3p
                   -1 :              -0.00001606180301
                   +0 :              -0.00007759764341
                   +1 :              -0.00013500458691
                4p
                   -1 :               0.00001478618452
                   +0 :               0.00006359206006
                   +1 :               0.00000399273924
                3d
                   -2 :              -0.00002420257659
                   -1 :               0.00000628974130
                   +0 :              -0.00004499829167
                   +1 :               0.00003144635104
                   +2 :               0.00005073418215
             10 vec=     7.989708      1.376312     13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00000635553325
                2p
                   -1 :               0.00001299624254
                   +0 :               0.00001851812376
                   +1 :              -0.00001280205356
                3s
                   +0 :               0.00011619232046
                4s
                   +0 :              -0.00007266306038
                3p
                   -1 :              -0.00000103731572
                   +0 :               0.00000554070865
                   +1 :               0.00003245663759
                4p
                   -1 :              -0.00001359769098
                   +0 :              -0.00003468862791
                   +1 :              -0.00000113691859
                3d
                   -2 :              -0.00001572219263
                   -1 :               0.00005893998603
                   +0 :               0.00002519913929
                   +1 :              -0.00002959466431
                   +2 :               0.00005322849421
             11 vec=     0.209546    -12.099325    -10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00002734222938
                2p
                   -1 :               0.00000287950749
                   +0 :               0.00002291463281
                   +1 :              -0.00000167107896
                3s
                   +0 :              -0.00025069393532
                4s
                   +0 :               0.00001168097195
                3p
                   -1 :               0.00003627404296
                   +0 :              -0.00011780885099
                   +1 :               0.00004416771979
                4p
                   -1 :               0.00000403169722
                   +0 :               0.00005056153528
                   +1 :               0.00001198700627
                3d
                   -2 :               0.00001450557018
                   -1 :               0.00001808326017
                   +0 :               0.00000319035454
                   +1 :              -0.00000661999277
                   +2 :               0.00000980907271
             12 vec=    -7.570617     10.360070    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00011684485022
                2p
                   -1 :              -0.00001339448229
                   +0 :               0.00004999556446
                   +1 :              -0.00001722467809
                3s
                   +0 :               0.00090652647951
                4s
                   +0 :              -0.00024922544276
                3p
                   -1 :               0.00018680112860
                   +0 :              -0.00016796448596
                   +1 :               0.00018121651914
                4p
                   -1 :              -0.00004725736446
                   +0 :               0.00009348112634
                   +1 :              -0.00004692148410
                3d
                   -2 :               0.00004639612662
                   -1 :               0.00000173706295
                   +0 :               0.00018542539893
                   +1 :               0.00003244080231
                   +2 :              -0.00003075879481
             13 vec=     7.989708     10.360070    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00000727862732
                2p
                   -1 :               0.00003001735308
                   +0 :               0.00001056182842
                   +1 :              -0.00005825964531
                3s
                   +0 :              -0.00020528674645
                4s
                   +0 :               0.00004318489997
                3p
                   -1 :              -0.00024698564611
                   +0 :              -0.00001896836577
                   +1 :               0.00027896160475
                4p
                   -1 :               0.00010627416037
                   +0 :               0.00000985371081
                   +1 :              -0.00005420922537
                3d
                   -2 :              -0.00002082473989
                   -1 :               0.00001174348943
                   +0 :               0.00001977563016
                   +1 :               0.00000617421515
                   +2 :               0.00002918738272
             14 vec=    -7.570617     -7.607446     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00000556505031
                2p
                   -1 :               0.00000392897057
                   +0 :               0.00000629077644
                   +1 :              -0.00000124264619
                3s
                   +0 :              -0.00023719763650
                4s
                   +0 :               0.00003071293132
                3p
                   -1 :               0.00005341426499
                   +0 :              -0.00010304275498
                   +1 :               0.00016523053927
                4p
                   -1 :              -0.00000088446114
                   +0 :               0.00004383158300
                   +1 :               0.00000995603938
                3d
                   -2 :              -0.00005031751563
                   -1 :              -0.00001155057043
                   +0 :               0.00002977030051
                   +1 :               0.00000557925272
                   +2 :              -0.00004394485963
             15 vec=     7.989708     -7.607446     13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00003617128646
                2p
                   -1 :              -0.00000266627766
                   +0 :               0.00002635281923
                   +1 :              -0.00000717554178
                3s
                   +0 :               0.00041422124066
                4s
                   +0 :              -0.00004530627511
                3p
                   -1 :              -0.00013646759635
                   +0 :              -0.00008433309599
                   +1 :               0.00014960964256
                4p
                   -1 :              -0.00001313307569
                   +0 :               0.00002620655270
                   +1 :              -0.00001459760934
                3d
                   -2 :              -0.00005374222307
                   -1 :              -0.00000953874712
                   +0 :              -0.00005939991803
                   +1 :              -0.00002022438164
                   +2 :              -0.00002979260564
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site Al( 12)  npairs=  13
              1 vec=     0.209546     -3.115567      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00313309313240
                2p
                   -1 :               0.00046327307485
                   +0 :              -0.00102430725537
                   +1 :               0.00065926669499
                3s
                   +0 :               0.01006842216969
                4s
                   +0 :              -0.00366880687978
                3p
                   -1 :              -0.00053895719038
                   +0 :               0.00358752055716
                   +1 :              -0.01177042821096
                4p
                   -1 :              -0.00046045853824
                   +0 :              -0.00102158391093
                   +1 :               0.00116725535224
                3d
                   -2 :               0.00184983842810
                   -1 :              -0.00008539277727
                   +0 :              -0.00038362211207
                   +1 :              -0.00287808973379
                   +2 :               0.00087317266327
              2 vec=     0.209546      5.868191      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00071955968889
                2p
                   -1 :              -0.00040799405212
                   +0 :               0.00001194389657
                   +1 :              -0.00078540187684
                3s
                   +0 :               0.00676194726365
                4s
                   +0 :              -0.00252188230446
                3p
                   -1 :               0.00504188431586
                   +0 :               0.00276467279272
                   +1 :               0.00486232843725
                4p
                   -1 :              -0.00137640552763
                   +0 :              -0.00073903141761
                   +1 :              -0.00189451160388
                3d
                   -2 :               0.00188341345185
                   -1 :               0.00105386895191
                   +0 :               0.00043875758536
                   +1 :               0.00087473716144
                   +2 :              -0.00080403817820
              3 vec=    -7.570617      1.376312      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00036504313272
                2p
                   -1 :               0.00037617447842
                   +0 :              -0.00025738662513
                   +1 :              -0.00040000286207
                3s
                   +0 :              -0.00396690280194
                4s
                   +0 :               0.00150824746203
                3p
                   -1 :              -0.00279613371923
                   +0 :               0.00030561572961
                   +1 :               0.00317473206627
                4p
                   -1 :               0.00053307265702
                   +0 :               0.00009586119485
                   +1 :              -0.00116292703574
                3d
                   -2 :               0.00025531024686
                   -1 :              -0.00042496726300
                   +0 :               0.00014342367458
                   +1 :               0.00016598828657
                   +2 :              -0.00044924304274
              4 vec=     7.989708      1.376312      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00179946724950
                2p
                   -1 :               0.00014817036274
                   +0 :              -0.00043837834731
                   +1 :              -0.00052400617657
                3s
                   +0 :               0.00770115777430
                4s
                   +0 :              -0.00229897970636
                3p
                   -1 :              -0.00037743274334
                   +0 :               0.00249601152893
                   +1 :               0.00319831986338
                4p
                   -1 :               0.00026886830201
                   +0 :              -0.00065908965685
                   +1 :              -0.00076344791734
                3d
                   -2 :              -0.00031531836723
                   -1 :              -0.00013596771253
                   +0 :               0.00058432079732
                   +1 :               0.00039094154750
                   +2 :               0.00040419959164
              5 vec=    -7.570617     -7.607446      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00047601545992
                2p
                   -1 :               0.00005475288135
                   +0 :              -0.00031126129033
                   +1 :               0.00028402746658
                3s
                   +0 :               0.00139793595095
                4s
                   +0 :              -0.00069887312902
                3p
                   -1 :              -0.00017528801475
                   +0 :               0.00153314092361
                   +1 :              -0.00133454920229
                4p
                   -1 :               0.00006466167800
                   +0 :              -0.00047517108762
                   +1 :               0.00040254878885
                3d
                   -2 :              -0.00001370568062
                   -1 :              -0.00008040923549
                   +0 :               0.00007737394413
                   +1 :              -0.00028784297942
                   +2 :               0.00011326559250
              6 vec=     7.989708     -7.607446      6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00031330248168
                2p
                   -1 :               0.00002649385804
                   +0 :              -0.00020045098729
                   +1 :              -0.00004178060608
                3s
                   +0 :               0.00199955614372
                4s
                   +0 :              -0.00039301214842
                3p
                   -1 :              -0.00026065912157
                   +0 :               0.00145124161993
                   +1 :               0.00032702358098
                4p
                   -1 :               0.00010462735354
                   +0 :              -0.00027836333620
                   +1 :               0.00011425829446
                3d
                   -2 :              -0.00007999414754
                   -1 :              -0.00019400254365
                   +0 :               0.00027883352623
                   +1 :               0.00027344340337
                   +2 :              -0.00006565210325
              7 vec=     0.209546    -12.099325      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00002970345103
                2p
                   -1 :              -0.00003039528314
                   +0 :               0.00006103568498
                   +1 :               0.00008414339277
                3s
                   +0 :               0.00017515165113
                4s
                   +0 :              -0.00002098460302
                3p
                   -1 :              -0.00003097218599
                   +0 :              -0.00038748752226
                   +1 :              -0.00042076479337
                4p
                   -1 :              -0.00002447042265
                   +0 :               0.00006882518996
                   +1 :               0.00009403862438
                3d
                   -2 :              -0.00003887404100
                   -1 :               0.00005045215627
                   +0 :               0.00004468586552
                   +1 :              -0.00017249822796
                   +2 :              -0.00001983243249
              8 vec=    -7.570617     10.360070      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00016303002836
                2p
                   -1 :               0.00006082573211
                   +0 :               0.00010798000618
                   +1 :              -0.00005304395705
                3s
                   +0 :              -0.00092019030317
                4s
                   +0 :               0.00037762467185
                3p
                   -1 :              -0.00059322580215
                   +0 :              -0.00047367452307
                   +1 :               0.00039628682388
                4p
                   -1 :               0.00024215130322
                   +0 :               0.00012510447626
                   +1 :              -0.00015768422920
                3d
                   -2 :               0.00010265017942
                   -1 :              -0.00005050276534
                   +0 :              -0.00007425757523
                   +1 :               0.00002371965441
                   +2 :               0.00001219032893
              9 vec=     7.989708     10.360070      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00011717640117
                2p
                   -1 :               0.00005387944828
                   +0 :               0.00001452875708
                   +1 :               0.00000567980103
                3s
                   +0 :              -0.00032840973029
                4s
                   +0 :               0.00002409503787
                3p
                   -1 :              -0.00028099529902
                   +0 :               0.00007590498063
                   +1 :               0.00000360120509
                4p
                   -1 :               0.00007481806261
                   +0 :              -0.00003638517454
                   +1 :              -0.00004791958578
                3d
                   -2 :               0.00007934722039
                   -1 :              -0.00003105706315
                   +0 :               0.00006672730992
                   +1 :              -0.00001139562802
                   +2 :               0.00005593518420
             10 vec=     0.209546     14.851949      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00001503758328
                2p
                   -1 :              -0.00001395130226
                   +0 :               0.00002698133407
                   +1 :              -0.00002234065006
                3s
                   +0 :              -0.00016177197150
                4s
                   +0 :               0.00001158546749
                3p
                   -1 :               0.00003561941944
                   +0 :              -0.00016557049731
                   +1 :               0.00012053738631
                4p
                   -1 :              -0.00000342611938
                   +0 :               0.00000907865926
                   +1 :              -0.00000873771759
                3d
                   -2 :               0.00004892024789
                   -1 :              -0.00004028119757
                   +0 :              -0.00002239283536
                   +1 :              -0.00000127005404
                   +2 :              -0.00001558835372
             11 vec=   -15.350780     -3.115567      6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00009854602745
                2p
                   -1 :              -0.00002115535743
                   +0 :               0.00002449547497
                   +1 :              -0.00002742381535
                3s
                   +0 :              -0.00061904227157
                4s
                   +0 :               0.00012831432764
                3p
                   -1 :               0.00016044123832
                   +0 :              -0.00023495727212
                   +1 :               0.00020386330521
                4p
                   -1 :              -0.00000749774778
                   +0 :               0.00003870779874
                   +1 :              -0.00002795819163
                3d
                   -2 :              -0.00002254535727
                   -1 :               0.00002706123041
                   +0 :              -0.00004304316791
                   +1 :               0.00006013363693
                   +2 :              -0.00004791915411
             12 vec=    15.769871     -3.115567      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00004528063194
                2p
                   -1 :               0.00001468511124
                   +0 :              -0.00000066725413
                   +1 :               0.00002248500756
                3s
                   +0 :               0.00047728009694
                4s
                   +0 :              -0.00007008135796
                3p
                   -1 :              -0.00012485779252
                   +0 :               0.00008871529623
                   +1 :               0.00001013690859
                4p
                   -1 :               0.00002663024629
                   +0 :              -0.00000246109387
                   +1 :               0.00002680922421
                3d
                   -2 :              -0.00003899143907
                   -1 :              -0.00001707464535
                   +0 :               0.00001092198415
                   +1 :               0.00002113689082
                   +2 :               0.00000357488662
             13 vec=   -15.350780      5.868191      6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00001494748054
                2p
                   -1 :               0.00002620713955
                   +0 :              -0.00000729239695
                   +1 :               0.00002916540472
                3s
                   +0 :              -0.00008732131225
                4s
                   +0 :               0.00003697152207
                3p
                   -1 :              -0.00020851701431
                   +0 :               0.00006372565141
                   +1 :              -0.00016556053038
                4p
                   -1 :               0.00004307518806
                   +0 :              -0.00000842163856
                   +1 :               0.00004504251995
                3d
                   -2 :               0.00000824376654
                   -1 :              -0.00002141535596
                   +0 :              -0.00003236077410
                   +1 :              -0.00004147228869
                   +2 :              -0.00001029545082
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 13)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00526973225274
                2s
                   +0 :               0.04881060140026
                3s
                   +0 :              -0.01255495562558
                2p
                   -1 :              -0.00255585222965
                   +0 :               0.03694921820374
                   +1 :               0.89280916813606
                3p
                   -1 :               0.00086299362722
                   +0 :              -0.01164505733304
                   +1 :              -0.04277847234042
                3d
                   -2 :               0.00257283913212
                   -1 :              -0.00155458645781
                   +0 :              -0.00108265985396
                   +1 :               0.00069543568837
                   +2 :               0.00034018473179
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00021595839519
                2s
                   +0 :              -0.00168164150717
                3s
                   +0 :              -0.00014043843012
                2p
                   -1 :               0.00060652812170
                   +0 :               0.00173156649254
                   +1 :               0.00106567193023
                3p
                   -1 :               0.00134138212455
                   +0 :              -0.00148638718891
                   +1 :              -0.00033124524869
                3d
                   -2 :              -0.00011203394689
                   -1 :              -0.00000773059946
                   +0 :               0.00010158704226
                   +1 :              -0.00002684651876
                   +2 :               0.00029366507372
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00005176282597
                2s
                   +0 :               0.00002584976047
                3s
                   +0 :               0.00000569549002
                2p
                   -1 :              -0.00499771052329
                   +0 :               0.00038358003612
                   +1 :               0.00380170939396
                3p
                   -1 :               0.00205835625239
                   +0 :               0.00061643947872
                   +1 :              -0.00171416907789
                3d
                   -2 :              -0.00005790970489
                   -1 :              -0.00001465871924
                   +0 :               0.00011327612924
                   +1 :              -0.00003017525488
                   +2 :               0.00007297741214
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027673401139
                2s
                   +0 :              -0.00200632879274
                3s
                   +0 :               0.00104225933152
                2p
                   -1 :               0.00214318533350
                   +0 :               0.00045563003217
                   +1 :              -0.00363667390949
                3p
                   -1 :              -0.00190986828083
                   +0 :              -0.00036314522581
                   +1 :               0.00143108511600
                3d
                   -2 :              -0.00006018679956
                   -1 :               0.00008161682199
                   +0 :              -0.00001839063635
                   +1 :              -0.00006210452531
                   +2 :              -0.00006853401015
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00013623714544
                2s
                   +0 :              -0.00041629793183
                3s
                   +0 :              -0.00093404740980
                2p
                   -1 :              -0.00018601624279
                   +0 :              -0.00041403105018
                   +1 :              -0.00301287006445
                3p
                   -1 :              -0.00127717269507
                   +0 :               0.00043560657998
                   +1 :               0.00061653757892
                3d
                   -2 :              -0.00025246925348
                   -1 :               0.00005454876830
                   +0 :               0.00009284914706
                   +1 :              -0.00005940298061
                   +2 :               0.00011918948664
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00047042255961
                2s
                   +0 :               0.00208832773620
                3s
                   +0 :               0.00016535779941
                2p
                   -1 :              -0.00013804155855
                   +0 :               0.00019106902481
                   +1 :              -0.00020317418967
                3p
                   -1 :              -0.00192435231282
                   +0 :               0.00015750055182
                   +1 :               0.00127810268909
                3d
                   -2 :              -0.00014454022335
                   -1 :               0.00017270704432
                   +0 :              -0.00026868459693
                   +1 :               0.00012064995096
                   +2 :              -0.00023525232384
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00009154695592
                2s
                   +0 :               0.00025960772657
                3s
                   +0 :              -0.00003015140372
                2p
                   -1 :               0.00047972345884
                   +0 :               0.00031866115507
                   +1 :               0.00000985558796
                3p
                   -1 :               0.00002979559029
                   +0 :              -0.00049339679297
                   +1 :               0.00018510802215
                3d
                   -2 :               0.00000888377534
                   -1 :              -0.00015627804756
                   +0 :               0.00006147163712
                   +1 :              -0.00000578414676
                   +2 :               0.00010256072559
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00010295193777
                2s
                   +0 :              -0.00106368021254
                3s
                   +0 :               0.00019159006864
                2p
                   -1 :              -0.00013448247276
                   +0 :               0.00009961484751
                   +1 :               0.00127034660140
                3p
                   -1 :               0.00000042355947
                   +0 :               0.00008863064978
                   +1 :              -0.00023555396111
                3d
                   -2 :               0.00000967175719
                   -1 :              -0.00002401720066
                   +0 :               0.00002141186999
                   +1 :               0.00000340592531
                   +2 :              -0.00004979876489
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003222617155
                2s
                   +0 :              -0.00048627607957
                3s
                   +0 :               0.00000049624475
                2p
                   -1 :               0.00026826072489
                   +0 :               0.00007646422089
                   +1 :              -0.00001703559905
                3p
                   -1 :               0.00003983512113
                   +0 :              -0.00007878926639
                   +1 :               0.00012586692809
                3d
                   -2 :              -0.00002809012907
                   -1 :               0.00000571900416
                   +0 :               0.00001138914250
                   +1 :              -0.00000973141624
                   +2 :               0.00000549131501
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00006796465376
                2s
                   +0 :              -0.00065420644718
                3s
                   +0 :               0.00022701014278
                2p
                   -1 :              -0.00067823950369
                   +0 :               0.00030725989406
                   +1 :               0.00045354226376
                3p
                   -1 :               0.00028188562679
                   +0 :              -0.00008016433007
                   +1 :              -0.00006995705697
                3d
                   -2 :               0.00002703586154
                   -1 :               0.00000355906974
                   +0 :               0.00001377987389
                   +1 :              -0.00000161920189
                   +2 :              -0.00000644598448
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00005050074500
                2s
                   +0 :               0.00075062916710
                3s
                   +0 :              -0.00007737629151
                2p
                   -1 :              -0.00052412688318
                   +0 :               0.00003093103554
                   +1 :               0.00038895070108
                3p
                   -1 :               0.00006382325379
                   +0 :              -0.00006560329398
                   +1 :              -0.00010765081460
                3d
                   -2 :              -0.00001272516179
                   -1 :               0.00002486061910
                   +0 :               0.00000053152093
                   +1 :               0.00000398252801
                   +2 :              -0.00001867275622
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003140667936
                2s
                   +0 :               0.00042984273630
                3s
                   +0 :              -0.00006364849218
                2p
                   -1 :               0.00077379344344
                   +0 :              -0.00003486266622
                   +1 :               0.00019274987864
                3p
                   -1 :              -0.00018555732044
                   +0 :               0.00002473664370
                   +1 :              -0.00005767993945
                3d
                   -2 :               0.00002994845830
                   -1 :              -0.00000363705559
                   +0 :              -0.00001033052314
                   +1 :               0.00000253339110
                   +2 :              -0.00000575127260
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00006825509295
                2s
                   +0 :               0.00118851466383
                3s
                   +0 :              -0.00009661815410
                2p
                   -1 :              -0.00005896705762
                   +0 :              -0.00015478319590
                   +1 :               0.00133395986237
                3p
                   -1 :              -0.00000440448009
                   +0 :               0.00014993201118
                   +1 :              -0.00040323217916
                3d
                   -2 :               0.00002099936473
                   -1 :               0.00000940363830
                   +0 :               0.00000183883585
                   +1 :               0.00001013879518
                   +2 :               0.00000686950488
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002776195032
                2s
                   +0 :              -0.00027130241489
                3s
                   +0 :               0.00006556835397
                2p
                   -1 :               0.00001481002490
                   +0 :               0.00001878266279
                   +1 :               0.00022480057902
                3p
                   -1 :               0.00000873130273
                   +0 :              -0.00000232328254
                   +1 :              -0.00006720024121
                3d
                   -2 :               0.00000298572176
                   -1 :              -0.00000607475034
                   +0 :              -0.00000020840626
                   +1 :              -0.00000332069472
                   +2 :              -0.00000006735804
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00003025535128
                2s
                   +0 :               0.00026067383116
                3s
                   +0 :              -0.00007046011834
                2p
                   -1 :              -0.00016647377821
                   +0 :               0.00007377278136
                   +1 :               0.00006919600702
                3p
                   -1 :               0.00012627169300
                   +0 :               0.00000759476864
                   +1 :              -0.00003342039589
                3d
                   -2 :               0.00000240647020
                   -1 :               0.00000263358806
                   +0 :               0.00000585556891
                   +1 :               0.00000409517610
                   +2 :              -0.00000731529060
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000438382905
                2s
                   +0 :               0.00003735976938
                3s
                   +0 :              -0.00001321408387
                2p
                   -1 :              -0.00004018252160
                   +0 :               0.00001520513000
                   +1 :              -0.00002719114152
                3p
                   -1 :               0.00000775334091
                   +0 :              -0.00001203555128
                   +1 :               0.00000294582633
                3d
                   -2 :               0.00000045619772
                   -1 :              -0.00000295004456
                   +0 :              -0.00000209152546
                   +1 :               0.00000411500287
                   +2 :               0.00000346990193
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000255679405
                2s
                   +0 :              -0.00005088026071
                3s
                   +0 :               0.00001900226155
                2p
                   -1 :              -0.00000561211176
                   +0 :              -0.00003895469713
                   +1 :              -0.00006046742811
                3p
                   -1 :              -0.00000120509914
                   +0 :               0.00005373155705
                   +1 :               0.00005612017423
                3d
                   -2 :               0.00000420420149
                   -1 :               0.00000348274965
                   +0 :              -0.00000231946230
                   +1 :              -0.00000070022790
                   +2 :              -0.00000366386373
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001520746690
                2s
                   +0 :               0.00015972026610
                3s
                   +0 :              -0.00002397807128
                2p
                   -1 :              -0.00000196518982
                   +0 :              -0.00002799079229
                   +1 :               0.00007259356336
                3p
                   -1 :              -0.00003288211445
                   +0 :              -0.00000315635311
                   +1 :              -0.00001275067572
                3d
                   -2 :               0.00000165528355
                   -1 :               0.00000018236902
                   +0 :               0.00000272605232
                   +1 :              -0.00000315679320
                   +2 :              -0.00000423199180
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000164298772
                2s
                   +0 :               0.00008854594189
                3s
                   +0 :               0.00001994858319
                2p
                   -1 :               0.00012240732305
                   +0 :               0.00006697563011
                   +1 :               0.00006426161418
                3p
                   -1 :              -0.00003215464556
                   +0 :              -0.00004296832517
                   +1 :               0.00003757575446
                3d
                   -2 :              -0.00000152957307
                   -1 :              -0.00000333341374
                   +0 :              -0.00000368904256
                   +1 :               0.00000020532190
                   +2 :               0.00000233942980
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 14)  npairs=  12
              1 vec=    -4.767684     -0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00522045924026
                2s
                   +0 :              -0.10632936343479
                3s
                   +0 :               0.01149687564867
                2p
                   -1 :               0.00524143201898
                   +0 :               0.00480939514129
                   +1 :               0.06125950527519
                3p
                   -1 :              -0.00308377355291
                   +0 :              -0.00206421273485
                   +1 :              -0.01162558663629
                3d
                   -2 :               0.00138280306130
                   -1 :               0.00160187878817
                   +0 :               0.00142353039079
                   +1 :              -0.00045046881193
                   +2 :              -0.00230186375848
              2 vec=     3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00149144913885
                2s
                   +0 :               0.03249008010133
                3s
                   +0 :              -0.00161812590524
                2p
                   -1 :              -0.02234149331417
                   +0 :              -0.00017922301069
                   +1 :               0.01199594318208
                3p
                   -1 :               0.00071826172835
                   +0 :              -0.00024569590430
                   +1 :              -0.00138352344166
                3d
                   -2 :              -0.00099077508089
                   -1 :              -0.00049961891260
                   +0 :              -0.00102012345436
                   +1 :               0.00020081730252
                   +2 :              -0.00152099465600
              3 vec=     3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00015666204616
                2s
                   +0 :               0.02552064862422
                3s
                   +0 :               0.00462940203620
                2p
                   -1 :               0.02502621962243
                   +0 :               0.00250454048963
                   +1 :               0.00811988454667
                3p
                   -1 :               0.00330639322517
                   +0 :              -0.00383593017376
                   +1 :               0.00197949406323
                3d
                   -2 :               0.00177173655390
                   -1 :              -0.00071398470975
                   +0 :              -0.00116095577736
                   +1 :               0.00062647433587
                   +2 :              -0.00161712069688
              4 vec=    -4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00030620941430
                2s
                   +0 :              -0.00310987056596
                3s
                   +0 :               0.00059635580264
                2p
                   -1 :               0.00257338608442
                   +0 :              -0.00026138369097
                   +1 :               0.00167796232735
                3p
                   -1 :              -0.00071819397301
                   +0 :               0.00008932368833
                   +1 :              -0.00095300955390
                3d
                   -2 :               0.00004308803338
                   -1 :               0.00003825069568
                   +0 :              -0.00007795992355
                   +1 :              -0.00005840562825
                   +2 :               0.00006728474831
              5 vec=    -4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00011362760612
                2s
                   +0 :              -0.00167728352069
                3s
                   +0 :              -0.00026916424792
                2p
                   -1 :              -0.00280367150502
                   +0 :               0.00047783010561
                   +1 :               0.00112113238653
                3p
                   -1 :              -0.00063599947306
                   +0 :               0.00020793474526
                   +1 :               0.00014736024187
                3d
                   -2 :               0.00023785481736
                   -1 :               0.00011700878101
                   +0 :               0.00021952956889
                   +1 :              -0.00001787072800
                   +2 :               0.00015739190723
              6 vec=    10.792642      0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00101811338508
                2s
                   +0 :               0.00862853687827
                3s
                   +0 :              -0.00256955434190
                2p
                   -1 :               0.00071517663987
                   +0 :              -0.00177111877821
                   +1 :               0.00907449350186
                3p
                   -1 :              -0.00011376962495
                   +0 :               0.00112302010931
                   +1 :              -0.00273687027855
                3d
                   -2 :               0.00006956066108
                   -1 :              -0.00006022074479
                   +0 :              -0.00008195746831
                   +1 :               0.00012194561101
                   +2 :               0.00008957377246
              7 vec=   -12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00004725724954
                2s
                   +0 :              -0.00076588034466
                3s
                   +0 :              -0.00006355720523
                2p
                   -1 :               0.00007861449658
                   +0 :              -0.00012946079824
                   +1 :              -0.00024701893994
                3p
                   -1 :               0.00018901085307
                   +0 :               0.00012702148879
                   +1 :               0.00035586820527
                3d
                   -2 :              -0.00000289873532
                   -1 :               0.00000684313277
                   +0 :               0.00005270714777
                   +1 :              -0.00001297769814
                   +2 :               0.00001990594166
              8 vec=   -12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00006617076764
                2s
                   +0 :               0.00021094433334
                3s
                   +0 :              -0.00018677388844
                2p
                   -1 :              -0.00020676555591
                   +0 :               0.00001846523740
                   +1 :              -0.00039719885924
                3p
                   -1 :               0.00011789107891
                   +0 :               0.00020921979685
                   +1 :               0.00043081833442
                3d
                   -2 :              -0.00001917824887
                   -1 :               0.00001370473982
                   +0 :               0.00004134466961
                   +1 :              -0.00003747193879
                   +2 :              -0.00000755788461
              9 vec=     3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00003238578867
                2s
                   +0 :               0.00031435212798
                3s
                   +0 :              -0.00011297823310
                2p
                   -1 :              -0.00023819977269
                   +0 :              -0.00002535652009
                   +1 :              -0.00031916017586
                3p
                   -1 :               0.00019210063302
                   +0 :              -0.00000745441519
                   +1 :              -0.00007298729496
                3d
                   -2 :               0.00004793544999
                   -1 :               0.00000184808094
                   +0 :               0.00001725651894
                   +1 :              -0.00001728301485
                   +2 :               0.00001414664103
             10 vec=     3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00010889157369
                2s
                   +0 :              -0.00091652359836
                3s
                   +0 :               0.00026525124107
                2p
                   -1 :              -0.00073719925634
                   +0 :              -0.00014440230643
                   +1 :              -0.00075055117334
                3p
                   -1 :               0.00028381018111
                   +0 :               0.00018426470275
                   +1 :               0.00018300236083
                3d
                   -2 :              -0.00003539747943
                   -1 :               0.00000204050687
                   +0 :              -0.00000913361868
                   +1 :              -0.00001007202295
                   +2 :               0.00001382299265
             11 vec=    10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00008328320601
                2s
                   +0 :               0.00095894576571
                3s
                   +0 :              -0.00025105567140
                2p
                   -1 :              -0.00043254934908
                   +0 :               0.00001876565210
                   +1 :               0.00064016390543
                3p
                   -1 :               0.00015429369479
                   +0 :              -0.00007162896179
                   +1 :              -0.00028324421989
                3d
                   -2 :               0.00003035428314
                   -1 :              -0.00002152405354
                   +0 :               0.00001193323381
                   +1 :              -0.00000240568684
                   +2 :              -0.00000912788747
             12 vec=    10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00001729819491
                2s
                   +0 :               0.00036032100267
                3s
                   +0 :              -0.00004343095686
                2p
                   -1 :               0.00007598712669
                   +0 :               0.00010599849473
                   +1 :               0.00070509512283
                3p
                   -1 :               0.00003622391053
                   +0 :              -0.00022133747512
                   +1 :              -0.00034063314921
                3d
                   -2 :              -0.00000259381279
                   -1 :              -0.00000544342062
                   +0 :              -0.00001113156107
                   +1 :               0.00001668697609
                   +2 :              -0.00000743751063
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 15)  npairs=  12
              1 vec=    -2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00268225494789
                2s
                   +0 :              -0.05568414899734
                3s
                   +0 :               0.00567821337946
                2p
                   -1 :              -0.03147060381305
                   +0 :              -0.00221447405214
                   +1 :               0.00649262934463
                3p
                   -1 :               0.00586642943353
                   +0 :               0.00275721666786
                   +1 :              -0.00265512739019
                3d
                   -2 :               0.00064115850115
                   -1 :              -0.00009172914114
                   +0 :              -0.00024358294330
                   +1 :               0.00001239636565
                   +2 :               0.00086257055067
              2 vec=    -2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00207344464694
                2s
                   +0 :              -0.02800276548595
                3s
                   +0 :               0.00521560307408
                2p
                   -1 :               0.01839565384963
                   +0 :               0.00019818068676
                   +1 :               0.00136468030983
                3p
                   -1 :              -0.00287493349972
                   +0 :              -0.00027927137668
                   +1 :               0.00099757707406
                3d
                   -2 :              -0.00036581615038
                   -1 :               0.00011766248838
                   +0 :               0.00029487436435
                   +1 :               0.00047900053340
                   +2 :               0.00072064911253
              3 vec=     5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00071519692251
                2s
                   +0 :               0.04927073605425
                3s
                   +0 :               0.00393374713481
                2p
                   -1 :              -0.00753379160463
                   +0 :               0.00018787598026
                   +1 :               0.03820581226813
                3p
                   -1 :               0.00009160592500
                   +0 :              -0.00246887110084
                   +1 :               0.00666412261167
                3d
                   -2 :              -0.00028097680956
                   -1 :               0.00001980109570
                   +0 :              -0.00198001210789
                   +1 :              -0.00111677376969
                   +2 :               0.00384989164458
              4 vec=   -10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00034970503341
                2s
                   +0 :              -0.00448589108719
                3s
                   +0 :               0.00001339044252
                2p
                   -1 :               0.00122800696810
                   +0 :              -0.00002566871615
                   +1 :               0.00654428063306
                3p
                   -1 :              -0.00041993665862
                   +0 :               0.00009917798185
                   +1 :              -0.00023416269273
                3d
                   -2 :               0.00003875654037
                   -1 :              -0.00001397162052
                   +0 :               0.00016129386809
                   +1 :               0.00005298316640
                   +2 :              -0.00040981337775
              5 vec=     5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00052688943292
                2s
                   +0 :               0.00453148598532
                3s
                   +0 :              -0.00105849673992
                2p
                   -1 :               0.00430474889528
                   +0 :              -0.00100651831966
                   +1 :               0.00037975395930
                3p
                   -1 :              -0.00074870926908
                   +0 :               0.00056201584515
                   +1 :               0.00097630629767
                3d
                   -2 :               0.00030430534778
                   -1 :              -0.00010529416530
                   +0 :              -0.00021418812152
                   +1 :              -0.00019246542518
                   +2 :               0.00005500570823
              6 vec=     5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00041975419165
                2s
                   +0 :               0.00406679705698
                3s
                   +0 :              -0.00084992555291
                2p
                   -1 :              -0.00464117933654
                   +0 :              -0.00018937415323
                   +1 :               0.00154077195859
                3p
                   -1 :               0.00102810241013
                   +0 :              -0.00025865547989
                   +1 :              -0.00035832630308
                3d
                   -2 :              -0.00010544317265
                   -1 :              -0.00004234184465
                   +0 :              -0.00005973815287
                   +1 :              -0.00006184378292
                   +2 :              -0.00011055482681
              7 vec=   -10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00002484111668
                2s
                   +0 :              -0.00013112698999
                3s
                   +0 :              -0.00000693578803
                2p
                   -1 :               0.00068307183937
                   +0 :               0.00008025814577
                   +1 :               0.00038694394956
                3p
                   -1 :              -0.00079905997213
                   +0 :               0.00020348867268
                   +1 :              -0.00031429851770
                3d
                   -2 :              -0.00000883854707
                   -1 :              -0.00001485532141
                   +0 :               0.00002401438499
                   +1 :              -0.00007326240310
                   +2 :               0.00006674651442
              8 vec=    -2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00010338780294
                2s
                   +0 :              -0.00071465170795
                3s
                   +0 :               0.00015718392562
                2p
                   -1 :               0.00031471312692
                   +0 :              -0.00006093548591
                   +1 :               0.00005789093950
                3p
                   -1 :              -0.00038627224431
                   +0 :               0.00005293084874
                   +1 :              -0.00005085028448
                3d
                   -2 :              -0.00000464953898
                   -1 :              -0.00000255311885
                   +0 :               0.00003287657231
                   +1 :               0.00002204699756
                   +2 :              -0.00001161516427
              9 vec=   -10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00009155592015
                2s
                   +0 :              -0.00110270977161
                3s
                   +0 :               0.00008398106389
                2p
                   -1 :               0.00084084872073
                   +0 :               0.00001627099743
                   +1 :               0.00032310267141
                3p
                   -1 :              -0.00020875605438
                   +0 :              -0.00001105133772
                   +1 :               0.00010577045525
                3d
                   -2 :              -0.00000908793599
                   -1 :               0.00000346829809
                   +0 :               0.00000477114589
                   +1 :               0.00002518191449
                   +2 :              -0.00002314678405
             10 vec=    13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00004706479761
                2s
                   +0 :               0.00080339290935
                3s
                   +0 :              -0.00010118016587
                2p
                   -1 :               0.00072171908947
                   +0 :               0.00008303770525
                   +1 :               0.00010391644974
                3p
                   -1 :              -0.00014632919292
                   +0 :              -0.00006465469036
                   +1 :              -0.00000630537446
                3d
                   -2 :              -0.00000810894111
                   -1 :              -0.00000467479753
                   +0 :               0.00000545711308
                   +1 :              -0.00001639327827
                   +2 :              -0.00000094942988
             11 vec=    -2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00001317536898
                2s
                   +0 :              -0.00015332054927
                3s
                   +0 :               0.00000949059113
                2p
                   -1 :              -0.00000134671768
                   +0 :               0.00013651494232
                   +1 :              -0.00017961117079
                3p
                   -1 :               0.00003088631242
                   +0 :              -0.00013621996172
                   +1 :              -0.00001195993382
                3d
                   -2 :               0.00000344390935
                   -1 :              -0.00000055731823
                   +0 :               0.00001709411280
                   +1 :               0.00001752798681
                   +2 :              -0.00000508823691
             12 vec=    13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00002616125658
                2s
                   +0 :               0.00054313883316
                3s
                   +0 :              -0.00005927490664
                2p
                   -1 :              -0.00026016782350
                   +0 :              -0.00025330415231
                   +1 :               0.00016612318364
                3p
                   -1 :               0.00003828142083
                   +0 :               0.00016176968276
                   +1 :              -0.00000447004264
                3d
                   -2 :               0.00002698584486
                   -1 :              -0.00001212126808
                   +0 :               0.00000379159339
                   +1 :              -0.00001276072953
                   +2 :              -0.00002599547402
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 16)  npairs=  18
              1 vec=     3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00007607066330
                2s
                   +0 :               0.00059299930925
                3s
                   +0 :              -0.00026809510833
                2p
                   -1 :               0.00050113007327
                   +0 :              -0.00058561683227
                   +1 :               0.00020355779997
                3p
                   -1 :              -0.00041516823106
                   +0 :               0.00043322475073
                   +1 :              -0.00020969728527
                3d
                   -2 :              -0.00001594707235
                   -1 :               0.00000703353213
                   +0 :              -0.00005964527766
                   +1 :               0.00000656211315
                   +2 :              -0.00000452097553
              2 vec=     3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00004985103349
                2s
                   +0 :              -0.00023049533063
                3s
                   +0 :               0.00027689948589
                2p
                   -1 :               0.00004214897486
                   +0 :              -0.00032896876289
                   +1 :              -0.00027193729434
                3p
                   -1 :               0.00007973412326
                   +0 :               0.00038962307648
                   +1 :               0.00013459937508
                3d
                   -2 :              -0.00000036299177
                   -1 :              -0.00000565792219
                   +0 :               0.00000152503611
                   +1 :              -0.00000373275523
                   +2 :              -0.00000994401179
              3 vec=    -4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00004414824116
                2s
                   +0 :               0.00046856432387
                3s
                   +0 :              -0.00005334308296
                2p
                   -1 :              -0.00069022222442
                   +0 :               0.00008349644508
                   +1 :               0.00064876638832
                3p
                   -1 :               0.00015247334454
                   +0 :              -0.00011200882933
                   +1 :              -0.00025940879808
                3d
                   -2 :              -0.00001013275398
                   -1 :               0.00002591290284
                   +0 :              -0.00001158170588
                   +1 :              -0.00001141382394
                   +2 :               0.00004952556288
              4 vec=    -4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00008673575519
                2s
                   +0 :              -0.00055873482047
                3s
                   +0 :               0.00021867664795
                2p
                   -1 :               0.00017326598590
                   +0 :              -0.00041808089839
                   +1 :               0.00004145463016
                3p
                   -1 :              -0.00030651851912
                   +0 :               0.00026385219948
                   +1 :              -0.00007571549902
                3d
                   -2 :              -0.00001415299023
                   -1 :              -0.00005501691494
                   +0 :               0.00002238459436
                   +1 :              -0.00001854144809
                   +2 :               0.00001531147461
              5 vec=    -4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00011368991402
                2s
                   +0 :              -0.00120666475144
                3s
                   +0 :               0.00014941427197
                2p
                   -1 :               0.00012354673896
                   +0 :               0.00066577487620
                   +1 :               0.00029037767403
                3p
                   -1 :               0.00002025398251
                   +0 :              -0.00006395764110
                   +1 :               0.00004502563173
                3d
                   -2 :              -0.00002640294767
                   -1 :              -0.00001326697608
                   +0 :              -0.00001690857616
                   +1 :              -0.00004360464554
                   +2 :              -0.00000893880169
              6 vec=    -4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005958332614
                2s
                   +0 :              -0.00082879303619
                3s
                   +0 :               0.00007606234538
                2p
                   -1 :               0.00019108650484
                   +0 :              -0.00066442290831
                   +1 :               0.00009063063279
                3p
                   -1 :              -0.00002640560069
                   +0 :               0.00002349009536
                   +1 :               0.00001408916951
                3d
                   -2 :              -0.00001755941874
                   -1 :               0.00001168936992
                   +0 :              -0.00002815029666
                   +1 :               0.00001481602071
                   +2 :               0.00000174134494
              7 vec=     3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00014345067500
                2s
                   +0 :              -0.00134382749281
                3s
                   +0 :               0.00022829061987
                2p
                   -1 :              -0.00063602559069
                   +0 :               0.00084269820678
                   +1 :              -0.00019876431006
                3p
                   -1 :               0.00033044444170
                   +0 :              -0.00031585843356
                   +1 :               0.00017433633063
                3d
                   -2 :              -0.00001237635880
                   -1 :               0.00002798470565
                   +0 :              -0.00000827406471
                   +1 :               0.00000461468579
                   +2 :              -0.00000089654377
              8 vec=     3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001477300406
                2s
                   +0 :              -0.00025160930937
                3s
                   +0 :              -0.00002009995548
                2p
                   -1 :               0.00019625503673
                   +0 :              -0.00020939571112
                   +1 :              -0.00051860619289
                3p
                   -1 :              -0.00014503770285
                   +0 :              -0.00003143611312
                   +1 :               0.00035243286235
                3d
                   -2 :               0.00000838727021
                   -1 :              -0.00001319348007
                   +0 :              -0.00003321875495
                   +1 :               0.00001429441959
                   +2 :              -0.00000043924076
              9 vec=     3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00003213415390
                2s
                   +0 :              -0.00034340254900
                3s
                   +0 :               0.00005672654681
                2p
                   -1 :               0.00005721569234
                   +0 :              -0.00001750138715
                   +1 :              -0.00008803436985
                3p
                   -1 :               0.00001304479355
                   +0 :              -0.00002080453156
                   +1 :               0.00000438010294
                3d
                   -2 :               0.00000206976152
                   -1 :               0.00000492825705
                   +0 :               0.00000458881933
                   +1 :               0.00000164006670
                   +2 :               0.00000523852032
             10 vec=     3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002656524004
                2s
                   +0 :               0.00026520087781
                3s
                   +0 :              -0.00006330790274
                2p
                   -1 :              -0.00013336992654
                   +0 :               0.00001734209969
                   +1 :               0.00015140990427
                3p
                   -1 :               0.00004465837074
                   +0 :               0.00008144800413
                   +1 :              -0.00015187012085
                3d
                   -2 :               0.00001634050690
                   -1 :               0.00000263259681
                   +0 :               0.00000791947349
                   +1 :              -0.00000500045316
                   +2 :               0.00000846740835
             11 vec=    10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00005995560358
                2s
                   +0 :              -0.00039999605779
                3s
                   +0 :               0.00020038519391
                2p
                   -1 :              -0.00017939040123
                   +0 :               0.00039023996923
                   +1 :              -0.00026924442841
                3p
                   -1 :               0.00018888380590
                   +0 :              -0.00045113730364
                   +1 :               0.00024108464598
                3d
                   -2 :              -0.00000777233440
                   -1 :              -0.00001883001092
                   +0 :               0.00002358703272
                   +1 :              -0.00001528518818
                   +2 :              -0.00000255105767
             12 vec=    10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000661442119
                2s
                   +0 :               0.00011959619604
                3s
                   +0 :               0.00000805108393
                2p
                   -1 :               0.00016174676812
                   +0 :               0.00004674988572
                   +1 :              -0.00006378017405
                3p
                   -1 :              -0.00009029389197
                   +0 :               0.00004967159362
                   +1 :               0.00008297217481
                3d
                   -2 :              -0.00000656130486
                   -1 :              -0.00000493363814
                   +0 :               0.00000017118421
                   +1 :               0.00000697432193
                   +2 :               0.00000721731254
             13 vec=    10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000125007426
                2s
                   +0 :               0.00001793222471
                3s
                   +0 :               0.00000879375300
                2p
                   -1 :               0.00005710888523
                   +0 :              -0.00005941540548
                   +1 :              -0.00001911561670
                3p
                   -1 :              -0.00007166220736
                   +0 :              -0.00001038094231
                   +1 :               0.00004647402693
                3d
                   -2 :              -0.00000975825237
                   -1 :              -0.00000403975681
                   +0 :               0.00000268312911
                   +1 :              -0.00000556732940
                   +2 :               0.00000105885135
             14 vec=    10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00003942833191
                2s
                   +0 :               0.00040504851126
                3s
                   +0 :              -0.00006839254782
                2p
                   -1 :              -0.00018492566282
                   +0 :               0.00011911589394
                   +1 :               0.00006727444354
                3p
                   -1 :               0.00009568564898
                   +0 :               0.00000583606120
                   +1 :               0.00005359614423
                3d
                   -2 :              -0.00000316227653
                   -1 :               0.00000192133605
                   +0 :               0.00000510983531
                   +1 :               0.00000215427649
                   +2 :               0.00000936091332
             15 vec=   -12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002407426635
                2s
                   +0 :               0.00023728699837
                3s
                   +0 :              -0.00003546793381
                2p
                   -1 :              -0.00007933729673
                   +0 :              -0.00007346354883
                   +1 :               0.00003416320762
                3p
                   -1 :              -0.00007296059692
                   +0 :               0.00005486793222
                   +1 :              -0.00004146059058
                3d
                   -2 :               0.00000998709407
                   -1 :               0.00000526969658
                   +0 :              -0.00000152246118
                   +1 :               0.00000314650987
                   +2 :              -0.00000004263277
             16 vec=   -12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002587344512
                2s
                   +0 :              -0.00025664918885
                3s
                   +0 :               0.00005040140690
                2p
                   -1 :               0.00010905577399
                   +0 :              -0.00010029271176
                   +1 :               0.00008855767083
                3p
                   -1 :              -0.00004304687304
                   +0 :               0.00002214704317
                   +1 :              -0.00004830189810
                3d
                   -2 :              -0.00000512934232
                   -1 :               0.00000408783069
                   +0 :              -0.00000086631446
                   +1 :              -0.00000364839941
                   +2 :               0.00000113455676
             17 vec=    -4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001051667159
                2s
                   +0 :               0.00007922352316
                3s
                   +0 :               0.00009028761122
                2p
                   -1 :               0.00005735702297
                   +0 :              -0.00002623096398
                   +1 :               0.00013646028551
                3p
                   -1 :               0.00002079171922
                   +0 :               0.00002441666147
                   +1 :              -0.00004481751455
                3d
                   -2 :               0.00000625168789
                   -1 :               0.00000436051955
                   +0 :               0.00000691956990
                   +1 :               0.00000299387783
                   +2 :               0.00000048479786
             18 vec=    -4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002945626176
                2s
                   +0 :              -0.00027126627598
                3s
                   +0 :               0.00007257798562
                2p
                   -1 :              -0.00012673500283
                   +0 :              -0.00008987259333
                   +1 :              -0.00004134843364
                3p
                   -1 :               0.00007088806777
                   +0 :               0.00002176606537
                   +1 :               0.00001281766604
                3d
                   -2 :              -0.00000657859843
                   -1 :               0.00000686791441
                   +0 :               0.00000417365796
                   +1 :              -0.00000378119734
                   +2 :              -0.00001266663682
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 17)  npairs=  14
              1 vec=     0.000000      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000109512771
                2s
                   +0 :              -0.00000790922840
                3s
                   +0 :              -0.00011598810596
                2p
                   -1 :              -0.00032889316335
                   +0 :              -0.00048466782520
                   +1 :               0.00054316241334
                3p
                   -1 :               0.00040180895842
                   +0 :               0.00055187606279
                   +1 :              -0.00014095167115
                3d
                   -2 :               0.00004036596322
                   -1 :              -0.00004507679494
                   +0 :              -0.00006492313097
                   +1 :              -0.00000892442163
                   +2 :               0.00001315074275
              2 vec=     0.000000      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008620720324
                2s
                   +0 :              -0.00060575055501
                3s
                   +0 :               0.00036687837866
                2p
                   -1 :              -0.00007122545490
                   +0 :              -0.00048607881510
                   +1 :               0.00003888148871
                3p
                   -1 :               0.00009730022578
                   +0 :               0.00053866925178
                   +1 :               0.00003757560083
                3d
                   -2 :              -0.00000867307656
                   -1 :               0.00001846729003
                   +0 :               0.00005784962229
                   +1 :              -0.00000313553235
                   +2 :              -0.00001019706992
              3 vec=     0.000000     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00010633412019
                2s
                   +0 :              -0.00129777983895
                3s
                   +0 :               0.00012082561047
                2p
                   -1 :              -0.00004199448363
                   +0 :               0.00079304544929
                   +1 :              -0.00094955823290
                3p
                   -1 :               0.00014453926361
                   +0 :              -0.00024249238877
                   +1 :               0.00023869541304
                3d
                   -2 :               0.00002576912367
                   -1 :              -0.00003540170415
                   +0 :              -0.00000427238709
                   +1 :               0.00005299616914
                   +2 :               0.00000250736666
              4 vec=     0.000000     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00006313357864
                2s
                   +0 :               0.00051961921058
                3s
                   +0 :              -0.00010790349943
                2p
                   -1 :               0.00031290636420
                   +0 :               0.00011368825783
                   +1 :              -0.00107536235015
                3p
                   -1 :              -0.00022499348744
                   +0 :              -0.00007138108030
                   +1 :               0.00034792803282
                3d
                   -2 :               0.00001261325165
                   -1 :               0.00000401972326
                   +0 :               0.00001521997438
                   +1 :              -0.00002543824831
                   +2 :               0.00000533431118
              5 vec=    -7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002912071333
                2s
                   +0 :              -0.00021421008229
                3s
                   +0 :               0.00009006333759
                2p
                   -1 :              -0.00039506224596
                   +0 :              -0.00006730682704
                   +1 :              -0.00000703696178
                3p
                   -1 :               0.00022299099807
                   +0 :               0.00010594081598
                   +1 :               0.00010048933816
                3d
                   -2 :              -0.00001248290789
                   -1 :              -0.00000999331914
                   +0 :               0.00001005187033
                   +1 :              -0.00001406662740
                   +2 :               0.00000128296757
              6 vec=    -7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00003957562113
                2s
                   +0 :              -0.00037994711707
                3s
                   +0 :               0.00004070885964
                2p
                   -1 :              -0.00009174311826
                   +0 :              -0.00022022464770
                   +1 :               0.00007938947401
                3p
                   -1 :               0.00009921669096
                   +0 :               0.00003192807074
                   +1 :              -0.00002192272869
                3d
                   -2 :              -0.00000277774760
                   -1 :               0.00000636205225
                   +0 :              -0.00001052833527
                   +1 :               0.00001556889189
                   +2 :               0.00000461763374
              7 vec=     7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000867475850
                2s
                   +0 :               0.00009750775811
                3s
                   +0 :               0.00004785784141
                2p
                   -1 :              -0.00040579577750
                   +0 :              -0.00037729065487
                   +1 :               0.00023939070106
                3p
                   -1 :               0.00025865048162
                   +0 :               0.00017302802286
                   +1 :              -0.00019807738656
                3d
                   -2 :               0.00001810690876
                   -1 :               0.00000081096549
                   +0 :              -0.00001015637886
                   +1 :               0.00000472266957
                   +2 :              -0.00001799929984
              8 vec=     7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004757935192
                2s
                   +0 :               0.00045548318549
                3s
                   +0 :              -0.00005230246664
                2p
                   -1 :               0.00010509060492
                   +0 :               0.00017751341956
                   +1 :               0.00003635139484
                3p
                   -1 :              -0.00018632948573
                   +0 :               0.00003207295384
                   +1 :               0.00001125281746
                3d
                   -2 :              -0.00001377421989
                   -1 :              -0.00003125106011
                   +0 :              -0.00002570040774
                   +1 :               0.00000423878409
                   +2 :              -0.00000587677044
              9 vec=    -7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00011803119222
                2s
                   +0 :               0.00116173199756
                3s
                   +0 :              -0.00014108185057
                2p
                   -1 :               0.00039028789526
                   +0 :              -0.00039427511735
                   +1 :              -0.00004785854327
                3p
                   -1 :              -0.00006470381509
                   +0 :               0.00000374998128
                   +1 :               0.00008560517620
                3d
                   -2 :              -0.00000541759705
                   -1 :              -0.00004699637694
                   +0 :               0.00000965414339
                   +1 :               0.00000128929807
                   +2 :              -0.00001640929530
             10 vec=    -7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001516981949
                2s
                   +0 :              -0.00021691648080
                3s
                   +0 :              -0.00002874193867
                2p
                   -1 :              -0.00009498535364
                   +0 :               0.00002447253531
                   +1 :              -0.00000656794481
                3p
                   -1 :               0.00008667781174
                   +0 :              -0.00013885451183
                   +1 :               0.00004565127624
                3d
                   -2 :              -0.00000557461087
                   -1 :              -0.00000088685280
                   +0 :              -0.00002585010548
                   +1 :               0.00000102396742
                   +2 :              -0.00000960491593
             11 vec=     7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000808655771
                2s
                   +0 :              -0.00009913455812
                3s
                   +0 :              -0.00006256248673
                2p
                   -1 :               0.00010359580400
                   +0 :              -0.00009949304767
                   +1 :               0.00029685431368
                3p
                   -1 :              -0.00005556758828
                   +0 :               0.00009031083430
                   +1 :              -0.00030087462859
                3d
                   -2 :              -0.00000593586595
                   -1 :               0.00001480182571
                   +0 :              -0.00000828926077
                   +1 :               0.00002289338103
                   +2 :               0.00000242484334
             12 vec=     7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000927117063
                2s
                   +0 :              -0.00001583658825
                3s
                   +0 :               0.00003657542581
                2p
                   -1 :              -0.00010991206442
                   +0 :              -0.00020452202260
                   +1 :               0.00019989845856
                3p
                   -1 :               0.00016393396208
                   +0 :               0.00018608529741
                   +1 :              -0.00019096260363
                3d
                   -2 :               0.00000958221892
                   -1 :               0.00002228292953
                   +0 :               0.00001519400191
                   +1 :              -0.00001914132910
                   +2 :              -0.00001892596699
             13 vec=     0.000000     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002004802852
                2s
                   +0 :              -0.00012126328879
                3s
                   +0 :               0.00005780389968
                2p
                   -1 :              -0.00007349075959
                   +0 :              -0.00000142398882
                   +1 :               0.00004853932684
                3p
                   -1 :               0.00003664830901
                   +0 :               0.00000018097361
                   +1 :               0.00007450005575
                3d
                   -2 :               0.00001225677211
                   -1 :              -0.00000156896672
                   +0 :              -0.00000289089744
                   +1 :              -0.00000407422398
                   +2 :               0.00000463617608
             14 vec=     0.000000     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001250320271
                2s
                   +0 :               0.00002299155608
                3s
                   +0 :              -0.00007569001818
                2p
                   -1 :               0.00002848474531
                   +0 :               0.00013251656091
                   +1 :               0.00007442298586
                3p
                   -1 :              -0.00003131198614
                   +0 :              -0.00011039935856
                   +1 :              -0.00003066496067
                3d
                   -2 :               0.00000440526855
                   -1 :              -0.00000171112857
                   +0 :              -0.00000611482356
                   +1 :              -0.00000669929063
                   +2 :              -0.00000654064283
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 18)  npairs=  14
              1 vec=    -2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00011949140335
                2s
                   +0 :              -0.00079755714934
                3s
                   +0 :               0.00028842161129
                2p
                   -1 :              -0.00034157398839
                   +0 :               0.00021968776056
                   +1 :              -0.00014455561571
                3p
                   -1 :              -0.00004407473037
                   +0 :              -0.00022245803504
                   +1 :               0.00010897329385
                3d
                   -2 :               0.00000768572945
                   -1 :               0.00003544485887
                   +0 :               0.00002153095350
                   +1 :               0.00000533933261
                   +2 :              -0.00001226559678
              2 vec=    -2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003301601583
                2s
                   +0 :               0.00003065923914
                3s
                   +0 :              -0.00013558700481
                2p
                   -1 :              -0.00016404316876
                   +0 :               0.00029815979685
                   +1 :               0.00004763154285
                3p
                   -1 :               0.00000797279907
                   +0 :              -0.00028362931965
                   +1 :              -0.00012750837183
                3d
                   -2 :              -0.00000619949871
                   -1 :              -0.00001177905006
                   +0 :              -0.00003143879493
                   +1 :              -0.00002525492412
                   +2 :              -0.00000444360856
              3 vec=     5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00005312884012
                2s
                   +0 :              -0.00042020680134
                3s
                   +0 :               0.00009803044617
                2p
                   -1 :               0.00060029172213
                   +0 :               0.00024188798126
                   +1 :              -0.00022212520253
                3p
                   -1 :              -0.00019397084270
                   +0 :              -0.00011011270637
                   +1 :              -0.00006566823116
                3d
                   -2 :               0.00001213986448
                   -1 :              -0.00002595404359
                   +0 :               0.00003997480783
                   +1 :               0.00004182383009
                   +2 :               0.00000618624014
              4 vec=     5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00007343487894
                2s
                   +0 :               0.00064378699017
                3s
                   +0 :              -0.00003884061299
                2p
                   -1 :               0.00034311764864
                   +0 :              -0.00004495118551
                   +1 :               0.00016018515299
                3p
                   -1 :               0.00002026340829
                   +0 :               0.00034397809261
                   +1 :              -0.00023549210473
                3d
                   -2 :               0.00000373351542
                   -1 :               0.00002483560184
                   +0 :               0.00006540048731
                   +1 :              -0.00000234689480
                   +2 :              -0.00000651392540
              5 vec=    -2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00012156130960
                2s
                   +0 :               0.00102480617657
                3s
                   +0 :              -0.00030864175252
                2p
                   -1 :               0.00063751042711
                   +0 :              -0.00091157776502
                   +1 :              -0.00016455394257
                3p
                   -1 :              -0.00045936122472
                   +0 :               0.00047651995488
                   +1 :               0.00030950351843
                3d
                   -2 :               0.00000740927228
                   -1 :               0.00002310096019
                   +0 :              -0.00000111827611
                   +1 :              -0.00004554011843
                   +2 :               0.00001889447197
              6 vec=    -2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000144860672
                2s
                   +0 :              -0.00004292549025
                3s
                   +0 :               0.00002150326888
                2p
                   -1 :               0.00013485783105
                   +0 :              -0.00000851716988
                   +1 :               0.00019144700879
                3p
                   -1 :              -0.00007635902517
                   +0 :               0.00002622414512
                   +1 :              -0.00014984808229
                3d
                   -2 :              -0.00000529096466
                   -1 :               0.00000191456018
                   +0 :               0.00001302348513
                   +1 :               0.00001280707842
                   +2 :              -0.00000802957443
              7 vec=     5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00003968219628
                2s
                   +0 :              -0.00024023163935
                3s
                   +0 :               0.00014531729292
                2p
                   -1 :               0.00007863305217
                   +0 :               0.00014445035688
                   +1 :               0.00011407367871
                3p
                   -1 :              -0.00011449706282
                   +0 :              -0.00030479473202
                   +1 :              -0.00008636903649
                3d
                   -2 :              -0.00000642653073
                   -1 :               0.00000955384277
                   +0 :               0.00001647185766
                   +1 :              -0.00001267936853
                   +2 :               0.00000144890112
              8 vec=     5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00002470269566
                2s
                   +0 :               0.00060907234509
                3s
                   +0 :               0.00002963047472
                2p
                   -1 :               0.00005554333938
                   +0 :               0.00021101413973
                   +1 :               0.00032917318136
                3p
                   -1 :              -0.00000214349547
                   +0 :               0.00017748730129
                   +1 :              -0.00005255496534
                3d
                   -2 :              -0.00000295042841
                   -1 :              -0.00000186330494
                   +0 :               0.00001301269357
                   +1 :               0.00003458044470
                   +2 :              -0.00000075910606
              9 vec=   -10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00020206905223
                2s
                   +0 :               0.00189795579029
                3s
                   +0 :              -0.00040272195141
                2p
                   -1 :              -0.00028142862397
                   +0 :              -0.00078668965596
                   +1 :              -0.00040072193772
                3p
                   -1 :               0.00006188055386
                   +0 :               0.00036654145768
                   +1 :               0.00008461356469
                3d
                   -2 :               0.00003346590303
                   -1 :               0.00000646048447
                   +0 :              -0.00000551469633
                   +1 :               0.00002471255112
                   +2 :               0.00002927929286
             10 vec=   -10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003117995978
                2s
                   +0 :              -0.00028558083705
                3s
                   +0 :               0.00003951462716
                2p
                   -1 :               0.00008120418466
                   +0 :              -0.00007743762302
                   +1 :              -0.00008632578205
                3p
                   -1 :              -0.00009176224420
                   +0 :              -0.00002876029743
                   +1 :               0.00009366964878
                3d
                   -2 :              -0.00001481353791
                   -1 :              -0.00000302723523
                   +0 :              -0.00000858594584
                   +1 :               0.00001021588208
                   +2 :              -0.00000888441791
             11 vec=    -2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002980444948
                2s
                   +0 :              -0.00034476111652
                3s
                   +0 :               0.00003200101955
                2p
                   -1 :               0.00008436225547
                   +0 :               0.00010408224819
                   +1 :               0.00000457528060
                3p
                   -1 :               0.00001530510919
                   +0 :               0.00002169321350
                   +1 :              -0.00001496233675
                3d
                   -2 :               0.00000308528273
                   -1 :              -0.00000823976634
                   +0 :              -0.00000241650818
                   +1 :               0.00001129751640
                   +2 :              -0.00000977123154
             12 vec=    -2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000603053331
                2s
                   +0 :              -0.00003244427163
                3s
                   +0 :               0.00004749347968
                2p
                   -1 :              -0.00015540877881
                   +0 :              -0.00013121102110
                   +1 :              -0.00004286818912
                3p
                   -1 :               0.00010381264209
                   +0 :               0.00010680433722
                   +1 :              -0.00001824132034
                3d
                   -2 :               0.00000955296200
                   -1 :               0.00000160744991
                   +0 :               0.00000281269843
                   +1 :              -0.00000803653441
                   +2 :               0.00000295557336
             13 vec=   -10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001230279837
                2s
                   +0 :              -0.00020516079028
                3s
                   +0 :              -0.00001016264313
                2p
                   -1 :              -0.00001919518335
                   +0 :               0.00005771813461
                   +1 :               0.00028063765747
                3p
                   -1 :              -0.00003049281927
                   +0 :               0.00005088671149
                   +1 :              -0.00008575324381
                3d
                   -2 :               0.00000609793294
                   -1 :              -0.00000469196981
                   +0 :              -0.00001140094843
                   +1 :              -0.00000041405268
                   +2 :              -0.00000784086813
             14 vec=   -10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002214722229
                2s
                   +0 :              -0.00019422006706
                3s
                   +0 :               0.00002437302198
                2p
                   -1 :               0.00003824495972
                   +0 :              -0.00005416419876
                   +1 :               0.00000333650026
                3p
                   -1 :              -0.00001726885151
                   +0 :              -0.00002758751472
                   +1 :               0.00005861676930
                3d
                   -2 :              -0.00000182339530
                   -1 :              -0.00000362825665
                   +0 :               0.00000010046915
                   +1 :               0.00000860882062
                   +2 :              -0.00000809369662
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 19)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00014401759010
                2s
                   +0 :               0.00101562474092
                3s
                   +0 :              -0.00031497287072
                2p
                   -1 :               0.00005179439114
                   +0 :               0.00098421698627
                   +1 :              -0.00332788786053
                3p
                   -1 :               0.00045272843513
                   +0 :              -0.00059687847893
                   +1 :               0.00225198081711
                3d
                   -2 :               0.00000566855158
                   -1 :              -0.00001482304076
                   +0 :               0.00009297048791
                   +1 :               0.00014197884949
                   +2 :               0.00000379458359
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00018470799788
                2s
                   +0 :              -0.00216528434384
                3s
                   +0 :              -0.00006332900085
                2p
                   -1 :               0.00174539818858
                   +0 :              -0.00305873407349
                   +1 :               0.00051159782591
                3p
                   -1 :               0.00027240123009
                   +0 :               0.00017607966081
                   +1 :              -0.00023651552769
                3d
                   -2 :              -0.00001704844893
                   -1 :               0.00019709519699
                   +0 :              -0.00006705427690
                   +1 :               0.00012555793023
                   +2 :               0.00005118562745
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00028142907677
                2s
                   +0 :               0.00268328822283
                3s
                   +0 :              -0.00004812652657
                2p
                   -1 :               0.00159679906820
                   +0 :               0.00229670039582
                   +1 :              -0.00124737971984
                3p
                   -1 :               0.00021834878550
                   +0 :              -0.00016622813346
                   +1 :               0.00191989465442
                3d
                   -2 :               0.00008263900102
                   -1 :               0.00025618990000
                   +0 :              -0.00003786621823
                   +1 :               0.00024233843318
                   +2 :               0.00011116726610
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00008325402076
                2s
                   +0 :              -0.00110484043575
                3s
                   +0 :               0.00016169011598
                2p
                   -1 :              -0.00056986638341
                   +0 :               0.00000651904600
                   +1 :               0.00062256959102
                3p
                   -1 :               0.00030331953723
                   +0 :              -0.00021452141671
                   +1 :              -0.00026262688223
                3d
                   -2 :               0.00001263998863
                   -1 :              -0.00002758145975
                   +0 :              -0.00005018017167
                   +1 :               0.00001358389459
                   +2 :               0.00002736546559
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001363602763
                2s
                   +0 :              -0.00020201290399
                3s
                   +0 :              -0.00001744858205
                2p
                   -1 :               0.00038729228781
                   +0 :              -0.00009987401753
                   +1 :              -0.00031695297248
                3p
                   -1 :              -0.00037651271784
                   +0 :               0.00013299243983
                   +1 :               0.00014044915726
                3d
                   -2 :              -0.00004539817481
                   -1 :               0.00000085598126
                   +0 :               0.00001602482082
                   +1 :              -0.00000511349950
                   +2 :               0.00000482447388
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00002557335996
                2s
                   +0 :               0.00071807795012
                3s
                   +0 :              -0.00000921147430
                2p
                   -1 :              -0.00065110717646
                   +0 :               0.00031355700122
                   +1 :               0.00036944417870
                3p
                   -1 :               0.00024948446658
                   +0 :              -0.00036562930283
                   +1 :              -0.00022335977571
                3d
                   -2 :              -0.00001654336487
                   -1 :               0.00001804359634
                   +0 :              -0.00002048207787
                   +1 :              -0.00002434411062
                   +2 :              -0.00000945778920
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001546195573
                2s
                   +0 :               0.00000381591342
                3s
                   +0 :              -0.00008937576458
                2p
                   -1 :               0.00006760024797
                   +0 :              -0.00023091560467
                   +1 :               0.00008952497976
                3p
                   -1 :              -0.00008969457121
                   +0 :               0.00019911161764
                   +1 :               0.00000878046302
                3d
                   -2 :               0.00001259597285
                   -1 :              -0.00001305432616
                   +0 :               0.00002158573223
                   +1 :              -0.00000574123579
                   +2 :               0.00001292198423
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000940546965
                2s
                   +0 :              -0.00017571098502
                3s
                   +0 :              -0.00000497288806
                2p
                   -1 :              -0.00002553262731
                   +0 :              -0.00006876316067
                   +1 :              -0.00025286191421
                3p
                   -1 :              -0.00006544207825
                   +0 :              -0.00002476631009
                   +1 :               0.00020863158707
                3d
                   -2 :               0.00000672223727
                   -1 :              -0.00000489440208
                   +0 :              -0.00000547720307
                   +1 :              -0.00000732954411
                   +2 :              -0.00000277470461
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00003405997524
                2s
                   +0 :              -0.00026429058841
                3s
                   +0 :               0.00001658102107
                2p
                   -1 :               0.00009582224881
                   +0 :              -0.00001602472516
                   +1 :               0.00031224658863
                3p
                   -1 :              -0.00003907143338
                   +0 :              -0.00005425888107
                   +1 :              -0.00022964704895
                3d
                   -2 :               0.00000814151348
                   -1 :               0.00000463549618
                   +0 :              -0.00001768729690
                   +1 :               0.00000448445706
                   +2 :              -0.00000078791411
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001545720069
                2s
                   +0 :              -0.00007430086893
                3s
                   +0 :               0.00005681878547
                2p
                   -1 :               0.00002533866327
                   +0 :              -0.00004097409051
                   +1 :              -0.00016891384122
                3p
                   -1 :              -0.00004268987944
                   +0 :               0.00001319716304
                   +1 :               0.00004375980897
                3d
                   -2 :               0.00000118189555
                   -1 :               0.00000735155855
                   +0 :               0.00000730329486
                   +1 :              -0.00001066805794
                   +2 :              -0.00000745076252
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00002093807217
                2s
                   +0 :               0.00022894105823
                3s
                   +0 :              -0.00003622418858
                2p
                   -1 :               0.00013784555021
                   +0 :               0.00017244663246
                   +1 :              -0.00006220115283
                3p
                   -1 :              -0.00006088870725
                   +0 :              -0.00007938288960
                   +1 :               0.00012182935101
                3d
                   -2 :              -0.00001254825452
                   -1 :               0.00000531994114
                   +0 :              -0.00000614945787
                   +1 :              -0.00000422565867
                   +2 :               0.00000747610897
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000904131375
                2s
                   +0 :               0.00024353080701
                3s
                   +0 :               0.00003802361370
                2p
                   -1 :              -0.00007016089580
                   +0 :               0.00004967175238
                   +1 :               0.00009659664816
                3p
                   -1 :               0.00001742429675
                   +0 :               0.00005213751624
                   +1 :               0.00001215058586
                3d
                   -2 :               0.00000814837313
                   -1 :               0.00000545836517
                   +0 :               0.00000094007635
                   +1 :               0.00001224783688
                   +2 :               0.00000570737263
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001628258179
                2s
                   +0 :              -0.00007911317654
                3s
                   +0 :               0.00008246084759
                2p
                   -1 :               0.00000182387076
                   +0 :               0.00010564488773
                   +1 :               0.00006645216873
                3p
                   -1 :              -0.00003822315975
                   +0 :              -0.00009793572186
                   +1 :              -0.00001758560667
                3d
                   -2 :              -0.00000261539295
                   -1 :               0.00000569290267
                   +0 :               0.00000165694338
                   +1 :              -0.00000085416650
                   +2 :              -0.00000559729975
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001562353222
                2s
                   +0 :              -0.00019498887435
                3s
                   +0 :               0.00002198290625
                2p
                   -1 :              -0.00011067251361
                   +0 :               0.00005409462559
                   +1 :               0.00006987786026
                3p
                   -1 :               0.00003692836462
                   +0 :              -0.00001885920313
                   +1 :              -0.00004189146896
                3d
                   -2 :               0.00000155592940
                   -1 :               0.00000089872615
                   +0 :               0.00000475504535
                   +1 :               0.00000163951369
                   +2 :              -0.00000322577976
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00003097389958
                2s
                   +0 :              -0.00028090170449
                3s
                   +0 :               0.00005862743151
                2p
                   -1 :              -0.00002685569602
                   +0 :               0.00006536732473
                   +1 :              -0.00001671238698
                3p
                   -1 :               0.00005349189327
                   +0 :              -0.00004909127772
                   +1 :               0.00001323254741
                3d
                   -2 :              -0.00000490182864
                   -1 :              -0.00001298060642
                   +0 :              -0.00000130746186
                   +1 :              -0.00000723439578
                   +2 :               0.00000798846538
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 20)  npairs=  14
              1 vec=     0.418832     -0.000150      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00000447432012
                2s
                   +0 :               0.00014331901953
                3s
                   +0 :               0.00015183738907
                2p
                   -1 :               0.00255808706186
                   +0 :               0.00154851008801
                   +1 :              -0.00157960659484
                3p
                   -1 :              -0.00195753294664
                   +0 :              -0.00116765743551
                   +1 :              -0.00022121476512
                3d
                   -2 :              -0.00002824385904
                   -1 :              -0.00010661222035
                   +0 :              -0.00022677121048
                   +1 :              -0.00002096247610
                   +2 :               0.00008211082228
              2 vec=    -7.361331      4.491729      8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00008668494812
                2s
                   +0 :               0.00032175219247
                3s
                   +0 :              -0.00032474499751
                2p
                   -1 :              -0.00080338938578
                   +0 :               0.00041439868908
                   +1 :               0.00091686980043
                3p
                   -1 :               0.00067218599404
                   +0 :              -0.00052304909900
                   +1 :              -0.00091785199277
                3d
                   -2 :              -0.00006921830582
                   -1 :               0.00007741322631
                   +0 :              -0.00005086062891
                   +1 :              -0.00000598184594
                   +2 :               0.00005626978760
              3 vec=    -7.361331     -4.492029      8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00002351801213
                2s
                   +0 :              -0.00044502433189
                3s
                   +0 :              -0.00033770177534
                2p
                   -1 :               0.00012076993730
                   +0 :              -0.00022320924389
                   +1 :              -0.00060771156303
                3p
                   -1 :               0.00022108552793
                   +0 :              -0.00039204358277
                   +1 :               0.00047049975593
                3d
                   -2 :               0.00000395645530
                   -1 :               0.00006640654586
                   +0 :               0.00000743044950
                   +1 :              -0.00001542725490
                   +2 :               0.00003381488405
              4 vec=     0.418832      8.983608      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00008032948358
                2s
                   +0 :              -0.00058262186466
                3s
                   +0 :               0.00001975115301
                2p
                   -1 :              -0.00016661781054
                   +0 :               0.00006316290989
                   +1 :               0.00022336481053
                3p
                   -1 :               0.00026113994977
                   +0 :              -0.00008724855289
                   +1 :              -0.00065365862134
                3d
                   -2 :              -0.00008561269609
                   -1 :              -0.00000168640428
                   +0 :               0.00000206142780
                   +1 :              -0.00004293980332
                   +2 :               0.00003898692167
              5 vec=     0.418832     -8.983908      8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00002467235567
                2s
                   +0 :               0.00009031429268
                3s
                   +0 :               0.00026488277613
                2p
                   -1 :               0.00004295963169
                   +0 :              -0.00044246983396
                   +1 :              -0.00080432879661
                3p
                   -1 :              -0.00036242957033
                   +0 :               0.00040412046192
                   +1 :               0.00029112139388
                3d
                   -2 :               0.00003570638236
                   -1 :              -0.00008410598049
                   +0 :               0.00001085175103
                   +1 :               0.00001073405570
                   +2 :              -0.00007329043163
              6 vec=     8.198995      4.491729      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00004058608368
                2s
                   +0 :               0.00055681142855
                3s
                   +0 :              -0.00009713259077
                2p
                   -1 :               0.00125323776351
                   +0 :               0.00107293031326
                   +1 :               0.00054246374526
                3p
                   -1 :              -0.00078871365976
                   +0 :              -0.00084032498437
                   +1 :              -0.00035893931164
                3d
                   -2 :              -0.00001995834590
                   -1 :              -0.00006085001354
                   +0 :              -0.00001536758489
                   +1 :              -0.00002664723138
                   +2 :               0.00001077998225
              7 vec=     8.198995     -4.492029      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00013274055111
                2s
                   +0 :               0.00145179681350
                3s
                   +0 :              -0.00021932477772
                2p
                   -1 :              -0.00067636315360
                   +0 :               0.00043687914979
                   +1 :               0.00091473952616
                3p
                   -1 :               0.00025428610882
                   +0 :               0.00021055451772
                   +1 :              -0.00043095545411
                3d
                   -2 :               0.00002209160358
                   -1 :              -0.00007824939091
                   +0 :               0.00004725851124
                   +1 :               0.00001403596917
                   +2 :              -0.00001150519407
              8 vec=     0.418832     -0.000150    -16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00004541075555
                2s
                   +0 :              -0.00041728254424
                3s
                   +0 :               0.00012916123268
                2p
                   -1 :               0.00007839081845
                   +0 :               0.00018751521626
                   +1 :               0.00006372682803
                3p
                   -1 :              -0.00007070852332
                   +0 :              -0.00012359604291
                   +1 :              -0.00007266212405
                3d
                   -2 :              -0.00000133568559
                   -1 :               0.00000236814405
                   +0 :               0.00000520326263
                   +1 :               0.00000965639349
                   +2 :               0.00000007532566
              9 vec=   -15.141493     -0.000150      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00001790624502
                2s
                   +0 :              -0.00022029775349
                3s
                   +0 :              -0.00000492942953
                2p
                   -1 :              -0.00010853414697
                   +0 :              -0.00007044067147
                   +1 :               0.00017133326252
                3p
                   -1 :               0.00006346998634
                   +0 :               0.00004382991302
                   +1 :              -0.00002029027467
                3d
                   -2 :              -0.00000209993886
                   -1 :               0.00000305689126
                   +0 :               0.00000527019052
                   +1 :              -0.00000354884431
                   +2 :              -0.00000870054205
             10 vec=    -7.361331     13.475487      8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000608975347
                2s
                   +0 :              -0.00010453592531
                3s
                   +0 :              -0.00000367372655
                2p
                   -1 :               0.00007425720947
                   +0 :               0.00001501050758
                   +1 :               0.00008650784555
                3p
                   -1 :              -0.00012444962036
                   +0 :              -0.00000620158019
                   +1 :              -0.00005170601382
                3d
                   -2 :               0.00000429639333
                   -1 :               0.00000286901883
                   +0 :               0.00000477975769
                   +1 :              -0.00000176220455
                   +2 :               0.00000370754504
             11 vec=    -7.361331    -13.475787      8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00003286329339
                2s
                   +0 :              -0.00026159835026
                3s
                   +0 :               0.00008810769340
                2p
                   -1 :               0.00021473197651
                   +0 :              -0.00008373938606
                   +1 :               0.00008140773707
                3p
                   -1 :              -0.00010999362559
                   +0 :               0.00003267296050
                   +1 :              -0.00007013776196
                3d
                   -2 :               0.00000296060155
                   -1 :              -0.00000266564687
                   +0 :               0.00000087221830
                   +1 :              -0.00000533466790
                   +2 :              -0.00000268917844
             12 vec=     8.198995     13.475487      8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00000850341233
                2s
                   +0 :              -0.00007183703057
                3s
                   +0 :               0.00003394077985
                2p
                   -1 :               0.00000501353111
                   +0 :               0.00003140331632
                   +1 :              -0.00001911806932
                3p
                   -1 :              -0.00000558672986
                   +0 :              -0.00001981558151
                   +1 :               0.00000982323404
                3d
                   -2 :               0.00000334673881
                   -1 :               0.00000182033820
                   +0 :              -0.00000390659718
                   +1 :               0.00000268488192
                   +2 :               0.00000133045461
             13 vec=     8.198995    -13.475787      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001574994328
                2s
                   +0 :               0.00019198049476
                3s
                   +0 :               0.00000026809341
                2p
                   -1 :               0.00001026188689
                   +0 :               0.00006194779012
                   +1 :               0.00005429978713
                3p
                   -1 :              -0.00010873244017
                   +0 :              -0.00000320189623
                   +1 :              -0.00002588979769
                3d
                   -2 :              -0.00000663726024
                   -1 :              -0.00000829195954
                   +0 :               0.00000489464786
                   +1 :              -0.00000178353470
                   +2 :              -0.00000754639598
             14 vec=    15.979157     -0.000150      8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00003158915623
                2s
                   +0 :               0.00030423527482
                3s
                   +0 :              -0.00006638423243
                2p
                   -1 :               0.00007092123465
                   +0 :               0.00005248843774
                   +1 :               0.00015627490314
                3p
                   -1 :              -0.00002209961055
                   +0 :              -0.00000996998514
                   +1 :              -0.00003491608441
                3d
                   -2 :               0.00000300829120
                   -1 :               0.00000022285363
                   +0 :               0.00000243422646
                   +1 :              -0.00000227452324
                   +2 :               0.00000020952379
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 21)  npairs=  15
              1 vec=    -4.977229     -0.362644      8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00017410680821
                2s
                   +0 :              -0.00133686257476
                3s
                   +0 :               0.00008637056742
                2p
                   -1 :               0.00102287935609
                   +0 :              -0.00173521751361
                   +1 :              -0.00090516107468
                3p
                   -1 :              -0.00150935590946
                   +0 :               0.00049236669256
                   +1 :               0.00117155179378
                3d
                   -2 :               0.00004774728732
                   -1 :              -0.00015884902842
                   +0 :               0.00001707621725
                   +1 :               0.00009984131377
                   +2 :              -0.00006919007237
              2 vec=     2.802933      4.129235      8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00040876017959
                2s
                   +0 :              -0.00263192466873
                3s
                   +0 :               0.00117813925030
                2p
                   -1 :              -0.00150961574075
                   +0 :              -0.00166880141858
                   +1 :               0.00055868344245
                3p
                   -1 :               0.00070282874238
                   +0 :               0.00078935670495
                   +1 :              -0.00065563326331
                3d
                   -2 :              -0.00014884365302
                   -1 :              -0.00002415766457
                   +0 :              -0.00009789499614
                   +1 :              -0.00001948805946
                   +2 :              -0.00017764940723
              3 vec=     2.802933     -4.854523      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00060679447118
                2s
                   +0 :               0.00547590794375
                3s
                   +0 :              -0.00106858859688
                2p
                   -1 :              -0.00346821220952
                   +0 :               0.00267405916312
                   +1 :               0.00083945950198
                3p
                   -1 :               0.00111773513358
                   +0 :              -0.00002503185743
                   +1 :              -0.00110301878679
                3d
                   -2 :               0.00007390241515
                   -1 :              -0.00007205034264
                   +0 :               0.00015680144800
                   +1 :              -0.00015790443196
                   +2 :              -0.00007019781015
              4 vec=    -4.977229      8.621114      8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00013764765885
                2s
                   +0 :              -0.00126790901771
                3s
                   +0 :               0.00033709529051
                2p
                   -1 :               0.00028468681605
                   +0 :              -0.00039614739518
                   +1 :               0.00074627730937
                3p
                   -1 :              -0.00023808193251
                   +0 :              -0.00004158089843
                   +1 :              -0.00037628035693
                3d
                   -2 :              -0.00004524850614
                   -1 :              -0.00001711862313
                   +0 :              -0.00004158432042
                   +1 :              -0.00000062321439
                   +2 :              -0.00001763512676
              5 vec=    -4.977229     -9.346402      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00001600073520
                2s
                   +0 :              -0.00022168544282
                3s
                   +0 :              -0.00005339491845
                2p
                   -1 :              -0.00016100878914
                   +0 :               0.00021537757390
                   +1 :               0.00005904930817
                3p
                   -1 :               0.00036906150161
                   +0 :              -0.00015642431395
                   +1 :              -0.00010996220559
                3d
                   -2 :               0.00000282396278
                   -1 :               0.00001019250510
                   +0 :              -0.00002451193470
                   +1 :              -0.00004340589203
                   +2 :               0.00003935199343
              6 vec=    10.583096     -0.362644      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00009041460343
                2s
                   +0 :               0.00124305899289
                3s
                   +0 :              -0.00021100974765
                2p
                   -1 :              -0.00004203071623
                   +0 :               0.00053554394224
                   +1 :               0.00036609767793
                3p
                   -1 :               0.00012016707489
                   +0 :              -0.00016616685859
                   +1 :               0.00003243128902
                3d
                   -2 :               0.00004845879151
                   -1 :               0.00000237061411
                   +0 :               0.00000380814574
                   +1 :              -0.00002399681349
                   +2 :               0.00000795649714
              7 vec=   -12.757392      4.129235      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00001741681548
                2s
                   +0 :              -0.00018632253017
                3s
                   +0 :               0.00000260236253
                2p
                   -1 :              -0.00015226568606
                   +0 :               0.00006101598025
                   +1 :              -0.00002345425528
                3p
                   -1 :               0.00003728712399
                   +0 :              -0.00011533323284
                   +1 :               0.00010127639325
                3d
                   -2 :              -0.00001530177989
                   -1 :               0.00002049859726
                   +0 :               0.00000431378818
                   +1 :               0.00001368961690
                   +2 :              -0.00000606697141
              8 vec=     2.802933     13.112993      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00003881890911
                2s
                   +0 :              -0.00032885762927
                3s
                   +0 :               0.00012016327268
                2p
                   -1 :              -0.00015426939123
                   +0 :               0.00003154944473
                   +1 :               0.00002016126239
                3p
                   -1 :               0.00007854734224
                   +0 :               0.00001795927209
                   +1 :              -0.00007777078149
                3d
                   -2 :              -0.00000782673075
                   -1 :               0.00000670414563
                   +0 :               0.00000147786050
                   +1 :              -0.00001219996524
                   +2 :              -0.00000203114260
              9 vec=   -12.757392     -4.854523      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00003129918510
                2s
                   +0 :              -0.00029928617536
                3s
                   +0 :               0.00002817433832
                2p
                   -1 :               0.00025655272517
                   +0 :              -0.00003514969067
                   +1 :               0.00013496692965
                3p
                   -1 :              -0.00015886628456
                   +0 :              -0.00008127918755
                   +1 :              -0.00003558192692
                3d
                   -2 :               0.00001286486220
                   -1 :              -0.00000596056141
                   +0 :              -0.00000725395505
                   +1 :               0.00002230185322
                   +2 :               0.00000218392774
             10 vec=    10.583096      8.621114      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00005413091987
                2s
                   +0 :              -0.00027699600460
                3s
                   +0 :               0.00019842399632
                2p
                   -1 :              -0.00002907087290
                   +0 :              -0.00002553314030
                   +1 :              -0.00015700150264
                3p
                   -1 :               0.00010835737234
                   +0 :               0.00003679564978
                   +1 :               0.00014346474706
                3d
                   -2 :               0.00001182279285
                   -1 :              -0.00000633890139
                   +0 :               0.00000650111757
                   +1 :               0.00000165366321
                   +2 :              -0.00000878458568
             11 vec=     2.802933    -13.838281      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00004083124359
                2s
                   +0 :               0.00029674788116
                3s
                   +0 :              -0.00009307187207
                2p
                   -1 :              -0.00007426551362
                   +0 :               0.00001775936319
                   +1 :               0.00004036629803
                3p
                   -1 :              -0.00000009213936
                   +0 :               0.00001228257827
                   +1 :              -0.00005899108674
                3d
                   -2 :               0.00000352808523
                   -1 :               0.00000240482432
                   +0 :               0.00000308261861
                   +1 :              -0.00000038895931
                   +2 :               0.00000175255618
             12 vec=    10.583096     -9.346402      8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00002464040741
                2s
                   +0 :               0.00031113896343
                3s
                   +0 :              -0.00002976629239
                2p
                   -1 :              -0.00012117895615
                   +0 :               0.00016071041109
                   +1 :               0.00009483808580
                3p
                   -1 :               0.00000581397395
                   +0 :              -0.00007504300986
                   +1 :               0.00001946615768
                3d
                   -2 :              -0.00000143888996
                   -1 :               0.00000631604159
                   +0 :              -0.00001349952491
                   +1 :              -0.00000528428199
                   +2 :               0.00000071355241
             13 vec=    -4.977229     -0.362644    -16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00001441904486
                2s
                   +0 :               0.00009540545045
                3s
                   +0 :              -0.00002234000754
                2p
                   -1 :              -0.00002920790823
                   +0 :              -0.00005651246418
                   +1 :               0.00000870871549
                3p
                   -1 :              -0.00002784228610
                   +0 :               0.00000731639006
                   +1 :               0.00002563970218
                3d
                   -2 :               0.00000027874006
                   -1 :               0.00000669198365
                   +0 :               0.00001006307050
                   +1 :               0.00000358025197
                   +2 :              -0.00000199140090
             14 vec=     2.802933      4.129235    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00001936440786
                2s
                   +0 :              -0.00018273708551
                3s
                   +0 :               0.00002965034277
                2p
                   -1 :               0.00004540414544
                   +0 :               0.00001517507703
                   +1 :               0.00002911219319
                3p
                   -1 :              -0.00001236172460
                   +0 :              -0.00001407373614
                   +1 :              -0.00002200245534
                3d
                   -2 :               0.00000037059753
                   -1 :              -0.00000181354806
                   +0 :               0.00000399996627
                   +1 :               0.00000359980968
                   +2 :               0.00000382704512
             15 vec=     2.802933     -4.854523    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00002010919967
                2s
                   +0 :              -0.00028629407658
                3s
                   +0 :               0.00000846524866
                2p
                   -1 :              -0.00006651954636
                   +0 :               0.00004273778046
                   +1 :              -0.00021706918489
                3p
                   -1 :              -0.00000666796521
                   +0 :               0.00008675062472
                   +1 :               0.00009306051770
                3d
                   -2 :              -0.00000518083753
                   -1 :               0.00001284382309
                   +0 :              -0.00000876915797
                   +1 :               0.00000993483874
                   +2 :              -0.00000123251545
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 22)  npairs=  14
              1 vec=     0.419351      2.752474     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00085431324947
                2s
                   +0 :               0.00556018316658
                3s
                   +0 :               0.00166095726090
                2p
                   -1 :               0.00218036694032
                   +0 :              -0.00646116405135
                   +1 :              -0.00369577512650
                3p
                   -1 :               0.00108988311210
                   +0 :              -0.00255950221621
                   +1 :              -0.00214259352412
                3d
                   -2 :              -0.00158021167056
                   -1 :              -0.00013187724076
                   +0 :               0.00110399333239
                   +1 :               0.00256777419549
                   +2 :              -0.00045468686450
              2 vec=     0.419351     -6.231284     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00058188655768
                2s
                   +0 :              -0.00501251648961
                3s
                   +0 :               0.00155011807319
                2p
                   -1 :               0.00153489733317
                   +0 :               0.00042026795465
                   +1 :              -0.00143451780053
                3p
                   -1 :              -0.00030503930430
                   +0 :              -0.00050883590559
                   +1 :               0.00014163171945
                3d
                   -2 :               0.00002526457913
                   -1 :              -0.00007530335682
                   +0 :               0.00003214953872
                   +1 :              -0.00002709040522
                   +2 :               0.00002924139811
              3 vec=    -7.360812     -1.739405     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00016447953413
                2s
                   +0 :              -0.00096588493376
                3s
                   +0 :              -0.00044519904796
                2p
                   -1 :               0.00168768994624
                   +0 :               0.00072768458753
                   +1 :               0.00229127489071
                3p
                   -1 :              -0.00049755040742
                   +0 :               0.00135023566397
                   +1 :               0.00011085986131
                3d
                   -2 :              -0.00003522460739
                   -1 :              -0.00018794664460
                   +0 :              -0.00015611092634
                   +1 :               0.00001458502153
                   +2 :               0.00001423960756
              4 vec=     8.199513     -1.739405     -4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00066026536741
                2s
                   +0 :               0.00417905190100
                3s
                   +0 :              -0.00142711897148
                2p
                   -1 :               0.00135527734216
                   +0 :              -0.00092803091199
                   +1 :              -0.00094546897617
                3p
                   -1 :              -0.00175068339762
                   +0 :              -0.00090415057139
                   +1 :               0.00155903529349
                3d
                   -2 :              -0.00009303214802
                   -1 :               0.00013708862772
                   +0 :               0.00021474700232
                   +1 :               0.00008675414835
                   +2 :              -0.00000582486465
              5 vec=    -7.360812      7.244353     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00047697321836
                2s
                   +0 :               0.00499042550867
                3s
                   +0 :              -0.00033205980112
                2p
                   -1 :              -0.00113671821955
                   +0 :               0.00049662955621
                   +1 :              -0.00061579865794
                3p
                   -1 :               0.00231098410286
                   +0 :               0.00009239612662
                   +1 :               0.00032734191395
                3d
                   -2 :              -0.00021112520928
                   -1 :               0.00018607918400
                   +0 :              -0.00032866356457
                   +1 :              -0.00004619556658
                   +2 :              -0.00029485032274
              6 vec=     8.199513      7.244353     -4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00010742056766
                2s
                   +0 :              -0.00083717602294
                3s
                   +0 :               0.00023282509998
                2p
                   -1 :               0.00094549295189
                   +0 :               0.00085410421199
                   +1 :              -0.00217781048977
                3p
                   -1 :              -0.00139455863354
                   +0 :              -0.00112018450558
                   +1 :               0.00182055642617
                3d
                   -2 :              -0.00002192262590
                   -1 :              -0.00011812130404
                   +0 :              -0.00001368904358
                   +1 :              -0.00013840597245
                   +2 :               0.00019924592613
              7 vec=     0.419351     11.736232     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00008906443647
                2s
                   +0 :              -0.00088310970686
                3s
                   +0 :               0.00018170705582
                2p
                   -1 :              -0.00011199107429
                   +0 :               0.00068076288381
                   +1 :               0.00067048526151
                3p
                   -1 :              -0.00006352514419
                   +0 :              -0.00016926470603
                   +1 :              -0.00022251435589
                3d
                   -2 :               0.00002448129933
                   -1 :               0.00002585527730
                   +0 :               0.00000215345745
                   +1 :              -0.00001812629018
                   +2 :               0.00002696732938
              8 vec=    -7.360812    -10.723163     -4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00010618086688
                2s
                   +0 :              -0.00118555667145
                3s
                   +0 :               0.00008043295293
                2p
                   -1 :               0.00089778879347
                   +0 :              -0.00010715749452
                   +1 :               0.00016607539358
                3p
                   -1 :              -0.00019192033570
                   +0 :               0.00029190112953
                   +1 :               0.00008899983822
                3d
                   -2 :              -0.00003162747128
                   -1 :              -0.00003457648355
                   +0 :               0.00000161130319
                   +1 :              -0.00001730237011
                   +2 :               0.00003214444022
              9 vec=     8.199513    -10.723163     -4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00000027060178
                2s
                   +0 :               0.00009272981933
                3s
                   +0 :               0.00002099839824
                2p
                   -1 :               0.00009661591857
                   +0 :              -0.00028998285089
                   +1 :              -0.00003237803977
                3p
                   -1 :              -0.00003796374319
                   +0 :               0.00008641655309
                   +1 :               0.00005368409485
                3d
                   -2 :               0.00001105248515
                   -1 :              -0.00001080387164
                   +0 :               0.00000444567793
                   +1 :              -0.00001829990753
                   +2 :              -0.00000729647474
             10 vec=     0.419351    -15.215042     -4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000552025700
                2s
                   +0 :              -0.00000836890478
                3s
                   +0 :              -0.00002610029310
                2p
                   -1 :               0.00007303151825
                   +0 :              -0.00004870478367
                   +1 :               0.00001332832168
                3p
                   -1 :              -0.00002949174749
                   +0 :               0.00000643435682
                   +1 :              -0.00000611471610
                3d
                   -2 :              -0.00000132153736
                   -1 :               0.00000296679708
                   +0 :              -0.00000103295303
                   +1 :               0.00000163433370
                   +2 :              -0.00000331226215
             11 vec=   -15.140975      2.752474     -4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00009851718451
                2s
                   +0 :               0.00111881205030
                3s
                   +0 :              -0.00015127018540
                2p
                   -1 :              -0.00001794046705
                   +0 :               0.00008322707736
                   +1 :              -0.00091531404052
                3p
                   -1 :              -0.00005719067975
                   +0 :              -0.00002736594965
                   +1 :               0.00020905357333
                3d
                   -2 :              -0.00000328183607
                   -1 :               0.00000247528847
                   +0 :              -0.00000031133005
                   +1 :               0.00002648245666
                   +2 :               0.00003191797112
             12 vec=    15.979676      2.752474     -4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00002454390840
                2s
                   +0 :              -0.00024198528063
                3s
                   +0 :              -0.00000535639202
                2p
                   -1 :               0.00000241230762
                   +0 :              -0.00002663075167
                   +1 :              -0.00022254732781
                3p
                   -1 :               0.00000212943383
                   +0 :              -0.00012746793825
                   +1 :              -0.00006807286518
                3d
                   -2 :              -0.00001414660468
                   -1 :              -0.00001784618852
                   +0 :               0.00003025939382
                   +1 :               0.00000387678694
                   +2 :              -0.00003341366885
             13 vec=   -15.140975     -6.231284     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00003851369679
                2s
                   +0 :              -0.00026961761570
                3s
                   +0 :               0.00010384813786
                2p
                   -1 :              -0.00019826600940
                   +0 :              -0.00001371468564
                   +1 :               0.00033005443295
                3p
                   -1 :               0.00008816644654
                   +0 :               0.00003938629648
                   +1 :              -0.00014451022844
                3d
                   -2 :              -0.00000572619235
                   -1 :              -0.00000030741366
                   +0 :               0.00000154824674
                   +1 :              -0.00000689089466
                   +2 :              -0.00000041747742
             14 vec=    15.979676     -6.231284     -4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00002149310324
                2s
                   +0 :               0.00017222360994
                3s
                   +0 :              -0.00003919485769
                2p
                   -1 :               0.00002478471647
                   +0 :              -0.00001509044446
                   +1 :               0.00001921622464
                3p
                   -1 :              -0.00005905711222
                   +0 :              -0.00002404179340
                   +1 :               0.00003485036076
                3d
                   -2 :              -0.00001054653139
                   -1 :               0.00000643640224
                   +0 :              -0.00000431287035
                   +1 :               0.00000166490081
                   +2 :              -0.00001299720986
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 23)  npairs=  14
              1 vec=    -2.593647     -1.739405     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00191148075139
                2s
                   +0 :              -0.03261829156181
                3s
                   +0 :               0.00245019241207
                2p
                   -1 :               0.00403503294350
                   +0 :               0.01677824818350
                   +1 :               0.00568966616797
                3p
                   -1 :               0.00028087414545
                   +0 :              -0.00275529694983
                   +1 :              -0.00057766731588
                3d
                   -2 :              -0.00031541073353
                   -1 :              -0.00137907182965
                   +0 :              -0.00009246347988
                   +1 :              -0.00112397262978
                   +2 :               0.00061713428454
              2 vec=     5.186516      2.752474     -4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00144089952315
                2s
                   +0 :               0.01139515405927
                3s
                   +0 :              -0.00610337405253
                2p
                   -1 :               0.00315732719658
                   +0 :              -0.01434894142973
                   +1 :               0.01273487679585
                3p
                   -1 :              -0.00075575004008
                   +0 :               0.00911465280188
                   +1 :              -0.01016329432483
                3d
                   -2 :              -0.00062102577454
                   -1 :               0.00062609401888
                   +0 :              -0.00032575092950
                   +1 :               0.00092152509657
                   +2 :              -0.00035141505860
              3 vec=    -2.593647      7.244353     -4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00028582261702
                2s
                   +0 :              -0.00192260129626
                3s
                   +0 :               0.00108084989369
                2p
                   -1 :              -0.00125769751321
                   +0 :               0.00268839460956
                   +1 :              -0.00253398347703
                3p
                   -1 :               0.00072624610821
                   +0 :              -0.00043289348653
                   +1 :               0.00179042982091
                3d
                   -2 :               0.00016619315194
                   -1 :              -0.00000452237862
                   +0 :              -0.00018885122446
                   +1 :               0.00005381641676
                   +2 :              -0.00002131805589
              4 vec=     5.186516     -6.231284     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00015517721040
                2s
                   +0 :               0.00079798710289
                3s
                   +0 :              -0.00005797649567
                2p
                   -1 :              -0.00097352470683
                   +0 :              -0.00232788492956
                   +1 :              -0.00008544044786
                3p
                   -1 :               0.00058088245286
                   +0 :               0.00050105174572
                   +1 :               0.00015712079519
                3d
                   -2 :              -0.00010060816349
                   -1 :              -0.00009292475109
                   +0 :               0.00024002184408
                   +1 :              -0.00000450876607
                   +2 :               0.00012648284727
              5 vec=   -10.373810      2.752474     -4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00063370824656
                2s
                   +0 :               0.00562551764052
                3s
                   +0 :              -0.00136726041965
                2p
                   -1 :              -0.00047057416596
                   +0 :               0.00071880229713
                   +1 :              -0.00250893650197
                3p
                   -1 :              -0.00027458648120
                   +0 :               0.00003232111336
                   +1 :               0.00080962395817
                3d
                   -2 :               0.00007960612038
                   -1 :              -0.00009370089836
                   +0 :              -0.00012998315170
                   +1 :              -0.00001540268168
                   +2 :               0.00018088043655
              6 vec=    -2.593647    -10.723163     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00004203214716
                2s
                   +0 :              -0.00032911262968
                3s
                   +0 :               0.00012680736262
                2p
                   -1 :               0.00015337435492
                   +0 :               0.00025469634870
                   +1 :               0.00009096954532
                3p
                   -1 :              -0.00015732607641
                   +0 :              -0.00001920477125
                   +1 :              -0.00019466662387
                3d
                   -2 :               0.00001744296688
                   -1 :              -0.00001262056355
                   +0 :              -0.00002715352321
                   +1 :              -0.00000266659844
                   +2 :              -0.00005252307528
              7 vec=   -10.373810     -6.231284     -4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00011530704822
                2s
                   +0 :              -0.00130084208117
                3s
                   +0 :               0.00016335864385
                2p
                   -1 :              -0.00044400279775
                   +0 :               0.00010494726612
                   +1 :              -0.00009294623039
                3p
                   -1 :               0.00027995819494
                   +0 :               0.00008572520813
                   +1 :               0.00056104599074
                3d
                   -2 :              -0.00002849942979
                   -1 :               0.00002029915022
                   +0 :              -0.00002127490865
                   +1 :              -0.00002761239583
                   +2 :              -0.00005009335339
              8 vec=     5.186516     11.736232     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00003379786243
                2s
                   +0 :              -0.00033272535291
                3s
                   +0 :               0.00010646209895
                2p
                   -1 :              -0.00049613384861
                   +0 :              -0.00006982771772
                   +1 :              -0.00010020882890
                3p
                   -1 :               0.00036677283426
                   +0 :              -0.00013027519330
                   +1 :              -0.00014238244249
                3d
                   -2 :              -0.00006929091495
                   -1 :              -0.00002792899861
                   +0 :               0.00000402341933
                   +1 :               0.00002337930432
                   +2 :               0.00000351158371
              9 vec=    12.966678     -1.739405     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00006204997623
                2s
                   +0 :               0.00081754689104
                3s
                   +0 :              -0.00015822757515
                2p
                   -1 :              -0.00024940062098
                   +0 :              -0.00004534488770
                   +1 :               0.00119298633693
                3p
                   -1 :               0.00007365772660
                   +0 :              -0.00008896892792
                   +1 :              -0.00100739445194
                3d
                   -2 :              -0.00004309897846
                   -1 :              -0.00000706537677
                   +0 :               0.00003783109072
                   +1 :              -0.00000742592481
                   +2 :              -0.00007801128718
             10 vec=    12.966678      7.244353     -4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00003868174428
                2s
                   +0 :               0.00020778151385
                3s
                   +0 :              -0.00014270540033
                2p
                   -1 :               0.00013257726523
                   +0 :               0.00008329774957
                   +1 :               0.00022008539066
                3p
                   -1 :               0.00001093044284
                   +0 :              -0.00011305663302
                   +1 :              -0.00017082645875
                3d
                   -2 :               0.00000822014495
                   -1 :               0.00000779268096
                   +0 :               0.00002556704121
                   +1 :              -0.00001368812941
                   +2 :              -0.00001773065398
             11 vec=   -10.373810     11.736232     -4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00015073804148
                2s
                   +0 :               0.00146887639976
                3s
                   +0 :              -0.00025617393718
                2p
                   -1 :               0.00082415907634
                   +0 :               0.00028081724201
                   +1 :              -0.00105416980621
                3p
                   -1 :              -0.00016527133129
                   +0 :              -0.00011703117856
                   +1 :               0.00050952814740
                3d
                   -2 :              -0.00001989933869
                   -1 :              -0.00003041500116
                   +0 :               0.00001215068941
                   +1 :              -0.00000692438684
                   +2 :              -0.00001042157532
             12 vec=     5.186516    -15.215042     -4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00002037842711
                2s
                   +0 :              -0.00022094459744
                3s
                   +0 :               0.00000177933038
                2p
                   -1 :               0.00020518451392
                   +0 :              -0.00000384381804
                   +1 :               0.00003522100769
                3p
                   -1 :               0.00001027462851
                   +0 :              -0.00008591082818
                   +1 :              -0.00008725662987
                3d
                   -2 :               0.00001029353164
                   -1 :              -0.00000068616203
                   +0 :               0.00001985583317
                   +1 :               0.00000050384871
                   +2 :               0.00002627601523
             13 vec=    -2.593647     16.228111     -4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00000221089046
                2s
                   +0 :               0.00006635127425
                3s
                   +0 :               0.00003203737157
                2p
                   -1 :               0.00011219111282
                   +0 :              -0.00000213530126
                   +1 :               0.00015148834999
                3p
                   -1 :              -0.00001181388079
                   +0 :              -0.00001975395536
                   +1 :              -0.00003526417778
                3d
                   -2 :               0.00000696015698
                   -1 :              -0.00000852630533
                   +0 :              -0.00000042343953
                   +1 :               0.00000620663889
                   +2 :              -0.00000527832741
             14 vec=    12.966678    -10.723163     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000371323930
                2s
                   +0 :               0.00003951652547
                3s
                   +0 :               0.00000343100222
                2p
                   -1 :              -0.00001964517442
                   +0 :              -0.00004998224908
                   +1 :               0.00001351541010
                3p
                   -1 :              -0.00000493162166
                   +0 :               0.00000504783679
                   +1 :               0.00000377722693
                3d
                   -2 :              -0.00000842623289
                   -1 :              -0.00000234886945
                   +0 :              -0.00000197315420
                   +1 :               0.00000383925818
                   +2 :              -0.00000434470147
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 24)  npairs=  14
              1 vec=     2.802933     -1.376012     -4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00016926541420
                2s
                   +0 :               0.03106515590702
                3s
                   +0 :               0.00154488976821
                2p
                   -1 :              -0.01005871804336
                   +0 :              -0.02160229194839
                   +1 :               0.00677566803910
                3p
                   -1 :               0.00084245041926
                   +0 :              -0.00288371163118
                   +1 :              -0.00082340499409
                3d
                   -2 :              -0.00036722459270
                   -1 :               0.00104943286328
                   +0 :               0.00193524258079
                   +1 :              -0.00125535267342
                   +2 :               0.00005461603893
              2 vec=    -4.977229      3.115867     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00016199374001
                2s
                   +0 :              -0.00346894923114
                3s
                   +0 :               0.00236335978440
                2p
                   -1 :               0.00286080370801
                   +0 :               0.00293929999046
                   +1 :               0.00102816082797
                3p
                   -1 :              -0.00448869452593
                   +0 :               0.00361650234786
                   +1 :              -0.00155382462946
                3d
                   -2 :              -0.00136701407141
                   -1 :               0.00023016482134
                   +0 :              -0.00131478284170
                   +1 :              -0.00000749902610
                   +2 :               0.00122338344223
              3 vec=    -4.977229     -5.867891     -4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00008791869708
                2s
                   +0 :              -0.00106457837194
                3s
                   +0 :              -0.00050245905150
                2p
                   -1 :               0.00140492475796
                   +0 :              -0.00247063172443
                   +1 :               0.00112524808306
                3p
                   -1 :              -0.00013318201578
                   +0 :               0.00082289046987
                   +1 :              -0.00038931008286
                3d
                   -2 :              -0.00005349692245
                   -1 :               0.00004760693607
                   +0 :               0.00016873038545
                   +1 :               0.00022129042119
                   +2 :               0.00001674977685
              4 vec=     2.802933      7.607746     -4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00014435376281
                2s
                   +0 :              -0.00170962348328
                3s
                   +0 :               0.00023060286767
                2p
                   -1 :              -0.00165997808388
                   +0 :              -0.00157080849889
                   +1 :              -0.00176145012892
                3p
                   -1 :               0.00077202478319
                   +0 :               0.00034191296688
                   +1 :               0.00096598519098
                3d
                   -2 :               0.00008957034786
                   -1 :              -0.00004287414831
                   +0 :               0.00005001619042
                   +1 :              -0.00007472909672
                   +2 :               0.00020373513050
              5 vec=     2.802933    -10.359770     -4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00001929059100
                2s
                   +0 :              -0.00024825238627
                3s
                   +0 :              -0.00007005216908
                2p
                   -1 :               0.00008782949799
                   +0 :              -0.00046368959502
                   +1 :              -0.00065950172600
                3p
                   -1 :               0.00013102869453
                   +0 :               0.00017819610630
                   +1 :               0.00029859574358
                3d
                   -2 :              -0.00000491749252
                   -1 :              -0.00002857957989
                   +0 :              -0.00003291897444
                   +1 :               0.00001120012434
                   +2 :               0.00001353754277
              6 vec=    10.583096      3.115867     -4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00000130132617
                2s
                   +0 :               0.00007327008958
                3s
                   +0 :               0.00008135187102
                2p
                   -1 :              -0.00002319448289
                   +0 :              -0.00049866639990
                   +1 :              -0.00081362708323
                3p
                   -1 :               0.00016935436094
                   +0 :               0.00017189520696
                   +1 :               0.00071725294709
                3d
                   -2 :               0.00003451769017
                   -1 :               0.00000250396221
                   +0 :               0.00003916787199
                   +1 :               0.00003227908571
                   +2 :               0.00012273827997
              7 vec=    10.583096     -5.867891     -4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00012104443680
                2s
                   +0 :               0.00110110235659
                3s
                   +0 :              -0.00027302784233
                2p
                   -1 :              -0.00100188056423
                   +0 :               0.00070140020824
                   +1 :               0.00020578041504
                3p
                   -1 :               0.00067499722484
                   +0 :              -0.00065991719183
                   +1 :               0.00000717696015
                3d
                   -2 :              -0.00001752165303
                   -1 :               0.00007238117668
                   +0 :               0.00001171015723
                   +1 :              -0.00005097491801
                   +2 :               0.00008950684894
              8 vec=   -12.757392     -1.376012     -4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00003467574760
                2s
                   +0 :               0.00005324412024
                3s
                   +0 :              -0.00018082053327
                2p
                   -1 :              -0.00073559819365
                   +0 :               0.00064704760224
                   +1 :               0.00029600681708
                3p
                   -1 :               0.00020916898713
                   +0 :              -0.00014198249657
                   +1 :              -0.00006354629054
                3d
                   -2 :               0.00001295297824
                   -1 :               0.00000476643220
                   +0 :              -0.00003475249319
                   +1 :              -0.00001859886798
                   +2 :              -0.00005150358117
              9 vec=    -4.977229     12.099625     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00010377619700
                2s
                   +0 :               0.00094290397855
                3s
                   +0 :              -0.00023389366446
                2p
                   -1 :               0.00067640140851
                   +0 :               0.00035204545586
                   +1 :               0.00105122295689
                3p
                   -1 :              -0.00030058650239
                   +0 :              -0.00013099372865
                   +1 :              -0.00042972129594
                3d
                   -2 :               0.00000981484732
                   -1 :               0.00000923446544
                   +0 :               0.00000532887064
                   +1 :               0.00001454350759
                   +2 :              -0.00002812949473
             10 vec=   -12.757392      7.607746     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00004660850185
                2s
                   +0 :               0.00047294432967
                3s
                   +0 :              -0.00001898877823
                2p
                   -1 :               0.00031874709950
                   +0 :               0.00004261088342
                   +1 :              -0.00026532814893
                3p
                   -1 :              -0.00015739665559
                   +0 :               0.00016730555578
                   +1 :              -0.00000670112198
                3d
                   -2 :               0.00001498138334
                   -1 :               0.00001392946277
                   +0 :              -0.00005909361747
                   +1 :              -0.00005830885719
                   +2 :              -0.00000184947101
             11 vec=    -4.977229    -14.851649     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00001143118120
                2s
                   +0 :               0.00001334638214
                3s
                   +0 :              -0.00004374568728
                2p
                   -1 :               0.00004727262874
                   +0 :              -0.00005399218412
                   +1 :              -0.00013156234751
                3p
                   -1 :               0.00002470689246
                   +0 :               0.00003939772179
                   +1 :              -0.00001340266638
                3d
                   -2 :               0.00001257632390
                   -1 :              -0.00000727245099
                   +0 :              -0.00000299009553
                   +1 :               0.00000491622588
                   +2 :              -0.00000067403034
             12 vec=    10.583096     12.099625     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00003416078065
                2s
                   +0 :              -0.00038606164223
                3s
                   +0 :               0.00008257473858
                2p
                   -1 :              -0.00027287980085
                   +0 :               0.00008312472625
                   +1 :              -0.00020135447162
                3p
                   -1 :               0.00018725210753
                   +0 :              -0.00015805517820
                   +1 :               0.00007647692867
                3d
                   -2 :              -0.00000513648453
                   -1 :              -0.00001182715137
                   +0 :              -0.00000708322529
                   +1 :              -0.00000430271503
                   +2 :               0.00000919677554
             13 vec=   -12.757392    -10.359770     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00004937125459
                2s
                   +0 :              -0.00043410354012
                3s
                   +0 :               0.00010502408885
                2p
                   -1 :               0.00024718456811
                   +0 :               0.00009517344259
                   +1 :               0.00015767864910
                3p
                   -1 :              -0.00016266613791
                   +0 :              -0.00005671123748
                   +1 :              -0.00004920962212
                3d
                   -2 :              -0.00000440273698
                   -1 :               0.00000383958544
                   +0 :              -0.00000568231689
                   +1 :               0.00000538968856
                   +2 :              -0.00001250480901
             14 vec=     2.802933     16.591504     -4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00000038987052
                2s
                   +0 :              -0.00001403362197
                3s
                   +0 :              -0.00001146073900
                2p
                   -1 :              -0.00003123113750
                   +0 :               0.00000921608474
                   +1 :              -0.00001513687733
                3p
                   -1 :               0.00001895596757
                   +0 :              -0.00000229906498
                   +1 :               0.00005357467007
                3d
                   -2 :               0.00001072454735
                   -1 :              -0.00000062433877
                   +0 :               0.00000050551346
                   +1 :              -0.00000352590067
                   +2 :              -0.00000262428633
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 25)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00035855512566
                2s
                   +0 :               0.00258593422110
                3s
                   +0 :              -0.00068259973841
                2p
                   -1 :              -0.00282718950960
                   +0 :              -0.00214949892606
                   +1 :               0.00018804924611
                3p
                   -1 :               0.00064416947883
                   +0 :              -0.00014386993087
                   +1 :              -0.00084954455996
                3d
                   -2 :               0.00009293707272
                   -1 :               0.00015364408011
                   +0 :               0.00006683123422
                   +1 :               0.00011836616831
                   +2 :              -0.00011608047305
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00046108034125
                2s
                   +0 :              -0.00508504651711
                3s
                   +0 :               0.00062086795457
                2p
                   -1 :              -0.00017338459501
                   +0 :               0.00072685823834
                   +1 :               0.00089504481149
                3p
                   -1 :              -0.00024609181983
                   +0 :               0.00051512594351
                   +1 :              -0.00087332973863
                3d
                   -2 :              -0.00005501600089
                   -1 :               0.00016626506429
                   +0 :              -0.00021569517500
                   +1 :               0.00000906731220
                   +2 :              -0.00004501949024
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00001647638663
                2s
                   +0 :              -0.00083215393953
                3s
                   +0 :              -0.00000867218018
                2p
                   -1 :              -0.00118441799466
                   +0 :               0.00194405651185
                   +1 :              -0.00069106952026
                3p
                   -1 :              -0.00031875384314
                   +0 :              -0.00104249048044
                   +1 :               0.00064712184595
                3d
                   -2 :               0.00008718641209
                   -1 :               0.00011397513296
                   +0 :               0.00006860494179
                   +1 :              -0.00009152334995
                   +2 :               0.00012913894125
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00000784225006
                2s
                   +0 :               0.00039410225732
                3s
                   +0 :               0.00000316729338
                2p
                   -1 :               0.00082427460280
                   +0 :              -0.00081418488000
                   +1 :               0.00074990677148
                3p
                   -1 :              -0.00058241537746
                   +0 :               0.00065975396773
                   +1 :              -0.00048088333974
                3d
                   -2 :              -0.00005914409401
                   -1 :               0.00001853757915
                   +0 :              -0.00007355735509
                   +1 :               0.00001737171115
                   +2 :              -0.00000966784670
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00002624927011
                2s
                   +0 :              -0.00054820487327
                3s
                   +0 :              -0.00005472570739
                2p
                   -1 :              -0.00000813104866
                   +0 :              -0.00012717070894
                   +1 :              -0.00004886401018
                3p
                   -1 :               0.00012804454791
                   +0 :               0.00006792278265
                   +1 :               0.00008405291741
                3d
                   -2 :               0.00000376940598
                   -1 :              -0.00001828959596
                   +0 :              -0.00000368106262
                   +1 :               0.00002741489514
                   +2 :               0.00002191035515
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00012193536959
                2s
                   +0 :               0.00104157728340
                3s
                   +0 :              -0.00005371084873
                2p
                   -1 :               0.00052029379185
                   +0 :              -0.00035020873928
                   +1 :               0.00063945372587
                3p
                   -1 :              -0.00019612734604
                   +0 :               0.00026943297121
                   +1 :              -0.00037169543916
                3d
                   -2 :              -0.00003735477045
                   -1 :              -0.00001766171515
                   +0 :              -0.00003461467038
                   +1 :              -0.00001599392883
                   +2 :              -0.00003775545071
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00001816057470
                2s
                   +0 :              -0.00012235217761
                3s
                   +0 :               0.00008453806383
                2p
                   -1 :               0.00012079347258
                   +0 :              -0.00001960084993
                   +1 :              -0.00006172075895
                3p
                   -1 :              -0.00011039295321
                   +0 :              -0.00002230004119
                   +1 :               0.00007414919642
                3d
                   -2 :              -0.00000620916946
                   -1 :               0.00000058388362
                   +0 :              -0.00000345698782
                   +1 :               0.00000324853312
                   +2 :              -0.00000280112874
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002151924690
                2s
                   +0 :              -0.00025422154379
                3s
                   +0 :               0.00002885769330
                2p
                   -1 :               0.00015966967326
                   +0 :              -0.00000609593174
                   +1 :              -0.00005376059560
                3p
                   -1 :              -0.00007061712110
                   +0 :               0.00001251616591
                   +1 :               0.00000808108269
                3d
                   -2 :               0.00000357415015
                   -1 :               0.00000271321662
                   +0 :              -0.00000116034160
                   +1 :              -0.00000627039615
                   +2 :              -0.00000112595628
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00003986522262
                2s
                   +0 :               0.00019062495689
                3s
                   +0 :              -0.00017658279934
                2p
                   -1 :               0.00042371917107
                   +0 :              -0.00026947689910
                   +1 :               0.00011096892147
                3p
                   -1 :              -0.00021025166703
                   +0 :               0.00028554560040
                   +1 :              -0.00010361114844
                3d
                   -2 :              -0.00001402281351
                   -1 :               0.00000907795967
                   +0 :              -0.00001007247830
                   +1 :               0.00001430354059
                   +2 :               0.00001400876637
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00000037345799
                2s
                   +0 :              -0.00003941970055
                3s
                   +0 :              -0.00001551943157
                2p
                   -1 :              -0.00012627314272
                   +0 :               0.00001543546627
                   +1 :              -0.00000961104489
                3p
                   -1 :               0.00006844592168
                   +0 :              -0.00002759886552
                   +1 :              -0.00001588175092
                3d
                   -2 :               0.00000742375807
                   -1 :               0.00000277659993
                   +0 :               0.00000502544029
                   +1 :              -0.00000013768114
                   +2 :              -0.00000549164915
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000264771725
                2s
                   +0 :              -0.00005886680501
                3s
                   +0 :               0.00000835041848
                2p
                   -1 :              -0.00024980113206
                   +0 :               0.00032304668721
                   +1 :               0.00005851340325
                3p
                   -1 :               0.00010995992012
                   +0 :              -0.00020107166506
                   +1 :               0.00002899709670
                3d
                   -2 :               0.00000857366194
                   -1 :              -0.00000553506686
                   +0 :              -0.00000053672266
                   +1 :               0.00000201167485
                   +2 :              -0.00000879418195
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00010758311847
                2s
                   +0 :               0.00099409182851
                3s
                   +0 :              -0.00021484392062
                2p
                   -1 :              -0.00000870049226
                   +0 :               0.00021309140887
                   +1 :              -0.00031958479744
                3p
                   -1 :               0.00003579484936
                   +0 :              -0.00019137564870
                   +1 :               0.00014800950389
                3d
                   -2 :               0.00000533175552
                   -1 :              -0.00000717065262
                   +0 :               0.00001571582214
                   +1 :              -0.00000686232243
                   +2 :              -0.00002608273832
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00001641073467
                2s
                   +0 :               0.00010901338368
                3s
                   +0 :              -0.00003968238806
                2p
                   -1 :              -0.00009020151710
                   +0 :               0.00004940370348
                   +1 :              -0.00006236492033
                3p
                   -1 :               0.00007546274379
                   +0 :              -0.00002476481028
                   +1 :               0.00001995276147
                3d
                   -2 :               0.00000299563836
                   -1 :               0.00000240864405
                   +0 :               0.00000256119435
                   +1 :              -0.00000036097621
                   +2 :               0.00000091837422
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00002945950879
                2s
                   +0 :               0.00019842031862
                3s
                   +0 :              -0.00007759221840
                2p
                   -1 :               0.00000604701795
                   +0 :               0.00011531802409
                   +1 :              -0.00007621396040
                3p
                   -1 :               0.00004030859236
                   +0 :              -0.00005137013140
                   +1 :               0.00002919027329
                3d
                   -2 :               0.00000097054513
                   -1 :               0.00000712660761
                   +0 :               0.00000115741861
                   +1 :              -0.00000097306381
                   +2 :              -0.00000592614111
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001490909237
                2s
                   +0 :               0.00009725527761
                3s
                   +0 :              -0.00005547257892
                2p
                   -1 :              -0.00003895395020
                   +0 :               0.00004713500068
                   +1 :               0.00002900196557
                3p
                   -1 :               0.00004202787407
                   +0 :              -0.00003702863115
                   +1 :              -0.00003673937670
                3d
                   -2 :               0.00000084094380
                   -1 :               0.00000215944195
                   +0 :              -0.00000202205146
                   +1 :              -0.00000141544777
                   +2 :              -0.00000337647389
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 26)  npairs=  15
              1 vec=    -2.174037     -4.491729     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00066162579143
                2s
                   +0 :              -0.00663593347882
                3s
                   +0 :               0.00108599756974
                2p
                   -1 :               0.00134641109623
                   +0 :               0.00347152166931
                   +1 :              -0.00067019002761
                3p
                   -1 :               0.00043821890145
                   +0 :              -0.00037236252893
                   +1 :              -0.00006643636871
                3d
                   -2 :               0.00004918535655
                   -1 :              -0.00019850845735
                   +0 :              -0.00015883097116
                   +1 :               0.00008250269548
                   +2 :               0.00012694811871
              2 vec=    -2.174037      4.492029     -8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00018923389317
                2s
                   +0 :               0.00147174751969
                3s
                   +0 :              -0.00017132611441
                2p
                   -1 :               0.00041599093185
                   +0 :               0.00020212612137
                   +1 :              -0.00508275704926
                3p
                   -1 :               0.00094949771814
                   +0 :              -0.00199664212212
                   +1 :               0.00366607307876
                3d
                   -2 :              -0.00010579255834
                   -1 :              -0.00018767501685
                   +0 :               0.00016033470300
                   +1 :              -0.00011929596795
                   +2 :              -0.00008824236573
              3 vec=     5.606126      0.000150     -8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00018363074168
                2s
                   +0 :               0.00136235829618
                3s
                   +0 :              -0.00011282762421
                2p
                   -1 :               0.00228075104942
                   +0 :              -0.00016581385354
                   +1 :               0.00188833806365
                3p
                   -1 :              -0.00115061926542
                   +0 :              -0.00121836085209
                   +1 :              -0.00082707597744
                3d
                   -2 :               0.00011103580554
                   -1 :              -0.00006161786460
                   +0 :               0.00002950416811
                   +1 :               0.00003575320030
                   +2 :              -0.00002949226267
              4 vec=    -9.954199      0.000150     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00005326142916
                2s
                   +0 :              -0.00016722727642
                3s
                   +0 :               0.00029161310107
                2p
                   -1 :              -0.00064229568259
                   +0 :               0.00033873593011
                   +1 :               0.00020114359239
                3p
                   -1 :               0.00012314168815
                   +0 :              -0.00018046274471
                   +1 :              -0.00031578272706
                3d
                   -2 :              -0.00000206782772
                   -1 :              -0.00000050432174
                   +0 :              -0.00003527609254
                   +1 :               0.00007638479849
                   +2 :               0.00004078466501
              5 vec=     5.606126     -8.983608     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00006032002452
                2s
                   +0 :              -0.00015881555346
                3s
                   +0 :               0.00021631502985
                2p
                   -1 :              -0.00020471375984
                   +0 :              -0.00007028053161
                   +1 :               0.00012872582212
                3p
                   -1 :              -0.00006629190230
                   +0 :               0.00003364781858
                   +1 :              -0.00005405764257
                3d
                   -2 :              -0.00002143347712
                   -1 :               0.00001343190569
                   +0 :              -0.00000179551667
                   +1 :              -0.00000649976439
                   +2 :              -0.00001633191390
              6 vec=     5.606126      8.983908     -8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00002761724054
                2s
                   +0 :              -0.00036361912329
                3s
                   +0 :               0.00003769427653
                2p
                   -1 :              -0.00040554587552
                   +0 :               0.00006663106156
                   +1 :              -0.00001032907424
                3p
                   -1 :               0.00024591326186
                   +0 :              -0.00014736068709
                   +1 :              -0.00003846055228
                3d
                   -2 :              -0.00002235253330
                   -1 :              -0.00004006645647
                   +0 :              -0.00001672650484
                   +1 :               0.00002691181018
                   +2 :               0.00001854701382
              7 vec=    -9.954199     -8.983608     -8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00004172004860
                2s
                   +0 :              -0.00049620361166
                3s
                   +0 :               0.00006281601879
                2p
                   -1 :               0.00020282428759
                   +0 :               0.00018718879432
                   +1 :               0.00019915645365
                3p
                   -1 :              -0.00005913325528
                   +0 :              -0.00008907061408
                   +1 :              -0.00004256715774
                3d
                   -2 :              -0.00001261017390
                   -1 :               0.00000043241779
                   +0 :               0.00001668245199
                   +1 :              -0.00000337323721
                   +2 :               0.00000364673007
              8 vec=    -9.954199      8.983908     -8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00006645174373
                2s
                   +0 :               0.00090126906831
                3s
                   +0 :              -0.00000558964747
                2p
                   -1 :              -0.00001717324390
                   +0 :              -0.00037150807669
                   +1 :              -0.00034009155696
                3p
                   -1 :               0.00010930258848
                   +0 :               0.00008710116561
                   +1 :               0.00007849001397
                3d
                   -2 :              -0.00001079923476
                   -1 :               0.00001129507246
                   +0 :               0.00001121205783
                   +1 :               0.00003902117332
                   +2 :               0.00001390017910
              9 vec=    -2.174037    -13.475487     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00000925280579
                2s
                   +0 :              -0.00014489668519
                3s
                   +0 :               0.00000179809036
                2p
                   -1 :               0.00002954540368
                   +0 :              -0.00002339110523
                   +1 :              -0.00007493118822
                3p
                   -1 :               0.00002781962993
                   +0 :               0.00002511001426
                   +1 :               0.00005876826342
                3d
                   -2 :              -0.00000336121220
                   -1 :               0.00000052595231
                   +0 :               0.00000222603962
                   +1 :              -0.00000147374570
                   +2 :               0.00000102808679
             10 vec=    -2.174037     13.475787     -8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00000440527148
                2s
                   +0 :              -0.00002090063610
                3s
                   +0 :               0.00000665945985
                2p
                   -1 :              -0.00013953295903
                   +0 :               0.00000755689284
                   +1 :               0.00008883957218
                3p
                   -1 :               0.00007205239583
                   +0 :               0.00009148525540
                   +1 :               0.00005658338688
                3d
                   -2 :               0.00001029124553
                   -1 :               0.00001198131373
                   +0 :               0.00000104739182
                   +1 :              -0.00001113829512
                   +2 :              -0.00000763797960
             11 vec=    13.386289     -4.491729     -8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00000290359533
                2s
                   +0 :               0.00012931906828
                3s
                   +0 :              -0.00003269832854
                2p
                   -1 :               0.00011933251309
                   +0 :              -0.00013983657398
                   +1 :               0.00008369014822
                3p
                   -1 :              -0.00015803202334
                   +0 :               0.00001296747165
                   +1 :              -0.00002084006519
                3d
                   -2 :               0.00000201995014
                   -1 :               0.00000167323133
                   +0 :               0.00000520546957
                   +1 :               0.00001829249724
                   +2 :              -0.00002039164822
             12 vec=    13.386289      4.492029     -8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00004284467338
                2s
                   +0 :              -0.00024957156938
                3s
                   +0 :               0.00008918067929
                2p
                   -1 :               0.00017110736143
                   +0 :              -0.00001484678066
                   +1 :              -0.00016606316342
                3p
                   -1 :              -0.00012924322099
                   +0 :              -0.00001785701200
                   +1 :               0.00018479189357
                3d
                   -2 :               0.00000092346232
                   -1 :               0.00000501475704
                   +0 :              -0.00001075966925
                   +1 :              -0.00000387534593
                   +2 :              -0.00000189306475
             13 vec=    -2.174037     -4.491729     16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00000809111030
                2s
                   +0 :               0.00001484903393
                3s
                   +0 :               0.00004311091636
                2p
                   -1 :              -0.00001092425191
                   +0 :              -0.00000227655582
                   +1 :              -0.00007682948405
                3p
                   -1 :               0.00002722991778
                   +0 :               0.00005903758881
                   +1 :               0.00001399704357
                3d
                   -2 :              -0.00000421758651
                   -1 :               0.00000164767945
                   +0 :               0.00001451028781
                   +1 :              -0.00000788054421
                   +2 :              -0.00000183348158
             14 vec=    -2.174037      4.492029     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00001112318914
                2s
                   +0 :               0.00006038389660
                3s
                   +0 :              -0.00003821055700
                2p
                   -1 :              -0.00000204209467
                   +0 :               0.00005188179615
                   +1 :              -0.00011638686633
                3p
                   -1 :              -0.00000499496257
                   +0 :              -0.00005468712552
                   +1 :               0.00007203288763
                3d
                   -2 :              -0.00000260790007
                   -1 :               0.00000429849215
                   +0 :               0.00000456798076
                   +1 :               0.00000689014400
                   +2 :              -0.00000248070158
             15 vec=     5.606126      0.000150     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001537698934
                2s
                   +0 :               0.00011172422098
                3s
                   +0 :              -0.00002174323250
                2p
                   -1 :               0.00004356511591
                   +0 :               0.00005019829110
                   +1 :              -0.00004567800111
                3p
                   -1 :              -0.00004131860316
                   +0 :               0.00000405593447
                   +1 :               0.00003041870747
                3d
                   -2 :              -0.00000715373940
                   -1 :              -0.00000389488935
                   +0 :               0.00000249269070
                   +1 :               0.00000260737260
                   +2 :              -0.00000164264786
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 27)  npairs=  14
              1 vec=     0.209546     -0.363243     -8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00054832413481
                2s
                   +0 :               0.00271872467204
                3s
                   +0 :              -0.00137061469809
                2p
                   -1 :               0.00003000828095
                   +0 :              -0.00123527328970
                   +1 :              -0.00223605026736
                3p
                   -1 :              -0.00027401240560
                   +0 :               0.00029275610363
                   +1 :               0.00121473041718
                3d
                   -2 :              -0.00015315929610
                   -1 :               0.00002825558090
                   +0 :               0.00006963851872
                   +1 :              -0.00005702129429
                   +2 :               0.00010025752810
              2 vec=     0.209546      8.620515     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00013953203544
                2s
                   +0 :               0.00079326344313
                3s
                   +0 :              -0.00051294254648
                2p
                   -1 :               0.00060400290866
                   +0 :               0.00010479624654
                   +1 :               0.00038266788102
                3p
                   -1 :              -0.00065851837901
                   +0 :              -0.00010571208840
                   +1 :              -0.00032372374871
                3d
                   -2 :              -0.00004573263473
                   -1 :              -0.00000778693029
                   +0 :               0.00002979687098
                   +1 :               0.00003887269035
                   +2 :               0.00005333793673
              3 vec=    -7.570617      4.128636     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00027073825360
                2s
                   +0 :               0.00327394876383
                3s
                   +0 :              -0.00010365331803
                2p
                   -1 :               0.00026353978847
                   +0 :              -0.00057800166227
                   +1 :               0.00215210683596
                3p
                   -1 :              -0.00040227413407
                   +0 :              -0.00060466954087
                   +1 :              -0.00135233894865
                3d
                   -2 :               0.00000264981344
                   -1 :               0.00002451595900
                   +0 :               0.00025960848711
                   +1 :               0.00013037505971
                   +2 :               0.00008495215235
              4 vec=     7.989708      4.128636     -8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00029644560653
                2s
                   +0 :              -0.00164298400706
                3s
                   +0 :               0.00099507542396
                2p
                   -1 :              -0.00182495074815
                   +0 :               0.00024657229328
                   +1 :              -0.00058255079011
                3p
                   -1 :               0.00184459542954
                   +0 :              -0.00029020213711
                   +1 :               0.00042826218689
                3d
                   -2 :               0.00009699505646
                   -1 :              -0.00016386184486
                   +0 :               0.00005213670822
                   +1 :              -0.00009593954993
                   +2 :              -0.00004344137330
              5 vec=    -7.570617     -4.855122     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00015936083994
                2s
                   +0 :              -0.00167166621428
                3s
                   +0 :               0.00017456689149
                2p
                   -1 :               0.00094691112827
                   +0 :               0.00042965255852
                   +1 :               0.00097379633516
                3p
                   -1 :              -0.00042220920092
                   +0 :               0.00013506933878
                   +1 :              -0.00046182176114
                3d
                   -2 :              -0.00003047085249
                   -1 :              -0.00000823661754
                   +0 :              -0.00004115735277
                   +1 :               0.00001054496353
                   +2 :               0.00000020501137
              6 vec=     7.989708     -4.855122     -8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00009446874903
                2s
                   +0 :               0.00089280742925
                3s
                   +0 :              -0.00022623901191
                2p
                   -1 :              -0.00087644577642
                   +0 :              -0.00130060508874
                   +1 :              -0.00028971273956
                3p
                   -1 :               0.00061839067994
                   +0 :               0.00065238195776
                   +1 :               0.00039977218967
                3d
                   -2 :               0.00001505508621
                   -1 :              -0.00003880410579
                   +0 :               0.00001596785991
                   +1 :              -0.00005227045503
                   +2 :               0.00003053340298
              7 vec=     0.209546     -9.347001     -8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00004467232866
                2s
                   +0 :              -0.00056441520751
                3s
                   +0 :               0.00005812928541
                2p
                   -1 :               0.00034733759910
                   +0 :              -0.00005302490256
                   +1 :              -0.00051822519620
                3p
                   -1 :              -0.00016862239942
                   +0 :               0.00003390637820
                   +1 :               0.00018093325350
                3d
                   -2 :               0.00000170400614
                   -1 :               0.00000304663980
                   +0 :               0.00000669372914
                   +1 :              -0.00001288660933
                   +2 :              -0.00001289730019
              8 vec=     0.209546     -0.363243     16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000682047513
                2s
                   +0 :               0.00002192566170
                3s
                   +0 :              -0.00001781161358
                2p
                   -1 :               0.00005721336885
                   +0 :              -0.00004487014375
                   +1 :              -0.00005356174560
                3p
                   -1 :              -0.00003951471233
                   +0 :               0.00003214498013
                   +1 :               0.00001147737716
                3d
                   -2 :               0.00000324034696
                   -1 :              -0.00000158712030
                   +0 :               0.00000073231847
                   +1 :              -0.00000141229247
                   +2 :               0.00000519887594
              9 vec=    -7.570617     13.112394     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00004281094323
                2s
                   +0 :               0.00050092112930
                3s
                   +0 :              -0.00008586641105
                2p
                   -1 :               0.00020013751353
                   +0 :               0.00000243629494
                   +1 :               0.00006600957312
                3p
                   -1 :              -0.00002056110116
                   +0 :              -0.00006328881545
                   +1 :              -0.00001271402131
                3d
                   -2 :              -0.00000201724548
                   -1 :              -0.00001289574519
                   +0 :              -0.00001390136954
                   +1 :              -0.00000881903652
                   +2 :              -0.00000323947690
             10 vec=     7.989708     13.112394     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00001458100548
                2s
                   +0 :              -0.00021843998229
                3s
                   +0 :              -0.00000160042293
                2p
                   -1 :               0.00011905991850
                   +0 :               0.00000130461665
                   +1 :              -0.00007930896944
                3p
                   -1 :              -0.00015946318036
                   +0 :               0.00002855883570
                   +1 :               0.00003200304571
                3d
                   -2 :               0.00000016514333
                   -1 :               0.00000104174008
                   +0 :              -0.00000339379372
                   +1 :              -0.00000032042012
                   +2 :               0.00000983951848
             11 vec=   -15.350780     -0.363243     -8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00003350995320
                2s
                   +0 :               0.00027139167363
                3s
                   +0 :              -0.00008318310754
                2p
                   -1 :              -0.00020776794607
                   +0 :               0.00007439578902
                   +1 :              -0.00007638440243
                3p
                   -1 :               0.00005817285195
                   +0 :              -0.00000288456812
                   +1 :               0.00005557881885
                3d
                   -2 :               0.00000150660942
                   -1 :               0.00000213185576
                   +0 :              -0.00000901956897
                   +1 :              -0.00001021622766
                   +2 :              -0.00000330381805
             12 vec=    15.769871     -0.363243     -8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000429799407
                2s
                   +0 :               0.00000597128632
                3s
                   +0 :               0.00000072840386
                2p
                   -1 :              -0.00020033527758
                   +0 :               0.00004855396096
                   +1 :              -0.00006543675367
                3p
                   -1 :               0.00019306840376
                   +0 :              -0.00006281177345
                   +1 :               0.00008226904878
                3d
                   -2 :               0.00000430042924
                   -1 :              -0.00000614883722
                   +0 :               0.00001168932263
                   +1 :              -0.00000492908036
                   +2 :               0.00000807102616
             13 vec=    -7.570617    -13.838880     -8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00004253345146
                2s
                   +0 :              -0.00037912629457
                3s
                   +0 :               0.00008514556450
                2p
                   -1 :               0.00009310193104
                   +0 :               0.00003774655858
                   +1 :               0.00003783941851
                3p
                   -1 :               0.00001379427366
                   +0 :               0.00002048615322
                   +1 :              -0.00003715248864
                3d
                   -2 :               0.00000195615065
                   -1 :              -0.00000168083800
                   +0 :              -0.00000618131765
                   +1 :               0.00000434832937
                   +2 :               0.00000082404375
             14 vec=     7.989708    -13.838880     -8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00000234821719
                2s
                   +0 :              -0.00002389612732
                3s
                   +0 :               0.00000023953690
                2p
                   -1 :              -0.00001540853596
                   +0 :              -0.00001942687209
                   +1 :              -0.00002932975433
                3p
                   -1 :              -0.00002697436985
                   +0 :               0.00000611485617
                   +1 :               0.00001399129613
                3d
                   -2 :              -0.00000170119379
                   -1 :               0.00000297821538
                   +0 :              -0.00000249765187
                   +1 :               0.00000141156762
                   +2 :              -0.00000394798821
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 28)  npairs=  14
              1 vec=    -2.174555     -1.739106      4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00123140800351
                2s
                   +0 :              -0.04021036091683
                3s
                   +0 :               0.00228224793732
                2p
                   -1 :               0.00930598853924
                   +0 :              -0.02716173814493
                   +1 :               0.00047319421749
                3p
                   -1 :               0.00094537464162
                   +0 :               0.00491874947695
                   +1 :               0.00115327242069
                3d
                   -2 :              -0.00068834104205
                   -1 :               0.00068079622535
                   +0 :              -0.00091901048168
                   +1 :              -0.00038024706457
                   +2 :               0.00049558780762
              2 vec=     5.605607      2.752773      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00002487468425
                2s
                   +0 :               0.00079652574726
                3s
                   +0 :               0.00003940390633
                2p
                   -1 :               0.00587527025349
                   +0 :              -0.00313311106108
                   +1 :               0.00178102885239
                3p
                   -1 :              -0.00394753515067
                   +0 :               0.00436836283495
                   +1 :               0.00010122519054
                3d
                   -2 :              -0.00019041174697
                   -1 :              -0.00006552065804
                   +0 :               0.00031486625677
                   +1 :              -0.00031469825260
                   +2 :              -0.00013849199409
              3 vec=    -2.174555      7.244652      4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00069220760185
                2s
                   +0 :              -0.00522486725836
                3s
                   +0 :               0.00159880913175
                2p
                   -1 :              -0.00233227831717
                   +0 :              -0.00524590275854
                   +1 :              -0.00073122905652
                3p
                   -1 :               0.00156045268102
                   +0 :               0.00185223512306
                   +1 :               0.00003683733798
                3d
                   -2 :              -0.00007770338264
                   -1 :               0.00012184585482
                   +0 :              -0.00028481593461
                   +1 :              -0.00017925663311
                   +2 :              -0.00015793677640
              4 vec=     5.605607     -6.230985      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00042117775435
                2s
                   +0 :               0.00303039863677
                3s
                   +0 :              -0.00059297177020
                2p
                   -1 :              -0.00086062096612
                   +0 :               0.00098691722941
                   +1 :              -0.00099285903537
                3p
                   -1 :              -0.00026085125070
                   +0 :              -0.00055991334084
                   +1 :               0.00168772344417
                3d
                   -2 :              -0.00002195804961
                   -1 :               0.00014315036783
                   +0 :               0.00003220824271
                   +1 :               0.00002177988103
                   +2 :               0.00000392551024
              5 vec=    -9.954718      2.752773      4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00022620929004
                2s
                   +0 :               0.00076012834916
                3s
                   +0 :              -0.00071306741912
                2p
                   -1 :              -0.00007771164254
                   +0 :              -0.00011108032178
                   +1 :               0.00089683672594
                3p
                   -1 :              -0.00037356063285
                   +0 :              -0.00013868785422
                   +1 :              -0.00031579455685
                3d
                   -2 :               0.00001920286007
                   -1 :              -0.00002836473071
                   +0 :              -0.00010262012795
                   +1 :               0.00000062060270
                   +2 :               0.00006058228463
              6 vec=    -2.174555    -10.722864      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00003353863576
                2s
                   +0 :               0.00001089191597
                3s
                   +0 :              -0.00001289053985
                2p
                   -1 :              -0.00030666935460
                   +0 :               0.00000553829637
                   +1 :               0.00026628145379
                3p
                   -1 :               0.00036496089122
                   +0 :              -0.00009339137624
                   +1 :              -0.00042751394633
                3d
                   -2 :               0.00004334841145
                   -1 :              -0.00003627315583
                   +0 :               0.00003395776339
                   +1 :              -0.00002095212395
                   +2 :              -0.00002188597664
              7 vec=    -9.954718     -6.230985      4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001640410841
                2s
                   +0 :              -0.00070045273038
                3s
                   +0 :              -0.00014301503905
                2p
                   -1 :               0.00048345048731
                   +0 :              -0.00060533057840
                   +1 :               0.00034638398383
                3p
                   -1 :              -0.00026278415594
                   +0 :               0.00044862584601
                   +1 :              -0.00010413505029
                3d
                   -2 :               0.00000441342671
                   -1 :              -0.00003756720036
                   +0 :               0.00003186370872
                   +1 :              -0.00006102643041
                   +2 :              -0.00001160100563
              8 vec=     5.605607     11.736531      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00002627062678
                2s
                   +0 :              -0.00002485249677
                3s
                   +0 :               0.00010680419589
                2p
                   -1 :              -0.00021627482897
                   +0 :               0.00049143943351
                   +1 :              -0.00032537673033
                3p
                   -1 :               0.00026773555717
                   +0 :              -0.00021906347846
                   +1 :               0.00010748105363
                3d
                   -2 :              -0.00000373587299
                   -1 :               0.00001092337484
                   +0 :               0.00000663410393
                   +1 :              -0.00001374121248
                   +2 :              -0.00001131292429
              9 vec=    13.385770     -1.739106      4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00012320117461
                2s
                   +0 :               0.00122043599153
                3s
                   +0 :              -0.00024690760386
                2p
                   -1 :              -0.00034784346729
                   +0 :               0.00030103309491
                   +1 :               0.00033940238381
                3p
                   -1 :               0.00015636248637
                   +0 :              -0.00001639427065
                   +1 :              -0.00010622971018
                3d
                   -2 :               0.00001926916034
                   -1 :               0.00000859390646
                   +0 :               0.00001382430939
                   +1 :              -0.00000270474868
                   +2 :              -0.00002269272948
             10 vec=    13.385770      7.244652      4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00001100798478
                2s
                   +0 :               0.00014882018567
                3s
                   +0 :              -0.00000617772998
                2p
                   -1 :               0.00031215177997
                   +0 :               0.00005561909003
                   +1 :              -0.00009163125912
                3p
                   -1 :              -0.00019111649896
                   +0 :               0.00002579892401
                   +1 :               0.00010591019275
                3d
                   -2 :               0.00000655870819
                   -1 :              -0.00000851763102
                   +0 :               0.00000175627289
                   +1 :               0.00000128297898
                   +2 :               0.00000912076382
             11 vec=    -9.954718     11.736531      4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00007587348217
                2s
                   +0 :              -0.00052374446443
                3s
                   +0 :               0.00021438849874
                2p
                   -1 :              -0.00027372948208
                   +0 :              -0.00018097300148
                   +1 :               0.00018364532371
                3p
                   -1 :               0.00012039856953
                   +0 :               0.00016133968270
                   +1 :              -0.00007089052973
                3d
                   -2 :               0.00000090983196
                   -1 :               0.00001171689602
                   +0 :               0.00001486538847
                   +1 :              -0.00001161365246
                   +2 :              -0.00000094514474
             12 vec=     5.605607    -15.214743      4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00002364648276
                2s
                   +0 :               0.00022512602692
                3s
                   +0 :              -0.00006343873113
                2p
                   -1 :              -0.00021593088021
                   +0 :               0.00000859902710
                   +1 :              -0.00000505847477
                3p
                   -1 :               0.00010901240253
                   +0 :              -0.00001624173087
                   +1 :              -0.00003152268492
                3d
                   -2 :               0.00000644531408
                   -1 :              -0.00000124812897
                   +0 :              -0.00000075339743
                   +1 :              -0.00000735447151
                   +2 :               0.00000402291786
             13 vec=    -2.174555     16.228410      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00002358530796
                2s
                   +0 :              -0.00021206393197
                3s
                   +0 :               0.00005332717827
                2p
                   -1 :              -0.00004819666746
                   +0 :              -0.00001178615475
                   +1 :               0.00004283760995
                3p
                   -1 :              -0.00001490626188
                   +0 :               0.00001575683376
                   +1 :              -0.00000440643036
                3d
                   -2 :              -0.00000397907644
                   -1 :               0.00000558400807
                   +0 :               0.00000588082721
                   +1 :              -0.00000283914977
                   +2 :              -0.00000343618860
             14 vec=    13.385770    -10.722864      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00002622479225
                2s
                   +0 :               0.00023763211543
                3s
                   +0 :              -0.00004868175464
                2p
                   -1 :              -0.00001206347431
                   +0 :              -0.00000329681200
                   +1 :               0.00010065237209
                3p
                   -1 :              -0.00002860752571
                   +0 :               0.00001337743350
                   +1 :              -0.00002137597069
                3d
                   -2 :               0.00000678336899
                   -1 :               0.00000309691641
                   +0 :               0.00000054521362
                   +1 :               0.00000466346449
                   +2 :               0.00000191425580
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 29)  npairs=  14
              1 vec=     2.593647     -1.739106      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00300388718385
                2s
                   +0 :               0.04777024474367
                3s
                   +0 :              -0.00533738533497
                2p
                   -1 :              -0.00895068865345
                   +0 :               0.02589654343674
                   +1 :               0.01890906450381
                3p
                   -1 :              -0.00167107025113
                   +0 :               0.00051720861032
                   +1 :              -0.00807010439384
                3d
                   -2 :              -0.00075299850438
                   -1 :              -0.00211398310724
                   +0 :               0.00173355938088
                   +1 :               0.00083731195860
                   +2 :              -0.00045736634881
              2 vec=    -5.186516      2.752773      4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00162436147985
                2s
                   +0 :              -0.01153228283602
                3s
                   +0 :               0.00493748388925
                2p
                   -1 :              -0.00297560574664
                   +0 :              -0.00058408064342
                   +1 :               0.00955429676669
                3p
                   -1 :               0.00200482278915
                   +0 :              -0.00066916916410
                   +1 :              -0.00713772845367
                3d
                   -2 :              -0.00043671221411
                   -1 :               0.00006690720693
                   +0 :              -0.00023617868080
                   +1 :              -0.00012031990423
                   +2 :               0.00024287792501
              3 vec=     2.593647      7.244652      4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00017100023428
                2s
                   +0 :              -0.00123021345089
                3s
                   +0 :               0.00049090410007
                2p
                   -1 :              -0.00085048568882
                   +0 :               0.00194664880888
                   +1 :              -0.00002494468341
                3p
                   -1 :               0.00042137704997
                   +0 :              -0.00085019571745
                   +1 :              -0.00073707647133
                3d
                   -2 :              -0.00012309243010
                   -1 :               0.00010242004562
                   +0 :               0.00009905089138
                   +1 :              -0.00016422273349
                   +2 :              -0.00003961724452
              4 vec=    -5.186516     -6.230985      4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00015111152322
                2s
                   +0 :              -0.00097918872541
                3s
                   +0 :               0.00024525838761
                2p
                   -1 :               0.00259759608655
                   +0 :              -0.00131758340021
                   +1 :               0.00142617224499
                3p
                   -1 :              -0.00205716166143
                   +0 :               0.00094514324624
                   +1 :              -0.00112964422968
                3d
                   -2 :               0.00011009685458
                   -1 :              -0.00004928711668
                   +0 :              -0.00002942130045
                   +1 :              -0.00001168812693
                   +2 :              -0.00001398185650
              5 vec=    10.373810      2.752773      4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00015906177159
                2s
                   +0 :               0.00163698666719
                3s
                   +0 :              -0.00050933356594
                2p
                   -1 :               0.00047122521472
                   +0 :              -0.00016321090435
                   +1 :               0.00145966463487
                3p
                   -1 :              -0.00031111354400
                   +0 :               0.00037288470911
                   +1 :              -0.00088527932116
                3d
                   -2 :              -0.00006598954847
                   -1 :              -0.00004347441773
                   +0 :               0.00001521344370
                   +1 :               0.00009928574860
                   +2 :              -0.00001111338783
              6 vec=     2.593647    -10.722864      4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00004402835249
                2s
                   +0 :               0.00029783484763
                3s
                   +0 :               0.00001378238289
                2p
                   -1 :              -0.00015961789560
                   +0 :              -0.00031880224315
                   +1 :              -0.00045179015644
                3p
                   -1 :              -0.00013548370764
                   +0 :               0.00032228689138
                   +1 :               0.00021721806155
                3d
                   -2 :              -0.00002789715428
                   -1 :              -0.00003096748343
                   +0 :              -0.00006644817533
                   +1 :              -0.00003830216840
                   +2 :              -0.00005238636300
              7 vec=    10.373810     -6.230985      4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00009894504527
                2s
                   +0 :               0.00124490142489
                3s
                   +0 :              -0.00024665986124
                2p
                   -1 :               0.00040427841537
                   +0 :               0.00027708195301
                   +1 :               0.00073502059440
                3p
                   -1 :              -0.00036504509365
                   +0 :              -0.00013752245020
                   +1 :              -0.00037023043500
                3d
                   -2 :              -0.00003278351414
                   -1 :               0.00001198333850
                   +0 :              -0.00000663846840
                   +1 :               0.00000004729344
                   +2 :              -0.00003164367369
              8 vec=    -5.186516     11.736531      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00001682651843
                2s
                   +0 :              -0.00035088862450
                3s
                   +0 :              -0.00003389964306
                2p
                   -1 :              -0.00029564613861
                   +0 :              -0.00012916622538
                   +1 :              -0.00046240755410
                3p
                   -1 :               0.00023836917753
                   +0 :               0.00001655275917
                   +1 :               0.00042203078141
                3d
                   -2 :               0.00002249051023
                   -1 :              -0.00001096281612
                   +0 :               0.00000172631963
                   +1 :              -0.00002348998924
                   +2 :              -0.00002460055166
              9 vec=   -12.966678     -1.739106      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00005935468586
                2s
                   +0 :              -0.00078224179786
                3s
                   +0 :               0.00003047717574
                2p
                   -1 :              -0.00018741865146
                   +0 :              -0.00020239658252
                   +1 :              -0.00000341232058
                3p
                   -1 :               0.00023094883142
                   +0 :              -0.00006668597706
                   +1 :               0.00017573170280
                3d
                   -2 :               0.00000070130252
                   -1 :               0.00003405938475
                   +0 :              -0.00002520195575
                   +1 :              -0.00000593668097
                   +2 :               0.00000911839002
             10 vec=   -12.966678      7.244652      4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00001024892586
                2s
                   +0 :               0.00001485294017
                3s
                   +0 :              -0.00000442307170
                2p
                   -1 :              -0.00001413162093
                   +0 :               0.00011113292394
                   +1 :               0.00017326024917
                3p
                   -1 :              -0.00004169705770
                   +0 :               0.00003530516259
                   +1 :              -0.00007937751290
                3d
                   -2 :               0.00000346472461
                   -1 :               0.00000463242066
                   +0 :              -0.00000033000987
                   +1 :               0.00000176260388
                   +2 :               0.00000261615615
             11 vec=    10.373810     11.736531      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000258634057
                2s
                   +0 :               0.00001237593653
                3s
                   +0 :               0.00000247510542
                2p
                   -1 :               0.00004101496950
                   +0 :              -0.00001741973060
                   +1 :               0.00011784547595
                3p
                   -1 :               0.00004741162284
                   +0 :               0.00000484348714
                   +1 :              -0.00006544613788
                3d
                   -2 :              -0.00000329013107
                   -1 :              -0.00000826164957
                   +0 :              -0.00000856303160
                   +1 :              -0.00000585723047
                   +2 :              -0.00000682184578
             12 vec=    -5.186516    -15.214743      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00002474271743
                2s
                   +0 :              -0.00019411837837
                3s
                   +0 :               0.00005275365933
                2p
                   -1 :               0.00008199457010
                   +0 :               0.00002771875138
                   +1 :              -0.00006195094904
                3p
                   -1 :              -0.00000074058938
                   +0 :              -0.00006650619188
                   +1 :               0.00002539448395
                3d
                   -2 :               0.00000063156085
                   -1 :               0.00000509995223
                   +0 :              -0.00000083556582
                   +1 :              -0.00000749775300
                   +2 :              -0.00000248196359
             13 vec=     2.593647     16.228410      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00001368175464
                2s
                   +0 :              -0.00018429779787
                3s
                   +0 :               0.00000241985606
                2p
                   -1 :              -0.00006540465201
                   +0 :               0.00000076631784
                   +1 :              -0.00006126297355
                3p
                   -1 :               0.00001417469768
                   +0 :              -0.00002775790666
                   +1 :               0.00002838411612
                3d
                   -2 :               0.00000267022706
                   -1 :               0.00000295297244
                   +0 :              -0.00000136029503
                   +1 :              -0.00000118074455
                   +2 :               0.00000169497663
             14 vec=   -12.966678    -10.722864      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00002921470734
                2s
                   +0 :              -0.00030704681763
                3s
                   +0 :               0.00004088060479
                2p
                   -1 :               0.00004779523225
                   +0 :              -0.00005253787920
                   +1 :              -0.00002937498807
                3p
                   -1 :               0.00002013289269
                   +0 :              -0.00001219861011
                   +1 :               0.00011494770999
                3d
                   -2 :              -0.00000895653684
                   -1 :              -0.00000085954493
                   +0 :              -0.00000315459515
                   +1 :               0.00000231990169
                   +2 :              -0.00000286671874
WF             site_B          number of pairs
WF(  8)=[O_1_2px]  to site O ( 30)  npairs=  14
              1 vec=     0.209546      3.115268      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00246580682637
                2s
                   +0 :               0.01393093663302
                3s
                   +0 :              -0.00582412014714
                2p
                   -1 :               0.00868792791562
                   +0 :              -0.00137949068254
                   +1 :              -0.00472337113449
                3p
                   -1 :              -0.00508220372992
                   +0 :               0.00294162641785
                   +1 :              -0.00391089729305
                3d
                   -2 :              -0.00090976640257
                   -1 :               0.00003626836474
                   +0 :               0.00074826132189
                   +1 :              -0.00156190849997
                   +2 :              -0.00007465718005
              2 vec=     0.209546     -5.868490      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00009797759588
                2s
                   +0 :               0.00220170463519
                3s
                   +0 :              -0.00019050623637
                2p
                   -1 :              -0.00505009795827
                   +0 :               0.00096682311673
                   +1 :               0.00200484979738
                3p
                   -1 :               0.00352438599709
                   +0 :               0.00013781185595
                   +1 :              -0.00281364805191
                3d
                   -2 :               0.00012533575888
                   -1 :              -0.00006993852718
                   +0 :               0.00006145972547
                   +1 :              -0.00020743252138
                   +2 :               0.00039180618717
              3 vec=    -7.570617     -1.376611      4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00038313350210
                2s
                   +0 :              -0.00277421799261
                3s
                   +0 :               0.00036806179585
                2p
                   -1 :               0.00136689499218
                   +0 :              -0.00293867191780
                   +1 :               0.00089189703887
                3p
                   -1 :              -0.00009267183102
                   +0 :              -0.00008044093013
                   +1 :              -0.00039576619874
                3d
                   -2 :              -0.00001481263527
                   -1 :               0.00019944433159
                   +0 :              -0.00026438080011
                   +1 :               0.00008099572524
                   +2 :               0.00004718998462
              4 vec=     7.989708     -1.376611      4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00033001718003
                2s
                   +0 :               0.00231538774063
                3s
                   +0 :              -0.00021148097834
                2p
                   -1 :              -0.00228178606864
                   +0 :               0.00240813200034
                   +1 :               0.00017238653738
                3p
                   -1 :               0.00174720385141
                   +0 :              -0.00004217931921
                   +1 :               0.00052943370216
                3d
                   -2 :              -0.00001943393639
                   -1 :              -0.00007973576394
                   +0 :               0.00009292443923
                   +1 :               0.00016511879657
                   +2 :               0.00015072301978
              5 vec=    -7.570617      7.607147      4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00022381215763
                2s
                   +0 :               0.00089892632466
                3s
                   +0 :              -0.00074477266201
                2p
                   -1 :               0.00108778726465
                   +0 :              -0.00036553041124
                   +1 :               0.00003997645013
                3p
                   -1 :              -0.00115657622639
                   +0 :               0.00021099514284
                   +1 :               0.00031619858831
                3d
                   -2 :               0.00004371620911
                   -1 :               0.00004713875975
                   +0 :              -0.00004285865151
                   +1 :              -0.00004292288293
                   +2 :               0.00004405559393
              6 vec=     7.989708      7.607147      4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00001183501617
                2s
                   +0 :               0.00017886923177
                3s
                   +0 :               0.00010671638141
                2p
                   -1 :               0.00027580088902
                   +0 :               0.00071022522724
                   +1 :               0.00040324195842
                3p
                   -1 :               0.00008139612524
                   +0 :              -0.00059605638328
                   +1 :              -0.00026791467092
                3d
                   -2 :               0.00006388062829
                   -1 :              -0.00000267352235
                   +0 :              -0.00007384295205
                   +1 :               0.00001004552655
                   +2 :              -0.00002222518626
              7 vec=     0.209546     12.099026      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00000214445508
                2s
                   +0 :              -0.00027010292513
                3s
                   +0 :              -0.00010591192706
                2p
                   -1 :               0.00017921608456
                   +0 :              -0.00021854533634
                   +1 :               0.00006830323778
                3p
                   -1 :              -0.00033209916987
                   +0 :               0.00018926209440
                   +1 :              -0.00008032897245
                3d
                   -2 :              -0.00000730116535
                   -1 :               0.00000256242815
                   +0 :               0.00001739469099
                   +1 :               0.00004015116309
                   +2 :               0.00000278092479
              8 vec=    -7.570617    -10.360369      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00003409433354
                2s
                   +0 :              -0.00015584403277
                3s
                   +0 :              -0.00019390776627
                2p
                   -1 :              -0.00052048428944
                   +0 :              -0.00017142329273
                   +1 :               0.00006146587670
                3p
                   -1 :               0.00054277170235
                   +0 :              -0.00002336907431
                   +1 :               0.00000895487327
                3d
                   -2 :              -0.00000198952478
                   -1 :              -0.00002135130620
                   +0 :              -0.00002127182435
                   +1 :               0.00000357881454
                   +2 :               0.00003107685207
              9 vec=     7.989708    -10.360369      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00009624210366
                2s
                   +0 :               0.00114207620239
                3s
                   +0 :              -0.00020840919382
                2p
                   -1 :              -0.00088685457969
                   +0 :               0.00009210362702
                   +1 :               0.00028022564154
                3p
                   -1 :               0.00054545074808
                   +0 :              -0.00000192949599
                   +1 :              -0.00009375960805
                3d
                   -2 :              -0.00001346671229
                   -1 :               0.00001572489752
                   +0 :               0.00002041877348
                   +1 :              -0.00001994826801
                   +2 :               0.00003599387388
             10 vec=     0.209546    -14.852248      4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00002681265449
                2s
                   +0 :              -0.00014333753030
                3s
                   +0 :               0.00009924325045
                2p
                   -1 :               0.00015839118261
                   +0 :              -0.00006609398887
                   +1 :              -0.00010058153931
                3p
                   -1 :              -0.00013921311343
                   +0 :               0.00006286071458
                   +1 :               0.00001099028698
                3d
                   -2 :               0.00000244788958
                   -1 :              -0.00000979840099
                   +0 :              -0.00000046911954
                   +1 :              -0.00000667793950
                   +2 :              -0.00000600309300
             11 vec=   -15.350780      3.115268      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00001716968890
                2s
                   +0 :              -0.00016644552353
                3s
                   +0 :              -0.00001444969411
                2p
                   -1 :              -0.00007073139284
                   +0 :               0.00005323303043
                   +1 :               0.00008531945329
                3p
                   -1 :              -0.00003189037464
                   +0 :              -0.00009559878641
                   +1 :               0.00009302188282
                3d
                   -2 :               0.00000210547431
                   -1 :              -0.00000756960034
                   +0 :               0.00001231180929
                   +1 :               0.00001390862821
                   +2 :              -0.00001273966309
             12 vec=    15.769871      3.115268      4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00002953823151
                2s
                   +0 :               0.00032026082452
                3s
                   +0 :              -0.00007466593729
                2p
                   -1 :               0.00003536683879
                   +0 :              -0.00006924346396
                   +1 :               0.00005227712622
                3p
                   -1 :               0.00002926389997
                   +0 :               0.00006887440255
                   +1 :               0.00010067792739
                3d
                   -2 :              -0.00001008087302
                   -1 :              -0.00000301705377
                   +0 :              -0.00000453308298
                   +1 :              -0.00000694933063
                   +2 :               0.00002009153907
             13 vec=   -15.350780     -5.868490      4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00002827195807
                2s
                   +0 :              -0.00020346297958
                3s
                   +0 :               0.00005688921133
                2p
                   -1 :              -0.00003058067914
                   +0 :               0.00010250080437
                   +1 :               0.00011299249559
                3p
                   -1 :               0.00003911314343
                   +0 :              -0.00006522536028
                   +1 :              -0.00003431581052
                3d
                   -2 :              -0.00000041768157
                   -1 :               0.00000190213678
                   +0 :              -0.00000014688162
                   +1 :              -0.00000005546554
                   +2 :              -0.00000443717330
             14 vec=    15.769871     -5.868490      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00002149872114
                2s
                   +0 :               0.00023542030179
                3s
                   +0 :              -0.00003228628007
                2p
                   -1 :              -0.00012746868001
                   +0 :               0.00002449039859
                   +1 :               0.00011090462621
                3p
                   -1 :               0.00006808394789
                   +0 :              -0.00003596746724
                   +1 :              -0.00000831794747
                3d
                   -2 :              -0.00000245820397
                   -1 :               0.00000518711825
                   +0 :              -0.00000362690097
                   +1 :              -0.00000206552538
                   +2 :               0.00000581461945
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al(  1)  npairs=  14
              1 vec=     2.383842      1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.00914247359667
                2p
                   -1 :               0.00372871011175
                   +0 :               0.01059441544802
                   +1 :               0.00963565661313
                3s
                   +0 :               0.03213164851439
                4s
                   +0 :               0.00179595624483
                3p
                   -1 :              -0.02223732882211
                   +0 :               0.02942481389142
                   +1 :               0.02716759947298
                4p
                   -1 :               0.00540894668830
                   +0 :               0.00329888363995
                   +1 :               0.00139592123691
                3d
                   -2 :              -0.00661116552116
                   -1 :              -0.00452570202744
                   +0 :               0.01133373419378
                   +1 :               0.02627075569437
                   +2 :               0.01938133274192
              2 vec=    -5.396321     -3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00212016745222
                2p
                   -1 :               0.00040339548478
                   +0 :              -0.00030942314023
                   +1 :               0.00044003694370
                3s
                   +0 :               0.01368211718464
                4s
                   +0 :              -0.00388544792510
                3p
                   -1 :              -0.00390850627202
                   +0 :               0.00702844833634
                   +1 :              -0.00763793436366
                4p
                   -1 :               0.00061792366427
                   +0 :              -0.00146798295450
                   +1 :               0.00122190733125
                3d
                   -2 :              -0.00051894914692
                   -1 :              -0.00212033507398
                   +0 :              -0.00056611836901
                   +1 :              -0.00000407650090
                   +2 :               0.00159008027414
              3 vec=    -5.396321      5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00101577786023
                2p
                   -1 :              -0.00030096224654
                   +0 :              -0.00059628381104
                   +1 :               0.00055366062921
                3s
                   +0 :               0.00926419878581
                4s
                   +0 :              -0.00146788708135
                3p
                   -1 :              -0.00006560095930
                   +0 :               0.00819422994103
                   +1 :              -0.00516804716333
                4p
                   -1 :              -0.00009881667662
                   +0 :              -0.00114464212060
                   +1 :               0.00078428338078
                3d
                   -2 :               0.00086102552493
                   -1 :               0.00010249321328
                   +0 :               0.00107409125225
                   +1 :              -0.00220254540424
                   +2 :               0.00108259212857
              4 vec=     2.383842     -7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00147648008146
                2p
                   -1 :               0.00108754670714
                   +0 :               0.00034279708405
                   +1 :              -0.00072262828805
                3s
                   +0 :               0.00037163289421
                4s
                   +0 :              -0.00162703081810
                3p
                   -1 :              -0.00549432249870
                   +0 :              -0.00626642834343
                   +1 :               0.00552863590417
                4p
                   -1 :               0.00207900365748
                   +0 :               0.00052183598175
                   +1 :              -0.00032354057169
                3d
                   -2 :              -0.00215078951771
                   -1 :               0.00147499327023
                   +0 :              -0.00322272345243
                   +1 :               0.00135758622023
                   +2 :              -0.00117339332210
              5 vec=     2.383842     10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00000233218448
                2p
                   -1 :              -0.00004728963129
                   +0 :               0.00001383013842
                   +1 :              -0.00020453436971
                3s
                   +0 :               0.00067562304464
                4s
                   +0 :              -0.00008437419678
                3p
                   -1 :               0.00075657401006
                   +0 :              -0.00016698063786
                   +1 :               0.00087798039094
                4p
                   -1 :              -0.00018260199953
                   +0 :               0.00003235472471
                   +1 :              -0.00011388496626
                3d
                   -2 :               0.00035167648552
                   -1 :               0.00031449459402
                   +0 :              -0.00013789763600
                   +1 :              -0.00016401627551
                   +2 :              -0.00011344487922
              6 vec=    10.164004     -3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00037455016188
                2p
                   -1 :               0.00005402141384
                   +0 :              -0.00013127327851
                   +1 :              -0.00037953694044
                3s
                   +0 :               0.00009765352839
                4s
                   +0 :              -0.00028967430815
                3p
                   -1 :               0.00016622887226
                   +0 :               0.00049600632529
                   +1 :               0.00092915034158
                4p
                   -1 :               0.00008956639141
                   +0 :              -0.00028588088644
                   +1 :              -0.00023795434095
                3d
                   -2 :              -0.00009689308504
                   -1 :              -0.00005246544581
                   +0 :              -0.00016429238106
                   +1 :               0.00007126124042
                   +2 :               0.00018297879742
              7 vec=    10.164004      5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00045439650630
                2p
                   -1 :               0.00016411581382
                   +0 :               0.00027131898065
                   +1 :               0.00016107313648
                3s
                   +0 :              -0.00179898575458
                4s
                   +0 :               0.00064620744704
                3p
                   -1 :              -0.00065550932733
                   +0 :              -0.00111502318146
                   +1 :              -0.00074825742491
                4p
                   -1 :               0.00023883529605
                   +0 :               0.00026270423724
                   +1 :               0.00018174504120
                3d
                   -2 :              -0.00018743493812
                   -1 :               0.00008383221478
                   +0 :              -0.00001083227505
                   +1 :              -0.00003747251411
                   +2 :              -0.00016608286937
              8 vec=   -13.176483      1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00002997774214
                2p
                   -1 :               0.00014015650351
                   +0 :               0.00003500978075
                   +1 :               0.00004780114477
                3s
                   +0 :              -0.00009728458237
                4s
                   +0 :              -0.00002803398139
                3p
                   -1 :              -0.00081825848598
                   +0 :              -0.00015847811009
                   +1 :              -0.00020825383447
                4p
                   -1 :               0.00020842184798
                   +0 :              -0.00007180143177
                   +1 :               0.00006313629106
                3d
                   -2 :               0.00021343679355
                   -1 :              -0.00012529483820
                   +0 :              -0.00013567552257
                   +1 :               0.00003417775773
                   +2 :               0.00012793310995
              9 vec=    -5.396321    -12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00000439806236
                2p
                   -1 :              -0.00003709054217
                   +0 :               0.00002016138483
                   +1 :               0.00011924057205
                3s
                   +0 :              -0.00153829392447
                4s
                   +0 :               0.00031745139025
                3p
                   -1 :               0.00107585133234
                   +0 :              -0.00097065189802
                   +1 :              -0.00077822339871
                4p
                   -1 :              -0.00025479492407
                   +0 :               0.00008872036260
                   +1 :               0.00010569883072
                3d
                   -2 :               0.00012963568529
                   -1 :               0.00043848230873
                   +0 :              -0.00026704918157
                   +1 :              -0.00003900581741
                   +2 :               0.00021777993957
             10 vec=   -13.176483     -7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00003944900603
                2p
                   -1 :              -0.00002182297051
                   +0 :               0.00000335575252
                   +1 :              -0.00002374167336
                3s
                   +0 :              -0.00021983732602
                4s
                   +0 :              -0.00000429179753
                3p
                   -1 :               0.00002097634689
                   +0 :              -0.00000775796513
                   +1 :               0.00011764518223
                4p
                   -1 :               0.00001385388090
                   +0 :              -0.00000358854696
                   +1 :              -0.00001748962624
                3d
                   -2 :               0.00000050930343
                   -1 :              -0.00005872168827
                   +0 :               0.00002403400707
                   +1 :               0.00004683280525
                   +2 :               0.00001042045818
             11 vec=    -5.396321     14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00009297896234
                2p
                   -1 :              -0.00005198734860
                   +0 :               0.00002416147009
                   +1 :              -0.00004434515426
                3s
                   +0 :               0.00056534490653
                4s
                   +0 :              -0.00016931830839
                3p
                   -1 :               0.00029133880071
                   +0 :              -0.00004158654191
                   +1 :               0.00009501645568
                4p
                   -1 :              -0.00009078070434
                   +0 :               0.00001107266673
                   +1 :              -0.00001328423598
                3d
                   -2 :              -0.00001049598660
                   -1 :              -0.00002105815022
                   +0 :               0.00000507818407
                   +1 :              -0.00000729298076
                   +2 :              -0.00001005368280
             12 vec=    10.164004    -12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00010573551844
                2p
                   -1 :              -0.00004206828508
                   +0 :              -0.00001838024410
                   +1 :               0.00006155095196
                3s
                   +0 :              -0.00014535320224
                4s
                   +0 :               0.00005902418771
                3p
                   -1 :               0.00006165889264
                   +0 :               0.00024558813286
                   +1 :              -0.00027972839519
                4p
                   -1 :              -0.00002477040675
                   +0 :              -0.00003500438486
                   +1 :               0.00004891821628
                3d
                   -2 :              -0.00000182466180
                   -1 :              -0.00002433307878
                   +0 :               0.00004130370378
                   +1 :               0.00002278433084
                   +2 :              -0.00003757230596
             13 vec=   -13.176483     10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00002876950803
                2p
                   -1 :              -0.00000347075368
                   +0 :               0.00001998183827
                   +1 :              -0.00000372768585
                3s
                   +0 :              -0.00008875751687
                4s
                   +0 :               0.00001716708749
                3p
                   -1 :              -0.00003734293132
                   +0 :              -0.00009815017793
                   +1 :               0.00001720174727
                4p
                   -1 :               0.00002951757997
                   +0 :               0.00003012378381
                   +1 :               0.00002169424664
                3d
                   -2 :               0.00000798797876
                   -1 :               0.00000699165481
                   +0 :              -0.00000306036012
                   +1 :               0.00001360107449
                   +2 :               0.00001284163480
             14 vec=     2.383842    -16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00014106312171
                2p
                   -1 :               0.00005704245905
                   +0 :              -0.00003090791920
                   +1 :              -0.00002256609665
                3s
                   +0 :               0.00048449756655
                4s
                   +0 :              -0.00015711387313
                3p
                   -1 :              -0.00029061301407
                   +0 :               0.00018851616796
                   +1 :               0.00006300393373
                4p
                   -1 :               0.00006725751307
                   +0 :              -0.00006197441031
                   +1 :              -0.00001847739723
                3d
                   -2 :              -0.00000749807780
                   -1 :              -0.00001729716265
                   +0 :              -0.00001330554443
                   +1 :              -0.00002452299909
                   +2 :              -0.00002456965073
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al(  2)  npairs=  13
              1 vec=     2.383842      1.376312      9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00029121085986
                2p
                   -1 :              -0.00012076705703
                   +0 :              -0.00000139046787
                   +1 :               0.00007956321229
                3s
                   +0 :               0.00078476142623
                4s
                   +0 :              -0.00026630291333
                3p
                   -1 :               0.00008300088302
                   +0 :               0.00001041044734
                   +1 :              -0.00093502276535
                4p
                   -1 :              -0.00013513682428
                   +0 :              -0.00007252261251
                   +1 :               0.00028142833105
                3d
                   -2 :               0.00031921183693
                   -1 :              -0.00010836539637
                   +0 :              -0.00014397112648
                   +1 :              -0.00016307562002
                   +2 :               0.00001302646268
              2 vec=    -5.396321     -3.115567      9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00008410817443
                2p
                   -1 :               0.00032996434876
                   +0 :               0.00015239911468
                   +1 :               0.00006407637345
                3s
                   +0 :              -0.00083593946966
                4s
                   +0 :               0.00043731311608
                3p
                   -1 :              -0.00162914184010
                   +0 :              -0.00125045409100
                   +1 :              -0.00028793496059
                4p
                   -1 :               0.00050780521219
                   +0 :               0.00032012652787
                   +1 :               0.00007941896666
                3d
                   -2 :              -0.00009394622408
                   -1 :              -0.00022270799456
                   +0 :              -0.00043306738512
                   +1 :               0.00012398372452
                   +2 :               0.00024889680350
              3 vec=    -5.396321      5.868191      9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00003395522101
                2p
                   -1 :               0.00004153469554
                   +0 :               0.00006749181955
                   +1 :              -0.00026646961302
                3s
                   +0 :               0.00183247740570
                4s
                   +0 :              -0.00015967130415
                3p
                   -1 :               0.00057644058894
                   +0 :               0.00013199186623
                   +1 :              -0.00050096242823
                4p
                   -1 :              -0.00004494055212
                   +0 :               0.00013190611718
                   +1 :              -0.00010530962900
                3d
                   -2 :              -0.00018389514220
                   -1 :               0.00009820146002
                   +0 :              -0.00027644819647
                   +1 :              -0.00002012149977
                   +2 :               0.00032655059917
              4 vec=     2.383842     -7.607446      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00000779871791
                2p
                   -1 :               0.00004979946698
                   +0 :              -0.00003292543930
                   +1 :              -0.00021132321619
                3s
                   +0 :              -0.00065625432246
                4s
                   +0 :               0.00015029821970
                3p
                   -1 :               0.00029977452699
                   +0 :               0.00008480679929
                   +1 :               0.00100841310971
                4p
                   -1 :               0.00002007170488
                   +0 :              -0.00003977902144
                   +1 :              -0.00049776838454
                3d
                   -2 :               0.00006023912219
                   -1 :              -0.00013640364863
                   +0 :               0.00010159413479
                   +1 :              -0.00004838602553
                   +2 :              -0.00011906311568
              5 vec=     2.383842     10.360070      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00022141415018
                2p
                   -1 :              -0.00006370686130
                   +0 :              -0.00006256509165
                   +1 :              -0.00001910581948
                3s
                   +0 :               0.00080719802447
                4s
                   +0 :              -0.00019660619737
                3p
                   -1 :               0.00033471634471
                   +0 :               0.00041044801059
                   +1 :               0.00016127530411
                4p
                   -1 :              -0.00004407604651
                   +0 :              -0.00009331388879
                   +1 :               0.00001252773054
                3d
                   -2 :               0.00004551039875
                   -1 :               0.00008797358358
                   +0 :               0.00000130059050
                   +1 :               0.00002569338169
                   +2 :               0.00002205654160
              6 vec=    10.164004     -3.115567      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00000458826898
                2p
                   -1 :               0.00016345553980
                   +0 :               0.00000295680258
                   +1 :               0.00007414629247
                3s
                   +0 :               0.00014944007258
                4s
                   +0 :              -0.00010627086174
                3p
                   -1 :              -0.00106215738516
                   +0 :               0.00005408456147
                   +1 :              -0.00028815687558
                4p
                   -1 :               0.00022675943098
                   +0 :              -0.00000340650042
                   +1 :              -0.00001307868009
                3d
                   -2 :              -0.00019095397572
                   -1 :              -0.00021253603990
                   +0 :               0.00007942055959
                   +1 :              -0.00008425373814
                   +2 :              -0.00009399181761
              7 vec=     2.383842      1.376312    -14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00003860259630
                2p
                   -1 :              -0.00003565881077
                   +0 :               0.00000411952018
                   +1 :               0.00000734494734
                3s
                   +0 :               0.00007245090396
                4s
                   +0 :               0.00003490356551
                3p
                   -1 :               0.00030092774680
                   +0 :              -0.00002579550639
                   +1 :               0.00014521516432
                4p
                   -1 :              -0.00002014086746
                   +0 :              -0.00001909522649
                   +1 :               0.00001741590098
                3d
                   -2 :               0.00001283443074
                   -1 :              -0.00006815517645
                   +0 :              -0.00007051487930
                   +1 :              -0.00007052198615
                   +2 :              -0.00005125987947
              8 vec=    10.164004      5.868191      9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00007310594686
                2p
                   -1 :               0.00004099396704
                   +0 :               0.00006141373350
                   +1 :               0.00001423774021
                3s
                   +0 :              -0.00023368342456
                4s
                   +0 :               0.00008450903714
                3p
                   -1 :              -0.00022609619048
                   +0 :              -0.00033598428585
                   +1 :              -0.00009941254703
                4p
                   -1 :               0.00011311037260
                   +0 :               0.00005385271280
                   +1 :               0.00000401644182
                3d
                   -2 :              -0.00005208638722
                   -1 :              -0.00008553944929
                   +0 :              -0.00003486729999
                   +1 :              -0.00014315258552
                   +2 :               0.00001676083005
              9 vec=    -5.396321     -3.115567    -14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00007091373160
                2p
                   -1 :              -0.00005246552669
                   +0 :               0.00000025826254
                   +1 :               0.00002669418032
                3s
                   +0 :               0.00012448427156
                4s
                   +0 :               0.00001635446375
                3p
                   -1 :               0.00023075797440
                   +0 :               0.00012317463302
                   +1 :              -0.00012079975247
                4p
                   -1 :              -0.00005580757316
                   +0 :              -0.00004330781062
                   +1 :               0.00000964082050
                3d
                   -2 :               0.00006039368184
                   -1 :              -0.00003486130196
                   +0 :              -0.00003991068463
                   +1 :              -0.00002418234625
                   +2 :               0.00003859113927
             10 vec=   -13.176483      1.376312      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00006050629723
                2p
                   -1 :              -0.00002189203447
                   +0 :               0.00000023623169
                   +1 :               0.00000417622488
                3s
                   +0 :               0.00008540980509
                4s
                   +0 :              -0.00001591646975
                3p
                   -1 :               0.00009278678162
                   +0 :              -0.00008371002349
                   +1 :              -0.00001373196049
                4p
                   -1 :              -0.00004289865919
                   +0 :               0.00001927610258
                   +1 :              -0.00002614130628
                3d
                   -2 :              -0.00007461076242
                   -1 :               0.00000014492072
                   +0 :              -0.00004807130809
                   +1 :               0.00002344170547
                   +2 :              -0.00001243351978
             11 vec=    -5.396321    -12.099325      9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00005369870580
                2p
                   -1 :              -0.00000094425509
                   +0 :               0.00001573645522
                   +1 :              -0.00000176983202
                3s
                   +0 :              -0.00047528608773
                4s
                   +0 :               0.00013303344455
                3p
                   -1 :               0.00017937439664
                   +0 :              -0.00019569249704
                   +1 :               0.00003043894860
                4p
                   -1 :              -0.00004333746728
                   +0 :               0.00006978597891
                   +1 :              -0.00004078863814
                3d
                   -2 :               0.00004816198807
                   -1 :               0.00002037521680
                   +0 :               0.00001593316028
                   +1 :              -0.00002439935662
                   +2 :               0.00003730095298
             12 vec=    -5.396321      5.868191    -14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00010948484995
                2p
                   -1 :              -0.00002016862658
                   +0 :               0.00003102941310
                   +1 :              -0.00001344741360
                3s
                   +0 :               0.00041721226279
                4s
                   +0 :              -0.00009899473779
                3p
                   -1 :               0.00002519711833
                   +0 :              -0.00004358806764
                   +1 :               0.00004648808828
                4p
                   -1 :               0.00000510114566
                   +0 :               0.00002398941676
                   +1 :              -0.00001096765696
                3d
                   -2 :               0.00004197338745
                   -1 :               0.00002260646318
                   +0 :              -0.00007132274208
                   +1 :              -0.00001698909311
                   +2 :              -0.00003863842093
             13 vec=     2.383842     -7.607446    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00000834586402
                2p
                   -1 :               0.00002319731154
                   +0 :               0.00000975856931
                   +1 :              -0.00005737378986
                3s
                   +0 :               0.00017028572951
                4s
                   +0 :              -0.00011240662644
                3p
                   -1 :              -0.00013049478552
                   +0 :              -0.00011507351447
                   +1 :               0.00021831785654
                4p
                   -1 :               0.00004113979085
                   +0 :               0.00006495306276
                   +1 :              -0.00007292714449
                3d
                   -2 :               0.00005669621521
                   -1 :               0.00003720982242
                   +0 :               0.00005837606466
                   +1 :              -0.00003338880250
                   +2 :              -0.00001549649134
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Cr(  3)  npairs=  14
              1 vec=     2.383842      1.376312     -2.510723   |vec|=    3.725676
                3s
                   +0 :              -0.02602462746190
                3p
                   -1 :              -0.00455684896445
                   +0 :               0.02879422320979
                   +1 :              -0.03021806308899
                4s
                   +0 :              -0.01541076920748
                5s
                   +0 :              -0.00287390354362
                3d
                   -2 :               0.00515702996832
                   -1 :              -0.00656052598917
                   +0 :              -0.01665467935971
                   +1 :               0.03285462438813
                   +2 :              -0.02388306202200
                4d
                   -2 :               0.00091944897934
                   -1 :              -0.00183287229531
                   +0 :              -0.00191577591764
                   +1 :               0.00457290879235
                   +2 :              -0.00512307837386
                4p
                   -1 :               0.00878769043527
                   +0 :               0.01424315926723
                   +1 :              -0.00856100993992
              2 vec=    -5.396321     -3.115567     -2.510723   |vec|=    6.717944
                3s
                   +0 :              -0.00362274912176
                3p
                   -1 :               0.00067263114642
                   +0 :               0.00108404103885
                   +1 :               0.00320172097466
                4s
                   +0 :               0.00784091558176
                5s
                   +0 :              -0.00260392849907
                3d
                   -2 :               0.00072642159351
                   -1 :              -0.00264438639645
                   +0 :               0.00025888398774
                   +1 :               0.00038165709547
                   +2 :              -0.00170838559615
                4d
                   -2 :               0.00042200002512
                   -1 :               0.00053196569831
                   +0 :              -0.00023705976891
                   +1 :               0.00313016027251
                   +2 :               0.00028304791996
                4p
                   -1 :              -0.00043862720880
                   +0 :              -0.00190591224565
                   +1 :              -0.00305240454088
              3 vec=    -5.396321      5.868191     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00103515426141
                3p
                   -1 :              -0.00013607376097
                   +0 :               0.00029294160602
                   +1 :               0.00025492682456
                4s
                   +0 :              -0.00018487656270
                5s
                   +0 :              -0.00027440051006
                3d
                   -2 :               0.00021537309865
                   -1 :               0.00096085879424
                   +0 :              -0.00217353626559
                   +1 :              -0.00300166406666
                   +2 :              -0.00128957648106
                4d
                   -2 :              -0.00098353494397
                   -1 :              -0.00045776949399
                   +0 :              -0.00098161749665
                   +1 :               0.00017144027223
                   +2 :               0.00003403494441
                4p
                   -1 :               0.00163076442363
                   +0 :               0.00165764638629
                   +1 :              -0.00008142377128
              4 vec=     2.383842     -7.607446     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00123590678036
                3p
                   -1 :               0.00222950127545
                   +0 :               0.00022800067141
                   +1 :              -0.00085750213966
                4s
                   +0 :               0.00283001054490
                5s
                   +0 :               0.00078007779573
                3d
                   -2 :               0.00230359027059
                   -1 :               0.00340894947059
                   +0 :               0.00388841388426
                   +1 :               0.00174446712248
                   +2 :              -0.00028482443323
                4d
                   -2 :               0.00138890503131
                   -1 :              -0.00047713623484
                   +0 :               0.00040013264718
                   +1 :               0.00101538513389
                   +2 :               0.00062802123867
                4p
                   -1 :              -0.00220259676770
                   +0 :              -0.00338597401549
                   +1 :              -0.00187415566168
              5 vec=     2.383842     10.360070     -2.510723   |vec|=   10.923254
                3s
                   +0 :              -0.00067598137574
                3p
                   -1 :              -0.00063104406961
                   +0 :               0.00017729877700
                   +1 :              -0.00042680582843
                4s
                   +0 :              -0.00016472389151
                5s
                   +0 :               0.00020901284342
                3d
                   -2 :              -0.00014132868407
                   -1 :              -0.00032251981312
                   +0 :              -0.00000113016866
                   +1 :               0.00014242289540
                   +2 :               0.00013188484423
                4d
                   -2 :               0.00007879277275
                   -1 :               0.00000839541509
                   +0 :              -0.00005937344788
                   +1 :              -0.00023430329309
                   +2 :               0.00025686721716
                4p
                   -1 :               0.00001788776931
                   +0 :              -0.00060227355286
                   +1 :               0.00066078166294
              6 vec=    10.164004     -3.115567     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00014655867375
                3p
                   -1 :              -0.00020676351824
                   +0 :              -0.00016780693269
                   +1 :              -0.00002735567707
                4s
                   +0 :               0.00013289763004
                5s
                   +0 :               0.00004450189782
                3d
                   -2 :              -0.00022999019654
                   -1 :              -0.00075320217259
                   +0 :               0.00029604576601
                   +1 :              -0.00030130530429
                   +2 :              -0.00039239735919
                4d
                   -2 :               0.00012085592333
                   -1 :               0.00017288785890
                   +0 :               0.00002124722578
                   +1 :               0.00005862537785
                   +2 :               0.00041146056163
                4p
                   -1 :               0.00019317355976
                   +0 :               0.00021731148516
                   +1 :               0.00041198524192
              7 vec=    10.164004      5.868191     -2.510723   |vec|=   12.001932
                3s
                   +0 :              -0.00056620675030
                3p
                   -1 :               0.00004313985809
                   +0 :               0.00007663743935
                   +1 :              -0.00010349248953
                4s
                   +0 :               0.00140840355074
                5s
                   +0 :              -0.00014121580884
                3d
                   -2 :               0.00050161580837
                   -1 :               0.00077500012904
                   +0 :              -0.00026438025088
                   +1 :               0.00002674218087
                   +2 :              -0.00000924518244
                4d
                   -2 :              -0.00021650951161
                   -1 :              -0.00010803029547
                   +0 :              -0.00013026717622
                   +1 :               0.00025462570825
                   +2 :               0.00045298190231
                4p
                   -1 :              -0.00003260785163
                   +0 :               0.00047144508909
                   +1 :               0.00054011662707
              8 vec=   -13.176483      1.376312     -2.510723   |vec|=   13.483979
                3s
                   +0 :              -0.00008182821753
                3p
                   -1 :               0.00012510386370
                   +0 :              -0.00011800621704
                   +1 :               0.00011780221640
                4s
                   +0 :               0.00001164108052
                5s
                   +0 :               0.00004226835330
                3d
                   -2 :              -0.00037075030787
                   -1 :               0.00006172878467
                   +0 :               0.00012822985096
                   +1 :               0.00055463221236
                   +2 :               0.00001512140383
                4d
                   -2 :               0.00013830832704
                   -1 :              -0.00007331424594
                   +0 :               0.00001275624905
                   +1 :              -0.00014778954528
                   +2 :              -0.00001048092618
                4p
                   -1 :              -0.00014233934069
                   +0 :              -0.00001059173067
                   +1 :              -0.00011230453463
              9 vec=    -5.396321    -12.099325     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00010585793592
                3p
                   -1 :              -0.00027812906766
                   +0 :              -0.00045490934400
                   +1 :               0.00035752648452
                4s
                   +0 :               0.00047050977292
                5s
                   +0 :              -0.00003603329917
                3d
                   -2 :              -0.00030116690407
                   -1 :               0.00109006143446
                   +0 :               0.00069331223029
                   +1 :              -0.00044263806449
                   +2 :              -0.00037320971592
                4d
                   -2 :               0.00024229583826
                   -1 :              -0.00003212880674
                   +0 :              -0.00007243736921
                   +1 :               0.00002813106854
                   +2 :               0.00006915296776
                4p
                   -1 :               0.00011015351860
                   +0 :               0.00012398872996
                   +1 :              -0.00061834890447
             10 vec=   -13.176483     -7.607446     -2.510723   |vec|=   15.420658
                3s
                   +0 :               0.00021680574711
                3p
                   -1 :              -0.00010021492792
                   +0 :               0.00001223814814
                   +1 :              -0.00012137862315
                4s
                   +0 :              -0.00026719048057
                5s
                   +0 :              -0.00000571398555
                3d
                   -2 :               0.00005139273126
                   -1 :              -0.00013499294220
                   +0 :              -0.00004837504117
                   +1 :              -0.00005179180407
                   +2 :               0.00003040224235
                4d
                   -2 :              -0.00007837193094
                   -1 :               0.00006735277933
                   +0 :               0.00008641251185
                   +1 :               0.00000896994986
                   +2 :               0.00002726135376
                4p
                   -1 :               0.00017533007512
                   +0 :              -0.00002091285320
                   +1 :               0.00016888029402
             11 vec=    -5.396321     14.851949     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00001539457437
                3p
                   -1 :               0.00000632146440
                   +0 :               0.00003125933422
                   +1 :              -0.00003303546839
                4s
                   +0 :              -0.00014396800172
                5s
                   +0 :               0.00001515111228
                3d
                   -2 :              -0.00002928986530
                   -1 :              -0.00003142864312
                   +0 :              -0.00012341246150
                   +1 :              -0.00013832801230
                   +2 :              -0.00003838861488
                4d
                   -2 :               0.00000374790809
                   -1 :              -0.00003233915924
                   +0 :               0.00001035166004
                   +1 :               0.00001982867831
                   +2 :               0.00001901551693
                4p
                   -1 :              -0.00003932477045
                   +0 :              -0.00009048901524
                   +1 :               0.00001417577079
             12 vec=    10.164004    -12.099325     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00009097806982
                3p
                   -1 :               0.00004224268665
                   +0 :              -0.00005250227926
                   +1 :              -0.00007589175186
                4s
                   +0 :               0.00014329302529
                5s
                   +0 :              -0.00005855859841
                3d
                   -2 :              -0.00000420642568
                   -1 :              -0.00011932941257
                   +0 :              -0.00004472484039
                   +1 :               0.00000063709040
                   +2 :              -0.00006874385658
                4d
                   -2 :              -0.00010254452244
                   -1 :              -0.00010077355202
                   +0 :               0.00000206020464
                   +1 :              -0.00000429484629
                   +2 :               0.00004067657537
                4p
                   -1 :              -0.00008321650870
                   +0 :               0.00014411527075
                   +1 :               0.00012904492020
             13 vec=   -13.176483     10.360070     -2.510723   |vec|=   16.948584
                3s
                   +0 :              -0.00010926806516
                3p
                   -1 :              -0.00004461268904
                   +0 :               0.00004791230669
                   +1 :               0.00003459923708
                4s
                   +0 :               0.00015843932605
                5s
                   +0 :              -0.00000640079245
                3d
                   -2 :              -0.00000150112753
                   -1 :               0.00007380096343
                   +0 :              -0.00005194575489
                   +1 :              -0.00004490283585
                   +2 :               0.00002687393460
                4d
                   -2 :              -0.00004631775791
                   -1 :              -0.00000014739724
                   +0 :              -0.00002165068754
                   +1 :               0.00004823084457
                   +2 :              -0.00000247584358
                4p
                   -1 :               0.00006837247803
                   +0 :              -0.00007135628526
                   +1 :              -0.00009433951202
             14 vec=     2.383842    -16.591204     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00001792560299
                3p
                   -1 :              -0.00000796025946
                   +0 :               0.00000428377858
                   +1 :              -0.00005101250477
                4s
                   +0 :               0.00000227008838
                5s
                   +0 :              -0.00003673970557
                3d
                   -2 :              -0.00000282112122
                   -1 :               0.00011670840276
                   +0 :               0.00009451138308
                   +1 :              -0.00000618871749
                   +2 :               0.00006950919465
                4d
                   -2 :              -0.00008438436214
                   -1 :               0.00006399672816
                   +0 :               0.00002708175176
                   +1 :               0.00006482045833
                   +2 :              -0.00004817104381
                4p
                   -1 :               0.00005575324205
                   +0 :              -0.00008873645813
                   +1 :               0.00012999285323
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al(  4)  npairs=  13
              1 vec=     2.383842      1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00000363202577
                2p
                   -1 :              -0.00007513101399
                   +0 :               0.00002552272125
                   +1 :              -0.00005240961429
                3s
                   +0 :              -0.00104667594650
                4s
                   +0 :               0.00046211782286
                3p
                   -1 :              -0.00002185038697
                   +0 :               0.00118609658692
                   +1 :              -0.00031374184981
                4p
                   -1 :               0.00000330714410
                   +0 :              -0.00058698881824
                   +1 :              -0.00010609843342
                3d
                   -2 :               0.00022175767492
                   -1 :              -0.00004111204402
                   +0 :              -0.00030247094533
                   +1 :               0.00038728778304
                   +2 :               0.00032066290859
              2 vec=    -5.396321     -3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00037590167574
                2p
                   -1 :               0.00010753890339
                   +0 :              -0.00013966831674
                   +1 :              -0.00048751350777
                3s
                   +0 :              -0.00109244809358
                4s
                   +0 :               0.00042474282770
                3p
                   -1 :              -0.00034080013895
                   +0 :               0.00097624656277
                   +1 :               0.00239266544578
                4p
                   -1 :              -0.00007642510800
                   +0 :              -0.00045358016136
                   +1 :              -0.00051777671579
                3d
                   -2 :              -0.00002348766018
                   -1 :               0.00016334275510
                   +0 :              -0.00007703021952
                   +1 :              -0.00036384454842
                   +2 :              -0.00002547571981
              3 vec=    -5.396321      5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00017340567528
                2p
                   -1 :              -0.00000040619322
                   +0 :               0.00002911013723
                   +1 :               0.00002410490528
                3s
                   +0 :               0.00238125177407
                4s
                   +0 :              -0.00014491825606
                3p
                   -1 :               0.00087621614751
                   +0 :              -0.00023110893586
                   +1 :              -0.00122212041862
                4p
                   -1 :               0.00005360120334
                   +0 :               0.00004086355820
                   +1 :               0.00004435243972
                3d
                   -2 :              -0.00043344426557
                   -1 :              -0.00012344861073
                   +0 :              -0.00031916538730
                   +1 :               0.00001893317800
                   +2 :               0.00014269162234
              4 vec=     2.383842     -7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00027943316243
                2p
                   -1 :               0.00043205805455
                   +0 :               0.00014701548400
                   +1 :               0.00007288842258
                3s
                   +0 :               0.00129163440407
                4s
                   +0 :              -0.00037789129043
                3p
                   -1 :              -0.00178565145562
                   +0 :              -0.00087244430876
                   +1 :              -0.00022418657008
                4p
                   -1 :               0.00030401356912
                   +0 :               0.00051739853143
                   +1 :              -0.00008852559080
                3d
                   -2 :              -0.00015225674089
                   -1 :               0.00014916648860
                   +0 :               0.00001856422568
                   +1 :               0.00003227349244
                   +2 :               0.00001840166746
              5 vec=     2.383842     10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00005350335835
                2p
                   -1 :              -0.00011178894513
                   +0 :               0.00002092236242
                   +1 :              -0.00002573928811
                3s
                   +0 :               0.00024928271441
                4s
                   +0 :              -0.00014806633380
                3p
                   -1 :               0.00057124780302
                   +0 :              -0.00019146825535
                   +1 :               0.00035480826261
                4p
                   -1 :              -0.00015937003270
                   +0 :               0.00010644958917
                   +1 :              -0.00000043607979
                3d
                   -2 :               0.00001411857478
                   -1 :              -0.00006914187783
                   +0 :               0.00002701330619
                   +1 :               0.00002543000735
                   +2 :              -0.00010023392570
              6 vec=    10.164004     -3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00001068193567
                2p
                   -1 :               0.00003983020467
                   +0 :               0.00000212461618
                   +1 :               0.00010363045067
                3s
                   +0 :              -0.00018506035688
                4s
                   +0 :              -0.00002954074112
                3p
                   -1 :              -0.00000156218070
                   +0 :               0.00006941294275
                   +1 :              -0.00058625315548
                4p
                   -1 :              -0.00003328640467
                   +0 :              -0.00005191413291
                   +1 :               0.00008436844749
                3d
                   -2 :               0.00006392153140
                   -1 :               0.00003883391487
                   +0 :               0.00005521654657
                   +1 :               0.00017515496686
                   +2 :              -0.00018879899463
              7 vec=     2.383842      1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00000454914457
                2p
                   -1 :              -0.00000339110863
                   +0 :              -0.00000354819356
                   +1 :              -0.00001846172888
                3s
                   +0 :               0.00013234554009
                4s
                   +0 :              -0.00006155061301
                3p
                   -1 :               0.00008847829625
                   +0 :               0.00009613244170
                   +1 :               0.00008285406814
                4p
                   -1 :              -0.00001728896445
                   +0 :              -0.00003526562926
                   +1 :               0.00000089783160
                3d
                   -2 :              -0.00004747043528
                   -1 :               0.00004185484941
                   +0 :               0.00004275325848
                   +1 :               0.00001143211250
                   +2 :               0.00007051283888
              8 vec=    10.164004      5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00036092248894
                2p
                   -1 :              -0.00002980755340
                   +0 :              -0.00007079848536
                   +1 :               0.00022023052161
                3s
                   +0 :              -0.00208698206536
                4s
                   +0 :               0.00024364673243
                3p
                   -1 :              -0.00001831126142
                   +0 :               0.00009999854032
                   +1 :              -0.00141124058055
                4p
                   -1 :              -0.00011290014243
                   +0 :              -0.00011114960071
                   +1 :               0.00019318919443
                3d
                   -2 :              -0.00024638579891
                   -1 :              -0.00008478515780
                   +0 :               0.00020676731936
                   +1 :              -0.00006690771132
                   +2 :              -0.00022469745345
              9 vec=    -5.396321     -3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00010438739496
                2p
                   -1 :              -0.00002881161965
                   +0 :               0.00001541787868
                   +1 :               0.00000988058032
                3s
                   +0 :              -0.00036851411742
                4s
                   +0 :               0.00007868769584
                3p
                   -1 :               0.00008178511658
                   +0 :              -0.00003945386111
                   +1 :              -0.00016496477834
                4p
                   -1 :              -0.00001706095928
                   +0 :              -0.00000875869206
                   +1 :               0.00001803373887
                3d
                   -2 :              -0.00002283946683
                   -1 :              -0.00003009822737
                   +0 :               0.00004205823002
                   +1 :              -0.00005366856755
                   +2 :              -0.00004905129991
             10 vec=   -13.176483      1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00006473898190
                2p
                   -1 :              -0.00000774474030
                   +0 :               0.00002076091689
                   +1 :               0.00001886197705
                3s
                   +0 :               0.00034605414503
                4s
                   +0 :              -0.00011899114849
                3p
                   -1 :              -0.00004348698131
                   +0 :              -0.00009145654305
                   +1 :              -0.00015757354512
                4p
                   -1 :               0.00001732152054
                   +0 :               0.00005853839758
                   +1 :               0.00005526162142
                3d
                   -2 :              -0.00002326432129
                   -1 :              -0.00003131472660
                   +0 :              -0.00001323418920
                   +1 :               0.00000814200589
                   +2 :               0.00000128070562
             11 vec=    -5.396321    -12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00019472384396
                2p
                   -1 :               0.00019194857094
                   +0 :               0.00003953352374
                   +1 :               0.00005868872199
                3s
                   +0 :               0.00055704930313
                4s
                   +0 :              -0.00012317538550
                3p
                   -1 :              -0.00077766267519
                   +0 :              -0.00015531563709
                   +1 :              -0.00034880822073
                4p
                   -1 :               0.00013062060873
                   +0 :               0.00001649495157
                   +1 :               0.00010730789709
                3d
                   -2 :               0.00010418170402
                   -1 :               0.00013974882665
                   +0 :              -0.00000654580660
                   +1 :               0.00001619819684
                   +2 :              -0.00005702398345
             12 vec=    -5.396321      5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00002776358181
                2p
                   -1 :               0.00000920893561
                   +0 :              -0.00000747775449
                   +1 :               0.00004031423386
                3s
                   +0 :              -0.00008925871815
                4s
                   +0 :               0.00003180991890
                3p
                   -1 :              -0.00025630645317
                   +0 :              -0.00015327896144
                   +1 :              -0.00022404503441
                4p
                   -1 :               0.00003003962302
                   +0 :               0.00002357874340
                   +1 :               0.00004001971847
                3d
                   -2 :               0.00005180029482
                   -1 :              -0.00008034118096
                   +0 :              -0.00008087394388
                   +1 :               0.00000327507180
                   +2 :               0.00000673888681
             13 vec=     2.383842     -7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00016043608251
                2p
                   -1 :              -0.00001654593764
                   +0 :               0.00004474160645
                   +1 :               0.00001173478388
                3s
                   +0 :              -0.00058770562868
                4s
                   +0 :               0.00012251164287
                3p
                   -1 :               0.00014783985416
                   +0 :              -0.00022021478978
                   +1 :              -0.00023589171705
                4p
                   -1 :              -0.00004218358732
                   +0 :               0.00002708876443
                   +1 :               0.00001682070611
                3d
                   -2 :               0.00010437295254
                   -1 :               0.00003181496375
                   +0 :               0.00004348011487
                   +1 :              -0.00003284385252
                   +2 :              -0.00001617696140
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al(  5)  npairs=  15
              1 vec=    -0.209546     -3.115567     10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00073894383350
                2p
                   -1 :               0.00002371130417
                   +0 :              -0.00025122080586
                   +1 :              -0.00014050572125
                3s
                   +0 :               0.00201715709989
                4s
                   +0 :              -0.00043958688131
                3p
                   -1 :              -0.00133529670377
                   +0 :               0.00116255040157
                   +1 :               0.00060971162196
                4p
                   -1 :               0.00009810365171
                   +0 :              -0.00024212829443
                   +1 :              -0.00009239339845
                3d
                   -2 :               0.00006772834250
                   -1 :              -0.00044304144440
                   +0 :              -0.00033050234022
                   +1 :               0.00019531508018
                   +2 :              -0.00004137818972
              2 vec=    -0.209546      5.868191     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00000830213485
                2p
                   -1 :               0.00005868869251
                   +0 :               0.00003816519309
                   +1 :               0.00013991104999
                3s
                   +0 :               0.00071533436104
                4s
                   +0 :              -0.00016780291918
                3p
                   -1 :              -0.00018993788494
                   +0 :              -0.00002518231882
                   +1 :              -0.00060191976457
                4p
                   -1 :               0.00003454012508
                   +0 :              -0.00005504062581
                   +1 :               0.00025188946784
                3d
                   -2 :               0.00003729702825
                   -1 :              -0.00012732108860
                   +0 :              -0.00028113752416
                   +1 :              -0.00007663816885
                   +2 :               0.00025181437356
              3 vec=     7.570617      1.376312     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00026878270581
                2p
                   -1 :               0.00005415947448
                   +0 :              -0.00015902225774
                   +1 :              -0.00027607506696
                3s
                   +0 :              -0.00015059997761
                4s
                   +0 :              -0.00012198108982
                3p
                   -1 :              -0.00085889233387
                   +0 :              -0.00006426488708
                   +1 :               0.00038015118586
                4p
                   -1 :               0.00021435553386
                   +0 :              -0.00010842300494
                   +1 :              -0.00016520713560
                3d
                   -2 :              -0.00021262520170
                   -1 :              -0.00018891058015
                   +0 :               0.00003698725210
                   +1 :              -0.00002532950844
                   +2 :               0.00006613790617
              4 vec=    -7.989708      1.376312     10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00014398214429
                2p
                   -1 :              -0.00021348377271
                   +0 :              -0.00005318025310
                   +1 :               0.00003020963791
                3s
                   +0 :              -0.00180393953167
                4s
                   +0 :               0.00018907198346
                3p
                   -1 :               0.00058710978557
                   +0 :              -0.00048503673246
                   +1 :               0.00088452155882
                4p
                   -1 :              -0.00021578125027
                   +0 :              -0.00012396829057
                   +1 :              -0.00009604200795
                3d
                   -2 :               0.00015151125389
                   -1 :               0.00009296273974
                   +0 :               0.00014817284335
                   +1 :               0.00027089729869
                   +2 :              -0.00024983351130
              5 vec=    -0.209546     -3.115567    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00018685662293
                2p
                   -1 :               0.00010761492558
                   +0 :              -0.00000065637775
                   +1 :              -0.00003208021369
                3s
                   +0 :               0.00054044990043
                4s
                   +0 :              -0.00012304420123
                3p
                   -1 :              -0.00045386350906
                   +0 :               0.00004412935747
                   +1 :               0.00024113094784
                4p
                   -1 :               0.00010141199257
                   +0 :              -0.00001344586257
                   +1 :              -0.00008364827953
                3d
                   -2 :               0.00006857242257
                   -1 :              -0.00002061079397
                   +0 :              -0.00006410486216
                   +1 :               0.00001668504071
                   +2 :               0.00005102010392
              6 vec=    -0.209546      5.868191    -13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00001643795297
                2p
                   -1 :              -0.00002260744118
                   +0 :               0.00004093865469
                   +1 :              -0.00000921510400
                3s
                   +0 :               0.00016499917550
                4s
                   +0 :              -0.00008794429632
                3p
                   -1 :               0.00000655887453
                   +0 :              -0.00028594057415
                   +1 :               0.00015575141906
                4p
                   -1 :              -0.00003590508449
                   +0 :               0.00010379471485
                   +1 :              -0.00002757699798
                3d
                   -2 :              -0.00000481718497
                   -1 :              -0.00004189372856
                   +0 :               0.00004162345662
                   +1 :              -0.00001694281979
                   +2 :               0.00002887810795
              7 vec=     7.570617     -7.607446     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00012067804973
                2p
                   -1 :               0.00005467574718
                   +0 :              -0.00008125988845
                   +1 :              -0.00004089583086
                3s
                   +0 :               0.00078497748547
                4s
                   +0 :              -0.00027797803523
                3p
                   -1 :              -0.00039435745195
                   +0 :               0.00059540552068
                   +1 :               0.00041020290037
                4p
                   -1 :               0.00009252105162
                   +0 :              -0.00013862718604
                   +1 :              -0.00014088963369
                3d
                   -2 :              -0.00010999488239
                   -1 :              -0.00009037508117
                   +0 :               0.00008499007114
                   +1 :               0.00011837532460
                   +2 :               0.00001900116170
              8 vec=    -7.989708     -7.607446     10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00010360243799
                2p
                   -1 :              -0.00000427624796
                   +0 :              -0.00000998706080
                   +1 :               0.00001339785924
                3s
                   +0 :              -0.00043119926501
                4s
                   +0 :              -0.00000822331328
                3p
                   -1 :              -0.00004744265120
                   +0 :               0.00006366437585
                   +1 :              -0.00022249801338
                4p
                   -1 :               0.00007299570232
                   +0 :              -0.00005438086469
                   +1 :               0.00011460806664
                3d
                   -2 :               0.00009440161438
                   -1 :              -0.00003298081773
                   +0 :              -0.00001722697298
                   +1 :              -0.00002770386338
                   +2 :               0.00004433783643
              9 vec=     7.570617      1.376312    -13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00007997507692
                2p
                   -1 :              -0.00007094638333
                   +0 :              -0.00010308434141
                   +1 :               0.00002923199138
                3s
                   +0 :              -0.00043779123916
                4s
                   +0 :               0.00015466369183
                3p
                   -1 :               0.00036665493406
                   +0 :               0.00063082574331
                   +1 :               0.00011331762425
                4p
                   -1 :              -0.00013346645794
                   +0 :              -0.00019828316743
                   +1 :              -0.00002914088981
                3d
                   -2 :              -0.00007611998701
                   -1 :              -0.00001129690900
                   +0 :              -0.00012339699333
                   +1 :               0.00002115277999
                   +2 :               0.00005243336653
             10 vec=    -7.989708      1.376312    -13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00008648576553
                2p
                   -1 :               0.00004095908356
                   +0 :              -0.00003346859093
                   +1 :              -0.00003040743882
                3s
                   +0 :               0.00032641561504
                4s
                   +0 :               0.00002986659680
                3p
                   -1 :              -0.00038818439552
                   +0 :               0.00001975211862
                   +1 :              -0.00022416200869
                4p
                   -1 :               0.00002071074573
                   +0 :               0.00002018528846
                   +1 :               0.00002457023198
                3d
                   -2 :               0.00005344701193
                   -1 :              -0.00000409007420
                   +0 :              -0.00006726509454
                   +1 :              -0.00002329170011
                   +2 :               0.00003717940422
             11 vec=    -0.209546    -12.099325     10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00033875051120
                2p
                   -1 :               0.00016628985595
                   +0 :              -0.00013994036079
                   +1 :               0.00003251785256
                3s
                   +0 :               0.00102743310114
                4s
                   +0 :              -0.00036180809092
                3p
                   -1 :              -0.00070687989484
                   +0 :               0.00063435307498
                   +1 :              -0.00016595886105
                4p
                   -1 :               0.00013728250678
                   +0 :              -0.00018816583061
                   +1 :               0.00003508198571
                3d
                   -2 :               0.00006206176200
                   -1 :              -0.00015690968315
                   +0 :               0.00005528420256
                   +1 :              -0.00001113284748
                   +2 :              -0.00002778782401
             12 vec=     7.570617     10.360070     10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00003710428160
                2p
                   -1 :              -0.00000653293988
                   +0 :               0.00000988099893
                   +1 :               0.00001085453472
                3s
                   +0 :               0.00038860168078
                4s
                   +0 :               0.00000102212656
                3p
                   -1 :               0.00006477618401
                   +0 :               0.00007016891703
                   +1 :               0.00005797251619
                4p
                   -1 :               0.00000748770883
                   +0 :               0.00003054640461
                   +1 :               0.00001964695232
                3d
                   -2 :               0.00004385226810
                   -1 :               0.00002911341729
                   +0 :               0.00000471556251
                   +1 :               0.00001806544029
                   +2 :               0.00003106104042
             13 vec=    -7.989708     10.360070     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00014954145326
                2p
                   -1 :              -0.00002821023881
                   +0 :              -0.00005329076551
                   +1 :               0.00005184075452
                3s
                   +0 :               0.00059390357687
                4s
                   +0 :              -0.00012565436543
                3p
                   -1 :               0.00011713983176
                   +0 :               0.00034771613884
                   +1 :              -0.00026254392148
                4p
                   -1 :              -0.00001216353465
                   +0 :              -0.00005704463878
                   +1 :               0.00003606277076
                3d
                   -2 :              -0.00003361259107
                   -1 :               0.00003333057637
                   +0 :               0.00004975700724
                   +1 :              -0.00005471369880
                   +2 :               0.00000027271433
             14 vec=     7.570617     -7.607446    -13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00008859392874
                2p
                   -1 :              -0.00001064057471
                   +0 :              -0.00001049900699
                   +1 :               0.00005386717885
                3s
                   +0 :              -0.00000538388537
                4s
                   +0 :               0.00005781549172
                3p
                   -1 :              -0.00001211988244
                   +0 :               0.00000529545078
                   +1 :              -0.00007647302349
                4p
                   -1 :               0.00000237330436
                   +0 :               0.00001286134684
                   +1 :               0.00004665616222
                3d
                   -2 :              -0.00002280735114
                   -1 :               0.00000718201711
                   +0 :               0.00000373030165
                   +1 :               0.00002222299711
                   +2 :              -0.00003606351993
             15 vec=    -7.989708     -7.607446    -13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00012790729429
                2p
                   -1 :               0.00006047347232
                   +0 :               0.00002695368433
                   +1 :               0.00005057542286
                3s
                   +0 :               0.00036149367441
                4s
                   +0 :              -0.00008438690832
                3p
                   -1 :              -0.00026167436052
                   +0 :              -0.00011136197411
                   +1 :              -0.00018256681660
                4p
                   -1 :               0.00006062181635
                   +0 :               0.00001584661377
                   +1 :               0.00002666387734
                3d
                   -2 :               0.00005413028549
                   -1 :               0.00001544280547
                   +0 :              -0.00001060916299
                   +1 :               0.00002520313897
                   +2 :              -0.00001593813776
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al(  6)  npairs=  13
              1 vec=    -0.209546     -3.115567     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00080035718519
                2p
                   -1 :              -0.00042183897686
                   +0 :              -0.00101003282111
                   +1 :               0.00010243524347
                3s
                   +0 :              -0.00007901188193
                4s
                   +0 :               0.00145396123442
                3p
                   -1 :               0.00282093228988
                   +0 :              -0.00054226795816
                   +1 :              -0.00224279718713
                4p
                   -1 :              -0.00116218052527
                   +0 :              -0.00093495333733
                   +1 :               0.00017672178059
                3d
                   -2 :               0.00004878016229
                   -1 :               0.00099067839399
                   +0 :               0.00108900452101
                   +1 :               0.00010748950780
                   +2 :               0.00035775282450
              2 vec=    -0.209546      5.868191     -6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00078219002623
                2p
                   -1 :               0.00019774285346
                   +0 :              -0.00006295324971
                   +1 :              -0.00010211564125
                3s
                   +0 :               0.01133080967290
                4s
                   +0 :              -0.00082080867793
                3p
                   -1 :               0.00367472383321
                   +0 :              -0.00504519598716
                   +1 :               0.00140693094472
                4p
                   -1 :               0.00069009013538
                   +0 :              -0.00008072614327
                   +1 :              -0.00022693962509
                3d
                   -2 :               0.00068989355273
                   -1 :              -0.00204878753288
                   +0 :               0.00025502303718
                   +1 :              -0.00055130146377
                   +2 :              -0.00135227180397
              3 vec=     7.570617      1.376312     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00221099490545
                2p
                   -1 :              -0.00007039214610
                   +0 :               0.00071930679606
                   +1 :              -0.00100858254295
                3s
                   +0 :               0.00955883349431
                4s
                   +0 :              -0.00324954133717
                3p
                   -1 :               0.00106206544468
                   +0 :              -0.00561318757882
                   +1 :               0.00747358624312
                4p
                   -1 :              -0.00012973932277
                   +0 :               0.00132550503145
                   +1 :              -0.00146122269222
                3d
                   -2 :              -0.00013862217968
                   -1 :              -0.00058036287092
                   +0 :               0.00014722070619
                   +1 :              -0.00159895606841
                   +2 :               0.00146209958101
              4 vec=    -7.989708      1.376312     -6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00105092576798
                2p
                   -1 :              -0.00003152547115
                   +0 :               0.00017226545283
                   +1 :               0.00034040113172
                3s
                   +0 :               0.00434235948133
                4s
                   +0 :              -0.00119903666887
                3p
                   -1 :              -0.00056312453853
                   +0 :              -0.00194751269940
                   +1 :              -0.00221541145595
                4p
                   -1 :               0.00002744408604
                   +0 :               0.00034379318052
                   +1 :               0.00053962167257
                3d
                   -2 :               0.00027263071983
                   -1 :               0.00041257263931
                   +0 :              -0.00003471029440
                   +1 :               0.00056067022957
                   +2 :               0.00040270076883
              5 vec=     7.570617     -7.607446     -6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00018767939694
                2p
                   -1 :               0.00012332754700
                   +0 :               0.00001823948523
                   +1 :              -0.00008399420880
                3s
                   +0 :              -0.00004123959873
                4s
                   +0 :               0.00006753333381
                3p
                   -1 :              -0.00030970835610
                   +0 :               0.00014927591998
                   +1 :               0.00001803975209
                4p
                   -1 :               0.00012694355962
                   +0 :              -0.00002010654064
                   +1 :              -0.00001706468477
                3d
                   -2 :               0.00018493261905
                   -1 :              -0.00010153627916
                   +0 :               0.00006850343778
                   +1 :              -0.00002575957852
                   +2 :               0.00005934121980
              6 vec=    -7.989708     -7.607446     -6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00104332458979
                2p
                   -1 :              -0.00029577441529
                   +0 :              -0.00025604152411
                   +1 :              -0.00019094985343
                3s
                   +0 :              -0.00462371905456
                4s
                   +0 :               0.00141973506934
                3p
                   -1 :               0.00184653013093
                   +0 :               0.00222476128051
                   +1 :               0.00134523649464
                4p
                   -1 :              -0.00049434477598
                   +0 :              -0.00059518588120
                   +1 :              -0.00018233254987
                3d
                   -2 :              -0.00028931700194
                   -1 :              -0.00037812349959
                   +0 :              -0.00018523972720
                   +1 :              -0.00036976279850
                   +2 :               0.00006322031898
              7 vec=    -0.209546    -12.099325     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00064499142554
                2p
                   -1 :              -0.00030347167150
                   +0 :              -0.00021577782619
                   +1 :              -0.00036366228502
                3s
                   +0 :              -0.00331802113609
                4s
                   +0 :               0.00122760621525
                3p
                   -1 :               0.00247935991067
                   +0 :               0.00162280971033
                   +1 :               0.00182777587271
                4p
                   -1 :              -0.00076142001922
                   +0 :              -0.00044297083420
                   +1 :              -0.00032291276122
                3d
                   -2 :              -0.00013190041543
                   -1 :              -0.00034061653383
                   +0 :              -0.00006442399634
                   +1 :              -0.00021096781250
                   +2 :               0.00014853268532
              8 vec=     7.570617     10.360070     -6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00014045036565
                2p
                   -1 :              -0.00001572344460
                   +0 :               0.00002401144387
                   +1 :               0.00008478368636
                3s
                   +0 :              -0.00114630334350
                4s
                   +0 :               0.00021320571534
                3p
                   -1 :              -0.00011260348228
                   +0 :               0.00033012060340
                   +1 :              -0.00026965934368
                4p
                   -1 :               0.00000089843637
                   +0 :              -0.00000035011982
                   +1 :               0.00015020606970
                3d
                   -2 :               0.00003099310102
                   -1 :               0.00011947711389
                   +0 :              -0.00023555163607
                   +1 :              -0.00005519663160
                   +2 :              -0.00004380192083
              9 vec=    -7.989708     10.360070     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00009066744867
                2p
                   -1 :              -0.00003884724230
                   +0 :              -0.00000540072157
                   +1 :              -0.00004419506104
                3s
                   +0 :               0.00037390803621
                4s
                   +0 :              -0.00005842576864
                3p
                   -1 :               0.00012323301829
                   +0 :               0.00013387214944
                   +1 :               0.00008800570786
                4p
                   -1 :               0.00000553414324
                   +0 :              -0.00001537831540
                   +1 :              -0.00010385423485
                3d
                   -2 :               0.00004831306600
                   -1 :               0.00002135938016
                   +0 :              -0.00010558201505
                   +1 :               0.00003955623857
                   +2 :              -0.00009754796671
             10 vec=    -0.209546     14.851949     -6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00016747513023
                2p
                   -1 :              -0.00005827437559
                   +0 :               0.00006446037264
                   +1 :               0.00003603275028
                3s
                   +0 :               0.00077397008566
                4s
                   +0 :              -0.00013578487723
                3p
                   -1 :               0.00035008699962
                   +0 :              -0.00042044022141
                   +1 :              -0.00015977919630
                4p
                   -1 :              -0.00004000385287
                   +0 :               0.00006806023984
                   +1 :               0.00006314793403
                3d
                   -2 :              -0.00004483956908
                   -1 :              -0.00009767360786
                   +0 :               0.00004642903876
                   +1 :               0.00002396859842
                   +2 :              -0.00001717513952
             11 vec=    15.350780     -3.115567     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00000915553100
                2p
                   -1 :              -0.00000803259146
                   +0 :              -0.00000073766220
                   +1 :               0.00000628328064
                3s
                   +0 :              -0.00021408802740
                4s
                   +0 :               0.00003964983053
                3p
                   -1 :               0.00007365559647
                   +0 :               0.00004379588659
                   +1 :              -0.00011369537211
                4p
                   -1 :              -0.00003142510734
                   +0 :               0.00001730723621
                   +1 :               0.00002567797766
                3d
                   -2 :               0.00003288915508
                   -1 :               0.00002048659322
                   +0 :              -0.00001033697736
                   +1 :               0.00003708496178
                   +2 :              -0.00000067538397
             12 vec=   -15.769871     -3.115567     -6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00001733500098
                2p
                   -1 :               0.00001746271959
                   +0 :               0.00001679439501
                   +1 :               0.00000979485795
                3s
                   +0 :               0.00013445839222
                4s
                   +0 :              -0.00005407772731
                3p
                   -1 :              -0.00011660427476
                   +0 :              -0.00011682213752
                   +1 :              -0.00006893821539
                4p
                   -1 :               0.00002424181879
                   +0 :               0.00003241557124
                   +1 :               0.00003183646619
                3d
                   -2 :               0.00001289184189
                   -1 :               0.00000417501376
                   +0 :               0.00002200378447
                   +1 :               0.00001468954304
                   +2 :              -0.00000559398179
             13 vec=    15.350780      5.868191     -6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00002281879125
                2p
                   -1 :               0.00001805023920
                   +0 :               0.00002045627679
                   +1 :              -0.00002564102038
                3s
                   +0 :              -0.00009601093184
                4s
                   +0 :              -0.00003802921859
                3p
                   -1 :              -0.00011210075624
                   +0 :              -0.00015158177358
                   +1 :               0.00013982063199
                4p
                   -1 :              -0.00002597623291
                   +0 :               0.00005073323750
                   +1 :              -0.00003369748013
                3d
                   -2 :              -0.00001560725131
                   -1 :               0.00000857951525
                   +0 :              -0.00002983592667
                   +1 :              -0.00000013586672
                   +2 :               0.00001949335383
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al(  7)  npairs=  14
              1 vec=    -0.209546     -3.115567      5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00251681492555
                2p
                   -1 :              -0.00085891691791
                   +0 :               0.00198509943733
                   +1 :              -0.00042466771698
                3s
                   +0 :              -0.00766088493671
                4s
                   +0 :               0.00502337949513
                3p
                   -1 :               0.00381201765611
                   +0 :              -0.01447556083229
                   +1 :               0.00037370660028
                4p
                   -1 :              -0.00115033633123
                   +0 :               0.00604502792356
                   +1 :              -0.00006544456422
                3d
                   -2 :              -0.00037810466702
                   -1 :               0.00176616868120
                   +0 :              -0.00394451469800
                   +1 :              -0.00007497875497
                   +2 :               0.00178391771852
              2 vec=    -0.209546      5.868191      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00016428891911
                2p
                   -1 :               0.00000307442972
                   +0 :              -0.00060174547313
                   +1 :               0.00022286089073
                3s
                   +0 :               0.00490064955727
                4s
                   +0 :              -0.00005859484163
                3p
                   -1 :               0.00302660949721
                   +0 :               0.00121282809679
                   +1 :              -0.00054621367867
                4p
                   -1 :               0.00037807143998
                   +0 :              -0.00078785460493
                   +1 :               0.00006517998656
                3d
                   -2 :               0.00041196086038
                   -1 :              -0.00053819999988
                   +0 :              -0.00178346844199
                   +1 :              -0.00006135872897
                   +2 :              -0.00177492864118
              3 vec=     7.570617      1.376312      5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00054162135883
                2p
                   -1 :              -0.00001647761466
                   +0 :              -0.00031526261494
                   +1 :              -0.00086329223695
                3s
                   +0 :               0.00363065948421
                4s
                   +0 :              -0.00118952795959
                3p
                   -1 :               0.00153801928697
                   +0 :               0.00178145026508
                   +1 :               0.00499906385253
                4p
                   -1 :              -0.00073293506067
                   +0 :              -0.00040076978811
                   +1 :              -0.00139354333168
                3d
                   -2 :              -0.00003197508946
                   -1 :               0.00023409136157
                   +0 :              -0.00000822733162
                   +1 :               0.00075925144241
                   +2 :               0.00054104421678
              4 vec=    -7.989708      1.376312      5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00014043765700
                2p
                   -1 :              -0.00060640121306
                   +0 :              -0.00043021746537
                   +1 :               0.00006129513232
                3s
                   +0 :              -0.00024725650153
                4s
                   +0 :              -0.00026024056031
                3p
                   -1 :               0.00283991751529
                   +0 :               0.00222726665150
                   +1 :              -0.00065051155848
                4p
                   -1 :              -0.00057056928769
                   +0 :              -0.00073205434357
                   +1 :               0.00060333524752
                3d
                   -2 :              -0.00018526187097
                   -1 :               0.00009449619425
                   +0 :               0.00030803570497
                   +1 :              -0.00065015914188
                   +2 :               0.00016196429983
              5 vec=     7.570617     -7.607446      5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00032793969958
                2p
                   -1 :              -0.00001390666290
                   +0 :              -0.00004948863149
                   +1 :              -0.00023139366257
                3s
                   +0 :               0.00082440793710
                4s
                   +0 :              -0.00018099914644
                3p
                   -1 :               0.00023164290973
                   +0 :               0.00024815830542
                   +1 :               0.00094027873988
                4p
                   -1 :              -0.00015139306816
                   +0 :              -0.00011363585256
                   +1 :              -0.00021190102834
                3d
                   -2 :              -0.00001998173947
                   -1 :              -0.00000796538296
                   +0 :              -0.00006113460017
                   +1 :               0.00020092162686
                   +2 :               0.00010807526391
              6 vec=    -7.989708     -7.607446      5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00010934492202
                2p
                   -1 :               0.00015346809728
                   +0 :              -0.00000234010156
                   +1 :              -0.00007726211146
                3s
                   +0 :              -0.00038510241638
                4s
                   +0 :              -0.00013444340316
                3p
                   -1 :              -0.00056294843038
                   +0 :              -0.00002502049365
                   +1 :               0.00094498477852
                4p
                   -1 :               0.00021162048388
                   +0 :               0.00000147428511
                   +1 :              -0.00008557793933
                3d
                   -2 :              -0.00018217048419
                   -1 :              -0.00009787860637
                   +0 :               0.00007141895655
                   +1 :              -0.00000167036963
                   +2 :              -0.00013083159282
              7 vec=    -0.209546    -12.099325      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00015944813871
                2p
                   -1 :               0.00000617335625
                   +0 :               0.00001590371967
                   +1 :               0.00011050043593
                3s
                   +0 :               0.00032568172334
                4s
                   +0 :              -0.00016660675786
                3p
                   -1 :              -0.00017066868976
                   +0 :              -0.00005924604355
                   +1 :              -0.00049316914911
                4p
                   -1 :               0.00012146174637
                   +0 :               0.00004785974933
                   +1 :               0.00007949768467
                3d
                   -2 :               0.00005053292914
                   -1 :               0.00002757911461
                   +0 :              -0.00010409451896
                   +1 :               0.00007072466222
                   +2 :               0.00009740069390
              8 vec=     7.570617     10.360070      5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00003246316328
                2p
                   -1 :               0.00001694403639
                   +0 :               0.00000699268311
                   +1 :               0.00007777915574
                3s
                   +0 :               0.00031318903231
                4s
                   +0 :              -0.00009632983032
                3p
                   -1 :               0.00008666519387
                   +0 :               0.00001869911475
                   +1 :              -0.00042533944226
                4p
                   -1 :              -0.00002409488670
                   +0 :              -0.00000647252154
                   +1 :               0.00009863117641
                3d
                   -2 :              -0.00007685244247
                   -1 :              -0.00005782696507
                   +0 :               0.00003245144956
                   +1 :              -0.00014264098469
                   +2 :              -0.00003958256371
              9 vec=    -7.989708     10.360070      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00006063947977
                2p
                   -1 :               0.00008449774571
                   +0 :               0.00005462374771
                   +1 :              -0.00003346954690
                3s
                   +0 :               0.00043599153052
                4s
                   +0 :              -0.00011529587070
                3p
                   -1 :              -0.00041111409907
                   +0 :              -0.00016417190359
                   +1 :               0.00006894080424
                4p
                   -1 :               0.00008993830622
                   +0 :              -0.00001479694173
                   +1 :               0.00001766208583
                3d
                   -2 :               0.00013280373954
                   -1 :              -0.00005475066409
                   +0 :               0.00005103222038
                   +1 :               0.00015658635613
                   +2 :               0.00013587024192
             10 vec=    -0.209546     14.851949      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00015829695989
                2p
                   -1 :               0.00013738684479
                   +0 :               0.00000362675381
                   +1 :               0.00001723871980
                3s
                   +0 :              -0.00036630848013
                4s
                   +0 :               0.00015485136712
                3p
                   -1 :              -0.00063744896809
                   +0 :               0.00012073396059
                   +1 :              -0.00005947385939
                4p
                   -1 :               0.00014987214488
                   +0 :              -0.00006600014524
                   +1 :               0.00002963256582
                3d
                   -2 :              -0.00002822710467
                   -1 :              -0.00005314173272
                   +0 :               0.00008199026576
                   +1 :              -0.00000019411713
                   +2 :               0.00013831662700
             11 vec=    15.350780     -3.115567      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00002688725890
                2p
                   -1 :              -0.00001053863678
                   +0 :               0.00003654885285
                   +1 :               0.00002746923623
                3s
                   +0 :               0.00006555329494
                4s
                   +0 :              -0.00005160822881
                3p
                   -1 :               0.00009643199141
                   +0 :              -0.00018979514238
                   +1 :              -0.00016284571868
                4p
                   -1 :              -0.00001999307463
                   +0 :               0.00002985070597
                   +1 :               0.00001524268202
                3d
                   -2 :               0.00005021692622
                   -1 :               0.00001998360039
                   +0 :               0.00001144000484
                   +1 :              -0.00006919889658
                   +2 :              -0.00003942211594
             12 vec=   -15.769871     -3.115567      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00004689142826
                2p
                   -1 :               0.00002139555940
                   +0 :               0.00000797476236
                   +1 :              -0.00002772805284
                3s
                   +0 :              -0.00036794725506
                4s
                   +0 :               0.00007162824902
                3p
                   -1 :              -0.00008051576813
                   +0 :              -0.00010562048244
                   +1 :               0.00021299200654
                4p
                   -1 :               0.00005108743484
                   +0 :               0.00002167742808
                   +1 :              -0.00004985716125
                3d
                   -2 :              -0.00003806776593
                   -1 :               0.00002677545104
                   +0 :              -0.00002014844242
                   +1 :               0.00005582362424
                   +2 :              -0.00001399458131
             13 vec=    15.350780      5.868191      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00000580044763
                2p
                   -1 :              -0.00002548745216
                   +0 :              -0.00001078259670
                   +1 :              -0.00001108707943
                3s
                   +0 :               0.00006219817119
                4s
                   +0 :              -0.00005144104461
                3p
                   -1 :               0.00019417518125
                   +0 :               0.00003256024517
                   +1 :               0.00010025340210
                4p
                   -1 :              -0.00005628740894
                   +0 :              -0.00001064867888
                   +1 :              -0.00004318688855
                3d
                   -2 :               0.00002990310971
                   -1 :               0.00001638651789
                   +0 :               0.00001650293074
                   +1 :               0.00001225925297
                   +2 :               0.00000534327300
             14 vec=   -15.769871      5.868191      5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00001964434630
                2p
                   -1 :              -0.00001438169341
                   +0 :              -0.00001133699194
                   +1 :              -0.00000205254835
                3s
                   +0 :              -0.00000821651679
                4s
                   +0 :              -0.00002585871217
                3p
                   -1 :               0.00002429588962
                   +0 :               0.00004578074044
                   +1 :              -0.00007529691902
                4p
                   -1 :              -0.00000196817285
                   +0 :               0.00000172880438
                   +1 :               0.00003717136062
                3d
                   -2 :              -0.00000026862982
                   -1 :               0.00001786157717
                   +0 :               0.00000023866352
                   +1 :              -0.00000152087063
                   +2 :               0.00000203909432
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al(  8)  npairs=  14
              1 vec=    -0.209546     -3.115567     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.04401372425996
                2p
                   -1 :               0.04156683338128
                   +0 :               0.02767562075746
                   +1 :               0.00185521722379
                3s
                   +0 :              -0.11045446479523
                4s
                   +0 :              -0.01346991126794
                3p
                   -1 :               0.06770211952162
                   +0 :               0.05624126931112
                   +1 :               0.01664220804258
                4p
                   -1 :               0.02235351913767
                   +0 :               0.01268436517148
                   +1 :              -0.00233470483120
                3d
                   -2 :              -0.00684912875022
                   -1 :              -0.05926338442975
                   +0 :              -0.00607267382451
                   +1 :              -0.00322548457706
                   +2 :               0.03561325721405
              2 vec=    -0.209546      5.868191     -1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00379814076557
                2p
                   -1 :              -0.00301792782589
                   +0 :               0.00180964347669
                   +1 :              -0.00043654240548
                3s
                   +0 :               0.00633789275858
                4s
                   +0 :              -0.00591381786678
                3p
                   -1 :               0.01081115259324
                   +0 :              -0.00825317165888
                   +1 :               0.00290648273490
                4p
                   -1 :              -0.00384218150486
                   +0 :               0.00277578975096
                   +1 :              -0.00111034379029
                3d
                   -2 :               0.00086945580578
                   -1 :              -0.00256057852566
                   +0 :              -0.00255660281093
                   +1 :              -0.00055632188988
                   +2 :              -0.00384300049826
              3 vec=     7.570617      1.376312     -1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00084423320524
                2p
                   -1 :               0.00016140850851
                   +0 :              -0.00075079547816
                   +1 :              -0.00036344833348
                3s
                   +0 :               0.00091007100789
                4s
                   +0 :              -0.00078498465470
                3p
                   -1 :              -0.00009154218288
                   +0 :               0.00370096301971
                   +1 :               0.00038913506373
                4p
                   -1 :              -0.00026883363755
                   +0 :              -0.00063113999442
                   +1 :              -0.00083776351476
                3d
                   -2 :              -0.00085554673442
                   -1 :               0.00077012084640
                   +0 :               0.00034554114749
                   +1 :               0.00202097244904
                   +2 :              -0.00020570781914
              4 vec=    -7.989708      1.376312     -1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00018236845902
                2p
                   -1 :              -0.00051814315548
                   +0 :               0.00025539362623
                   +1 :              -0.00018558422302
                3s
                   +0 :              -0.00090866146199
                4s
                   +0 :              -0.00056851666195
                3p
                   -1 :               0.00133741109508
                   +0 :               0.00022753588987
                   +1 :               0.00273361431994
                4p
                   -1 :              -0.00082414120091
                   +0 :               0.00036251251417
                   +1 :               0.00001247460776
                3d
                   -2 :               0.00038437512906
                   -1 :              -0.00010391491943
                   +0 :               0.00043130675703
                   +1 :              -0.00087999025187
                   +2 :              -0.00091353131852
              5 vec=     7.570617     -7.607446     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00013841945668
                2p
                   -1 :              -0.00041644231897
                   +0 :               0.00002958228574
                   +1 :               0.00015970241550
                3s
                   +0 :               0.00003565845891
                4s
                   +0 :               0.00052436034466
                3p
                   -1 :               0.00102768629809
                   +0 :               0.00028139039674
                   +1 :              -0.00170776998903
                4p
                   -1 :              -0.00032276656529
                   +0 :              -0.00007019308628
                   +1 :               0.00041518845670
                3d
                   -2 :               0.00072879353719
                   -1 :              -0.00012575743243
                   +0 :               0.00036439921253
                   +1 :               0.00033111864004
                   +2 :               0.00033844923692
              6 vec=    -7.989708     -7.607446     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00036482111809
                2p
                   -1 :              -0.00000304739984
                   +0 :              -0.00013317810381
                   +1 :              -0.00024164061495
                3s
                   +0 :              -0.00149514397051
                4s
                   +0 :               0.00070489954218
                3p
                   -1 :              -0.00002290961692
                   +0 :               0.00108682982238
                   +1 :               0.00189579555858
                4p
                   -1 :              -0.00008243249417
                   +0 :              -0.00039820302343
                   +1 :              -0.00053002599971
                3d
                   -2 :               0.00003420810779
                   -1 :               0.00003084006767
                   +0 :               0.00027364953140
                   +1 :              -0.00037630587340
                   +2 :              -0.00095695086973
              7 vec=    -0.209546    -12.099325     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00020914054399
                2p
                   -1 :              -0.00002606101815
                   +0 :               0.00009255842055
                   +1 :              -0.00003281129640
                3s
                   +0 :              -0.00053190195743
                4s
                   +0 :              -0.00023131780717
                3p
                   -1 :               0.00035293531965
                   +0 :               0.00008172746920
                   +1 :               0.00008976065202
                4p
                   -1 :               0.00009980086245
                   +0 :               0.00000486387303
                   +1 :              -0.00006289335601
                3d
                   -2 :              -0.00016984082938
                   -1 :               0.00006972231289
                   +0 :               0.00015100486007
                   +1 :              -0.00000038574809
                   +2 :               0.00003131663517
              8 vec=     7.570617     10.360070     -1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00004231033243
                2p
                   -1 :               0.00002314061611
                   +0 :              -0.00009195066062
                   +1 :               0.00012048074022
                3s
                   +0 :               0.00031400038759
                4s
                   +0 :              -0.00010159716697
                3p
                   -1 :              -0.00069554824401
                   +0 :              -0.00151656284533
                   +1 :               0.00090874764516
                4p
                   -1 :               0.00002047432930
                   +0 :              -0.00003432001949
                   +1 :               0.00010004140691
                3d
                   -2 :              -0.00009952721812
                   -1 :              -0.00019219224885
                   +0 :              -0.00002651426208
                   +1 :              -0.00034927371214
                   +2 :               0.00041983842445
              9 vec=    -7.989708     10.360070     -1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00013754451074
                2p
                   -1 :              -0.00004788052198
                   +0 :               0.00004470555093
                   +1 :              -0.00010228329757
                3s
                   +0 :               0.00157761318224
                4s
                   +0 :              -0.00022509893483
                3p
                   -1 :               0.00102043952927
                   +0 :              -0.00150569174084
                   +1 :              -0.00125750287110
                4p
                   -1 :              -0.00024362244025
                   +0 :               0.00016149652513
                   +1 :               0.00007107724626
                3d
                   -2 :              -0.00041471473495
                   -1 :              -0.00036601707159
                   +0 :              -0.00004528224351
                   +1 :               0.00032522984462
                   +2 :               0.00014524900275
             10 vec=    -0.209546     14.851949     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00025196142510
                2p
                   -1 :              -0.00004094997545
                   +0 :              -0.00004509757963
                   +1 :              -0.00000213292590
                3s
                   +0 :               0.00126864174184
                4s
                   +0 :              -0.00024668874889
                3p
                   -1 :               0.00032885419670
                   +0 :               0.00014316268100
                   +1 :               0.00004526899337
                4p
                   -1 :              -0.00003075232412
                   +0 :              -0.00005113530531
                   +1 :              -0.00001603759511
                3d
                   -2 :              -0.00005204244140
                   -1 :               0.00007123281231
                   +0 :               0.00006212890990
                   +1 :              -0.00001330569130
                   +2 :              -0.00000319944732
             11 vec=    15.350780     -3.115567     -1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00001349294473
                2p
                   -1 :              -0.00002872039800
                   +0 :               0.00000783720891
                   +1 :              -0.00004963073854
                3s
                   +0 :              -0.00001373804711
                4s
                   +0 :              -0.00007658240385
                3p
                   -1 :               0.00010561798216
                   +0 :              -0.00019298689362
                   +1 :               0.00025030080071
                4p
                   -1 :              -0.00002497817679
                   +0 :               0.00001221480151
                   +1 :              -0.00010965439555
                3d
                   -2 :              -0.00001017942828
                   -1 :               0.00002227562990
                   +0 :              -0.00003606722664
                   +1 :              -0.00009303890555
                   +2 :              -0.00000748177612
             12 vec=   -15.769871     -3.115567     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00000057770641
                2p
                   -1 :              -0.00003537484251
                   +0 :               0.00001036112711
                   +1 :              -0.00004294677250
                3s
                   +0 :              -0.00013946453425
                4s
                   +0 :               0.00008346977106
                3p
                   -1 :               0.00008168328965
                   +0 :               0.00008675740712
                   +1 :               0.00027590392865
                4p
                   -1 :              -0.00003553360806
                   +0 :               0.00000470190280
                   +1 :              -0.00010103075569
                3d
                   -2 :               0.00001931948944
                   -1 :              -0.00002235908070
                   +0 :              -0.00000023817928
                   +1 :              -0.00003544529140
                   +2 :              -0.00003436268634
             13 vec=    15.350780      5.868191     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00004013565556
                2p
                   -1 :              -0.00005919755618
                   +0 :              -0.00001712985537
                   +1 :              -0.00000667699240
                3s
                   +0 :              -0.00002588865938
                4s
                   +0 :              -0.00002852411902
                3p
                   -1 :               0.00027452046757
                   +0 :              -0.00005058555039
                   +1 :               0.00018227897190
                4p
                   -1 :              -0.00004344428086
                   +0 :              -0.00003947930230
                   +1 :              -0.00005682821342
                3d
                   -2 :               0.00003675413792
                   -1 :              -0.00006013157056
                   +0 :              -0.00006702138748
                   +1 :              -0.00003662995302
                   +2 :               0.00002948180986
             14 vec=   -15.769871      5.868191     -1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00001929688138
                2p
                   -1 :              -0.00002623578490
                   +0 :               0.00002344541766
                   +1 :              -0.00001932697300
                3s
                   +0 :               0.00012891652962
                4s
                   +0 :              -0.00003582381017
                3p
                   -1 :               0.00021323395251
                   +0 :              -0.00019524231311
                   +1 :               0.00011172840910
                4p
                   -1 :              -0.00003986210312
                   +0 :               0.00003781070710
                   +1 :              -0.00002337008997
                3d
                   -2 :              -0.00001909328617
                   -1 :              -0.00003690897156
                   +0 :              -0.00000292851056
                   +1 :               0.00003618720712
                   +2 :              -0.00005658909265
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al(  9)  npairs=  14
              1 vec=    -2.802933      1.376312     -5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00162220987144
                2p
                   -1 :               0.00088151674502
                   +0 :               0.00138686008307
                   +1 :               0.00036049383651
                3s
                   +0 :               0.00806906141565
                4s
                   +0 :              -0.00310666296365
                3p
                   -1 :              -0.00672798626196
                   +0 :              -0.01161766900925
                   +1 :              -0.00311352843963
                4p
                   -1 :               0.00064662610003
                   +0 :               0.00361006589581
                   +1 :               0.00081115942555
                3d
                   -2 :              -0.00089295545590
                   -1 :              -0.00146941830645
                   +0 :               0.00252444214750
                   +1 :               0.00061472051349
                   +2 :               0.00013765964148
              2 vec=     4.977229     -3.115567     -5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00051933756265
                2p
                   -1 :              -0.00075776584199
                   +0 :               0.00000176874500
                   +1 :              -0.00023164884964
                3s
                   +0 :              -0.00483717910873
                4s
                   +0 :               0.00182381291858
                3p
                   -1 :               0.00813248395630
                   +0 :              -0.00074117879561
                   +1 :               0.00077059366545
                4p
                   -1 :              -0.00160203914951
                   +0 :               0.00013494312959
                   +1 :              -0.00030028741823
                3d
                   -2 :               0.00232813416756
                   -1 :              -0.00098572106745
                   +0 :               0.00152712579602
                   +1 :              -0.00090956344017
                   +2 :               0.00139505416493
              3 vec=     4.977229      5.868191     -5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00070854697777
                2p
                   -1 :               0.00046958981686
                   +0 :              -0.00052054756671
                   +1 :              -0.00061071770889
                3s
                   +0 :              -0.00633548234457
                4s
                   +0 :               0.00002860060973
                3p
                   -1 :              -0.00441318856148
                   +0 :               0.00350352595846
                   +1 :               0.00693801120854
                4p
                   -1 :               0.00050703759766
                   +0 :              -0.00023747848180
                   +1 :              -0.00110018439052
                3d
                   -2 :               0.00172411460689
                   -1 :               0.00107198360886
                   +0 :               0.00010936143452
                   +1 :              -0.00130867483818
                   +2 :               0.00004855677493
              4 vec=    -2.802933     -7.607446     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00253152482270
                2p
                   -1 :               0.00021559526024
                   +0 :              -0.00005273182918
                   +1 :               0.00155429919810
                3s
                   +0 :               0.00660337686698
                4s
                   +0 :              -0.00176606131493
                3p
                   -1 :               0.00068182023597
                   +0 :               0.00170934564044
                   +1 :              -0.00670026500417
                4p
                   -1 :              -0.00059931421461
                   +0 :              -0.00125545865193
                   +1 :               0.00139243270560
                3d
                   -2 :               0.00017199024212
                   -1 :              -0.00055766021028
                   +0 :              -0.00085092306315
                   +1 :              -0.00010653081371
                   +2 :               0.00096639003635
              5 vec=    -2.802933     10.360070     -5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00010099249992
                2p
                   -1 :               0.00020510720304
                   +0 :              -0.00004497460418
                   +1 :              -0.00015339951905
                3s
                   +0 :               0.00052580979222
                4s
                   +0 :               0.00031880986532
                3p
                   -1 :              -0.00087965805289
                   +0 :              -0.00052192860456
                   +1 :               0.00094615365619
                4p
                   -1 :               0.00040329885114
                   +0 :               0.00004002986535
                   +1 :              -0.00028552598829
                3d
                   -2 :               0.00011919147380
                   -1 :               0.00000460101751
                   +0 :               0.00023485641641
                   +1 :              -0.00009535303432
                   +2 :               0.00023694176920
              6 vec=   -10.583096     -3.115567     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00010193551537
                2p
                   -1 :               0.00011961987253
                   +0 :               0.00000949775055
                   +1 :              -0.00004088825282
                3s
                   +0 :               0.00075073547931
                4s
                   +0 :              -0.00029459819723
                3p
                   -1 :              -0.00040943030079
                   +0 :              -0.00010574198580
                   +1 :               0.00008448351078
                4p
                   -1 :              -0.00000874103662
                   +0 :               0.00002143199598
                   +1 :               0.00011233990507
                3d
                   -2 :               0.00001660106677
                   -1 :               0.00014620515603
                   +0 :              -0.00001267069809
                   +1 :              -0.00008468478642
                   +2 :              -0.00028898934020
              7 vec=   -10.583096      5.868191     -5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00010717843572
                2p
                   -1 :               0.00001791269208
                   +0 :               0.00003702854960
                   +1 :               0.00003427569272
                3s
                   +0 :               0.00059249893434
                4s
                   +0 :               0.00008428897838
                3p
                   -1 :              -0.00015116669803
                   +0 :              -0.00008991646930
                   +1 :              -0.00030327556694
                4p
                   -1 :               0.00006260197154
                   +0 :              -0.00004308052685
                   +1 :              -0.00006822891528
                3d
                   -2 :               0.00019995088007
                   -1 :               0.00000785108982
                   +0 :              -0.00005282279365
                   +1 :               0.00008522956537
                   +2 :               0.00005958476126
              8 vec=    12.757392      1.376312     -5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00075602568856
                2p
                   -1 :              -0.00017392295858
                   +0 :              -0.00023222532989
                   +1 :               0.00015790429863
                3s
                   +0 :              -0.00356209765258
                4s
                   +0 :               0.00044073883623
                3p
                   -1 :               0.00105066347592
                   +0 :               0.00174077544874
                   +1 :              -0.00093137360296
                4p
                   -1 :              -0.00018015870301
                   +0 :              -0.00034445122979
                   +1 :              -0.00004324701720
                3d
                   -2 :               0.00004428519609
                   -1 :              -0.00030858826080
                   +0 :              -0.00018010215389
                   +1 :               0.00035556754603
                   +2 :              -0.00002608941418
              9 vec=     4.977229    -12.099325     -5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00029413042498
                2p
                   -1 :               0.00015163418510
                   +0 :               0.00023439550221
                   +1 :              -0.00014793798981
                3s
                   +0 :               0.00168009765666
                4s
                   +0 :              -0.00032843344667
                3p
                   -1 :              -0.00060229613668
                   +0 :              -0.00124770806004
                   +1 :               0.00109640314462
                4p
                   -1 :               0.00012993154556
                   +0 :               0.00019681217924
                   +1 :              -0.00028162811909
                3d
                   -2 :              -0.00007924632998
                   -1 :               0.00017753912047
                   +0 :              -0.00002385012841
                   +1 :              -0.00037143865079
                   +2 :               0.00010876792655
             10 vec=    12.757392     -7.607446     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00007028071839
                2p
                   -1 :               0.00000632736990
                   +0 :               0.00004594167034
                   +1 :              -0.00006379972057
                3s
                   +0 :               0.00027340032859
                4s
                   +0 :              -0.00005686092362
                3p
                   -1 :              -0.00013771822341
                   +0 :              -0.00019663314979
                   +1 :               0.00041316964315
                4p
                   -1 :               0.00001164387949
                   +0 :               0.00004475033716
                   +1 :              -0.00007453406977
                3d
                   -2 :              -0.00009763394787
                   -1 :               0.00005518182003
                   +0 :              -0.00006200203062
                   +1 :              -0.00003732291551
                   +2 :               0.00006657753253
             11 vec=     4.977229     14.851949     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00000906528530
                2p
                   -1 :              -0.00001461272215
                   +0 :               0.00000063696803
                   +1 :              -0.00001269267823
                3s
                   +0 :               0.00001902210091
                4s
                   +0 :              -0.00000200271617
                3p
                   -1 :               0.00011754439733
                   +0 :               0.00003527778974
                   +1 :              -0.00005717015889
                4p
                   -1 :              -0.00003599151219
                   +0 :               0.00000756825794
                   +1 :               0.00000493757880
                3d
                   -2 :              -0.00003538001749
                   -1 :               0.00003397093127
                   +0 :              -0.00002914435308
                   +1 :               0.00002981200298
                   +2 :              -0.00001000413526
             12 vec=   -10.583096    -12.099325     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00022109884953
                2p
                   -1 :               0.00003628217537
                   +0 :               0.00006684165807
                   +1 :               0.00011881953768
                3s
                   +0 :               0.00059161783514
                4s
                   +0 :              -0.00020548341917
                3p
                   -1 :              -0.00007485853362
                   +0 :              -0.00031041396565
                   +1 :              -0.00057550996324
                4p
                   -1 :               0.00000938697291
                   +0 :               0.00008927919951
                   +1 :               0.00015468887618
                3d
                   -2 :               0.00004234283156
                   -1 :               0.00003704936893
                   +0 :               0.00000002005231
                   +1 :               0.00012001166307
                   +2 :               0.00003207446233
             13 vec=    12.757392     10.360070     -5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00002230171731
                2p
                   -1 :              -0.00001622080455
                   +0 :              -0.00004100659897
                   +1 :               0.00000587044057
                3s
                   +0 :              -0.00036923694526
                4s
                   +0 :               0.00006262666127
                3p
                   -1 :               0.00015999389019
                   +0 :               0.00025283438492
                   +1 :              -0.00010170088867
                4p
                   -1 :              -0.00003129532009
                   +0 :              -0.00005730120577
                   +1 :               0.00001186773786
                3d
                   -2 :              -0.00003804720080
                   -1 :               0.00003723694746
                   +0 :               0.00000770820745
                   +1 :               0.00001130139081
                   +2 :               0.00000804165655
             14 vec=    -2.802933    -16.591204     -5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00005174157833
                2p
                   -1 :              -0.00003523174949
                   +0 :               0.00003366652137
                   +1 :              -0.00000285135242
                3s
                   +0 :               0.00021085136520
                4s
                   +0 :               0.00007303476246
                3p
                   -1 :               0.00029490733208
                   +0 :              -0.00030325687402
                   +1 :               0.00002847233607
                4p
                   -1 :              -0.00013114609945
                   +0 :               0.00008027873071
                   +1 :              -0.00006544627687
                3d
                   -2 :               0.00002898387016
                   -1 :               0.00000583396287
                   +0 :               0.00003115917747
                   +1 :               0.00003270229557
                   +2 :              -0.00001673959990
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al( 10)  npairs=  14
              1 vec=    -2.802933      1.376312      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02117068035372
                2p
                   -1 :               0.00287555140354
                   +0 :               0.01243493393474
                   +1 :              -0.01986941277388
                3s
                   +0 :               0.02903615049969
                4s
                   +0 :               0.01213533104169
                3p
                   -1 :              -0.03225995273990
                   +0 :               0.02585668113947
                   +1 :              -0.03709499566506
                4p
                   -1 :               0.00597971965262
                   +0 :               0.00591252245087
                   +1 :              -0.01044211382065
                3d
                   -2 :               0.00940886064595
                   -1 :              -0.00297910349489
                   +0 :               0.00491491443499
                   +1 :              -0.03044503230320
                   +2 :               0.03433531086605
              2 vec=     4.977229     -3.115567      1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00083562617730
                2p
                   -1 :               0.00088127287010
                   +0 :               0.00122010283097
                   +1 :               0.00071308588534
                3s
                   +0 :               0.00712344397718
                4s
                   +0 :               0.00105408262561
                3p
                   -1 :              -0.00750977234272
                   +0 :              -0.00719333980413
                   +1 :              -0.00325502502910
                4p
                   -1 :               0.00218030608928
                   +0 :               0.00262031520446
                   +1 :               0.00145314675932
                3d
                   -2 :               0.00388167320491
                   -1 :               0.00106592460061
                   +0 :               0.00128093204666
                   +1 :              -0.00176660115945
                   +2 :              -0.00125487750500
              3 vec=     4.977229      5.868191      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00028364872475
                2p
                   -1 :              -0.00042049884556
                   +0 :              -0.00051920140342
                   +1 :              -0.00031368661300
                3s
                   +0 :               0.01110011609202
                4s
                   +0 :              -0.00022273346991
                3p
                   -1 :               0.00175749551184
                   +0 :               0.00893853659652
                   +1 :               0.00781384702503
                4p
                   -1 :              -0.00048605881058
                   +0 :              -0.00085820792133
                   +1 :               0.00011402483771
                3d
                   -2 :               0.00059124535306
                   -1 :               0.00197684562494
                   +0 :               0.00057539308616
                   +1 :               0.00269828882784
                   +2 :               0.00241487829000
              4 vec=    -2.802933     -7.607446      1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00138103627433
                2p
                   -1 :              -0.00010081479250
                   +0 :               0.00064320622461
                   +1 :               0.00094541021277
                3s
                   +0 :              -0.01138309380146
                4s
                   +0 :               0.00208768206765
                3p
                   -1 :               0.00296490266405
                   +0 :              -0.00863502601390
                   +1 :              -0.01007771756940
                4p
                   -1 :              -0.00042776362836
                   +0 :               0.00119688982923
                   +1 :               0.00130200835330
                3d
                   -2 :               0.00391177825656
                   -1 :               0.00221515012624
                   +0 :              -0.00124363687654
                   +1 :              -0.00273782077796
                   +2 :              -0.00099060439503
              5 vec=    -2.802933     10.360070      1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00058082725454
                2p
                   -1 :              -0.00025440172114
                   +0 :              -0.00001450868835
                   +1 :               0.00037130605274
                3s
                   +0 :               0.00338452928438
                4s
                   +0 :              -0.00056330179983
                3p
                   -1 :               0.00177628034479
                   +0 :               0.00080489081304
                   +1 :              -0.00203469781268
                4p
                   -1 :              -0.00027581397608
                   +0 :              -0.00004002792510
                   +1 :               0.00038919959244
                3d
                   -2 :              -0.00064276815370
                   -1 :               0.00029942245059
                   +0 :              -0.00023154349442
                   +1 :              -0.00013568827602
                   +2 :               0.00003840586485
              6 vec=   -10.583096     -3.115567      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00093028557465
                2p
                   -1 :               0.00010456420617
                   +0 :              -0.00006418063803
                   +1 :              -0.00016772084549
                3s
                   +0 :              -0.00448270835392
                4s
                   +0 :               0.00076647114944
                3p
                   -1 :              -0.00092785881854
                   +0 :              -0.00019653669605
                   +1 :               0.00189847385873
                4p
                   -1 :               0.00014387651718
                   +0 :               0.00002909946490
                   +1 :              -0.00006752394006
                3d
                   -2 :               0.00021022415581
                   -1 :              -0.00065555787065
                   +0 :              -0.00020609473129
                   +1 :               0.00018358244811
                   +2 :              -0.00045637461719
              7 vec=   -10.583096      5.868191      1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00007970011219
                2p
                   -1 :               0.00017109374501
                   +0 :               0.00017082643155
                   +1 :              -0.00004518040323
                3s
                   +0 :               0.00012953881199
                4s
                   +0 :               0.00011606653880
                3p
                   -1 :              -0.00038671302037
                   +0 :              -0.00059566872193
                   +1 :               0.00004528784090
                4p
                   -1 :               0.00023606698254
                   +0 :               0.00017574093886
                   +1 :               0.00000643240144
                3d
                   -2 :              -0.00003583896859
                   -1 :              -0.00010493779154
                   +0 :              -0.00002556143638
                   +1 :               0.00021468303192
                   +2 :              -0.00022935073794
              8 vec=    12.757392      1.376312      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00030072142562
                2p
                   -1 :               0.00006021183886
                   +0 :              -0.00005650977739
                   +1 :               0.00002976374940
                3s
                   +0 :               0.00107235328943
                4s
                   +0 :              -0.00013425257975
                3p
                   -1 :              -0.00023876376787
                   +0 :               0.00035143126850
                   +1 :              -0.00021049153403
                4p
                   -1 :               0.00012586678268
                   +0 :              -0.00007328750029
                   +1 :               0.00009453274594
                3d
                   -2 :              -0.00018030988212
                   -1 :               0.00015688219409
                   +0 :              -0.00007159309173
                   +1 :               0.00004342589828
                   +2 :              -0.00024708498409
              9 vec=     4.977229    -12.099325      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00035567753413
                2p
                   -1 :              -0.00009006235370
                   +0 :               0.00007716870279
                   +1 :               0.00007220338109
                3s
                   +0 :              -0.00273107137688
                4s
                   +0 :               0.00020955607544
                3p
                   -1 :               0.00156560864111
                   +0 :              -0.00168788484861
                   +1 :               0.00016920455529
                4p
                   -1 :               0.00007635955469
                   +0 :               0.00022590140804
                   +1 :               0.00001531245053
                3d
                   -2 :              -0.00017587900793
                   -1 :               0.00079542432875
                   +0 :              -0.00016597260499
                   +1 :               0.00000930251024
                   +2 :               0.00036385940822
             10 vec=    12.757392     -7.607446      1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00003561438240
                2p
                   -1 :               0.00005779227190
                   +0 :              -0.00002662227450
                   +1 :              -0.00003632116495
                3s
                   +0 :               0.00021726064846
                4s
                   +0 :              -0.00012943750675
                3p
                   -1 :              -0.00039650516609
                   +0 :               0.00003295922599
                   +1 :               0.00027946618511
                4p
                   -1 :               0.00009035661834
                   +0 :              -0.00005613407401
                   +1 :              -0.00011482395266
                3d
                   -2 :              -0.00006386541310
                   -1 :              -0.00010272449650
                   +0 :              -0.00001495167378
                   +1 :              -0.00001628780272
                   +2 :               0.00004092934724
             11 vec=     4.977229     14.851949      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00007460148748
                2p
                   -1 :              -0.00005843107783
                   +0 :              -0.00002683353114
                   +1 :               0.00001838539291
                3s
                   +0 :               0.00025841999084
                4s
                   +0 :              -0.00013571847640
                3p
                   -1 :               0.00038484263269
                   +0 :               0.00019141933956
                   +1 :              -0.00009885375726
                4p
                   -1 :              -0.00011478825979
                   +0 :              -0.00006876784896
                   +1 :               0.00001554326804
                3d
                   -2 :               0.00000166470659
                   -1 :               0.00003673244531
                   +0 :              -0.00002782177072
                   +1 :               0.00002046236113
                   +2 :              -0.00013687409251
             12 vec=   -10.583096    -12.099325      1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00005740156593
                2p
                   -1 :              -0.00001565112009
                   +0 :               0.00001755050336
                   +1 :              -0.00000205225245
                3s
                   +0 :              -0.00023464034111
                4s
                   +0 :              -0.00007259179209
                3p
                   -1 :              -0.00003863677898
                   +0 :              -0.00007773336927
                   +1 :              -0.00003439585866
                4p
                   -1 :               0.00004974779329
                   +0 :              -0.00000828286352
                   +1 :               0.00011133596180
                3d
                   -2 :              -0.00004768159055
                   -1 :               0.00000795076666
                   +0 :               0.00003792787651
                   +1 :               0.00006709829133
                   +2 :               0.00002171053997
             13 vec=    12.757392     10.360070      1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00003849384948
                2p
                   -1 :              -0.00001284051732
                   +0 :              -0.00004221735058
                   +1 :              -0.00000933835569
                3s
                   +0 :              -0.00001544607182
                4s
                   +0 :              -0.00002099283764
                3p
                   -1 :              -0.00002186759736
                   +0 :               0.00016869110092
                   +1 :              -0.00003568596523
                4p
                   -1 :              -0.00000697835528
                   +0 :              -0.00003734144211
                   +1 :              -0.00000796151336
                3d
                   -2 :              -0.00002946197631
                   -1 :               0.00001467837021
                   +0 :               0.00002952000917
                   +1 :               0.00003785091002
                   +2 :               0.00000368745476
             14 vec=    -2.802933    -16.591204      1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00003306056729
                2p
                   -1 :              -0.00000645553661
                   +0 :              -0.00002020542425
                   +1 :               0.00000516340238
                3s
                   +0 :              -0.00043764335022
                4s
                   +0 :               0.00014381971325
                3p
                   -1 :               0.00023358952819
                   +0 :               0.00003314077119
                   +1 :               0.00002543061896
                4p
                   -1 :              -0.00007622084332
                   +0 :              -0.00003241612390
                   +1 :               0.00002973811750
                3d
                   -2 :              -0.00000699900122
                   -1 :               0.00001583459891
                   +0 :               0.00000540402003
                   +1 :               0.00000645840656
                   +2 :               0.00002625053049
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al( 11)  npairs=  15
              1 vec=    -2.802933      1.376312    -10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00058516660526
                2p
                   -1 :               0.00021184515551
                   +0 :              -0.00015945392271
                   +1 :               0.00016421219914
                3s
                   +0 :              -0.00144157152973
                4s
                   +0 :               0.00044864390497
                3p
                   -1 :              -0.00198857162148
                   +0 :               0.00057080809354
                   +1 :              -0.00048703714780
                4p
                   -1 :               0.00019034233735
                   +0 :              -0.00005847532131
                   +1 :               0.00017286838957
                3d
                   -2 :              -0.00000430276303
                   -1 :               0.00037611522445
                   +0 :               0.00025974335343
                   +1 :              -0.00007386484902
                   +2 :              -0.00038538549368
              2 vec=     4.977229     -3.115567    -10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00071620927590
                2p
                   -1 :              -0.00054296688419
                   +0 :              -0.00027825160837
                   +1 :              -0.00011973207046
                3s
                   +0 :              -0.00214743018294
                4s
                   +0 :               0.00073232676767
                3p
                   -1 :               0.00296971874719
                   +0 :               0.00121639558278
                   +1 :               0.00115041074177
                4p
                   -1 :              -0.00050585602783
                   +0 :              -0.00030137460084
                   +1 :              -0.00021603107154
                3d
                   -2 :               0.00012183793484
                   -1 :              -0.00064807922805
                   +0 :               0.00005814565252
                   +1 :              -0.00023500229686
                   +2 :               0.00030693111926
              3 vec=     4.977229      5.868191    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00018366544660
                2p
                   -1 :               0.00009334356245
                   +0 :              -0.00003808040915
                   +1 :              -0.00007989732790
                3s
                   +0 :              -0.00060533228609
                4s
                   +0 :               0.00011943513707
                3p
                   -1 :              -0.00030626684243
                   +0 :              -0.00030885149736
                   +1 :               0.00137238814446
                4p
                   -1 :               0.00004263231142
                   +0 :              -0.00000851639977
                   +1 :              -0.00000061327506
                3d
                   -2 :               0.00030178744314
                   -1 :              -0.00011172690549
                   +0 :               0.00012724054446
                   +1 :              -0.00025143599207
                   +2 :              -0.00021986712656
              4 vec=    -2.802933     -7.607446    -10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00027339207895
                2p
                   -1 :              -0.00027076749339
                   +0 :               0.00009094884692
                   +1 :               0.00019679790984
                3s
                   +0 :               0.00009359874235
                4s
                   +0 :               0.00005831334214
                3p
                   -1 :               0.00165565833369
                   +0 :               0.00037576267434
                   +1 :              -0.00083354154415
                4p
                   -1 :              -0.00032039837389
                   +0 :              -0.00017079214196
                   +1 :               0.00010656207250
                3d
                   -2 :               0.00003206970386
                   -1 :              -0.00035077987321
                   +0 :              -0.00020980449609
                   +1 :               0.00030259074006
                   +2 :               0.00013080388098
              5 vec=    -2.802933      1.376312     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00000675109505
                2p
                   -1 :               0.00005931650927
                   +0 :              -0.00004037688630
                   +1 :              -0.00000503576222
                3s
                   +0 :               0.00002247610690
                4s
                   +0 :              -0.00003635381795
                3p
                   -1 :              -0.00030183282824
                   +0 :               0.00023252270841
                   +1 :               0.00004930339967
                4p
                   -1 :               0.00010654640952
                   +0 :              -0.00008175263640
                   +1 :              -0.00004566543366
                3d
                   -2 :              -0.00002382160474
                   -1 :               0.00004385584270
                   +0 :               0.00002632242799
                   +1 :              -0.00000114453451
                   +2 :              -0.00000386773287
              6 vec=     4.977229     -3.115567     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00003635557769
                2p
                   -1 :              -0.00004319831844
                   +0 :              -0.00003692763480
                   +1 :               0.00003819037616
                3s
                   +0 :               0.00021234878860
                4s
                   +0 :              -0.00002663848304
                3p
                   -1 :               0.00015235049117
                   +0 :               0.00025487508361
                   +1 :              -0.00016193228830
                4p
                   -1 :              -0.00003211210311
                   +0 :              -0.00004670318602
                   +1 :               0.00004914374338
                3d
                   -2 :              -0.00002647332363
                   -1 :              -0.00002851126111
                   +0 :               0.00004388211069
                   +1 :               0.00001079460287
                   +2 :              -0.00005209737901
              7 vec=    -2.802933     10.360070    -10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00009406213403
                2p
                   -1 :              -0.00003866884351
                   +0 :              -0.00002055173963
                   +1 :              -0.00000533061365
                3s
                   +0 :               0.00076194821455
                4s
                   +0 :              -0.00014173180751
                3p
                   -1 :               0.00030067114087
                   +0 :               0.00001619172384
                   +1 :              -0.00020062002410
                4p
                   -1 :              -0.00006660228361
                   +0 :              -0.00001444278072
                   +1 :               0.00001939367394
                3d
                   -2 :              -0.00007232836197
                   -1 :              -0.00000110603310
                   +0 :               0.00004387160825
                   +1 :               0.00009085297033
                   +2 :               0.00001963837992
              8 vec=   -10.583096     -3.115567    -10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00020104391843
                2p
                   -1 :              -0.00002748005060
                   +0 :               0.00007547647950
                   +1 :               0.00009550578678
                3s
                   +0 :               0.00050994512836
                4s
                   +0 :              -0.00006376518055
                3p
                   -1 :              -0.00000607673922
                   +0 :              -0.00029790408813
                   +1 :              -0.00022875327273
                4p
                   -1 :              -0.00000531724878
                   +0 :               0.00006523619261
                   +1 :              -0.00001994254377
                3d
                   -2 :               0.00000084363249
                   -1 :               0.00002259308550
                   +0 :               0.00004327440416
                   +1 :               0.00003607682971
                   +2 :               0.00000495098287
              9 vec=     4.977229      5.868191     13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00006611191589
                2p
                   -1 :               0.00001101803147
                   +0 :              -0.00003703195280
                   +1 :               0.00000737534250
                3s
                   +0 :              -0.00020345412699
                4s
                   +0 :               0.00000018950427
                3p
                   -1 :              -0.00017696938041
                   +0 :               0.00026535096635
                   +1 :              -0.00004714611444
                4p
                   -1 :               0.00000357107986
                   +0 :              -0.00011988115676
                   +1 :               0.00000156796106
                3d
                   -2 :              -0.00005174347025
                   -1 :               0.00002021632925
                   +0 :               0.00009184164201
                   +1 :               0.00001963580581
                   +2 :               0.00004984259548
             10 vec=    -2.802933     -7.607446     13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00003740650076
                2p
                   -1 :               0.00001329514552
                   +0 :              -0.00003668436562
                   +1 :              -0.00002746794131
                3s
                   +0 :              -0.00009188037321
                4s
                   +0 :               0.00002972602192
                3p
                   -1 :               0.00003046145883
                   +0 :               0.00007195284851
                   +1 :               0.00021394188495
                4p
                   -1 :              -0.00001673694518
                   +0 :               0.00001500540897
                   +1 :              -0.00000973055260
                3d
                   -2 :              -0.00006906828556
                   -1 :              -0.00000418483835
                   +0 :               0.00002554863248
                   +1 :              -0.00006419714075
                   +2 :              -0.00000549271861
             11 vec=   -10.583096      5.868191    -10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00021230782261
                2p
                   -1 :               0.00002976796502
                   +0 :              -0.00011407539083
                   +1 :              -0.00007773404948
                3s
                   +0 :              -0.00060303083082
                4s
                   +0 :               0.00024747507774
                3p
                   -1 :              -0.00006160863936
                   +0 :               0.00057809019494
                   +1 :               0.00030019135726
                4p
                   -1 :               0.00004172576260
                   +0 :              -0.00017019110071
                   +1 :              -0.00006150799556
                3d
                   -2 :               0.00001881183272
                   -1 :               0.00005386197443
                   +0 :              -0.00005628290708
                   +1 :              -0.00008231828397
                   +2 :               0.00000664835821
             12 vec=    12.757392      1.376312    -10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00014830302575
                2p
                   -1 :              -0.00001249993155
                   +0 :              -0.00005916475755
                   +1 :               0.00003114816921
                3s
                   +0 :              -0.00093796017067
                4s
                   +0 :               0.00024452759058
                3p
                   -1 :               0.00013013845087
                   +0 :               0.00026882871700
                   +1 :              -0.00025197729057
                4p
                   -1 :              -0.00004791838838
                   +0 :              -0.00008951307202
                   +1 :               0.00004880957603
                3d
                   -2 :               0.00003092756036
                   -1 :               0.00001542687207
                   +0 :              -0.00014766766771
                   +1 :               0.00006771588339
                   +2 :              -0.00002818871911
             13 vec=     4.977229    -12.099325    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00002308952136
                2p
                   -1 :              -0.00004567886148
                   +0 :              -0.00002082453387
                   +1 :              -0.00005089961950
                3s
                   +0 :               0.00009011815669
                4s
                   +0 :              -0.00002606823160
                3p
                   -1 :               0.00017363310169
                   +0 :               0.00006382581634
                   +1 :               0.00034920446789
                4p
                   -1 :               0.00000173433494
                   +0 :              -0.00000832106109
                   +1 :              -0.00010733592649
                3d
                   -2 :              -0.00001457464385
                   -1 :               0.00000302272150
                   +0 :              -0.00003193665784
                   +1 :              -0.00000502860442
                   +2 :              -0.00000006873232
             14 vec=    -2.802933     10.360070     13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00004421900968
                2p
                   -1 :              -0.00001860525989
                   +0 :              -0.00000759956619
                   +1 :              -0.00001159861227
                3s
                   +0 :               0.00038364619761
                4s
                   +0 :              -0.00005532554239
                3p
                   -1 :               0.00028252373459
                   +0 :               0.00010573014007
                   +1 :               0.00008019616814
                4p
                   -1 :              -0.00000985789152
                   +0 :              -0.00003593569585
                   +1 :              -0.00000811378641
                3d
                   -2 :               0.00003770350002
                   -1 :               0.00001239097872
                   +0 :              -0.00004620653088
                   +1 :               0.00001674347010
                   +2 :              -0.00007549749394
             15 vec=   -10.583096     -3.115567     13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00007689602341
                2p
                   -1 :              -0.00001891266423
                   +0 :              -0.00001767269703
                   +1 :              -0.00003335642480
                3s
                   +0 :              -0.00042707450515
                4s
                   +0 :               0.00006432233021
                3p
                   -1 :               0.00009735093615
                   +0 :               0.00007730587344
                   +1 :               0.00027544883064
                4p
                   -1 :              -0.00001742355216
                   +0 :              -0.00003246967929
                   +1 :              -0.00002475498121
                3d
                   -2 :              -0.00001731347134
                   -1 :              -0.00000358299757
                   +0 :               0.00005552623125
                   +1 :               0.00000489429898
                   +2 :              -0.00006439362247
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site Al( 12)  npairs=  13
              1 vec=    -2.802933      1.376312      6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00198691691216
                2p
                   -1 :               0.00058028734144
                   +0 :               0.00026248048939
                   +1 :               0.00000762489255
                3s
                   +0 :              -0.00616031702805
                4s
                   +0 :               0.00181247204408
                3p
                   -1 :              -0.00776161609529
                   +0 :              -0.00246013911387
                   +1 :              -0.00514845310935
                4p
                   -1 :               0.00019875866894
                   +0 :               0.00016970285423
                   +1 :               0.00115279788776
                3d
                   -2 :               0.00044936806836
                   -1 :              -0.00254569008058
                   +0 :              -0.00029459437178
                   +1 :              -0.00053075506325
                   +2 :               0.00198392680168
              2 vec=     4.977229     -3.115567      6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00159480196106
                2p
                   -1 :              -0.00078444896188
                   +0 :               0.00017161531922
                   +1 :              -0.00001702596245
                3s
                   +0 :              -0.01467618022417
                4s
                   +0 :               0.00327715904446
                3p
                   -1 :               0.00765267294776
                   +0 :              -0.00685566193667
                   +1 :              -0.00477965587810
                4p
                   -1 :              -0.00191732106466
                   +0 :               0.00089928922031
                   +1 :               0.00006403329500
                3d
                   -2 :               0.00228936168687
                   -1 :               0.00185715666697
                   +0 :              -0.00065305558358
                   +1 :              -0.00178472108256
                   +2 :               0.00028336048023
              3 vec=     4.977229      5.868191      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00033817247292
                2p
                   -1 :               0.00009721948943
                   +0 :               0.00044122228796
                   +1 :              -0.00014059136174
                3s
                   +0 :               0.00022322490704
                4s
                   +0 :               0.00008315557596
                3p
                   -1 :              -0.00029295415357
                   +0 :              -0.00210070489588
                   +1 :               0.00159182889117
                4p
                   -1 :              -0.00012259132883
                   +0 :               0.00046702896642
                   +1 :              -0.00029704076927
                3d
                   -2 :               0.00010154628569
                   -1 :              -0.00032298923177
                   +0 :              -0.00002426713676
                   +1 :               0.00005304061144
                   +2 :               0.00005580383862
              4 vec=    -2.802933     -7.607446      6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00173335198372
                2p
                   -1 :              -0.00046386498386
                   +0 :               0.00036893097906
                   +1 :              -0.00043534650078
                3s
                   +0 :              -0.00735021919237
                4s
                   +0 :               0.00228992352971
                3p
                   -1 :               0.00305531977861
                   +0 :              -0.00255016120966
                   +1 :               0.00221266637502
                4p
                   -1 :              -0.00073251049278
                   +0 :               0.00066185168151
                   +1 :              -0.00066290605686
                3d
                   -2 :              -0.00058784357181
                   -1 :               0.00036193692061
                   +0 :              -0.00030710655976
                   +1 :               0.00061034238051
                   +2 :               0.00003506833779
              5 vec=    -2.802933     10.360070      6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00041356163073
                2p
                   -1 :               0.00032841315226
                   +0 :               0.00021631155577
                   +1 :               0.00003613766157
                3s
                   +0 :              -0.00072135267657
                4s
                   +0 :               0.00043321614453
                3p
                   -1 :              -0.00120795006879
                   +0 :              -0.00078223415418
                   +1 :              -0.00016856804422
                4p
                   -1 :               0.00039885385810
                   +0 :               0.00030555364778
                   +1 :               0.00003557174521
                3d
                   -2 :              -0.00010561741954
                   -1 :              -0.00014235115405
                   +0 :              -0.00000704103284
                   +1 :              -0.00006779933714
                   +2 :               0.00001947521704
              6 vec=   -10.583096     -3.115567      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00014610945887
                2p
                   -1 :              -0.00004409251036
                   +0 :               0.00021894849042
                   +1 :              -0.00005810576551
                3s
                   +0 :              -0.00078963513690
                4s
                   +0 :               0.00023194569654
                3p
                   -1 :               0.00009561844939
                   +0 :              -0.00109765159133
                   +1 :               0.00016733746056
                4p
                   -1 :               0.00006517384261
                   +0 :               0.00024287288208
                   +1 :              -0.00004859954983
                3d
                   -2 :               0.00009121495243
                   -1 :               0.00008978641005
                   +0 :              -0.00029142887287
                   +1 :               0.00022738684697
                   +2 :               0.00000703680445
              7 vec=   -10.583096      5.868191      6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00006672351778
                2p
                   -1 :               0.00009402937613
                   +0 :              -0.00003615291200
                   +1 :               0.00015151776219
                3s
                   +0 :               0.00037829530682
                4s
                   +0 :              -0.00026889698338
                3p
                   -1 :              -0.00026244030953
                   +0 :               0.00032342288796
                   +1 :              -0.00084456725487
                4p
                   -1 :              -0.00005010643992
                   +0 :              -0.00010104766037
                   +1 :               0.00032283365208
                3d
                   -2 :              -0.00008392709986
                   -1 :              -0.00008885983203
                   +0 :              -0.00008822739473
                   +1 :              -0.00010351924630
                   +2 :              -0.00005338476274
              8 vec=    12.757392      1.376312      6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00007821081405
                2p
                   -1 :              -0.00005776072059
                   +0 :              -0.00004141185923
                   +1 :              -0.00005657657738
                3s
                   +0 :               0.00055379370965
                4s
                   +0 :              -0.00029412226236
                3p
                   -1 :               0.00025133248612
                   +0 :               0.00020820245356
                   +1 :               0.00059745456769
                4p
                   -1 :              -0.00008402706687
                   +0 :              -0.00008637369086
                   +1 :              -0.00027663763292
                3d
                   -2 :               0.00004051637440
                   -1 :               0.00003473802319
                   +0 :               0.00003426937348
                   +1 :               0.00001556730916
                   +2 :               0.00011249466133
              9 vec=     4.977229    -12.099325      6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00012942774504
                2p
                   -1 :               0.00004030789690
                   +0 :              -0.00002544030766
                   +1 :              -0.00007667070400
                3s
                   +0 :               0.00025661487281
                4s
                   +0 :               0.00000836435957
                3p
                   -1 :              -0.00014154208250
                   +0 :              -0.00004395302003
                   +1 :               0.00043511929853
                4p
                   -1 :              -0.00000853279536
                   +0 :               0.00003879556231
                   +1 :              -0.00011852277679
                3d
                   -2 :              -0.00002380171780
                   -1 :              -0.00002333308786
                   +0 :              -0.00006948252325
                   +1 :               0.00005937462879
                   +2 :               0.00009722267033
             10 vec=    12.757392     -7.607446      6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00008859916790
                2p
                   -1 :              -0.00004552546478
                   +0 :               0.00000685529249
                   +1 :               0.00001757450806
                3s
                   +0 :              -0.00015398244394
                4s
                   +0 :               0.00003625117806
                3p
                   -1 :               0.00021263640568
                   +0 :              -0.00000519614245
                   +1 :              -0.00002887355420
                4p
                   -1 :              -0.00003009453314
                   +0 :               0.00002092411592
                   +1 :              -0.00001552807596
                3d
                   -2 :               0.00004548377934
                   -1 :              -0.00000429845253
                   +0 :               0.00000375154788
                   +1 :              -0.00000053430968
                   +2 :               0.00004486933674
             11 vec=     4.977229     14.851949      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00008895846955
                2p
                   -1 :              -0.00004297271403
                   +0 :              -0.00002970930461
                   +1 :               0.00001209286658
                3s
                   +0 :               0.00053999463443
                4s
                   +0 :              -0.00012648013073
                3p
                   -1 :               0.00029394681149
                   +0 :               0.00024677289905
                   +1 :              -0.00006691061132
                4p
                   -1 :              -0.00004370758237
                   +0 :              -0.00004329056087
                   +1 :               0.00000285850782
                3d
                   -2 :              -0.00000430820552
                   -1 :               0.00006625225849
                   +0 :               0.00003665996294
                   +1 :              -0.00000315818584
                   +2 :              -0.00003525944008
             12 vec=   -10.583096    -12.099325      6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00000576619922
                2p
                   -1 :               0.00002149201611
                   +0 :              -0.00001858994533
                   +1 :               0.00000684856102
                3s
                   +0 :              -0.00025737667414
                4s
                   +0 :               0.00002261802271
                3p
                   -1 :              -0.00004388020290
                   +0 :               0.00002865959315
                   +1 :               0.00005691234064
                4p
                   -1 :               0.00002420912421
                   +0 :              -0.00002151816651
                   +1 :              -0.00000176933207
                3d
                   -2 :              -0.00002291059809
                   -1 :              -0.00000331889025
                   +0 :              -0.00000189434954
                   +1 :              -0.00000033880532
                   +2 :              -0.00001611086892
             13 vec=    12.757392     10.360070      6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00000360445840
                2p
                   -1 :               0.00003427636684
                   +0 :               0.00000240054511
                   +1 :              -0.00000061840195
                3s
                   +0 :              -0.00001223533500
                4s
                   +0 :               0.00000429991785
                3p
                   -1 :              -0.00020390511503
                   +0 :              -0.00003567813270
                   +1 :               0.00000207318936
                4p
                   -1 :               0.00004488422736
                   +0 :               0.00000776860582
                   +1 :               0.00001933442070
                3d
                   -2 :               0.00000305567667
                   -1 :              -0.00003060195194
                   +0 :               0.00002709314536
                   +1 :               0.00000838554349
                   +2 :              -0.00000431365153
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 13)  npairs=  12
              1 vec=     4.767684      0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00003415567614
                2s
                   +0 :               0.00143297581585
                3s
                   +0 :               0.00033588735090
                2p
                   -1 :              -0.00841457486389
                   +0 :               0.00184550916988
                   +1 :               0.00241682487740
                3p
                   -1 :              -0.00093815455431
                   +0 :              -0.00157988861385
                   +1 :              -0.00308546882980
                3d
                   -2 :              -0.00129301058819
                   -1 :              -0.00029065061258
                   +0 :               0.00095625421884
                   +1 :               0.00037712219778
                   +2 :              -0.00026722438009
              2 vec=    -3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00024031960182
                2s
                   +0 :              -0.03726006994970
                3s
                   +0 :              -0.00612142931370
                2p
                   -1 :               0.02026806029214
                   +0 :              -0.00173194300059
                   +1 :               0.02329013548292
                3p
                   -1 :               0.00785469607625
                   +0 :               0.00376352356979
                   +1 :               0.00416171536257
                3d
                   -2 :              -0.00340381401626
                   -1 :              -0.00087907779074
                   +0 :               0.00176920594957
                   +1 :              -0.00037458009868
                   +2 :               0.00118431410212
              3 vec=    -3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00219636347973
                2s
                   +0 :               0.04654066646081
                3s
                   +0 :              -0.00307871307270
                2p
                   -1 :               0.02589321637865
                   +0 :              -0.00248870756643
                   +1 :              -0.02295116325654
                3p
                   -1 :               0.00141555250281
                   +0 :               0.00218577035884
                   +1 :               0.00285034721622
                3d
                   -2 :              -0.00195721355438
                   -1 :               0.00094089816899
                   +0 :              -0.00105223247347
                   +1 :               0.00046906004666
                   +2 :              -0.00084846476024
              4 vec=     4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00073443774911
                2s
                   +0 :              -0.00654537950384
                3s
                   +0 :               0.00141187606705
                2p
                   -1 :               0.00385354412348
                   +0 :               0.00138475890595
                   +1 :              -0.00450934852259
                3p
                   -1 :               0.00049444622783
                   +0 :              -0.00077275900189
                   +1 :               0.00141322881900
                3d
                   -2 :               0.00015343293128
                   -1 :              -0.00027392396323
                   +0 :               0.00023786104092
                   +1 :              -0.00004106623875
                   +2 :               0.00034569352868
              5 vec=     4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00026595155370
                2s
                   +0 :               0.00357705336932
                3s
                   +0 :              -0.00001075785331
                2p
                   -1 :               0.00524747724938
                   +0 :               0.00030322353551
                   +1 :               0.00212823799141
                3p
                   -1 :              -0.00054777424501
                   +0 :              -0.00026058983614
                   +1 :              -0.00004855594089
                3d
                   -2 :               0.00025635764180
                   -1 :               0.00002538620333
                   +0 :              -0.00007949159775
                   +1 :               0.00003753822395
                   +2 :              -0.00013289461486
              6 vec=   -10.792642     -0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00012816172853
                2s
                   +0 :               0.00039690801293
                3s
                   +0 :              -0.00051513253010
                2p
                   -1 :              -0.00093895772091
                   +0 :               0.00077767323859
                   +1 :              -0.00007485419127
                3p
                   -1 :               0.00030232617779
                   +0 :              -0.00051040043839
                   +1 :               0.00060891729865
                3d
                   -2 :               0.00003019842760
                   -1 :              -0.00003640254973
                   +0 :               0.00003117586133
                   +1 :               0.00003467917001
                   +2 :              -0.00011282433496
              7 vec=    12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00006833305480
                2s
                   +0 :               0.00027227871526
                3s
                   +0 :              -0.00014762908353
                2p
                   -1 :               0.00024543782896
                   +0 :               0.00004847003582
                   +1 :              -0.00013511711322
                3p
                   -1 :              -0.00014968776023
                   +0 :              -0.00003961509693
                   +1 :               0.00013371061253
                3d
                   -2 :               0.00001082358101
                   -1 :               0.00000960270495
                   +0 :              -0.00001730745692
                   +1 :               0.00000863555394
                   +2 :              -0.00000399682126
              8 vec=    12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00000895404718
                2s
                   +0 :               0.00014919679698
                3s
                   +0 :               0.00000092421680
                2p
                   -1 :               0.00050241803450
                   +0 :              -0.00002979954107
                   +1 :              -0.00019109483032
                3p
                   -1 :              -0.00051875813525
                   +0 :              -0.00014188427500
                   +1 :               0.00037316213756
                3d
                   -2 :              -0.00003378244845
                   -1 :              -0.00005156634250
                   +0 :              -0.00000556972515
                   +1 :              -0.00001237963007
                   +2 :               0.00003446118653
              9 vec=    -3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00006377138927
                2s
                   +0 :              -0.00091374291005
                3s
                   +0 :               0.00014787004299
                2p
                   -1 :               0.00048995679069
                   +0 :              -0.00008561019728
                   +1 :              -0.00041285610062
                3p
                   -1 :              -0.00007113186234
                   +0 :               0.00007575022942
                   +1 :               0.00011954299101
                3d
                   -2 :              -0.00002278381008
                   -1 :              -0.00001594794721
                   +0 :               0.00000354091515
                   +1 :              -0.00000859208891
                   +2 :              -0.00000022515074
             10 vec=    -3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00005071786990
                2s
                   +0 :               0.00081424326897
                3s
                   +0 :               0.00001174565139
                2p
                   -1 :               0.00050248394461
                   +0 :               0.00005258414256
                   +1 :              -0.00027273772819
                3p
                   -1 :               0.00007738932968
                   +0 :              -0.00003617698456
                   +1 :               0.00018379894926
                3d
                   -2 :               0.00003889207314
                   -1 :               0.00001834613006
                   +0 :              -0.00001817033481
                   +1 :               0.00001127008228
                   +2 :              -0.00001609646903
             11 vec=   -10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00000950765534
                2s
                   +0 :              -0.00025456549222
                3s
                   +0 :               0.00002307228742
                2p
                   -1 :              -0.00009722970710
                   +0 :               0.00017990740683
                   +1 :               0.00016381054173
                3p
                   -1 :              -0.00002321883814
                   +0 :              -0.00012316456307
                   +1 :              -0.00003825582495
                3d
                   -2 :               0.00003981190875
                   -1 :              -0.00001167334552
                   +0 :              -0.00000732516616
                   +1 :               0.00000600750261
                   +2 :               0.00000631591576
             12 vec=   -10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00004167762745
                2s
                   +0 :               0.00046878878968
                3s
                   +0 :              -0.00008126424156
                2p
                   -1 :               0.00001971506320
                   +0 :              -0.00025582871736
                   +1 :              -0.00061090753293
                3p
                   -1 :              -0.00010389451865
                   +0 :               0.00016071304895
                   +1 :               0.00027260853662
                3d
                   -2 :               0.00001538371671
                   -1 :               0.00001276649024
                   +0 :              -0.00000764222610
                   +1 :               0.00000708273076
                   +2 :              -0.00000966898343
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 14)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00306988916483
                2s
                   +0 :              -0.02876439630147
                3s
                   +0 :               0.00676789316738
                2p
                   -1 :               0.89043388403287
                   +0 :              -0.04006783680296
                   +1 :               0.00227181780724
                3p
                   -1 :              -0.04272294594917
                   +0 :               0.01296832430836
                   +1 :               0.00076195447269
                3d
                   -2 :              -0.00053981918056
                   -1 :              -0.00037694643603
                   +0 :               0.00043330206562
                   +1 :              -0.00061752690778
                   +2 :               0.00300822030495
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00019187929878
                2s
                   +0 :              -0.00058464876327
                3s
                   +0 :              -0.00041008092680
                2p
                   -1 :              -0.00136905570819
                   +0 :              -0.00001752527124
                   +1 :              -0.00033888177749
                3p
                   -1 :              -0.00013452165939
                   +0 :              -0.00020230376802
                   +1 :               0.00234447938846
                3d
                   -2 :               0.00013966589166
                   -1 :               0.00009416864098
                   +0 :               0.00024298575916
                   +1 :              -0.00012853358084
                   +2 :              -0.00040375275670
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00016785275376
                2s
                   +0 :               0.00123315254174
                3s
                   +0 :              -0.00044873905946
                2p
                   -1 :              -0.00229151640704
                   +0 :              -0.00041566860276
                   +1 :              -0.00343296765449
                3p
                   -1 :               0.00054352191090
                   +0 :               0.00029676649975
                   +1 :               0.00179134535900
                3d
                   -2 :              -0.00004443430743
                   -1 :               0.00002390753591
                   +0 :               0.00010729987203
                   +1 :              -0.00002408092195
                   +2 :              -0.00002612702954
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00017250535414
                2s
                   +0 :              -0.00084837921629
                3s
                   +0 :               0.00028447251351
                2p
                   -1 :               0.00076787948450
                   +0 :              -0.00035153121516
                   +1 :               0.00118767569913
                3p
                   -1 :              -0.00017279513332
                   +0 :               0.00048292411966
                   +1 :              -0.00043159628965
                3d
                   -2 :              -0.00009843775550
                   -1 :              -0.00008960501434
                   +0 :              -0.00007469262830
                   +1 :               0.00012628873876
                   +2 :               0.00008037933526
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00029612945490
                2s
                   +0 :               0.00179267820664
                3s
                   +0 :              -0.00039035224435
                2p
                   -1 :               0.00109927007695
                   +0 :              -0.00170405570794
                   +1 :               0.00117275407441
                3p
                   -1 :               0.00000092330483
                   +0 :               0.00153095514230
                   +1 :              -0.00137711418677
                3d
                   -2 :              -0.00020732310806
                   -1 :               0.00001045903146
                   +0 :              -0.00008026590754
                   +1 :              -0.00001774954121
                   +2 :               0.00013042071510
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00022772642475
                2s
                   +0 :              -0.00034347268338
                3s
                   +0 :               0.00095850987152
                2p
                   -1 :              -0.00247687933929
                   +0 :              -0.00023045346653
                   +1 :              -0.00190590159961
                3p
                   -1 :               0.00047663643065
                   +0 :               0.00027634422347
                   +1 :               0.00148050843943
                3d
                   -2 :              -0.00018378466634
                   -1 :              -0.00003589045133
                   +0 :              -0.00001400998501
                   +1 :              -0.00006070825483
                   +2 :              -0.00001968584313
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000217378422
                2s
                   +0 :              -0.00014387701902
                3s
                   +0 :               0.00005328950693
                2p
                   -1 :              -0.00104149962801
                   +0 :               0.00034461070561
                   +1 :               0.00456077368035
                3p
                   -1 :              -0.00001164003690
                   +0 :              -0.00096082882298
                   +1 :              -0.00167870307045
                3d
                   -2 :              -0.00006109980344
                   -1 :              -0.00004287624504
                   +0 :              -0.00009811845934
                   +1 :              -0.00001084288443
                   +2 :               0.00001924679325
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00004961716197
                2s
                   +0 :              -0.00042559816205
                3s
                   +0 :               0.00014319705732
                2p
                   -1 :               0.00000700061902
                   +0 :               0.00003204537384
                   +1 :               0.00019110396634
                3p
                   -1 :              -0.00001507236891
                   +0 :              -0.00003914817434
                   +1 :              -0.00004901027906
                3d
                   -2 :              -0.00000582884565
                   -1 :              -0.00000261338321
                   +0 :               0.00001319743999
                   +1 :               0.00000082265815
                   +2 :              -0.00001004773321
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00004645723773
                2s
                   +0 :              -0.00091719299717
                3s
                   +0 :               0.00005506021942
                2p
                   -1 :               0.00100030162925
                   +0 :               0.00017061669424
                   +1 :               0.00062474898474
                3p
                   -1 :              -0.00036127503625
                   +0 :              -0.00015064631277
                   +1 :              -0.00018558898774
                3d
                   -2 :               0.00001123721901
                   -1 :               0.00001246601345
                   +0 :              -0.00000564585328
                   +1 :              -0.00000303900732
                   +2 :               0.00001672305376
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004006959948
                2s
                   +0 :               0.00069237489203
                3s
                   +0 :              -0.00001015429726
                2p
                   -1 :               0.00053201806321
                   +0 :              -0.00019754582459
                   +1 :              -0.00031413343338
                3p
                   -1 :               0.00005937477812
                   +0 :               0.00015543510301
                   +1 :               0.00001931306697
                3d
                   -2 :              -0.00002622114646
                   -1 :               0.00000382630785
                   +0 :              -0.00001090625581
                   +1 :              -0.00000603494315
                   +2 :              -0.00002153483729
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005303654647
                2s
                   +0 :              -0.00073160859184
                3s
                   +0 :               0.00008438092685
                2p
                   -1 :               0.00079390973768
                   +0 :               0.00000232454226
                   +1 :              -0.00073469992383
                3p
                   -1 :              -0.00017014277765
                   +0 :              -0.00001425287306
                   +1 :               0.00017314327822
                3d
                   -2 :               0.00002561173114
                   -1 :               0.00000077754708
                   +0 :               0.00001313656694
                   +1 :               0.00000455829117
                   +2 :               0.00002615919203
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00006916713448
                2s
                   +0 :               0.00075629652540
                3s
                   +0 :              -0.00011161696513
                2p
                   -1 :               0.00071248158649
                   +0 :              -0.00013267884744
                   +1 :               0.00058906790241
                3p
                   -1 :              -0.00006593165226
                   +0 :              -0.00001910384583
                   +1 :              -0.00008925953061
                3d
                   -2 :               0.00003968270504
                   -1 :              -0.00001101993431
                   +0 :              -0.00002359903439
                   +1 :               0.00001854864673
                   +2 :              -0.00001994538253
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003718637956
                2s
                   +0 :               0.00028255022758
                3s
                   +0 :              -0.00015572073993
                2p
                   -1 :              -0.00004500036210
                   +0 :              -0.00017615405596
                   +1 :               0.00032823986650
                3p
                   -1 :               0.00008899919298
                   +0 :               0.00005460885371
                   +1 :              -0.00022137958531
                3d
                   -2 :               0.00001309242089
                   -1 :               0.00000195894263
                   +0 :               0.00000198455235
                   +1 :              -0.00000801705936
                   +2 :              -0.00000267640744
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000602914284
                2s
                   +0 :              -0.00007787558654
                3s
                   +0 :               0.00001020601389
                2p
                   -1 :               0.00005372372672
                   +0 :               0.00003496583136
                   +1 :               0.00003134290808
                3p
                   -1 :              -0.00003465648147
                   +0 :              -0.00000674183612
                   +1 :              -0.00000065151837
                3d
                   -2 :               0.00000373831586
                   -1 :              -0.00000064297132
                   +0 :              -0.00000469223428
                   +1 :               0.00000185416079
                   +2 :               0.00000040227239
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000402363912
                2s
                   +0 :              -0.00000059493313
                3s
                   +0 :               0.00002264201297
                2p
                   -1 :               0.00001182905073
                   +0 :              -0.00001009885463
                   +1 :               0.00000388588193
                3p
                   -1 :              -0.00000373860936
                   +0 :               0.00000586835010
                   +1 :              -0.00003731665464
                3d
                   -2 :              -0.00000406984655
                   -1 :               0.00000170855683
                   +0 :               0.00000131850257
                   +1 :               0.00000502632546
                   +2 :               0.00000223536597
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000098648582
                2s
                   +0 :              -0.00007873428810
                3s
                   +0 :              -0.00002152071966
                2p
                   -1 :               0.00011374829311
                   +0 :              -0.00007348838937
                   +1 :              -0.00006598209068
                3p
                   -1 :               0.00001511462831
                   +0 :               0.00005469395965
                   +1 :               0.00005088112506
                3d
                   -2 :              -0.00000325720361
                   -1 :              -0.00000369067166
                   +0 :               0.00000367577570
                   +1 :               0.00000450224047
                   +2 :              -0.00000032073827
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002643101863
                2s
                   +0 :               0.00025329649811
                3s
                   +0 :              -0.00006482855675
                2p
                   -1 :               0.00021350694115
                   +0 :              -0.00000749360084
                   +1 :               0.00010738758820
                3p
                   -1 :              -0.00005684214357
                   +0 :              -0.00000694085419
                   +1 :              -0.00003842935459
                3d
                   -2 :               0.00000186734731
                   -1 :              -0.00000556154407
                   +0 :              -0.00000135705276
                   +1 :               0.00000303465730
                   +2 :              -0.00000006995709
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000914770006
                2s
                   +0 :              -0.00006388194483
                3s
                   +0 :               0.00001163148272
                2p
                   -1 :              -0.00003051929708
                   +0 :               0.00005077697058
                   +1 :              -0.00012216852655
                3p
                   -1 :               0.00004159094890
                   +0 :              -0.00005766652260
                   +1 :               0.00005391438508
                3d
                   -2 :               0.00000329948948
                   -1 :               0.00000401726149
                   +0 :               0.00000281135542
                   +1 :              -0.00000467590415
                   +2 :               0.00000208434968
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001984795709
                2s
                   +0 :              -0.00017168779472
                3s
                   +0 :               0.00004461512257
                2p
                   -1 :              -0.00003963054923
                   +0 :              -0.00005236038413
                   +1 :               0.00012080315261
                3p
                   -1 :               0.00004395968254
                   +0 :               0.00000045428813
                   +1 :              -0.00009377208079
                3d
                   -2 :               0.00000660817949
                   -1 :               0.00000345091724
                   +0 :              -0.00000281956948
                   +1 :               0.00000019450694
                   +2 :              -0.00000438354042
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 15)  npairs=  12
              1 vec=     2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00468012863045
                2s
                   +0 :               0.09198133896961
                3s
                   +0 :              -0.01042229978148
                2p
                   -1 :               0.04304217918677
                   +0 :              -0.00470221250708
                   +1 :               0.02601713527616
                3p
                   -1 :              -0.00803633824564
                   +0 :               0.00323375206865
                   +1 :              -0.00220151609878
                3d
                   -2 :               0.00265883089491
                   -1 :               0.00021787384770
                   +0 :              -0.00149050586205
                   +1 :              -0.00134191167676
                   +2 :               0.00047288638597
              2 vec=    -5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00105336090183
                2s
                   +0 :              -0.00736978915385
                3s
                   +0 :               0.00336863650288
                2p
                   -1 :              -0.00279453053295
                   +0 :              -0.00252253005780
                   +1 :               0.00741404765895
                3p
                   -1 :              -0.00286881765842
                   +0 :               0.00291983682262
                   +1 :              -0.00531864654825
                3d
                   -2 :               0.00111021092903
                   -1 :              -0.00003569021945
                   +0 :              -0.00002411439216
                   +1 :               0.00005243141914
                   +2 :               0.00031146278969
              3 vec=     2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00077454308292
                2s
                   +0 :              -0.04427834170895
                3s
                   +0 :              -0.00292687679319
                2p
                   -1 :               0.03395483839051
                   +0 :              -0.00156186095978
                   +1 :              -0.02083816857376
                3p
                   -1 :               0.00146972279535
                   +0 :               0.00358928839212
                   +1 :              -0.00293370061214
                3d
                   -2 :               0.00287826651357
                   -1 :               0.00020086563630
                   +0 :               0.00156009804423
                   +1 :               0.00127396293394
                   +2 :               0.00124554455389
              4 vec=    -5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00069391236320
                2s
                   +0 :               0.00642315821866
                3s
                   +0 :              -0.00140294291534
                2p
                   -1 :               0.00522175476979
                   +0 :              -0.00033750246810
                   +1 :              -0.00181703207385
                3p
                   -1 :              -0.00139579661586
                   +0 :               0.00032689589502
                   +1 :              -0.00031798745100
                3d
                   -2 :              -0.00018947989819
                   -1 :               0.00001352589257
                   +0 :              -0.00007675947575
                   +1 :              -0.00006622236298
                   +2 :               0.00005530218714
              5 vec=    10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00001350293331
                2s
                   +0 :               0.00002018905726
                3s
                   +0 :               0.00013858726951
                2p
                   -1 :              -0.00022533009666
                   +0 :               0.00005828281258
                   +1 :              -0.00002824041671
                3p
                   -1 :              -0.00003914014909
                   +0 :              -0.00039787947216
                   +1 :               0.00066971072189
                3d
                   -2 :              -0.00000682597431
                   -1 :               0.00005784808211
                   +0 :              -0.00015852058130
                   +1 :              -0.00007946432407
                   +2 :               0.00013720863783
              6 vec=    -5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00096701062764
                2s
                   +0 :              -0.00787376789626
                3s
                   +0 :               0.00255380339751
                2p
                   -1 :               0.00693458655375
                   +0 :               0.00165210556219
                   +1 :               0.00385690021244
                3p
                   -1 :              -0.00221198375616
                   +0 :              -0.00116898981614
                   +1 :              -0.00138169715109
                3d
                   -2 :               0.00000326953021
                   -1 :               0.00008905906544
                   +0 :               0.00004308244500
                   +1 :               0.00007655745746
                   +2 :               0.00005625635969
              7 vec=     2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00003092394925
                2s
                   +0 :               0.00064815571275
                3s
                   +0 :               0.00003085041832
                2p
                   -1 :              -0.00001269927062
                   +0 :               0.00015731221884
                   +1 :              -0.00011270214419
                3p
                   -1 :               0.00023249196074
                   +0 :              -0.00017265370276
                   +1 :              -0.00002451083974
                3d
                   -2 :              -0.00002063091255
                   -1 :              -0.00002491283567
                   +0 :              -0.00003472023048
                   +1 :              -0.00000320648700
                   +2 :               0.00001500833100
              8 vec=    10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00004527361377
                2s
                   +0 :              -0.00024401666724
                3s
                   +0 :               0.00011609440090
                2p
                   -1 :              -0.00034391460954
                   +0 :              -0.00000249191913
                   +1 :              -0.00017758512597
                3p
                   -1 :               0.00025433807481
                   +0 :              -0.00017203017151
                   +1 :               0.00015706706397
                3d
                   -2 :              -0.00001676982956
                   -1 :              -0.00001049209493
                   +0 :              -0.00003797195696
                   +1 :              -0.00002568836695
                   +2 :              -0.00001273975419
              9 vec=   -13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00000485120890
                2s
                   +0 :               0.00020876652459
                3s
                   +0 :               0.00003491195865
                2p
                   -1 :               0.00001910736174
                   +0 :              -0.00000778418052
                   +1 :              -0.00006670691003
                3p
                   -1 :              -0.00010832735995
                   +0 :               0.00005177219641
                   +1 :              -0.00021096368872
                3d
                   -2 :               0.00000614288819
                   -1 :               0.00000406068121
                   +0 :              -0.00002803559074
                   +1 :              -0.00001526166162
                   +2 :               0.00004807350381
             10 vec=    10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00007566876732
                2s
                   +0 :               0.00046527197168
                3s
                   +0 :              -0.00022856092811
                2p
                   -1 :              -0.00055708615385
                   +0 :               0.00019042872497
                   +1 :               0.00011212618862
                3p
                   -1 :               0.00010794874167
                   +0 :              -0.00019246300619
                   +1 :              -0.00021403989984
                3d
                   -2 :              -0.00003380220242
                   -1 :              -0.00000305428897
                   +0 :               0.00001468205978
                   +1 :               0.00000141084347
                   +2 :              -0.00003633749374
             11 vec=   -13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00009589606395
                2s
                   +0 :              -0.00087900334634
                3s
                   +0 :               0.00028242803961
                2p
                   -1 :               0.00028986210016
                   +0 :               0.00008239160443
                   +1 :               0.00071092928443
                3p
                   -1 :              -0.00020996711536
                   +0 :              -0.00004911755126
                   +1 :              -0.00032031669264
                3d
                   -2 :               0.00001657235687
                   -1 :              -0.00001021266655
                   +0 :              -0.00001632636021
                   +1 :               0.00001774625600
                   +2 :               0.00001303636288
             12 vec=     2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00001924804696
                2s
                   +0 :              -0.00044806419515
                3s
                   +0 :               0.00004834506419
                2p
                   -1 :               0.00069266193965
                   +0 :              -0.00014063057286
                   +1 :               0.00039847807092
                3p
                   -1 :              -0.00025470824597
                   +0 :               0.00028056504183
                   +1 :              -0.00019840038866
                3d
                   -2 :               0.00000244292296
                   -1 :               0.00001050415770
                   +0 :               0.00001139981667
                   +1 :               0.00001386667772
                   +2 :              -0.00000747357543
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 16)  npairs=  14
              1 vec=     0.000000      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005132313966
                2s
                   +0 :               0.00024981349683
                3s
                   +0 :              -0.00007130881259
                2p
                   -1 :              -0.00025583003925
                   +0 :               0.00002703416685
                   +1 :               0.00027078880672
                3p
                   -1 :               0.00006098193224
                   +0 :               0.00006479977772
                   +1 :              -0.00002870555869
                3d
                   -2 :               0.00001581028648
                   -1 :               0.00001286585944
                   +0 :              -0.00001467021467
                   +1 :              -0.00002476737520
                   +2 :               0.00001146703249
              2 vec=     0.000000      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00001119786656
                2s
                   +0 :               0.00034131236634
                3s
                   +0 :              -0.00001642630371
                2p
                   -1 :              -0.00017530287640
                   +0 :              -0.00001033100395
                   +1 :               0.00000817756873
                3p
                   -1 :               0.00000460351254
                   +0 :               0.00006788755583
                   +1 :               0.00003021953520
                3d
                   -2 :              -0.00001177104315
                   -1 :              -0.00001804096074
                   +0 :               0.00001076473619
                   +1 :               0.00000123001425
                   +2 :              -0.00000545920817
              3 vec=     0.000000     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00003725061477
                2s
                   +0 :               0.00018967353246
                3s
                   +0 :              -0.00008583988817
                2p
                   -1 :               0.00021374527030
                   +0 :              -0.00004561019361
                   +1 :              -0.00022461230856
                3p
                   -1 :              -0.00019681604432
                   +0 :               0.00006639825621
                   +1 :               0.00003759377656
                3d
                   -2 :              -0.00001733176666
                   -1 :               0.00001422854250
                   +0 :              -0.00003483415688
                   +1 :               0.00002251719295
                   +2 :               0.00001330809148
              4 vec=     0.000000     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00003627276744
                2s
                   +0 :              -0.00055018406207
                3s
                   +0 :              -0.00009622962590
                2p
                   -1 :               0.00012267407735
                   +0 :              -0.00006596084421
                   +1 :               0.00017808288692
                3p
                   -1 :              -0.00001337849636
                   +0 :              -0.00038667399369
                   +1 :              -0.00018378586325
                3d
                   -2 :               0.00000250172769
                   -1 :               0.00002957315893
                   +0 :              -0.00007060625975
                   +1 :              -0.00000011732010
                   +2 :               0.00000219733464
              5 vec=    -7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004677823693
                2s
                   +0 :               0.00026245003577
                3s
                   +0 :              -0.00016524643151
                2p
                   -1 :               0.00024185789943
                   +0 :              -0.00021972818441
                   +1 :              -0.00004825464103
                3p
                   -1 :              -0.00021919233144
                   +0 :               0.00033864774321
                   +1 :               0.00009141454842
                3d
                   -2 :              -0.00000405319255
                   -1 :               0.00000424562030
                   +0 :              -0.00002927311221
                   +1 :              -0.00002004729098
                   +2 :              -0.00000613988714
              6 vec=    -7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001171688388
                2s
                   +0 :              -0.00035321710470
                3s
                   +0 :              -0.00002617279296
                2p
                   -1 :               0.00008172035713
                   +0 :               0.00002359911063
                   +1 :              -0.00004549056604
                3p
                   -1 :               0.00005251334709
                   +0 :              -0.00027596308692
                   +1 :               0.00008727451534
                3d
                   -2 :              -0.00000593553975
                   -1 :               0.00002851323426
                   +0 :              -0.00002009436497
                   +1 :               0.00002124433759
                   +2 :              -0.00001798246524
              7 vec=     7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00012721178152
                2s
                   +0 :              -0.00110440145485
                3s
                   +0 :               0.00030584720094
                2p
                   -1 :               0.00017648507104
                   +0 :               0.00095787584720
                   +1 :              -0.00063767610775
                3p
                   -1 :               0.00001282591100
                   +0 :              -0.00046536847688
                   +1 :               0.00049317450664
                3d
                   -2 :              -0.00001477646347
                   -1 :              -0.00003188587552
                   +0 :               0.00000004347171
                   +1 :              -0.00002913670826
                   +2 :               0.00001647386954
              8 vec=     7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001971399871
                2s
                   +0 :              -0.00017600089056
                3s
                   +0 :               0.00004772855662
                2p
                   -1 :               0.00025052327604
                   +0 :              -0.00009880423403
                   +1 :               0.00000726058366
                3p
                   -1 :              -0.00012621950525
                   +0 :               0.00000656198543
                   +1 :              -0.00003750716382
                3d
                   -2 :               0.00000925719973
                   -1 :               0.00001703235336
                   +0 :              -0.00000291089421
                   +1 :               0.00000298014385
                   +2 :              -0.00000847014381
              9 vec=    -7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001293070804
                2s
                   +0 :               0.00019919759409
                3s
                   +0 :               0.00000644013721
                2p
                   -1 :              -0.00006266464660
                   +0 :               0.00003478246677
                   +1 :              -0.00012563626050
                3p
                   -1 :               0.00010071611507
                   +0 :              -0.00013995303777
                   +1 :               0.00005084286955
                3d
                   -2 :               0.00000371046646
                   -1 :              -0.00000852800321
                   +0 :               0.00000808844128
                   +1 :               0.00000087420442
                   +2 :              -0.00001076637451
             10 vec=    -7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002597048527
                2s
                   +0 :               0.00017047513805
                3s
                   +0 :              -0.00009432687129
                2p
                   -1 :              -0.00004505737664
                   +0 :               0.00024176209733
                   +1 :              -0.00006505382517
                3p
                   -1 :               0.00001582200570
                   +0 :              -0.00015280727140
                   +1 :               0.00004617652098
                3d
                   -2 :               0.00000729707230
                   -1 :              -0.00000915580898
                   +0 :              -0.00000631202957
                   +1 :               0.00000631798735
                   +2 :               0.00000837679053
             11 vec=     7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00014091157154
                2s
                   +0 :              -0.00133870661584
                3s
                   +0 :               0.00026598656623
                2p
                   -1 :              -0.00042381388598
                   +0 :               0.00055874594003
                   +1 :               0.00009245046281
                3p
                   -1 :               0.00013046847906
                   +0 :              -0.00025130078397
                   +1 :              -0.00005159897475
                3d
                   -2 :              -0.00000257139321
                   -1 :               0.00001765642594
                   +0 :               0.00000711934512
                   +1 :               0.00001003813227
                   +2 :               0.00002647508572
             12 vec=     7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002965777741
                2s
                   +0 :               0.00023876540300
                3s
                   +0 :              -0.00005053413443
                2p
                   -1 :               0.00000486606927
                   +0 :               0.00006735183103
                   +1 :              -0.00000979507409
                3p
                   -1 :              -0.00000292219117
                   +0 :               0.00001034795008
                   +1 :               0.00004339276534
                3d
                   -2 :               0.00000003387199
                   -1 :               0.00000456676879
                   +0 :               0.00000789108006
                   +1 :               0.00000505965527
                   +2 :              -0.00000984996426
             13 vec=     0.000000     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001814925541
                2s
                   +0 :               0.00024134439816
                3s
                   +0 :              -0.00002176420619
                2p
                   -1 :               0.00026863297155
                   +0 :              -0.00015875315256
                   +1 :               0.00013719691959
                3p
                   -1 :              -0.00012665668071
                   +0 :               0.00002955932895
                   +1 :              -0.00002987324369
                3d
                   -2 :               0.00000644307352
                   -1 :              -0.00000044680684
                   +0 :               0.00000747317960
                   +1 :               0.00000105567347
                   +2 :               0.00000126927206
             14 vec=     0.000000     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001802074654
                2s
                   +0 :               0.00018480922052
                3s
                   +0 :              -0.00001761118947
                2p
                   -1 :               0.00007927363750
                   +0 :               0.00006187480026
                   +1 :              -0.00001022701426
                3p
                   -1 :               0.00001614172971
                   +0 :               0.00001968855471
                   +1 :               0.00001887527983
                3d
                   -2 :               0.00000400180200
                   -1 :               0.00000213265996
                   +0 :               0.00000016419123
                   +1 :               0.00000381941865
                   +2 :              -0.00000159666657
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 17)  npairs=  18
              1 vec=    -3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00010709295065
                2s
                   +0 :              -0.00081515804353
                3s
                   +0 :               0.00040323840674
                2p
                   -1 :               0.00042671826087
                   +0 :               0.00075823882567
                   +1 :              -0.00030937284644
                3p
                   -1 :              -0.00035644347020
                   +0 :              -0.00061024537066
                   +1 :               0.00025800469989
                3d
                   -2 :              -0.00001099479358
                   -1 :               0.00001855698032
                   +0 :               0.00007421071904
                   +1 :              -0.00000388132192
                   +2 :              -0.00001931124103
              2 vec=    -3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00009430509703
                2s
                   +0 :               0.00062776053169
                3s
                   +0 :              -0.00041837182884
                2p
                   -1 :               0.00005739285429
                   +0 :               0.00057637026565
                   +1 :              -0.00015828322275
                3p
                   -1 :              -0.00003698492461
                   +0 :              -0.00056132284267
                   +1 :              -0.00000103962477
                3d
                   -2 :               0.00001787923123
                   -1 :              -0.00000495574485
                   +0 :              -0.00003423136856
                   +1 :               0.00000051084827
                   +2 :              -0.00000447066676
              3 vec=     4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00005468411677
                2s
                   +0 :              -0.00047989511706
                3s
                   +0 :               0.00008516715916
                2p
                   -1 :              -0.00008935434516
                   +0 :               0.00003008065361
                   +1 :               0.00072719737809
                3p
                   -1 :              -0.00007310532153
                   +0 :               0.00003502765961
                   +1 :              -0.00017910966712
                3d
                   -2 :              -0.00002553564860
                   -1 :               0.00002153193966
                   +0 :               0.00000739903361
                   +1 :              -0.00003141473736
                   +2 :               0.00002487977287
              4 vec=     4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00007806752660
                2s
                   +0 :               0.00041854099498
                3s
                   +0 :              -0.00021556912618
                2p
                   -1 :              -0.00012166559156
                   +0 :               0.00031417665269
                   +1 :               0.00013532207813
                3p
                   -1 :              -0.00017917948661
                   +0 :              -0.00025576085873
                   +1 :               0.00010739301935
                3d
                   -2 :              -0.00002318099820
                   -1 :              -0.00005411871378
                   +0 :              -0.00002348797185
                   +1 :               0.00003687959037
                   +2 :               0.00000398642938
              5 vec=    -3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00009832568572
                2s
                   +0 :               0.00098842632368
                3s
                   +0 :              -0.00016393390441
                2p
                   -1 :               0.00022794633907
                   +0 :              -0.00058343535176
                   +1 :               0.00010411050101
                3p
                   -1 :               0.00004071408616
                   +0 :               0.00011269215150
                   +1 :              -0.00004963406864
                3d
                   -2 :              -0.00000588515662
                   -1 :              -0.00003373660222
                   +0 :               0.00000165227583
                   +1 :              -0.00000324901171
                   +2 :              -0.00002091531500
              6 vec=    -3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005814521510
                2s
                   +0 :               0.00090247810906
                3s
                   +0 :              -0.00006800966392
                2p
                   -1 :               0.00014176220798
                   +0 :               0.00058682534641
                   +1 :               0.00005790560422
                3p
                   -1 :               0.00009292485239
                   +0 :               0.00005789213475
                   +1 :              -0.00008692987953
                3d
                   -2 :              -0.00000669545720
                   -1 :               0.00002656235037
                   +0 :               0.00003596399262
                   +1 :              -0.00000608136086
                   +2 :              -0.00002812480750
              7 vec=     4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00008432025826
                2s
                   +0 :               0.00060587515706
                3s
                   +0 :              -0.00016192900332
                2p
                   -1 :              -0.00037995598649
                   +0 :              -0.00043134605637
                   +1 :               0.00026668635901
                3p
                   -1 :               0.00031635309736
                   +0 :               0.00029027217286
                   +1 :              -0.00017553795618
                3d
                   -2 :               0.00000993207214
                   -1 :               0.00000582034380
                   +0 :              -0.00001217072588
                   +1 :              -0.00000645936555
                   +2 :              -0.00001304905428
              8 vec=     4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001477055012
                2s
                   +0 :              -0.00007478343227
                3s
                   +0 :               0.00008145831657
                2p
                   -1 :              -0.00029623388121
                   +0 :              -0.00006799032911
                   +1 :              -0.00044699407935
                3p
                   -1 :               0.00021283649430
                   +0 :               0.00009735430342
                   +1 :               0.00025540220382
                3d
                   -2 :               0.00000720104488
                   -1 :               0.00000670187239
                   +0 :               0.00003035139988
                   +1 :               0.00000827422348
                   +2 :               0.00000010303676
              9 vec=   -10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001778261336
                2s
                   +0 :               0.00023198689362
                3s
                   +0 :              -0.00002175679253
                2p
                   -1 :               0.00002837696873
                   +0 :               0.00003931715261
                   +1 :              -0.00000581667915
                3p
                   -1 :              -0.00004133078407
                   +0 :              -0.00003066426865
                   +1 :              -0.00006721801658
                3d
                   -2 :               0.00000073870978
                   -1 :               0.00001301967055
                   +0 :              -0.00000161505536
                   +1 :               0.00000027271560
                   +2 :               0.00000702720103
             10 vec=   -10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002916783847
                2s
                   +0 :              -0.00022131532935
                3s
                   +0 :               0.00010477185981
                2p
                   -1 :               0.00000545809215
                   +0 :              -0.00009399778392
                   +1 :               0.00021232430366
                3p
                   -1 :              -0.00003819732746
                   +0 :               0.00007163371236
                   +1 :              -0.00017861603757
                3d
                   -2 :               0.00000080609715
                   -1 :               0.00000152432291
                   +0 :               0.00000329162273
                   +1 :              -0.00001013291122
                   +2 :               0.00001561809760
             11 vec=    -3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00006428199952
                2s
                   +0 :               0.00040511959892
                3s
                   +0 :              -0.00022948764211
                2p
                   -1 :              -0.00035136925130
                   +0 :              -0.00043089376727
                   +1 :              -0.00000668267312
                3p
                   -1 :               0.00034391900025
                   +0 :               0.00047656959431
                   +1 :               0.00000864030859
                3d
                   -2 :              -0.00000864157479
                   -1 :              -0.00002547153962
                   +0 :              -0.00002687541539
                   +1 :               0.00000477945805
                   +2 :              -0.00000450167569
             12 vec=    -3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000008061028
                2s
                   +0 :              -0.00007113617603
                3s
                   +0 :              -0.00002237131801
                2p
                   -1 :              -0.00001023437447
                   +0 :              -0.00000232374521
                   +1 :              -0.00015777475974
                3p
                   -1 :               0.00005133157856
                   +0 :              -0.00006206355215
                   +1 :               0.00012427398811
                3d
                   -2 :              -0.00000912811006
                   -1 :              -0.00000034513613
                   +0 :              -0.00000093825698
                   +1 :               0.00001157806436
                   +2 :              -0.00000188302197
             13 vec=   -10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000603087602
                2s
                   +0 :               0.00003067519078
                3s
                   +0 :              -0.00001830109899
                2p
                   -1 :              -0.00003471326846
                   +0 :               0.00003691963405
                   +1 :              -0.00005895355608
                3p
                   -1 :               0.00003334181955
                   +0 :              -0.00000614967496
                   +1 :               0.00006711185500
                3d
                   -2 :              -0.00000407248546
                   -1 :              -0.00000695439089
                   +0 :              -0.00000072046655
                   +1 :               0.00000130246538
                   +2 :              -0.00000633942309
             14 vec=   -10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002673738305
                2s
                   +0 :              -0.00027116964630
                3s
                   +0 :               0.00004881167792
                2p
                   -1 :              -0.00004868644762
                   +0 :              -0.00006868913093
                   +1 :               0.00014376556534
                3p
                   -1 :               0.00008463689901
                   +0 :              -0.00001733316999
                   +1 :              -0.00005265784885
                3d
                   -2 :              -0.00000618070853
                   -1 :               0.00000313072290
                   +0 :              -0.00000459118017
                   +1 :              -0.00000230721404
                   +2 :               0.00000102380462
             15 vec=     4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002684917851
                2s
                   +0 :              -0.00024262525411
                3s
                   +0 :               0.00005204370932
                2p
                   -1 :              -0.00005133134219
                   +0 :               0.00010527757133
                   +1 :               0.00004916552309
                3p
                   -1 :              -0.00003938962112
                   +0 :              -0.00005842782157
                   +1 :               0.00005165517886
                3d
                   -2 :               0.00000655520006
                   -1 :               0.00000395370472
                   +0 :               0.00000153619559
                   +1 :              -0.00000524306707
                   +2 :               0.00000478399470
             16 vec=     4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000827729105
                2s
                   +0 :               0.00012087509934
                3s
                   +0 :              -0.00000236083052
                2p
                   -1 :               0.00011948360529
                   +0 :               0.00004275637811
                   +1 :              -0.00002232994527
                3p
                   -1 :              -0.00006321095549
                   +0 :              -0.00000296905289
                   +1 :               0.00001181083744
                3d
                   -2 :              -0.00000352410617
                   -1 :              -0.00000318301877
                   +0 :               0.00000258437082
                   +1 :              -0.00000224355689
                   +2 :              -0.00000048478659
             17 vec=    12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000873175209
                2s
                   +0 :              -0.00006635013500
                3s
                   +0 :              -0.00007638803633
                2p
                   -1 :               0.00015982480691
                   +0 :               0.00003562916145
                   +1 :              -0.00002994409607
                3p
                   -1 :              -0.00005867378089
                   +0 :              -0.00003150290628
                   +1 :              -0.00000851828835
                3d
                   -2 :               0.00000061536198
                   -1 :               0.00000602435653
                   +0 :              -0.00000638671041
                   +1 :              -0.00000412145501
                   +2 :               0.00000547216562
             18 vec=    12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002409309790
                2s
                   +0 :               0.00020400212936
                3s
                   +0 :              -0.00006420134032
                2p
                   -1 :              -0.00005680605101
                   +0 :               0.00010979848903
                   +1 :               0.00007419703297
                3p
                   -1 :               0.00001175673345
                   +0 :              -0.00005236773799
                   +1 :              -0.00004578149753
                3d
                   -2 :               0.00000587481887
                   -1 :              -0.00000134896447
                   +0 :              -0.00000597438639
                   +1 :              -0.00000843789890
                   +2 :              -0.00000993338427
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 18)  npairs=  14
              1 vec=     2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00002547604995
                2s
                   +0 :              -0.00029668474359
                3s
                   +0 :               0.00015950760570
                2p
                   -1 :               0.00014325072827
                   +0 :               0.00042287113652
                   +1 :               0.00053602968618
                3p
                   -1 :               0.00008762807762
                   +0 :              -0.00043627903580
                   +1 :              -0.00036861545117
                3d
                   -2 :               0.00001353806758
                   -1 :              -0.00002430409072
                   +0 :               0.00005030922794
                   +1 :               0.00002869956797
                   +2 :               0.00003667150623
              2 vec=     2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006848788402
                2s
                   +0 :               0.00056456911163
                3s
                   +0 :              -0.00030073007625
                2p
                   -1 :              -0.00010123309483
                   +0 :               0.00038586936476
                   +1 :               0.00008048352613
                3p
                   -1 :               0.00009604447629
                   +0 :              -0.00034382012346
                   +1 :              -0.00000351569019
                3d
                   -2 :              -0.00000949410255
                   -1 :              -0.00000380475731
                   +0 :              -0.00002330370890
                   +1 :              -0.00001175519911
                   +2 :              -0.00000365965070
              3 vec=    -5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004824551898
                2s
                   +0 :               0.00080964629852
                3s
                   +0 :               0.00005475012674
                2p
                   -1 :              -0.00073967610369
                   +0 :              -0.00041753603248
                   +1 :              -0.00028902847835
                3p
                   -1 :               0.00029289687991
                   +0 :              -0.00004851326439
                   +1 :              -0.00004726189487
                3d
                   -2 :               0.00000354515177
                   -1 :               0.00001256020839
                   +0 :               0.00002298528632
                   +1 :               0.00005537529943
                   +2 :               0.00001246374116
              4 vec=    -5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00003533886237
                2s
                   +0 :              -0.00015700760276
                3s
                   +0 :               0.00008141642725
                2p
                   -1 :              -0.00061159983952
                   +0 :               0.00010664496129
                   +1 :              -0.00070089032895
                3p
                   -1 :               0.00013613764376
                   +0 :               0.00002069931121
                   +1 :               0.00030667144263
                3d
                   -2 :               0.00000830357317
                   -1 :              -0.00001654188400
                   +0 :               0.00000374793486
                   +1 :              -0.00001569722748
                   +2 :               0.00002372436736
              5 vec=    -5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000261543239
                2s
                   +0 :              -0.00010275614057
                3s
                   +0 :              -0.00001249436326
                2p
                   -1 :              -0.00000191459626
                   +0 :               0.00040446634059
                   +1 :               0.00051290529120
                3p
                   -1 :              -0.00002241666644
                   +0 :              -0.00028150288940
                   +1 :              -0.00038711862005
                3d
                   -2 :               0.00003116848585
                   -1 :               0.00000087609359
                   +0 :               0.00002078663818
                   +1 :               0.00001758812212
                   +2 :               0.00000454436071
              6 vec=    -5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00003675545539
                2s
                   +0 :              -0.00028406956432
                3s
                   +0 :               0.00006930736189
                2p
                   -1 :               0.00012892248692
                   +0 :              -0.00018055023706
                   +1 :              -0.00014584012198
                3p
                   -1 :              -0.00014284551361
                   +0 :               0.00011227640351
                   +1 :               0.00017251917446
                3d
                   -2 :               0.00000389163529
                   -1 :              -0.00002061975650
                   +0 :               0.00003642822902
                   +1 :               0.00001442278179
                   +2 :              -0.00000754495443
              7 vec=     2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004600917542
                2s
                   +0 :               0.00036609410816
                3s
                   +0 :              -0.00013928350048
                2p
                   -1 :              -0.00002350651339
                   +0 :              -0.00019268709719
                   +1 :               0.00006909940591
                3p
                   -1 :               0.00005926609895
                   +0 :               0.00005638285491
                   +1 :               0.00002414036370
                3d
                   -2 :              -0.00000544250540
                   -1 :              -0.00000881014375
                   +0 :              -0.00001306661486
                   +1 :              -0.00000278333140
                   +2 :              -0.00000585424795
              8 vec=     2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00008128622527
                2s
                   +0 :               0.00073117775214
                3s
                   +0 :              -0.00015429716871
                2p
                   -1 :               0.00021414718693
                   +0 :               0.00047682447959
                   +1 :               0.00016753164845
                3p
                   -1 :              -0.00006909804961
                   +0 :              -0.00012612045002
                   +1 :              -0.00012466681498
                3d
                   -2 :              -0.00000747650566
                   -1 :               0.00001807773160
                   +0 :               0.00001009608922
                   +1 :              -0.00000955577529
                   +2 :               0.00000627881806
              9 vec=     2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002027495722
                2s
                   +0 :              -0.00002349596034
                3s
                   +0 :               0.00008818094339
                2p
                   -1 :               0.00033379942040
                   +0 :               0.00018048588087
                   +1 :               0.00003427934262
                3p
                   -1 :              -0.00027310072757
                   +0 :              -0.00011826647823
                   +1 :              -0.00008219441136
                3d
                   -2 :              -0.00001174717346
                   -1 :               0.00002706356163
                   +0 :               0.00000779417451
                   +1 :              -0.00000229906796
                   +2 :              -0.00000556391316
             10 vec=     2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000521798650
                2s
                   +0 :              -0.00000221666705
                3s
                   +0 :              -0.00002464679782
                2p
                   -1 :               0.00009628030556
                   +0 :               0.00021122957240
                   +1 :               0.00025950048127
                3p
                   -1 :              -0.00006512216310
                   +0 :              -0.00022411349971
                   +1 :              -0.00027484956760
                3d
                   -2 :               0.00002281600051
                   -1 :              -0.00000632370174
                   +0 :              -0.00001488280361
                   +1 :              -0.00003120620090
                   +2 :              -0.00000315584949
             11 vec=    10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00010001570440
                2s
                   +0 :              -0.00097835195122
                3s
                   +0 :               0.00012078436097
                2p
                   -1 :               0.00004806222563
                   +0 :               0.00039920042058
                   +1 :              -0.00033175135248
                3p
                   -1 :               0.00007679068254
                   +0 :              -0.00001879005038
                   +1 :               0.00008230480707
                3d
                   -2 :               0.00001077860976
                   -1 :              -0.00002013883188
                   +0 :              -0.00001466331794
                   +1 :               0.00003764535460
                   +2 :              -0.00001069415144
             12 vec=    10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000511857909
                2s
                   +0 :               0.00010211521994
                3s
                   +0 :               0.00003764549706
                2p
                   -1 :              -0.00013421067528
                   +0 :              -0.00004536403370
                   +1 :               0.00001806669943
                3p
                   -1 :               0.00014048585955
                   +0 :               0.00010317359178
                   +1 :              -0.00001934115363
                3d
                   -2 :               0.00000676113304
                   -1 :               0.00000628280187
                   +0 :               0.00001487544060
                   +1 :               0.00000229508704
                   +2 :              -0.00000777728444
             13 vec=    10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000773949713
                2s
                   +0 :               0.00001002450104
                3s
                   +0 :              -0.00003362853683
                2p
                   -1 :               0.00000942018904
                   +0 :               0.00004205047006
                   +1 :               0.00000417599639
                3p
                   -1 :               0.00007164169499
                   +0 :              -0.00000649065626
                   +1 :               0.00001555046992
                3d
                   -2 :              -0.00000104989728
                   -1 :              -0.00000178124985
                   +0 :               0.00000213208872
                   +1 :              -0.00000186176262
                   +2 :               0.00000969910210
             14 vec=    10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001825503290
                2s
                   +0 :              -0.00012666461591
                3s
                   +0 :               0.00007688447102
                2p
                   -1 :               0.00011740358850
                   +0 :              -0.00018126172372
                   +1 :              -0.00009071995251
                3p
                   -1 :              -0.00006606440403
                   +0 :               0.00009953563113
                   +1 :               0.00004928179935
                3d
                   -2 :               0.00000561036294
                   -1 :              -0.00000577329769
                   +0 :               0.00000438248915
                   +1 :              -0.00000094379876
                   +2 :              -0.00000216234991
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 19)  npairs=  15
              1 vec=     2.174555      4.491729      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00020548226098
                2s
                   +0 :               0.00187966755049
                3s
                   +0 :              -0.00006943012723
                2p
                   -1 :               0.00015558846399
                   +0 :               0.00217695698494
                   +1 :               0.00103216319235
                3p
                   -1 :               0.00040863286593
                   +0 :               0.00001845356485
                   +1 :               0.00052289978529
                3d
                   -2 :               0.00012911958035
                   -1 :               0.00007381585434
                   +0 :               0.00000373170455
                   +1 :               0.00012148554217
                   +2 :               0.00000802294266
              2 vec=     2.174555     -4.492029      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00013965552191
                2s
                   +0 :               0.00021681882500
                3s
                   +0 :              -0.00061548729277
                2p
                   -1 :               0.00092835875442
                   +0 :              -0.00060909378975
                   +1 :               0.00255437743506
                3p
                   -1 :              -0.00020565086217
                   +0 :              -0.00019134313248
                   +1 :              -0.00123179427217
                3d
                   -2 :               0.00006342005762
                   -1 :               0.00005869792404
                   +0 :               0.00011071574510
                   +1 :               0.00003460600195
                   +2 :              -0.00016680186386
              3 vec=    -5.605607     -0.000150      8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00040620453211
                2s
                   +0 :              -0.00387078448245
                3s
                   +0 :               0.00077028981429
                2p
                   -1 :               0.00021573507569
                   +0 :              -0.00241149738630
                   +1 :               0.00227300105791
                3p
                   -1 :              -0.00100095104120
                   +0 :               0.00058593553746
                   +1 :              -0.00101724229523
                3d
                   -2 :               0.00003195077427
                   -1 :              -0.00011385445343
                   +0 :              -0.00016402758053
                   +1 :               0.00000097790128
                   +2 :              -0.00000022272482
              4 vec=     9.954718     -0.000150      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00005069833300
                2s
                   +0 :               0.00048649695797
                3s
                   +0 :              -0.00009083543534
                2p
                   -1 :               0.00076298298121
                   +0 :               0.00026818273393
                   +1 :              -0.00029917813319
                3p
                   -1 :              -0.00047527036999
                   +0 :               0.00007658703940
                   +1 :               0.00028557861652
                3d
                   -2 :              -0.00000787546261
                   -1 :              -0.00001805216694
                   +0 :               0.00003636625892
                   +1 :               0.00003115732601
                   +2 :              -0.00003195679224
              5 vec=    -5.605607      8.983608      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00000271965668
                2s
                   +0 :               0.00042478452671
                3s
                   +0 :               0.00002132298790
                2p
                   -1 :               0.00001228369731
                   +0 :              -0.00027850372800
                   +1 :               0.00011524112040
                3p
                   -1 :               0.00014363419237
                   +0 :               0.00026566547193
                   +1 :              -0.00036442419412
                3d
                   -2 :              -0.00003337489055
                   -1 :              -0.00001548658622
                   +0 :               0.00000616827872
                   +1 :              -0.00001046093645
                   +2 :               0.00002878820114
              6 vec=    -5.605607     -8.983908      8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00007131384522
                2s
                   +0 :              -0.00097053409404
                3s
                   +0 :               0.00020113618025
                2p
                   -1 :               0.00022158641737
                   +0 :              -0.00045314532993
                   +1 :               0.00007123997638
                3p
                   -1 :               0.00002972396757
                   +0 :               0.00010017786113
                   +1 :               0.00000916872401
                3d
                   -2 :               0.00003350598502
                   -1 :              -0.00002346548813
                   +0 :              -0.00000728504862
                   +1 :              -0.00001044870500
                   +2 :               0.00003909925332
              7 vec=     9.954718      8.983608      8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00001945639857
                2s
                   +0 :               0.00016558562354
                3s
                   +0 :              -0.00003353873372
                2p
                   -1 :              -0.00012224459833
                   +0 :               0.00002298072995
                   +1 :               0.00019842950657
                3p
                   -1 :               0.00009631283093
                   +0 :               0.00003524378035
                   +1 :              -0.00007896062851
                3d
                   -2 :              -0.00000153388521
                   -1 :               0.00001610246119
                   +0 :              -0.00000833472288
                   +1 :              -0.00001027310005
                   +2 :              -0.00000875110303
              8 vec=     9.954718     -8.983908      8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00002216314072
                2s
                   +0 :               0.00015769418472
                3s
                   +0 :              -0.00008737007439
                2p
                   -1 :               0.00004948588045
                   +0 :              -0.00012263510382
                   +1 :               0.00003148143114
                3p
                   -1 :              -0.00007588600116
                   +0 :               0.00004375716398
                   +1 :              -0.00004678720080
                3d
                   -2 :              -0.00000199109784
                   -1 :              -0.00001197110751
                   +0 :               0.00000324090974
                   +1 :              -0.00001068454111
                   +2 :              -0.00000478675989
              9 vec=     2.174555     13.475487      8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00000622600204
                2s
                   +0 :               0.00010930100642
                3s
                   +0 :               0.00003157873269
                2p
                   -1 :               0.00016567932286
                   +0 :               0.00001001812446
                   +1 :              -0.00014168625712
                3p
                   -1 :              -0.00007351685364
                   +0 :               0.00005490517398
                   +1 :               0.00010913321968
                3d
                   -2 :               0.00000058306033
                   -1 :               0.00000840910801
                   +0 :               0.00000867209793
                   +1 :               0.00001794270476
                   +2 :               0.00001466982485
             10 vec=     2.174555    -13.475787      8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00007001251782
                2s
                   +0 :               0.00038489442127
                3s
                   +0 :              -0.00025783671417
                2p
                   -1 :              -0.00021993990008
                   +0 :               0.00002435788178
                   +1 :               0.00001581505676
                3p
                   -1 :               0.00023050398658
                   +0 :              -0.00005948959533
                   +1 :              -0.00006819062116
                3d
                   -2 :               0.00001841572310
                   -1 :              -0.00000019400518
                   +0 :              -0.00000781430088
                   +1 :               0.00000910061696
                   +2 :               0.00000463679681
             11 vec=   -13.385770      4.491729      8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00004528390800
                2s
                   +0 :              -0.00026318262493
                3s
                   +0 :               0.00013238537010
                2p
                   -1 :               0.00011557913710
                   +0 :              -0.00005219800222
                   +1 :               0.00005360015405
                3p
                   -1 :              -0.00012319493584
                   +0 :               0.00004481062054
                   +1 :              -0.00005888186117
                3d
                   -2 :               0.00000094929007
                   -1 :              -0.00000174774051
                   +0 :              -0.00000046004978
                   +1 :              -0.00000666465923
                   +2 :               0.00000275384484
             12 vec=   -13.385770     -4.492029      8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00000221932725
                2s
                   +0 :              -0.00010760850139
                3s
                   +0 :              -0.00001805139399
                2p
                   -1 :               0.00000745555658
                   +0 :              -0.00008987295133
                   +1 :              -0.00002726949062
                3p
                   -1 :              -0.00000307911019
                   +0 :               0.00006275028471
                   +1 :               0.00010392472022
                3d
                   -2 :              -0.00000212306133
                   -1 :              -0.00000375143206
                   +0 :               0.00001892432212
                   +1 :              -0.00000192875866
                   +2 :              -0.00000686522638
             13 vec=     2.174555      4.491729    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00001634974075
                2s
                   +0 :              -0.00013280985956
                3s
                   +0 :               0.00003242856525
                2p
                   -1 :              -0.00001419449820
                   +0 :               0.00009479009655
                   +1 :               0.00002634212881
                3p
                   -1 :              -0.00000008206887
                   +0 :              -0.00002480084528
                   +1 :               0.00002586251236
                3d
                   -2 :               0.00000144451200
                   -1 :               0.00000492810684
                   +0 :              -0.00000579071678
                   +1 :              -0.00000344996124
                   +2 :              -0.00000310135230
             14 vec=     2.174555     -4.492029    -16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00000516249571
                2s
                   +0 :               0.00007140953009
                3s
                   +0 :               0.00000717511827
                2p
                   -1 :               0.00003179407245
                   +0 :               0.00001456328143
                   +1 :              -0.00000458216795
                3p
                   -1 :              -0.00002179112032
                   +0 :              -0.00000215098166
                   +1 :              -0.00000781689470
                3d
                   -2 :              -0.00000226665484
                   -1 :               0.00000311082618
                   +0 :               0.00000134124695
                   +1 :               0.00000072878370
                   +2 :               0.00000044916392
             15 vec=    -5.605607     -0.000150    -16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00001754710102
                2s
                   +0 :               0.00022104857520
                3s
                   +0 :              -0.00001527818584
                2p
                   -1 :              -0.00019449807899
                   +0 :              -0.00001538263769
                   +1 :              -0.00003578796555
                3p
                   -1 :               0.00007468443397
                   +0 :              -0.00009150245576
                   +1 :               0.00003730307553
                3d
                   -2 :               0.00000162368087
                   -1 :               0.00000987286956
                   +0 :               0.00000828964138
                   +1 :              -0.00000399817941
                   +2 :              -0.00000287911936
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 20)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00028690111424
                2s
                   +0 :              -0.00247228733843
                3s
                   +0 :               0.00055411886221
                2p
                   -1 :              -0.00384891038705
                   +0 :              -0.00214774255102
                   +1 :              -0.00183050552197
                3p
                   -1 :               0.00228514409358
                   +0 :               0.00083256499079
                   +1 :               0.00050586756323
                3d
                   -2 :              -0.00002894442007
                   -1 :               0.00008939730372
                   +0 :              -0.00008100540089
                   +1 :               0.00000916166770
                   +2 :               0.00004926522621
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00013895928323
                2s
                   +0 :               0.00189559940615
                3s
                   +0 :               0.00021901510929
                2p
                   -1 :               0.00137795685760
                   +0 :               0.00356237350219
                   +1 :              -0.00188052498608
                3p
                   -1 :              -0.00016124457955
                   +0 :              -0.00041701330913
                   +1 :              -0.00008559927343
                3d
                   -2 :              -0.00005095604478
                   -1 :               0.00014684041347
                   +0 :               0.00004993655534
                   +1 :              -0.00015708483186
                   +2 :              -0.00000835371761
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00004806545259
                2s
                   +0 :              -0.00077406825785
                3s
                   +0 :              -0.00030073046263
                2p
                   -1 :              -0.00190630501103
                   +0 :              -0.00097757318071
                   +1 :              -0.00251681593928
                3p
                   -1 :               0.00207803821073
                   +0 :               0.00032602534621
                   +1 :               0.00147552008778
                3d
                   -2 :              -0.00012583079751
                   -1 :               0.00022989468169
                   +0 :               0.00008465408715
                   +1 :              -0.00001111302489
                   +2 :               0.00004425382172
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00008192895301
                2s
                   +0 :               0.00097236489199
                3s
                   +0 :              -0.00013895278676
                2p
                   -1 :               0.00038868007285
                   +0 :              -0.00003913388291
                   +1 :               0.00049246012066
                3p
                   -1 :              -0.00016057790819
                   +0 :               0.00012748723249
                   +1 :              -0.00013906628828
                3d
                   -2 :               0.00000933944426
                   -1 :               0.00001158694344
                   +0 :               0.00004349894606
                   +1 :               0.00002436261287
                   +2 :               0.00000864568520
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000561773676
                2s
                   +0 :               0.00001268409098
                3s
                   +0 :               0.00000986678900
                2p
                   -1 :              -0.00005500090150
                   +0 :               0.00022483568400
                   +1 :              -0.00045289424206
                3p
                   -1 :              -0.00004404087827
                   +0 :              -0.00023199237468
                   +1 :               0.00036084603660
                3d
                   -2 :              -0.00002837654221
                   -1 :               0.00000628977845
                   +0 :              -0.00002584124885
                   +1 :               0.00000468655179
                   +2 :              -0.00002647710858
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001656298597
                2s
                   +0 :              -0.00029440470507
                3s
                   +0 :               0.00001035641091
                2p
                   -1 :               0.00024756344870
                   +0 :              -0.00004193666743
                   +1 :               0.00041603164411
                3p
                   -1 :              -0.00022455043639
                   +0 :               0.00018952408670
                   +1 :              -0.00017409662248
                3d
                   -2 :               0.00001495524148
                   -1 :              -0.00001317469300
                   +0 :              -0.00001479840818
                   +1 :              -0.00001431434488
                   +2 :              -0.00002308981542
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00001989132429
                2s
                   +0 :              -0.00005835529821
                3s
                   +0 :               0.00008435438332
                2p
                   -1 :               0.00006051515867
                   +0 :               0.00009045648367
                   +1 :               0.00008316673887
                3p
                   -1 :              -0.00001268096699
                   +0 :              -0.00009709039287
                   +1 :              -0.00003861496265
                3d
                   -2 :              -0.00000362566625
                   -1 :              -0.00000214295307
                   +0 :              -0.00000953488803
                   +1 :               0.00000400921501
                   +2 :               0.00000526678067
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000045558573
                2s
                   +0 :               0.00005422816220
                3s
                   +0 :               0.00001194422667
                2p
                   -1 :              -0.00022063683031
                   +0 :              -0.00004545457838
                   +1 :              -0.00017433096157
                3p
                   -1 :               0.00016204886745
                   +0 :               0.00007592371302
                   +1 :               0.00017120503837
                3d
                   -2 :               0.00000649389395
                   -1 :              -0.00000387637330
                   +0 :               0.00000234471190
                   +1 :              -0.00000009679644
                   +2 :               0.00000461502186
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00003786704021
                2s
                   +0 :               0.00027913563564
                3s
                   +0 :              -0.00003563774936
                2p
                   -1 :               0.00032677288915
                   +0 :               0.00005793430408
                   +1 :               0.00015508782314
                3p
                   -1 :              -0.00021456877224
                   +0 :               0.00002285506634
                   +1 :              -0.00012207660103
                3d
                   -2 :               0.00000084380998
                   -1 :               0.00000098449851
                   +0 :               0.00001310785501
                   +1 :              -0.00000414331189
                   +2 :               0.00000784506199
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00003855009153
                2s
                   +0 :               0.00025686034073
                3s
                   +0 :              -0.00011835390265
                2p
                   -1 :              -0.00006787384419
                   +0 :               0.00011257475592
                   +1 :              -0.00018820741661
                3p
                   -1 :               0.00001082619485
                   +0 :              -0.00005168262346
                   +1 :               0.00010798676748
                3d
                   -2 :               0.00001099456939
                   -1 :              -0.00000397405893
                   +0 :              -0.00000241179502
                   +1 :              -0.00000439845763
                   +2 :               0.00000795272453
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001390025606
                2s
                   +0 :              -0.00018291613272
                3s
                   +0 :               0.00000946722255
                2p
                   -1 :              -0.00002751745755
                   +0 :              -0.00018876635952
                   +1 :              -0.00017858784002
                3p
                   -1 :               0.00012417031843
                   +0 :               0.00009616946043
                   +1 :               0.00015440362168
                3d
                   -2 :              -0.00001689721439
                   -1 :              -0.00000266255900
                   +0 :               0.00000964616740
                   +1 :              -0.00001112325943
                   +2 :              -0.00000845946684
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000639490053
                2s
                   +0 :              -0.00018210725810
                3s
                   +0 :              -0.00002399321112
                2p
                   -1 :              -0.00000498271393
                   +0 :              -0.00000774447548
                   +1 :               0.00009575676044
                3p
                   -1 :               0.00004143225937
                   +0 :              -0.00007818823077
                   +1 :              -0.00002740114541
                3d
                   -2 :               0.00000164614528
                   -1 :               0.00001469779392
                   +0 :              -0.00000407711376
                   +1 :               0.00000468753262
                   +2 :               0.00001373953542
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00001764104318
                2s
                   +0 :               0.00009678512902
                3s
                   +0 :              -0.00008130283577
                2p
                   -1 :               0.00000076756793
                   +0 :              -0.00009561427116
                   +1 :              -0.00002122423183
                3p
                   -1 :               0.00000162842490
                   +0 :               0.00007690676515
                   +1 :               0.00005582715410
                3d
                   -2 :               0.00000122855358
                   -1 :               0.00000129463165
                   +0 :               0.00000179575172
                   +1 :              -0.00000692379080
                   +2 :              -0.00000591775402
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001347324356
                2s
                   +0 :               0.00014365172061
                3s
                   +0 :              -0.00002440419288
                2p
                   -1 :              -0.00000817143673
                   +0 :              -0.00005371305535
                   +1 :               0.00010610250430
                3p
                   -1 :              -0.00000707480441
                   +0 :               0.00002743376989
                   +1 :              -0.00003542795758
                3d
                   -2 :               0.00000180134527
                   -1 :               0.00000091329172
                   +0 :              -0.00000398890488
                   +1 :              -0.00000175964121
                   +2 :              -0.00000275830906
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00002907384853
                2s
                   +0 :               0.00023020735763
                3s
                   +0 :              -0.00006818310456
                2p
                   -1 :              -0.00006434367610
                   +0 :              -0.00006585139721
                   +1 :               0.00003692531112
                3p
                   -1 :               0.00005798842406
                   +0 :               0.00006653036749
                   +1 :              -0.00003858039266
                3d
                   -2 :              -0.00000876317590
                   -1 :              -0.00000986658907
                   +0 :               0.00000173469053
                   +1 :               0.00000384258067
                   +2 :              -0.00000048099277
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 21)  npairs=  14
              1 vec=    -0.209546     -0.362644      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00019463549008
                2s
                   +0 :               0.00111806120079
                3s
                   +0 :              -0.00058194731704
                2p
                   -1 :              -0.00035607071752
                   +0 :              -0.00061558831401
                   +1 :              -0.00103055882409
                3p
                   -1 :              -0.00113781057531
                   +0 :               0.00074988849378
                   +1 :               0.00067873420901
                3d
                   -2 :              -0.00000660782239
                   -1 :              -0.00009591114618
                   +0 :               0.00028948072681
                   +1 :               0.00006412948524
                   +2 :               0.00004531994023
              2 vec=     7.570617      4.129235      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00003669538727
                2s
                   +0 :              -0.00019689857283
                3s
                   +0 :               0.00017769696861
                2p
                   -1 :              -0.00017898434410
                   +0 :              -0.00032290955894
                   +1 :               0.00059720229427
                3p
                   -1 :              -0.00010024885445
                   +0 :               0.00039106654779
                   +1 :              -0.00053193510751
                3d
                   -2 :              -0.00006105777635
                   -1 :               0.00001124137275
                   +0 :               0.00003110503920
                   +1 :              -0.00003228759694
                   +2 :               0.00001025168666
              3 vec=    -0.209546      8.621114      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00000438637063
                2s
                   +0 :               0.00067034106514
                3s
                   +0 :               0.00023064686801
                2p
                   -1 :              -0.00027880542665
                   +0 :               0.00036397148667
                   +1 :              -0.00052905767897
                3p
                   -1 :               0.00040522070498
                   +0 :               0.00032513117716
                   +1 :               0.00035080769756
                3d
                   -2 :               0.00001551678788
                   -1 :               0.00001965959925
                   +0 :               0.00000254509809
                   +1 :              -0.00002787361599
                   +2 :               0.00002288768875
              4 vec=     7.570617     -4.854523      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00001852325300
                2s
                   +0 :              -0.00036942190572
                3s
                   +0 :               0.00019971986815
                2p
                   -1 :               0.00058641466893
                   +0 :              -0.00034025299506
                   +1 :              -0.00008495524598
                3p
                   -1 :              -0.00063983112230
                   +0 :               0.00008514610624
                   +1 :              -0.00038071659473
                3d
                   -2 :              -0.00008557423042
                   -1 :              -0.00003985705603
                   +0 :              -0.00002311307568
                   +1 :              -0.00000382824323
                   +2 :              -0.00005528861221
              5 vec=    -7.989708      4.129235      8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00010899587116
                2s
                   +0 :              -0.00065135189289
                3s
                   +0 :               0.00025582505184
                2p
                   -1 :              -0.00150001783820
                   +0 :              -0.00002388057050
                   +1 :              -0.00044374250612
                3p
                   -1 :               0.00092716872510
                   +0 :               0.00002836948461
                   +1 :               0.00033096278937
                3d
                   -2 :               0.00002411583700
                   -1 :               0.00006307732166
                   +0 :               0.00002417757183
                   +1 :               0.00003093591804
                   +2 :              -0.00003129483199
              6 vec=    -0.209546     -9.346402      8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00000349035495
                2s
                   +0 :              -0.00034540190227
                3s
                   +0 :              -0.00001262258017
                2p
                   -1 :               0.00132334724571
                   +0 :              -0.00106592386130
                   +1 :              -0.00049285317662
                3p
                   -1 :              -0.00091328605887
                   +0 :               0.00083430643109
                   +1 :               0.00037901936090
                3d
                   -2 :              -0.00002730971252
                   -1 :              -0.00006051317425
                   +0 :               0.00001508123018
                   +1 :               0.00003060447575
                   +2 :              -0.00002114690513
              7 vec=    -7.989708     -4.854523      8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00009667025027
                2s
                   +0 :              -0.00095761495867
                3s
                   +0 :               0.00015320209894
                2p
                   -1 :               0.00013883421349
                   +0 :              -0.00008383186282
                   +1 :               0.00100699433880
                3p
                   -1 :              -0.00011472178854
                   +0 :              -0.00033444227880
                   +1 :              -0.00048069007301
                3d
                   -2 :               0.00000795619587
                   -1 :              -0.00002686202258
                   +0 :              -0.00002620479642
                   +1 :               0.00006932972332
                   +2 :               0.00002019566237
              8 vec=    -0.209546     -0.362644    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00003881665665
                2s
                   +0 :               0.00032337327324
                3s
                   +0 :              -0.00011759267292
                2p
                   -1 :               0.00011587527386
                   +0 :              -0.00012865975151
                   +1 :               0.00000196715032
                3p
                   -1 :              -0.00010981794304
                   +0 :               0.00009343234767
                   +1 :               0.00000379849567
                3d
                   -2 :              -0.00000370100037
                   -1 :               0.00001047635369
                   +0 :              -0.00000355938312
                   +1 :               0.00000389341944
                   +2 :               0.00000100487108
              9 vec=     7.570617     13.112993      8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00002335779828
                2s
                   +0 :               0.00023196211832
                3s
                   +0 :              -0.00003462266746
                2p
                   -1 :               0.00008700175125
                   +0 :               0.00007296219815
                   +1 :               0.00014630227462
                3p
                   -1 :               0.00000580783563
                   +0 :              -0.00004502074117
                   +1 :              -0.00004099774317
                3d
                   -2 :               0.00000801907662
                   -1 :              -0.00000011964199
                   +0 :              -0.00000350464399
                   +1 :              -0.00000088218226
                   +2 :              -0.00000363152271
             10 vec=    15.350780     -0.362644      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00000400459080
                2s
                   +0 :               0.00004551935699
                3s
                   +0 :              -0.00000464595607
                2p
                   -1 :               0.00007863827549
                   +0 :              -0.00004823348661
                   +1 :              -0.00003310483125
                3p
                   -1 :              -0.00008922593010
                   +0 :               0.00000483346720
                   +1 :               0.00004571439577
                3d
                   -2 :              -0.00000173634788
                   -1 :              -0.00000177909491
                   +0 :              -0.00000250266446
                   +1 :              -0.00000344837811
                   +2 :              -0.00000042270301
             11 vec=    -7.989708     13.112993      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00003836354570
                2s
                   +0 :               0.00030515213451
                3s
                   +0 :              -0.00010107923078
                2p
                   -1 :               0.00027910045570
                   +0 :               0.00007124525673
                   +1 :              -0.00010033325995
                3p
                   -1 :              -0.00017884316916
                   +0 :              -0.00001541618852
                   +1 :               0.00001026110957
                3d
                   -2 :              -0.00000337893412
                   -1 :              -0.00000073470057
                   +0 :              -0.00000251712916
                   +1 :              -0.00000813719847
                   +2 :               0.00000619129492
             12 vec=     7.570617    -13.838281      8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00000539292357
                2s
                   +0 :              -0.00003684886771
                3s
                   +0 :              -0.00000652680991
                2p
                   -1 :               0.00003731539564
                   +0 :              -0.00005966720030
                   +1 :              -0.00002443082814
                3p
                   -1 :              -0.00000076061919
                   +0 :               0.00001972227319
                   +1 :               0.00002599527100
                3d
                   -2 :               0.00000036615135
                   -1 :               0.00000402567928
                   +0 :               0.00000257424627
                   +1 :               0.00000158000273
                   +2 :               0.00000427099354
             13 vec=   -15.769871     -0.362644      8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000903301675
                2s
                   +0 :              -0.00012445636050
                3s
                   +0 :               0.00000699709368
                2p
                   -1 :               0.00000262415006
                   +0 :              -0.00009470406157
                   +1 :               0.00001940582729
                3p
                   -1 :              -0.00003128224353
                   +0 :               0.00005156367797
                   +1 :               0.00004006492146
                3d
                   -2 :              -0.00000133814395
                   -1 :              -0.00000289511670
                   +0 :              -0.00000033727980
                   +1 :               0.00000102730073
                   +2 :              -0.00000419739218
             14 vec=    -7.989708    -13.838281      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00002369640319
                2s
                   +0 :              -0.00022691119403
                3s
                   +0 :               0.00005019295348
                2p
                   -1 :               0.00011960407324
                   +0 :              -0.00002259476047
                   +1 :               0.00002512810216
                3p
                   -1 :              -0.00002756690161
                   +0 :              -0.00000675017628
                   +1 :              -0.00000623515053
                3d
                   -2 :               0.00000154053620
                   -1 :              -0.00000160336974
                   +0 :              -0.00000388023112
                   +1 :              -0.00000274553677
                   +2 :               0.00000263343062
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 22)  npairs=  14
              1 vec=    -2.593128     -1.739405     -4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00101542259667
                2s
                   +0 :              -0.01338613285524
                3s
                   +0 :              -0.00436346390066
                2p
                   -1 :              -0.00404943276567
                   +0 :               0.01186537427536
                   +1 :               0.00637034254662
                3p
                   -1 :              -0.00039159293940
                   +0 :               0.00361194490107
                   +1 :               0.00267414639516
                3d
                   -2 :              -0.00005826726625
                   -1 :               0.00031819308534
                   +0 :              -0.00139453788031
                   +1 :              -0.00164373675746
                   +2 :              -0.00060152357491
              2 vec=     5.187034      2.752474     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00008192051148
                2s
                   +0 :               0.00322200765511
                3s
                   +0 :              -0.00244372346737
                2p
                   -1 :               0.00328137466336
                   +0 :              -0.00156225955568
                   +1 :              -0.00149681959828
                3p
                   -1 :              -0.00595444571328
                   +0 :              -0.00206574075061
                   +1 :               0.00363241555364
                3d
                   -2 :              -0.00174810002367
                   -1 :               0.00043150652540
                   +0 :               0.00079475320976
                   +1 :              -0.00003308081726
                   +2 :               0.00022697343568
              3 vec=    -2.593128      7.244353     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00008377932888
                2s
                   +0 :               0.00053830500929
                3s
                   +0 :               0.00044039814646
                2p
                   -1 :               0.00181820895641
                   +0 :               0.00133033546235
                   +1 :              -0.00000602260174
                3p
                   -1 :              -0.00080640621335
                   +0 :              -0.00051731195871
                   +1 :              -0.00018549419028
                3d
                   -2 :               0.00000011476609
                   -1 :               0.00012362415422
                   +0 :              -0.00011108230879
                   +1 :               0.00007847178328
                   +2 :              -0.00003682620409
              4 vec=     5.187034     -6.231284     -4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00000113026324
                2s
                   +0 :               0.00054693803771
                3s
                   +0 :               0.00007316878110
                2p
                   -1 :              -0.00186688660698
                   +0 :               0.00242011544774
                   +1 :              -0.00006288788966
                3p
                   -1 :               0.00095018463239
                   +0 :              -0.00104784994550
                   +1 :               0.00005115327618
                3d
                   -2 :              -0.00006945365603
                   -1 :              -0.00003877511405
                   +0 :              -0.00005394188951
                   +1 :              -0.00003628893386
                   +2 :               0.00017098006337
              5 vec=   -10.373291      2.752474     -4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00004475620220
                2s
                   +0 :               0.00063051048411
                3s
                   +0 :              -0.00004320702609
                2p
                   -1 :              -0.00013941395334
                   +0 :               0.00047221693869
                   +1 :              -0.00130260870547
                3p
                   -1 :               0.00005423342098
                   +0 :              -0.00034090499497
                   +1 :               0.00057982941926
                3d
                   -2 :               0.00003388708235
                   -1 :               0.00001574002493
                   +0 :               0.00003829202514
                   +1 :               0.00005650285608
                   +2 :              -0.00000143248533
              6 vec=    -2.593128    -10.723163     -4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00002921866032
                2s
                   +0 :              -0.00005363119918
                3s
                   +0 :              -0.00014845722493
                2p
                   -1 :              -0.00073129108236
                   +0 :               0.00083737746085
                   +1 :              -0.00024290929247
                3p
                   -1 :               0.00076162747481
                   +0 :              -0.00051953830725
                   +1 :               0.00023613179302
                3d
                   -2 :              -0.00008950747552
                   -1 :               0.00004735568058
                   +0 :              -0.00006864039566
                   +1 :              -0.00001227397810
                   +2 :               0.00008839230180
              7 vec=   -10.373291     -6.231284     -4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00008997599841
                2s
                   +0 :              -0.00072529004023
                3s
                   +0 :               0.00019356401756
                2p
                   -1 :              -0.00030953815315
                   +0 :              -0.00087568770678
                   +1 :               0.00083435449727
                3p
                   -1 :               0.00027476930918
                   +0 :               0.00074296910544
                   +1 :              -0.00051864235956
                3d
                   -2 :              -0.00007085330795
                   -1 :              -0.00001702359273
                   +0 :              -0.00000299489430
                   +1 :              -0.00008801213470
                   +2 :               0.00001960713522
              8 vec=     5.187034     11.736232     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00000190578890
                2s
                   +0 :               0.00016936721619
                3s
                   +0 :               0.00008311017103
                2p
                   -1 :              -0.00010880757670
                   +0 :              -0.00059701669400
                   +1 :               0.00066130513781
                3p
                   -1 :               0.00008570692083
                   +0 :               0.00018033820024
                   +1 :              -0.00020932390186
                3d
                   -2 :               0.00004115020819
                   -1 :               0.00000330542405
                   +0 :               0.00004274539574
                   +1 :              -0.00001645215483
                   +2 :              -0.00003197340425
              9 vec=    12.967197     -1.739405     -4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00006046688565
                2s
                   +0 :              -0.00073272774132
                3s
                   +0 :               0.00010316390058
                2p
                   -1 :               0.00067521908132
                   +0 :              -0.00007981739423
                   +1 :              -0.00005599871106
                3p
                   -1 :              -0.00021999515007
                   +0 :               0.00003780091765
                   +1 :              -0.00005471646487
                3d
                   -2 :               0.00003781212351
                   -1 :               0.00000449803273
                   +0 :              -0.00000410871360
                   +1 :              -0.00000444145521
                   +2 :              -0.00002567367363
             10 vec=    12.967197      7.244353     -4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00002307809178
                2s
                   +0 :              -0.00025121289664
                3s
                   +0 :              -0.00000967891660
                2p
                   -1 :               0.00002887868990
                   +0 :              -0.00000272083242
                   +1 :              -0.00030727194124
                3p
                   -1 :              -0.00006163673372
                   +0 :              -0.00013335615002
                   +1 :               0.00011160238491
                3d
                   -2 :               0.00001817856412
                   -1 :              -0.00003350115864
                   +0 :               0.00003383368158
                   +1 :              -0.00001867576236
                   +2 :              -0.00000296785640
             11 vec=   -10.373291     11.736232     -4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00003137041704
                2s
                   +0 :              -0.00022894412554
                3s
                   +0 :               0.00006803491843
                2p
                   -1 :              -0.00018344132105
                   +0 :               0.00010381195752
                   +1 :               0.00009209883036
                3p
                   -1 :               0.00002731487485
                   +0 :              -0.00011968740100
                   +1 :              -0.00011642141766
                3d
                   -2 :               0.00001488843696
                   -1 :              -0.00000327993690
                   +0 :               0.00000371446004
                   +1 :               0.00001160061639
                   +2 :               0.00001747988167
             12 vec=     5.187034    -15.215042     -4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00004406911366
                2s
                   +0 :               0.00046103809579
                3s
                   +0 :              -0.00011407680252
                2p
                   -1 :              -0.00032760757834
                   +0 :              -0.00007977840798
                   +1 :               0.00024051885622
                3p
                   -1 :               0.00018890089965
                   +0 :               0.00017161439315
                   +1 :              -0.00016749648173
                3d
                   -2 :              -0.00001274835681
                   -1 :              -0.00001151801344
                   +0 :               0.00000841951647
                   +1 :               0.00000863293516
                   +2 :              -0.00000063437587
             13 vec=    -2.593128     16.228111     -4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00004696202705
                2s
                   +0 :               0.00040662287923
                3s
                   +0 :              -0.00009683541804
                2p
                   -1 :               0.00022691532111
                   +0 :              -0.00011433968865
                   +1 :              -0.00016151024917
                3p
                   -1 :              -0.00008846027530
                   +0 :               0.00006763453950
                   +1 :               0.00011876551379
                3d
                   -2 :               0.00000567503541
                   -1 :               0.00000713487446
                   +0 :               0.00000633009818
                   +1 :              -0.00000111120357
                   +2 :              -0.00001394597893
             14 vec=    12.967197    -10.723163     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00001276345291
                2s
                   +0 :              -0.00009153561759
                3s
                   +0 :               0.00003220311148
                2p
                   -1 :              -0.00003404486067
                   +0 :              -0.00000005938102
                   +1 :               0.00003755102979
                3p
                   -1 :               0.00007503054437
                   +0 :               0.00001567606840
                   +1 :              -0.00004631228321
                3d
                   -2 :               0.00001025230208
                   -1 :              -0.00000309667725
                   +0 :              -0.00000088534446
                   +1 :               0.00000010765807
                   +2 :               0.00000668576935
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 23)  npairs=  14
              1 vec=     2.174037     -1.739405     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00030073306095
                2s
                   +0 :              -0.02878269513105
                3s
                   +0 :               0.00068636324521
                2p
                   -1 :               0.00141124427664
                   +0 :               0.01946719533884
                   +1 :              -0.00603841028469
                3p
                   -1 :              -0.00268259810679
                   +0 :               0.00048090904756
                   +1 :              -0.00198474896570
                3d
                   -2 :              -0.00027241920632
                   -1 :               0.00203893156206
                   +0 :              -0.00135599101576
                   +1 :               0.00135963182804
                   +2 :              -0.00158869651455
              2 vec=    -5.606126      2.752474     -4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00065752064162
                2s
                   +0 :               0.00575364809135
                3s
                   +0 :              -0.00171123027129
                2p
                   -1 :               0.00192687286837
                   +0 :               0.00137378393496
                   +1 :              -0.00393502797139
                3p
                   -1 :              -0.00154826006179
                   +0 :              -0.00221148485727
                   +1 :               0.00092119296692
                3d
                   -2 :               0.00015410564067
                   -1 :               0.00008548960201
                   +0 :               0.00021770067776
                   +1 :              -0.00012400880437
                   +2 :              -0.00011203738269
              3 vec=     2.174037      7.244353     -4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00012466829054
                2s
                   +0 :               0.00033379220933
                3s
                   +0 :               0.00061486495918
                2p
                   -1 :               0.00251625427687
                   +0 :               0.00124303655878
                   +1 :              -0.00034297078446
                3p
                   -1 :               0.00034674970497
                   +0 :              -0.00231852739916
                   +1 :               0.00065062733520
                3d
                   -2 :              -0.00004061837149
                   -1 :              -0.00022780098442
                   +0 :               0.00008408384399
                   +1 :               0.00008066440193
                   +2 :              -0.00011815318700
              4 vec=    -5.606126     -6.231284     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00072538654130
                2s
                   +0 :              -0.00465563675974
                3s
                   +0 :               0.00172136667633
                2p
                   -1 :               0.00045731855592
                   +0 :               0.00031655920824
                   +1 :              -0.00036653389523
                3p
                   -1 :              -0.00004623531542
                   +0 :               0.00127552851729
                   +1 :               0.00118550589517
                3d
                   -2 :              -0.00003373824673
                   -1 :               0.00010869155838
                   +0 :              -0.00021091931661
                   +1 :              -0.00007908150074
                   +2 :              -0.00004651292131
              5 vec=     9.954199      2.752474     -4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00006833465120
                2s
                   +0 :              -0.00132829197057
                3s
                   +0 :              -0.00053204833659
                2p
                   -1 :              -0.00006848503917
                   +0 :              -0.00020736097747
                   +1 :               0.00216199462406
                3p
                   -1 :               0.00044886380834
                   +0 :              -0.00000855467108
                   +1 :              -0.00229064531004
                3d
                   -2 :               0.00007759986756
                   -1 :               0.00004131259542
                   +0 :               0.00023379329231
                   +1 :              -0.00014601512296
                   +2 :              -0.00021301407196
              6 vec=     2.174037    -10.723163     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00008393525357
                2s
                   +0 :               0.00075228212816
                3s
                   +0 :              -0.00013082060434
                2p
                   -1 :              -0.00127892982439
                   +0 :              -0.00070907855902
                   +1 :              -0.00206897123799
                3p
                   -1 :               0.00073165408266
                   +0 :               0.00117743363433
                   +1 :               0.00237506935528
                3d
                   -2 :              -0.00020124448672
                   -1 :              -0.00016934218767
                   +0 :              -0.00000557346133
                   +1 :               0.00002580335664
                   +2 :               0.00003396197978
              7 vec=     9.954199     -6.231284     -4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00005519883142
                2s
                   +0 :               0.00037841372222
                3s
                   +0 :              -0.00012603779218
                2p
                   -1 :               0.00058021926634
                   +0 :              -0.00032029218891
                   +1 :              -0.00005131426359
                3p
                   -1 :              -0.00030293499145
                   +0 :              -0.00006720367109
                   +1 :               0.00023392204509
                3d
                   -2 :              -0.00001613433803
                   -1 :               0.00001545066347
                   +0 :              -0.00000070258755
                   +1 :              -0.00005164822812
                   +2 :               0.00002679577980
              8 vec=    -5.606126     11.736232     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00007972328340
                2s
                   +0 :               0.00110695879120
                3s
                   +0 :              -0.00004510649517
                2p
                   -1 :               0.00062572626463
                   +0 :              -0.00025671455990
                   +1 :              -0.00069066547389
                3p
                   -1 :              -0.00003308628933
                   +0 :              -0.00017729646927
                   +1 :               0.00027716579264
                3d
                   -2 :              -0.00003725331235
                   -1 :              -0.00002993267411
                   +0 :               0.00000398342211
                   +1 :               0.00001694990596
                   +2 :              -0.00000617311967
              9 vec=   -13.386289     -1.739405     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00003736448154
                2s
                   +0 :               0.00028536696249
                3s
                   +0 :              -0.00009738267383
                2p
                   -1 :              -0.00009402725415
                   +0 :               0.00020792738843
                   +1 :              -0.00020909148414
                3p
                   -1 :               0.00004698129019
                   +0 :              -0.00012911307361
                   +1 :               0.00008407245754
                3d
                   -2 :               0.00000251718289
                   -1 :              -0.00001665378695
                   +0 :               0.00000261666210
                   +1 :              -0.00000480428592
                   +2 :              -0.00000601125886
             10 vec=   -13.386289      7.244353     -4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00001443458440
                2s
                   +0 :              -0.00004965262389
                3s
                   +0 :               0.00005782442508
                2p
                   -1 :               0.00008265678061
                   +0 :               0.00006854786585
                   +1 :              -0.00007151565058
                3p
                   -1 :              -0.00000101792254
                   +0 :              -0.00006258387424
                   +1 :               0.00003785443831
                3d
                   -2 :              -0.00001274437700
                   -1 :               0.00000679391719
                   +0 :               0.00000316227905
                   +1 :              -0.00000141854933
                   +2 :              -0.00000999719132
             11 vec=     9.954199     11.736232     -4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00006089278119
                2s
                   +0 :              -0.00076548456867
                3s
                   +0 :               0.00006007595869
                2p
                   -1 :              -0.00060057752531
                   +0 :              -0.00004316957940
                   +1 :              -0.00027038779091
                3p
                   -1 :               0.00005882956747
                   +0 :               0.00001972127844
                   +1 :               0.00004214386641
                3d
                   -2 :              -0.00003031789092
                   -1 :               0.00002015598148
                   +0 :               0.00000139379825
                   +1 :               0.00000725621383
                   +2 :               0.00001053513066
             12 vec=    -5.606126    -15.215042     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00001462210754
                2s
                   +0 :               0.00015221910651
                3s
                   +0 :               0.00001876031315
                2p
                   -1 :              -0.00004823065890
                   +0 :               0.00004913317708
                   +1 :              -0.00008054529653
                3p
                   -1 :              -0.00010171224746
                   +0 :               0.00008824062587
                   +1 :              -0.00004544553019
                3d
                   -2 :               0.00001783853184
                   -1 :               0.00000081543589
                   +0 :              -0.00002547101975
                   +1 :               0.00001391423574
                   +2 :              -0.00002461442726
             13 vec=     2.174037     16.228111     -4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00003903337077
                2s
                   +0 :               0.00027287641822
                3s
                   +0 :              -0.00010893022889
                2p
                   -1 :               0.00020912823214
                   +0 :              -0.00002858320481
                   +1 :               0.00031265543040
                3p
                   -1 :              -0.00009522376431
                   +0 :              -0.00000437625255
                   +1 :              -0.00015038687556
                3d
                   -2 :              -0.00000216741821
                   -1 :              -0.00000346532235
                   +0 :              -0.00000075241105
                   +1 :              -0.00000195613309
                   +2 :              -0.00000411351276
             14 vec=   -13.386289    -10.723163     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00001229836559
                2s
                   +0 :              -0.00010205163630
                3s
                   +0 :               0.00001614705478
                2p
                   -1 :               0.00000360739658
                   +0 :              -0.00000063687315
                   +1 :              -0.00003943379972
                3p
                   -1 :               0.00001077397399
                   +0 :               0.00001883296231
                   +1 :               0.00008542257115
                3d
                   -2 :               0.00000363035868
                   -1 :               0.00000287257575
                   +0 :               0.00000620685079
                   +1 :              -0.00000376727268
                   +2 :              -0.00001519974264
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 24)  npairs=  14
              1 vec=    -0.209546      3.115867     -4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00241531595472
                2s
                   +0 :               0.04060844103382
                3s
                   +0 :              -0.00350251603592
                2p
                   -1 :               0.00978692323108
                   +0 :              -0.01863389560277
                   +1 :               0.00218577117737
                3p
                   -1 :              -0.00033654962711
                   +0 :               0.00044487728978
                   +1 :              -0.00144176413892
                3d
                   -2 :               0.00002956279837
                   -1 :              -0.00160722150883
                   +0 :               0.00052585708014
                   +1 :              -0.00056470800716
                   +2 :               0.00027538149280
              2 vec=    -0.209546     -5.867891     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00176441438156
                2s
                   +0 :              -0.01412904198069
                3s
                   +0 :               0.00702367490356
                2p
                   -1 :               0.01350726126911
                   +0 :               0.01506564807320
                   +1 :               0.00170860857731
                3p
                   -1 :              -0.00953482889434
                   +0 :              -0.00956639265818
                   +1 :              -0.00239707013842
                3d
                   -2 :              -0.00009194334445
                   -1 :               0.00134642729795
                   +0 :               0.00041509890111
                   +1 :              -0.00023658331811
                   +2 :              -0.00071041873890
              3 vec=     7.570617     -1.376012     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00020376418113
                2s
                   +0 :               0.00148416811217
                3s
                   +0 :              -0.00099142212252
                2p
                   -1 :              -0.00351385303465
                   +0 :              -0.00013520551129
                   +1 :              -0.00223942509950
                3p
                   -1 :               0.00272137772451
                   +0 :              -0.00015972979714
                   +1 :               0.00104302272186
                3d
                   -2 :               0.00008776079773
                   -1 :               0.00002532002936
                   +0 :               0.00012192210196
                   +1 :               0.00002433886164
                   +2 :               0.00014172447920
              4 vec=    -7.989708     -1.376012     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00001444729082
                2s
                   +0 :               0.00051721148636
                3s
                   +0 :              -0.00021557051733
                2p
                   -1 :              -0.00157718765230
                   +0 :               0.00092587547044
                   +1 :               0.00089893589544
                3p
                   -1 :               0.00102214045819
                   +0 :              -0.00037648467589
                   +1 :              -0.00070506042831
                3d
                   -2 :              -0.00013173875243
                   -1 :               0.00003690592263
                   +0 :              -0.00025413343262
                   +1 :               0.00018715762518
                   +2 :               0.00003962206066
              5 vec=     7.570617      7.607746     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00048283461621
                2s
                   +0 :              -0.00446911111659
                3s
                   +0 :               0.00106641449978
                2p
                   -1 :              -0.00247251829249
                   +0 :              -0.00057156030627
                   +1 :              -0.00072896619746
                3p
                   -1 :               0.00087471313913
                   +0 :              -0.00007012562789
                   +1 :               0.00045529499314
                3d
                   -2 :              -0.00008715172800
                   -1 :              -0.00005893034620
                   +0 :               0.00006890914164
                   +1 :               0.00003854767144
                   +2 :               0.00009979634919
              6 vec=    -7.989708      7.607746     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00004343639947
                2s
                   +0 :              -0.00043594696163
                3s
                   +0 :               0.00019973886331
                2p
                   -1 :              -0.00053454900464
                   +0 :              -0.00007303645295
                   +1 :               0.00064585353689
                3p
                   -1 :               0.00006281108729
                   +0 :              -0.00041916539611
                   +1 :              -0.00050414292320
                3d
                   -2 :               0.00004269446986
                   -1 :              -0.00004704252751
                   +0 :               0.00004834136221
                   +1 :               0.00013899397213
                   +2 :               0.00003996707128
              7 vec=    -0.209546     12.099625     -4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00008943921432
                2s
                   +0 :               0.00111074681121
                3s
                   +0 :              -0.00011599213369
                2p
                   -1 :              -0.00026398519961
                   +0 :              -0.00011460430146
                   +1 :               0.00012055940130
                3p
                   -1 :               0.00057951421742
                   +0 :              -0.00001160274348
                   +1 :               0.00008685713984
                3d
                   -2 :               0.00002135437181
                   -1 :              -0.00001242634406
                   +0 :               0.00000836657041
                   +1 :              -0.00001234337836
                   +2 :              -0.00005475401426
              8 vec=     7.570617    -10.359770     -4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00001885131176
                2s
                   +0 :              -0.00000287329952
                3s
                   +0 :              -0.00013905222592
                2p
                   -1 :              -0.00020741897272
                   +0 :               0.00017151943828
                   +1 :               0.00025111467124
                3p
                   -1 :               0.00011328819360
                   +0 :               0.00017493159893
                   +1 :              -0.00043233540882
                3d
                   -2 :              -0.00002839906073
                   -1 :               0.00001163721365
                   +0 :              -0.00001074580634
                   +1 :               0.00004900329521
                   +2 :              -0.00005885137907
              9 vec=    -7.989708    -10.359770     -4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00002852570271
                2s
                   +0 :              -0.00056051816260
                3s
                   +0 :               0.00006286914034
                2p
                   -1 :               0.00073571287617
                   +0 :              -0.00000823318597
                   +1 :               0.00080417824420
                3p
                   -1 :              -0.00065988022014
                   +0 :               0.00009035414911
                   +1 :              -0.00056001440711
                3d
                   -2 :               0.00004409129584
                   -1 :              -0.00001954461002
                   +0 :              -0.00003171806462
                   +1 :              -0.00000177227123
                   +2 :              -0.00005507416908
             10 vec=    -0.209546    -14.851649     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00003147109857
                2s
                   +0 :              -0.00015218620666
                3s
                   +0 :               0.00013674503399
                2p
                   -1 :               0.00020683898990
                   +0 :              -0.00001378563362
                   +1 :               0.00004197781607
                3p
                   -1 :              -0.00012286266445
                   +0 :               0.00004695072120
                   +1 :              -0.00016726762197
                3d
                   -2 :               0.00002947525714
                   -1 :              -0.00000409525625
                   +0 :              -0.00003246929117
                   +1 :              -0.00001894899402
                   +2 :               0.00000029231466
             11 vec=    15.350780      3.115867     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00011210725609
                2s
                   +0 :              -0.00099559989601
                3s
                   +0 :               0.00022540811190
                2p
                   -1 :              -0.00039111047311
                   +0 :              -0.00027208984370
                   +1 :              -0.00082444175716
                3p
                   -1 :               0.00028085794484
                   +0 :               0.00015155467009
                   +1 :               0.00036864156484
                3d
                   -2 :               0.00000625032552
                   -1 :              -0.00001419194806
                   +0 :              -0.00001597246350
                   +1 :               0.00001658141629
                   +2 :               0.00000859643451
             12 vec=   -15.769871      3.115867     -4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00003370742395
                2s
                   +0 :               0.00030113919218
                3s
                   +0 :              -0.00007359232143
                2p
                   -1 :               0.00014429804000
                   +0 :              -0.00005268221024
                   +1 :              -0.00014381823053
                3p
                   -1 :              -0.00007933717000
                   +0 :               0.00005234710713
                   +1 :              -0.00001223792539
                3d
                   -2 :               0.00000547676414
                   -1 :               0.00000820642654
                   +0 :              -0.00000772632450
                   +1 :              -0.00000921273710
                   +2 :               0.00001162372135
             13 vec=    15.350780     -5.867891     -4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00000456657804
                2s
                   +0 :              -0.00008370927612
                3s
                   +0 :              -0.00002653094256
                2p
                   -1 :               0.00010246986192
                   +0 :              -0.00002450098300
                   +1 :              -0.00002193121252
                3p
                   -1 :               0.00000872939864
                   +0 :               0.00004404091664
                   +1 :              -0.00004766295389
                3d
                   -2 :               0.00000539232633
                   -1 :               0.00000009561447
                   +0 :               0.00000218177628
                   +1 :               0.00001257263035
                   +2 :              -0.00000400640462
             14 vec=   -15.769871     -5.867891     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000675382691
                2s
                   +0 :               0.00004908499044
                3s
                   +0 :              -0.00002971032741
                2p
                   -1 :              -0.00004691450986
                   +0 :               0.00003236702342
                   +1 :              -0.00000733885909
                3p
                   -1 :               0.00002375825072
                   +0 :               0.00001031329011
                   +1 :               0.00001118519708
                3d
                   -2 :               0.00000145645366
                   -1 :               0.00000066787137
                   +0 :              -0.00000015463008
                   +1 :               0.00000421643499
                   +2 :              -0.00000790415510
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 25)  npairs=  14
              1 vec=    -0.419351      0.000150     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00058643646003
                2s
                   +0 :              -0.00309616187134
                3s
                   +0 :               0.00153489522815
                2p
                   -1 :              -0.00164087987242
                   +0 :               0.00128112766427
                   +1 :              -0.00116878579440
                3p
                   -1 :               0.00056961771696
                   +0 :              -0.00036959459666
                   +1 :               0.00122491037531
                3d
                   -2 :              -0.00016895695222
                   -1 :              -0.00000745106521
                   +0 :              -0.00016414768468
                   +1 :              -0.00006145314189
                   +2 :              -0.00003185441111
              2 vec=     7.360812     -4.491729     -8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00012753388975
                2s
                   +0 :              -0.00104568648282
                3s
                   +0 :               0.00040489319133
                2p
                   -1 :               0.00067598471474
                   +0 :               0.00006827098650
                   +1 :              -0.00003394137315
                3p
                   -1 :              -0.00058729144530
                   +0 :               0.00019022513733
                   +1 :               0.00006862252704
                3d
                   -2 :              -0.00007007932174
                   -1 :               0.00002286897658
                   +0 :              -0.00002309982927
                   +1 :               0.00002910454299
                   +2 :              -0.00003089698521
              3 vec=     7.360812      4.492029     -8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00026297965606
                2s
                   +0 :              -0.00287085144407
                3s
                   +0 :               0.00020790620214
                2p
                   -1 :               0.00149216579530
                   +0 :               0.00081787774353
                   +1 :               0.00043752879534
                3p
                   -1 :              -0.00097072239003
                   +0 :               0.00035677243080
                   +1 :              -0.00029803654282
                3d
                   -2 :              -0.00007683751797
                   -1 :               0.00010341479699
                   +0 :              -0.00019142101231
                   +1 :               0.00003679350475
                   +2 :               0.00000839416051
              4 vec=    -0.419351     -8.983608     -8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00027634522162
                2s
                   +0 :               0.00140539572749
                3s
                   +0 :              -0.00093302067640
                2p
                   -1 :              -0.00135678756659
                   +0 :              -0.00011643838266
                   +1 :               0.00189403082141
                3p
                   -1 :               0.00124256907467
                   +0 :               0.00022730480846
                   +1 :              -0.00176474704333
                3d
                   -2 :               0.00007652503429
                   -1 :              -0.00015280994960
                   +0 :              -0.00006191326261
                   +1 :               0.00012258399610
                   +2 :               0.00003272323634
              5 vec=    -0.419351      8.983908     -8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00016662017439
                2s
                   +0 :               0.00170379407937
                3s
                   +0 :              -0.00026530242891
                2p
                   -1 :               0.00110251756324
                   +0 :              -0.00038755225013
                   +1 :              -0.00030327582589
                3p
                   -1 :              -0.00051053889021
                   +0 :              -0.00020501893663
                   +1 :               0.00018208570667
                3d
                   -2 :               0.00001237608843
                   -1 :               0.00002134649505
                   +0 :               0.00006111709245
                   +1 :              -0.00000120843393
                   +2 :               0.00000845450947
              6 vec=    -8.199513     -4.491729     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00007527582493
                2s
                   +0 :              -0.00062855632929
                3s
                   +0 :               0.00018226756075
                2p
                   -1 :              -0.00098845924013
                   +0 :               0.00111986359617
                   +1 :               0.00042872013240
                3p
                   -1 :               0.00079886001903
                   +0 :              -0.00071429644997
                   +1 :              -0.00021671800097
                3d
                   -2 :              -0.00003484521567
                   -1 :              -0.00003957959361
                   +0 :              -0.00000815023810
                   +1 :               0.00001342516554
                   +2 :               0.00002954076476
              7 vec=    -8.199513      4.492029     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00003620938368
                2s
                   +0 :               0.00056899696382
                3s
                   +0 :              -0.00005883531129
                2p
                   -1 :               0.00031004652904
                   +0 :              -0.00064318838708
                   +1 :              -0.00088896833689
                3p
                   -1 :              -0.00034131142901
                   +0 :               0.00046067506481
                   +1 :               0.00060406716107
                3d
                   -2 :               0.00003229461896
                   -1 :               0.00000697535414
                   +0 :              -0.00000683605424
                   +1 :              -0.00002713245318
                   +2 :              -0.00000805314544
              8 vec=    -0.419351      0.000150     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001157929678
                2s
                   +0 :              -0.00005323395511
                3s
                   +0 :               0.00003761894566
                2p
                   -1 :              -0.00000770976968
                   +0 :               0.00002173770695
                   +1 :              -0.00010240283885
                3p
                   -1 :              -0.00002231437892
                   +0 :              -0.00000403990925
                   +1 :               0.00007070333516
                3d
                   -2 :              -0.00000218158964
                   -1 :              -0.00000287901470
                   +0 :               0.00000003258774
                   +1 :               0.00000550548891
                   +2 :               0.00000606551339
              9 vec=    15.140975      0.000150     -8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00004031658913
                2s
                   +0 :              -0.00042429502535
                3s
                   +0 :               0.00009043820208
                2p
                   -1 :               0.00011755157301
                   +0 :              -0.00001410029402
                   +1 :              -0.00011900353625
                3p
                   -1 :              -0.00003997030840
                   +0 :               0.00005873760772
                   +1 :               0.00000215309591
                3d
                   -2 :              -0.00000139271464
                   -1 :              -0.00000484866804
                   +0 :               0.00000633704397
                   +1 :               0.00000933209075
                   +2 :              -0.00000547417674
             10 vec=     7.360812    -13.475487     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00000487311577
                2s
                   +0 :               0.00005918020675
                3s
                   +0 :               0.00004854842685
                2p
                   -1 :               0.00010247709424
                   +0 :               0.00005549171087
                   +1 :              -0.00018708636776
                3p
                   -1 :              -0.00010044314552
                   +0 :              -0.00004909756606
                   +1 :               0.00019120771123
                3d
                   -2 :              -0.00000979075406
                   -1 :               0.00000117370903
                   +0 :               0.00000374442287
                   +1 :              -0.00000494470562
                   +2 :               0.00000553567800
             11 vec=     7.360812     13.475787     -8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00002451742458
                2s
                   +0 :              -0.00018947148488
                3s
                   +0 :               0.00006356260466
                2p
                   -1 :              -0.00012789953603
                   +0 :              -0.00007332481800
                   +1 :               0.00008115377269
                3p
                   -1 :               0.00005982396017
                   +0 :               0.00000327092272
                   +1 :               0.00001316802714
                3d
                   -2 :               0.00000703156267
                   -1 :              -0.00000657021051
                   +0 :               0.00000533108675
                   +1 :              -0.00000656723941
                   +2 :              -0.00000194639499
             12 vec=    -8.199513    -13.475487     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000728771361
                2s
                   +0 :              -0.00001997909766
                3s
                   +0 :               0.00000608181713
                2p
                   -1 :              -0.00014466022958
                   +0 :              -0.00007428856324
                   +1 :               0.00012208847422
                3p
                   -1 :               0.00014449804203
                   +0 :               0.00008884741270
                   +1 :              -0.00010795107455
                3d
                   -2 :              -0.00000509305851
                   -1 :              -0.00000772750817
                   +0 :              -0.00000986158274
                   +1 :              -0.00000040057744
                   +2 :               0.00000695765649
             13 vec=    -8.199513     13.475787     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00003052508396
                2s
                   +0 :               0.00026685501220
                3s
                   +0 :              -0.00005620946168
                2p
                   -1 :               0.00004485731502
                   +0 :              -0.00001917655680
                   +1 :              -0.00001928062494
                3p
                   -1 :              -0.00000528649397
                   +0 :              -0.00004410965098
                   +1 :              -0.00007473746883
                3d
                   -2 :              -0.00000458688249
                   -1 :               0.00000095341594
                   +0 :               0.00000671674356
                   +1 :               0.00000684085763
                   +2 :               0.00000154451684
             14 vec=   -15.979676      0.000150     -8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000929368852
                2s
                   +0 :               0.00007817778010
                3s
                   +0 :              -0.00002340562984
                2p
                   -1 :               0.00000766763587
                   +0 :              -0.00001716915858
                   +1 :              -0.00004685194117
                3p
                   -1 :              -0.00002092772330
                   +0 :               0.00001447391475
                   +1 :               0.00004879543369
                3d
                   -2 :               0.00000130652969
                   -1 :               0.00000238381452
                   +0 :               0.00000228785514
                   +1 :              -0.00000335082270
                   +2 :              -0.00000547519234
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 26)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00033904568329
                2s
                   +0 :              -0.00233148886152
                3s
                   +0 :               0.00077052454078
                2p
                   -1 :              -0.00080192187616
                   +0 :               0.00141885876097
                   +1 :               0.00366700880253
                3p
                   -1 :              -0.00038875670283
                   +0 :               0.00042984417908
                   +1 :              -0.00203585565604
                3d
                   -2 :               0.00015237419067
                   -1 :               0.00011849379091
                   +0 :              -0.00010367039267
                   +1 :               0.00000754923872
                   +2 :               0.00009531214356
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00030211115078
                2s
                   +0 :               0.00311376067186
                3s
                   +0 :              -0.00057729665600
                2p
                   -1 :               0.00161882296566
                   +0 :               0.00094381759929
                   +1 :               0.00037809188090
                3p
                   -1 :              -0.00088281601515
                   +0 :              -0.00060928054307
                   +1 :              -0.00012778128302
                3d
                   -2 :               0.00003058869418
                   -1 :              -0.00000704757956
                   +0 :               0.00013645802554
                   +1 :              -0.00011305008063
                   +2 :              -0.00007085672859
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00013870230572
                2s
                   +0 :               0.00153739819682
                3s
                   +0 :              -0.00022279773833
                2p
                   -1 :              -0.00113727880095
                   +0 :              -0.00215985585706
                   +1 :               0.00161340558424
                3p
                   -1 :               0.00088159999543
                   +0 :               0.00072138296308
                   +1 :               0.00013175522091
                3d
                   -2 :              -0.00007583353258
                   -1 :              -0.00009256489566
                   +0 :               0.00000953832646
                   +1 :              -0.00009848170019
                   +2 :               0.00008994525170
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00002470787017
                2s
                   +0 :              -0.00019517749348
                3s
                   +0 :              -0.00005260871006
                2p
                   -1 :               0.00103270327254
                   +0 :               0.00068693675925
                   +1 :              -0.00052147142976
                3p
                   -1 :              -0.00077464921940
                   +0 :              -0.00050262908037
                   +1 :               0.00041270104930
                3d
                   -2 :              -0.00000820806859
                   -1 :               0.00003155214367
                   +0 :               0.00006995340430
                   +1 :              -0.00002473540873
                   +2 :              -0.00007633957459
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00002764447326
                2s
                   +0 :               0.00049888859719
                3s
                   +0 :              -0.00000450262363
                2p
                   -1 :               0.00005016832836
                   +0 :               0.00012345035923
                   +1 :              -0.00000326329569
                3p
                   -1 :              -0.00002948920114
                   +0 :              -0.00007452997157
                   +1 :              -0.00006650107667
                3d
                   -2 :              -0.00000934506017
                   -1 :               0.00000822576796
                   +0 :               0.00000922309195
                   +1 :               0.00002607045565
                   +2 :               0.00001764464738
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00010898807476
                2s
                   +0 :              -0.00097457663505
                3s
                   +0 :               0.00002543417489
                2p
                   -1 :               0.00065127788567
                   +0 :               0.00011425428761
                   +1 :              -0.00013527226075
                3p
                   -1 :              -0.00048065912355
                   +0 :              -0.00004039849726
                   +1 :              -0.00006725931181
                3d
                   -2 :              -0.00000134794194
                   -1 :              -0.00001118429883
                   +0 :              -0.00001049992926
                   +1 :               0.00002731852688
                   +2 :              -0.00005096471371
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00002156609872
                2s
                   +0 :               0.00018404577725
                3s
                   +0 :              -0.00008685350930
                2p
                   -1 :              -0.00002826646033
                   +0 :              -0.00002396011892
                   +1 :              -0.00011934751684
                3p
                   -1 :               0.00001884173883
                   +0 :               0.00001584102144
                   +1 :               0.00010881239786
                3d
                   -2 :              -0.00000240858502
                   -1 :               0.00000375334778
                   +0 :               0.00000342075900
                   +1 :               0.00000453521659
                   +2 :              -0.00000619428633
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000477669115
                2s
                   +0 :               0.00013940547640
                3s
                   +0 :               0.00002152587029
                2p
                   -1 :               0.00010278500641
                   +0 :              -0.00012987362314
                   +1 :               0.00004183378095
                3p
                   -1 :              -0.00007199186889
                   +0 :               0.00006292756128
                   +1 :              -0.00011108847023
                3d
                   -2 :               0.00000983932982
                   -1 :              -0.00000820615159
                   +0 :               0.00000437373321
                   +1 :              -0.00000692843829
                   +2 :               0.00001069000420
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00003682172524
                2s
                   +0 :              -0.00018570873895
                3s
                   +0 :               0.00016525619439
                2p
                   -1 :               0.00039937369511
                   +0 :               0.00024193819896
                   +1 :              -0.00028152811849
                3p
                   -1 :              -0.00024239828675
                   +0 :              -0.00027969361720
                   +1 :               0.00011136787645
                3d
                   -2 :              -0.00002266996987
                   -1 :               0.00001680007316
                   +0 :               0.00001402927272
                   +1 :              -0.00000433012976
                   +2 :              -0.00000918254618
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001579491795
                2s
                   +0 :              -0.00009263935318
                3s
                   +0 :               0.00003192330883
                2p
                   -1 :              -0.00005095075445
                   +0 :              -0.00000321259641
                   +1 :              -0.00006574382851
                3p
                   -1 :               0.00002003776447
                   +0 :               0.00005137251004
                   +1 :               0.00002576266263
                3d
                   -2 :               0.00000472388311
                   -1 :              -0.00000076582809
                   +0 :              -0.00000857664599
                   +1 :              -0.00000328764261
                   +2 :               0.00000391952063
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000421917257
                2s
                   +0 :               0.00006870813497
                3s
                   +0 :              -0.00000904323108
                2p
                   -1 :              -0.00001320093648
                   +0 :              -0.00028854261942
                   +1 :               0.00022223092507
                3p
                   -1 :               0.00003477051663
                   +0 :               0.00018787332121
                   +1 :              -0.00009267278861
                3d
                   -2 :               0.00000818102997
                   -1 :              -0.00000137639498
                   +0 :              -0.00000054905295
                   +1 :               0.00000192489897
                   +2 :              -0.00000113177686
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00006602479992
                2s
                   +0 :              -0.00065109460913
                3s
                   +0 :               0.00012271233585
                2p
                   -1 :              -0.00028074746261
                   +0 :              -0.00019060554958
                   +1 :              -0.00011919510641
                3p
                   -1 :               0.00017602498333
                   +0 :               0.00016578426715
                   +1 :               0.00004513523399
                3d
                   -2 :               0.00002423281314
                   -1 :              -0.00001151451932
                   +0 :              -0.00001772210727
                   +1 :               0.00000551787610
                   +2 :              -0.00000435931905
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001731877392
                2s
                   +0 :              -0.00009582246633
                3s
                   +0 :               0.00004888547919
                2p
                   -1 :              -0.00012137404150
                   +0 :              -0.00003686498364
                   +1 :               0.00004851013632
                3p
                   -1 :               0.00006593540808
                   +0 :               0.00004877476304
                   +1 :              -0.00004988498052
                3d
                   -2 :               0.00000227761152
                   -1 :              -0.00000029349885
                   +0 :              -0.00000219111208
                   +1 :              -0.00000320523764
                   +2 :               0.00000401737309
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00002302753470
                2s
                   +0 :              -0.00015237723144
                3s
                   +0 :               0.00006295934484
                2p
                   -1 :              -0.00007455556069
                   +0 :              -0.00008915959706
                   +1 :              -0.00004635841722
                3p
                   -1 :               0.00003933712138
                   +0 :               0.00004594677427
                   +1 :              -0.00000624037231
                3d
                   -2 :               0.00000531292063
                   -1 :               0.00000153067864
                   +0 :               0.00000060402856
                   +1 :              -0.00000594822397
                   +2 :              -0.00000256668553
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00002075647091
                2s
                   +0 :              -0.00015458613166
                3s
                   +0 :               0.00006846616628
                2p
                   -1 :               0.00000681126585
                   +0 :              -0.00008502310717
                   +1 :               0.00010604173107
                3p
                   -1 :              -0.00002495563144
                   +0 :               0.00003898709364
                   +1 :              -0.00007952805426
                3d
                   -2 :               0.00000592371938
                   -1 :              -0.00000348973243
                   +0 :              -0.00000317204407
                   +1 :              -0.00000227562660
                   +2 :              -0.00000130754049
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 27)  npairs=  15
              1 vec=    -2.802933      4.128636     -8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00044333534176
                2s
                   +0 :               0.00456774562898
                3s
                   +0 :              -0.00064767813661
                2p
                   -1 :              -0.00056235160150
                   +0 :              -0.00317427131718
                   +1 :              -0.00179985708299
                3p
                   -1 :               0.00060521880007
                   +0 :               0.00043520707810
                   +1 :               0.00000880486158
                3d
                   -2 :              -0.00002838755697
                   -1 :              -0.00002655785148
                   +0 :               0.00004187610620
                   +1 :               0.00017136789867
                   +2 :               0.00000678339814
              2 vec=     4.977229     -0.363243     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00019969589155
                2s
                   +0 :              -0.00174067308532
                3s
                   +0 :               0.00014739808821
                2p
                   -1 :              -0.00439453329884
                   +0 :               0.00086699151642
                   +1 :              -0.00296040922336
                3p
                   -1 :               0.00328354585930
                   +0 :               0.00159838830662
                   +1 :               0.00080316410077
                3d
                   -2 :               0.00001192357293
                   -1 :              -0.00017923007093
                   +0 :              -0.00013027470745
                   +1 :               0.00010127867474
                   +2 :              -0.00014178148558
              3 vec=    -2.802933     -4.855122     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00010624504875
                2s
                   +0 :              -0.00052781685775
                3s
                   +0 :               0.00004977195356
                2p
                   -1 :               0.00155279609837
                   +0 :              -0.00060985366010
                   +1 :              -0.00137690681771
                3p
                   -1 :              -0.00084261602641
                   +0 :               0.00127014790504
                   +1 :               0.00103979553419
                3d
                   -2 :               0.00007709135538
                   -1 :               0.00000638823036
                   +0 :               0.00005010692690
                   +1 :               0.00003634031088
                   +2 :               0.00005288902761
              4 vec=     4.977229      8.620515     -8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00007777532102
                2s
                   +0 :               0.00036705142021
                3s
                   +0 :              -0.00033797719169
                2p
                   -1 :               0.00025066438216
                   +0 :               0.00006445224375
                   +1 :               0.00050094463308
                3p
                   -1 :              -0.00049464463772
                   +0 :               0.00001582318172
                   +1 :              -0.00022304195285
                3d
                   -2 :              -0.00003236139717
                   -1 :               0.00006198863855
                   +0 :               0.00000774700500
                   +1 :               0.00002756923871
                   +2 :               0.00002553768813
              5 vec=   -10.583096     -0.363243     -8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00007204123131
                2s
                   +0 :               0.00045784608013
                3s
                   +0 :              -0.00026766793105
                2p
                   -1 :              -0.00000223788582
                   +0 :              -0.00016048227159
                   +1 :               0.00016779448555
                3p
                   -1 :              -0.00002231894042
                   +0 :               0.00002433447461
                   +1 :              -0.00004921088035
                3d
                   -2 :              -0.00001753790646
                   -1 :              -0.00000235180643
                   +0 :               0.00000037918791
                   +1 :              -0.00002640793379
                   +2 :              -0.00002743617197
              6 vec=     4.977229     -9.347001     -8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00002834361525
                2s
                   +0 :               0.00017035363168
                3s
                   +0 :              -0.00007064217682
                2p
                   -1 :              -0.00019614893323
                   +0 :              -0.00009919395145
                   +1 :               0.00029251202670
                3p
                   -1 :               0.00020686041285
                   +0 :               0.00014993232760
                   +1 :              -0.00021077506680
                3d
                   -2 :              -0.00003187141815
                   -1 :               0.00000770042640
                   +0 :               0.00001440969883
                   +1 :               0.00004113236988
                   +2 :               0.00000265315309
              7 vec=    -2.802933     13.112394     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00003476847404
                2s
                   +0 :               0.00041261755000
                3s
                   +0 :              -0.00005839044190
                2p
                   -1 :               0.00026696466219
                   +0 :              -0.00020944005879
                   +1 :              -0.00002888673550
                3p
                   -1 :              -0.00010159872675
                   +0 :               0.00008883224797
                   +1 :               0.00000831346496
                3d
                   -2 :              -0.00001011941093
                   -1 :              -0.00000016865022
                   +0 :              -0.00001016138280
                   +1 :               0.00000170549309
                   +2 :              -0.00000598632886
              8 vec=    12.757392      4.128636     -8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00005568021627
                2s
                   +0 :              -0.00067502117245
                3s
                   +0 :               0.00004197808232
                2p
                   -1 :              -0.00034390556632
                   +0 :               0.00021769866714
                   +1 :              -0.00016077705451
                3p
                   -1 :               0.00019299895682
                   +0 :              -0.00009192904341
                   +1 :              -0.00002340970774
                3d
                   -2 :              -0.00001511328331
                   -1 :               0.00001908746570
                   +0 :               0.00000902703076
                   +1 :               0.00000310815498
                   +2 :              -0.00001015045619
              9 vec=   -10.583096      8.620515     -8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00000684462634
                2s
                   +0 :               0.00013227380180
                3s
                   +0 :              -0.00000141217458
                2p
                   -1 :              -0.00009509333153
                   +0 :              -0.00021965751271
                   +1 :              -0.00015133381742
                3p
                   -1 :               0.00015386358621
                   +0 :               0.00017583282864
                   +1 :               0.00005770316743
                3d
                   -2 :              -0.00001245093687
                   -1 :               0.00000841463750
                   +0 :              -0.00001378325056
                   +1 :              -0.00000490894275
                   +2 :              -0.00000786177593
             10 vec=    12.757392     -4.855122     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00001175801630
                2s
                   +0 :               0.00005439095812
                3s
                   +0 :              -0.00004474602448
                2p
                   -1 :               0.00002036323392
                   +0 :               0.00000390127499
                   +1 :               0.00012043934884
                3p
                   -1 :               0.00005673296606
                   +0 :              -0.00006169870796
                   +1 :              -0.00003815227726
                3d
                   -2 :               0.00000454432256
                   -1 :               0.00000375186379
                   +0 :              -0.00000454820371
                   +1 :              -0.00000717790777
                   +2 :               0.00000765221479
             11 vec=   -10.583096     -9.347001     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000269173102
                2s
                   +0 :              -0.00010912271465
                3s
                   +0 :               0.00004027989465
                2p
                   -1 :               0.00015355346521
                   +0 :               0.00007961179282
                   +1 :              -0.00005982181242
                3p
                   -1 :              -0.00013766630572
                   +0 :               0.00001664160838
                   +1 :               0.00011204149547
                3d
                   -2 :               0.00002164982292
                   -1 :               0.00001590200364
                   +0 :              -0.00001100596264
                   +1 :               0.00000713021561
                   +2 :              -0.00000895667615
             12 vec=    -2.802933    -13.838880     -8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00006389123971
                2s
                   +0 :               0.00035484349145
                3s
                   +0 :              -0.00015421842951
                2p
                   -1 :              -0.00006548489718
                   +0 :              -0.00001357618596
                   +1 :              -0.00029240788600
                3p
                   -1 :               0.00010745013571
                   +0 :               0.00003806954625
                   +1 :               0.00026807427795
                3d
                   -2 :               0.00000301052290
                   -1 :              -0.00000475482445
                   +0 :               0.00000969173797
                   +1 :              -0.00000544270327
                   +2 :              -0.00000020233656
             13 vec=    -2.802933      4.128636     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00001245164390
                2s
                   +0 :               0.00004038565945
                3s
                   +0 :              -0.00005260163050
                2p
                   -1 :              -0.00006782789035
                   +0 :               0.00003660298810
                   +1 :              -0.00002126752183
                3p
                   -1 :               0.00003202802359
                   +0 :              -0.00004998471328
                   +1 :               0.00000092175762
                3d
                   -2 :               0.00000063416346
                   -1 :              -0.00000468434418
                   +0 :              -0.00001222520875
                   +1 :              -0.00000312089170
                   +2 :              -0.00000327271261
             14 vec=     4.977229     -0.363243     16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00000105378988
                2s
                   +0 :               0.00002046015195
                3s
                   +0 :               0.00001040524509
                2p
                   -1 :              -0.00006607592390
                   +0 :               0.00002863850078
                   +1 :              -0.00001253339173
                3p
                   -1 :               0.00003478468821
                   +0 :               0.00001557318452
                   +1 :               0.00001182625809
                3d
                   -2 :               0.00000287536705
                   -1 :               0.00000473675016
                   +0 :              -0.00000192097269
                   +1 :              -0.00000122988070
                   +2 :              -0.00000336094641
             15 vec=    -2.802933     -4.855122     16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00001562655095
                2s
                   +0 :              -0.00012832727608
                3s
                   +0 :               0.00002281845568
                2p
                   -1 :              -0.00004882685374
                   +0 :              -0.00003455228079
                   +1 :               0.00004330485841
                3p
                   -1 :               0.00001564752626
                   +0 :              -0.00004684033436
                   +1 :              -0.00000235906483
                3d
                   -2 :              -0.00000195016530
                   -1 :              -0.00000058667117
                   +0 :              -0.00000553555977
                   +1 :               0.00000463483893
                   +2 :              -0.00000723408805
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 28)  npairs=  14
              1 vec=     2.593128     -1.739106      4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00310888760798
                2s
                   +0 :              -0.03482440750399
                3s
                   +0 :               0.00637650486106
                2p
                   -1 :               0.00242866824540
                   +0 :              -0.01089638308772
                   +1 :              -0.01248825284590
                3p
                   -1 :              -0.00296642327374
                   +0 :              -0.00298250568437
                   +1 :               0.00063444674036
                3d
                   -2 :              -0.00010029451621
                   -1 :              -0.00082295855581
                   +0 :              -0.00141844138202
                   +1 :              -0.00181831945132
                   +2 :              -0.00082881056703
              2 vec=    -5.187034      2.752773      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00059870921383
                2s
                   +0 :               0.00403509363465
                3s
                   +0 :              -0.00272617303798
                2p
                   -1 :               0.00305144427576
                   +0 :               0.00566474812261
                   +1 :              -0.00199766587097
                3p
                   -1 :              -0.00302965835544
                   +0 :              -0.00440194754971
                   +1 :               0.00146665116300
                3d
                   -2 :               0.00003370765203
                   -1 :              -0.00052588280933
                   +0 :              -0.00028915731777
                   +1 :               0.00053461547584
                   +2 :               0.00005880580520
              3 vec=     2.593128      7.244652      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00018763143360
                2s
                   +0 :               0.00120058120090
                3s
                   +0 :              -0.00001492001655
                2p
                   -1 :               0.00145433756508
                   +0 :               0.00229060389277
                   +1 :               0.00060114604991
                3p
                   -1 :              -0.00057838648754
                   +0 :              -0.00018370930383
                   +1 :              -0.00098529321156
                3d
                   -2 :              -0.00010175384210
                   -1 :               0.00002832317177
                   +0 :               0.00015193995064
                   +1 :              -0.00009703587128
                   +2 :               0.00007929535525
              4 vec=    -5.187034     -6.230985      4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00037743117938
                2s
                   +0 :              -0.00248966047342
                3s
                   +0 :               0.00052782675969
                2p
                   -1 :              -0.00109811663612
                   +0 :              -0.00237868950970
                   +1 :               0.00115879447456
                3p
                   -1 :               0.00102666512124
                   +0 :               0.00011064649938
                   +1 :              -0.00060305164457
                3d
                   -2 :              -0.00016890318760
                   -1 :               0.00016362224327
                   +0 :              -0.00006275646784
                   +1 :               0.00019931257612
                   +2 :               0.00005425061064
              5 vec=    10.373291      2.752773      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00014857947234
                2s
                   +0 :              -0.00062646187234
                3s
                   +0 :               0.00039296470296
                2p
                   -1 :               0.00007734902603
                   +0 :               0.00031120122545
                   +1 :              -0.00047642314379
                3p
                   -1 :              -0.00007111619160
                   +0 :              -0.00028897736991
                   +1 :               0.00045610142034
                3d
                   -2 :              -0.00002468768863
                   -1 :              -0.00003676880704
                   +0 :               0.00006930915217
                   +1 :              -0.00005859666415
                   +2 :               0.00000412742603
              6 vec=     2.593128    -10.722864      4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00003307605793
                2s
                   +0 :              -0.00040457239534
                3s
                   +0 :              -0.00006992152343
                2p
                   -1 :               0.00084995695444
                   +0 :              -0.00084421228593
                   +1 :              -0.00005405609278
                3p
                   -1 :              -0.00041675919055
                   +0 :               0.00067458620323
                   +1 :              -0.00009920577801
                3d
                   -2 :               0.00004374034932
                   -1 :               0.00000888147728
                   +0 :               0.00008124701704
                   +1 :               0.00001308613747
                   +2 :               0.00004588477169
              7 vec=    10.373291     -6.230985      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00001857638994
                2s
                   +0 :              -0.00010901174958
                3s
                   +0 :               0.00010506885195
                2p
                   -1 :              -0.00000383472373
                   +0 :               0.00021702935023
                   +1 :               0.00005548259431
                3p
                   -1 :              -0.00006052906824
                   +0 :              -0.00023248764729
                   +1 :              -0.00000121468562
                3d
                   -2 :               0.00000174020310
                   -1 :               0.00003150889728
                   +0 :              -0.00001385609658
                   +1 :               0.00000540124005
                   +2 :              -0.00001180330940
              8 vec=    -5.187034     11.736531      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00000704059495
                2s
                   +0 :               0.00047078003333
                3s
                   +0 :               0.00011908244810
                2p
                   -1 :              -0.00021669228055
                   +0 :               0.00017961039139
                   +1 :               0.00018549856263
                3p
                   -1 :               0.00033124201957
                   +0 :               0.00010510650033
                   +1 :              -0.00016202229266
                3d
                   -2 :              -0.00000204440927
                   -1 :               0.00000752969015
                   +0 :               0.00002930894677
                   +1 :               0.00002144171391
                   +2 :              -0.00001047066776
              9 vec=   -12.967197     -1.739106      4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00014720764905
                2s
                   +0 :              -0.00115007981723
                3s
                   +0 :               0.00041766761075
                2p
                   -1 :              -0.00019266701666
                   +0 :              -0.00014744429631
                   +1 :               0.00043140461404
                3p
                   -1 :               0.00014695347600
                   +0 :               0.00008603663965
                   +1 :              -0.00016802666266
                3d
                   -2 :              -0.00003609836810
                   -1 :              -0.00000154646753
                   +0 :              -0.00000229441621
                   +1 :              -0.00000290413426
                   +2 :              -0.00000478482038
             10 vec=   -12.967197      7.244652      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00001391809780
                2s
                   +0 :               0.00009226070578
                3s
                   +0 :               0.00000430495017
                2p
                   -1 :              -0.00003736106901
                   +0 :               0.00007757002823
                   +1 :              -0.00014234371281
                3p
                   -1 :               0.00001830187769
                   +0 :              -0.00004610662800
                   +1 :               0.00004927968899
                3d
                   -2 :              -0.00000179747126
                   -1 :              -0.00000504287711
                   +0 :               0.00000876087057
                   +1 :               0.00000906028345
                   +2 :              -0.00000373696122
             11 vec=    10.373291     11.736531      4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00002504444298
                2s
                   +0 :               0.00018909018008
                3s
                   +0 :              -0.00003571970079
                2p
                   -1 :               0.00010641515812
                   +0 :              -0.00009971885503
                   +1 :               0.00020422234253
                3p
                   -1 :              -0.00003370746338
                   +0 :               0.00012084942041
                   +1 :              -0.00005129364981
                3d
                   -2 :              -0.00000322014889
                   -1 :               0.00000907954578
                   +0 :              -0.00000415445110
                   +1 :               0.00000939040965
                   +2 :              -0.00000239263516
             12 vec=    -5.187034    -15.214743      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00002268190575
                2s
                   +0 :              -0.00026216604796
                3s
                   +0 :               0.00005752218400
                2p
                   -1 :               0.00001189129014
                   +0 :               0.00005449324972
                   +1 :               0.00001841352776
                3p
                   -1 :               0.00012722608446
                   +0 :              -0.00005877545627
                   +1 :               0.00002337841667
                3d
                   -2 :              -0.00002072299692
                   -1 :              -0.00000931254072
                   +0 :               0.00000571952686
                   +1 :              -0.00000052393807
                   +2 :               0.00000149212762
             13 vec=     2.593128     16.228410      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00001838375495
                2s
                   +0 :               0.00011859006446
                3s
                   +0 :              -0.00002946745972
                2p
                   -1 :               0.00002165673133
                   +0 :              -0.00009905313684
                   +1 :               0.00008351709056
                3p
                   -1 :               0.00003440469155
                   +0 :               0.00006133889745
                   +1 :              -0.00005041636421
                3d
                   -2 :               0.00000764027170
                   -1 :              -0.00000053024251
                   +0 :               0.00000024809836
                   +1 :              -0.00000125450992
                   +2 :              -0.00000479452663
             14 vec=   -12.967197    -10.722864      4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00000787009809
                2s
                   +0 :              -0.00011727662553
                3s
                   +0 :               0.00000048705399
                2p
                   -1 :               0.00002754646480
                   +0 :              -0.00000471647721
                   +1 :               0.00008752453638
                3p
                   -1 :               0.00001319572432
                   +0 :               0.00002930358853
                   +1 :              -0.00001889545565
                3d
                   -2 :              -0.00000265208626
                   -1 :               0.00000058207254
                   +0 :               0.00000445522115
                   +1 :              -0.00000415156166
                   +2 :              -0.00000077909285
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 29)  npairs=  14
              1 vec=    -0.418832      2.752773      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00179929596004
                2s
                   +0 :               0.05215512881599
                3s
                   +0 :              -0.00361029356747
                2p
                   -1 :               0.00913556343837
                   +0 :               0.03449149078495
                   +1 :              -0.00430616876426
                3p
                   -1 :              -0.00031307989974
                   +0 :              -0.00509069893635
                   +1 :               0.00226700362897
                3d
                   -2 :              -0.00015067510125
                   -1 :               0.00034160652220
                   +0 :               0.00160611840045
                   +1 :               0.00017599359937
                   +2 :              -0.00056519101544
              2 vec=    -0.418832     -6.230985      4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00010994959661
                2s
                   +0 :              -0.00128197581528
                3s
                   +0 :               0.00034483089457
                2p
                   -1 :               0.00493086239283
                   +0 :               0.00323247093907
                   +1 :              -0.00388016507658
                3p
                   -1 :              -0.00219443673675
                   +0 :              -0.00456678580602
                   +1 :               0.00361504617771
                3d
                   -2 :               0.00004660755399
                   -1 :              -0.00035788017231
                   +0 :              -0.00038081949280
                   +1 :              -0.00008333955835
                   +2 :              -0.00028472245265
              3 vec=     7.361331     -1.739106      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00041348227427
                2s
                   +0 :               0.00356406694843
                3s
                   +0 :              -0.00125895692259
                2p
                   -1 :              -0.00138369727832
                   +0 :               0.00579980891916
                   +1 :               0.00029479097710
                3p
                   -1 :               0.00061719125850
                   +0 :              -0.00289590058683
                   +1 :              -0.00075407441617
                3d
                   -2 :               0.00007987506095
                   -1 :              -0.00005681658136
                   +0 :               0.00015571224737
                   +1 :              -0.00020925558517
                   +2 :              -0.00009655462507
              4 vec=    -8.198995     -1.739106      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00002518593253
                2s
                   +0 :              -0.00013727065877
                3s
                   +0 :              -0.00039562400245
                2p
                   -1 :              -0.00200211909668
                   +0 :               0.00008632110559
                   +1 :              -0.00062390372025
                3p
                   -1 :               0.00180043906861
                   +0 :               0.00048170185450
                   +1 :               0.00134507015833
                3d
                   -2 :              -0.00009663752279
                   -1 :               0.00002219004775
                   +0 :               0.00007075426559
                   +1 :              -0.00005826308047
                   +2 :              -0.00008622677156
              5 vec=     7.361331      7.244652      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00021525906097
                2s
                   +0 :              -0.00090901325121
                3s
                   +0 :               0.00073976690755
                2p
                   -1 :              -0.00019505188124
                   +0 :               0.00007103343819
                   +1 :              -0.00007398914515
                3p
                   -1 :               0.00026906477346
                   +0 :               0.00018991054372
                   +1 :               0.00057948114644
                3d
                   -2 :               0.00002859632782
                   -1 :              -0.00001886026456
                   +0 :               0.00001377340421
                   +1 :               0.00001131104506
                   +2 :               0.00003584340711
              6 vec=    -8.198995      7.244652      4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00005108328885
                2s
                   +0 :               0.00002316476481
                3s
                   +0 :               0.00011022185514
                2p
                   -1 :               0.00029041968789
                   +0 :              -0.00015517594915
                   +1 :               0.00051090304189
                3p
                   -1 :              -0.00025677907949
                   +0 :               0.00023092102908
                   +1 :              -0.00077023717475
                3d
                   -2 :              -0.00003520123731
                   -1 :               0.00001012976607
                   +0 :              -0.00006726138401
                   +1 :               0.00003016492250
                   +2 :               0.00001898366636
              7 vec=    -0.418832     11.736531      4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00002780913812
                2s
                   +0 :               0.00075359626534
                3s
                   +0 :               0.00003843018346
                2p
                   -1 :               0.00081546746206
                   +0 :               0.00059035285123
                   +1 :              -0.00000692039395
                3p
                   -1 :              -0.00049598692035
                   +0 :              -0.00053899922815
                   +1 :              -0.00002548244115
                3d
                   -2 :              -0.00000812149555
                   -1 :              -0.00009000125680
                   +0 :              -0.00002721995518
                   +1 :               0.00000569498781
                   +2 :               0.00000141515340
              8 vec=     7.361331    -10.722864      4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00000396060379
                2s
                   +0 :              -0.00031880346914
                3s
                   +0 :              -0.00011792317245
                2p
                   -1 :              -0.00029429227949
                   +0 :              -0.00055550062126
                   +1 :              -0.00001981733822
                3p
                   -1 :               0.00029193838163
                   +0 :               0.00014403715883
                   +1 :              -0.00022149425671
                3d
                   -2 :               0.00002341335000
                   -1 :               0.00000617657981
                   +0 :               0.00000357612671
                   +1 :              -0.00001653338173
                   +2 :               0.00000340945318
              9 vec=    -8.198995    -10.722864      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00008878452737
                2s
                   +0 :              -0.00089086991634
                3s
                   +0 :               0.00017967918516
                2p
                   -1 :               0.00009833246624
                   +0 :              -0.00028223059585
                   +1 :               0.00048342742558
                3p
                   -1 :              -0.00007783070654
                   +0 :               0.00003955602861
                   +1 :              -0.00025405850861
                3d
                   -2 :               0.00003462422097
                   -1 :              -0.00000084279879
                   +0 :              -0.00001373962132
                   +1 :              -0.00001058113145
                   +2 :              -0.00000044348525
             10 vec=    -0.418832    -15.214743      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000763459918
                2s
                   +0 :              -0.00012549715677
                3s
                   +0 :              -0.00000887814095
                2p
                   -1 :               0.00010261262682
                   +0 :              -0.00004408575199
                   +1 :              -0.00028361763790
                3p
                   -1 :              -0.00001537683583
                   +0 :              -0.00003736214641
                   +1 :               0.00021418259795
                3d
                   -2 :              -0.00000810655402
                   -1 :              -0.00000368522489
                   +0 :              -0.00000161148619
                   +1 :               0.00000684815481
                   +2 :               0.00001011154208
             11 vec=    15.141493      2.752773      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00003380322942
                2s
                   +0 :               0.00022304236635
                3s
                   +0 :              -0.00008856388717
                2p
                   -1 :              -0.00006017881887
                   +0 :               0.00012886141470
                   +1 :               0.00010024047862
                3p
                   -1 :               0.00005353260027
                   +0 :              -0.00011409573473
                   +1 :              -0.00002502581603
                3d
                   -2 :               0.00000693171909
                   -1 :              -0.00000205550179
                   +0 :              -0.00000642837618
                   +1 :              -0.00001361378233
                   +2 :               0.00000162534168
             12 vec=   -15.979157      2.752773      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00000531800064
                2s
                   +0 :              -0.00006590040231
                3s
                   +0 :               0.00001919741738
                2p
                   -1 :              -0.00016120668958
                   +0 :               0.00004118243825
                   +1 :              -0.00008557618927
                3p
                   -1 :               0.00009154114238
                   +0 :              -0.00001540684366
                   +1 :               0.00008575615099
                3d
                   -2 :              -0.00000286608272
                   -1 :              -0.00000363523172
                   +0 :               0.00000559265158
                   +1 :               0.00000190746694
                   +2 :              -0.00000552586761
             13 vec=    15.141493     -6.230985      4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000406348847
                2s
                   +0 :               0.00006155810053
                3s
                   +0 :              -0.00000126059177
                2p
                   -1 :              -0.00002522640496
                   +0 :              -0.00000336484599
                   +1 :              -0.00005897000253
                3p
                   -1 :               0.00002815216211
                   +0 :              -0.00000822203628
                   +1 :               0.00007056981862
                3d
                   -2 :               0.00000477600329
                   -1 :              -0.00000030404576
                   +0 :              -0.00000454969403
                   +1 :              -0.00000590711098
                   +2 :              -0.00000102068811
             14 vec=   -15.979157     -6.230985      4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00001972410267
                2s
                   +0 :              -0.00017548578546
                3s
                   +0 :               0.00004617374973
                2p
                   -1 :               0.00009332149273
                   +0 :              -0.00000017289041
                   +1 :               0.00007149659185
                3p
                   -1 :              -0.00006413125508
                   +0 :              -0.00000563161349
                   +1 :              -0.00001858099729
                3d
                   -2 :               0.00000623322655
                   -1 :               0.00000351154524
                   +0 :              -0.00000364971049
                   +1 :              -0.00000069756395
                   +2 :               0.00000402809034
WF             site_B          number of pairs
WF(  9)=[O_2_2py]  to site O ( 30)  npairs=  14
              1 vec=    -2.802933     -1.376611      4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00271777579961
                2s
                   +0 :              -0.03168662436859
                3s
                   +0 :               0.00592860623557
                2p
                   -1 :               0.00722966402197
                   +0 :              -0.01480980977101
                   +1 :               0.01555810647954
                3p
                   -1 :              -0.00869959307076
                   +0 :               0.00049879492070
                   +1 :              -0.00405347342393
                3d
                   -2 :               0.00038690628809
                   -1 :              -0.00125105929598
                   +0 :              -0.00076922378747
                   +1 :               0.00145441019073
                   +2 :              -0.00091953494673
              2 vec=     4.977229      3.115268      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00065014542188
                2s
                   +0 :               0.00449138922713
                3s
                   +0 :              -0.00188679865705
                2p
                   -1 :               0.00595319497340
                   +0 :              -0.00038374612201
                   +1 :               0.00156208862540
                3p
                   -1 :              -0.00526085026991
                   +0 :               0.00091476320163
                   +1 :              -0.00087929179016
                3d
                   -2 :              -0.00021891869623
                   -1 :               0.00000376389546
                   +0 :               0.00014412718629
                   +1 :              -0.00008362293217
                   +2 :              -0.00004998180945
              3 vec=     4.977229     -5.868490      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00012547806155
                2s
                   +0 :               0.00116997334700
                3s
                   +0 :              -0.00060890369572
                2p
                   -1 :               0.00097744781034
                   +0 :              -0.00109867361289
                   +1 :              -0.00003730286042
                3p
                   -1 :              -0.00110073325119
                   +0 :               0.00036355398784
                   +1 :              -0.00035861216606
                3d
                   -2 :              -0.00007225319368
                   -1 :              -0.00005591683889
                   +0 :              -0.00008796082646
                   +1 :              -0.00010788247521
                   +2 :              -0.00013436866515
              4 vec=    -2.802933      7.607147      4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00023582966461
                2s
                   +0 :               0.00140703372924
                3s
                   +0 :              -0.00039433582752
                2p
                   -1 :               0.00148640115438
                   +0 :               0.00309396144403
                   +1 :               0.00015181435427
                3p
                   -1 :              -0.00093861446633
                   +0 :              -0.00188251797213
                   +1 :               0.00017574694196
                3d
                   -2 :               0.00004157004498
                   -1 :              -0.00004235979276
                   +0 :               0.00004290789902
                   +1 :               0.00000735503111
                   +2 :               0.00008183352726
              5 vec=    -2.802933    -10.360369      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00010641908934
                2s
                   +0 :              -0.00126733583538
                3s
                   +0 :               0.00032757097549
                2p
                   -1 :               0.00126482067178
                   +0 :               0.00015603974758
                   +1 :               0.00041185782562
                3p
                   -1 :              -0.00078559677437
                   +0 :              -0.00035845496973
                   +1 :              -0.00014987337986
                3d
                   -2 :              -0.00002776097607
                   -1 :               0.00007547610253
                   +0 :              -0.00004699965003
                   +1 :               0.00010173919780
                   +2 :              -0.00006072561289
              6 vec=   -10.583096      3.115268      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00000640911235
                2s
                   +0 :               0.00008661501771
                3s
                   +0 :              -0.00004877269123
                2p
                   -1 :              -0.00013454839823
                   +0 :               0.00073026433410
                   +1 :               0.00027410710831
                3p
                   -1 :              -0.00012677072293
                   +0 :              -0.00056124414501
                   +1 :              -0.00017821158340
                3d
                   -2 :               0.00002544949389
                   -1 :              -0.00003846437008
                   +0 :               0.00009893467803
                   +1 :               0.00003489496674
                   +2 :               0.00001230997557
              7 vec=   -10.583096     -5.868490      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00006996181661
                2s
                   +0 :              -0.00081863665036
                3s
                   +0 :               0.00015934865584
                2p
                   -1 :               0.00073233701347
                   +0 :              -0.00051866092051
                   +1 :              -0.00007324170526
                3p
                   -1 :              -0.00045438655312
                   +0 :               0.00034429635354
                   +1 :               0.00015791154434
                3d
                   -2 :              -0.00001197375410
                   -1 :               0.00000295495881
                   +0 :               0.00001914450264
                   +1 :              -0.00001177916299
                   +2 :              -0.00003669863545
              8 vec=    12.757392     -1.376611      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00002846000347
                2s
                   +0 :              -0.00020875773740
                3s
                   +0 :               0.00009137560358
                2p
                   -1 :              -0.00037824002309
                   +0 :              -0.00015781501567
                   +1 :              -0.00017703763217
                3p
                   -1 :               0.00034708331984
                   +0 :               0.00008825091046
                   +1 :               0.00004588298113
                3d
                   -2 :               0.00003460782940
                   -1 :              -0.00002762272902
                   +0 :              -0.00001342466621
                   +1 :               0.00000343333059
                   +2 :              -0.00001341421568
              9 vec=     4.977229     12.099026      4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00001290495753
                2s
                   +0 :               0.00045601943358
                3s
                   +0 :               0.00006650567854
                2p
                   -1 :              -0.00019751038927
                   +0 :               0.00008775231491
                   +1 :               0.00002005849575
                3p
                   -1 :               0.00034997030166
                   +0 :               0.00011141669250
                   +1 :               0.00002406881388
                3d
                   -2 :               0.00000798591136
                   -1 :               0.00001277408734
                   +0 :               0.00001552498634
                   +1 :              -0.00002038337286
                   +2 :              -0.00000975498862
             10 vec=    12.757392      7.607147      4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00000461520458
                2s
                   +0 :              -0.00003935156587
                3s
                   +0 :               0.00001328274415
                2p
                   -1 :               0.00010960084459
                   +0 :              -0.00004787252890
                   +1 :               0.00011825148573
                3p
                   -1 :              -0.00008841174431
                   +0 :              -0.00005700334205
                   +1 :              -0.00004450177145
                3d
                   -2 :              -0.00000352000338
                   -1 :               0.00000655469255
                   +0 :               0.00000288740471
                   +1 :              -0.00000473871928
                   +2 :              -0.00000114099611
             11 vec=     4.977229    -14.852248      4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000416506715
                2s
                   +0 :              -0.00003072496188
                3s
                   +0 :              -0.00001590461792
                2p
                   -1 :               0.00013706740592
                   +0 :               0.00002779966644
                   +1 :               0.00004656958045
                3p
                   -1 :              -0.00000818803030
                   +0 :              -0.00002202868825
                   +1 :              -0.00007638016968
                3d
                   -2 :               0.00000486105558
                   -1 :              -0.00000787208565
                   +0 :               0.00001127550748
                   +1 :               0.00000759271664
                   +2 :              -0.00000592187836
             12 vec=   -10.583096     12.099026      4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00003788746069
                2s
                   +0 :               0.00028149761392
                3s
                   +0 :              -0.00008158265532
                2p
                   -1 :               0.00002499187469
                   +0 :              -0.00011108188330
                   +1 :              -0.00015970919656
                3p
                   -1 :               0.00003666414724
                   +0 :               0.00014924057713
                   +1 :               0.00003677381076
                3d
                   -2 :              -0.00000065296379
                   -1 :               0.00000105161187
                   +0 :              -0.00000234524169
                   +1 :              -0.00001090376760
                   +2 :               0.00000251130399
             13 vec=    12.757392    -10.360369      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00000568479864
                2s
                   +0 :               0.00001809662491
                3s
                   +0 :               0.00003287311127
                2p
                   -1 :               0.00001314475675
                   +0 :              -0.00002207203523
                   +1 :              -0.00001589115141
                3p
                   -1 :              -0.00002376665594
                   +0 :               0.00002949786386
                   +1 :               0.00000038060365
                3d
                   -2 :               0.00000385255416
                   -1 :              -0.00000191328777
                   +0 :              -0.00000281931671
                   +1 :              -0.00000164014348
                   +2 :              -0.00000299855086
             14 vec=    -2.802933     16.590905      4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00003396788140
                2s
                   +0 :               0.00029819765424
                3s
                   +0 :              -0.00006560487169
                2p
                   -1 :              -0.00001219407187
                   +0 :               0.00003531602665
                   +1 :              -0.00005383261093
                3p
                   -1 :               0.00011269922554
                   +0 :               0.00001487443717
                   +1 :               0.00003688323949
                3d
                   -2 :              -0.00000655699491
                   -1 :               0.00000149011708
                   +0 :               0.00000294086100
                   +1 :               0.00000023731824
                   +2 :              -0.00000842196130
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al(  1)  npairs=  14
              1 vec=     2.383842      1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.01915652507103
                2p
                   -1 :               0.01460796559150
                   +0 :               0.01779594381072
                   +1 :               0.02017674214043
                3s
                   +0 :               0.08093439332903
                4s
                   +0 :               0.00493558055837
                3p
                   -1 :               0.02591573230475
                   +0 :               0.02850020157023
                   +1 :               0.05515055134817
                4p
                   -1 :               0.00836801117755
                   +0 :               0.00875638807356
                   +1 :               0.00931310158431
                3d
                   -2 :               0.03638032701900
                   -1 :               0.01968011451828
                   +0 :              -0.01016279210592
                   +1 :               0.03173253583793
                   +2 :               0.01841953290034
              2 vec=    -5.396321     -3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00235793145449
                2p
                   -1 :               0.00150420677128
                   +0 :              -0.00031731638965
                   +1 :               0.00118507897126
                3s
                   +0 :               0.01001891926201
                4s
                   +0 :              -0.00566256417079
                3p
                   -1 :              -0.00659617727078
                   +0 :              -0.00226160807083
                   +1 :              -0.00452439216648
                4p
                   -1 :               0.00257817190583
                   +0 :              -0.00116197597894
                   +1 :               0.00227952685056
                3d
                   -2 :               0.00114418499933
                   -1 :               0.00010203385762
                   +0 :               0.00338453694056
                   +1 :              -0.00055188550202
                   +2 :               0.00070653589104
              3 vec=    -5.396321      5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00118563584973
                2p
                   -1 :               0.00038713698154
                   +0 :               0.00049157508575
                   +1 :              -0.00031300168107
                3s
                   +0 :              -0.00878882029758
                4s
                   +0 :               0.00336114530282
                3p
                   -1 :              -0.00383232173819
                   +0 :              -0.00555691698961
                   +1 :               0.00410771976948
                4p
                   -1 :               0.00161490126274
                   +0 :               0.00140973741493
                   +1 :              -0.00098291624601
                3d
                   -2 :               0.00088990208215
                   -1 :              -0.00111624417492
                   +0 :              -0.00024795008284
                   +1 :               0.00107405825753
                   +2 :              -0.00002969875209
              4 vec=     2.383842     -7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00156181802526
                2p
                   -1 :              -0.00035898460687
                   +0 :               0.00024186969278
                   +1 :              -0.00020327965862
                3s
                   +0 :              -0.00592152933923
                4s
                   +0 :               0.00226251335386
                3p
                   -1 :               0.00318837989558
                   +0 :              -0.00155049479977
                   +1 :              -0.00016267052619
                4p
                   -1 :              -0.00060111091820
                   +0 :               0.00039040630405
                   +1 :              -0.00005157388822
                3d
                   -2 :              -0.00077401781417
                   -1 :               0.00032516440441
                   +0 :               0.00007420558250
                   +1 :               0.00053903688698
                   +2 :               0.00067516715551
              5 vec=     2.383842     10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00014548845334
                2p
                   -1 :               0.00000642811892
                   +0 :              -0.00000718914159
                   +1 :              -0.00008322152858
                3s
                   +0 :              -0.00028609994199
                4s
                   +0 :              -0.00000306127877
                3p
                   -1 :               0.00057913334577
                   +0 :               0.00043086662298
                   +1 :              -0.00027870179715
                4p
                   -1 :              -0.00022615303615
                   +0 :              -0.00009377089772
                   +1 :              -0.00002184577197
                3d
                   -2 :              -0.00032840576239
                   -1 :              -0.00016761888008
                   +0 :              -0.00037280692466
                   +1 :               0.00005069793144
                   +2 :              -0.00002383269750
              6 vec=    10.164004     -3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00043779098888
                2p
                   -1 :              -0.00007098542487
                   +0 :              -0.00040366416181
                   +1 :               0.00038889156015
                3s
                   +0 :               0.00022433804176
                4s
                   +0 :               0.00008302008883
                3p
                   -1 :              -0.00077469465676
                   +0 :               0.00216640897375
                   +1 :              -0.00087900541641
                4p
                   -1 :              -0.00004326957901
                   +0 :              -0.00050993663931
                   +1 :               0.00021496403355
                3d
                   -2 :              -0.00030293926002
                   -1 :               0.00023050494787
                   +0 :              -0.00018200842073
                   +1 :               0.00021894334920
                   +2 :              -0.00044225124798
              7 vec=    10.164004      5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00062467241480
                2p
                   -1 :               0.00016621439716
                   +0 :              -0.00021405064302
                   +1 :              -0.00010854510367
                3s
                   +0 :               0.00208736139274
                4s
                   +0 :              -0.00010301131008
                3p
                   -1 :              -0.00103790943213
                   +0 :               0.00125007192119
                   +1 :               0.00007332970200
                4p
                   -1 :               0.00040858274763
                   +0 :              -0.00029262444510
                   +1 :               0.00026427206341
                3d
                   -2 :              -0.00012515562594
                   -1 :               0.00001061168456
                   +0 :              -0.00004876797400
                   +1 :               0.00005412702229
                   +2 :               0.00048612610597
              8 vec=   -13.176483      1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00017913395592
                2p
                   -1 :               0.00001650885617
                   +0 :               0.00009142573824
                   +1 :              -0.00002120396654
                3s
                   +0 :              -0.00038266037326
                4s
                   +0 :               0.00023178476490
                3p
                   -1 :              -0.00001157354263
                   +0 :              -0.00033167406450
                   +1 :               0.00003843205718
                4p
                   -1 :               0.00006465742582
                   +0 :               0.00008138767923
                   +1 :              -0.00005017557376
                3d
                   -2 :               0.00013360638038
                   -1 :              -0.00008719993406
                   +0 :               0.00001400550820
                   +1 :               0.00008916296003
                   +2 :               0.00025257276651
              9 vec=    -5.396321    -12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00007673391979
                2p
                   -1 :               0.00000079744281
                   +0 :              -0.00006811874666
                   +1 :              -0.00004251264172
                3s
                   +0 :               0.00025770813432
                4s
                   +0 :              -0.00008015209347
                3p
                   -1 :              -0.00027654652526
                   +0 :               0.00034534843145
                   +1 :               0.00020379283347
                4p
                   -1 :               0.00009829005956
                   +0 :              -0.00001993858634
                   +1 :              -0.00002977457223
                3d
                   -2 :               0.00002639400600
                   -1 :              -0.00010246547443
                   +0 :               0.00004934233812
                   +1 :              -0.00004599269039
                   +2 :              -0.00003099958988
             10 vec=   -13.176483     -7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00004870488837
                2p
                   -1 :               0.00004173313551
                   +0 :              -0.00000229629097
                   +1 :               0.00003085796995
                3s
                   +0 :               0.00034976442992
                4s
                   +0 :              -0.00012449012078
                3p
                   -1 :              -0.00021267715247
                   +0 :              -0.00001738550149
                   +1 :              -0.00017549801039
                4p
                   -1 :               0.00008615119504
                   +0 :              -0.00000828591055
                   +1 :               0.00004897107064
                3d
                   -2 :               0.00005761380726
                   -1 :               0.00001009388166
                   +0 :               0.00002276618846
                   +1 :               0.00000398845156
                   +2 :               0.00003543682543
             11 vec=    -5.396321     14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00009733490404
                2p
                   -1 :               0.00002803334017
                   +0 :              -0.00001597876995
                   +1 :               0.00000683018306
                3s
                   +0 :              -0.00040343571902
                4s
                   +0 :               0.00007048726823
                3p
                   -1 :              -0.00000117444906
                   +0 :              -0.00019435011000
                   +1 :               0.00010806715192
                4p
                   -1 :               0.00000848672299
                   +0 :              -0.00000965340744
                   +1 :               0.00000863350255
                3d
                   -2 :               0.00002876762007
                   -1 :              -0.00003783808264
                   +0 :               0.00002861147352
                   +1 :               0.00007191495603
                   +2 :              -0.00007384350609
             12 vec=    10.164004    -12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00001545076704
                2p
                   -1 :              -0.00002547340482
                   +0 :               0.00005550950610
                   +1 :              -0.00006617093497
                3s
                   +0 :              -0.00002790689275
                4s
                   +0 :              -0.00002288713629
                3p
                   -1 :               0.00023005188633
                   +0 :              -0.00048899958671
                   +1 :               0.00047020988140
                4p
                   -1 :              -0.00003500650160
                   +0 :               0.00005699599365
                   +1 :              -0.00008104922216
                3d
                   -2 :              -0.00004780029827
                   -1 :               0.00003903181453
                   +0 :               0.00000056531200
                   +1 :              -0.00008745464454
                   +2 :               0.00008760998675
             13 vec=   -13.176483     10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00004035724490
                2p
                   -1 :              -0.00000659824712
                   +0 :               0.00001218646235
                   +1 :              -0.00001906614037
                3s
                   +0 :              -0.00018479149990
                4s
                   +0 :               0.00004118460345
                3p
                   -1 :               0.00008325234922
                   +0 :              -0.00009936066307
                   +1 :               0.00010714247241
                4p
                   -1 :              -0.00004259218920
                   +0 :               0.00001067125652
                   +1 :              -0.00001940833232
                3d
                   -2 :              -0.00001566491704
                   -1 :               0.00000920707476
                   +0 :              -0.00002173597577
                   +1 :               0.00000245478497
                   +2 :              -0.00003478006905
             14 vec=     2.383842    -16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00002502443044
                2p
                   -1 :               0.00001418248745
                   +0 :              -0.00001242054959
                   +1 :               0.00000729782676
                3s
                   +0 :               0.00007091171198
                4s
                   +0 :              -0.00003069041593
                3p
                   -1 :              -0.00007069588582
                   +0 :              -0.00001327065266
                   +1 :              -0.00002036867938
                4p
                   -1 :               0.00002476173175
                   +0 :               0.00000780233705
                   +1 :               0.00000707854632
                3d
                   -2 :               0.00002809574920
                   -1 :              -0.00001797217848
                   +0 :               0.00001093710203
                   +1 :              -0.00000219968590
                   +2 :               0.00000895946789
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al(  2)  npairs=  13
              1 vec=     2.383842      1.376312      9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00052496013488
                2p
                   -1 :               0.00032410769655
                   +0 :              -0.00021750167132
                   +1 :               0.00026982374385
                3s
                   +0 :              -0.00015754405562
                4s
                   +0 :               0.00000058910800
                3p
                   -1 :              -0.00139606313948
                   +0 :               0.00183274895374
                   +1 :              -0.00073062742564
                4p
                   -1 :               0.00031084457506
                   +0 :              -0.00059889551338
                   +1 :              -0.00001448509212
                3d
                   -2 :               0.00016309702533
                   -1 :               0.00046946756394
                   +0 :               0.00013122110139
                   +1 :               0.00055397839172
                   +2 :              -0.00025330313755
              2 vec=    -5.396321     -3.115567      9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00095836387213
                2p
                   -1 :              -0.00007184608653
                   +0 :              -0.00026904214489
                   +1 :               0.00017351450370
                3s
                   +0 :               0.00383127810530
                4s
                   +0 :              -0.00148652257050
                3p
                   -1 :               0.00042234652506
                   +0 :               0.00237847922160
                   +1 :              -0.00103224989598
                4p
                   -1 :              -0.00020301319390
                   +0 :              -0.00076009241522
                   +1 :               0.00030838882112
                3d
                   -2 :              -0.00013554249441
                   -1 :              -0.00003230485622
                   +0 :               0.00053026695667
                   +1 :              -0.00015751645191
                   +2 :              -0.00019938621238
              3 vec=    -5.396321      5.868191      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00025325997620
                2p
                   -1 :               0.00021496968949
                   +0 :               0.00013797063366
                   +1 :              -0.00026120288882
                3s
                   +0 :               0.00229859036490
                4s
                   +0 :               0.00012347339838
                3p
                   -1 :               0.00027244365099
                   +0 :               0.00032913934093
                   +1 :              -0.00178243735858
                4p
                   -1 :               0.00027186755310
                   +0 :              -0.00006302160071
                   +1 :              -0.00009047102677
                3d
                   -2 :              -0.00061512205165
                   -1 :               0.00003855204075
                   +0 :              -0.00041968913624
                   +1 :              -0.00018244835177
                   +2 :               0.00052504079659
              4 vec=     2.383842     -7.607446      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00004312712873
                2p
                   -1 :              -0.00015855913877
                   +0 :               0.00006950129322
                   +1 :               0.00021210288212
                3s
                   +0 :               0.00151074091320
                4s
                   +0 :               0.00009206221574
                3p
                   -1 :              -0.00084673414398
                   +0 :               0.00014998564376
                   +1 :              -0.00065453569786
                4p
                   -1 :              -0.00022006952356
                   +0 :               0.00008717909260
                   +1 :               0.00039911952184
                3d
                   -2 :              -0.00008498284096
                   -1 :              -0.00008894378515
                   +0 :              -0.00026806131205
                   +1 :               0.00012120771182
                   +2 :              -0.00027996676800
              5 vec=     2.383842     10.360070      9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00009424787785
                2p
                   -1 :               0.00004332243339
                   +0 :               0.00000936789599
                   +1 :               0.00017980746634
                3s
                   +0 :              -0.00062677030443
                4s
                   +0 :               0.00020793438570
                3p
                   -1 :              -0.00031841080740
                   +0 :              -0.00030852035925
                   +1 :              -0.00083704614551
                4p
                   -1 :               0.00009825512425
                   +0 :               0.00008201496491
                   +1 :               0.00016919698098
                3d
                   -2 :              -0.00016006315666
                   -1 :              -0.00001869289688
                   +0 :              -0.00009682184873
                   +1 :              -0.00010186953497
                   +2 :               0.00003420449147
              6 vec=    10.164004     -3.115567      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00007804776888
                2p
                   -1 :               0.00004966091710
                   +0 :               0.00001540492251
                   +1 :              -0.00013824070431
                3s
                   +0 :               0.00004688256748
                4s
                   +0 :              -0.00007632130876
                3p
                   -1 :              -0.00013350610355
                   +0 :              -0.00035931969517
                   +1 :               0.00062331720793
                4p
                   -1 :               0.00003500950272
                   +0 :               0.00011473690200
                   +1 :              -0.00022118039792
                3d
                   -2 :              -0.00001271916498
                   -1 :              -0.00005232509195
                   +0 :              -0.00014097323211
                   +1 :               0.00002992781915
                   +2 :              -0.00006988377817
              7 vec=     2.383842      1.376312    -14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00008693266049
                2p
                   -1 :              -0.00010915219918
                   +0 :               0.00002878137086
                   +1 :               0.00001533768337
                3s
                   +0 :               0.00007416354994
                4s
                   +0 :              -0.00000165434183
                3p
                   -1 :               0.00039593345987
                   +0 :               0.00001746333054
                   +1 :              -0.00045961826039
                4p
                   -1 :              -0.00010203832425
                   +0 :              -0.00003490476639
                   +1 :               0.00004177393632
                3d
                   -2 :               0.00010157010683
                   -1 :              -0.00003202763749
                   +0 :              -0.00007527352402
                   +1 :               0.00008089417606
                   +2 :               0.00006233013031
              8 vec=    10.164004      5.868191      9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00019614386510
                2p
                   -1 :               0.00006607169970
                   +0 :               0.00015073305488
                   +1 :               0.00010308517307
                3s
                   +0 :              -0.00073086348626
                4s
                   +0 :               0.00021719377013
                3p
                   -1 :              -0.00044563091782
                   +0 :              -0.00064840218470
                   +1 :              -0.00046649299990
                4p
                   -1 :               0.00014655433324
                   +0 :               0.00021736453318
                   +1 :               0.00008886133583
                3d
                   -2 :              -0.00008754481234
                   -1 :              -0.00010121518094
                   +0 :              -0.00000635593854
                   +1 :              -0.00018360880171
                   +2 :              -0.00006391140550
              9 vec=    -5.396321     -3.115567    -14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00008310869097
                2p
                   -1 :              -0.00002901797875
                   +0 :              -0.00000810888687
                   +1 :               0.00001922857592
                3s
                   +0 :              -0.00052885424922
                4s
                   +0 :               0.00006935719805
                3p
                   -1 :               0.00001709293548
                   +0 :              -0.00003686216117
                   +1 :              -0.00016542992148
                4p
                   -1 :               0.00000777661362
                   +0 :               0.00004560741684
                   +1 :               0.00003523150131
                3d
                   -2 :              -0.00000077704208
                   -1 :               0.00000004444630
                   +0 :              -0.00001558768856
                   +1 :               0.00003598565705
                   +2 :              -0.00002460623871
             10 vec=   -13.176483      1.376312      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00005891466871
                2p
                   -1 :               0.00001698708912
                   +0 :               0.00000309507982
                   +1 :               0.00003989803658
                3s
                   +0 :               0.00034912888845
                4s
                   +0 :              -0.00008380688147
                3p
                   -1 :              -0.00005513962072
                   +0 :               0.00003980110323
                   +1 :              -0.00012964926093
                4p
                   -1 :               0.00003783215412
                   +0 :               0.00001247443775
                   +1 :               0.00005253974195
                3d
                   -2 :              -0.00001408537442
                   -1 :               0.00003059967501
                   +0 :               0.00003082254490
                   +1 :              -0.00003230462845
                   +2 :              -0.00000749412648
             11 vec=    -5.396321    -12.099325      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00008098756940
                2p
                   -1 :               0.00004396761245
                   +0 :               0.00000029264822
                   +1 :               0.00004192941486
                3s
                   +0 :               0.00046205456263
                4s
                   +0 :              -0.00015072601863
                3p
                   -1 :              -0.00024881352460
                   +0 :               0.00001665391752
                   +1 :              -0.00022936613471
                4p
                   -1 :               0.00008556903109
                   +0 :              -0.00000365624864
                   +1 :               0.00008481124042
                3d
                   -2 :              -0.00002736689350
                   -1 :               0.00003865535294
                   +0 :              -0.00001550628543
                   +1 :              -0.00001198024968
                   +2 :              -0.00000195402286
             12 vec=    -5.396321      5.868191    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00016678313976
                2p
                   -1 :              -0.00002100207872
                   +0 :              -0.00001151797836
                   +1 :              -0.00004014109823
                3s
                   +0 :              -0.00100258283453
                4s
                   +0 :               0.00019744773324
                3p
                   -1 :              -0.00013697973483
                   +0 :               0.00008054791848
                   +1 :               0.00016455926392
                4p
                   -1 :              -0.00000467484053
                   +0 :               0.00000629865662
                   +1 :              -0.00004192326559
                3d
                   -2 :              -0.00000202557988
                   -1 :               0.00002786998551
                   +0 :               0.00012598229730
                   +1 :               0.00000351765289
                   +2 :               0.00012879430301
             13 vec=     2.383842     -7.607446    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00008929821247
                2p
                   -1 :              -0.00000849693665
                   +0 :               0.00000085757547
                   +1 :              -0.00000525258732
                3s
                   +0 :              -0.00067989419648
                4s
                   +0 :               0.00008867587458
                3p
                   -1 :               0.00008108992285
                   +0 :               0.00001660690205
                   +1 :               0.00003603528679
                4p
                   -1 :               0.00001490513661
                   +0 :               0.00000556257991
                   +1 :               0.00000362623586
                3d
                   -2 :              -0.00001472415001
                   -1 :               0.00003438797608
                   +0 :               0.00012033141125
                   +1 :               0.00001236009812
                   +2 :              -0.00011403186776
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Cr(  3)  npairs=  14
              1 vec=     2.383842      1.376312     -2.510723   |vec|=    3.725676
                3s
                   +0 :               0.04046374992050
                3p
                   -1 :               0.02744962509100
                   +0 :              -0.04235312087454
                   +1 :               0.05383689660450
                4s
                   +0 :               0.04153976020135
                5s
                   +0 :               0.00359480397572
                3d
                   -2 :               0.03293894166672
                   -1 :              -0.02030849516409
                   +0 :              -0.01857533291063
                   +1 :              -0.03551723171685
                   +2 :               0.02224291406262
                4d
                   -2 :               0.00820168665098
                   -1 :              -0.00192750254305
                   +0 :              -0.00269209653752
                   +1 :              -0.00516412519707
                   +2 :               0.00340915417045
                4p
                   -1 :               0.01291301029602
                   +0 :              -0.00760829062827
                   +1 :               0.01666777945079
              2 vec=    -5.396321     -3.115567     -2.510723   |vec|=    6.717944
                3s
                   +0 :              -0.00159936151191
                3p
                   -1 :               0.00032101254854
                   +0 :               0.00072574546242
                   +1 :               0.00186190983269
                4s
                   +0 :               0.00313918423790
                5s
                   +0 :              -0.00152842610803
                3d
                   -2 :               0.00055991607401
                   -1 :              -0.00044662740907
                   +0 :               0.00192986208885
                   +1 :              -0.00136846164056
                   +2 :               0.00082366234987
                4d
                   -2 :               0.00109233624295
                   -1 :               0.00061615183425
                   +0 :               0.00081901592209
                   +1 :               0.00143544508289
                   +2 :               0.00020255635222
                4p
                   -1 :               0.00018390771320
                   +0 :              -0.00037386957623
                   +1 :              -0.00126265213574
              3 vec=    -5.396321      5.868191     -2.510723   |vec|=    8.358210
                3s
                   +0 :               0.00040620742896
                3p
                   -1 :              -0.00050577717933
                   +0 :              -0.00016206927966
                   +1 :              -0.00036330012936
                4s
                   +0 :              -0.00097791170291
                5s
                   +0 :               0.00040572970513
                3d
                   -2 :               0.00119387825103
                   -1 :               0.00042636377324
                   +0 :               0.00060005083687
                   +1 :              -0.00066055582388
                   +2 :              -0.00010792218969
                4d
                   -2 :              -0.00040620759447
                   -1 :               0.00012910378501
                   +0 :              -0.00037873487920
                   +1 :              -0.00068131506936
                   +2 :              -0.00098526273484
                4p
                   -1 :               0.00062203565233
                   +0 :               0.00079075838971
                   +1 :               0.00077449950565
              4 vec=     2.383842     -7.607446     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00014878217243
                3p
                   -1 :               0.00068192428993
                   +0 :               0.00023621835949
                   +1 :              -0.00011397840122
                4s
                   +0 :              -0.00187587963039
                5s
                   +0 :               0.00072888921240
                3d
                   -2 :              -0.00104983410775
                   -1 :              -0.00043407784695
                   +0 :              -0.00021214010992
                   +1 :              -0.00100938225381
                   +2 :               0.00004868780961
                4d
                   -2 :               0.00024788464600
                   -1 :              -0.00156896797637
                   +0 :              -0.00000891382256
                   +1 :               0.00069956491742
                   +2 :               0.00096406465013
                4p
                   -1 :              -0.00010033012728
                   +0 :               0.00145417505322
                   +1 :               0.00072050287745
              5 vec=     2.383842     10.360070     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00065253412423
                3p
                   -1 :               0.00055411738286
                   +0 :               0.00033521617879
                   +1 :               0.00024090880952
                4s
                   +0 :              -0.00017257896400
                5s
                   +0 :              -0.00003133221342
                3d
                   -2 :              -0.00024704678859
                   -1 :               0.00095356687204
                   +0 :              -0.00024494428454
                   +1 :               0.00024439430406
                   +2 :              -0.00064751186145
                4d
                   -2 :              -0.00017803839829
                   -1 :              -0.00035938893065
                   +0 :              -0.00000822836874
                   +1 :              -0.00029011099523
                   +2 :               0.00016558801323
                4p
                   -1 :              -0.00021813708777
                   +0 :              -0.00053945601785
                   +1 :              -0.00045480504659
              6 vec=    10.164004     -3.115567     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00005447171623
                3p
                   -1 :              -0.00009475934005
                   +0 :              -0.00012454816831
                   +1 :              -0.00006955735495
                4s
                   +0 :               0.00052879908790
                5s
                   +0 :              -0.00016214496365
                3d
                   -2 :              -0.00012095965999
                   -1 :              -0.00038777857784
                   +0 :              -0.00009070732694
                   +1 :               0.00012926680879
                   +2 :              -0.00046511272486
                4d
                   -2 :              -0.00038807648767
                   -1 :              -0.00007803384726
                   +0 :              -0.00006141428419
                   +1 :               0.00008816011967
                   +2 :               0.00015319960580
                4p
                   -1 :              -0.00021767475209
                   +0 :               0.00018475339882
                   +1 :               0.00047440106481
              7 vec=    10.164004      5.868191     -2.510723   |vec|=   12.001932
                3s
                   +0 :               0.00007653836433
                3p
                   -1 :              -0.00038084919621
                   +0 :               0.00001121053107
                   +1 :               0.00001644466009
                4s
                   +0 :              -0.00141352588386
                5s
                   +0 :               0.00034049502378
                3d
                   -2 :              -0.00017282218208
                   -1 :              -0.00018710401131
                   +0 :               0.00020791953855
                   +1 :              -0.00003608127039
                   +2 :               0.00032180621194
                4d
                   -2 :              -0.00003555242340
                   -1 :              -0.00009995197358
                   +0 :               0.00006095407028
                   +1 :              -0.00022754865559
                   +2 :              -0.00061600371520
                4p
                   -1 :               0.00019722517433
                   +0 :              -0.00059016054813
                   +1 :              -0.00043849030658
              8 vec=   -13.176483      1.376312     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00022132842355
                3p
                   -1 :              -0.00000649963580
                   +0 :               0.00014066806451
                   +1 :              -0.00014165548139
                4s
                   +0 :              -0.00028583178127
                5s
                   +0 :              -0.00001128038236
                3d
                   -2 :               0.00038728981531
                   -1 :               0.00003335750697
                   +0 :              -0.00005538296406
                   +1 :              -0.00064991922202
                   +2 :              -0.00003331066665
                4d
                   -2 :               0.00004417819748
                   -1 :               0.00002358218215
                   +0 :              -0.00004207020666
                   +1 :               0.00009046973369
                   +2 :               0.00003373814538
                4p
                   -1 :              -0.00017573136083
                   +0 :               0.00000945405211
                   +1 :               0.00009675579529
              9 vec=    -5.396321    -12.099325     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00007526207235
                3p
                   -1 :               0.00009345311916
                   +0 :              -0.00000627032596
                   +1 :              -0.00000923769658
                4s
                   +0 :              -0.00014233808720
                5s
                   +0 :               0.00000673286065
                3d
                   -2 :              -0.00004665486275
                   -1 :              -0.00027747559596
                   +0 :              -0.00007182988631
                   +1 :              -0.00014731935307
                   +2 :               0.00038801857155
                4d
                   -2 :               0.00016292543048
                   -1 :              -0.00015094841791
                   +0 :              -0.00003948401953
                   +1 :              -0.00001328447756
                   +2 :              -0.00001319610431
                4p
                   -1 :              -0.00010371438085
                   +0 :               0.00028046527869
                   +1 :              -0.00017476721309
             10 vec=   -13.176483     -7.607446     -2.510723   |vec|=   15.420658
                3s
                   +0 :               0.00007656522832
                3p
                   -1 :              -0.00004764447530
                   +0 :              -0.00001346195918
                   +1 :               0.00001746790142
                4s
                   +0 :              -0.00013665871094
                5s
                   +0 :               0.00000461919629
                3d
                   -2 :               0.00010450469471
                   -1 :              -0.00009257078597
                   +0 :               0.00001417581413
                   +1 :              -0.00007573491858
                   +2 :               0.00000361282207
                4d
                   -2 :               0.00001047551037
                   -1 :               0.00000334778578
                   +0 :               0.00002177961052
                   +1 :              -0.00005480949546
                   +2 :               0.00005279666692
                4p
                   -1 :               0.00008442921786
                   +0 :               0.00012099143824
                   +1 :              -0.00006412208828
             11 vec=    -5.396321     14.851949     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00004585554960
                3p
                   -1 :              -0.00001518412980
                   +0 :              -0.00006096489879
                   +1 :              -0.00002839473882
                4s
                   +0 :               0.00043402008499
                5s
                   +0 :              -0.00006110199593
                3d
                   -2 :               0.00012305015102
                   -1 :               0.00014204942220
                   +0 :               0.00002609479583
                   +1 :               0.00008697075293
                   +2 :              -0.00008315219181
                4d
                   -2 :              -0.00002230889783
                   -1 :               0.00005966531206
                   +0 :               0.00001064431554
                   +1 :              -0.00001351624789
                   +2 :              -0.00007375296014
                4p
                   -1 :               0.00018420863772
                   +0 :               0.00014561789856
                   +1 :               0.00008831837063
             12 vec=    10.164004    -12.099325     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00002204601364
                3p
                   -1 :               0.00000163344581
                   +0 :               0.00001789534290
                   +1 :               0.00000151365520
                4s
                   +0 :               0.00025106279810
                5s
                   +0 :              -0.00002952566339
                3d
                   -2 :              -0.00008077029636
                   -1 :              -0.00002849068241
                   +0 :               0.00008809390399
                   +1 :               0.00020173381932
                   +2 :               0.00012022699506
                4d
                   -2 :              -0.00003739169009
                   -1 :              -0.00003925329970
                   +0 :              -0.00001367071034
                   +1 :               0.00003080146890
                   +2 :               0.00000850826558
                4p
                   -1 :              -0.00005001344901
                   +0 :              -0.00000067810486
                   +1 :               0.00009561908150
             13 vec=   -13.176483     10.360070     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00000557738466
                3p
                   -1 :               0.00001832020686
                   +0 :               0.00004406464286
                   +1 :               0.00000319290197
                4s
                   +0 :               0.00008531215460
                5s
                   +0 :               0.00000143795570
                3d
                   -2 :               0.00009170562907
                   -1 :               0.00003738603632
                   +0 :              -0.00003033989021
                   +1 :              -0.00011719581885
                   +2 :              -0.00005298705856
                4d
                   -2 :               0.00001452948036
                   -1 :               0.00001095779556
                   +0 :               0.00003034599240
                   +1 :              -0.00000583830832
                   +2 :              -0.00000050223034
                4p
                   -1 :              -0.00002843815761
                   +0 :              -0.00001581016186
                   +1 :              -0.00002310588213
             14 vec=     2.383842    -16.591204     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00002029619454
                3p
                   -1 :              -0.00003809398822
                   +0 :               0.00000327193686
                   +1 :               0.00000285147878
                4s
                   +0 :               0.00007108527924
                5s
                   +0 :              -0.00001473022507
                3d
                   -2 :              -0.00004413903710
                   -1 :              -0.00011631042763
                   +0 :              -0.00002292197885
                   +1 :               0.00004162638755
                   +2 :               0.00008916926430
                4d
                   -2 :               0.00001611314038
                   -1 :              -0.00001794877699
                   +0 :               0.00001110127507
                   +1 :              -0.00001536745832
                   +2 :              -0.00001522940746
                4p
                   -1 :               0.00002928518287
                   +0 :               0.00006678772148
                   +1 :              -0.00001429980982
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al(  4)  npairs=  13
              1 vec=     2.383842      1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00032579685950
                2p
                   -1 :              -0.00006405870180
                   +0 :              -0.00028291481364
                   +1 :              -0.00043976297578
                3s
                   +0 :              -0.00031208937369
                4s
                   +0 :               0.00031017795251
                3p
                   -1 :               0.00032464863093
                   +0 :               0.00268094014449
                   +1 :               0.00137893760539
                4p
                   -1 :              -0.00004111887610
                   +0 :              -0.00090682876392
                   +1 :              -0.00017802271767
                3d
                   -2 :              -0.00008490392548
                   -1 :               0.00027047655855
                   +0 :              -0.00054564927903
                   +1 :               0.00050968922664
                   +2 :              -0.00005146034831
              2 vec=    -5.396321     -3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00078474918269
                2p
                   -1 :              -0.00008109922408
                   +0 :              -0.00017123430048
                   +1 :              -0.00005276807025
                3s
                   +0 :              -0.00302983484579
                4s
                   +0 :               0.00110009540222
                3p
                   -1 :               0.00052408037379
                   +0 :               0.00127849998309
                   +1 :               0.00021972225346
                4p
                   -1 :              -0.00022624631739
                   +0 :              -0.00044017697981
                   +1 :               0.00001517949473
                3d
                   -2 :               0.00027495908482
                   -1 :               0.00002686310533
                   +0 :              -0.00013275401269
                   +1 :              -0.00005818736583
                   +2 :               0.00012754101726
              3 vec=    -5.396321      5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00023722779205
                2p
                   -1 :              -0.00006958108679
                   +0 :               0.00004765629378
                   +1 :              -0.00004595922608
                3s
                   +0 :              -0.00325350248666
                4s
                   +0 :               0.00005707238036
                3p
                   -1 :              -0.00072483618023
                   +0 :              -0.00008168937742
                   +1 :               0.00167437399405
                4p
                   -1 :              -0.00022894647292
                   +0 :               0.00009013865884
                   +1 :               0.00001304215758
                3d
                   -2 :               0.00049683655462
                   -1 :               0.00006090385272
                   +0 :               0.00042244375692
                   +1 :               0.00010357785358
                   +2 :              -0.00020975431638
              4 vec=     2.383842     -7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00005409093046
                2p
                   -1 :               0.00027104871181
                   +0 :               0.00011963588653
                   +1 :              -0.00003361308078
                3s
                   +0 :              -0.00297203503837
                4s
                   +0 :               0.00012510063674
                3p
                   -1 :               0.00143215887008
                   +0 :              -0.00003486343032
                   +1 :               0.00070633905121
                4p
                   -1 :               0.00014237461319
                   +0 :              -0.00004829639424
                   +1 :              -0.00005181875257
                3d
                   -2 :              -0.00038258449540
                   -1 :               0.00012444889046
                   +0 :               0.00047510492307
                   +1 :              -0.00013608653697
                   +2 :               0.00058358587014
              5 vec=     2.383842     10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00013147176825
                2p
                   -1 :               0.00016888433409
                   +0 :              -0.00003191899533
                   +1 :              -0.00006189919451
                3s
                   +0 :              -0.00032551441651
                4s
                   +0 :               0.00013771057809
                3p
                   -1 :              -0.00082831584706
                   +0 :               0.00005419901853
                   +1 :               0.00004943285234
                4p
                   -1 :               0.00019983873676
                   +0 :              -0.00001392487355
                   +1 :              -0.00003352119935
                3d
                   -2 :               0.00007066391765
                   -1 :               0.00010174572190
                   +0 :               0.00006034056233
                   +1 :              -0.00006420839847
                   +2 :               0.00006493056796
              6 vec=    10.164004     -3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00000000679858
                2p
                   -1 :              -0.00009207823132
                   +0 :              -0.00001932986726
                   +1 :              -0.00004150226480
                3s
                   +0 :               0.00044968651748
                4s
                   +0 :              -0.00011208492240
                3p
                   -1 :               0.00020743208231
                   +0 :               0.00014275025733
                   +1 :               0.00021063084978
                4p
                   -1 :              -0.00004227108040
                   +0 :              -0.00000146189787
                   +1 :              -0.00010386084523
                3d
                   -2 :               0.00010930469357
                   -1 :              -0.00003716968268
                   +0 :              -0.00008403702362
                   +1 :               0.00007632342106
                   +2 :               0.00005987674085
              7 vec=     2.383842      1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00003131742879
                2p
                   -1 :              -0.00009085187828
                   +0 :               0.00001882025604
                   +1 :               0.00011024273297
                3s
                   +0 :               0.00021727793908
                4s
                   +0 :              -0.00006163358789
                3p
                   -1 :               0.00042016533800
                   +0 :               0.00013887978691
                   +1 :              -0.00067112619102
                4p
                   -1 :              -0.00014172949537
                   +0 :              -0.00006593901544
                   +1 :               0.00012351126936
                3d
                   -2 :              -0.00000110006584
                   -1 :               0.00000455843810
                   +0 :               0.00004163727142
                   +1 :              -0.00012405836655
                   +2 :               0.00002552147795
              8 vec=    10.164004      5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00044672380857
                2p
                   -1 :               0.00002165599716
                   +0 :               0.00010171513926
                   +1 :              -0.00014756405545
                3s
                   +0 :               0.00430719585340
                4s
                   +0 :              -0.00042262257867
                3p
                   -1 :               0.00029978747520
                   +0 :              -0.00040492075270
                   +1 :               0.00222154589636
                4p
                   -1 :               0.00008962676717
                   +0 :               0.00029322895680
                   +1 :              -0.00015489240965
                3d
                   -2 :               0.00024986511024
                   -1 :               0.00015455692583
                   +0 :              -0.00041677979430
                   +1 :               0.00003965935654
                   +2 :               0.00053325404352
              9 vec=    -5.396321     -3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00005261409918
                2p
                   -1 :              -0.00002638216443
                   +0 :               0.00000097040483
                   +1 :               0.00000180768652
                3s
                   +0 :               0.00036631249975
                4s
                   +0 :              -0.00003964883624
                3p
                   -1 :               0.00016892684742
                   +0 :              -0.00007496479876
                   +1 :               0.00024810658861
                4p
                   -1 :              -0.00002001023512
                   +0 :               0.00005740293244
                   +1 :              -0.00005627476055
                3d
                   -2 :               0.00001596705598
                   -1 :               0.00005937900620
                   +0 :               0.00001250197658
                   +1 :               0.00005795075611
                   +2 :              -0.00000614234285
             10 vec=   -13.176483      1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00011131985271
                2p
                   -1 :               0.00000979785311
                   +0 :               0.00000103311851
                   +1 :              -0.00006745958815
                3s
                   +0 :              -0.00059319565461
                4s
                   +0 :               0.00014057332894
                3p
                   -1 :               0.00000220209119
                   +0 :              -0.00001243300083
                   +1 :               0.00036591572172
                4p
                   -1 :              -0.00001715317865
                   +0 :               0.00000047673117
                   +1 :              -0.00009791209980
                3d
                   -2 :               0.00002581043614
                   -1 :              -0.00001290249824
                   +0 :               0.00000451549504
                   +1 :               0.00002379701074
                   +2 :               0.00000848208014
             11 vec=    -5.396321    -12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00008083643455
                2p
                   -1 :              -0.00001335398072
                   +0 :               0.00000180197994
                   +1 :               0.00001002001529
                3s
                   +0 :              -0.00052651402933
                4s
                   +0 :               0.00009259398188
                3p
                   -1 :               0.00011520099680
                   +0 :               0.00006447479164
                   +1 :              -0.00008850529973
                4p
                   -1 :              -0.00001349898798
                   +0 :              -0.00000830477578
                   +1 :               0.00000769840265
                3d
                   -2 :               0.00004256600774
                   -1 :              -0.00004110188058
                   +0 :              -0.00002195171832
                   +1 :               0.00004114022972
                   +2 :               0.00001859892394
             12 vec=    -5.396321      5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00002513581320
                2p
                   -1 :               0.00001944073441
                   +0 :               0.00001243132696
                   +1 :              -0.00000776419958
                3s
                   +0 :               0.00047395484682
                4s
                   +0 :              -0.00006381102264
                3p
                   -1 :               0.00019940184089
                   +0 :               0.00005687984744
                   +1 :               0.00008987429490
                4p
                   -1 :               0.00000618760474
                   +0 :              -0.00001059609070
                   +1 :              -0.00004153549692
                3d
                   -2 :               0.00007642743886
                   -1 :               0.00004046591121
                   +0 :              -0.00007329302695
                   +1 :               0.00004768375187
                   +2 :              -0.00007418938512
             13 vec=     2.383842     -7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00015169126140
                2p
                   -1 :               0.00003416149158
                   +0 :              -0.00003079400713
                   +1 :               0.00003080498724
                3s
                   +0 :               0.00081415102300
                4s
                   +0 :              -0.00019432311286
                3p
                   -1 :              -0.00031725263571
                   +0 :               0.00023672407322
                   +1 :               0.00025409584915
                4p
                   -1 :               0.00007395420688
                   +0 :              -0.00003893826767
                   +1 :               0.00000360735632
                3d
                   -2 :              -0.00015701850319
                   -1 :              -0.00003850730464
                   +0 :              -0.00006149762304
                   +1 :               0.00006845244965
                   +2 :               0.00003551430293
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al(  5)  npairs=  15
              1 vec=    -0.209546     -3.115567     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00076875976841
                2p
                   -1 :              -0.00045737714425
                   +0 :               0.00043192841598
                   +1 :              -0.00013439817200
                3s
                   +0 :              -0.00032083677187
                4s
                   +0 :               0.00015330990036
                3p
                   -1 :               0.00341747974290
                   +0 :              -0.00060326523614
                   +1 :               0.00005996522075
                4p
                   -1 :              -0.00062154553272
                   +0 :               0.00014809359068
                   +1 :               0.00012483199769
                3d
                   -2 :               0.00013582511510
                   -1 :               0.00045000805459
                   +0 :               0.00016373430275
                   +1 :              -0.00001932931802
                   +2 :               0.00015929017670
              2 vec=    -0.209546      5.868191     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00002615539879
                2p
                   -1 :              -0.00000407233183
                   +0 :               0.00006087329640
                   +1 :              -0.00011373686217
                3s
                   +0 :               0.00033996375676
                4s
                   +0 :              -0.00010035635450
                3p
                   -1 :               0.00039980013017
                   +0 :              -0.00048301426525
                   +1 :               0.00097855520679
                4p
                   -1 :              -0.00001004824450
                   +0 :              -0.00001721975447
                   +1 :              -0.00002305947365
                3d
                   -2 :               0.00032064051281
                   -1 :              -0.00023601763998
                   +0 :              -0.00046415519052
                   +1 :               0.00024285720205
                   +2 :               0.00056480578426
              3 vec=     7.570617      1.376312     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00019994044289
                2p
                   -1 :               0.00015019921108
                   +0 :              -0.00000346686937
                   +1 :               0.00005290887139
                3s
                   +0 :               0.00216720504180
                4s
                   +0 :              -0.00022288039514
                3p
                   -1 :              -0.00017897136587
                   +0 :               0.00120356474833
                   +1 :               0.00118396234049
                4p
                   -1 :               0.00019268584390
                   +0 :              -0.00006984586176
                   +1 :              -0.00007696648296
                3d
                   -2 :               0.00013985125622
                   -1 :               0.00004535514914
                   +0 :               0.00022521246648
                   +1 :               0.00037172853266
                   +2 :               0.00012028073526
              4 vec=    -7.989708      1.376312     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00044580719808
                2p
                   -1 :               0.00002056544742
                   +0 :              -0.00001667230345
                   +1 :               0.00006239551623
                3s
                   +0 :               0.00444248568678
                4s
                   +0 :              -0.00076102724224
                3p
                   -1 :               0.00079918474168
                   +0 :               0.00176240043609
                   +1 :              -0.00219818281765
                4p
                   -1 :               0.00006254534063
                   +0 :              -0.00015340663342
                   +1 :               0.00026921912848
                3d
                   -2 :              -0.00040811603408
                   -1 :               0.00036061880457
                   +0 :               0.00030307894308
                   +1 :              -0.00059552669660
                   +2 :               0.00036213185380
              5 vec=    -0.209546     -3.115567    -13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00002825493485
                2p
                   -1 :               0.00010219203306
                   +0 :              -0.00001507668735
                   +1 :              -0.00010757140134
                3s
                   +0 :              -0.00030031336972
                4s
                   +0 :               0.00018198218759
                3p
                   -1 :              -0.00066518695325
                   +0 :               0.00005202000425
                   +1 :               0.00037168003989
                4p
                   -1 :               0.00011867612806
                   +0 :              -0.00006072087097
                   +1 :              -0.00010679203749
                3d
                   -2 :              -0.00002979230737
                   -1 :               0.00009650482827
                   +0 :               0.00001176385579
                   +1 :              -0.00010682189234
                   +2 :              -0.00001661462007
              6 vec=    -0.209546      5.868191    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00020456372431
                2p
                   -1 :               0.00018513402008
                   +0 :              -0.00006772014247
                   +1 :               0.00003477724623
                3s
                   +0 :              -0.00084855854136
                4s
                   +0 :               0.00018738634484
                3p
                   -1 :              -0.00074594602689
                   +0 :               0.00041455562395
                   +1 :              -0.00036100737543
                4p
                   -1 :               0.00009902820843
                   +0 :              -0.00012227209986
                   +1 :               0.00011441333545
                3d
                   -2 :               0.00001648812258
                   -1 :               0.00007952935156
                   +0 :               0.00001754169895
                   +1 :              -0.00000273408654
                   +2 :               0.00010974666171
              7 vec=     7.570617     -7.607446     10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00010323924032
                2p
                   -1 :              -0.00006550167601
                   +0 :               0.00005144012235
                   +1 :               0.00001358072715
                3s
                   +0 :              -0.00079348465386
                4s
                   +0 :               0.00018180741024
                3p
                   -1 :               0.00053749116414
                   +0 :              -0.00051878398785
                   +1 :              -0.00020886921306
                4p
                   -1 :              -0.00009123821317
                   +0 :               0.00009573523976
                   +1 :               0.00008970890256
                3d
                   -2 :               0.00008172202405
                   -1 :               0.00010641595914
                   +0 :               0.00002071039493
                   +1 :              -0.00007758470439
                   +2 :               0.00003217103771
              8 vec=    -7.989708     -7.607446     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00016202599959
                2p
                   -1 :               0.00004876047466
                   +0 :               0.00000410623596
                   +1 :              -0.00001240907088
                3s
                   +0 :               0.00068774680461
                4s
                   +0 :              -0.00004548082749
                3p
                   -1 :              -0.00028811328337
                   +0 :              -0.00007357465960
                   +1 :               0.00016295892857
                4p
                   -1 :               0.00002438559416
                   +0 :               0.00008845003103
                   +1 :              -0.00007256659087
                3d
                   -2 :              -0.00005238789046
                   -1 :              -0.00002109340772
                   +0 :               0.00001041657225
                   +1 :               0.00002480721630
                   +2 :              -0.00006331668164
              9 vec=     7.570617      1.376312    -13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00011576807185
                2p
                   -1 :               0.00005551398839
                   +0 :               0.00003548008706
                   +1 :              -0.00003697983585
                3s
                   +0 :               0.00068628657322
                4s
                   +0 :              -0.00016768592315
                3p
                   -1 :              -0.00028253956987
                   +0 :              -0.00028780576617
                   +1 :              -0.00013490325624
                4p
                   -1 :               0.00006108698325
                   +0 :               0.00008222817301
                   +1 :               0.00000443600309
                3d
                   -2 :               0.00002241387826
                   -1 :               0.00006805492510
                   +0 :              -0.00000233563270
                   +1 :              -0.00000766727627
                   +2 :               0.00002424354480
             10 vec=    -7.989708      1.376312    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00000864997042
                2p
                   -1 :               0.00004478508741
                   +0 :               0.00000311912691
                   +1 :               0.00002126271122
                3s
                   +0 :              -0.00091176093746
                4s
                   +0 :               0.00008584608540
                3p
                   -1 :               0.00009818788958
                   +0 :               0.00025902526207
                   +1 :               0.00034415409533
                4p
                   -1 :               0.00005434856039
                   +0 :              -0.00011200616615
                   +1 :               0.00001692014167
                3d
                   -2 :              -0.00008117736773
                   -1 :               0.00003462557945
                   +0 :               0.00001094657520
                   +1 :              -0.00000412142512
                   +2 :              -0.00008770093395
             11 vec=    -0.209546    -12.099325     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00022082021268
                2p
                   -1 :              -0.00008986458646
                   +0 :               0.00008099850393
                   +1 :              -0.00001398428032
                3s
                   +0 :              -0.00064100449868
                4s
                   +0 :               0.00032493087677
                3p
                   -1 :               0.00036799006544
                   +0 :              -0.00031530695851
                   +1 :               0.00006646415276
                4p
                   -1 :              -0.00010873308631
                   +0 :               0.00014592236071
                   +1 :              -0.00000454089618
                3d
                   -2 :              -0.00001732380700
                   -1 :               0.00004612016769
                   +0 :              -0.00001241230663
                   +1 :               0.00000716688593
                   +2 :               0.00003268216241
             12 vec=     7.570617     10.360070     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00016284453423
                2p
                   -1 :               0.00005134388673
                   +0 :               0.00005399497317
                   +1 :               0.00001185547858
                3s
                   +0 :              -0.00107234510242
                4s
                   +0 :               0.00020767327354
                3p
                   -1 :              -0.00044244494455
                   +0 :              -0.00050961153367
                   +1 :              -0.00033156389872
                4p
                   -1 :               0.00006975494803
                   +0 :               0.00007943320382
                   +1 :               0.00004744739739
                3d
                   -2 :              -0.00006265286711
                   -1 :              -0.00010555284725
                   +0 :              -0.00007331435767
                   +1 :              -0.00009991116088
                   +2 :               0.00004411118146
             13 vec=    -7.989708     10.360070     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00000780597028
                2p
                   -1 :               0.00000597641722
                   +0 :               0.00000182864145
                   +1 :              -0.00000413663789
                3s
                   +0 :              -0.00004274746615
                4s
                   +0 :               0.00002524736170
                3p
                   -1 :              -0.00011683198811
                   +0 :              -0.00005897767128
                   +1 :               0.00009499631286
                4p
                   -1 :               0.00003810808936
                   +0 :               0.00001723704736
                   +1 :              -0.00002711976833
                3d
                   -2 :               0.00003438636101
                   -1 :              -0.00003322070971
                   +0 :               0.00001146695215
                   +1 :              -0.00000027688923
                   +2 :               0.00000208974663
             14 vec=     7.570617     -7.607446    -13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00002883805427
                2p
                   -1 :               0.00002252771078
                   +0 :               0.00000589978191
                   +1 :              -0.00002299729732
                3s
                   +0 :              -0.00093331884352
                4s
                   +0 :               0.00002474813785
                3p
                   -1 :               0.00009430767042
                   +0 :               0.00014159130104
                   +1 :              -0.00053968155114
                4p
                   -1 :               0.00003635733278
                   +0 :              -0.00002316533059
                   +1 :              -0.00000971951471
                3d
                   -2 :               0.00010747814809
                   -1 :              -0.00000004922972
                   +0 :               0.00009562190450
                   +1 :               0.00004591555534
                   +2 :              -0.00011853185030
             15 vec=    -7.989708     -7.607446    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00002254779531
                2p
                   -1 :               0.00000376197278
                   +0 :              -0.00000215283722
                   +1 :              -0.00000164588083
                3s
                   +0 :              -0.00043308398574
                4s
                   +0 :               0.00005789325097
                3p
                   -1 :               0.00014816621367
                   +0 :               0.00010238291025
                   +1 :               0.00015612203285
                4p
                   -1 :              -0.00000245974967
                   +0 :              -0.00002742846342
                   +1 :              -0.00001345403360
                3d
                   -2 :              -0.00003957508827
                   -1 :              -0.00003247964278
                   +0 :               0.00002051722998
                   +1 :              -0.00002425022847
                   +2 :               0.00001786704827
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al(  6)  npairs=  13
              1 vec=    -0.209546     -3.115567     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00286107922839
                2p
                   -1 :              -0.00160198252834
                   +0 :              -0.00182034920104
                   +1 :              -0.00001520608077
                3s
                   +0 :              -0.01519188076722
                4s
                   +0 :               0.00390160829143
                3p
                   -1 :               0.00408540158724
                   +0 :               0.00510590124530
                   +1 :               0.00179553064304
                4p
                   -1 :              -0.00122969001457
                   +0 :              -0.00252993272005
                   +1 :              -0.00011021153416
                3d
                   -2 :               0.00040861982208
                   -1 :               0.00195636456155
                   +0 :               0.00119453913227
                   +1 :              -0.00085392415845
                   +2 :              -0.00317240260790
              2 vec=    -0.209546      5.868191     -6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00001001033834
                2p
                   -1 :              -0.00044763535400
                   +0 :               0.00044109607667
                   +1 :               0.00040628177153
                3s
                   +0 :              -0.00915633656876
                4s
                   +0 :              -0.00133120124253
                3p
                   -1 :              -0.00526992230936
                   +0 :               0.00342462544900
                   +1 :              -0.00420451422721
                4p
                   -1 :              -0.00098009636831
                   +0 :               0.00131394697425
                   +1 :               0.00073540111377
                3d
                   -2 :              -0.00112286307465
                   -1 :               0.00285501671979
                   +0 :               0.00001092314666
                   +1 :               0.00111710492979
                   +2 :               0.00180654250389
              3 vec=     7.570617      1.376312     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00119791449206
                2p
                   -1 :               0.00044503508021
                   +0 :               0.00021350579242
                   +1 :               0.00014593995418
                3s
                   +0 :               0.00954806573777
                4s
                   +0 :               0.00030484360629
                3p
                   -1 :              -0.00634030925679
                   +0 :              -0.00412817583532
                   +1 :               0.00011230407040
                4p
                   -1 :               0.00053611460022
                   +0 :              -0.00028488966599
                   +1 :               0.00061291732074
                3d
                   -2 :              -0.00140092703052
                   -1 :               0.00189391885676
                   +0 :              -0.00017504273642
                   +1 :              -0.00002808859654
                   +2 :              -0.00176598442964
              4 vec=    -7.989708      1.376312     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00015182070091
                2p
                   -1 :              -0.00003261228861
                   +0 :               0.00022509992910
                   +1 :              -0.00009903911168
                3s
                   +0 :              -0.00224792780278
                4s
                   +0 :               0.00036987607475
                3p
                   -1 :               0.00047048913045
                   +0 :              -0.00093853220792
                   +1 :               0.00156719363291
                4p
                   -1 :              -0.00001343345897
                   +0 :               0.00040591600208
                   +1 :              -0.00051270739997
                3d
                   -2 :               0.00002083105643
                   -1 :              -0.00024189482800
                   +0 :              -0.00032016938146
                   +1 :              -0.00007884217062
                   +2 :              -0.00026577510436
              5 vec=     7.570617     -7.607446     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00001904870207
                2p
                   -1 :               0.00005592125274
                   +0 :              -0.00004527455570
                   +1 :              -0.00004011790754
                3s
                   +0 :              -0.00008061891359
                4s
                   +0 :              -0.00024731111543
                3p
                   -1 :              -0.00067636670282
                   +0 :               0.00034715260358
                   +1 :               0.00035349983117
                4p
                   -1 :               0.00024542437170
                   +0 :               0.00008664551190
                   +1 :              -0.00017314330724
                3d
                   -2 :              -0.00017726890798
                   -1 :              -0.00002682014373
                   +0 :              -0.00031606934736
                   +1 :               0.00008856243634
                   +2 :              -0.00011522326515
              6 vec=    -7.989708     -7.607446     -6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00003495628732
                2p
                   -1 :              -0.00000900447334
                   +0 :              -0.00006023537504
                   +1 :               0.00000122039666
                3s
                   +0 :              -0.00046769359862
                4s
                   +0 :               0.00023085603372
                3p
                   -1 :               0.00006037743996
                   +0 :               0.00041341856828
                   +1 :               0.00008162525445
                4p
                   -1 :              -0.00009828168326
                   +0 :              -0.00014015611265
                   +1 :              -0.00003544598287
                3d
                   -2 :               0.00002487330360
                   -1 :              -0.00009599159206
                   +0 :              -0.00016375290015
                   +1 :              -0.00002147382462
                   +2 :               0.00008726132977
              7 vec=    -0.209546    -12.099325     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00006552188792
                2p
                   -1 :               0.00000355212951
                   +0 :              -0.00000653486237
                   +1 :              -0.00012300182596
                3s
                   +0 :              -0.00032258521309
                4s
                   +0 :              -0.00004575543124
                3p
                   -1 :              -0.00005945610692
                   +0 :              -0.00020437649600
                   +1 :               0.00059270770492
                4p
                   -1 :               0.00007491435071
                   +0 :               0.00007062136646
                   +1 :              -0.00013663743383
                3d
                   -2 :               0.00002973364744
                   -1 :               0.00008535616095
                   +0 :              -0.00003306834105
                   +1 :              -0.00009788772338
                   +2 :              -0.00003081097659
              8 vec=     7.570617     10.360070     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00037309262914
                2p
                   -1 :              -0.00006433109967
                   +0 :               0.00003770691351
                   +1 :              -0.00000609671017
                3s
                   +0 :               0.00177108785923
                4s
                   +0 :              -0.00015764236476
                3p
                   -1 :               0.00024604914069
                   +0 :              -0.00055601759875
                   +1 :              -0.00039492480440
                4p
                   -1 :               0.00011351407019
                   +0 :              -0.00004476285243
                   +1 :               0.00008191569962
                3d
                   -2 :              -0.00012762416277
                   -1 :              -0.00019592641847
                   +0 :               0.00040298707573
                   +1 :               0.00008224427464
                   +2 :              -0.00001118461053
              9 vec=    -7.989708     10.360070     -6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00003627426109
                2p
                   -1 :              -0.00002345045192
                   +0 :               0.00001183315631
                   +1 :               0.00003621907914
                3s
                   +0 :              -0.00063216273247
                4s
                   +0 :               0.00011571582861
                3p
                   -1 :               0.00011662174379
                   +0 :               0.00007888462397
                   +1 :              -0.00010253760609
                4p
                   -1 :              -0.00003895466282
                   +0 :               0.00000489690591
                   +1 :               0.00002299644840
                3d
                   -2 :              -0.00009971588413
                   -1 :               0.00002294974442
                   +0 :              -0.00002750934394
                   +1 :               0.00002124608638
                   +2 :               0.00001870703622
             10 vec=    -0.209546     14.851949     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00021824643115
                2p
                   -1 :               0.00007929943537
                   +0 :              -0.00007837205168
                   +1 :              -0.00001340326683
                3s
                   +0 :              -0.00101162258319
                4s
                   +0 :               0.00020772452525
                3p
                   -1 :              -0.00051137147842
                   +0 :               0.00053080861556
                   +1 :               0.00006300611429
                4p
                   -1 :               0.00007140320809
                   +0 :              -0.00008524857077
                   +1 :              -0.00003577832248
                3d
                   -2 :               0.00001974194073
                   -1 :               0.00014067757284
                   +0 :              -0.00007225218663
                   +1 :              -0.00004406781409
                   +2 :               0.00007074942494
             11 vec=    15.350780     -3.115567     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00000645368260
                2p
                   -1 :               0.00001617850758
                   +0 :              -0.00002962489943
                   +1 :               0.00000905692996
                3s
                   +0 :               0.00022745945202
                4s
                   +0 :               0.00000683629222
                3p
                   -1 :              -0.00013049000997
                   +0 :               0.00010372622168
                   +1 :               0.00004851906575
                4p
                   -1 :               0.00006018928240
                   +0 :              -0.00007101901747
                   +1 :               0.00000183837225
                3d
                   -2 :              -0.00000952563238
                   -1 :              -0.00004283192397
                   +0 :               0.00002360255640
                   +1 :              -0.00005835280825
                   +2 :               0.00002956789081
             12 vec=   -15.769871     -3.115567     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00000409144547
                2p
                   -1 :              -0.00001453726790
                   +0 :              -0.00001037943590
                   +1 :               0.00001186562027
                3s
                   +0 :              -0.00003416231358
                4s
                   +0 :              -0.00001867915149
                3p
                   -1 :               0.00008486836138
                   +0 :               0.00001563964790
                   +1 :              -0.00007249634199
                4p
                   -1 :              -0.00001867240918
                   +0 :               0.00000767790901
                   +1 :               0.00003103147106
                3d
                   -2 :              -0.00001249018793
                   -1 :              -0.00000481261451
                   +0 :              -0.00003375815329
                   +1 :              -0.00001940600783
                   +2 :               0.00002083553164
             13 vec=    15.350780      5.868191     -6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00001010195527
                2p
                   -1 :              -0.00004057270309
                   +0 :              -0.00001586863983
                   +1 :               0.00000373779159
                3s
                   +0 :               0.00045713239302
                4s
                   +0 :              -0.00004176148808
                3p
                   -1 :               0.00037942922705
                   +0 :               0.00011251548291
                   +1 :              -0.00001529663209
                4p
                   -1 :              -0.00003622171955
                   +0 :              -0.00004152642861
                   +1 :              -0.00000800000623
                3d
                   -2 :               0.00005312263120
                   -1 :              -0.00007083127202
                   +0 :              -0.00001494749280
                   +1 :              -0.00000316511634
                   +2 :               0.00000618112536
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al(  7)  npairs=  14
              1 vec=    -0.209546     -3.115567      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00515822360498
                2p
                   -1 :               0.00250544493579
                   +0 :              -0.00317902680176
                   +1 :               0.00059313002522
                3s
                   +0 :               0.01428109870632
                4s
                   +0 :              -0.00874395013560
                3p
                   -1 :              -0.00943686958824
                   +0 :               0.01501121357042
                   +1 :               0.00037933760201
                4p
                   -1 :               0.00453082933302
                   +0 :              -0.00654892041868
                   +1 :               0.00020356980955
                3d
                   -2 :              -0.00067721242671
                   -1 :              -0.00128647160383
                   +0 :               0.00273261956104
                   +1 :              -0.00043750409655
                   +2 :               0.00128912484395
              2 vec=    -0.209546      5.868191      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00164324696202
                2p
                   -1 :               0.00151236421951
                   +0 :               0.00064372474881
                   +1 :              -0.00015886094973
                3s
                   +0 :               0.01111568639564
                4s
                   +0 :               0.00183114515052
                3p
                   -1 :               0.00814033410188
                   +0 :              -0.00020495529461
                   +1 :               0.00483517468916
                4p
                   -1 :               0.00162760606171
                   +0 :               0.00065639375104
                   +1 :              -0.00113061639974
                3d
                   -2 :               0.00148845210535
                   -1 :               0.00057343939751
                   +0 :              -0.00250233373472
                   +1 :               0.00033473497339
                   +2 :              -0.00342581393558
              3 vec=     7.570617      1.376312      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00067985610152
                2p
                   -1 :              -0.00096320298381
                   +0 :               0.00019276612437
                   +1 :              -0.00026086994023
                3s
                   +0 :              -0.00339012931745
                4s
                   +0 :               0.00061126179023
                3p
                   -1 :               0.00394225584754
                   +0 :              -0.00178786481876
                   +1 :               0.00035267696659
                4p
                   -1 :              -0.00076783241130
                   +0 :               0.00051845152034
                   +1 :              -0.00013025579948
                3d
                   -2 :               0.00037333706338
                   -1 :               0.00075794039336
                   +0 :               0.00004262774654
                   +1 :               0.00035068558891
                   +2 :               0.00089393019088
              4 vec=    -7.989708      1.376312      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00014926958511
                2p
                   -1 :               0.00006228547683
                   +0 :              -0.00037450456963
                   +1 :              -0.00028180589499
                3s
                   +0 :               0.00052798087437
                4s
                   +0 :               0.00015451130569
                3p
                   -1 :              -0.00009893307527
                   +0 :               0.00242720413464
                   +1 :               0.00138079281783
                4p
                   -1 :               0.00017789627169
                   +0 :              -0.00070212998321
                   +1 :              -0.00080405709219
                3d
                   -2 :              -0.00049892858151
                   -1 :               0.00010314116049
                   +0 :               0.00018843611840
                   +1 :              -0.00041980709260
                   +2 :              -0.00006566308883
              5 vec=     7.570617     -7.607446      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00051918863988
                2p
                   -1 :              -0.00004962720709
                   +0 :               0.00016375761691
                   +1 :               0.00029704240155
                3s
                   +0 :              -0.00140427957810
                4s
                   +0 :               0.00044317989930
                3p
                   -1 :               0.00074728511391
                   +0 :               0.00000861187771
                   +1 :              -0.00117060634273
                4p
                   -1 :              -0.00007380573279
                   +0 :               0.00014349122124
                   +1 :               0.00030307302254
                3d
                   -2 :               0.00022340642230
                   -1 :               0.00006371812535
                   +0 :               0.00034116414969
                   +1 :               0.00004495827857
                   +2 :               0.00006422244212
              6 vec=    -7.989708     -7.607446      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00039335887284
                2p
                   -1 :              -0.00011874842996
                   +0 :               0.00017424088205
                   +1 :              -0.00021659253641
                3s
                   +0 :              -0.00068311895118
                4s
                   +0 :               0.00015203485781
                3p
                   -1 :               0.00071990262195
                   +0 :              -0.00052098788808
                   +1 :               0.00093077983299
                4p
                   -1 :               0.00001250734127
                   +0 :               0.00011629102258
                   +1 :              -0.00015654904752
                3d
                   -2 :              -0.00039900617355
                   -1 :               0.00030737172147
                   +0 :               0.00015402882177
                   +1 :               0.00029372229313
                   +2 :              -0.00006980442128
              7 vec=    -0.209546    -12.099325      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00016744105634
                2p
                   -1 :               0.00010823171934
                   +0 :              -0.00000776624836
                   +1 :              -0.00006136179434
                3s
                   +0 :               0.00114258252655
                4s
                   +0 :              -0.00024267453754
                3p
                   -1 :              -0.00081960303234
                   +0 :              -0.00007517228864
                   +1 :               0.00038075882501
                4p
                   -1 :               0.00017884837902
                   +0 :               0.00005235864794
                   +1 :              -0.00009073075680
                3d
                   -2 :              -0.00017961753339
                   -1 :               0.00000513903168
                   +0 :               0.00004858285678
                   +1 :               0.00003969828730
                   +2 :              -0.00009067015276
              8 vec=     7.570617     10.360070      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00042157155699
                2p
                   -1 :               0.00029729929385
                   +0 :               0.00004338645656
                   +1 :              -0.00002617057473
                3s
                   +0 :              -0.00120483229934
                4s
                   +0 :               0.00020611041901
                3p
                   -1 :              -0.00115805369357
                   +0 :              -0.00029825925266
                   +1 :               0.00034735912951
                4p
                   -1 :               0.00011390776325
                   +0 :               0.00008106814179
                   +1 :              -0.00013940342617
                3d
                   -2 :              -0.00001899887696
                   -1 :              -0.00017361539974
                   +0 :               0.00006634432999
                   +1 :               0.00001194887065
                   +2 :               0.00025189233517
              9 vec=    -7.989708     10.360070      5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00004571264575
                2p
                   -1 :              -0.00002019340165
                   +0 :               0.00000188529235
                   +1 :               0.00005972819139
                3s
                   +0 :              -0.00027471431362
                4s
                   +0 :               0.00010174208064
                3p
                   -1 :              -0.00000291544449
                   +0 :              -0.00016357208545
                   +1 :              -0.00031877452668
                4p
                   -1 :               0.00001330790312
                   +0 :               0.00005856975759
                   +1 :               0.00003267911410
                3d
                   -2 :              -0.00014078624769
                   -1 :               0.00000443294962
                   +0 :               0.00002224857676
                   +1 :              -0.00006230195352
                   +2 :              -0.00001110145870
             10 vec=    -0.209546     14.851949      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00009007648929
                2p
                   -1 :               0.00001939425557
                   +0 :               0.00000040249520
                   +1 :              -0.00000172859161
                3s
                   +0 :              -0.00048602802232
                4s
                   +0 :               0.00008659184886
                3p
                   -1 :              -0.00017074241090
                   +0 :              -0.00008660984489
                   +1 :              -0.00010565041615
                4p
                   -1 :               0.00002505598413
                   +0 :               0.00000503934475
                   +1 :               0.00001533982989
                3d
                   -2 :              -0.00002259664652
                   -1 :              -0.00002609458328
                   +0 :              -0.00003504924390
                   +1 :              -0.00003002259246
                   +2 :               0.00000817420505
             11 vec=    15.350780     -3.115567      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00002224971372
                2p
                   -1 :               0.00000874687647
                   +0 :              -0.00000124962065
                   +1 :               0.00001097153784
                3s
                   +0 :               0.00008130731910
                4s
                   +0 :              -0.00000099228236
                3p
                   -1 :              -0.00012851822817
                   +0 :               0.00010011779513
                   +1 :              -0.00001891242866
                4p
                   -1 :               0.00000848205911
                   +0 :              -0.00001893079091
                   +1 :               0.00002475127769
                3d
                   -2 :              -0.00001332943390
                   -1 :              -0.00006959030327
                   +0 :               0.00000289666783
                   +1 :               0.00002019634062
                   +2 :              -0.00004337790897
             12 vec=   -15.769871     -3.115567      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00002466115562
                2p
                   -1 :              -0.00003315739620
                   +0 :               0.00001275319820
                   +1 :              -0.00005336978533
                3s
                   +0 :               0.00026983483697
                4s
                   +0 :               0.00004254512286
                3p
                   -1 :               0.00003681665026
                   +0 :               0.00010070604911
                   +1 :               0.00014513074861
                4p
                   -1 :              -0.00003032509651
                   +0 :              -0.00001537225827
                   +1 :              -0.00007673200422
                3d
                   -2 :              -0.00000963518457
                   -1 :              -0.00000803197647
                   +0 :               0.00003955344824
                   +1 :               0.00000735078924
                   +2 :              -0.00004650204972
             13 vec=    15.350780      5.868191      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00002209195511
                2p
                   -1 :              -0.00002497150534
                   +0 :              -0.00000034825811
                   +1 :               0.00000442143261
                3s
                   +0 :               0.00000347383770
                4s
                   +0 :              -0.00004103803023
                3p
                   -1 :               0.00009742648077
                   +0 :               0.00009819565819
                   +1 :               0.00002561913038
                4p
                   -1 :              -0.00005276082907
                   +0 :              -0.00004421686233
                   +1 :              -0.00002985092356
                3d
                   -2 :               0.00002962911606
                   -1 :              -0.00000100429387
                   +0 :               0.00003375465031
                   +1 :               0.00001624519389
                   +2 :              -0.00002310876635
             14 vec=   -15.769871      5.868191      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000213915021
                2p
                   -1 :               0.00002406701801
                   +0 :               0.00000105044078
                   +1 :              -0.00001033228254
                3s
                   +0 :               0.00004293860882
                4s
                   +0 :               0.00002441020924
                3p
                   -1 :              -0.00008947974967
                   +0 :              -0.00003379500923
                   +1 :               0.00008369477180
                4p
                   -1 :               0.00004178959281
                   +0 :               0.00001511716664
                   +1 :              -0.00003002618117
                3d
                   -2 :               0.00001388261505
                   -1 :              -0.00000354942506
                   +0 :               0.00000405494695
                   +1 :               0.00002119019197
                   +2 :              -0.00001052871531
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al(  8)  npairs=  14
              1 vec=    -0.209546     -3.115567     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02360552731133
                2p
                   -1 :               0.02339229049036
                   +0 :               0.00498844493206
                   +1 :               0.00098412316789
                3s
                   +0 :              -0.03159481123869
                4s
                   +0 :              -0.01107490288342
                3p
                   -1 :               0.05405204748997
                   +0 :              -0.02099895129553
                   +1 :               0.00551671112794
                4p
                   -1 :               0.01074957301347
                   +0 :               0.00402586203018
                   +1 :              -0.00033585508006
                3d
                   -2 :              -0.00371890754140
                   -1 :              -0.00286652932015
                   +0 :               0.03140182615132
                   +1 :               0.00108370553033
                   +2 :               0.03629302322438
              2 vec=    -0.209546      5.868191     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00131187239182
                2p
                   -1 :               0.00093513831533
                   +0 :              -0.00000879679050
                   +1 :               0.00017692988074
                3s
                   +0 :              -0.00524254212374
                4s
                   +0 :               0.00320606844249
                3p
                   -1 :              -0.00558066413732
                   +0 :               0.00342808875247
                   +1 :              -0.00229633561006
                4p
                   -1 :               0.00129964348232
                   +0 :               0.00014816671391
                   +1 :               0.00079515291072
                3d
                   -2 :              -0.00136591722499
                   -1 :               0.00120240787270
                   +0 :              -0.00052726315789
                   +1 :              -0.00056811705243
                   +2 :               0.00260379485014
              3 vec=     7.570617      1.376312     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00067047847752
                2p
                   -1 :              -0.00065385030923
                   +0 :              -0.00030095456952
                   +1 :               0.00046124405700
                3s
                   +0 :              -0.00009830033862
                4s
                   +0 :               0.00137390343849
                3p
                   -1 :               0.00535960951300
                   +0 :               0.00157997552609
                   +1 :              -0.00034877479904
                4p
                   -1 :              -0.00081746210583
                   +0 :              -0.00086916277703
                   +1 :               0.00128023810286
                3d
                   -2 :               0.00229939261943
                   -1 :              -0.00086997370500
                   +0 :              -0.00082399494085
                   +1 :              -0.00164094242029
                   +2 :              -0.00045024988335
              4 vec=    -7.989708      1.376312     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00036771388877
                2p
                   -1 :              -0.00029958905533
                   +0 :               0.00007715766869
                   +1 :              -0.00100368660808
                3s
                   +0 :              -0.00065480963006
                4s
                   +0 :               0.00078809587566
                3p
                   -1 :               0.00343204416176
                   +0 :              -0.00182736290587
                   +1 :               0.00390865585185
                4p
                   -1 :              -0.00045291032187
                   +0 :               0.00018560900128
                   +1 :              -0.00134465291621
                3d
                   -2 :              -0.00053385353174
                   -1 :              -0.00079931260423
                   +0 :              -0.00029655662668
                   +1 :               0.00008623573732
                   +2 :              -0.00101487891341
              5 vec=     7.570617     -7.607446     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00014156901749
                2p
                   -1 :              -0.00003869759467
                   +0 :               0.00015060298139
                   +1 :               0.00006105617285
                3s
                   +0 :              -0.00278205903808
                4s
                   +0 :               0.00037182580516
                3p
                   -1 :               0.00107920129154
                   +0 :              -0.00160427130316
                   +1 :              -0.00078973918997
                4p
                   -1 :              -0.00022870589789
                   +0 :               0.00023796789228
                   +1 :               0.00028854649633
                3d
                   -2 :               0.00000963412674
                   -1 :               0.00022630127099
                   +0 :              -0.00032249436449
                   +1 :              -0.00028216453972
                   +2 :              -0.00011889502101
              6 vec=    -7.989708     -7.607446     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00017105066097
                2p
                   -1 :               0.00003412301830
                   +0 :               0.00014263095387
                   +1 :              -0.00009479726069
                3s
                   +0 :              -0.00072912289705
                4s
                   +0 :               0.00013536474028
                3p
                   -1 :               0.00000316710206
                   +0 :              -0.00128456808689
                   +1 :               0.00063917972872
                4p
                   -1 :               0.00007672298047
                   +0 :               0.00015234651097
                   +1 :              -0.00013892934447
                3d
                   -2 :              -0.00002215707288
                   -1 :               0.00023782374569
                   +0 :              -0.00019198795706
                   +1 :               0.00034352805098
                   +2 :              -0.00004974025048
              7 vec=    -0.209546    -12.099325     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00009127963683
                2p
                   -1 :               0.00000464345854
                   +0 :              -0.00007385528794
                   +1 :              -0.00012045433573
                3s
                   +0 :              -0.00048334899113
                4s
                   +0 :               0.00005108506715
                3p
                   -1 :               0.00001967446371
                   +0 :               0.00024893760083
                   +1 :               0.00054181072419
                4p
                   -1 :               0.00006497089516
                   +0 :              -0.00004964663301
                   +1 :              -0.00012722158107
                3d
                   -2 :               0.00004412044040
                   -1 :              -0.00003907299071
                   +0 :              -0.00010626527508
                   +1 :              -0.00008877206896
                   +2 :              -0.00000117944141
              8 vec=     7.570617     10.360070     -1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00013066293158
                2p
                   -1 :              -0.00000026828479
                   +0 :              -0.00006734040888
                   +1 :              -0.00015436609093
                3s
                   +0 :               0.00126859167986
                4s
                   +0 :              -0.00011237255694
                3p
                   -1 :               0.00073322019580
                   +0 :               0.00193089568341
                   +1 :               0.00003652368302
                4p
                   -1 :              -0.00000140401961
                   +0 :              -0.00015089348565
                   +1 :              -0.00016060737059
                3d
                   -2 :               0.00024287897484
                   -1 :               0.00028593658372
                   +0 :               0.00026522528854
                   +1 :               0.00000062548927
                   +2 :              -0.00014557217169
              9 vec=    -7.989708     10.360070     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00028522373201
                2p
                   -1 :              -0.00005211945280
                   +0 :               0.00003696745559
                   +1 :               0.00020611005946
                3s
                   +0 :               0.00038143110708
                4s
                   +0 :              -0.00027165547684
                3p
                   -1 :               0.00025232420328
                   +0 :               0.00005773092058
                   +1 :              -0.00079598408660
                4p
                   -1 :              -0.00008790898934
                   +0 :              -0.00002398360850
                   +1 :               0.00024227283183
                3d
                   -2 :              -0.00006873053307
                   -1 :              -0.00002912335557
                   +0 :              -0.00010226744688
                   +1 :               0.00003565011868
                   +2 :               0.00007700438782
             10 vec=    -0.209546     14.851949     -1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00006340338273
                2p
                   -1 :              -0.00000223823593
                   +0 :              -0.00000447737298
                   +1 :               0.00001317216924
                3s
                   +0 :              -0.00061097973852
                4s
                   +0 :               0.00008429358133
                3p
                   -1 :              -0.00014800434416
                   +0 :               0.00011938285978
                   +1 :              -0.00010173197888
                4p
                   -1 :              -0.00000014305437
                   +0 :              -0.00005617130620
                   +1 :               0.00004303478298
                3d
                   -2 :              -0.00006098644219
                   -1 :               0.00003606389166
                   +0 :              -0.00010213518073
                   +1 :              -0.00002831812635
                   +2 :               0.00005931659623
             11 vec=    15.350780     -3.115567     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00004913470620
                2p
                   -1 :               0.00002850400843
                   +0 :               0.00000118307975
                   +1 :               0.00004593414448
                3s
                   +0 :               0.00014782206899
                4s
                   +0 :              -0.00005431680795
                3p
                   -1 :              -0.00013732546600
                   +0 :               0.00020025720271
                   +1 :              -0.00013530937307
                4p
                   -1 :               0.00008458588359
                   +0 :              -0.00000509822893
                   +1 :               0.00000347801751
                3d
                   -2 :               0.00003736678659
                   -1 :              -0.00002533680845
                   +0 :               0.00009638325475
                   +1 :               0.00007182892564
                   +2 :               0.00004187691334
             12 vec=   -15.769871     -3.115567     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00003004454389
                2p
                   -1 :              -0.00001595773247
                   +0 :               0.00001364862583
                   +1 :              -0.00000496961049
                3s
                   +0 :               0.00017240625365
                4s
                   +0 :              -0.00001548185059
                3p
                   -1 :               0.00016824410220
                   +0 :              -0.00022911175568
                   +1 :               0.00004586455464
                4p
                   -1 :              -0.00002395673525
                   +0 :               0.00003383718097
                   +1 :              -0.00002742730493
                3d
                   -2 :              -0.00003996054639
                   -1 :              -0.00004362988988
                   +0 :              -0.00004100827650
                   +1 :               0.00002576139022
                   +2 :              -0.00004992358444
             13 vec=    15.350780      5.868191     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00004528762565
                2p
                   -1 :               0.00002319627981
                   +0 :               0.00002011068300
                   +1 :              -0.00000942415286
                3s
                   +0 :               0.00055212936377
                4s
                   +0 :              -0.00011331123387
                3p
                   -1 :              -0.00001186971385
                   +0 :              -0.00003348687858
                   +1 :              -0.00005268764940
                4p
                   -1 :               0.00000134610170
                   +0 :               0.00003727612664
                   +1 :               0.00002380903728
                3d
                   -2 :              -0.00001196697508
                   -1 :               0.00005178080016
                   +0 :               0.00009273443376
                   +1 :               0.00000240573968
                   +2 :              -0.00003011479348
             14 vec=   -15.769871      5.868191     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00004317027910
                2p
                   -1 :               0.00002918712481
                   +0 :              -0.00000354998954
                   +1 :               0.00002087046316
                3s
                   +0 :              -0.00024029494993
                4s
                   +0 :               0.00008320029336
                3p
                   -1 :              -0.00015574087658
                   +0 :              -0.00003225453497
                   +1 :              -0.00011745767324
                4p
                   -1 :               0.00004818220021
                   +0 :              -0.00000529692735
                   +1 :               0.00001635051756
                3d
                   -2 :              -0.00001614197846
                   -1 :               0.00003770530402
                   +0 :              -0.00002866859912
                   +1 :               0.00001096468494
                   +2 :               0.00003745739817
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al(  9)  npairs=  14
              1 vec=    -2.802933      1.376312     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00527591413902
                2p
                   -1 :               0.00078480935778
                   +0 :              -0.00292904835271
                   +1 :              -0.00204701564519
                3s
                   +0 :              -0.01858998731522
                4s
                   +0 :               0.00762531772013
                3p
                   -1 :               0.00081367992818
                   +0 :               0.01461383162188
                   +1 :               0.00719364406824
                4p
                   -1 :               0.00117876631760
                   +0 :              -0.00557324187501
                   +1 :              -0.00303662922235
                3d
                   -2 :              -0.00120339627814
                   -1 :              -0.00070493418859
                   +0 :              -0.00210209747897
                   +1 :              -0.00106159134178
                   +2 :               0.00205123629554
              2 vec=     4.977229     -3.115567     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00151910159657
                2p
                   -1 :               0.00080746631461
                   +0 :               0.00038521064291
                   +1 :              -0.00110407347202
                3s
                   +0 :              -0.00552146005007
                4s
                   +0 :              -0.00069580271297
                3p
                   -1 :              -0.00267408314889
                   +0 :               0.00018397087861
                   +1 :              -0.00466132206441
                4p
                   -1 :               0.00093603189358
                   +0 :              -0.00021908001264
                   +1 :              -0.00099296058154
                3d
                   -2 :              -0.00022720382188
                   -1 :               0.00048680977969
                   +0 :               0.00191442771809
                   +1 :              -0.00001808678426
                   +2 :              -0.00188479798335
              3 vec=     4.977229      5.868191     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00031919942086
                2p
                   -1 :               0.00003893188988
                   +0 :              -0.00012066364192
                   +1 :               0.00106986003232
                3s
                   +0 :               0.00459064947982
                4s
                   +0 :               0.00022171664300
                3p
                   -1 :               0.00176265007912
                   +0 :               0.00019087605015
                   +1 :              -0.01001951730201
                4p
                   -1 :               0.00035083120727
                   +0 :               0.00004683292240
                   +1 :               0.00140269890196
                3d
                   -2 :              -0.00281512431085
                   -1 :               0.00064951096876
                   +0 :              -0.00102819253472
                   +1 :               0.00145990797369
                   +2 :               0.00062034036635
              4 vec=    -2.802933     -7.607446     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00011227080316
                2p
                   -1 :               0.00032843485908
                   +0 :              -0.00037147378926
                   +1 :               0.00004942365811
                3s
                   +0 :              -0.00168377614661
                4s
                   +0 :               0.00000372801442
                3p
                   -1 :              -0.00122383953144
                   +0 :               0.00319475686362
                   +1 :               0.00042009933209
                4p
                   -1 :               0.00043607739538
                   +0 :              -0.00083251076708
                   +1 :               0.00003733141754
                3d
                   -2 :               0.00028161962057
                   -1 :              -0.00048453445889
                   +0 :              -0.00047782225178
                   +1 :              -0.00082607808348
                   +2 :               0.00017239398970
              5 vec=    -2.802933     10.360070     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00001816533712
                2p
                   -1 :              -0.00022113648156
                   +0 :              -0.00000494061683
                   +1 :              -0.00002076173609
                3s
                   +0 :              -0.00136497430275
                4s
                   +0 :              -0.00020983193947
                3p
                   -1 :               0.00077124990165
                   +0 :               0.00132155642328
                   +1 :              -0.00031318544518
                4p
                   -1 :              -0.00037693549156
                   +0 :              -0.00014776120168
                   +1 :               0.00004591361116
                3d
                   -2 :              -0.00009296244924
                   -1 :               0.00027192744529
                   +0 :              -0.00047739900632
                   +1 :               0.00006600516076
                   +2 :              -0.00017980300957
              6 vec=   -10.583096     -3.115567     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00033347894942
                2p
                   -1 :               0.00008961983910
                   +0 :               0.00007265329498
                   +1 :               0.00011781836363
                3s
                   +0 :               0.00081247568561
                4s
                   +0 :              -0.00030749280805
                3p
                   -1 :              -0.00025543391825
                   +0 :              -0.00021318987330
                   +1 :              -0.00062746153604
                4p
                   -1 :               0.00003436410456
                   +0 :               0.00011951296207
                   +1 :               0.00015120906677
                3d
                   -2 :               0.00017825359627
                   -1 :               0.00008328616147
                   +0 :              -0.00017215822686
                   +1 :               0.00009945392577
                   +2 :              -0.00001309624784
              7 vec=   -10.583096      5.868191     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00023486605143
                2p
                   -1 :               0.00011938021584
                   +0 :              -0.00004595458688
                   +1 :              -0.00001383126256
                3s
                   +0 :              -0.00128459575316
                4s
                   +0 :               0.00023716975149
                3p
                   -1 :              -0.00056391264323
                   +0 :               0.00008574730133
                   +1 :               0.00010910578545
                4p
                   -1 :               0.00011914807673
                   +0 :               0.00002234284994
                   +1 :              -0.00000294419213
                3d
                   -2 :               0.00011165050944
                   -1 :               0.00000933963405
                   +0 :              -0.00001844491002
                   +1 :               0.00006826247071
                   +2 :               0.00013001303054
              8 vec=    12.757392      1.376312     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00110686281937
                2p
                   -1 :               0.00011692678459
                   +0 :               0.00034244739859
                   +1 :              -0.00038377740639
                3s
                   +0 :               0.00571304151527
                4s
                   +0 :              -0.00078829693071
                3p
                   -1 :              -0.00113161761998
                   +0 :              -0.00304512317556
                   +1 :               0.00194041261165
                4p
                   -1 :               0.00002023919982
                   +0 :               0.00046190809652
                   +1 :              -0.00020222636992
                3d
                   -2 :              -0.00017287170049
                   -1 :               0.00033280003520
                   +0 :               0.00036079310475
                   +1 :              -0.00071976477335
                   +2 :              -0.00000274587713
              9 vec=     4.977229    -12.099325     -5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00007083193825
                2p
                   -1 :               0.00006409654829
                   +0 :               0.00004807065595
                   +1 :               0.00000827049858
                3s
                   +0 :              -0.00074478443403
                4s
                   +0 :               0.00002644490673
                3p
                   -1 :              -0.00037321342689
                   +0 :              -0.00023486689707
                   +1 :              -0.00009180132671
                4p
                   -1 :               0.00007331013300
                   +0 :               0.00004868587905
                   +1 :               0.00000712707530
                3d
                   -2 :              -0.00019323532208
                   -1 :               0.00019749762266
                   +0 :              -0.00001049908946
                   +1 :               0.00000199062364
                   +2 :              -0.00011114661610
             10 vec=    12.757392     -7.607446     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00009037580218
                2p
                   -1 :               0.00004909521068
                   +0 :              -0.00000271183931
                   +1 :              -0.00001845122602
                3s
                   +0 :               0.00009236461126
                4s
                   +0 :              -0.00009510350975
                3p
                   -1 :              -0.00014883958857
                   +0 :               0.00009867601752
                   +1 :              -0.00008176102052
                4p
                   -1 :               0.00006803704908
                   +0 :              -0.00002460882100
                   +1 :              -0.00001278048881
                3d
                   -2 :               0.00004169830194
                   -1 :              -0.00000376291635
                   +0 :               0.00000168043640
                   +1 :              -0.00000807412167
                   +2 :               0.00000049611762
             11 vec=     4.977229     14.851949     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00001870789431
                2p
                   -1 :               0.00001408468154
                   +0 :               0.00003427085141
                   +1 :               0.00002637149146
                3s
                   +0 :               0.00008493563780
                4s
                   +0 :              -0.00000047564080
                3p
                   -1 :              -0.00003340915816
                   +0 :              -0.00024529685521
                   +1 :               0.00002544883847
                4p
                   -1 :               0.00001804100408
                   +0 :               0.00004630623681
                   +1 :               0.00001537318576
                3d
                   -2 :               0.00005153265866
                   -1 :              -0.00006016359880
                   +0 :               0.00004466586030
                   +1 :              -0.00003317884742
                   +2 :               0.00000326268578
             12 vec=   -10.583096    -12.099325     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00006493918982
                2p
                   -1 :              -0.00000091993945
                   +0 :               0.00001976583686
                   +1 :               0.00006065522883
                3s
                   +0 :               0.00009490550027
                4s
                   +0 :              -0.00003013965159
                3p
                   -1 :               0.00004996594163
                   +0 :              -0.00003193021069
                   +1 :              -0.00024918822547
                4p
                   -1 :              -0.00003507027777
                   +0 :               0.00001419024736
                   +1 :               0.00006203821026
                3d
                   -2 :               0.00002253919019
                   -1 :              -0.00001775749443
                   +0 :              -0.00003274536617
                   +1 :               0.00002664048598
                   +2 :               0.00000537302265
             13 vec=    12.757392     10.360070     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00007793626042
                2p
                   -1 :              -0.00000069905252
                   +0 :               0.00002007487955
                   +1 :              -0.00001110174312
                3s
                   +0 :               0.00095828279116
                4s
                   +0 :              -0.00011766428250
                3p
                   -1 :               0.00000069269105
                   +0 :              -0.00012009031068
                   +1 :               0.00016836143103
                4p
                   -1 :              -0.00000815084144
                   +0 :               0.00005606966193
                   +1 :               0.00000721076083
                3d
                   -2 :               0.00004533825681
                   -1 :              -0.00004019912474
                   +0 :               0.00005014200890
                   +1 :               0.00004949431777
                   +2 :              -0.00001176748927
             14 vec=    -2.802933    -16.591204     -5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00008002981197
                2p
                   -1 :              -0.00001633878128
                   +0 :              -0.00000818458445
                   +1 :              -0.00002765896991
                3s
                   +0 :              -0.00044580359077
                4s
                   +0 :               0.00007870735871
                3p
                   -1 :               0.00011902661444
                   +0 :               0.00007021352594
                   +1 :               0.00014887562172
                4p
                   -1 :              -0.00001601568108
                   +0 :              -0.00001374520541
                   +1 :              -0.00003283969464
                3d
                   -2 :              -0.00005942308074
                   -1 :              -0.00000890715813
                   +0 :               0.00001402821252
                   +1 :              -0.00002729073457
                   +2 :               0.00000356178551
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al( 10)  npairs=  14
              1 vec=    -2.802933      1.376312      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02199586085442
                2p
                   -1 :               0.01079618226167
                   +0 :               0.00432972335461
                   +1 :              -0.01940885817632
                3s
                   +0 :               0.04633149892150
                4s
                   +0 :               0.00881881497451
                3p
                   -1 :               0.03199324754823
                   +0 :              -0.01651329590304
                   +1 :              -0.05982729825950
                4p
                   -1 :               0.00608942645840
                   +0 :               0.00317297833108
                   +1 :              -0.00710664395497
                3d
                   -2 :              -0.03369221357650
                   -1 :               0.00158981776042
                   +0 :              -0.03320751622551
                   +1 :               0.00132427501689
                   +2 :               0.02053202137904
              2 vec=     4.977229     -3.115567      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00121870387014
                2p
                   -1 :               0.00058715737409
                   +0 :               0.00027775093781
                   +1 :              -0.00141887059797
                3s
                   +0 :              -0.00334170887249
                4s
                   +0 :              -0.00297441644871
                3p
                   -1 :               0.00345932456631
                   +0 :               0.00144789728296
                   +1 :               0.00789278505506
                4p
                   -1 :               0.00029065808881
                   +0 :               0.00046619888048
                   +1 :              -0.00200944998548
                3d
                   -2 :              -0.00224516149288
                   -1 :              -0.00098322426106
                   +0 :               0.00102608315492
                   +1 :               0.00167101255445
                   +2 :               0.00291488011768
              3 vec=     4.977229      5.868191      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00019145022695
                2p
                   -1 :              -0.00052550064675
                   +0 :              -0.00019664992765
                   +1 :               0.00036332228951
                3s
                   +0 :              -0.00824852999829
                4s
                   +0 :               0.00065713581279
                3p
                   -1 :              -0.00023669982586
                   +0 :               0.00201168348936
                   +1 :              -0.00879134546404
                4p
                   -1 :              -0.00041178198356
                   +0 :              -0.00086343408364
                   +1 :               0.00082574102376
                3d
                   -2 :              -0.00071268847191
                   -1 :               0.00031886067243
                   +0 :               0.00132855638676
                   +1 :               0.00003112269811
                   +2 :              -0.00225416117485
              4 vec=    -2.802933     -7.607446      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00050949976212
                2p
                   -1 :               0.00032900434245
                   +0 :               0.00011018010243
                   +1 :               0.00050896733068
                3s
                   +0 :               0.00302200505212
                4s
                   +0 :              -0.00077145290802
                3p
                   -1 :              -0.00116434566566
                   +0 :               0.00032965578681
                   +1 :              -0.00182629608323
                4p
                   -1 :               0.00040609400020
                   +0 :               0.00005862469962
                   +1 :               0.00083697950461
                3d
                   -2 :               0.00040210917273
                   -1 :              -0.00023307029824
                   +0 :               0.00025499667655
                   +1 :              -0.00036498948849
                   +2 :               0.00008393273540
              5 vec=    -2.802933     10.360070      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00017858035692
                2p
                   -1 :              -0.00000758977686
                   +0 :               0.00016472850613
                   +1 :              -0.00009813961590
                3s
                   +0 :              -0.00018542373363
                4s
                   +0 :              -0.00006481562667
                3p
                   -1 :               0.00131032223706
                   +0 :              -0.00226203879195
                   +1 :               0.00101122235715
                4p
                   -1 :              -0.00039608036273
                   +0 :               0.00030695754694
                   +1 :              -0.00009183708880
                3d
                   -2 :               0.00002724415567
                   -1 :              -0.00039200343597
                   +0 :               0.00002534749475
                   +1 :               0.00026792840664
                   +2 :              -0.00007829189911
              6 vec=   -10.583096     -3.115567      1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00023162578047
                2p
                   -1 :               0.00011342630650
                   +0 :               0.00004269233502
                   +1 :               0.00009166755117
                3s
                   +0 :               0.00268910011651
                4s
                   +0 :              -0.00067633426031
                3p
                   -1 :              -0.00088854690934
                   +0 :              -0.00087978742167
                   +1 :              -0.00134711842818
                4p
                   -1 :               0.00027015425092
                   +0 :               0.00013260953810
                   +1 :               0.00038253457683
                3d
                   -2 :               0.00031457235910
                   -1 :               0.00030481180196
                   +0 :               0.00027727485090
                   +1 :               0.00021076228116
                   +2 :              -0.00013312426174
              7 vec=   -10.583096      5.868191      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00028905929055
                2p
                   -1 :              -0.00004060080310
                   +0 :              -0.00026698000652
                   +1 :               0.00014864401398
                3s
                   +0 :               0.00074605891121
                4s
                   +0 :              -0.00007132371237
                3p
                   -1 :               0.00020865790460
                   +0 :               0.00117635532986
                   +1 :              -0.00068381079330
                4p
                   -1 :              -0.00003502410489
                   +0 :              -0.00025124518007
                   +1 :               0.00005672231193
                3d
                   -2 :              -0.00007620904039
                   -1 :               0.00004942270229
                   +0 :               0.00005174704364
                   +1 :              -0.00016945884390
                   +2 :               0.00007936126748
              8 vec=    12.757392      1.376312      1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00012873689654
                2p
                   -1 :               0.00014999957387
                   +0 :               0.00021207539144
                   +1 :               0.00003868395485
                3s
                   +0 :              -0.00048973586996
                4s
                   +0 :              -0.00016803761802
                3p
                   -1 :              -0.00092270955202
                   +0 :              -0.00067725366350
                   +1 :              -0.00012252453547
                4p
                   -1 :               0.00019587387377
                   +0 :               0.00008192154072
                   +1 :              -0.00003797065439
                3d
                   -2 :              -0.00016131728025
                   -1 :              -0.00004497614100
                   +0 :               0.00024324463688
                   +1 :              -0.00020685123751
                   +2 :              -0.00000679314406
              9 vec=     4.977229    -12.099325      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00005792914279
                2p
                   -1 :              -0.00008524590414
                   +0 :              -0.00004533375598
                   +1 :               0.00001731088910
                3s
                   +0 :              -0.00010249194144
                4s
                   +0 :               0.00012553233910
                3p
                   -1 :               0.00024015770936
                   +0 :               0.00040688212732
                   +1 :              -0.00017626653583
                4p
                   -1 :              -0.00008610168914
                   +0 :              -0.00007828853715
                   +1 :               0.00001306051536
                3d
                   -2 :               0.00004636639439
                   -1 :              -0.00002252409834
                   +0 :               0.00008045850284
                   +1 :              -0.00008421887883
                   +2 :               0.00002566326335
             10 vec=    12.757392     -7.607446      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00017157696363
                2p
                   -1 :              -0.00002034627935
                   +0 :               0.00004451514621
                   +1 :               0.00003385398751
                3s
                   +0 :              -0.00096428917237
                4s
                   +0 :               0.00023535120309
                3p
                   -1 :               0.00022884290779
                   +0 :              -0.00013046547401
                   +1 :              -0.00043263540026
                4p
                   -1 :              -0.00009061488173
                   +0 :               0.00005502749538
                   +1 :               0.00008323540301
                3d
                   -2 :               0.00007728532088
                   -1 :               0.00003405982645
                   +0 :               0.00002556253010
                   +1 :               0.00005655694877
                   +2 :              -0.00000576895629
             11 vec=     4.977229     14.851949      1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00009204590629
                2p
                   -1 :               0.00002718165508
                   +0 :              -0.00001437597054
                   +1 :               0.00000923085263
                3s
                   +0 :              -0.00037417654087
                4s
                   +0 :               0.00007129613215
                3p
                   -1 :              -0.00020435772299
                   +0 :               0.00001641438290
                   +1 :               0.00000699680304
                4p
                   -1 :               0.00001664673601
                   +0 :              -0.00000117258612
                   +1 :              -0.00002485091973
                3d
                   -2 :               0.00001376870162
                   -1 :              -0.00001082460833
                   +0 :              -0.00000803346632
                   +1 :              -0.00004808068114
                   +2 :               0.00010156554829
             12 vec=   -10.583096    -12.099325      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00004502911150
                2p
                   -1 :              -0.00001846644824
                   +0 :               0.00001737267440
                   +1 :              -0.00000424046091
                3s
                   +0 :               0.00039898772461
                4s
                   +0 :              -0.00005969211107
                3p
                   -1 :               0.00007534567282
                   +0 :              -0.00008019463768
                   +1 :              -0.00002952645571
                4p
                   -1 :              -0.00001500291517
                   +0 :              -0.00000881051079
                   +1 :              -0.00000547059845
                3d
                   -2 :              -0.00001555981093
                   -1 :              -0.00000021193312
                   +0 :               0.00003806950496
                   +1 :               0.00004601425570
                   +2 :               0.00001937601900
             13 vec=    12.757392     10.360070      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00000780678211
                2p
                   -1 :              -0.00002722729083
                   +0 :               0.00000351724329
                   +1 :               0.00002508547941
                3s
                   +0 :              -0.00001216316139
                4s
                   +0 :               0.00009916408556
                3p
                   -1 :               0.00008395997689
                   +0 :               0.00006042206117
                   +1 :              -0.00017170365327
                4p
                   -1 :               0.00003139124212
                   +0 :              -0.00004472468333
                   +1 :               0.00008147933719
                3d
                   -2 :               0.00003581165136
                   -1 :               0.00001850620078
                   +0 :              -0.00005901462804
                   +1 :               0.00000816216350
                   +2 :              -0.00005764502811
             14 vec=    -2.802933    -16.591204      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00003493724858
                2p
                   -1 :              -0.00000941809479
                   +0 :               0.00000759966392
                   +1 :               0.00000047616871
                3s
                   +0 :               0.00018214482450
                4s
                   +0 :              -0.00007116802517
                3p
                   -1 :               0.00001510737090
                   +0 :              -0.00003654352353
                   +1 :              -0.00002145746129
                4p
                   -1 :               0.00001040796566
                   +0 :               0.00000840404697
                   +1 :              -0.00000572474653
                3d
                   -2 :               0.00001102766600
                   -1 :              -0.00000928063501
                   +0 :               0.00002207119094
                   +1 :               0.00000001853448
                   +2 :               0.00002959062379
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al( 11)  npairs=  15
              1 vec=    -2.802933      1.376312    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00051578394657
                2p
                   -1 :              -0.00024257974422
                   +0 :               0.00036684145361
                   +1 :               0.00050095628442
                3s
                   +0 :              -0.00097814264101
                4s
                   +0 :              -0.00001757880873
                3p
                   -1 :               0.00230580943743
                   +0 :              -0.00033082500358
                   +1 :              -0.00254451654946
                4p
                   -1 :              -0.00038702554768
                   +0 :               0.00014531914257
                   +1 :               0.00045476270293
                3d
                   -2 :              -0.00002218654799
                   -1 :              -0.00016680418826
                   +0 :              -0.00004005532022
                   +1 :               0.00025086240317
                   +2 :               0.00037675169240
              2 vec=     4.977229     -3.115567    -10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00037094760717
                2p
                   -1 :               0.00003549414057
                   +0 :              -0.00003130477656
                   +1 :               0.00004534830384
                3s
                   +0 :              -0.00269694044223
                4s
                   +0 :               0.00057262602215
                3p
                   -1 :              -0.00083886731942
                   +0 :               0.00051763852803
                   +1 :              -0.00109131864166
                4p
                   -1 :              -0.00008579065678
                   +0 :              -0.00017359005295
                   +1 :               0.00002397965358
                3d
                   -2 :              -0.00072233679775
                   -1 :               0.00030997030663
                   +0 :               0.00036646883456
                   +1 :              -0.00010425262251
                   +2 :              -0.00000905053014
              3 vec=     4.977229      5.868191    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00003213469467
                2p
                   -1 :               0.00001082926470
                   +0 :              -0.00006514183980
                   +1 :               0.00021632660023
                3s
                   +0 :               0.00045246425662
                4s
                   +0 :               0.00004406365545
                3p
                   -1 :              -0.00008065167708
                   +0 :               0.00089042607789
                   +1 :              -0.00331139077580
                4p
                   -1 :               0.00002880565228
                   +0 :              -0.00013712887968
                   +1 :               0.00017585203777
                3d
                   -2 :              -0.00063703990788
                   -1 :               0.00027875224010
                   +0 :              -0.00047823729206
                   +1 :               0.00069165111884
                   +2 :               0.00032185492782
              4 vec=    -2.802933     -7.607446    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00015264999821
                2p
                   -1 :               0.00002183125040
                   +0 :               0.00004629814490
                   +1 :               0.00004504248806
                3s
                   +0 :              -0.00256410210779
                4s
                   +0 :               0.00034962504195
                3p
                   -1 :               0.00126442859460
                   +0 :               0.00086647465335
                   +1 :              -0.00020246501515
                4p
                   -1 :              -0.00005277047364
                   +0 :              -0.00004671736576
                   +1 :              -0.00000553089318
                3d
                   -2 :               0.00011257426226
                   -1 :              -0.00042281277080
                   +0 :              -0.00030073335211
                   +1 :               0.00017962536284
                   +2 :               0.00033717001703
              5 vec=    -2.802933      1.376312     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00003542357140
                2p
                   -1 :               0.00011886016299
                   +0 :              -0.00002139809136
                   +1 :              -0.00003557840945
                3s
                   +0 :               0.00014785369981
                4s
                   +0 :              -0.00007217507506
                3p
                   -1 :              -0.00054673971698
                   +0 :               0.00008694097146
                   +1 :               0.00029961609734
                4p
                   -1 :               0.00009891868332
                   +0 :              -0.00003899490035
                   +1 :              -0.00003016497157
                3d
                   -2 :               0.00003451219140
                   -1 :              -0.00012776462075
                   +0 :              -0.00000576219301
                   +1 :              -0.00000124381652
                   +2 :               0.00008328504464
              6 vec=     4.977229     -3.115567     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00015740702519
                2p
                   -1 :               0.00007454858896
                   +0 :              -0.00000266656398
                   +1 :              -0.00012008556414
                3s
                   +0 :               0.00030701525892
                4s
                   +0 :              -0.00004256233035
                3p
                   -1 :              -0.00021586158539
                   +0 :              -0.00012955152374
                   +1 :               0.00042292861216
                4p
                   -1 :              -0.00001438366998
                   +0 :               0.00002622092624
                   +1 :              -0.00004634348982
                3d
                   -2 :              -0.00011616909083
                   -1 :              -0.00002566468301
                   +0 :              -0.00010363122199
                   +1 :              -0.00000609237648
                   +2 :               0.00009957264383
              7 vec=    -2.802933     10.360070    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00005834178267
                2p
                   -1 :               0.00000576717128
                   +0 :               0.00002326423450
                   +1 :               0.00003228835681
                3s
                   +0 :              -0.00056555028245
                4s
                   +0 :               0.00008787394860
                3p
                   -1 :              -0.00005808287123
                   +0 :              -0.00022120405097
                   +1 :              -0.00013039570106
                4p
                   -1 :              -0.00001772150688
                   +0 :               0.00004806075901
                   +1 :               0.00001527124318
                3d
                   -2 :              -0.00000644397652
                   -1 :              -0.00005283470722
                   +0 :              -0.00011856643858
                   +1 :              -0.00002840177109
                   +2 :              -0.00002151811452
              8 vec=   -10.583096     -3.115567    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00005239788678
                2p
                   -1 :              -0.00001055121375
                   +0 :               0.00003265190083
                   +1 :               0.00002108460919
                3s
                   +0 :              -0.00029878948958
                4s
                   +0 :              -0.00001894812989
                3p
                   -1 :               0.00002875982484
                   +0 :              -0.00023574241273
                   +1 :              -0.00009390416128
                4p
                   -1 :               0.00002303691794
                   +0 :               0.00009290877529
                   +1 :               0.00005306805375
                3d
                   -2 :               0.00005605047785
                   -1 :              -0.00004222371066
                   +0 :               0.00000151754417
                   +1 :               0.00006422747647
                   +2 :               0.00003812930692
              9 vec=     4.977229      5.868191     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00010330279795
                2p
                   -1 :               0.00001247756573
                   +0 :              -0.00001983404953
                   +1 :              -0.00004039616439
                3s
                   +0 :               0.00048892887076
                4s
                   +0 :              -0.00015744537612
                3p
                   -1 :               0.00020437851436
                   +0 :               0.00021877282214
                   +1 :               0.00021887886060
                4p
                   -1 :              -0.00001448913929
                   +0 :              -0.00008850185298
                   +1 :              -0.00004902036686
                3d
                   -2 :              -0.00002005172999
                   -1 :               0.00003523730185
                   +0 :               0.00001567406117
                   +1 :               0.00004681460829
                   +2 :              -0.00006464084625
             10 vec=    -2.802933     -7.607446     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00003389767232
                2p
                   -1 :               0.00001078791481
                   +0 :               0.00001018870426
                   +1 :              -0.00003345180762
                3s
                   +0 :               0.00038324050514
                4s
                   +0 :              -0.00008722586214
                3p
                   -1 :              -0.00021623861985
                   +0 :               0.00017785589836
                   +1 :              -0.00008215590608
                4p
                   -1 :               0.00002825478281
                   +0 :              -0.00009502541967
                   +1 :              -0.00007122791835
                3d
                   -2 :               0.00012565268672
                   -1 :              -0.00002074037042
                   +0 :               0.00001252681829
                   +1 :               0.00007436492914
                   +2 :               0.00000293751394
             11 vec=   -10.583096      5.868191    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00013359499426
                2p
                   -1 :              -0.00002107715914
                   +0 :               0.00007521183563
                   +1 :               0.00007492956153
                3s
                   +0 :               0.00014119493499
                4s
                   +0 :              -0.00020860226730
                3p
                   -1 :               0.00008364400240
                   +0 :              -0.00028970260023
                   +1 :              -0.00029160375419
                4p
                   -1 :              -0.00003473423959
                   +0 :               0.00013667161291
                   +1 :               0.00008473069810
                3d
                   -2 :               0.00000684758826
                   -1 :              -0.00001318156369
                   +0 :               0.00001186554512
                   +1 :               0.00005155512632
                   +2 :               0.00002223868588
             12 vec=    12.757392      1.376312    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00012765476235
                2p
                   -1 :               0.00004027389406
                   +0 :              -0.00000572261387
                   +1 :               0.00001488734402
                3s
                   +0 :               0.00121380612353
                4s
                   +0 :              -0.00022261546484
                3p
                   -1 :              -0.00020731422160
                   +0 :               0.00008957879057
                   +1 :               0.00013948784856
                4p
                   -1 :               0.00004959461884
                   +0 :              -0.00000927832806
                   +1 :               0.00001021327665
                3d
                   -2 :               0.00001153753832
                   -1 :              -0.00008862661053
                   +0 :               0.00018742242531
                   +1 :               0.00000386199001
                   +2 :              -0.00007270783712
             13 vec=     4.977229    -12.099325    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00007393390905
                2p
                   -1 :              -0.00002315995008
                   +0 :              -0.00001602762159
                   +1 :              -0.00000760288897
                3s
                   +0 :              -0.00042303469827
                4s
                   +0 :               0.00005114174945
                3p
                   -1 :               0.00004195008272
                   +0 :               0.00007611320282
                   +1 :               0.00004076027789
                4p
                   -1 :               0.00000548349699
                   +0 :               0.00000637464858
                   +1 :              -0.00001578915912
                3d
                   -2 :              -0.00000380417816
                   -1 :              -0.00002067898291
                   +0 :              -0.00004730639024
                   +1 :              -0.00001177127876
                   +2 :              -0.00001492367987
             14 vec=    -2.802933     10.360070     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00003258605432
                2p
                   -1 :               0.00004634120260
                   +0 :               0.00002062098569
                   +1 :               0.00000403048869
                3s
                   +0 :               0.00040770370302
                4s
                   +0 :               0.00003408184171
                3p
                   -1 :               0.00028142700275
                   +0 :               0.00003741886555
                   +1 :               0.00003403801581
                4p
                   -1 :               0.00003424954660
                   +0 :               0.00001156394732
                   +1 :              -0.00001656908325
                3d
                   -2 :               0.00000927965109
                   -1 :               0.00005678428427
                   +0 :              -0.00006430568911
                   +1 :               0.00000586599730
                   +2 :              -0.00012082517214
             15 vec=   -10.583096     -3.115567     13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00000123755129
                2p
                   -1 :               0.00001446299655
                   +0 :               0.00000626879195
                   +1 :              -0.00002799363677
                3s
                   +0 :               0.00044332099229
                4s
                   +0 :              -0.00003530224274
                3p
                   -1 :              -0.00011777342860
                   +0 :               0.00008477922704
                   +1 :              -0.00013999245183
                4p
                   -1 :               0.00003866341918
                   +0 :              -0.00002355838838
                   +1 :              -0.00003072587869
                3d
                   -2 :              -0.00001356784165
                   -1 :               0.00000858275202
                   +0 :              -0.00003119192528
                   +1 :              -0.00002021668525
                   +2 :               0.00004682320153
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site Al( 12)  npairs=  13
              1 vec=    -2.802933      1.376312      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00198579981402
                2p
                   -1 :              -0.00072381469346
                   +0 :              -0.00131111383163
                   +1 :               0.00081313373370
                3s
                   +0 :               0.00783118151564
                4s
                   +0 :              -0.00283708201317
                3p
                   -1 :               0.00307351764450
                   +0 :              -0.00103560725281
                   +1 :               0.00070914670010
                4p
                   -1 :              -0.00055062841190
                   +0 :              -0.00167938256099
                   +1 :              -0.00021408890989
                3d
                   -2 :               0.00360455256874
                   -1 :              -0.00078177191430
                   +0 :              -0.00339508440617
                   +1 :               0.00279991044399
                   +2 :              -0.00172752472532
              2 vec=     4.977229     -3.115567      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00129596491003
                2p
                   -1 :              -0.00027997738984
                   +0 :               0.00011424601346
                   +1 :              -0.00012978174398
                3s
                   +0 :               0.01848866799219
                4s
                   +0 :              -0.00041470417956
                3p
                   -1 :              -0.00426915921370
                   +0 :               0.00961178144797
                   +1 :               0.01137746250013
                4p
                   -1 :              -0.00053274249184
                   +0 :               0.00048925719628
                   +1 :              -0.00004068051092
                3d
                   -2 :              -0.00263313960053
                   -1 :              -0.00222887669249
                   +0 :               0.00104986302731
                   +1 :               0.00437047716021
                   +2 :               0.00153923889116
              3 vec=     4.977229      5.868191      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00100547660238
                2p
                   -1 :               0.00012698428538
                   +0 :               0.00046396662242
                   +1 :              -0.00067204289619
                3s
                   +0 :              -0.00166649419815
                4s
                   +0 :              -0.00058805601149
                3p
                   -1 :               0.00103233929924
                   +0 :              -0.00186587143483
                   +1 :               0.00353674119487
                4p
                   -1 :              -0.00061660571066
                   +0 :              -0.00013124469181
                   +1 :              -0.00123919883757
                3d
                   -2 :               0.00149332260279
                   -1 :              -0.00013304042541
                   +0 :               0.00047253734729
                   +1 :               0.00029959354573
                   +2 :               0.00022947826997
              4 vec=    -2.802933     -7.607446      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00061539772193
                2p
                   -1 :               0.00022778811595
                   +0 :               0.00001014177478
                   +1 :              -0.00001309092089
                3s
                   +0 :               0.00339778980350
                4s
                   +0 :              -0.00111265444984
                3p
                   -1 :              -0.00214921115232
                   +0 :              -0.00050106823777
                   +1 :              -0.00066948338307
                4p
                   -1 :               0.00076198384542
                   +0 :               0.00010002997677
                   +1 :               0.00022075043906
                3d
                   -2 :               0.00042089244519
                   -1 :              -0.00004967939925
                   +0 :               0.00039855617870
                   +1 :               0.00010328960081
                   +2 :              -0.00023114046349
              5 vec=    -2.802933     10.360070      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00022229384906
                2p
                   -1 :              -0.00007008837367
                   +0 :              -0.00012379032594
                   +1 :              -0.00001445465357
                3s
                   +0 :               0.00006853808945
                4s
                   +0 :               0.00008473725103
                3p
                   -1 :              -0.00029924486161
                   +0 :               0.00074706480664
                   +1 :               0.00050851204875
                4p
                   -1 :               0.00019526320284
                   +0 :              -0.00008190974599
                   +1 :              -0.00014378626030
                3d
                   -2 :               0.00016522326139
                   -1 :               0.00017735289111
                   +0 :               0.00027342936092
                   +1 :               0.00008314639179
                   +2 :               0.00011459760696
              6 vec=   -10.583096     -3.115567      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00037895531722
                2p
                   -1 :              -0.00004213812225
                   +0 :               0.00010270499956
                   +1 :              -0.00020453658316
                3s
                   +0 :              -0.00090646273957
                4s
                   +0 :               0.00037229456710
                3p
                   -1 :               0.00015061642318
                   +0 :              -0.00039895202036
                   +1 :               0.00125243632227
                4p
                   -1 :              -0.00006171640036
                   +0 :               0.00015407109520
                   +1 :              -0.00019668255884
                3d
                   -2 :              -0.00007114871363
                   -1 :               0.00009120348167
                   +0 :               0.00010258381751
                   +1 :               0.00012851785076
                   +2 :              -0.00013160745211
              7 vec=   -10.583096      5.868191      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00009239721093
                2p
                   -1 :              -0.00000326179135
                   +0 :               0.00007079141634
                   +1 :              -0.00001930101221
                3s
                   +0 :               0.00009760322214
                4s
                   +0 :               0.00012461208709
                3p
                   -1 :               0.00013193770906
                   +0 :              -0.00051997725343
                   +1 :              -0.00014168670379
                4p
                   -1 :               0.00006593944795
                   +0 :               0.00010534773723
                   +1 :              -0.00001455764508
                3d
                   -2 :              -0.00005959959841
                   -1 :               0.00001288424345
                   +0 :               0.00004963240125
                   +1 :               0.00009856911219
                   +2 :               0.00004316340598
              8 vec=    12.757392      1.376312      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00019228649802
                2p
                   -1 :              -0.00002619791276
                   +0 :              -0.00002361250494
                   +1 :               0.00004684723605
                3s
                   +0 :              -0.00081363400884
                4s
                   +0 :               0.00026161515283
                3p
                   -1 :               0.00026662191218
                   +0 :               0.00013079494629
                   +1 :              -0.00025906678435
                4p
                   -1 :              -0.00004328227473
                   +0 :               0.00003466926430
                   +1 :               0.00005249511326
                3d
                   -2 :               0.00012047225951
                   -1 :               0.00001533221886
                   +0 :              -0.00013504589372
                   +1 :               0.00000589615376
                   +2 :               0.00005972840631
              9 vec=     4.977229    -12.099325      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00003374674757
                2p
                   -1 :              -0.00003397186478
                   +0 :              -0.00000147076151
                   +1 :              -0.00002582708528
                3s
                   +0 :              -0.00017061456047
                4s
                   +0 :              -0.00008933922599
                3p
                   -1 :               0.00023924468902
                   +0 :               0.00011646926110
                   +1 :              -0.00003052172037
                4p
                   -1 :              -0.00000227757638
                   +0 :              -0.00004587814501
                   +1 :               0.00001836169193
                3d
                   -2 :               0.00000143225074
                   -1 :              -0.00002322126375
                   +0 :              -0.00000280544073
                   +1 :              -0.00001546983266
                   +2 :               0.00003385495206
             10 vec=    12.757392     -7.607446      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00006286755218
                2p
                   -1 :               0.00001352335756
                   +0 :              -0.00003040048359
                   +1 :              -0.00000130204722
                3s
                   +0 :               0.00002653810106
                4s
                   +0 :              -0.00000698120884
                3p
                   -1 :              -0.00009114026565
                   +0 :               0.00010640727730
                   +1 :              -0.00006721090277
                4p
                   -1 :               0.00000406093848
                   +0 :              -0.00003090448016
                   +1 :               0.00004621190222
                3d
                   -2 :              -0.00001672163323
                   -1 :               0.00000295438533
                   +0 :               0.00000032711618
                   +1 :               0.00001456875061
                   +2 :               0.00000180693958
             11 vec=     4.977229     14.851949      6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00003935879444
                2p
                   -1 :               0.00001623342217
                   +0 :               0.00003486160418
                   +1 :               0.00000417563396
                3s
                   +0 :              -0.00032934003581
                4s
                   +0 :               0.00011612048005
                3p
                   -1 :              -0.00011958272959
                   +0 :              -0.00017930734183
                   +1 :               0.00000929284402
                4p
                   -1 :               0.00006000003207
                   +0 :               0.00004071524264
                   +1 :               0.00000567968953
                3d
                   -2 :               0.00002604473053
                   -1 :              -0.00003637456418
                   +0 :              -0.00002410456669
                   +1 :              -0.00001676365641
                   +2 :               0.00000433140342
             12 vec=   -10.583096    -12.099325      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00005976096606
                2p
                   -1 :              -0.00003106175849
                   +0 :              -0.00004444086988
                   +1 :               0.00001587553177
                3s
                   +0 :               0.00047005291065
                4s
                   +0 :              -0.00007861293684
                3p
                   -1 :               0.00010066782826
                   +0 :               0.00024952157417
                   +1 :              -0.00014721868381
                4p
                   -1 :              -0.00004251298346
                   +0 :              -0.00004057171519
                   +1 :               0.00001969780534
                3d
                   -2 :              -0.00000205431568
                   -1 :              -0.00003340048875
                   +0 :               0.00005024473014
                   +1 :              -0.00004437526695
                   +2 :               0.00004060407250
             13 vec=    12.757392     10.360070      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00001593391591
                2p
                   -1 :               0.00000271839113
                   +0 :               0.00002539817547
                   +1 :              -0.00003398287341
                3s
                   +0 :               0.00013861467007
                4s
                   +0 :              -0.00010398676344
                3p
                   -1 :               0.00004834083700
                   +0 :              -0.00002822546254
                   +1 :               0.00016977916948
                4p
                   -1 :              -0.00001522099786
                   +0 :              -0.00000958948377
                   +1 :              -0.00008346161555
                3d
                   -2 :               0.00001645223240
                   -1 :               0.00001707177409
                   +0 :               0.00001375513511
                   +1 :              -0.00004271187147
                   +2 :               0.00001679983886
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 13)  npairs=  12
              1 vec=     4.767684      0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00137384314136
                2s
                   +0 :              -0.00390556049808
                3s
                   +0 :               0.00197473811318
                2p
                   -1 :               0.00130786361855
                   +0 :              -0.00959918560204
                   +1 :               0.00299974819618
                3p
                   -1 :              -0.00170640531884
                   +0 :              -0.00225765176997
                   +1 :               0.00345700659001
                3d
                   -2 :               0.00048030590049
                   -1 :               0.00074747108464
                   +0 :              -0.00062827769275
                   +1 :              -0.00271245018377
                   +2 :               0.00048739977606
              2 vec=    -3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00193087289053
                2s
                   +0 :               0.01147825901857
                3s
                   +0 :              -0.00450862888308
                2p
                   -1 :              -0.00619663129013
                   +0 :              -0.00640033309947
                   +1 :              -0.00797314696210
                3p
                   -1 :               0.00256043779676
                   +0 :               0.00002987197309
                   +1 :               0.00473448217045
                3d
                   -2 :              -0.00018305907267
                   -1 :               0.00078301315103
                   +0 :               0.00024168696955
                   +1 :               0.00076562419151
                   +2 :              -0.00024825865313
              3 vec=    -3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00222486636647
                2s
                   +0 :              -0.01526721703398
                3s
                   +0 :               0.00599507952400
                2p
                   -1 :              -0.00560519546016
                   +0 :              -0.00213516992689
                   +1 :               0.00334188851317
                3p
                   -1 :               0.00349300229799
                   +0 :              -0.00354960496249
                   +1 :              -0.00118876880630
                3d
                   -2 :               0.00009457961616
                   -1 :              -0.00075496320142
                   +0 :              -0.00036578436601
                   +1 :               0.00014075854421
                   +2 :              -0.00037520568341
              4 vec=     4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00011295423952
                2s
                   +0 :              -0.00004424422095
                3s
                   +0 :               0.00056849684703
                2p
                   -1 :              -0.00031328928950
                   +0 :               0.00012675909089
                   +1 :               0.00038998072565
                3p
                   -1 :              -0.00018765502048
                   +0 :              -0.00045102867973
                   +1 :               0.00008470489609
                3d
                   -2 :              -0.00005169527967
                   -1 :               0.00007162266057
                   +0 :               0.00007954830444
                   +1 :               0.00003698409395
                   +2 :              -0.00004493173645
              5 vec=     4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00008271093655
                2s
                   +0 :              -0.00141420604413
                3s
                   +0 :              -0.00009998941264
                2p
                   -1 :              -0.00092861977520
                   +0 :               0.00060524447760
                   +1 :              -0.00103982517103
                3p
                   -1 :               0.00012155661498
                   +0 :              -0.00029518515100
                   +1 :               0.00039510921863
                3d
                   -2 :              -0.00001517043373
                   -1 :               0.00002978456252
                   +0 :               0.00013332281279
                   +1 :               0.00000623040917
                   +2 :               0.00006846810370
              6 vec=   -10.792642     -0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00028750867654
                2s
                   +0 :               0.00197099709778
                3s
                   +0 :              -0.00070648935150
                2p
                   -1 :               0.00036055758183
                   +0 :               0.00008186703465
                   +1 :              -0.00180631382416
                3p
                   -1 :              -0.00006486190236
                   +0 :              -0.00058225211243
                   +1 :               0.00098866706782
                3d
                   -2 :               0.00002602532387
                   -1 :               0.00003313936139
                   +0 :              -0.00001659753549
                   +1 :               0.00002351816179
                   +2 :              -0.00002587699849
              7 vec=    12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00001480647630
                2s
                   +0 :               0.00010023369650
                3s
                   +0 :              -0.00007095442085
                2p
                   -1 :              -0.00053118696099
                   +0 :              -0.00017826238617
                   +1 :               0.00034139975835
                3p
                   -1 :               0.00036974973011
                   +0 :               0.00018711191566
                   +1 :              -0.00026425463617
                3d
                   -2 :               0.00000873546307
                   -1 :              -0.00002661453852
                   +0 :               0.00003494796297
                   +1 :               0.00003235048902
                   +2 :               0.00002246231299
              8 vec=    12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00011078794182
                2s
                   +0 :               0.00092935373809
                3s
                   +0 :              -0.00017947893354
                2p
                   -1 :              -0.00024715203139
                   +0 :               0.00003097830230
                   +1 :               0.00028794789106
                3p
                   -1 :               0.00045054892718
                   +0 :               0.00038079403008
                   +1 :              -0.00019222115356
                3d
                   -2 :               0.00005252686034
                   -1 :               0.00007578194802
                   +0 :               0.00003340078542
                   +1 :               0.00001091218252
                   +2 :              -0.00000764414700
              9 vec=    -3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00002570080655
                2s
                   +0 :               0.00016850904220
                3s
                   +0 :              -0.00006784430184
                2p
                   -1 :              -0.00010577058758
                   +0 :               0.00000973162901
                   +1 :               0.00013373075434
                3p
                   -1 :               0.00002497467991
                   +0 :              -0.00011842210922
                   +1 :              -0.00003302477766
                3d
                   -2 :              -0.00000593496988
                   -1 :               0.00000674020966
                   +0 :              -0.00001496507829
                   +1 :               0.00000566901480
                   +2 :               0.00000569158506
             10 vec=    -3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00014840290192
                2s
                   +0 :              -0.00126202994623
                3s
                   +0 :               0.00026858441143
                2p
                   -1 :              -0.00065531336624
                   +0 :               0.00016272351252
                   +1 :               0.00021570783760
                3p
                   -1 :               0.00023854307632
                   +0 :              -0.00021816986968
                   +1 :              -0.00005509358932
                3d
                   -2 :              -0.00000591575044
                   -1 :              -0.00002345018035
                   +0 :              -0.00000690441222
                   +1 :              -0.00000191845203
                   +2 :               0.00001234835928
             11 vec=   -10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00003690564671
                2s
                   +0 :               0.00032169310015
                3s
                   +0 :              -0.00003959625879
                2p
                   -1 :              -0.00016808480338
                   +0 :              -0.00007097957337
                   +1 :              -0.00010844061560
                3p
                   -1 :               0.00006771739269
                   +0 :              -0.00006729222322
                   +1 :              -0.00004108385931
                3d
                   -2 :               0.00001647338254
                   -1 :               0.00000074333534
                   +0 :              -0.00001485613684
                   +1 :              -0.00000163763068
                   +2 :               0.00000581557806
             12 vec=   -10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00000111545162
                2s
                   +0 :              -0.00006701712176
                3s
                   +0 :              -0.00008554291007
                2p
                   -1 :               0.00039879700887
                   +0 :              -0.00010813559136
                   +1 :              -0.00003770163008
                3p
                   -1 :              -0.00029139681778
                   +0 :               0.00001078941003
                   +1 :               0.00009064870291
                3d
                   -2 :               0.00001172810969
                   -1 :              -0.00001739759722
                   +0 :               0.00002656271057
                   +1 :              -0.00001263214512
                   +2 :               0.00000740161125
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 14)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00434614198645
                2s
                   +0 :               0.05850856504506
                3s
                   +0 :              -0.00622624650096
                2p
                   -1 :              -0.04157095367827
                   +0 :               0.90304062187087
                   +1 :              -0.00227850794273
                3p
                   -1 :               0.01493304213830
                   +0 :              -0.04423383564079
                   +1 :              -0.00087188687691
                3d
                   -2 :              -0.00015379175807
                   -1 :               0.00001263253057
                   +0 :               0.00204537396532
                   +1 :               0.00094761893151
                   +2 :               0.00254969600040
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00012912438254
                2s
                   +0 :               0.00154687440352
                3s
                   +0 :              -0.00015283394201
                2p
                   -1 :              -0.00012714225423
                   +0 :               0.00037985682121
                   +1 :              -0.00039116567678
                3p
                   -1 :               0.00011615362281
                   +0 :              -0.00022694911034
                   +1 :               0.00008387492795
                3d
                   -2 :              -0.00004906142846
                   -1 :              -0.00008395146730
                   +0 :               0.00003513022388
                   +1 :              -0.00001034790575
                   +2 :              -0.00001536415773
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00036923180724
                2s
                   +0 :              -0.00256581276923
                3s
                   +0 :               0.00149697149807
                2p
                   -1 :              -0.00035776391811
                   +0 :               0.00070243051824
                   +1 :               0.00278699331841
                3p
                   -1 :               0.00083118964775
                   +0 :              -0.00052231700974
                   +1 :              -0.00244719685448
                3d
                   -2 :              -0.00016488125430
                   -1 :              -0.00001931215065
                   +0 :              -0.00005842423542
                   +1 :               0.00013444742403
                   +2 :               0.00012857686241
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00007381676015
                2s
                   +0 :               0.00068988719056
                3s
                   +0 :              -0.00053232173611
                2p
                   -1 :              -0.00069795161471
                   +0 :               0.00029465894416
                   +1 :               0.00077475383424
                3p
                   -1 :               0.00086936426272
                   +0 :              -0.00040773522414
                   +1 :              -0.00070138825678
                3d
                   -2 :               0.00004327085477
                   -1 :               0.00006284705181
                   +0 :              -0.00000085986609
                   +1 :               0.00001033112545
                   +2 :               0.00018013196615
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00013015030261
                2s
                   +0 :              -0.00185444561912
                3s
                   +0 :              -0.00021421958612
                2p
                   -1 :              -0.00002069594703
                   +0 :               0.00007793546036
                   +1 :              -0.00035308889301
                3p
                   -1 :              -0.00070389923391
                   +0 :               0.00031755913659
                   +1 :               0.00050686437282
                3d
                   -2 :               0.00015924562316
                   -1 :               0.00017500585992
                   +0 :               0.00003093008261
                   +1 :              -0.00009108992578
                   +2 :              -0.00000502062406
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00023541130526
                2s
                   +0 :              -0.00218816954144
                3s
                   +0 :               0.00038564771897
                2p
                   -1 :               0.00107172832472
                   +0 :               0.00048417956497
                   +1 :              -0.00143479861770
                3p
                   -1 :              -0.00048701174798
                   +0 :               0.00009266550797
                   +1 :               0.00080975557834
                3d
                   -2 :               0.00010694429677
                   -1 :              -0.00011232734609
                   +0 :               0.00004866373412
                   +1 :               0.00011157713501
                   +2 :               0.00002067325520
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008644671294
                2s
                   +0 :              -0.00078096131593
                3s
                   +0 :               0.00025602885108
                2p
                   -1 :              -0.00231005192462
                   +0 :              -0.00030114590171
                   +1 :              -0.00084177593260
                3p
                   -1 :               0.00186939421689
                   +0 :               0.00117653735918
                   +1 :              -0.00008307242496
                3d
                   -2 :               0.00003727745016
                   -1 :               0.00009109352075
                   +0 :               0.00008593547983
                   +1 :               0.00012482735739
                   +2 :              -0.00005576961765
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000315009479
                2s
                   +0 :               0.00021002983797
                3s
                   +0 :               0.00001183447516
                2p
                   -1 :              -0.00003996156728
                   +0 :               0.00014168553350
                   +1 :              -0.00020080287027
                3p
                   -1 :               0.00003908772427
                   +0 :              -0.00013447344759
                   +1 :               0.00006173697694
                3d
                   -2 :              -0.00000645027568
                   -1 :              -0.00000427612933
                   +0 :               0.00001401389231
                   +1 :               0.00001567224488
                   +2 :               0.00000149049936
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004997786414
                2s
                   +0 :               0.00047423441624
                3s
                   +0 :              -0.00007466283408
                2p
                   -1 :              -0.00014417616262
                   +0 :               0.00002932811667
                   +1 :              -0.00010927812112
                3p
                   -1 :              -0.00004208663506
                   +0 :              -0.00002804051158
                   +1 :               0.00001750363810
                3d
                   -2 :               0.00000684960267
                   -1 :              -0.00000433259792
                   +0 :              -0.00000446556352
                   +1 :              -0.00000159238954
                   +2 :              -0.00000663088329
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003194067568
                2s
                   +0 :              -0.00037996962643
                3s
                   +0 :               0.00000220362003
                2p
                   -1 :               0.00001759080668
                   +0 :              -0.00008871642543
                   +1 :              -0.00000547455819
                3p
                   -1 :              -0.00013177366786
                   +0 :              -0.00002182092021
                   +1 :               0.00009127637552
                3d
                   -2 :               0.00003229465119
                   -1 :               0.00000468003878
                   +0 :               0.00000980767319
                   +1 :               0.00000526649156
                   +2 :               0.00001534861771
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001779662315
                2s
                   +0 :               0.00009040061668
                3s
                   +0 :              -0.00003596668364
                2p
                   -1 :               0.00001773818443
                   +0 :              -0.00016506406597
                   +1 :               0.00025453869352
                3p
                   -1 :              -0.00009074648969
                   +0 :               0.00004490579555
                   +1 :              -0.00011633761941
                3d
                   -2 :              -0.00000907282235
                   -1 :              -0.00000234570285
                   +0 :              -0.00000734313138
                   +1 :              -0.00000248791572
                   +2 :              -0.00001462419564
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005328074611
                2s
                   +0 :              -0.00045723433223
                3s
                   +0 :               0.00009483763437
                2p
                   -1 :              -0.00018122186409
                   +0 :               0.00012002285791
                   +1 :              -0.00014100068986
                3p
                   -1 :               0.00001418038528
                   +0 :               0.00000920552157
                   +1 :              -0.00007381959077
                3d
                   -2 :              -0.00002733122374
                   -1 :               0.00000772323897
                   +0 :               0.00001202240803
                   +1 :              -0.00001631189500
                   +2 :               0.00000391696174
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000239322962
                2s
                   +0 :               0.00002395561236
                3s
                   +0 :               0.00006113380318
                2p
                   -1 :              -0.00012459468794
                   +0 :               0.00013180824355
                   +1 :              -0.00026137161180
                3p
                   -1 :              -0.00001553520436
                   +0 :               0.00006002028120
                   +1 :               0.00029847946780
                3d
                   -2 :              -0.00002280887570
                   -1 :              -0.00002085473686
                   +0 :               0.00000167204649
                   +1 :               0.00001629438129
                   +2 :               0.00000076004995
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001898328418
                2s
                   +0 :               0.00019711078936
                3s
                   +0 :              -0.00001779960861
                2p
                   -1 :              -0.00003322103488
                   +0 :               0.00002027150719
                   +1 :              -0.00003217958755
                3p
                   -1 :              -0.00000800599764
                   +0 :              -0.00002272467719
                   +1 :              -0.00001526157505
                3d
                   -2 :              -0.00000081707165
                   -1 :              -0.00000601170909
                   +0 :               0.00000069146334
                   +1 :               0.00000078101106
                   +2 :              -0.00000132821037
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000201957251
                2s
                   +0 :              -0.00003564181525
                3s
                   +0 :               0.00000019474968
                2p
                   -1 :               0.00002592299455
                   +0 :               0.00001455857768
                   +1 :               0.00000406286637
                3p
                   -1 :              -0.00001749659846
                   +0 :              -0.00002102579850
                   +1 :              -0.00000134530243
                3d
                   -2 :               0.00000650452692
                   -1 :              -0.00000126821406
                   +0 :              -0.00000286784415
                   +1 :              -0.00000362608598
                   +2 :              -0.00000090792044
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000285479155
                2s
                   +0 :               0.00002619494709
                3s
                   +0 :              -0.00001371906946
                2p
                   -1 :              -0.00004716637890
                   +0 :              -0.00003734612335
                   +1 :               0.00003801841579
                3p
                   -1 :               0.00002439320493
                   +0 :               0.00001141280665
                   +1 :              -0.00002602473415
                3d
                   -2 :              -0.00000050049771
                   -1 :               0.00000028878683
                   +0 :               0.00000064899390
                   +1 :              -0.00000266471240
                   +2 :               0.00000037905911
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002037496068
                2s
                   +0 :              -0.00020473945731
                3s
                   +0 :               0.00004019968161
                2p
                   -1 :              -0.00010877212083
                   +0 :               0.00000513087728
                   +1 :              -0.00006108465797
                3p
                   -1 :               0.00003108120174
                   +0 :              -0.00000932579823
                   +1 :               0.00000607139670
                3d
                   -2 :              -0.00000433043153
                   -1 :               0.00000030439547
                   +0 :              -0.00000044534810
                   +1 :              -0.00000213474563
                   +2 :              -0.00000188986527
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001675838316
                2s
                   +0 :              -0.00013250564473
                3s
                   +0 :               0.00005182974705
                2p
                   -1 :              -0.00000550280122
                   +0 :              -0.00001230104291
                   +1 :              -0.00009744619766
                3p
                   -1 :              -0.00000767355408
                   +0 :               0.00002899644880
                   +1 :               0.00005032320023
                3d
                   -2 :              -0.00000416595908
                   -1 :               0.00000158220905
                   +0 :              -0.00000504828607
                   +1 :               0.00000047607807
                   +2 :               0.00000115171791
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00004195458721
                2s
                   +0 :               0.00034769117756
                3s
                   +0 :              -0.00009662879494
                2p
                   -1 :               0.00006492353575
                   +0 :               0.00001100438676
                   +1 :              -0.00006591822553
                3p
                   -1 :              -0.00001201112148
                   +0 :               0.00003230405323
                   +1 :               0.00009777589933
                3d
                   -2 :              -0.00000688727474
                   -1 :              -0.00000323563220
                   +0 :               0.00000668809499
                   +1 :               0.00000173234393
                   +2 :              -0.00000120341143
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 15)  npairs=  12
              1 vec=     2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00177485963362
                2s
                   +0 :              -0.00903474841238
                3s
                   +0 :               0.00246336586044
                2p
                   -1 :               0.00202702454060
                   +0 :              -0.01072007605231
                   +1 :               0.00042663001154
                3p
                   -1 :               0.00082441730855
                   +0 :              -0.00107330808607
                   +1 :               0.00037910568866
                3d
                   -2 :               0.00010750716754
                   -1 :              -0.00237433880201
                   +0 :              -0.00052648521407
                   +1 :              -0.00056903441159
                   +2 :               0.00037576831957
              2 vec=    -5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00099584734154
                2s
                   +0 :              -0.00403362605611
                3s
                   +0 :               0.00306705000977
                2p
                   -1 :               0.00493910277197
                   +0 :              -0.00742083064245
                   +1 :               0.00361288239866
                3p
                   -1 :              -0.00401900670004
                   +0 :               0.00082189501217
                   +1 :              -0.00421517271929
                3d
                   -2 :               0.00033842858932
                   -1 :               0.00035434981265
                   +0 :              -0.00069818386966
                   +1 :               0.00112428636492
                   +2 :               0.00044169209087
              3 vec=     2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00159539345712
                2s
                   +0 :               0.00902529479060
                3s
                   +0 :              -0.00477198696294
                2p
                   -1 :              -0.00973823716009
                   +0 :              -0.00282121686331
                   +1 :               0.00606706048842
                3p
                   -1 :               0.00583217950845
                   +0 :              -0.00291875405702
                   +1 :              -0.00287664425071
                3d
                   -2 :               0.00025767104118
                   -1 :               0.00044706112049
                   +0 :               0.00025288022554
                   +1 :              -0.00052458340460
                   +2 :              -0.00004312371095
              4 vec=    -5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00007604554620
                2s
                   +0 :              -0.00118622979568
                3s
                   +0 :               0.00013315425096
                2p
                   -1 :              -0.00167542249673
                   +0 :               0.00057382100902
                   +1 :               0.00086909034369
                3p
                   -1 :               0.00117714992502
                   +0 :              -0.00063758721478
                   +1 :              -0.00033160639464
                3d
                   -2 :               0.00001806195521
                   -1 :              -0.00001524280823
                   +0 :              -0.00011974681910
                   +1 :               0.00009659741243
                   +2 :              -0.00011457693048
              5 vec=    10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00000200103479
                2s
                   +0 :               0.00005348688664
                3s
                   +0 :              -0.00013626092311
                2p
                   -1 :               0.00092100981259
                   +0 :              -0.00001047013721
                   +1 :               0.00074741191657
                3p
                   -1 :              -0.00097256090589
                   +0 :               0.00014257089663
                   +1 :              -0.00081693715755
                3d
                   -2 :              -0.00005770049539
                   -1 :              -0.00002835931176
                   +0 :               0.00003718596947
                   +1 :               0.00002175838404
                   +2 :              -0.00010634330401
              6 vec=    -5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00002267291654
                2s
                   +0 :               0.00052634318032
                3s
                   +0 :               0.00021096970029
                2p
                   -1 :              -0.00048094105356
                   +0 :              -0.00052715669424
                   +1 :              -0.00013147982844
                3p
                   -1 :              -0.00035383338606
                   +0 :              -0.00006115877553
                   +1 :              -0.00004897607361
                3d
                   -2 :               0.00003824705785
                   -1 :               0.00001684543226
                   +0 :              -0.00001387725538
                   +1 :              -0.00000362002719
                   +2 :              -0.00007640514919
              7 vec=     2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00002393890149
                2s
                   +0 :              -0.00019345142478
                3s
                   +0 :              -0.00005295579545
                2p
                   -1 :               0.00016824642920
                   +0 :               0.00025364125502
                   +1 :              -0.00004634234060
                3p
                   -1 :              -0.00017039958822
                   +0 :              -0.00010766039440
                   +1 :              -0.00001969436940
                3d
                   -2 :               0.00000332764848
                   -1 :              -0.00001775157832
                   +0 :               0.00003976076148
                   +1 :               0.00002252720356
                   +2 :              -0.00001024662083
              8 vec=    10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00007117417817
                2s
                   +0 :               0.00061952533588
                3s
                   +0 :              -0.00016501722971
                2p
                   -1 :               0.00059872082836
                   +0 :              -0.00012302445237
                   +1 :              -0.00011228942155
                3p
                   -1 :              -0.00048080837989
                   +0 :               0.00033322469582
                   +1 :               0.00010024896701
                3d
                   -2 :               0.00001060496162
                   -1 :               0.00002056190875
                   +0 :               0.00000379794366
                   +1 :               0.00003064682198
                   +2 :               0.00001109848413
              9 vec=   -13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00000343913644
                2s
                   +0 :              -0.00002186094365
                3s
                   +0 :              -0.00001533956167
                2p
                   -1 :              -0.00005622686257
                   +0 :               0.00003578607486
                   +1 :              -0.00016824790546
                3p
                   -1 :               0.00014473425590
                   +0 :              -0.00012356651103
                   +1 :               0.00020251935964
                3d
                   -2 :              -0.00001943265495
                   -1 :               0.00000745582949
                   +0 :               0.00001754524661
                   +1 :               0.00001108456750
                   +2 :              -0.00002507450496
             10 vec=    10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00003350526721
                2s
                   +0 :              -0.00052351745496
                3s
                   +0 :               0.00004177951039
                2p
                   -1 :               0.00021365611024
                   +0 :               0.00014728638256
                   +1 :               0.00018083317486
                3p
                   -1 :               0.00005066482590
                   +0 :              -0.00020171141155
                   +1 :              -0.00019758958105
                3d
                   -2 :               0.00002243338808
                   -1 :               0.00000587468376
                   +0 :               0.00000842907517
                   +1 :              -0.00000249354644
                   +2 :               0.00001329711011
             11 vec=   -13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00002010830420
                2s
                   +0 :               0.00031434517782
                3s
                   +0 :              -0.00002918696414
                2p
                   -1 :               0.00001266346033
                   +0 :              -0.00003518542836
                   +1 :              -0.00011364057032
                3p
                   -1 :              -0.00008770259384
                   +0 :              -0.00008361476264
                   +1 :              -0.00009052822516
                3d
                   -2 :              -0.00000622360532
                   -1 :               0.00000120274057
                   +0 :              -0.00001425207866
                   +1 :              -0.00000375058318
                   +2 :               0.00001632315715
             12 vec=     2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00003672831013
                2s
                   +0 :              -0.00028008376649
                3s
                   +0 :               0.00011543052228
                2p
                   -1 :               0.00011543711770
                   +0 :              -0.00021587144675
                   +1 :              -0.00023179953372
                3p
                   -1 :              -0.00016459393962
                   +0 :               0.00009157238087
                   +1 :               0.00018725893949
                3d
                   -2 :              -0.00000769194066
                   -1 :              -0.00000007172398
                   +0 :              -0.00001481311832
                   +1 :               0.00000497240695
                   +2 :              -0.00000750753678
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 16)  npairs=  14
              1 vec=     0.000000      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004302776676
                2s
                   +0 :              -0.00036950958293
                3s
                   +0 :              -0.00035396980165
                2p
                   -1 :               0.00089314855183
                   +0 :              -0.00056879428086
                   +1 :              -0.00074174395999
                3p
                   -1 :              -0.00074771991867
                   +0 :               0.00075555046627
                   +1 :               0.00026835579173
                3d
                   -2 :               0.00001031988782
                   -1 :               0.00003355729155
                   +0 :              -0.00000813365003
                   +1 :              -0.00000198093032
                   +2 :               0.00000035109500
              2 vec=     0.000000      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00004064094860
                2s
                   +0 :               0.00028658645882
                3s
                   +0 :               0.00012993109817
                2p
                   -1 :              -0.00062534538928
                   +0 :               0.00022523043152
                   +1 :               0.00059146540303
                3p
                   -1 :               0.00030158152916
                   +0 :              -0.00018336266452
                   +1 :              -0.00041364767729
                3d
                   -2 :              -0.00004236089754
                   -1 :               0.00000665905511
                   +0 :              -0.00003339406630
                   +1 :              -0.00000421254101
                   +2 :               0.00002012927874
              3 vec=     0.000000     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013434148540
                2s
                   +0 :              -0.00173129120305
                3s
                   +0 :               0.00016687205175
                2p
                   -1 :               0.00026570727000
                   +0 :               0.00086566654120
                   +1 :               0.00022111701841
                3p
                   -1 :              -0.00004482452173
                   +0 :               0.00001528416736
                   +1 :               0.00004787223228
                3d
                   -2 :              -0.00003622546262
                   -1 :              -0.00003033619652
                   +0 :              -0.00000858646311
                   +1 :              -0.00004890927622
                   +2 :              -0.00002943438498
              4 vec=     0.000000     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00018913944912
                2s
                   +0 :               0.00212811697510
                3s
                   +0 :              -0.00023449937584
                2p
                   -1 :              -0.00088693528431
                   +0 :               0.00114601863326
                   +1 :              -0.00015136024488
                3p
                   -1 :               0.00047331719249
                   +0 :               0.00010943531509
                   +1 :               0.00014313471244
                3d
                   -2 :               0.00002570138397
                   -1 :              -0.00001768142076
                   +0 :               0.00010824871287
                   +1 :              -0.00000495625818
                   +2 :               0.00001481420340
              5 vec=    -7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00008609515338
                2s
                   +0 :              -0.00077745635929
                3s
                   +0 :               0.00014906501698
                2p
                   -1 :               0.00013541760032
                   +0 :               0.00009875244072
                   +1 :               0.00020988454998
                3p
                   -1 :               0.00011288897702
                   +0 :               0.00003965570218
                   +1 :              -0.00007527521185
                3d
                   -2 :              -0.00002082030925
                   -1 :              -0.00002881199872
                   +0 :               0.00001251482799
                   +1 :               0.00000900637142
                   +2 :               0.00002558311690
              6 vec=    -7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00009225651173
                2s
                   +0 :               0.00117258272760
                3s
                   +0 :              -0.00012808150412
                2p
                   -1 :              -0.00079625151088
                   +0 :               0.00056138922822
                   +1 :              -0.00019847863339
                3p
                   -1 :               0.00024655935342
                   +0 :              -0.00012026836404
                   +1 :              -0.00001434268987
                3d
                   -2 :               0.00000933767441
                   -1 :              -0.00002029227013
                   +0 :              -0.00000016867764
                   +1 :              -0.00001251566882
                   +2 :              -0.00000742188279
              7 vec=     7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001315707614
                2s
                   +0 :              -0.00019033062828
                3s
                   +0 :               0.00002266823659
                2p
                   -1 :              -0.00002970024598
                   +0 :               0.00013514368254
                   +1 :              -0.00040843403395
                3p
                   -1 :               0.00001601822645
                   +0 :               0.00004345680533
                   +1 :               0.00009482984422
                3d
                   -2 :               0.00001296776591
                   -1 :              -0.00001710244613
                   +0 :              -0.00001011460674
                   +1 :               0.00001072795160
                   +2 :               0.00001433670078
              8 vec=     7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00001937044056
                2s
                   +0 :               0.00026855895954
                3s
                   +0 :              -0.00011052652126
                2p
                   -1 :              -0.00021410860665
                   +0 :               0.00023270777317
                   +1 :               0.00004818490358
                3p
                   -1 :              -0.00009786280578
                   +0 :              -0.00021638516123
                   +1 :               0.00003873517239
                3d
                   -2 :              -0.00000646106725
                   -1 :              -0.00003391459240
                   +0 :              -0.00002141496084
                   +1 :               0.00001083499411
                   +2 :              -0.00000211076921
              9 vec=    -7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002603830081
                2s
                   +0 :              -0.00041265847659
                3s
                   +0 :               0.00000426470076
                2p
                   -1 :              -0.00009794434969
                   +0 :               0.00006958520291
                   +1 :               0.00026211806131
                3p
                   -1 :              -0.00000176703901
                   +0 :               0.00007854588409
                   +1 :              -0.00013165261807
                3d
                   -2 :              -0.00000797274070
                   -1 :               0.00000153467117
                   +0 :              -0.00001483093398
                   +1 :               0.00000037655064
                   +2 :               0.00001351747493
             10 vec=    -7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000053980445
                2s
                   +0 :               0.00003851338873
                3s
                   +0 :               0.00001504392210
                2p
                   -1 :               0.00009333750408
                   +0 :               0.00005953141072
                   +1 :              -0.00012551226438
                3p
                   -1 :               0.00001438179264
                   +0 :              -0.00000415104771
                   +1 :               0.00004803110956
                3d
                   -2 :              -0.00000180591131
                   -1 :               0.00000550509108
                   +0 :              -0.00000288543483
                   +1 :               0.00000546186472
                   +2 :              -0.00000676044295
             11 vec=     7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00029308690235
                2s
                   +0 :               0.00296610485739
                3s
                   +0 :              -0.00048234135893
                2p
                   -1 :               0.00092683468877
                   +0 :              -0.00133825988342
                   +1 :              -0.00009339477386
                3p
                   -1 :              -0.00025418909832
                   +0 :               0.00033997910930
                   +1 :               0.00000970717449
                3d
                   -2 :               0.00000956221564
                   -1 :              -0.00006509878884
                   +0 :               0.00002307612808
                   +1 :               0.00000351016402
                   +2 :              -0.00005557126251
             12 vec=     7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002613296365
                2s
                   +0 :              -0.00027050045007
                3s
                   +0 :               0.00007031026305
                2p
                   -1 :               0.00018598073601
                   +0 :              -0.00015799141984
                   +1 :              -0.00002123685029
                3p
                   -1 :              -0.00008571898631
                   +0 :               0.00013576144825
                   +1 :               0.00006163300332
                3d
                   -2 :               0.00000794314807
                   -1 :               0.00000223885123
                   +0 :               0.00002183906344
                   +1 :               0.00000362155308
                   +2 :              -0.00000763811944
             13 vec=     0.000000     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000017655664
                2s
                   +0 :              -0.00009411008157
                3s
                   +0 :              -0.00002716627957
                2p
                   -1 :              -0.00020944214267
                   +0 :               0.00001841707882
                   +1 :              -0.00019331755542
                3p
                   -1 :               0.00008002390770
                   +0 :              -0.00000961421693
                   +1 :               0.00005776563226
                3d
                   -2 :              -0.00000866469797
                   -1 :              -0.00000726740777
                   +0 :              -0.00000649386807
                   +1 :              -0.00000132959945
                   +2 :               0.00000076573233
             14 vec=     0.000000     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000692770561
                2s
                   +0 :              -0.00001275608423
                3s
                   +0 :               0.00003113788676
                2p
                   -1 :               0.00012618523795
                   +0 :              -0.00011679072148
                   +1 :               0.00005745421332
                3p
                   -1 :               0.00001752475495
                   +0 :               0.00006709503266
                   +1 :              -0.00001405197083
                3d
                   -2 :               0.00000158140597
                   -1 :               0.00000874105921
                   +0 :               0.00000349984872
                   +1 :              -0.00000535735587
                   +2 :              -0.00000932141376
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 17)  npairs=  18
              1 vec=    -3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00003193711793
                2s
                   +0 :              -0.00025413231398
                3s
                   +0 :              -0.00015000034739
                2p
                   -1 :              -0.00010892609304
                   +0 :               0.00028919364549
                   +1 :              -0.00049635104615
                3p
                   -1 :               0.00011458244404
                   +0 :              -0.00011630787504
                   +1 :               0.00042220000736
                3d
                   -2 :              -0.00003964916472
                   -1 :              -0.00003080399949
                   +0 :               0.00001663998326
                   +1 :              -0.00001744404136
                   +2 :               0.00001456640459
              2 vec=    -3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006016380658
                2s
                   +0 :               0.00000160640523
                3s
                   +0 :               0.00024584951271
                2p
                   -1 :               0.00039571779005
                   +0 :               0.00024804072282
                   +1 :               0.00039242265693
                3p
                   -1 :              -0.00033232158747
                   +0 :              -0.00011515414873
                   +1 :              -0.00022575049990
                3d
                   -2 :               0.00000091682945
                   -1 :              -0.00000087135621
                   +0 :              -0.00002423207921
                   +1 :              -0.00003244771645
                   +2 :               0.00004572215538
              3 vec=     4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00005760061302
                2s
                   +0 :               0.00028647871508
                3s
                   +0 :              -0.00009955682389
                2p
                   -1 :              -0.00026103947350
                   +0 :               0.00036745071616
                   +1 :              -0.00082192085843
                3p
                   -1 :              -0.00012005149625
                   +0 :              -0.00014388491966
                   +1 :               0.00011914093759
                3d
                   -2 :               0.00002476876500
                   -1 :               0.00002329636586
                   +0 :               0.00002236421675
                   +1 :               0.00002649714178
                   +2 :               0.00000012477322
              4 vec=     4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00012069930814
                2s
                   +0 :               0.00146030313265
                3s
                   +0 :              -0.00018447502464
                2p
                   -1 :               0.00005841244838
                   +0 :               0.00089174990714
                   +1 :               0.00002861926487
                3p
                   -1 :              -0.00004350957291
                   +0 :               0.00002524716738
                   +1 :               0.00014549894109
                3d
                   -2 :              -0.00002657722972
                   -1 :              -0.00001330201492
                   +0 :               0.00001069598320
                   +1 :               0.00001583725213
                   +2 :              -0.00002250608060
              5 vec=    -3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00014316377396
                2s
                   +0 :              -0.00141424870462
                3s
                   +0 :               0.00020846981542
                2p
                   -1 :              -0.00060708877362
                   +0 :               0.00057663466781
                   +1 :              -0.00043026634494
                3p
                   -1 :               0.00005087223420
                   +0 :              -0.00001901111251
                   +1 :               0.00021624670888
                3d
                   -2 :               0.00000599144584
                   -1 :               0.00006063079593
                   +0 :              -0.00000285354434
                   +1 :              -0.00000329389973
                   +2 :               0.00003637425115
              6 vec=    -3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00010820856285
                2s
                   +0 :               0.00161902760336
                3s
                   +0 :              -0.00019297441729
                2p
                   -1 :               0.00092268601011
                   +0 :               0.00117644310149
                   +1 :               0.00020189715013
                3p
                   -1 :              -0.00010309670449
                   +0 :              -0.00026344916673
                   +1 :               0.00000850929508
                3d
                   -2 :               0.00001801642713
                   -1 :               0.00004900368900
                   +0 :               0.00001584579541
                   +1 :               0.00001157232235
                   +2 :              -0.00004998827332
              7 vec=     4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00020717805137
                2s
                   +0 :              -0.00249686329376
                3s
                   +0 :               0.00035054370286
                2p
                   -1 :               0.00035828447920
                   +0 :               0.00134522916248
                   +1 :              -0.00085259127127
                3p
                   -1 :              -0.00006172550123
                   +0 :              -0.00027016101085
                   +1 :               0.00008189056298
                3d
                   -2 :               0.00005384875343
                   -1 :              -0.00002616814164
                   +0 :              -0.00004459977480
                   +1 :               0.00005902571832
                   +2 :              -0.00003183311270
              8 vec=     4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002609277584
                2s
                   +0 :               0.00025489242530
                3s
                   +0 :              -0.00007634493984
                2p
                   -1 :               0.00022244008696
                   +0 :               0.00009479701721
                   +1 :               0.00069713543742
                3p
                   -1 :              -0.00017752638200
                   +0 :               0.00002528429087
                   +1 :              -0.00021820716094
                3d
                   -2 :              -0.00001829524183
                   -1 :              -0.00000878943998
                   +0 :              -0.00002265870726
                   +1 :               0.00002274554305
                   +2 :               0.00001434035960
              9 vec=   -10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00004313197574
                2s
                   +0 :              -0.00046782883185
                3s
                   +0 :               0.00005953855905
                2p
                   -1 :              -0.00012259846308
                   +0 :               0.00005096189525
                   +1 :               0.00009107506214
                3p
                   -1 :               0.00011224253197
                   +0 :              -0.00001037882646
                   +1 :               0.00007810612426
                3d
                   -2 :               0.00000056000091
                   -1 :              -0.00000687272238
                   +0 :               0.00000078692511
                   +1 :              -0.00000555796143
                   +2 :              -0.00001584377960
             10 vec=   -10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003347291189
                2s
                   +0 :               0.00033793500359
                3s
                   +0 :              -0.00009655849996
                2p
                   -1 :               0.00005607155847
                   +0 :               0.00009820322706
                   +1 :              -0.00022442361163
                3p
                   -1 :               0.00001308327644
                   +0 :              -0.00004184144307
                   +1 :               0.00002916705008
                3d
                   -2 :              -0.00000175868351
                   -1 :              -0.00000563631715
                   +0 :              -0.00000001592572
                   +1 :               0.00000276128931
                   +2 :              -0.00000451826065
             11 vec=    -3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00004303390175
                2s
                   +0 :              -0.00043851512666
                3s
                   +0 :               0.00007639403151
                2p
                   -1 :               0.00017176820474
                   +0 :               0.00005127388824
                   +1 :               0.00007210056352
                3p
                   -1 :              -0.00000782064502
                   +0 :               0.00001468355898
                   +1 :               0.00000500115795
                3d
                   -2 :              -0.00000352695283
                   -1 :               0.00000372181749
                   +0 :              -0.00000277092091
                   +1 :              -0.00000496199347
                   +2 :               0.00000260133688
             12 vec=    -3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001554658428
                2s
                   +0 :               0.00019741584217
                3s
                   +0 :              -0.00001232165476
                2p
                   -1 :              -0.00008864067789
                   +0 :               0.00007109738288
                   +1 :               0.00017206452893
                3p
                   -1 :              -0.00001806379554
                   +0 :              -0.00000966121351
                   +1 :              -0.00017643071416
                3d
                   -2 :               0.00001246753024
                   -1 :              -0.00000483097507
                   +0 :               0.00000084520762
                   +1 :              -0.00001281453138
                   +2 :              -0.00000558550922
             13 vec=   -10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002858583405
                2s
                   +0 :              -0.00028090165121
                3s
                   +0 :               0.00006477285272
                2p
                   -1 :               0.00009784248332
                   +0 :               0.00000179693079
                   +1 :               0.00011318349399
                3p
                   -1 :              -0.00004143113522
                   +0 :              -0.00000808625207
                   +1 :              -0.00000394090035
                3d
                   -2 :              -0.00000268218682
                   -1 :               0.00000202569705
                   +0 :              -0.00000162153393
                   +1 :               0.00000270657130
                   +2 :              -0.00000626832045
             14 vec=   -10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00004688114648
                2s
                   +0 :               0.00045810293708
                3s
                   +0 :              -0.00010027176887
                2p
                   -1 :              -0.00002249742584
                   +0 :               0.00016620566580
                   +1 :              -0.00020963339725
                3p
                   -1 :              -0.00006115411109
                   +0 :              -0.00007950946965
                   +1 :               0.00008032917170
                3d
                   -2 :               0.00000916275840
                   -1 :              -0.00000220219679
                   +0 :               0.00000182498579
                   +1 :               0.00000594984748
                   +2 :              -0.00000546272359
             15 vec=     4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00003039082035
                2s
                   +0 :               0.00033444678368
                3s
                   +0 :              -0.00002844196060
                2p
                   -1 :               0.00009076091947
                   +0 :               0.00000804465872
                   +1 :              -0.00015894816660
                3p
                   -1 :               0.00004366589995
                   +0 :              -0.00001395486011
                   +1 :              -0.00004863002312
                3d
                   -2 :              -0.00001458760795
                   -1 :              -0.00001249420847
                   +0 :              -0.00000062969074
                   +1 :              -0.00000398359815
                   +2 :              -0.00001324556435
             16 vec=     4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000101335929
                2s
                   +0 :              -0.00008011652287
                3s
                   +0 :              -0.00003990695236
                2p
                   -1 :               0.00002338905217
                   +0 :              -0.00004772365006
                   +1 :               0.00020670850927
                3p
                   -1 :              -0.00003838493552
                   +0 :              -0.00002955475434
                   +1 :              -0.00009342979145
                3d
                   -2 :               0.00000301656934
                   -1 :              -0.00000502882539
                   +0 :              -0.00000662791439
                   +1 :              -0.00000420126567
                   +2 :              -0.00000053334492
             17 vec=    12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00003966708321
                2s
                   +0 :               0.00047006523193
                3s
                   +0 :              -0.00002691903412
                2p
                   -1 :              -0.00025430946973
                   +0 :              -0.00009838029532
                   +1 :              -0.00005075565639
                3p
                   -1 :               0.00000628449273
                   +0 :              -0.00002123848524
                   +1 :               0.00007910794955
                3d
                   -2 :              -0.00001496979493
                   -1 :              -0.00000190016625
                   +0 :               0.00001100832877
                   +1 :              -0.00000752064738
                   +2 :              -0.00000459602796
             18 vec=    12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000980664015
                2s
                   +0 :              -0.00011513968423
                3s
                   +0 :              -0.00001710127197
                2p
                   -1 :              -0.00003924899643
                   +0 :              -0.00000971612880
                   +1 :               0.00000056610663
                3p
                   -1 :               0.00008798144887
                   +0 :              -0.00003819976156
                   +1 :              -0.00002414052344
                3d
                   -2 :               0.00001234495249
                   -1 :               0.00001211882868
                   +0 :               0.00000635961342
                   +1 :              -0.00001015639551
                   +2 :              -0.00000184884622
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 18)  npairs=  14
              1 vec=     2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00001404912867
                2s
                   +0 :              -0.00042906617070
                3s
                   +0 :              -0.00007930979808
                2p
                   -1 :              -0.00119405431060
                   +0 :               0.00017116146498
                   +1 :               0.00022173521097
                3p
                   -1 :               0.00061194414426
                   +0 :              -0.00008877824263
                   +1 :              -0.00019069979991
                3d
                   -2 :               0.00003479410081
                   -1 :               0.00000285709707
                   +0 :               0.00003393126062
                   +1 :               0.00001381244037
                   +2 :               0.00006301549627
              2 vec=     2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00012177972611
                2s
                   +0 :              -0.00036916708701
                3s
                   +0 :               0.00047119988316
                2p
                   -1 :               0.00054646437263
                   +0 :              -0.00080651849607
                   +1 :              -0.00040069467889
                3p
                   -1 :              -0.00045132475607
                   +0 :               0.00081601271021
                   +1 :               0.00046758680698
                3d
                   -2 :              -0.00000207441715
                   -1 :              -0.00004306986976
                   +0 :               0.00000688746973
                   +1 :               0.00003149174193
                   +2 :               0.00000003207738
              3 vec=    -5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00028129303396
                2s
                   +0 :              -0.00291767975454
                3s
                   +0 :               0.00043958700975
                2p
                   -1 :              -0.00000395416488
                   +0 :               0.00138582077227
                   +1 :               0.00102064560947
                3p
                   -1 :               0.00006714606651
                   +0 :              -0.00019556865757
                   +1 :              -0.00050702667795
                3d
                   -2 :              -0.00004758160761
                   -1 :              -0.00000973320100
                   +0 :              -0.00008369744755
                   +1 :              -0.00003132302681
                   +2 :              -0.00003175463252
              4 vec=    -5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00016496303212
                2s
                   +0 :               0.00210228826856
                3s
                   +0 :              -0.00022742162071
                2p
                   -1 :               0.00038370287969
                   +0 :               0.00138249314341
                   +1 :              -0.00017939412372
                3p
                   -1 :              -0.00027927603475
                   +0 :              -0.00012835999013
                   +1 :              -0.00017673912601
                3d
                   -2 :               0.00004071105508
                   -1 :              -0.00002540527990
                   +0 :               0.00002829914621
                   +1 :              -0.00005787970176
                   +2 :               0.00001042399939
              5 vec=    -5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00010137980033
                2s
                   +0 :              -0.00113836383415
                3s
                   +0 :               0.00017161976700
                2p
                   -1 :              -0.00011480913739
                   +0 :               0.00047645023899
                   +1 :               0.00052887861303
                3p
                   -1 :               0.00008970873618
                   +0 :              -0.00013320886998
                   +1 :              -0.00007904594925
                3d
                   -2 :              -0.00000383973456
                   -1 :               0.00000125565237
                   +0 :              -0.00000002165556
                   +1 :              -0.00001685806856
                   +2 :              -0.00001834527536
              6 vec=    -5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00008878798924
                2s
                   +0 :               0.00073942072757
                3s
                   +0 :              -0.00016578984863
                2p
                   -1 :              -0.00011398322268
                   +0 :               0.00020848323580
                   +1 :              -0.00006589549510
                3p
                   -1 :               0.00011421908455
                   +0 :              -0.00000448762865
                   +1 :              -0.00015708868447
                3d
                   -2 :              -0.00001078018278
                   -1 :               0.00002914651050
                   +0 :              -0.00002535661437
                   +1 :              -0.00002871198310
                   +2 :               0.00002383229499
              7 vec=     2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00005677201816
                2s
                   +0 :              -0.00052263344742
                3s
                   +0 :               0.00016531095646
                2p
                   -1 :              -0.00029594488649
                   +0 :               0.00053613831370
                   +1 :              -0.00000940498201
                3p
                   -1 :               0.00009589867139
                   +0 :              -0.00035245430603
                   +1 :              -0.00012059710762
                3d
                   -2 :               0.00000636636530
                   -1 :               0.00001815008936
                   +0 :               0.00001470333270
                   +1 :               0.00000237737201
                   +2 :              -0.00000254274302
              8 vec=     2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004257158182
                2s
                   +0 :               0.00049078109021
                3s
                   +0 :              -0.00004125621138
                2p
                   -1 :               0.00030686960725
                   +0 :              -0.00011839211836
                   +1 :              -0.00026868320790
                3p
                   -1 :               0.00005145370276
                   +0 :               0.00031498980645
                   +1 :               0.00013490806371
                3d
                   -2 :              -0.00002331996179
                   -1 :               0.00002946726136
                   +0 :               0.00002622673974
                   +1 :              -0.00001123711909
                   +2 :              -0.00001743675402
              9 vec=     2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003740604475
                2s
                   +0 :              -0.00042325357559
                3s
                   +0 :               0.00005017926365
                2p
                   -1 :               0.00018616823288
                   +0 :               0.00019121523294
                   +1 :              -0.00003589435846
                3p
                   -1 :              -0.00005367626266
                   +0 :              -0.00004456106906
                   +1 :              -0.00000941322245
                3d
                   -2 :               0.00000007383577
                   -1 :              -0.00000057386210
                   +0 :              -0.00000108543195
                   +1 :               0.00001389528951
                   +2 :              -0.00000590775948
             10 vec=     2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000150580789
                2s
                   +0 :               0.00008052706975
                3s
                   +0 :              -0.00000929699168
                2p
                   -1 :              -0.00022034561321
                   +0 :              -0.00003875012816
                   +1 :              -0.00008842951655
                3p
                   -1 :               0.00013474352677
                   +0 :               0.00006807953610
                   +1 :               0.00014156899799
                3d
                   -2 :              -0.00001690156535
                   -1 :               0.00000864477355
                   +0 :               0.00000748410181
                   +1 :               0.00001785844094
                   +2 :               0.00000845911448
             11 vec=    10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00014163925479
                2s
                   +0 :               0.00158986399691
                3s
                   +0 :              -0.00011738716560
                2p
                   -1 :              -0.00041792526090
                   +0 :              -0.00069492617963
                   +1 :               0.00031838855448
                3p
                   -1 :               0.00000942438731
                   +0 :               0.00004082253113
                   +1 :               0.00004863877134
                3d
                   -2 :              -0.00003421215852
                   -1 :               0.00004741155573
                   +0 :              -0.00000436205443
                   +1 :              -0.00005979550965
                   +2 :               0.00002152854883
             12 vec=    10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001787653046
                2s
                   +0 :              -0.00019146430671
                3s
                   +0 :               0.00000906317849
                2p
                   -1 :               0.00010345858809
                   +0 :               0.00001799293032
                   +1 :               0.00012363313556
                3p
                   -1 :              -0.00008354524575
                   +0 :              -0.00004985060359
                   +1 :              -0.00003239419453
                3d
                   -2 :               0.00000646273481
                   -1 :              -0.00000484873073
                   +0 :               0.00000747982103
                   +1 :               0.00000130782826
                   +2 :               0.00000166338342
             13 vec=    10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000644594750
                2s
                   +0 :               0.00002100975141
                3s
                   +0 :              -0.00003049915498
                2p
                   -1 :              -0.00014063853107
                   +0 :              -0.00013008864708
                   +1 :              -0.00015638956775
                3p
                   -1 :               0.00005421785875
                   +0 :               0.00005817991445
                   +1 :              -0.00000592760683
                3d
                   -2 :               0.00000269247703
                   -1 :              -0.00000497295876
                   +0 :              -0.00000114183403
                   +1 :              -0.00000384047508
                   +2 :              -0.00000380379997
             14 vec=    10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000505355911
                2s
                   +0 :              -0.00007874933914
                3s
                   +0 :              -0.00001639171736
                2p
                   -1 :              -0.00012967070299
                   +0 :              -0.00002062400823
                   +1 :               0.00007817852602
                3p
                   -1 :               0.00006572820500
                   +0 :              -0.00002540947016
                   +1 :              -0.00004671004882
                3d
                   -2 :               0.00000168434386
                   -1 :               0.00000423029036
                   +0 :              -0.00000060303869
                   +1 :              -0.00001184333795
                   +2 :               0.00000561146435
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 19)  npairs=  15
              1 vec=     2.174555      4.491729      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00031166684108
                2s
                   +0 :               0.00263344403318
                3s
                   +0 :              -0.00028221291770
                2p
                   -1 :               0.00130334637775
                   +0 :               0.00373166203232
                   +1 :               0.00186962116095
                3p
                   -1 :              -0.00032266949890
                   +0 :              -0.00048604109229
                   +1 :               0.00113932944748
                3d
                   -2 :               0.00012832108717
                   -1 :               0.00005946604735
                   +0 :               0.00017376882397
                   +1 :               0.00039296805773
                   +2 :               0.00014376280521
              2 vec=     2.174555     -4.492029      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00024973630789
                2s
                   +0 :               0.00326922073758
                3s
                   +0 :               0.00002303605591
                2p
                   -1 :              -0.00298319350138
                   +0 :               0.00335389186547
                   +1 :              -0.00398048942959
                3p
                   -1 :               0.00025692788526
                   +0 :              -0.00016138415715
                   +1 :               0.00200235065244
                3d
                   -2 :               0.00011890260611
                   -1 :              -0.00010237313102
                   +0 :               0.00001044360980
                   +1 :               0.00005296682487
                   +2 :               0.00003146846108
              3 vec=    -5.605607     -0.000150      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00059383128301
                2s
                   +0 :               0.00547458066568
                3s
                   +0 :              -0.00062674805468
                2p
                   -1 :               0.00202664332456
                   +0 :               0.00204215010609
                   +1 :              -0.00291461646287
                3p
                   -1 :              -0.00011549042543
                   +0 :               0.00109068474108
                   +1 :               0.00042844910183
                3d
                   -2 :              -0.00010469461964
                   -1 :               0.00027528019737
                   +0 :               0.00015793103458
                   +1 :              -0.00006944484326
                   +2 :              -0.00003248912760
              4 vec=     9.954718     -0.000150      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00004427496245
                2s
                   +0 :               0.00026052562057
                3s
                   +0 :              -0.00040026518466
                2p
                   -1 :              -0.00027725281365
                   +0 :              -0.00035052537318
                   +1 :               0.00053229893183
                3p
                   -1 :              -0.00022055310452
                   +0 :              -0.00015869868227
                   +1 :              -0.00053740478113
                3d
                   -2 :              -0.00006300858510
                   -1 :              -0.00006106198228
                   +0 :              -0.00000796901852
                   +1 :              -0.00010647667560
                   +2 :              -0.00002871423156
              5 vec=    -5.605607      8.983608      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00002306795294
                2s
                   +0 :               0.00037583672373
                3s
                   +0 :              -0.00002267646851
                2p
                   -1 :               0.00046310914869
                   +0 :              -0.00009594959288
                   +1 :               0.00004640604666
                3p
                   -1 :              -0.00003652238477
                   +0 :              -0.00002465493204
                   +1 :              -0.00002312003883
                3d
                   -2 :              -0.00000156958384
                   -1 :               0.00000247897552
                   +0 :              -0.00001605790023
                   +1 :               0.00002422555423
                   +2 :              -0.00001676680076
              6 vec=    -5.605607     -8.983908      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00004570102047
                2s
                   +0 :               0.00055770447189
                3s
                   +0 :              -0.00006208068724
                2p
                   -1 :              -0.00009067796318
                   +0 :              -0.00016314377485
                   +1 :              -0.00031651570335
                3p
                   -1 :              -0.00001775339641
                   +0 :               0.00014546938286
                   +1 :               0.00014099970437
                3d
                   -2 :              -0.00001471219538
                   -1 :               0.00001981618086
                   +0 :               0.00004003023102
                   +1 :              -0.00000077313241
                   +2 :              -0.00001294993360
              7 vec=     9.954718      8.983608      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00005199905689
                2s
                   +0 :              -0.00041744225394
                3s
                   +0 :               0.00017123368980
                2p
                   -1 :               0.00000322097237
                   +0 :              -0.00002321682513
                   +1 :              -0.00044658176734
                3p
                   -1 :               0.00007859260785
                   +0 :               0.00005583092528
                   +1 :               0.00030040053703
                3d
                   -2 :              -0.00000005602471
                   -1 :               0.00000801261524
                   +0 :               0.00000210542826
                   +1 :               0.00000788153774
                   +2 :              -0.00001236938115
              8 vec=     9.954718     -8.983908      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00000934988704
                2s
                   +0 :              -0.00009354068513
                3s
                   +0 :               0.00001967951187
                2p
                   -1 :              -0.00005712772589
                   +0 :               0.00010014802903
                   +1 :               0.00008494591279
                3p
                   -1 :               0.00002553281165
                   +0 :              -0.00004221680431
                   +1 :              -0.00004403063785
                3d
                   -2 :               0.00000283687102
                   -1 :               0.00000025669252
                   +0 :              -0.00001013976491
                   +1 :               0.00000528397369
                   +2 :              -0.00000307292580
              9 vec=     2.174555     13.475487      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00002897088473
                2s
                   +0 :              -0.00028842689418
                3s
                   +0 :               0.00003982655995
                2p
                   -1 :              -0.00010352242898
                   +0 :              -0.00007665575399
                   +1 :              -0.00008255596166
                3p
                   -1 :              -0.00000261037334
                   +0 :               0.00000180738890
                   +1 :               0.00007893193415
                3d
                   -2 :               0.00000483281650
                   -1 :              -0.00000817979133
                   +0 :              -0.00000085642131
                   +1 :              -0.00000879087999
                   +2 :               0.00000572670807
             10 vec=     2.174555    -13.475787      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00001925635798
                2s
                   +0 :              -0.00007411510114
                3s
                   +0 :               0.00009067932097
                2p
                   -1 :              -0.00005480608719
                   +0 :               0.00010990153465
                   +1 :               0.00010203958743
                3p
                   -1 :              -0.00002029592327
                   +0 :              -0.00008318529119
                   +1 :               0.00004362748105
                3d
                   -2 :              -0.00001337821704
                   -1 :               0.00001303601016
                   +0 :               0.00000343873177
                   +1 :              -0.00000183795659
                   +2 :              -0.00000297840177
             11 vec=   -13.385770      4.491729      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00001647408521
                2s
                   +0 :               0.00017541766037
                3s
                   +0 :              -0.00001477145509
                2p
                   -1 :               0.00005195440665
                   +0 :              -0.00009367509795
                   +1 :              -0.00012920197007
                3p
                   -1 :              -0.00000352863761
                   +0 :               0.00009321974316
                   +1 :               0.00001280628696
                3d
                   -2 :               0.00000323931102
                   -1 :               0.00000051338908
                   +0 :               0.00000598941199
                   +1 :              -0.00000493669502
                   +2 :               0.00000305313018
             12 vec=   -13.385770     -4.492029      8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00003903548129
                2s
                   +0 :               0.00038615769071
                3s
                   +0 :              -0.00004127892244
                2p
                   -1 :              -0.00005945057987
                   +0 :               0.00002042013302
                   +1 :              -0.00017596410618
                3p
                   -1 :               0.00003317311324
                   +0 :               0.00003314061482
                   +1 :               0.00004220565799
                3d
                   -2 :              -0.00000283438449
                   -1 :              -0.00000049379548
                   +0 :              -0.00000318554951
                   +1 :               0.00000189513220
                   +2 :               0.00000381858832
             13 vec=     2.174555      4.491729    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00000881572027
                2s
                   +0 :              -0.00005774137032
                3s
                   +0 :               0.00001268878587
                2p
                   -1 :              -0.00019091736245
                   +0 :               0.00019412340019
                   +1 :              -0.00020782861883
                3p
                   -1 :               0.00012662711594
                   +0 :              -0.00009120069240
                   +1 :               0.00007510749777
                3d
                   -2 :              -0.00000171429732
                   -1 :              -0.00000350899303
                   +0 :              -0.00000069312496
                   +1 :              -0.00000238543235
                   +2 :               0.00000582081746
             14 vec=     2.174555     -4.492029    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00004475160991
                2s
                   +0 :              -0.00039206166053
                3s
                   +0 :               0.00010605907287
                2p
                   -1 :              -0.00015485516440
                   +0 :               0.00024663863598
                   +1 :              -0.00011511599481
                3p
                   -1 :               0.00003386194134
                   +0 :              -0.00011757834043
                   +1 :               0.00007809740147
                3d
                   -2 :              -0.00000008250704
                   -1 :               0.00000967881430
                   +0 :               0.00001126261443
                   +1 :              -0.00000869142927
                   +2 :              -0.00000701372614
             15 vec=    -5.605607     -0.000150    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00003510613884
                2s
                   +0 :              -0.00040721164139
                3s
                   +0 :               0.00002284902911
                2p
                   -1 :               0.00006167084912
                   +0 :               0.00025411750381
                   +1 :              -0.00002323520907
                3p
                   -1 :               0.00006027399742
                   +0 :              -0.00002772779956
                   +1 :               0.00001406147977
                3d
                   -2 :               0.00000222728771
                   -1 :              -0.00002177926655
                   +0 :              -0.00000513142433
                   +1 :              -0.00000217749692
                   +2 :               0.00000850065665
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 20)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00031015090530
                2s
                   +0 :               0.00314926459626
                3s
                   +0 :              -0.00052802163906
                2p
                   -1 :               0.00259508606879
                   +0 :               0.00229823758539
                   +1 :               0.00189880054671
                3p
                   -1 :              -0.00009932482733
                   +0 :              -0.00051850821449
                   +1 :              -0.00000213815834
                3d
                   -2 :               0.00013397565354
                   -1 :               0.00016878713407
                   +0 :               0.00001052231265
                   +1 :               0.00011739988308
                   +2 :              -0.00003960281161
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00062333866504
                2s
                   +0 :               0.00629523376220
                3s
                   +0 :              -0.00094420375508
                2p
                   -1 :               0.00115673944053
                   +0 :               0.00771656825028
                   +1 :              -0.00430090593315
                3p
                   -1 :               0.00026580989350
                   +0 :              -0.00122904109962
                   +1 :               0.00080098363315
                3d
                   -2 :              -0.00015481033323
                   -1 :               0.00016048623940
                   +0 :               0.00023887519334
                   +1 :              -0.00030305418160
                   +2 :               0.00018439946671
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00033667045127
                2s
                   +0 :               0.00315746312921
                3s
                   +0 :               0.00004030915464
                2p
                   -1 :              -0.00093120361234
                   +0 :               0.00093872443874
                   +1 :               0.00271726139281
                3p
                   -1 :              -0.00131517681194
                   +0 :               0.00141471203749
                   +1 :              -0.00136834698997
                3d
                   -2 :              -0.00005621559066
                   -1 :              -0.00034508665065
                   +0 :               0.00008158245733
                   +1 :               0.00007157254727
                   +2 :              -0.00008845578231
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00012240633828
                2s
                   +0 :              -0.00089995322749
                3s
                   +0 :               0.00023623099531
                2p
                   -1 :              -0.00008655852867
                   +0 :              -0.00046231099565
                   +1 :               0.00033263391863
                3p
                   -1 :               0.00018469601527
                   +0 :               0.00010641309547
                   +1 :              -0.00056895039696
                3d
                   -2 :              -0.00003644424214
                   -1 :              -0.00000304299447
                   +0 :               0.00002360534839
                   +1 :              -0.00005861164323
                   +2 :              -0.00000031578640
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00003653035715
                2s
                   +0 :              -0.00023446283352
                3s
                   +0 :               0.00011830468862
                2p
                   -1 :               0.00015701298801
                   +0 :              -0.00042266257170
                   +1 :               0.00052811312172
                3p
                   -1 :               0.00002061439014
                   +0 :               0.00035060475635
                   +1 :              -0.00028039745310
                3d
                   -2 :               0.00001225624137
                   -1 :              -0.00000935176264
                   +0 :               0.00003426532387
                   +1 :              -0.00001610889420
                   +2 :               0.00001541155309
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00004025280667
                2s
                   +0 :               0.00079947221449
                3s
                   +0 :              -0.00007800223428
                2p
                   -1 :              -0.00039225867512
                   +0 :              -0.00049241199850
                   +1 :              -0.00052191437776
                3p
                   -1 :               0.00020833618430
                   +0 :               0.00018151953328
                   +1 :               0.00009005126054
                3d
                   -2 :               0.00000242758516
                   -1 :               0.00001798882879
                   +0 :              -0.00003448428407
                   +1 :               0.00001605671533
                   +2 :               0.00003125311893
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00005440004410
                2s
                   +0 :              -0.00040581720805
                3s
                   +0 :               0.00016690164641
                2p
                   -1 :              -0.00024107148176
                   +0 :              -0.00008407999676
                   +1 :              -0.00023862414981
                3p
                   -1 :               0.00013025467254
                   +0 :               0.00009353265101
                   +1 :               0.00023047938322
                3d
                   -2 :               0.00000124413621
                   -1 :              -0.00000119495656
                   +0 :              -0.00002261696065
                   +1 :               0.00001218732745
                   +2 :               0.00001677093737
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00004321718764
                2s
                   +0 :              -0.00033315557002
                3s
                   +0 :               0.00007386266339
                2p
                   -1 :               0.00015119484215
                   +0 :               0.00008362897675
                   +1 :              -0.00017170294553
                3p
                   -1 :              -0.00008236857805
                   +0 :              -0.00010598108396
                   +1 :               0.00009914403660
                3d
                   -2 :               0.00000586511144
                   -1 :               0.00000644262699
                   +0 :              -0.00000487759772
                   +1 :              -0.00001286443468
                   +2 :              -0.00000221985025
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001150231681
                2s
                   +0 :              -0.00016880807944
                3s
                   +0 :               0.00000939786325
                2p
                   -1 :               0.00003547298415
                   +0 :              -0.00008782675853
                   +1 :               0.00012336781294
                3p
                   -1 :              -0.00002872766946
                   +0 :               0.00001830704515
                   +1 :              -0.00006395041766
                3d
                   -2 :               0.00000313016153
                   -1 :              -0.00000440491496
                   +0 :              -0.00000459794032
                   +1 :              -0.00000192148409
                   +2 :               0.00000054181463
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00000422268347
                2s
                   +0 :              -0.00003444801815
                3s
                   +0 :               0.00003865526911
                2p
                   -1 :               0.00017667524063
                   +0 :              -0.00010874052600
                   +1 :               0.00002336614879
                3p
                   -1 :              -0.00004485473745
                   +0 :               0.00006016261767
                   +1 :              -0.00002956497529
                3d
                   -2 :              -0.00000570763279
                   -1 :               0.00000249232569
                   +0 :               0.00000735194461
                   +1 :               0.00000216537731
                   +2 :              -0.00000142642153
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00002885697340
                2s
                   +0 :               0.00031275670562
                3s
                   +0 :              -0.00006885671118
                2p
                   -1 :              -0.00021875445431
                   +0 :               0.00016565809880
                   +1 :               0.00005582173444
                3p
                   -1 :               0.00006652050685
                   +0 :              -0.00010163137876
                   +1 :              -0.00010653494119
                3d
                   -2 :               0.00001564481929
                   -1 :               0.00001585276235
                   +0 :              -0.00000562111945
                   +1 :               0.00000754579886
                   +2 :               0.00001655480984
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00002967170638
                2s
                   +0 :               0.00037915866051
                3s
                   +0 :              -0.00003736989330
                2p
                   -1 :              -0.00030193778061
                   +0 :               0.00002646833126
                   +1 :              -0.00012329536925
                3p
                   -1 :               0.00016125222008
                   +0 :               0.00003457738468
                   +1 :               0.00005103675836
                3d
                   -2 :              -0.00000640674230
                   -1 :              -0.00000665954884
                   +0 :              -0.00000004931347
                   +1 :              -0.00000199750958
                   +2 :               0.00000020611316
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002543546635
                2s
                   +0 :               0.00024143090455
                3s
                   +0 :              -0.00006954893767
                2p
                   -1 :              -0.00010453509597
                   +0 :              -0.00004883698990
                   +1 :               0.00002397895256
                3p
                   -1 :               0.00004554656853
                   +0 :               0.00005983168099
                   +1 :              -0.00008773989398
                3d
                   -2 :              -0.00000558566783
                   -1 :              -0.00000699727496
                   +0 :               0.00000122158570
                   +1 :               0.00000836763213
                   +2 :              -0.00000742677502
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00006671460078
                2s
                   +0 :              -0.00055478861348
                3s
                   +0 :               0.00015182745502
                2p
                   -1 :               0.00010314456581
                   +0 :               0.00028661846339
                   +1 :              -0.00012623910704
                3p
                   -1 :              -0.00012193578637
                   +0 :              -0.00010375329756
                   +1 :               0.00002576304944
                3d
                   -2 :              -0.00000338297875
                   -1 :               0.00000777374298
                   +0 :               0.00001314058409
                   +1 :               0.00000554844592
                   +2 :               0.00000810433081
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00004128165058
                2s
                   +0 :              -0.00039385240784
                3s
                   +0 :               0.00005682765715
                2p
                   -1 :              -0.00006534038460
                   +0 :               0.00008383839214
                   +1 :               0.00005144567598
                3p
                   -1 :               0.00003547908981
                   +0 :               0.00006764006490
                   +1 :              -0.00001793587290
                3d
                   -2 :               0.00000221317030
                   -1 :               0.00000602538034
                   +0 :              -0.00000654603995
                   +1 :              -0.00000446289853
                   +2 :               0.00000722454307
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 21)  npairs=  14
              1 vec=    -0.209546     -0.362644      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00040848794710
                2s
                   +0 :               0.00104223280371
                3s
                   +0 :              -0.00144978934428
                2p
                   -1 :              -0.00136200857242
                   +0 :               0.00432673908942
                   +1 :               0.00261135836655
                3p
                   -1 :               0.00091501829373
                   +0 :              -0.00404823811858
                   +1 :              -0.00117897354864
                3d
                   -2 :               0.00005634970166
                   -1 :              -0.00010201194048
                   +0 :              -0.00083958529732
                   +1 :               0.00013911939462
                   +2 :              -0.00012846936855
              2 vec=     7.570617      4.129235      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00024956549843
                2s
                   +0 :              -0.00122507673571
                3s
                   +0 :               0.00080793154323
                2p
                   -1 :               0.00122941277941
                   +0 :              -0.00142113124818
                   +1 :               0.00092440444921
                3p
                   -1 :              -0.00083786013791
                   +0 :               0.00087838718581
                   +1 :              -0.00034672674471
                3d
                   -2 :              -0.00002674862086
                   -1 :              -0.00001182704101
                   +0 :               0.00003601677981
                   +1 :              -0.00004515589210
                   +2 :              -0.00002723845589
              3 vec=    -0.209546      8.621114      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00011897287211
                2s
                   +0 :              -0.00074369525110
                3s
                   +0 :               0.00018238721346
                2p
                   -1 :               0.00066478067506
                   +0 :               0.00052103775225
                   +1 :               0.00034525384646
                3p
                   -1 :              -0.00030051503246
                   +0 :              -0.00056621730122
                   +1 :              -0.00013448497345
                3d
                   -2 :              -0.00003094644170
                   -1 :              -0.00000970419683
                   +0 :              -0.00005626653436
                   +1 :              -0.00000347943961
                   +2 :              -0.00000309736593
              4 vec=     7.570617     -4.854523      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00005541322377
                2s
                   +0 :              -0.00053384024147
                3s
                   +0 :              -0.00006719317226
                2p
                   -1 :              -0.00074769860543
                   +0 :              -0.00032503692022
                   +1 :               0.00052473918438
                3p
                   -1 :               0.00059092132928
                   +0 :               0.00004276439799
                   +1 :              -0.00000764884069
                3d
                   -2 :               0.00002266480550
                   -1 :               0.00002680179833
                   +0 :               0.00001345311509
                   +1 :               0.00001248380270
                   +2 :              -0.00001403383889
              5 vec=    -7.989708      4.129235      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00003004932616
                2s
                   +0 :               0.00098715390059
                3s
                   +0 :               0.00006765960365
                2p
                   -1 :               0.00045318569775
                   +0 :              -0.00062103029211
                   +1 :              -0.00029518045730
                3p
                   -1 :               0.00000805262253
                   +0 :               0.00021238174805
                   +1 :              -0.00023480862037
                3d
                   -2 :              -0.00003943024113
                   -1 :               0.00001976758794
                   +0 :              -0.00005044406140
                   +1 :              -0.00002178909363
                   +2 :               0.00000947539659
              6 vec=    -0.209546     -9.346402      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00004485304606
                2s
                   +0 :               0.00096360951504
                3s
                   +0 :              -0.00008024487278
                2p
                   -1 :              -0.00106828242287
                   +0 :               0.00073685256950
                   +1 :               0.00028111465619
                3p
                   -1 :               0.00037809914632
                   +0 :              -0.00065597019997
                   +1 :              -0.00019176987696
                3d
                   -2 :               0.00003609277553
                   -1 :               0.00001135343906
                   +0 :              -0.00000425217637
                   +1 :              -0.00000383724969
                   +2 :              -0.00002689342080
              7 vec=    -7.989708     -4.854523      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00009443932993
                2s
                   +0 :               0.00091522184495
                3s
                   +0 :              -0.00016111648223
                2p
                   -1 :              -0.00021544164341
                   +0 :              -0.00032759533085
                   +1 :              -0.00120035517450
                3p
                   -1 :              -0.00006079654004
                   +0 :               0.00051497245990
                   +1 :               0.00063957322850
                3d
                   -2 :              -0.00002521911465
                   -1 :               0.00000185888408
                   +0 :               0.00007108116500
                   +1 :              -0.00004110433928
                   +2 :              -0.00001712442145
              8 vec=    -0.209546     -0.362644    -16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000277400303
                2s
                   +0 :              -0.00008621192446
                3s
                   +0 :              -0.00005087904281
                2p
                   -1 :               0.00006374142847
                   +0 :              -0.00003674311367
                   +1 :              -0.00008432670019
                3p
                   -1 :              -0.00003572628700
                   +0 :               0.00009987635364
                   +1 :               0.00007240046959
                3d
                   -2 :              -0.00000590097252
                   -1 :              -0.00000224904082
                   +0 :              -0.00001601274042
                   +1 :              -0.00000593802657
                   +2 :              -0.00000888839125
              9 vec=     7.570617     13.112993      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00002741014519
                2s
                   +0 :              -0.00027065419988
                3s
                   +0 :               0.00008903478250
                2p
                   -1 :              -0.00007811283170
                   +0 :               0.00009381472300
                   +1 :              -0.00001144576816
                3p
                   -1 :               0.00005644642990
                   +0 :              -0.00004266156467
                   +1 :              -0.00000344122757
                3d
                   -2 :              -0.00000036238213
                   -1 :               0.00000128464105
                   +0 :              -0.00000575412711
                   +1 :              -0.00000138243693
                   +2 :              -0.00000355620971
             10 vec=    15.350780     -0.362644      8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000561585069
                2s
                   +0 :              -0.00006174306878
                3s
                   +0 :               0.00000825208574
                2p
                   -1 :               0.00008952995880
                   +0 :               0.00003760699905
                   +1 :              -0.00004586418740
                3p
                   -1 :              -0.00006425690738
                   +0 :               0.00003080492401
                   +1 :               0.00003473435875
                3d
                   -2 :              -0.00000532369544
                   -1 :               0.00000312944666
                   +0 :              -0.00000232822298
                   +1 :               0.00001163715776
                   +2 :               0.00000076597437
             11 vec=    -7.989708     13.112993      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000262258637
                2s
                   +0 :               0.00002647879255
                3s
                   +0 :               0.00000539877717
                2p
                   -1 :               0.00008130931984
                   +0 :              -0.00000096790552
                   +1 :              -0.00005596486985
                3p
                   -1 :              -0.00001531928663
                   +0 :               0.00003252295349
                   +1 :               0.00000273514338
                3d
                   -2 :              -0.00000318778380
                   -1 :               0.00000161996686
                   +0 :               0.00000137152991
                   +1 :              -0.00000282757352
                   +2 :               0.00000309400662
             12 vec=     7.570617    -13.838281      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000672814880
                2s
                   +0 :               0.00003476287619
                3s
                   +0 :              -0.00000797705735
                2p
                   -1 :               0.00004060752051
                   +0 :               0.00001117972128
                   +1 :               0.00000684630002
                3p
                   -1 :              -0.00005540965536
                   +0 :               0.00003638588151
                   +1 :              -0.00002135684800
                3d
                   -2 :               0.00000075245249
                   -1 :              -0.00000162172950
                   +0 :               0.00000234912934
                   +1 :              -0.00000224067470
                   +2 :              -0.00000223874935
             13 vec=   -15.769871     -0.362644      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001505184225
                2s
                   +0 :               0.00021668395241
                3s
                   +0 :               0.00001313809458
                2p
                   -1 :               0.00004073393320
                   +0 :               0.00006579089143
                   +1 :              -0.00006767147212
                3p
                   -1 :               0.00000200925231
                   +0 :               0.00001583801103
                   +1 :              -0.00005835483733
                3d
                   -2 :              -0.00000666358555
                   -1 :               0.00000736629995
                   +0 :               0.00000291128760
                   +1 :              -0.00001221886766
                   +2 :               0.00000870445299
             14 vec=    -7.989708    -13.838281      8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00001464787778
                2s
                   +0 :               0.00018499275527
                3s
                   +0 :              -0.00001695179376
                2p
                   -1 :              -0.00006822909183
                   +0 :               0.00008065843947
                   +1 :               0.00006124871696
                3p
                   -1 :              -0.00001286047423
                   +0 :              -0.00004725366838
                   +1 :              -0.00005432352998
                3d
                   -2 :              -0.00000268882175
                   -1 :               0.00000257194457
                   +0 :              -0.00000301998049
                   +1 :              -0.00000363344871
                   +2 :              -0.00000208099190
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 22)  npairs=  14
              1 vec=    -2.593128     -1.739405     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00220145993282
                2s
                   +0 :              -0.05248132853362
                3s
                   +0 :               0.00333582162200
                2p
                   -1 :               0.01760274779957
                   +0 :               0.02181907347510
                   +1 :               0.02308342311189
                3p
                   -1 :              -0.00420022338154
                   +0 :               0.00165721681252
                   +1 :              -0.00327606729661
                3d
                   -2 :              -0.00114380499255
                   -1 :              -0.00205182040723
                   +0 :              -0.00117627948479
                   +1 :              -0.00197532877225
                   +2 :               0.00007263370686
              2 vec=     5.187034      2.752474     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00073456493854
                2s
                   +0 :              -0.00135857988732
                3s
                   +0 :               0.00206040860560
                2p
                   -1 :              -0.00231651651912
                   +0 :               0.00408333102768
                   +1 :              -0.00612079505404
                3p
                   -1 :              -0.00007193098179
                   +0 :              -0.00210226200204
                   +1 :               0.00128544604323
                3d
                   -2 :               0.00165041892155
                   -1 :              -0.00095623476752
                   +0 :              -0.00059745588689
                   +1 :              -0.00198475313706
                   +2 :               0.00152007761294
              3 vec=    -2.593128      7.244353     -4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00012873042351
                2s
                   +0 :              -0.00184378953200
                3s
                   +0 :              -0.00039981323069
                2p
                   -1 :              -0.00271270290671
                   +0 :              -0.00216002238490
                   +1 :               0.00251306032836
                3p
                   -1 :               0.00048377457873
                   +0 :               0.00011526760426
                   +1 :              -0.00079133985232
                3d
                   -2 :               0.00010449660600
                   -1 :              -0.00025257496753
                   +0 :               0.00021849220677
                   +1 :               0.00005026350238
                   +2 :               0.00018008480718
              4 vec=     5.187034     -6.231284     -4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00026781954513
                2s
                   +0 :              -0.00220208779217
                3s
                   +0 :               0.00043170482369
                2p
                   -1 :               0.00231385083023
                   +0 :              -0.00076912149816
                   +1 :              -0.00031404043393
                3p
                   -1 :              -0.00039298449728
                   +0 :              -0.00033791693781
                   +1 :              -0.00084942768134
                3d
                   -2 :               0.00027813499066
                   -1 :              -0.00000318753933
                   +0 :               0.00018649279647
                   +1 :              -0.00012826139277
                   +2 :               0.00002096908142
              5 vec=   -10.373291      2.752474     -4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00002108487851
                2s
                   +0 :              -0.00070236858401
                3s
                   +0 :              -0.00003177401987
                2p
                   -1 :               0.00074908939926
                   +0 :              -0.00042131294973
                   +1 :               0.00121891422017
                3p
                   -1 :              -0.00062195713182
                   +0 :               0.00013762620719
                   +1 :              -0.00033272092222
                3d
                   -2 :               0.00002613618511
                   -1 :              -0.00000587747618
                   +0 :              -0.00002899699507
                   +1 :               0.00001800479046
                   +2 :               0.00002582750962
              6 vec=    -2.593128    -10.723163     -4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00014066080033
                2s
                   +0 :              -0.00122885335989
                3s
                   +0 :               0.00030756758220
                2p
                   -1 :               0.00150362775014
                   +0 :              -0.00026992725558
                   +1 :               0.00001195807359
                3p
                   -1 :              -0.00083694006124
                   +0 :               0.00001684434337
                   +1 :               0.00021292065641
                3d
                   -2 :               0.00000579862992
                   -1 :               0.00000535506110
                   +0 :              -0.00002899199306
                   +1 :              -0.00003559674636
                   +2 :               0.00000065776210
              7 vec=   -10.373291     -6.231284     -4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00002663001279
                2s
                   +0 :              -0.00031406954092
                3s
                   +0 :              -0.00000649556612
                2p
                   -1 :              -0.00016126215638
                   +0 :              -0.00001148295136
                   +1 :               0.00045900763454
                3p
                   -1 :               0.00025984636883
                   +0 :               0.00002262149729
                   +1 :              -0.00010713869899
                3d
                   -2 :              -0.00004985599129
                   -1 :              -0.00002057035404
                   +0 :               0.00001165950142
                   +1 :              -0.00002746088001
                   +2 :               0.00001829764749
              8 vec=     5.187034     11.736232     -4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00005257577534
                2s
                   +0 :               0.00040487754696
                3s
                   +0 :              -0.00015104172318
                2p
                   -1 :               0.00013027578585
                   +0 :               0.00017624163725
                   +1 :              -0.00106396562814
                3p
                   -1 :              -0.00001860012549
                   +0 :               0.00003909721642
                   +1 :               0.00035512041088
                3d
                   -2 :              -0.00001518347204
                   -1 :               0.00001086289691
                   +0 :              -0.00003332704919
                   +1 :              -0.00000462442794
                   +2 :               0.00000007660259
              9 vec=    12.967197     -1.739405     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00014478562048
                2s
                   +0 :               0.00129021949938
                3s
                   +0 :              -0.00033348452636
                2p
                   -1 :              -0.00147333802057
                   +0 :               0.00017431029341
                   +1 :               0.00010502592088
                3p
                   -1 :               0.00058019838326
                   +0 :              -0.00008671579069
                   +1 :              -0.00009607879654
                3d
                   -2 :              -0.00001148737856
                   -1 :               0.00002157465431
                   +0 :               0.00000010315122
                   +1 :               0.00001674994371
                   +2 :              -0.00003122323004
             10 vec=    12.967197      7.244353     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00007835370223
                2s
                   +0 :               0.00078704806260
                3s
                   +0 :              -0.00010165449506
                2p
                   -1 :               0.00014009372496
                   +0 :              -0.00006666225323
                   +1 :               0.00037253292766
                3p
                   -1 :               0.00004075146126
                   +0 :               0.00019499790810
                   +1 :              -0.00016068838371
                3d
                   -2 :              -0.00000888782794
                   -1 :               0.00004415428445
                   +0 :              -0.00004936097072
                   +1 :               0.00003459347825
                   +2 :              -0.00003073371246
             11 vec=   -10.373291     11.736232     -4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00004372340592
                2s
                   +0 :              -0.00042798821991
                3s
                   +0 :               0.00005686556498
                2p
                   -1 :              -0.00003985414095
                   +0 :              -0.00008982668417
                   +1 :               0.00030124061688
                3p
                   -1 :              -0.00004874755152
                   +0 :               0.00002399072726
                   +1 :              -0.00005351076016
                3d
                   -2 :               0.00000077846026
                   -1 :              -0.00000582567146
                   +0 :               0.00001936548045
                   +1 :              -0.00000876154777
                   +2 :               0.00000004430660
             12 vec=     5.187034    -15.215042     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00004850117038
                2s
                   +0 :              -0.00044889717070
                3s
                   +0 :               0.00008740085580
                2p
                   -1 :               0.00021580714812
                   +0 :              -0.00017071256883
                   +1 :               0.00002268790196
                3p
                   -1 :              -0.00000649571239
                   +0 :               0.00009934070052
                   +1 :              -0.00005297182936
                3d
                   -2 :              -0.00000179222045
                   -1 :              -0.00000856197426
                   +0 :               0.00001059845743
                   +1 :              -0.00000435823131
                   +2 :               0.00000426970150
             13 vec=    -2.593128     16.228111     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00004109954554
                2s
                   +0 :              -0.00038241672973
                3s
                   +0 :               0.00007269955317
                2p
                   -1 :              -0.00017901225261
                   +0 :              -0.00002076074996
                   +1 :               0.00009019225841
                3p
                   -1 :               0.00005210198468
                   +0 :               0.00002201737139
                   +1 :              -0.00006644562534
                3d
                   -2 :              -0.00000378517014
                   -1 :               0.00000269503551
                   +0 :              -0.00000170862567
                   +1 :              -0.00000040080362
                   +2 :               0.00000800713378
             14 vec=    12.967197    -10.723163     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00001797764409
                2s
                   +0 :              -0.00015353566933
                3s
                   +0 :               0.00003537156884
                2p
                   -1 :               0.00000515314399
                   +0 :               0.00002530115193
                   +1 :              -0.00007209610506
                3p
                   -1 :              -0.00000834350415
                   +0 :              -0.00002336355622
                   +1 :              -0.00000440158250
                3d
                   -2 :              -0.00000163344669
                   -1 :              -0.00000193166403
                   +0 :               0.00000215216474
                   +1 :               0.00000325330120
                   +2 :               0.00000038882478
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 23)  npairs=  14
              1 vec=     2.174037     -1.739405     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00345391211257
                2s
                   +0 :              -0.07406158394401
                3s
                   +0 :               0.00619444267815
                2p
                   -1 :               0.01933800983328
                   +0 :               0.03377799281618
                   +1 :              -0.02542792441177
                3p
                   -1 :              -0.00528388607328
                   +0 :              -0.00620673683377
                   +1 :               0.00654542720844
                3d
                   -2 :               0.00072117443998
                   -1 :              -0.00034678631519
                   +0 :              -0.00023080103945
                   +1 :               0.00047197506717
                   +2 :               0.00036126385604
              2 vec=    -5.606126      2.752474     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00087296566124
                2s
                   +0 :              -0.00754868723214
                3s
                   +0 :               0.00232232031779
                2p
                   -1 :              -0.00271791674028
                   +0 :               0.00185098947656
                   +1 :               0.00497454661946
                3p
                   -1 :               0.00156909482534
                   +0 :              -0.00106436862517
                   +1 :              -0.00142679050477
                3d
                   -2 :              -0.00016725369274
                   -1 :               0.00002171779952
                   +0 :              -0.00026864866831
                   +1 :               0.00002799959667
                   +2 :              -0.00005903623509
              3 vec=     2.174037      7.244353     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00005812581274
                2s
                   +0 :              -0.00022819082836
                3s
                   +0 :               0.00016895583363
                2p
                   -1 :              -0.00289027418570
                   +0 :              -0.00228303491586
                   +1 :              -0.00024311804883
                3p
                   -1 :               0.00157517570857
                   +0 :               0.00045795443707
                   +1 :              -0.00128282914462
                3d
                   -2 :              -0.00014228361897
                   -1 :              -0.00020473402794
                   +0 :              -0.00000456620942
                   +1 :              -0.00007476616646
                   +2 :              -0.00003016779696
              4 vec=    -5.606126     -6.231284     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00031165640563
                2s
                   +0 :              -0.00233184112255
                3s
                   +0 :               0.00081715080746
                2p
                   -1 :               0.00123076667553
                   +0 :               0.00016356330375
                   +1 :               0.00014126501723
                3p
                   -1 :              -0.00013708019446
                   +0 :              -0.00088003880767
                   +1 :               0.00057571107620
                3d
                   -2 :              -0.00016761107193
                   -1 :               0.00002906350282
                   +0 :              -0.00002956859889
                   +1 :               0.00008399533745
                   +2 :              -0.00007071006449
              5 vec=     9.954199      2.752474     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00068403581882
                2s
                   +0 :               0.00695543923950
                3s
                   +0 :              -0.00080363882665
                2p
                   -1 :               0.00159256590812
                   +0 :               0.00262250651314
                   +1 :               0.00040495583431
                3p
                   -1 :              -0.00167018730763
                   +0 :              -0.00109947099670
                   +1 :               0.00139367898783
                3d
                   -2 :              -0.00018107665452
                   -1 :              -0.00005069171571
                   +0 :              -0.00022666147956
                   +1 :               0.00017549614981
                   +2 :               0.00031231868792
              6 vec=     2.174037    -10.723163     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00008805495771
                2s
                   +0 :               0.00032070643172
                3s
                   +0 :              -0.00052897398127
                2p
                   -1 :              -0.00052030450149
                   +0 :              -0.00052948314254
                   +1 :              -0.00052454518463
                3p
                   -1 :               0.00073133254216
                   +0 :               0.00026797442908
                   +1 :               0.00031922249373
                3d
                   -2 :              -0.00003393390216
                   -1 :              -0.00012295138972
                   +0 :               0.00012344979633
                   +1 :              -0.00000410411583
                   +2 :               0.00014754376667
              7 vec=     9.954199     -6.231284     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00008074960682
                2s
                   +0 :              -0.00093054532479
                3s
                   +0 :               0.00009164934031
                2p
                   -1 :              -0.00038699488153
                   +0 :               0.00053284787883
                   +1 :              -0.00078428646377
                3p
                   -1 :               0.00012151993805
                   +0 :              -0.00017390892041
                   +1 :               0.00027622812632
                3d
                   -2 :               0.00002224247173
                   -1 :               0.00001086587754
                   +0 :              -0.00002881050140
                   +1 :              -0.00000413367975
                   +2 :              -0.00000259466639
              8 vec=    -5.606126     11.736232     -4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00007611789262
                2s
                   +0 :              -0.00100135954634
                3s
                   +0 :              -0.00005120844627
                2p
                   -1 :              -0.00046449282830
                   +0 :              -0.00021982678293
                   +1 :               0.00081330872927
                3p
                   -1 :              -0.00025087130549
                   +0 :               0.00025166647815
                   +1 :              -0.00025023663602
                3d
                   -2 :               0.00005371205044
                   -1 :               0.00005221113600
                   +0 :              -0.00001048539935
                   +1 :              -0.00001755324984
                   +2 :               0.00002002162194
              9 vec=   -13.386289     -1.739405     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00000872352989
                2s
                   +0 :              -0.00002764103834
                3s
                   +0 :              -0.00007600067163
                2p
                   -1 :              -0.00011141760340
                   +0 :              -0.00011680445029
                   +1 :               0.00003754946827
                3p
                   -1 :               0.00011059847031
                   +0 :               0.00000278671518
                   +1 :               0.00011784690278
                3d
                   -2 :              -0.00001886380027
                   -1 :               0.00000599682265
                   +0 :               0.00002574794051
                   +1 :              -0.00001247753533
                   +2 :              -0.00001024771615
             10 vec=   -13.386289      7.244353     -4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00002580197738
                2s
                   +0 :              -0.00028904438153
                3s
                   +0 :               0.00003815548216
                2p
                   -1 :              -0.00019477937581
                   +0 :              -0.00011421211688
                   +1 :               0.00016913034314
                3p
                   -1 :               0.00008699943952
                   +0 :               0.00005105647515
                   +1 :              -0.00000194557175
                3d
                   -2 :              -0.00000500084398
                   -1 :               0.00000538507541
                   +0 :               0.00000371423426
                   +1 :              -0.00000049283601
                   +2 :              -0.00000089383691
             11 vec=     9.954199     11.736232     -4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00012895758403
                2s
                   +0 :               0.00134513001446
                3s
                   +0 :              -0.00023868308174
                2p
                   -1 :               0.00093512901639
                   +0 :               0.00008740642732
                   +1 :               0.00055239755682
                3p
                   -1 :              -0.00021844329510
                   +0 :              -0.00005052417002
                   +1 :              -0.00024769340402
                3d
                   -2 :               0.00002458418745
                   -1 :              -0.00003273486267
                   +0 :              -0.00000394831307
                   +1 :              -0.00001023413732
                   +2 :              -0.00001920582776
             12 vec=    -5.606126    -15.215042     -4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00001369156401
                2s
                   +0 :              -0.00021895550018
                3s
                   +0 :              -0.00001275839594
                2p
                   -1 :               0.00013522344092
                   +0 :              -0.00008101928624
                   +1 :               0.00008183158429
                3p
                   -1 :               0.00002084645967
                   +0 :               0.00003054723891
                   +1 :               0.00001354033230
                3d
                   -2 :              -0.00001717319666
                   -1 :              -0.00000372652325
                   +0 :               0.00001381418131
                   +1 :              -0.00000259983981
                   +2 :               0.00002113915229
             13 vec=     2.174037     16.228111     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00001909796205
                2s
                   +0 :              -0.00015802919527
                3s
                   +0 :               0.00005668785438
                2p
                   -1 :              -0.00012988968871
                   +0 :              -0.00008396751974
                   +1 :              -0.00032378061224
                3p
                   -1 :               0.00006805444991
                   +0 :               0.00008044944305
                   +1 :               0.00011833408812
                3d
                   -2 :              -0.00000668675367
                   -1 :               0.00001122303122
                   +0 :               0.00000111215600
                   +1 :               0.00000401411315
                   +2 :               0.00000257745186
             14 vec=   -13.386289    -10.723163     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00001189360342
                2s
                   +0 :              -0.00008727208027
                3s
                   +0 :               0.00002681270595
                2p
                   -1 :               0.00001058279265
                   +0 :              -0.00006435749885
                   +1 :               0.00007637012755
                3p
                   -1 :               0.00001579484292
                   +0 :               0.00001968957676
                   +1 :              -0.00002762972436
                3d
                   -2 :               0.00000206559750
                   -1 :              -0.00000081631474
                   +0 :               0.00000328865412
                   +1 :              -0.00000297408176
                   +2 :               0.00000082234304
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 24)  npairs=  14
              1 vec=    -0.209546      3.115867     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00340322861026
                2s
                   +0 :              -0.05586954011439
                3s
                   +0 :               0.00471848321985
                2p
                   -1 :              -0.02197414079485
                   +0 :               0.01846299767873
                   +1 :              -0.00257690683388
                3p
                   -1 :               0.00374111418403
                   +0 :              -0.00014498475646
                   +1 :               0.00270466462522
                3d
                   -2 :               0.00061359373298
                   -1 :               0.00226649300154
                   +0 :              -0.00077664015288
                   +1 :               0.00017475556049
                   +2 :              -0.00029048107513
              2 vec=    -0.209546     -5.867891     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00079647477106
                2s
                   +0 :              -0.00664950862919
                3s
                   +0 :               0.00179293539479
                2p
                   -1 :               0.00268616637737
                   +0 :               0.00305624044294
                   +1 :              -0.00008238097018
                3p
                   -1 :               0.00009322455673
                   +0 :              -0.00278224732425
                   +1 :               0.00052758543239
                3d
                   -2 :              -0.00033469944535
                   -1 :               0.00019797216324
                   +0 :               0.00041648722722
                   +1 :               0.00005909598845
                   +2 :              -0.00006277315687
              3 vec=     7.570617     -1.376012     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00012885385469
                2s
                   +0 :               0.00211419724385
                3s
                   +0 :              -0.00019437694538
                2p
                   -1 :              -0.00242508146359
                   +0 :              -0.00142811226964
                   +1 :              -0.00068672751965
                3p
                   -1 :               0.00090443423651
                   +0 :               0.00037103231479
                   +1 :              -0.00040335498643
                3d
                   -2 :              -0.00002160715922
                   -1 :              -0.00015180951934
                   +0 :               0.00004319468501
                   +1 :              -0.00009906927268
                   +2 :              -0.00010198816605
              4 vec=    -7.989708     -1.376012     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00001515773034
                2s
                   +0 :               0.00002237439673
                3s
                   +0 :              -0.00031118090807
                2p
                   -1 :              -0.00014698252542
                   +0 :              -0.00071537270935
                   +1 :               0.00188026077753
                3p
                   -1 :              -0.00003350186464
                   +0 :              -0.00039136586467
                   +1 :              -0.00098995081567
                3d
                   -2 :               0.00006536679460
                   -1 :               0.00007856638086
                   +0 :              -0.00002808727371
                   +1 :               0.00005538772266
                   +2 :              -0.00013405273685
              5 vec=     7.570617      7.607746     -4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00061879926973
                2s
                   +0 :               0.00557758663386
                3s
                   +0 :              -0.00117108133252
                2p
                   -1 :               0.00198017931777
                   +0 :               0.00105604148078
                   +1 :               0.00105296005039
                3p
                   -1 :              -0.00015200606414
                   +0 :              -0.00042754535262
                   +1 :              -0.00062138754913
                3d
                   -2 :               0.00012539885199
                   -1 :               0.00006257603710
                   +0 :              -0.00013723681742
                   +1 :              -0.00009144362796
                   +2 :              -0.00014283863408
              6 vec=    -7.989708      7.607746     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00000252017982
                2s
                   +0 :              -0.00054144777821
                3s
                   +0 :              -0.00014433477023
                2p
                   -1 :              -0.00036077450827
                   +0 :              -0.00000140151366
                   +1 :               0.00026491057145
                3p
                   -1 :              -0.00001122742348
                   +0 :              -0.00000829048592
                   +1 :               0.00008462982944
                3d
                   -2 :               0.00005579123035
                   -1 :               0.00002212351605
                   +0 :               0.00005802692217
                   +1 :              -0.00000044344697
                   +2 :               0.00002626551665
              7 vec=    -0.209546     12.099625     -4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00010471529926
                2s
                   +0 :              -0.00109409542399
                3s
                   +0 :               0.00008281972025
                2p
                   -1 :               0.00008395828834
                   +0 :              -0.00028484117544
                   +1 :              -0.00071366928893
                3p
                   -1 :              -0.00045324039580
                   +0 :               0.00042638840176
                   +1 :               0.00017954792531
                3d
                   -2 :               0.00000196458592
                   -1 :               0.00001553968455
                   +0 :               0.00002204773517
                   +1 :               0.00003866889110
                   +2 :               0.00003262848367
              8 vec=     7.570617    -10.359770     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00007901984542
                2s
                   +0 :              -0.00100296160432
                3s
                   +0 :               0.00021011758424
                2p
                   -1 :               0.00087340233300
                   +0 :               0.00005989599195
                   +1 :              -0.00026511116615
                3p
                   -1 :              -0.00025571069396
                   +0 :              -0.00008670001130
                   +1 :               0.00000038758193
                3d
                   -2 :              -0.00000648083605
                   -1 :              -0.00001254703517
                   +0 :               0.00000692082977
                   +1 :              -0.00001536009101
                   +2 :               0.00000820413165
              9 vec=    -7.989708    -10.359770     -4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00004202908515
                2s
                   +0 :              -0.00041474491013
                3s
                   +0 :               0.00011445234464
                2p
                   -1 :               0.00066995937835
                   +0 :              -0.00004704737590
                   +1 :               0.00024002531385
                3p
                   -1 :              -0.00037815505078
                   +0 :              -0.00011352994758
                   +1 :              -0.00010961264045
                3d
                   -2 :               0.00000112827347
                   -1 :               0.00000648781812
                   +0 :              -0.00000582953543
                   +1 :               0.00001629596257
                   +2 :              -0.00002638530037
             10 vec=    -0.209546    -14.851649     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00003142501594
                2s
                   +0 :              -0.00030790390105
                3s
                   +0 :               0.00003392306514
                2p
                   -1 :               0.00008438729966
                   +0 :              -0.00013749955979
                   +1 :              -0.00016278684118
                3p
                   -1 :               0.00006125694739
                   +0 :               0.00007287172672
                   +1 :               0.00013233898062
                3d
                   -2 :              -0.00000332116636
                   -1 :              -0.00000034208936
                   +0 :               0.00001700324701
                   +1 :               0.00000364353641
                   +2 :              -0.00000494042644
             11 vec=    15.350780      3.115867     -4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00016777135939
                2s
                   +0 :               0.00170257093632
                3s
                   +0 :              -0.00023773788387
                2p
                   -1 :               0.00035088078630
                   +0 :               0.00022147912054
                   +1 :               0.00147014917385
                3p
                   -1 :              -0.00018529102576
                   +0 :              -0.00012755652760
                   +1 :              -0.00040950219423
                3d
                   -2 :               0.00000608955666
                   -1 :               0.00001092122637
                   +0 :               0.00000198427489
                   +1 :              -0.00002611996431
                   +2 :               0.00003657763191
             12 vec=   -15.769871      3.115867     -4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00003865806958
                2s
                   +0 :              -0.00038614387631
                3s
                   +0 :               0.00005161548947
                2p
                   -1 :              -0.00006975704462
                   +0 :               0.00003745509326
                   +1 :               0.00016006836288
                3p
                   -1 :               0.00001578435465
                   +0 :              -0.00007198402037
                   +1 :               0.00006428642755
                3d
                   -2 :               0.00000501846985
                   -1 :               0.00000011845718
                   +0 :               0.00001351744268
                   +1 :               0.00000270647705
                   +2 :              -0.00001882840929
             13 vec=    15.350780     -5.867891     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000603874080
                2s
                   +0 :               0.00015016171307
                3s
                   +0 :              -0.00000160237395
                2p
                   -1 :              -0.00020023318878
                   +0 :               0.00000344674266
                   +1 :               0.00010947001835
                3p
                   -1 :              -0.00000160714010
                   +0 :              -0.00001259540859
                   +1 :              -0.00009400648032
                3d
                   -2 :              -0.00000805131079
                   -1 :              -0.00000097045718
                   +0 :               0.00000320245110
                   +1 :              -0.00000384684668
                   +2 :              -0.00001419185400
             14 vec=   -15.769871     -5.867891     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000251524132
                2s
                   +0 :               0.00001104033027
                3s
                   +0 :              -0.00002972688694
                2p
                   -1 :              -0.00000200705523
                   +0 :              -0.00008103219141
                   +1 :              -0.00003160938008
                3p
                   -1 :               0.00001241006363
                   +0 :               0.00002547158963
                   +1 :               0.00006701720470
                3d
                   -2 :               0.00000233679361
                   -1 :               0.00000260155829
                   +0 :               0.00000274609438
                   +1 :              -0.00000167640268
                   +2 :              -0.00000694456167
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 25)  npairs=  14
              1 vec=    -0.419351      0.000150     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00057980180235
                2s
                   +0 :              -0.00314542163276
                3s
                   +0 :               0.00164667723205
                2p
                   -1 :              -0.00279962011265
                   +0 :               0.00521904438387
                   +1 :               0.00072057443047
                3p
                   -1 :               0.00177712104939
                   +0 :              -0.00383994962899
                   +1 :              -0.00046063451176
                3d
                   -2 :               0.00006788512556
                   -1 :               0.00002316996865
                   +0 :               0.00070285942285
                   +1 :              -0.00008398133273
                   +2 :              -0.00007829452669
              2 vec=     7.360812     -4.491729     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00003164125733
                2s
                   +0 :              -0.00006554451048
                3s
                   +0 :              -0.00009506080082
                2p
                   -1 :               0.00022079567262
                   +0 :              -0.00009370175924
                   +1 :              -0.00057493652953
                3p
                   -1 :              -0.00027829224615
                   +0 :              -0.00005481333677
                   +1 :               0.00022828123272
                3d
                   -2 :              -0.00002092492204
                   -1 :              -0.00002010086799
                   +0 :               0.00005633656367
                   +1 :              -0.00003119463854
                   +2 :               0.00001766629680
              3 vec=     7.360812      4.492029     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00094583058062
                2s
                   +0 :               0.00941043266968
                3s
                   +0 :              -0.00168786854558
                2p
                   -1 :               0.00031067423988
                   +0 :              -0.00390859270295
                   +1 :               0.00010877575543
                3p
                   -1 :               0.00026934668883
                   +0 :               0.00083762018513
                   +1 :              -0.00004832478294
                3d
                   -2 :               0.00011794273488
                   -1 :              -0.00018365462785
                   +0 :               0.00033319704471
                   +1 :              -0.00009419664573
                   +2 :              -0.00000713758856
              4 vec=    -0.419351     -8.983608     -8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00000152593974
                2s
                   +0 :              -0.00081727929298
                3s
                   +0 :              -0.00017111813954
                2p
                   -1 :               0.00041533176406
                   +0 :              -0.00012474595628
                   +1 :               0.00019440465000
                3p
                   -1 :               0.00014548021199
                   +0 :               0.00009707079705
                   +1 :              -0.00020572276749
                3d
                   -2 :               0.00002340682467
                   -1 :              -0.00003072424020
                   +0 :               0.00001103547331
                   +1 :               0.00001909393531
                   +2 :               0.00000216120427
              5 vec=    -0.419351      8.983908     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00008810104785
                2s
                   +0 :              -0.00080171338065
                3s
                   +0 :               0.00010541419101
                2p
                   -1 :              -0.00102330320982
                   +0 :              -0.00003158432338
                   +1 :               0.00012453740748
                3p
                   -1 :               0.00048657028088
                   +0 :               0.00011006352618
                   +1 :              -0.00024063832298
                3d
                   -2 :               0.00002106719325
                   -1 :              -0.00000577074430
                   +0 :              -0.00003846399314
                   +1 :               0.00000089511223
                   +2 :              -0.00002306415772
              6 vec=    -8.199513     -4.491729     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00007842382278
                2s
                   +0 :              -0.00064772599345
                3s
                   +0 :               0.00019988573180
                2p
                   -1 :               0.00027108490886
                   +0 :              -0.00016021344555
                   +1 :               0.00073786018440
                3p
                   -1 :              -0.00014801556197
                   +0 :               0.00014589719298
                   +1 :              -0.00043305000201
                3d
                   -2 :               0.00002690564971
                   -1 :              -0.00003495269659
                   +0 :              -0.00004009391906
                   +1 :               0.00001356252784
                   +2 :               0.00002183307749
              7 vec=    -8.199513      4.492029     -8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00008687730624
                2s
                   +0 :              -0.00128935566346
                3s
                   +0 :               0.00014615294403
                2p
                   -1 :              -0.00069115334568
                   +0 :               0.00051814313040
                   +1 :               0.00085661560958
                3p
                   -1 :               0.00037621831499
                   +0 :              -0.00048135499674
                   +1 :              -0.00027219749578
                3d
                   -2 :              -0.00000230948364
                   -1 :               0.00000230288497
                   +0 :              -0.00000598145401
                   +1 :               0.00000923672101
                   +2 :              -0.00002364918426
              8 vec=    -0.419351      0.000150     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001691953561
                2s
                   +0 :              -0.00012139673057
                3s
                   +0 :               0.00007877010637
                2p
                   -1 :               0.00011977879537
                   +0 :              -0.00004169667224
                   +1 :              -0.00002918870229
                3p
                   -1 :              -0.00013014867797
                   +0 :               0.00008562124775
                   +1 :               0.00002659126917
                3d
                   -2 :               0.00000968019616
                   -1 :              -0.00000427444899
                   +0 :               0.00001116703152
                   +1 :               0.00000263499989
                   +2 :              -0.00000409703209
              9 vec=    15.140975      0.000150     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00004547973432
                2s
                   +0 :               0.00057871916598
                3s
                   +0 :              -0.00005284719239
                2p
                   -1 :              -0.00011833794636
                   +0 :               0.00005438343420
                   +1 :               0.00007971829121
                3p
                   -1 :              -0.00003236070194
                   +0 :              -0.00009405725946
                   +1 :               0.00008569557678
                3d
                   -2 :              -0.00000557047370
                   -1 :               0.00002069652540
                   +0 :              -0.00001812528642
                   +1 :              -0.00000365327865
                   +2 :               0.00000399498975
             10 vec=     7.360812    -13.475487     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00003586683476
                2s
                   +0 :              -0.00038980040318
                3s
                   +0 :               0.00005227675663
                2p
                   -1 :               0.00018866921472
                   +0 :               0.00010032808743
                   +1 :              -0.00017077988135
                3p
                   -1 :              -0.00004697733963
                   +0 :              -0.00002184200779
                   +1 :               0.00009071337884
                3d
                   -2 :               0.00000195042200
                   -1 :              -0.00001054115585
                   +0 :              -0.00000282151948
                   +1 :              -0.00000123186303
                   +2 :               0.00000860589698
             11 vec=     7.360812     13.475787     -8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00003565406016
                2s
                   +0 :               0.00030542249257
                3s
                   +0 :              -0.00007399129373
                2p
                   -1 :               0.00020686587510
                   +0 :               0.00006164414125
                   +1 :              -0.00024337598370
                3p
                   -1 :              -0.00009966707014
                   +0 :              -0.00001703462502
                   +1 :               0.00010055021115
                3d
                   -2 :              -0.00000309469858
                   -1 :               0.00000746242252
                   +0 :              -0.00000900522295
                   +1 :               0.00000480820250
                   +2 :               0.00000422397761
             12 vec=    -8.199513    -13.475487     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00001635380609
                2s
                   +0 :              -0.00018741370169
                3s
                   +0 :               0.00001118042752
                2p
                   -1 :               0.00008486836112
                   +0 :              -0.00005853925599
                   +1 :               0.00014467810676
                3p
                   -1 :              -0.00000309220938
                   +0 :               0.00005754367436
                   +1 :              -0.00004916493357
                3d
                   -2 :              -0.00000343741296
                   -1 :              -0.00000700078853
                   +0 :              -0.00000416872592
                   +1 :               0.00000010741222
                   +2 :               0.00000477010429
             13 vec=    -8.199513     13.475787     -8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00004795543311
                2s
                   +0 :              -0.00044443571260
                3s
                   +0 :               0.00008440805005
                2p
                   -1 :              -0.00009511234042
                   +0 :               0.00004178671986
                   +1 :               0.00000780289838
                3p
                   -1 :               0.00001300964403
                   +0 :               0.00002706868225
                   +1 :               0.00006174329924
                3d
                   -2 :               0.00000299432521
                   -1 :              -0.00000249131728
                   +0 :              -0.00000239208544
                   +1 :              -0.00000289651879
                   +2 :               0.00000058180603
             14 vec=   -15.979676      0.000150     -8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00000685028484
                2s
                   +0 :              -0.00011500618502
                3s
                   +0 :              -0.00000511119857
                2p
                   -1 :               0.00000536870643
                   +0 :              -0.00000398945544
                   +1 :               0.00003666949049
                3p
                   -1 :               0.00001553587411
                   +0 :              -0.00000022814177
                   +1 :               0.00003061036072
                3d
                   -2 :               0.00000142627072
                   -1 :              -0.00000314406919
                   +0 :               0.00000182705070
                   +1 :              -0.00000005387778
                   +2 :              -0.00000051353863
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 26)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00018475757282
                2s
                   +0 :              -0.00191463637009
                3s
                   +0 :              -0.00021324278918
                2p
                   -1 :              -0.00157142784969
                   +0 :               0.00048686411658
                   +1 :              -0.00025247501476
                3p
                   -1 :               0.00042168215943
                   +0 :               0.00113341110974
                   +1 :               0.00143212851416
                3d
                   -2 :               0.00005108145308
                   -1 :               0.00012679161492
                   +0 :              -0.00003656960391
                   +1 :              -0.00020290375524
                   +2 :              -0.00004576072246
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00066287334440
                2s
                   +0 :              -0.00690635280469
                3s
                   +0 :               0.00085351748723
                2p
                   -1 :               0.00339746012449
                   +0 :               0.00599115655884
                   +1 :               0.00021236452308
                3p
                   -1 :              -0.00079397581348
                   +0 :              -0.00083725676261
                   +1 :              -0.00060287810816
                3d
                   -2 :               0.00000594994657
                   -1 :              -0.00028402447125
                   +0 :              -0.00028670600750
                   +1 :               0.00003438221784
                   +2 :               0.00008488535228
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00029040860000
                2s
                   +0 :              -0.00275206439153
                3s
                   +0 :               0.00056296877797
                2p
                   -1 :              -0.00068806096555
                   +0 :               0.00158765682375
                   +1 :              -0.00107488459244
                3p
                   -1 :              -0.00006360315013
                   +0 :               0.00021232906709
                   +1 :              -0.00133734052896
                3d
                   -2 :              -0.00006196470295
                   -1 :               0.00005474714268
                   +0 :              -0.00007993605568
                   +1 :               0.00020102727108
                   +2 :              -0.00005988830421
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00004565685372
                2s
                   +0 :              -0.00082531450021
                3s
                   +0 :               0.00006817857789
                2p
                   -1 :               0.00022109390220
                   +0 :              -0.00027586524511
                   +1 :               0.00041501354917
                3p
                   -1 :               0.00004553763003
                   +0 :               0.00011885033927
                   +1 :              -0.00005049284397
                3d
                   -2 :              -0.00004084121908
                   -1 :              -0.00000035917208
                   +0 :               0.00005039221963
                   +1 :              -0.00000466112151
                   +2 :               0.00000557036193
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001666223143
                2s
                   +0 :              -0.00054032175845
                3s
                   +0 :              -0.00013428450302
                2p
                   -1 :              -0.00031247844619
                   +0 :              -0.00028744044011
                   +1 :              -0.00009863556815
                3p
                   -1 :               0.00008415843756
                   +0 :               0.00027796543830
                   +1 :               0.00010007467872
                3d
                   -2 :               0.00000484049180
                   -1 :              -0.00000848846347
                   +0 :              -0.00001424292552
                   +1 :              -0.00003501226980
                   +2 :              -0.00001577459264
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00007930258435
                2s
                   +0 :               0.00114583707662
                3s
                   +0 :              -0.00001174612148
                2p
                   -1 :              -0.00066721043610
                   +0 :              -0.00083113688818
                   +1 :               0.00024294468139
                3p
                   -1 :               0.00020356999450
                   +0 :               0.00029808364751
                   +1 :               0.00006308069323
                3d
                   -2 :              -0.00002617070663
                   -1 :              -0.00001345808255
                   +0 :              -0.00004412863811
                   +1 :              -0.00002915606642
                   +2 :               0.00003163524938
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000288858379
                2s
                   +0 :              -0.00005973494103
                3s
                   +0 :              -0.00003655227547
                2p
                   -1 :               0.00003054899562
                   +0 :              -0.00005247908353
                   +1 :               0.00014897879226
                3p
                   -1 :               0.00000357189024
                   +0 :               0.00004162924958
                   +1 :              -0.00006184964708
                3d
                   -2 :               0.00000041374858
                   -1 :               0.00000284911796
                   +0 :               0.00000101299774
                   +1 :              -0.00000639380208
                   +2 :               0.00000108150734
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00003943538650
                2s
                   +0 :              -0.00043834985760
                3s
                   +0 :               0.00006430453341
                2p
                   -1 :              -0.00006660589361
                   +0 :               0.00012904482098
                   +1 :               0.00021208242270
                3p
                   -1 :               0.00005087820805
                   +0 :              -0.00007927924324
                   +1 :              -0.00004558156924
                3d
                   -2 :              -0.00001587452487
                   -1 :               0.00000724269831
                   +0 :               0.00000684876018
                   +1 :               0.00001445465184
                   +2 :              -0.00000423516018
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00008079389315
                2s
                   +0 :              -0.00066437160723
                3s
                   +0 :               0.00017308098771
                2p
                   -1 :               0.00013613477508
                   +0 :               0.00021039283267
                   +1 :              -0.00000485943457
                3p
                   -1 :              -0.00000216879988
                   +0 :              -0.00010727105598
                   +1 :               0.00000477679651
                3d
                   -2 :               0.00000073488876
                   -1 :               0.00000362466751
                   +0 :              -0.00000426949316
                   +1 :              -0.00000167238550
                   +2 :               0.00001069735532
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00002682554745
                2s
                   +0 :              -0.00022299484531
                3s
                   +0 :               0.00004187289189
                2p
                   -1 :              -0.00004479497811
                   +0 :               0.00006098976274
                   +1 :              -0.00021149346908
                3p
                   -1 :               0.00004012898143
                   +0 :              -0.00001247475956
                   +1 :               0.00011055504202
                3d
                   -2 :               0.00000137398819
                   -1 :              -0.00000674817393
                   +0 :               0.00000484120550
                   +1 :              -0.00000229987843
                   +2 :               0.00000273688526
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000405149541
                2s
                   +0 :               0.00002432298053
                3s
                   +0 :               0.00000390070726
                2p
                   -1 :               0.00016333054691
                   +0 :               0.00026484696724
                   +1 :              -0.00020872175763
                3p
                   -1 :              -0.00011732853569
                   +0 :              -0.00018729100586
                   +1 :               0.00001958455294
                3d
                   -2 :              -0.00000779461782
                   -1 :              -0.00000115600027
                   +0 :               0.00000465948154
                   +1 :               0.00000016993217
                   +2 :               0.00000036660196
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00016529717841
                2s
                   +0 :               0.00157438026293
                3s
                   +0 :              -0.00032349050119
                2p
                   -1 :               0.00056090022448
                   +0 :               0.00012480750769
                   +1 :               0.00028881362919
                3p
                   -1 :              -0.00016173005075
                   +0 :              -0.00003975865875
                   +1 :              -0.00002051483127
                3d
                   -2 :               0.00000340810494
                   -1 :               0.00002095618982
                   +0 :               0.00000294073061
                   +1 :               0.00001684803639
                   +2 :               0.00000286196969
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002538464196
                2s
                   +0 :               0.00024152876163
                3s
                   +0 :              -0.00001620880055
                2p
                   -1 :              -0.00007844034116
                   +0 :               0.00010152744103
                   +1 :               0.00007401022098
                3p
                   -1 :               0.00000085145667
                   +0 :               0.00009053693219
                   +1 :              -0.00004370327753
                3d
                   -2 :              -0.00000545761741
                   -1 :              -0.00000728643705
                   +0 :               0.00000665551934
                   +1 :               0.00000177659234
                   +2 :               0.00000045147740
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00004834335309
                2s
                   +0 :               0.00033787036523
                3s
                   +0 :              -0.00012994501390
                2p
                   -1 :               0.00012018995364
                   +0 :               0.00019283521050
                   +1 :              -0.00000924718915
                3p
                   -1 :              -0.00007588638542
                   +0 :              -0.00008808885277
                   +1 :               0.00008510749228
                3d
                   -2 :              -0.00000305443592
                   -1 :              -0.00000051735933
                   +0 :              -0.00000946644067
                   +1 :               0.00001173237544
                   +2 :               0.00000258638194
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000251508671
                2s
                   +0 :               0.00004755329479
                3s
                   +0 :               0.00003168579522
                2p
                   -1 :              -0.00004121741960
                   +0 :               0.00011632528841
                   +1 :              -0.00012449711791
                3p
                   -1 :               0.00010035844049
                   +0 :               0.00002081349741
                   +1 :               0.00008909410023
                3d
                   -2 :               0.00000476222802
                   -1 :               0.00001328732058
                   +0 :              -0.00000257073070
                   +1 :              -0.00000201997784
                   +2 :              -0.00000072221063
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 27)  npairs=  15
              1 vec=    -2.802933      4.128636     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00047273637794
                2s
                   +0 :              -0.00576931355074
                3s
                   +0 :               0.00022448417259
                2p
                   -1 :               0.00077550931126
                   +0 :               0.00319314546885
                   +1 :               0.00267891484380
                3p
                   -1 :              -0.00096113482926
                   +0 :               0.00018337950238
                   +1 :              -0.00041518396180
                3d
                   -2 :               0.00000155682924
                   -1 :               0.00011257099852
                   +0 :              -0.00021209843147
                   +1 :              -0.00010695547002
                   +2 :              -0.00009033005221
              2 vec=     4.977229     -0.363243     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00018325434064
                2s
                   +0 :              -0.00089454906519
                3s
                   +0 :               0.00018952175912
                2p
                   -1 :              -0.00096831241411
                   +0 :               0.00177123318490
                   +1 :              -0.00254543803744
                3p
                   -1 :              -0.00072928837329
                   +0 :               0.00038291125908
                   +1 :              -0.00015075634064
                3d
                   -2 :              -0.00011087080636
                   -1 :               0.00018632238527
                   +0 :              -0.00013166327808
                   +1 :               0.00022716696829
                   +2 :              -0.00004823338274
              3 vec=    -2.802933     -4.855122     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00022990999596
                2s
                   +0 :              -0.00280983274411
                3s
                   +0 :              -0.00013376086592
                2p
                   -1 :               0.00291583572121
                   +0 :               0.00152046507928
                   +1 :              -0.00044508521233
                3p
                   -1 :              -0.00058250775070
                   +0 :               0.00085024021804
                   +1 :               0.00065800648498
                3d
                   -2 :               0.00001457292161
                   -1 :              -0.00011047531432
                   +0 :              -0.00006397515634
                   +1 :               0.00011594265455
                   +2 :               0.00003659616648
              4 vec=     4.977229      8.620515     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00007437092596
                2s
                   +0 :              -0.00022817861473
                3s
                   +0 :               0.00048573098956
                2p
                   -1 :               0.00004162864208
                   +0 :              -0.00031556024367
                   +1 :              -0.00094284014045
                3p
                   -1 :               0.00019759545975
                   +0 :               0.00010822616233
                   +1 :               0.00055644620723
                3d
                   -2 :               0.00004764408621
                   -1 :              -0.00003223949575
                   +0 :              -0.00001619276287
                   +1 :              -0.00008107441613
                   +2 :               0.00001372126996
              5 vec=   -10.583096     -0.363243     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00002105433278
                2s
                   +0 :              -0.00039924719276
                3s
                   +0 :              -0.00002534006835
                2p
                   -1 :               0.00035187747480
                   +0 :              -0.00037287210835
                   +1 :               0.00012894553060
                3p
                   -1 :              -0.00016486222029
                   +0 :               0.00030613542847
                   +1 :               0.00004693205302
                3d
                   -2 :               0.00002393963363
                   -1 :              -0.00001897897090
                   +0 :              -0.00005094041497
                   +1 :              -0.00000096389427
                   +2 :               0.00000560804092
              6 vec=     4.977229     -9.347001     -8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00005966920156
                2s
                   +0 :              -0.00084600680316
                3s
                   +0 :               0.00006885863187
                2p
                   -1 :               0.00017536150395
                   +0 :              -0.00022953028744
                   +1 :              -0.00042987986534
                3p
                   -1 :               0.00014690358092
                   +0 :               0.00007051327849
                   +1 :               0.00012333544552
                3d
                   -2 :               0.00000658839763
                   -1 :               0.00002267299459
                   +0 :               0.00001435587379
                   +1 :               0.00000484246741
                   +2 :               0.00002095914296
              7 vec=    -2.802933     13.112394     -8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00004751719743
                2s
                   +0 :              -0.00053401229101
                3s
                   +0 :               0.00009031414819
                2p
                   -1 :              -0.00026459749804
                   +0 :               0.00024248102371
                   +1 :               0.00009656855811
                3p
                   -1 :               0.00008528699474
                   +0 :              -0.00011145726204
                   +1 :              -0.00008620217770
                3d
                   -2 :               0.00000001046617
                   -1 :               0.00000588099957
                   +0 :               0.00002229190142
                   +1 :               0.00000594089354
                   +2 :               0.00000637888866
              8 vec=    12.757392      4.128636     -8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00011890655041
                2s
                   +0 :               0.00136255076535
                3s
                   +0 :              -0.00014856624269
                2p
                   -1 :               0.00012498105608
                   +0 :              -0.00028760707829
                   +1 :               0.00043895987523
                3p
                   -1 :              -0.00005332971586
                   +0 :               0.00009041550562
                   +1 :              -0.00010610215579
                3d
                   -2 :              -0.00000497948356
                   -1 :              -0.00002593867788
                   +0 :               0.00001119838457
                   +1 :               0.00001981583986
                   +2 :               0.00000067619954
              9 vec=   -10.583096      8.620515     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00002350755609
                2s
                   +0 :              -0.00035402382371
                3s
                   +0 :              -0.00001301881341
                2p
                   -1 :              -0.00002462899004
                   +0 :               0.00014468171120
                   +1 :               0.00007725845278
                3p
                   -1 :              -0.00008700687580
                   +0 :              -0.00005935542359
                   +1 :               0.00004126379335
                3d
                   -2 :               0.00001080753724
                   -1 :              -0.00000760020223
                   +0 :              -0.00000643717878
                   +1 :               0.00000520846364
                   +2 :               0.00000066608519
             10 vec=    12.757392     -4.855122     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00002408592615
                2s
                   +0 :               0.00021274015264
                3s
                   +0 :              -0.00007923716630
                2p
                   -1 :              -0.00008618238714
                   +0 :               0.00003047309645
                   +1 :              -0.00006101952133
                3p
                   -1 :              -0.00008183297065
                   +0 :               0.00003283029796
                   +1 :              -0.00003532505482
                3d
                   -2 :              -0.00000491653489
                   -1 :               0.00000579260242
                   +0 :              -0.00000280548686
                   +1 :               0.00001278101693
                   +2 :              -0.00000886914780
             11 vec=   -10.583096     -9.347001     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000628058672
                2s
                   +0 :              -0.00009646480682
                3s
                   +0 :               0.00000201045892
                2p
                   -1 :               0.00001290876287
                   +0 :              -0.00006379864812
                   +1 :              -0.00000806042696
                3p
                   -1 :               0.00002060374865
                   +0 :               0.00003475530499
                   +1 :               0.00005954427516
                3d
                   -2 :               0.00000528490035
                   -1 :              -0.00000003822828
                   +0 :               0.00000722130758
                   +1 :               0.00000618456535
                   +2 :              -0.00000185127295
             12 vec=    -2.802933    -13.838880     -8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00002003511597
                2s
                   +0 :              -0.00025818097726
                3s
                   +0 :               0.00000780166259
                2p
                   -1 :              -0.00005075720164
                   +0 :              -0.00008205033697
                   +1 :              -0.00001087546419
                3p
                   -1 :               0.00013503023374
                   +0 :               0.00009427380850
                   +1 :               0.00002292679026
                3d
                   -2 :              -0.00000409344433
                   -1 :              -0.00000666357277
                   +0 :              -0.00000638097901
                   +1 :               0.00000067735759
                   +2 :               0.00000244113310
             13 vec=    -2.802933      4.128636     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00002039492681
                2s
                   +0 :               0.00023164720472
                3s
                   +0 :              -0.00003136052964
                2p
                   -1 :               0.00000261662101
                   +0 :               0.00025633831523
                   +1 :               0.00016119201908
                3p
                   -1 :              -0.00000665328241
                   +0 :              -0.00008451202015
                   +1 :              -0.00003151082261
                3d
                   -2 :               0.00000839235672
                   -1 :              -0.00000604859927
                   +0 :              -0.00000330337875
                   +1 :               0.00001066340680
                   +2 :              -0.00000070499026
             14 vec=     4.977229     -0.363243     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00004058291851
                2s
                   +0 :               0.00029194737630
                3s
                   +0 :              -0.00010316612148
                2p
                   -1 :              -0.00004697120992
                   +0 :               0.00030985161333
                   +1 :               0.00024179785588
                3p
                   -1 :              -0.00001036903149
                   +0 :              -0.00017185183826
                   +1 :              -0.00015153178229
                3d
                   -2 :              -0.00000419837461
                   -1 :              -0.00000850669805
                   +0 :               0.00000000837572
                   +1 :              -0.00000345371925
                   +2 :              -0.00000040026562
             15 vec=    -2.802933     -4.855122     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001501741695
                2s
                   +0 :               0.00017499477319
                3s
                   +0 :               0.00000315814078
                2p
                   -1 :               0.00004869634070
                   +0 :               0.00016998271917
                   +1 :              -0.00000337958045
                3p
                   -1 :              -0.00000758718755
                   +0 :               0.00000807256713
                   +1 :              -0.00006440244551
                3d
                   -2 :              -0.00000608631847
                   -1 :               0.00000061983828
                   +0 :               0.00000321481323
                   +1 :              -0.00001327004171
                   +2 :               0.00000328874505
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 28)  npairs=  14
              1 vec=     2.593128     -1.739106      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00280189371072
                2s
                   +0 :               0.06256074457812
                3s
                   +0 :              -0.00446679099523
                2p
                   -1 :              -0.01207328458326
                   +0 :               0.02275916691657
                   +1 :               0.02671272053287
                3p
                   -1 :              -0.00400375276728
                   +0 :               0.00381827265978
                   +1 :              -0.00198839595897
                3d
                   -2 :              -0.00107773835262
                   -1 :              -0.00117972149648
                   +0 :               0.00143375874473
                   +1 :               0.00323387500523
                   +2 :               0.00054270368573
              2 vec=    -5.187034      2.752773      4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00016016862560
                2s
                   +0 :              -0.00157646856535
                3s
                   +0 :               0.00086513393643
                2p
                   -1 :               0.00166161901478
                   +0 :               0.00129924137301
                   +1 :               0.00054818357467
                3p
                   -1 :              -0.00049511937986
                   +0 :              -0.00076124514493
                   +1 :              -0.00146722517483
                3d
                   -2 :               0.00009517113842
                   -1 :              -0.00010138594887
                   +0 :              -0.00028749380816
                   +1 :               0.00007966754613
                   +2 :              -0.00005338226697
              3 vec=     2.593128      7.244652      4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00054861621542
                2s
                   +0 :              -0.00565364428717
                3s
                   +0 :               0.00111666096955
                2p
                   -1 :              -0.00196122400670
                   +0 :              -0.00395258851772
                   +1 :               0.00287711942750
                3p
                   -1 :               0.00101970110673
                   +0 :               0.00044156882168
                   +1 :              -0.00100737169515
                3d
                   -2 :               0.00012672060544
                   -1 :              -0.00026819233950
                   +0 :              -0.00024659301098
                   +1 :              -0.00023312434786
                   +2 :               0.00010523480633
              4 vec=    -5.187034     -6.230985      4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00003522309634
                2s
                   +0 :               0.00043372421775
                3s
                   +0 :               0.00047794566284
                2p
                   -1 :              -0.00221820680399
                   +0 :              -0.00134144330729
                   +1 :              -0.00195994307048
                3p
                   -1 :               0.00034559302187
                   +0 :               0.00014277549242
                   +1 :               0.00173883015474
                3d
                   -2 :              -0.00000089631875
                   -1 :               0.00014911727131
                   +0 :               0.00000611324478
                   +1 :               0.00008870484278
                   +2 :              -0.00016908846164
              5 vec=    10.373291      2.752773      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00027963778250
                2s
                   +0 :              -0.00179584214767
                3s
                   +0 :               0.00080637911663
                2p
                   -1 :              -0.00010204249592
                   +0 :               0.00065558760626
                   +1 :              -0.00133453659147
                3p
                   -1 :              -0.00009733076240
                   +0 :              -0.00060203294101
                   +1 :               0.00096933591055
                3d
                   -2 :              -0.00005636425041
                   -1 :               0.00000150341964
                   +0 :              -0.00005275332502
                   +1 :              -0.00002894495641
                   +2 :               0.00004786322534
              6 vec=     2.593128    -10.722864      4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00003413484277
                2s
                   +0 :              -0.00002884689955
                3s
                   +0 :               0.00021297873829
                2p
                   -1 :              -0.00020189251466
                   +0 :              -0.00026657794098
                   +1 :               0.00010606193433
                3p
                   -1 :              -0.00008797694737
                   +0 :               0.00015262707975
                   +1 :              -0.00006395752609
                3d
                   -2 :              -0.00000449668262
                   -1 :              -0.00000482348425
                   +0 :              -0.00002800408989
                   +1 :              -0.00000991581635
                   +2 :              -0.00001435803219
              7 vec=    10.373291     -6.230985      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00009987089120
                2s
                   +0 :              -0.00069332877295
                3s
                   +0 :               0.00027813125551
                2p
                   -1 :               0.00060056215018
                   +0 :              -0.00011038624281
                   +1 :              -0.00015396469124
                3p
                   -1 :              -0.00029565858602
                   +0 :               0.00024822823411
                   +1 :               0.00012932587548
                3d
                   -2 :               0.00000464876933
                   -1 :              -0.00000233183533
                   +0 :              -0.00003649140329
                   +1 :               0.00002921893338
                   +2 :               0.00000270684428
              8 vec=    -5.187034     11.736531      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00007499686362
                2s
                   +0 :               0.00075554998868
                3s
                   +0 :              -0.00021346322965
                2p
                   -1 :               0.00084714292241
                   +0 :              -0.00002158030203
                   +1 :              -0.00053710313296
                3p
                   -1 :              -0.00025087738348
                   +0 :               0.00003132859032
                   +1 :               0.00027594002639
                3d
                   -2 :              -0.00000360526938
                   -1 :               0.00000494978400
                   +0 :              -0.00001481830893
                   +1 :              -0.00001585732269
                   +2 :              -0.00003946533330
              9 vec=   -12.967197     -1.739106      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00002461940609
                2s
                   +0 :               0.00067593445737
                3s
                   +0 :               0.00008640916657
                2p
                   -1 :               0.00007929869940
                   +0 :               0.00011807099484
                   +1 :              -0.00080670907110
                3p
                   -1 :              -0.00005851219882
                   +0 :              -0.00008516211706
                   +1 :               0.00023704339179
                3d
                   -2 :               0.00001322845826
                   -1 :               0.00002066187294
                   +0 :              -0.00000219087900
                   +1 :               0.00003097890265
                   +2 :               0.00001745048942
             10 vec=   -12.967197      7.244652      4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00004443892393
                2s
                   +0 :              -0.00025484070876
                3s
                   +0 :               0.00011977169841
                2p
                   -1 :              -0.00002690540534
                   +0 :              -0.00008511427460
                   +1 :               0.00012027424463
                3p
                   -1 :               0.00007337624845
                   +0 :               0.00004242081315
                   +1 :              -0.00010123482910
                3d
                   -2 :              -0.00000959512327
                   -1 :               0.00000268346797
                   +0 :               0.00000155141851
                   +1 :              -0.00000365320549
                   +2 :               0.00000180905887
             11 vec=    10.373291     11.736531      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00002412083126
                2s
                   +0 :              -0.00018526188170
                3s
                   +0 :               0.00007374052012
                2p
                   -1 :              -0.00020987070344
                   +0 :              -0.00002133620839
                   +1 :              -0.00012916156286
                3p
                   -1 :               0.00023328123380
                   +0 :               0.00001293682629
                   +1 :               0.00004429830763
                3d
                   -2 :               0.00001305850178
                   -1 :               0.00000414442882
                   +0 :              -0.00000585112224
                   +1 :              -0.00000845022773
                   +2 :              -0.00001811812671
             12 vec=    -5.187034    -15.214743      4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00000913223005
                2s
                   +0 :               0.00012005270879
                3s
                   +0 :              -0.00000151570811
                2p
                   -1 :               0.00003797453992
                   +0 :              -0.00008881938557
                   +1 :              -0.00002103283183
                3p
                   -1 :              -0.00012232868509
                   +0 :               0.00004089269394
                   +1 :               0.00002800141659
                3d
                   -2 :               0.00000657989670
                   -1 :               0.00000337815765
                   +0 :              -0.00000877053025
                   +1 :              -0.00000039902212
                   +2 :              -0.00000831593810
             13 vec=     2.593128     16.228410      4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00001521350007
                2s
                   +0 :              -0.00013753452129
                3s
                   +0 :               0.00003191227555
                2p
                   -1 :              -0.00003154233371
                   +0 :               0.00007335636610
                   +1 :               0.00000553763604
                3p
                   -1 :               0.00004900641465
                   +0 :              -0.00004058292465
                   +1 :              -0.00002315335593
                3d
                   -2 :              -0.00000281306951
                   -1 :              -0.00000380639640
                   +0 :              -0.00000172857250
                   +1 :               0.00000052423672
                   +2 :               0.00000206277617
             14 vec=   -12.967197    -10.722864      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00001799848837
                2s
                   +0 :               0.00022257736358
                3s
                   +0 :              -0.00001326225675
                2p
                   -1 :               0.00003436688530
                   +0 :              -0.00005810931175
                   +1 :              -0.00013327717177
                3p
                   -1 :              -0.00006952900331
                   +0 :               0.00002777687720
                   +1 :               0.00005146525632
                3d
                   -2 :               0.00000625996329
                   -1 :               0.00000314560548
                   +0 :               0.00000206868415
                   +1 :               0.00000353192151
                   +2 :               0.00000186316778
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 29)  npairs=  14
              1 vec=    -0.418832      2.752773      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00298334776142
                2s
                   +0 :               0.08434529336982
                3s
                   +0 :              -0.00524634448304
                2p
                   -1 :               0.04009900274594
                   +0 :               0.04692110623882
                   +1 :              -0.00644010869433
                3p
                   -1 :              -0.00530827177401
                   +0 :              -0.00755491572467
                   +1 :               0.00067372774609
                3d
                   -2 :              -0.00083060073281
                   -1 :               0.00189574400912
                   +0 :               0.00090738498739
                   +1 :              -0.00019927967708
                   +2 :              -0.00221574308555
              2 vec=    -0.418832     -6.230985      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00039237266278
                2s
                   +0 :               0.00320071484794
                3s
                   +0 :              -0.00120392626363
                2p
                   -1 :              -0.00429042626647
                   +0 :               0.00147365969642
                   +1 :               0.00213451836194
                3p
                   -1 :               0.00199388935195
                   +0 :              -0.00031787032165
                   +1 :              -0.00167283936552
                3d
                   -2 :              -0.00008060645687
                   -1 :               0.00011833863822
                   +0 :               0.00047536222643
                   +1 :              -0.00004430178409
                   +2 :               0.00022417655180
              3 vec=     7.361331     -1.739106      4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00006318222871
                2s
                   +0 :              -0.00199779509210
                3s
                   +0 :              -0.00056337067565
                2p
                   -1 :               0.00090885961386
                   +0 :              -0.00498277632059
                   +1 :               0.00271132079926
                3p
                   -1 :               0.00124999418325
                   +0 :               0.00073733086020
                   +1 :              -0.00144963561354
                3d
                   -2 :               0.00025233531456
                   -1 :               0.00017072688626
                   +0 :              -0.00013482747955
                   +1 :              -0.00039433402452
                   +2 :               0.00009801173483
              4 vec=    -8.198995     -1.739106      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00041452917291
                2s
                   +0 :               0.00326124940560
                3s
                   +0 :              -0.00093446634691
                2p
                   -1 :               0.00018763543757
                   +0 :               0.00059945357443
                   +1 :              -0.00311085385479
                3p
                   -1 :               0.00027408517428
                   +0 :              -0.00157785028531
                   +1 :               0.00079635878726
                3d
                   -2 :              -0.00003684222600
                   -1 :               0.00000526286258
                   +0 :              -0.00000989693109
                   +1 :               0.00020258570457
                   +2 :               0.00007958322334
              5 vec=     7.361331      7.244652      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00019326987611
                2s
                   +0 :              -0.00113295178627
                3s
                   +0 :               0.00034562849574
                2p
                   -1 :               0.00110629837948
                   +0 :               0.00120568924203
                   +1 :              -0.00064601055757
                3p
                   -1 :              -0.00100460209902
                   +0 :              -0.00126829163872
                   +1 :               0.00029685328108
                3d
                   -2 :              -0.00011768420214
                   -1 :              -0.00005689029482
                   +0 :               0.00007483917589
                   +1 :              -0.00001965738318
                   +2 :               0.00006196161665
              6 vec=    -8.198995      7.244652      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00002180979487
                2s
                   +0 :               0.00001051869261
                3s
                   +0 :               0.00003682696407
                2p
                   -1 :               0.00001493777681
                   +0 :              -0.00007914957705
                   +1 :              -0.00047333042636
                3p
                   -1 :              -0.00005573131061
                   +0 :              -0.00011165633200
                   +1 :               0.00051375515550
                3d
                   -2 :               0.00001287136641
                   -1 :               0.00001346288946
                   +0 :               0.00000091356011
                   +1 :              -0.00003827532857
                   +2 :               0.00000705540716
              7 vec=    -0.418832     11.736531      4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00003299753038
                2s
                   +0 :              -0.00032679265771
                3s
                   +0 :              -0.00005141352913
                2p
                   -1 :               0.00000210693962
                   +0 :               0.00008128605757
                   +1 :               0.00061818214198
                3p
                   -1 :              -0.00016626983084
                   +0 :               0.00001712167078
                   +1 :              -0.00022035741739
                3d
                   -2 :               0.00002873672623
                   -1 :              -0.00000513488682
                   +0 :               0.00001390939722
                   +1 :              -0.00000076150621
                   +2 :               0.00001282037046
              8 vec=     7.361331    -10.722864      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00000023978340
                2s
                   +0 :               0.00025539119646
                3s
                   +0 :               0.00016880975634
                2p
                   -1 :              -0.00021627216410
                   +0 :               0.00016436712166
                   +1 :              -0.00006691424321
                3p
                   -1 :              -0.00029670759487
                   +0 :               0.00000726308085
                   +1 :               0.00036623612892
                3d
                   -2 :              -0.00006325995404
                   -1 :              -0.00002891308058
                   +0 :              -0.00001902751486
                   +1 :               0.00001831648745
                   +2 :              -0.00002705171547
              9 vec=    -8.198995    -10.722864      4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00004997331386
                2s
                   +0 :               0.00060431004587
                3s
                   +0 :              -0.00002590509852
                2p
                   -1 :              -0.00012567852648
                   +0 :              -0.00003015925988
                   +1 :              -0.00001370266030
                3p
                   -1 :              -0.00014196316096
                   +0 :               0.00006397421346
                   +1 :              -0.00016411967936
                3d
                   -2 :               0.00002290535053
                   -1 :              -0.00001986188648
                   +0 :              -0.00002497879795
                   +1 :               0.00000899631000
                   +2 :              -0.00000555040032
             10 vec=    -0.418832    -15.214743      4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000278803338
                2s
                   +0 :               0.00009616050642
                3s
                   +0 :              -0.00000420460934
                2p
                   -1 :              -0.00006962177790
                   +0 :               0.00005295864035
                   +1 :               0.00007788230322
                3p
                   -1 :              -0.00003831913342
                   +0 :              -0.00005708699766
                   +1 :              -0.00005420836890
                3d
                   -2 :               0.00000171563576
                   -1 :               0.00000129134949
                   +0 :              -0.00000019476021
                   +1 :               0.00000067703064
                   +2 :              -0.00000462821598
             11 vec=    15.141493      2.752773      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00003556344745
                2s
                   +0 :               0.00016309670967
                3s
                   +0 :              -0.00009317981914
                2p
                   -1 :              -0.00001409969909
                   +0 :               0.00015223251973
                   +1 :              -0.00012356715304
                3p
                   -1 :              -0.00001530260544
                   +0 :              -0.00010930081555
                   +1 :               0.00007463764446
                3d
                   -2 :               0.00000239769003
                   -1 :              -0.00000442467448
                   +0 :              -0.00000255084890
                   +1 :              -0.00002074341494
                   +2 :              -0.00000387858018
             12 vec=   -15.979157      2.752773      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00001219828488
                2s
                   +0 :              -0.00002453658354
                3s
                   +0 :               0.00006557611013
                2p
                   -1 :               0.00010567819023
                   +0 :              -0.00004537737510
                   +1 :              -0.00000913056918
                3p
                   -1 :              -0.00001065258090
                   +0 :               0.00001478175954
                   +1 :              -0.00001538399628
                3d
                   -2 :               0.00000106829850
                   -1 :               0.00000404560587
                   +0 :              -0.00000428657075
                   +1 :              -0.00000047657205
                   +2 :               0.00000043201340
             13 vec=    15.141493     -6.230985      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00000028900543
                2s
                   +0 :              -0.00005948811542
                3s
                   +0 :              -0.00000576662547
                2p
                   -1 :               0.00001901264349
                   +0 :              -0.00003086484117
                   +1 :              -0.00004009675056
                3p
                   -1 :              -0.00005192095176
                   +0 :               0.00004140377694
                   +1 :               0.00002367355397
                3d
                   -2 :              -0.00000924300358
                   -1 :              -0.00000119964829
                   +0 :               0.00000157942693
                   +1 :               0.00000636832931
                   +2 :               0.00000237038667
             14 vec=   -15.979157     -6.230985      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00002462944775
                2s
                   +0 :               0.00024643356273
                3s
                   +0 :              -0.00003834562165
                2p
                   -1 :              -0.00008060275851
                   +0 :              -0.00000095067664
                   +1 :              -0.00003610896740
                3p
                   -1 :               0.00002595118453
                   +0 :              -0.00000663704073
                   +1 :              -0.00000822896404
                3d
                   -2 :               0.00000007633854
                   -1 :              -0.00000265912662
                   +0 :              -0.00000059016512
                   +1 :               0.00000361781222
                   +2 :              -0.00000756401434
WF             site_B          number of pairs
WF( 10)=[O_2_2pz]  to site O ( 30)  npairs=  14
              1 vec=    -2.802933     -1.376611      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00338445946262
                2s
                   +0 :               0.06230440190328
                3s
                   +0 :              -0.00471331948863
                2p
                   -1 :              -0.01047823490052
                   +0 :               0.03114679208050
                   +1 :              -0.02771094502281
                3p
                   -1 :              -0.00089471449683
                   +0 :              -0.00022551886058
                   +1 :               0.00251186299357
                3d
                   -2 :               0.00087830163370
                   -1 :              -0.00093702738102
                   +0 :               0.00131813065714
                   +1 :              -0.00350465710531
                   +2 :               0.00135507664291
              2 vec=     4.977229      3.115268      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00187329362701
                2s
                   +0 :               0.01219236217082
                3s
                   +0 :              -0.00685584387786
                2p
                   -1 :               0.00792011032113
                   +0 :               0.00554062060820
                   +1 :               0.01172698976988
                3p
                   -1 :              -0.00551517902645
                   +0 :              -0.00473941973594
                   +1 :              -0.00866790455925
                3d
                   -2 :              -0.00059164007809
                   -1 :              -0.00024248346725
                   +0 :               0.00038210534816
                   +1 :              -0.00045384497957
                   +2 :              -0.00030170548321
              3 vec=     4.977229     -5.868490      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00002361861899
                2s
                   +0 :               0.00033898092553
                3s
                   +0 :               0.00020367325228
                2p
                   -1 :              -0.00566406403715
                   +0 :              -0.00325010852515
                   +1 :               0.00168824302095
                3p
                   -1 :               0.00237271818631
                   +0 :               0.00049731514401
                   +1 :              -0.00054474825023
                3d
                   -2 :              -0.00006515364234
                   -1 :               0.00017783075106
                   +0 :              -0.00012699637490
                   +1 :              -0.00011772127934
                   +2 :              -0.00007945297813
              4 vec=    -2.802933      7.607147      4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00009549575207
                2s
                   +0 :               0.00063011376787
                3s
                   +0 :              -0.00006209885491
                2p
                   -1 :               0.00112695813561
                   +0 :              -0.00213583729739
                   +1 :              -0.00200187460144
                3p
                   -1 :               0.00103024151124
                   +0 :               0.00038490879883
                   +1 :               0.00039396615885
                3d
                   -2 :              -0.00015663829468
                   -1 :              -0.00005896921951
                   +0 :              -0.00016346149764
                   +1 :               0.00004068271343
                   +2 :              -0.00020788016687
              5 vec=    -2.802933    -10.360369      4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00008945799839
                2s
                   +0 :               0.00104741500402
                3s
                   +0 :              -0.00025556374929
                2p
                   -1 :              -0.00059235104014
                   +0 :              -0.00005102302066
                   +1 :              -0.00059129223189
                3p
                   -1 :               0.00020905907747
                   +0 :               0.00002317833263
                   +1 :               0.00058052551585
                3d
                   -2 :              -0.00006063345734
                   -1 :               0.00002467162771
                   +0 :               0.00002552563560
                   +1 :               0.00001531922963
                   +2 :               0.00002990959414
              6 vec=   -10.583096      3.115268      4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00011887363723
                2s
                   +0 :               0.00086525495887
                3s
                   +0 :              -0.00034729792497
                2p
                   -1 :               0.00078786960610
                   +0 :              -0.00033860997093
                   +1 :              -0.00060311550162
                3p
                   -1 :              -0.00055962926404
                   +0 :               0.00020499492574
                   +1 :               0.00058405452136
                3d
                   -2 :               0.00002516581573
                   -1 :               0.00000620057298
                   +0 :               0.00002520202618
                   +1 :               0.00000484521428
                   +2 :              -0.00006659872962
              7 vec=   -10.583096     -5.868490      4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00005072990550
                2s
                   +0 :               0.00066165936234
                3s
                   +0 :              -0.00007146888879
                2p
                   -1 :              -0.00026185807525
                   +0 :               0.00039434661498
                   +1 :               0.00002109144553
                3p
                   -1 :               0.00005812524713
                   +0 :              -0.00012990849600
                   +1 :              -0.00012470915118
                3d
                   -2 :              -0.00003781260455
                   -1 :               0.00002721997581
                   +0 :               0.00001038741888
                   +1 :              -0.00000033060386
                   +2 :               0.00000434239955
              8 vec=    12.757392     -1.376611      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00001816079777
                2s
                   +0 :               0.00003063016720
                3s
                   +0 :               0.00008751048120
                2p
                   -1 :              -0.00000790779380
                   +0 :               0.00012411378884
                   +1 :               0.00012134116674
                3p
                   -1 :              -0.00001744293794
                   +0 :              -0.00004458548118
                   +1 :               0.00014182662800
                3d
                   -2 :              -0.00000431789553
                   -1 :              -0.00000536677978
                   +0 :              -0.00003529432008
                   +1 :               0.00000002665004
                   +2 :               0.00003054685785
              9 vec=     4.977229     12.099026      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00005445098127
                2s
                   +0 :              -0.00036010267388
                3s
                   +0 :               0.00011395389376
                2p
                   -1 :               0.00023689686827
                   +0 :              -0.00009147747979
                   +1 :              -0.00028504645938
                3p
                   -1 :              -0.00018622392296
                   +0 :               0.00009140957789
                   +1 :               0.00019723502579
                3d
                   -2 :              -0.00001855670509
                   -1 :               0.00000611682756
                   +0 :              -0.00001920910594
                   +1 :               0.00002048688595
                   +2 :              -0.00001175138362
             10 vec=    12.757392      7.607147      4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00006083563745
                2s
                   +0 :               0.00047529029821
                3s
                   +0 :              -0.00014468229040
                2p
                   -1 :               0.00013661944709
                   +0 :               0.00037462083493
                   +1 :               0.00023970975134
                3p
                   -1 :              -0.00005682223628
                   +0 :              -0.00016512538581
                   +1 :              -0.00015832914325
                3d
                   -2 :               0.00001496399535
                   -1 :              -0.00001060539058
                   +0 :              -0.00001204812531
                   +1 :              -0.00000183189394
                   +2 :               0.00000043613726
             11 vec=     4.977229    -14.852248      4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000990507354
                2s
                   +0 :               0.00004334460528
                3s
                   +0 :              -0.00000917096018
                2p
                   -1 :              -0.00000729027145
                   +0 :              -0.00005678700980
                   +1 :               0.00000409408288
                3p
                   -1 :              -0.00004828265622
                   +0 :               0.00002182152752
                   +1 :              -0.00001143761272
                3d
                   -2 :               0.00000629711542
                   -1 :              -0.00000887995025
                   +0 :              -0.00001322519568
                   +1 :              -0.00000226155574
                   +2 :              -0.00000449246838
             12 vec=   -10.583096     12.099026      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00003154114204
                2s
                   +0 :              -0.00024325898814
                3s
                   +0 :               0.00007902098738
                2p
                   -1 :              -0.00010816234880
                   +0 :               0.00001562472892
                   +1 :               0.00003880611310
                3p
                   -1 :               0.00007324145138
                   +0 :              -0.00005985654215
                   +1 :              -0.00002056178481
                3d
                   -2 :              -0.00000080082958
                   -1 :               0.00000183909387
                   +0 :              -0.00000431751353
                   +1 :               0.00000565374382
                   +2 :               0.00000009355838
             13 vec=    12.757392    -10.360369      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00002182693989
                2s
                   +0 :              -0.00026552306105
                3s
                   +0 :               0.00004065068815
                2p
                   -1 :               0.00008913032898
                   +0 :              -0.00016672156217
                   +1 :              -0.00010395547423
                3p
                   -1 :              -0.00000830213910
                   +0 :               0.00009353019806
                   +1 :               0.00006296075553
                3d
                   -2 :              -0.00000268751106
                   -1 :               0.00000353581140
                   +0 :               0.00000338620336
                   +1 :               0.00000212639998
                   +2 :               0.00000001516343
             14 vec=    -2.802933     16.590905      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00003099678786
                2s
                   +0 :              -0.00031881956545
                3s
                   +0 :               0.00005414241858
                2p
                   -1 :              -0.00006991272368
                   +0 :              -0.00000913737471
                   +1 :               0.00007804752939
                3p
                   -1 :              -0.00000389160252
                   +0 :              -0.00005536376525
                   +1 :              -0.00001087200864
                3d
                   -2 :               0.00000294367056
                   -1 :              -0.00000359514934
                   +0 :              -0.00000220684645
                   +1 :               0.00000133442165
                   +2 :               0.00000321754543
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al(  1)  npairs=  14
              1 vec=     2.383842      1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.02214998697110
                2p
                   -1 :               0.01411648631275
                   +0 :               0.01981442577740
                   +1 :               0.01786085529263
                3s
                   +0 :               0.06438312758642
                4s
                   +0 :               0.00948270026375
                3p
                   -1 :               0.01329990077519
                   +0 :               0.05219366232727
                   +1 :               0.01705421432859
                4p
                   -1 :               0.00973104861443
                   +0 :               0.00865558811391
                   +1 :               0.00950594758429
                3d
                   -2 :               0.01724313547955
                   -1 :               0.02755008647336
                   +0 :               0.01749133428595
                   +1 :               0.02980528099647
                   +2 :              -0.00021879940068
              2 vec=    -5.396321     -3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00396403532216
                2p
                   -1 :              -0.00252204610344
                   +0 :               0.00141345920724
                   +1 :              -0.00189001585958
                3s
                   +0 :              -0.01229955380828
                4s
                   +0 :               0.00901945851225
                3p
                   -1 :               0.01006958669169
                   +0 :              -0.00351054704123
                   +1 :               0.00341427926953
                4p
                   -1 :              -0.00407855621039
                   +0 :               0.00258174864467
                   +1 :              -0.00336262700975
                3d
                   -2 :              -0.00033698318295
                   -1 :               0.00157149949329
                   +0 :              -0.00093661057611
                   +1 :               0.00072470269491
                   +2 :              -0.00012691979365
              3 vec=    -5.396321      5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00040087625199
                2p
                   -1 :              -0.00031508723290
                   +0 :               0.00013476232094
                   +1 :              -0.00077851524890
                3s
                   +0 :              -0.00170882646780
                4s
                   +0 :              -0.00243764748595
                3p
                   -1 :               0.00666214853584
                   +0 :              -0.00306615530532
                   +1 :               0.00445852669002
                4p
                   -1 :              -0.00312526949819
                   +0 :              -0.00037699641526
                   +1 :               0.00000614339826
                3d
                   -2 :              -0.00112138669090
                   -1 :               0.00114402657694
                   +0 :              -0.00111381586936
                   +1 :               0.00100727270680
                   +2 :              -0.00152746961291
              4 vec=     2.383842     -7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00017734531025
                2p
                   -1 :              -0.00010611348930
                   +0 :               0.00016427570600
                   +1 :              -0.00036759520372
                3s
                   +0 :               0.00308495215107
                4s
                   +0 :              -0.00015514755126
                3p
                   -1 :              -0.00019917293512
                   +0 :               0.00145272485113
                   +1 :               0.00056268479403
                4p
                   -1 :              -0.00025796486127
                   +0 :               0.00017844840919
                   +1 :              -0.00019249944216
                3d
                   -2 :              -0.00019185182373
                   -1 :              -0.00065327710741
                   +0 :               0.00083911152064
                   +1 :              -0.00030971897871
                   +2 :               0.00028581028565
              5 vec=     2.383842     10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00027903180363
                2p
                   -1 :              -0.00010062217721
                   +0 :               0.00010214574926
                   +1 :               0.00010430806965
                3s
                   +0 :               0.00104505986665
                4s
                   +0 :              -0.00070153548302
                3p
                   -1 :               0.00041981501216
                   +0 :              -0.00092109838401
                   +1 :              -0.00076775718954
                4p
                   -1 :              -0.00026424717338
                   +0 :               0.00009329920447
                   +1 :               0.00025307795275
                3d
                   -2 :              -0.00011495761413
                   -1 :               0.00002369237740
                   +0 :              -0.00001346688514
                   +1 :              -0.00000663041427
                   +2 :              -0.00014632203915
              6 vec=    10.164004     -3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00042848935129
                2p
                   -1 :               0.00011003073942
                   +0 :              -0.00005132961943
                   +1 :               0.00024171678780
                3s
                   +0 :               0.00003940066809
                4s
                   +0 :              -0.00048731649952
                3p
                   -1 :              -0.00099403476279
                   +0 :              -0.00027833969549
                   +1 :               0.00007183864073
                4p
                   -1 :               0.00028323091421
                   +0 :              -0.00011186407700
                   +1 :              -0.00032746515738
                3d
                   -2 :              -0.00023806795507
                   -1 :              -0.00038519196923
                   +0 :               0.00013488434233
                   +1 :               0.00003006285365
                   +2 :               0.00015074012764
              7 vec=    10.164004      5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00067349683681
                2p
                   -1 :               0.00015891858613
                   +0 :               0.00024663385361
                   +1 :               0.00012553576494
                3s
                   +0 :              -0.00247277591385
                4s
                   +0 :               0.00080801166209
                3p
                   -1 :              -0.00074463241423
                   +0 :              -0.00097841681035
                   +1 :              -0.00050208864829
                4p
                   -1 :               0.00009913848589
                   +0 :               0.00029213420937
                   +1 :               0.00020208436302
                3d
                   -2 :              -0.00018771317574
                   -1 :              -0.00002449638655
                   +0 :               0.00003261435096
                   +1 :               0.00011167500729
                   +2 :               0.00039215583197
              8 vec=   -13.176483      1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00010126294917
                2p
                   -1 :              -0.00041399354775
                   +0 :              -0.00029122052011
                   +1 :               0.00005439845428
                3s
                   +0 :              -0.00097040280120
                4s
                   +0 :              -0.00011241660448
                3p
                   -1 :               0.00155324622625
                   +0 :               0.00012024693957
                   +1 :               0.00029225182241
                4p
                   -1 :              -0.00055746664986
                   +0 :              -0.00013858140031
                   +1 :               0.00003216757157
                3d
                   -2 :              -0.00032496416317
                   -1 :              -0.00020966676946
                   +0 :              -0.00021822784984
                   +1 :               0.00008115970993
                   +2 :              -0.00022758994196
              9 vec=    -5.396321    -12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00005759366226
                2p
                   -1 :               0.00004221053798
                   +0 :              -0.00006710305379
                   +1 :               0.00005857143961
                3s
                   +0 :              -0.00070958604939
                4s
                   +0 :               0.00002421539982
                3p
                   -1 :               0.00027075365300
                   +0 :              -0.00022703767093
                   +1 :              -0.00054303166907
                4p
                   -1 :              -0.00004123170164
                   +0 :              -0.00011941745505
                   +1 :               0.00014140481934
                3d
                   -2 :               0.00013252368317
                   -1 :               0.00013701025450
                   +0 :              -0.00014941988863
                   +1 :              -0.00012236736657
                   +2 :               0.00006669928366
             10 vec=   -13.176483     -7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00004011131626
                2p
                   -1 :               0.00002370991574
                   +0 :              -0.00000989151107
                   +1 :              -0.00000320875707
                3s
                   +0 :              -0.00017467710439
                4s
                   +0 :               0.00005481381284
                3p
                   -1 :              -0.00000475533123
                   +0 :               0.00008653190404
                   +1 :               0.00010211600174
                4p
                   -1 :              -0.00005575925497
                   +0 :              -0.00004892689798
                   +1 :              -0.00004009780453
                3d
                   -2 :              -0.00002160391739
                   -1 :              -0.00004487264756
                   +0 :              -0.00004041277295
                   +1 :               0.00000764917726
                   +2 :               0.00000436188447
             11 vec=    -5.396321     14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00000868311038
                2p
                   -1 :               0.00001827231142
                   +0 :              -0.00000570462068
                   +1 :              -0.00003394693442
                3s
                   +0 :               0.00035351580063
                4s
                   +0 :              -0.00001865825196
                3p
                   -1 :               0.00000821197991
                   +0 :               0.00019283606759
                   +1 :               0.00005969556328
                4p
                   -1 :               0.00000548082223
                   +0 :              -0.00002984997405
                   +1 :              -0.00003331910949
                3d
                   -2 :               0.00005983529899
                   -1 :              -0.00001124272204
                   +0 :               0.00000220268427
                   +1 :              -0.00015390430079
                   +2 :               0.00003223911928
             12 vec=    10.164004    -12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00004156270046
                2p
                   -1 :              -0.00004370447731
                   +0 :               0.00005245899591
                   +1 :              -0.00000040389819
                3s
                   +0 :               0.00011723509131
                4s
                   +0 :               0.00006060867463
                3p
                   -1 :               0.00016779064196
                   +0 :              -0.00022748410901
                   +1 :              -0.00000716410035
                4p
                   -1 :              -0.00006469230893
                   +0 :               0.00008553137035
                   +1 :               0.00000502027130
                3d
                   -2 :               0.00003417749805
                   -1 :              -0.00000192155465
                   +0 :               0.00003318701906
                   +1 :              -0.00006397437682
                   +2 :              -0.00000708609156
             13 vec=   -13.176483     10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00007632116685
                2p
                   -1 :               0.00000324185902
                   +0 :              -0.00005837692551
                   +1 :               0.00003348232198
                3s
                   +0 :               0.00023189385986
                4s
                   +0 :              -0.00004112495729
                3p
                   -1 :              -0.00007175416371
                   +0 :               0.00027968319380
                   +1 :              -0.00014438237102
                4p
                   -1 :               0.00002441199007
                   +0 :              -0.00005437203741
                   +1 :               0.00000429477721
                3d
                   -2 :              -0.00000638797278
                   -1 :               0.00001391210733
                   +0 :               0.00003052126185
                   +1 :              -0.00001715085739
                   +2 :              -0.00000701345273
             14 vec=     2.383842    -16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00002571475926
                2p
                   -1 :               0.00001285803574
                   +0 :              -0.00000566549669
                   +1 :               0.00000086146801
                3s
                   +0 :               0.00010821654050
                4s
                   +0 :              -0.00004540570864
                3p
                   -1 :              -0.00007818268498
                   +0 :               0.00002983210061
                   +1 :              -0.00003589536161
                4p
                   -1 :               0.00002291180803
                   +0 :              -0.00001065954256
                   +1 :               0.00001055507075
                3d
                   -2 :              -0.00000149838839
                   -1 :              -0.00000872161861
                   +0 :               0.00001129257646
                   +1 :               0.00001621572383
                   +2 :              -0.00000491539607
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al(  2)  npairs=  13
              1 vec=     2.383842      1.376312      9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00024969622265
                2p
                   -1 :              -0.00029146366870
                   +0 :              -0.00014831776916
                   +1 :              -0.00008386119710
                3s
                   +0 :              -0.00017492218494
                4s
                   +0 :               0.00011740020275
                3p
                   -1 :               0.00089997071570
                   +0 :               0.00010607544091
                   +1 :              -0.00078357698110
                4p
                   -1 :              -0.00042672730185
                   +0 :               0.00004117243315
                   +1 :               0.00010215247048
                3d
                   -2 :               0.00045366817544
                   -1 :              -0.00010260603048
                   +0 :              -0.00004822045654
                   +1 :              -0.00023034455332
                   +2 :              -0.00009689210992
              2 vec=    -5.396321     -3.115567      9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00052446896476
                2p
                   -1 :              -0.00036299217124
                   +0 :               0.00022376638069
                   +1 :              -0.00004833695671
                3s
                   +0 :              -0.00237003096273
                4s
                   +0 :               0.00098330798442
                3p
                   -1 :               0.00155132305012
                   +0 :              -0.00190495877206
                   +1 :               0.00058677736042
                4p
                   -1 :              -0.00023461931359
                   +0 :               0.00071206209133
                   +1 :              -0.00026894774379
                3d
                   -2 :              -0.00015514161412
                   -1 :               0.00042975301586
                   +0 :              -0.00039793839512
                   +1 :               0.00005652418333
                   +2 :               0.00028562518192
              3 vec=    -5.396321      5.868191      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00001834326209
                2p
                   -1 :              -0.00012928614310
                   +0 :              -0.00010113478353
                   +1 :               0.00021246059515
                3s
                   +0 :              -0.00001664439765
                4s
                   +0 :              -0.00021823050735
                3p
                   -1 :               0.00079587416239
                   +0 :               0.00067508587208
                   +1 :              -0.00084875116248
                4p
                   -1 :              -0.00036033139110
                   +0 :              -0.00036653134632
                   +1 :               0.00011626790205
                3d
                   -2 :               0.00003509977294
                   -1 :               0.00019271595424
                   +0 :              -0.00000381475363
                   +1 :              -0.00008885575925
                   +2 :              -0.00015373331261
              4 vec=     2.383842     -7.607446      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00000616466144
                2p
                   -1 :              -0.00009846221408
                   +0 :              -0.00001404562687
                   +1 :              -0.00005021601001
                3s
                   +0 :               0.00162371789007
                4s
                   +0 :              -0.00003344904296
                3p
                   -1 :              -0.00114698577524
                   +0 :               0.00052328706843
                   +1 :               0.00052475253550
                4p
                   -1 :              -0.00001457014830
                   +0 :              -0.00005665372161
                   +1 :              -0.00013321610075
                3d
                   -2 :              -0.00006817433705
                   -1 :              -0.00034113188687
                   +0 :              -0.00018110933097
                   +1 :               0.00008110270163
                   +2 :              -0.00050805197408
              5 vec=     2.383842     10.360070      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00016474286993
                2p
                   -1 :               0.00003237047611
                   +0 :              -0.00004786187663
                   +1 :               0.00009315381731
                3s
                   +0 :               0.00050467692476
                4s
                   +0 :              -0.00015427052406
                3p
                   -1 :              -0.00033452732320
                   +0 :               0.00029181622543
                   +1 :              -0.00047976882314
                4p
                   -1 :               0.00012212214326
                   +0 :              -0.00005661425052
                   +1 :               0.00003431600676
                3d
                   -2 :              -0.00016314950828
                   -1 :              -0.00007492403291
                   +0 :               0.00009056695536
                   +1 :              -0.00015778845656
                   +2 :               0.00015944473628
              6 vec=    10.164004     -3.115567      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00009635711896
                2p
                   -1 :               0.00008858076431
                   +0 :              -0.00004239136772
                   +1 :              -0.00008421608837
                3s
                   +0 :               0.00065986575955
                4s
                   +0 :              -0.00029687874094
                3p
                   -1 :              -0.00047414386318
                   +0 :               0.00045401675565
                   +1 :               0.00046386190618
                4p
                   -1 :               0.00015577928806
                   +0 :              -0.00015740046161
                   +1 :              -0.00016766513386
                3d
                   -2 :              -0.00010206555260
                   -1 :              -0.00012348956549
                   +0 :               0.00010206702199
                   +1 :               0.00004350306024
                   +2 :               0.00000085734055
              7 vec=     2.383842      1.376312    -14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00008481762154
                2p
                   -1 :              -0.00003538157189
                   +0 :               0.00001961650851
                   +1 :               0.00000193515352
                3s
                   +0 :               0.00043515031670
                4s
                   +0 :              -0.00008453587485
                3p
                   -1 :               0.00028207404457
                   +0 :              -0.00020681801652
                   +1 :               0.00026289580410
                4p
                   -1 :              -0.00003371552913
                   +0 :               0.00005096214274
                   +1 :               0.00000472652316
                3d
                   -2 :              -0.00000182819707
                   -1 :              -0.00004179911056
                   +0 :              -0.00004478186606
                   +1 :              -0.00012398309914
                   +2 :              -0.00007382769419
              8 vec=    10.164004      5.868191      9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00030524290227
                2p
                   -1 :               0.00017675734442
                   +0 :               0.00016344869361
                   +1 :               0.00012312581615
                3s
                   +0 :              -0.00078567388905
                4s
                   +0 :               0.00025545376960
                3p
                   -1 :              -0.00091684161294
                   +0 :              -0.00072578876342
                   +1 :              -0.00044238516802
                4p
                   -1 :               0.00027848738755
                   +0 :               0.00014686167056
                   +1 :               0.00007983144859
                3d
                   -2 :              -0.00017901903427
                   -1 :              -0.00017217650073
                   +0 :              -0.00002292092842
                   +1 :              -0.00025705694826
                   +2 :              -0.00004684762370
              9 vec=    -5.396321     -3.115567    -14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00003939259129
                2p
                   -1 :              -0.00000034946166
                   +0 :              -0.00000904171948
                   +1 :               0.00000742688273
                3s
                   +0 :              -0.00004053266639
                4s
                   +0 :              -0.00000210539681
                3p
                   -1 :              -0.00003377604232
                   +0 :               0.00006153238430
                   +1 :              -0.00010510027158
                4p
                   -1 :              -0.00001124117312
                   +0 :               0.00001003579412
                   +1 :               0.00002044727929
                3d
                   -2 :              -0.00003682238657
                   -1 :               0.00001058928059
                   +0 :               0.00007138989865
                   +1 :               0.00003780823547
                   +2 :               0.00001810163035
             10 vec=   -13.176483      1.376312      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00011114569526
                2p
                   -1 :              -0.00005970366753
                   +0 :              -0.00000751446244
                   +1 :               0.00011305199156
                3s
                   +0 :               0.00007180465937
                4s
                   +0 :              -0.00007023372530
                3p
                   -1 :               0.00017486444272
                   +0 :              -0.00011020433177
                   +1 :              -0.00040718946281
                4p
                   -1 :              -0.00002355308949
                   +0 :               0.00002844542876
                   +1 :               0.00009182025075
                3d
                   -2 :              -0.00002486642402
                   -1 :               0.00002471559963
                   +0 :              -0.00004134472858
                   +1 :              -0.00000840071586
                   +2 :               0.00006335696942
             11 vec=    -5.396321    -12.099325      9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00002997387768
                2p
                   -1 :              -0.00001922238726
                   +0 :               0.00001622619417
                   +1 :              -0.00000392177831
                3s
                   +0 :              -0.00029653336442
                4s
                   +0 :               0.00004022397408
                3p
                   -1 :               0.00021184176502
                   +0 :              -0.00015478610971
                   +1 :              -0.00007428141720
                4p
                   -1 :              -0.00003561872152
                   +0 :               0.00001644543739
                   +1 :               0.00002605534352
                3d
                   -2 :               0.00001542248832
                   -1 :               0.00004300492499
                   +0 :              -0.00001771895590
                   +1 :              -0.00000722527551
                   +2 :               0.00003922720621
             12 vec=    -5.396321      5.868191    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00003405036850
                2p
                   -1 :               0.00001193865662
                   +0 :              -0.00001528136076
                   +1 :               0.00001985182691
                3s
                   +0 :               0.00003458894390
                4s
                   +0 :              -0.00002316611156
                3p
                   -1 :              -0.00011531474351
                   +0 :               0.00013944380006
                   +1 :              -0.00010781855149
                4p
                   -1 :               0.00002506083178
                   +0 :              -0.00000728609773
                   +1 :               0.00002061672549
                3d
                   -2 :               0.00005641124408
                   -1 :               0.00004173170913
                   +0 :              -0.00003697741527
                   +1 :              -0.00001601542435
                   +2 :               0.00004069104118
             13 vec=     2.383842     -7.607446    -14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00003895951643
                2p
                   -1 :               0.00002935403091
                   +0 :               0.00000761205338
                   +1 :              -0.00000160139592
                3s
                   +0 :               0.00019788973457
                4s
                   +0 :              -0.00004704229474
                3p
                   -1 :              -0.00013527682512
                   +0 :               0.00009853792399
                   +1 :              -0.00019097610987
                4p
                   -1 :               0.00003231047752
                   +0 :               0.00000009495008
                   +1 :              -0.00000057823228
                3d
                   -2 :               0.00006231544264
                   -1 :              -0.00001690791372
                   +0 :              -0.00008314960791
                   +1 :               0.00004435314234
                   +2 :               0.00005188806684
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Cr(  3)  npairs=  14
              1 vec=     2.383842      1.376312     -2.510723   |vec|=    3.725676
                3s
                   +0 :              -0.03597251145327
                3p
                   -1 :              -0.02671424735550
                   +0 :               0.04872471735767
                   +1 :              -0.03483323030193
                4s
                   +0 :              -0.02606247411211
                5s
                   +0 :              -0.00356753394782
                3d
                   -2 :              -0.01725928869764
                   -1 :               0.03283920581912
                   +0 :              -0.02977965995876
                   +1 :               0.03371118372544
                   +2 :               0.00245857388937
                4d
                   -2 :              -0.00076750389502
                   -1 :               0.00252983725088
                   +0 :              -0.00358709489645
                   +1 :              -0.00051957357019
                   +2 :               0.00517283263558
                4p
                   -1 :              -0.01156811864651
                   +0 :               0.02402834146563
                   +1 :              -0.00063981708877
              2 vec=    -5.396321     -3.115567     -2.510723   |vec|=    6.717944
                3s
                   +0 :              -0.00042426005631
                3p
                   -1 :               0.00105563758798
                   +0 :               0.00092021402841
                   +1 :               0.00158145591671
                4s
                   +0 :              -0.00503749291888
                5s
                   +0 :              -0.00014538175358
                3d
                   -2 :              -0.00024730864235
                   -1 :               0.00211378840402
                   +0 :              -0.00000647713510
                   +1 :               0.00012910778349
                   +2 :              -0.00007274478600
                4d
                   -2 :               0.00046500348174
                   -1 :               0.00078997320225
                   +0 :              -0.00114760121950
                   +1 :               0.00065177128491
                   +2 :               0.00112484640561
                4p
                   -1 :               0.00162846641844
                   +0 :               0.00135827184099
                   +1 :               0.00185609577638
              3 vec=    -5.396321      5.868191     -2.510723   |vec|=    8.358210
                3s
                   +0 :               0.00258315489444
                3p
                   -1 :               0.00117707923571
                   +0 :               0.00008350938217
                   +1 :               0.00037061307418
                4s
                   +0 :              -0.00437483198593
                5s
                   +0 :               0.00050491553094
                3d
                   -2 :              -0.00091311840572
                   -1 :               0.00060743218983
                   +0 :               0.00131229575850
                   +1 :               0.00358117821753
                   +2 :               0.00136954190433
                4d
                   -2 :               0.00186096040349
                   -1 :               0.00028854398827
                   +0 :               0.00145204258420
                   +1 :              -0.00043585382268
                   +2 :               0.00094799024466
                4p
                   -1 :              -0.00368576261568
                   +0 :              -0.00179722238881
                   +1 :              -0.00028742112711
              4 vec=     2.383842     -7.607446     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00054456350126
                3p
                   -1 :               0.00050612056822
                   +0 :               0.00009011335127
                   +1 :              -0.00038431568156
                4s
                   +0 :              -0.00171579729655
                5s
                   +0 :               0.00056076007244
                3d
                   -2 :               0.00033878711711
                   -1 :              -0.00064119288252
                   +0 :              -0.00185553086552
                   +1 :              -0.00042072793632
                   +2 :              -0.00041547389925
                4d
                   -2 :              -0.00080342673507
                   -1 :              -0.00074267136573
                   +0 :               0.00027233582165
                   +1 :               0.00048313562648
                   +2 :               0.00035795702418
                4p
                   -1 :              -0.00045230070101
                   +0 :               0.00115861598925
                   +1 :               0.00082388675283
              5 vec=     2.383842     10.360070     -2.510723   |vec|=   10.923254
                3s
                   +0 :              -0.00022019998287
                3p
                   -1 :               0.00008473641639
                   +0 :               0.00002885558283
                   +1 :              -0.00002411554725
                4s
                   +0 :               0.00061940045880
                5s
                   +0 :               0.00002254386208
                3d
                   -2 :              -0.00006755900547
                   -1 :              -0.00001563390523
                   +0 :              -0.00000117715102
                   +1 :              -0.00048128587980
                   +2 :              -0.00006005251594
                4d
                   -2 :               0.00021879730246
                   -1 :               0.00020670906742
                   +0 :               0.00028570134633
                   +1 :              -0.00012953133435
                   +2 :               0.00007449046134
                4p
                   -1 :               0.00003632657462
                   +0 :              -0.00008281268377
                   +1 :               0.00018669676261
              6 vec=    10.164004     -3.115567     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00029673650157
                3p
                   -1 :               0.00025818636644
                   +0 :              -0.00009243916318
                   +1 :               0.00030385149417
                4s
                   +0 :              -0.00095909553872
                5s
                   +0 :               0.00002966949583
                3d
                   -2 :              -0.00005851072303
                   -1 :              -0.00015522745551
                   +0 :              -0.00047956530660
                   +1 :              -0.00017618215870
                   +2 :               0.00035673204092
                4d
                   -2 :               0.00010484077151
                   -1 :              -0.00020097367405
                   +0 :               0.00034727486796
                   +1 :               0.00011130881394
                   +2 :              -0.00030219027637
                4p
                   -1 :              -0.00013498960862
                   +0 :               0.00002156402773
                   +1 :              -0.00073218474821
              7 vec=    10.164004      5.868191     -2.510723   |vec|=   12.001932
                3s
                   +0 :              -0.00054360121597
                3p
                   -1 :               0.00002527128716
                   +0 :               0.00060881904141
                   +1 :              -0.00032917138370
                4s
                   +0 :               0.00141131566491
                5s
                   +0 :              -0.00015778480783
                3d
                   -2 :               0.00020273750333
                   -1 :               0.00021558464827
                   +0 :              -0.00056171345930
                   +1 :               0.00049089849413
                   +2 :              -0.00020060685503
                4d
                   -2 :               0.00020999047936
                   -1 :              -0.00020451329754
                   +0 :              -0.00007333045235
                   +1 :               0.00004655116820
                   +2 :               0.00052370536822
                4p
                   -1 :               0.00027219513044
                   +0 :              -0.00017696332853
                   +1 :               0.00067902038896
              8 vec=   -13.176483      1.376312     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00017125994281
                3p
                   -1 :              -0.00004404637268
                   +0 :              -0.00009846977311
                   +1 :              -0.00020432366622
                4s
                   +0 :               0.00048011801929
                5s
                   +0 :              -0.00002821571125
                3d
                   -2 :              -0.00003489439660
                   -1 :              -0.00103769511864
                   +0 :               0.00078528443420
                   +1 :               0.00045314879594
                   +2 :              -0.00018719142780
                4d
                   -2 :              -0.00040496236674
                   -1 :              -0.00007893288154
                   +0 :               0.00013500775368
                   +1 :               0.00027065544745
                   +2 :              -0.00001370186758
                4p
                   -1 :               0.00047986119397
                   +0 :              -0.00061426796545
                   +1 :               0.00020044999980
              9 vec=    -5.396321    -12.099325     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00031756450437
                3p
                   -1 :              -0.00018122639861
                   +0 :              -0.00021049080325
                   +1 :               0.00001703214857
                4s
                   +0 :              -0.00027618752078
                5s
                   +0 :               0.00005746489358
                3d
                   -2 :              -0.00009251251529
                   -1 :               0.00094508546259
                   +0 :               0.00037260317794
                   +1 :              -0.00003552629690
                   +2 :              -0.00035853052981
                4d
                   -2 :              -0.00002753646803
                   -1 :              -0.00004706879003
                   +0 :               0.00018271012130
                   +1 :              -0.00005916677524
                   +2 :              -0.00001097583788
                4p
                   -1 :               0.00014255282070
                   +0 :              -0.00012922384256
                   +1 :               0.00009066020328
             10 vec=   -13.176483     -7.607446     -2.510723   |vec|=   15.420658
                3s
                   +0 :              -0.00004530897764
                3p
                   -1 :               0.00002196941008
                   +0 :               0.00000236597285
                   +1 :               0.00001548974522
                4s
                   +0 :               0.00025215031456
                5s
                   +0 :              -0.00005024294033
                3d
                   -2 :              -0.00002043219587
                   -1 :              -0.00004570125498
                   +0 :               0.00010731888945
                   +1 :              -0.00003278100610
                   +2 :              -0.00001963932391
                4d
                   -2 :              -0.00002130590477
                   -1 :               0.00006632398629
                   +0 :              -0.00001949076178
                   +1 :              -0.00003087299215
                   +2 :               0.00002979633591
                4p
                   -1 :              -0.00003340865169
                   +0 :              -0.00004909480175
                   +1 :              -0.00005462484847
             11 vec=    -5.396321     14.851949     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00004400480965
                3p
                   -1 :              -0.00005760138429
                   +0 :               0.00003048681895
                   +1 :               0.00003915231176
                4s
                   +0 :              -0.00009522709352
                5s
                   +0 :              -0.00000801935322
                3d
                   -2 :               0.00004015379334
                   -1 :               0.00010662638216
                   +0 :               0.00000510329977
                   +1 :              -0.00029473443100
                   +2 :               0.00000538813472
                4d
                   -2 :               0.00000173701192
                   -1 :              -0.00004135392898
                   +0 :              -0.00004711726603
                   +1 :               0.00001759151927
                   +2 :              -0.00003699904869
                4p
                   -1 :               0.00003100974019
                   +0 :              -0.00002766076581
                   +1 :              -0.00006692009312
             12 vec=    10.164004    -12.099325     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00005256303424
                3p
                   -1 :               0.00004632078755
                   +0 :               0.00002324538990
                   +1 :               0.00002235302431
                4s
                   +0 :              -0.00011590479641
                5s
                   +0 :               0.00002372192719
                3d
                   -2 :              -0.00001400076425
                   -1 :              -0.00015857650382
                   +0 :              -0.00012316832824
                   +1 :              -0.00016014153200
                   +2 :               0.00004099720257
                4d
                   -2 :               0.00000489387262
                   -1 :              -0.00001789718972
                   +0 :              -0.00001775265196
                   +1 :              -0.00002221106091
                   +2 :              -0.00001510311040
                4p
                   -1 :              -0.00005788623251
                   +0 :              -0.00000715140482
                   +1 :              -0.00008369888008
             13 vec=   -13.176483     10.360070     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00010958051757
                3p
                   -1 :               0.00005186578938
                   +0 :              -0.00009402053410
                   +1 :              -0.00003303006784
                4s
                   +0 :              -0.00020871781329
                5s
                   +0 :              -0.00000341377302
                3d
                   -2 :              -0.00009239351892
                   -1 :              -0.00004897969190
                   +0 :               0.00010409179299
                   +1 :               0.00022927799441
                   +2 :              -0.00001634340849
                4d
                   -2 :               0.00002388143219
                   -1 :               0.00001197989490
                   +0 :              -0.00000097155346
                   +1 :              -0.00004591776027
                   +2 :               0.00000748824406
                4p
                   -1 :              -0.00005707701953
                   +0 :               0.00010253154422
                   +1 :               0.00010287903671
             14 vec=     2.383842    -16.591204     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00005532320803
                3p
                   -1 :              -0.00002844398985
                   +0 :              -0.00001867531213
                   +1 :               0.00004912773269
                4s
                   +0 :              -0.00008831781369
                5s
                   +0 :              -0.00000758885114
                3d
                   -2 :              -0.00003826547905
                   -1 :               0.00003180421607
                   +0 :              -0.00001250850687
                   +1 :               0.00010569111595
                   +2 :              -0.00003050521259
                4d
                   -2 :               0.00003677572134
                   -1 :              -0.00002010792656
                   +0 :               0.00000397422405
                   +1 :              -0.00001253031731
                   +2 :              -0.00001092204098
                4p
                   -1 :               0.00003118815500
                   +0 :               0.00003338834714
                   +1 :              -0.00007308962350
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al(  4)  npairs=  13
              1 vec=     2.383842      1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00002798387172
                2p
                   -1 :               0.00017422561787
                   +0 :              -0.00005510368660
                   +1 :              -0.00005139590139
                3s
                   +0 :              -0.00066675526351
                4s
                   +0 :               0.00038011912211
                3p
                   -1 :              -0.00172488428832
                   +0 :               0.00193478263931
                   +1 :              -0.00062647153467
                4p
                   -1 :               0.00053141976486
                   +0 :              -0.00071374326002
                   +1 :              -0.00006442919024
                3d
                   -2 :               0.00007927200443
                   -1 :               0.00024729368491
                   +0 :              -0.00077896472007
                   +1 :               0.00041703868878
                   +2 :               0.00035742589554
              2 vec=    -5.396321     -3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00017461656320
                2p
                   -1 :              -0.00000426781357
                   +0 :              -0.00013492922786
                   +1 :               0.00005262327262
                3s
                   +0 :              -0.00061164952487
                4s
                   +0 :               0.00048268325220
                3p
                   -1 :               0.00028040697305
                   +0 :               0.00084365488949
                   +1 :              -0.00040275580763
                4p
                   -1 :              -0.00017004290209
                   +0 :              -0.00025649929911
                   +1 :               0.00021345142124
                3d
                   -2 :               0.00016175808073
                   -1 :              -0.00012170981596
                   +0 :              -0.00029392177724
                   +1 :              -0.00002128069006
                   +2 :              -0.00026797375009
              3 vec=    -5.396321      5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00026392698112
                2p
                   -1 :              -0.00021621680738
                   +0 :              -0.00001335638568
                   +1 :              -0.00001498939896
                3s
                   +0 :               0.00225486936172
                4s
                   +0 :              -0.00007142768752
                3p
                   -1 :               0.00178994730323
                   +0 :              -0.00008959447682
                   +1 :              -0.00053198221117
                4p
                   -1 :              -0.00035140083790
                   +0 :               0.00002245659265
                   +1 :              -0.00017959839422
                3d
                   -2 :              -0.00055988307934
                   -1 :              -0.00014329052001
                   +0 :              -0.00021475822783
                   +1 :               0.00011197469558
                   +2 :               0.00002060962519
              4 vec=     2.383842     -7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00023999142815
                2p
                   -1 :              -0.00000649609847
                   +0 :               0.00002250869347
                   +1 :              -0.00011219820488
                3s
                   +0 :               0.00294051537415
                4s
                   +0 :              -0.00031325154997
                3p
                   -1 :              -0.00172766722915
                   +0 :              -0.00036680871168
                   +1 :               0.00042109172693
                4p
                   -1 :               0.00007352911783
                   +0 :               0.00011012864992
                   +1 :              -0.00021285686007
                3d
                   -2 :               0.00016861698638
                   -1 :              -0.00003269162310
                   +0 :              -0.00037700170246
                   +1 :              -0.00011241892060
                   +2 :              -0.00034097227646
              5 vec=     2.383842     10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00002496758718
                2p
                   -1 :              -0.00005848617706
                   +0 :               0.00001585282932
                   +1 :               0.00007645457146
                3s
                   +0 :              -0.00000135184570
                4s
                   +0 :              -0.00015777116241
                3p
                   -1 :               0.00045253007886
                   +0 :               0.00002509492196
                   +1 :              -0.00042827865080
                4p
                   -1 :              -0.00021885622691
                   +0 :               0.00001659074907
                   +1 :               0.00010950789034
                3d
                   -2 :              -0.00014935923705
                   -1 :               0.00000325588564
                   +0 :               0.00000909370055
                   +1 :               0.00007242621701
                   +2 :              -0.00007333564519
              6 vec=    10.164004     -3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00018540681782
                2p
                   -1 :               0.00000030839149
                   +0 :               0.00002867069754
                   +1 :              -0.00003888769085
                3s
                   +0 :               0.00045873599088
                4s
                   +0 :              -0.00019979500030
                3p
                   -1 :               0.00024467261943
                   +0 :              -0.00009402058474
                   +1 :               0.00028760369587
                4p
                   -1 :              -0.00000225647510
                   +0 :              -0.00000261396937
                   +1 :              -0.00008212179405
                3d
                   -2 :               0.00012479416482
                   -1 :              -0.00009076965053
                   +0 :               0.00002129190081
                   +1 :              -0.00005277860105
                   +2 :              -0.00002594420763
              7 vec=     2.383842      1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00005798211307
                2p
                   -1 :               0.00002231884474
                   +0 :               0.00001887305853
                   +1 :              -0.00003705803914
                3s
                   +0 :              -0.00008354066053
                4s
                   +0 :               0.00003842509034
                3p
                   -1 :              -0.00013407002603
                   +0 :               0.00001780513249
                   +1 :               0.00013705570117
                4p
                   -1 :               0.00000640383719
                   +0 :               0.00000577372284
                   +1 :               0.00000841011513
                3d
                   -2 :               0.00000924507747
                   -1 :               0.00001497164143
                   +0 :               0.00002341477055
                   +1 :               0.00004310297245
                   +2 :               0.00010664754013
              8 vec=    10.164004      5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00035057662353
                2p
                   -1 :              -0.00000973543290
                   +0 :              -0.00004409143230
                   +1 :               0.00018976046753
                3s
                   +0 :              -0.00174599083178
                4s
                   +0 :               0.00028218576576
                3p
                   -1 :               0.00017954337077
                   +0 :              -0.00023256251188
                   +1 :              -0.00091377772568
                4p
                   -1 :              -0.00007042541326
                   +0 :              -0.00003056236244
                   +1 :               0.00016423710164
                3d
                   -2 :               0.00001353907683
                   -1 :              -0.00021787510491
                   +0 :               0.00018323158368
                   +1 :              -0.00013671991679
                   +2 :              -0.00029955921630
              9 vec=    -5.396321     -3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00006614407477
                2p
                   -1 :               0.00002986749007
                   +0 :               0.00002105835100
                   +1 :              -0.00003091954850
                3s
                   +0 :              -0.00045248506035
                4s
                   +0 :               0.00014102870154
                3p
                   -1 :              -0.00021227365260
                   +0 :              -0.00018312675777
                   +1 :              -0.00000709891735
                4p
                   -1 :               0.00003828861037
                   +0 :               0.00004132659290
                   +1 :              -0.00002673927083
                3d
                   -2 :               0.00001463498090
                   -1 :              -0.00002454775325
                   +0 :              -0.00001917215169
                   +1 :              -0.00000739780944
                   +2 :               0.00000986202029
             10 vec=   -13.176483      1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00001870197314
                2p
                   -1 :               0.00000964602637
                   +0 :              -0.00001325404728
                   +1 :              -0.00000058064439
                3s
                   +0 :              -0.00015725057404
                4s
                   +0 :               0.00006014557178
                3p
                   -1 :              -0.00015281760947
                   +0 :               0.00013272042457
                   +1 :               0.00011712174341
                4p
                   -1 :              -0.00000280648616
                   +0 :              -0.00002674302898
                   +1 :              -0.00003930660034
                3d
                   -2 :               0.00008803817034
                   -1 :               0.00005139580547
                   +0 :               0.00003954191418
                   +1 :              -0.00001337570132
                   +2 :               0.00003080851565
             11 vec=    -5.396321    -12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00009075855085
                2p
                   -1 :               0.00004938612777
                   +0 :              -0.00001311197189
                   +1 :              -0.00000805729842
                3s
                   +0 :               0.00021506852149
                4s
                   +0 :              -0.00005251744003
                3p
                   -1 :              -0.00015046701543
                   +0 :               0.00015269567686
                   +1 :               0.00005384014140
                4p
                   -1 :               0.00001965684831
                   +0 :              -0.00003969192060
                   +1 :              -0.00003584055539
                3d
                   -2 :              -0.00004933785878
                   -1 :              -0.00003350756786
                   +0 :              -0.00003202859053
                   +1 :              -0.00003084137156
                   +2 :              -0.00004054802499
             12 vec=    -5.396321      5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00003888711632
                2p
                   -1 :              -0.00006637421597
                   +0 :              -0.00000849732016
                   +1 :               0.00000824986949
                3s
                   +0 :              -0.00025353089213
                4s
                   +0 :              -0.00002035534777
                3p
                   -1 :               0.00011181630413
                   +0 :              -0.00000190200164
                   +1 :              -0.00010270873633
                4p
                   -1 :              -0.00006246604789
                   +0 :              -0.00005360382034
                   +1 :               0.00002111542246
                3d
                   -2 :              -0.00000425976389
                   -1 :              -0.00000406987392
                   +0 :               0.00005612996235
                   +1 :              -0.00002852787754
                   +2 :               0.00007031849010
             13 vec=     2.383842     -7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00001885279012
                2p
                   -1 :              -0.00002514949825
                   +0 :              -0.00000794617401
                   +1 :              -0.00003062143812
                3s
                   +0 :              -0.00026900557301
                4s
                   +0 :               0.00004436348463
                3p
                   -1 :               0.00023024047078
                   +0 :              -0.00013849612990
                   +1 :              -0.00007469609060
                4p
                   -1 :              -0.00005837799349
                   +0 :              -0.00000490038277
                   +1 :              -0.00000527051221
                3d
                   -2 :               0.00006592499400
                   -1 :               0.00007483671049
                   +0 :              -0.00003302460224
                   +1 :              -0.00004156704400
                   +2 :               0.00004568783798
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al(  5)  npairs=  15
              1 vec=    -0.209546     -3.115567     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00021938553463
                2p
                   -1 :               0.00029081530223
                   +0 :               0.00001523488798
                   +1 :               0.00013019144684
                3s
                   +0 :              -0.00093038715173
                4s
                   +0 :               0.00017664547994
                3p
                   -1 :              -0.00141317844896
                   +0 :               0.00009882797511
                   +1 :              -0.00127152040549
                4p
                   -1 :               0.00039013463223
                   +0 :              -0.00018039311270
                   +1 :               0.00012035038663
                3d
                   -2 :              -0.00035544142700
                   -1 :              -0.00013940020777
                   +0 :               0.00017624176666
                   +1 :              -0.00013066819792
                   +2 :               0.00018278952459
              2 vec=    -0.209546      5.868191     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00044643681275
                2p
                   -1 :               0.00020940869962
                   +0 :               0.00015345317570
                   +1 :              -0.00028455688013
                3s
                   +0 :              -0.00101624113492
                4s
                   +0 :               0.00012540453263
                3p
                   -1 :              -0.00089827094578
                   +0 :              -0.00039258735487
                   +1 :               0.00160994781698
                4p
                   -1 :               0.00011661227982
                   +0 :               0.00001650835840
                   +1 :              -0.00023430285648
                3d
                   -2 :               0.00015198427606
                   -1 :              -0.00013356818751
                   +0 :               0.00016769863740
                   +1 :               0.00044842907316
                   +2 :              -0.00002465612712
              3 vec=     7.570617      1.376312     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00030598295587
                2p
                   -1 :               0.00010347435264
                   +0 :              -0.00007462405198
                   +1 :              -0.00002915984582
                3s
                   +0 :               0.00193187481129
                4s
                   +0 :              -0.00032226812033
                3p
                   -1 :              -0.00047571926834
                   +0 :               0.00098479366485
                   +1 :               0.00062722837289
                4p
                   -1 :               0.00024119597322
                   +0 :              -0.00008331526837
                   +1 :              -0.00002570357079
                3d
                   -2 :               0.00000106881485
                   -1 :              -0.00003883774797
                   +0 :               0.00005885861711
                   +1 :               0.00024686461081
                   +2 :               0.00013259368699
              4 vec=    -7.989708      1.376312     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00000437319470
                2p
                   -1 :               0.00003766819257
                   +0 :              -0.00009521786144
                   +1 :              -0.00007940493567
                3s
                   +0 :              -0.00226943413531
                4s
                   +0 :               0.00041770114293
                3p
                   -1 :              -0.00060063053989
                   +0 :              -0.00105602351099
                   +1 :               0.00162931050686
                4p
                   -1 :              -0.00007350284365
                   +0 :               0.00017399282030
                   +1 :              -0.00027755671277
                3d
                   -2 :               0.00022557900449
                   -1 :              -0.00034530183462
                   +0 :              -0.00025056637998
                   +1 :               0.00034425949506
                   +2 :              -0.00026498277485
              5 vec=    -0.209546     -3.115567    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00012130359859
                2p
                   -1 :               0.00003907328240
                   +0 :               0.00004663180796
                   +1 :               0.00005525621191
                3s
                   +0 :               0.00051369926647
                4s
                   +0 :              -0.00013823308739
                3p
                   -1 :              -0.00006914505377
                   +0 :              -0.00029524544200
                   +1 :              -0.00021220579390
                4p
                   -1 :              -0.00001025867105
                   +0 :               0.00009706545278
                   +1 :               0.00004479914396
                3d
                   -2 :               0.00004523216830
                   -1 :               0.00000552007861
                   +0 :               0.00000558482023
                   +1 :               0.00000328434904
                   +2 :               0.00000511108529
              6 vec=    -0.209546      5.868191    -13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00010908148365
                2p
                   -1 :               0.00003085940637
                   +0 :               0.00005884800406
                   +1 :               0.00001893051242
                3s
                   +0 :               0.00059600202071
                4s
                   +0 :              -0.00017242853165
                3p
                   -1 :              -0.00012767648006
                   +0 :              -0.00049238081226
                   +1 :              -0.00005729186737
                4p
                   -1 :               0.00001678010271
                   +0 :               0.00015130238922
                   +1 :               0.00005592009107
                3d
                   -2 :              -0.00005553561140
                   -1 :              -0.00009137348976
                   +0 :               0.00004348167225
                   +1 :               0.00001607733766
                   +2 :              -0.00002290710722
              7 vec=     7.570617     -7.607446     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00012890808114
                2p
                   -1 :              -0.00000024766617
                   +0 :              -0.00001420768533
                   +1 :              -0.00007577651960
                3s
                   +0 :               0.00098679247547
                4s
                   +0 :              -0.00022327826008
                3p
                   -1 :              -0.00029195402521
                   +0 :               0.00030630334137
                   +1 :               0.00038900040422
                4p
                   -1 :               0.00002863292930
                   +0 :              -0.00004931415734
                   +1 :              -0.00012689944331
                3d
                   -2 :              -0.00006151112104
                   -1 :              -0.00007395015079
                   +0 :               0.00005200763065
                   +1 :               0.00003634969773
                   +2 :              -0.00006101798088
              8 vec=    -7.989708     -7.607446     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00005940666872
                2p
                   -1 :               0.00001152063167
                   +0 :              -0.00006920353662
                   +1 :               0.00002779431694
                3s
                   +0 :              -0.00016778257124
                4s
                   +0 :              -0.00001785087856
                3p
                   -1 :               0.00023267183038
                   +0 :               0.00026944429826
                   +1 :              -0.00016380759480
                4p
                   -1 :              -0.00006075001294
                   +0 :              -0.00010453951700
                   +1 :               0.00001433614055
                3d
                   -2 :               0.00000460529575
                   -1 :               0.00003467299025
                   +0 :               0.00000338401262
                   +1 :              -0.00005625208561
                   +2 :               0.00006672879913
              9 vec=     7.570617      1.376312    -13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00008284655772
                2p
                   -1 :              -0.00007054817777
                   +0 :              -0.00000734700279
                   +1 :               0.00001720633539
                3s
                   +0 :              -0.00046119306533
                4s
                   +0 :               0.00014258845507
                3p
                   -1 :               0.00045297056501
                   +0 :               0.00009867983302
                   +1 :               0.00003192396867
                4p
                   -1 :              -0.00014135764511
                   +0 :              -0.00001528180872
                   +1 :              -0.00002404423860
                3d
                   -2 :              -0.00005127598231
                   -1 :              -0.00005100731200
                   +0 :              -0.00000736291157
                   +1 :              -0.00000467309202
                   +2 :               0.00003582995677
             10 vec=    -7.989708      1.376312    -13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00001640582317
                2p
                   -1 :              -0.00002679538015
                   +0 :               0.00001796214758
                   +1 :              -0.00004302532680
                3s
                   +0 :               0.00048986731877
                4s
                   +0 :               0.00004088070595
                3p
                   -1 :              -0.00010743521664
                   +0 :              -0.00013650333391
                   +1 :              -0.00006942658735
                4p
                   -1 :               0.00000148438179
                   +0 :               0.00001803967777
                   +1 :              -0.00004278338615
                3d
                   -2 :               0.00003870142798
                   -1 :               0.00004926552962
                   +0 :              -0.00002392966099
                   +1 :               0.00001536097974
                   +2 :              -0.00002044065544
             11 vec=    -0.209546    -12.099325     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00001978633721
                2p
                   -1 :               0.00000314947475
                   +0 :               0.00003307425663
                   +1 :               0.00001726596895
                3s
                   +0 :              -0.00018957823882
                4s
                   +0 :               0.00006270014091
                3p
                   -1 :               0.00003305201997
                   +0 :              -0.00022909053127
                   +1 :              -0.00007652052280
                4p
                   -1 :              -0.00000410863279
                   +0 :               0.00006499621801
                   +1 :               0.00003072515351
                3d
                   -2 :               0.00000659781388
                   -1 :               0.00004784476768
                   +0 :              -0.00004833408889
                   +1 :              -0.00001059717832
                   +2 :              -0.00000417381063
             12 vec=     7.570617     10.360070     10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00000824907442
                2p
                   -1 :               0.00002681750653
                   +0 :               0.00005687409419
                   +1 :               0.00001090117154
                3s
                   +0 :               0.00029422041573
                4s
                   +0 :               0.00005679839305
                3p
                   -1 :              -0.00007692191102
                   +0 :              -0.00018703614570
                   +1 :               0.00008928008587
                4p
                   -1 :               0.00005117848231
                   +0 :               0.00010105752130
                   +1 :               0.00001390785578
                3d
                   -2 :               0.00003616354611
                   -1 :              -0.00004289457708
                   +0 :              -0.00006695911743
                   +1 :               0.00002434463936
                   +2 :               0.00009709224609
             13 vec=    -7.989708     10.360070     10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00004917283197
                2p
                   -1 :              -0.00003518554201
                   +0 :               0.00001050109954
                   +1 :              -0.00001926678364
                3s
                   +0 :              -0.00020067487407
                4s
                   +0 :               0.00002765589700
                3p
                   -1 :               0.00026430482011
                   +0 :              -0.00006807852370
                   +1 :               0.00009133814841
                4p
                   -1 :              -0.00012654494692
                   +0 :               0.00000717852754
                   +1 :              -0.00002057438709
                3d
                   -2 :              -0.00003081289374
                   -1 :               0.00001577721607
                   +0 :              -0.00004335020878
                   +1 :              -0.00001967293819
                   +2 :              -0.00006743518367
             14 vec=     7.570617     -7.607446    -13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00000758558588
                2p
                   -1 :              -0.00000179368099
                   +0 :              -0.00000067594151
                   +1 :               0.00001984192860
                3s
                   +0 :               0.00064754756593
                4s
                   +0 :              -0.00004784434507
                3p
                   -1 :              -0.00017044384329
                   +0 :              -0.00012487219208
                   +1 :               0.00032258254297
                4p
                   -1 :               0.00002340544197
                   +0 :               0.00004929949834
                   +1 :               0.00001818188605
                3d
                   -2 :              -0.00005737020522
                   -1 :              -0.00000271628989
                   +0 :              -0.00006112846722
                   +1 :               0.00000446443247
                   +2 :               0.00005578075302
             15 vec=    -7.989708     -7.607446    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00001380259935
                2p
                   -1 :              -0.00000139684013
                   +0 :               0.00002068774165
                   +1 :              -0.00000553882449
                3s
                   +0 :              -0.00007688645285
                4s
                   +0 :               0.00001506218112
                3p
                   -1 :               0.00005871204346
                   +0 :              -0.00010910872606
                   +1 :               0.00006361423332
                4p
                   -1 :              -0.00000403043825
                   +0 :               0.00003570430225
                   +1 :              -0.00000929198421
                3d
                   -2 :              -0.00003196936365
                   -1 :               0.00000131962245
                   +0 :               0.00004183172547
                   +1 :               0.00001187732251
                   +2 :               0.00002070811719
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al(  6)  npairs=  13
              1 vec=    -0.209546     -3.115567     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00124594899927
                2p
                   -1 :              -0.00035942523759
                   +0 :              -0.00051332634658
                   +1 :               0.00041582675249
                3s
                   +0 :              -0.00191550505705
                4s
                   +0 :               0.00176042177963
                3p
                   -1 :               0.00088911927894
                   +0 :               0.00071477709192
                   +1 :              -0.00998789839403
                4p
                   -1 :               0.00052723602725
                   +0 :              -0.00047493734963
                   +1 :               0.00071581683987
                3d
                   -2 :               0.00155810594898
                   -1 :              -0.00042178588754
                   +0 :               0.00027696922795
                   +1 :               0.00290645934825
                   +2 :              -0.00049739437808
              2 vec=    -0.209546      5.868191     -6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00063145640843
                2p
                   -1 :               0.00052079172387
                   +0 :              -0.00029023159788
                   +1 :              -0.00033471434819
                3s
                   +0 :              -0.00068753226953
                4s
                   +0 :               0.00263488272054
                3p
                   -1 :              -0.00214418810163
                   +0 :               0.00141578131301
                   +1 :               0.00361215756613
                4p
                   -1 :               0.00128888958303
                   +0 :              -0.00105497842885
                   +1 :              -0.00123264584169
                3d
                   -2 :               0.00159690080572
                   -1 :               0.00074064113282
                   +0 :              -0.00014769642141
                   +1 :              -0.00116074225900
                   +2 :               0.00043055829729
              3 vec=     7.570617      1.376312     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00003842579656
                2p
                   -1 :               0.00030358124823
                   +0 :              -0.00040437454502
                   +1 :              -0.00063062531175
                3s
                   +0 :              -0.00237155190750
                4s
                   +0 :              -0.00009931806594
                3p
                   -1 :               0.00062771115250
                   +0 :               0.00443561845750
                   +1 :               0.00380391624959
                4p
                   -1 :               0.00047642454786
                   +0 :              -0.00049208748233
                   +1 :              -0.00056337586734
                3d
                   -2 :              -0.00051335229414
                   -1 :              -0.00110129203980
                   +0 :              -0.00186041127579
                   +1 :               0.00002287453516
                   +2 :               0.00124913562505
              4 vec=    -7.989708      1.376312     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00142610934968
                2p
                   -1 :              -0.00021954041580
                   +0 :              -0.00037791870796
                   +1 :              -0.00047667796762
                3s
                   +0 :              -0.00649540492613
                4s
                   +0 :               0.00194296354781
                3p
                   -1 :               0.00089771583616
                   +0 :               0.00253171134959
                   +1 :               0.00325480129981
                4p
                   -1 :              -0.00036163472945
                   +0 :              -0.00067979016899
                   +1 :              -0.00077654414880
                3d
                   -2 :              -0.00031907094333
                   -1 :              -0.00022178101333
                   +0 :              -0.00035160167052
                   +1 :              -0.00040718611514
                   +2 :              -0.00050922713245
              5 vec=     7.570617     -7.607446     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00012082926514
                2p
                   -1 :              -0.00001572319881
                   +0 :              -0.00012537641002
                   +1 :               0.00018391746420
                3s
                   +0 :               0.00004404848086
                4s
                   +0 :               0.00023054632648
                3p
                   -1 :              -0.00000544181702
                   +0 :               0.00038422421359
                   +1 :              -0.00088694393630
                4p
                   -1 :               0.00003538589295
                   +0 :              -0.00022053858960
                   +1 :               0.00027736647191
                3d
                   -2 :               0.00009234772724
                   -1 :              -0.00002662190622
                   +0 :               0.00011001538005
                   +1 :               0.00008201294166
                   +2 :              -0.00009800963709
              6 vec=    -7.989708     -7.607446     -6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00042227030895
                2p
                   -1 :              -0.00006907056158
                   +0 :              -0.00026687703155
                   +1 :              -0.00010769237580
                3s
                   +0 :              -0.00177772064949
                4s
                   +0 :               0.00050121381978
                3p
                   -1 :               0.00039302365371
                   +0 :               0.00152530885920
                   +1 :               0.00056490404679
                4p
                   -1 :              -0.00011455708623
                   +0 :              -0.00038106867899
                   +1 :               0.00002279915215
                3d
                   -2 :              -0.00007279479995
                   -1 :              -0.00016667556509
                   +0 :              -0.00012839176250
                   +1 :              -0.00029173451870
                   +2 :               0.00003436678619
              7 vec=    -0.209546    -12.099325     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00019982659403
                2p
                   -1 :               0.00002471600596
                   +0 :              -0.00004436864621
                   +1 :               0.00001964273018
                3s
                   +0 :              -0.00051652590492
                4s
                   +0 :               0.00005312569567
                3p
                   -1 :              -0.00029415057225
                   +0 :               0.00019625951965
                   +1 :              -0.00013757739642
                4p
                   -1 :               0.00013443774376
                   +0 :              -0.00001289077796
                   +1 :               0.00003816531649
                3d
                   -2 :               0.00006751652260
                   -1 :               0.00004949356178
                   +0 :              -0.00010726003415
                   +1 :               0.00005736921487
                   +2 :              -0.00010161136666
              8 vec=     7.570617     10.360070     -6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00013005625134
                2p
                   -1 :               0.00001111282204
                   +0 :              -0.00005500406451
                   +1 :              -0.00009880250232
                3s
                   +0 :              -0.00090095277721
                4s
                   +0 :              -0.00003498761216
                3p
                   -1 :              -0.00007296037463
                   +0 :               0.00040798180946
                   +1 :               0.00063651523290
                4p
                   -1 :              -0.00010545628330
                   +0 :               0.00006628582252
                   +1 :              -0.00016719248800
                3d
                   -2 :               0.00014324618303
                   -1 :               0.00018212626822
                   +0 :              -0.00028165390397
                   +1 :              -0.00006023706575
                   +2 :              -0.00000030690464
              9 vec=    -7.989708     10.360070     -6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00007111995386
                2p
                   -1 :               0.00012762905593
                   +0 :              -0.00004603412384
                   +1 :               0.00010792266945
                3s
                   +0 :               0.00028914673689
                4s
                   +0 :              -0.00006546823850
                3p
                   -1 :              -0.00046562902275
                   +0 :               0.00001339888482
                   +1 :              -0.00059477626625
                4p
                   -1 :               0.00001613009720
                   +0 :              -0.00003882897086
                   +1 :               0.00015872344909
                3d
                   -2 :              -0.00003419628936
                   -1 :               0.00003788892957
                   +0 :               0.00008176622763
                   +1 :               0.00005802045495
                   +2 :               0.00009522791256
             10 vec=    -0.209546     14.851949     -6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00011986118415
                2p
                   -1 :              -0.00004187858639
                   +0 :               0.00003815225162
                   +1 :               0.00000228205691
                3s
                   +0 :               0.00060728857224
                4s
                   +0 :              -0.00017688280351
                3p
                   -1 :               0.00031222985045
                   +0 :              -0.00026375016954
                   +1 :              -0.00001639273871
                4p
                   -1 :              -0.00006319266598
                   +0 :               0.00005320430272
                   +1 :               0.00001613794380
                3d
                   -2 :              -0.00001819370089
                   -1 :              -0.00007400546253
                   +0 :               0.00000987151141
                   +1 :               0.00004144930972
                   +2 :              -0.00003912086951
             11 vec=    15.350780     -3.115567     -6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00001418598459
                2p
                   -1 :              -0.00000106473885
                   +0 :               0.00003343033268
                   +1 :              -0.00000203038919
                3s
                   +0 :               0.00016452220612
                4s
                   +0 :              -0.00009305813350
                3p
                   -1 :              -0.00006336021529
                   +0 :              -0.00026021593527
                   +1 :               0.00003768359343
                4p
                   -1 :              -0.00000957068445
                   +0 :               0.00008246605112
                   +1 :              -0.00002279077827
                3d
                   -2 :              -0.00001678167823
                   -1 :               0.00005513710386
                   +0 :               0.00001748389109
                   +1 :              -0.00000161375032
                   +2 :              -0.00002618697092
             12 vec=   -15.769871     -3.115567     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00005691893381
                2p
                   -1 :              -0.00000718292219
                   +0 :               0.00000364234500
                   +1 :               0.00000174057859
                3s
                   +0 :              -0.00033729098673
                4s
                   +0 :               0.00003030378467
                3p
                   -1 :               0.00003534398465
                   +0 :               0.00006808217110
                   +1 :               0.00009674822949
                4p
                   -1 :               0.00000367596311
                   +0 :               0.00001455233702
                   +1 :               0.00000325616342
                3d
                   -2 :              -0.00002285955550
                   -1 :              -0.00000268230967
                   +0 :               0.00001382757447
                   +1 :              -0.00003425423601
                   +2 :              -0.00004025147009
             13 vec=    15.350780      5.868191     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00000341084542
                2p
                   -1 :               0.00003374299304
                   +0 :               0.00003065906651
                   +1 :               0.00003660201154
                3s
                   +0 :              -0.00020456150794
                4s
                   +0 :               0.00010328283140
                3p
                   -1 :              -0.00028422959951
                   +0 :              -0.00017585602223
                   +1 :              -0.00014890760957
                4p
                   -1 :               0.00007612854997
                   +0 :               0.00003408479465
                   +1 :               0.00009337337690
                3d
                   -2 :              -0.00007460140029
                   -1 :               0.00005050078691
                   +0 :               0.00001608545421
                   +1 :               0.00000926280002
                   +2 :              -0.00001577443198
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al(  7)  npairs=  14
              1 vec=    -0.209546     -3.115567      5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00011880270862
                2p
                   -1 :              -0.00025726235138
                   +0 :              -0.00011172694087
                   +1 :               0.00061374042553
                3s
                   +0 :              -0.00003076612229
                4s
                   +0 :              -0.00102078386449
                3p
                   -1 :               0.00030549143519
                   +0 :               0.00123182838550
                   +1 :              -0.00557954680736
                4p
                   -1 :               0.00058990291530
                   +0 :              -0.00066724425205
                   +1 :               0.00086985286216
                3d
                   -2 :              -0.00100295332659
                   -1 :              -0.00014324982451
                   +0 :              -0.00033796229022
                   +1 :               0.00261838688867
                   +2 :              -0.00054898111649
              2 vec=    -0.209546      5.868191      5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00065349958969
                2p
                   -1 :              -0.00003869485870
                   +0 :              -0.00072310993843
                   +1 :              -0.00087513207812
                3s
                   +0 :              -0.00085996328589
                4s
                   +0 :               0.00053648642796
                3p
                   -1 :              -0.00262912328504
                   +0 :               0.00419453578200
                   +1 :               0.00609319349226
                4p
                   -1 :               0.00040776432861
                   +0 :              -0.00103425238595
                   +1 :              -0.00146843176576
                3d
                   -2 :               0.00166680255112
                   -1 :               0.00073225597536
                   +0 :               0.00093001597493
                   +1 :               0.00126589170763
                   +2 :               0.00053087585057
              3 vec=     7.570617      1.376312      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00044698479162
                2p
                   -1 :              -0.00098544165733
                   +0 :               0.00040155434314
                   +1 :              -0.00019540901000
                3s
                   +0 :               0.00110171050922
                4s
                   +0 :              -0.00025678711420
                3p
                   -1 :               0.00556912025573
                   +0 :              -0.00053673343080
                   +1 :               0.00169501450213
                4p
                   -1 :              -0.00140272411277
                   +0 :               0.00008978499123
                   +1 :              -0.00053873011446
                3d
                   -2 :               0.00039929063096
                   -1 :               0.00075334744697
                   +0 :               0.00035498623855
                   +1 :               0.00039517938760
                   +2 :               0.00048377687397
              4 vec=    -7.989708      1.376312      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00236838606377
                2p
                   -1 :               0.00137026726294
                   +0 :               0.00006039243636
                   +1 :               0.00125125242442
                3s
                   +0 :               0.00608942505715
                4s
                   +0 :              -0.00179138765620
                3p
                   -1 :              -0.00657909216137
                   +0 :              -0.00204554756163
                   +1 :              -0.00520466928594
                4p
                   -1 :               0.00123748865848
                   +0 :               0.00130304092419
                   +1 :               0.00114416641729
                3d
                   -2 :               0.00140010154635
                   -1 :              -0.00076437969809
                   +0 :              -0.00091021267008
                   +1 :               0.00003974508373
                   +2 :               0.00024821270814
              5 vec=     7.570617     -7.607446      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00018358715993
                2p
                   -1 :              -0.00014777327967
                   +0 :               0.00015231838267
                   +1 :               0.00013726613350
                3s
                   +0 :              -0.00031743352363
                4s
                   +0 :               0.00040244617149
                3p
                   -1 :               0.00094119789876
                   +0 :              -0.00019275914094
                   +1 :              -0.00052351624251
                4p
                   -1 :              -0.00037527325506
                   +0 :               0.00006400809761
                   +1 :               0.00027173888358
                3d
                   -2 :               0.00014642012490
                   -1 :               0.00007502537708
                   +0 :               0.00007073722949
                   +1 :              -0.00004626581688
                   +2 :               0.00007284650376
              6 vec=    -7.989708     -7.607446      5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00018791916543
                2p
                   -1 :               0.00012503068425
                   +0 :              -0.00010949067242
                   +1 :               0.00018108221337
                3s
                   +0 :              -0.00009096248538
                4s
                   +0 :              -0.00010396122282
                3p
                   -1 :              -0.00055505400351
                   +0 :               0.00018973320348
                   +1 :              -0.00018212631529
                4p
                   -1 :               0.00009172254560
                   +0 :               0.00000659274489
                   +1 :               0.00006428341391
                3d
                   -2 :               0.00025821387171
                   -1 :              -0.00023505611078
                   +0 :               0.00004025338786
                   +1 :              -0.00016753749594
                   +2 :              -0.00009870512538
              7 vec=    -0.209546    -12.099325      5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00005185949912
                2p
                   -1 :              -0.00002816106895
                   +0 :              -0.00004580479145
                   +1 :               0.00000819639270
                3s
                   +0 :              -0.00020217114873
                4s
                   +0 :               0.00006123837359
                3p
                   -1 :               0.00013323652518
                   +0 :               0.00017786994843
                   +1 :              -0.00011432287532
                4p
                   -1 :              -0.00003285485525
                   +0 :               0.00001766671249
                   +1 :              -0.00001278159153
                3d
                   -2 :               0.00009342040246
                   -1 :              -0.00002910576024
                   +0 :              -0.00000466658422
                   +1 :              -0.00008041857579
                   +2 :               0.00003647231885
              8 vec=     7.570617     10.360070      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00046480011511
                2p
                   -1 :               0.00021980424749
                   +0 :               0.00011186731295
                   +1 :              -0.00004766382000
                3s
                   +0 :              -0.00113600342930
                4s
                   +0 :               0.00021356904502
                3p
                   -1 :              -0.00075317778654
                   +0 :              -0.00039583485095
                   +1 :               0.00027245895395
                4p
                   -1 :               0.00007163824699
                   +0 :               0.00012783373437
                   +1 :              -0.00013120680731
                3d
                   -2 :              -0.00003479572423
                   -1 :              -0.00021580773117
                   +0 :               0.00007259503690
                   +1 :               0.00004444563695
                   +2 :               0.00014638512318
              9 vec=    -7.989708     10.360070      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00009954791017
                2p
                   -1 :              -0.00001014159246
                   +0 :              -0.00004628373369
                   +1 :               0.00010696390412
                3s
                   +0 :               0.00046971222187
                4s
                   +0 :              -0.00023563331678
                3p
                   -1 :               0.00007850135193
                   +0 :               0.00013388751818
                   +1 :              -0.00073176657585
                4p
                   -1 :              -0.00007357166215
                   +0 :              -0.00005491768379
                   +1 :               0.00020903142245
                3d
                   -2 :               0.00001093235053
                   -1 :              -0.00005191649108
                   +0 :              -0.00009292357817
                   +1 :              -0.00006735998588
                   +2 :               0.00005137387178
             10 vec=    -0.209546     14.851949      5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00006755988801
                2p
                   -1 :              -0.00004864224119
                   +0 :              -0.00004986946182
                   +1 :               0.00002566499765
                3s
                   +0 :               0.00035814746344
                4s
                   +0 :              -0.00003584129077
                3p
                   -1 :               0.00033078926668
                   +0 :               0.00028086900032
                   +1 :              -0.00011122467375
                4p
                   -1 :              -0.00005872202074
                   +0 :              -0.00006274060743
                   +1 :               0.00004932944231
                3d
                   -2 :              -0.00000902128869
                   -1 :               0.00003787002776
                   +0 :              -0.00003594238662
                   +1 :              -0.00004198072934
                   +2 :              -0.00007659153859
             11 vec=    15.350780     -3.115567      5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00003211910803
                2p
                   -1 :              -0.00000403220767
                   +0 :               0.00002801930979
                   +1 :               0.00003501630606
                3s
                   +0 :               0.00014217008616
                4s
                   +0 :              -0.00002370727538
                3p
                   -1 :              -0.00008677019849
                   +0 :              -0.00009068547825
                   +1 :              -0.00008590279502
                4p
                   -1 :               0.00002801739861
                   +0 :               0.00000783791936
                   +1 :               0.00001555005846
                3d
                   -2 :               0.00002463711283
                   -1 :               0.00000795887373
                   +0 :               0.00000055692930
                   +1 :              -0.00006869332535
                   +2 :              -0.00003823615231
             12 vec=   -15.769871     -3.115567      5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00015620814889
                2p
                   -1 :               0.00007617827707
                   +0 :              -0.00005501499825
                   +1 :               0.00009339289518
                3s
                   +0 :               0.00033456867045
                4s
                   +0 :              -0.00017447543742
                3p
                   -1 :              -0.00032949057479
                   +0 :               0.00021176136960
                   +1 :              -0.00045476348404
                4p
                   -1 :               0.00007408667660
                   +0 :              -0.00004431920746
                   +1 :               0.00013292334663
                3d
                   -2 :               0.00009375848070
                   -1 :              -0.00007941760624
                   +0 :              -0.00001021624023
                   +1 :              -0.00012852249322
                   +2 :               0.00004072326946
             13 vec=    15.350780      5.868191      5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00004672526680
                2p
                   -1 :              -0.00000089741102
                   +0 :               0.00001879119696
                   +1 :              -0.00005195982922
                3s
                   +0 :               0.00021349110525
                4s
                   +0 :              -0.00008183735988
                3p
                   -1 :               0.00005459904079
                   +0 :              -0.00006022357787
                   +1 :               0.00028629274771
                4p
                   -1 :              -0.00000357503506
                   +0 :              -0.00000436202584
                   +1 :              -0.00009292186546
                3d
                   -2 :               0.00003242350488
                   -1 :               0.00000479529845
                   +0 :               0.00002744611430
                   +1 :               0.00001111240399
                   +2 :               0.00002053434682
             14 vec=   -15.769871      5.868191      5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00003582752342
                2p
                   -1 :               0.00000095729731
                   +0 :               0.00001688413830
                   +1 :              -0.00000508581387
                3s
                   +0 :              -0.00024091177745
                4s
                   +0 :               0.00005907164328
                3p
                   -1 :               0.00000701657816
                   +0 :              -0.00003239515024
                   +1 :               0.00006441114362
                4p
                   -1 :              -0.00003106467339
                   +0 :              -0.00002400829012
                   +1 :              -0.00002261312753
                3d
                   -2 :               0.00001266833756
                   -1 :              -0.00004576275368
                   +0 :              -0.00000831890932
                   +1 :              -0.00002044286953
                   +2 :               0.00006770741205
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al(  8)  npairs=  14
              1 vec=    -0.209546     -3.115567     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.00023229363539
                2p
                   -1 :               0.00179767027147
                   +0 :               0.00140755312385
                   +1 :              -0.00793978477877
                3s
                   +0 :              -0.02273430648150
                4s
                   +0 :               0.00480481358767
                3p
                   -1 :               0.01870299153175
                   +0 :               0.00670321251976
                   +1 :              -0.03893068307400
                4p
                   -1 :              -0.00111933795643
                   +0 :               0.00009720141835
                   +1 :              -0.00162612298524
                3d
                   -2 :               0.03259502175367
                   -1 :              -0.00640674237926
                   +0 :               0.00106027342657
                   +1 :               0.01803721923592
                   +2 :               0.00840136499088
              2 vec=    -0.209546      5.868191     -1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00074157602703
                2p
                   -1 :              -0.00099887926781
                   +0 :              -0.00044468503309
                   +1 :               0.00057908444965
                3s
                   +0 :               0.00490673506793
                4s
                   +0 :              -0.00039381514131
                3p
                   -1 :               0.00275328426100
                   +0 :               0.00225633767727
                   +1 :              -0.00342361285957
                4p
                   -1 :              -0.00032462995049
                   +0 :              -0.00101911059406
                   +1 :               0.00134800626248
                3d
                   -2 :               0.00190393522689
                   -1 :               0.00045006919725
                   +0 :               0.00098047786925
                   +1 :              -0.00031158536520
                   +2 :               0.00150292405761
              3 vec=     7.570617      1.376312     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00019215111806
                2p
                   -1 :              -0.00008979857990
                   +0 :               0.00043204063693
                   +1 :              -0.00098885037962
                3s
                   +0 :               0.01302973342403
                4s
                   +0 :              -0.00168247878781
                3p
                   -1 :               0.00910930458558
                   +0 :              -0.01185108409725
                   +1 :               0.01359014782324
                4p
                   -1 :              -0.00010542627973
                   +0 :               0.00049036986426
                   +1 :              -0.00222284795253
                3d
                   -2 :               0.00320142714416
                   -1 :              -0.00017488071578
                   +0 :              -0.00130613925956
                   +1 :              -0.00274426860016
                   +2 :               0.00162046522060
              4 vec=    -7.989708      1.376312     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00052346826528
                2p
                   -1 :               0.00083386249086
                   +0 :              -0.00055743615192
                   +1 :               0.00120486553742
                3s
                   +0 :              -0.01023631840394
                4s
                   +0 :               0.00108692600140
                3p
                   -1 :              -0.01176637202864
                   +0 :               0.01025434611072
                   +1 :              -0.00554177544671
                4p
                   -1 :               0.00127942978033
                   +0 :              -0.00136824862216
                   +1 :               0.00137289282403
                3d
                   -2 :               0.00138942557870
                   -1 :               0.00411431719498
                   +0 :              -0.00146172553120
                   +1 :              -0.00125876946087
                   +2 :               0.00407305429777
              5 vec=     7.570617     -7.607446     -1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00052149141301
                2p
                   -1 :               0.00022182383139
                   +0 :              -0.00001582569874
                   +1 :               0.00008336297744
                3s
                   +0 :               0.00403045526051
                4s
                   +0 :              -0.00051861000762
                3p
                   -1 :              -0.00216361611170
                   +0 :              -0.00025975692049
                   +1 :              -0.00030274843652
                4p
                   -1 :               0.00026176795908
                   +0 :               0.00005244068316
                   +1 :               0.00003632267436
                3d
                   -2 :               0.00018505644283
                   -1 :               0.00016690027414
                   +0 :               0.00003673782346
                   +1 :               0.00028718864997
                   +2 :              -0.00026350981291
              6 vec=    -7.989708     -7.607446     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00077626971686
                2p
                   -1 :              -0.00008808626911
                   +0 :               0.00015052735984
                   +1 :              -0.00032125911567
                3s
                   +0 :              -0.00436551305347
                4s
                   +0 :               0.00107541184769
                3p
                   -1 :               0.00202771544078
                   +0 :               0.00045330235504
                   +1 :               0.00225054905560
                4p
                   -1 :              -0.00013845429236
                   +0 :               0.00000808233717
                   +1 :              -0.00053873207790
                3d
                   -2 :              -0.00052470004985
                   -1 :              -0.00032287842843
                   +0 :               0.00014620811015
                   +1 :               0.00000873343820
                   +2 :              -0.00005824620478
              7 vec=    -0.209546    -12.099325     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00005434990858
                2p
                   -1 :              -0.00007271573145
                   +0 :              -0.00005570158230
                   +1 :              -0.00000569381816
                3s
                   +0 :               0.00001054307191
                4s
                   +0 :               0.00009392258312
                3p
                   -1 :               0.00008276875030
                   +0 :               0.00003077768792
                   +1 :               0.00039042026354
                4p
                   -1 :              -0.00012539146759
                   +0 :               0.00004019448710
                   +1 :              -0.00004976686924
                3d
                   -2 :              -0.00013378469260
                   -1 :              -0.00012422496354
                   +0 :              -0.00003740338793
                   +1 :               0.00006185589673
                   +2 :               0.00005798613669
              8 vec=     7.570617     10.360070     -1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00001318827349
                2p
                   -1 :               0.00008911958528
                   +0 :               0.00018578527313
                   +1 :               0.00005896751557
                3s
                   +0 :               0.00013154538122
                4s
                   +0 :               0.00009254203592
                3p
                   -1 :              -0.00098362248525
                   +0 :              -0.00251731593513
                   +1 :               0.00082412066173
                4p
                   -1 :               0.00017583846430
                   +0 :               0.00029462286991
                   +1 :               0.00009260147903
                3d
                   -2 :              -0.00016231939217
                   -1 :              -0.00030634522661
                   +0 :              -0.00018501835908
                   +1 :              -0.00045560441870
                   +2 :               0.00034265071464
              9 vec=    -7.989708     10.360070     -1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00017000571503
                2p
                   -1 :               0.00006251958067
                   +0 :              -0.00013943646156
                   +1 :               0.00001093817241
                3s
                   +0 :              -0.00197120894268
                4s
                   +0 :               0.00047066635010
                3p
                   -1 :              -0.00115764332951
                   +0 :               0.00178090080818
                   +1 :               0.00144937703588
                4p
                   -1 :               0.00035130087877
                   +0 :              -0.00023411373622
                   +1 :              -0.00015171261640
                3d
                   -2 :               0.00034235587900
                   -1 :               0.00045675143472
                   +0 :               0.00004643917388
                   +1 :              -0.00048957749529
                   +2 :              -0.00022753984620
             10 vec=    -0.209546     14.851949     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00010365979441
                2p
                   -1 :              -0.00003773101873
                   +0 :               0.00002306454173
                   +1 :              -0.00002118890418
                3s
                   +0 :               0.00054295737230
                4s
                   +0 :              -0.00014891816794
                3p
                   -1 :               0.00036340935817
                   +0 :              -0.00017658273821
                   +1 :               0.00001945428565
                4p
                   -1 :              -0.00007844250435
                   +0 :               0.00005479463179
                   +1 :              -0.00005890756285
                3d
                   -2 :               0.00004670418817
                   -1 :              -0.00002649087506
                   +0 :              -0.00002310141091
                   +1 :               0.00006653991023
                   +2 :              -0.00007832887531
             11 vec=    15.350780     -3.115567     -1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00014548051122
                2p
                   -1 :               0.00000052593439
                   +0 :               0.00003854961886
                   +1 :              -0.00010282840660
                3s
                   +0 :               0.00029008772436
                4s
                   +0 :              -0.00012528220045
                3p
                   -1 :              -0.00006978380872
                   +0 :              -0.00041098370964
                   +1 :               0.00045288305693
                4p
                   -1 :               0.00001346089260
                   +0 :               0.00011027698812
                   +1 :              -0.00008926542347
                3d
                   -2 :              -0.00008241343385
                   -1 :               0.00001186000026
                   +0 :              -0.00012477649414
                   +1 :              -0.00008930097979
                   +2 :               0.00005820192447
             12 vec=   -15.769871     -3.115567     -1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00007156124552
                2p
                   -1 :               0.00001557569324
                   +0 :               0.00001917655626
                   +1 :              -0.00001483139718
                3s
                   +0 :              -0.00033395657523
                4s
                   +0 :               0.00004313954721
                3p
                   -1 :              -0.00004968518333
                   +0 :              -0.00003389366988
                   +1 :              -0.00002433855643
                4p
                   -1 :               0.00002061847259
                   +0 :               0.00004677509474
                   +1 :               0.00006415436954
                3d
                   -2 :               0.00006667774395
                   -1 :               0.00003862534939
                   +0 :               0.00003674187394
                   +1 :              -0.00001407919700
                   +2 :              -0.00001389208945
             13 vec=    15.350780      5.868191     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00003078891801
                2p
                   -1 :              -0.00003927862999
                   +0 :               0.00000786196914
                   +1 :              -0.00002192572358
                3s
                   +0 :              -0.00018208883034
                4s
                   +0 :               0.00002579309919
                3p
                   -1 :               0.00009536237948
                   +0 :              -0.00013317544577
                   +1 :               0.00017570193374
                4p
                   -1 :              -0.00001523179300
                   +0 :              -0.00000178212597
                   +1 :              -0.00004369780638
                3d
                   -2 :               0.00002994872942
                   -1 :              -0.00006262531182
                   +0 :              -0.00001392434769
                   +1 :              -0.00004807530063
                   +2 :               0.00003784430104
             14 vec=   -15.769871      5.868191     -1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00004097637381
                2p
                   -1 :               0.00000446666419
                   +0 :              -0.00001301523719
                   +1 :               0.00002907658235
                3s
                   +0 :               0.00004732203105
                4s
                   +0 :              -0.00002802320743
                3p
                   -1 :              -0.00006238847527
                   +0 :               0.00030312452458
                   +1 :               0.00001611960231
                4p
                   -1 :               0.00001212981049
                   +0 :              -0.00006338434827
                   +1 :               0.00000929412961
                3d
                   -2 :               0.00003839354478
                   -1 :              -0.00000181086179
                   +0 :               0.00002675064172
                   +1 :              -0.00003278421338
                   +2 :               0.00003053976325
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al(  9)  npairs=  14
              1 vec=    -2.802933      1.376312     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00210990912761
                2p
                   -1 :               0.00014762286625
                   +0 :              -0.00150009598172
                   +1 :              -0.00039829686534
                3s
                   +0 :              -0.00402431202992
                4s
                   +0 :               0.00322328643378
                3p
                   -1 :              -0.00247833473566
                   +0 :               0.00992006501534
                   +1 :               0.00118170530494
                4p
                   -1 :               0.00039180240839
                   +0 :              -0.00412242087310
                   +1 :              -0.00067357719895
                3d
                   -2 :               0.00097950306784
                   -1 :              -0.00061704757523
                   +0 :              -0.00327068296978
                   +1 :              -0.00165670978280
                   +2 :              -0.00095128013038
              2 vec=     4.977229     -3.115567     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00010653505725
                2p
                   -1 :               0.00003520534936
                   +0 :               0.00069351685839
                   +1 :               0.00005370360036
                3s
                   +0 :               0.00562481021208
                4s
                   +0 :              -0.00043264659129
                3p
                   -1 :               0.00019882183953
                   +0 :              -0.00302758597323
                   +1 :               0.00330331416560
                4p
                   -1 :               0.00006315161904
                   +0 :               0.00139878831471
                   +1 :               0.00024275729649
                3d
                   -2 :               0.00084607692604
                   -1 :              -0.00014349457721
                   +0 :              -0.00132101145017
                   +1 :              -0.00023366847995
                   +2 :               0.00153590220058
              3 vec=     4.977229      5.868191     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00058048775302
                2p
                   -1 :              -0.00073781052591
                   +0 :               0.00005276874637
                   +1 :              -0.00027813368640
                3s
                   +0 :               0.00257515181031
                4s
                   +0 :              -0.00000669632885
                3p
                   -1 :               0.00419916806008
                   +0 :               0.00075807793125
                   +1 :               0.00417628645878
                4p
                   -1 :              -0.00014169548234
                   +0 :              -0.00030088997355
                   +1 :              -0.00064403305144
                3d
                   -2 :               0.00069591936281
                   -1 :              -0.00009882466781
                   +0 :               0.00006878083844
                   +1 :              -0.00052309362560
                   +2 :              -0.00234535549802
              4 vec=    -2.802933     -7.607446     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00163812295995
                2p
                   -1 :               0.00092180161705
                   +0 :               0.00047480784327
                   +1 :               0.00050301857829
                3s
                   +0 :               0.00565516181117
                4s
                   +0 :              -0.00151171838389
                3p
                   -1 :              -0.00448621683100
                   +0 :              -0.00211143822097
                   +1 :              -0.00277155773400
                4p
                   -1 :               0.00123285996750
                   +0 :               0.00019482929132
                   +1 :               0.00047958736807
                3d
                   -2 :               0.00064826844952
                   -1 :               0.00073578429217
                   +0 :              -0.00018715594041
                   +1 :               0.00051613082229
                   +2 :               0.00011426116603
              5 vec=    -2.802933     10.360070     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00027598556739
                2p
                   -1 :              -0.00012222709493
                   +0 :               0.00008661674228
                   +1 :               0.00000455974939
                3s
                   +0 :               0.00116566735110
                4s
                   +0 :               0.00001680362239
                3p
                   -1 :               0.00022519977015
                   +0 :              -0.00114140067317
                   +1 :               0.00025483820599
                4p
                   -1 :               0.00006751988716
                   +0 :               0.00021265982226
                   +1 :              -0.00001154236980
                3d
                   -2 :               0.00013552049507
                   -1 :              -0.00035248932182
                   +0 :               0.00025974884928
                   +1 :               0.00000888634415
                   +2 :               0.00001044503456
              6 vec=   -10.583096     -3.115567     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00010648411522
                2p
                   -1 :              -0.00001145677234
                   +0 :               0.00000790952523
                   +1 :               0.00010821026141
                3s
                   +0 :              -0.00044144111189
                4s
                   +0 :              -0.00003799895150
                3p
                   -1 :               0.00056734548860
                   +0 :               0.00019291483226
                   +1 :               0.00015419879572
                4p
                   -1 :              -0.00010522028654
                   +0 :              -0.00006082178925
                   +1 :               0.00009389445663
                3d
                   -2 :              -0.00013671683927
                   -1 :              -0.00000669820068
                   +0 :               0.00011971016030
                   +1 :              -0.00000126444981
                   +2 :              -0.00014561888863
              7 vec=   -10.583096      5.868191     -5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00002931587691
                2p
                   -1 :              -0.00016214553164
                   +0 :               0.00004030862422
                   +1 :              -0.00003917888960
                3s
                   +0 :               0.00024651423417
                4s
                   +0 :              -0.00031708455510
                3p
                   -1 :               0.00096739488370
                   +0 :              -0.00021060124122
                   +1 :               0.00017938311527
                4p
                   -1 :              -0.00025113458411
                   +0 :               0.00007793533159
                   +1 :               0.00009914155278
                3d
                   -2 :              -0.00022378902852
                   -1 :              -0.00009364990953
                   +0 :               0.00003390191051
                   +1 :              -0.00001547611526
                   +2 :               0.00005765724347
              8 vec=    12.757392      1.376312     -5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00064471619450
                2p
                   -1 :               0.00010894478692
                   +0 :              -0.00024623275145
                   +1 :               0.00019401209826
                3s
                   +0 :              -0.00426517283871
                4s
                   +0 :               0.00039070545977
                3p
                   -1 :               0.00016021153656
                   +0 :               0.00241237068707
                   +1 :              -0.00136348410589
                4p
                   -1 :               0.00024483518361
                   +0 :              -0.00038044668049
                   +1 :               0.00009545051992
                3d
                   -2 :               0.00011289695737
                   -1 :              -0.00028138730470
                   +0 :              -0.00033840499875
                   +1 :               0.00065222759149
                   +2 :               0.00008603415989
              9 vec=     4.977229    -12.099325     -5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00004148354030
                2p
                   -1 :               0.00004893969305
                   +0 :              -0.00001216200628
                   +1 :               0.00006367150053
                3s
                   +0 :               0.00048011399131
                4s
                   +0 :              -0.00009339128762
                3p
                   -1 :              -0.00043342189695
                   +0 :               0.00012990498480
                   +1 :              -0.00044835743287
                4p
                   -1 :               0.00006309364004
                   +0 :              -0.00000174015260
                   +1 :               0.00012367089988
                3d
                   -2 :              -0.00005787421663
                   -1 :              -0.00001098911526
                   +0 :               0.00003959689495
                   +1 :              -0.00000453479579
                   +2 :              -0.00006247305081
             10 vec=    12.757392     -7.607446     -5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00015328697477
                2p
                   -1 :              -0.00005968482092
                   +0 :              -0.00000576010208
                   +1 :               0.00010346528831
                3s
                   +0 :              -0.00031265547858
                4s
                   +0 :               0.00015023937144
                3p
                   -1 :               0.00019883924059
                   +0 :              -0.00012554878988
                   +1 :              -0.00042420804297
                4p
                   -1 :              -0.00006545810013
                   +0 :               0.00006733443073
                   +1 :               0.00012006170731
                3d
                   -2 :               0.00001787289711
                   -1 :               0.00000847981569
                   +0 :               0.00005488818390
                   +1 :               0.00004308824257
                   +2 :              -0.00007307494443
             11 vec=     4.977229     14.851949     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00001271356688
                2p
                   -1 :               0.00003098579513
                   +0 :              -0.00002925336909
                   +1 :              -0.00001322331950
                3s
                   +0 :              -0.00017094546400
                4s
                   +0 :               0.00007015297472
                3p
                   -1 :              -0.00020616011422
                   +0 :               0.00018729247074
                   +1 :              -0.00002467613078
                4p
                   -1 :               0.00006757747866
                   +0 :              -0.00002197049917
                   +1 :              -0.00000574863602
                3d
                   -2 :              -0.00002421247939
                   -1 :               0.00006410741757
                   +0 :              -0.00002345696385
                   +1 :               0.00002906262342
                   +2 :               0.00003525033739
             12 vec=   -10.583096    -12.099325     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00007217583047
                2p
                   -1 :              -0.00001646144419
                   +0 :               0.00003029668109
                   +1 :               0.00005713074704
                3s
                   +0 :               0.00018169441494
                4s
                   +0 :              -0.00006170698100
                3p
                   -1 :               0.00015005092674
                   +0 :              -0.00014322129599
                   +1 :              -0.00032827711778
                4p
                   -1 :              -0.00003448999418
                   +0 :               0.00002224187001
                   +1 :               0.00007882181900
                3d
                   -2 :               0.00001692933430
                   -1 :              -0.00001010225356
                   +0 :              -0.00000059370626
                   +1 :               0.00006376885712
                   +2 :               0.00005999641726
             13 vec=    12.757392     10.360070     -5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00004789388065
                2p
                   -1 :               0.00000478315365
                   +0 :              -0.00001392284367
                   +1 :              -0.00000033351149
                3s
                   +0 :              -0.00055265664372
                4s
                   +0 :               0.00003655549607
                3p
                   -1 :              -0.00004159829384
                   +0 :               0.00023091321867
                   +1 :               0.00003125938511
                4p
                   -1 :               0.00001175551499
                   +0 :              -0.00005203183701
                   +1 :              -0.00003267715003
                3d
                   -2 :              -0.00002729976891
                   -1 :               0.00007131675584
                   +0 :              -0.00003591622796
                   +1 :              -0.00001560509448
                   +2 :              -0.00001038465951
             14 vec=    -2.802933    -16.591204     -5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00004124655936
                2p
                   -1 :              -0.00000984869421
                   +0 :               0.00000479396581
                   +1 :              -0.00000685095751
                3s
                   +0 :              -0.00009131601903
                4s
                   +0 :              -0.00001969964917
                3p
                   -1 :               0.00002628953090
                   +0 :              -0.00001677899228
                   +1 :               0.00007231545232
                4p
                   -1 :               0.00002194829097
                   +0 :               0.00001209399734
                   +1 :               0.00000286602420
                3d
                   -2 :               0.00002631902536
                   -1 :              -0.00001480157431
                   +0 :              -0.00000129454032
                   +1 :              -0.00003100764275
                   +2 :              -0.00003566568396
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al( 10)  npairs=  14
              1 vec=    -2.802933      1.376312      1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.04024687799571
                2p
                   -1 :              -0.02139849177056
                   +0 :              -0.02547170606264
                   +1 :               0.03228205200681
                3s
                   +0 :              -0.10885062394234
                4s
                   +0 :              -0.01298626611259
                3p
                   -1 :              -0.04141219545693
                   +0 :              -0.04675116322781
                   +1 :               0.05763303616911
                4p
                   -1 :              -0.01344772428732
                   +0 :              -0.01164262267191
                   +1 :               0.01627540618683
                3d
                   -2 :               0.03944680002749
                   -1 :              -0.03221109790093
                   +0 :              -0.00180406013483
                   +1 :               0.04367973757907
                   +2 :              -0.00835950424827
              2 vec=     4.977229     -3.115567      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00514753906198
                2p
                   -1 :               0.00213201400241
                   +0 :              -0.00070851497136
                   +1 :              -0.00315597774716
                3s
                   +0 :               0.01524491619733
                4s
                   +0 :              -0.00651476099066
                3p
                   -1 :              -0.00926675715788
                   +0 :               0.00288580572863
                   +1 :               0.01155216432202
                4p
                   -1 :               0.00253743390551
                   +0 :              -0.00099970589230
                   +1 :              -0.00396488917524
                3d
                   -2 :              -0.00147602268632
                   -1 :              -0.00041788753835
                   +0 :              -0.00346907969231
                   +1 :               0.00190608730565
                   +2 :               0.00258495410762
              3 vec=     4.977229      5.868191      1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00021836966878
                2p
                   -1 :              -0.00059783011296
                   +0 :               0.00031467967724
                   +1 :               0.00039340549652
                3s
                   +0 :               0.00681387628202
                4s
                   +0 :              -0.00011738494780
                3p
                   -1 :              -0.00044139402384
                   +0 :               0.00211233325828
                   +1 :               0.00271316401036
                4p
                   -1 :              -0.00044961887393
                   +0 :              -0.00028639027262
                   +1 :               0.00020341102938
                3d
                   -2 :              -0.00094132507862
                   -1 :              -0.00032737362516
                   +0 :               0.00054030201213
                   +1 :              -0.00005384486700
                   +2 :               0.00183240856114
              4 vec=    -2.802933     -7.607446      1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00022589642524
                2p
                   -1 :               0.00028991418812
                   +0 :              -0.00013872829591
                   +1 :               0.00012946350859
                3s
                   +0 :              -0.00654621151142
                4s
                   +0 :               0.00015082181164
                3p
                   -1 :               0.00237832731613
                   +0 :              -0.00349632330304
                   +1 :              -0.00338724213116
                4p
                   -1 :               0.00052047972487
                   +0 :               0.00002708248895
                   +1 :               0.00011782294824
                3d
                   -2 :               0.00129513226049
                   -1 :               0.00199088030896
                   +0 :              -0.00048089406678
                   +1 :              -0.00082089046883
                   +2 :               0.00007730969241
              5 vec=    -2.802933     10.360070      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00049051501076
                2p
                   -1 :               0.00032822290707
                   +0 :              -0.00029905925930
                   +1 :               0.00004838829952
                3s
                   +0 :              -0.00036181780645
                4s
                   +0 :               0.00020268472354
                3p
                   -1 :              -0.00137221059318
                   +0 :               0.00170559878208
                   +1 :              -0.00125102518116
                4p
                   -1 :               0.00017181392412
                   +0 :              -0.00019759335672
                   +1 :              -0.00002224966704
                3d
                   -2 :               0.00030787788713
                   -1 :               0.00004197018962
                   +0 :               0.00034062170458
                   +1 :              -0.00037161011363
                   +2 :               0.00039912112866
              6 vec=   -10.583096     -3.115567      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00048906564807
                2p
                   -1 :              -0.00032074087317
                   +0 :               0.00013195626355
                   +1 :              -0.00019775690532
                3s
                   +0 :              -0.00350072031068
                4s
                   +0 :               0.00136232927042
                3p
                   -1 :               0.00205199348266
                   +0 :              -0.00109661872656
                   +1 :               0.00252622648603
                4p
                   -1 :              -0.00064071852228
                   +0 :               0.00022453140717
                   +1 :              -0.00064881479997
                3d
                   -2 :              -0.00089614151136
                   -1 :               0.00019545161171
                   +0 :               0.00024016263152
                   +1 :               0.00055762913338
                   +2 :               0.00011628434573
              7 vec=   -10.583096      5.868191      1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00021590002342
                2p
                   -1 :               0.00001031586705
                   +0 :               0.00012954028796
                   +1 :              -0.00014254789318
                3s
                   +0 :              -0.00087875716832
                4s
                   +0 :              -0.00000485613898
                3p
                   -1 :              -0.00010778296326
                   +0 :              -0.00069892199212
                   +1 :               0.00090853249262
                4p
                   -1 :              -0.00005882322733
                   +0 :               0.00001515222475
                   +1 :              -0.00022848539769
                3d
                   -2 :               0.00005789869788
                   -1 :              -0.00004192655175
                   +0 :               0.00014579414619
                   +1 :              -0.00000659729557
                   +2 :              -0.00015976576534
              8 vec=    12.757392      1.376312      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00029934788079
                2p
                   -1 :               0.00013820247922
                   +0 :               0.00019705614137
                   +1 :               0.00012032951540
                3s
                   +0 :               0.00252739474901
                4s
                   +0 :              -0.00035086704092
                3p
                   -1 :               0.00050202237613
                   +0 :               0.00009316703334
                   +1 :               0.00007964317934
                4p
                   -1 :               0.00016323829502
                   +0 :               0.00017017414105
                   +1 :               0.00004957036381
                3d
                   -2 :               0.00013713498502
                   -1 :               0.00051204553937
                   +0 :               0.00009730690924
                   +1 :               0.00012198430654
                   +2 :              -0.00060783282916
              9 vec=     4.977229    -12.099325      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00005928593293
                2p
                   -1 :               0.00000865103843
                   +0 :              -0.00002174053673
                   +1 :               0.00003061928313
                3s
                   +0 :               0.00051600708662
                4s
                   +0 :              -0.00003765245124
                3p
                   -1 :              -0.00056834378382
                   +0 :               0.00057731607008
                   +1 :              -0.00033394852654
                4p
                   -1 :               0.00007828486074
                   +0 :              -0.00006989269541
                   +1 :               0.00005969443235
                3d
                   -2 :               0.00002549460699
                   -1 :              -0.00021596926086
                   +0 :              -0.00000306654334
                   +1 :              -0.00000326356629
                   +2 :              -0.00018344018609
             10 vec=    12.757392     -7.607446      1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00027552656080
                2p
                   -1 :               0.00003746268761
                   +0 :               0.00000580939970
                   +1 :              -0.00007231288718
                3s
                   +0 :               0.00138089297126
                4s
                   +0 :              -0.00038707765931
                3p
                   -1 :              -0.00031012710502
                   +0 :               0.00004243973080
                   +1 :               0.00051534247539
                4p
                   -1 :               0.00008131843931
                   +0 :               0.00000845106122
                   +1 :              -0.00012851261052
                3d
                   -2 :              -0.00002317910324
                   -1 :              -0.00002723393031
                   +0 :               0.00003988347828
                   +1 :              -0.00002587230566
                   +2 :               0.00000474401577
             11 vec=     4.977229     14.851949      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00010301749613
                2p
                   -1 :              -0.00003351736213
                   +0 :              -0.00002980039035
                   +1 :              -0.00004152536042
                3s
                   +0 :               0.00045645619231
                4s
                   +0 :              -0.00013104683148
                3p
                   -1 :               0.00024041671690
                   +0 :               0.00015900763528
                   +1 :               0.00021641104784
                4p
                   -1 :              -0.00003172889519
                   +0 :              -0.00003101445952
                   +1 :              -0.00002758263119
                3d
                   -2 :              -0.00002281901841
                   -1 :               0.00006789938723
                   +0 :              -0.00003377507863
                   +1 :               0.00003416991673
                   +2 :              -0.00008166857660
             12 vec=   -10.583096    -12.099325      1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00011126623957
                2p
                   -1 :              -0.00002802990681
                   +0 :              -0.00001025220849
                   +1 :              -0.00000016827672
                3s
                   +0 :              -0.00059044541430
                4s
                   +0 :               0.00008365774705
                3p
                   -1 :               0.00015339320811
                   +0 :               0.00000146520019
                   +1 :              -0.00000921356560
                4p
                   -1 :              -0.00002944486371
                   +0 :              -0.00000843561491
                   +1 :               0.00003951800624
                3d
                   -2 :               0.00002800314967
                   -1 :               0.00002808031200
                   +0 :               0.00001469790628
                   +1 :              -0.00002550978356
                   +2 :               0.00004533104671
             13 vec=    12.757392     10.360070      1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00004334880059
                2p
                   -1 :               0.00001569092518
                   +0 :              -0.00001117287158
                   +1 :              -0.00001709356651
                3s
                   +0 :               0.00013869984687
                4s
                   +0 :              -0.00004528620777
                3p
                   -1 :              -0.00006299820428
                   +0 :               0.00004542476736
                   +1 :               0.00009385069309
                4p
                   -1 :              -0.00000648426531
                   +0 :               0.00001842938095
                   +1 :              -0.00002190078355
                3d
                   -2 :              -0.00001737469465
                   -1 :              -0.00001408840734
                   +0 :               0.00001535060412
                   +1 :               0.00005911735165
                   +2 :               0.00000500138244
             14 vec=    -2.802933    -16.591204      1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00000484249252
                2p
                   -1 :              -0.00000173282292
                   +0 :              -0.00001397352957
                   +1 :              -0.00000522278841
                3s
                   +0 :              -0.00008688791704
                4s
                   +0 :               0.00004318975350
                3p
                   -1 :               0.00006611973162
                   +0 :               0.00006921540615
                   +1 :               0.00009001608371
                4p
                   -1 :              -0.00003245374826
                   +0 :              -0.00002148210545
                   +1 :              -0.00000044617778
                3d
                   -2 :              -0.00002815319691
                   -1 :              -0.00003556663080
                   +0 :               0.00000696503127
                   +1 :               0.00002121203585
                   +2 :               0.00001139798392
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al( 11)  npairs=  15
              1 vec=    -2.802933      1.376312    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00053200019696
                2p
                   -1 :               0.00005811451830
                   +0 :               0.00017285872323
                   +1 :              -0.00010918720810
                3s
                   +0 :               0.00197559673687
                4s
                   +0 :              -0.00038048708612
                3p
                   -1 :              -0.00087367507350
                   +0 :              -0.00083896485107
                   +1 :               0.00007690081858
                4p
                   -1 :               0.00007519656904
                   +0 :               0.00024598058245
                   +1 :              -0.00002533282809
                3d
                   -2 :              -0.00001385795111
                   -1 :               0.00001555681554
                   +0 :              -0.00034190388269
                   +1 :              -0.00006081675389
                   +2 :              -0.00033016718914
              2 vec=     4.977229     -3.115567    -10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00037102485135
                2p
                   -1 :              -0.00023574472338
                   +0 :              -0.00015881918171
                   +1 :              -0.00004927810676
                3s
                   +0 :              -0.00002147657916
                4s
                   +0 :               0.00017088305841
                3p
                   -1 :               0.00161854658999
                   +0 :               0.00042939734663
                   +1 :               0.00109054860434
                4p
                   -1 :              -0.00012224549585
                   +0 :              -0.00003658305128
                   +1 :              -0.00017598238634
                3d
                   -2 :               0.00028983064978
                   -1 :              -0.00042999541231
                   +0 :              -0.00017618739860
                   +1 :              -0.00008755827221
                   +2 :               0.00012812177792
              3 vec=     4.977229      5.868191    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00053891062238
                2p
                   -1 :              -0.00012779738672
                   +0 :              -0.00007515506070
                   +1 :               0.00001646161796
                3s
                   +0 :              -0.00359805851545
                4s
                   +0 :               0.00084555155262
                3p
                   -1 :               0.00019183885502
                   +0 :               0.00130556059692
                   +1 :              -0.00012517296085
                4p
                   -1 :              -0.00012867640776
                   +0 :              -0.00023305352435
                   +1 :               0.00030529209892
                3d
                   -2 :               0.00013034158900
                   -1 :              -0.00012691001171
                   +0 :               0.00004674732305
                   +1 :               0.00018683561036
                   +2 :              -0.00057034402832
              4 vec=    -2.802933     -7.607446    -10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00012654729754
                2p
                   -1 :               0.00008707303644
                   +0 :               0.00010502051382
                   +1 :              -0.00007896855379
                3s
                   +0 :              -0.00065958015615
                4s
                   +0 :               0.00001783618720
                3p
                   -1 :               0.00060681213881
                   +0 :               0.00045342399811
                   +1 :               0.00054313786849
                4p
                   -1 :              -0.00001530429479
                   +0 :               0.00005834761020
                   +1 :              -0.00020165531237
                3d
                   -2 :              -0.00013013602416
                   -1 :              -0.00018861719152
                   +0 :               0.00009454598290
                   +1 :              -0.00010390455434
                   +2 :               0.00025898475980
              5 vec=    -2.802933      1.376312     13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00017508821783
                2p
                   -1 :              -0.00002582574095
                   +0 :              -0.00002500693261
                   +1 :               0.00004475907019
                3s
                   +0 :               0.00027213438567
                4s
                   +0 :              -0.00005928105474
                3p
                   -1 :               0.00013028816525
                   +0 :               0.00003764110954
                   +1 :              -0.00019371982681
                4p
                   -1 :              -0.00003195760680
                   +0 :               0.00002218800344
                   +1 :               0.00000292061005
                3d
                   -2 :               0.00000821192523
                   -1 :               0.00000151350043
                   +0 :              -0.00001243793644
                   +1 :               0.00002225806436
                   +2 :              -0.00000120576366
              6 vec=     4.977229     -3.115567     13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00002828448257
                2p
                   -1 :              -0.00004905477559
                   +0 :              -0.00004781742909
                   +1 :               0.00003190114142
                3s
                   +0 :              -0.00002581965362
                4s
                   +0 :              -0.00005702308336
                3p
                   -1 :               0.00036637691640
                   +0 :               0.00027737853040
                   +1 :              -0.00024650165742
                4p
                   -1 :              -0.00005649301295
                   +0 :              -0.00010362649457
                   +1 :              -0.00000049121600
                3d
                   -2 :               0.00006192214760
                   -1 :              -0.00001021186563
                   +0 :               0.00005186618075
                   +1 :               0.00001932282895
                   +2 :              -0.00003005728295
              7 vec=    -2.802933     10.360070    -10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00002541962402
                2p
                   -1 :              -0.00002716863906
                   +0 :               0.00000158621340
                   +1 :              -0.00007128554584
                3s
                   +0 :               0.00058677333250
                4s
                   +0 :              -0.00018886198908
                3p
                   -1 :               0.00031824084162
                   +0 :              -0.00011811609106
                   +1 :               0.00031752382719
                4p
                   -1 :              -0.00010138400166
                   +0 :               0.00003210723003
                   +1 :              -0.00009317138675
                3d
                   -2 :               0.00001872838693
                   -1 :              -0.00002550311412
                   +0 :               0.00011489314847
                   +1 :              -0.00002248757876
                   +2 :              -0.00003164461568
              8 vec=   -10.583096     -3.115567    -10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00004244974660
                2p
                   -1 :               0.00000771299193
                   +0 :               0.00004690475898
                   +1 :               0.00004670983820
                3s
                   +0 :               0.00015084981307
                4s
                   +0 :              -0.00010958853893
                3p
                   -1 :              -0.00017681224953
                   +0 :              -0.00021844568498
                   +1 :              -0.00030131626406
                4p
                   -1 :               0.00005136555605
                   +0 :               0.00007655537281
                   +1 :               0.00011654254358
                3d
                   -2 :               0.00008306711003
                   -1 :               0.00003688653439
                   +0 :               0.00000008826087
                   +1 :               0.00005837203355
                   +2 :               0.00003747143982
              9 vec=     4.977229      5.868191     13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00006822660160
                2p
                   -1 :               0.00001400507733
                   +0 :               0.00006011560384
                   +1 :               0.00000928890161
                3s
                   +0 :              -0.00007006983557
                4s
                   +0 :               0.00006180769862
                3p
                   -1 :               0.00005662335146
                   +0 :              -0.00030440606874
                   +1 :              -0.00002552526245
                4p
                   -1 :               0.00001551651999
                   +0 :               0.00008045613426
                   +1 :              -0.00002433347180
                3d
                   -2 :              -0.00002245443833
                   -1 :               0.00002574070960
                   +0 :              -0.00006907780687
                   +1 :              -0.00001345801377
                   +2 :              -0.00007751581793
             10 vec=    -2.802933     -7.607446     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00007750102635
                2p
                   -1 :              -0.00003220543220
                   +0 :               0.00002650293757
                   +1 :               0.00001226366398
                3s
                   +0 :              -0.00007324316630
                4s
                   +0 :               0.00009383914049
                3p
                   -1 :               0.00000241843527
                   +0 :              -0.00013570740665
                   +1 :              -0.00033630489349
                4p
                   -1 :               0.00001342234766
                   +0 :               0.00004338712509
                   +1 :               0.00003926878456
                3d
                   -2 :               0.00001171313076
                   -1 :               0.00001492887644
                   +0 :              -0.00009464980809
                   +1 :              -0.00002048900522
                   +2 :               0.00003551052549
             11 vec=   -10.583096      5.868191    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00042241239437
                2p
                   -1 :              -0.00005157451403
                   +0 :               0.00015175510718
                   +1 :               0.00012798079094
                3s
                   +0 :               0.00154586790814
                4s
                   +0 :              -0.00045200135216
                3p
                   -1 :               0.00021948407125
                   +0 :              -0.00076566388702
                   +1 :              -0.00053860744839
                4p
                   -1 :              -0.00004747733968
                   +0 :               0.00019365656287
                   +1 :               0.00011153887523
                3d
                   -2 :              -0.00003506729218
                   -1 :              -0.00008667457996
                   +0 :               0.00009110414558
                   +1 :               0.00010463833208
                   +2 :               0.00002341816305
             12 vec=    12.757392      1.376312    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00002317867506
                2p
                   -1 :              -0.00002157798336
                   +0 :               0.00000248523718
                   +1 :              -0.00004797496586
                3s
                   +0 :              -0.00018845828795
                4s
                   +0 :               0.00007491667478
                3p
                   -1 :               0.00027527093800
                   +0 :              -0.00012969602445
                   +1 :               0.00029410494312
                4p
                   -1 :              -0.00004553067560
                   +0 :              -0.00003192106399
                   +1 :              -0.00004960999341
                3d
                   -2 :               0.00004610381610
                   -1 :               0.00003120605455
                   +0 :              -0.00011508289475
                   +1 :              -0.00008785522949
                   +2 :               0.00009842594745
             13 vec=     4.977229    -12.099325    -10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00005454947877
                2p
                   -1 :               0.00000822679628
                   +0 :               0.00001494549388
                   +1 :              -0.00002209049889
                3s
                   +0 :               0.00025448426683
                4s
                   +0 :              -0.00004121829835
                3p
                   -1 :              -0.00006455132732
                   +0 :              -0.00007261282518
                   +1 :               0.00010191341193
                4p
                   -1 :               0.00000937707156
                   +0 :              -0.00000529492104
                   +1 :              -0.00005237019250
                3d
                   -2 :              -0.00004613474604
                   -1 :               0.00001720203656
                   +0 :               0.00001576465368
                   +1 :              -0.00000545630686
                   +2 :              -0.00000676307696
             14 vec=    -2.802933     10.360070     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00006545947081
                2p
                   -1 :               0.00003400189965
                   +0 :               0.00000058128188
                   +1 :               0.00001204156292
                3s
                   +0 :              -0.00019009943339
                4s
                   +0 :               0.00003440078773
                3p
                   -1 :              -0.00014974350868
                   +0 :               0.00002295553547
                   +1 :              -0.00006618951934
                4p
                   -1 :               0.00003343427386
                   +0 :              -0.00002542071497
                   +1 :               0.00002554146133
                3d
                   -2 :              -0.00003950716368
                   -1 :              -0.00002334882595
                   +0 :               0.00002049145811
                   +1 :              -0.00000341511334
                   +2 :              -0.00000033185785
             15 vec=   -10.583096     -3.115567     13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00006084524653
                2p
                   -1 :               0.00001766301477
                   +0 :              -0.00002209562930
                   +1 :               0.00005521760909
                3s
                   +0 :              -0.00008872773977
                4s
                   +0 :              -0.00002079699377
                3p
                   -1 :              -0.00004595286171
                   +0 :               0.00003476849144
                   +1 :              -0.00009111291654
                4p
                   -1 :              -0.00000823839915
                   +0 :               0.00000382602884
                   +1 :               0.00005102643022
                3d
                   -2 :               0.00002784789560
                   -1 :              -0.00003836246983
                   +0 :               0.00002262558239
                   +1 :              -0.00001217996148
                   +2 :              -0.00001134384070
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site Al( 12)  npairs=  13
              1 vec=    -2.802933      1.376312      6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00282474522251
                2p
                   -1 :               0.00060006932795
                   +0 :               0.00159398496712
                   +1 :              -0.00015635250973
                3s
                   +0 :              -0.00946686225607
                4s
                   +0 :               0.00419832009191
                3p
                   -1 :              -0.00748242345271
                   +0 :              -0.00291395517540
                   +1 :              -0.00191954460835
                4p
                   -1 :               0.00121702692420
                   +0 :               0.00174923385615
                   +1 :              -0.00003191157721
                3d
                   -2 :              -0.00044086931416
                   -1 :              -0.00066112586504
                   +0 :               0.00127749664368
                   +1 :              -0.00181089036904
                   +2 :               0.00064092478753
              2 vec=     4.977229     -3.115567      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00132315864679
                2p
                   -1 :              -0.00040964454924
                   +0 :              -0.00032113424538
                   +1 :              -0.00004924561737
                3s
                   +0 :               0.01189599528200
                4s
                   +0 :              -0.00063244136057
                3p
                   -1 :               0.00020886585304
                   +0 :               0.00634500920838
                   +1 :               0.00440813545985
                4p
                   -1 :              -0.00133689838267
                   +0 :              -0.00007955178505
                   +1 :               0.00037858378147
                3d
                   -2 :              -0.00068924233084
                   -1 :              -0.00064773154602
                   +0 :               0.00025361028021
                   +1 :               0.00214061018456
                   +2 :               0.00196733486344
              3 vec=     4.977229      5.868191      6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00131581817026
                2p
                   -1 :              -0.00048503989704
                   +0 :              -0.00024944616993
                   +1 :              -0.00080804478956
                3s
                   +0 :               0.00754716872337
                4s
                   +0 :              -0.00316052460655
                3p
                   -1 :               0.00321007499824
                   +0 :               0.00302729615215
                   +1 :               0.00526064921627
                4p
                   -1 :              -0.00126884164427
                   +0 :              -0.00100064028814
                   +1 :              -0.00157174625753
                3d
                   -2 :               0.00085753869570
                   -1 :               0.00042196664253
                   +0 :              -0.00024481543534
                   +1 :               0.00081018414377
                   +2 :              -0.00010368780723
              4 vec=    -2.802933     -7.607446      6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00059668079580
                2p
                   -1 :               0.00004400276133
                   +0 :               0.00023774949440
                   +1 :              -0.00002660251477
                3s
                   +0 :              -0.00267136246065
                4s
                   +0 :               0.00063169551383
                3p
                   -1 :              -0.00012974933102
                   +0 :              -0.00057501427524
                   +1 :               0.00001960196955
                4p
                   -1 :               0.00021528311082
                   +0 :               0.00017181857424
                   +1 :              -0.00008095450582
                3d
                   -2 :               0.00000276233692
                   -1 :              -0.00008573022511
                   +0 :              -0.00063671742980
                   +1 :              -0.00043069947925
                   +2 :              -0.00020268798374
              5 vec=    -2.802933     10.360070      6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00023572116334
                2p
                   -1 :              -0.00002212538138
                   +0 :               0.00024785997579
                   +1 :               0.00012660042833
                3s
                   +0 :              -0.00154645241592
                4s
                   +0 :               0.00064739388505
                3p
                   -1 :              -0.00039456414617
                   +0 :              -0.00171141254877
                   +1 :              -0.00073897303765
                4p
                   -1 :               0.00007106148578
                   +0 :               0.00042110773284
                   +1 :               0.00022893940724
                3d
                   -2 :              -0.00002695270477
                   -1 :              -0.00033240846911
                   +0 :              -0.00014255246164
                   +1 :              -0.00003113820151
                   +2 :               0.00005579459192
              6 vec=   -10.583096     -3.115567      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00037353595713
                2p
                   -1 :               0.00003049819371
                   +0 :               0.00002167206495
                   +1 :               0.00001297282378
                3s
                   +0 :              -0.00263142411088
                4s
                   +0 :               0.00038428256584
                3p
                   -1 :               0.00014014632348
                   +0 :              -0.00100129491466
                   +1 :               0.00048866143931
                4p
                   -1 :               0.00018964411802
                   +0 :               0.00013605850085
                   +1 :               0.00001721529179
                3d
                   -2 :              -0.00012427030111
                   -1 :               0.00012410069994
                   +0 :              -0.00005289743786
                   +1 :               0.00021562009383
                   +2 :              -0.00021639413392
              7 vec=   -10.583096      5.868191      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00005616162078
                2p
                   -1 :              -0.00004751830860
                   +0 :              -0.00005945268954
                   +1 :              -0.00012564689487
                3s
                   +0 :              -0.00100552999393
                4s
                   +0 :               0.00050771244326
                3p
                   -1 :              -0.00030519823609
                   +0 :               0.00021479017025
                   +1 :               0.00109571400224
                4p
                   -1 :               0.00022519615236
                   +0 :               0.00003736930183
                   +1 :              -0.00042274164810
                3d
                   -2 :               0.00014084274080
                   -1 :              -0.00009441379494
                   +0 :               0.00006344259925
                   +1 :              -0.00008058333181
                   +2 :               0.00000530087483
              8 vec=    12.757392      1.376312      6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00019059495308
                2p
                   -1 :               0.00006899540620
                   +0 :              -0.00014423256815
                   +1 :              -0.00006040370894
                3s
                   +0 :               0.00088118176432
                4s
                   +0 :              -0.00024581464165
                3p
                   -1 :              -0.00034215752438
                   +0 :               0.00058673181832
                   +1 :               0.00038896238710
                4p
                   -1 :               0.00011457335571
                   +0 :              -0.00010060533152
                   +1 :              -0.00009795215399
                3d
                   -2 :               0.00001135949135
                   -1 :              -0.00006958713989
                   +0 :               0.00008915885443
                   +1 :               0.00008422963952
                   +2 :              -0.00000486081392
              9 vec=     4.977229    -12.099325      6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00001017737201
                2p
                   -1 :              -0.00000609817315
                   +0 :               0.00001500639126
                   +1 :               0.00004515541391
                3s
                   +0 :               0.00021234946288
                4s
                   +0 :              -0.00006267757148
                3p
                   -1 :              -0.00002959975054
                   +0 :              -0.00007568109743
                   +1 :              -0.00026334939273
                4p
                   -1 :               0.00000659814045
                   +0 :               0.00000557446405
                   +1 :               0.00002777919970
                3d
                   -2 :               0.00002369042398
                   -1 :              -0.00001038077620
                   +0 :              -0.00001310735932
                   +1 :              -0.00006044309047
                   +2 :               0.00002497399671
             10 vec=    12.757392     -7.607446      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00012338309375
                2p
                   -1 :               0.00002620597480
                   +0 :              -0.00006583638303
                   +1 :              -0.00002861622659
                3s
                   +0 :               0.00059024935938
                4s
                   +0 :              -0.00008595981722
                3p
                   -1 :              -0.00012390076144
                   +0 :               0.00034014097734
                   +1 :               0.00010885320496
                4p
                   -1 :               0.00003356497024
                   +0 :              -0.00005439895040
                   +1 :               0.00002409191177
                3d
                   -2 :              -0.00000286014820
                   -1 :              -0.00003503585753
                   +0 :               0.00003828779920
                   +1 :               0.00006942447826
                   +2 :              -0.00000857196980
             11 vec=     4.977229     14.851949      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00004301146587
                2p
                   -1 :               0.00000577612509
                   +0 :               0.00000246707511
                   +1 :              -0.00001172712075
                3s
                   +0 :               0.00030278640050
                4s
                   +0 :              -0.00003755864270
                3p
                   -1 :               0.00000441202850
                   +0 :               0.00004249134516
                   +1 :               0.00004186350718
                4p
                   -1 :               0.00001978099717
                   +0 :              -0.00000243414656
                   +1 :              -0.00001992279231
                3d
                   -2 :               0.00006791508316
                   -1 :               0.00001646346700
                   +0 :               0.00002258941740
                   +1 :               0.00001873234928
                   +2 :              -0.00002589771672
             12 vec=   -10.583096    -12.099325      6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00008057391388
                2p
                   -1 :               0.00001640502288
                   +0 :               0.00003353323808
                   +1 :              -0.00001481240688
                3s
                   +0 :              -0.00050877071759
                4s
                   +0 :               0.00010098715142
                3p
                   -1 :              -0.00003129741095
                   +0 :              -0.00022707046393
                   +1 :               0.00012782188340
                4p
                   -1 :               0.00003113375159
                   +0 :               0.00004219274543
                   +1 :              -0.00001625114236
                3d
                   -2 :              -0.00000550100440
                   -1 :               0.00002528401000
                   +0 :              -0.00001856285865
                   +1 :               0.00005129787211
                   +2 :              -0.00003605542338
             13 vec=    12.757392     10.360070      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00003613806617
                2p
                   -1 :               0.00001735469348
                   +0 :               0.00001042692781
                   +1 :              -0.00001515558892
                3s
                   +0 :               0.00019583484637
                4s
                   +0 :              -0.00008139072032
                3p
                   -1 :              -0.00014210224550
                   +0 :              -0.00006565496426
                   +1 :               0.00019201066334
                4p
                   -1 :               0.00004334935886
                   +0 :               0.00000338765714
                   +1 :              -0.00006305409330
                3d
                   -2 :               0.00002078342320
                   -1 :              -0.00004024333149
                   +0 :               0.00001779484391
                   +1 :              -0.00001890399149
                   +2 :               0.00001145463529
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 13)  npairs=  12
              1 vec=     4.767684      0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00542366926222
                2s
                   +0 :               0.10888631107561
                3s
                   +0 :              -0.01193820071630
                2p
                   -1 :              -0.00565056872509
                   +0 :               0.00123243245621
                   +1 :               0.05681525061305
                3p
                   -1 :               0.00289254524657
                   +0 :              -0.00277798598622
                   +1 :              -0.00747189244970
                3d
                   -2 :               0.00138670251575
                   -1 :               0.00043316362224
                   +0 :              -0.00116911500539
                   +1 :              -0.00048191890858
                   +2 :               0.00243593585371
              2 vec=    -3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00184663960541
                2s
                   +0 :              -0.03400513786205
                3s
                   +0 :               0.00273513231665
                2p
                   -1 :               0.02353530619135
                   +0 :               0.00262406131232
                   +1 :               0.01091502412940
                3p
                   -1 :              -0.00197052780579
                   +0 :              -0.00158087183668
                   +1 :              -0.00070284595932
                3d
                   -2 :              -0.00105360592593
                   -1 :              -0.00039190041659
                   +0 :               0.00089566962207
                   +1 :              -0.00050227851108
                   +2 :               0.00131193333768
              3 vec=    -3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00034267615509
                2s
                   +0 :              -0.02460526795634
                3s
                   +0 :              -0.00509871868431
                2p
                   -1 :              -0.02408901685685
                   +0 :               0.00391420657672
                   +1 :               0.00925505405696
                3p
                   -1 :              -0.00359888817862
                   +0 :              -0.00322732256183
                   +1 :               0.00104016176625
                3d
                   -2 :               0.00177597628974
                   -1 :              -0.00068236768435
                   +0 :               0.00123277137673
                   +1 :              -0.00053723270723
                   +2 :               0.00155662102701
              4 vec=     4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00021830463061
                2s
                   +0 :               0.00227395788483
                3s
                   +0 :              -0.00032844760227
                2p
                   -1 :              -0.00171203216391
                   +0 :              -0.00038543614201
                   +1 :               0.00073413090902
                3p
                   -1 :               0.00008589685404
                   +0 :               0.00021442616297
                   +1 :              -0.00017467532541
                3d
                   -2 :              -0.00005672096613
                   -1 :               0.00003579616133
                   +0 :               0.00001638883502
                   +1 :               0.00006103823085
                   +2 :              -0.00001668072392
              5 vec=     4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00023876846345
                2s
                   +0 :               0.00277614399733
                3s
                   +0 :              -0.00000814773653
                2p
                   -1 :               0.00347413631605
                   +0 :              -0.00047386113726
                   +1 :               0.00073109384055
                3p
                   -1 :               0.00012325448377
                   +0 :               0.00025299887243
                   +1 :               0.00057729029260
                3d
                   -2 :               0.00030454967174
                   -1 :               0.00003382772166
                   +0 :              -0.00018490425011
                   +1 :               0.00001216461190
                   +2 :              -0.00011250485572
              6 vec=   -10.792642     -0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00106149100870
                2s
                   +0 :              -0.00882105895828
                3s
                   +0 :               0.00259208682058
                2p
                   -1 :              -0.00034616154262
                   +0 :              -0.00096822125446
                   +1 :               0.00970918163895
                3p
                   -1 :              -0.00011618125289
                   +0 :               0.00140135045127
                   +1 :              -0.00319372761168
                3d
                   -2 :               0.00003373819350
                   -1 :              -0.00008640735314
                   +0 :               0.00006547812994
                   +1 :              -0.00004857164111
                   +2 :              -0.00009777027866
              7 vec=    12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00008841928313
                2s
                   +0 :               0.00095770284726
                3s
                   +0 :              -0.00005866677789
                2p
                   -1 :              -0.00001012761441
                   +0 :               0.00003791840715
                   +1 :              -0.00025317848106
                3p
                   -1 :              -0.00021508071462
                   +0 :              -0.00003724633685
                   +1 :               0.00038659929381
                3d
                   -2 :              -0.00000327847655
                   -1 :               0.00001900102820
                   +0 :              -0.00003577574990
                   +1 :               0.00001151191095
                   +2 :              -0.00001274570452
              8 vec=    12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00003417336871
                2s
                   +0 :               0.00000383754729
                3s
                   +0 :               0.00001227078561
                2p
                   -1 :               0.00048306485729
                   +0 :              -0.00010890197236
                   +1 :              -0.00046518522628
                3p
                   -1 :              -0.00044492552645
                   +0 :              -0.00016122657227
                   +1 :               0.00042337817062
                3d
                   -2 :              -0.00006593398414
                   -1 :              -0.00005243400069
                   +0 :              -0.00003838172304
                   +1 :              -0.00002609008340
                   +2 :              -0.00000825082413
              9 vec=    -3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00001632569107
                2s
                   +0 :              -0.00002413667344
                3s
                   +0 :              -0.00005375809565
                2p
                   -1 :               0.00005307760517
                   +0 :              -0.00001779419918
                   +1 :              -0.00043104993953
                3p
                   -1 :              -0.00003404642223
                   +0 :              -0.00000189386532
                   +1 :               0.00004008968820
                3d
                   -2 :               0.00003299823632
                   -1 :              -0.00000544613355
                   +0 :              -0.00001704727109
                   +1 :               0.00000658564310
                   +2 :              -0.00001460455535
             10 vec=    -3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00009526591277
                2s
                   +0 :               0.00079510883165
                3s
                   +0 :              -0.00018830619276
                2p
                   -1 :               0.00053015124162
                   +0 :              -0.00012362040145
                   +1 :              -0.00066089443201
                3p
                   -1 :              -0.00015959850292
                   +0 :               0.00008476305076
                   +1 :               0.00014899742932
                3d
                   -2 :              -0.00003635957667
                   -1 :               0.00001530822403
                   +0 :               0.00002192965130
                   +1 :              -0.00000034570913
                   +2 :              -0.00001100764872
             11 vec=   -10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00003585477105
                2s
                   +0 :              -0.00064535729995
                3s
                   +0 :               0.00007858743922
                2p
                   -1 :               0.00019597276357
                   +0 :               0.00019499953534
                   +1 :               0.00033301889134
                3p
                   -1 :               0.00007075528721
                   +0 :              -0.00011021208458
                   +1 :              -0.00000451437600
                3d
                   -2 :               0.00000305507793
                   -1 :              -0.00001400467243
                   +0 :               0.00000510437318
                   +1 :              -0.00000217137712
                   +2 :               0.00000980589338
             12 vec=   -10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00004583703031
                2s
                   +0 :              -0.00050532490321
                3s
                   +0 :               0.00012177261296
                2p
                   -1 :              -0.00034658988223
                   +0 :               0.00017007845186
                   +1 :               0.00088084429841
                3p
                   -1 :               0.00019012168431
                   +0 :              -0.00000592324279
                   +1 :              -0.00053762843219
                3d
                   -2 :              -0.00001438838475
                   -1 :               0.00000768983575
                   +0 :              -0.00002095150170
                   +1 :               0.00000622564076
                   +2 :               0.00001762395961
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 14)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00522226049838
                2s
                   +0 :              -0.04779980695732
                3s
                   +0 :               0.01338757642505
                2p
                   -1 :               0.00155826051948
                   +0 :              -0.00449890731537
                   +1 :               0.89330113018678
                3p
                   -1 :               0.00076681909643
                   +0 :               0.00082831807498
                   +1 :              -0.04559296500913
                3d
                   -2 :               0.00291861614034
                   -1 :               0.00030283386678
                   +0 :               0.00141481851524
                   +1 :               0.00445764639737
                   +2 :              -0.00041391758021
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00060850042482
                2s
                   +0 :              -0.00316401410983
                3s
                   +0 :               0.00037956540160
                2p
                   -1 :               0.00188132446712
                   +0 :              -0.00035178338942
                   +1 :               0.00062288125967
                3p
                   -1 :               0.00052238483074
                   +0 :               0.00003539930112
                   +1 :               0.00055042124844
                3d
                   -2 :               0.00002102033369
                   -1 :               0.00021857401867
                   +0 :               0.00011650551348
                   +1 :               0.00004413926787
                   +2 :               0.00021371695389
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00026273852508
                2s
                   +0 :               0.00187677472970
                3s
                   +0 :              -0.00130727981271
                2p
                   -1 :              -0.00018669580494
                   +0 :              -0.00019130092525
                   +1 :              -0.00140270539883
                3p
                   -1 :              -0.00037256371467
                   +0 :               0.00021227579608
                   +1 :               0.00163637283847
                3d
                   -2 :               0.00013548006614
                   -1 :              -0.00006736043812
                   +0 :              -0.00014906755729
                   +1 :              -0.00016175962744
                   +2 :              -0.00012752726232
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00011569412611
                2s
                   +0 :               0.00095022045357
                3s
                   +0 :              -0.00043241803932
                2p
                   -1 :              -0.00083321244332
                   +0 :              -0.00002845238504
                   +1 :              -0.00287816447015
                3p
                   -1 :               0.00064970203975
                   +0 :               0.00015034447448
                   +1 :               0.00088104724796
                3d
                   -2 :               0.00000174258167
                   -1 :              -0.00001109604619
                   +0 :               0.00000642815292
                   +1 :               0.00004615885977
                   +2 :              -0.00002127321671
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008099447112
                2s
                   +0 :               0.00025827327882
                3s
                   +0 :               0.00095698678031
                2p
                   -1 :               0.00054833442454
                   +0 :              -0.00051162191999
                   +1 :              -0.00201613523444
                3p
                   -1 :               0.00076604931318
                   +0 :               0.00032108228725
                   +1 :              -0.00026935550147
                3d
                   -2 :              -0.00026158261824
                   -1 :              -0.00007234570784
                   +0 :              -0.00006414945454
                   +1 :               0.00001728637947
                   +2 :              -0.00012627871938
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00012195944702
                2s
                   +0 :               0.00142750800228
                3s
                   +0 :               0.00020790702258
                2p
                   -1 :              -0.00111437941115
                   +0 :               0.00122721921317
                   +1 :               0.00061043792384
                3p
                   -1 :              -0.00103485679823
                   +0 :              -0.00134985539538
                   +1 :               0.00026434973869
                3d
                   -2 :              -0.00014058712031
                   -1 :               0.00001382387299
                   +0 :              -0.00016143228826
                   +1 :              -0.00004873443700
                   +2 :              -0.00028400320724
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00009976054721
                2s
                   +0 :               0.00019750278604
                3s
                   +0 :              -0.00010369111356
                2p
                   -1 :               0.00339097357442
                   +0 :              -0.00136404332319
                   +1 :               0.00455850620563
                3p
                   -1 :              -0.00089051054798
                   +0 :               0.00043132538133
                   +1 :              -0.00237174767827
                3d
                   -2 :              -0.00007848232662
                   -1 :               0.00000734004102
                   +0 :              -0.00005660610173
                   +1 :               0.00001399481834
                   +2 :              -0.00006066156276
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001506204453
                2s
                   +0 :              -0.00076410069392
                3s
                   +0 :              -0.00009327199576
                2p
                   -1 :               0.00013743006490
                   +0 :              -0.00011736628674
                   +1 :               0.00096576331313
                3p
                   -1 :              -0.00009652731783
                   +0 :               0.00019901321494
                   +1 :              -0.00013330763945
                3d
                   -2 :               0.00002971285751
                   -1 :               0.00003628507246
                   +0 :              -0.00002392167845
                   +1 :              -0.00004050221308
                   +2 :              -0.00002331019856
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005604388976
                2s
                   +0 :              -0.00078840445621
                3s
                   +0 :               0.00009786921068
                2p
                   -1 :               0.00051894595450
                   +0 :               0.00001404960875
                   +1 :               0.00035399681859
                3p
                   -1 :              -0.00007707638335
                   +0 :              -0.00003893695467
                   +1 :              -0.00007415383977
                3d
                   -2 :              -0.00001036240100
                   -1 :               0.00000537277802
                   +0 :               0.00000610123303
                   +1 :              -0.00000088506903
                   +2 :               0.00001427629273
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000495023903
                2s
                   +0 :              -0.00022667633174
                3s
                   +0 :               0.00001659526926
                2p
                   -1 :              -0.00068272811423
                   +0 :               0.00018923096324
                   +1 :               0.00006241826273
                3p
                   -1 :               0.00015500290319
                   +0 :              -0.00011164296292
                   +1 :               0.00002341926112
                3d
                   -2 :               0.00000781499222
                   -1 :              -0.00001776366280
                   +0 :              -0.00000388809582
                   +1 :              -0.00000918419384
                   +2 :              -0.00000586278342
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002904863443
                2s
                   +0 :               0.00040749777973
                3s
                   +0 :              -0.00001885506814
                2p
                   -1 :              -0.00026744597590
                   +0 :               0.00006569910713
                   +1 :               0.00012503791643
                3p
                   -1 :               0.00000923402929
                   +0 :              -0.00002478658710
                   +1 :              -0.00003617818760
                3d
                   -2 :              -0.00000445086496
                   -1 :              -0.00000059584454
                   +0 :              -0.00000209215509
                   +1 :               0.00000093776427
                   +2 :               0.00000081192912
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008610288442
                2s
                   +0 :               0.00081741641750
                3s
                   +0 :              -0.00018985388269
                2p
                   -1 :               0.00083176807682
                   +0 :               0.00003057680985
                   +1 :               0.00048298154085
                3p
                   -1 :              -0.00029337089756
                   +0 :              -0.00014417246796
                   +1 :              -0.00008168554554
                3d
                   -2 :               0.00002719328682
                   -1 :               0.00000096912115
                   +0 :              -0.00000194901342
                   +1 :               0.00001287773856
                   +2 :               0.00000149962589
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00007152060877
                2s
                   +0 :               0.00081902154450
                3s
                   +0 :              -0.00018430405220
                2p
                   -1 :               0.00018526165405
                   +0 :              -0.00030941201323
                   +1 :               0.00105975941801
                3p
                   -1 :               0.00000656532571
                   +0 :               0.00006574335097
                   +1 :              -0.00017475659497
                3d
                   -2 :               0.00001552389599
                   -1 :              -0.00000263845836
                   +0 :              -0.00003099709328
                   +1 :               0.00000610226263
                   +2 :               0.00004501717501
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001997215208
                2s
                   +0 :              -0.00018455605966
                3s
                   +0 :               0.00003027880796
                2p
                   -1 :               0.00003071832597
                   +0 :              -0.00000458101187
                   +1 :               0.00002170986272
                3p
                   -1 :               0.00000505985408
                   +0 :               0.00001798990892
                   +1 :               0.00004533128010
                3d
                   -2 :               0.00000251035537
                   -1 :              -0.00000417169820
                   +0 :               0.00000267508352
                   +1 :              -0.00000668416630
                   +2 :              -0.00000206171281
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000179851070
                2s
                   +0 :              -0.00007368908435
                3s
                   +0 :              -0.00001278894910
                2p
                   -1 :              -0.00010776747710
                   +0 :              -0.00001291853070
                   +1 :               0.00003567648253
                3p
                   -1 :               0.00001933112314
                   +0 :               0.00001390682203
                   +1 :               0.00005415098775
                3d
                   -2 :               0.00000149533228
                   -1 :               0.00000121804224
                   +0 :               0.00000189933748
                   +1 :               0.00000051877886
                   +2 :               0.00000038829212
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000157733189
                2s
                   +0 :              -0.00004072009649
                3s
                   +0 :              -0.00000262218651
                2p
                   -1 :               0.00003669388085
                   +0 :              -0.00000666563606
                   +1 :              -0.00003346975511
                3p
                   -1 :               0.00000674916612
                   +0 :              -0.00000879606665
                   +1 :               0.00000514054052
                3d
                   -2 :               0.00000006005781
                   -1 :               0.00000341464506
                   +0 :               0.00000101145484
                   +1 :              -0.00000181914539
                   +2 :               0.00000024566651
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000974403349
                2s
                   +0 :               0.00010388242568
                3s
                   +0 :              -0.00001885035386
                2p
                   -1 :               0.00003437117950
                   +0 :              -0.00002458602820
                   +1 :               0.00001314810457
                3p
                   -1 :              -0.00000920944865
                   +0 :               0.00001666847720
                   +1 :              -0.00001576170650
                3d
                   -2 :              -0.00000013195111
                   -1 :              -0.00000219348541
                   +0 :               0.00000276729685
                   +1 :               0.00000194490088
                   +2 :               0.00000522523296
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002095786937
                2s
                   +0 :               0.00021240729555
                3s
                   +0 :              -0.00005815084215
                2p
                   -1 :              -0.00005748379631
                   +0 :              -0.00001003889864
                   +1 :               0.00016085512966
                3p
                   -1 :               0.00002396025733
                   +0 :              -0.00000758176706
                   +1 :              -0.00003517498705
                3d
                   -2 :               0.00000483531620
                   -1 :              -0.00000468818167
                   +0 :              -0.00000023048584
                   +1 :               0.00000136637632
                   +2 :               0.00000000782730
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002613303245
                2s
                   +0 :              -0.00022397567882
                3s
                   +0 :               0.00006364457760
                2p
                   -1 :               0.00002201934642
                   +0 :              -0.00005685471710
                   +1 :               0.00014829985096
                3p
                   -1 :              -0.00000775453433
                   +0 :              -0.00001597638740
                   +1 :              -0.00008971137545
                3d
                   -2 :               0.00000363122257
                   -1 :               0.00000374947713
                   +0 :              -0.00000682750022
                   +1 :              -0.00000080322812
                   +2 :               0.00000444535278
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 15)  npairs=  12
              1 vec=     2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00233469790663
                2s
                   +0 :               0.05334237442600
                3s
                   +0 :              -0.00494179854412
                2p
                   -1 :               0.03679476638218
                   +0 :              -0.00147431931234
                   +1 :               0.00711807854821
                3p
                   -1 :              -0.00930053412649
                   +0 :              -0.00147259741228
                   +1 :              -0.00247119642684
                3d
                   -2 :               0.00076451784436
                   -1 :               0.00044427534482
                   +0 :              -0.00026542889953
                   +1 :              -0.00090074505718
                   +2 :              -0.00072584184616
              2 vec=    -5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00115842367701
                2s
                   +0 :              -0.05221531094713
                3s
                   +0 :              -0.00259839776473
                2p
                   -1 :               0.00327635862827
                   +0 :               0.00472759624510
                   +1 :               0.03785103748415
                3p
                   -1 :               0.00329086677596
                   +0 :              -0.00456591391799
                   +1 :               0.00658457680078
                3d
                   -2 :              -0.00027927679487
                   -1 :              -0.00008997586816
                   +0 :               0.00208201426112
                   +1 :               0.00097536876169
                   +2 :              -0.00377653681138
              3 vec=     2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00165487206459
                2s
                   +0 :               0.02565104026637
                3s
                   +0 :              -0.00418930475910
                2p
                   -1 :              -0.01972123304629
                   +0 :              -0.00230385844257
                   +1 :               0.00086596734569
                3p
                   -1 :               0.00418934296138
                   +0 :               0.00145503048935
                   +1 :               0.00133397152186
                3d
                   -2 :              -0.00041263207637
                   -1 :               0.00002319118207
                   +0 :              -0.00038025752268
                   +1 :              -0.00034343639957
                   +2 :              -0.00070572941831
              4 vec=    -5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00058947264046
                2s
                   +0 :              -0.00490549524787
                3s
                   +0 :               0.00123725680420
                2p
                   -1 :              -0.00356464247738
                   +0 :               0.00110733880437
                   +1 :               0.00036791875254
                3p
                   -1 :               0.00004873571524
                   +0 :              -0.00074484767562
                   +1 :               0.00084170931835
                3d
                   -2 :               0.00025473624140
                   -1 :              -0.00008633835304
                   +0 :               0.00028887115906
                   +1 :              -0.00000995727930
                   +2 :               0.00004612921342
              5 vec=    10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00020386744569
                2s
                   +0 :               0.00331959856846
                3s
                   +0 :               0.00029828830376
                2p
                   -1 :              -0.00047153007364
                   +0 :              -0.00105660900380
                   +1 :               0.00602614771752
                3p
                   -1 :              -0.00031297132029
                   +0 :               0.00027327797057
                   +1 :               0.00008897064610
                3d
                   -2 :              -0.00002293302834
                   -1 :              -0.00001414004518
                   +0 :              -0.00016449343693
                   +1 :              -0.00008289963497
                   +2 :               0.00033171620377
              6 vec=    -5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00036131523163
                2s
                   +0 :              -0.00361930771321
                3s
                   +0 :               0.00071579144678
                2p
                   -1 :               0.00442160419747
                   +0 :               0.00068070678324
                   +1 :               0.00115542409754
                3p
                   -1 :              -0.00102289974994
                   +0 :              -0.00022129046354
                   +1 :              -0.00014664584141
                3d
                   -2 :              -0.00009124865628
                   -1 :              -0.00000325957697
                   +0 :               0.00008929395297
                   +1 :               0.00009364959464
                   +2 :               0.00011261749843
              7 vec=     2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00004095264780
                2s
                   +0 :               0.00040912206361
                3s
                   +0 :               0.00007367991849
                2p
                   -1 :              -0.00032723907590
                   +0 :              -0.00001355115919
                   +1 :              -0.00018797740238
                3p
                   -1 :               0.00040270477704
                   +0 :               0.00004500200773
                   +1 :               0.00007094582433
                3d
                   -2 :              -0.00000164304891
                   -1 :               0.00002751539737
                   +0 :              -0.00004527709231
                   +1 :              -0.00001927655339
                   +2 :              -0.00001111000703
              8 vec=    10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00005392533599
                2s
                   +0 :               0.00000076059888
                3s
                   +0 :               0.00017246637605
                2p
                   -1 :              -0.00029905658362
                   +0 :              -0.00003261434426
                   +1 :               0.00026851604969
                3p
                   -1 :               0.00042356385509
                   +0 :              -0.00012047459621
                   +1 :              -0.00004542313901
                3d
                   -2 :               0.00002295858810
                   -1 :              -0.00003302572053
                   +0 :              -0.00001691998050
                   +1 :              -0.00001671568773
                   +2 :              -0.00001870968453
              9 vec=   -13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00007317411764
                2s
                   +0 :              -0.00099029848347
                3s
                   +0 :               0.00016548718003
                2p
                   -1 :              -0.00082409633436
                   +0 :               0.00006419563635
                   +1 :               0.00020895369019
                3p
                   -1 :               0.00025331142112
                   +0 :              -0.00007476324421
                   +1 :              -0.00004031552409
                3d
                   -2 :               0.00001279295452
                   -1 :              -0.00003512028506
                   +0 :               0.00001404602971
                   +1 :               0.00000594998839
                   +2 :               0.00001390752478
             10 vec=    10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00008672099783
                2s
                   +0 :               0.00102717250243
                3s
                   +0 :              -0.00013462334204
                2p
                   -1 :              -0.00107229049958
                   +0 :              -0.00004102761400
                   +1 :               0.00033210713841
                3p
                   -1 :               0.00041380686280
                   +0 :              -0.00003517370019
                   +1 :               0.00006215668882
                3d
                   -2 :              -0.00000079247302
                   -1 :              -0.00001011456494
                   +0 :              -0.00000716283615
                   +1 :              -0.00001604993710
                   +2 :               0.00001545114520
             11 vec=   -13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00000046955702
                2s
                   +0 :              -0.00039541307554
                3s
                   +0 :               0.00001293162872
                2p
                   -1 :               0.00017419117561
                   +0 :              -0.00018023774919
                   +1 :               0.00015799571359
                3p
                   -1 :               0.00002737402670
                   +0 :               0.00022833201791
                   +1 :               0.00000431604761
                3d
                   -2 :               0.00001746008390
                   -1 :              -0.00000800196803
                   +0 :               0.00000441161777
                   +1 :               0.00000413765045
                   +2 :               0.00002086763030
             12 vec=     2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00000125779454
                2s
                   +0 :               0.00005542794571
                3s
                   +0 :               0.00000312580625
                2p
                   -1 :               0.00009752203164
                   +0 :               0.00003158230783
                   +1 :              -0.00011670270586
                3p
                   -1 :              -0.00011260238752
                   +0 :              -0.00004327795704
                   +1 :              -0.00005973524930
                3d
                   -2 :               0.00000605706681
                   -1 :               0.00000526553497
                   +0 :               0.00000251806048
                   +1 :               0.00000209746684
                   +2 :               0.00000101448619
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 16)  npairs=  14
              1 vec=     0.000000      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00015008852121
                2s
                   +0 :               0.00116242462976
                3s
                   +0 :              -0.00045333273616
                2p
                   -1 :              -0.00014884103324
                   +0 :              -0.00048620007163
                   +1 :              -0.00002195208464
                3p
                   -1 :               0.00003904874625
                   +0 :               0.00033267956273
                   +1 :               0.00023503245229
                3d
                   -2 :               0.00000154614680
                   -1 :               0.00002240853201
                   +0 :              -0.00001765234984
                   +1 :              -0.00001315461160
                   +2 :              -0.00001881500577
              2 vec=     0.000000      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008542730547
                2s
                   +0 :              -0.00065248883802
                3s
                   +0 :               0.00029962520223
                2p
                   -1 :               0.00022209057213
                   +0 :              -0.00057842576998
                   +1 :               0.00031759868124
                3p
                   -1 :              -0.00022085169694
                   +0 :               0.00044967394340
                   +1 :              -0.00019365943524
                3d
                   -2 :               0.00002188510189
                   -1 :              -0.00002427400117
                   +0 :               0.00004423251986
                   +1 :              -0.00000698345812
                   +2 :              -0.00000572582938
              3 vec=     0.000000     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004173772283
                2s
                   +0 :               0.00051188940760
                3s
                   +0 :              -0.00004738184473
                2p
                   -1 :              -0.00015465808232
                   +0 :              -0.00040477678986
                   +1 :              -0.00087282103420
                3p
                   -1 :               0.00003318383300
                   +0 :               0.00010522025945
                   +1 :               0.00020518479254
                3d
                   -2 :               0.00003144448268
                   -1 :               0.00002184239656
                   +0 :              -0.00001961508610
                   +1 :               0.00004777663000
                   +2 :               0.00000416281161
              4 vec=     0.000000     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00008404348174
                2s
                   +0 :              -0.00033462723133
                3s
                   +0 :               0.00024435582723
                2p
                   -1 :               0.00040808873750
                   +0 :               0.00020414990449
                   +1 :              -0.00074256065555
                3p
                   -1 :              -0.00036444864646
                   +0 :              -0.00001821718218
                   +1 :               0.00004773709545
                3d
                   -2 :               0.00001068284570
                   -1 :              -0.00003045155299
                   +0 :              -0.00000850734540
                   +1 :              -0.00004516021466
                   +2 :              -0.00000385318225
              5 vec=    -7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000165789050
                2s
                   +0 :               0.00002588648229
                3s
                   +0 :              -0.00000441937069
                2p
                   -1 :              -0.00014269571052
                   +0 :               0.00009167966550
                   +1 :               0.00006145672716
                3p
                   -1 :               0.00011555963246
                   +0 :               0.00002303436694
                   +1 :              -0.00004638894878
                3d
                   -2 :              -0.00000191576566
                   -1 :              -0.00001976109781
                   +0 :               0.00001775880233
                   +1 :               0.00000549581690
                   +2 :               0.00000095241986
              6 vec=    -7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002911115314
                2s
                   +0 :              -0.00060635471873
                3s
                   +0 :              -0.00001392834227
                2p
                   -1 :               0.00048414420343
                   +0 :              -0.00046290313809
                   +1 :               0.00031176126718
                3p
                   -1 :              -0.00018412715085
                   +0 :               0.00012300748497
                   +1 :              -0.00020000621707
                3d
                   -2 :               0.00000864503828
                   -1 :               0.00000864541182
                   +0 :               0.00000877907392
                   +1 :               0.00000101151144
                   +2 :               0.00002527714546
              7 vec=     7.780163     -1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002278535029
                2s
                   +0 :              -0.00013673292139
                3s
                   +0 :               0.00008754061366
                2p
                   -1 :               0.00004681352817
                   +0 :               0.00016406589535
                   +1 :              -0.00016426697528
                3p
                   -1 :               0.00005449946481
                   +0 :              -0.00014699806356
                   +1 :               0.00025093719618
                3d
                   -2 :               0.00000027667233
                   -1 :              -0.00000054888228
                   +0 :               0.00000216125701
                   +1 :              -0.00003508589612
                   +2 :               0.00000319412897
              8 vec=     7.780163     -1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00003704286082
                2s
                   +0 :               0.00039069346511
                3s
                   +0 :              -0.00012567482280
                2p
                   -1 :               0.00003253473466
                   +0 :               0.00018816829309
                   +1 :              -0.00005470930618
                3p
                   -1 :              -0.00011728492112
                   +0 :              -0.00006381398240
                   +1 :               0.00004737394232
                3d
                   -2 :              -0.00000741727407
                   -1 :              -0.00000540383069
                   +0 :              -0.00002100515360
                   +1 :               0.00000432920235
                   +2 :              -0.00000252307461
              9 vec=    -7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00003721225566
                2s
                   +0 :               0.00034450187933
                3s
                   +0 :              -0.00007515668396
                2p
                   -1 :               0.00020082522568
                   +0 :              -0.00026840949604
                   +1 :               0.00007606395435
                3p
                   -1 :              -0.00018505584671
                   +0 :               0.00019901934508
                   +1 :              -0.00012953399676
                3d
                   -2 :               0.00001358283579
                   -1 :               0.00002609904091
                   +0 :              -0.00000917657489
                   +1 :               0.00002405504389
                   +2 :               0.00001422054257
             10 vec=    -7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003292113338
                2s
                   +0 :              -0.00023038305727
                3s
                   +0 :               0.00006839197422
                2p
                   -1 :              -0.00015161699480
                   +0 :              -0.00015632219373
                   +1 :               0.00033898424214
                3p
                   -1 :               0.00004481323071
                   +0 :               0.00005106128340
                   +1 :              -0.00027803017136
                3d
                   -2 :              -0.00000820514120
                   -1 :               0.00000354609032
                   +0 :               0.00000530735906
                   +1 :              -0.00002176379441
                   +2 :               0.00000499276211
             11 vec=     7.780163      7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00016007210319
                2s
                   +0 :              -0.00147720370552
                3s
                   +0 :               0.00034474165598
                2p
                   -1 :              -0.00024143219633
                   +0 :               0.00060560295526
                   +1 :              -0.00007340216106
                3p
                   -1 :              -0.00001754248759
                   +0 :              -0.00029781718953
                   +1 :               0.00006680534729
                3d
                   -2 :              -0.00001279353613
                   -1 :               0.00001868205178
                   +0 :              -0.00000130167482
                   +1 :              -0.00000386389133
                   +2 :               0.00004138774364
             12 vec=     7.780163      7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001099114224
                2s
                   +0 :               0.00015760786502
                3s
                   +0 :               0.00000849843403
                2p
                   -1 :              -0.00007674473507
                   +0 :               0.00003821845272
                   +1 :              -0.00021000998966
                3p
                   -1 :               0.00007553973019
                   +0 :               0.00003959741956
                   +1 :               0.00017744804371
                3d
                   -2 :               0.00000051605730
                   -1 :               0.00000675731602
                   +0 :               0.00000350414009
                   +1 :               0.00000669562731
                   +2 :              -0.00001748157965
             13 vec=     0.000000     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000682983576
                2s
                   +0 :              -0.00000769917917
                3s
                   +0 :               0.00005802199717
                2p
                   -1 :               0.00000159754259
                   +0 :               0.00015953225689
                   +1 :               0.00007625265493
                3p
                   -1 :               0.00004035401163
                   +0 :              -0.00015297168257
                   +1 :               0.00001880384430
                3d
                   -2 :               0.00000851898422
                   -1 :              -0.00000463523794
                   +0 :               0.00000985797009
                   +1 :               0.00000588419733
                   +2 :               0.00000052261785
             14 vec=     0.000000     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001308159598
                2s
                   +0 :               0.00006834117447
                3s
                   +0 :              -0.00001824256901
                2p
                   -1 :              -0.00009328202016
                   +0 :               0.00000115809976
                   +1 :              -0.00004519200480
                3p
                   -1 :               0.00005630007512
                   +0 :               0.00002107345235
                   +1 :               0.00005583435383
                3d
                   -2 :               0.00000526397408
                   -1 :               0.00000758878265
                   +0 :              -0.00000048532585
                   +1 :               0.00000827771831
                   +2 :              -0.00000848640231
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 17)  npairs=  18
              1 vec=    -3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00003334910506
                2s
                   +0 :               0.00022589652909
                3s
                   +0 :              -0.00016223919137
                2p
                   -1 :               0.00011460481677
                   +0 :              -0.00014207450581
                   +1 :              -0.00012857545961
                3p
                   -1 :              -0.00016099638294
                   +0 :               0.00019052648562
                   +1 :               0.00006251793582
                3d
                   -2 :               0.00001092702807
                   -1 :              -0.00001374218724
                   +0 :              -0.00000924618053
                   +1 :               0.00000110232490
                   +2 :               0.00000130593555
              2 vec=    -3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006363915248
                2s
                   +0 :              -0.00062632247461
                3s
                   +0 :               0.00017084229222
                2p
                   -1 :              -0.00052826757504
                   +0 :              -0.00034036505830
                   +1 :              -0.00007078687650
                3p
                   -1 :               0.00037692684811
                   +0 :               0.00019299353000
                   +1 :              -0.00000170349458
                3d
                   -2 :              -0.00001410719500
                   -1 :              -0.00000353964203
                   +0 :               0.00005624039734
                   +1 :               0.00000518223832
                   +2 :              -0.00000282931001
              3 vec=     4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00000641918630
                2s
                   +0 :              -0.00010592592269
                3s
                   +0 :              -0.00004082768088
                2p
                   -1 :               0.00058824038809
                   +0 :              -0.00021909411054
                   +1 :               0.00058472354354
                3p
                   -1 :              -0.00017021374248
                   +0 :               0.00016334797255
                   +1 :              -0.00021327333404
                3d
                   -2 :              -0.00005168450438
                   -1 :              -0.00003115083360
                   +0 :               0.00001034790963
                   +1 :              -0.00000188436702
                   +2 :              -0.00001111791252
              4 vec=     4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00003825458788
                2s
                   +0 :               0.00039253537259
                3s
                   +0 :              -0.00006397661683
                2p
                   -1 :               0.00045579849767
                   +0 :               0.00029199187178
                   +1 :              -0.00049303557535
                3p
                   -1 :              -0.00012731363586
                   +0 :              -0.00008471359706
                   +1 :               0.00026917998367
                3d
                   -2 :              -0.00000052257554
                   -1 :               0.00000660471684
                   +0 :              -0.00000408682810
                   +1 :               0.00001287331958
                   +2 :              -0.00001610692179
              5 vec=    -3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005707474468
                2s
                   +0 :               0.00070132489071
                3s
                   +0 :              -0.00001488669242
                2p
                   -1 :               0.00023168098308
                   +0 :              -0.00032101008022
                   +1 :              -0.00010393623230
                3p
                   -1 :               0.00002772179850
                   +0 :              -0.00006727324982
                   +1 :               0.00009591343364
                3d
                   -2 :              -0.00000072709872
                   -1 :              -0.00003035892850
                   +0 :               0.00003095532665
                   +1 :              -0.00001499811554
                   +2 :              -0.00001844366027
              6 vec=    -3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001845618551
                2s
                   +0 :               0.00009444813476
                3s
                   +0 :              -0.00003432849745
                2p
                   -1 :               0.00010252401873
                   +0 :               0.00031243450148
                   +1 :              -0.00034063635078
                3p
                   -1 :              -0.00016295300889
                   +0 :              -0.00014725230947
                   +1 :               0.00021039197954
                3d
                   -2 :              -0.00000897864460
                   -1 :              -0.00000865586984
                   +0 :              -0.00000599086915
                   +1 :               0.00000510266408
                   +2 :               0.00002004113508
              7 vec=     4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00014085437857
                2s
                   +0 :               0.00163824843055
                3s
                   +0 :              -0.00017611197877
                2p
                   -1 :              -0.00032219240121
                   +0 :              -0.00093828312828
                   +1 :               0.00044095000446
                3p
                   -1 :               0.00008446418620
                   +0 :               0.00012895071569
                   +1 :              -0.00009396957272
                3d
                   -2 :              -0.00002802635299
                   -1 :               0.00002589644473
                   +0 :               0.00003762844501
                   +1 :              -0.00003266829691
                   +2 :               0.00000026859898
              8 vec=     4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005512935139
                2s
                   +0 :               0.00063274732298
                3s
                   +0 :              -0.00010089003204
                2p
                   -1 :              -0.00018890510529
                   +0 :               0.00053655412668
                   +1 :              -0.00008431343162
                3p
                   -1 :               0.00009675029917
                   +0 :              -0.00010575037363
                   +1 :               0.00016127593932
                3d
                   -2 :              -0.00000332451808
                   -1 :              -0.00000004280256
                   +0 :               0.00001386734322
                   +1 :               0.00002281482195
                   +2 :               0.00001390947247
              9 vec=   -10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003346791796
                2s
                   +0 :               0.00028499201156
                3s
                   +0 :              -0.00007576922353
                2p
                   -1 :              -0.00014441466065
                   +0 :              -0.00003309653162
                   +1 :              -0.00017706007216
                3p
                   -1 :               0.00009221837232
                   +0 :               0.00009472113439
                   +1 :               0.00009821087764
                3d
                   -2 :              -0.00000828310471
                   -1 :              -0.00001478179499
                   +0 :              -0.00000638028070
                   +1 :              -0.00000736828218
                   +2 :              -0.00000334801678
             10 vec=   -10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000261030190
                2s
                   +0 :              -0.00014707236069
                3s
                   +0 :              -0.00005485437891
                2p
                   -1 :               0.00011942602751
                   +0 :               0.00012812473815
                   +1 :               0.00001465691163
                3p
                   -1 :              -0.00015222868286
                   +0 :              -0.00028696923760
                   +1 :               0.00008015136417
                3d
                   -2 :               0.00000027832421
                   -1 :              -0.00000866864685
                   +0 :              -0.00002154020480
                   +1 :               0.00000799047248
                   +2 :               0.00000971865796
             11 vec=    -3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000857151799
                2s
                   +0 :               0.00009830438711
                3s
                   +0 :              -0.00000328613198
                2p
                   -1 :              -0.00003714603544
                   +0 :              -0.00003415004089
                   +1 :               0.00005304359027
                3p
                   -1 :               0.00001076947955
                   +0 :               0.00007683185659
                   +1 :              -0.00010103715604
                3d
                   -2 :               0.00001161387369
                   -1 :              -0.00000118673269
                   +0 :              -0.00000062448050
                   +1 :               0.00000905108326
                   +2 :              -0.00000821600473
             12 vec=    -3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001308922128
                2s
                   +0 :              -0.00011598092093
                3s
                   +0 :               0.00002264609157
                2p
                   -1 :               0.00006900272272
                   +0 :              -0.00008947492667
                   +1 :              -0.00007065989437
                3p
                   -1 :              -0.00003549077168
                   +0 :               0.00000815403839
                   +1 :               0.00002411692185
                3d
                   -2 :              -0.00000325170648
                   -1 :               0.00000774403510
                   +0 :               0.00000128274034
                   +1 :              -0.00000453416189
                   +2 :              -0.00000088571113
             13 vec=   -10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000794563516
                2s
                   +0 :              -0.00008899543838
                3s
                   +0 :               0.00001411092729
                2p
                   -1 :               0.00008412481056
                   +0 :               0.00005488412900
                   +1 :              -0.00001592055305
                3p
                   -1 :              -0.00004891655696
                   +0 :               0.00003141343411
                   +1 :               0.00005435546841
                3d
                   -2 :              -0.00000453848498
                   -1 :              -0.00000163729583
                   +0 :              -0.00000411837355
                   +1 :              -0.00000082620156
                   +2 :              -0.00000486273466
             14 vec=   -10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00003254615792
                2s
                   +0 :              -0.00034041741765
                3s
                   +0 :               0.00005224078948
                2p
                   -1 :               0.00001592449237
                   +0 :              -0.00011925872319
                   +1 :               0.00013856582363
                3p
                   -1 :               0.00004192148459
                   +0 :               0.00001834980868
                   +1 :              -0.00002093019174
                3d
                   -2 :              -0.00000867055280
                   -1 :               0.00000023008125
                   +0 :              -0.00000226751330
                   +1 :               0.00000282263676
                   +2 :               0.00000211040810
             15 vec=     4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000164439138
                2s
                   +0 :              -0.00005433472943
                3s
                   +0 :              -0.00001920648112
                2p
                   -1 :               0.00006874360732
                   +0 :              -0.00003541900478
                   +1 :               0.00008642225253
                3p
                   -1 :              -0.00007654762124
                   +0 :              -0.00000853590890
                   +1 :              -0.00000455852402
                3d
                   -2 :              -0.00000129300337
                   -1 :               0.00000387159410
                   +0 :               0.00000038415354
                   +1 :               0.00000310038621
                   +2 :               0.00000896939969
             16 vec=     4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00003741020159
                2s
                   +0 :               0.00030393656426
                3s
                   +0 :              -0.00009671373538
                2p
                   -1 :               0.00005549048424
                   +0 :               0.00012652920428
                   +1 :              -0.00006165587085
                3p
                   -1 :              -0.00001722362816
                   +0 :              -0.00003915153588
                   +1 :               0.00000580050258
                3d
                   -2 :              -0.00000099052135
                   -1 :               0.00000328176778
                   +0 :              -0.00000274363264
                   +1 :              -0.00000684277534
                   +2 :              -0.00000691004974
             17 vec=    12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000590950493
                2s
                   +0 :              -0.00004352524140
                3s
                   +0 :              -0.00004826726242
                2p
                   -1 :               0.00001688848482
                   +0 :              -0.00000924958991
                   +1 :               0.00008897970333
                3p
                   -1 :               0.00004479147653
                   +0 :               0.00000573131133
                   +1 :              -0.00006607572039
                3d
                   -2 :               0.00000434615516
                   -1 :              -0.00000088842353
                   +0 :              -0.00000277703288
                   +1 :               0.00000257980590
                   +2 :               0.00000183497003
             18 vec=    12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001718205384
                2s
                   +0 :               0.00018919049907
                3s
                   +0 :              -0.00003395598790
                2p
                   -1 :              -0.00009996162418
                   +0 :              -0.00001043137494
                   +1 :               0.00004964999948
                3p
                   -1 :               0.00007272565692
                   +0 :               0.00004717145214
                   +1 :              -0.00003066818922
                3d
                   -2 :               0.00000518517533
                   -1 :               0.00000265516349
                   +0 :               0.00000200062485
                   +1 :              -0.00000106190444
                   +2 :              -0.00000685597729
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 18)  npairs=  14
              1 vec=     2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004631606831
                2s
                   +0 :               0.00052969150652
                3s
                   +0 :              -0.00004429906534
                2p
                   -1 :               0.00036377419374
                   +0 :               0.00023690135690
                   +1 :               0.00018439143171
                3p
                   -1 :               0.00000589721998
                   +0 :              -0.00034809466930
                   +1 :              -0.00019844451219
                3d
                   -2 :              -0.00000586041227
                   -1 :              -0.00001843842668
                   +0 :               0.00004270812306
                   +1 :               0.00001944176756
                   +2 :               0.00001954972995
              2 vec=     2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005378991166
                2s
                   +0 :               0.00023363872430
                3s
                   +0 :              -0.00021287698588
                2p
                   -1 :               0.00017146012267
                   +0 :               0.00030381228534
                   +1 :               0.00002284603896
                3p
                   -1 :              -0.00000397083718
                   +0 :              -0.00048182458107
                   +1 :              -0.00012486397979
                3d
                   -2 :               0.00002543303461
                   -1 :               0.00001962642167
                   +0 :              -0.00007533603676
                   +1 :              -0.00001476121485
                   +2 :              -0.00001888057823
              3 vec=    -5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00012910455025
                2s
                   +0 :               0.00119321115270
                3s
                   +0 :              -0.00033648122218
                2p
                   -1 :              -0.00040552099503
                   +0 :              -0.00086289727634
                   +1 :              -0.00037620964427
                3p
                   -1 :               0.00005065956915
                   +0 :               0.00056901221631
                   +1 :               0.00007020606795
                3d
                   -2 :               0.00001528585423
                   -1 :               0.00003463543432
                   +0 :              -0.00003126690955
                   +1 :               0.00001840088730
                   +2 :               0.00002555296519
              4 vec=    -5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00006505845218
                2s
                   +0 :              -0.00076729327602
                3s
                   +0 :               0.00007478961030
                2p
                   -1 :              -0.00049035386685
                   +0 :              -0.00041209100698
                   +1 :              -0.00040335441069
                3p
                   -1 :               0.00014183822697
                   +0 :               0.00010690990192
                   +1 :               0.00020645766458
                3d
                   -2 :              -0.00001100825695
                   -1 :              -0.00001138923172
                   +0 :              -0.00003693156236
                   +1 :              -0.00000521221769
                   +2 :              -0.00001391070574
              5 vec=    -5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00002187957879
                2s
                   +0 :              -0.00001703665997
                3s
                   +0 :              -0.00007407481084
                2p
                   -1 :               0.00001215725759
                   +0 :               0.00005402505789
                   +1 :               0.00005387158135
                3p
                   -1 :              -0.00004560281051
                   +0 :               0.00014152126121
                   +1 :               0.00002443595636
                3d
                   -2 :              -0.00000470279051
                   -1 :               0.00000747343053
                   +0 :              -0.00001569075573
                   +1 :              -0.00002714548498
                   +2 :               0.00000549172248
              6 vec=    -5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00003149638765
                2s
                   +0 :              -0.00041894345270
                3s
                   +0 :              -0.00001543893884
                2p
                   -1 :              -0.00005524722987
                   +0 :              -0.00004230465521
                   +1 :               0.00010693162878
                3p
                   -1 :               0.00008057665305
                   +0 :              -0.00025861434306
                   +1 :               0.00003517297827
                3d
                   -2 :              -0.00001033586496
                   -1 :               0.00001180519519
                   +0 :              -0.00001169472802
                   +1 :               0.00003338621715
                   +2 :              -0.00001666617471
              7 vec=     2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002144880277
                2s
                   +0 :              -0.00020567343110
                3s
                   +0 :               0.00006111942430
                2p
                   -1 :              -0.00036653614580
                   +0 :               0.00046835749638
                   +1 :               0.00055754723855
                3p
                   -1 :               0.00029439174282
                   +0 :              -0.00030953960133
                   +1 :              -0.00032755473658
                3d
                   -2 :              -0.00000527837704
                   -1 :              -0.00001909781588
                   +0 :               0.00000252830016
                   +1 :               0.00000806318049
                   +2 :              -0.00001019820822
              8 vec=     2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00006164062986
                2s
                   +0 :              -0.00050654278193
                3s
                   +0 :               0.00018583281639
                2p
                   -1 :              -0.00032515032374
                   +0 :              -0.00038543492955
                   +1 :              -0.00005188011091
                3p
                   -1 :               0.00018092674366
                   +0 :               0.00015459088583
                   +1 :               0.00002215817916
                3d
                   -2 :               0.00000217396381
                   -1 :               0.00000201661441
                   +0 :               0.00000356973107
                   +1 :               0.00002110058245
                   +2 :              -0.00001106879812
              9 vec=     2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001894414059
                2s
                   +0 :               0.00023896531332
                3s
                   +0 :              -0.00002760890074
                2p
                   -1 :               0.00003960500207
                   +0 :              -0.00011362462037
                   +1 :               0.00005804755464
                3p
                   -1 :              -0.00010367339597
                   +0 :               0.00002422188053
                   +1 :              -0.00006226384586
                3d
                   -2 :               0.00001021088347
                   -1 :               0.00000757886103
                   +0 :               0.00000307861528
                   +1 :               0.00000123796937
                   +2 :               0.00000178060221
             10 vec=     2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000950452354
                2s
                   +0 :               0.00003551255645
                3s
                   +0 :              -0.00003046134555
                2p
                   -1 :               0.00006955984117
                   +0 :               0.00004318369376
                   +1 :              -0.00005919627965
                3p
                   -1 :              -0.00005402807457
                   +0 :               0.00001600537334
                   +1 :               0.00000114886048
                3d
                   -2 :               0.00000284448323
                   -1 :               0.00000008214772
                   +0 :              -0.00000461023181
                   +1 :              -0.00000368576972
                   +2 :               0.00000313701469
             11 vec=    10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00006283010287
                2s
                   +0 :              -0.00062890870792
                3s
                   +0 :               0.00007295905118
                2p
                   -1 :               0.00022414825003
                   +0 :               0.00009711482385
                   +1 :              -0.00014924680948
                3p
                   -1 :              -0.00004943666423
                   +0 :               0.00002504535938
                   +1 :               0.00005511936384
                3d
                   -2 :               0.00000433503638
                   -1 :              -0.00000988176716
                   +0 :               0.00000608932490
                   +1 :               0.00001748574387
                   +2 :              -0.00000727003499
             12 vec=    10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002147399993
                2s
                   +0 :               0.00025696421244
                3s
                   +0 :              -0.00000772003624
                2p
                   -1 :               0.00012609834075
                   +0 :               0.00002962774059
                   +1 :               0.00012665907233
                3p
                   -1 :              -0.00007758050486
                   +0 :               0.00009900712070
                   +1 :              -0.00007097923683
                3d
                   -2 :              -0.00000064903441
                   -1 :              -0.00000999542124
                   +0 :               0.00002593519205
                   +1 :              -0.00000141516581
                   +2 :              -0.00000578977338
             13 vec=    10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002669085478
                2s
                   +0 :               0.00022516363245
                3s
                   +0 :              -0.00005736146499
                2p
                   -1 :              -0.00000573442537
                   +0 :              -0.00006998557299
                   +1 :               0.00016859601841
                3p
                   -1 :               0.00004159913507
                   +0 :               0.00001088019920
                   +1 :              -0.00001591088145
                3d
                   -2 :               0.00000604515501
                   -1 :              -0.00000554051442
                   +0 :               0.00000208890890
                   +1 :               0.00000186797355
                   +2 :               0.00000906619049
             14 vec=    10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000661223906
                2s
                   +0 :               0.00017340643812
                3s
                   +0 :               0.00001821222623
                2p
                   -1 :              -0.00004595984219
                   +0 :               0.00004892139313
                   +1 :               0.00018221752675
                3p
                   -1 :               0.00003000164832
                   +0 :               0.00004839794685
                   +1 :              -0.00006178959014
                3d
                   -2 :               0.00000601656058
                   -1 :              -0.00000331499539
                   +0 :               0.00000463895325
                   +1 :              -0.00000210082161
                   +2 :               0.00000483480603
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 19)  npairs=  15
              1 vec=     2.174555      4.491729      8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00000769209966
                2s
                   +0 :              -0.00058195454927
                3s
                   +0 :              -0.00005248462689
                2p
                   -1 :              -0.00081439273898
                   +0 :              -0.00030016507659
                   +1 :              -0.00446459918029
                3p
                   -1 :              -0.00018794156435
                   +0 :              -0.00101669589702
                   +1 :               0.00288014392028
                3d
                   -2 :              -0.00005605366537
                   -1 :              -0.00011377161039
                   +0 :              -0.00004061593638
                   +1 :               0.00016455677029
                   +2 :              -0.00000038548912
              2 vec=     2.174555     -4.492029      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00057562989967
                2s
                   +0 :               0.00488830811652
                3s
                   +0 :              -0.00129022323812
                2p
                   -1 :              -0.00214991216340
                   +0 :               0.00439258422758
                   +1 :              -0.00125089689389
                3p
                   -1 :              -0.00007656363890
                   +0 :              -0.00124729738277
                   +1 :               0.00026056190974
                3d
                   -2 :               0.00004900738422
                   -1 :              -0.00015957976043
                   +0 :               0.00000402469656
                   +1 :              -0.00003758511067
                   +2 :              -0.00014654487364
              3 vec=    -5.605607     -0.000150      8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00051002205448
                2s
                   +0 :              -0.00424742049873
                3s
                   +0 :               0.00080299609886
                2p
                   -1 :              -0.00238788981327
                   +0 :              -0.00117128233086
                   +1 :               0.00290962594234
                3p
                   -1 :               0.00094094861239
                   +0 :              -0.00096480640598
                   +1 :              -0.00127707748861
                3d
                   -2 :               0.00014014822453
                   -1 :              -0.00014834714353
                   +0 :              -0.00002949879267
                   +1 :              -0.00003480335251
                   +2 :               0.00005819069841
              4 vec=     9.954718     -0.000150      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00018748322907
                2s
                   +0 :               0.00169318058649
                3s
                   +0 :              -0.00051685899189
                2p
                   -1 :               0.00025575174365
                   +0 :               0.00032778866948
                   +1 :               0.00077137700694
                3p
                   -1 :              -0.00006662620044
                   +0 :              -0.00004949084659
                   +1 :              -0.00045854702682
                3d
                   -2 :              -0.00000106286923
                   -1 :               0.00001306920821
                   +0 :               0.00002018043270
                   +1 :              -0.00002493896105
                   +2 :              -0.00004065705056
              5 vec=    -5.605607      8.983608      8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00003671205395
                2s
                   +0 :              -0.00029237749689
                3s
                   +0 :               0.00006985733849
                2p
                   -1 :              -0.00008000837509
                   +0 :               0.00005162745919
                   +1 :               0.00013832123576
                3p
                   -1 :              -0.00007018034427
                   +0 :              -0.00014729746729
                   +1 :              -0.00011799425778
                3d
                   -2 :              -0.00000752868308
                   -1 :              -0.00003816515108
                   +0 :               0.00003834009726
                   +1 :              -0.00004294095529
                   +2 :              -0.00000561938658
              6 vec=    -5.605607     -8.983908      8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00005731000365
                2s
                   +0 :              -0.00080510362443
                3s
                   +0 :               0.00007364141187
                2p
                   -1 :               0.00020827012933
                   +0 :              -0.00028621714983
                   +1 :               0.00031550575529
                3p
                   -1 :               0.00012485629321
                   +0 :               0.00015882057190
                   +1 :              -0.00019158488590
                3d
                   -2 :              -0.00002335633419
                   -1 :               0.00000145033160
                   +0 :               0.00000500178287
                   +1 :              -0.00001000514964
                   +2 :               0.00002416769282
              7 vec=     9.954718      8.983608      8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00000113416011
                2s
                   +0 :               0.00008584234737
                3s
                   +0 :               0.00005288606577
                2p
                   -1 :               0.00001884420740
                   +0 :              -0.00016183575237
                   +1 :              -0.00010341233787
                3p
                   -1 :               0.00004588426611
                   +0 :               0.00016962244747
                   +1 :               0.00017345702041
                3d
                   -2 :              -0.00000213671004
                   -1 :               0.00001631942836
                   +0 :               0.00000580858712
                   +1 :              -0.00000402146381
                   +2 :              -0.00001741307655
              8 vec=     9.954718     -8.983908      8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00003925013243
                2s
                   +0 :               0.00038458091855
                3s
                   +0 :              -0.00008899713746
                2p
                   -1 :              -0.00020506111962
                   +0 :               0.00014931134114
                   +1 :               0.00023283624783
                3p
                   -1 :               0.00007528280694
                   +0 :              -0.00011170817539
                   +1 :              -0.00013278096012
                3d
                   -2 :              -0.00000086000594
                   -1 :               0.00000630775242
                   +0 :              -0.00000856914135
                   +1 :              -0.00000530571803
                   +2 :              -0.00000729652659
              9 vec=     2.174555     13.475487      8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00005181461834
                2s
                   +0 :               0.00040925745429
                3s
                   +0 :              -0.00011104464610
                2p
                   -1 :               0.00020335729970
                   +0 :               0.00005294748078
                   +1 :              -0.00006398762910
                3p
                   -1 :              -0.00009316106410
                   +0 :               0.00006745982417
                   +1 :               0.00005055826827
                3d
                   -2 :               0.00000807229827
                   -1 :               0.00001810237915
                   +0 :              -0.00000051260413
                   +1 :               0.00000154817216
                   +2 :              -0.00000094235928
             10 vec=     2.174555    -13.475787      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00001300339829
                2s
                   +0 :              -0.00011266468399
                3s
                   +0 :               0.00004973829636
                2p
                   -1 :               0.00007994162922
                   +0 :               0.00000887719180
                   +1 :              -0.00013404175559
                3p
                   -1 :              -0.00004239901276
                   +0 :               0.00002944770207
                   +1 :               0.00007389389323
                3d
                   -2 :              -0.00000485882649
                   -1 :              -0.00000313864586
                   +0 :               0.00000053253101
                   +1 :              -0.00000312976848
                   +2 :               0.00000366192458
             11 vec=   -13.385770      4.491729      8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00000322845776
                2s
                   +0 :              -0.00013765008428
                3s
                   +0 :              -0.00004315444307
                2p
                   -1 :              -0.00020453797226
                   +0 :               0.00005489086552
                   +1 :               0.00007615975076
                3p
                   -1 :               0.00011111218933
                   +0 :              -0.00010217942804
                   +1 :               0.00004315487852
                3d
                   -2 :              -0.00000115164976
                   -1 :               0.00000475830239
                   +0 :              -0.00000536840763
                   +1 :               0.00000698929118
                   +2 :               0.00000309357989
             12 vec=   -13.385770     -4.492029      8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00004543682727
                2s
                   +0 :              -0.00043589453513
                3s
                   +0 :               0.00009079851631
                2p
                   -1 :               0.00003017202417
                   +0 :              -0.00016575630424
                   +1 :               0.00035195833790
                3p
                   -1 :               0.00004486352338
                   +0 :               0.00004139933841
                   +1 :              -0.00017060683619
                3d
                   -2 :               0.00000100245110
                   -1 :               0.00000366106762
                   +0 :              -0.00000577883759
                   +1 :              -0.00001288327891
                   +2 :               0.00001011224279
             13 vec=     2.174555      4.491729    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00000051950804
                2s
                   +0 :               0.00003922252361
                3s
                   +0 :              -0.00001148790755
                2p
                   -1 :               0.00001046162153
                   +0 :              -0.00005115633493
                   +1 :               0.00001367239107
                3p
                   -1 :               0.00001670912821
                   +0 :               0.00002832354397
                   +1 :               0.00002906877089
                3d
                   -2 :               0.00000122597941
                   -1 :               0.00000435743055
                   +0 :              -0.00001009632533
                   +1 :              -0.00000203509557
                   +2 :               0.00000386309080
             14 vec=     2.174555     -4.492029    -16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00002978711087
                2s
                   +0 :               0.00024178923675
                3s
                   +0 :              -0.00007172835494
                2p
                   -1 :               0.00004075899429
                   +0 :              -0.00005557449741
                   +1 :              -0.00004159354589
                3p
                   -1 :              -0.00001272776758
                   +0 :               0.00003187308180
                   +1 :               0.00001294793852
                3d
                   -2 :              -0.00000233207771
                   -1 :              -0.00000096660379
                   +0 :              -0.00001032304040
                   +1 :               0.00000547867667
                   +2 :               0.00000369096415
             15 vec=    -5.605607     -0.000150    -16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000982592886
                2s
                   +0 :               0.00018972078998
                3s
                   +0 :               0.00000953209681
                2p
                   -1 :              -0.00010561384857
                   +0 :              -0.00005883205088
                   +1 :              -0.00003986737625
                3p
                   -1 :               0.00002516034545
                   +0 :              -0.00001501434703
                   +1 :               0.00003999895014
                3d
                   -2 :              -0.00000585835590
                   -1 :               0.00001295115686
                   +0 :               0.00000318023589
                   +1 :              -0.00000538626554
                   +2 :              -0.00000521920827
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 20)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00020889212641
                2s
                   +0 :               0.00225087779923
                3s
                   +0 :              -0.00032981628134
                2p
                   -1 :               0.00095423187897
                   +0 :               0.00175156524741
                   +1 :              -0.00024706980993
                3p
                   -1 :               0.00039528795534
                   +0 :              -0.00024828790679
                   +1 :               0.00059164384401
                3d
                   -2 :               0.00004922934617
                   -1 :               0.00007625086807
                   +0 :              -0.00004563550579
                   +1 :               0.00015178463527
                   +2 :              -0.00007171707190
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00012873145701
                2s
                   +0 :               0.00104729420543
                3s
                   +0 :              -0.00025268729522
                2p
                   -1 :               0.00024482032809
                   +0 :              -0.00005274375434
                   +1 :               0.00074564430464
                3p
                   -1 :               0.00014202812358
                   +0 :               0.00037012891722
                   +1 :              -0.00056006600758
                3d
                   -2 :              -0.00001744609778
                   -1 :               0.00016023285470
                   +0 :               0.00004761590280
                   +1 :               0.00005625794499
                   +2 :               0.00003612591104
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00047960634756
                2s
                   +0 :              -0.00402585089454
                3s
                   +0 :               0.00061713349381
                2p
                   -1 :               0.00273809115094
                   +0 :              -0.00290019437453
                   +1 :               0.00034613624470
                3p
                   -1 :              -0.00005556388892
                   +0 :              -0.00023223619727
                   +1 :              -0.00101397229546
                3d
                   -2 :               0.00010803698243
                   -1 :               0.00027774310982
                   +0 :              -0.00007089274356
                   +1 :              -0.00018214716628
                   +2 :               0.00017765234691
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00002460293229
                2s
                   +0 :               0.00052549547509
                3s
                   +0 :              -0.00008270694543
                2p
                   -1 :              -0.00016475785458
                   +0 :               0.00005474378150
                   +1 :               0.00075664117091
                3p
                   -1 :               0.00012656552933
                   +0 :               0.00020822846944
                   +1 :              -0.00054712185472
                3d
                   -2 :              -0.00005093478011
                   -1 :              -0.00002412263890
                   +0 :               0.00002501795868
                   +1 :               0.00001915910093
                   +2 :               0.00003428380207
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001754184977
                2s
                   +0 :               0.00038205631795
                3s
                   +0 :               0.00001780738425
                2p
                   -1 :              -0.00006642200827
                   +0 :              -0.00018967879300
                   +1 :              -0.00020332705465
                3p
                   -1 :              -0.00005696660281
                   +0 :               0.00013583770025
                   +1 :               0.00016758464517
                3d
                   -2 :              -0.00000460479584
                   -1 :              -0.00001889507553
                   +0 :               0.00001270871429
                   +1 :              -0.00001471344835
                   +2 :              -0.00002794777418
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00002245878669
                2s
                   +0 :              -0.00092623199308
                3s
                   +0 :               0.00000048511872
                2p
                   -1 :              -0.00044000355963
                   +0 :              -0.00055447756375
                   +1 :               0.00077660694435
                3p
                   -1 :               0.00025154675138
                   +0 :               0.00040299325822
                   +1 :              -0.00035393535197
                3d
                   -2 :              -0.00002606523153
                   -1 :              -0.00000130240247
                   +0 :               0.00006659575057
                   +1 :              -0.00003080336363
                   +2 :               0.00000188099576
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000352887285
                2s
                   +0 :               0.00009344251454
                3s
                   +0 :               0.00003264545140
                2p
                   -1 :               0.00011784673201
                   +0 :               0.00030515598375
                   +1 :              -0.00017161110155
                3p
                   -1 :              -0.00005252228404
                   +0 :              -0.00023005774190
                   +1 :               0.00023101909477
                3d
                   -2 :              -0.00000350572220
                   -1 :              -0.00001928673466
                   +0 :              -0.00002665655395
                   +1 :               0.00000992535629
                   +2 :               0.00002561651747
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001802184166
                2s
                   +0 :               0.00025749603790
                3s
                   +0 :              -0.00001074223134
                2p
                   -1 :              -0.00008134810990
                   +0 :               0.00021625596054
                   +1 :               0.00009331197632
                3p
                   -1 :               0.00001524155889
                   +0 :              -0.00008197110827
                   +1 :               0.00002544476659
                3d
                   -2 :               0.00000028041238
                   -1 :              -0.00001087546937
                   +0 :               0.00000689324600
                   +1 :               0.00000131546532
                   +2 :               0.00000087509952
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00000253231290
                2s
                   +0 :               0.00004510407369
                3s
                   +0 :               0.00002856435043
                2p
                   -1 :               0.00007066195827
                   +0 :              -0.00006829570785
                   +1 :              -0.00012234240411
                3p
                   -1 :              -0.00006518777474
                   +0 :               0.00006893162602
                   +1 :               0.00004946953419
                3d
                   -2 :               0.00000804469899
                   -1 :               0.00001069760221
                   +0 :               0.00001267112295
                   +1 :               0.00000363196886
                   +2 :              -0.00000027444505
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00003585631579
                2s
                   +0 :              -0.00029629342274
                3s
                   +0 :               0.00009135740171
                2p
                   -1 :              -0.00014966774519
                   +0 :              -0.00011303701587
                   +1 :               0.00011318311454
                3p
                   -1 :               0.00001435281348
                   +0 :               0.00006312260362
                   +1 :              -0.00006933771870
                3d
                   -2 :              -0.00000495615800
                   -1 :              -0.00000424278783
                   +0 :              -0.00001042923821
                   +1 :              -0.00001578297877
                   +2 :              -0.00001917818233
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001780019461
                2s
                   +0 :              -0.00014106208107
                3s
                   +0 :               0.00005605066669
                2p
                   -1 :               0.00007777162779
                   +0 :              -0.00001794033948
                   +1 :               0.00000836656314
                3p
                   -1 :              -0.00006494338177
                   +0 :              -0.00000780461240
                   +1 :              -0.00004014323204
                3d
                   -2 :               0.00000376957873
                   -1 :               0.00000261257309
                   +0 :              -0.00000440873629
                   +1 :               0.00000582598347
                   +2 :               0.00000039412095
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000700633487
                2s
                   +0 :              -0.00017164259056
                3s
                   +0 :              -0.00003448976670
                2p
                   -1 :               0.00010577972034
                   +0 :              -0.00008592967976
                   +1 :               0.00005226331015
                3p
                   -1 :              -0.00003329304950
                   +0 :               0.00003115095578
                   +1 :               0.00002943099465
                3d
                   -2 :              -0.00000458829350
                   -1 :               0.00000121491510
                   +0 :               0.00000518161548
                   +1 :              -0.00000532537357
                   +2 :              -0.00000397680452
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000200998050
                2s
                   +0 :              -0.00000941040779
                3s
                   +0 :              -0.00002410105283
                2p
                   -1 :               0.00011559293663
                   +0 :              -0.00004568099987
                   +1 :               0.00010005457980
                3p
                   -1 :              -0.00007150283865
                   +0 :               0.00006266501903
                   +1 :              -0.00004807661929
                3d
                   -2 :               0.00000495149738
                   -1 :               0.00000197107509
                   +0 :              -0.00000642421998
                   +1 :               0.00000127779427
                   +2 :               0.00000012255741
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000791072205
                2s
                   +0 :               0.00014116567002
                3s
                   +0 :              -0.00000169651053
                2p
                   -1 :               0.00002451283427
                   +0 :              -0.00001515551028
                   +1 :               0.00007779334858
                3p
                   -1 :              -0.00002337586735
                   +0 :              -0.00000979827703
                   +1 :              -0.00004449025018
                3d
                   -2 :               0.00000402312231
                   -1 :               0.00000215657949
                   +0 :              -0.00000260110479
                   +1 :               0.00000313066232
                   +2 :               0.00000424670044
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001159041634
                2s
                   +0 :               0.00016307256930
                3s
                   +0 :               0.00000084173830
                2p
                   -1 :               0.00005564411676
                   +0 :              -0.00001667668374
                   +1 :              -0.00003415347195
                3p
                   -1 :              -0.00002402755903
                   +0 :              -0.00001705142130
                   +1 :              -0.00001259492926
                3d
                   -2 :              -0.00000355999065
                   -1 :              -0.00000842151390
                   +0 :              -0.00000038964842
                   +1 :               0.00000859312911
                   +2 :               0.00000033135304
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 21)  npairs=  14
              1 vec=    -0.209546     -0.362644      8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00034606719801
                2s
                   +0 :              -0.00222317684480
                3s
                   +0 :               0.00070428754232
                2p
                   -1 :               0.00043886075746
                   +0 :              -0.00203078993960
                   +1 :              -0.00422536311264
                3p
                   -1 :              -0.00036994243338
                   +0 :               0.00103646989977
                   +1 :               0.00199372962112
                3d
                   -2 :              -0.00015901889096
                   -1 :               0.00002320268420
                   +0 :              -0.00004785290568
                   +1 :               0.00005261977955
                   +2 :              -0.00004530541565
              2 vec=     7.570617      4.129235      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00010981162110
                2s
                   +0 :              -0.00030246605285
                3s
                   +0 :               0.00034170981703
                2p
                   -1 :               0.00109468567023
                   +0 :              -0.00026950161583
                   +1 :               0.00127399631879
                3p
                   -1 :              -0.00074394418196
                   +0 :               0.00036875106809
                   +1 :              -0.00116077365406
                3d
                   -2 :              -0.00006092526604
                   -1 :               0.00004758173647
                   +0 :               0.00004784574956
                   +1 :              -0.00008414172873
                   +2 :              -0.00008137627705
              3 vec=    -0.209546      8.621114      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00003943860747
                2s
                   +0 :              -0.00027101611945
                3s
                   +0 :               0.00027591145669
                2p
                   -1 :              -0.00044891220183
                   +0 :              -0.00018399861965
                   +1 :               0.00009946354965
                3p
                   -1 :               0.00033415216085
                   +0 :               0.00022094344757
                   +1 :              -0.00052004836713
                3d
                   -2 :              -0.00008148850690
                   -1 :               0.00000563433180
                   +0 :              -0.00001926913821
                   +1 :              -0.00008216824720
                   +2 :               0.00000102502587
              4 vec=     7.570617     -4.854523      8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00019274218248
                2s
                   +0 :               0.00180510123946
                3s
                   +0 :              -0.00038542726493
                2p
                   -1 :              -0.00079543861096
                   +0 :               0.00046300965510
                   +1 :               0.00065910212624
                3p
                   -1 :               0.00023719001890
                   +0 :               0.00002701972370
                   +1 :              -0.00044654579687
                3d
                   -2 :              -0.00000492111034
                   -1 :              -0.00000702587923
                   +0 :               0.00003591016581
                   +1 :              -0.00003338815366
                   +2 :              -0.00001353593229
              5 vec=    -7.989708      4.129235      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00023813109800
                2s
                   +0 :               0.00094754598673
                3s
                   +0 :              -0.00097286753989
                2p
                   -1 :               0.00124792839800
                   +0 :               0.00092630202934
                   +1 :              -0.00011015249529
                3p
                   -1 :              -0.00146409586401
                   +0 :              -0.00085737831257
                   +1 :               0.00034562345727
                3d
                   -2 :               0.00012087927872
                   -1 :              -0.00017476717657
                   +0 :              -0.00006358028488
                   +1 :               0.00010282730530
                   +2 :               0.00004275907580
              6 vec=    -0.209546     -9.346402      8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00007512669525
                2s
                   +0 :              -0.00051536921335
                3s
                   +0 :               0.00021612813172
                2p
                   -1 :              -0.00009929213408
                   +0 :              -0.00029962634175
                   +1 :              -0.00077456099252
                3p
                   -1 :               0.00017144307146
                   +0 :               0.00023558884101
                   +1 :               0.00035067202955
                3d
                   -2 :               0.00000867198675
                   -1 :              -0.00000219247985
                   +0 :               0.00000461371286
                   +1 :               0.00002573957678
                   +2 :               0.00001283862723
              7 vec=    -7.989708     -4.854523      8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00009804331717
                2s
                   +0 :              -0.00124495586449
                3s
                   +0 :               0.00017329573624
                2p
                   -1 :               0.00066754426979
                   +0 :              -0.00072855725387
                   +1 :               0.00034206951482
                3p
                   -1 :              -0.00029344666702
                   +0 :               0.00015816198364
                   +1 :              -0.00003881228508
                3d
                   -2 :               0.00002823864877
                   -1 :              -0.00000741199128
                   +0 :              -0.00004912898367
                   +1 :               0.00002948528663
                   +2 :              -0.00000822132755
              8 vec=    -0.209546     -0.362644    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00002358908960
                2s
                   +0 :               0.00027446614942
                3s
                   +0 :              -0.00005464598125
                2p
                   -1 :              -0.00001193293926
                   +0 :              -0.00015218520603
                   +1 :              -0.00007545725666
                3p
                   -1 :              -0.00000635275704
                   +0 :               0.00008536251258
                   +1 :               0.00004322944338
                3d
                   -2 :               0.00000494416721
                   -1 :               0.00000094793133
                   +0 :              -0.00000424149285
                   +1 :              -0.00000118895261
                   +2 :              -0.00000397863741
              9 vec=     7.570617     13.112993      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00000464440334
                2s
                   +0 :               0.00003882533262
                3s
                   +0 :               0.00006982707820
                2p
                   -1 :               0.00003753231522
                   +0 :               0.00001450710871
                   +1 :               0.00010591694652
                3p
                   -1 :               0.00001826673333
                   +0 :              -0.00000968161493
                   +1 :              -0.00005921334160
                3d
                   -2 :              -0.00000091960611
                   -1 :              -0.00000288266138
                   +0 :              -0.00000447015960
                   +1 :              -0.00000731555079
                   +2 :              -0.00000604776101
             10 vec=    15.350780     -0.362644      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00000524335221
                2s
                   +0 :               0.00013023001158
                3s
                   +0 :               0.00001539448507
                2p
                   -1 :               0.00008788770465
                   +0 :               0.00005352183427
                   +1 :               0.00001522983562
                3p
                   -1 :              -0.00005946321907
                   +0 :               0.00000403134961
                   +1 :               0.00008466739551
                3d
                   -2 :               0.00000088217971
                   -1 :               0.00000289827379
                   +0 :              -0.00000522477337
                   +1 :              -0.00000075872483
                   +2 :               0.00001188125966
             11 vec=    -7.989708     13.112993      8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000072102352
                2s
                   +0 :              -0.00000534230049
                3s
                   +0 :              -0.00000114102349
                2p
                   -1 :              -0.00012768185643
                   +0 :               0.00004407836768
                   +1 :              -0.00011673665232
                3p
                   -1 :               0.00007828966275
                   +0 :              -0.00003864429922
                   +1 :               0.00010260402295
                3d
                   -2 :               0.00001347088081
                   -1 :              -0.00001063302400
                   +0 :               0.00000261535899
                   +1 :               0.00001337640910
                   +2 :              -0.00000828490349
             12 vec=     7.570617    -13.838281      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00002634764228
                2s
                   +0 :               0.00020749817222
                3s
                   +0 :              -0.00005657679332
                2p
                   -1 :              -0.00009273209746
                   +0 :               0.00004053998984
                   +1 :               0.00001451367569
                3p
                   -1 :               0.00001274504167
                   +0 :               0.00000547118381
                   +1 :              -0.00002552539613
                3d
                   -2 :               0.00000040813109
                   -1 :              -0.00000050199096
                   +0 :               0.00000335446904
                   +1 :              -0.00000320468134
                   +2 :              -0.00000027040153
             13 vec=   -15.769871     -0.362644      8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00001585424261
                2s
                   +0 :              -0.00016839624981
                3s
                   +0 :              -0.00001265550858
                2p
                   -1 :               0.00009976671581
                   +0 :               0.00004013666607
                   +1 :               0.00000291379882
                3p
                   -1 :              -0.00009939245000
                   +0 :              -0.00008290711761
                   +1 :               0.00009304583355
                3d
                   -2 :               0.00000875121431
                   -1 :              -0.00000636664305
                   +0 :              -0.00000920510998
                   +1 :               0.00001079922346
                   +2 :              -0.00001177237142
             14 vec=    -7.989708    -13.838281      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00002213493819
                2s
                   +0 :              -0.00021544883276
                3s
                   +0 :               0.00004583171925
                2p
                   -1 :               0.00013443697520
                   +0 :              -0.00006584160237
                   +1 :              -0.00001008742826
                3p
                   -1 :              -0.00003482876856
                   +0 :               0.00003163161855
                   +1 :               0.00001416116139
                3d
                   -2 :              -0.00000002290161
                   -1 :              -0.00000093961832
                   +0 :               0.00000185230452
                   +1 :               0.00000209489214
                   +2 :               0.00000085880136
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 22)  npairs=  14
              1 vec=    -2.593128     -1.739405     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00209729435699
                2s
                   +0 :              -0.03894484959189
                3s
                   +0 :               0.00446796163651
                2p
                   -1 :               0.00869090654756
                   +0 :               0.02265315280104
                   +1 :               0.01316412179685
                3p
                   -1 :               0.00009453000123
                   +0 :              -0.00048864882043
                   +1 :              -0.00691432934641
                3d
                   -2 :              -0.00036090048146
                   -1 :              -0.00167602833892
                   +0 :              -0.00145507469980
                   +1 :              -0.00022598813357
                   +2 :               0.00046043378028
              2 vec=     5.187034      2.752474     -4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00046587796808
                2s
                   +0 :               0.00135721750126
                3s
                   +0 :              -0.00049406636367
                2p
                   -1 :              -0.00104187713521
                   +0 :              -0.00317268705587
                   +1 :              -0.00133432895080
                3p
                   -1 :               0.00313340477611
                   +0 :              -0.00365503676041
                   +1 :              -0.00007070594400
                3d
                   -2 :              -0.00045817829277
                   -1 :              -0.00053021509865
                   +0 :               0.00125301274461
                   +1 :              -0.00034885853453
                   +2 :              -0.00153748390667
              3 vec=    -2.593128      7.244353     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00003072733991
                2s
                   +0 :               0.00119678511782
                3s
                   +0 :               0.00024212613777
                2p
                   -1 :               0.00020468131767
                   +0 :               0.00263705483696
                   +1 :              -0.00129772152634
                3p
                   -1 :               0.00058924967387
                   +0 :              -0.00074977034390
                   +1 :               0.00016265329721
                3d
                   -2 :              -0.00008270716767
                   -1 :               0.00021676987263
                   +0 :              -0.00014506056825
                   +1 :               0.00000291567352
                   +2 :              -0.00001212475435
              4 vec=     5.187034     -6.231284     -4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00028674985225
                2s
                   +0 :               0.00247192249664
                3s
                   +0 :              -0.00058793778174
                2p
                   -1 :              -0.00147735674692
                   +0 :              -0.00105014591790
                   +1 :               0.00122264127188
                3p
                   -1 :               0.00079939215344
                   +0 :               0.00113110341055
                   +1 :              -0.00045980103152
                3d
                   -2 :              -0.00014301198843
                   -1 :              -0.00010514827303
                   +0 :              -0.00000660228755
                   +1 :               0.00006238538369
                   +2 :               0.00006272936701
              5 vec=   -10.373291      2.752474     -4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00003893883417
                2s
                   +0 :              -0.00059557142064
                3s
                   +0 :               0.00021494110260
                2p
                   -1 :              -0.00081298894865
                   +0 :               0.00010947546003
                   +1 :               0.00144455758133
                3p
                   -1 :               0.00055427665273
                   +0 :               0.00023407255924
                   +1 :              -0.00093264662647
                3d
                   -2 :              -0.00008705935276
                   -1 :              -0.00003644291837
                   +0 :              -0.00000048578418
                   +1 :              -0.00003716440874
                   +2 :               0.00000750133325
              6 vec=    -2.593128    -10.723163     -4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00004800555188
                2s
                   +0 :              -0.00005364821731
                3s
                   +0 :               0.00009443171430
                2p
                   -1 :              -0.00016580461968
                   +0 :              -0.00045304750750
                   +1 :              -0.00035272182423
                3p
                   -1 :               0.00009249542437
                   +0 :               0.00055607633071
                   +1 :               0.00001493032667
                3d
                   -2 :              -0.00002303975151
                   -1 :              -0.00002360946612
                   +0 :               0.00004055290876
                   +1 :               0.00004920124960
                   +2 :               0.00002942471539
              7 vec=   -10.373291     -6.231284     -4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00008624587290
                2s
                   +0 :              -0.00094596551328
                3s
                   +0 :               0.00021079297174
                2p
                   -1 :              -0.00010932262205
                   +0 :               0.00011393518323
                   +1 :               0.00049594407460
                3p
                   -1 :               0.00021151368059
                   +0 :               0.00003297414458
                   +1 :              -0.00026363761052
                3d
                   -2 :              -0.00004983053376
                   -1 :               0.00001357575630
                   +0 :              -0.00001823300536
                   +1 :              -0.00002390130454
                   +2 :               0.00002519790127
              8 vec=     5.187034     11.736232     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00006605057200
                2s
                   +0 :              -0.00039984086405
                3s
                   +0 :               0.00021769002768
                2p
                   -1 :              -0.00003443909598
                   +0 :              -0.00026003195752
                   +1 :               0.00042468616445
                3p
                   -1 :              -0.00004934515816
                   +0 :              -0.00002838993222
                   +1 :              -0.00006327797036
                3d
                   -2 :               0.00003088554627
                   -1 :              -0.00003317291449
                   +0 :              -0.00000453221084
                   +1 :               0.00000164139733
                   +2 :               0.00002631119590
              9 vec=    12.967197     -1.739405     -4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00010282067588
                2s
                   +0 :              -0.00061668628101
                3s
                   +0 :               0.00028910221162
                2p
                   -1 :               0.00132765922483
                   +0 :              -0.00056584312958
                   +1 :              -0.00002334603625
                3p
                   -1 :              -0.00066384284270
                   +0 :               0.00019651434736
                   +1 :               0.00018568149545
                3d
                   -2 :              -0.00000695595767
                   -1 :               0.00002663373829
                   +0 :              -0.00000354124058
                   +1 :               0.00000624177037
                   +2 :               0.00003333842664
             10 vec=    12.967197      7.244353     -4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00005324457619
                2s
                   +0 :              -0.00051077515884
                3s
                   +0 :               0.00005474193176
                2p
                   -1 :              -0.00019083409329
                   +0 :              -0.00008050914686
                   +1 :              -0.00028520370606
                3p
                   -1 :              -0.00006224538491
                   +0 :              -0.00010363148423
                   +1 :               0.00007261688154
                3d
                   -2 :              -0.00001330143557
                   -1 :              -0.00002903873155
                   +0 :               0.00005958557944
                   +1 :              -0.00005008802515
                   +2 :               0.00002923952418
             11 vec=   -10.373291     11.736232     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00003147279377
                2s
                   +0 :               0.00036985009324
                3s
                   +0 :              -0.00003034856083
                2p
                   -1 :               0.00013712964676
                   +0 :              -0.00007182321662
                   +1 :              -0.00037296079580
                3p
                   -1 :              -0.00004581795770
                   +0 :               0.00012850921599
                   +1 :               0.00014545155106
                3d
                   -2 :              -0.00001204375057
                   -1 :               0.00000692371937
                   +0 :              -0.00000045344245
                   +1 :              -0.00000258037650
                   +2 :              -0.00000916724152
             12 vec=     5.187034    -15.215042     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00000800838261
                2s
                   +0 :              -0.00002641812166
                3s
                   +0 :               0.00003243734077
                2p
                   -1 :              -0.00005420300541
                   +0 :              -0.00002806919655
                   +1 :              -0.00014530367134
                3p
                   -1 :              -0.00000747192220
                   +0 :               0.00001886550815
                   +1 :               0.00004225918106
                3d
                   -2 :               0.00000101503468
                   -1 :               0.00000067011208
                   +0 :              -0.00000041657973
                   +1 :               0.00000122982975
                   +2 :               0.00000139889459
             13 vec=    -2.593128     16.228111     -4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00001740189231
                2s
                   +0 :               0.00016391559389
                3s
                   +0 :              -0.00004232431368
                2p
                   -1 :               0.00012726313443
                   +0 :               0.00000769526488
                   +1 :               0.00000928637580
                3p
                   -1 :              -0.00009468201237
                   +0 :              -0.00000372398379
                   +1 :               0.00002682848934
                3d
                   -2 :               0.00000742677791
                   -1 :               0.00000081683479
                   +0 :               0.00000040058211
                   +1 :               0.00000066399254
                   +2 :               0.00000402457093
             14 vec=    12.967197    -10.723163     -4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00002132720788
                2s
                   +0 :               0.00018661158430
                3s
                   +0 :              -0.00003285594726
                2p
                   -1 :               0.00000151845030
                   +0 :              -0.00001832931852
                   +1 :              -0.00002608325189
                3p
                   -1 :              -0.00001820669683
                   +0 :              -0.00002255361698
                   +1 :               0.00010095719867
                3d
                   -2 :              -0.00000248756350
                   -1 :              -0.00000136777555
                   +0 :               0.00000052243466
                   +1 :              -0.00000263098344
                   +2 :               0.00000437108236
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 23)  npairs=  14
              1 vec=     2.174037     -1.739405     -4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00222951144002
                2s
                   +0 :               0.03873272401259
                3s
                   +0 :              -0.00451073053495
                2p
                   -1 :              -0.00666525014116
                   +0 :              -0.02079584330503
                   +1 :               0.00298655196373
                3p
                   -1 :               0.00202519848560
                   +0 :               0.00428604552823
                   +1 :              -0.00059264039973
                3d
                   -2 :              -0.00032082701343
                   -1 :               0.00078410506956
                   +0 :               0.00014065866911
                   +1 :               0.00044124087110
                   +2 :              -0.00043999068362
              2 vec=    -5.606126      2.752474     -4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00002491395706
                2s
                   +0 :               0.00005942215613
                3s
                   +0 :              -0.00013629837306
                2p
                   -1 :              -0.00428720208945
                   +0 :              -0.00321999948327
                   +1 :               0.00272263040967
                3p
                   -1 :               0.00262193912010
                   +0 :               0.00484807594414
                   +1 :              -0.00092557772947
                3d
                   -2 :              -0.00029230180745
                   -1 :              -0.00027029764925
                   +0 :              -0.00044136771215
                   +1 :               0.00031812838453
                   +2 :               0.00026705537196
              3 vec=     2.174037      7.244353     -4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00011302725496
                2s
                   +0 :               0.00135362480178
                3s
                   +0 :              -0.00017457925318
                2p
                   -1 :               0.00129801421876
                   +0 :              -0.00360837165053
                   +1 :              -0.00003784701940
                3p
                   -1 :              -0.00090612360163
                   +0 :               0.00131533592614
                   +1 :              -0.00015427715506
                3d
                   -2 :               0.00001046475198
                   -1 :               0.00023187823276
                   +0 :               0.00016658436279
                   +1 :               0.00020040331660
                   +2 :               0.00015787612084
              4 vec=    -5.606126     -6.231284     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00006412439016
                2s
                   +0 :              -0.00029430439256
                3s
                   +0 :              -0.00012725659891
                2p
                   -1 :              -0.00107442193566
                   +0 :               0.00130776519172
                   +1 :              -0.00265802286190
                3p
                   -1 :               0.00102972685691
                   +0 :              -0.00040097905568
                   +1 :               0.00253795144303
                3d
                   -2 :              -0.00002450682901
                   -1 :               0.00009909191896
                   +0 :              -0.00006417103198
                   +1 :              -0.00001371714278
                   +2 :              -0.00008639852884
              5 vec=     9.954199      2.752474     -4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00083558734892
                2s
                   +0 :              -0.00768018183702
                3s
                   +0 :               0.00158565435330
                2p
                   -1 :              -0.00208469321492
                   +0 :              -0.00063409936394
                   +1 :              -0.00239162948235
                3p
                   -1 :               0.00210050200754
                   +0 :              -0.00016997512829
                   +1 :               0.00029211409143
                3d
                   -2 :               0.00016516361705
                   -1 :               0.00003451060134
                   +0 :               0.00025238526838
                   +1 :              -0.00011558855586
                   +2 :              -0.00029157871661
              6 vec=     2.174037    -10.723163     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00006946101160
                2s
                   +0 :               0.00037136117828
                3s
                   +0 :              -0.00023906226656
                2p
                   -1 :              -0.00061141403049
                   +0 :              -0.00048004833319
                   +1 :              -0.00023188901704
                3p
                   -1 :               0.00049147554990
                   +0 :               0.00020099413395
                   +1 :               0.00012226203877
                3d
                   -2 :              -0.00001846101741
                   -1 :              -0.00006453820748
                   +0 :               0.00003703160537
                   +1 :               0.00002149340290
                   +2 :               0.00010245094973
              7 vec=     9.954199     -6.231284     -4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00008252169239
                2s
                   +0 :               0.00111078762055
                3s
                   +0 :              -0.00014511025191
                2p
                   -1 :               0.00004435421554
                   +0 :              -0.00080676342315
                   +1 :               0.00095333840387
                3p
                   -1 :               0.00007576748257
                   +0 :               0.00045492958484
                   +1 :              -0.00051765044570
                3d
                   -2 :               0.00000571800793
                   -1 :              -0.00003230171238
                   +0 :              -0.00000308999757
                   +1 :               0.00002654841112
                   +2 :               0.00002295853162
              8 vec=    -5.606126     11.736232     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00007427695638
                2s
                   +0 :               0.00045380447466
                3s
                   +0 :              -0.00008273916449
                2p
                   -1 :               0.00010165013106
                   +0 :               0.00065895764982
                   +1 :              -0.00019267271935
                3p
                   -1 :               0.00001953904011
                   +0 :              -0.00027671576629
                   +1 :              -0.00005864962432
                3d
                   -2 :              -0.00002277864518
                   -1 :              -0.00001270015530
                   +0 :              -0.00001012209587
                   +1 :               0.00001322775784
                   +2 :              -0.00001194379004
              9 vec=   -13.386289     -1.739405     -4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00006417597688
                2s
                   +0 :              -0.00067972971650
                3s
                   +0 :               0.00012667494238
                2p
                   -1 :               0.00020339549013
                   +0 :               0.00021982490073
                   +1 :               0.00016243535441
                3p
                   -1 :              -0.00002635414497
                   +0 :               0.00005079729723
                   +1 :              -0.00002617854108
                3d
                   -2 :               0.00001933046146
                   -1 :              -0.00001365503611
                   +0 :              -0.00001342354757
                   +1 :               0.00000873421437
                   +2 :               0.00002225879685
             10 vec=   -13.386289      7.244353     -4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00001396091955
                2s
                   +0 :               0.00010273867687
                3s
                   +0 :              -0.00004795425594
                2p
                   -1 :              -0.00004704889504
                   +0 :              -0.00002131881906
                   +1 :               0.00001070276186
                3p
                   -1 :              -0.00003831965290
                   +0 :               0.00009552973629
                   +1 :              -0.00002059932149
                3d
                   -2 :               0.00002648937745
                   -1 :              -0.00000596986367
                   +0 :              -0.00000341132191
                   +1 :              -0.00000104731006
                   +2 :               0.00001171441129
             11 vec=     9.954199     11.736232     -4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00009156497817
                2s
                   +0 :              -0.00091176593525
                3s
                   +0 :               0.00019848575804
                2p
                   -1 :              -0.00056308010241
                   +0 :              -0.00009168224985
                   +1 :              -0.00041591484848
                3p
                   -1 :               0.00020300493091
                   +0 :               0.00002057364305
                   +1 :               0.00023511541853
                3d
                   -2 :              -0.00000605325628
                   -1 :               0.00001343306492
                   +0 :              -0.00000179146927
                   +1 :               0.00000962700024
                   +2 :               0.00000798628274
             12 vec=    -5.606126    -15.215042     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00002376158362
                2s
                   +0 :               0.00022031933491
                3s
                   +0 :              -0.00002178103150
                2p
                   -1 :              -0.00029951301953
                   +0 :              -0.00003183965570
                   +1 :              -0.00008721702128
                3p
                   -1 :               0.00006039455307
                   +0 :               0.00010209862920
                   +1 :               0.00000695281451
                3d
                   -2 :               0.00001283032394
                   -1 :              -0.00001254377296
                   +0 :              -0.00001640168730
                   +1 :               0.00001068712893
                   +2 :              -0.00001528286829
             13 vec=     2.174037     16.228111     -4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00000941961223
                2s
                   +0 :               0.00006659941086
                3s
                   +0 :              -0.00001902358480
                2p
                   -1 :               0.00001118431439
                   +0 :               0.00007693693426
                   +1 :               0.00013192614393
                3p
                   -1 :               0.00000279978653
                   +0 :              -0.00007119270120
                   +1 :              -0.00003674128410
                3d
                   -2 :              -0.00000124902179
                   -1 :              -0.00000624067893
                   +0 :              -0.00000179327932
                   +1 :              -0.00000297031668
                   +2 :              -0.00000321072041
             14 vec=   -13.386289    -10.723163     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00002168481242
                2s
                   +0 :              -0.00016768860081
                3s
                   +0 :               0.00005042219610
                2p
                   -1 :               0.00005181999970
                   +0 :               0.00003128398557
                   +1 :               0.00004458918112
                3p
                   -1 :              -0.00001735558706
                   +0 :               0.00001546393923
                   +1 :              -0.00001081595369
                3d
                   -2 :               0.00000567733075
                   -1 :               0.00000434464790
                   +0 :              -0.00000212484022
                   +1 :              -0.00000295816719
                   +2 :              -0.00000493761155
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 24)  npairs=  14
              1 vec=    -0.209546      3.115867     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00036048844711
                2s
                   +0 :              -0.00509929996312
                3s
                   +0 :               0.00116615090441
                2p
                   -1 :              -0.00306162446148
                   +0 :              -0.00128164244008
                   +1 :              -0.00508508263332
                3p
                   -1 :              -0.00013675394211
                   +0 :               0.00474004383062
                   +1 :               0.00143305313482
                3d
                   -2 :              -0.00143552293825
                   -1 :              -0.00054206021845
                   +0 :              -0.00072588422055
                   +1 :               0.00224275280630
                   +2 :              -0.00040614786819
              2 vec=    -0.209546     -5.867891     -4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00017425630817
                2s
                   +0 :               0.00168191045428
                3s
                   +0 :               0.00004138631625
                2p
                   -1 :               0.00181951804591
                   +0 :               0.00260341494774
                   +1 :               0.00430682880911
                3p
                   -1 :              -0.00184428409649
                   +0 :              -0.00165982747463
                   +1 :              -0.00470244958853
                3d
                   -2 :               0.00014689350551
                   -1 :              -0.00010985818216
                   +0 :              -0.00006747052788
                   +1 :               0.00024687277274
                   +2 :              -0.00019658190248
              3 vec=     7.570617     -1.376012     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00021871531957
                2s
                   +0 :               0.00127454801526
                3s
                   +0 :              -0.00044450629943
                2p
                   -1 :               0.00043948634539
                   +0 :              -0.00514260640411
                   +1 :               0.00352321056848
                3p
                   -1 :              -0.00088620296003
                   +0 :               0.00114244709721
                   +1 :              -0.00127403368500
                3d
                   -2 :               0.00005111094727
                   -1 :               0.00004483481220
                   +0 :               0.00016652717376
                   +1 :               0.00001949326134
                   +2 :               0.00002106292848
              4 vec=    -7.989708     -1.376012     -4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00033537786254
                2s
                   +0 :              -0.00249181077841
                3s
                   +0 :               0.00048933207997
                2p
                   -1 :               0.00161025724331
                   +0 :               0.00305210650283
                   +1 :               0.00004375116315
                3p
                   -1 :              -0.00091737555300
                   +0 :              -0.00035001290452
                   +1 :               0.00037220335784
                3d
                   -2 :              -0.00009150466872
                   -1 :              -0.00016465709610
                   +0 :              -0.00003987167096
                   +1 :              -0.00016772489175
                   +2 :              -0.00011640302572
              5 vec=     7.570617      7.607746     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00043112240620
                2s
                   +0 :              -0.00351030776244
                3s
                   +0 :               0.00088743674375
                2p
                   -1 :              -0.00053365235510
                   +0 :              -0.00044763310422
                   +1 :              -0.00043127164679
                3p
                   -1 :              -0.00038732424965
                   +0 :               0.00005681892370
                   +1 :               0.00049662763412
                3d
                   -2 :              -0.00008273676495
                   -1 :              -0.00001830877187
                   +0 :               0.00014061216898
                   +1 :               0.00008012550954
                   +2 :               0.00014590993444
              6 vec=    -7.989708      7.607746     -4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00015929834510
                2s
                   +0 :               0.00141330754631
                3s
                   +0 :              -0.00059957258474
                2p
                   -1 :               0.00123680426454
                   +0 :              -0.00038288985009
                   +1 :              -0.00129333377011
                3p
                   -1 :              -0.00060329055397
                   +0 :               0.00076442530533
                   +1 :               0.00095103129109
                3d
                   -2 :               0.00003446661084
                   -1 :               0.00006424080024
                   +0 :              -0.00002942264903
                   +1 :              -0.00022155176282
                   +2 :              -0.00009153596850
              7 vec=    -0.209546     12.099625     -4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00007570083305
                2s
                   +0 :               0.00067781425097
                3s
                   +0 :              -0.00012581301888
                2p
                   -1 :              -0.00014775461299
                   +0 :              -0.00001139405935
                   +1 :               0.00046727416564
                3p
                   -1 :               0.00024797028801
                   +0 :              -0.00015135387505
                   +1 :              -0.00007429680609
                3d
                   -2 :               0.00002127794646
                   -1 :              -0.00000600386302
                   +0 :               0.00002805849226
                   +1 :              -0.00004139219690
                   +2 :              -0.00000461907917
              8 vec=     7.570617    -10.359770     -4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00003494429510
                2s
                   +0 :               0.00067042740658
                3s
                   +0 :               0.00002792132231
                2p
                   -1 :              -0.00031044043242
                   +0 :              -0.00015742494616
                   +1 :               0.00032417683513
                3p
                   -1 :              -0.00007606169745
                   +0 :              -0.00004244003060
                   +1 :              -0.00002882473228
                3d
                   -2 :              -0.00002618454028
                   -1 :              -0.00000759110098
                   +0 :               0.00001056544388
                   +1 :              -0.00001312244813
                   +2 :              -0.00001457022284
              9 vec=    -7.989708    -10.359770     -4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00007469198606
                2s
                   +0 :              -0.00066424784590
                3s
                   +0 :               0.00020756260501
                2p
                   -1 :               0.00054262024601
                   +0 :               0.00010495007181
                   +1 :               0.00023208330661
                3p
                   -1 :              -0.00052825457922
                   +0 :               0.00002143987890
                   +1 :              -0.00016499997070
                3d
                   -2 :               0.00001565216993
                   -1 :               0.00001392480173
                   +0 :              -0.00002072488201
                   +1 :               0.00000788133054
                   +2 :              -0.00005726964858
             10 vec=    -0.209546    -14.851649     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00002285394686
                2s
                   +0 :              -0.00015196878556
                3s
                   +0 :               0.00004856145410
                2p
                   -1 :               0.00015552070436
                   +0 :              -0.00014271808129
                   +1 :              -0.00008225287888
                3p
                   -1 :              -0.00007214528582
                   +0 :               0.00014479223148
                   +1 :               0.00009995747861
                3d
                   -2 :              -0.00001212210443
                   -1 :              -0.00000882266274
                   +0 :               0.00000510437956
                   +1 :               0.00000563517164
                   +2 :              -0.00000399924912
             11 vec=    15.350780      3.115867     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00010730061953
                2s
                   +0 :              -0.00121332319563
                3s
                   +0 :               0.00012192957211
                2p
                   -1 :              -0.00032429337703
                   +0 :              -0.00009036105050
                   +1 :              -0.00105368018868
                3p
                   -1 :               0.00023079707772
                   +0 :              -0.00002843803160
                   +1 :               0.00015728057015
                3d
                   -2 :              -0.00001267452211
                   -1 :              -0.00001782721587
                   +0 :               0.00000336373949
                   +1 :               0.00001703608502
                   +2 :              -0.00005977770230
             12 vec=   -15.769871      3.115867     -4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00001762611665
                2s
                   +0 :              -0.00007969918613
                3s
                   +0 :               0.00012390697901
                2p
                   -1 :               0.00001625755202
                   +0 :               0.00009893590085
                   +1 :              -0.00007106851302
                3p
                   -1 :              -0.00000344227836
                   +0 :               0.00008115380718
                   +1 :              -0.00008385609992
                3d
                   -2 :              -0.00004470389552
                   -1 :              -0.00001402741818
                   +0 :              -0.00002632927973
                   +1 :               0.00001764924494
                   +2 :               0.00002397205907
             13 vec=    15.350780     -5.867891     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00001233132611
                2s
                   +0 :               0.00001228617081
                3s
                   +0 :              -0.00001812180264
                2p
                   -1 :               0.00019709362466
                   +0 :               0.00004670754989
                   +1 :              -0.00000484638322
                3p
                   -1 :              -0.00008801299035
                   +0 :              -0.00003677319451
                   +1 :               0.00006775272175
                3d
                   -2 :               0.00000676270506
                   -1 :               0.00000205829945
                   +0 :              -0.00000293206830
                   +1 :              -0.00000080180163
                   +2 :               0.00001371631447
             14 vec=   -15.769871     -5.867891     -4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00001912444996
                2s
                   +0 :              -0.00016405074828
                3s
                   +0 :               0.00004459779215
                2p
                   -1 :               0.00008502251725
                   +0 :               0.00004390316912
                   +1 :               0.00006025312712
                3p
                   -1 :              -0.00003953977005
                   +0 :              -0.00002795881604
                   +1 :              -0.00000705428344
                3d
                   -2 :              -0.00000342364093
                   -1 :               0.00000314413364
                   +0 :               0.00000421413556
                   +1 :               0.00000060453979
                   +2 :              -0.00000524896673
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 25)  npairs=  14
              1 vec=    -0.419351      0.000150     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00008091052543
                2s
                   +0 :              -0.00007473967446
                3s
                   +0 :               0.00008271287672
                2p
                   -1 :              -0.00100085708224
                   +0 :               0.00025156837390
                   +1 :              -0.00026362975556
                3p
                   -1 :               0.00084335556779
                   +0 :               0.00005464441236
                   +1 :              -0.00043227317917
                3d
                   -2 :              -0.00003416840307
                   -1 :              -0.00005760257441
                   +0 :               0.00014503509238
                   +1 :               0.00000047856802
                   +2 :              -0.00010984869589
              2 vec=     7.360812     -4.491729     -8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00005816889415
                2s
                   +0 :               0.00022465523076
                3s
                   +0 :               0.00032458951393
                2p
                   -1 :               0.00009596324993
                   +0 :              -0.00032784131039
                   +1 :              -0.00060470766191
                3p
                   -1 :              -0.00020200573728
                   +0 :              -0.00011805542594
                   +1 :               0.00069800583808
                3d
                   -2 :              -0.00001673570530
                   -1 :               0.00001993231505
                   +0 :              -0.00001958366402
                   +1 :               0.00000194950205
                   +2 :               0.00002764183799
              3 vec=     7.360812      4.492029     -8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00008598238155
                2s
                   +0 :              -0.00157543696554
                3s
                   +0 :              -0.00015279746925
                2p
                   -1 :               0.00140659120090
                   +0 :              -0.00026060248163
                   +1 :               0.00093782042922
                3p
                   -1 :              -0.00106325340261
                   +0 :               0.00059139110484
                   +1 :              -0.00013936527521
                3d
                   -2 :              -0.00001140514560
                   -1 :               0.00007121250383
                   +0 :              -0.00018766605526
                   +1 :               0.00002418395351
                   +2 :               0.00007500265137
              4 vec=    -0.419351     -8.983608     -8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00011424724878
                2s
                   +0 :               0.00085175120937
                3s
                   +0 :              -0.00037411163189
                2p
                   -1 :              -0.00048393331421
                   +0 :              -0.00029146739184
                   +1 :              -0.00070220098679
                3p
                   -1 :               0.00043417452695
                   +0 :               0.00018670079717
                   +1 :               0.00028996072506
                3d
                   -2 :               0.00003969247472
                   -1 :              -0.00006535942317
                   +0 :               0.00000296350006
                   +1 :              -0.00002444421864
                   +2 :               0.00006788068465
              5 vec=    -0.419351      8.983908     -8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00003012707228
                2s
                   +0 :               0.00039227451746
                3s
                   +0 :               0.00011038350326
                2p
                   -1 :               0.00072395942122
                   +0 :              -0.00018804492923
                   +1 :              -0.00014101271011
                3p
                   -1 :              -0.00033782865818
                   +0 :               0.00008496453719
                   +1 :              -0.00004591566901
                3d
                   -2 :              -0.00005226195656
                   -1 :              -0.00002694541892
                   +0 :              -0.00002354320380
                   +1 :               0.00002690427256
                   +2 :              -0.00006721569326
              6 vec=    -8.199513     -4.491729     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00005855594470
                2s
                   +0 :              -0.00069692336076
                3s
                   +0 :               0.00013678134803
                2p
                   -1 :               0.00033381866418
                   +0 :               0.00066154953136
                   +1 :               0.00048577082373
                3p
                   -1 :              -0.00007284971720
                   +0 :              -0.00006756617251
                   +1 :              -0.00029594529831
                3d
                   -2 :               0.00002252336486
                   -1 :              -0.00006078532256
                   +0 :              -0.00001781909334
                   +1 :              -0.00000831284107
                   +2 :               0.00000544347175
              7 vec=    -8.199513      4.492029     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00002662816507
                2s
                   +0 :               0.00014329876433
                3s
                   +0 :              -0.00001435282240
                2p
                   -1 :              -0.00108727111149
                   +0 :               0.00122008477039
                   +1 :               0.00041990676059
                3p
                   -1 :               0.00073593192466
                   +0 :              -0.00086572537443
                   +1 :              -0.00057327919757
                3d
                   -2 :              -0.00003189313550
                   -1 :              -0.00003135529006
                   +0 :              -0.00000154706500
                   +1 :               0.00002883124319
                   +2 :               0.00000400258208
              8 vec=    -0.419351      0.000150     16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000641498007
                2s
                   +0 :               0.00004835259153
                3s
                   +0 :              -0.00002953469806
                2p
                   -1 :              -0.00002220458306
                   +0 :               0.00005208947462
                   +1 :               0.00002470871240
                3p
                   -1 :               0.00001901432607
                   +0 :              -0.00005729263218
                   +1 :              -0.00004254290219
                3d
                   -2 :              -0.00000198574620
                   -1 :               0.00000095331714
                   +0 :              -0.00000152108055
                   +1 :              -0.00000819910600
                   +2 :               0.00000030554414
              9 vec=    15.140975      0.000150     -8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00001579150570
                2s
                   +0 :              -0.00026694171731
                3s
                   +0 :               0.00001508926115
                2p
                   -1 :               0.00011086415100
                   +0 :               0.00001954983577
                   +1 :              -0.00007451859775
                3p
                   -1 :               0.00002664817289
                   +0 :               0.00002484111002
                   +1 :               0.00001916957905
                3d
                   -2 :               0.00000600594562
                   -1 :              -0.00001977262513
                   +0 :               0.00001682665695
                   +1 :              -0.00000264660596
                   +2 :               0.00000274810367
             10 vec=     7.360812    -13.475487     -8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00003760249507
                2s
                   +0 :               0.00033437683969
                3s
                   +0 :              -0.00008088749607
                2p
                   -1 :              -0.00019580277992
                   +0 :              -0.00009872369592
                   +1 :               0.00003851629693
                3p
                   -1 :               0.00006994035211
                   +0 :               0.00002792180755
                   +1 :              -0.00002298009462
                3d
                   -2 :               0.00000008068088
                   -1 :              -0.00000154616752
                   +0 :               0.00000030205678
                   +1 :               0.00000643971450
                   +2 :               0.00000053747957
             11 vec=     7.360812     13.475787     -8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00002455448136
                2s
                   +0 :              -0.00021460910887
                3s
                   +0 :               0.00005627255436
                2p
                   -1 :              -0.00011854111731
                   +0 :              -0.00002178926780
                   +1 :               0.00014291777882
                3p
                   -1 :               0.00005082005151
                   +0 :               0.00000010373191
                   +1 :              -0.00006798720839
                3d
                   -2 :              -0.00000495003366
                   -1 :              -0.00000418323121
                   +0 :               0.00000880542483
                   +1 :              -0.00000253391783
                   +2 :               0.00000267696101
             12 vec=    -8.199513    -13.475487     -8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000402670210
                2s
                   +0 :               0.00002266223960
                3s
                   +0 :              -0.00001199082400
                2p
                   -1 :              -0.00006311619214
                   +0 :               0.00003156364405
                   +1 :               0.00007009068529
                3p
                   -1 :               0.00008528462576
                   +0 :              -0.00002826468601
                   +1 :              -0.00006515849001
                3d
                   -2 :              -0.00000085756204
                   -1 :              -0.00000130181806
                   +0 :              -0.00000629788291
                   +1 :               0.00000641483858
                   +2 :               0.00000346857355
             13 vec=    -8.199513     13.475787     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00003219590660
                2s
                   +0 :               0.00029604614977
                3s
                   +0 :              -0.00007293348551
                2p
                   -1 :               0.00008094657772
                   +0 :              -0.00004227834646
                   +1 :              -0.00009002283433
                3p
                   -1 :              -0.00004139924815
                   +0 :               0.00003542785016
                   +1 :               0.00006840422178
                3d
                   -2 :               0.00000847357852
                   -1 :               0.00000419932454
                   +0 :               0.00000072889420
                   +1 :              -0.00000458908680
                   +2 :               0.00000153701443
             14 vec=   -15.979676      0.000150     -8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00001140070633
                2s
                   +0 :              -0.00008761563250
                3s
                   +0 :               0.00004006066627
                2p
                   -1 :              -0.00007948989553
                   +0 :               0.00006859159916
                   +1 :               0.00007850855535
                3p
                   -1 :               0.00003350714596
                   +0 :              -0.00003729926808
                   +1 :              -0.00002380389512
                3d
                   -2 :               0.00000287394658
                   -1 :               0.00000129423435
                   +0 :               0.00000103262241
                   +1 :               0.00000205694243
                   +2 :               0.00000258876903
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 26)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00012986590177
                2s
                   +0 :              -0.00113361127677
                3s
                   +0 :               0.00003061182372
                2p
                   -1 :              -0.00111250922780
                   +0 :               0.00184146238937
                   +1 :              -0.00126656043841
                3p
                   -1 :              -0.00015393850123
                   +0 :              -0.00045677209577
                   +1 :               0.00156092660717
                3d
                   -2 :               0.00003007450980
                   -1 :               0.00015342303129
                   +0 :               0.00004589991891
                   +1 :              -0.00016082884974
                   +2 :              -0.00012019421642
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00039888881982
                2s
                   +0 :               0.00477690134795
                3s
                   +0 :              -0.00024182876991
                2p
                   -1 :              -0.00142700513143
                   +0 :              -0.00308845651174
                   +1 :               0.00054048139165
                3p
                   -1 :              -0.00022966110690
                   +0 :               0.00002505296964
                   +1 :              -0.00022576252892
                3d
                   -2 :              -0.00003002112893
                   -1 :               0.00019417687558
                   +0 :               0.00019503811665
                   +1 :              -0.00008310374323
                   +2 :              -0.00001758254504
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00020728666738
                2s
                   +0 :              -0.00099854390931
                3s
                   +0 :               0.00040324136296
                2p
                   -1 :              -0.00041156084970
                   +0 :              -0.00014713294225
                   +1 :              -0.00143409782122
                3p
                   -1 :              -0.00072488191129
                   +0 :               0.00083550901711
                   +1 :               0.00097101296059
                3d
                   -2 :              -0.00000514126404
                   -1 :               0.00011577914305
                   +0 :              -0.00015373074963
                   +1 :              -0.00011835876269
                   +2 :               0.00012436049089
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00002711078636
                2s
                   +0 :              -0.00045014717944
                3s
                   +0 :               0.00008478637198
                2p
                   -1 :               0.00033445669476
                   +0 :               0.00043856039140
                   +1 :               0.00022543629107
                3p
                   -1 :              -0.00007359794835
                   +0 :              -0.00044892883089
                   +1 :              -0.00018692950060
                3d
                   -2 :              -0.00002818210049
                   -1 :              -0.00000602365045
                   +0 :               0.00002595185977
                   +1 :               0.00002810666687
                   +2 :               0.00002011559932
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000461690798
                2s
                   +0 :               0.00023230934890
                3s
                   +0 :               0.00011725018768
                2p
                   -1 :              -0.00017966009059
                   +0 :               0.00004051912347
                   +1 :              -0.00002912842684
                3p
                   -1 :               0.00032470526605
                   +0 :              -0.00000675586784
                   +1 :              -0.00002254350165
                3d
                   -2 :              -0.00001799432332
                   -1 :               0.00001494694726
                   +0 :              -0.00000861273862
                   +1 :               0.00001393805084
                   +2 :              -0.00000212226793
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00005509785629
                2s
                   +0 :              -0.00039513831902
                3s
                   +0 :               0.00006336841431
                2p
                   -1 :               0.00049981374632
                   +0 :               0.00050252324743
                   +1 :              -0.00002742312800
                3p
                   -1 :              -0.00000739670849
                   +0 :              -0.00046889369262
                   +1 :               0.00008450363426
                3d
                   -2 :               0.00003037429238
                   -1 :              -0.00002599223868
                   +0 :               0.00008741575171
                   +1 :              -0.00003272001740
                   +2 :              -0.00001418233750
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000103242931
                2s
                   +0 :              -0.00007407228191
                3s
                   +0 :              -0.00001864143674
                2p
                   -1 :               0.00006284892763
                   +0 :               0.00008070184320
                   +1 :              -0.00006422522776
                3p
                   -1 :              -0.00001459762662
                   +0 :               0.00001716262840
                   +1 :               0.00007688679860
                3d
                   -2 :               0.00000281431948
                   -1 :              -0.00000029048102
                   +0 :               0.00000098904725
                   +1 :              -0.00000561800853
                   +2 :              -0.00000282690707
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00003476502204
                2s
                   +0 :               0.00026698571960
                3s
                   +0 :              -0.00009499928763
                2p
                   -1 :              -0.00011147526312
                   +0 :               0.00023713957732
                   +1 :              -0.00040277481618
                3p
                   -1 :               0.00006807329935
                   +0 :              -0.00013402606515
                   +1 :               0.00032280439889
                3d
                   -2 :              -0.00001151785554
                   -1 :               0.00000606604341
                   +0 :              -0.00000525484492
                   +1 :               0.00000103058195
                   +2 :              -0.00001345097703
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001595334630
                2s
                   +0 :              -0.00005959294250
                3s
                   +0 :               0.00006693347372
                2p
                   -1 :              -0.00007581255003
                   +0 :               0.00011990454531
                   +1 :              -0.00013531320597
                3p
                   -1 :               0.00003013470797
                   +0 :              -0.00008664764524
                   +1 :               0.00006766060089
                3d
                   -2 :               0.00000097883102
                   -1 :               0.00000475383841
                   +0 :              -0.00000415445654
                   +1 :               0.00000608005794
                   +2 :               0.00000562517743
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00002810451638
                2s
                   +0 :               0.00023929546759
                3s
                   +0 :              -0.00002425392969
                2p
                   -1 :              -0.00005467066540
                   +0 :              -0.00002530655233
                   +1 :               0.00032297210519
                3p
                   -1 :               0.00000623149604
                   +0 :              -0.00003378206645
                   +1 :              -0.00017905580545
                3d
                   -2 :               0.00000875356786
                   -1 :               0.00000386458237
                   +0 :               0.00000480430604
                   +1 :               0.00000074747074
                   +2 :               0.00000057786814
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000201238677
                2s
                   +0 :              -0.00000127237065
                3s
                   +0 :              -0.00000103750126
                2p
                   -1 :              -0.00012558825202
                   +0 :              -0.00014632289744
                   +1 :               0.00010626640253
                3p
                   -1 :               0.00009996006346
                   +0 :               0.00007673719239
                   +1 :              -0.00000094509339
                3d
                   -2 :               0.00000963567234
                   -1 :               0.00000033324224
                   +0 :               0.00000202443292
                   +1 :               0.00000826466905
                   +2 :               0.00000801613117
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00010080792892
                2s
                   +0 :              -0.00086045471346
                3s
                   +0 :               0.00021714384083
                2p
                   -1 :              -0.00007596872941
                   +0 :              -0.00009604432165
                   +1 :              -0.00009806312247
                3p
                   -1 :              -0.00001272938443
                   +0 :               0.00009560452359
                   +1 :               0.00000783448768
                3d
                   -2 :               0.00000853591993
                   -1 :               0.00000088718876
                   +0 :              -0.00000073605406
                   +1 :              -0.00000399962952
                   +2 :              -0.00000929730478
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000282447300
                2s
                   +0 :              -0.00005205738717
                3s
                   +0 :              -0.00000530735759
                2p
                   -1 :               0.00001200527888
                   +0 :              -0.00003495538228
                   +1 :               0.00000984666941
                3p
                   -1 :              -0.00000418153641
                   +0 :              -0.00003495074715
                   +1 :              -0.00002434922405
                3d
                   -2 :              -0.00000253997134
                   -1 :               0.00000229176984
                   +0 :              -0.00000132727124
                   +1 :               0.00000101876435
                   +2 :              -0.00000085132225
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001903415751
                2s
                   +0 :              -0.00013291553047
                3s
                   +0 :               0.00004613565272
                2p
                   -1 :               0.00000317458539
                   +0 :              -0.00007620709608
                   +1 :              -0.00000639256875
                3p
                   -1 :               0.00002273373593
                   +0 :               0.00002315811532
                   +1 :              -0.00002981761476
                3d
                   -2 :               0.00000203267414
                   -1 :               0.00000278999848
                   +0 :              -0.00000336104538
                   +1 :              -0.00000301408415
                   +2 :               0.00000020052211
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000613307747
                2s
                   +0 :               0.00007324047896
                3s
                   +0 :              -0.00000764172075
                2p
                   -1 :              -0.00000051853084
                   +0 :               0.00005299434007
                   +1 :              -0.00008719747946
                3p
                   -1 :               0.00002161782857
                   +0 :               0.00000652963527
                   +1 :               0.00002821284067
                3d
                   -2 :              -0.00000357101481
                   -1 :               0.00000575220837
                   +0 :               0.00000953824440
                   +1 :              -0.00000121421005
                   +2 :               0.00000034481007
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 27)  npairs=  15
              1 vec=    -2.802933      4.128636     -8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00055537224614
                2s
                   +0 :               0.00536029945219
                3s
                   +0 :              -0.00105018369991
                2p
                   -1 :               0.00115962946319
                   +0 :              -0.00144504414026
                   +1 :               0.00011520145995
                3p
                   -1 :              -0.00072512197604
                   +0 :              -0.00000907571322
                   +1 :              -0.00084070423847
                3d
                   -2 :              -0.00012152654401
                   -1 :              -0.00000961004892
                   +0 :               0.00024513039875
                   +1 :               0.00012951152205
                   +2 :               0.00020039046501
              2 vec=     4.977229     -0.363243     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00003258435612
                2s
                   +0 :               0.00007143918376
                3s
                   +0 :               0.00008735125109
                2p
                   -1 :              -0.00077604757085
                   +0 :              -0.00190592559891
                   +1 :              -0.00067569529264
                3p
                   -1 :               0.00161205429753
                   +0 :               0.00122479448696
                   +1 :               0.00063037375992
                3d
                   -2 :               0.00002639546836
                   -1 :              -0.00008386610537
                   +0 :              -0.00009502699377
                   +1 :               0.00003034688617
                   +2 :              -0.00002590771524
              3 vec=    -2.802933     -4.855122     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00018323966087
                2s
                   +0 :              -0.00181051097766
                3s
                   +0 :               0.00013944769606
                2p
                   -1 :               0.00286192678135
                   +0 :               0.00138792523155
                   +1 :               0.00032283393221
                3p
                   -1 :              -0.00112370311105
                   +0 :               0.00023676099952
                   +1 :              -0.00063512364426
                3d
                   -2 :               0.00002859175855
                   -1 :              -0.00001075624469
                   +0 :              -0.00014579607943
                   +1 :               0.00007953520762
                   +2 :               0.00007122091099
              4 vec=     4.977229      8.620515     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00002818794927
                2s
                   +0 :              -0.00030129715595
                3s
                   +0 :               0.00000216746568
                2p
                   -1 :              -0.00072806820650
                   +0 :              -0.00078910642105
                   +1 :               0.00044597079185
                3p
                   -1 :               0.00043293960495
                   +0 :               0.00033351893475
                   +1 :              -0.00014275039291
                3d
                   -2 :              -0.00001665735559
                   -1 :               0.00002443055872
                   +0 :               0.00005713397882
                   +1 :               0.00002950698720
                   +2 :              -0.00000702949102
              5 vec=   -10.583096     -0.363243     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00000413902382
                2s
                   +0 :              -0.00047538156593
                3s
                   +0 :               0.00003098439643
                2p
                   -1 :               0.00002212203626
                   +0 :               0.00041852451134
                   +1 :               0.00019267188098
                3p
                   -1 :              -0.00012126494699
                   +0 :              -0.00010944418357
                   +1 :               0.00014599904540
                3d
                   -2 :               0.00003723077259
                   -1 :               0.00000624743177
                   +0 :               0.00000293426061
                   +1 :               0.00001597537557
                   +2 :              -0.00000593494144
              6 vec=     4.977229     -9.347001     -8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00000614189939
                2s
                   +0 :               0.00043217710126
                3s
                   +0 :               0.00004696728637
                2p
                   -1 :              -0.00008369643868
                   +0 :               0.00003854684060
                   +1 :               0.00018545129490
                3p
                   -1 :              -0.00017899511391
                   +0 :               0.00003503096508
                   +1 :              -0.00009932169141
                3d
                   -2 :               0.00000072601198
                   -1 :              -0.00000679136367
                   +0 :               0.00000849467917
                   +1 :               0.00002506559400
                   +2 :              -0.00002476410548
              7 vec=    -2.802933     13.112394     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00002321933367
                2s
                   +0 :               0.00027773266263
                3s
                   +0 :              -0.00002449682552
                2p
                   -1 :               0.00008537702524
                   +0 :              -0.00001161676567
                   +1 :              -0.00010211222391
                3p
                   -1 :               0.00004311242149
                   +0 :               0.00002427926132
                   +1 :               0.00004545530113
                3d
                   -2 :              -0.00000139916180
                   -1 :              -0.00000511808969
                   +0 :              -0.00001576487270
                   +1 :              -0.00000707620746
                   +2 :              -0.00000782610608
              8 vec=    12.757392      4.128636     -8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00003646252391
                2s
                   +0 :              -0.00063336716975
                3s
                   +0 :              -0.00006152887645
                2p
                   -1 :              -0.00001056718589
                   +0 :               0.00036595100116
                   +1 :              -0.00003187259889
                3p
                   -1 :              -0.00008903271845
                   +0 :              -0.00001497655734
                   +1 :              -0.00007028081949
                3d
                   -2 :              -0.00000869807664
                   -1 :               0.00004582126685
                   +0 :              -0.00003805939159
                   +1 :               0.00001407405160
                   +2 :               0.00001277646164
              9 vec=   -10.583096      8.620515     -8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00000665037100
                2s
                   +0 :               0.00006068842515
                3s
                   +0 :              -0.00000115022261
                2p
                   -1 :               0.00006446726028
                   +0 :               0.00042724018274
                   +1 :               0.00013601253216
                3p
                   -1 :              -0.00013689030070
                   +0 :              -0.00035477142137
                   +1 :              -0.00008936156681
                3d
                   -2 :               0.00001642374450
                   -1 :              -0.00001660122980
                   +0 :               0.00001942121103
                   +1 :               0.00000611781644
                   +2 :               0.00000882329183
             10 vec=    12.757392     -4.855122     -8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00001155493867
                2s
                   +0 :              -0.00005240663074
                3s
                   +0 :               0.00006418346813
                2p
                   -1 :              -0.00002092846205
                   +0 :              -0.00002187099218
                   +1 :               0.00012191067514
                3p
                   -1 :               0.00007179331708
                   +0 :              -0.00007610521385
                   +1 :              -0.00000213334087
                3d
                   -2 :               0.00001564961671
                   -1 :              -0.00001380919804
                   +0 :               0.00000578293627
                   +1 :              -0.00001945803829
                   +2 :              -0.00000306704428
             11 vec=   -10.583096     -9.347001     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000114497576
                2s
                   +0 :              -0.00006963205052
                3s
                   +0 :              -0.00000437016697
                2p
                   -1 :              -0.00000167430152
                   +0 :               0.00014178147792
                   +1 :              -0.00001938540894
                3p
                   -1 :               0.00004431696091
                   +0 :              -0.00005475905454
                   +1 :               0.00005881786575
                3d
                   -2 :              -0.00000015927235
                   -1 :               0.00000581368768
                   +0 :               0.00000865194734
                   +1 :               0.00000304447987
                   +2 :              -0.00000137957378
             12 vec=    -2.802933    -13.838880     -8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00002497352657
                2s
                   +0 :              -0.00011546381715
                3s
                   +0 :               0.00008875279679
                2p
                   -1 :              -0.00000309930584
                   +0 :               0.00005320820516
                   +1 :               0.00004403550812
                3p
                   -1 :               0.00000471663318
                   +0 :              -0.00003022436433
                   +1 :              -0.00005567055076
                3d
                   -2 :              -0.00000101203196
                   -1 :               0.00000653805851
                   +0 :               0.00000473275592
                   +1 :              -0.00000313412133
                   +2 :               0.00000005687611
             13 vec=    -2.802933      4.128636     16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00000538465928
                2s
                   +0 :              -0.00009964808193
                3s
                   +0 :               0.00000488686386
                2p
                   -1 :              -0.00002651546956
                   +0 :              -0.00005884512347
                   +1 :              -0.00002107169633
                3p
                   -1 :              -0.00000400065573
                   +0 :              -0.00003149911461
                   +1 :              -0.00003476308855
                3d
                   -2 :              -0.00000214030660
                   -1 :              -0.00000388830139
                   +0 :              -0.00000784589294
                   +1 :              -0.00000532886573
                   +2 :              -0.00000347005118
             14 vec=     4.977229     -0.363243     16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00002042116066
                2s
                   +0 :              -0.00015620581590
                3s
                   +0 :               0.00005839870083
                2p
                   -1 :              -0.00008918320314
                   +0 :              -0.00015336693071
                   +1 :              -0.00009114138333
                3p
                   -1 :               0.00005952081133
                   +0 :               0.00008240070421
                   +1 :               0.00006020073670
                3d
                   -2 :              -0.00000329148072
                   -1 :               0.00000802827970
                   +0 :              -0.00000580873922
                   +1 :               0.00000157515305
                   +2 :              -0.00000117638706
             15 vec=    -2.802933     -4.855122     16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000368799848
                2s
                   +0 :              -0.00000117907978
                3s
                   +0 :               0.00000396374041
                2p
                   -1 :               0.00004901908864
                   +0 :              -0.00004055027634
                   +1 :              -0.00019614121028
                3p
                   -1 :              -0.00001573416680
                   +0 :               0.00007301797002
                   +1 :               0.00010607064759
                3d
                   -2 :              -0.00000093080446
                   -1 :               0.00000163735674
                   +0 :               0.00000460248936
                   +1 :               0.00000132574233
                   +2 :              -0.00000150347992
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 28)  npairs=  14
              1 vec=     2.593128     -1.739106      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00045313763931
                2s
                   +0 :               0.03245576987434
                3s
                   +0 :               0.00060380990022
                2p
                   -1 :              -0.00369976766809
                   +0 :               0.02163207049173
                   +1 :               0.00185898473002
                3p
                   -1 :              -0.00671808071779
                   +0 :              -0.00071740145651
                   +1 :               0.00379284379258
                3d
                   -2 :              -0.00060674117577
                   -1 :              -0.00124363048281
                   +0 :               0.00096028989744
                   +1 :               0.00152469452368
                   +2 :              -0.00021487680038
              2 vec=    -5.187034      2.752773      4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00123294996908
                2s
                   +0 :              -0.01139239645888
                3s
                   +0 :               0.00510288268473
                2p
                   -1 :              -0.00686285276976
                   +0 :              -0.01174527779390
                   +1 :               0.01421193482937
                3p
                   -1 :               0.00389852681776
                   +0 :               0.00734877309645
                   +1 :              -0.01145837799564
                3d
                   -2 :              -0.00061167582994
                   -1 :               0.00048163355123
                   +0 :               0.00037791571481
                   +1 :              -0.00101227660557
                   +2 :               0.00050703944717
              3 vec=     2.593128      7.244652      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00044127982811
                2s
                   +0 :               0.00346896834665
                3s
                   +0 :              -0.00071028136500
                2p
                   -1 :               0.00039271942456
                   +0 :               0.00190990151331
                   +1 :              -0.00251685003742
                3p
                   -1 :               0.00022363578767
                   +0 :               0.00047907570831
                   +1 :               0.00147132402379
                3d
                   -2 :               0.00007969473814
                   -1 :               0.00029067587038
                   +0 :               0.00026559388601
                   +1 :              -0.00009638093114
                   +2 :              -0.00011580983637
              4 vec=    -5.187034     -6.230985      4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00000630438102
                2s
                   +0 :              -0.00031855704770
                3s
                   +0 :              -0.00049126080871
                2p
                   -1 :              -0.00008121002096
                   +0 :              -0.00069625291445
                   +1 :               0.00211746503480
                3p
                   -1 :               0.00088597377044
                   +0 :              -0.00010728672018
                   +1 :              -0.00145229605167
                3d
                   -2 :               0.00001205503797
                   -1 :              -0.00007714365758
                   +0 :              -0.00007715148766
                   +1 :              -0.00004199431753
                   +2 :               0.00002309764060
              5 vec=    10.373291      2.752773      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00019027712019
                2s
                   +0 :              -0.00071278885741
                3s
                   +0 :               0.00080891049292
                2p
                   -1 :               0.00102305606438
                   +0 :               0.00019204448863
                   +1 :              -0.00101893726912
                3p
                   -1 :              -0.00048572734907
                   +0 :               0.00007853320124
                   +1 :               0.00152945654181
                3d
                   -2 :               0.00001017001310
                   -1 :               0.00003647958764
                   +0 :              -0.00003432966997
                   +1 :              -0.00002307721036
                   +2 :               0.00011262537764
              6 vec=     2.593128    -10.722864      4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00003361938051
                2s
                   +0 :               0.00034300148053
                3s
                   +0 :              -0.00009232513169
                2p
                   -1 :              -0.00049793218058
                   +0 :               0.00004176811711
                   +1 :               0.00001916870502
                3p
                   -1 :               0.00033920239567
                   +0 :               0.00002369518848
                   +1 :              -0.00023706744747
                3d
                   -2 :               0.00002661527273
                   -1 :              -0.00000065732988
                   +0 :               0.00000696194262
                   +1 :              -0.00000798965187
                   +2 :               0.00000894455171
              7 vec=    10.373291     -6.230985      4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00003646416137
                2s
                   +0 :               0.00072901973916
                3s
                   +0 :               0.00002983926425
                2p
                   -1 :               0.00030416269906
                   +0 :               0.00006118481135
                   +1 :              -0.00033820679850
                3p
                   -1 :              -0.00036639360995
                   +0 :               0.00002415622844
                   +1 :               0.00049698756011
                3d
                   -2 :              -0.00001513198855
                   -1 :               0.00001753127161
                   +0 :              -0.00001078991870
                   +1 :               0.00002635768515
                   +2 :               0.00001057886704
              8 vec=    -5.187034     11.736531      4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00008038333524
                2s
                   +0 :              -0.00050372687138
                3s
                   +0 :               0.00018155868213
                2p
                   -1 :              -0.00003870022854
                   +0 :               0.00003175226200
                   +1 :               0.00064167817534
                3p
                   -1 :              -0.00001544600966
                   +0 :              -0.00013531165017
                   +1 :              -0.00065052244928
                3d
                   -2 :              -0.00005227519078
                   -1 :              -0.00002819442349
                   +0 :              -0.00000822093622
                   +1 :               0.00000342222380
                   +2 :               0.00004576662262
              9 vec=   -12.967197     -1.739106      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00006248692010
                2s
                   +0 :              -0.00029215572857
                3s
                   +0 :              -0.00030660313485
                2p
                   -1 :              -0.00006778046916
                   +0 :               0.00007117375845
                   +1 :               0.00106908812233
                3p
                   -1 :               0.00012852345646
                   +0 :              -0.00014516083921
                   +1 :              -0.00074747729999
                3d
                   -2 :              -0.00001328572298
                   -1 :              -0.00001614795586
                   +0 :              -0.00003686350151
                   +1 :              -0.00004215448135
                   +2 :               0.00002095639599
             10 vec=   -12.967197      7.244652      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00002951845645
                2s
                   +0 :               0.00012687483065
                3s
                   +0 :              -0.00020594289332
                2p
                   -1 :               0.00004889011597
                   +0 :              -0.00000216725229
                   +1 :              -0.00012837657235
                3p
                   -1 :              -0.00015187716002
                   +0 :              -0.00004586240690
                   +1 :               0.00016675954741
                3d
                   -2 :               0.00001595886320
                   -1 :              -0.00001263041212
                   +0 :              -0.00001423603387
                   +1 :              -0.00000539948242
                   +2 :               0.00000470938284
             11 vec=    10.373291     11.736531      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00000903886990
                2s
                   +0 :               0.00000537724795
                3s
                   +0 :               0.00009076772483
                2p
                   -1 :              -0.00010727022543
                   +0 :               0.00006625206252
                   +1 :              -0.00014589365392
                3p
                   -1 :               0.00018761129180
                   +0 :              -0.00001811976338
                   +1 :               0.00023710083956
                3d
                   -2 :               0.00002974867954
                   -1 :               0.00000079461577
                   +0 :              -0.00001742789821
                   +1 :               0.00001075489397
                   +2 :              -0.00000494870895
             12 vec=    -5.187034    -15.214743      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00001979024984
                2s
                   +0 :              -0.00018643673396
                3s
                   +0 :               0.00004970052932
                2p
                   -1 :               0.00010531715877
                   +0 :               0.00004410185073
                   +1 :              -0.00004087320109
                3p
                   -1 :              -0.00001671885692
                   +0 :              -0.00003594672861
                   +1 :               0.00000949876034
                3d
                   -2 :              -0.00000898715593
                   -1 :               0.00000107614617
                   +0 :              -0.00000084034514
                   +1 :              -0.00000081615286
                   +2 :               0.00000004651396
             13 vec=     2.593128     16.228410      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00002470231853
                2s
                   +0 :               0.00020152194225
                3s
                   +0 :              -0.00006273928526
                2p
                   -1 :               0.00012761750509
                   +0 :              -0.00003343654308
                   +1 :               0.00002130394144
                3p
                   -1 :              -0.00007991425767
                   +0 :               0.00002420863370
                   +1 :              -0.00001473805785
                3d
                   -2 :              -0.00000596561075
                   -1 :               0.00000272447462
                   +0 :              -0.00000013595572
                   +1 :              -0.00000117718817
                   +2 :               0.00000314374471
             14 vec=   -12.967197    -10.722864      4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00002936603253
                2s
                   +0 :              -0.00026771152961
                3s
                   +0 :               0.00006372895788
                2p
                   -1 :               0.00001691189077
                   +0 :              -0.00004081161902
                   +1 :               0.00018008991244
                3p
                   -1 :               0.00003082117529
                   +0 :               0.00002117963029
                   +1 :              -0.00009351491518
                3d
                   -2 :              -0.00000793587213
                   -1 :               0.00000060134415
                   +0 :              -0.00000046286744
                   +1 :              -0.00000385916201
                   +2 :               0.00000290631368
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 29)  npairs=  14
              1 vec=    -0.418832      2.752773      4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00065365601362
                2s
                   +0 :              -0.00991461115094
                3s
                   +0 :               0.00168871601447
                2p
                   -1 :              -0.00569767506524
                   +0 :              -0.00541753817846
                   +1 :              -0.00818674766147
                3p
                   -1 :               0.00348517136241
                   +0 :              -0.00102014975010
                   +1 :              -0.00441072995710
                3d
                   -2 :              -0.00128574737366
                   -1 :              -0.00056949086256
                   +0 :              -0.00094385770919
                   +1 :              -0.00186425057241
                   +2 :               0.00028228570458
              2 vec=    -0.418832     -6.230985      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00014068891910
                2s
                   +0 :               0.00062739575163
                3s
                   +0 :              -0.00067607244208
                2p
                   -1 :               0.00041959852607
                   +0 :               0.00066741822171
                   +1 :              -0.00167459468047
                3p
                   -1 :               0.00002866794440
                   +0 :              -0.00082682062659
                   +1 :               0.00067711298466
                3d
                   -2 :              -0.00003126322829
                   -1 :               0.00000927262087
                   +0 :               0.00002986619650
                   +1 :              -0.00005686479460
                   +2 :               0.00002485893985
              3 vec=     7.361331     -1.739106      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00066824289664
                2s
                   +0 :               0.00427658948046
                3s
                   +0 :              -0.00101704090904
                2p
                   -1 :              -0.00120217020668
                   +0 :               0.00044624179491
                   +1 :               0.00279780253627
                3p
                   -1 :               0.00055525020431
                   +0 :               0.00131137670395
                   +1 :              -0.00135985078686
                3d
                   -2 :               0.00005750347465
                   -1 :              -0.00009022653569
                   +0 :               0.00029993034543
                   +1 :              -0.00002785853907
                   +2 :              -0.00012528546674
              4 vec=    -8.198995     -1.739106      4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00088597882347
                2s
                   +0 :              -0.00582303751817
                3s
                   +0 :               0.00187118441334
                2p
                   -1 :               0.00088746873813
                   +0 :              -0.00212334699947
                   +1 :               0.00157841314652
                3p
                   -1 :              -0.00045608043905
                   +0 :               0.00028549459559
                   +1 :              -0.00019019879037
                3d
                   -2 :               0.00013862386660
                   -1 :               0.00014243993822
                   +0 :              -0.00018696646829
                   +1 :              -0.00012524921359
                   +2 :               0.00011524220198
              5 vec=     7.361331      7.244652      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00007957894970
                2s
                   +0 :               0.00005420043752
                3s
                   +0 :               0.00014482096861
                2p
                   -1 :               0.00181349490129
                   +0 :               0.00009912711958
                   +1 :               0.00115959019776
                3p
                   -1 :              -0.00138656670824
                   +0 :              -0.00005155900218
                   +1 :              -0.00067245934872
                3d
                   -2 :              -0.00013525902764
                   -1 :               0.00000537712116
                   +0 :               0.00018138402000
                   +1 :               0.00003015845270
                   +2 :               0.00003176001169
              6 vec=    -8.198995      7.244652      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00002140158018
                2s
                   +0 :              -0.00006190638153
                3s
                   +0 :              -0.00016512877351
                2p
                   -1 :              -0.00034847800246
                   +0 :               0.00025769603530
                   +1 :              -0.00008746166920
                3p
                   -1 :               0.00006923942724
                   +0 :              -0.00021318420242
                   +1 :               0.00027444516786
                3d
                   -2 :               0.00014222636648
                   -1 :              -0.00009010856854
                   +0 :               0.00004858460771
                   +1 :              -0.00001037235347
                   +2 :               0.00002031499975
              7 vec=    -0.418832     11.736531      4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001535862331
                2s
                   +0 :               0.00009563844079
                3s
                   +0 :               0.00021946704781
                2p
                   -1 :              -0.00032902592996
                   +0 :               0.00018814002408
                   +1 :              -0.00047899034921
                3p
                   -1 :               0.00041592319205
                   +0 :               0.00003632235638
                   +1 :               0.00039515734200
                3d
                   -2 :               0.00003857380080
                   -1 :               0.00001261867110
                   +0 :              -0.00001658107209
                   +1 :              -0.00000582213893
                   +2 :              -0.00000640784394
              8 vec=     7.361331    -10.722864      4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00004568128657
                2s
                   +0 :               0.00060188879971
                3s
                   +0 :              -0.00000935946571
                2p
                   -1 :              -0.00027011467715
                   +0 :              -0.00002072356737
                   +1 :               0.00008354689852
                3p
                   -1 :              -0.00005175390675
                   +0 :               0.00018864727964
                   +1 :               0.00002738877183
                3d
                   -2 :              -0.00002469442512
                   -1 :              -0.00002357525338
                   +0 :              -0.00001946224101
                   +1 :              -0.00000402439551
                   +2 :              -0.00002368899225
              9 vec=    -8.198995    -10.722864      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00009262303688
                2s
                   +0 :              -0.00089784002503
                3s
                   +0 :               0.00018260172995
                2p
                   -1 :               0.00006970187812
                   +0 :              -0.00011322845836
                   +1 :               0.00010456407935
                3p
                   -1 :               0.00010717396919
                   +0 :              -0.00003572451000
                   +1 :               0.00006298476404
                3d
                   -2 :              -0.00000139678914
                   -1 :               0.00000536891463
                   +0 :              -0.00000385089659
                   +1 :               0.00000073722597
                   +2 :               0.00001145057422
             10 vec=    -0.418832    -15.214743      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000879245588
                2s
                   +0 :              -0.00008027291961
                3s
                   +0 :               0.00002773285116
                2p
                   -1 :              -0.00002428849954
                   +0 :              -0.00003487941772
                   +1 :              -0.00014105384293
                3p
                   -1 :               0.00001895879683
                   +0 :               0.00001311528784
                   +1 :               0.00006595853737
                3d
                   -2 :               0.00000480204529
                   -1 :               0.00000008755050
                   +0 :              -0.00000072136982
                   +1 :               0.00000417459659
                   +2 :               0.00000296707500
             11 vec=    15.141493      2.752773      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00009319805353
                2s
                   +0 :               0.00066116821811
                3s
                   +0 :              -0.00027537984518
                2p
                   -1 :               0.00014858632097
                   +0 :               0.00013875148556
                   +1 :               0.00048413709227
                3p
                   -1 :              -0.00009510861327
                   +0 :              -0.00012505975591
                   +1 :              -0.00023608098445
                3d
                   -2 :              -0.00000945921899
                   -1 :              -0.00000483830656
                   +0 :              -0.00001859650279
                   +1 :              -0.00000832814899
                   +2 :              -0.00000218444394
             12 vec=   -15.979157      2.752773      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00003808191822
                2s
                   +0 :              -0.00033610920880
                3s
                   +0 :               0.00009362655998
                2p
                   -1 :               0.00005452576136
                   +0 :              -0.00008852812964
                   +1 :               0.00051716708841
                3p
                   -1 :              -0.00010414039893
                   +0 :               0.00005916889775
                   +1 :              -0.00036887171532
                3d
                   -2 :               0.00000444161686
                   -1 :              -0.00000769004125
                   +0 :              -0.00000817996182
                   +1 :              -0.00000849647836
                   +2 :               0.00002475761278
             13 vec=    15.141493     -6.230985      4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00004013244745
                2s
                   +0 :               0.00031750610621
                3s
                   +0 :              -0.00010447094755
                2p
                   -1 :               0.00006969366452
                   +0 :               0.00002940039371
                   +1 :               0.00022845572726
                3p
                   -1 :              -0.00007129939827
                   +0 :              -0.00001727268294
                   +1 :              -0.00010081853877
                3d
                   -2 :              -0.00000629970354
                   -1 :               0.00000119307913
                   +0 :              -0.00000388135322
                   +1 :              -0.00000227951912
                   +2 :              -0.00000856026749
             14 vec=   -15.979157     -6.230985      4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00001828643654
                2s
                   +0 :              -0.00017131393442
                3s
                   +0 :               0.00001738822876
                2p
                   -1 :               0.00000063398120
                   +0 :               0.00000689307898
                   +1 :              -0.00000228880714
                3p
                   -1 :               0.00004544679914
                   +0 :              -0.00001700062631
                   +1 :               0.00006035694868
                3d
                   -2 :              -0.00000732848440
                   -1 :               0.00000509209907
                   +0 :               0.00000523105676
                   +1 :               0.00000050766413
                   +2 :               0.00000668653840
WF             site_B          number of pairs
WF( 11)=[O_2_2px]  to site O ( 30)  npairs=  14
              1 vec=    -2.802933     -1.376611      4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00130044859919
                2s
                   +0 :              -0.04065764616059
                3s
                   +0 :               0.00040612345187
                2p
                   -1 :               0.01127862638305
                   +0 :              -0.02614174389966
                   +1 :               0.00746468112220
                3p
                   -1 :              -0.00058076387992
                   +0 :              -0.00189835536586
                   +1 :               0.00184509610152
                3d
                   -2 :              -0.00063095809932
                   -1 :               0.00150318201077
                   +0 :              -0.00213478407946
                   +1 :               0.00197972576128
                   +2 :              -0.00016891676934
              2 vec=     4.977229      3.115268      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00212263805669
                2s
                   +0 :               0.01528525133409
                3s
                   +0 :              -0.00660693664084
                2p
                   -1 :               0.00326168552257
                   +0 :               0.00183282906738
                   +1 :               0.01200258023806
                3p
                   -1 :              -0.00124602558474
                   +0 :              -0.00024607801393
                   +1 :              -0.00908720532942
                3d
                   -2 :              -0.00047821081566
                   -1 :              -0.00014801223854
                   +0 :               0.00022272175220
                   +1 :              -0.00009136741883
                   +2 :              -0.00042695878469
              3 vec=     4.977229     -5.868490      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00012466609072
                2s
                   +0 :               0.00043397362128
                3s
                   +0 :               0.00007284393776
                2p
                   -1 :              -0.00258668041712
                   +0 :              -0.00199033909929
                   +1 :               0.00151275019026
                3p
                   -1 :               0.00105124906920
                   +0 :               0.00107069745666
                   +1 :              -0.00084578843921
                3d
                   -2 :               0.00007067285273
                   -1 :              -0.00008517126658
                   +0 :              -0.00004574916225
                   +1 :              -0.00015476152790
                   +2 :              -0.00002008623249
              4 vec=    -2.802933      7.607147      4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00010624591460
                2s
                   +0 :              -0.00047867645619
                3s
                   +0 :               0.00019249291330
                2p
                   -1 :               0.00249327655540
                   +0 :              -0.00272373161730
                   +1 :              -0.00333594632938
                3p
                   -1 :              -0.00238803491731
                   +0 :               0.00137033028142
                   +1 :               0.00212906165456
                3d
                   -2 :               0.00006231271044
                   -1 :               0.00000383776689
                   +0 :              -0.00001547606025
                   +1 :               0.00006094037575
                   +2 :               0.00003497166241
              5 vec=    -2.802933    -10.360369      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00013380027355
                2s
                   +0 :              -0.00107888327726
                3s
                   +0 :               0.00045129755924
                2p
                   -1 :               0.00080870485833
                   +0 :               0.00005615303790
                   +1 :              -0.00006988005830
                3p
                   -1 :              -0.00048376877966
                   +0 :              -0.00012490719843
                   +1 :              -0.00008682654741
                3d
                   -2 :               0.00000134282492
                   -1 :              -0.00000223490102
                   +0 :               0.00005097889439
                   +1 :              -0.00000163181077
                   +2 :              -0.00002023079169
              6 vec=   -10.583096      3.115268      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00007695579675
                2s
                   +0 :              -0.00074569130664
                3s
                   +0 :               0.00005691201345
                2p
                   -1 :              -0.00070909673910
                   +0 :              -0.00062725044332
                   +1 :              -0.00065009128977
                3p
                   -1 :               0.00046032234431
                   +0 :               0.00032752959184
                   +1 :               0.00076055424373
                3d
                   -2 :               0.00001875887160
                   -1 :              -0.00003068654188
                   +0 :              -0.00003846353831
                   +1 :              -0.00004510476904
                   +2 :              -0.00012202715473
              7 vec=   -10.583096     -5.868490      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00007671266957
                2s
                   +0 :              -0.00107188257842
                3s
                   +0 :               0.00021731975445
                2p
                   -1 :               0.00040892651390
                   +0 :               0.00034418316020
                   +1 :               0.00016164819332
                3p
                   -1 :              -0.00021928242129
                   +0 :              -0.00032129387680
                   +1 :              -0.00001146460365
                3d
                   -2 :               0.00004276408688
                   -1 :               0.00000694711435
                   +0 :              -0.00001988231446
                   +1 :              -0.00000030634891
                   +2 :              -0.00002486248466
              8 vec=    12.757392     -1.376611      4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00008294720886
                2s
                   +0 :               0.00106335625664
                3s
                   +0 :              -0.00009046790185
                2p
                   -1 :              -0.00044142857868
                   +0 :               0.00053167607609
                   +1 :               0.00035630475280
                3p
                   -1 :               0.00036818198888
                   +0 :              -0.00018596057907
                   +1 :              -0.00007030839956
                3d
                   -2 :               0.00000515739674
                   -1 :              -0.00000380470083
                   +0 :               0.00001979956468
                   +1 :              -0.00001044853774
                   +2 :               0.00003758825786
              9 vec=     4.977229     12.099026      4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00009635732960
                2s
                   +0 :               0.00077463476753
                3s
                   +0 :              -0.00017614556571
                2p
                   -1 :               0.00014876906517
                   +0 :               0.00025280169713
                   +1 :               0.00028646397227
                3p
                   -1 :              -0.00007084127445
                   +0 :              -0.00005960741810
                   +1 :              -0.00026597181569
                3d
                   -2 :              -0.00002892421651
                   -1 :               0.00000165138339
                   +0 :               0.00002351384637
                   +1 :              -0.00002962422842
                   +2 :               0.00002722921754
             10 vec=    12.757392      7.607147      4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00001250408290
                2s
                   +0 :               0.00003845303111
                3s
                   +0 :              -0.00001416024435
                2p
                   -1 :               0.00009612970218
                   +0 :              -0.00013934819555
                   +1 :              -0.00000708064674
                3p
                   -1 :              -0.00002604930990
                   +0 :               0.00002812235947
                   +1 :               0.00006992323874
                3d
                   -2 :               0.00000503023394
                   -1 :              -0.00000366772039
                   +0 :              -0.00000434111192
                   +1 :               0.00000194671849
                   +2 :               0.00001059349845
             11 vec=     4.977229    -14.852248      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000204142678
                2s
                   +0 :               0.00002846532198
                3s
                   +0 :               0.00002259739548
                2p
                   -1 :               0.00000772161016
                   +0 :              -0.00001331097351
                   +1 :              -0.00003385541454
                3p
                   -1 :              -0.00005176232863
                   +0 :               0.00002846783298
                   +1 :              -0.00001527114292
                3d
                   -2 :               0.00000010605717
                   -1 :              -0.00000477181802
                   +0 :              -0.00000240368864
                   +1 :              -0.00000469860465
                   +2 :              -0.00000226352576
             12 vec=   -10.583096     12.099026      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00001613757203
                2s
                   +0 :              -0.00009933141278
                3s
                   +0 :               0.00003579798537
                2p
                   -1 :              -0.00006859481795
                   +0 :               0.00013696196291
                   +1 :               0.00007265473247
                3p
                   -1 :              -0.00002026021878
                   +0 :              -0.00012547987837
                   +1 :              -0.00003701688625
                3d
                   -2 :               0.00000606141433
                   -1 :              -0.00000970798211
                   +0 :               0.00000573320941
                   +1 :               0.00000255475009
                   +2 :              -0.00000573777422
             13 vec=    12.757392    -10.360369      4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00003720986936
                2s
                   +0 :               0.00033725132194
                3s
                   +0 :              -0.00006177761103
                2p
                   -1 :              -0.00019428262136
                   +0 :               0.00003669725076
                   +1 :               0.00007954548842
                3p
                   -1 :               0.00010450248453
                   +0 :               0.00000442401439
                   +1 :               0.00000317359469
                3d
                   -2 :              -0.00000693837813
                   -1 :               0.00000422177453
                   +0 :               0.00000760378986
                   +1 :              -0.00000345463101
                   +2 :               0.00001151358800
             14 vec=    -2.802933     16.590905      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000040468175
                2s
                   +0 :               0.00009760014741
                3s
                   +0 :               0.00003186976140
                2p
                   -1 :               0.00001803701247
                   +0 :               0.00004390660591
                   +1 :              -0.00001891794145
                3p
                   -1 :               0.00002402738200
                   +0 :              -0.00000136606069
                   +1 :               0.00001619287220
                3d
                   -2 :               0.00000736581400
                   -1 :               0.00000057768417
                   +0 :               0.00000121546963
                   +1 :               0.00000339762992
                   +2 :              -0.00000379263074
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al(  1)  npairs=  14
              1 vec=     0.000000     -2.752623      2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.02375368820881
                2p
                   -1 :               0.02461279858147
                   +0 :              -0.02245700380864
                   +1 :              -0.00205905221297
                3s
                   +0 :              -0.07182324832213
                4s
                   +0 :              -0.00911023744729
                3p
                   -1 :               0.02475427016220
                   +0 :              -0.05991344443767
                   +1 :               0.01383071154805
                4p
                   -1 :               0.01329981663950
                   +0 :              -0.00914540101131
                   +1 :              -0.00517525272396
                3d
                   -2 :              -0.00241455840354
                   -1 :               0.04452764352565
                   +0 :              -0.02081480693461
                   +1 :               0.00077087578637
                   +2 :               0.01482022323051
              2 vec=     0.000000      6.231135      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00237287156438
                2p
                   -1 :              -0.00221819943511
                   +0 :              -0.00106938001057
                   +1 :               0.00100846757073
                3s
                   +0 :               0.00381066746086
                4s
                   +0 :              -0.00586835623743
                3p
                   -1 :               0.00263651922876
                   +0 :              -0.00047400124929
                   +1 :              -0.00629081445696
                4p
                   -1 :              -0.00360445459076
                   +0 :              -0.00150186843522
                   +1 :               0.00164076498822
                3d
                   -2 :              -0.00086899039577
                   -1 :               0.00069215731763
                   +0 :               0.00109418773688
                   +1 :               0.00005229374610
                   +2 :              -0.00013488677370
              3 vec=    -7.780163      1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00089182558465
                2p
                   -1 :              -0.00036266544219
                   +0 :              -0.00031366547664
                   +1 :              -0.00073116688549
                3s
                   +0 :              -0.00285746337939
                4s
                   +0 :               0.00094787712977
                3p
                   -1 :               0.00135615813072
                   +0 :               0.00187511754593
                   +1 :               0.00415429977059
                4p
                   -1 :               0.00012357709406
                   +0 :              -0.00041545884650
                   +1 :              -0.00087100119150
                3d
                   -2 :              -0.00032703515744
                   -1 :               0.00044143387543
                   +0 :               0.00088466983273
                   +1 :               0.00005655131260
                   +2 :              -0.00124479689456
              4 vec=     7.780163      1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00016071991212
                2p
                   -1 :              -0.00055582168738
                   +0 :               0.00018143431212
                   +1 :               0.00016794406613
                3s
                   +0 :              -0.00315221226113
                4s
                   +0 :               0.00284500818897
                3p
                   -1 :               0.00397445964990
                   +0 :              -0.00144174658416
                   +1 :              -0.00432961845558
                4p
                   -1 :              -0.00103377334425
                   +0 :               0.00089880953305
                   +1 :               0.00258547201446
                3d
                   -2 :               0.00040650776739
                   -1 :               0.00032272573601
                   +0 :               0.00042754721188
                   +1 :              -0.00101687527066
                   +2 :              -0.00085897074123
              5 vec=    -7.780163     -7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00018380758253
                2p
                   -1 :               0.00007809333603
                   +0 :               0.00011008939365
                   +1 :              -0.00009613280866
                3s
                   +0 :              -0.00008294874368
                4s
                   +0 :               0.00056686562234
                3p
                   -1 :               0.00006734042007
                   +0 :              -0.00000695391547
                   +1 :               0.00093694148830
                4p
                   -1 :              -0.00020360193887
                   +0 :               0.00023981757568
                   +1 :              -0.00045249172861
                3d
                   -2 :              -0.00031959695891
                   -1 :              -0.00012650521431
                   +0 :              -0.00003466707650
                   +1 :               0.00034244508896
                   +2 :              -0.00010948981354
              6 vec=     7.780163     -7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00024281472264
                2p
                   -1 :              -0.00006572801647
                   +0 :              -0.00009537588295
                   +1 :               0.00008997677057
                3s
                   +0 :              -0.00124285991532
                4s
                   +0 :               0.00064973464834
                3p
                   -1 :               0.00017528750436
                   +0 :               0.00088118491886
                   +1 :              -0.00075542093270
                4p
                   -1 :              -0.00001957805478
                   +0 :              -0.00009697684357
                   +1 :               0.00035836909176
                3d
                   -2 :               0.00019700561731
                   -1 :               0.00001288880754
                   +0 :               0.00008061148264
                   +1 :              -0.00019782455942
                   +2 :              -0.00002565834674
              7 vec=     0.000000    -11.736381      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00081046362319
                2p
                   -1 :               0.00027374125755
                   +0 :              -0.00034925067298
                   +1 :              -0.00009562630668
                3s
                   +0 :               0.00304097963655
                4s
                   +0 :              -0.00102286234945
                3p
                   -1 :              -0.00118688408093
                   +0 :               0.00140484540398
                   +1 :               0.00043784305720
                4p
                   -1 :               0.00033289823126
                   +0 :              -0.00038434776525
                   +1 :              -0.00004483122492
                3d
                   -2 :              -0.00035034180591
                   -1 :               0.00007788098805
                   +0 :              -0.00002282871893
                   +1 :               0.00002106044420
                   +2 :              -0.00009365885177
              8 vec=    -7.780163     10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00005207660580
                2p
                   -1 :               0.00010456632555
                   +0 :               0.00004803225683
                   +1 :               0.00003957509272
                3s
                   +0 :               0.00138366650718
                4s
                   +0 :              -0.00017969684653
                3p
                   -1 :              -0.00035805176443
                   +0 :               0.00068194633965
                   +1 :              -0.00109861799192
                4p
                   -1 :               0.00007026996924
                   +0 :               0.00005905836843
                   +1 :               0.00022890800529
                3d
                   -2 :              -0.00005453258336
                   -1 :               0.00006028221835
                   +0 :               0.00026292601017
                   +1 :              -0.00035536417849
                   +2 :               0.00023885328265
              9 vec=     7.780163     10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00010268515751
                2p
                   -1 :              -0.00008272799524
                   +0 :               0.00023469947814
                   +1 :               0.00028531112240
                3s
                   +0 :               0.00088903576893
                4s
                   +0 :               0.00011137262598
                3p
                   -1 :               0.00059702303490
                   +0 :              -0.00002489784935
                   +1 :              -0.00073613305919
                4p
                   -1 :              -0.00013782018362
                   +0 :               0.00015591572904
                   +1 :               0.00035756371971
                3d
                   -2 :               0.00002794138294
                   -1 :              -0.00004644289822
                   +0 :               0.00025682862306
                   +1 :               0.00025519195823
                   +2 :              -0.00021786833792
             10 vec=     0.000000     15.214893      2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00001501291585
                2p
                   -1 :              -0.00000787606188
                   +0 :               0.00000688842361
                   +1 :              -0.00001565766429
                3s
                   +0 :               0.00026119347287
                4s
                   +0 :              -0.00004532425563
                3p
                   -1 :               0.00013071382743
                   +0 :              -0.00007105984457
                   +1 :               0.00006811229516
                4p
                   -1 :              -0.00005832757914
                   +0 :               0.00004416621006
                   +1 :               0.00001408526959
                3d
                   -2 :              -0.00001701104888
                   -1 :              -0.00000809476595
                   +0 :               0.00002298148448
                   +1 :               0.00007410211479
                   +2 :              -0.00001148853726
             11 vec=   -15.560325     -2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00008886211367
                2p
                   -1 :              -0.00000309224471
                   +0 :              -0.00003624070106
                   +1 :               0.00006620730472
                3s
                   +0 :              -0.00002885196617
                4s
                   +0 :              -0.00008200074578
                3p
                   -1 :              -0.00003842882108
                   +0 :               0.00007421295093
                   +1 :              -0.00022557631041
                4p
                   -1 :              -0.00000925778069
                   +0 :              -0.00005657014711
                   +1 :               0.00007364852777
                3d
                   -2 :               0.00003592697971
                   -1 :              -0.00004503020523
                   +0 :              -0.00004939265348
                   +1 :              -0.00001002793687
                   +2 :               0.00001238157765
             12 vec=    15.560325     -2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00005400927534
                2p
                   -1 :              -0.00004974691009
                   +0 :              -0.00000714038861
                   +1 :              -0.00001697879364
                3s
                   +0 :              -0.00058882611725
                4s
                   +0 :               0.00010081767438
                3p
                   -1 :               0.00016230559645
                   +0 :              -0.00014620766235
                   +1 :              -0.00008270933513
                4p
                   -1 :              -0.00005106348548
                   +0 :               0.00002031450246
                   +1 :               0.00001744992477
                3d
                   -2 :               0.00000345948073
                   -1 :              -0.00012871895790
                   +0 :              -0.00000444667257
                   +1 :              -0.00005091527426
                   +2 :               0.00005177810617
             13 vec=   -15.560325      6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00009280119563
                2p
                   -1 :               0.00001070300209
                   +0 :               0.00002036042366
                   +1 :              -0.00003961213369
                3s
                   +0 :              -0.00033596705646
                4s
                   +0 :               0.00011787943372
                3p
                   -1 :              -0.00010614736681
                   +0 :              -0.00012009344096
                   +1 :               0.00018468397608
                4p
                   -1 :               0.00002665083754
                   +0 :               0.00004021863981
                   +1 :              -0.00004635608308
                3d
                   -2 :               0.00001180217725
                   -1 :              -0.00000655783952
                   +0 :              -0.00000312688587
                   +1 :               0.00001492196971
                   +2 :              -0.00001264139583
             14 vec=    15.560325      6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00005171131532
                2p
                   -1 :               0.00002403368387
                   +0 :               0.00004056498135
                   +1 :               0.00001263783541
                3s
                   +0 :              -0.00015644721518
                4s
                   +0 :               0.00002703171400
                3p
                   -1 :              -0.00014124440034
                   +0 :              -0.00019313766188
                   +1 :               0.00001176662261
                4p
                   -1 :               0.00003056506404
                   +0 :               0.00003202567375
                   +1 :              -0.00002380722486
                3d
                   -2 :              -0.00000106958009
                   -1 :               0.00000079832786
                   +0 :              -0.00002490200806
                   +1 :              -0.00001748782631
                   +2 :              -0.00000115858873
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al(  2)  npairs=  13
              1 vec=     0.000000     -2.752623      9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00036184870197
                2p
                   -1 :              -0.00018484325124
                   +0 :               0.00012914218986
                   +1 :               0.00025446926072
                3s
                   +0 :              -0.00024089365727
                4s
                   +0 :               0.00003147989867
                3p
                   -1 :              -0.00058211049780
                   +0 :              -0.00009706925022
                   +1 :              -0.00128397295046
                4p
                   -1 :              -0.00002008615314
                   +0 :               0.00000060493322
                   +1 :               0.00049315183780
                3d
                   -2 :               0.00034327550028
                   -1 :              -0.00031489329341
                   +0 :               0.00011374570359
                   +1 :              -0.00001663290647
                   +2 :               0.00043977501293
              2 vec=     0.000000      6.231135      9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00049625753419
                2p
                   -1 :              -0.00008319596758
                   +0 :              -0.00026998692753
                   +1 :               0.00012445395138
                3s
                   +0 :               0.00247047675631
                4s
                   +0 :              -0.00107022625229
                3p
                   -1 :               0.00057986065048
                   +0 :               0.00227496973526
                   +1 :              -0.00027595486754
                4p
                   -1 :              -0.00014196322635
                   +0 :              -0.00077672712410
                   +1 :              -0.00014052466931
                3d
                   -2 :              -0.00041265920934
                   -1 :               0.00022649118094
                   +0 :               0.00056115845188
                   +1 :              -0.00017040775096
                   +2 :               0.00002886741371
              3 vec=    -7.780163      1.739256      9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00000923811237
                2p
                   -1 :              -0.00015935316693
                   +0 :               0.00002862658933
                   +1 :              -0.00002229211541
                3s
                   +0 :              -0.00107805378014
                4s
                   +0 :              -0.00004618138891
                3p
                   -1 :               0.00040850430906
                   +0 :              -0.00049558329438
                   +1 :               0.00120976094419
                4p
                   -1 :              -0.00031674324173
                   +0 :               0.00006895307286
                   +1 :              -0.00017989005179
                3d
                   -2 :               0.00041813424864
                   -1 :              -0.00014194008962
                   +0 :               0.00010604821409
                   +1 :               0.00033793542118
                   +2 :              -0.00027480518465
              4 vec=     7.780163      1.739256      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00000109187955
                2p
                   -1 :              -0.00000163814900
                   +0 :               0.00005383938197
                   +1 :               0.00010436028968
                3s
                   +0 :              -0.00090182423165
                4s
                   +0 :               0.00026882881532
                3p
                   -1 :              -0.00036475269780
                   +0 :              -0.00065063744807
                   +1 :              -0.00133927235985
                4p
                   -1 :              -0.00012566268772
                   +0 :               0.00025147239860
                   +1 :               0.00031372644438
                3d
                   -2 :              -0.00005687571082
                   -1 :               0.00003264413663
                   +0 :               0.00014152777179
                   +1 :              -0.00023056549255
                   +2 :              -0.00003823492995
              5 vec=    -7.780163     -7.244502      9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00008574184734
                2p
                   -1 :               0.00004816470120
                   +0 :               0.00003523360006
                   +1 :              -0.00015514396101
                3s
                   +0 :              -0.00064618054715
                4s
                   +0 :               0.00031023996237
                3p
                   -1 :              -0.00024772881920
                   +0 :              -0.00042023232487
                   +1 :               0.00094435441497
                4p
                   -1 :              -0.00000726781683
                   +0 :               0.00013801604853
                   +1 :              -0.00029089498258
                3d
                   -2 :              -0.00005187752915
                   -1 :              -0.00011046220400
                   +0 :              -0.00012810291373
                   +1 :               0.00018242192213
                   +2 :              -0.00018236137647
              6 vec=     7.780163     -7.244502      9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00025337858554
                2p
                   -1 :               0.00005968241247
                   +0 :               0.00007273214686
                   +1 :               0.00003886835432
                3s
                   +0 :              -0.00084066204978
                4s
                   +0 :               0.00023190529158
                3p
                   -1 :              -0.00035116785607
                   +0 :              -0.00045794426976
                   +1 :              -0.00006146810476
                4p
                   -1 :               0.00007302309911
                   +0 :               0.00009568632356
                   +1 :              -0.00005451492002
                3d
                   -2 :              -0.00018840252458
                   -1 :              -0.00011766544383
                   +0 :              -0.00007908357933
                   +1 :              -0.00004380171491
                   +2 :              -0.00002809981903
              7 vec=     0.000000     -2.752623    -14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00009275551309
                2p
                   -1 :              -0.00001960355210
                   +0 :              -0.00001904815479
                   +1 :               0.00004465107980
                3s
                   +0 :              -0.00041307668071
                4s
                   +0 :               0.00005575843239
                3p
                   -1 :               0.00045742544460
                   +0 :               0.00019200740946
                   +1 :              -0.00019172005661
                4p
                   -1 :              -0.00000854827052
                   +0 :              -0.00003458689700
                   +1 :               0.00004040851809
                3d
                   -2 :               0.00007998392468
                   -1 :              -0.00015866258003
                   +0 :               0.00007403967329
                   +1 :              -0.00001045536326
                   +2 :              -0.00004059697548
              8 vec=     0.000000    -11.736381      9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00030090108112
                2p
                   -1 :               0.00018529615152
                   +0 :              -0.00017225758763
                   +1 :              -0.00009344443937
                3s
                   +0 :               0.00079725525929
                4s
                   +0 :              -0.00026348397253
                3p
                   -1 :              -0.00082836388325
                   +0 :               0.00079654364983
                   +1 :               0.00056912219839
                4p
                   -1 :               0.00021047892605
                   +0 :              -0.00015411229395
                   +1 :              -0.00022227162701
                3d
                   -2 :              -0.00006266104705
                   -1 :              -0.00035071907314
                   +0 :               0.00003728375629
                   +1 :               0.00001907497352
                   +2 :              -0.00017291375157
              9 vec=     0.000000      6.231135    -14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00000134188102
                2p
                   -1 :               0.00000386137818
                   +0 :               0.00000770122749
                   +1 :               0.00003286981535
                3s
                   +0 :              -0.00002713981700
                4s
                   +0 :              -0.00000635390476
                3p
                   -1 :              -0.00008806899263
                   +0 :              -0.00011487592446
                   +1 :              -0.00015029879292
                4p
                   -1 :               0.00000069059317
                   +0 :               0.00001296265266
                   +1 :               0.00004386040465
                3d
                   -2 :              -0.00003113281689
                   -1 :               0.00001375488102
                   +0 :              -0.00004187012349
                   +1 :               0.00001747928574
                   +2 :               0.00001602046210
             10 vec=    -7.780163     10.723014      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00005280749242
                2p
                   -1 :              -0.00001226729509
                   +0 :              -0.00002192052397
                   +1 :               0.00001268502706
                3s
                   +0 :               0.00049444847053
                4s
                   +0 :              -0.00010135170567
                3p
                   -1 :               0.00009404316268
                   +0 :               0.00023189495168
                   +1 :              -0.00026110777591
                4p
                   -1 :              -0.00002437821643
                   +0 :              -0.00004913515601
                   +1 :               0.00004656485010
                3d
                   -2 :              -0.00002685356073
                   -1 :               0.00000773129500
                   +0 :               0.00000737848580
                   +1 :              -0.00005030489665
                   +2 :               0.00005873273561
             11 vec=     7.780163     10.723014      9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00012650814423
                2p
                   -1 :               0.00005527189708
                   +0 :               0.00000638959953
                   +1 :               0.00010425428418
                3s
                   +0 :              -0.00010488956167
                4s
                   +0 :               0.00006878242519
                3p
                   -1 :              -0.00021242299021
                   +0 :               0.00013729476267
                   +1 :              -0.00035107738665
                4p
                   -1 :               0.00003662221869
                   +0 :              -0.00003427251522
                   +1 :               0.00006946448974
                3d
                   -2 :              -0.00007155402312
                   -1 :               0.00001458841808
                   +0 :               0.00005984123931
                   +1 :              -0.00001637664254
                   +2 :              -0.00002663123327
             12 vec=    -7.780163      1.739256    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00002956699894
                2p
                   -1 :              -0.00000753463058
                   +0 :              -0.00001147151626
                   +1 :              -0.00004709712597
                3s
                   +0 :              -0.00025652040204
                4s
                   +0 :               0.00009694313552
                3p
                   -1 :              -0.00013989795740
                   +0 :              -0.00002779958818
                   +1 :               0.00012984790130
                4p
                   -1 :              -0.00000773625920
                   +0 :              -0.00003255876056
                   +1 :              -0.00006052907817
                3d
                   -2 :               0.00000895155944
                   -1 :               0.00002078819537
                   +0 :               0.00004282164044
                   +1 :               0.00000742688292
                   +2 :               0.00008988083250
             13 vec=     7.780163      1.739256    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00002525394085
                2p
                   -1 :               0.00000919340260
                   +0 :              -0.00000228065993
                   +1 :               0.00000501351883
                3s
                   +0 :              -0.00023856103550
                4s
                   +0 :               0.00006955981001
                3p
                   -1 :              -0.00010436744998
                   +0 :              -0.00009896783943
                   +1 :               0.00004051060512
                4p
                   -1 :               0.00002284035424
                   +0 :              -0.00000568476265
                   +1 :              -0.00001481909493
                3d
                   -2 :               0.00002113277824
                   -1 :               0.00000435391454
                   +0 :               0.00006768475203
                   +1 :              -0.00005226982300
                   +2 :               0.00006844357541
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Cr(  3)  npairs=  14
              1 vec=     0.000000     -2.752623     -2.510723   |vec|=    3.725676
                3s
                   +0 :               0.04416542248741
                3p
                   -1 :              -0.05191654853809
                   +0 :              -0.05659395462886
                   +1 :              -0.00062888794209
                4s
                   +0 :               0.03027614927030
                5s
                   +0 :               0.00452652679948
                3d
                   -2 :               0.00231350505895
                   -1 :               0.05208951921248
                   +0 :               0.03411728172020
                   +1 :               0.00102241356604
                   +2 :              -0.01561757882577
                4d
                   -2 :              -0.00176374315848
                   -1 :               0.00222768100357
                   +0 :               0.00406440326493
                   +1 :              -0.00018547571072
                   +2 :               0.00078163780803
                4p
                   -1 :              -0.00699910856371
                   +0 :              -0.02793073375365
                   +1 :               0.00245360599481
              2 vec=     0.000000      6.231135     -2.510723   |vec|=    6.717944
                3s
                   +0 :               0.00217879454746
                3p
                   -1 :               0.00319774005827
                   +0 :              -0.00133894924495
                   +1 :               0.00040223472201
                4s
                   +0 :               0.00044213904825
                5s
                   +0 :               0.00142786854138
                3d
                   -2 :               0.00086882886732
                   -1 :               0.00051629383667
                   +0 :              -0.00012383263033
                   +1 :              -0.00028896882061
                   +2 :              -0.00032952752022
                4d
                   -2 :              -0.00065934572849
                   -1 :               0.00231928747594
                   +0 :               0.00111238169395
                   +1 :               0.00024193750720
                   +2 :               0.00108931874368
                4p
                   -1 :               0.00066583173636
                   +0 :              -0.00022334179672
                   +1 :              -0.00099080674914
              3 vec=    -7.780163      1.739256     -2.510723   |vec|=    8.358210
                3s
                   +0 :               0.00108955921625
                3p
                   -1 :               0.00011698587405
                   +0 :              -0.00019204078712
                   +1 :              -0.00172578190389
                4s
                   +0 :               0.00007091877411
                5s
                   +0 :              -0.00087567136603
                3d
                   -2 :               0.00115753471443
                   -1 :               0.00101442317498
                   +0 :              -0.00033727007508
                   +1 :              -0.00074128751883
                   +2 :               0.00100046260097
                4d
                   -2 :              -0.00054107666504
                   -1 :               0.00036115618675
                   +0 :              -0.00043591606350
                   +1 :               0.00122665972099
                   +2 :               0.00031084871684
                4p
                   -1 :              -0.00094011928274
                   +0 :               0.00068959612782
                   +1 :               0.00118119241679
              4 vec=     7.780163      1.739256     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00171950062979
                3p
                   -1 :               0.00086401817868
                   +0 :              -0.00021879204942
                   +1 :              -0.00059967588514
                4s
                   +0 :               0.00388115391845
                5s
                   +0 :              -0.00030006942153
                3d
                   -2 :              -0.00081030202523
                   -1 :               0.00188936554776
                   +0 :              -0.00004971333134
                   +1 :              -0.00007135856573
                   +2 :              -0.00032094459685
                4d
                   -2 :              -0.00016579449030
                   -1 :              -0.00024215371304
                   +0 :              -0.00076669701697
                   +1 :              -0.00016405815910
                   +2 :               0.00138883773243
                4p
                   -1 :              -0.00143911429537
                   +0 :               0.00072761705181
                   +1 :               0.00191336731089
              5 vec=    -7.780163     -7.244502     -2.510723   |vec|=   10.923254
                3s
                   +0 :              -0.00033026068547
                3p
                   -1 :               0.00027615036155
                   +0 :               0.00016395812996
                   +1 :               0.00002062409205
                4s
                   +0 :               0.00076415228617
                5s
                   +0 :              -0.00004794548602
                3d
                   -2 :              -0.00018046942538
                   -1 :              -0.00051812164600
                   +0 :               0.00026729285529
                   +1 :               0.00029095126082
                   +2 :              -0.00008710155359
                4d
                   -2 :               0.00012408642434
                   -1 :               0.00006506495483
                   +0 :              -0.00031137247064
                   +1 :               0.00013872209137
                   +2 :               0.00010297564089
                4p
                   -1 :              -0.00038090254363
                   +0 :              -0.00012733073841
                   +1 :              -0.00019645338421
              6 vec=     7.780163     -7.244502     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00052868946694
                3p
                   -1 :              -0.00032396807818
                   +0 :              -0.00011363905627
                   +1 :               0.00009255398992
                4s
                   +0 :              -0.00045405458668
                5s
                   +0 :              -0.00012402997897
                3d
                   -2 :              -0.00007665450430
                   -1 :              -0.00038669311992
                   +0 :               0.00000158452702
                   +1 :              -0.00002141657073
                   +2 :              -0.00010489866057
                4d
                   -2 :              -0.00005265440944
                   -1 :              -0.00010699829721
                   +0 :              -0.00021773789988
                   +1 :              -0.00027333165828
                   +2 :               0.00029468836849
                4p
                   -1 :               0.00044635123574
                   +0 :               0.00037285466433
                   +1 :               0.00021104692306
              7 vec=     0.000000    -11.736381     -2.510723   |vec|=   12.001932
                3s
                   +0 :               0.00075387583771
                3p
                   -1 :              -0.00026996434744
                   +0 :              -0.00056557147584
                   +1 :              -0.00020604208451
                4s
                   +0 :              -0.00192643699394
                5s
                   +0 :               0.00020725355633
                3d
                   -2 :               0.00036765028888
                   -1 :               0.00066685449788
                   +0 :               0.00061864825084
                   +1 :              -0.00027802255754
                   +2 :               0.00028008253207
                4d
                   -2 :              -0.00055212477666
                   -1 :               0.00002960511264
                   +0 :               0.00012863962272
                   +1 :               0.00028397713746
                   +2 :               0.00040375804298
                4p
                   -1 :               0.00085285463771
                   +0 :              -0.00008246780650
                   +1 :               0.00023902687614
              8 vec=    -7.780163     10.723014     -2.510723   |vec|=   13.483979
                3s
                   +0 :              -0.00032794789608
                3p
                   -1 :               0.00001958202105
                   +0 :               0.00040974505488
                   +1 :               0.00035310997583
                4s
                   +0 :               0.00000393052275
                5s
                   +0 :              -0.00003174940808
                3d
                   -2 :               0.00031515162460
                   -1 :               0.00046343674135
                   +0 :              -0.00066933993277
                   +1 :              -0.00130686739784
                   +2 :              -0.00044834418373
                4d
                   -2 :               0.00002693808414
                   -1 :              -0.00006060755706
                   +0 :              -0.00012201292197
                   +1 :               0.00003062657586
                   +2 :               0.00009680038929
                4p
                   -1 :              -0.00011049221568
                   +0 :               0.00004991676545
                   +1 :              -0.00026994269478
              9 vec=     7.780163     10.723014     -2.510723   |vec|=   13.483979
                3s
                   +0 :              -0.00010740135236
                3p
                   -1 :              -0.00009002956657
                   +0 :               0.00014428043354
                   +1 :              -0.00008016097119
                4s
                   +0 :              -0.00042161494178
                5s
                   +0 :               0.00000330134608
                3d
                   -2 :               0.00002604851700
                   -1 :               0.00014612141889
                   +0 :              -0.00074419119469
                   +1 :               0.00108641922872
                   +2 :              -0.00026398630495
                4d
                   -2 :              -0.00012596199198
                   -1 :               0.00008648933349
                   +0 :              -0.00012329826892
                   +1 :               0.00017119552114
                   +2 :              -0.00025238582692
                4p
                   -1 :               0.00027390936683
                   +0 :               0.00053726752814
                   +1 :              -0.00023953989063
             10 vec=     0.000000     15.214893     -2.510723   |vec|=   15.420658
                3s
                   +0 :              -0.00006916414789
                3p
                   -1 :              -0.00005648187501
                   +0 :              -0.00000816806666
                   +1 :               0.00000327987980
                4s
                   +0 :              -0.00008477333769
                5s
                   +0 :               0.00004636865546
                3d
                   -2 :               0.00000556571830
                   -1 :              -0.00010054972304
                   +0 :              -0.00006875336399
                   +1 :               0.00006558705683
                   +2 :               0.00000602604239
                4d
                   -2 :              -0.00006297047451
                   -1 :               0.00002628668145
                   +0 :              -0.00002632676108
                   +1 :              -0.00009003350895
                   +2 :              -0.00003019793979
                4p
                   -1 :               0.00006152482431
                   +0 :               0.00005297377211
                   +1 :              -0.00003229684051
             11 vec=   -15.560325     -2.752623     -2.510723   |vec|=   16.000137
                3s
                   +0 :               0.00009100995786
                3p
                   -1 :               0.00001452083674
                   +0 :               0.00000612004145
                   +1 :              -0.00006232600506
                4s
                   +0 :               0.00002872998546
                5s
                   +0 :               0.00000873550764
                3d
                   -2 :              -0.00000809505403
                   -1 :              -0.00021832827428
                   +0 :               0.00012902932139
                   +1 :               0.00010141948436
                   +2 :              -0.00001175566362
                4d
                   -2 :              -0.00002980316261
                   -1 :              -0.00005146111716
                   +0 :               0.00001434414527
                   +1 :               0.00004636773726
                   +2 :              -0.00003710337106
                4p
                   -1 :              -0.00005276567162
                   +0 :              -0.00006586433713
                   +1 :               0.00007546703150
             12 vec=    15.560325     -2.752623     -2.510723   |vec|=   16.000137
                3s
                   +0 :               0.00004580657023
                3p
                   -1 :              -0.00000830230855
                   +0 :              -0.00004203202680
                   +1 :               0.00004915834504
                4s
                   +0 :               0.00015445308298
                5s
                   +0 :              -0.00000063059253
                3d
                   -2 :               0.00002264629303
                   -1 :              -0.00024263519255
                   +0 :               0.00005728664351
                   +1 :              -0.00022856654033
                   +2 :               0.00001016843835
                4d
                   -2 :               0.00002120445140
                   -1 :              -0.00000421185730
                   +0 :               0.00003562891932
                   +1 :               0.00005759323432
                   +2 :              -0.00000834152806
                4p
                   -1 :              -0.00004045536226
                   +0 :               0.00006919943350
                   +1 :              -0.00003166248768
             13 vec=   -15.560325      6.231135     -2.510723   |vec|=   16.948584
                3s
                   +0 :              -0.00005687410507
                3p
                   -1 :               0.00000045006324
                   +0 :               0.00001403140544
                   +1 :               0.00003329969192
                4s
                   +0 :               0.00007535042607
                5s
                   +0 :               0.00002494199066
                3d
                   -2 :              -0.00002449417352
                   -1 :               0.00011953727391
                   +0 :              -0.00003642300683
                   +1 :              -0.00003017096655
                   +2 :              -0.00002575253647
                4d
                   -2 :               0.00002387846849
                   -1 :               0.00002596253824
                   +0 :              -0.00001698265487
                   +1 :              -0.00000185112323
                   +2 :              -0.00002572985307
                4p
                   -1 :               0.00002891451675
                   +0 :               0.00001545307225
                   +1 :              -0.00004668350028
             14 vec=    15.560325      6.231135     -2.510723   |vec|=   16.948584
                3s
                   +0 :              -0.00004026547940
                3p
                   -1 :               0.00000151473159
                   +0 :               0.00005746801766
                   +1 :              -0.00002523411067
                4s
                   +0 :               0.00010153526551
                5s
                   +0 :               0.00000615681038
                3d
                   -2 :              -0.00003976204781
                   -1 :               0.00014975640966
                   +0 :              -0.00006417325961
                   +1 :               0.00009283258923
                   +2 :              -0.00007030356630
                4d
                   -2 :              -0.00000578258733
                   -1 :              -0.00000840315453
                   +0 :               0.00001166673374
                   +1 :              -0.00001674635859
                   +2 :               0.00000047844054
                4p
                   -1 :               0.00002868711560
                   +0 :              -0.00005311677935
                   +1 :               0.00003416466485
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al(  4)  npairs=  13
              1 vec=     0.000000     -2.752623     -9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00002241873092
                2p
                   -1 :              -0.00000458180270
                   +0 :               0.00003495983181
                   +1 :              -0.00013349401174
                3s
                   +0 :               0.00110076496956
                4s
                   +0 :              -0.00056025172764
                3p
                   -1 :              -0.00135806725996
                   +0 :              -0.00226861920990
                   +1 :               0.00095341911700
                4p
                   -1 :               0.00013667443224
                   +0 :               0.00091161420408
                   +1 :              -0.00045442012515
                3d
                   -2 :              -0.00031715533055
                   -1 :               0.00057728284159
                   +0 :               0.00082583870890
                   +1 :               0.00010973676876
                   +2 :               0.00039041357321
              2 vec=     0.000000      6.231135     -9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00033917321753
                2p
                   -1 :              -0.00014659537838
                   +0 :               0.00018668629741
                   +1 :              -0.00014245668242
                3s
                   +0 :               0.00107592807353
                4s
                   +0 :              -0.00063038737224
                3p
                   -1 :               0.00077020741997
                   +0 :              -0.00121874984771
                   +1 :               0.00036103354017
                4p
                   -1 :              -0.00015685234222
                   +0 :               0.00044892498976
                   +1 :               0.00012360821676
                3d
                   -2 :               0.00027618301138
                   -1 :              -0.00018537603600
                   +0 :               0.00029305883557
                   +1 :              -0.00007962307196
                   +2 :              -0.00001125686216
              3 vec=    -7.780163      1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00034755525469
                2p
                   -1 :               0.00005261457962
                   +0 :              -0.00009300084235
                   +1 :              -0.00021257569392
                3s
                   +0 :              -0.00319237821626
                4s
                   +0 :               0.00046022944526
                3p
                   -1 :              -0.00097577155601
                   +0 :               0.00075388781702
                   +1 :               0.00219525160720
                4p
                   -1 :              -0.00009013291605
                   +0 :              -0.00035407347423
                   +1 :              -0.00030108969715
                3d
                   -2 :               0.00028271016323
                   -1 :              -0.00004720362418
                   +0 :               0.00031721093876
                   +1 :              -0.00008068271438
                   +2 :              -0.00008251127280
              4 vec=     7.780163      1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00031527030803
                2p
                   -1 :              -0.00009453049132
                   +0 :              -0.00000298809932
                   +1 :               0.00016187411854
                3s
                   +0 :              -0.00314340003650
                4s
                   +0 :               0.00013431731995
                3p
                   -1 :               0.00006594363201
                   +0 :               0.00019314556089
                   +1 :              -0.00225775835817
                4p
                   -1 :              -0.00025425435133
                   +0 :              -0.00003987975882
                   +1 :               0.00017366035054
                3d
                   -2 :              -0.00042804205514
                   -1 :              -0.00000072943966
                   +0 :               0.00034556877462
                   +1 :               0.00021414246646
                   +2 :              -0.00056300204699
              5 vec=    -7.780163     -7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00016590798210
                2p
                   -1 :               0.00002579862190
                   +0 :              -0.00002589186051
                   +1 :              -0.00000840952958
                3s
                   +0 :              -0.00030474684329
                4s
                   +0 :               0.00018779791637
                3p
                   -1 :               0.00006740351590
                   +0 :               0.00004671774349
                   +1 :              -0.00020485525593
                4p
                   -1 :              -0.00003435741969
                   +0 :               0.00002822083034
                   +1 :               0.00000163812430
                3d
                   -2 :               0.00017122835984
                   -1 :               0.00000666444175
                   +0 :              -0.00004604760028
                   +1 :               0.00007219659657
                   +2 :               0.00006284053854
              6 vec=     7.780163     -7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00000512911441
                2p
                   -1 :              -0.00000707700393
                   +0 :              -0.00002419013413
                   +1 :               0.00011894164450
                3s
                   +0 :              -0.00012347062449
                4s
                   +0 :               0.00021066700154
                3p
                   -1 :               0.00017119071924
                   +0 :               0.00007400128775
                   +1 :              -0.00068350314388
                4p
                   -1 :              -0.00005266794465
                   +0 :              -0.00006759280474
                   +1 :               0.00028046070617
                3d
                   -2 :               0.00003725949379
                   -1 :               0.00004945554933
                   +0 :              -0.00002138202879
                   +1 :               0.00006521637086
                   +2 :              -0.00016271965286
              7 vec=     0.000000     -2.752623     14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00005248855517
                2p
                   -1 :              -0.00002697112635
                   +0 :              -0.00001457045136
                   +1 :              -0.00003593277432
                3s
                   +0 :               0.00000617556422
                4s
                   +0 :              -0.00000250179788
                3p
                   -1 :               0.00010273418964
                   +0 :              -0.00006348591791
                   +1 :               0.00014230066991
                4p
                   -1 :               0.00000514706056
                   +0 :               0.00001263262397
                   +1 :               0.00000654960790
                3d
                   -2 :              -0.00011838298282
                   -1 :               0.00005422410252
                   +0 :              -0.00004165441536
                   +1 :              -0.00000783024982
                   +2 :               0.00005018645589
              8 vec=     0.000000    -11.736381     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00048406950642
                2p
                   -1 :               0.00022601550940
                   +0 :               0.00007358354314
                   +1 :               0.00015743494707
                3s
                   +0 :               0.00255556344777
                4s
                   +0 :              -0.00036620340795
                3p
                   -1 :              -0.00122325164634
                   +0 :               0.00015140577309
                   +1 :              -0.00087521602635
                4p
                   -1 :               0.00014811106720
                   +0 :               0.00008204258263
                   +1 :               0.00022112030540
                3d
                   -2 :               0.00026623240616
                   -1 :              -0.00024705080375
                   +0 :              -0.00026206686592
                   +1 :               0.00012419099054
                   +2 :              -0.00028242118186
              9 vec=     0.000000      6.231135     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00010947614655
                2p
                   -1 :              -0.00001318114693
                   +0 :              -0.00002594600627
                   +1 :              -0.00002084323244
                3s
                   +0 :               0.00057612061580
                4s
                   +0 :              -0.00016147828612
                3p
                   -1 :              -0.00014822694110
                   +0 :               0.00017831935490
                   +1 :               0.00007947612918
                4p
                   -1 :               0.00000006859968
                   +0 :              -0.00003141053327
                   +1 :              -0.00002839885489
                3d
                   -2 :               0.00001447058660
                   -1 :              -0.00004694157432
                   +0 :              -0.00000442554460
                   +1 :               0.00001482324235
                   +2 :              -0.00000690598849
             10 vec=    -7.780163     10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00017596113263
                2p
                   -1 :               0.00008874195162
                   +0 :              -0.00000841146112
                   +1 :              -0.00010897249722
                3s
                   +0 :              -0.00046477945473
                4s
                   +0 :               0.00010706912996
                3p
                   -1 :              -0.00037022808175
                   +0 :              -0.00005458051666
                   +1 :               0.00038569948763
                4p
                   -1 :               0.00006075208309
                   +0 :               0.00002612673578
                   +1 :              -0.00005999546040
                3d
                   -2 :               0.00005978463436
                   -1 :               0.00000431100048
                   +0 :               0.00003101047635
                   +1 :              -0.00004468749754
                   +2 :              -0.00002370519866
             11 vec=     7.780163     10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00001617310711
                2p
                   -1 :               0.00000997265921
                   +0 :               0.00000109788320
                   +1 :               0.00000058311901
                3s
                   +0 :              -0.00003684408063
                4s
                   +0 :               0.00000740798116
                3p
                   -1 :              -0.00005743375026
                   +0 :              -0.00006921098775
                   +1 :               0.00014476543866
                4p
                   -1 :              -0.00000243583028
                   +0 :              -0.00000610905632
                   +1 :              -0.00000860042565
                3d
                   -2 :               0.00000864461715
                   -1 :               0.00000792017092
                   +0 :              -0.00002762720759
                   +1 :              -0.00002874352682
                   +2 :               0.00006961553614
             12 vec=    -7.780163      1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00009654503643
                2p
                   -1 :              -0.00003291130472
                   +0 :              -0.00001548921467
                   +1 :               0.00001570094916
                3s
                   +0 :               0.00052681847433
                4s
                   +0 :              -0.00009967572612
                3p
                   -1 :              -0.00002150916583
                   +0 :               0.00023004856171
                   +1 :              -0.00032801417305
                4p
                   -1 :              -0.00003249361428
                   +0 :              -0.00000930052625
                   +1 :               0.00006397250203
                3d
                   -2 :               0.00002737854919
                   -1 :              -0.00000503810117
                   +0 :               0.00000686008706
                   +1 :              -0.00009611383745
                   +2 :               0.00011037773350
             13 vec=     7.780163      1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00001979543971
                2p
                   -1 :              -0.00000279466724
                   +0 :               0.00001109777236
                   +1 :               0.00005944393263
                3s
                   +0 :               0.00026419355230
                4s
                   +0 :               0.00000172328882
                3p
                   -1 :              -0.00018970463127
                   +0 :               0.00007828666246
                   +1 :              -0.00007336372433
                4p
                   -1 :               0.00001362692685
                   +0 :               0.00003463289845
                   +1 :               0.00005299017334
                3d
                   -2 :              -0.00004455134933
                   -1 :              -0.00004182536281
                   +0 :              -0.00000817300137
                   +1 :               0.00002630699190
                   +2 :               0.00005136888380
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al(  5)  npairs=  15
              1 vec=    -2.593388      1.739256     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00017947847054
                2p
                   -1 :               0.00016865736895
                   +0 :               0.00011241660292
                   +1 :              -0.00020713065271
                3s
                   +0 :              -0.00020283964119
                4s
                   +0 :               0.00006681396757
                3p
                   -1 :              -0.00163537582170
                   +0 :              -0.00066686273784
                   +1 :               0.00123992768945
                4p
                   -1 :               0.00024371443900
                   +0 :               0.00027728916548
                   +1 :              -0.00030606620499
                3d
                   -2 :              -0.00025615342876
                   -1 :              -0.00018454965956
                   +0 :               0.00001262132298
                   +1 :               0.00028864050933
                   +2 :              -0.00016844819918
              2 vec=     5.186775     -2.752623     10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00039077668845
                2p
                   -1 :              -0.00004748559837
                   +0 :              -0.00015197694499
                   +1 :              -0.00027070845503
                3s
                   +0 :               0.00052242345869
                4s
                   +0 :              -0.00002470205142
                3p
                   -1 :               0.00051037475866
                   +0 :               0.00035258178193
                   +1 :               0.00130259663908
                4p
                   -1 :              -0.00000752617368
                   +0 :               0.00001322365515
                   +1 :              -0.00014089926874
                3d
                   -2 :              -0.00001541134785
                   -1 :               0.00021346951040
                   +0 :              -0.00000466251809
                   +1 :               0.00033032373158
                   +2 :               0.00018241547119
              3 vec=    -2.593388     -7.244502     10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00039938036581
                2p
                   -1 :              -0.00008306831740
                   +0 :               0.00014413745362
                   +1 :              -0.00018270285523
                3s
                   +0 :              -0.00159775267470
                4s
                   +0 :               0.00034008292395
                3p
                   -1 :               0.00021431600259
                   +0 :              -0.00082072388771
                   +1 :               0.00109533639029
                4p
                   -1 :               0.00006721533727
                   +0 :               0.00012636464140
                   +1 :              -0.00032614740533
                3d
                   -2 :              -0.00018077730871
                   -1 :               0.00011013557600
                   +0 :              -0.00006946668370
                   +1 :               0.00021149212673
                   +2 :              -0.00001731857474
              4 vec=     5.186775      6.231135     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00006820377444
                2p
                   -1 :              -0.00008353268215
                   +0 :               0.00010905121345
                   +1 :               0.00003735910454
                3s
                   +0 :               0.00286735737923
                4s
                   +0 :              -0.00045627579270
                3p
                   -1 :               0.00149168874369
                   +0 :               0.00115706155374
                   +1 :               0.00112288944486
                4p
                   -1 :              -0.00033552792143
                   +0 :              -0.00008869805717
                   +1 :               0.00000436707082
                3d
                   -2 :               0.00044247455258
                   -1 :               0.00024921719709
                   +0 :               0.00014291042872
                   +1 :               0.00043551538764
                   +2 :               0.00005759126566
              5 vec=    -2.593388      1.739256    -13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00019848030941
                2p
                   -1 :               0.00007137397790
                   +0 :              -0.00004005614144
                   +1 :              -0.00005999700330
                3s
                   +0 :              -0.00071510156489
                4s
                   +0 :               0.00018123546594
                3p
                   -1 :              -0.00019814814601
                   +0 :               0.00023362537439
                   +1 :               0.00021678238746
                4p
                   -1 :               0.00001828945371
                   +0 :              -0.00007733821665
                   +1 :              -0.00003773214913
                3d
                   -2 :               0.00001080354204
                   -1 :               0.00000692566200
                   +0 :               0.00002721583489
                   +1 :               0.00001037810166
                   +2 :               0.00007858504703
              6 vec=     5.186775     -2.752623    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00010268631240
                2p
                   -1 :               0.00001791828187
                   +0 :              -0.00007143319383
                   +1 :              -0.00000746186927
                3s
                   +0 :              -0.00059865247839
                4s
                   +0 :               0.00019329963690
                3p
                   -1 :              -0.00002917237670
                   +0 :               0.00056938457883
                   +1 :               0.00010704703254
                4p
                   -1 :               0.00002828860439
                   +0 :              -0.00018292907014
                   +1 :               0.00002028214084
                3d
                   -2 :              -0.00002057617852
                   -1 :              -0.00004531776675
                   +0 :              -0.00005846796107
                   +1 :               0.00008939662039
                   +2 :              -0.00004643715223
              7 vec=   -10.373550     -2.752623     10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00017197669789
                2p
                   -1 :              -0.00006097910972
                   +0 :               0.00005293416065
                   +1 :              -0.00006652569659
                3s
                   +0 :              -0.00124707609475
                4s
                   +0 :               0.00033235366295
                3p
                   -1 :               0.00024436420511
                   +0 :              -0.00056296923523
                   +1 :               0.00066072014585
                4p
                   -1 :              -0.00012065289845
                   +0 :               0.00011202090604
                   +1 :              -0.00015170896675
                3d
                   -2 :              -0.00001659807602
                   -1 :               0.00002390516754
                   +0 :              -0.00008753496491
                   +1 :               0.00013992988315
                   +2 :              -0.00011543379234
              8 vec=    -2.593388     10.723014     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00000035353473
                2p
                   -1 :               0.00003056669879
                   +0 :               0.00006492555114
                   +1 :               0.00000859595302
                3s
                   +0 :               0.00036090360151
                4s
                   +0 :               0.00001957097095
                3p
                   -1 :              -0.00013031096691
                   +0 :              -0.00026517779513
                   +1 :              -0.00028051587477
                4p
                   -1 :               0.00005232225234
                   +0 :               0.00011772430977
                   +1 :               0.00004881419103
                3d
                   -2 :              -0.00004365089055
                   -1 :              -0.00004741654818
                   +0 :               0.00000568284560
                   +1 :              -0.00004300746312
                   +2 :               0.00008430994663
              9 vec=    -2.593388     -7.244502    -13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00011173476206
                2p
                   -1 :              -0.00002272227779
                   +0 :               0.00005790486176
                   +1 :               0.00009839037809
                3s
                   +0 :               0.00061830053021
                4s
                   +0 :              -0.00020081707029
                3p
                   -1 :               0.00036081668890
                   +0 :              -0.00040087211389
                   +1 :              -0.00045634127743
                4p
                   -1 :              -0.00012522782471
                   +0 :               0.00011237601828
                   +1 :               0.00014611422222
                3d
                   -2 :              -0.00009080992969
                   -1 :              -0.00001925643783
                   +0 :               0.00006807496513
                   +1 :               0.00004641187588
                   +2 :              -0.00004279473996
             10 vec=     5.186775      6.231135    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00005745074240
                2p
                   -1 :              -0.00004679877141
                   +0 :               0.00000117861936
                   +1 :              -0.00002387164104
                3s
                   +0 :              -0.00058744535006
                4s
                   +0 :              -0.00005033702828
                3p
                   -1 :              -0.00029270184988
                   +0 :               0.00010833929555
                   +1 :               0.00016256209007
                4p
                   -1 :              -0.00001562787448
                   +0 :              -0.00002571546345
                   +1 :              -0.00002246449395
                3d
                   -2 :               0.00002935130018
                   -1 :               0.00002174521435
                   +0 :               0.00005435624159
                   +1 :              -0.00003434951882
                   +2 :               0.00005261309364
             11 vec=   -10.373550      6.231135     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00015223978492
                2p
                   -1 :               0.00006996634647
                   +0 :               0.00004132703395
                   +1 :              -0.00005876187887
                3s
                   +0 :              -0.00034953697975
                4s
                   +0 :               0.00012660413062
                3p
                   -1 :              -0.00029166071616
                   +0 :              -0.00011877831764
                   +1 :               0.00020667488461
                4p
                   -1 :               0.00007077634706
                   +0 :               0.00003779453935
                   +1 :              -0.00003428871642
                3d
                   -2 :               0.00003353521644
                   -1 :              -0.00003127857677
                   +0 :               0.00001421644757
                   +1 :               0.00002468838541
                   +2 :               0.00002306762263
             12 vec=     5.186775    -11.736381     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00002569604881
                2p
                   -1 :               0.00002285511605
                   +0 :              -0.00005419490985
                   +1 :              -0.00000985030453
                3s
                   +0 :              -0.00044910319473
                4s
                   +0 :              -0.00004969991455
                3p
                   -1 :               0.00007494878175
                   +0 :               0.00012689359508
                   +1 :               0.00008279506307
                4p
                   -1 :               0.00004297113185
                   +0 :              -0.00010279158300
                   +1 :              -0.00003069211847
                3d
                   -2 :              -0.00005964666777
                   -1 :               0.00001478550224
                   +0 :               0.00005563051546
                   +1 :               0.00003462235147
                   +2 :               0.00009591868460
             13 vec=    12.966938      1.739256     10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00003218580496
                2p
                   -1 :              -0.00001429072886
                   +0 :               0.00001755116378
                   +1 :               0.00004322197482
                3s
                   +0 :              -0.00012316224959
                4s
                   +0 :               0.00003887647335
                3p
                   -1 :               0.00009855106072
                   +0 :              -0.00011490033844
                   +1 :              -0.00027503705207
                4p
                   -1 :              -0.00005765160555
                   +0 :               0.00002230553217
                   +1 :               0.00010028239695
                3d
                   -2 :               0.00002871277685
                   -1 :              -0.00002328205114
                   +0 :               0.00001266387845
                   +1 :              -0.00004846253180
                   +2 :              -0.00006679646169
             14 vec=   -10.373550     -2.752623    -13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00003772765429
                2p
                   -1 :               0.00003476978878
                   +0 :               0.00000583488601
                   +1 :               0.00002801136657
                3s
                   +0 :              -0.00055810069956
                4s
                   +0 :               0.00001252667240
                3p
                   -1 :               0.00013198879699
                   +0 :               0.00010549476517
                   +1 :               0.00025364502815
                4p
                   -1 :               0.00004456730516
                   +0 :              -0.00004912529138
                   +1 :               0.00000095527574
                3d
                   -2 :              -0.00005676346791
                   -1 :               0.00001359048063
                   +0 :               0.00005107365468
                   +1 :               0.00000641621803
                   +2 :              -0.00003776563206
             15 vec=    -2.593388     10.723014    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00005200024547
                2p
                   -1 :               0.00003225920070
                   +0 :              -0.00003139295198
                   +1 :              -0.00001489267719
                3s
                   +0 :              -0.00011416121583
                4s
                   +0 :               0.00002914922267
                3p
                   -1 :              -0.00007133860510
                   +0 :               0.00015017191560
                   +1 :               0.00005117835616
                4p
                   -1 :               0.00001798703254
                   +0 :              -0.00003884413965
                   +1 :              -0.00002058476566
                3d
                   -2 :              -0.00000894024096
                   -1 :               0.00002425338583
                   +0 :              -0.00003092275544
                   +1 :               0.00000376716850
                   +2 :               0.00000444442177
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al(  6)  npairs=  13
              1 vec=    -2.593388      1.739256     -6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00147920207778
                2p
                   -1 :               0.00009513038844
                   +0 :               0.00094957006713
                   +1 :               0.00065789763980
                3s
                   +0 :               0.00169838198144
                4s
                   +0 :              -0.00225155059975
                3p
                   -1 :              -0.00737185045157
                   +0 :              -0.00034788114056
                   +1 :              -0.00677392513850
                4p
                   -1 :               0.00055114017098
                   +0 :               0.00087878447865
                   +1 :               0.00046195013793
                3d
                   -2 :               0.00090500897379
                   -1 :               0.00229141978509
                   +0 :              -0.00078436464797
                   +1 :               0.00117276927984
                   +2 :               0.00106376201417
              2 vec=     5.186775     -2.752623     -6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00015576227797
                2p
                   -1 :              -0.00002030798603
                   +0 :               0.00028282456160
                   +1 :              -0.00064668343474
                3s
                   +0 :              -0.00506998442512
                4s
                   +0 :              -0.00187147103302
                3p
                   -1 :               0.00330855741939
                   +0 :               0.00129649541031
                   +1 :               0.00193278182405
                4p
                   -1 :              -0.00029212402686
                   +0 :               0.00095400119146
                   +1 :              -0.00185597119400
                3d
                   -2 :               0.00112658386528
                   -1 :              -0.00130076709580
                   +0 :               0.00000039733441
                   +1 :              -0.00030877133211
                   +2 :               0.00134477753622
              3 vec=    -2.593388     -7.244502     -6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00113877516871
                2p
                   -1 :              -0.00079584153580
                   +0 :              -0.00000945476939
                   +1 :              -0.00072241964866
                3s
                   +0 :              -0.00272559254887
                4s
                   +0 :               0.00171078263674
                3p
                   -1 :               0.00662641822247
                   +0 :              -0.00103476447628
                   +1 :               0.00258486942162
                4p
                   -1 :              -0.00088139683651
                   +0 :              -0.00023659225514
                   +1 :              -0.00091039421575
                3d
                   -2 :              -0.00182690301763
                   -1 :              -0.00129717654548
                   +0 :               0.00153755307323
                   +1 :               0.00068743947184
                   +2 :               0.00046137710212
              4 vec=     5.186775      6.231135     -6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00070958404141
                2p
                   -1 :              -0.00031305561835
                   +0 :               0.00024115447524
                   +1 :               0.00005699890953
                3s
                   +0 :               0.00345400593323
                4s
                   +0 :              -0.00108313745659
                3p
                   -1 :               0.00172974089963
                   +0 :              -0.00121876999409
                   +1 :               0.00042607064177
                4p
                   -1 :              -0.00049847648295
                   +0 :               0.00041681896533
                   +1 :               0.00005799434737
                3d
                   -2 :               0.00013754171006
                   -1 :              -0.00005550309136
                   +0 :               0.00032185112589
                   +1 :              -0.00004846263578
                   +2 :              -0.00024107726718
              5 vec=   -10.373550     -2.752623     -6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00001080151466
                2p
                   -1 :               0.00012559108081
                   +0 :               0.00009945941350
                   +1 :               0.00001703005066
                3s
                   +0 :              -0.00001752730405
                4s
                   +0 :              -0.00023342564239
                3p
                   -1 :              -0.00073717997535
                   +0 :              -0.00040738588971
                   +1 :              -0.00024135903742
                4p
                   -1 :               0.00024769405969
                   +0 :               0.00020104529143
                   +1 :               0.00003432944077
                3d
                   -2 :               0.00013403261955
                   -1 :               0.00001344378822
                   +0 :              -0.00012952783282
                   +1 :               0.00009300567907
                   +2 :               0.00012173485566
              6 vec=    -2.593388     10.723014     -6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00088735910971
                2p
                   -1 :              -0.00026730502812
                   +0 :               0.00035914305107
                   +1 :               0.00008550736992
                3s
                   +0 :               0.00385141077058
                4s
                   +0 :              -0.00114393143533
                3p
                   -1 :               0.00163799929126
                   +0 :              -0.00243333686094
                   +1 :              -0.00051341899013
                4p
                   -1 :              -0.00023504381337
                   +0 :               0.00062760809719
                   +1 :               0.00026426456679
                3d
                   -2 :              -0.00015700061427
                   -1 :              -0.00054561638914
                   +0 :               0.00020381039156
                   +1 :               0.00006997350022
                   +2 :              -0.00014918770199
              7 vec=   -10.373550      6.231135     -6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00049555061955
                2p
                   -1 :              -0.00020790391433
                   +0 :               0.00014631328785
                   +1 :               0.00003046006436
                3s
                   +0 :               0.00210633512341
                4s
                   +0 :              -0.00065981130967
                3p
                   -1 :               0.00118073616540
                   +0 :              -0.00098137058492
                   +1 :              -0.00045561019666
                4p
                   -1 :              -0.00024334309399
                   +0 :               0.00023264915829
                   +1 :               0.00016467410849
                3d
                   -2 :               0.00000815239362
                   -1 :              -0.00011204762389
                   +0 :               0.00012510191256
                   +1 :               0.00008247075990
                   +2 :              -0.00001334300440
              8 vec=     5.186775    -11.736381     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00018285720041
                2p
                   -1 :              -0.00003650833168
                   +0 :               0.00003562919524
                   +1 :              -0.00002311298219
                3s
                   +0 :               0.00135339966443
                4s
                   +0 :              -0.00007630269672
                3p
                   -1 :               0.00030087686416
                   +0 :              -0.00051838291298
                   +1 :               0.00031168336395
                4p
                   -1 :              -0.00010579253099
                   +0 :              -0.00005723014630
                   +1 :               0.00004385822458
                3d
                   -2 :               0.00008897265857
                   -1 :               0.00003965362406
                   +0 :               0.00036169525395
                   +1 :              -0.00022821238156
                   +2 :               0.00010977166987
              9 vec=    12.966938      1.739256     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00001625796243
                2p
                   -1 :               0.00010735817107
                   +0 :               0.00004256708147
                   +1 :              -0.00004321732117
                3s
                   +0 :              -0.00043736243767
                4s
                   +0 :               0.00008591004200
                3p
                   -1 :              -0.00057878963699
                   +0 :              -0.00007853984935
                   +1 :               0.00006031605374
                4p
                   -1 :               0.00008244045676
                   +0 :               0.00004131603287
                   +1 :               0.00002827178361
                3d
                   -2 :              -0.00003191058694
                   -1 :               0.00008238992775
                   +0 :              -0.00001802062278
                   +1 :              -0.00000265292649
                   +2 :               0.00001212085827
             10 vec=    12.966938     -7.244502     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00018754039552
                2p
                   -1 :              -0.00001538837250
                   +0 :              -0.00006527100543
                   +1 :               0.00006663883182
                3s
                   +0 :              -0.00091291237382
                4s
                   +0 :               0.00022107743995
                3p
                   -1 :               0.00014124026553
                   +0 :               0.00043863445777
                   +1 :              -0.00043280756860
                4p
                   -1 :               0.00000208312513
                   +0 :              -0.00008010639767
                   +1 :               0.00008749159406
                3d
                   -2 :               0.00001768970985
                   -1 :              -0.00001499801740
                   +0 :              -0.00003176349904
                   +1 :               0.00012173823694
                   +2 :              -0.00005429499692
             11 vec=   -10.373550    -11.736381     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00000770765753
                2p
                   -1 :              -0.00000127124488
                   +0 :              -0.00002858268625
                   +1 :               0.00000496840412
                3s
                   +0 :              -0.00003543639629
                4s
                   +0 :               0.00006076579237
                3p
                   -1 :              -0.00002999072409
                   +0 :               0.00020345566712
                   +1 :               0.00000351998422
                4p
                   -1 :              -0.00001797469798
                   +0 :              -0.00008007131333
                   +1 :               0.00001733628192
                3d
                   -2 :               0.00002088828697
                   -1 :               0.00004384466138
                   +0 :              -0.00000997300516
                   +1 :              -0.00004165131692
                   +2 :              -0.00000985297379
             12 vec=     5.186775     15.214893     -6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00004062574214
                2p
                   -1 :               0.00000680211520
                   +0 :              -0.00001155156080
                   +1 :               0.00000102801938
                3s
                   +0 :               0.00022487336686
                4s
                   +0 :               0.00000079501630
                3p
                   -1 :               0.00002886337481
                   +0 :              -0.00000054982096
                   +1 :               0.00004864180199
                4p
                   -1 :               0.00002387991022
                   +0 :              -0.00002881047916
                   +1 :              -0.00000388491112
                3d
                   -2 :               0.00002593535032
                   -1 :              -0.00001944763900
                   +0 :              -0.00002297692300
                   +1 :              -0.00001095623526
                   +2 :              -0.00003039022860
             13 vec=    -2.593388    -16.228260     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00000845551684
                2p
                   -1 :               0.00003547232553
                   +0 :              -0.00003677966885
                   +1 :              -0.00002368434680
                3s
                   +0 :               0.00022516092844
                4s
                   +0 :              -0.00007043094647
                3p
                   -1 :              -0.00020223681344
                   +0 :               0.00022808666945
                   +1 :               0.00023218952262
                4p
                   -1 :               0.00008190916664
                   +0 :              -0.00005488491680
                   +1 :              -0.00001384088550
                3d
                   -2 :              -0.00003281521256
                   -1 :               0.00003090062900
                   +0 :               0.00000098755135
                   +1 :              -0.00003761368588
                   +2 :              -0.00006466637923
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al(  7)  npairs=  14
              1 vec=    -2.593388      1.739256      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00136129362648
                2p
                   -1 :              -0.00004970829173
                   +0 :              -0.00089579134959
                   +1 :               0.00072445916953
                3s
                   +0 :               0.00385708671184
                4s
                   +0 :              -0.00162766498914
                3p
                   -1 :              -0.00293755431503
                   +0 :               0.00617098574120
                   +1 :              -0.00420235862964
                4p
                   -1 :               0.00059190269144
                   +0 :              -0.00244466348898
                   +1 :               0.00041597925343
                3d
                   -2 :              -0.00088954089045
                   -1 :               0.00231083658997
                   +0 :               0.00226494127785
                   +1 :               0.00045771398826
                   +2 :              -0.00070767548532
              2 vec=     5.186775     -2.752623      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00048380278648
                2p
                   -1 :              -0.00057583422003
                   +0 :               0.00092710431297
                   +1 :              -0.00029553820607
                3s
                   +0 :              -0.00170557472673
                4s
                   +0 :              -0.00043531345458
                3p
                   -1 :               0.00395158625542
                   +0 :              -0.00423898859269
                   +1 :               0.00316315886539
                4p
                   -1 :              -0.00080201506856
                   +0 :               0.00128961614262
                   +1 :              -0.00108908759199
                3d
                   -2 :               0.00119514664993
                   -1 :               0.00110537581010
                   +0 :               0.00008631676078
                   +1 :               0.00021666296097
                   +2 :               0.00121463002470
              3 vec=    -2.593388     -7.244502      5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00011628950523
                2p
                   -1 :              -0.00095120141981
                   +0 :              -0.00019012495469
                   +1 :               0.00044577861681
                3s
                   +0 :              -0.00276943903071
                4s
                   +0 :               0.00081714814405
                3p
                   -1 :               0.00623192365315
                   +0 :              -0.00042590034641
                   +1 :              -0.00285909330637
                4p
                   -1 :              -0.00179810067235
                   +0 :               0.00012262881078
                   +1 :               0.00078775046014
                3d
                   -2 :              -0.00043220753104
                   -1 :               0.00100988191306
                   +0 :              -0.00030331343477
                   +1 :              -0.00030544456323
                   +2 :               0.00063036493885
              4 vec=     5.186775      6.231135      5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00198086366870
                2p
                   -1 :               0.00140672371575
                   +0 :               0.00016280734860
                   +1 :              -0.00020798904338
                3s
                   +0 :              -0.00514996854317
                4s
                   +0 :               0.00168150749845
                3p
                   -1 :              -0.00632403282598
                   +0 :               0.00065786282727
                   +1 :               0.00128828296500
                4p
                   -1 :               0.00151258262429
                   +0 :              -0.00076243937073
                   +1 :              -0.00003478034134
                3d
                   -2 :               0.00030365415558
                   -1 :              -0.00055908042367
                   +0 :               0.00063424944265
                   +1 :               0.00038703706180
                   +2 :               0.00111782574680
              5 vec=   -10.373550     -2.752623      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00000497870548
                2p
                   -1 :              -0.00006471116773
                   +0 :              -0.00010716727311
                   +1 :               0.00011844128513
                3s
                   +0 :              -0.00013729847307
                4s
                   +0 :              -0.00025802903495
                3p
                   -1 :               0.00047997682839
                   +0 :               0.00004285516016
                   +1 :              -0.00079782224397
                4p
                   -1 :              -0.00008829802730
                   +0 :               0.00000138528770
                   +1 :               0.00041170119389
                3d
                   -2 :              -0.00004302650083
                   -1 :               0.00008279784936
                   +0 :              -0.00003069293765
                   +1 :              -0.00002262320047
                   +2 :               0.00015972502407
              6 vec=    -2.593388     10.723014      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00021741523213
                2p
                   -1 :               0.00019486308311
                   +0 :               0.00009599175457
                   +1 :              -0.00010113127803
                3s
                   +0 :               0.00027132703132
                4s
                   +0 :               0.00015725476155
                3p
                   -1 :              -0.00010848686562
                   +0 :              -0.00015180352733
                   +1 :               0.00081743751026
                4p
                   -1 :               0.00010377837397
                   +0 :              -0.00000644662710
                   +1 :              -0.00015398521679
                3d
                   -2 :               0.00019694785074
                   -1 :              -0.00025262834644
                   +0 :              -0.00007056993475
                   +1 :               0.00014571130669
                   +2 :               0.00003932979898
              7 vec=   -10.373550      6.231135      5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00003481242569
                2p
                   -1 :               0.00004334462536
                   +0 :               0.00003171625318
                   +1 :               0.00004962191118
                3s
                   +0 :               0.00001224448904
                4s
                   +0 :               0.00003026939172
                3p
                   -1 :              -0.00028426472692
                   +0 :              -0.00012441687213
                   +1 :              -0.00019882122782
                4p
                   -1 :               0.00004097618054
                   +0 :              -0.00003922969648
                   +1 :              -0.00001361350785
                3d
                   -2 :              -0.00001644452360
                   -1 :              -0.00003539764000
                   +0 :               0.00005608863997
                   +1 :              -0.00000725388598
                   +2 :               0.00013208985282
              8 vec=     5.186775    -11.736381      5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00038629712572
                2p
                   -1 :               0.00009734553757
                   +0 :              -0.00010037627642
                   +1 :              -0.00017338441915
                3s
                   +0 :               0.00082721331241
                4s
                   +0 :              -0.00013679130329
                3p
                   -1 :              -0.00028430241554
                   +0 :               0.00033345347925
                   +1 :               0.00053899953738
                4p
                   -1 :              -0.00003070000408
                   +0 :              -0.00010747100066
                   +1 :              -0.00007545171329
                3d
                   -2 :              -0.00012692919070
                   -1 :              -0.00013633536050
                   +0 :              -0.00007909487093
                   +1 :               0.00017048088793
                   +2 :              -0.00000588390015
              9 vec=    12.966938      1.739256      5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00011653075899
                2p
                   -1 :               0.00008246318723
                   +0 :               0.00001277101530
                   +1 :               0.00000896693958
                3s
                   +0 :              -0.00062477848187
                4s
                   +0 :               0.00026171237366
                3p
                   -1 :              -0.00058775913024
                   +0 :              -0.00003386404020
                   +1 :              -0.00018048740822
                4p
                   -1 :               0.00015504858669
                   +0 :               0.00005495858014
                   +1 :               0.00011116310011
                3d
                   -2 :              -0.00005942916287
                   -1 :              -0.00001888427436
                   +0 :               0.00005495806912
                   +1 :               0.00007262396085
                   +2 :               0.00012191806848
             10 vec=    12.966938     -7.244502      5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00002063990065
                2p
                   -1 :               0.00003999733579
                   +0 :               0.00004137484390
                   +1 :              -0.00000758561805
                3s
                   +0 :              -0.00012701056158
                4s
                   +0 :              -0.00004638621525
                3p
                   -1 :              -0.00012529772976
                   +0 :              -0.00030360666971
                   +1 :              -0.00003509861137
                4p
                   -1 :               0.00006186901448
                   +0 :               0.00008733503250
                   +1 :               0.00000791338971
                3d
                   -2 :              -0.00001341231119
                   -1 :              -0.00002845683232
                   +0 :              -0.00000986811299
                   +1 :              -0.00002361819387
                   +2 :              -0.00001757461370
             11 vec=   -10.373550    -11.736381      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00001437233405
                2p
                   -1 :               0.00003377610142
                   +0 :              -0.00004253986050
                   +1 :               0.00002961733369
                3s
                   +0 :              -0.00015589955375
                4s
                   +0 :               0.00004633521713
                3p
                   -1 :              -0.00014840596114
                   +0 :               0.00017343349911
                   +1 :              -0.00005458705932
                4p
                   -1 :               0.00002539643959
                   +0 :              -0.00002171319027
                   +1 :              -0.00000181175036
                3d
                   -2 :               0.00006896980552
                   -1 :              -0.00007304180168
                   +0 :              -0.00000620231734
                   +1 :              -0.00006166711465
                   +2 :               0.00001381013292
             12 vec=     5.186775     15.214893      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00011183451109
                2p
                   -1 :               0.00009637312374
                   +0 :               0.00004365700490
                   +1 :              -0.00003288996012
                3s
                   +0 :              -0.00010577134039
                4s
                   +0 :               0.00011528603663
                3p
                   -1 :              -0.00041164691486
                   +0 :              -0.00013058048439
                   +1 :               0.00013831191808
                4p
                   -1 :               0.00012295605659
                   +0 :               0.00002754284550
                   +1 :              -0.00003259330849
                3d
                   -2 :               0.00000659905094
                   -1 :              -0.00009991450105
                   +0 :               0.00001892174478
                   +1 :               0.00000627312830
                   +2 :               0.00006797008196
             13 vec=    -2.593388    -16.228260      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00003756504423
                2p
                   -1 :              -0.00005053117154
                   +0 :              -0.00001088235558
                   +1 :              -0.00001356158711
                3s
                   +0 :              -0.00021598780622
                4s
                   +0 :               0.00009659375494
                3p
                   -1 :               0.00033031643079
                   +0 :               0.00003587502576
                   +1 :               0.00002400214627
                4p
                   -1 :              -0.00010401175822
                   +0 :               0.00000910196463
                   +1 :              -0.00002397863084
                3d
                   -2 :               0.00000380110168
                   -1 :               0.00001981576986
                   +0 :              -0.00003202049759
                   +1 :              -0.00000281541891
                   +2 :               0.00004749350624
             14 vec=    12.966938     10.723014      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00004084971858
                2p
                   -1 :              -0.00000788404137
                   +0 :              -0.00000895359672
                   +1 :               0.00000279412385
                3s
                   +0 :               0.00021274397774
                4s
                   +0 :              -0.00003822818764
                3p
                   -1 :               0.00002481607523
                   +0 :               0.00000516465285
                   +1 :              -0.00000671624885
                4p
                   -1 :              -0.00001480761572
                   +0 :               0.00001992738696
                   +1 :               0.00002365181759
                3d
                   -2 :              -0.00004624511916
                   -1 :              -0.00003134116778
                   +0 :               0.00000708505504
                   +1 :               0.00001735553564
                   +2 :               0.00003921287606
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al(  8)  npairs=  14
              1 vec=    -2.593388      1.739256     -1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02220803431937
                2p
                   -1 :               0.00601861644527
                   +0 :              -0.01505678714116
                   +1 :              -0.02232144288868
                3s
                   +0 :               0.07491571934802
                4s
                   +0 :               0.00257386500660
                3p
                   -1 :               0.00303243794151
                   +0 :              -0.03392578698464
                   +1 :              -0.05604004960043
                4p
                   -1 :               0.00287314314556
                   +0 :              -0.00642636148332
                   +1 :              -0.01012766236652
                3d
                   -2 :              -0.00932024022236
                   -1 :              -0.00545880830009
                   +0 :               0.00211811318989
                   +1 :               0.03747082889135
                   +2 :               0.03402171862731
              2 vec=     5.186775     -2.752623     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00254129406103
                2p
                   -1 :              -0.00094172443634
                   +0 :              -0.00051971320301
                   +1 :               0.00219757585366
                3s
                   +0 :              -0.00741830359776
                4s
                   +0 :               0.00329796285016
                3p
                   -1 :               0.00258582950261
                   +0 :               0.00217254008141
                   +1 :              -0.00750217676155
                4p
                   -1 :              -0.00057090253600
                   +0 :              -0.00050531921175
                   +1 :               0.00221330374376
                3d
                   -2 :               0.00157866707418
                   -1 :              -0.00091984242084
                   +0 :               0.00042918266285
                   +1 :               0.00049721023454
                   +2 :               0.00149447191016
              3 vec=    -2.593388     -7.244502     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00025570885301
                2p
                   -1 :              -0.00089754732817
                   +0 :               0.00000123957203
                   +1 :              -0.00052158985747
                3s
                   +0 :              -0.01173911565369
                4s
                   +0 :               0.00184956169892
                3p
                   -1 :               0.01428267033801
                   +0 :               0.00841285838075
                   +1 :              -0.00081034911725
                4p
                   -1 :              -0.00214275753509
                   +0 :              -0.00010910276249
                   +1 :              -0.00097648418696
                3d
                   -2 :               0.00004609711711
                   -1 :              -0.00106629006916
                   +0 :               0.00095837920592
                   +1 :              -0.00088537162066
                   +2 :               0.00268086282376
              4 vec=     5.186775      6.231135     -1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00036215258630
                2p
                   -1 :               0.00105482608853
                   +0 :               0.00035505705543
                   +1 :               0.00007429172559
                3s
                   +0 :               0.00931924251003
                4s
                   +0 :              -0.00065704719827
                3p
                   -1 :              -0.00773327763225
                   +0 :              -0.00899429217602
                   +1 :               0.00652940745018
                4p
                   -1 :               0.00138304532747
                   +0 :               0.00100368180840
                   +1 :              -0.00000511004402
                3d
                   -2 :              -0.00196148735265
                   -1 :               0.00043044882293
                   +0 :               0.00105023806487
                   +1 :              -0.00380580214449
                   +2 :               0.00274380991400
              5 vec=   -10.373550     -2.752623     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00038241508318
                2p
                   -1 :               0.00012361736435
                   +0 :              -0.00000108568573
                   +1 :               0.00008997977215
                3s
                   +0 :              -0.00350830587387
                4s
                   +0 :               0.00018694926893
                3p
                   -1 :              -0.00164649910841
                   +0 :               0.00008426089359
                   +1 :               0.00061967444740
                4p
                   -1 :               0.00023968109110
                   +0 :              -0.00001031842067
                   +1 :               0.00006296134674
                3d
                   -2 :               0.00031340971576
                   -1 :               0.00039960064499
                   +0 :              -0.00021401549466
                   +1 :               0.00013641535328
                   +2 :               0.00042487840394
              6 vec=    -2.593388     10.723014     -1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00085467985403
                2p
                   -1 :              -0.00038448211567
                   +0 :              -0.00006377146568
                   +1 :              -0.00013213516675
                3s
                   +0 :               0.00452821719011
                4s
                   +0 :              -0.00128378375072
                3p
                   -1 :               0.00338111448621
                   +0 :              -0.00093598626625
                   +1 :              -0.00006240120851
                4p
                   -1 :              -0.00071411763940
                   +0 :               0.00019210200240
                   +1 :              -0.00022624929628
                3d
                   -2 :               0.00023940677594
                   -1 :              -0.00028849558809
                   +0 :              -0.00026344470333
                   +1 :               0.00013850990162
                   +2 :              -0.00064317155615
              7 vec=   -10.373550      6.231135     -1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00015163867352
                2p
                   -1 :              -0.00005648016161
                   +0 :               0.00000195977503
                   +1 :               0.00005515323078
                3s
                   +0 :               0.00025682041061
                4s
                   +0 :               0.00003431956061
                3p
                   -1 :               0.00045575645022
                   +0 :              -0.00006751799421
                   +1 :              -0.00002340494288
                4p
                   -1 :              -0.00009390465651
                   +0 :              -0.00003724138344
                   +1 :               0.00001355553408
                3d
                   -2 :              -0.00015744078189
                   -1 :               0.00000986447984
                   +0 :              -0.00004311014590
                   +1 :               0.00008966602752
                   +2 :              -0.00014094386335
              8 vec=     5.186775    -11.736381     -1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00000973378634
                2p
                   -1 :               0.00014077039397
                   +0 :              -0.00011491943587
                   +1 :              -0.00002120600137
                3s
                   +0 :              -0.00027092183568
                4s
                   +0 :              -0.00002934517054
                3p
                   -1 :               0.00041178167849
                   +0 :               0.00293834097183
                   +1 :               0.00162293971409
                4p
                   -1 :               0.00019402918003
                   +0 :              -0.00023799088013
                   +1 :              -0.00007563652451
                3d
                   -2 :              -0.00053395156962
                   -1 :              -0.00067364270432
                   +0 :               0.00017348773017
                   +1 :               0.00002837967654
                   +2 :               0.00008849562411
              9 vec=    12.966938      1.739256     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00021600152337
                2p
                   -1 :              -0.00002098469568
                   +0 :               0.00009840274246
                   +1 :              -0.00004699126812
                3s
                   +0 :               0.00091831042941
                4s
                   +0 :              -0.00029505954848
                3p
                   -1 :               0.00029635367744
                   +0 :              -0.00078945947108
                   +1 :               0.00073959216804
                4p
                   -1 :               0.00000820502078
                   +0 :               0.00012200018038
                   +1 :              -0.00020590822636
                3d
                   -2 :               0.00015232598196
                   -1 :              -0.00012007956277
                   +0 :              -0.00001757638256
                   +1 :              -0.00031475934780
                   +2 :               0.00001497476845
             10 vec=    12.966938     -7.244502     -1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00021575272786
                2p
                   -1 :              -0.00004339076637
                   +0 :               0.00000257431075
                   +1 :               0.00003632182744
                3s
                   +0 :              -0.00110453574851
                4s
                   +0 :               0.00025231129096
                3p
                   -1 :               0.00027376718062
                   +0 :               0.00008134379666
                   +1 :              -0.00039521386173
                4p
                   -1 :              -0.00009277983631
                   +0 :              -0.00002188589047
                   +1 :               0.00004263090349
                3d
                   -2 :               0.00006734495417
                   -1 :               0.00005048071703
                   +0 :              -0.00001105804624
                   +1 :               0.00001450964726
                   +2 :              -0.00002222415680
             11 vec=   -10.373550    -11.736381     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00013273629084
                2p
                   -1 :              -0.00010556440837
                   +0 :              -0.00003730355370
                   +1 :              -0.00004489184446
                3s
                   +0 :              -0.00024435431507
                4s
                   +0 :               0.00014678877016
                3p
                   -1 :               0.00044423293867
                   +0 :               0.00045241577990
                   +1 :               0.00026528324502
                4p
                   -1 :              -0.00011484662042
                   +0 :              -0.00010161007392
                   +1 :              -0.00006534646272
                3d
                   -2 :              -0.00007864265999
                   -1 :              -0.00009655832448
                   +0 :               0.00012609322704
                   +1 :              -0.00008046881581
                   +2 :              -0.00004288616859
             12 vec=     5.186775     15.214893     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00006168500334
                2p
                   -1 :              -0.00003181928350
                   +0 :              -0.00002178794843
                   +1 :              -0.00001352289028
                3s
                   +0 :               0.00035894714504
                4s
                   +0 :              -0.00007909482932
                3p
                   -1 :               0.00010012249522
                   +0 :              -0.00001402592442
                   +1 :               0.00006033106363
                4p
                   -1 :               0.00000441283517
                   +0 :              -0.00004285937171
                   +1 :               0.00000244461716
                3d
                   -2 :               0.00005900072917
                   -1 :              -0.00001477216242
                   +0 :              -0.00003170030658
                   +1 :              -0.00003424504008
                   +2 :               0.00004376776952
             13 vec=    -2.593388    -16.228260     -1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00004673181293
                2p
                   -1 :              -0.00005114304995
                   +0 :               0.00000175626269
                   +1 :               0.00004392890134
                3s
                   +0 :               0.00017063788251
                4s
                   +0 :              -0.00000807541963
                3p
                   -1 :               0.00032062879892
                   +0 :               0.00014062609440
                   +1 :              -0.00006874172197
                4p
                   -1 :              -0.00007483732307
                   +0 :               0.00002128301751
                   +1 :              -0.00000289298837
                3d
                   -2 :              -0.00001899250920
                   -1 :              -0.00009406815852
                   +0 :               0.00004556953257
                   +1 :               0.00004303201363
                   +2 :               0.00006213407114
             14 vec=    12.966938     10.723014     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00004513502136
                2p
                   -1 :               0.00000881378807
                   +0 :              -0.00000045118279
                   +1 :               0.00001576921620
                3s
                   +0 :              -0.00010544034586
                4s
                   +0 :               0.00004218071461
                3p
                   -1 :               0.00008676300792
                   +0 :              -0.00016489238224
                   +1 :              -0.00001062955864
                4p
                   -1 :              -0.00000786211237
                   +0 :               0.00003598710226
                   +1 :               0.00000634539279
                3d
                   -2 :               0.00001345054449
                   -1 :              -0.00001893000875
                   +0 :              -0.00002170248001
                   +1 :               0.00001219102080
                   +2 :               0.00001960435539
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al(  9)  npairs=  14
              1 vec=     2.593388      1.739256     -5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00101612996847
                2p
                   -1 :               0.00014167752359
                   +0 :               0.00060569118675
                   +1 :              -0.00057476923990
                3s
                   +0 :              -0.00054937425716
                4s
                   +0 :              -0.00123811645350
                3p
                   -1 :              -0.00321706536893
                   +0 :              -0.00278219380586
                   +1 :               0.00450536585836
                4p
                   -1 :               0.00017737137978
                   +0 :               0.00176508825330
                   +1 :              -0.00066272674745
                3d
                   -2 :               0.00085475013043
                   -1 :              -0.00161089456100
                   +0 :               0.00157027346580
                   +1 :               0.00053536622158
                   +2 :              -0.00002953522289
              2 vec=    -5.186775     -2.752623     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00016740671536
                2p
                   -1 :              -0.00023422629105
                   +0 :              -0.00060148758982
                   +1 :               0.00026706035131
                3s
                   +0 :              -0.00245263898077
                4s
                   +0 :              -0.00053722352037
                3p
                   -1 :               0.00493037584034
                   +0 :               0.00299255576276
                   +1 :              -0.00204755982225
                4p
                   -1 :              -0.00032112462813
                   +0 :              -0.00127885777985
                   +1 :               0.00067638472468
                3d
                   -2 :              -0.00080760722603
                   -1 :              -0.00087766912418
                   +0 :               0.00038046657653
                   +1 :               0.00020587839574
                   +2 :               0.00265649806374
              3 vec=     2.593388     -7.244502     -5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00014844365182
                2p
                   -1 :              -0.00067513266511
                   +0 :               0.00021457470847
                   +1 :               0.00007690469279
                3s
                   +0 :               0.00093759428595
                4s
                   +0 :              -0.00000850111397
                3p
                   -1 :               0.00685145779028
                   +0 :              -0.00240827772574
                   +1 :               0.00230447854343
                4p
                   -1 :              -0.00089401514834
                   +0 :               0.00037931760174
                   +1 :              -0.00066720269771
                3d
                   -2 :               0.00247036149853
                   -1 :              -0.00073378948098
                   +0 :              -0.00011424667064
                   +1 :              -0.00094373891171
                   +2 :               0.00026507351905
              4 vec=    -5.186775      6.231135     -5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00268441850918
                2p
                   -1 :               0.00150334585291
                   +0 :              -0.00038482973959
                   +1 :              -0.00017831846573
                3s
                   +0 :              -0.00819920222448
                4s
                   +0 :               0.00219221718128
                3p
                   -1 :              -0.00675210196562
                   +0 :               0.00097388631766
                   +1 :               0.00019423984677
                4p
                   -1 :               0.00134664704604
                   +0 :               0.00045900221028
                   +1 :              -0.00010935870983
                3d
                   -2 :              -0.00018044900183
                   -1 :               0.00052015781303
                   +0 :               0.00058754333044
                   +1 :              -0.00011350576628
                   +2 :               0.00085174934189
              5 vec=    10.373550     -2.752623     -5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00018851426248
                2p
                   -1 :              -0.00006465321203
                   +0 :              -0.00005252499711
                   +1 :              -0.00003351915333
                3s
                   +0 :              -0.00127240243452
                4s
                   +0 :              -0.00017395729653
                3p
                   -1 :               0.00047842505328
                   +0 :               0.00124944628115
                   +1 :               0.00055888987678
                4p
                   -1 :              -0.00000223147544
                   +0 :              -0.00020418374112
                   +1 :              -0.00030165293038
                3d
                   -2 :              -0.00002195260741
                   -1 :              -0.00018610641616
                   +0 :              -0.00034237731028
                   +1 :               0.00024238433365
                   +2 :               0.00021701006836
              6 vec=     2.593388     10.723014     -5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00014318570657
                2p
                   -1 :               0.00008839660341
                   +0 :              -0.00001159872506
                   +1 :              -0.00000656999049
                3s
                   +0 :               0.00000693147752
                4s
                   +0 :               0.00018020715593
                3p
                   -1 :               0.00029554175779
                   +0 :              -0.00011419815260
                   +1 :              -0.00016032968081
                4p
                   -1 :               0.00007131846858
                   +0 :               0.00004195721660
                   +1 :               0.00015144266341
                3d
                   -2 :               0.00017930036022
                   -1 :              -0.00000396704250
                   +0 :              -0.00009733669086
                   +1 :              -0.00008000375856
                   +2 :              -0.00023065132014
              7 vec=    10.373550      6.231135     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00007897751200
                2p
                   -1 :              -0.00008027525862
                   +0 :              -0.00005342256737
                   +1 :               0.00010545669187
                3s
                   +0 :              -0.00050973705636
                4s
                   +0 :               0.00023245879067
                3p
                   -1 :               0.00038431776168
                   +0 :               0.00022734425962
                   +1 :              -0.00065823278675
                4p
                   -1 :              -0.00004828179429
                   +0 :              -0.00004595371358
                   +1 :               0.00018711581206
                3d
                   -2 :              -0.00011595966294
                   -1 :              -0.00001329042997
                   +0 :              -0.00000294851891
                   +1 :               0.00008144384739
                   +2 :              -0.00004139799147
              8 vec=    -5.186775    -11.736381     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00093635344695
                2p
                   -1 :               0.00021757737758
                   +0 :               0.00032935648294
                   +1 :               0.00011708803755
                3s
                   +0 :               0.00547479685614
                4s
                   +0 :              -0.00055873027168
                3p
                   -1 :              -0.00109387018041
                   +0 :              -0.00295956202272
                   +1 :              -0.00139835862032
                4p
                   -1 :               0.00011383845079
                   +0 :               0.00050170210498
                   +1 :              -0.00007509584772
                3d
                   -2 :               0.00000672854338
                   -1 :               0.00044414461514
                   +0 :               0.00038311840263
                   +1 :               0.00071597783326
                   +2 :               0.00013458030093
              9 vec=   -12.966938      1.739256     -5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00018299101223
                2p
                   -1 :               0.00004279465171
                   +0 :              -0.00010666514470
                   +1 :              -0.00011177822696
                3s
                   +0 :              -0.00125583974151
                4s
                   +0 :               0.00024509595091
                3p
                   -1 :              -0.00019976280746
                   +0 :               0.00051135301310
                   +1 :               0.00066582462293
                4p
                   -1 :               0.00003060785607
                   +0 :              -0.00009689907326
                   +1 :              -0.00012043819891
                3d
                   -2 :              -0.00004511495905
                   -1 :              -0.00012461239698
                   +0 :              -0.00002236685273
                   +1 :              -0.00016345814467
                   +2 :              -0.00007757997282
             10 vec=   -12.966938     -7.244502     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00009761005502
                2p
                   -1 :               0.00002571043375
                   +0 :              -0.00001798244044
                   +1 :               0.00007087563806
                3s
                   +0 :               0.00013406742279
                4s
                   +0 :              -0.00010168065051
                3p
                   -1 :              -0.00008757796775
                   +0 :               0.00020704501635
                   +1 :              -0.00016989075048
                4p
                   -1 :               0.00003233886262
                   +0 :              -0.00008068849614
                   +1 :               0.00007740635421
                3d
                   -2 :               0.00000930799557
                   -1 :               0.00003362220835
                   +0 :              -0.00001653354631
                   +1 :              -0.00002092726329
                   +2 :              -0.00004387006273
             11 vec=    10.373550    -11.736381     -5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00001554291454
                2p
                   -1 :              -0.00000564951819
                   +0 :               0.00002501567676
                   +1 :              -0.00002581088691
                3s
                   +0 :               0.00013853206403
                4s
                   +0 :              -0.00005975290017
                3p
                   -1 :              -0.00010314635180
                   +0 :              -0.00017983893246
                   +1 :               0.00007874425080
                4p
                   -1 :               0.00001809058589
                   +0 :               0.00001524288145
                   +1 :              -0.00003635316477
                3d
                   -2 :              -0.00004143515090
                   -1 :               0.00007095800244
                   +0 :               0.00003488650313
                   +1 :              -0.00004275292208
                   +2 :              -0.00002071654649
             12 vec=    -5.186775     15.214893     -5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00017305552749
                2p
                   -1 :               0.00009624095874
                   +0 :              -0.00005965852451
                   +1 :               0.00005107866391
                3s
                   +0 :              -0.00045316089663
                4s
                   +0 :               0.00015618152272
                3p
                   -1 :              -0.00044915163868
                   +0 :               0.00027924026351
                   +1 :              -0.00036614915171
                4p
                   -1 :               0.00011351075014
                   +0 :              -0.00006390162421
                   +1 :               0.00009460588499
                3d
                   -2 :              -0.00004096963787
                   -1 :               0.00010468115545
                   +0 :               0.00000050413855
                   +1 :               0.00004914948371
                   +2 :               0.00006502981094
             13 vec=     2.593388    -16.228260     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00005262817599
                2p
                   -1 :               0.00000030780686
                   +0 :               0.00003256083580
                   +1 :               0.00000475964460
                3s
                   +0 :               0.00066323316567
                4s
                   +0 :              -0.00006297131888
                3p
                   -1 :               0.00000139264518
                   +0 :              -0.00032639390590
                   +1 :              -0.00004997017766
                4p
                   -1 :              -0.00002210252400
                   +0 :               0.00007371149555
                   +1 :              -0.00000644805169
                3d
                   -2 :              -0.00001702659170
                   -1 :               0.00003338012291
                   +0 :               0.00002725026210
                   +1 :              -0.00007354349454
                   +2 :              -0.00003943602323
             14 vec=   -12.966938     10.723014     -5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000984977905
                2p
                   -1 :              -0.00001944543701
                   +0 :              -0.00002098495687
                   +1 :               0.00001896292597
                3s
                   +0 :              -0.00002634369035
                4s
                   +0 :              -0.00001945698460
                3p
                   -1 :               0.00015167600624
                   +0 :               0.00016615947057
                   +1 :              -0.00010898417543
                4p
                   -1 :              -0.00004947218711
                   +0 :              -0.00005061307428
                   +1 :               0.00002520616431
                3d
                   -2 :               0.00005264016217
                   -1 :              -0.00001404600167
                   +0 :              -0.00001445848393
                   +1 :               0.00000332387143
                   +2 :               0.00001266105880
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al( 10)  npairs=  14
              1 vec=     2.593388      1.739256      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02426947859044
                2p
                   -1 :               0.00706090000778
                   +0 :               0.01584167756061
                   +1 :               0.02381490391387
                3s
                   +0 :               0.07974933030200
                4s
                   +0 :               0.00517877083296
                3p
                   -1 :               0.00116517799615
                   +0 :               0.02755935444202
                   +1 :               0.06071020368508
                4p
                   -1 :               0.00335688120638
                   +0 :               0.00712654577511
                   +1 :               0.01193342780435
                3d
                   -2 :               0.01083518308017
                   -1 :               0.00488412708078
                   +0 :              -0.00089509531077
                   +1 :               0.03675093619050
                   +2 :               0.03862331238614
              2 vec=    -5.186775     -2.752623      1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00404008650600
                2p
                   -1 :              -0.00091470070330
                   +0 :               0.00000354054867
                   +1 :              -0.00316891982847
                3s
                   +0 :              -0.01676420669404
                4s
                   +0 :               0.00511490720469
                3p
                   -1 :               0.00136458941855
                   +0 :               0.00109748883069
                   +1 :               0.01439037230963
                4p
                   -1 :              -0.00070061824331
                   +0 :              -0.00044438690318
                   +1 :              -0.00420073634445
                3d
                   -2 :              -0.00106405595196
                   -1 :               0.00075013527610
                   +0 :               0.00236384511796
                   +1 :               0.00023556648684
                   +2 :               0.00137939537374
              3 vec=     2.593388     -7.244502      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00004728931820
                2p
                   -1 :              -0.00020476890933
                   +0 :              -0.00001291989284
                   +1 :               0.00072238184971
                3s
                   +0 :              -0.01145104800448
                4s
                   +0 :               0.00021302508177
                3p
                   -1 :               0.00566661267935
                   +0 :              -0.00629860256119
                   +1 :               0.00269832387279
                4p
                   -1 :              -0.00011427291097
                   +0 :               0.00067712521216
                   +1 :               0.00066426956315
                3d
                   -2 :              -0.00267977377134
                   -1 :               0.00148046415385
                   +0 :              -0.00075561181130
                   +1 :               0.00004078764921
                   +2 :               0.00094719869337
              4 vec=    -5.186775      6.231135      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00088615018004
                2p
                   -1 :               0.00060680508986
                   +0 :              -0.00020146088382
                   +1 :               0.00011863034145
                3s
                   +0 :               0.01136073236817
                4s
                   +0 :              -0.00117445655415
                3p
                   -1 :              -0.00513313970885
                   +0 :               0.00734541780723
                   +1 :              -0.00705373426003
                4p
                   -1 :               0.00077058679099
                   +0 :              -0.00062189903804
                   +1 :               0.00017138821232
                3d
                   -2 :               0.00190971529985
                   -1 :              -0.00038531503069
                   +0 :               0.00103828491663
                   +1 :              -0.00349225956734
                   +2 :               0.00245102384748
              5 vec=    10.373550     -2.752623      1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00013438483299
                2p
                   -1 :               0.00027559571929
                   +0 :               0.00026624725996
                   +1 :              -0.00002222874216
                3s
                   +0 :              -0.00137892123026
                4s
                   +0 :               0.00010612078037
                3p
                   -1 :              -0.00196943341359
                   +0 :              -0.00187953728046
                   +1 :              -0.00079037825353
                4p
                   -1 :               0.00015728523431
                   +0 :               0.00019113482909
                   +1 :               0.00007823602158
                3d
                   -2 :              -0.00034334807646
                   -1 :              -0.00024443309438
                   +0 :              -0.00017921530204
                   +1 :              -0.00035596533491
                   +2 :               0.00013500762494
              6 vec=     2.593388     10.723014      1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00088868606268
                2p
                   -1 :              -0.00033368675601
                   +0 :              -0.00008218715741
                   +1 :               0.00006771656217
                3s
                   +0 :               0.00527306689755
                4s
                   +0 :              -0.00156304733122
                3p
                   -1 :               0.00337330769712
                   +0 :               0.00104796802349
                   +1 :               0.00043128616299
                4p
                   -1 :              -0.00075731995289
                   +0 :              -0.00020899963501
                   +1 :               0.00012041249769
                3d
                   -2 :              -0.00022508187139
                   -1 :               0.00041845894472
                   +0 :              -0.00010493957430
                   +1 :               0.00042463228576
                   +2 :              -0.00064481745937
              7 vec=    10.373550      6.231135      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00022682496105
                2p
                   -1 :              -0.00007923427064
                   +0 :              -0.00019759839596
                   +1 :              -0.00015484281427
                3s
                   +0 :               0.00069625662553
                4s
                   +0 :              -0.00005382772968
                3p
                   -1 :               0.00055765993258
                   +0 :               0.00090311856141
                   +1 :               0.00065301694186
                4p
                   -1 :              -0.00013503319570
                   +0 :              -0.00010099268099
                   +1 :              -0.00015543156048
                3d
                   -2 :               0.00023524723618
                   -1 :               0.00004362333068
                   +0 :              -0.00011348071614
                   +1 :               0.00012769835566
                   +2 :              -0.00009861299542
              8 vec=    -5.186775    -11.736381      1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00040960358214
                2p
                   -1 :               0.00017803160674
                   +0 :              -0.00014240073570
                   +1 :              -0.00007017920451
                3s
                   +0 :              -0.00272496470275
                4s
                   +0 :               0.00037098606066
                3p
                   -1 :               0.00012627800016
                   +0 :              -0.00025640065192
                   +1 :              -0.00029126541309
                4p
                   -1 :               0.00018026260344
                   +0 :              -0.00011073137907
                   +1 :              -0.00013183285326
                3d
                   -2 :               0.00057716927828
                   -1 :               0.00037123496647
                   +0 :              -0.00004847370950
                   +1 :              -0.00038828890854
                   +2 :              -0.00030019581214
              9 vec=   -12.966938      1.739256      1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00022918189107
                2p
                   -1 :               0.00003545986458
                   +0 :              -0.00001975649429
                   +1 :               0.00006381924808
                3s
                   +0 :               0.00091866044289
                4s
                   +0 :              -0.00007217005843
                3p
                   -1 :              -0.00003189159040
                   +0 :               0.00034397204160
                   +1 :              -0.00035397340488
                4p
                   -1 :               0.00010438953758
                   +0 :              -0.00005242185426
                   +1 :              -0.00006210174258
                3d
                   -2 :              -0.00005290586922
                   -1 :               0.00010691907939
                   +0 :               0.00008564200693
                   +1 :              -0.00018153943019
                   +2 :              -0.00004550396775
             10 vec=   -12.966938     -7.244502      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00025642019227
                2p
                   -1 :              -0.00003929230360
                   +0 :               0.00000828004953
                   +1 :              -0.00009351449341
                3s
                   +0 :              -0.00130451871725
                4s
                   +0 :               0.00039993783957
                3p
                   -1 :               0.00027410399725
                   +0 :              -0.00005323349800
                   +1 :               0.00069730348599
                4p
                   -1 :              -0.00008830361617
                   +0 :               0.00002074820330
                   +1 :              -0.00018446797379
                3d
                   -2 :              -0.00004728413846
                   -1 :              -0.00006393081658
                   +0 :              -0.00002706426850
                   +1 :               0.00004963147186
                   +2 :              -0.00003275230662
             11 vec=    10.373550    -11.736381      1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00012651651243
                2p
                   -1 :              -0.00005230412464
                   +0 :               0.00003922466066
                   +1 :               0.00003705476020
                3s
                   +0 :              -0.00052451265367
                4s
                   +0 :               0.00018134912334
                3p
                   -1 :               0.00031981750370
                   +0 :              -0.00023341432133
                   +1 :              -0.00027795899262
                4p
                   -1 :              -0.00005639262049
                   +0 :               0.00006124323431
                   +1 :               0.00006544363326
                3d
                   -2 :               0.00011105490490
                   -1 :               0.00007307230828
                   +0 :               0.00004316096147
                   +1 :              -0.00004691855757
                   +2 :              -0.00008597547885
             12 vec=    -5.186775     15.214893      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00012506017301
                2p
                   -1 :              -0.00001706494462
                   +0 :               0.00000010342132
                   +1 :               0.00002721363484
                3s
                   +0 :               0.00062866089889
                4s
                   +0 :              -0.00003615383812
                3p
                   -1 :               0.00003495799486
                   +0 :               0.00003759778405
                   +1 :              -0.00011090324562
                4p
                   -1 :               0.00007753533865
                   +0 :               0.00001144688857
                   +1 :               0.00004548801050
                3d
                   -2 :              -0.00004319390274
                   -1 :               0.00002406889819
                   +0 :              -0.00003169269847
                   +1 :              -0.00001877450442
                   +2 :               0.00002541218190
             13 vec=     2.593388    -16.228260      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00005678808727
                2p
                   -1 :              -0.00001327956093
                   +0 :               0.00003078466592
                   +1 :              -0.00001594440713
                3s
                   +0 :              -0.00011239455498
                4s
                   +0 :               0.00004971542519
                3p
                   -1 :               0.00002218962160
                   +0 :              -0.00012368455295
                   +1 :               0.00008843465151
                4p
                   -1 :              -0.00002442538213
                   +0 :               0.00000271040897
                   +1 :              -0.00000358878034
                3d
                   -2 :              -0.00002023670913
                   -1 :               0.00005829707178
                   +0 :              -0.00002805401772
                   +1 :               0.00003927167643
                   +2 :              -0.00002270090513
             14 vec=   -12.966938     10.723014      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00002072400519
                2p
                   -1 :              -0.00000404549098
                   +0 :               0.00002220414371
                   +1 :               0.00000312426342
                3s
                   +0 :               0.00029406881855
                4s
                   +0 :              -0.00010931328034
                3p
                   -1 :               0.00016555190949
                   +0 :              -0.00007651268565
                   +1 :              -0.00010540126909
                4p
                   -1 :              -0.00002056574678
                   +0 :               0.00003481211100
                   +1 :               0.00006458623323
                3d
                   -2 :              -0.00003385574324
                   -1 :               0.00000726344579
                   +0 :              -0.00000873390404
                   +1 :               0.00003061807324
                   +2 :              -0.00001264744968
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al( 11)  npairs=  15
              1 vec=     2.593388      1.739256    -10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00016814238276
                2p
                   -1 :               0.00006734117542
                   +0 :              -0.00006997308422
                   +1 :              -0.00014154393010
                3s
                   +0 :              -0.00099013119690
                4s
                   +0 :               0.00010518952991
                3p
                   -1 :              -0.00102867296688
                   +0 :               0.00044116082714
                   +1 :               0.00142787282013
                4p
                   -1 :               0.00013600124124
                   +0 :              -0.00018378777258
                   +1 :              -0.00010657041551
                3d
                   -2 :               0.00040742584613
                   -1 :               0.00002316812158
                   +0 :               0.00016622577135
                   +1 :              -0.00021933092040
                   +2 :              -0.00025156957445
              2 vec=    -5.186775     -2.752623    -10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00067942158466
                2p
                   -1 :              -0.00032662626808
                   +0 :               0.00027666725015
                   +1 :               0.00036064903633
                3s
                   +0 :               0.00109231435461
                4s
                   +0 :              -0.00051415245349
                3p
                   -1 :               0.00275933483571
                   +0 :              -0.00098006680189
                   +1 :              -0.00174001179793
                4p
                   -1 :              -0.00040492884714
                   +0 :               0.00018236915218
                   +1 :               0.00018051583079
                3d
                   -2 :              -0.00007303657023
                   -1 :              -0.00051564096597
                   +0 :               0.00012350993676
                   +1 :               0.00050645867857
                   +2 :               0.00040234149774
              3 vec=     2.593388     -7.244502    -10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00055854301265
                2p
                   -1 :              -0.00005425234546
                   +0 :               0.00008412639636
                   +1 :               0.00004258284955
                3s
                   +0 :               0.00341867622173
                4s
                   +0 :              -0.00079198669331
                3p
                   -1 :               0.00050688372818
                   +0 :              -0.00097622289443
                   +1 :               0.00027763384581
                4p
                   -1 :               0.00018364307716
                   +0 :               0.00020608847241
                   +1 :               0.00021008901132
                3d
                   -2 :               0.00065484970418
                   -1 :              -0.00005163364395
                   +0 :              -0.00010410464155
                   +1 :               0.00016160487244
                   +2 :              -0.00007349900245
              4 vec=    -5.186775      6.231135    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00024628921392
                2p
                   -1 :              -0.00000399856325
                   +0 :              -0.00013642485635
                   +1 :               0.00006694607718
                3s
                   +0 :               0.00052441379988
                4s
                   +0 :              -0.00004460326229
                3p
                   -1 :               0.00072309127239
                   +0 :              -0.00058055803822
                   +1 :              -0.00114522998269
                4p
                   -1 :              -0.00019182530085
                   +0 :               0.00003486555830
                   +1 :               0.00008953599311
                3d
                   -2 :              -0.00029921143725
                   -1 :              -0.00011627138986
                   +0 :               0.00002302302503
                   +1 :               0.00032401072751
                   +2 :               0.00006112923183
              5 vec=     2.593388      1.739256     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00014825529702
                2p
                   -1 :               0.00003503500708
                   +0 :               0.00004184508206
                   +1 :               0.00001180680913
                3s
                   +0 :              -0.00024691334468
                4s
                   +0 :               0.00006951580834
                3p
                   -1 :              -0.00014298264840
                   +0 :              -0.00014885951129
                   +1 :              -0.00003857597116
                4p
                   -1 :              -0.00000478470256
                   +0 :               0.00002166094356
                   +1 :              -0.00003231944073
                3d
                   -2 :               0.00000017956695
                   -1 :               0.00002781727587
                   +0 :              -0.00000238964507
                   +1 :              -0.00001077337131
                   +2 :              -0.00000564515771
              6 vec=    -5.186775     -2.752623     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00000631729159
                2p
                   -1 :               0.00000842185350
                   +0 :               0.00005987492574
                   +1 :               0.00007885769576
                3s
                   +0 :              -0.00008381391835
                4s
                   +0 :               0.00006270268031
                3p
                   -1 :              -0.00005826149947
                   +0 :              -0.00036765439560
                   +1 :              -0.00048797380589
                4p
                   -1 :              -0.00001157876485
                   +0 :               0.00011309476982
                   +1 :               0.00006834794132
                3d
                   -2 :               0.00006529653459
                   -1 :               0.00000761663907
                   +0 :              -0.00006685848547
                   +1 :               0.00003107031852
                   +2 :               0.00000893879525
              7 vec=    10.373550     -2.752623    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00006904510718
                2p
                   -1 :              -0.00007720395948
                   +0 :               0.00000890216872
                   +1 :               0.00000492037949
                3s
                   +0 :              -0.00088913471949
                4s
                   +0 :               0.00023442518411
                3p
                   -1 :               0.00036424196360
                   +0 :               0.00009419567354
                   +1 :              -0.00028153821000
                4p
                   -1 :              -0.00012203196430
                   +0 :              -0.00002058428649
                   +1 :               0.00006938166059
                3d
                   -2 :               0.00000525733275
                   -1 :               0.00001115512546
                   +0 :              -0.00012143618942
                   +1 :               0.00003258209732
                   +2 :              -0.00002606573480
              8 vec=     2.593388     10.723014    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00013728451816
                2p
                   -1 :               0.00007285740826
                   +0 :              -0.00007835895258
                   +1 :               0.00005021686695
                3s
                   +0 :              -0.00038561233445
                4s
                   +0 :               0.00012678904895
                3p
                   -1 :              -0.00040312140544
                   +0 :               0.00033813155661
                   +1 :              -0.00005242159539
                4p
                   -1 :               0.00009968415894
                   +0 :              -0.00009891699395
                   +1 :               0.00000925703496
                3d
                   -2 :               0.00000593260354
                   -1 :               0.00008102135996
                   +0 :              -0.00002171363824
                   +1 :              -0.00000315295440
                   +2 :               0.00008012899122
              9 vec=     2.593388     -7.244502     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00009214192815
                2p
                   -1 :               0.00001897917743
                   +0 :              -0.00003354566368
                   +1 :              -0.00000940870757
                3s
                   +0 :               0.00016240932114
                4s
                   +0 :              -0.00005362178929
                3p
                   -1 :              -0.00005928252793
                   +0 :               0.00013094790542
                   +1 :               0.00001132318449
                4p
                   -1 :              -0.00000995953659
                   +0 :              -0.00000973647778
                   +1 :              -0.00002332842504
                3d
                   -2 :               0.00001389546194
                   -1 :               0.00001460917952
                   +0 :               0.00001390231458
                   +1 :              -0.00002897799901
                   +2 :              -0.00006035109350
             10 vec=    -5.186775      6.231135     13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00004841460726
                2p
                   -1 :              -0.00001331779433
                   +0 :              -0.00000461003440
                   +1 :               0.00001684044422
                3s
                   +0 :               0.00010937062927
                4s
                   +0 :              -0.00009613009049
                3p
                   -1 :              -0.00015092653856
                   +0 :               0.00008154963739
                   +1 :              -0.00010714284440
                4p
                   -1 :               0.00002686594627
                   +0 :              -0.00004507705701
                   +1 :               0.00001175179346
                3d
                   -2 :              -0.00003644961418
                   -1 :              -0.00003774674775
                   +0 :               0.00006919482203
                   +1 :              -0.00003430585387
                   +2 :              -0.00000711926794
             11 vec=    10.373550      6.231135    -10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00025966595309
                2p
                   -1 :               0.00004743533399
                   +0 :              -0.00007438608256
                   +1 :               0.00006177477427
                3s
                   +0 :              -0.00103724546394
                4s
                   +0 :               0.00026770711465
                3p
                   -1 :              -0.00019433168473
                   +0 :               0.00037403927944
                   +1 :              -0.00029611175722
                4p
                   -1 :               0.00004689356259
                   +0 :              -0.00008261595269
                   +1 :               0.00005046097040
                3d
                   -2 :              -0.00003092407059
                   -1 :               0.00001876818606
                   +0 :              -0.00005075705093
                   +1 :               0.00006641317180
                   +2 :              -0.00000635225502
             12 vec=    -5.186775    -11.736381    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00005407819144
                2p
                   -1 :              -0.00003496219525
                   +0 :               0.00002743010024
                   +1 :               0.00000860938937
                3s
                   +0 :               0.00063218975025
                4s
                   +0 :              -0.00018714353881
                3p
                   -1 :               0.00026319976526
                   +0 :              -0.00002209430655
                   +1 :              -0.00019844795231
                4p
                   -1 :              -0.00004776728662
                   +0 :               0.00007240098835
                   +1 :               0.00004561791424
                3d
                   -2 :              -0.00003391795910
                   -1 :              -0.00001920024847
                   +0 :               0.00017349854425
                   +1 :              -0.00005119803192
                   +2 :               0.00008354239422
             13 vec=   -12.966938      1.739256    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00003569647370
                2p
                   -1 :              -0.00004646546401
                   +0 :              -0.00000253091043
                   +1 :              -0.00000868094147
                3s
                   +0 :              -0.00026544891828
                4s
                   +0 :               0.00004873020927
                3p
                   -1 :               0.00024310175987
                   +0 :               0.00003097164308
                   +1 :               0.00010465907582
                4p
                   -1 :              -0.00008126148909
                   +0 :               0.00000874606668
                   +1 :              -0.00005729473290
                3d
                   -2 :              -0.00001851852231
                   -1 :               0.00000193470097
                   +0 :               0.00000231573835
                   +1 :              -0.00001783020550
                   +2 :              -0.00004385774675
             14 vec=    10.373550     -2.752623     13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00003458005980
                2p
                   -1 :               0.00001408076521
                   +0 :               0.00000329637822
                   +1 :              -0.00001513061426
                3s
                   +0 :              -0.00002719216025
                4s
                   +0 :              -0.00000212918489
                3p
                   -1 :              -0.00000912608769
                   +0 :              -0.00007274514691
                   +1 :              -0.00001864059472
                4p
                   -1 :               0.00002765571580
                   +0 :               0.00003998283287
                   +1 :              -0.00001177578258
                3d
                   -2 :               0.00002525903854
                   -1 :              -0.00000232379331
                   +0 :               0.00000535714216
                   +1 :               0.00001485324836
                   +2 :              -0.00003232235050
             15 vec=     2.593388     10.723014     13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00001424551748
                2p
                   -1 :               0.00002988959488
                   +0 :               0.00002797172480
                   +1 :               0.00001051298267
                3s
                   +0 :               0.00029037772923
                4s
                   +0 :              -0.00001415044018
                3p
                   -1 :               0.00005537771622
                   +0 :              -0.00006876333356
                   +1 :               0.00002171961189
                4p
                   -1 :               0.00001962738185
                   +0 :               0.00001292140147
                   +1 :               0.00002962976588
                3d
                   -2 :               0.00004412126166
                   -1 :              -0.00002452286359
                   +0 :              -0.00004735744475
                   +1 :               0.00002627283255
                   +2 :              -0.00000762146403
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site Al( 12)  npairs=  13
              1 vec=     2.593388      1.739256      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00343975957799
                2p
                   -1 :               0.00029094676941
                   +0 :              -0.00151167171947
                   +1 :              -0.00076712018510
                3s
                   +0 :               0.01127870172191
                4s
                   +0 :              -0.00454208787485
                3p
                   -1 :              -0.00884939246749
                   +0 :               0.00375362876432
                   +1 :               0.00685439547140
                4p
                   -1 :               0.00105192022917
                   +0 :              -0.00159973238370
                   +1 :              -0.00072445386774
                3d
                   -2 :              -0.00141831909121
                   -1 :              -0.00251068987802
                   +0 :              -0.00095904736079
                   +1 :               0.00068133324141
                   +2 :               0.00063744037018
              2 vec=    -5.186775     -2.752623      6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00034848802083
                2p
                   -1 :              -0.00041780020459
                   +0 :               0.00019230275491
                   +1 :               0.00062132930796
                3s
                   +0 :              -0.00296414400543
                4s
                   +0 :              -0.00109086923758
                3p
                   -1 :               0.00324005969329
                   +0 :              -0.00206710819337
                   +1 :              -0.00275648930333
                4p
                   -1 :              -0.00074655918082
                   +0 :              -0.00038075074338
                   +1 :               0.00201283807147
                3d
                   -2 :              -0.00132431009696
                   -1 :               0.00101646392024
                   +0 :               0.00010689484647
                   +1 :               0.00016235736239
                   +2 :               0.00139711204631
              3 vec=     2.593388     -7.244502      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00097044572574
                2p
                   -1 :              -0.00085263500157
                   +0 :              -0.00000458442394
                   +1 :              -0.00006335884903
                3s
                   +0 :              -0.00664765229460
                4s
                   +0 :               0.00269551681058
                3p
                   -1 :               0.00595153375119
                   +0 :              -0.00157136292461
                   +1 :               0.00039518177452
                4p
                   -1 :              -0.00188750450009
                   +0 :               0.00063306542637
                   +1 :               0.00024986854975
                3d
                   -2 :               0.00045031380351
                   -1 :               0.00073257497434
                   +0 :               0.00022414995463
                   +1 :               0.00018746363602
                   +2 :               0.00065617767540
              4 vec=    -5.186775      6.231135      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00138341671897
                2p
                   -1 :              -0.00030537494203
                   +0 :              -0.00039036259141
                   +1 :               0.00004750150698
                3s
                   +0 :               0.00598857734983
                4s
                   +0 :              -0.00169202612728
                3p
                   -1 :               0.00168046095885
                   +0 :               0.00177305757473
                   +1 :              -0.00066402577867
                4p
                   -1 :              -0.00043766992386
                   +0 :              -0.00047972509089
                   +1 :              -0.00004505682898
                3d
                   -2 :              -0.00000893381387
                   -1 :              -0.00000537665243
                   +0 :               0.00070496674912
                   +1 :              -0.00012633836517
                   +2 :              -0.00033147136766
              5 vec=    10.373550     -2.752623      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00041092133103
                2p
                   -1 :               0.00018312110462
                   +0 :              -0.00032280881350
                   +1 :              -0.00006175902144
                3s
                   +0 :               0.00169994341621
                4s
                   +0 :              -0.00077726762297
                3p
                   -1 :              -0.00110006068672
                   +0 :               0.00187324382067
                   +1 :               0.00045685410995
                4p
                   -1 :               0.00031759156341
                   +0 :              -0.00051746681826
                   +1 :              -0.00011797829349
                3d
                   -2 :              -0.00008835417869
                   -1 :              -0.00023223650315
                   +0 :               0.00012697456957
                   +1 :               0.00028051313861
                   +2 :              -0.00003691964152
              6 vec=     2.593388     10.723014      6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00039654635753
                2p
                   -1 :              -0.00001324793901
                   +0 :              -0.00012824280400
                   +1 :              -0.00001269007214
                3s
                   +0 :               0.00267369769661
                4s
                   +0 :              -0.00044877131252
                3p
                   -1 :               0.00052354507594
                   +0 :               0.00141597262844
                   +1 :               0.00010691722955
                4p
                   -1 :               0.00009027901905
                   +0 :              -0.00023926655918
                   +1 :              -0.00017514963764
                3d
                   -2 :               0.00012824169400
                   -1 :               0.00033636024526
                   +0 :               0.00019152496142
                   +1 :               0.00001825877019
                   +2 :              -0.00014564770032
              7 vec=    10.373550      6.231135      6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00001527563143
                2p
                   -1 :              -0.00002569474272
                   +0 :               0.00006956399547
                   +1 :              -0.00002160444365
                3s
                   +0 :               0.00068166686560
                4s
                   +0 :              -0.00030524338199
                3p
                   -1 :               0.00025831236251
                   +0 :              -0.00034772518790
                   +1 :               0.00060585493147
                4p
                   -1 :              -0.00009227897971
                   +0 :               0.00001816106548
                   +1 :              -0.00024954447957
                3d
                   -2 :               0.00005914554501
                   -1 :              -0.00016835997784
                   +0 :              -0.00001082920527
                   +1 :               0.00004851436435
                   +2 :               0.00005823971077
              8 vec=    -5.186775    -11.736381      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00020416547822
                2p
                   -1 :              -0.00005436545123
                   +0 :               0.00014561499768
                   +1 :              -0.00006703514652
                3s
                   +0 :              -0.00104002264808
                4s
                   +0 :               0.00035994285547
                3p
                   -1 :               0.00046510177436
                   +0 :              -0.00061222588666
                   +1 :               0.00046557728049
                4p
                   -1 :              -0.00016464677276
                   +0 :               0.00013031361828
                   +1 :              -0.00016111916461
                3d
                   -2 :              -0.00003001810917
                   -1 :               0.00004846546257
                   +0 :              -0.00009434851965
                   +1 :               0.00007751268071
                   +2 :               0.00005208259443
              9 vec=   -12.966938      1.739256      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00007352773522
                2p
                   -1 :               0.00000810355953
                   +0 :              -0.00000027576222
                   +1 :              -0.00001249500970
                3s
                   +0 :              -0.00031220746574
                4s
                   +0 :               0.00005009818937
                3p
                   -1 :              -0.00005730245003
                   +0 :               0.00008751826298
                   +1 :               0.00007823552502
                4p
                   -1 :              -0.00002976358825
                   +0 :              -0.00002422540864
                   +1 :              -0.00001885574444
                3d
                   -2 :              -0.00005652132365
                   -1 :              -0.00002995062933
                   +0 :               0.00004609256778
                   +1 :               0.00000656013685
                   +2 :               0.00004258109722
             10 vec=   -12.966938     -7.244502      6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00006255330963
                2p
                   -1 :              -0.00001388603097
                   +0 :               0.00005358833395
                   +1 :              -0.00000793893917
                3s
                   +0 :              -0.00043417971782
                4s
                   +0 :               0.00005631779639
                3p
                   -1 :               0.00006864578595
                   +0 :              -0.00029197265602
                   +1 :               0.00004076773838
                4p
                   -1 :               0.00001835550486
                   +0 :               0.00003664881503
                   +1 :              -0.00000559232775
                3d
                   -2 :              -0.00000286755105
                   -1 :               0.00003559141135
                   +0 :              -0.00003503398070
                   +1 :               0.00005806628118
                   +2 :               0.00002505550542
             11 vec=    10.373550    -11.736381      6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00008172825687
                2p
                   -1 :              -0.00001180101871
                   +0 :               0.00001271810258
                   +1 :               0.00001222086160
                3s
                   +0 :              -0.00053221803197
                4s
                   +0 :               0.00009576680408
                3p
                   -1 :               0.00007782165305
                   +0 :              -0.00016018503387
                   +1 :              -0.00012919194691
                4p
                   -1 :              -0.00001606579660
                   +0 :               0.00002375331319
                   +1 :              -0.00000382200471
                3d
                   -2 :               0.00006302211523
                   -1 :               0.00003637368233
                   +0 :              -0.00003789299080
                   +1 :              -0.00003371387099
                   +2 :               0.00002904190435
             12 vec=    -5.186775     15.214893      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00007266215591
                2p
                   -1 :               0.00000433279606
                   +0 :              -0.00001974566338
                   +1 :              -0.00002631190319
                3s
                   +0 :               0.00056929670320
                4s
                   +0 :              -0.00009876644994
                3p
                   -1 :               0.00009598795174
                   +0 :               0.00018231899363
                   +1 :               0.00011205032768
                4p
                   -1 :               0.00000657909092
                   +0 :              -0.00002578090614
                   +1 :              -0.00004131245605
                3d
                   -2 :               0.00002590812411
                   -1 :               0.00004844527200
                   +0 :               0.00001702308193
                   +1 :               0.00000460204301
                   +2 :              -0.00003368650681
             13 vec=     2.593388    -16.228260      6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00002949425414
                2p
                   -1 :               0.00000444942684
                   +0 :              -0.00001023025692
                   +1 :              -0.00003457528532
                3s
                   +0 :              -0.00016348028440
                4s
                   +0 :               0.00006833647251
                3p
                   -1 :               0.00003239735881
                   +0 :               0.00007469793328
                   +1 :               0.00027853154238
                4p
                   -1 :              -0.00000892664038
                   +0 :              -0.00000681810005
                   +1 :              -0.00007441707784
                3d
                   -2 :               0.00000304029484
                   -1 :              -0.00003562330846
                   +0 :              -0.00002895735956
                   +1 :               0.00003734424995
                   +2 :               0.00002079230390
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 13)  npairs=  12
              1 vec=     2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00436197201253
                2s
                   +0 :              -0.09218652083590
                3s
                   +0 :               0.00949087297033
                2p
                   -1 :               0.04329745495591
                   +0 :               0.00362790423131
                   +1 :              -0.03664738284815
                3p
                   -1 :              -0.00884301572689
                   +0 :              -0.00034156926575
                   +1 :               0.00883479866554
                3d
                   -2 :               0.00133536923410
                   -1 :              -0.00100977826437
                   +0 :               0.00097512110091
                   +1 :              -0.00115306062220
                   +2 :               0.00152861879049
              2 vec=    -5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00104588970649
                2s
                   +0 :              -0.00007528164970
                3s
                   +0 :               0.00509148274217
                2p
                   -1 :              -0.00842455097573
                   +0 :               0.00277613041788
                   +1 :              -0.00474651881240
                3p
                   -1 :               0.00191161842649
                   +0 :              -0.00305473756312
                   +1 :              -0.00393421439979
                3d
                   -2 :               0.00053085214925
                   -1 :               0.00035432331794
                   +0 :              -0.00045073634749
                   +1 :               0.00006540765174
                   +2 :               0.00094264823878
              3 vec=     2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00152990478356
                2s
                   +0 :               0.04890468032364
                3s
                   +0 :               0.00056596022196
                2p
                   -1 :               0.03231872719063
                   +0 :              -0.00283295341820
                   +1 :               0.01699629017056
                3p
                   -1 :               0.00334317378794
                   +0 :               0.00249427903317
                   +1 :               0.00029562815780
                3d
                   -2 :               0.00285415759717
                   -1 :               0.00070634679310
                   +0 :              -0.00179102004509
                   +1 :               0.00051839113711
                   +2 :              -0.00128614487317
              4 vec=    -5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00018330585363
                2s
                   +0 :              -0.00288495121928
                3s
                   +0 :              -0.00032761888346
                2p
                   -1 :               0.00424687129362
                   +0 :               0.00088590883287
                   +1 :               0.00305355675019
                3p
                   -1 :               0.00021141563946
                   +0 :              -0.00003772592872
                   +1 :               0.00045762977225
                3d
                   -2 :              -0.00031983702196
                   -1 :              -0.00008824458654
                   +0 :               0.00022171578579
                   +1 :              -0.00007020659639
                   +2 :               0.00015778398428
              5 vec=    10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00016354209988
                2s
                   +0 :               0.00103670439346
                3s
                   +0 :              -0.00037002436577
                2p
                   -1 :              -0.00074895568128
                   +0 :              -0.00079023230113
                   +1 :               0.00011745119120
                3p
                   -1 :               0.00016574341320
                   +0 :               0.00048160906153
                   +1 :               0.00085281984089
                3d
                   -2 :               0.00000439059407
                   -1 :              -0.00007014721418
                   +0 :              -0.00021179002429
                   +1 :               0.00003802966234
                   +2 :               0.00014280506051
              6 vec=    -5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00079641348319
                2s
                   +0 :               0.00707129637189
                3s
                   +0 :              -0.00189679527548
                2p
                   -1 :               0.00618491227375
                   +0 :              -0.00141556214791
                   +1 :              -0.00485442884483
                3p
                   -1 :              -0.00170420132118
                   +0 :               0.00077613807111
                   +1 :               0.00131606807547
                3d
                   -2 :              -0.00014751728678
                   -1 :               0.00012424087561
                   +0 :              -0.00009887205417
                   +1 :               0.00002357180454
                   +2 :              -0.00000419184690
              7 vec=     2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00006933751776
                2s
                   +0 :               0.00012134963567
                3s
                   +0 :              -0.00020740746341
                2p
                   -1 :              -0.00009098352962
                   +0 :               0.00002949081022
                   +1 :               0.00044508641070
                3p
                   -1 :               0.00028093772751
                   +0 :               0.00019034914658
                   +1 :              -0.00040820653844
                3d
                   -2 :               0.00002529764165
                   -1 :              -0.00004058373519
                   +0 :               0.00003363911142
                   +1 :               0.00001565230392
                   +2 :              -0.00000132907773
              8 vec=    10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00005092800797
                2s
                   +0 :              -0.00067838795671
                3s
                   +0 :              -0.00007923389032
                2p
                   -1 :              -0.00033465800583
                   +0 :              -0.00006692046131
                   +1 :               0.00014135611346
                3p
                   -1 :               0.00027509513706
                   +0 :               0.00004735396947
                   +1 :              -0.00037810782172
                3d
                   -2 :              -0.00000403548187
                   -1 :              -0.00001015955700
                   +0 :               0.00005657122739
                   +1 :              -0.00001899758796
                   +2 :              -0.00001122442528
              9 vec=   -13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00011293697082
                2s
                   +0 :              -0.00112219346701
                3s
                   +0 :               0.00023086769820
                2p
                   -1 :              -0.00030595452721
                   +0 :              -0.00005968340651
                   +1 :               0.00121728141182
                3p
                   -1 :               0.00016010633441
                   +0 :               0.00012669282101
                   +1 :              -0.00038369366259
                3d
                   -2 :              -0.00000464746405
                   -1 :              -0.00001656984702
                   +0 :              -0.00000113783183
                   +1 :               0.00000231135386
                   +2 :              -0.00001762496907
             10 vec=    10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00006094504032
                2s
                   +0 :               0.00075324038172
                3s
                   +0 :              -0.00016077208123
                2p
                   -1 :              -0.00022423701163
                   +0 :              -0.00005170296163
                   +1 :               0.00068360139489
                3p
                   -1 :              -0.00003898137703
                   +0 :               0.00003886077055
                   +1 :              -0.00021327449921
                3d
                   -2 :              -0.00002417184751
                   -1 :              -0.00001633836126
                   +0 :               0.00000185357682
                   +1 :               0.00002334289240
                   +2 :               0.00003029517534
             11 vec=   -13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00001071330550
                2s
                   +0 :               0.00017603008851
                3s
                   +0 :              -0.00002687955972
                2p
                   -1 :               0.00030041280007
                   +0 :               0.00004296420554
                   +1 :              -0.00032398717797
                3p
                   -1 :              -0.00024314665087
                   +0 :              -0.00010280271070
                   +1 :               0.00011927747756
                3d
                   -2 :               0.00000570880605
                   -1 :               0.00001248363066
                   +0 :              -0.00000788061268
                   +1 :              -0.00000412268572
                   +2 :               0.00000417150833
             12 vec=     2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00004835468028
                2s
                   +0 :               0.00078193944158
                3s
                   +0 :              -0.00015241313879
                2p
                   -1 :               0.00057423071214
                   +0 :               0.00011489466730
                   +1 :              -0.00001001088094
                3p
                   -1 :              -0.00017610263841
                   +0 :              -0.00017318255238
                   +1 :              -0.00000782236182
                3d
                   -2 :              -0.00000959210611
                   -1 :               0.00000476947167
                   +0 :               0.00000434260704
                   +1 :               0.00001665190956
                   +2 :               0.00003256614365
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 14)  npairs=  12
              1 vec=    -2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00467995752473
                2s
                   +0 :              -0.09501479942378
                3s
                   +0 :               0.01017084142035
                2p
                   -1 :               0.03910754208310
                   +0 :              -0.00199007240047
                   +1 :               0.03308747573689
                3p
                   -1 :              -0.00592199633789
                   +0 :               0.00319575074235
                   +1 :              -0.00576996764191
                3d
                   -2 :              -0.00143403318343
                   -1 :              -0.00008323778235
                   +0 :               0.00053435618519
                   +1 :              -0.00031341376887
                   +2 :               0.00146812194907
              2 vec=    -2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00147907700901
                2s
                   +0 :               0.04807934822257
                3s
                   +0 :               0.00069202058792
                2p
                   -1 :               0.03352929418676
                   +0 :              -0.00140653225726
                   +1 :              -0.01587892923251
                3p
                   -1 :               0.00238535159389
                   +0 :              -0.00051268661420
                   +1 :              -0.00118719970339
                3d
                   -2 :              -0.00280395130528
                   -1 :              -0.00092837412986
                   +0 :              -0.00166027562090
                   +1 :               0.00036343916193
                   +2 :              -0.00139993682359
              3 vec=     5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00139494799545
                2s
                   +0 :              -0.00196154611329
                3s
                   +0 :               0.00595497644372
                2p
                   -1 :              -0.00695440085101
                   +0 :              -0.00214544854788
                   +1 :               0.00512443620707
                3p
                   -1 :               0.00080988170578
                   +0 :               0.00170205814533
                   +1 :               0.00324920398092
                3d
                   -2 :              -0.00052035284885
                   -1 :              -0.00026006490471
                   +0 :              -0.00054149509257
                   +1 :              -0.00001100866953
                   +2 :               0.00094640437461
              4 vec=   -10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00017816151868
                2s
                   +0 :               0.00130338445652
                3s
                   +0 :              -0.00042149406615
                2p
                   -1 :              -0.00117995264793
                   +0 :              -0.00035858196246
                   +1 :              -0.00119405855203
                3p
                   -1 :               0.00064174552106
                   +0 :               0.00020068099657
                   +1 :              -0.00000085356744
                3d
                   -2 :              -0.00012338181192
                   -1 :              -0.00002498432814
                   +0 :              -0.00013312366792
                   +1 :               0.00010792920401
                   +2 :               0.00010309810038
              5 vec=     5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00033975533182
                2s
                   +0 :              -0.00419273791091
                3s
                   +0 :               0.00001243507347
                2p
                   -1 :               0.00428608892864
                   +0 :               0.00025876401498
                   +1 :              -0.00402919412182
                3p
                   -1 :               0.00032836957608
                   +0 :              -0.00008880853258
                   +1 :               0.00038258738718
                3d
                   -2 :               0.00033788698470
                   -1 :               0.00004637237069
                   +0 :               0.00019987757674
                   +1 :              -0.00002171135228
                   +2 :               0.00025747868367
              6 vec=     5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00085519731516
                2s
                   +0 :               0.00744080713969
                3s
                   +0 :              -0.00198724677039
                2p
                   -1 :               0.00686484163851
                   +0 :               0.00044966758355
                   +1 :               0.00485168720348
                3p
                   -1 :              -0.00210635319782
                   +0 :              -0.00095840487122
                   +1 :              -0.00127447043301
                3d
                   -2 :               0.00014434075234
                   -1 :              -0.00006792832861
                   +0 :              -0.00007229365459
                   +1 :               0.00006820593622
                   +2 :              -0.00003216190841
              7 vec=   -10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00011073987278
                2s
                   +0 :              -0.00096553435263
                3s
                   +0 :               0.00012462146177
                2p
                   -1 :              -0.00019141721551
                   +0 :              -0.00005707332177
                   +1 :              -0.00024209076310
                3p
                   -1 :               0.00021729324254
                   +0 :               0.00005206382237
                   +1 :               0.00042695729535
                3d
                   -2 :               0.00001257622603
                   -1 :               0.00002300160056
                   +0 :               0.00003963643671
                   +1 :              -0.00001126517222
                   +2 :              -0.00000429036662
              8 vec=    -2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00003407202903
                2s
                   +0 :              -0.00007792181193
                3s
                   +0 :              -0.00001108892047
                2p
                   -1 :              -0.00009685768083
                   +0 :               0.00010921164512
                   +1 :              -0.00082905685286
                3p
                   -1 :               0.00015676963523
                   +0 :               0.00021056844485
                   +1 :               0.00083494166658
                3d
                   -2 :              -0.00004572987812
                   -1 :              -0.00006052427355
                   +0 :               0.00003602440977
                   +1 :               0.00004726213679
                   +2 :              -0.00005903613241
              9 vec=   -10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00001774723144
                2s
                   +0 :               0.00047777442739
                3s
                   +0 :              -0.00002737914501
                2p
                   -1 :              -0.00035658691537
                   +0 :               0.00005821532716
                   +1 :              -0.00054182984175
                3p
                   -1 :               0.00004930540081
                   +0 :              -0.00003623497923
                   +1 :               0.00010358090853
                3d
                   -2 :               0.00001964361259
                   -1 :              -0.00000512648311
                   +0 :               0.00001299291226
                   +1 :               0.00001169390876
                   +2 :               0.00000850275242
             10 vec=    13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00010786163552
                2s
                   +0 :              -0.00109570608147
                3s
                   +0 :               0.00015720512093
                2p
                   -1 :              -0.00025858651690
                   +0 :               0.00008076633680
                   +1 :              -0.00096955547745
                3p
                   -1 :               0.00014157450507
                   +0 :              -0.00005531846298
                   +1 :               0.00019665583121
                3d
                   -2 :               0.00000920457184
                   -1 :               0.00001583599490
                   +0 :              -0.00000990646772
                   +1 :              -0.00001675745124
                   +2 :              -0.00001921948980
             11 vec=    -2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00003580497025
                2s
                   +0 :               0.00068617856238
                3s
                   +0 :              -0.00007959486249
                2p
                   -1 :               0.00038124748286
                   +0 :              -0.00025882825475
                   +1 :               0.00008027617085
                3p
                   -1 :               0.00000488218843
                   +0 :               0.00015702874659
                   +1 :              -0.00005453115196
                3d
                   -2 :               0.00000118657295
                   -1 :              -0.00000800974533
                   +0 :              -0.00000075793377
                   +1 :               0.00001611985299
                   +2 :               0.00002535542595
             12 vec=    13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00001885721896
                2s
                   +0 :               0.00020322980850
                3s
                   +0 :              -0.00006482605552
                2p
                   -1 :               0.00025095344682
                   +0 :              -0.00001937790127
                   +1 :               0.00048009542526
                3p
                   -1 :              -0.00022882689059
                   +0 :              -0.00007522684575
                   +1 :              -0.00026225142288
                3d
                   -2 :              -0.00001141560125
                   -1 :               0.00001425756207
                   +0 :               0.00002196564577
                   +1 :              -0.00000682896503
                   +2 :               0.00000108420869
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 15)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00605755483920
                2s
                   +0 :               0.05577804527177
                3s
                   +0 :              -0.01497792786289
                2p
                   -1 :               0.89424279121302
                   +0 :               0.02393008642587
                   +1 :               0.00064081306629
                3p
                   -1 :              -0.04421348187040
                   +0 :              -0.00720150664953
                   +1 :              -0.00162738041178
                3d
                   -2 :               0.00013668364860
                   -1 :               0.00311273210507
                   +0 :              -0.00144191980876
                   +1 :               0.00171193297831
                   +2 :               0.00252803704982
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000824323302
                2s
                   +0 :              -0.00106452185239
                3s
                   +0 :              -0.00065930769894
                2p
                   -1 :              -0.00146921143288
                   +0 :              -0.00094757628135
                   +1 :               0.00169615674817
                3p
                   -1 :               0.00051039423294
                   +0 :               0.00103083695210
                   +1 :               0.00105434687447
                3d
                   -2 :               0.00011470445015
                   -1 :              -0.00006582497344
                   +0 :               0.00014680945513
                   +1 :              -0.00003110657739
                   +2 :              -0.00031291989207
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00001394137521
                2s
                   +0 :              -0.00039872544384
                3s
                   +0 :               0.00023224875035
                2p
                   -1 :              -0.00181316638937
                   +0 :               0.00020040609582
                   +1 :              -0.00065695508675
                3p
                   -1 :               0.00071202921279
                   +0 :              -0.00037166419405
                   +1 :              -0.00013884846534
                3d
                   -2 :              -0.00004270523949
                   -1 :               0.00006209779029
                   +0 :               0.00003177937042
                   +1 :               0.00009868170128
                   +2 :              -0.00003043460145
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008748206029
                2s
                   +0 :              -0.00009910392052
                3s
                   +0 :               0.00006315438502
                2p
                   -1 :               0.00660171231078
                   +0 :               0.00100899081694
                   +1 :               0.00102183689591
                3p
                   -1 :              -0.00289422289858
                   +0 :               0.00010687567396
                   +1 :              -0.00077374944318
                3d
                   -2 :              -0.00001209672904
                   -1 :              -0.00000173972319
                   +0 :               0.00009808155178
                   +1 :               0.00001641014094
                   +2 :              -0.00010677426482
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00062291647550
                2s
                   +0 :               0.00303244097868
                3s
                   +0 :              -0.00012367281679
                2p
                   -1 :               0.00079279429425
                   +0 :               0.00031341598749
                   +1 :              -0.00063317978626
                3p
                   -1 :               0.00162057414300
                   +0 :               0.00007049518996
                   +1 :               0.00049092020322
                3d
                   -2 :               0.00005856090106
                   -1 :               0.00009563526440
                   +0 :              -0.00022238961393
                   +1 :              -0.00021772726323
                   +2 :               0.00006784632185
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00007792145789
                2s
                   +0 :              -0.00112001032390
                3s
                   +0 :              -0.00063359874066
                2p
                   -1 :              -0.00049203072546
                   +0 :               0.00129510543382
                   +1 :              -0.00146707237118
                3p
                   -1 :              -0.00046638465184
                   +0 :              -0.00104354298861
                   +1 :              -0.00103584968776
                3d
                   -2 :              -0.00012686416000
                   -1 :              -0.00002343284475
                   +0 :               0.00009568801104
                   +1 :               0.00005277822399
                   +2 :              -0.00030803561356
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00031146461415
                2s
                   +0 :              -0.00224191086397
                3s
                   +0 :               0.00135650705739
                2p
                   -1 :              -0.00319226840539
                   +0 :               0.00037350576241
                   +1 :              -0.00033335360378
                3p
                   -1 :               0.00197751057978
                   +0 :              -0.00033221948188
                   +1 :               0.00120047745867
                3d
                   -2 :               0.00015451479503
                   -1 :              -0.00015493810699
                   +0 :               0.00007544635548
                   +1 :              -0.00003589614196
                   +2 :               0.00002061674828
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000136141788
                2s
                   +0 :               0.00001290086669
                3s
                   +0 :              -0.00002586149543
                2p
                   -1 :              -0.00014168603199
                   +0 :              -0.00005805936692
                   +1 :              -0.00027272049357
                3p
                   -1 :               0.00000930235558
                   +0 :               0.00002859225063
                   +1 :               0.00009436866668
                3d
                   -2 :              -0.00000746055753
                   -1 :               0.00000261349970
                   +0 :              -0.00000475642401
                   +1 :               0.00000165583227
                   +2 :               0.00001464342981
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00008053185387
                2s
                   +0 :              -0.00085056857758
                3s
                   +0 :               0.00023747236119
                2p
                   -1 :               0.00100592215382
                   +0 :               0.00035603569167
                   +1 :               0.00042148874342
                3p
                   -1 :              -0.00020183495094
                   +0 :              -0.00008423983892
                   +1 :              -0.00017447849699
                3d
                   -2 :              -0.00002260881347
                   -1 :               0.00000045245811
                   +0 :               0.00002585199405
                   +1 :               0.00000176868912
                   +2 :               0.00003613601326
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00007176405113
                2s
                   +0 :               0.00114137478612
                3s
                   +0 :              -0.00011228733241
                2p
                   -1 :               0.00101080745704
                   +0 :              -0.00009747566521
                   +1 :              -0.00051288041200
                3p
                   -1 :              -0.00025967158092
                   +0 :               0.00010904354828
                   +1 :               0.00013573716563
                3d
                   -2 :              -0.00001962626075
                   -1 :               0.00000346325394
                   +0 :              -0.00000246089616
                   +1 :              -0.00001057052364
                   +2 :               0.00000745663734
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00010915085248
                2s
                   +0 :              -0.00108605164573
                3s
                   +0 :               0.00022022676798
                2p
                   -1 :               0.00115559657858
                   +0 :               0.00003985912963
                   +1 :              -0.00057593551686
                3p
                   -1 :              -0.00024343090775
                   +0 :               0.00013440894270
                   +1 :               0.00019089165462
                3d
                   -2 :               0.00002920759942
                   -1 :               0.00001535476175
                   +0 :               0.00001348741232
                   +1 :               0.00001425831672
                   +2 :               0.00003324109187
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003785269418
                2s
                   +0 :               0.00087452969300
                3s
                   +0 :               0.00000917738913
                2p
                   -1 :               0.00086833204813
                   +0 :               0.00008561949894
                   +1 :               0.00035985986756
                3p
                   -1 :              -0.00016676844987
                   +0 :              -0.00015277641265
                   +1 :               0.00000894554465
                3d
                   -2 :               0.00003324227832
                   -1 :              -0.00001496188692
                   +0 :               0.00001411806125
                   +1 :              -0.00004341448440
                   +2 :               0.00000715513357
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001574776698
                2s
                   +0 :              -0.00014987998429
                3s
                   +0 :              -0.00000929477613
                2p
                   -1 :              -0.00025183549929
                   +0 :              -0.00006510590905
                   +1 :               0.00023017004891
                3p
                   -1 :               0.00010788916959
                   +0 :               0.00001896809054
                   +1 :              -0.00012699310622
                3d
                   -2 :               0.00001055064993
                   -1 :              -0.00001623666708
                   +0 :               0.00000882031766
                   +1 :               0.00000618029882
                   +2 :              -0.00001341521432
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001357619726
                2s
                   +0 :              -0.00015200914149
                3s
                   +0 :               0.00004454436519
                2p
                   -1 :               0.00003521978526
                   +0 :              -0.00001669454404
                   +1 :               0.00009543827319
                3p
                   -1 :               0.00001773720626
                   +0 :               0.00003539926418
                   +1 :              -0.00003773222206
                3d
                   -2 :               0.00000201020534
                   -1 :              -0.00000202567049
                   +0 :              -0.00000120607112
                   +1 :               0.00000119929326
                   +2 :               0.00000557968475
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000185925239
                2s
                   +0 :               0.00007463178205
                3s
                   +0 :               0.00001303123996
                2p
                   -1 :              -0.00000934740993
                   +0 :               0.00004251680485
                   +1 :              -0.00010776321813
                3p
                   -1 :               0.00003258871056
                   +0 :              -0.00001972936266
                   +1 :               0.00000333949997
                3d
                   -2 :              -0.00000083366125
                   -1 :               0.00000114108504
                   +0 :              -0.00000271383344
                   +1 :              -0.00000062502903
                   +2 :              -0.00000133917503
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00003255584852
                2s
                   +0 :               0.00027981252505
                3s
                   +0 :              -0.00007742538230
                2p
                   -1 :               0.00016316120711
                   +0 :               0.00007541782140
                   +1 :               0.00009506252869
                3p
                   -1 :              -0.00010025592488
                   +0 :               0.00001360881329
                   +1 :              -0.00007550838544
                3d
                   -2 :               0.00000178852447
                   -1 :               0.00000196810342
                   +0 :               0.00000732257337
                   +1 :              -0.00000460558009
                   +2 :               0.00000641385170
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002031096249
                2s
                   +0 :               0.00019876802935
                3s
                   +0 :              -0.00003132522383
                2p
                   -1 :               0.00005658663136
                   +0 :              -0.00001351564303
                   +1 :              -0.00002906542720
                3p
                   -1 :               0.00002724320506
                   +0 :              -0.00001220880008
                   +1 :               0.00003067794660
                3d
                   -2 :               0.00000339369027
                   -1 :              -0.00000617739069
                   +0 :               0.00000002942685
                   +1 :               0.00000097639969
                   +2 :               0.00000270932504
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002165408985
                2s
                   +0 :              -0.00021661306870
                3s
                   +0 :               0.00004873916369
                2p
                   -1 :               0.00012462116073
                   +0 :               0.00002503892542
                   +1 :              -0.00008568940875
                3p
                   -1 :              -0.00004666002267
                   +0 :              -0.00001096489760
                   +1 :               0.00001508809889
                3d
                   -2 :              -0.00000347893209
                   -1 :               0.00000043252776
                   +0 :              -0.00000171802299
                   +1 :               0.00000565416439
                   +2 :               0.00000295472475
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000356937552
                2s
                   +0 :               0.00006411408559
                3s
                   +0 :              -0.00000024545168
                2p
                   -1 :              -0.00001526742562
                   +0 :               0.00001623720308
                   +1 :               0.00009212331918
                3p
                   -1 :               0.00003189062488
                   +0 :              -0.00001497783621
                   +1 :               0.00000123942484
                3d
                   -2 :              -0.00000162912472
                   -1 :               0.00000352011388
                   +0 :              -0.00000230412580
                   +1 :              -0.00000017213929
                   +2 :               0.00000008618087
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 16)  npairs=  14
              1 vec=    -2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00002737286678
                2s
                   +0 :              -0.00031038392902
                3s
                   +0 :              -0.00004138968690
                2p
                   -1 :               0.00056373276506
                   +0 :              -0.00041659816152
                   +1 :              -0.00012100877660
                3p
                   -1 :              -0.00028398796605
                   +0 :               0.00051959834444
                   +1 :              -0.00022044984282
                3d
                   -2 :              -0.00002969464152
                   -1 :               0.00001294850751
                   +0 :              -0.00006214093349
                   +1 :               0.00003994622429
                   +2 :               0.00001910000397
              2 vec=    -2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008082737197
                2s
                   +0 :              -0.00048462162636
                3s
                   +0 :               0.00033472191578
                2p
                   -1 :               0.00010092105560
                   +0 :              -0.00045604383947
                   +1 :              -0.00005474636950
                3p
                   -1 :              -0.00007287862721
                   +0 :               0.00058918238910
                   +1 :              -0.00009355696210
                3d
                   -2 :               0.00002438441030
                   -1 :              -0.00000861376111
                   +0 :               0.00007689477611
                   +1 :              -0.00002240290131
                   +2 :               0.00000587326610
              3 vec=     5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013593057975
                2s
                   +0 :              -0.00143817431958
                3s
                   +0 :               0.00026402622294
                2p
                   -1 :              -0.00076782500319
                   +0 :               0.00095605897841
                   +1 :               0.00038926922032
                3p
                   -1 :               0.00012735000706
                   +0 :              -0.00046852240219
                   +1 :              -0.00014623810075
                3d
                   -2 :              -0.00001705642514
                   -1 :               0.00005591650859
                   +0 :               0.00001558529481
                   +1 :              -0.00000960366273
                   +2 :               0.00002718018020
              4 vec=     5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00007401170350
                2s
                   +0 :               0.00074299927056
                3s
                   +0 :              -0.00010547791609
                2p
                   -1 :              -0.00097123963573
                   +0 :               0.00030355880007
                   +1 :               0.00028271573370
                3p
                   -1 :               0.00038308804323
                   +0 :              -0.00010293634658
                   +1 :               0.00000073865264
                3d
                   -2 :              -0.00000253074490
                   -1 :              -0.00001977341516
                   +0 :               0.00003010970377
                   +1 :               0.00000952350634
                   +2 :              -0.00000475306050
              5 vec=    -2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001764055486
                2s
                   +0 :               0.00006613225062
                3s
                   +0 :               0.00007039784960
                2p
                   -1 :               0.00026728378986
                   +0 :              -0.00024902024287
                   +1 :               0.00014326450310
                3p
                   -1 :              -0.00017465107515
                   +0 :               0.00001819043732
                   +1 :              -0.00004228976633
                3d
                   -2 :              -0.00000033080433
                   -1 :              -0.00000928811971
                   +0 :               0.00000319527398
                   +1 :              -0.00001334174181
                   +2 :               0.00001348333316
              6 vec=    -2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004565439953
                2s
                   +0 :               0.00050485045495
                3s
                   +0 :              -0.00002128316770
                2p
                   -1 :               0.00002535596578
                   +0 :               0.00012691202464
                   +1 :              -0.00000454692899
                3p
                   -1 :               0.00010026206340
                   +0 :               0.00016782838911
                   +1 :               0.00005978157198
                3d
                   -2 :               0.00001226404015
                   -1 :               0.00003124177092
                   +0 :              -0.00000808618296
                   +1 :               0.00001813707163
                   +2 :              -0.00001516967515
              7 vec=     5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000442937963
                2s
                   +0 :              -0.00000492863786
                3s
                   +0 :               0.00001671077613
                2p
                   -1 :               0.00028348991419
                   +0 :              -0.00030926594132
                   +1 :               0.00054378061590
                3p
                   -1 :              -0.00009292107961
                   +0 :               0.00023987773078
                   +1 :              -0.00038225705133
                3d
                   -2 :               0.00000653738924
                   -1 :              -0.00000562996528
                   +0 :               0.00000434373526
                   +1 :               0.00002093389278
                   +2 :              -0.00001219497243
              8 vec=     5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00001273923873
                2s
                   +0 :               0.00007309004118
                3s
                   +0 :              -0.00008378735550
                2p
                   -1 :              -0.00005362417490
                   +0 :               0.00009538420070
                   +1 :               0.00017055245590
                3p
                   -1 :               0.00002370538570
                   +0 :              -0.00007081940931
                   +1 :              -0.00012734665531
                3d
                   -2 :               0.00000465501814
                   -1 :               0.00001708031732
                   +0 :              -0.00000813952240
                   +1 :              -0.00000259247181
                   +2 :              -0.00000483017472
              9 vec=   -10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000626862840
                2s
                   +0 :              -0.00019520205179
                3s
                   +0 :              -0.00002018046228
                2p
                   -1 :               0.00015897838080
                   +0 :               0.00000815886730
                   +1 :              -0.00014053797634
                3p
                   -1 :              -0.00019545618773
                   +0 :               0.00003815647525
                   +1 :               0.00014850149194
                3d
                   -2 :               0.00000255844229
                   -1 :               0.00000998058490
                   +0 :              -0.00000656324630
                   +1 :              -0.00001744172224
                   +2 :               0.00000195153237
             10 vec=   -10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001084015208
                2s
                   +0 :              -0.00002964644252
                3s
                   +0 :               0.00003870369799
                2p
                   -1 :               0.00012216016596
                   +0 :              -0.00014301296202
                   +1 :              -0.00005461809680
                3p
                   -1 :              -0.00015782709184
                   +0 :               0.00009819568994
                   +1 :               0.00000050485900
                3d
                   -2 :               0.00000594945939
                   -1 :              -0.00001782236309
                   +0 :               0.00001143397967
                   +1 :              -0.00000672090294
                   +2 :               0.00001258238528
             11 vec=    -2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00010442031740
                2s
                   +0 :               0.00103382689333
                3s
                   +0 :              -0.00012357657224
                2p
                   -1 :              -0.00014651306082
                   +0 :              -0.00028370411483
                   +1 :              -0.00033648634404
                3p
                   -1 :               0.00007476951685
                   +0 :              -0.00001229489228
                   +1 :               0.00004826974367
                3d
                   -2 :               0.00001465500791
                   -1 :               0.00002010158595
                   +0 :               0.00000205814891
                   +1 :               0.00003311458322
                   +2 :               0.00000209699687
             12 vec=    -2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002115631901
                2s
                   +0 :              -0.00027359514581
                3s
                   +0 :              -0.00001213700103
                2p
                   -1 :               0.00012386692899
                   +0 :              -0.00000297635916
                   +1 :               0.00002290283355
                3p
                   -1 :              -0.00006008127195
                   +0 :              -0.00013732947757
                   +1 :              -0.00003821698250
                3d
                   -2 :               0.00000911923610
                   -1 :              -0.00000282501641
                   +0 :              -0.00002989825547
                   +1 :               0.00000473701991
                   +2 :              -0.00000201048585
             13 vec=   -10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002698470685
                2s
                   +0 :              -0.00020000967623
                3s
                   +0 :               0.00006649075429
                2p
                   -1 :               0.00012812724152
                   +0 :               0.00003958404908
                   +1 :               0.00007426997408
                3p
                   -1 :               0.00003072376753
                   +0 :              -0.00000617720078
                   +1 :              -0.00006522311151
                3d
                   -2 :              -0.00000864432269
                   -1 :              -0.00000224961228
                   +0 :              -0.00000287509253
                   +1 :               0.00000527010524
                   +2 :               0.00001042979856
             14 vec=   -10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000340114945
                2s
                   +0 :              -0.00008684207264
                3s
                   +0 :              -0.00005421448609
                2p
                   -1 :               0.00010682995499
                   +0 :               0.00004826369262
                   +1 :               0.00003985515204
                3p
                   -1 :              -0.00002852755372
                   +0 :              -0.00009168166703
                   +1 :              -0.00000832973769
                3d
                   -2 :               0.00000131805835
                   -1 :              -0.00000486305259
                   +0 :              -0.00000620869594
                   +1 :               0.00000384052565
                   +2 :               0.00000849472380
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 17)  npairs=  14
              1 vec=     2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00015564204201
                2s
                   +0 :              -0.00113159600777
                3s
                   +0 :               0.00042825207217
                2p
                   -1 :              -0.00002761663840
                   +0 :               0.00040754452993
                   +1 :               0.00028060010165
                3p
                   -1 :               0.00019599855387
                   +0 :              -0.00032050884151
                   +1 :               0.00003890313659
                3d
                   -2 :               0.00001376795643
                   -1 :              -0.00000767090291
                   +0 :               0.00002262249073
                   +1 :              -0.00003426543728
                   +2 :               0.00000272528661
              2 vec=     2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006838328343
                2s
                   +0 :               0.00039441572625
                3s
                   +0 :              -0.00025126988489
                2p
                   -1 :               0.00029408232167
                   +0 :               0.00050609691298
                   +1 :               0.00004890909832
                3p
                   -1 :              -0.00022663984572
                   +0 :              -0.00042337283632
                   +1 :               0.00008734328180
                3d
                   -2 :               0.00001319204483
                   -1 :              -0.00001972617282
                   +0 :              -0.00004368885397
                   +1 :               0.00002330104352
                   +2 :               0.00000747265632
              3 vec=    -5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00005477123566
                2s
                   +0 :              -0.00053814599714
                3s
                   +0 :               0.00008395382530
                2p
                   -1 :              -0.00076540835477
                   +0 :               0.00037335207969
                   +1 :              -0.00041065652670
                3p
                   -1 :               0.00013533218727
                   +0 :              -0.00012432254578
                   +1 :               0.00015858203792
                3d
                   -2 :               0.00000039823738
                   -1 :               0.00005859787384
                   +0 :               0.00003440424130
                   +1 :               0.00000377424883
                   +2 :               0.00002120806008
              4 vec=    -5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00009092017393
                2s
                   +0 :               0.00056488771417
                3s
                   +0 :              -0.00016350354099
                2p
                   -1 :              -0.00027243221346
                   +0 :              -0.00014381858136
                   +1 :              -0.00063620346086
                3p
                   -1 :              -0.00020493430882
                   +0 :               0.00020911353940
                   +1 :               0.00025385384656
                3d
                   -2 :               0.00000718965268
                   -1 :              -0.00003971358159
                   +0 :               0.00004267070711
                   +1 :              -0.00000955116530
                   +2 :               0.00000797627094
              5 vec=    -5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00008333858295
                2s
                   +0 :               0.00067061491088
                3s
                   +0 :              -0.00022873599576
                2p
                   -1 :              -0.00033492996574
                   +0 :              -0.00062102315687
                   +1 :              -0.00034207913732
                3p
                   -1 :               0.00042855916102
                   +0 :               0.00035998829579
                   +1 :               0.00018552423900
                3d
                   -2 :              -0.00001310330472
                   -1 :              -0.00004714012873
                   +0 :              -0.00000189343933
                   +1 :              -0.00000825816492
                   +2 :              -0.00000068932632
              6 vec=    -5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002222305914
                2s
                   +0 :              -0.00025035002060
                3s
                   +0 :               0.00008497331085
                2p
                   -1 :               0.00003883071768
                   +0 :              -0.00011355640499
                   +1 :              -0.00015475549021
                3p
                   -1 :              -0.00006305135851
                   +0 :               0.00005198353716
                   +1 :               0.00015375506764
                3d
                   -2 :               0.00000466251186
                   -1 :               0.00000645550291
                   +0 :               0.00001964644373
                   +1 :              -0.00000070271676
                   +2 :              -0.00000476452979
              7 vec=     2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002195334318
                2s
                   +0 :              -0.00015364336916
                3s
                   +0 :               0.00008645050304
                2p
                   -1 :               0.00002387309258
                   +0 :               0.00003046717287
                   +1 :               0.00001684212360
                3p
                   -1 :               0.00000003265484
                   +0 :              -0.00018927221854
                   +1 :               0.00001100997238
                3d
                   -2 :               0.00000010148522
                   -1 :              -0.00001205427024
                   +0 :              -0.00000074301785
                   +1 :               0.00001035035162
                   +2 :              -0.00000431446999
              8 vec=     2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00003106944009
                2s
                   +0 :               0.00070172714248
                3s
                   +0 :               0.00002514869472
                2p
                   -1 :               0.00044419363639
                   +0 :               0.00038908632176
                   +1 :              -0.00027487015807
                3p
                   -1 :              -0.00017881474742
                   +0 :               0.00003145393661
                   +1 :               0.00005056981322
                3d
                   -2 :              -0.00000891169679
                   -1 :               0.00002082958329
                   +0 :               0.00000244428145
                   +1 :              -0.00001308156977
                   +2 :               0.00001036332334
              9 vec=     2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00020908229356
                2s
                   +0 :               0.00194864924347
                3s
                   +0 :              -0.00043154831494
                2p
                   -1 :              -0.00022551607525
                   +0 :              -0.00080384051388
                   +1 :               0.00035591949074
                3p
                   -1 :               0.00005278199881
                   +0 :               0.00038356764380
                   +1 :              -0.00002730982269
                3d
                   -2 :              -0.00004868746808
                   -1 :               0.00001395239248
                   +0 :              -0.00000243238911
                   +1 :              -0.00002082057649
                   +2 :               0.00001383159211
             10 vec=     2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002434749710
                2s
                   +0 :              -0.00025587511644
                3s
                   +0 :               0.00001790720745
                2p
                   -1 :              -0.00019376381152
                   +0 :              -0.00006677406646
                   +1 :              -0.00003793428007
                3p
                   -1 :               0.00018385476622
                   +0 :              -0.00003946634631
                   +1 :               0.00003229599644
                3d
                   -2 :               0.00001760827174
                   -1 :               0.00001128031135
                   +0 :              -0.00000698021436
                   +1 :              -0.00000288125041
                   +2 :              -0.00000963052712
             11 vec=    10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003869211275
                2s
                   +0 :              -0.00039794617620
                3s
                   +0 :               0.00006186752897
                2p
                   -1 :               0.00007393958108
                   +0 :               0.00021505820880
                   +1 :              -0.00012195673806
                3p
                   -1 :              -0.00013008739267
                   +0 :              -0.00010237928980
                   +1 :               0.00005180137938
                3d
                   -2 :               0.00000080572702
                   -1 :               0.00002758903995
                   +0 :               0.00000390292633
                   +1 :              -0.00000524685632
                   +2 :               0.00001525988788
             12 vec=    10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001552529519
                2s
                   +0 :               0.00011428001117
                3s
                   +0 :              -0.00001206575144
                2p
                   -1 :               0.00014915262027
                   +0 :               0.00001449794228
                   +1 :               0.00026374418880
                3p
                   -1 :              -0.00016516740887
                   +0 :               0.00003218326713
                   +1 :              -0.00014930751793
                3d
                   -2 :              -0.00000910049057
                   -1 :              -0.00001434052713
                   +0 :              -0.00000144029298
                   +1 :              -0.00000653948874
                   +2 :               0.00000126199614
             13 vec=    10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000315981643
                2s
                   +0 :              -0.00011400451433
                3s
                   +0 :              -0.00003936642043
                2p
                   -1 :               0.00018444749916
                   +0 :              -0.00005878241091
                   +1 :              -0.00005020204774
                3p
                   -1 :              -0.00001302298131
                   +0 :               0.00011769769869
                   +1 :               0.00002525243530
                3d
                   -2 :               0.00000435802245
                   -1 :               0.00000275144940
                   +0 :              -0.00001227384233
                   +1 :               0.00000648175204
                   +2 :               0.00000972278902
             14 vec=    10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002033936771
                2s
                   +0 :              -0.00015158980348
                3s
                   +0 :               0.00002460412293
                2p
                   -1 :              -0.00005889632089
                   +0 :              -0.00003194034394
                   +1 :               0.00001350955749
                3p
                   -1 :               0.00007846308136
                   +0 :              -0.00002809442244
                   +1 :              -0.00002031882597
                3d
                   -2 :               0.00001033599678
                   -1 :               0.00001168134979
                   +0 :               0.00000033820890
                   +1 :              -0.00000207584400
                   +2 :               0.00000160692502
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 18)  npairs=  18
              1 vec=     0.000000      3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00002466530315
                2s
                   +0 :               0.00021194688895
                3s
                   +0 :              -0.00006111594216
                2p
                   -1 :              -0.00007408906026
                   +0 :              -0.00025607928158
                   +1 :              -0.00040374605843
                3p
                   -1 :              -0.00000021658226
                   +0 :               0.00014012190869
                   +1 :               0.00036666407259
                3d
                   -2 :               0.00000936540454
                   -1 :              -0.00000216521456
                   +0 :              -0.00002909793229
                   +1 :               0.00000177822244
                   +2 :              -0.00000082793780
              2 vec=     0.000000      3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00000796057421
                2s
                   +0 :               0.00022853090813
                3s
                   +0 :               0.00006123214931
                2p
                   -1 :              -0.00033602715974
                   +0 :               0.00000657965422
                   +1 :               0.00030112642404
                3p
                   -1 :               0.00015224009010
                   +0 :               0.00011352412159
                   +1 :              -0.00026767773493
                3d
                   -2 :               0.00000241905118
                   -1 :               0.00000133623636
                   +0 :              -0.00003158992854
                   +1 :               0.00000717231907
                   +2 :              -0.00000518125589
              3 vec=     0.000000     -5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00002178287998
                2s
                   +0 :               0.00033168209850
                3s
                   +0 :              -0.00000722577076
                2p
                   -1 :               0.00098580533267
                   +0 :               0.00017470073875
                   +1 :               0.00003250334133
                3p
                   -1 :              -0.00032949280433
                   +0 :              -0.00015897732369
                   +1 :               0.00002218836026
                3d
                   -2 :              -0.00003119878232
                   -1 :              -0.00002312197728
                   +0 :              -0.00001266106942
                   +1 :               0.00000536988264
                   +2 :              -0.00004841489260
              4 vec=     0.000000     -5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00007216320822
                2s
                   +0 :              -0.00054921610203
                3s
                   +0 :               0.00016318993851
                2p
                   -1 :              -0.00014423036173
                   +0 :              -0.00040996070500
                   +1 :              -0.00046882627380
                3p
                   -1 :               0.00014846423612
                   +0 :               0.00020124455646
                   +1 :               0.00031647882738
                3d
                   -2 :               0.00000433248539
                   -1 :               0.00001495456859
                   +0 :               0.00001528328288
                   +1 :               0.00003327476133
                   +2 :              -0.00001640749269
              5 vec=    -7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00016414359921
                2s
                   +0 :              -0.00172170233710
                3s
                   +0 :               0.00023348194918
                2p
                   -1 :               0.00021168868542
                   +0 :               0.00102825005322
                   +1 :               0.00066377861180
                3p
                   -1 :              -0.00003082500441
                   +0 :              -0.00025681068206
                   +1 :              -0.00028490755671
                3d
                   -2 :              -0.00000420379178
                   -1 :              -0.00001462963456
                   +0 :              -0.00002650182634
                   +1 :              -0.00003770324524
                   +2 :              -0.00001986500815
              6 vec=    -7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004035814374
                2s
                   +0 :              -0.00051058353975
                3s
                   +0 :               0.00004664417245
                2p
                   -1 :              -0.00041264596810
                   +0 :              -0.00043067433965
                   +1 :               0.00012169455559
                3p
                   -1 :               0.00032665258487
                   +0 :               0.00004290535831
                   +1 :              -0.00003103854865
                3d
                   -2 :              -0.00001011601792
                   -1 :               0.00002235089437
                   +0 :              -0.00002718517145
                   +1 :               0.00000907776961
                   +2 :               0.00000667349279
              7 vec=     7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00009859102166
                2s
                   +0 :              -0.00110157833351
                3s
                   +0 :               0.00009485920602
                2p
                   -1 :               0.00012443638834
                   +0 :               0.00056972056023
                   +1 :              -0.00029144248100
                3p
                   -1 :               0.00007262530547
                   +0 :               0.00000191426759
                   +1 :              -0.00000929784744
                3d
                   -2 :               0.00002110321013
                   -1 :              -0.00003423540221
                   +0 :              -0.00002763423717
                   +1 :               0.00003007094619
                   +2 :              -0.00001630883952
              8 vec=     7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004505613306
                2s
                   +0 :              -0.00053303353857
                3s
                   +0 :               0.00006373418282
                2p
                   -1 :              -0.00015056864659
                   +0 :              -0.00056398888850
                   +1 :              -0.00027130131631
                3p
                   -1 :               0.00007282273308
                   +0 :               0.00009857817339
                   +1 :               0.00015134704489
                3d
                   -2 :              -0.00000841418388
                   -1 :               0.00000408617757
                   +0 :              -0.00001279375144
                   +1 :              -0.00000432075457
                   +2 :              -0.00000798633729
              9 vec=    -7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00003956415209
                2s
                   +0 :              -0.00028769389600
                3s
                   +0 :               0.00011758969483
                2p
                   -1 :              -0.00006703800763
                   +0 :               0.00024502168659
                   +1 :               0.00020130475551
                3p
                   -1 :               0.00001860656784
                   +0 :              -0.00030482313678
                   +1 :              -0.00019858869997
                3d
                   -2 :               0.00001097984743
                   -1 :               0.00000197612325
                   +0 :               0.00001397852367
                   +1 :               0.00001703364824
                   +2 :               0.00000028544029
             10 vec=    -7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001137590329
                2s
                   +0 :               0.00013601051190
                3s
                   +0 :              -0.00000842643159
                2p
                   -1 :              -0.00009399293400
                   +0 :               0.00007864943211
                   +1 :              -0.00011736074961
                3p
                   -1 :               0.00006936484645
                   +0 :               0.00002397017169
                   +1 :               0.00004590228376
                3d
                   -2 :              -0.00000221040195
                   -1 :               0.00000487980905
                   +0 :              -0.00000064175723
                   +1 :              -0.00000472741159
                   +2 :              -0.00000724564712
             11 vec=     7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00003787537385
                2s
                   +0 :              -0.00036280376870
                3s
                   +0 :               0.00007649646867
                2p
                   -1 :              -0.00019075289029
                   +0 :               0.00000900386085
                   +1 :               0.00001789997755
                3p
                   -1 :               0.00007415093380
                   +0 :              -0.00006669877434
                   +1 :              -0.00002554497142
                3d
                   -2 :              -0.00000393386682
                   -1 :              -0.00000855390967
                   +0 :               0.00000633301285
                   +1 :               0.00000232628265
                   +2 :              -0.00000558539135
             12 vec=     7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001684450700
                2s
                   +0 :               0.00023802606523
                3s
                   +0 :              -0.00000488064426
                2p
                   -1 :               0.00015600931401
                   +0 :              -0.00006396038614
                   +1 :              -0.00003250523904
                3p
                   -1 :              -0.00009269577504
                   +0 :               0.00021270579368
                   +1 :               0.00012076398948
                3d
                   -2 :              -0.00001372978590
                   -1 :              -0.00000176737838
                   +0 :               0.00001700855319
                   +1 :               0.00000676818223
                   +2 :               0.00000867062021
             13 vec=     0.000000     12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000386568388
                2s
                   +0 :               0.00006173471507
                3s
                   +0 :              -0.00000306987201
                2p
                   -1 :              -0.00000971925899
                   +0 :              -0.00006599086700
                   +1 :              -0.00006969451246
                3p
                   -1 :               0.00005698085136
                   +0 :              -0.00002412999448
                   +1 :               0.00006256455834
                3d
                   -2 :               0.00000340875871
                   -1 :              -0.00000250323473
                   +0 :               0.00000392684939
                   +1 :               0.00000420717204
                   +2 :              -0.00000885778331
             14 vec=     0.000000     12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00004155449108
                2s
                   +0 :               0.00043039495473
                3s
                   +0 :              -0.00006964768976
                2p
                   -1 :               0.00016090057917
                   +0 :               0.00013762564937
                   +1 :               0.00010508063397
                3p
                   -1 :               0.00000081259886
                   +0 :              -0.00000722481547
                   +1 :              -0.00009031746685
                3d
                   -2 :              -0.00000732576310
                   -1 :               0.00000200023341
                   +0 :               0.00000425931420
                   +1 :              -0.00000088276966
                   +2 :              -0.00000800945524
             15 vec=    -7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000948365744
                2s
                   +0 :               0.00007086903226
                3s
                   +0 :               0.00007999469360
                2p
                   -1 :               0.00010103773372
                   +0 :              -0.00000980420089
                   +1 :              -0.00005082921735
                3p
                   -1 :              -0.00004851848430
                   +0 :               0.00001078799193
                   +1 :              -0.00003892831331
                3d
                   -2 :              -0.00000170996386
                   -1 :               0.00000127160252
                   +0 :               0.00000559833622
                   +1 :              -0.00000185558028
                   +2 :               0.00000568868265
             16 vec=    -7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002692664406
                2s
                   +0 :              -0.00026584484303
                3s
                   +0 :               0.00006150741829
                2p
                   -1 :               0.00001187959161
                   +0 :              -0.00004586540882
                   +1 :               0.00013961729843
                3p
                   -1 :              -0.00000839479529
                   +0 :              -0.00001466780689
                   +1 :              -0.00008436014746
                3d
                   -2 :               0.00001315721603
                   -1 :              -0.00000363766733
                   +0 :               0.00000125460125
                   +1 :              -0.00000397654670
                   +2 :               0.00000098068137
             17 vec=     7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001484867396
                2s
                   +0 :               0.00016836788305
                3s
                   +0 :              -0.00000938855409
                2p
                   -1 :               0.00010304000499
                   +0 :              -0.00002196502775
                   +1 :               0.00002038273153
                3p
                   -1 :              -0.00002404504203
                   +0 :               0.00003660622473
                   +1 :               0.00008540681811
                3d
                   -2 :              -0.00000771966711
                   -1 :               0.00000271985062
                   +0 :              -0.00000110078452
                   +1 :              -0.00000458396010
                   +2 :               0.00000694859503
             18 vec=     7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00003653683046
                2s
                   +0 :              -0.00032365433546
                3s
                   +0 :               0.00008493696699
                2p
                   -1 :              -0.00000201206724
                   +0 :              -0.00013095569429
                   +1 :              -0.00012563604348
                3p
                   -1 :              -0.00001379616907
                   +0 :               0.00003539075112
                   +1 :               0.00004575326840
                3d
                   -2 :               0.00000408252119
                   -1 :              -0.00000547827770
                   +0 :               0.00000108387016
                   +1 :              -0.00000460693614
                   +2 :              -0.00000538220970
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 19)  npairs=  14
              1 vec=    -0.209286      0.362794      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00020238523986
                2s
                   +0 :               0.00136629702431
                3s
                   +0 :              -0.00031895724469
                2p
                   -1 :              -0.00351425279240
                   +0 :               0.00206650983445
                   +1 :              -0.00226223802854
                3p
                   -1 :               0.00134455533310
                   +0 :              -0.00127255351035
                   +1 :               0.00180313705883
                3d
                   -2 :              -0.00005615420326
                   -1 :               0.00005330298677
                   +0 :              -0.00010329853144
                   +1 :               0.00006294613563
                   +2 :              -0.00013041327464
              2 vec=    -0.209286     -8.620964      8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00011344734714
                2s
                   +0 :               0.00036039257197
                3s
                   +0 :              -0.00038477786658
                2p
                   -1 :               0.00164336013187
                   +0 :               0.00039485002514
                   +1 :              -0.00004255459647
                3p
                   -1 :              -0.00144811439258
                   +0 :              -0.00051488106653
                   +1 :              -0.00003424634931
                3d
                   -2 :               0.00001494723910
                   -1 :              -0.00005367339668
                   +0 :              -0.00005698815418
                   +1 :              -0.00008506029608
                   +2 :              -0.00010480678217
              3 vec=     7.570876     -4.129085      8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00003634802127
                2s
                   +0 :              -0.00010046368829
                3s
                   +0 :              -0.00035426976469
                2p
                   -1 :              -0.00041857707488
                   +0 :              -0.00002263826446
                   +1 :               0.00036821500310
                3p
                   -1 :               0.00000786521988
                   +0 :              -0.00035390822698
                   +1 :              -0.00056356545714
                3d
                   -2 :              -0.00004208579092
                   -1 :              -0.00006634117812
                   +0 :               0.00001541501415
                   +1 :              -0.00005528690376
                   +2 :              -0.00004823164253
              4 vec=    -7.989449     -4.129085      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00015765799991
                2s
                   +0 :              -0.00137855257692
                3s
                   +0 :               0.00023392986866
                2p
                   -1 :               0.00025970853919
                   +0 :              -0.00023085162598
                   +1 :               0.00060681473901
                3p
                   -1 :              -0.00055701595862
                   +0 :              -0.00006597282025
                   +1 :              -0.00018937666186
                3d
                   -2 :               0.00001056815968
                   -1 :              -0.00003970535214
                   +0 :              -0.00001954257800
                   +1 :               0.00000711346550
                   +2 :              -0.00006042894515
              5 vec=     7.570876      4.854673      8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00015172964472
                2s
                   +0 :              -0.00049492294932
                3s
                   +0 :               0.00071461547815
                2p
                   -1 :              -0.00010939612515
                   +0 :              -0.00079026080374
                   +1 :              -0.00044505257763
                3p
                   -1 :               0.00000034875997
                   +0 :               0.00072832665703
                   +1 :               0.00092899610766
                3d
                   -2 :               0.00003985297524
                   -1 :               0.00003060904752
                   +0 :               0.00004297335597
                   +1 :               0.00015602160975
                   +2 :               0.00011179343772
              6 vec=    -7.989449      4.854673      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00006680680407
                2s
                   +0 :               0.00061902378222
                3s
                   +0 :              -0.00018086116245
                2p
                   -1 :              -0.00050649037386
                   +0 :               0.00079244595425
                   +1 :              -0.00095716510816
                3p
                   -1 :               0.00027303973257
                   +0 :              -0.00062117913671
                   +1 :               0.00051348244358
                3d
                   -2 :              -0.00000354443961
                   -1 :               0.00001647914413
                   +0 :              -0.00001153620764
                   +1 :               0.00004664401560
                   +2 :              -0.00000504889996
              7 vec=    -0.209286      9.346552      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00013324312847
                2s
                   +0 :               0.00155697088458
                3s
                   +0 :              -0.00022667955942
                2p
                   -1 :               0.00101635717682
                   +0 :               0.00067286502137
                   +1 :              -0.00016090615070
                3p
                   -1 :              -0.00039300070238
                   +0 :               0.00003024884366
                   +1 :               0.00013278226120
                3d
                   -2 :               0.00001163775991
                   -1 :               0.00004220962377
                   +0 :               0.00005564934613
                   +1 :               0.00004729052489
                   +2 :               0.00002611309678
              8 vec=    -0.209286      0.362794    -16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00003983707917
                2s
                   +0 :              -0.00039938129450
                3s
                   +0 :               0.00010612114444
                2p
                   -1 :              -0.00003193943723
                   +0 :               0.00019612613026
                   +1 :              -0.00007340792398
                3p
                   -1 :               0.00000386156915
                   +0 :              -0.00012064227826
                   +1 :               0.00007198565401
                3d
                   -2 :               0.00000376449323
                   -1 :               0.00000382374034
                   +0 :               0.00000545293212
                   +1 :              -0.00000478881944
                   +2 :               0.00000063396248
              9 vec=     7.570876    -13.112843      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00000765672787
                2s
                   +0 :              -0.00014960478352
                3s
                   +0 :              -0.00004316068986
                2p
                   -1 :               0.00018079086015
                   +0 :              -0.00004904462376
                   +1 :               0.00001661685205
                3p
                   -1 :              -0.00005280086328
                   +0 :               0.00003089489507
                   +1 :              -0.00005210448142
                3d
                   -2 :               0.00000771488425
                   -1 :              -0.00000714679871
                   +0 :               0.00000562359377
                   +1 :              -0.00000117446944
                   +2 :              -0.00000074398056
             10 vec=    -7.989449    -13.112843      8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000654317162
                2s
                   +0 :              -0.00013554217686
                3s
                   +0 :              -0.00001100903711
                2p
                   -1 :               0.00005480362562
                   +0 :              -0.00002223452483
                   +1 :              -0.00010164864617
                3p
                   -1 :               0.00003524064898
                   +0 :              -0.00000590798477
                   +1 :               0.00013132403201
                3d
                   -2 :              -0.00000878000092
                   -1 :              -0.00000125201951
                   +0 :               0.00000577611870
                   +1 :              -0.00000259396667
                   +2 :               0.00000494883469
             11 vec=    15.351039      0.362794      8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00001855734816
                2s
                   +0 :              -0.00014794949932
                3s
                   +0 :               0.00005152777072
                2p
                   -1 :              -0.00011651081693
                   +0 :              -0.00007379561453
                   +1 :              -0.00010072441832
                3p
                   -1 :               0.00007058583410
                   +0 :               0.00004117503910
                   +1 :               0.00006571823943
                3d
                   -2 :               0.00000852109724
                   -1 :               0.00000172088694
                   +0 :              -0.00000100640275
                   +1 :               0.00001205075811
                   +2 :               0.00000660039450
             12 vec=   -15.769612      0.362794      8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00002012126576
                2s
                   +0 :              -0.00016127425453
                3s
                   +0 :               0.00005226034523
                2p
                   -1 :              -0.00003051892930
                   +0 :              -0.00000527506092
                   +1 :               0.00005356793169
                3p
                   -1 :              -0.00000255915443
                   +0 :              -0.00001459932076
                   +1 :              -0.00001378342648
                3d
                   -2 :              -0.00000137832952
                   -1 :              -0.00000093029839
                   +0 :              -0.00000419217854
                   +1 :              -0.00000235934409
                   +2 :               0.00000141530758
             13 vec=     7.570876     13.838431      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001824668523
                2s
                   +0 :               0.00020806361049
                3s
                   +0 :               0.00000746144509
                2p
                   -1 :               0.00005444461151
                   +0 :               0.00001259265834
                   +1 :              -0.00006984815844
                3p
                   -1 :               0.00003627424085
                   +0 :               0.00004601783102
                   +1 :               0.00013839620444
                3d
                   -2 :               0.00001410165366
                   -1 :               0.00000506363538
                   +0 :               0.00000814049898
                   +1 :               0.00001096163070
                   +2 :              -0.00000016295699
             14 vec=    -7.989449     13.838431      8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00003101762038
                2s
                   +0 :               0.00030003975941
                3s
                   +0 :              -0.00006478790991
                2p
                   -1 :               0.00009142915239
                   +0 :               0.00006831788051
                   +1 :              -0.00015070377333
                3p
                   -1 :              -0.00001405205291
                   +0 :              -0.00002401869709
                   +1 :               0.00004263157009
                3d
                   -2 :              -0.00000140919257
                   -1 :              -0.00000042539229
                   +0 :               0.00000033597279
                   +1 :               0.00000161972392
                   +2 :               0.00000168012509
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 20)  npairs=  15
              1 vec=     2.802674     -4.129085      8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00009607957678
                2s
                   +0 :              -0.00043584635173
                3s
                   +0 :               0.00008016808381
                2p
                   -1 :              -0.00321525489682
                   +0 :              -0.00082852791081
                   +1 :              -0.00113176458277
                3p
                   -1 :               0.00240730732096
                   +0 :               0.00087125769232
                   +1 :               0.00134187679899
                3d
                   -2 :               0.00000482302675
                   -1 :               0.00014521177175
                   +0 :               0.00003330858042
                   +1 :               0.00015499206252
                   +2 :               0.00001570898330
              2 vec=    -4.977489      0.362794      8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00056833787725
                2s
                   +0 :              -0.00434180842293
                3s
                   +0 :               0.00142510974715
                2p
                   -1 :              -0.00053094438171
                   +0 :              -0.00349954263447
                   +1 :               0.00130738310492
                3p
                   -1 :              -0.00042252687735
                   +0 :               0.00117586278579
                   +1 :              -0.00004864978684
                3d
                   -2 :               0.00021921181524
                   -1 :              -0.00006762957681
                   +0 :              -0.00005884336201
                   +1 :               0.00008664454380
                   +2 :              -0.00004093902898
              3 vec=     2.802674      4.854673      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00064479432172
                2s
                   +0 :               0.00561376629368
                3s
                   +0 :              -0.00108055992790
                2p
                   -1 :               0.00218640493530
                   +0 :               0.00222010894667
                   +1 :               0.00352565658720
                3p
                   -1 :              -0.00124108201050
                   +0 :               0.00054257908858
                   +1 :              -0.00107958829216
                3d
                   -2 :               0.00002512707381
                   -1 :              -0.00011837888150
                   +0 :               0.00010756049410
                   +1 :               0.00014573496377
                   +2 :               0.00014408788983
              4 vec=    -4.977489     -8.620964      8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00018771440566
                2s
                   +0 :              -0.00170958588008
                3s
                   +0 :               0.00049303073482
                2p
                   -1 :               0.00075047432223
                   +0 :              -0.00041796468181
                   +1 :              -0.00026297362128
                3p
                   -1 :              -0.00036791868534
                   +0 :               0.00000456681070
                   +1 :               0.00012860572447
                3d
                   -2 :               0.00004190138334
                   -1 :              -0.00000406661145
                   +0 :              -0.00003565989684
                   +1 :              -0.00000499464398
                   +2 :              -0.00002980154464
              5 vec=    10.582837      0.362794      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00003043374301
                2s
                   +0 :               0.00004081407644
                3s
                   +0 :              -0.00007115972372
                2p
                   -1 :               0.00012206807739
                   +0 :               0.00009454117281
                   +1 :               0.00014339241648
                3p
                   -1 :              -0.00024077643066
                   +0 :              -0.00000526938738
                   +1 :              -0.00015175923242
                3d
                   -2 :              -0.00001985485486
                   -1 :              -0.00005713307657
                   +0 :              -0.00003628763757
                   +1 :               0.00001412053867
                   +2 :              -0.00001533447933
              6 vec=    -4.977489      9.346552      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00008528884167
                2s
                   +0 :               0.00118250723846
                3s
                   +0 :              -0.00016434342357
                2p
                   -1 :               0.00041305734689
                   +0 :               0.00047444398771
                   +1 :              -0.00009772433663
                3p
                   -1 :              -0.00007822313771
                   +0 :              -0.00018763158047
                   +1 :              -0.00018717958350
                3d
                   -2 :              -0.00003679333606
                   -1 :              -0.00001726664424
                   +0 :              -0.00000068914671
                   +1 :               0.00000212857259
                   +2 :               0.00001723099776
              7 vec=     2.802674    -13.112843      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00001071041075
                2s
                   +0 :              -0.00015713446531
                3s
                   +0 :              -0.00002903130960
                2p
                   -1 :              -0.00001403812505
                   +0 :               0.00012866350781
                   +1 :               0.00004362882908
                3p
                   -1 :               0.00013984848798
                   +0 :              -0.00016451923873
                   +1 :              -0.00002074894279
                3d
                   -2 :               0.00001554045229
                   -1 :               0.00000362765440
                   +0 :              -0.00000086302257
                   +1 :              -0.00002352176142
                   +2 :              -0.00001199458339
              8 vec=   -12.757651     -4.129085      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00004507318215
                2s
                   +0 :              -0.00041190393763
                3s
                   +0 :               0.00012075881910
                2p
                   -1 :               0.00011183644608
                   +0 :              -0.00006798986259
                   +1 :               0.00024105923547
                3p
                   -1 :              -0.00010621826097
                   +0 :               0.00007486353571
                   +1 :              -0.00009279514531
                3d
                   -2 :               0.00000667495482
                   -1 :              -0.00000886727050
                   +0 :               0.00000580063922
                   +1 :              -0.00000451575128
                   +2 :              -0.00000586335377
              9 vec=    10.582837     -8.620964      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00004798577679
                2s
                   +0 :              -0.00040907785531
                3s
                   +0 :               0.00008037811813
                2p
                   -1 :               0.00002013345366
                   +0 :              -0.00005086292565
                   +1 :              -0.00028738824646
                3p
                   -1 :               0.00002645563404
                   +0 :              -0.00008587450846
                   +1 :               0.00015088020677
                3d
                   -2 :              -0.00000200427827
                   -1 :               0.00001887138529
                   +0 :              -0.00000389212077
                   +1 :              -0.00001206198055
                   +2 :               0.00000956609891
             10 vec=   -12.757651      4.854673      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00002374498565
                2s
                   +0 :              -0.00009487673219
                3s
                   +0 :               0.00008584372889
                2p
                   -1 :              -0.00011405243040
                   +0 :              -0.00001986681450
                   +1 :              -0.00001880747009
                3p
                   -1 :               0.00006515970039
                   +0 :               0.00000424233959
                   +1 :              -0.00005306255538
                3d
                   -2 :              -0.00000225423816
                   -1 :               0.00000018578156
                   +0 :               0.00000344596505
                   +1 :               0.00000335791584
                   +2 :               0.00000707498120
             11 vec=    10.582837      9.346552      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00002543788044
                2s
                   +0 :               0.00025079978228
                3s
                   +0 :              -0.00002881984107
                2p
                   -1 :               0.00002065660486
                   +0 :              -0.00002143788287
                   +1 :               0.00014973442272
                3p
                   -1 :               0.00002418382045
                   +0 :               0.00006608467015
                   +1 :              -0.00002602302471
                3d
                   -2 :              -0.00000377399116
                   -1 :               0.00000397955653
                   +0 :               0.00000487920228
                   +1 :              -0.00000145164590
                   +2 :               0.00000157533794
             12 vec=     2.802674     13.838431      8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00004045911031
                2s
                   +0 :               0.00043129999149
                3s
                   +0 :              -0.00006960812476
                2p
                   -1 :               0.00026708947647
                   +0 :               0.00018848564598
                   +1 :               0.00011972768937
                3p
                   -1 :              -0.00006429770532
                   +0 :              -0.00006722802112
                   +1 :              -0.00008020809575
                3d
                   -2 :              -0.00000470814314
                   -1 :              -0.00000985020542
                   +0 :              -0.00000445754090
                   +1 :              -0.00000718219607
                   +2 :               0.00000249494878
             13 vec=     2.802674     -4.129085    -16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00000862477754
                2s
                   +0 :               0.00003243722793
                3s
                   +0 :              -0.00000626546285
                2p
                   -1 :               0.00002264216012
                   +0 :              -0.00000309236266
                   +1 :               0.00001080603307
                3p
                   -1 :               0.00004021512205
                   +0 :              -0.00001212848596
                   +1 :               0.00000655646582
                3d
                   -2 :              -0.00000066240050
                   -1 :               0.00000009865077
                   +0 :               0.00001163903260
                   +1 :              -0.00000714571831
                   +2 :               0.00000244240591
             14 vec=    -4.977489      0.362794    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00002837764257
                2s
                   +0 :              -0.00024510038643
                3s
                   +0 :               0.00005853101841
                2p
                   -1 :              -0.00000758161598
                   +0 :               0.00004084728584
                   +1 :              -0.00006349255860
                3p
                   -1 :              -0.00000463292592
                   +0 :              -0.00002652740771
                   +1 :               0.00002263405574
                3d
                   -2 :              -0.00000453919978
                   -1 :               0.00000478373493
                   +0 :               0.00000826939176
                   +1 :               0.00000193245811
                   +2 :              -0.00000102002328
             15 vec=     2.802674      4.854673    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00001728305452
                2s
                   +0 :              -0.00027482731135
                3s
                   +0 :              -0.00000061594507
                2p
                   -1 :              -0.00013975383352
                   +0 :               0.00005864136946
                   +1 :               0.00013722045343
                3p
                   -1 :               0.00007571777578
                   +0 :               0.00005875403383
                   +1 :              -0.00002456374528
                3d
                   -2 :               0.00000303027916
                   -1 :               0.00000230527119
                   +0 :              -0.00000689898576
                   +1 :              -0.00001732031181
                   +2 :              -0.00000667045580
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 21)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00003745533100
                2s
                   +0 :              -0.00071317368573
                3s
                   +0 :               0.00000856984712
                2p
                   -1 :              -0.00152696757197
                   +0 :              -0.00044302872514
                   +1 :               0.00038634243037
                3p
                   -1 :               0.00140523069233
                   +0 :              -0.00020125886066
                   +1 :              -0.00090330619442
                3d
                   -2 :               0.00004653616239
                   -1 :               0.00017317251527
                   +0 :               0.00008002420777
                   +1 :              -0.00002788322713
                   +2 :               0.00000565061156
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00018096435365
                2s
                   +0 :              -0.00185478309021
                3s
                   +0 :               0.00010932606223
                2p
                   -1 :               0.00019544154943
                   +0 :              -0.00173550931994
                   +1 :              -0.00092754585959
                3p
                   -1 :              -0.00043592624170
                   +0 :              -0.00011203439042
                   +1 :              -0.00030061565516
                3d
                   -2 :              -0.00004377056058
                   -1 :               0.00008026669599
                   +0 :              -0.00006620485912
                   +1 :              -0.00019866920841
                   +2 :              -0.00002159463902
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00043938400710
                2s
                   +0 :               0.00387352327544
                3s
                   +0 :              -0.00038408805185
                2p
                   -1 :              -0.00012115909198
                   +0 :               0.00300042859461
                   +1 :              -0.00170743667403
                3p
                   -1 :               0.00037388940132
                   +0 :               0.00003810977341
                   +1 :              -0.00092832688493
                3d
                   -2 :              -0.00013707804081
                   -1 :               0.00003631750920
                   +0 :               0.00001906787329
                   +1 :              -0.00038950494247
                   +2 :               0.00011453058138
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00006227124088
                2s
                   +0 :              -0.00094127487699
                3s
                   +0 :               0.00014110270919
                2p
                   -1 :               0.00080655014005
                   +0 :              -0.00002784256402
                   +1 :               0.00040601525036
                3p
                   -1 :              -0.00045589885550
                   +0 :              -0.00024407476057
                   +1 :              -0.00029706915775
                3d
                   -2 :              -0.00004917708875
                   -1 :               0.00001736997333
                   +0 :              -0.00004341566080
                   +1 :               0.00002746147276
                   +2 :              -0.00001715024402
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001800055591
                2s
                   +0 :              -0.00033721252251
                3s
                   +0 :              -0.00002035504163
                2p
                   -1 :              -0.00039111604906
                   +0 :               0.00005184881129
                   +1 :              -0.00012763416265
                3p
                   -1 :               0.00024626191898
                   +0 :              -0.00000164271187
                   +1 :               0.00022457300095
                3d
                   -2 :               0.00002333768432
                   -1 :              -0.00001561511290
                   +0 :               0.00000191455500
                   +1 :               0.00000624828061
                   +2 :              -0.00003446201844
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00002773137279
                2s
                   +0 :               0.00094934278834
                3s
                   +0 :              -0.00000559833059
                2p
                   -1 :               0.00063396592653
                   +0 :               0.00050115998975
                   +1 :               0.00066309313422
                3p
                   -1 :              -0.00028805223350
                   +0 :              -0.00044376444253
                   +1 :              -0.00028820953103
                3d
                   -2 :               0.00000103967058
                   -1 :              -0.00003315844594
                   +0 :              -0.00005027440769
                   +1 :              -0.00001023522267
                   +2 :              -0.00001803107293
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000688956861
                2s
                   +0 :              -0.00005174594228
                3s
                   +0 :              -0.00007044898190
                2p
                   -1 :              -0.00002653815035
                   +0 :              -0.00030950107588
                   +1 :              -0.00016810698341
                3p
                   -1 :               0.00013063049390
                   +0 :               0.00024778104526
                   +1 :               0.00013526319456
                3d
                   -2 :              -0.00002391740983
                   -1 :               0.00000029291889
                   +0 :               0.00002785269691
                   +1 :               0.00002069308599
                   +2 :               0.00000820972142
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00001583516557
                2s
                   +0 :              -0.00025011219129
                3s
                   +0 :               0.00000333093190
                2p
                   -1 :              -0.00009588751090
                   +0 :              -0.00016455586636
                   +1 :               0.00015337216305
                3p
                   -1 :               0.00014032953664
                   +0 :               0.00003302720563
                   +1 :              -0.00002778122038
                3d
                   -2 :              -0.00000090979212
                   -1 :              -0.00000473362480
                   +0 :              -0.00000714208210
                   +1 :               0.00001038053498
                   +2 :               0.00000455493252
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002112656741
                2s
                   +0 :              -0.00017862909145
                3s
                   +0 :              -0.00000691857843
                2p
                   -1 :               0.00008768894200
                   +0 :               0.00003017866593
                   +1 :              -0.00020869713952
                3p
                   -1 :              -0.00009762789574
                   +0 :              -0.00007112407243
                   +1 :               0.00013270362127
                3d
                   -2 :               0.00000050323164
                   -1 :               0.00000580819224
                   +0 :              -0.00001752744188
                   +1 :              -0.00000791264134
                   +2 :               0.00000824133199
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00001177743459
                2s
                   +0 :               0.00012816746070
                3s
                   +0 :              -0.00001994087938
                2p
                   -1 :              -0.00007838536186
                   +0 :               0.00004160554935
                   +1 :               0.00014359891764
                3p
                   -1 :               0.00000367785219
                   +0 :              -0.00002882446656
                   +1 :              -0.00001847991104
                3d
                   -2 :               0.00001154256899
                   -1 :              -0.00001657251785
                   +0 :               0.00001023788274
                   +1 :              -0.00000303093582
                   +2 :              -0.00000527254572
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00002236554875
                2s
                   +0 :               0.00021362141207
                3s
                   +0 :              -0.00005327491253
                2p
                   -1 :              -0.00004425914248
                   +0 :               0.00010991996950
                   +1 :              -0.00008743744410
                3p
                   -1 :               0.00003967257578
                   +0 :              -0.00004132573761
                   +1 :               0.00001615858730
                3d
                   -2 :               0.00000077543775
                   -1 :               0.00000001861256
                   +0 :              -0.00000100500607
                   +1 :              -0.00000106459797
                   +2 :              -0.00000643373174
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000926511425
                2s
                   +0 :               0.00023970047285
                3s
                   +0 :               0.00004186561969
                2p
                   -1 :               0.00012521966020
                   +0 :               0.00007828952335
                   +1 :              -0.00003060734459
                3p
                   -1 :               0.00000614995350
                   +0 :               0.00001211659633
                   +1 :               0.00001292280071
                3d
                   -2 :              -0.00000454204301
                   -1 :               0.00000223625314
                   +0 :              -0.00000244885376
                   +1 :              -0.00000840958903
                   +2 :              -0.00000101554133
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001056121576
                2s
                   +0 :              -0.00004024291230
                3s
                   +0 :               0.00006152354189
                2p
                   -1 :               0.00011609567467
                   +0 :               0.00008736804194
                   +1 :              -0.00004900822316
                3p
                   -1 :              -0.00004243812877
                   +0 :              -0.00009272288099
                   +1 :               0.00004606100202
                3d
                   -2 :               0.00000492174425
                   -1 :              -0.00000086258519
                   +0 :               0.00000466566184
                   +1 :              -0.00000321654482
                   +2 :               0.00000281923276
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001358750804
                2s
                   +0 :              -0.00019407891668
                3s
                   +0 :               0.00001367131765
                2p
                   -1 :               0.00011286025292
                   +0 :               0.00003998158458
                   +1 :               0.00004536484433
                3p
                   -1 :              -0.00006059919185
                   +0 :              -0.00000523132812
                   +1 :              -0.00000752645215
                3d
                   -2 :               0.00000020175690
                   -1 :               0.00000274819898
                   +0 :               0.00000424707526
                   +1 :              -0.00000109719529
                   +2 :               0.00000494664508
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00002457451925
                2s
                   +0 :              -0.00025632866649
                3s
                   +0 :               0.00003336258553
                2p
                   -1 :              -0.00000161728491
                   +0 :               0.00004736813038
                   +1 :              -0.00001942901792
                3p
                   -1 :              -0.00002205912925
                   +0 :              -0.00001849821973
                   +1 :              -0.00002218791743
                3d
                   -2 :              -0.00000377255394
                   -1 :               0.00000199546331
                   +0 :              -0.00000052989984
                   +1 :               0.00001527007304
                   +2 :              -0.00000644132758
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 22)  npairs=  14
              1 vec=     2.803193     -1.376461     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00089546582439
                2s
                   +0 :              -0.01588809720733
                3s
                   +0 :               0.00074134171010
                2p
                   -1 :              -0.00174633676423
                   +0 :               0.01042688271306
                   +1 :              -0.00359710630145
                3p
                   -1 :               0.00030713406508
                   +0 :              -0.00432743701726
                   +1 :               0.00050838489507
                3d
                   -2 :              -0.00042884174964
                   -1 :               0.00080101452778
                   +0 :               0.00036570563514
                   +1 :               0.00193245594245
                   +2 :              -0.00117086294906
              2 vec=    -4.976970      3.115418     -4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00073129680114
                2s
                   +0 :               0.00560794381005
                3s
                   +0 :              -0.00354767905302
                2p
                   -1 :               0.00813466056585
                   +0 :              -0.00978744751793
                   +1 :              -0.00492139050819
                3p
                   -1 :              -0.00774710467192
                   +0 :               0.00622064908802
                   +1 :               0.00287642715754
                3d
                   -2 :               0.00049567768207
                   -1 :               0.00037174783397
                   +0 :              -0.00014911825941
                   +1 :              -0.00045287326874
                   +2 :              -0.00019236965233
              3 vec=    -4.976970     -5.868340     -4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00029129511351
                2s
                   +0 :              -0.00184587501564
                3s
                   +0 :               0.00088066480871
                2p
                   -1 :               0.00098454832454
                   +0 :               0.00452123054327
                   +1 :               0.00215766689026
                3p
                   -1 :              -0.00020727588384
                   +0 :              -0.00090952331009
                   +1 :              -0.00080465598912
                3d
                   -2 :              -0.00003309380721
                   -1 :               0.00005090303275
                   +0 :              -0.00020517781388
                   +1 :              -0.00003006445830
                   +2 :               0.00012088638597
              4 vec=     2.803193      7.607297     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00028322210342
                2s
                   +0 :               0.00189936569234
                3s
                   +0 :              -0.00031598875348
                2p
                   -1 :               0.00072502895987
                   +0 :              -0.00310613950173
                   +1 :              -0.00028107186255
                3p
                   -1 :              -0.00016784775498
                   +0 :               0.00049136240491
                   +1 :               0.00023033553779
                3d
                   -2 :              -0.00000241195820
                   -1 :              -0.00010682417326
                   +0 :               0.00016159659625
                   +1 :               0.00008167448655
                   +2 :              -0.00016617152818
              5 vec=     2.803193    -10.360219     -4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00061478026401
                2s
                   +0 :               0.00527457125567
                3s
                   +0 :              -0.00130175001423
                2p
                   -1 :              -0.00148831317912
                   +0 :               0.00067344179296
                   +1 :               0.00110188344224
                3p
                   -1 :               0.00062058120567
                   +0 :              -0.00001414381739
                   +1 :               0.00024060110945
                3d
                   -2 :              -0.00021025953977
                   -1 :               0.00005412524619
                   +0 :              -0.00015622828124
                   +1 :               0.00008358144857
                   +2 :              -0.00001166043669
              6 vec=    10.583355      3.115418     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00011623821390
                2s
                   +0 :              -0.00100598675765
                3s
                   +0 :               0.00041937565814
                2p
                   -1 :              -0.00028842283741
                   +0 :               0.00036811056350
                   +1 :              -0.00109470325563
                3p
                   -1 :               0.00024944347802
                   +0 :              -0.00045242903566
                   +1 :               0.00071104281500
                3d
                   -2 :               0.00007694382460
                   -1 :              -0.00008992121609
                   +0 :               0.00000131008040
                   +1 :              -0.00008899682263
                   +2 :               0.00001469273666
              7 vec=    10.583355     -5.868340     -4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00011027845167
                2s
                   +0 :              -0.00114237776600
                3s
                   +0 :               0.00016695333732
                2p
                   -1 :               0.00027268345223
                   +0 :               0.00006716969558
                   +1 :               0.00045760040360
                3p
                   -1 :               0.00023414047899
                   +0 :               0.00013687767249
                   +1 :              -0.00044737190886
                3d
                   -2 :               0.00004172570707
                   -1 :              -0.00004209532225
                   +0 :              -0.00002848265229
                   +1 :              -0.00001112552953
                   +2 :               0.00000951655057
              8 vec=   -12.757133     -1.376461     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00003968830315
                2s
                   +0 :              -0.00057917051573
                3s
                   +0 :               0.00004534553854
                2p
                   -1 :               0.00016558907503
                   +0 :               0.00005057428342
                   +1 :               0.00052579672920
                3p
                   -1 :              -0.00021343890543
                   +0 :              -0.00005071165483
                   +1 :              -0.00011257428113
                3d
                   -2 :               0.00001797305807
                   -1 :               0.00001099947343
                   +0 :              -0.00000377703964
                   +1 :               0.00000722290149
                   +2 :              -0.00005295749555
              9 vec=    -4.976970     12.099176     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00007894800874
                2s
                   +0 :               0.00085551459025
                3s
                   +0 :              -0.00021118905898
                2p
                   -1 :               0.00094117155215
                   +0 :              -0.00008677283533
                   +1 :              -0.00042399862412
                3p
                   -1 :              -0.00075995432721
                   +0 :              -0.00006374455434
                   +1 :               0.00047047676656
                3d
                   -2 :               0.00008460046355
                   -1 :               0.00000628704547
                   +0 :               0.00003380730662
                   +1 :               0.00000098911152
                   +2 :              -0.00000773580895
             10 vec=   -12.757133      7.607297     -4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00003552764784
                2s
                   +0 :               0.00020770193221
                3s
                   +0 :              -0.00011042796989
                2p
                   -1 :               0.00007553945627
                   +0 :               0.00013049030079
                   +1 :              -0.00023132652545
                3p
                   -1 :              -0.00005941638722
                   +0 :              -0.00014886911133
                   +1 :               0.00010877601105
                3d
                   -2 :               0.00000499264997
                   -1 :              -0.00000882291546
                   +0 :               0.00001181412321
                   +1 :               0.00000609314742
                   +2 :               0.00000201293541
             11 vec=    -4.976970    -14.852098     -4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00014897869040
                2s
                   +0 :               0.00154856865842
                3s
                   +0 :              -0.00021829816287
                2p
                   -1 :              -0.00138545466400
                   +0 :               0.00021429988710
                   +1 :              -0.00024979150925
                3p
                   -1 :               0.00044773946005
                   +0 :              -0.00005114927725
                   +1 :              -0.00013444798999
                3d
                   -2 :               0.00003718526371
                   -1 :               0.00000868962970
                   +0 :               0.00000507314790
                   +1 :               0.00003103790096
                   +2 :              -0.00003053481700
             12 vec=    10.583355     12.099176     -4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00000158904718
                2s
                   +0 :              -0.00008154807624
                3s
                   +0 :              -0.00007051043081
                2p
                   -1 :              -0.00007246226882
                   +0 :              -0.00005933989837
                   +1 :              -0.00014140417467
                3p
                   -1 :              -0.00008951609483
                   +0 :              -0.00009645481220
                   +1 :              -0.00000243452663
                3d
                   -2 :              -0.00004100042684
                   -1 :               0.00000522525791
                   +0 :               0.00002666498737
                   +1 :               0.00001230623967
                   +2 :              -0.00001787027680
             13 vec=   -12.757133    -10.360219     -4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00000839595265
                2s
                   +0 :               0.00003121450202
                3s
                   +0 :               0.00002895941273
                2p
                   -1 :               0.00009783022742
                   +0 :              -0.00002819943326
                   +1 :              -0.00019977231889
                3p
                   -1 :              -0.00000575251623
                   +0 :               0.00000982606230
                   +1 :               0.00007965185291
                3d
                   -2 :              -0.00000427599299
                   -1 :               0.00000575793084
                   +0 :               0.00000144835749
                   +1 :               0.00000121084043
                   +2 :               0.00001234471182
             14 vec=     2.803193     16.591055     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00001318534604
                2s
                   +0 :               0.00011752962030
                3s
                   +0 :              -0.00002376765725
                2p
                   -1 :               0.00006709922859
                   +0 :              -0.00005420477147
                   +1 :              -0.00001919665466
                3p
                   -1 :              -0.00001162904015
                   +0 :               0.00001905639989
                   +1 :               0.00001910890814
                3d
                   -2 :               0.00000624095801
                   -1 :               0.00000380759239
                   +0 :              -0.00000357223341
                   +1 :              -0.00000133141486
                   +2 :              -0.00000618597581
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805      3.115418     -4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00130859889403
                2s
                   +0 :               0.04042029552076
                3s
                   +0 :              -0.00168763633002
                2p
                   -1 :               0.01538244532036
                   +0 :              -0.02555089293919
                   +1 :               0.00252809349627
                3p
                   -1 :              -0.00408477319759
                   +0 :              -0.00138279015851
                   +1 :              -0.00222678861745
                3d
                   -2 :              -0.00025569929594
                   -1 :              -0.00152744328287
                   +0 :               0.00195740059459
                   +1 :               0.00061044968490
                   +2 :              -0.00024691304598
              2 vec=    -0.209805     -5.868340     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00036250189968
                2s
                   +0 :              -0.00278638866211
                3s
                   +0 :               0.00164973575577
                2p
                   -1 :              -0.00127969097911
                   +0 :               0.00352875736649
                   +1 :              -0.00159145534126
                3p
                   -1 :               0.00138804525518
                   +0 :               0.00419822506159
                   +1 :               0.00110578436105
                3d
                   -2 :               0.00041940852294
                   -1 :              -0.00039768155606
                   +0 :              -0.00148251747298
                   +1 :               0.00005148313661
                   +2 :              -0.00170958993563
              3 vec=     7.570358     -1.376461     -4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00006850032140
                2s
                   +0 :              -0.00130559881955
                3s
                   +0 :              -0.00042988645946
                2p
                   -1 :              -0.00043271715831
                   +0 :              -0.00294892421116
                   +1 :              -0.00150425411593
                3p
                   -1 :               0.00009521967242
                   +0 :               0.00090797614417
                   +1 :              -0.00006869572601
                3d
                   -2 :              -0.00001074478272
                   -1 :               0.00016093618084
                   +0 :               0.00018116729158
                   +1 :              -0.00019522776402
                   +2 :              -0.00007643740424
              4 vec=    -7.989968     -1.376461     -4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00024889778820
                2s
                   +0 :              -0.00241421669714
                3s
                   +0 :               0.00047258466428
                2p
                   -1 :              -0.00021668618949
                   +0 :              -0.00030060468129
                   +1 :               0.00243010040217
                3p
                   -1 :               0.00026099235902
                   +0 :              -0.00045563931510
                   +1 :              -0.00119729749800
                3d
                   -2 :              -0.00020037298599
                   -1 :              -0.00002414884785
                   +0 :               0.00003268869350
                   +1 :               0.00011359275176
                   +2 :              -0.00006742567803
              5 vec=     7.570358      7.607297     -4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00001134391849
                2s
                   +0 :               0.00020052473799
                3s
                   +0 :              -0.00016454094212
                2p
                   -1 :               0.00013248404134
                   +0 :              -0.00033091699882
                   +1 :               0.00096996932907
                3p
                   -1 :              -0.00019484428014
                   +0 :              -0.00003226028515
                   +1 :              -0.00069808173053
                3d
                   -2 :              -0.00003423175057
                   -1 :              -0.00001525209249
                   +0 :              -0.00001872531113
                   +1 :               0.00001854961103
                   +2 :              -0.00004773092624
              6 vec=    -7.989968      7.607297     -4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00002696469729
                2s
                   +0 :               0.00007327631865
                3s
                   +0 :              -0.00000755165104
                2p
                   -1 :              -0.00062434245416
                   +0 :              -0.00002633807981
                   +1 :               0.00022755143896
                3p
                   -1 :               0.00034390437302
                   +0 :              -0.00022180707521
                   +1 :              -0.00033366796963
                3d
                   -2 :              -0.00009269689991
                   -1 :               0.00003320187022
                   +0 :              -0.00000079965135
                   +1 :               0.00001543775989
                   +2 :              -0.00002119833648
              7 vec=    -0.209805     12.099176     -4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00011967911610
                2s
                   +0 :               0.00118187518572
                3s
                   +0 :              -0.00027933407724
                2p
                   -1 :               0.00060852152891
                   +0 :               0.00033917309033
                   +1 :               0.00063936462662
                3p
                   -1 :              -0.00026202649971
                   +0 :              -0.00040004099960
                   +1 :              -0.00052143288535
                3d
                   -2 :              -0.00006667914560
                   -1 :              -0.00005441377392
                   +0 :               0.00001728769298
                   +1 :              -0.00003516298748
                   +2 :              -0.00005224048752
              8 vec=     7.570358    -10.360219     -4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00005815436773
                2s
                   +0 :               0.00026158873764
                3s
                   +0 :              -0.00023008017964
                2p
                   -1 :               0.00056275368766
                   +0 :               0.00052370262801
                   +1 :               0.00042216517274
                3p
                   -1 :              -0.00013803873614
                   +0 :              -0.00006558269761
                   +1 :              -0.00007983445712
                3d
                   -2 :               0.00001777287913
                   -1 :              -0.00001943088134
                   +0 :              -0.00001744768815
                   +1 :               0.00002004610246
                   +2 :               0.00004438245350
              9 vec=    -7.989968    -10.360219     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00011927876017
                2s
                   +0 :               0.00090042985619
                3s
                   +0 :              -0.00030195180984
                2p
                   -1 :               0.00070194039810
                   +0 :               0.00052994322189
                   +1 :              -0.00131223166539
                3p
                   -1 :              -0.00022688297318
                   +0 :              -0.00018908687584
                   +1 :               0.00065986615618
                3d
                   -2 :              -0.00000744578034
                   -1 :               0.00001541537641
                   +0 :               0.00000512116110
                   +1 :              -0.00002033060697
                   +2 :               0.00001917370530
             10 vec=    -0.209805    -14.852098     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00005765020149
                2s
                   +0 :               0.00056795071150
                3s
                   +0 :              -0.00004256844526
                2p
                   -1 :              -0.00042236934691
                   +0 :               0.00007108338263
                   +1 :              -0.00006969408223
                3p
                   -1 :               0.00006042568565
                   +0 :               0.00015642557298
                   +1 :               0.00013271815559
                3d
                   -2 :              -0.00002185957314
                   -1 :              -0.00006660229045
                   +0 :              -0.00006851946628
                   +1 :               0.00000992778418
                   +2 :               0.00000981459376
             11 vec=    15.350520      3.115418     -4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00001157103042
                2s
                   +0 :              -0.00020582751357
                3s
                   +0 :              -0.00000773483456
                2p
                   -1 :              -0.00022632208489
                   +0 :               0.00001029475141
                   +1 :              -0.00016188686730
                3p
                   -1 :               0.00004566567173
                   +0 :              -0.00005144854517
                   +1 :               0.00005641279522
                3d
                   -2 :              -0.00000218656738
                   -1 :               0.00000526600608
                   +0 :              -0.00000146453734
                   +1 :              -0.00000198971689
                   +2 :              -0.00000218549221
             12 vec=   -15.770130      3.115418     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00001509909405
                2s
                   +0 :              -0.00020764028341
                3s
                   +0 :               0.00002894684012
                2p
                   -1 :              -0.00011020251812
                   +0 :               0.00006419784126
                   +1 :               0.00017972187545
                3p
                   -1 :               0.00000315606937
                   +0 :              -0.00010214520589
                   +1 :              -0.00009976790556
                3d
                   -2 :              -0.00000352204443
                   -1 :               0.00000207120657
                   +0 :              -0.00000384898961
                   +1 :               0.00000717562775
                   +2 :              -0.00000431177926
             13 vec=    15.350520     -5.868340     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00003855149434
                2s
                   +0 :              -0.00034526650800
                3s
                   +0 :               0.00008507163987
                2p
                   -1 :               0.00004886417644
                   +0 :               0.00005050554945
                   +1 :              -0.00023006101073
                3p
                   -1 :               0.00000843476020
                   +0 :              -0.00003059220518
                   +1 :               0.00015062438720
                3d
                   -2 :               0.00000765500585
                   -1 :               0.00000215424760
                   +0 :              -0.00000351196337
                   +1 :              -0.00000369240105
                   +2 :               0.00000628364145
             14 vec=   -15.770130     -5.868340     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00001208817736
                2s
                   +0 :              -0.00011584256385
                3s
                   +0 :               0.00001235252925
                2p
                   -1 :              -0.00001115607294
                   +0 :               0.00001590334599
                   +1 :               0.00001169639745
                3p
                   -1 :               0.00006653799722
                   +0 :               0.00001169397105
                   +1 :               0.00001330352245
                3d
                   -2 :              -0.00000468740589
                   -1 :              -0.00000329305377
                   +0 :              -0.00000000976946
                   +1 :               0.00000125439751
                   +2 :               0.00000613788092
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 24)  npairs=  14
              1 vec=    -2.593388     -1.013068     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00178044701461
                2s
                   +0 :              -0.01915217538715
                3s
                   +0 :               0.00356322561029
                2p
                   -1 :              -0.00290812128296
                   +0 :               0.00827613092586
                   +1 :               0.00417146327260
                3p
                   -1 :              -0.00109761467059
                   +0 :              -0.00395227883301
                   +1 :              -0.00111010787205
                3d
                   -2 :               0.00081089180946
                   -1 :               0.00176892885001
                   +0 :               0.00055618152716
                   +1 :              -0.00093999120804
                   +2 :              -0.00094627692000
              2 vec=     5.186775      3.478811     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00035033644053
                2s
                   +0 :              -0.00292828514243
                3s
                   +0 :               0.00097365298921
                2p
                   -1 :              -0.00103663902988
                   +0 :               0.00210170938521
                   +1 :               0.00257621769724
                3p
                   -1 :               0.00045297288561
                   +0 :              -0.00309281449847
                   +1 :              -0.00146652673921
                3d
                   -2 :              -0.00023982190443
                   -1 :               0.00008922898605
                   +0 :               0.00027338531226
                   +1 :               0.00027245658363
                   +2 :              -0.00006486763325
              3 vec=     5.186775     -5.504947     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00016021861938
                2s
                   +0 :              -0.00133916957020
                3s
                   +0 :              -0.00015624241136
                2p
                   -1 :               0.00101422424257
                   +0 :               0.00250342323626
                   +1 :              -0.00216521166339
                3p
                   -1 :              -0.00013965356870
                   +0 :               0.00002014937304
                   +1 :               0.00062529854064
                3d
                   -2 :              -0.00007286848223
                   -1 :               0.00022868717204
                   +0 :              -0.00018630821205
                   +1 :               0.00003167532726
                   +2 :               0.00002908436210
              4 vec=    -2.593388      7.970690     -4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00041822662154
                2s
                   +0 :               0.00258269346027
                3s
                   +0 :              -0.00075047589071
                2p
                   -1 :              -0.00250313968509
                   +0 :              -0.00129083748233
                   +1 :              -0.00063479942672
                3p
                   -1 :               0.00285112867272
                   +0 :              -0.00029050621005
                   +1 :               0.00064306702158
                3d
                   -2 :               0.00006589325243
                   -1 :               0.00002554979777
                   +0 :               0.00016103340218
                   +1 :              -0.00014709383683
                   +2 :              -0.00008202910187
              5 vec=    -2.593388     -9.996826     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00075780719685
                2s
                   +0 :               0.00731537856183
                3s
                   +0 :              -0.00110719278328
                2p
                   -1 :              -0.00177737087953
                   +0 :               0.00065282664643
                   +1 :               0.00109806751498
                3p
                   -1 :               0.00024896705550
                   +0 :               0.00015148011465
                   +1 :              -0.00221591245161
                3d
                   -2 :               0.00040183974726
                   -1 :              -0.00012464614222
                   +0 :              -0.00033546870011
                   +1 :              -0.00013032692319
                   +2 :              -0.00002203636478
              6 vec=   -10.373550      3.478811     -4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00010212262740
                2s
                   +0 :              -0.00069774927845
                3s
                   +0 :               0.00027244429810
                2p
                   -1 :              -0.00165429008609
                   +0 :               0.00077027333110
                   +1 :               0.00039469968235
                3p
                   -1 :               0.00151586040423
                   +0 :              -0.00076278284318
                   +1 :              -0.00003871381905
                3d
                   -2 :              -0.00014984915764
                   -1 :              -0.00004298817716
                   +0 :              -0.00002928358032
                   +1 :               0.00013748872946
                   +2 :              -0.00004813412449
              7 vec=   -10.373550     -5.504947     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00009906529769
                2s
                   +0 :              -0.00115117715872
                3s
                   +0 :               0.00018868806060
                2p
                   -1 :               0.00085704483027
                   +0 :               0.00085882371375
                   +1 :               0.00011547109831
                3p
                   -1 :              -0.00032987208302
                   +0 :              -0.00036037874186
                   +1 :              -0.00009131961964
                3d
                   -2 :              -0.00003037942617
                   -1 :              -0.00001257741636
                   +0 :               0.00000302731017
                   +1 :               0.00001611969295
                   +2 :               0.00001394241340
              8 vec=    12.966938     -1.013068     -4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00010418737284
                2s
                   +0 :              -0.00094648559901
                3s
                   +0 :               0.00009420746592
                2p
                   -1 :              -0.00024312409841
                   +0 :              -0.00044231678482
                   +1 :              -0.00060328112205
                3p
                   -1 :               0.00007621817072
                   +0 :               0.00032829111787
                   +1 :               0.00004356791932
                3d
                   -2 :              -0.00000754588903
                   -1 :               0.00000427784587
                   +0 :               0.00000677428111
                   +1 :               0.00003245160822
                   +2 :              -0.00003993023403
              9 vec=     5.186775     12.462569     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00003689578552
                2s
                   +0 :               0.00044597972095
                3s
                   +0 :              -0.00006101238121
                2p
                   -1 :               0.00009585326451
                   +0 :              -0.00029433764263
                   +1 :              -0.00009376792156
                3p
                   -1 :               0.00001710417922
                   +0 :               0.00002056478696
                   +1 :               0.00000910458690
                3d
                   -2 :              -0.00000509151513
                   -1 :              -0.00000560590687
                   +0 :               0.00001031680215
                   +1 :               0.00002003353265
                   +2 :               0.00002372334531
             10 vec=    12.966938      7.970690     -4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000487321880
                2s
                   +0 :              -0.00006414799217
                3s
                   +0 :               0.00001261739133
                2p
                   -1 :              -0.00002264868770
                   +0 :              -0.00001581129404
                   +1 :              -0.00001374924544
                3p
                   -1 :              -0.00001590541558
                   +0 :              -0.00005143924132
                   +1 :               0.00002972435479
                3d
                   -2 :               0.00000382724501
                   -1 :              -0.00000228627992
                   +0 :               0.00000137315191
                   +1 :               0.00000072740942
                   +2 :               0.00001692174702
             11 vec=     5.186775    -14.488705     -4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00010974398779
                2s
                   +0 :               0.00117235474657
                3s
                   +0 :              -0.00020193168810
                2p
                   -1 :              -0.00082298270211
                   +0 :               0.00010098394714
                   +1 :               0.00043467441371
                3p
                   -1 :               0.00029719649886
                   +0 :              -0.00002767793675
                   +1 :              -0.00006538371891
                3d
                   -2 :              -0.00002075216703
                   -1 :               0.00002121796604
                   +0 :               0.00000085455878
                   +1 :              -0.00001281992785
                   +2 :              -0.00001157602954
             12 vec=   -10.373550     12.462569     -4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00002788918882
                2s
                   +0 :              -0.00026691169423
                3s
                   +0 :               0.00000948277002
                2p
                   -1 :              -0.00024204050900
                   +0 :               0.00000300736214
                   +1 :               0.00018761685041
                3p
                   -1 :              -0.00001374033419
                   +0 :              -0.00013254031952
                   +1 :              -0.00000960394527
                3d
                   -2 :               0.00003213583707
                   -1 :               0.00000881263346
                   +0 :               0.00002693978775
                   +1 :               0.00001716095713
                   +2 :               0.00000457577092
             13 vec=    12.966938     -9.996826     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00002767430887
                2s
                   +0 :              -0.00019411499079
                3s
                   +0 :               0.00007094002215
                2p
                   -1 :               0.00029145338885
                   +0 :              -0.00005233773715
                   +1 :               0.00003634613700
                3p
                   -1 :              -0.00011526898834
                   +0 :               0.00006384281408
                   +1 :              -0.00001437290202
                3d
                   -2 :               0.00000310654673
                   -1 :              -0.00000664339182
                   +0 :               0.00000192923097
                   +1 :               0.00000440581967
                   +2 :              -0.00000429394686
             14 vec=    -2.593388     16.954448     -4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00002492878123
                2s
                   +0 :               0.00019624840638
                3s
                   +0 :              -0.00005174043013
                2p
                   -1 :               0.00003970711690
                   +0 :              -0.00002677428966
                   +1 :              -0.00003097781645
                3p
                   -1 :               0.00002405539692
                   +0 :              -0.00002280864537
                   +1 :               0.00002502362017
                3d
                   -2 :               0.00001365083629
                   -1 :              -0.00000125047065
                   +0 :              -0.00000126325978
                   +1 :              -0.00000672508985
                   +2 :              -0.00000010799469
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 25)  npairs=  15
              1 vec=     4.976970      0.363094     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00070263414460
                2s
                   +0 :              -0.00692602831198
                3s
                   +0 :               0.00123332483107
                2p
                   -1 :              -0.00033141349689
                   +0 :               0.00283858059364
                   +1 :              -0.00102629728633
                3p
                   -1 :              -0.00078939788798
                   +0 :              -0.00020974374084
                   +1 :              -0.00008006034422
                3d
                   -2 :              -0.00021294957273
                   -1 :               0.00016053738224
                   +0 :              -0.00023322720566
                   +1 :               0.00011762953248
                   +2 :              -0.00001496961453
              2 vec=    -2.803193     -4.128785     -8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00012806682594
                2s
                   +0 :               0.00080846839470
                3s
                   +0 :              -0.00014934744661
                2p
                   -1 :              -0.00322333804616
                   +0 :               0.00121708422817
                   +1 :               0.00145223746526
                3p
                   -1 :               0.00233948702907
                   +0 :              -0.00185989729343
                   +1 :              -0.00215710691729
                3d
                   -2 :               0.00009523443688
                   -1 :              -0.00001450748939
                   +0 :               0.00014743314437
                   +1 :               0.00017896873216
                   +2 :              -0.00002170408137
              3 vec=    -2.803193      4.854973     -8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00021181272567
                2s
                   +0 :               0.00183185692936
                3s
                   +0 :              -0.00014565122407
                2p
                   -1 :               0.00127335698057
                   +0 :              -0.00089705167903
                   +1 :              -0.00302326103124
                3p
                   -1 :              -0.00072332978637
                   +0 :              -0.00084011499273
                   +1 :               0.00119257305385
                3d
                   -2 :              -0.00004466387052
                   -1 :               0.00007232668893
                   +0 :               0.00010120964511
                   +1 :               0.00004882583150
                   +2 :               0.00009888717101
              4 vec=     4.976970     -8.620664     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00001447618036
                2s
                   +0 :               0.00007740528103
                3s
                   +0 :               0.00016711151551
                2p
                   -1 :               0.00029879679724
                   +0 :               0.00065116008504
                   +1 :               0.00075585746930
                3p
                   -1 :              -0.00013983560465
                   +0 :              -0.00029674746100
                   +1 :              -0.00022809051420
                3d
                   -2 :              -0.00002108922092
                   -1 :               0.00006014397282
                   +0 :              -0.00005335297957
                   +1 :              -0.00002549557698
                   +2 :              -0.00002316534959
              5 vec=     4.976970      9.346852     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00003243611588
                2s
                   +0 :               0.00018276947252
                3s
                   +0 :               0.00010700069109
                2p
                   -1 :               0.00022618070552
                   +0 :              -0.00028221172313
                   +1 :               0.00010975549894
                3p
                   -1 :               0.00003010135034
                   +0 :               0.00008261420596
                   +1 :               0.00015152981597
                3d
                   -2 :               0.00002806833785
                   -1 :               0.00000266382662
                   +0 :              -0.00000273073819
                   +1 :              -0.00000335165467
                   +2 :               0.00001089999516
              6 vec=   -10.583355      0.363094     -8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00001949084852
                2s
                   +0 :              -0.00045945316447
                3s
                   +0 :              -0.00000535377473
                2p
                   -1 :               0.00018047103983
                   +0 :               0.00001621443253
                   +1 :               0.00030113808151
                3p
                   -1 :              -0.00019155160441
                   +0 :              -0.00010530386948
                   +1 :              -0.00005102817150
                3d
                   -2 :               0.00000977074799
                   -1 :               0.00003559439399
                   +0 :              -0.00001456145738
                   +1 :               0.00002289595336
                   +2 :              -0.00002331610385
              7 vec=    12.757133     -4.128785     -8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00003749276984
                2s
                   +0 :              -0.00044683231630
                3s
                   +0 :               0.00005041009416
                2p
                   -1 :               0.00001461801061
                   +0 :               0.00011478044358
                   +1 :              -0.00023106943245
                3p
                   -1 :               0.00003095985620
                   +0 :              -0.00006544258108
                   +1 :               0.00003342031205
                3d
                   -2 :               0.00000532602843
                   -1 :              -0.00000682701583
                   +0 :               0.00001873347165
                   +1 :               0.00000127388052
                   +2 :              -0.00001031659037
              8 vec=    -2.803193    -13.112543     -8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00005941758013
                2s
                   +0 :               0.00088602264515
                3s
                   +0 :               0.00003229652891
                2p
                   -1 :              -0.00018407507324
                   +0 :              -0.00042577219711
                   +1 :               0.00010284536410
                3p
                   -1 :              -0.00005314987418
                   +0 :               0.00005893460082
                   +1 :              -0.00005308137539
                3d
                   -2 :              -0.00001273176827
                   -1 :               0.00003651446627
                   +0 :               0.00002844688459
                   +1 :              -0.00003575978337
                   +2 :              -0.00001007304499
              9 vec=    12.757133      4.854973     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00000918170340
                2s
                   +0 :              -0.00011869461880
                3s
                   +0 :               0.00000170220929
                2p
                   -1 :               0.00004062174363
                   +0 :              -0.00026017209541
                   +1 :               0.00001388787489
                3p
                   -1 :              -0.00006284431309
                   +0 :               0.00021932464912
                   +1 :               0.00001177393670
                3d
                   -2 :               0.00000078573573
                   -1 :              -0.00000262215623
                   +0 :              -0.00000992763684
                   +1 :               0.00001022913397
                   +2 :               0.00000878154801
             10 vec=   -10.583355     -8.620664     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00000412786228
                2s
                   +0 :               0.00001818999449
                3s
                   +0 :              -0.00003321150167
                2p
                   -1 :               0.00013961329279
                   +0 :               0.00001699019734
                   +1 :               0.00008977751564
                3p
                   -1 :               0.00002715023341
                   +0 :               0.00009675840253
                   +1 :              -0.00008887291574
                3d
                   -2 :               0.00000689934046
                   -1 :              -0.00002274324616
                   +0 :              -0.00000273406786
                   +1 :              -0.00000148776082
                   +2 :               0.00001428994649
             11 vec=    -2.803193     13.838731     -8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00000233744361
                2s
                   +0 :               0.00011486448199
                3s
                   +0 :              -0.00001635527171
                2p
                   -1 :              -0.00000277928886
                   +0 :              -0.00016259225807
                   +1 :              -0.00008858445612
                3p
                   -1 :               0.00007740202054
                   +0 :               0.00003910192813
                   +1 :               0.00007985279515
                3d
                   -2 :               0.00001025652366
                   -1 :               0.00001186373535
                   +0 :              -0.00000198982487
                   +1 :              -0.00000814518297
                   +2 :               0.00000641865204
             12 vec=   -10.583355      9.346852     -8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00001031791142
                2s
                   +0 :              -0.00007742714685
                3s
                   +0 :               0.00000024703808
                2p
                   -1 :              -0.00011130296077
                   +0 :              -0.00003929156438
                   +1 :              -0.00002335376551
                3p
                   -1 :               0.00010323155034
                   +0 :               0.00000714029419
                   +1 :              -0.00000715223458
                3d
                   -2 :               0.00000035936525
                   -1 :              -0.00000306499437
                   +0 :              -0.00000894455584
                   +1 :              -0.00000556243466
                   +2 :               0.00000051861462
             13 vec=     4.976970      0.363094     16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00000156257022
                2s
                   +0 :               0.00006610494066
                3s
                   +0 :               0.00002206866700
                2p
                   -1 :              -0.00005345138704
                   +0 :               0.00003265987776
                   +1 :               0.00003481574761
                3p
                   -1 :              -0.00001939851251
                   +0 :               0.00005227139009
                   +1 :              -0.00002569046873
                3d
                   -2 :               0.00000325142544
                   -1 :              -0.00000820280499
                   +0 :               0.00001290734698
                   +1 :               0.00000185691710
                   +2 :              -0.00000365138350
             14 vec=    -2.803193     -4.128785     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00001821213885
                2s
                   +0 :               0.00012504812881
                3s
                   +0 :              -0.00005577738101
                2p
                   -1 :              -0.00012891959605
                   +0 :               0.00011850040770
                   +1 :               0.00005290039211
                3p
                   -1 :               0.00008474091188
                   +0 :              -0.00007914769540
                   +1 :              -0.00003067857214
                3d
                   -2 :               0.00000163121159
                   -1 :               0.00000530934545
                   +0 :               0.00000599100207
                   +1 :              -0.00000769769165
                   +2 :              -0.00000257316722
             15 vec=    -2.803193      4.854973     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001100717585
                2s
                   +0 :               0.00006518475108
                3s
                   +0 :              -0.00001484192773
                2p
                   -1 :              -0.00011933517938
                   +0 :               0.00005239370984
                   +1 :              -0.00008972708943
                3p
                   -1 :               0.00007563026814
                   +0 :              -0.00003981524979
                   +1 :               0.00005036521897
                3d
                   -2 :               0.00000336947047
                   -1 :               0.00000356357935
                   +0 :              -0.00000121809282
                   +1 :               0.00000075879152
                   +2 :              -0.00000400209761
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 26)  npairs=  14
              1 vec=     0.209805      0.363094     -8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00036328880047
                2s
                   +0 :               0.00161280739242
                3s
                   +0 :              -0.00083907906654
                2p
                   -1 :              -0.00154742520893
                   +0 :              -0.00085842843472
                   +1 :               0.00105481315737
                3p
                   -1 :               0.00071378496911
                   +0 :               0.00013747384905
                   +1 :              -0.00076012056595
                3d
                   -2 :               0.00003914529595
                   -1 :              -0.00005305647768
                   +0 :              -0.00004353023210
                   +1 :               0.00003127227725
                   +2 :              -0.00015431629208
              2 vec=    -7.570358     -4.128785     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00011414268492
                2s
                   +0 :               0.00032828610447
                3s
                   +0 :              -0.00048354936053
                2p
                   -1 :              -0.00025767830731
                   +0 :               0.00024978340996
                   +1 :              -0.00063501384705
                3p
                   -1 :               0.00031892489298
                   +0 :               0.00000712642925
                   +1 :               0.00072520998413
                3d
                   -2 :              -0.00003211919485
                   -1 :               0.00002841295308
                   +0 :               0.00002850986518
                   +1 :              -0.00001673149873
                   +2 :              -0.00003865199478
              3 vec=     0.209805     -8.620664     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00020595275473
                2s
                   +0 :               0.00279979415625
                3s
                   +0 :               0.00002837338893
                2p
                   -1 :               0.00187493415292
                   +0 :              -0.00018325050239
                   +1 :              -0.00118559978658
                3p
                   -1 :              -0.00093666039124
                   +0 :              -0.00069054593577
                   +1 :               0.00108291910678
                3d
                   -2 :              -0.00008403471905
                   -1 :               0.00009075963797
                   +0 :               0.00025823407743
                   +1 :              -0.00007851896329
                   +2 :              -0.00000724983962
              4 vec=    -7.570358      4.854973     -8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00023711363056
                2s
                   +0 :              -0.00144033604877
                3s
                   +0 :               0.00079050051527
                2p
                   -1 :              -0.00025525750022
                   +0 :               0.00031063735704
                   +1 :               0.00111990199455
                3p
                   -1 :              -0.00004804198792
                   +0 :              -0.00027534003749
                   +1 :              -0.00117930917136
                3d
                   -2 :              -0.00002876148617
                   -1 :              -0.00003175668445
                   +0 :               0.00002839016497
                   +1 :               0.00013524955839
                   +2 :               0.00010047967565
              5 vec=     7.989968     -4.128785     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00010940089713
                2s
                   +0 :              -0.00119161673706
                3s
                   +0 :               0.00003705629648
                2p
                   -1 :               0.00035203119849
                   +0 :               0.00035662781083
                   +1 :              -0.00115725292593
                3p
                   -1 :              -0.00022951015054
                   +0 :               0.00002892802069
                   +1 :               0.00050008067667
                3d
                   -2 :               0.00002721479105
                   -1 :               0.00001332385229
                   +0 :              -0.00001016953365
                   +1 :               0.00002231354397
                   +2 :              -0.00006082908551
              6 vec=     0.209805      9.346852     -8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00008834884811
                2s
                   +0 :               0.00091783149956
                3s
                   +0 :              -0.00020958990253
                2p
                   -1 :               0.00044740229237
                   +0 :              -0.00113285049811
                   +1 :               0.00049517637813
                3p
                   -1 :              -0.00014763046900
                   +0 :               0.00041566224681
                   +1 :              -0.00047360682085
                3d
                   -2 :              -0.00001583253102
                   -1 :              -0.00003663707876
                   +0 :               0.00001950690655
                   +1 :               0.00006248418430
                   +2 :               0.00001154638626
              7 vec=     7.989968      4.854973     -8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00004116535924
                2s
                   +0 :              -0.00040859885215
                3s
                   +0 :               0.00004184756446
                2p
                   -1 :              -0.00046329508042
                   +0 :              -0.00073503021239
                   +1 :               0.00064078212508
                3p
                   -1 :               0.00006494936922
                   +0 :               0.00051940263456
                   +1 :              -0.00050137714345
                3d
                   -2 :              -0.00000525130033
                   -1 :              -0.00000195866480
                   +0 :               0.00000475782471
                   +1 :               0.00002619723182
                   +2 :              -0.00001021598889
              8 vec=     0.209805      0.363094     16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000023411268
                2s
                   +0 :              -0.00001525759505
                3s
                   +0 :               0.00000676832598
                2p
                   -1 :              -0.00003735250456
                   +0 :              -0.00005597966177
                   +1 :               0.00000509034210
                3p
                   -1 :               0.00000136311553
                   +0 :               0.00005163682954
                   +1 :              -0.00000534411828
                3d
                   -2 :              -0.00000426085319
                   -1 :              -0.00000407233811
                   +0 :               0.00000130100053
                   +1 :              -0.00000164228273
                   +2 :              -0.00000078528283
              9 vec=    -7.570358    -13.112543     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00003383413966
                2s
                   +0 :               0.00044332582119
                3s
                   +0 :              -0.00005828678452
                2p
                   -1 :              -0.00003002551226
                   +0 :              -0.00000988050741
                   +1 :              -0.00019606782091
                3p
                   -1 :               0.00001685592241
                   +0 :              -0.00005088183620
                   +1 :               0.00000616046676
                3d
                   -2 :               0.00000256178239
                   -1 :              -0.00000771800548
                   +0 :              -0.00001774083437
                   +1 :               0.00001811601238
                   +2 :               0.00000372281570
             10 vec=   -15.350520      0.363094     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00003012815809
                2s
                   +0 :              -0.00031916894098
                3s
                   +0 :               0.00004577641302
                2p
                   -1 :              -0.00011128936810
                   +0 :               0.00005775137319
                   +1 :               0.00007238465534
                3p
                   -1 :               0.00007073457115
                   +0 :               0.00000036778837
                   +1 :               0.00002888914869
                3d
                   -2 :              -0.00000521288123
                   -1 :               0.00000231258261
                   +0 :              -0.00000213380028
                   +1 :               0.00000220369649
                   +2 :              -0.00000256235523
             11 vec=     7.989968    -13.112543     -8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00003352351693
                2s
                   +0 :               0.00028059268260
                3s
                   +0 :              -0.00008051476394
                2p
                   -1 :               0.00005902425499
                   +0 :               0.00005553246845
                   +1 :               0.00022646161838
                3p
                   -1 :              -0.00000832676543
                   +0 :              -0.00000172529583
                   +1 :              -0.00009016689128
                3d
                   -2 :              -0.00000155044379
                   -1 :              -0.00000819808133
                   +0 :              -0.00001029126497
                   +1 :               0.00000324337955
                   +2 :               0.00000000479008
             12 vec=    -7.570358     13.838731     -8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000015663049
                2s
                   +0 :              -0.00000963652637
                3s
                   +0 :               0.00000734344963
                2p
                   -1 :               0.00004193870377
                   +0 :               0.00000980936404
                   +1 :               0.00017084913654
                3p
                   -1 :              -0.00002255921723
                   +0 :              -0.00001994577023
                   +1 :              -0.00018173517937
                3d
                   -2 :              -0.00000725878368
                   -1 :               0.00000214209302
                   +0 :               0.00001038491796
                   +1 :               0.00000700003496
                   +2 :               0.00000039281997
             13 vec=    15.770130      0.363094     -8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00004314501499
                2s
                   +0 :              -0.00038981099249
                3s
                   +0 :               0.00009126698207
                2p
                   -1 :              -0.00002960065617
                   +0 :               0.00004620240047
                   +1 :              -0.00012393490743
                3p
                   -1 :              -0.00000030713077
                   +0 :              -0.00000862659275
                   +1 :               0.00004427408484
                3d
                   -2 :               0.00000070089028
                   -1 :               0.00000157707799
                   +0 :              -0.00000398961267
                   +1 :              -0.00000383925309
                   +2 :               0.00000542068149
             14 vec=     7.989968     13.838731     -8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000522645704
                2s
                   +0 :               0.00003678847347
                3s
                   +0 :              -0.00002299073976
                2p
                   -1 :               0.00000609070541
                   +0 :              -0.00005081748806
                   +1 :               0.00007857945431
                3p
                   -1 :               0.00001255321022
                   +0 :               0.00002506515633
                   +1 :              -0.00001417691998
                3d
                   -2 :               0.00000200033885
                   -1 :               0.00000124813158
                   +0 :              -0.00000203820481
                   +1 :              -0.00000194992120
                   +2 :               0.00000247337567
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 27)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00028199001167
                2s
                   +0 :               0.00214748059446
                3s
                   +0 :              -0.00041177288739
                2p
                   -1 :              -0.00004427003501
                   +0 :              -0.00230418258979
                   +1 :               0.00154993972224
                3p
                   -1 :               0.00012529709504
                   +0 :               0.00018065414914
                   +1 :               0.00045072759981
                3d
                   -2 :               0.00009999048592
                   -1 :              -0.00002129515201
                   +0 :               0.00001208470052
                   +1 :              -0.00023413021512
                   +2 :               0.00006031825584
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00049650342664
                2s
                   +0 :              -0.00569379825463
                3s
                   +0 :               0.00049807818611
                2p
                   -1 :               0.00035587402449
                   +0 :               0.00220277299800
                   +1 :               0.00069784122028
                3p
                   -1 :              -0.00054480299551
                   +0 :               0.00028294376339
                   +1 :               0.00042481301479
                3d
                   -2 :               0.00003851641566
                   -1 :              -0.00002896076963
                   +0 :              -0.00023713697650
                   +1 :              -0.00020682846176
                   +2 :              -0.00003459820106
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00011016436696
                2s
                   +0 :               0.00009606529384
                3s
                   +0 :              -0.00023781839502
                2p
                   -1 :              -0.00083947903040
                   +0 :               0.00120734879425
                   +1 :               0.00058349562739
                3p
                   -1 :               0.00069182832854
                   +0 :              -0.00108426351545
                   +1 :               0.00061531718833
                3d
                   -2 :              -0.00015340242040
                   -1 :              -0.00010442028347
                   +0 :               0.00012836557129
                   +1 :              -0.00012262385439
                   +2 :               0.00003964315423
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001112469462
                2s
                   +0 :               0.00048742763958
                3s
                   +0 :              -0.00004712279700
                2p
                   -1 :               0.00034627328074
                   +0 :              -0.00072327281967
                   +1 :              -0.00073076723530
                3p
                   -1 :              -0.00018702348033
                   +0 :               0.00064009831223
                   +1 :               0.00041286382699
                3d
                   -2 :               0.00000371408134
                   -1 :               0.00001564897275
                   +0 :              -0.00005745167198
                   +1 :              -0.00000315804957
                   +2 :              -0.00003506535696
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001782059623
                2s
                   +0 :              -0.00045063009627
                3s
                   +0 :              -0.00009929032931
                2p
                   -1 :              -0.00008851238778
                   +0 :              -0.00009681576988
                   +1 :               0.00009959274180
                3p
                   -1 :               0.00008752576716
                   +0 :               0.00004311573896
                   +1 :              -0.00025714664260
                3d
                   -2 :              -0.00001617669109
                   -1 :               0.00003027103658
                   +0 :               0.00000284730446
                   +1 :              -0.00000221910549
                   +2 :              -0.00001405007937
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00010221018062
                2s
                   +0 :               0.00082948813981
                3s
                   +0 :              -0.00006759574403
                2p
                   -1 :               0.00030010321903
                   +0 :              -0.00049232504207
                   +1 :              -0.00070256453463
                3p
                   -1 :              -0.00008911406025
                   +0 :               0.00042627309811
                   +1 :               0.00023345535619
                3d
                   -2 :               0.00004552059044
                   -1 :              -0.00002676178812
                   +0 :              -0.00007045429705
                   +1 :               0.00001699857104
                   +2 :               0.00000331473259
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000988893936
                2s
                   +0 :              -0.00002787441078
                3s
                   +0 :               0.00005957071243
                2p
                   -1 :              -0.00007970014267
                   +0 :              -0.00005790978688
                   +1 :              -0.00009254417798
                3p
                   -1 :               0.00010317172631
                   +0 :              -0.00002278378291
                   +1 :               0.00006328556760
                3d
                   -2 :               0.00000541887479
                   -1 :              -0.00000143714503
                   +0 :              -0.00000256691954
                   +1 :              -0.00000270625140
                   +2 :              -0.00000170486655
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00003249573783
                2s
                   +0 :              -0.00030091915382
                3s
                   +0 :               0.00007150886128
                2p
                   -1 :              -0.00030654050689
                   +0 :              -0.00014043208663
                   +1 :              -0.00012484893217
                3p
                   -1 :               0.00020547921658
                   +0 :               0.00008460619655
                   +1 :               0.00009212470654
                3d
                   -2 :               0.00000293177988
                   -1 :              -0.00000165202937
                   +0 :               0.00000236396259
                   +1 :              -0.00000228201918
                   +2 :              -0.00000752977972
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00003222686579
                2s
                   +0 :               0.00014446337157
                3s
                   +0 :              -0.00014059418580
                2p
                   -1 :              -0.00015637452908
                   +0 :              -0.00022480948175
                   +1 :              -0.00024504883680
                3p
                   -1 :               0.00005141829538
                   +0 :               0.00021488587056
                   +1 :               0.00013950037482
                3d
                   -2 :              -0.00000548637014
                   -1 :               0.00000894353298
                   +0 :              -0.00000341677146
                   +1 :              -0.00000928981400
                   +2 :              -0.00000894212491
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001644176617
                2s
                   +0 :              -0.00016091627735
                3s
                   +0 :               0.00000504286484
                2p
                   -1 :               0.00017735038493
                   +0 :               0.00002352241540
                   +1 :               0.00018648038968
                3p
                   -1 :              -0.00011542853588
                   +0 :               0.00000356987272
                   +1 :              -0.00008444300101
                3d
                   -2 :               0.00000284077353
                   -1 :               0.00000061896828
                   +0 :               0.00000012767191
                   +1 :              -0.00000306506982
                   +2 :               0.00000984078169
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000036680823
                2s
                   +0 :              -0.00003325216218
                3s
                   +0 :               0.00000542011799
                2p
                   -1 :               0.00011824707275
                   +0 :               0.00027099065604
                   +1 :               0.00020147979553
                3p
                   -1 :               0.00001113929169
                   +0 :              -0.00016039301863
                   +1 :              -0.00011360355754
                3d
                   -2 :               0.00000069560138
                   -1 :               0.00000683220687
                   +0 :              -0.00000147868386
                   +1 :               0.00000440599625
                   +2 :               0.00001395738654
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00012031462731
                2s
                   +0 :               0.00107072294523
                3s
                   +0 :              -0.00024940825036
                2p
                   -1 :              -0.00022824262737
                   +0 :               0.00017847959723
                   +1 :               0.00010628241017
                3p
                   -1 :               0.00006391425607
                   +0 :              -0.00016568807972
                   +1 :              -0.00005199777414
                3d
                   -2 :               0.00001861498414
                   -1 :              -0.00000310487753
                   +0 :               0.00000949849515
                   +1 :               0.00000396812019
                   +2 :               0.00001177937502
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00001110545232
                2s
                   +0 :               0.00009299425291
                3s
                   +0 :              -0.00001984643309
                2p
                   -1 :               0.00000324543512
                   +0 :               0.00004870474087
                   +1 :               0.00005994380950
                3p
                   -1 :              -0.00002518955459
                   +0 :               0.00000588085339
                   +1 :              -0.00004842948532
                3d
                   -2 :              -0.00000163151886
                   -1 :               0.00000029515539
                   +0 :               0.00000224500665
                   +1 :              -0.00000195191015
                   +2 :              -0.00000028303385
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00002799783129
                2s
                   +0 :               0.00019129684166
                3s
                   +0 :              -0.00007143431970
                2p
                   -1 :              -0.00004213246443
                   +0 :               0.00011057707968
                   +1 :               0.00001554489796
                3p
                   -1 :              -0.00000538709478
                   +0 :              -0.00004302890331
                   +1 :              -0.00004855527417
                3d
                   -2 :               0.00000316941974
                   -1 :              -0.00000324544520
                   +0 :               0.00000260873640
                   +1 :              -0.00000554749487
                   +2 :               0.00000327022496
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000506683456
                2s
                   +0 :               0.00001386495046
                3s
                   +0 :              -0.00002761515884
                2p
                   -1 :              -0.00001800240709
                   +0 :              -0.00000338289118
                   +1 :              -0.00001380764991
                3p
                   -1 :              -0.00001015514065
                   +0 :              -0.00002514837684
                   +1 :              -0.00001307276123
                3d
                   -2 :               0.00000024220917
                   -1 :              -0.00000027768658
                   +0 :              -0.00000667433992
                   +1 :              -0.00000389773284
                   +2 :              -0.00000029079335
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 28)  npairs=  14
              1 vec=     0.209286      3.115717      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00248510942302
                2s
                   +0 :               0.05105386661744
                3s
                   +0 :              -0.00331601634417
                2p
                   -1 :               0.01902657305393
                   +0 :               0.03004431920184
                   +1 :              -0.00446767777784
                3p
                   -1 :              -0.00279775980770
                   +0 :               0.00139462651190
                   +1 :               0.00398818890305
                3d
                   -2 :               0.00034837158943
                   -1 :               0.00245270448723
                   +0 :               0.00223338913815
                   +1 :               0.00063518700649
                   +2 :              -0.00060871008067
              2 vec=     0.209286     -5.868041      4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00216333119108
                2s
                   +0 :              -0.01548311057212
                3s
                   +0 :               0.00666517430068
                2p
                   -1 :               0.01257898939903
                   +0 :              -0.00139540347214
                   +1 :               0.00056371867266
                3p
                   -1 :              -0.00905090598343
                   +0 :              -0.00024427178944
                   +1 :              -0.00094216410170
                3d
                   -2 :               0.00008006081545
                   -1 :              -0.00016788556138
                   +0 :              -0.00026494628853
                   +1 :               0.00004891037843
                   +2 :              -0.00065082671721
              3 vec=    -7.570876     -1.376162      4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00017070303233
                2s
                   +0 :              -0.00096081885410
                3s
                   +0 :               0.00024136714725
                2p
                   -1 :               0.00024270650655
                   +0 :               0.00227302102857
                   +1 :               0.00216247732759
                3p
                   -1 :              -0.00060960406534
                   +0 :              -0.00110902819115
                   +1 :              -0.00076769550155
                3d
                   -2 :               0.00008578695761
                   -1 :              -0.00021364507800
                   +0 :               0.00008360034994
                   +1 :              -0.00000589317472
                   +2 :              -0.00002057167116
              4 vec=     7.989449     -1.376162      4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00002590317121
                2s
                   +0 :              -0.00028897089337
                3s
                   +0 :               0.00003046416080
                2p
                   -1 :              -0.00098500149689
                   +0 :               0.00081184005166
                   +1 :              -0.00392014154139
                3p
                   -1 :               0.00040419383076
                   +0 :              -0.00024548184922
                   +1 :               0.00316330564911
                3d
                   -2 :              -0.00002428899720
                   -1 :               0.00003996195733
                   +0 :              -0.00000805128818
                   +1 :               0.00004369071768
                   +2 :               0.00010033644617
              5 vec=    -7.570876      7.607596      4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00016908398060
                2s
                   +0 :               0.00156800824352
                3s
                   +0 :              -0.00055462063871
                2p
                   -1 :               0.00079231426983
                   +0 :              -0.00012664983111
                   +1 :              -0.00108150655669
                3p
                   -1 :              -0.00053589420768
                   +0 :               0.00028740029182
                   +1 :               0.00062793462376
                3d
                   -2 :               0.00003510927171
                   -1 :               0.00006073179195
                   +0 :              -0.00002064919258
                   +1 :              -0.00000627773066
                   +2 :              -0.00003495532956
              6 vec=     7.989449      7.607596      4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00006985023113
                2s
                   +0 :               0.00060248010607
                3s
                   +0 :              -0.00002490090381
                2p
                   -1 :              -0.00070956160221
                   +0 :               0.00017808265140
                   +1 :               0.00037711271099
                3p
                   -1 :               0.00066088054488
                   +0 :              -0.00000302687452
                   +1 :              -0.00000557167281
                3d
                   -2 :               0.00010067519341
                   -1 :              -0.00004162236788
                   +0 :              -0.00001615693772
                   +1 :               0.00002886327100
                   +2 :              -0.00002467270627
              7 vec=     0.209286     12.099475      4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00010141602895
                2s
                   +0 :               0.00133759586797
                3s
                   +0 :              -0.00026787875602
                2p
                   -1 :               0.00044967618433
                   +0 :              -0.00003874090003
                   +1 :              -0.00057212081969
                3p
                   -1 :              -0.00014876946026
                   +0 :               0.00010610048262
                   +1 :               0.00039573053212
                3d
                   -2 :               0.00005006179307
                   -1 :              -0.00000158336042
                   +0 :               0.00000764633809
                   +1 :              -0.00000956731418
                   +2 :               0.00000694784702
              8 vec=    -7.570876    -10.359920      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00005760438831
                2s
                   +0 :              -0.00081651466282
                3s
                   +0 :               0.00003265969944
                2p
                   -1 :              -0.00009513516616
                   +0 :              -0.00038153748065
                   +1 :               0.00060487924403
                3p
                   -1 :               0.00021333492171
                   +0 :               0.00011692113035
                   +1 :              -0.00044540166254
                3d
                   -2 :              -0.00001149749197
                   -1 :              -0.00001490289360
                   +0 :              -0.00001043459290
                   +1 :               0.00001114850124
                   +2 :               0.00003177631645
              9 vec=     7.989449    -10.359920      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00008990037404
                2s
                   +0 :              -0.00089886310412
                3s
                   +0 :               0.00011929369539
                2p
                   -1 :               0.00023857486019
                   +0 :              -0.00026280884929
                   +1 :               0.00010300487099
                3p
                   -1 :              -0.00013223935588
                   +0 :              -0.00000408680792
                   +1 :              -0.00020756260113
                3d
                   -2 :              -0.00002672595447
                   -1 :              -0.00002713583885
                   +0 :              -0.00002812608147
                   +1 :              -0.00002469339002
                   +2 :              -0.00000888331143
             10 vec=     0.209286    -14.851799      4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00001313645573
                2s
                   +0 :              -0.00001362551886
                3s
                   +0 :               0.00000562175925
                2p
                   -1 :               0.00011491950351
                   +0 :               0.00014461534176
                   +1 :              -0.00009305897302
                3p
                   -1 :              -0.00000021002138
                   +0 :               0.00000414699331
                   +1 :               0.00007697259838
                3d
                   -2 :              -0.00000615290368
                   -1 :              -0.00000054138315
                   +0 :               0.00000231581085
                   +1 :              -0.00000042920082
                   +2 :               0.00000655033964
             11 vec=   -15.351039      3.115717      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000031460612
                2s
                   +0 :              -0.00000928921102
                3s
                   +0 :              -0.00001161760959
                2p
                   -1 :               0.00003238406571
                   +0 :              -0.00000237219201
                   +1 :              -0.00006816056481
                3p
                   -1 :              -0.00006898769419
                   +0 :              -0.00001363952243
                   +1 :               0.00001665962632
                3d
                   -2 :               0.00000552308087
                   -1 :              -0.00000427048997
                   +0 :              -0.00000355609831
                   +1 :               0.00000685120026
                   +2 :              -0.00000027616331
             12 vec=    15.769612      3.115717      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00000496818301
                2s
                   +0 :              -0.00005472528010
                3s
                   +0 :               0.00000978936293
                2p
                   -1 :              -0.00003811952015
                   +0 :              -0.00006307159758
                   +1 :               0.00003215743715
                3p
                   -1 :              -0.00001144603280
                   +0 :               0.00003404847377
                   +1 :              -0.00000751620661
                3d
                   -2 :               0.00000567733259
                   -1 :              -0.00000674618390
                   +0 :              -0.00000379248415
                   +1 :               0.00000520592262
                   +2 :               0.00000240661602
             13 vec=   -15.351039     -5.868041      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00002938229281
                2s
                   +0 :              -0.00030111652472
                3s
                   +0 :               0.00003706442491
                2p
                   -1 :              -0.00002806260772
                   +0 :              -0.00002074473379
                   +1 :               0.00017049153839
                3p
                   -1 :               0.00004185424143
                   +0 :              -0.00001858024078
                   +1 :              -0.00006661624177
                3d
                   -2 :              -0.00000937804771
                   -1 :              -0.00000195141617
                   +0 :              -0.00000517541682
                   +1 :              -0.00000424378797
                   +2 :               0.00000070031342
             14 vec=    15.769612     -5.868041      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00001663347603
                2s
                   +0 :              -0.00023362303419
                3s
                   +0 :               0.00000520241286
                2p
                   -1 :              -0.00003273692286
                   +0 :              -0.00005568224944
                   +1 :              -0.00002989743302
                3p
                   -1 :               0.00006669453332
                   +0 :              -0.00000625417532
                   +1 :              -0.00005058820344
                3d
                   -2 :               0.00000804153157
                   -1 :               0.00000327365810
                   +0 :              -0.00000252305808
                   +1 :               0.00000045204372
                   +2 :              -0.00000106264919
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 29)  npairs=  14
              1 vec=    -2.802674     -1.376162      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00116201509694
                2s
                   +0 :              -0.01069531745857
                3s
                   +0 :              -0.00371116714318
                2p
                   -1 :              -0.00500821289218
                   +0 :              -0.01328573103844
                   +1 :              -0.00059391765863
                3p
                   -1 :              -0.00053126375989
                   +0 :               0.00211254072824
                   +1 :               0.00812402071864
                3d
                   -2 :               0.00023224283835
                   -1 :              -0.00038808196023
                   +0 :              -0.00012241475517
                   +1 :               0.00149470660233
                   +2 :              -0.00079873170694
              2 vec=     4.977489      3.115717      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00076841138790
                2s
                   +0 :               0.00784855792605
                3s
                   +0 :              -0.00305613951852
                2p
                   -1 :               0.00758509507418
                   +0 :               0.00733933488272
                   +1 :               0.00948035727864
                3p
                   -1 :              -0.00702800787201
                   +0 :              -0.00416325041332
                   +1 :              -0.00620697498746
                3d
                   -2 :              -0.00066217973677
                   -1 :              -0.00045062941950
                   +0 :              -0.00018270595063
                   +1 :              -0.00043818598635
                   +2 :              -0.00020990505869
              3 vec=     4.977489     -5.868041      4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00047597525812
                2s
                   +0 :              -0.00360450531357
                3s
                   +0 :               0.00062258171420
                2p
                   -1 :              -0.00109369676238
                   +0 :              -0.00279932517563
                   +1 :              -0.00186382772942
                3p
                   -1 :               0.00062908905692
                   +0 :              -0.00032303708182
                   +1 :               0.00047350054297
                3d
                   -2 :               0.00006159185462
                   -1 :               0.00001864367379
                   +0 :              -0.00030598102770
                   +1 :              -0.00029626433114
                   +2 :              -0.00001461294383
              4 vec=    -2.802674      7.607596      4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00019417534381
                2s
                   +0 :               0.00152070873257
                3s
                   +0 :               0.00016153096038
                2p
                   -1 :               0.00178017737284
                   +0 :               0.00179231746622
                   +1 :               0.00174299384184
                3p
                   -1 :              -0.00071004688430
                   +0 :               0.00003758977547
                   +1 :              -0.00188866491434
                3d
                   -2 :              -0.00007782024628
                   -1 :               0.00006231051617
                   +0 :               0.00009819338217
                   +1 :               0.00001865130467
                   +2 :              -0.00004053172272
              5 vec=    -2.802674    -10.359920      4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00023907455602
                2s
                   +0 :               0.00093052419422
                3s
                   +0 :              -0.00089701938774
                2p
                   -1 :              -0.00050816669744
                   +0 :              -0.00032191601854
                   +1 :              -0.00136110372494
                3p
                   -1 :               0.00111648495501
                   +0 :               0.00007647693764
                   +1 :               0.00117138919075
                3d
                   -2 :              -0.00008802443843
                   -1 :              -0.00003607708459
                   +0 :              -0.00000492420979
                   +1 :              -0.00003608022150
                   +2 :               0.00004673750265
              6 vec=   -10.582837      3.115717      4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00001257720862
                2s
                   +0 :              -0.00009476179800
                3s
                   +0 :               0.00011491667117
                2p
                   -1 :              -0.00001215216629
                   +0 :               0.00038593389248
                   +1 :               0.00000019324766
                3p
                   -1 :              -0.00017806879938
                   +0 :              -0.00035781373678
                   +1 :              -0.00020139443407
                3d
                   -2 :              -0.00000411726426
                   -1 :               0.00000160996197
                   +0 :              -0.00004665272769
                   +1 :              -0.00000354088144
                   +2 :               0.00005424587881
              7 vec=   -10.582837     -5.868041      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00002229069510
                2s
                   +0 :              -0.00057684373918
                3s
                   +0 :              -0.00007837598684
                2p
                   -1 :              -0.00009888279961
                   +0 :              -0.00016150227607
                   +1 :              -0.00035903873125
                3p
                   -1 :               0.00019842934172
                   +0 :               0.00009532391615
                   +1 :               0.00051590331765
                3d
                   -2 :              -0.00000894045985
                   -1 :               0.00003757555702
                   +0 :               0.00001627239199
                   +1 :              -0.00001402868398
                   +2 :              -0.00000896550492
              8 vec=    12.757651     -1.376162      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00006609371289
                2s
                   +0 :               0.00020085025052
                3s
                   +0 :              -0.00021677565505
                2p
                   -1 :               0.00049065110464
                   +0 :              -0.00011730346122
                   +1 :               0.00044708512239
                3p
                   -1 :              -0.00048192736115
                   +0 :               0.00006463007631
                   +1 :              -0.00045403755120
                3d
                   -2 :              -0.00005293795875
                   -1 :               0.00000152508137
                   +0 :              -0.00000753493377
                   +1 :               0.00002472766099
                   +2 :              -0.00002289178629
              9 vec=     4.977489     12.099475      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00001948856431
                2s
                   +0 :               0.00082805419142
                3s
                   +0 :               0.00005669229828
                2p
                   -1 :               0.00091110321104
                   +0 :               0.00001208386525
                   +1 :               0.00070504250724
                3p
                   -1 :              -0.00054097499604
                   +0 :               0.00008269465456
                   +1 :              -0.00052569914498
                3d
                   -2 :              -0.00002842288782
                   -1 :              -0.00004025227492
                   +0 :               0.00003307193688
                   +1 :              -0.00000619885245
                   +2 :              -0.00001771716359
             10 vec=    12.757651      7.607596      4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00003252278206
                2s
                   +0 :              -0.00015600717933
                3s
                   +0 :               0.00017619930226
                2p
                   -1 :              -0.00014608929098
                   +0 :              -0.00003690811857
                   +1 :              -0.00011166438420
                3p
                   -1 :               0.00008521912184
                   +0 :               0.00006277132346
                   +1 :               0.00019051184894
                3d
                   -2 :               0.00000454713721
                   -1 :              -0.00000685624215
                   +0 :               0.00000794833170
                   +1 :               0.00001158346533
                   +2 :               0.00001229580179
             11 vec=     4.977489    -14.851799      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00000469433054
                2s
                   +0 :              -0.00009920192337
                3s
                   +0 :              -0.00006074730515
                2p
                   -1 :              -0.00004083495273
                   +0 :              -0.00000751654168
                   +1 :               0.00002225533429
                3p
                   -1 :               0.00022842603429
                   +0 :              -0.00004473253480
                   +1 :              -0.00003626844635
                3d
                   -2 :               0.00001682409201
                   -1 :               0.00001474630230
                   +0 :               0.00001717022813
                   +1 :               0.00000247708763
                   +2 :               0.00001817613166
             12 vec=   -10.582837     12.099475      4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00002847981199
                2s
                   +0 :               0.00029254197179
                3s
                   +0 :              -0.00007180301297
                2p
                   -1 :               0.00002589488060
                   +0 :              -0.00006543994795
                   +1 :              -0.00009723218205
                3p
                   -1 :               0.00004181426533
                   +0 :               0.00006051850829
                   +1 :              -0.00003259367985
                3d
                   -2 :              -0.00000975329759
                   -1 :              -0.00000270113670
                   +0 :              -0.00000213200319
                   +1 :               0.00000274094972
                   +2 :              -0.00001532051480
             13 vec=    12.757651    -10.359920      4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00003058471286
                2s
                   +0 :              -0.00023381815363
                3s
                   +0 :               0.00006906754471
                2p
                   -1 :               0.00011281610064
                   +0 :               0.00007848346414
                   +1 :              -0.00007498661869
                3p
                   -1 :              -0.00005888718521
                   +0 :              -0.00005163474050
                   +1 :               0.00002605216750
                3d
                   -2 :              -0.00000095483491
                   -1 :              -0.00000037893837
                   +0 :              -0.00000000630808
                   +1 :              -0.00000263711913
                   +2 :              -0.00000100322363
             14 vec=    -2.802674     16.591354      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00002936677923
                2s
                   +0 :               0.00029048329830
                3s
                   +0 :              -0.00005543442348
                2p
                   -1 :               0.00018717635003
                   +0 :               0.00003770213744
                   +1 :               0.00007525046644
                3p
                   -1 :              -0.00006167326722
                   +0 :              -0.00003299389214
                   +1 :              -0.00007404680771
                3d
                   -2 :              -0.00000594173316
                   -1 :              -0.00000428614265
                   +0 :              -0.00000182675561
                   +1 :              -0.00000341200950
                   +2 :              -0.00000603659361
WF             site_B          number of pairs
WF( 12)=[O_3_2py]  to site O ( 30)  npairs=  14
              1 vec=     2.593388     -1.013667      4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00033356526689
                2s
                   +0 :              -0.01749125928263
                3s
                   +0 :               0.00034267581543
                2p
                   -1 :              -0.00818796133243
                   +0 :              -0.01255401970396
                   +1 :              -0.00430406662450
                3p
                   -1 :              -0.00089555260798
                   +0 :               0.00342882506743
                   +1 :              -0.00382146213731
                3d
                   -2 :              -0.00056139310929
                   -1 :              -0.00148317561188
                   +0 :               0.00001434555349
                   +1 :              -0.00048404759376
                   +2 :              -0.00104861922116
              2 vec=    -5.186775      3.478212      4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00006686537966
                2s
                   +0 :               0.00009764724851
                3s
                   +0 :               0.00041308046235
                2p
                   -1 :              -0.00152169968426
                   +0 :              -0.00219423660448
                   +1 :              -0.00414498697824
                3p
                   -1 :               0.00153700005125
                   +0 :               0.00299944057001
                   +1 :               0.00212567808961
                3d
                   -2 :               0.00010275874717
                   -1 :              -0.00016419056374
                   +0 :               0.00016454486152
                   +1 :               0.00010255412677
                   +2 :              -0.00006368213479
              3 vec=    -5.186775     -5.505546      4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00078545646152
                2s
                   +0 :              -0.00548566860585
                3s
                   +0 :               0.00151026172521
                2p
                   -1 :               0.00135952085078
                   +0 :              -0.00328636119020
                   +1 :               0.00278596793197
                3p
                   -1 :              -0.00095168368470
                   +0 :               0.00031226475387
                   +1 :              -0.00146104057509
                3d
                   -2 :               0.00018064197930
                   -1 :              -0.00016477761197
                   +0 :              -0.00033760342219
                   +1 :               0.00002789520561
                   +2 :              -0.00000067433278
              4 vec=     2.593388      7.970091      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00075468720208
                2s
                   +0 :               0.00511153374731
                3s
                   +0 :              -0.00142268123589
                2p
                   -1 :               0.00079740708624
                   +0 :               0.00179571188979
                   +1 :               0.00072883845718
                3p
                   -1 :               0.00069240451468
                   +0 :              -0.00048809649967
                   +1 :              -0.00018364360894
                3d
                   -2 :              -0.00001322784983
                   -1 :              -0.00005193974965
                   +0 :               0.00012654057840
                   +1 :              -0.00018523879670
                   +2 :               0.00009046726947
              5 vec=     2.593388     -9.997425      4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00017654692253
                2s
                   +0 :               0.00040756766982
                3s
                   +0 :              -0.00049530209159
                2p
                   -1 :               0.00157415776543
                   +0 :              -0.00012136332285
                   +1 :              -0.00079204123553
                3p
                   -1 :              -0.00078655661795
                   +0 :              -0.00005030386618
                   +1 :               0.00077710341375
                3d
                   -2 :              -0.00009076045438
                   -1 :               0.00002512996133
                   +0 :              -0.00016396987127
                   +1 :               0.00002002064760
                   +2 :              -0.00006634835731
              6 vec=    10.373550      3.478212      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00000700733230
                2s
                   +0 :               0.00004203011666
                3s
                   +0 :               0.00008789478518
                2p
                   -1 :               0.00007734077525
                   +0 :              -0.00014558333845
                   +1 :               0.00022545683489
                3p
                   -1 :              -0.00016190182265
                   +0 :               0.00006916242044
                   +1 :              -0.00001446201746
                3d
                   -2 :               0.00002932909543
                   -1 :              -0.00003120318372
                   +0 :              -0.00000844481251
                   +1 :               0.00006624497885
                   +2 :               0.00010496976150
              7 vec=    10.373550     -5.505546      4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00000060361110
                2s
                   +0 :              -0.00045962345198
                3s
                   +0 :              -0.00020927913043
                2p
                   -1 :              -0.00030084492180
                   +0 :              -0.00045811046594
                   +1 :              -0.00031547732536
                3p
                   -1 :               0.00034143708089
                   +0 :               0.00023804353073
                   +1 :               0.00006756378049
                3d
                   -2 :               0.00001886567537
                   -1 :              -0.00001893687147
                   +0 :               0.00002796960724
                   +1 :               0.00002841037090
                   +2 :               0.00002299275040
              8 vec=   -12.966938     -1.013667      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00004154145654
                2s
                   +0 :              -0.00036184925624
                3s
                   +0 :               0.00006706712130
                2p
                   -1 :              -0.00013645714133
                   +0 :               0.00029569744643
                   +1 :               0.00036124083666
                3p
                   -1 :              -0.00002479375127
                   +0 :              -0.00023539191594
                   +1 :              -0.00013111147544
                3d
                   -2 :               0.00001145074542
                   -1 :              -0.00001884170014
                   +0 :               0.00001506673177
                   +1 :               0.00000913094272
                   +2 :              -0.00001778781214
              9 vec=    -5.186775     12.461970      4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00012460616660
                2s
                   +0 :               0.00122298722838
                3s
                   +0 :              -0.00024797732949
                2p
                   -1 :               0.00034251819037
                   +0 :               0.00023917401929
                   +1 :               0.00007127881543
                3p
                   -1 :              -0.00003582197489
                   +0 :               0.00001116031889
                   +1 :              -0.00008292021666
                3d
                   -2 :              -0.00000034466811
                   -1 :              -0.00000191473631
                   +0 :               0.00001020478493
                   +1 :              -0.00000598779805
                   +2 :               0.00001879250839
             10 vec=   -12.966938      7.970091      4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00001143178974
                2s
                   +0 :               0.00013226696600
                3s
                   +0 :              -0.00001957828315
                2p
                   -1 :              -0.00021346449399
                   +0 :               0.00005224933781
                   +1 :              -0.00015819871125
                3p
                   -1 :               0.00014657787934
                   +0 :               0.00000732290076
                   +1 :               0.00007454580157
                3d
                   -2 :              -0.00000655102431
                   -1 :               0.00000521288972
                   +0 :               0.00000143046769
                   +1 :               0.00000504977837
                   +2 :               0.00000390395979
             11 vec=    -5.186775    -14.489304      4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00009761349665
                2s
                   +0 :              -0.00068410965623
                3s
                   +0 :               0.00028276788520
                2p
                   -1 :               0.00045580327927
                   +0 :              -0.00018459301866
                   +1 :               0.00014931608229
                3p
                   -1 :              -0.00021569732209
                   +0 :               0.00016535279298
                   +1 :              -0.00006033135488
                3d
                   -2 :              -0.00000142849284
                   -1 :              -0.00001474997606
                   +0 :               0.00001931923193
                   +1 :              -0.00000249085157
                   +2 :              -0.00000463244838
             12 vec=    10.373550     12.461970      4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00003563890892
                2s
                   +0 :               0.00032402931442
                3s
                   +0 :              -0.00009068168810
                2p
                   -1 :               0.00033412841423
                   +0 :               0.00005607639009
                   +1 :               0.00023145609416
                3p
                   -1 :              -0.00026172911377
                   +0 :              -0.00004353834673
                   +1 :              -0.00009982027856
                3d
                   -2 :              -0.00001496868289
                   -1 :              -0.00000978509483
                   +0 :               0.00000428772895
                   +1 :               0.00000413941613
                   +2 :               0.00001142905632
             13 vec=   -12.966938     -9.997425      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00003678746324
                2s
                   +0 :              -0.00030574740410
                3s
                   +0 :               0.00009110479042
                2p
                   -1 :               0.00016967867605
                   +0 :              -0.00002377906484
                   +1 :               0.00004283483647
                3p
                   -1 :              -0.00006889178080
                   +0 :               0.00001906960036
                   +1 :               0.00001527105171
                3d
                   -2 :               0.00000532832071
                   -1 :              -0.00000382688645
                   +0 :               0.00000563619750
                   +1 :              -0.00000322699215
                   +2 :              -0.00000661858415
             14 vec=     2.593388     16.953849      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00002569856993
                2s
                   +0 :               0.00023610511196
                3s
                   +0 :              -0.00003814552270
                2p
                   -1 :               0.00005284722215
                   +0 :              -0.00000588313630
                   +1 :              -0.00002400181222
                3p
                   -1 :               0.00004086813119
                   +0 :               0.00001753878101
                   +1 :               0.00001517462479
                3d
                   -2 :              -0.00000837413828
                   -1 :               0.00000316152393
                   +0 :              -0.00000270537280
                   +1 :              -0.00000529418396
                   +2 :               0.00000110508162
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al(  1)  npairs=  14
              1 vec=     0.000000     -2.752623      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.01915652507103
                2p
                   -1 :              -0.02477755405497
                   +0 :               0.01779594381072
                   +1 :               0.00256249822963
                3s
                   +0 :               0.08093439332903
                4s
                   +0 :               0.00493558055837
                3p
                   -1 :              -0.06071964465260
                   +0 :               0.02850020157023
                   +1 :              -0.00513159314049
                4p
                   -1 :              -0.01224938814881
                   +0 :               0.00875638807356
                   +1 :               0.00259035946676
                3d
                   -2 :              -0.00223838009196
                   -1 :              -0.03732123942129
                   +0 :              -0.01016279210592
                   +1 :               0.00117721120326
                   +2 :              -0.04071605384661
              2 vec=     0.000000      6.231135      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00235793145449
                2p
                   -1 :              -0.00177841188024
                   +0 :              -0.00031731638965
                   +1 :               0.00071014179085
                3s
                   +0 :               0.01001891926201
                4s
                   +0 :              -0.00566256417079
                3p
                   -1 :               0.00721632718825
                   +0 :              -0.00226160807083
                   +1 :              -0.00345026100112
                4p
                   -1 :              -0.00326321411411
                   +0 :              -0.00116197597894
                   +1 :               0.00109299894049
                3d
                   -2 :               0.00003978553066
                   -1 :               0.00042692993592
                   +0 :               0.00338453694056
                   +1 :               0.00036430666375
                   +2 :              -0.00134416122157
              3 vec=    -7.780163      1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00156181802526
                2p
                   -1 :               0.00035553765187
                   +0 :               0.00024186969278
                   +1 :              -0.00020924995980
                3s
                   +0 :              -0.00592152933923
                4s
                   +0 :               0.00226251335386
                3p
                   -1 :              -0.00145331313966
                   +0 :              -0.00155049479977
                   +1 :               0.00284255324958
                4p
                   -1 :               0.00034521975647
                   +0 :               0.00039040630405
                   +1 :              -0.00049479038154
                3d
                   -2 :               0.00097172081556
                   -1 :              -0.00062940183991
                   +0 :               0.00007420558250
                   +1 :               0.00001208219113
                   +2 :               0.00033273551230
              4 vec=     7.780163      1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00118563584973
                2p
                   -1 :               0.00007749891646
                   +0 :               0.00049157508575
                   +1 :               0.00049177130130
                3s
                   +0 :              -0.00878882029758
                4s
                   +0 :               0.00336114530282
                3p
                   -1 :              -0.00164122880291
                   +0 :              -0.00555691698961
                   +1 :              -0.00537274786549
                4p
                   -1 :               0.00004377980747
                   +0 :               0.00140973741493
                   +1 :               0.00189000364114
                3d
                   -2 :              -0.00047067091484
                   -1 :              -0.00037203964871
                   +0 :              -0.00024795008284
                   +1 :              -0.00150372494107
                   +2 :              -0.00075582843398
              5 vec=    -7.780163     -7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00043779098888
                2p
                   -1 :              -0.00030129725797
                   +0 :              -0.00040366416181
                   +1 :              -0.00025592096131
                3s
                   +0 :               0.00022433804176
                4s
                   +0 :               0.00008302008883
                3p
                   -1 :               0.00114858834905
                   +0 :               0.00216640897375
                   +1 :              -0.00023140254473
                4p
                   -1 :              -0.00016452952445
                   +0 :              -0.00050993663931
                   +1 :              -0.00014495457141
                3d
                   -2 :              -0.00023153118559
                   -1 :              -0.00030486297633
                   +0 :              -0.00018200842073
                   +1 :               0.00009015146596
                   +2 :               0.00048347871897
              6 vec=     7.780163     -7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00014548845334
                2p
                   -1 :               0.00006885789843
                   +0 :              -0.00000718914159
                   +1 :               0.00004717767858
                3s
                   +0 :              -0.00028609994199
                4s
                   +0 :              -0.00000306127877
                3p
                   -1 :              -0.00004820383647
                   +0 :               0.00043086662298
                   +1 :               0.00064089508819
                4p
                   -1 :               0.00013199551157
                   +0 :              -0.00009377089772
                   +1 :              -0.00018493138847
                3d
                   -2 :               0.00014356315972
                   -1 :               0.00003990374349
                   +0 :              -0.00037280692466
                   +1 :              -0.00017051117402
                   +2 :               0.00029632408173
              7 vec=     0.000000    -11.736381      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00062467241480
                2p
                   -1 :               0.00001089561866
                   +0 :              -0.00021405064302
                   +1 :               0.00019821844225
                3s
                   +0 :               0.00208736139274
                4s
                   +0 :              -0.00010301131008
                3p
                   -1 :               0.00045544933128
                   +0 :               0.00125007192119
                   +1 :              -0.00093552078605
                4p
                   -1 :              -0.00043315769424
                   +0 :              -0.00029262444510
                   +1 :               0.00022170700729
                3d
                   -2 :               0.00048357537018
                   -1 :              -0.00005218121861
                   +0 :              -0.00004876797400
                   +1 :              -0.00001787352274
                   +2 :              -0.00013467510150
              8 vec=    -7.780163     10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00007673391979
                2p
                   -1 :               0.00003641830630
                   +0 :              -0.00006811874666
                   +1 :               0.00002194692660
                3s
                   +0 :               0.00025770813432
                4s
                   +0 :              -0.00008015209347
                3p
                   -1 :              -0.00003821650826
                   +0 :               0.00034534843145
                   +1 :              -0.00034139273294
                4p
                   -1 :              -0.00002335949384
                   +0 :              -0.00001993858634
                   +1 :               0.00010000897464
                3d
                   -2 :              -0.00004004343534
                   -1 :               0.00009106357549
                   +0 :               0.00004934233812
                   +1 :              -0.00006574135867
                   +2 :              -0.00000735808476
              9 vec=     7.780163     10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00017913395592
                2p
                   -1 :               0.00001010874560
                   +0 :               0.00009142573824
                   +1 :               0.00002489907210
                3s
                   +0 :              -0.00038266037326
                4s
                   +0 :               0.00023178476490
                3p
                   -1 :              -0.00002749636652
                   +0 :              -0.00033167406450
                   +1 :              -0.00002923901052
                4p
                   -1 :               0.00001112460861
                   +0 :               0.00008138767923
                   +1 :               0.00008108276018
                3d
                   -2 :               0.00015193124191
                   -1 :              -0.00003361742144
                   +0 :               0.00001400550820
                   +1 :              -0.00012009883812
                   +2 :              -0.00024199290278
             10 vec=     0.000000     15.214893      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00004870488837
                2p
                   -1 :              -0.00004759035364
                   +0 :              -0.00000229629097
                   +1 :               0.00002071297056
                3s
                   +0 :               0.00034976442992
                4s
                   +0 :              -0.00012449012078
                3p
                   -1 :               0.00025832431155
                   +0 :              -0.00001738550149
                   +1 :              -0.00009643481165
                4p
                   -1 :              -0.00008548578874
                   +0 :              -0.00000828591055
                   +1 :               0.00005012358816
                3d
                   -2 :               0.00000188228743
                   -1 :              -0.00000850104120
                   +0 :               0.00002276618846
                   +1 :               0.00000674733216
                   +2 :              -0.00006761343341
             11 vec=   -15.560325     -2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00001545076704
                2p
                   -1 :               0.00007004241308
                   +0 :               0.00005550950610
                   +1 :               0.00001102485179
                3s
                   +0 :              -0.00002790689275
                4s
                   +0 :              -0.00002288713629
                3p
                   -1 :              -0.00052223964557
                   +0 :              -0.00048899958671
                   +1 :              -0.00003587416294
                4p
                   -1 :               0.00008769393614
                   +0 :               0.00005699599365
                   +1 :               0.00001020809140
                3d
                   -2 :               0.00009977262329
                   -1 :               0.00005622203658
                   +0 :               0.00000056531200
                   +1 :               0.00007752986521
                   +2 :              -0.00000240872076
             12 vec=    15.560325     -2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00009733490404
                2p
                   -1 :              -0.00001993178212
                   +0 :              -0.00001597876995
                   +1 :               0.00002086249321
                3s
                   +0 :              -0.00040343571902
                4s
                   +0 :               0.00007048726823
                3p
                   -1 :              -0.00009300167435
                   +0 :              -0.00019435011000
                   +1 :              -0.00005505067868
                4p
                   -1 :              -0.00001172019403
                   +0 :              -0.00000965340744
                   +1 :               0.00000303296643
                3d
                   -2 :              -0.00007833416221
                   -1 :              -0.00004336113751
                   +0 :               0.00002861147352
                   +1 :              -0.00006872621882
                   +2 :               0.00001200826326
             13 vec=   -15.560325      6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00002502443044
                2p
                   -1 :              -0.00001341134709
                   +0 :              -0.00001242054959
                   +1 :               0.00000863348104
                3s
                   +0 :               0.00007091171198
                4s
                   +0 :              -0.00003069041593
                3p
                   -1 :               0.00005298773670
                   +0 :              -0.00001327065266
                   +1 :              -0.00005104009337
                4p
                   -1 :              -0.00001851106681
                   +0 :               0.00000780233705
                   +1 :               0.00001790501558
                3d
                   -2 :              -0.00000628874781
                   -1 :               0.00001089107311
                   +0 :               0.00001093710203
                   +1 :              -0.00001446452018
                   +2 :              -0.00002881136649
             14 vec=    15.560325      6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00004035724490
                2p
                   -1 :               0.00001981088547
                   +0 :               0.00001218646235
                   +1 :               0.00000381882056
                3s
                   +0 :              -0.00018479149990
                4s
                   +0 :               0.00004118460345
                3p
                   -1 :              -0.00013441427754
                   +0 :              -0.00009936066307
                   +1 :               0.00001852741314
                4p
                   -1 :               0.00003810420344
                   +0 :               0.00001067125652
                   +1 :              -0.00002718175169
                3d
                   -2 :              -0.00002228796483
                   -1 :              -0.00000672944353
                   +0 :              -0.00002173597577
                   +1 :               0.00000674616815
                   +2 :               0.00003095625063
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al(  2)  npairs=  13
              1 vec=     0.000000     -2.752623      9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00052496013488
                2p
                   -1 :              -0.00039572806499
                   +0 :              -0.00021750167132
                   +1 :               0.00014577362685
                3s
                   +0 :              -0.00015754405562
                4s
                   +0 :               0.00000058910800
                3p
                   -1 :               0.00133077348104
                   +0 :               0.00183274895374
                   +1 :              -0.00084371243126
                4p
                   -1 :              -0.00014287782978
                   +0 :              -0.00059889551338
                   +1 :               0.00027644184469
                3d
                   -2 :              -0.00030091546464
                   -1 :              -0.00071449314235
                   +0 :               0.00013122110139
                   +1 :               0.00012958164077
                   +2 :              -0.00001459459844
              2 vec=     0.000000      6.231135      9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00095836387213
                2p
                   -1 :              -0.00011434492487
                   +0 :              -0.00026904214489
                   +1 :              -0.00014897778795
                3s
                   +0 :               0.00383127810530
                4s
                   +0 :              -0.00148652257050
                3p
                   -1 :               0.00068278137044
                   +0 :               0.00237847922160
                   +1 :               0.00088188776790
                4p
                   -1 :              -0.00016556595639
                   +0 :              -0.00076009241522
                   +1 :              -0.00033000899378
                3d
                   -2 :              -0.00010490227788
                   -1 :               0.00015256567698
                   +0 :               0.00053026695667
                   +1 :               0.00005078139981
                   +2 :               0.00021707634964
              3 vec=    -7.780163      1.739256      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00004312712873
                2p
                   -1 :              -0.00010440691475
                   +0 :               0.00006950129322
                   +1 :              -0.00024336768323
                3s
                   +0 :               0.00151074091320
                4s
                   +0 :               0.00009206221574
                3p
                   -1 :               0.00099021161402
                   +0 :               0.00014998564376
                   +1 :              -0.00040602543001
                4p
                   -1 :              -0.00023561288328
                   +0 :               0.00008717909260
                   +1 :              -0.00039014555892
                3d
                   -2 :              -0.00019996691282
                   -1 :              -0.00006049706500
                   +0 :              -0.00026806131205
                   +1 :              -0.00013763143336
                   +2 :               0.00021358068316
              4 vec=     7.780163      1.739256      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00025325997620
                2p
                   -1 :               0.00011872349252
                   +0 :               0.00013797063366
                   +1 :               0.00031677065655
                3s
                   +0 :               0.00229859036490
                4s
                   +0 :               0.00012347339838
                3p
                   -1 :               0.00140741420769
                   +0 :               0.00032913934093
                   +1 :               0.00112716180215
                4p
                   -1 :              -0.00005758356906
                   +0 :              -0.00006302160071
                   +1 :               0.00028067972083
                3d
                   -2 :               0.00076225969370
                   -1 :               0.00013872888714
                   +0 :              -0.00041968913624
                   +1 :               0.00012461122255
                   +2 :               0.00027019092486
              5 vec=    -7.780163     -7.244502      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00007804776888
                2p
                   -1 :               0.00009488950322
                   +0 :               0.00001540492251
                   +1 :               0.00011212796794
                3s
                   +0 :               0.00004688256748
                4s
                   +0 :              -0.00007632130876
                3p
                   -1 :              -0.00047305548491
                   +0 :              -0.00035931969517
                   +1 :              -0.00042727828120
                4p
                   -1 :               0.00017404309206
                   +0 :               0.00011473690200
                   +1 :               0.00014090931768
                3d
                   -2 :              -0.00005416154472
                   -1 :               0.00000024429432
                   +0 :              -0.00014097323211
                   +1 :              -0.00006027876846
                   +2 :               0.00004595700907
              6 vec=     7.780163     -7.244502      9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00009424787785
                2p
                   -1 :              -0.00017737905033
                   +0 :               0.00000936789599
                   +1 :              -0.00005238540529
                3s
                   +0 :              -0.00062677030443
                4s
                   +0 :               0.00020793438570
                3p
                   -1 :               0.00088410862985
                   +0 :              -0.00030852035925
                   +1 :               0.00014277122470
                4p
                   -1 :              -0.00019565644589
                   +0 :               0.00008201496491
                   +1 :               0.00000049294316
                3d
                   -2 :               0.00010965353687
                   -1 :               0.00009756805359
                   +0 :              -0.00009682184873
                   +1 :               0.00003474624392
                   +2 :               0.00012151651415
              7 vec=     0.000000     -2.752623    -14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00008693266049
                2p
                   -1 :               0.00004129327616
                   +0 :               0.00002878137086
                   +1 :              -0.00010219741906
                3s
                   +0 :               0.00007416354994
                4s
                   +0 :              -0.00000165434183
                3p
                   -1 :               0.00020007435960
                   +0 :               0.00001746333054
                   +1 :               0.00057269756465
                4p
                   -1 :               0.00001484187206
                   +0 :              -0.00003490476639
                   +1 :              -0.00010925474912
                3d
                   -2 :               0.00000319442285
                   -1 :              -0.00005404259275
                   +0 :              -0.00007527352402
                   +1 :              -0.00006818383572
                   +2 :              -0.00011912735793
              8 vec=     0.000000    -11.736381      9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00019614386510
                2p
                   -1 :              -0.00012231022848
                   +0 :               0.00015073305488
                   +1 :               0.00000567718388
                3s
                   +0 :              -0.00073086348626
                4s
                   +0 :               0.00021719377013
                3p
                   -1 :               0.00062681024751
                   +0 :              -0.00064840218470
                   +1 :              -0.00015268119559
                4p
                   -1 :              -0.00015023334086
                   +0 :               0.00021736453318
                   +1 :               0.00008248910771
                3d
                   -2 :              -0.00001157649459
                   -1 :               0.00020961747711
                   +0 :              -0.00000635593854
                   +1 :               0.00000414948292
                   +2 :               0.00010777173420
              9 vec=     0.000000      6.231135    -14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00008310869097
                2p
                   -1 :              -0.00000214344585
                   +0 :              -0.00000810888687
                   +1 :              -0.00003474459473
                3s
                   +0 :              -0.00052885424922
                4s
                   +0 :               0.00006935719805
                3p
                   -1 :               0.00013472004681
                   +0 :              -0.00003686216117
                   +1 :               0.00009751787709
                4p
                   -1 :              -0.00003439968196
                   +0 :               0.00004560741684
                   +1 :              -0.00001088100571
                3d
                   -2 :              -0.00002092110677
                   -1 :              -0.00003118671633
                   +0 :              -0.00001558768856
                   +1 :              -0.00001795433690
                   +2 :               0.00001297605754
             10 vec=    -7.780163     10.723014      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00008098756940
                2p
                   -1 :              -0.00005829574466
                   +0 :               0.00000029264822
                   +1 :               0.00001711236190
                3s
                   +0 :               0.00046205456263
                4s
                   +0 :              -0.00015072601863
                3p
                   -1 :               0.00032304366173
                   +0 :               0.00001665391752
                   +1 :              -0.00010079576575
                4p
                   -1 :              -0.00011623320427
                   +0 :              -0.00000365624864
                   +1 :               0.00003169933450
                3d
                   -2 :               0.00001199121331
                   -1 :              -0.00000895247591
                   +0 :              -0.00001550628543
                   +1 :               0.00003946664247
                   +2 :               0.00002467743643
             11 vec=     7.780163     10.723014      9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00005891466871
                2p
                   -1 :              -0.00004304625780
                   +0 :               0.00000309507982
                   +1 :              -0.00000523776758
                3s
                   +0 :               0.00034912888845
                4s
                   +0 :              -0.00008380688147
                3p
                   -1 :               0.00013984936391
                   +0 :               0.00003980110323
                   +1 :               0.00001707231816
                4p
                   -1 :              -0.00006441682830
                   +0 :               0.00001247443775
                   +1 :               0.00000649373557
                3d
                   -2 :               0.00000055258330
                   -1 :               0.00001267679140
                   +0 :               0.00003082254490
                   +1 :               0.00004265241013
                   +2 :               0.00001594535531
             12 vec=    -7.780163      1.739256    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00008929821247
                2p
                   -1 :               0.00000879734238
                   +0 :               0.00000085757547
                   +1 :              -0.00000473226933
                3s
                   +0 :              -0.00067989419648
                4s
                   +0 :               0.00008867587458
                3p
                   -1 :              -0.00007175243521
                   +0 :               0.00001660690205
                   +1 :               0.00005220828978
                4p
                   -1 :              -0.00001059298069
                   +0 :               0.00000556257991
                   +1 :               0.00001109510902
                3d
                   -2 :              -0.00009139241931
                   -1 :              -0.00002789814700
                   +0 :               0.00012033141125
                   +1 :               0.00002360081181
                   +2 :               0.00006976742184
             13 vec=     7.780163      1.739256    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00016678313976
                2p
                   -1 :               0.00004526425016
                   +0 :              -0.00001151797836
                   +1 :               0.00000188221541
                3s
                   +0 :              -0.00100258283453
                4s
                   +0 :               0.00019744773324
                3p
                   -1 :              -0.00007402263556
                   +0 :               0.00008054791848
                   +1 :              -0.00020090756213
                4p
                   -1 :               0.00003864403328
                   +0 :               0.00000629865662
                   +1 :               0.00001691310214
                3d
                   -2 :               0.00011255192821
                   -1 :              -0.00001698136952
                   +0 :               0.00012598229730
                   +1 :               0.00002237728901
                   +2 :              -0.00006264294787
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Cr(  3)  npairs=  14
              1 vec=     0.000000     -2.752623     -2.510723   |vec|=    3.725676
                3s
                   +0 :               0.04046374992050
                3p
                   -1 :              -0.06034893266591
                   +0 :              -0.04235312087454
                   +1 :              -0.00314637564909
                4s
                   +0 :               0.04153976020135
                5s
                   +0 :               0.00359480397572
                3d
                   -2 :               0.00279345779907
                   -1 :               0.04091307252093
                   +0 :              -0.01857533291063
                   +1 :               0.00017094313369
                   +2 :              -0.03964741728846
                4d
                   -2 :              -0.00114842920846
                   -1 :               0.00543601488051
                   +0 :              -0.00269209653752
                   +1 :               0.00091279643040
                   +2 :              -0.00880744607886
                4p
                   -1 :              -0.02089122557707
                   +0 :              -0.00760829062827
                   +1 :               0.00284910523029
              2 vec=     0.000000      6.231135     -2.510723   |vec|=    6.717944
                3s
                   +0 :              -0.00159936151191
                3p
                   -1 :              -0.00177296748894
                   +0 :               0.00072574546242
                   +1 :              -0.00065294989438
                4s
                   +0 :               0.00313918423790
                5s
                   +0 :              -0.00152842610803
                3d
                   -2 :               0.00043335448212
                   -1 :               0.00140843624937
                   +0 :               0.00192986208885
                   +1 :               0.00029744013800
                   +2 :              -0.00089673271902
                4d
                   -2 :              -0.00037074917475
                   -1 :              -0.00155120782464
                   +0 :               0.00081901592209
                   +1 :              -0.00018411940039
                   +2 :              -0.00104726911198
                4p
                   -1 :               0.00100153496909
                   +0 :              -0.00037386957623
                   +1 :               0.00079059481945
              3 vec=    -7.780163      1.739256     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00014878217243
                3p
                   -1 :              -0.00024225395403
                   +0 :               0.00023621835949
                   +1 :               0.00064755295915
                4s
                   +0 :              -0.00187587963039
                5s
                   +0 :               0.00072888921240
                3d
                   -2 :               0.00056708193385
                   -1 :               0.00109118959740
                   +0 :              -0.00021214010992
                   +1 :               0.00012876868423
                   +2 :               0.00088483910227
                4d
                   -2 :               0.00071096215490
                   -1 :               0.00017864299811
                   +0 :              -0.00000891382256
                   +1 :              -0.00170854858397
                   +2 :              -0.00069670672571
                4p
                   -1 :              -0.00057380873173
                   +0 :               0.00145417505322
                   +1 :              -0.00044713987772
              4 vec=     7.780163      1.739256     -2.510723   |vec|=    8.358210
                3s
                   +0 :               0.00040620742896
                3p
                   -1 :               0.00056751573089
                   +0 :              -0.00016206927966
                   +1 :              -0.00025636582127
                4s
                   +0 :              -0.00097791170291
                5s
                   +0 :               0.00040572970513
                3d
                   -2 :              -0.00069040248342
                   -1 :               0.00035887623748
                   +0 :               0.00060005083687
                   +1 :               0.00069951977082
                   +2 :              -0.00097996779957
                4d
                   -2 :              -0.00065015876054
                   -1 :               0.00052548426554
                   +0 :              -0.00037873487920
                   +1 :               0.00045246469222
                   +2 :               0.00084441746344
                4p
                   -1 :              -0.00098175407328
                   +0 :               0.00079075838971
                   +1 :               0.00015144892415
              5 vec=    -7.780163     -7.244502     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00005447171623
                3p
                   -1 :               0.00010761810643
                   +0 :              -0.00012454816831
                   +1 :              -0.00004728531825
                4s
                   +0 :               0.00052879908790
                5s
                   +0 :              -0.00016214496365
                3d
                   -2 :              -0.00034231960535
                   -1 :               0.00008194094865
                   +0 :              -0.00009070732694
                   +1 :              -0.00040045950385
                   +2 :               0.00033731050082
                4d
                   -2 :               0.00032671299431
                   -1 :              -0.00003733197960
                   +0 :              -0.00006141428419
                   +1 :              -0.00011165935392
                   +2 :               0.00025948429404
                4p
                   -1 :              -0.00030200599766
                   +0 :               0.00018475339882
                   +1 :              -0.00042571239748
              6 vec=     7.780163     -7.244502     -2.510723   |vec|=   10.923254
                3s
                   +0 :               0.00065253412423
                3p
                   -1 :              -0.00048569184047
                   +0 :               0.00033521617879
                   +1 :               0.00035942532547
                4s
                   +0 :              -0.00017257896400
                5s
                   +0 :              -0.00003133221342
                3d
                   -2 :              -0.00043723832697
                   -1 :              -0.00068843511188
                   +0 :              -0.00024494428454
                   +1 :               0.00070361598337
                   +2 :               0.00053770472557
                4d
                   -2 :               0.00023242262516
                   -1 :               0.00043093795711
                   +0 :              -0.00000822836874
                   +1 :              -0.00016618444617
                   +2 :               0.00007139176915
                4p
                   -1 :               0.00050294126800
                   +0 :              -0.00053945601785
                   +1 :               0.00003849026378
              7 vec=     0.000000    -11.736381     -2.510723   |vec|=   12.001932
                3s
                   +0 :               0.00007653836433
                3p
                   -1 :               0.00017618310471
                   +0 :               0.00001121053107
                   +1 :              -0.00033804740898
                4s
                   +0 :              -0.00141352588386
                5s
                   +0 :               0.00034049502378
                3d
                   -2 :               0.00036510344568
                   -1 :               0.00012479930241
                   +0 :               0.00020791953855
                   +1 :              -0.00014399619175
                   +2 :              -0.00001123470595
                4d
                   -2 :              -0.00051569865449
                   -1 :               0.00024703890312
                   +0 :               0.00006095407028
                   +1 :               0.00002721337951
                   +2 :               0.00033879115943
                4p
                   -1 :               0.00028113115765
                   +0 :              -0.00059016054813
                   +1 :               0.00039004716452
              8 vec=    -7.780163     10.723014     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00007526207235
                3p
                   -1 :              -0.00003872647966
                   +0 :              -0.00000627032596
                   +1 :               0.00008555162355
                4s
                   +0 :              -0.00014233808720
                5s
                   +0 :               0.00000673286065
                3d
                   -2 :               0.00035936137148
                   -1 :               0.00026632010021
                   +0 :              -0.00007182988631
                   +1 :              -0.00016664123850
                   +2 :              -0.00015360498942
                4d
                   -2 :              -0.00009289087681
                   -1 :               0.00008697890399
                   +0 :              -0.00003948401953
                   +1 :              -0.00012408292579
                   +2 :              -0.00013449950956
                4p
                   -1 :               0.00020321003671
                   +0 :               0.00028046527869
                   +1 :              -0.00000243568201
              9 vec=     7.780163     10.723014     -2.510723   |vec|=   13.483979
                3s
                   +0 :               0.00022132842355
                3p
                   -1 :               0.00012592706337
                   +0 :               0.00014066806451
                   +1 :               0.00006519889098
                4s
                   +0 :              -0.00028583178127
                5s
                   +0 :              -0.00001128038236
                3d
                   -2 :              -0.00022249279119
                   -1 :               0.00054616780319
                   +0 :              -0.00005538296406
                   +1 :               0.00035384805945
                   +2 :              -0.00031874748535
                4d
                   -2 :               0.00000712899224
                   -1 :              -0.00009014017873
                   +0 :              -0.00004207020666
                   +1 :              -0.00002481209803
                   +2 :              -0.00005512851400
                4p
                   -1 :               0.00000407270373
                   +0 :               0.00000945405211
                   +1 :              -0.00020056572037
             10 vec=     0.000000     15.214893     -2.510723   |vec|=   15.420658
                3s
                   +0 :               0.00007656522832
                3p
                   -1 :               0.00000869459127
                   +0 :              -0.00001346195918
                   +1 :              -0.00004999527668
                4s
                   +0 :              -0.00013665871094
                5s
                   +0 :               0.00000461919629
                3d
                   -2 :              -0.00004912355166
                   -1 :               0.00011187375643
                   +0 :               0.00001417581413
                   +1 :              -0.00004230119301
                   +2 :              -0.00009231013147
                4d
                   -2 :               0.00004048549961
                   -1 :               0.00004579252255
                   +0 :               0.00002177961052
                   +1 :               0.00003030401526
                   +2 :              -0.00003547039156
                4p
                   -1 :               0.00001331674846
                   +0 :               0.00012099143824
                   +1 :               0.00010517889163
             11 vec=   -15.560325     -2.752623     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00002204601364
                3p
                   -1 :              -0.00000212758676
                   +0 :               0.00001789534290
                   +1 :               0.00000065777797
                4s
                   +0 :               0.00025106279810
                5s
                   +0 :              -0.00002952566339
                3d
                   -2 :               0.00014450478012
                   -1 :              -0.00016046127112
                   +0 :               0.00008809390399
                   +1 :              -0.00012554056440
                   +2 :               0.00000983563099
                4d
                   -2 :               0.00002606421918
                   -1 :              -0.00000704820469
                   +0 :              -0.00001367071034
                   +1 :              -0.00004939508917
                   +2 :               0.00002812802071
                4p
                   -1 :              -0.00005780182916
                   +0 :              -0.00000067810486
                   +1 :              -0.00009112245812
             12 vec=    15.560325     -2.752623     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00004585554960
                3p
                   -1 :               0.00003218263005
                   +0 :              -0.00006096489879
                   +1 :               0.00000104752727
                4s
                   +0 :               0.00043402008499
                5s
                   +0 :              -0.00006110199593
                3d
                   -2 :              -0.00013353698600
                   -1 :              -0.00014634359252
                   +0 :               0.00002609479583
                   +1 :               0.00007953303175
                   +2 :              -0.00006498846082
                4d
                   -2 :              -0.00005271748817
                   -1 :              -0.00001812724200
                   +0 :               0.00001064431554
                   +1 :               0.00005842979991
                   +2 :               0.00005619655232
                4p
                   -1 :              -0.00016859027144
                   +0 :               0.00014561789856
                   +1 :               0.00011537017455
             13 vec=   -15.560325      6.231135     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00002029619454
                3p
                   -1 :               0.00001657754105
                   +0 :               0.00000327193686
                   +1 :              -0.00003441610092
                4s
                   +0 :               0.00007108527924
                5s
                   +0 :              -0.00001473022507
                3d
                   -2 :               0.00009929236667
                   -1 :               0.00002210570472
                   +0 :              -0.00002292197885
                   +1 :              -0.00012154097883
                   +2 :              -0.00000635910472
                4d
                   -2 :              -0.00002124562394
                   -1 :               0.00002228299779
                   +0 :               0.00001110127507
                   +1 :              -0.00000786036768
                   +2 :              -0.00000633968517
                4p
                   -1 :              -0.00000225859286
                   +0 :               0.00006678772148
                   +1 :               0.00003251161724
             14 vec=    15.560325      6.231135     -2.510723   |vec|=   16.948584
                3s
                   +0 :               0.00000557738466
                3p
                   -1 :              -0.00001192523765
                   +0 :               0.00004406464286
                   +1 :               0.00001426931356
                4s
                   +0 :               0.00008531215460
                5s
                   +0 :               0.00000143795570
                3d
                   -2 :              -0.00009174095332
                   -1 :               0.00008280153818
                   +0 :              -0.00003033989021
                   +1 :               0.00009097516662
                   +2 :              -0.00005292587517
                4d
                   -2 :              -0.00000769968441
                   -1 :              -0.00000042277446
                   +0 :               0.00003034599240
                   +1 :               0.00001240888349
                   +2 :              -0.00001233178393
                4p
                   -1 :               0.00003422935971
                   +0 :              -0.00001581016186
                   +1 :              -0.00001307522586
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al(  4)  npairs=  13
              1 vec=     0.000000     -2.752623     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00032579685950
                2p
                   -1 :               0.00041287525957
                   +0 :              -0.00028291481364
                   +1 :               0.00016440502479
                3s
                   +0 :              -0.00031208937369
                4s
                   +0 :               0.00031017795251
                3p
                   -1 :              -0.00135651931196
                   +0 :               0.00268094014449
                   +1 :              -0.00040831484100
                4p
                   -1 :               0.00017473163401
                   +0 :              -0.00090682876392
                   +1 :               0.00005340136756
                3d
                   -2 :              -0.00000211400619
                   -1 :              -0.00057664209758
                   +0 :              -0.00054564927903
                   +1 :              -0.00002060504248
                   +2 :               0.00009925913050
              2 vec=     0.000000      6.231135     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00078474918269
                2p
                   -1 :               0.00008624810138
                   +0 :              -0.00017123430048
                   +1 :              -0.00004384995315
                3s
                   +0 :              -0.00302983484579
                4s
                   +0 :               0.00110009540222
                3p
                   -1 :              -0.00045232524017
                   +0 :               0.00127849998309
                   +1 :               0.00034400579060
                4p
                   -1 :               0.00009997733065
                   +0 :              -0.00044017697981
                   +1 :              -0.00020352480574
                3d
                   -2 :              -0.00002702578144
                   -1 :               0.00003696018432
                   +0 :              -0.00013275401269
                   +1 :               0.00005235781455
                   +2 :              -0.00030189206109
              3 vec=    -7.780163      1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00005409093046
                2p
                   -1 :              -0.00010641457405
                   +0 :               0.00011963588653
                   +1 :               0.00025154161048
                3s
                   +0 :              -0.00297203503837
                4s
                   +0 :               0.00012510063674
                3p
                   -1 :              -0.00132778699707
                   +0 :              -0.00003486343032
                   +1 :               0.00088711643814
                4p
                   -1 :              -0.00002631095047
                   +0 :              -0.00004829639424
                   +1 :               0.00014920940816
                3d
                   -2 :               0.00069669243653
                   -1 :               0.00005562995290
                   +0 :               0.00047510492307
                   +1 :               0.00017581916910
                   +2 :               0.00003953495704
              4 vec=     7.780163      1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00023722779205
                2p
                   -1 :               0.00007459240072
                   +0 :               0.00004765629378
                   +1 :              -0.00003727937575
                3s
                   +0 :              -0.00325350248666
                4s
                   +0 :               0.00005707238036
                3p
                   -1 :              -0.00108763232417
                   +0 :              -0.00008168937742
                   +1 :              -0.00146491354269
                4p
                   -1 :               0.00010317839668
                   +0 :               0.00009013865884
                   +1 :              -0.00020479454045
                3d
                   -2 :              -0.00043007084385
                   -1 :              -0.00012015297883
                   +0 :               0.00042244375692
                   +1 :               0.00000095535685
                   +2 :              -0.00032539591964
              5 vec=    -7.780163     -7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00000000679858
                2p
                   -1 :               0.00008198113129
                   +0 :              -0.00001932986726
                   +1 :              -0.00005899095506
                3s
                   +0 :               0.00044968651748
                4s
                   +0 :              -0.00011208492240
                3p
                   -1 :              -0.00028612770788
                   +0 :               0.00014275025733
                   +1 :               0.00007432602795
                4p
                   -1 :               0.00011108167063
                   +0 :              -0.00000146189787
                   +1 :               0.00001532259314
                3d
                   -2 :              -0.00000279756811
                   -1 :              -0.00004751318021
                   +0 :              -0.00008403702362
                   +1 :              -0.00007035159998
                   +2 :              -0.00012459901181
              6 vec=     7.780163     -7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00013147176825
                2p
                   -1 :              -0.00003083589212
                   +0 :              -0.00003191899533
                   +1 :               0.00017720772088
                3s
                   +0 :              -0.00032551441651
                4s
                   +0 :               0.00013771057809
                3p
                   -1 :               0.00037134781762
                   +0 :               0.00005419901853
                   +1 :              -0.00074205899208
                4p
                   -1 :              -0.00007088915818
                   +0 :              -0.00001392487355
                   +1 :               0.00018982602237
                3d
                   -2 :               0.00002089956251
                   -1 :               0.00000473324326
                   +0 :               0.00006034056233
                   +1 :               0.00012021857913
                   +2 :              -0.00009366203180
              7 vec=     0.000000     -2.752623     14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00003131742879
                2p
                   -1 :              -0.00005004706819
                   +0 :               0.00001882025604
                   +1 :              -0.00013380140106
                3s
                   +0 :               0.00021727793908
                4s
                   +0 :              -0.00006163358789
                3p
                   -1 :               0.00037112966157
                   +0 :               0.00013887978691
                   +1 :               0.00069943695201
                4p
                   -1 :              -0.00003609914923
                   +0 :              -0.00006593901544
                   +1 :              -0.00018449697814
                3d
                   -2 :               0.00002265228117
                   -1 :               0.00010515847793
                   +0 :               0.00004163727142
                   +1 :               0.00006597690647
                   +2 :              -0.00001180805401
              8 vec=     0.000000    -11.736381     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00044672380857
                2p
                   -1 :               0.00011696622212
                   +0 :               0.00010171513926
                   +1 :               0.00009253667141
                3s
                   +0 :               0.00430719585340
                4s
                   +0 :              -0.00042262257867
                3p
                   -1 :              -0.00207380891952
                   +0 :              -0.00040492075270
                   +1 :              -0.00085114937892
                4p
                   -1 :               0.00008932737802
                   +0 :               0.00029322895680
                   +1 :               0.00015506526206
                3d
                   -2 :               0.00033687899324
                   -1 :              -0.00011162447317
                   +0 :              -0.00041677979430
                   +1 :               0.00011402054583
                   +2 :              -0.00048301655475
              9 vec=     0.000000      6.231135     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00005261409918
                2p
                   -1 :               0.00001162557976
                   +0 :               0.00000097040483
                   +1 :              -0.00002375146787
                3s
                   +0 :               0.00036631249975
                4s
                   +0 :              -0.00003964883624
                3p
                   -1 :              -0.00029933003229
                   +0 :              -0.00007496479876
                   +1 :               0.00002224164694
                4p
                   -1 :               0.00005874048979
                   +0 :               0.00005740293244
                   +1 :               0.00001080800832
                3d
                   -2 :              -0.00001330295294
                   -1 :              -0.00007987633006
                   +0 :               0.00001250197658
                   +1 :               0.00002244834977
                   +2 :              -0.00001075670468
             10 vec=    -7.780163     10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00008083643455
                2p
                   -1 :              -0.00000200059742
                   +0 :               0.00000180197994
                   +1 :              -0.00001657489419
                3s
                   +0 :              -0.00052651402933
                4s
                   +0 :               0.00009259398188
                3p
                   -1 :               0.00001904733954
                   +0 :               0.00006447479164
                   +1 :               0.00014401963964
                4p
                   -1 :               0.00000008248173
                   +0 :              -0.00000830477578
                   +1 :              -0.00001553966784
                3d
                   -2 :              -0.00000517586325
                   -1 :              -0.00001507754376
                   +0 :              -0.00002195171832
                   +1 :              -0.00005616538758
                   +2 :              -0.00004616270601
             11 vec=     7.780163     10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00011131985271
                2p
                   -1 :               0.00005352279051
                   +0 :               0.00000103311851
                   +1 :               0.00004221498377
                3s
                   +0 :              -0.00059319565461
                4s
                   +0 :               0.00014057332894
                3p
                   -1 :              -0.00031799335625
                   +0 :              -0.00001243300083
                   +1 :              -0.00018105079395
                4p
                   -1 :               0.00009337095509
                   +0 :               0.00000047673117
                   +1 :               0.00003410096143
                3d
                   -2 :              -0.00000555952119
                   -1 :              -0.00001415756671
                   +0 :               0.00000451549504
                   +1 :              -0.00002307239662
                   +2 :              -0.00002659353345
             12 vec=    -7.780163      1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00015169126140
                2p
                   -1 :              -0.00004375864730
                   +0 :              -0.00003079400713
                   +1 :               0.00001418222592
                3s
                   +0 :               0.00081415102300
                4s
                   +0 :              -0.00019432311286
                3p
                   -1 :              -0.00006142714250
                   +0 :               0.00023672407322
                   +1 :              -0.00040179676652
                4p
                   -1 :              -0.00004010116565
                   +0 :              -0.00003893826767
                   +1 :               0.00006224254371
                3d
                   -2 :               0.00010926554013
                   -1 :              -0.00004002790803
                   +0 :              -0.00006149762304
                   +1 :              -0.00006757452887
                   +2 :               0.00011822486116
             13 vec=     7.780163      1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00002513581320
                2p
                   -1 :              -0.00000299637313
                   +0 :               0.00001243132696
                   +1 :               0.00002071826966
                3s
                   +0 :               0.00047395484682
                4s
                   +0 :              -0.00006381102264
                3p
                   -1 :              -0.00017753434297
                   +0 :               0.00005687984744
                   +1 :               0.00012774991232
                4p
                   -1 :               0.00003287699312
                   +0 :              -0.00001059609070
                   +1 :               0.00002612637135
                3d
                   -2 :              -0.00010246361163
                   -1 :              -0.00006152829607
                   +0 :              -0.00007329302695
                   +1 :               0.00001120263116
                   +2 :              -0.00002909341104
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al(  5)  npairs=  15
              1 vec=    -2.593388      1.739256     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00076875976841
                2p
                   -1 :               0.00034508080330
                   +0 :               0.00043192841598
                   +1 :              -0.00032890114003
                3s
                   +0 :              -0.00032083677187
                4s
                   +0 :               0.00015330990036
                3p
                   -1 :              -0.00176067127596
                   +0 :              -0.00060326523614
                   +1 :               0.00292964166390
                4p
                   -1 :               0.00020266508516
                   +0 :               0.00014809359068
                   +1 :              -0.00060069021979
                3d
                   -2 :               0.00007003678205
                   -1 :              -0.00020826434685
                   +0 :               0.00016373430275
                   +1 :               0.00039938306619
                   +2 :              -0.00019727308850
              2 vec=     5.186775     -2.752623     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00002615539879
                2p
                   -1 :               0.00010053517790
                   +0 :               0.00006087329640
                   +1 :               0.00005334168827
                3s
                   +0 :               0.00033996375676
                4s
                   +0 :              -0.00010035635450
                3p
                   -1 :              -0.00104735373317
                   +0 :              -0.00048301426525
                   +1 :              -0.00014304053423
                4p
                   -1 :               0.00002499421223
                   +0 :              -0.00001721975447
                   +1 :               0.00000282770183
                3d
                   -2 :               0.00032881590097
                   -1 :              -0.00009231168648
                   +0 :              -0.00046415519052
                   +1 :              -0.00032582587298
                   +2 :              -0.00056008572171
              3 vec=    -2.593388     -7.244502     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00019994044289
                2p
                   -1 :              -0.00012092003224
                   +0 :              -0.00000346686937
                   +1 :               0.00010362189673
                3s
                   +0 :               0.00216720504180
                4s
                   +0 :              -0.00022288039514
                3p
                   -1 :              -0.00093585578105
                   +0 :               0.00120356474833
                   +1 :              -0.00074697491964
                4p
                   -1 :              -0.00002968799247
                   +0 :              -0.00006984586176
                   +1 :               0.00020535407725
                3d
                   -2 :               0.00003424054421
                   -1 :              -0.00034460392717
                   +0 :               0.00022521246648
                   +1 :              -0.00014658555498
                   +2 :              -0.00018125510827
              4 vec=     5.186775      6.231135     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00044580719808
                2p
                   -1 :              -0.00006431882585
                   +0 :              -0.00001667230345
                   +1 :              -0.00001338755821
                3s
                   +0 :               0.00444248568678
                4s
                   +0 :              -0.00076102724224
                3p
                   -1 :               0.00150408979141
                   +0 :               0.00176240043609
                   +1 :               0.00179120569743
                4p
                   -1 :              -0.00026442327476
                   +0 :              -0.00015340663342
                   +1 :              -0.00008044371037
                3d
                   -2 :               0.00051767340195
                   -1 :               0.00033543184561
                   +0 :               0.00030307894308
                   +1 :               0.00061006839414
                   +2 :               0.00017237292631
              5 vec=    -2.593388      1.739256    -13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00002825493485
                2p
                   -1 :               0.00004206354975
                   +0 :              -0.00001507668735
                   +1 :               0.00014228659736
                3s
                   +0 :              -0.00030031336972
                4s
                   +0 :               0.00018198218759
                3p
                   -1 :               0.00001070912000
                   +0 :               0.00005202000425
                   +1 :              -0.00076190881973
                4p
                   -1 :               0.00003314655336
                   +0 :              -0.00006072087097
                   +1 :               0.00015617256047
                3d
                   -2 :               0.00000050747063
                   -1 :               0.00004425805831
                   +0 :               0.00001176385579
                   +1 :               0.00013698657904
                   +2 :               0.00003410820505
              6 vec=     5.186775     -2.752623    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00020456372431
                2p
                   -1 :              -0.00012268498875
                   +0 :              -0.00006772014247
                   +1 :               0.00014294214138
                3s
                   +0 :              -0.00084855854136
                4s
                   +0 :               0.00018738634484
                3p
                   -1 :               0.00068561457152
                   +0 :               0.00041455562395
                   +1 :              -0.00046550452143
                4p
                   -1 :              -0.00014859895924
                   +0 :              -0.00012227209986
                   +1 :               0.00002855427647
                3d
                   -2 :               0.00008679933573
                   -1 :              -0.00003739688738
                   +0 :               0.00001754169895
                   +1 :               0.00007024148207
                   +2 :              -0.00006915246387
              7 vec=   -10.373550     -2.752623     10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00010323924032
                2p
                   -1 :               0.00002098958329
                   +0 :               0.00005144012235
                   +1 :              -0.00006351647899
                3s
                   +0 :              -0.00079348465386
                4s
                   +0 :               0.00018180741024
                3p
                   -1 :              -0.00008785953749
                   +0 :              -0.00051878398785
                   +1 :               0.00056991560898
                4p
                   -1 :              -0.00003207108198
                   +0 :               0.00009573523976
                   +1 :              -0.00012386906168
                3d
                   -2 :              -0.00001300007610
                   -1 :               0.00001398234538
                   +0 :               0.00002071039493
                   +1 :               0.00013095127618
                   +2 :              -0.00008685886773
              8 vec=    -2.593388     10.723014     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00016202599959
                2p
                   -1 :              -0.00001363366671
                   +0 :               0.00000410623596
                   +1 :               0.00004843234519
                3s
                   +0 :               0.00068774680461
                4s
                   +0 :              -0.00004548082749
                3p
                   -1 :               0.00000293006977
                   +0 :              -0.00007357465960
                   +1 :              -0.00033099288685
                4p
                   -1 :               0.00005065171408
                   +0 :               0.00008845003103
                   +1 :               0.00005740183947
                3d
                   -2 :              -0.00002863990956
                   -1 :              -0.00001093697565
                   +0 :               0.00001041657225
                   +1 :              -0.00003067103508
                   +2 :               0.00007702758481
              9 vec=    -2.593388     -7.244502    -13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00011576807185
                2p
                   -1 :               0.00000426848308
                   +0 :               0.00003548008706
                   +1 :               0.00006656644214
                3s
                   +0 :               0.00068628657322
                4s
                   +0 :              -0.00016768592315
                3p
                   -1 :               0.00025809943190
                   +0 :              -0.00028780576617
                   +1 :              -0.00017723481696
                4p
                   -1 :              -0.00003438518299
                   +0 :               0.00008222817301
                   +1 :               0.00005068487779
                3d
                   -2 :               0.00000978858654
                   -1 :              -0.00002738740652
                   +0 :              -0.00000233563270
                   +1 :               0.00006277093212
                   +2 :              -0.00003153276037
             10 vec=     5.186775      6.231135    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00000864997042
                2p
                   -1 :              -0.00004080659178
                   +0 :               0.00000311912691
                   +1 :               0.00002815366780
                3s
                   +0 :              -0.00091176093746
                4s
                   +0 :               0.00008584608540
                3p
                   -1 :              -0.00034714013417
                   +0 :               0.00025902526207
                   +1 :              -0.00008704384094
                4p
                   -1 :              -0.00004182755272
                   +0 :              -0.00011200616615
                   +1 :               0.00003860716312
                3d
                   -2 :              -0.00003536255287
                   -1 :              -0.00001374353087
                   +0 :               0.00001094657520
                   +1 :               0.00003204734399
                   +2 :               0.00011415212964
             11 vec=   -10.373550      6.231135     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00022082021268
                2p
                   -1 :               0.00005704303524
                   +0 :               0.00008099850393
                   +1 :              -0.00007083287461
                3s
                   +0 :              -0.00064100449868
                4s
                   +0 :               0.00032493087677
                3p
                   -1 :              -0.00024155467745
                   +0 :              -0.00031530695851
                   +1 :               0.00028545666863
                4p
                   -1 :               0.00005829907460
                   +0 :               0.00014592236071
                   +1 :              -0.00009189516689
                3d
                   -2 :               0.00003696548640
                   -1 :              -0.00002926678913
                   +0 :              -0.00001241230663
                   +1 :               0.00003635779389
                   +2 :              -0.00000133822425
             12 vec=     5.186775    -11.736381     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00016284453423
                2p
                   -1 :              -0.00003593908899
                   +0 :               0.00005399497317
                   +1 :               0.00003853737095
                3s
                   +0 :              -0.00107234510242
                4s
                   +0 :               0.00020767327354
                3p
                   -1 :               0.00050836523155
                   +0 :              -0.00050961153367
                   +1 :              -0.00021738661240
                4p
                   -1 :              -0.00007596812550
                   +0 :               0.00007943320382
                   +1 :               0.00003668585834
                3d
                   -2 :               0.00006952783729
                   -1 :               0.00013930202707
                   +0 :              -0.00007331435767
                   +1 :              -0.00004145586673
                   +2 :               0.00003220338381
             13 vec=    12.966938      1.739256     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00000780597028
                2p
                   -1 :               0.00000059422489
                   +0 :               0.00000182864145
                   +1 :               0.00000724404808
                3s
                   +0 :              -0.00004274746615
                4s
                   +0 :               0.00002524736170
                3p
                   -1 :              -0.00002385322615
                   +0 :              -0.00005897767128
                   +1 :              -0.00014867762611
                4p
                   -1 :               0.00000443236364
                   +0 :               0.00001723704736
                   +1 :               0.00004656245764
                3d
                   -2 :              -0.00001538340683
                   -1 :               0.00001685014796
                   +0 :               0.00001146695215
                   +1 :              -0.00002863153392
                   +2 :              -0.00003082433549
             14 vec=   -10.373550     -2.752623    -13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00002883805427
                2p
                   -1 :               0.00000865238830
                   +0 :               0.00000589978191
                   +1 :               0.00003100821849
                3s
                   +0 :              -0.00093331884352
                4s
                   +0 :               0.00002474813785
                3p
                   -1 :               0.00042022409803
                   +0 :               0.00014159130104
                   +1 :               0.00035151361393
                4p
                   -1 :              -0.00000976131974
                   +0 :              -0.00002316533059
                   +1 :               0.00003634613116
                3d
                   -2 :              -0.00015639066756
                   -1 :              -0.00003973942250
                   +0 :               0.00009562190450
                   +1 :              -0.00002300041186
                   +2 :              -0.00003381288144
             15 vec=    -2.593388     10.723014    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00002254779531
                2p
                   -1 :              -0.00000045561178
                   +0 :              -0.00000215283722
                   +1 :               0.00000408090441
                3s
                   +0 :              -0.00043308398574
                4s
                   +0 :               0.00005789325097
                3p
                   -1 :              -0.00020928875337
                   +0 :               0.00010238291025
                   +1 :               0.00005025468860
                4p
                   -1 :               0.00001288140972
                   +0 :              -0.00002742846342
                   +1 :               0.00000459681110
                3d
                   -2 :               0.00003526086182
                   -1 :               0.00003724113529
                   +0 :               0.00002051722998
                   +1 :              -0.00001600308152
                   +2 :               0.00002533950766
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al(  6)  npairs=  13
              1 vec=    -2.593388      1.739256     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00286107922839
                2p
                   -1 :               0.00081416011641
                   +0 :              -0.00182034920104
                   +1 :              -0.00137975452558
                3s
                   +0 :              -0.01519188076722
                4s
                   +0 :               0.00390160829143
                3p
                   -1 :              -0.00359767594377
                   +0 :               0.00510590124530
                   +1 :               0.00264029623769
                4p
                   -1 :               0.00071029099565
                   +0 :              -0.00252993272005
                   +1 :              -0.00100983702432
                3d
                   -2 :              -0.00295169116051
                   -1 :              -0.00023866226665
                   +0 :               0.00119453913227
                   +1 :               0.00212122348859
                   +2 :               0.00123232615754
              2 vec=     5.186775     -2.752623     -6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00001001033834
                2p
                   -1 :              -0.00012803265824
                   +0 :               0.00044109607667
                   +1 :              -0.00059080447397
                3s
                   +0 :              -0.00915633656876
                4s
                   +0 :              -0.00133120124253
                3p
                   -1 :               0.00627617728601
                   +0 :               0.00342462544900
                   +1 :              -0.00246162948227
                4p
                   -1 :              -0.00014682786234
                   +0 :               0.00131394697425
                   +1 :              -0.00121648891000
                3d
                   -2 :               0.00212594323871
                   -1 :              -0.00239494960778
                   +0 :               0.00001092314666
                   +1 :               0.00191396454267
                   +2 :               0.00006915669568
              3 vec=    -2.593388     -7.244502     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00119791449206
                2p
                   -1 :              -0.00034890524785
                   +0 :               0.00021350579242
                   +1 :               0.00031244170795
                3s
                   +0 :               0.00954806573777
                4s
                   +0 :               0.00030484360629
                3p
                   -1 :               0.00307289645048
                   +0 :              -0.00412817583532
                   +1 :              -0.00554702091943
                4p
                   -1 :              -0.00079885927029
                   +0 :              -0.00028488966599
                   +1 :               0.00015783020277
                3d
                   -2 :              -0.00082892386350
                   -1 :              -0.00092263399021
                   +0 :              -0.00017504273642
                   +1 :               0.00165422614093
                   +2 :               0.00209623061210
              4 vec=     5.186775      6.231135     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00015182070091
                2p
                   -1 :               0.00010207653099
                   +0 :               0.00022509992910
                   +1 :               0.00002127648543
                3s
                   +0 :              -0.00224792780278
                4s
                   +0 :               0.00036987607475
                3p
                   -1 :              -0.00159247406397
                   +0 :              -0.00093853220792
                   +1 :              -0.00037614127728
                4p
                   -1 :               0.00045073436256
                   +0 :               0.00040591600208
                   +1 :               0.00024471998326
                3d
                   -2 :              -0.00024058352029
                   -1 :               0.00018922673665
                   +0 :              -0.00032016938146
                   +1 :              -0.00017006598078
                   +2 :               0.00011484732813
              5 vec=   -10.373550     -2.752623     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00001904870207
                2p
                   -1 :               0.00000678250071
                   +0 :              -0.00004527455570
                   +1 :               0.00006848817925
                3s
                   +0 :              -0.00008061891359
                4s
                   +0 :              -0.00024731111543
                3p
                   -1 :               0.00003204351738
                   +0 :               0.00034715260358
                   +1 :              -0.00076250066250
                4p
                   -1 :               0.00002723431671
                   +0 :               0.00008664551190
                   +1 :               0.00029911539422
                3d
                   -2 :              -0.00001115182073
                   -1 :              -0.00006328724782
                   +0 :              -0.00031606934736
                   +1 :              -0.00006750814398
                   +2 :               0.00021113101018
              6 vec=    -2.593388     10.723014     -6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00003495628732
                2p
                   -1 :               0.00000344534216
                   +0 :              -0.00006023537504
                   +1 :              -0.00000840830099
                3s
                   +0 :              -0.00046769359862
                4s
                   +0 :               0.00023085603372
                3p
                   -1 :              -0.00010087826393
                   +0 :               0.00041341856828
                   +1 :               0.00001147576960
                4p
                   -1 :               0.00007983796326
                   +0 :              -0.00014015611265
                   +1 :              -0.00006739144300
                3d
                   -2 :               0.00006313387654
                   -1 :               0.00006659267367
                   +0 :              -0.00016375290015
                   +1 :              -0.00007239424497
                   +2 :              -0.00006517157768
              7 vec=   -10.373550      6.231135     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00006552188792
                2p
                   -1 :               0.00010474664123
                   +0 :              -0.00000653486237
                   +1 :               0.00006457714737
                3s
                   +0 :              -0.00032258521309
                4s
                   +0 :              -0.00004575543124
                3p
                   -1 :              -0.00048357187602
                   +0 :              -0.00020437649600
                   +1 :              -0.00034784435146
                4p
                   -1 :               0.00008087431345
                   +0 :               0.00007062136646
                   +1 :               0.00013319644773
                3d
                   -2 :              -0.00004154991216
                   -1 :               0.00004209517470
                   +0 :              -0.00003306834105
                   +1 :               0.00012286446544
                   +2 :              -0.00001034460573
              8 vec=     5.186775    -11.736381     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00037309262914
                2p
                   -1 :               0.00003744545572
                   +0 :               0.00003770691351
                   +1 :              -0.00005266401148
                3s
                   +0 :               0.00177108785923
                4s
                   +0 :              -0.00015764236476
                3p
                   -1 :               0.00021899034285
                   +0 :              -0.00055601759875
                   +1 :               0.00041054720862
                4p
                   -1 :              -0.00012769811193
                   +0 :              -0.00004476285243
                   +1 :               0.00005734821866
                3d
                   -2 :               0.00005412592454
                   -1 :               0.00002673757808
                   +0 :               0.00040298707573
                   +1 :              -0.00021079939299
                   +2 :               0.00011611807236
              9 vec=    12.966938      1.739256     -6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00003627426109
                2p
                   -1 :              -0.00001964141668
                   +0 :               0.00001183315631
                   +1 :              -0.00003841822666
                3s
                   +0 :              -0.00063216273247
                4s
                   +0 :               0.00011571582861
                3p
                   -1 :               0.00003048929982
                   +0 :               0.00007888462397
                   +1 :               0.00015226619580
                4p
                   -1 :              -0.00000043817711
                   +0 :               0.00000489690591
                   +1 :              -0.00004523395180
                3d
                   -2 :               0.00006605871066
                   -1 :              -0.00002987452275
                   +0 :              -0.00002750934394
                   +1 :               0.00000925201849
                   +2 :               0.00007700297070
             10 vec=    12.966938     -7.244502     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00021824643115
                2p
                   -1 :              -0.00002804214811
                   +0 :              -0.00007837205168
                   +1 :               0.00007537695895
                3s
                   +0 :              -0.00101162258319
                4s
                   +0 :               0.00020772452525
                3p
                   -1 :               0.00020112084364
                   +0 :               0.00053080861556
                   +1 :              -0.00047436374823
                4p
                   -1 :              -0.00000471666787
                   +0 :              -0.00008524857077
                   +1 :               0.00007972615336
                3d
                   -2 :               0.00005139982893
                   -1 :              -0.00003217493993
                   +0 :              -0.00007225218663
                   +1 :               0.00014386425886
                   +2 :              -0.00005247173466
             11 vec=   -10.373550    -11.736381     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00000645368260
                2p
                   -1 :              -0.00001593278522
                   +0 :              -0.00002962489943
                   +1 :               0.00000948253358
                3s
                   +0 :               0.00022745945202
                4s
                   +0 :               0.00000683629222
                3p
                   -1 :               0.00002322626147
                   +0 :               0.00010372622168
                   +1 :              -0.00013726719645
                4p
                   -1 :              -0.00003168671827
                   +0 :              -0.00007101901747
                   +1 :               0.00005120626147
                3d
                   -2 :               0.00003036936077
                   -1 :               0.00007195097631
                   +0 :               0.00002360255640
                   +1 :              -0.00000791713013
                   +2 :              -0.00000653450577
             12 vec=     5.186775     15.214893     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00000409144547
                2p
                   -1 :              -0.00000300729464
                   +0 :              -0.00001037943590
                   +1 :              -0.00001852245344
                3s
                   +0 :              -0.00003416231358
                4s
                   +0 :              -0.00001867915149
                3p
                   -1 :               0.00002034949315
                   +0 :               0.00001563964790
                   +1 :               0.00010974632793
                4p
                   -1 :              -0.00001753783767
                   +0 :               0.00000767790901
                   +1 :              -0.00003168651623
                3d
                   -2 :               0.00002428919367
                   -1 :               0.00001921240302
                   +0 :              -0.00003375815329
                   +1 :               0.00000553515749
                   +2 :               0.00000039905422
             13 vec=    -2.593388    -16.228260     -6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00001010195527
                2p
                   -1 :               0.00001704932907
                   +0 :              -0.00001586863983
                   +1 :              -0.00003700588737
                3s
                   +0 :               0.00045713239302
                4s
                   +0 :              -0.00004176148808
                3p
                   -1 :              -0.00017646734154
                   +0 :               0.00011251548291
                   +1 :               0.00033624366561
                4p
                   -1 :               0.00002503906840
                   +0 :              -0.00004152642861
                   +1 :              -0.00002736892618
                3d
                   -2 :              -0.00002120830401
                   -1 :               0.00003815670717
                   +0 :              -0.00001494749280
                   +1 :              -0.00005975912278
                   +2 :              -0.00004909611082
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al(  7)  npairs=  14
              1 vec=    -2.593388      1.739256      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00515822360498
                2p
                   -1 :              -0.00176638813748
                   +0 :              -0.00317902680176
                   +1 :               0.00187321394957
                3s
                   +0 :               0.01428109870632
                4s
                   +0 :              -0.00874395013560
                3p
                   -1 :               0.00438991879417
                   +0 :               0.01501121357042
                   +1 :              -0.00836223759662
                4p
                   -1 :              -0.00244171129302
                   +0 :              -0.00654892041868
                   +1 :               0.00382202839783
                3d
                   -2 :               0.00145502107687
                   -1 :               0.00102212546379
                   +0 :               0.00273261956104
                   +1 :              -0.00089536504189
                   +2 :              -0.00005807925669
              2 vec=     5.186775     -2.752623      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00164324696202
                2p
                   -1 :              -0.00061860449162
                   +0 :               0.00064372474881
                   +1 :               0.00138917630874
                3s
                   +0 :               0.01111568639564
                4s
                   +0 :               0.00183114515052
                3p
                   -1 :              -0.00825755116349
                   +0 :              -0.00020495529461
                   +1 :               0.00463214878294
                4p
                   -1 :               0.00016533949325
                   +0 :               0.00065639375104
                   +1 :               0.00197485639666
                3d
                   -2 :              -0.00371106794953
                   -1 :              -0.00057660868925
                   +0 :              -0.00250233373472
                   +1 :               0.00032924559908
                   +2 :               0.00042386963224
              3 vec=    -2.593388     -7.244502      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00067985610152
                2p
                   -1 :               0.00070752148723
                   +0 :               0.00019276612437
                   +1 :              -0.00070372328287
                3s
                   +0 :              -0.00339012931745
                4s
                   +0 :               0.00061126179023
                3p
                   -1 :              -0.00227655513617
                   +0 :              -0.00178786481876
                   +1 :               0.00323775522889
                4p
                   -1 :               0.00049672103700
                   +0 :               0.00051845152034
                   +1 :              -0.00059983447430
                3d
                   -2 :               0.00058749772282
                   -1 :              -0.00068267282541
                   +0 :               0.00004262774654
                   +1 :               0.00048105284075
                   +2 :              -0.00077028447650
              4 vec=     5.186775      6.231135      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00014926958511
                2p
                   -1 :               0.00021290832558
                   +0 :              -0.00037450456963
                   +1 :               0.00019484375272
                3s
                   +0 :               0.00052798087437
                4s
                   +0 :               0.00015451130569
                3p
                   -1 :              -0.00114633511997
                   +0 :               0.00242720413464
                   +1 :              -0.00077607496538
                4p
                   -1 :               0.00060738573208
                   +0 :              -0.00070212998321
                   +1 :               0.00055609123662
                3d
                   -2 :               0.00019259838774
                   -1 :               0.00031199302663
                   +0 :               0.00018843611840
                   +1 :               0.00029922641146
                   +2 :               0.00046491637068
              5 vec=   -10.373550     -2.752623      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00051918863988
                2p
                   -1 :              -0.00023243266220
                   +0 :               0.00016375761691
                   +1 :              -0.00019149962284
                3s
                   +0 :              -0.00140427957810
                4s
                   +0 :               0.00044317989930
                3p
                   -1 :               0.00064013227368
                   +0 :               0.00000861187771
                   +1 :               0.00123247106389
                4p
                   -1 :              -0.00022556607033
                   +0 :               0.00014349122124
                   +1 :              -0.00021545415081
                3d
                   -2 :              -0.00005608494478
                   -1 :              -0.00007079407403
                   +0 :               0.00034116414969
                   +1 :               0.00003270237595
                   +2 :              -0.00022558685814
              6 vec=    -2.593388     10.723014      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00039335887284
                2p
                   -1 :               0.00024694885378
                   +0 :               0.00017424088205
                   +1 :               0.00000545711121
                3s
                   +0 :              -0.00068311895118
                4s
                   +0 :               0.00015203485781
                3p
                   -1 :              -0.00116603029167
                   +0 :              -0.00052098788808
                   +1 :               0.00015806404236
                4p
                   -1 :               0.00012932178145
                   +0 :               0.00011629102258
                   +1 :               0.00008910619904
                3d
                   -2 :               0.00013905068465
                   -1 :              -0.00040805682825
                   +0 :               0.00015402882177
                   +1 :               0.00011933057263
                   +2 :               0.00038045169320
              7 vec=   -10.373550      6.231135      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00016744105634
                2p
                   -1 :              -0.00000097498695
                   +0 :              -0.00000776624836
                   +1 :               0.00012441231562
                3s
                   +0 :               0.00114258252655
                4s
                   +0 :              -0.00024267453754
                3p
                   -1 :               0.00008005470099
                   +0 :              -0.00007517228864
                   +1 :              -0.00090017645953
                4p
                   -1 :              -0.00001084904922
                   +0 :               0.00005235864794
                   +1 :               0.00020025261806
                3d
                   -2 :               0.00001128611104
                   -1 :              -0.00003694924113
                   +0 :               0.00004858285678
                   +1 :              -0.00001539861166
                   +2 :               0.00020088842326
              8 vec=     5.186775    -11.736381      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00042157155699
                2p
                   -1 :              -0.00012598526438
                   +0 :               0.00004338645656
                   +1 :               0.00027055402836
                3s
                   +0 :              -0.00120483229934
                4s
                   +0 :               0.00020611041901
                3p
                   -1 :               0.00027820501639
                   +0 :              -0.00029825925266
                   +1 :              -0.00117658348233
                4p
                   -1 :               0.00006377302681
                   +0 :               0.00008106814179
                   +1 :               0.00016834872974
                3d
                   -2 :               0.00022764459975
                   -1 :               0.00007645967434
                   +0 :               0.00006634432999
                   +1 :              -0.00015632978198
                   +2 :              -0.00010949265749
              9 vec=    12.966938      1.739256      5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00004571264575
                2p
                   -1 :              -0.00004162943024
                   +0 :               0.00000188529235
                   +1 :              -0.00004735209451
                3s
                   +0 :              -0.00027471431362
                4s
                   +0 :               0.00010174208064
                3p
                   -1 :               0.00027752456043
                   +0 :              -0.00016357208545
                   +1 :               0.00015686241434
                4p
                   -1 :              -0.00003495489454
                   +0 :               0.00005856975759
                   +1 :              -0.00000481457488
                3d
                   -2 :               0.00006077897859
                   -1 :               0.00005173859964
                   +0 :               0.00002224857676
                   +1 :               0.00003499002375
                   +2 :               0.00012747519636
             10 vec=    12.966938     -7.244502      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00009007648929
                2p
                   -1 :              -0.00000820012354
                   +0 :               0.00000040249520
                   +1 :               0.00001766021382
                3s
                   +0 :              -0.00048602802232
                4s
                   +0 :               0.00008659184886
                3p
                   -1 :               0.00017686714975
                   +0 :              -0.00008660984489
                   +1 :              -0.00009504205727
                4p
                   -1 :              -0.00002581267444
                   +0 :               0.00000503934475
                   +1 :               0.00001402920383
                3d
                   -2 :               0.00001837739249
                   -1 :               0.00003904761940
                   +0 :              -0.00003504924390
                   +1 :              -0.00000758727580
                   +2 :               0.00001548216740
             11 vec=   -10.373550    -11.736381      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00002224971372
                2p
                   -1 :              -0.00001387506873
                   +0 :              -0.00000124962065
                   +1 :               0.00000208924831
                3s
                   +0 :               0.00008130731910
                4s
                   +0 :              -0.00000099228236
                3p
                   -1 :               0.00008063775775
                   +0 :               0.00010011779513
                   +1 :              -0.00010184383611
                4p
                   -1 :              -0.00002567626481
                   +0 :              -0.00001893079091
                   +1 :              -0.00000502996018
                3d
                   -2 :              -0.00003090165418
                   -1 :               0.00001730460759
                   +0 :               0.00000289666783
                   +1 :              -0.00007036514080
                   +2 :               0.00003323258286
             12 vec=     5.186775     15.214893      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00002466115562
                2p
                   -1 :               0.00006279828799
                   +0 :               0.00001275319820
                   +1 :              -0.00000203025476
                3s
                   +0 :               0.00026983483697
                4s
                   +0 :               0.00004254512286
                3p
                   -1 :              -0.00014409524030
                   +0 :               0.00010070604911
                   +1 :              -0.00004068121990
                4p
                   -1 :               0.00008161441319
                   +0 :              -0.00001537225827
                   +1 :               0.00001210369816
                3d
                   -2 :              -0.00003545436410
                   -1 :              -0.00000234998198
                   +0 :               0.00003955344824
                   +1 :              -0.00001063129029
                   +2 :               0.00003159533947
             13 vec=    -2.593388    -16.228260      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00002209195511
                2p
                   -1 :               0.00000865667971
                   +0 :              -0.00000034825811
                   +1 :              -0.00002383667430
                3s
                   +0 :               0.00000347383770
                4s
                   +0 :              -0.00004103803023
                3p
                   -1 :              -0.00007090005812
                   +0 :               0.00009819565819
                   +1 :               0.00007156424216
                4p
                   -1 :               0.00005223207267
                   +0 :              -0.00004421686233
                   +1 :              -0.00003076675652
                3d
                   -2 :              -0.00003482733674
                   -1 :              -0.00001356660367
                   +0 :               0.00003375465031
                   +1 :              -0.00000899234095
                   +2 :              -0.00001410518403
             14 vec=    12.966938     10.723014      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000213915021
                2p
                   -1 :              -0.00000308548985
                   +0 :               0.00000105044078
                   +1 :               0.00002600879026
                3s
                   +0 :               0.00004293860882
                4s
                   +0 :               0.00002441020924
                3p
                   -1 :              -0.00002774192371
                   +0 :              -0.00003379500923
                   +1 :              -0.00011933912224
                4p
                   -1 :               0.00000510863927
                   +0 :               0.00001511716664
                   +1 :               0.00005120393957
                3d
                   -2 :              -0.00001605944245
                   -1 :              -0.00001657653203
                   +0 :               0.00000405494695
                   +1 :              -0.00001366898825
                   +2 :              -0.00000675833965
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al(  8)  npairs=  14
              1 vec=    -2.593388      1.739256     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02360552731133
                2p
                   -1 :              -0.01254842090903
                   +0 :               0.00498844493206
                   +1 :               0.01976625623342
                3s
                   +0 :              -0.03159481123869
                4s
                   +0 :              -0.01107490288342
                3p
                   -1 :              -0.03180363572712
                   +0 :              -0.02099895129553
                   +1 :               0.04405209068891
                4p
                   -1 :              -0.00508392747542
                   +0 :               0.00402586203018
                   +1 :               0.00947733084953
                3d
                   -2 :               0.03329013386315
                   -1 :               0.00049474814059
                   +0 :               0.03140182615132
                   +1 :              -0.00302433997711
                   +2 :              -0.01492584320702
              2 vec=     5.186775     -2.752623     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00131187239182
                2p
                   -1 :              -0.00062079492907
                   +0 :              -0.00000879679050
                   +1 :               0.00072138859676
                3s
                   +0 :              -0.00524254212374
                4s
                   +0 :               0.00320606844249
                3p
                   -1 :               0.00477901704259
                   +0 :               0.00342808875247
                   +1 :              -0.00368482910787
                4p
                   -1 :              -0.00133844436173
                   +0 :               0.00014816671391
                   +1 :               0.00072794781619
                3d
                   -2 :               0.00293791109896
                   -1 :              -0.00010920013662
                   +0 :              -0.00052726315789
                   +1 :               0.00132537428968
                   +2 :              -0.00011897840876
              3 vec=    -2.593388     -7.244502     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00067047847752
                2p
                   -1 :              -0.00007252391610
                   +0 :              -0.00030095456952
                   +1 :              -0.00079687300657
                3s
                   +0 :              -0.00009830033862
                4s
                   +0 :               0.00137390343849
                3p
                   -1 :              -0.00237775692033
                   +0 :               0.00157997552609
                   +1 :               0.00481594539214
                4p
                   -1 :              -0.00069998766706
                   +0 :              -0.00086916277703
                   +1 :              -0.00134806200172
                3d
                   -2 :              -0.00153962414675
                   -1 :               0.00185608467462
                   +0 :              -0.00082399494085
                   +1 :               0.00006705188099
                   +2 :              -0.00176620748003
              4 vec=     5.186775      6.231135     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00036771388877
                2p
                   -1 :               0.00101901262770
                   +0 :               0.00007715766869
                   +1 :               0.00024239157143
                3s
                   +0 :              -0.00065480963006
                4s
                   +0 :               0.00078809587566
                3p
                   -1 :              -0.00510101734323
                   +0 :              -0.00182736290587
                   +1 :               0.00101790950507
                4p
                   -1 :               0.00139095874565
                   +0 :               0.00018560900128
                   +1 :               0.00028009461373
                3d
                   -2 :              -0.00061198415491
                   -1 :               0.00032497396288
                   +0 :              -0.00029655662668
                   +1 :              -0.00073534288948
                   +2 :               0.00096977017709
              5 vec=   -10.373550     -2.752623     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00014156901749
                2p
                   -1 :              -0.00003352739942
                   +0 :               0.00015060298139
                   +1 :              -0.00006404118648
                3s
                   +0 :              -0.00278205903808
                4s
                   +0 :               0.00037182580516
                3p
                   -1 :               0.00014433355511
                   +0 :              -0.00160427130316
                   +1 :               0.00132948532926
                4p
                   -1 :              -0.00013553564705
                   +0 :               0.00023796789228
                   +1 :              -0.00034233836574
                3d
                   -2 :              -0.00010778317195
                   -1 :               0.00013121102395
                   +0 :              -0.00032249436449
                   +1 :               0.00033706491944
                   +2 :               0.00005110411200
              6 vec=    -2.593388     10.723014     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00017105066097
                2p
                   -1 :               0.00006503532682
                   +0 :               0.00014263095387
                   +1 :               0.00007695003105
                3s
                   +0 :              -0.00072912289705
                4s
                   +0 :               0.00013536474028
                3p
                   -1 :              -0.00055512943369
                   +0 :              -0.00128456808689
                   +1 :              -0.00031684707352
                4p
                   -1 :               0.00008195485141
                   +0 :               0.00015234651097
                   +1 :               0.00013590872237
                3d
                   -2 :              -0.00003199778407
                   -1 :              -0.00041641589191
                   +0 :              -0.00019198795706
                   +1 :               0.00003419737990
                   +2 :               0.00004405871323
              7 vec=   -10.373550      6.231135     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00009127963683
                2p
                   -1 :               0.00010199478547
                   +0 :              -0.00007385528794
                   +1 :               0.00006424852093
                3s
                   +0 :              -0.00048334899113
                4s
                   +0 :               0.00005108506715
                3p
                   -1 :              -0.00047905908305
                   +0 :               0.00024893760083
                   +1 :              -0.00025386677671
                4p
                   -1 :               0.00007769167353
                   +0 :              -0.00004964663301
                   +1 :               0.00011987723625
                3d
                   -2 :              -0.00002308164643
                   -1 :               0.00009641536222
                   +0 :              -0.00010626527508
                   +1 :               0.00001054783193
                   +2 :              -0.00003761970151
              8 vec=     5.186775    -11.736381     -1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00013066293158
                2p
                   -1 :               0.00013381909862
                   +0 :              -0.00006734040888
                   +1 :               0.00007695070402
                3s
                   +0 :               0.00126859167986
                4s
                   +0 :              -0.00011237255694
                3p
                   -1 :              -0.00039824053524
                   +0 :               0.00193089568341
                   +1 :               0.00061672547462
                4p
                   -1 :               0.00013979207277
                   +0 :              -0.00015089348565
                   +1 :               0.00007908776865
                3d
                   -2 :              -0.00024750868619
                   -1 :              -0.00014350998145
                   +0 :               0.00026522528854
                   +1 :               0.00024731560074
                   +2 :              -0.00013755327642
              9 vec=    12.966938      1.739256     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00028522373201
                2p
                   -1 :              -0.00015243682107
                   +0 :               0.00003696745559
                   +1 :              -0.00014819179989
                3s
                   +0 :               0.00038143110708
                4s
                   +0 :              -0.00027165547684
                3p
                   -1 :               0.00056318033836
                   +0 :               0.00005773092058
                   +1 :               0.00061651121333
                4p
                   -1 :              -0.00016585993234
                   +0 :              -0.00002398360850
                   +1 :              -0.00019726783391
                3d
                   -2 :               0.00010105302259
                   -1 :              -0.00001631223064
                   +0 :              -0.00010226744688
                   +1 :              -0.00004304662511
                   +2 :               0.00002102019375
             10 vec=    12.966938     -7.244502     -1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00006340338273
                2p
                   -1 :              -0.00001028831522
                   +0 :              -0.00000447737298
                   +1 :              -0.00000852445380
                3s
                   +0 :              -0.00061097973852
                4s
                   +0 :               0.00008429358133
                3p
                   -1 :               0.00016210465017
                   +0 :               0.00011938285978
                   +1 :              -0.00007730953247
                4p
                   -1 :              -0.00003719768812
                   +0 :              -0.00005617130620
                   +1 :              -0.00002164128021
                3d
                   -2 :               0.00008186290030
                   -1 :               0.00000649227098
                   +0 :              -0.00010213518073
                   +1 :               0.00004539130951
                   +2 :               0.00002315751011
             11 vec=   -10.373550    -11.736381     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00004913470620
                2p
                   -1 :              -0.00005403214023
                   +0 :               0.00000118307975
                   +1 :               0.00000171812317
                3s
                   +0 :               0.00014782206899
                4s
                   +0 :              -0.00005431680795
                3p
                   -1 :               0.00018584408745
                   +0 :               0.00020025720271
                   +1 :              -0.00005127265561
                4p
                   -1 :              -0.00004530499331
                   +0 :              -0.00000509822893
                   +1 :               0.00007151451523
                3d
                   -2 :               0.00001758307749
                   -1 :              -0.00004953727011
                   +0 :               0.00009638325475
                   +1 :              -0.00005785678259
                   +2 :              -0.00005329904312
             12 vec=     5.186775     15.214893     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00003004454389
                2p
                   -1 :               0.00001228267517
                   +0 :               0.00001364862583
                   +1 :              -0.00001133499646
                3s
                   +0 :               0.00017240625365
                4s
                   +0 :              -0.00001548185059
                3p
                   -1 :              -0.00012384192055
                   +0 :              -0.00022911175568
                   +1 :               0.00012277138923
                4p
                   -1 :               0.00003573111046
                   +0 :               0.00003383718097
                   +1 :              -0.00000703348885
                3d
                   -2 :              -0.00002325481918
                   -1 :              -0.00000049507343
                   +0 :              -0.00004100827650
                   +1 :              -0.00005066528811
                   +2 :               0.00005956864055
             13 vec=    -2.593388    -16.228260     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00004528762565
                2p
                   -1 :              -0.00000343658412
                   +0 :               0.00002011068300
                   +1 :               0.00002480064402
                3s
                   +0 :               0.00055212936377
                4s
                   +0 :              -0.00011331123387
                3p
                   -1 :               0.00005156369977
                   +0 :              -0.00003348687858
                   +1 :               0.00001606435097
                4p
                   -1 :              -0.00002129228197
                   +0 :               0.00003727612664
                   +1 :              -0.00001073876037
                3d
                   -2 :              -0.00002009668865
                   -1 :              -0.00002797383176
                   +0 :               0.00009273443376
                   +1 :               0.00004364061853
                   +2 :               0.00002542110117
             14 vec=    12.966938     10.723014     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00004317027910
                2p
                   -1 :              -0.00003266791369
                   +0 :              -0.00000354998954
                   +1 :               0.00001484155997
                3s
                   +0 :              -0.00024029494993
                4s
                   +0 :               0.00008320029336
                3p
                   -1 :               0.00017959176718
                   +0 :              -0.00003225453497
                   +1 :              -0.00007614671890
                4p
                   -1 :              -0.00003825106368
                   +0 :              -0.00000529692735
                   +1 :               0.00003355175061
                3d
                   -2 :               0.00004051004760
                   -1 :              -0.00002834834771
                   +0 :              -0.00002866859912
                   +1 :               0.00002717140867
                   +2 :              -0.00000474933567
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al(  9)  npairs=  14
              1 vec=     2.593388      1.739256     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00527591413902
                2p
                   -1 :               0.00138036287179
                   +0 :              -0.00292904835271
                   +1 :               0.00170317266356
                3s
                   +0 :              -0.01858998731522
                4s
                   +0 :               0.00762531772013
                3p
                   -1 :              -0.00663671847297
                   +0 :               0.01461383162188
                   +1 :              -0.00289215454577
                4p
                   -1 :               0.00204041488963
                   +0 :              -0.00557324187501
                   +1 :               0.00253915618735
                3d
                   -2 :               0.00237812088018
                   -1 :               0.00127183216471
                   +0 :              -0.00210209747897
                   +1 :              -0.00007969524442
                   +2 :               0.00001655359992
              2 vec=    -5.186775     -2.752623     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00151910159657
                2p
                   -1 :               0.00055242251711
                   +0 :               0.00038521064291
                   +1 :               0.00125132307716
                3s
                   +0 :              -0.00552146005007
                4s
                   +0 :              -0.00069580271297
                3p
                   -1 :               0.00537386489744
                   +0 :               0.00018397087861
                   +1 :               0.00001483709344
                4p
                   -1 :               0.00039191314178
                   +0 :              -0.00021908001264
                   +1 :               0.00130710768936
                3d
                   -2 :              -0.00151868102364
                   -1 :              -0.00022774127520
                   +0 :               0.00191442771809
                   +1 :               0.00043063302815
                   +2 :               0.00113916327326
              3 vec=     2.593388     -7.244502     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00031919942086
                2p
                   -1 :              -0.00094599191142
                   +0 :              -0.00012066364192
                   +1 :              -0.00050121401050
                3s
                   +0 :               0.00459064947982
                4s
                   +0 :               0.00022171664300
                3p
                   -1 :               0.00779583147764
                   +0 :               0.00019087605015
                   +1 :               0.00653625839750
                4p
                   -1 :              -0.00139018848659
                   +0 :               0.00004683292240
                   +1 :              -0.00039752071305
                3d
                   -2 :               0.00194479267168
                   -1 :              -0.00158907287678
                   +0 :              -0.00102819253472
                   +1 :              -0.00016746098786
                   +2 :               0.00212779898483
              4 vec=    -5.186775      6.231135     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00011227080316
                2p
                   -1 :              -0.00020701957301
                   +0 :              -0.00037147378926
                   +1 :               0.00025972110239
                3s
                   +0 :              -0.00168377614661
                4s
                   +0 :               0.00000372801442
                3p
                   -1 :               0.00024810307202
                   +0 :               0.00319475686362
                   +1 :              -0.00126992579043
                4p
                   -1 :              -0.00025036865365
                   +0 :              -0.00083251076708
                   +1 :               0.00035898839365
                3d
                   -2 :               0.00000848776425
                   -1 :               0.00095767183525
                   +0 :              -0.00047782225178
                   +1 :              -0.00000658010867
                   +2 :              -0.00033008674047
              5 vec=    10.373550     -2.752623     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00001816533712
                2p
                   -1 :               0.00012854843166
                   +0 :              -0.00000494061683
                   +1 :              -0.00018112894269
                3s
                   +0 :              -0.00136497430275
                4s
                   +0 :              -0.00020983193947
                3p
                   -1 :              -0.00011439839920
                   +0 :               0.00132155642328
                   +1 :               0.00082451473008
                4p
                   -1 :               0.00014870539214
                   +0 :              -0.00014776120168
                   +1 :              -0.00034939251686
                3d
                   -2 :              -0.00010923274935
                   -1 :              -0.00019312586864
                   +0 :              -0.00047739900632
                   +1 :               0.00020249349523
                   +2 :               0.00017040934743
              6 vec=     2.593388     10.723014     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00033347894942
                2p
                   -1 :              -0.00014684361549
                   +0 :               0.00007265329498
                   +1 :               0.00001870387552
                3s
                   +0 :               0.00081247568561
                4s
                   +0 :              -0.00030749280805
                3p
                   -1 :               0.00067111458923
                   +0 :              -0.00021318987330
                   +1 :               0.00009251850583
                4p
                   -1 :              -0.00014813294538
                   +0 :               0.00011951296207
                   +1 :              -0.00004584434586
                3d
                   -2 :              -0.00010046848146
                   -1 :              -0.00012777270696
                   +0 :              -0.00017215822686
                   +1 :               0.00002240096873
                   +2 :              -0.00014782401876
              7 vec=    10.373550      6.231135     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00023486605143
                2p
                   -1 :              -0.00004771188318
                   +0 :              -0.00004595458688
                   +1 :               0.00011030193091
                3s
                   +0 :              -0.00128459575316
                4s
                   +0 :               0.00023716975149
                3p
                   -1 :               0.00018746793971
                   +0 :               0.00008574730133
                   +1 :              -0.00054291556728
                4p
                   -1 :              -0.00005702429319
                   +0 :               0.00002234284994
                   +1 :               0.00010465735732
                3d
                   -2 :               0.00005676933255
                   -1 :              -0.00006378685078
                   +0 :              -0.00001844491002
                   +1 :              -0.00002604287501
                   +2 :              -0.00016169869279
              8 vec=    -5.186775    -11.736381     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00110686281937
                2p
                   -1 :               0.00027389759104
                   +0 :               0.00034244739859
                   +1 :               0.00029315026903
                3s
                   +0 :               0.00571304151527
                4s
                   +0 :              -0.00078829693071
                3p
                   -1 :              -0.00111463780553
                   +0 :              -0.00304512317556
                   +1 :              -0.00195021591210
                4p
                   -1 :               0.00016501357376
                   +0 :               0.00046190809652
                   +1 :               0.00011864084615
                3d
                   -2 :               0.00008405785089
                   -1 :               0.00045693456087
                   +0 :               0.00036079310475
                   +1 :               0.00064809567153
                   +2 :               0.00015108422279
              9 vec=   -12.966938      1.739256     -5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00007083193825
                2p
                   -1 :              -0.00003921073601
                   +0 :               0.00004807065595
                   +1 :               0.00005137398982
                3s
                   +0 :              -0.00074478443403
                4s
                   +0 :               0.00002644490673
                3p
                   -1 :               0.00026610899448
                   +0 :              -0.00023486689707
                   +1 :              -0.00027731164536
                4p
                   -1 :              -0.00004282729476
                   +0 :               0.00004868587905
                   +1 :               0.00005992489988
                3d
                   -2 :               0.00000036186795
                   -1 :              -0.00010047274197
                   +0 :              -0.00001049908946
                   +1 :               0.00017004264659
                   +2 :               0.00022292000588
             10 vec=   -12.966938     -7.244502     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00009037580218
                2p
                   -1 :              -0.00000856837487
                   +0 :              -0.00000271183931
                   +1 :               0.00005174331266
                3s
                   +0 :               0.00009236461126
                4s
                   +0 :              -0.00009510350975
                3p
                   -1 :               0.00014522691509
                   +0 :               0.00009867601752
                   +1 :              -0.00008801835453
                4p
                   -1 :              -0.00002295029656
                   +0 :              -0.00002460882100
                   +1 :               0.00006531205731
                3d
                   -2 :              -0.00002041950050
                   -1 :               0.00000887385265
                   +0 :               0.00000168043640
                   +1 :               0.00000077827969
                   +2 :              -0.00003635984758
             11 vec=    10.373550    -11.736381     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00001870789431
                2p
                   -1 :              -0.00002988072231
                   +0 :               0.00003427085141
                   +1 :              -0.00000098805371
                3s
                   +0 :               0.00008493563780
                4s
                   +0 :              -0.00000047564080
                3p
                   -1 :              -0.00000533476153
                   +0 :              -0.00024529685521
                   +1 :              -0.00004165759892
                4p
                   -1 :              -0.00002233407145
                   +0 :               0.00004630623681
                   +1 :               0.00000793737497
                3d
                   -2 :              -0.00002294076056
                   -1 :               0.00005881552414
                   +0 :               0.00004466586030
                   +1 :              -0.00003551378124
                   +2 :              -0.00004625993441
             12 vec=    -5.186775     15.214893     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00006493918982
                2p
                   -1 :              -0.00005206899931
                   +0 :               0.00001976583686
                   +1 :              -0.00003112430535
                3s
                   +0 :               0.00009490550027
                4s
                   +0 :              -0.00003013965159
                3p
                   -1 :               0.00019082036276
                   +0 :              -0.00003193021069
                   +1 :               0.00016786588751
                4p
                   -1 :              -0.00003619152720
                   +0 :               0.00001419024736
                   +1 :              -0.00006139085659
                3d
                   -2 :              -0.00000661642098
                   -1 :              -0.00001419259041
                   +0 :              -0.00003274536617
                   +1 :              -0.00002869868428
                   +2 :              -0.00002220602261
             13 vec=     2.593388    -16.228260     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00007793626042
                2p
                   -1 :               0.00000996391783
                   +0 :               0.00002007487955
                   +1 :               0.00000494547432
                3s
                   +0 :               0.00095828279116
                4s
                   +0 :              -0.00011766428250
                3p
                   -1 :              -0.00014615162181
                   +0 :              -0.00012009031068
                   +1 :              -0.00008358082747
                4p
                   -1 :              -0.00000216928134
                   +0 :               0.00005606966193
                   +1 :              -0.00001066421616
                3d
                   -2 :              -0.00003286007306
                   -1 :              -0.00002276377416
                   +0 :               0.00005014200890
                   +1 :              -0.00005956062212
                   +2 :              -0.00003338033752
             14 vec=   -12.966938     10.723014     -5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00008002981197
                2p
                   -1 :               0.00003212276123
                   +0 :              -0.00000818458445
                   +1 :              -0.00000032031470
                3s
                   +0 :              -0.00044580359077
                4s
                   +0 :               0.00007870735871
                3p
                   -1 :              -0.00018844337763
                   +0 :               0.00007021352594
                   +1 :               0.00002864226097
                4p
                   -1 :               0.00003644785035
                   +0 :              -0.00001374520541
                   +1 :               0.00000254986065
                3d
                   -2 :               0.00003279613711
                   -1 :               0.00002808804850
                   +0 :               0.00001402821252
                   +1 :               0.00000593154207
                   +2 :               0.00004968100474
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al( 10)  npairs=  14
              1 vec=     2.593388      1.739256      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02199586085442
                2p
                   -1 :               0.01141047310831
                   +0 :               0.00432972335461
                   +1 :               0.01905419719066
                3s
                   +0 :               0.04633149892150
                4s
                   +0 :               0.00881881497451
                3p
                   -1 :               0.03581533635840
                   +0 :              -0.01651329590304
                   +1 :               0.05762061425608
                4p
                   -1 :               0.00310982097146
                   +0 :               0.00317297833108
                   +1 :               0.00882691998493
                3d
                   -2 :               0.03462735889354
                   -1 :              -0.00194176468643
                   +0 :              -0.03320751622551
                   +1 :               0.00071468505947
                   +2 :               0.01891230217746
              2 vec=    -5.186775     -2.752623      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00121870387014
                2p
                   -1 :               0.00093519929548
                   +0 :               0.00027775093781
                   +1 :               0.00121792850097
                3s
                   +0 :              -0.00334170887249
                4s
                   +0 :              -0.00297441644871
                3p
                   -1 :              -0.00856501464745
                   +0 :               0.00144789728296
                   +1 :              -0.00095052957317
                4p
                   -1 :               0.00159490569065
                   +0 :               0.00046619888048
                   +1 :               0.00125644228146
                3d
                   -2 :               0.00364694097734
                   -1 :              -0.00095552719167
                   +0 :               0.00102608315492
                   +1 :              -0.00168700346492
                   +2 :               0.00048692682959
              3 vec=     2.593388     -7.244502      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00019145022695
                2p
                   -1 :              -0.00005189600911
                   +0 :              -0.00019664992765
                   +1 :              -0.00063675805454
                3s
                   +0 :              -0.00824852999829
                4s
                   +0 :               0.00065713581279
                3p
                   -1 :               0.00773187841823
                   +0 :               0.00201168348936
                   +1 :               0.00419068466975
                4p
                   -1 :              -0.00050922171174
                   +0 :              -0.00086343408364
                   +1 :              -0.00076948417046
                3d
                   -2 :              -0.00159581660569
                   -1 :              -0.00018638338342
                   +0 :               0.00132855638676
                   +1 :               0.00026058009354
                   +2 :               0.00174428690908
              4 vec=    -5.186775      6.231135      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00050949976212
                2p
                   -1 :              -0.00060528080929
                   +0 :               0.00011018010243
                   +1 :               0.00003044245318
                3s
                   +0 :               0.00302200505212
                4s
                   +0 :              -0.00077145290802
                3p
                   -1 :               0.00216379163574
                   +0 :               0.00032965578681
                   +1 :              -0.00009520488363
                4p
                   -1 :              -0.00092789251354
                   +0 :               0.00005862469962
                   +1 :              -0.00006680203181
                3d
                   -2 :              -0.00012836670530
                   -1 :               0.00043262531827
                   +0 :               0.00025499667655
                   +1 :              -0.00001935005490
                   +2 :              -0.00039020312638
              5 vec=    10.373550     -2.752623      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00017858035692
                2p
                   -1 :               0.00008878628892
                   +0 :               0.00016472850613
                   +1 :               0.00004249686838
                3s
                   +0 :              -0.00018542373363
                4s
                   +0 :              -0.00006481562667
                3p
                   -1 :              -0.00153090536870
                   +0 :              -0.00226203879195
                   +1 :               0.00062916116587
                4p
                   -1 :               0.00027757343328
                   +0 :               0.00030695754694
                   +1 :              -0.00029709711167
                3d
                   -2 :              -0.00008142485137
                   -1 :              -0.00003603108856
                   +0 :               0.00002534749475
                   +1 :              -0.00047344913725
                   +2 :               0.00001555181864
              6 vec=     2.593388     10.723014      1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00023162578047
                2p
                   -1 :              -0.00013609958127
                   +0 :               0.00004269233502
                   +1 :               0.00005239628730
                3s
                   +0 :               0.00268910011651
                4s
                   +0 :              -0.00067633426031
                3p
                   -1 :               0.00161091223538
                   +0 :              -0.00087978742167
                   +1 :              -0.00009594498185
                4p
                   -1 :              -0.00046636178682
                   +0 :               0.00013260953810
                   +1 :               0.00004269315582
                3d
                   -2 :              -0.00027257517207
                   -1 :              -0.00033493139062
                   +0 :               0.00027727485090
                   +1 :               0.00015859362329
                   +2 :              -0.00020586552344
              7 vec=    10.373550      6.231135      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00028905929055
                2p
                   -1 :              -0.00010842909068
                   +0 :              -0.00026698000652
                   +1 :              -0.00010948333389
                3s
                   +0 :               0.00074605891121
                4s
                   +0 :              -0.00007132371237
                3p
                   -1 :               0.00048786856608
                   +0 :               0.00117635532986
                   +1 :               0.00052260844273
                4p
                   -1 :              -0.00003161091065
                   +0 :              -0.00025124518007
                   +1 :              -0.00005869292055
                3d
                   -2 :               0.00010683339391
                   -1 :               0.00012204431256
                   +0 :               0.00005174704364
                   +1 :               0.00012753073766
                   +2 :               0.00002631833124
              8 vec=    -5.186775    -11.736381      1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00012873689654
                2p
                   -1 :              -0.00010850107455
                   +0 :               0.00021207539144
                   +1 :               0.00011056146410
                3s
                   +0 :              -0.00048973586996
                4s
                   +0 :              -0.00016803761802
                3p
                   -1 :               0.00056746413631
                   +0 :              -0.00067725366350
                   +1 :              -0.00073782764463
                4p
                   -1 :              -0.00006505338558
                   +0 :               0.00008192154072
                   +1 :               0.00018861707782
                3d
                   -2 :               0.00007477560480
                   -1 :               0.00020162649699
                   +0 :               0.00024324463688
                   +1 :               0.00006447513808
                   +2 :               0.00014310143479
              9 vec=   -12.966938      1.739256      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00005792914279
                2p
                   -1 :               0.00002763128235
                   +0 :              -0.00004533375598
                   +1 :              -0.00008248056311
                3s
                   +0 :              -0.00010249194144
                4s
                   +0 :               0.00012553233910
                3p
                   -1 :               0.00003257244319
                   +0 :               0.00040688212732
                   +1 :               0.00029611594513
                4p
                   -1 :               0.00003174010648
                   +0 :              -0.00007828853715
                   +1 :              -0.00008109650778
                3d
                   -2 :              -0.00000095815919
                   -1 :               0.00008419773772
                   +0 :               0.00008045850284
                   +1 :               0.00002260299805
                   +2 :              -0.00005298610710
             10 vec=   -12.966938     -7.244502      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00017157696363
                2p
                   -1 :              -0.00001914527353
                   +0 :               0.00004451514621
                   +1 :              -0.00003454738855
                3s
                   +0 :              -0.00096428917237
                4s
                   +0 :               0.00023535120309
                3p
                   -1 :               0.00026025179330
                   +0 :              -0.00013046547401
                   +1 :               0.00041450147176
                4p
                   -1 :              -0.00002677653263
                   +0 :               0.00005502749538
                   +1 :              -0.00012009249105
                3d
                   -2 :              -0.00004363872314
                   -1 :              -0.00006600966762
                   +0 :               0.00002556253010
                   +1 :               0.00000121820057
                   +2 :              -0.00006404657308
             11 vec=    10.373550    -11.736381      1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00009204590629
                2p
                   -1 :              -0.00002158498042
                   +0 :              -0.00001437597054
                   +1 :               0.00001892457750
                3s
                   +0 :              -0.00037417654087
                4s
                   +0 :               0.00007129613215
                3p
                   -1 :               0.00009611945232
                   +0 :               0.00001641438290
                   +1 :              -0.00018047738109
                4p
                   -1 :               0.00001319815979
                   +0 :              -0.00000117258612
                   +1 :               0.00002684195614
                3d
                   -2 :               0.00008107399416
                   -1 :               0.00004705139547
                   +0 :              -0.00000803346632
                   +1 :               0.00001466595477
                   +2 :              -0.00006270681953
             12 vec=    -5.186775     15.214893      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00004502911150
                2p
                   -1 :               0.00001290557099
                   +0 :               0.00001737267440
                   +1 :              -0.00001387218284
                3s
                   +0 :               0.00039898772461
                4s
                   +0 :              -0.00005969211107
                3p
                   -1 :              -0.00001210217568
                   +0 :              -0.00008019463768
                   +1 :               0.00008001449458
                4p
                   -1 :               0.00001223913482
                   +0 :              -0.00000881051079
                   +1 :              -0.00001025760644
                3d
                   -2 :               0.00002456003015
                   -1 :              -0.00003974354781
                   +0 :               0.00003806950496
                   +1 :              -0.00002319066732
                   +2 :               0.00000378718204
             13 vec=     2.593388    -16.228260      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00000780678211
                2p
                   -1 :              -0.00000811101702
                   +0 :               0.00000351724329
                   +1 :              -0.00003612226524
                3s
                   +0 :              -0.00001216316139
                4s
                   +0 :               0.00009916408556
                3p
                   -1 :               0.00010671973721
                   +0 :               0.00006042206117
                   +1 :               0.00015856329952
                4p
                   -1 :              -0.00008625879695
                   +0 :              -0.00004472468333
                   +1 :              -0.00001355405546
                3d
                   -2 :              -0.00006782788443
                   -1 :              -0.00001632174133
                   +0 :              -0.00005901462804
                   +1 :               0.00001194575825
                   +2 :              -0.00000219128578
             14 vec=   -12.966938     10.723014      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00003493724858
                2p
                   -1 :               0.00000429667320
                   +0 :               0.00000759966392
                   +1 :              -0.00000839439370
                3s
                   +0 :               0.00018214482450
                4s
                   +0 :              -0.00007116802517
                3p
                   -1 :               0.00001102902113
                   +0 :              -0.00003654352353
                   +1 :               0.00002381209763
                4p
                   -1 :              -0.00000024620691
                   +0 :               0.00000840404697
                   +1 :               0.00001187593593
                3d
                   -2 :               0.00002011239891
                   -1 :               0.00000462426618
                   +0 :               0.00002207119094
                   +1 :              -0.00000804653293
                   +2 :              -0.00002434555079
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al( 11)  npairs=  15
              1 vec=     2.593388      1.739256    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00051578394657
                2p
                   -1 :              -0.00031255099638
                   +0 :               0.00036684145361
                   +1 :              -0.00046055836315
                3s
                   +0 :              -0.00097814264101
                4s
                   +0 :              -0.00001757880873
                3p
                   -1 :               0.00105071125347
                   +0 :              -0.00033082500358
                   +1 :               0.00326914782383
                4p
                   -1 :              -0.00020032327959
                   +0 :               0.00014531914257
                   +1 :              -0.00056255530767
                3d
                   -2 :               0.00033736981053
                   -1 :              -0.00013385111987
                   +0 :              -0.00004005532022
                   +1 :              -0.00026988786608
                   +2 :              -0.00016916173202
              2 vec=    -5.186775     -2.752623    -10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00037094760717
                2p
                   -1 :              -0.00005701985343
                   +0 :              -0.00003130477656
                   +1 :               0.00000806467550
                3s
                   +0 :              -0.00269694044223
                4s
                   +0 :               0.00057262602215
                3p
                   -1 :               0.00136454332701
                   +0 :               0.00051763852803
                   +1 :              -0.00018082108819
                4p
                   -1 :               0.00002212833922
                   +0 :              -0.00017359005295
                   +1 :              -0.00008628671496
                3d
                   -2 :               0.00035333040986
                   -1 :              -0.00006469973381
                   +0 :               0.00036646883456
                   +1 :               0.00032056847121
                   +2 :               0.00063008728201
              3 vec=     2.593388     -7.244502    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00003213469467
                2p
                   -1 :              -0.00019275896367
                   +0 :              -0.00006514183980
                   +1 :              -0.00009878488179
                3s
                   +0 :               0.00045246425662
                4s
                   +0 :               0.00004406365545
                3p
                   -1 :               0.00290807437224
                   +0 :               0.00089042607789
                   +1 :               0.00158584898669
                4p
                   -1 :              -0.00016669515816
                   +0 :              -0.00013712887968
                   +1 :              -0.00006297959223
                3d
                   -2 :               0.00059725449776
                   -1 :              -0.00073836355952
                   +0 :              -0.00047823729206
                   +1 :              -0.00010441903813
                   +2 :               0.00039076527954
              4 vec=    -5.186775      6.231135    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00015264999821
                2p
                   -1 :              -0.00004992356411
                   +0 :               0.00004629814490
                   +1 :              -0.00000361482658
                3s
                   +0 :              -0.00256410210779
                4s
                   +0 :               0.00034962504195
                3p
                   -1 :              -0.00045687445080
                   +0 :               0.00086647465335
                   +1 :               0.00119625979177
                4p
                   -1 :               0.00003117513082
                   +0 :              -0.00004671736576
                   +1 :              -0.00004293512415
                3d
                   -2 :               0.00023571066901
                   -1 :               0.00005584625801
                   +0 :              -0.00030073335211
                   +1 :              -0.00045597928198
                   +2 :              -0.00026607717945
              5 vec=     2.593388      1.739256     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00003542357140
                2p
                   -1 :              -0.00002861827508
                   +0 :              -0.00002139809136
                   +1 :               0.00012072512537
                3s
                   +0 :               0.00014785369981
                4s
                   +0 :              -0.00007217507506
                3p
                   -1 :               0.00001389470681
                   +0 :               0.00008694097146
                   +1 :              -0.00062329853284
                4p
                   -1 :              -0.00002333570998
                   +0 :              -0.00003899490035
                   +1 :               0.00010074857845
                3d
                   -2 :               0.00005487086871
                   -1 :               0.00006495948707
                   +0 :              -0.00000576219301
                   +1 :              -0.00011002549901
                   +2 :              -0.00007153095681
              6 vec=    -5.186775     -2.752623     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00015740702519
                2p
                   -1 :               0.00006672285469
                   +0 :              -0.00000266656398
                   +1 :               0.00012460375392
                3s
                   +0 :               0.00030701525892
                4s
                   +0 :              -0.00004256233035
                3p
                   -1 :              -0.00025833612942
                   +0 :              -0.00012955152374
                   +1 :              -0.00039840592273
                4p
                   -1 :               0.00004732647447
                   +0 :               0.00002622092624
                   +1 :               0.00001071512131
                3d
                   -2 :               0.00014431698449
                   -1 :               0.00001810849431
                   +0 :              -0.00010363122199
                   +1 :              -0.00001918007923
                   +2 :               0.00005081906187
              7 vec=    10.373550     -2.752623    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00005834178267
                2p
                   -1 :              -0.00003084612288
                   +0 :               0.00002326423450
                   +1 :              -0.00001114966157
                3s
                   +0 :              -0.00056555028245
                4s
                   +0 :               0.00008787394860
                3p
                   -1 :               0.00014196742527
                   +0 :              -0.00022120405097
                   +1 :               0.00001489660852
                4p
                   -1 :              -0.00000436453110
                   +0 :               0.00004806075901
                   +1 :              -0.00002298289675
                3d
                   -2 :              -0.00001541324555
                   -1 :               0.00005101400889
                   +0 :              -0.00011856643858
                   +1 :              -0.00003155531311
                   +2 :               0.00001633970462
              8 vec=     2.593388     10.723014    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00005239788678
                2p
                   -1 :              -0.00001298420031
                   +0 :               0.00003265190083
                   +1 :              -0.00001967992374
                3s
                   +0 :              -0.00029878948958
                4s
                   +0 :              -0.00001894812989
                3p
                   -1 :               0.00006694347677
                   +0 :              -0.00023574241273
                   +1 :               0.00007185881956
                4p
                   -1 :              -0.00005747674165
                   +0 :               0.00009290877529
                   +1 :              -0.00000658347071
                3d
                   -2 :               0.00000499570950
                   -1 :              -0.00003451077092
                   +0 :               0.00000151754417
                   +1 :              -0.00006868054430
                   +2 :              -0.00006760579118
              9 vec=     2.593388     -7.244502     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00010330279795
                2p
                   -1 :               0.00002874532171
                   +0 :              -0.00001983404953
                   +1 :               0.00003100397109
                3s
                   +0 :               0.00048892887076
                4s
                   +0 :              -0.00015744537612
                3p
                   -1 :              -0.00029174391081
                   +0 :               0.00021877282214
                   +1 :               0.00006755755512
                4p
                   -1 :               0.00004969745265
                   +0 :              -0.00008850185298
                   +1 :               0.00001196222073
                3d
                   -2 :              -0.00004595474998
                   -1 :              -0.00005816129097
                   +0 :               0.00001567406117
                   +1 :               0.00000710909442
                   +2 :               0.00004968573069
             10 vec=    -5.186775      6.231135     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00003389767232
                2p
                   -1 :               0.00002357615779
                   +0 :               0.00001018870426
                   +1 :               0.00002606851209
                3s
                   +0 :               0.00038324050514
                4s
                   +0 :              -0.00008722586214
                3p
                   -1 :               0.00017926841167
                   +0 :               0.00017785589836
                   +1 :              -0.00014619018503
                4p
                   -1 :               0.00004755779535
                   +0 :              -0.00009502541967
                   +1 :               0.00006008331886
                3d
                   -2 :              -0.00006028238166
                   -1 :              -0.00005403173258
                   +0 :               0.00001252681829
                   +1 :              -0.00005514415223
                   +2 :              -0.00011028717572
             11 vec=    10.373550      6.231135    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00013359499426
                2p
                   -1 :              -0.00005435232421
                   +0 :               0.00007521183563
                   +1 :              -0.00005571813602
                3s
                   +0 :               0.00014119493499
                4s
                   +0 :              -0.00020860226730
                3p
                   -1 :               0.00021071425777
                   +0 :              -0.00028970260023
                   +1 :               0.00021823970805
                4p
                   -1 :              -0.00005601181724
                   +0 :               0.00013667161291
                   +1 :              -0.00007244608292
                3d
                   -2 :               0.00001583547279
                   -1 :              -0.00003805726725
                   +0 :               0.00001186554512
                   +1 :              -0.00003719313218
                   +2 :              -0.00001704952833
             12 vec=    -5.186775    -11.736381    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00012765476235
                2p
                   -1 :              -0.00003302976515
                   +0 :              -0.00000572261387
                   +1 :               0.00002743454336
                3s
                   +0 :               0.00121380612353
                4s
                   +0 :              -0.00022261546484
                3p
                   -1 :              -0.00001714290957
                   +0 :               0.00008957879057
                   +1 :              -0.00024928330675
                4p
                   -1 :              -0.00003364226646
                   +0 :              -0.00000927832806
                   +1 :               0.00003784356148
                3d
                   -2 :              -0.00006873560316
                   -1 :               0.00004096872381
                   +0 :               0.00018742242531
                   +1 :              -0.00007868389117
                   +2 :               0.00002636211728
             13 vec=   -12.966938      1.739256    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00007393390905
                2p
                   -1 :               0.00001816427003
                   +0 :              -0.00001602762159
                   +1 :              -0.00001625566063
                3s
                   +0 :              -0.00042303469827
                4s
                   +0 :               0.00005114174945
                3p
                   -1 :              -0.00005627447747
                   +0 :               0.00007611320282
                   +1 :               0.00001594969838
                4p
                   -1 :               0.00001093206441
                   +0 :               0.00000637464858
                   +1 :               0.00001264342726
                3d
                   -2 :              -0.00001102219681
                   -1 :               0.00002053371790
                   +0 :              -0.00004730639024
                   +1 :              -0.00001202288515
                   +2 :               0.00001075635486
             14 vec=    10.373550     -2.752623     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00003258605432
                2p
                   -1 :              -0.00002666110690
                   +0 :               0.00002062098569
                   +1 :               0.00003811741435
                3s
                   +0 :               0.00040770370302
                4s
                   +0 :               0.00003408184171
                3p
                   -1 :              -0.00017019128776
                   +0 :               0.00003741886555
                   +1 :               0.00022670392579
                4p
                   -1 :              -0.00000277552629
                   +0 :               0.00001156394732
                   +1 :               0.00003794551905
                3d
                   -2 :              -0.00010927749403
                   -1 :              -0.00003347224482
                   +0 :              -0.00006430568911
                   +1 :               0.00004624363407
                   +2 :               0.00005237617249
             15 vec=     2.593388     10.723014     13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00000123755129
                2p
                   -1 :               0.00001701170231
                   +0 :               0.00000626879195
                   +1 :               0.00002652214081
                3s
                   +0 :               0.00044332099229
                4s
                   +0 :              -0.00003530224274
                3p
                   -1 :               0.00018012373393
                   +0 :               0.00008477922704
                   +1 :              -0.00003199855515
                4p
                   -1 :               0.00000727768191
                   +0 :              -0.00002355838838
                   +1 :               0.00004884644255
                3d
                   -2 :               0.00004733400284
                   -1 :               0.00001321678700
                   +0 :              -0.00003119192528
                   +1 :               0.00001754122391
                   +2 :              -0.00001166150523
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site Al( 12)  npairs=  13
              1 vec=     2.593388      1.739256      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00198579981402
                2p
                   -1 :              -0.00034228712332
                   +0 :              -0.00131111383163
                   +1 :              -0.00103340877902
                3s
                   +0 :               0.00783118151564
                4s
                   +0 :              -0.00283708201317
                3p
                   -1 :              -0.00215089787954
                   +0 :              -0.00103560725281
                   +1 :               0.00230717100906
                4p
                   -1 :               0.00046072064058
                   +0 :              -0.00167938256099
                   +1 :              -0.00036981373780
                3d
                   -2 :              -0.00329835658216
                   -1 :              -0.00203390761567
                   +0 :              -0.00339508440617
                   +1 :              -0.00207698955974
                   +2 :              -0.00225787173115
              2 vec=    -5.186775     -2.752623      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00129596491003
                2p
                   -1 :               0.00025238298215
                   +0 :               0.00011424601346
                   +1 :              -0.00017757666010
                3s
                   +0 :               0.01848866799219
                4s
                   +0 :              -0.00041470417956
                3p
                   -1 :              -0.00771859194887
                   +0 :               0.00961178144797
                   +1 :              -0.00938593158193
                4p
                   -1 :               0.00030160160181
                   +0 :               0.00048925719628
                   +1 :              -0.00044102827615
                3d
                   -2 :               0.00264958978250
                   -1 :              -0.00267050590116
                   +0 :               0.00104986302731
                   +1 :              -0.00411550241770
                   +2 :               0.00151074634019
              3 vec=     2.593388     -7.244502      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00100547660238
                2p
                   -1 :               0.00051851407785
                   +0 :               0.00046396662242
                   +1 :               0.00044599306512
                3s
                   +0 :              -0.00166649419815
                4s
                   +0 :              -0.00058805601149
                3p
                   -1 :              -0.00357907737099
                   +0 :              -0.00186587143483
                   +1 :              -0.00087433853897
                4p
                   -1 :               0.00138148052901
                   +0 :              -0.00013124469181
                   +1 :               0.00008560320923
                3d
                   -2 :              -0.00054792728999
                   -1 :              -0.00019293540871
                   +0 :               0.00047253734729
                   +1 :              -0.00026501316100
                   +2 :              -0.00140799444505
              4 vec=    -5.186775      6.231135      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00061539772193
                2p
                   -1 :              -0.00010255698793
                   +0 :               0.00001014177478
                   +1 :               0.00020381575553
                3s
                   +0 :               0.00339778980350
                4s
                   +0 :              -0.00111265444984
                3p
                   -1 :               0.00165439519331
                   +0 :              -0.00050106823777
                   +1 :              -0.00152652976447
                4p
                   -1 :              -0.00057216741083
                   +0 :               0.00010002997677
                   +1 :               0.00054952214788
                3d
                   -2 :              -0.00041061973582
                   -1 :              -0.00006461171863
                   +0 :               0.00039855617870
                   +1 :              -0.00009466842220
                   +2 :              -0.00024893331805
              5 vec=    10.373550     -2.752623      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00022229384906
                2p
                   -1 :               0.00004756228403
                   +0 :              -0.00012379032594
                   +1 :              -0.00005347098532
                3s
                   +0 :               0.00006853808945
                4s
                   +0 :               0.00008473725103
                3p
                   -1 :              -0.00029076192154
                   +0 :               0.00074706480664
                   +1 :              -0.00051340967648
                4p
                   -1 :               0.00002689095271
                   +0 :              -0.00008190974599
                   +1 :               0.00024099602423
                3d
                   -2 :               0.00001663280815
                   -1 :              -0.00016068333308
                   +0 :               0.00027342936092
                   +1 :               0.00011201891324
                   +2 :              -0.00020038634514
              6 vec=     2.593388     10.723014      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00037895531722
                2p
                   -1 :               0.00019820293814
                   +0 :               0.00010270499956
                   +1 :               0.00006577560724
                3s
                   +0 :              -0.00090646273957
                4s
                   +0 :               0.00037229456710
                3p
                   -1 :              -0.00115994988330
                   +0 :              -0.00039895202036
                   +1 :              -0.00049578051243
                4p
                   -1 :               0.00020119029262
                   +0 :               0.00015407109520
                   +1 :               0.00004489330888
                3d
                   -2 :              -0.00007840104004
                   -1 :              -0.00015690146443
                   +0 :               0.00010258381751
                   +1 :               0.00001472560665
                   +2 :               0.00012742031950
              7 vec=    10.373550      6.231135      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00009239721093
                2p
                   -1 :               0.00001834606257
                   +0 :               0.00007079141634
                   +1 :               0.00000682571193
                3s
                   +0 :               0.00009760322214
                4s
                   +0 :               0.00012461208709
                3p
                   -1 :               0.00005673543033
                   +0 :              -0.00051997725343
                   +1 :               0.00018510475966
                4p
                   -1 :              -0.00002036243351
                   +0 :               0.00010534773723
                   +1 :               0.00006438405958
                3d
                   -2 :               0.00006718040530
                   -1 :              -0.00009180547691
                   +0 :               0.00004963240125
                   +1 :              -0.00003812647396
                   +2 :               0.00003003306329
              8 vec=    -5.186775    -11.736381      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00019228649802
                2p
                   -1 :              -0.00002747194014
                   +0 :              -0.00002361250494
                   +1 :              -0.00004611167601
                3s
                   +0 :              -0.00081363400884
                4s
                   +0 :               0.00026161515283
                3p
                   -1 :               0.00009104746043
                   +0 :               0.00013079494629
                   +1 :               0.00036043474133
                4p
                   -1 :              -0.00002382096429
                   +0 :               0.00003466926430
                   +1 :              -0.00006373110608
                3d
                   -2 :              -0.00000850981256
                   -1 :              -0.00001277232838
                   +0 :              -0.00013504589372
                   +1 :               0.00001033001415
                   +2 :              -0.00013419624034
              9 vec=   -12.966938      1.739256      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00003374674757
                2p
                   -1 :               0.00003935284435
                   +0 :              -0.00000147076151
                   +1 :              -0.00001650695527
                3s
                   +0 :              -0.00017061456047
                4s
                   +0 :              -0.00008933922599
                3p
                   -1 :              -0.00009318975930
                   +0 :               0.00011646926110
                   +1 :               0.00022245283859
                4p
                   -1 :              -0.00001476290348
                   +0 :              -0.00004587814501
                   +1 :              -0.00001115328497
                3d
                   -2 :               0.00002860312316
                   -1 :               0.00002500789995
                   +0 :              -0.00000280544073
                   +1 :              -0.00001237528799
                   +2 :              -0.00001816784156
             10 vec=   -12.966938     -7.244502      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00006286755218
                2p
                   -1 :              -0.00000563407281
                   +0 :              -0.00003040048359
                   +1 :               0.00001236259480
                3s
                   +0 :               0.00002653810106
                4s
                   +0 :              -0.00000698120884
                3p
                   -1 :               0.00010377648204
                   +0 :               0.00010640727730
                   +1 :              -0.00004532433398
                4p
                   -1 :              -0.00004205115052
                   +0 :              -0.00003090448016
                   +1 :              -0.00001958907523
                3d
                   -2 :               0.00000992567220
                   -1 :              -0.00001409410079
                   +0 :               0.00000032711618
                   +1 :              -0.00000472580256
                   +2 :               0.00001357788938
             11 vec=    10.373550    -11.736381      6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00003935879444
                2p
                   -1 :              -0.00001173291617
                   +0 :               0.00003486160418
                   +1 :               0.00001197073901
                3s
                   +0 :              -0.00032934003581
                4s
                   +0 :               0.00011612048005
                3p
                   -1 :               0.00005174352580
                   +0 :              -0.00017930734183
                   +1 :              -0.00010820810369
                4p
                   -1 :              -0.00003491877145
                   +0 :               0.00004071524264
                   +1 :               0.00004912170723
                3d
                   -2 :              -0.00000927125987
                   -1 :               0.00003270503440
                   +0 :              -0.00002410456669
                   +1 :              -0.00002311946842
                   +2 :              -0.00002472109998
             12 vec=    -5.186775     15.214893      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00005976096606
                2p
                   -1 :               0.00000178226544
                   +0 :              -0.00004444086988
                   +1 :              -0.00003483803783
                3s
                   +0 :               0.00047005291065
                4s
                   +0 :              -0.00007861293684
                3p
                   -1 :               0.00007716120596
                   +0 :               0.00024952157417
                   +1 :               0.00016079023853
                4p
                   -1 :               0.00000419769191
                   +0 :              -0.00004057171519
                   +1 :              -0.00004666622634
                3d
                   -2 :               0.00003619131613
                   -1 :               0.00005513035285
                   +0 :               0.00005024473014
                   +1 :              -0.00000673803829
                   +2 :              -0.00001852294668
             13 vec=     2.593388    -16.228260      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00001593391591
                2p
                   -1 :               0.00002807083610
                   +0 :               0.00002539817547
                   +1 :               0.00001934563248
                3s
                   +0 :               0.00013861467007
                4s
                   +0 :              -0.00010398676344
                3p
                   -1 :              -0.00017120349230
                   +0 :              -0.00002822546254
                   +1 :              -0.00004302519185
                4p
                   -1 :               0.00007989037824
                   +0 :              -0.00000958948377
                   +1 :               0.00002854903696
                3d
                   -2 :               0.00000632297103
                   -1 :               0.00002845367869
                   +0 :               0.00001375513511
                   +1 :               0.00003614052579
                   +2 :              -0.00002264797063
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 13)  npairs=  12
              1 vec=     2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00177485963362
                2s
                   +0 :              -0.00903474841238
                3s
                   +0 :               0.00246336586044
                2p
                   -1 :              -0.00138298469831
                   +0 :              -0.01072007605231
                   +1 :               0.00154213974049
                3p
                   -1 :              -0.00074052381137
                   +0 :              -0.00107330808607
                   +1 :               0.00052441348820
                3d
                   -2 :               0.00027167132692
                   -1 :               0.00167996765707
                   +0 :              -0.00052648521407
                   +1 :              -0.00177172051394
                   +2 :              -0.00028098809796
              2 vec=    -5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00159539345712
                2s
                   +0 :               0.00902529479060
                3s
                   +0 :              -0.00477198696294
                2p
                   -1 :              -0.00038510992923
                   +0 :              -0.00282121686331
                   +1 :              -0.01146709101292
                3p
                   -1 :              -0.00042484275546
                   +0 :              -0.00291875405702
                   +1 :               0.00648913773911
                3d
                   -2 :              -0.00016618174978
                   -1 :               0.00023077199454
                   +0 :               0.00025288022554
                   +1 :               0.00064945798969
                   +2 :              -0.00020158781201
              3 vec=     2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00099584734154
                2s
                   +0 :              -0.00403362605611
                3s
                   +0 :               0.00306705000977
                2p
                   -1 :              -0.00559839932410
                   +0 :              -0.00742083064245
                   +1 :               0.00247094727310
                3p
                   -1 :               0.00565995000627
                   +0 :               0.00082189501217
                   +1 :              -0.00137297554057
                3d
                   -2 :               0.00021330227668
                   -1 :              -0.00115083545947
                   +0 :              -0.00069818386966
                   +1 :              -0.00025526724288
                   +2 :              -0.00051393380115
              4 vec=    -5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00000200103479
                2s
                   +0 :               0.00005348688664
                3s
                   +0 :              -0.00013626092311
                2p
                   -1 :              -0.00110778261313
                   +0 :              -0.00001047013721
                   +1 :               0.00042391193656
                3p
                   -1 :               0.00119376878468
                   +0 :               0.00014257089663
                   +1 :              -0.00043379387245
                3d
                   -2 :              -0.00006324575510
                   -1 :              -0.00000466365745
                   +0 :               0.00003718596947
                   +1 :              -0.00003543907643
                   +2 :               0.00010314174683
              5 vec=    10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00007604554620
                2s
                   +0 :              -0.00118622979568
                3s
                   +0 :               0.00013315425096
                2p
                   -1 :               0.00008505693255
                   +0 :               0.00057382100902
                   +1 :              -0.00188550361609
                3p
                   -1 :              -0.00030139540070
                   +0 :              -0.00063758721478
                   +1 :               0.00118524493645
                3d
                   -2 :              -0.00010825751008
                   -1 :              -0.00007603440899
                   +0 :              -0.00011974681910
                   +1 :              -0.00006149936537
                   +2 :               0.00004164635318
              6 vec=    -5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00002267291654
                2s
                   +0 :               0.00052634318032
                3s
                   +0 :               0.00021096970029
                2p
                   -1 :               0.00035433539829
                   +0 :              -0.00052715669424
                   +1 :              -0.00035076725589
                3p
                   -1 :               0.00021933121696
                   +0 :              -0.00006115877553
                   +1 :              -0.00028194066423
                3d
                   -2 :              -0.00008529232911
                   -1 :              -0.00000528768062
                   +0 :              -0.00001387725538
                   +1 :               0.00001639858587
                   +2 :               0.00000507965088
              7 vec=     2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00007117417817
                2s
                   +0 :               0.00061952533588
                3s
                   +0 :              -0.00016501722971
                2p
                   -1 :              -0.00020211492254
                   +0 :              -0.00012302445237
                   +1 :               0.00057465215791
                3p
                   -1 :               0.00015358603781
                   +0 :               0.00033322469582
                   +1 :              -0.00046651675484
                3d
                   -2 :               0.00000430908839
                   -1 :              -0.00003682188076
                   +0 :               0.00000379794366
                   +1 :               0.00000248372433
                   +2 :              -0.00001473340824
              8 vec=    10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00002393890149
                2s
                   +0 :              -0.00019345142478
                3s
                   +0 :              -0.00005295579545
                2p
                   -1 :              -0.00004398957037
                   +0 :               0.00025364125502
                   +1 :               0.00016887685209
                3p
                   -1 :               0.00010225561832
                   +0 :              -0.00010766039440
                   +1 :              -0.00013772318749
                3d
                   -2 :              -0.00001053765818
                   -1 :              -0.00001063334140
                   +0 :               0.00003976076148
                   +1 :              -0.00002663691957
                   +2 :               0.00000224148229
              9 vec=   -13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00003350526721
                2s
                   +0 :              -0.00052351745496
                3s
                   +0 :               0.00004177951039
                2p
                   -1 :              -0.00026343417840
                   +0 :               0.00014728638256
                   +1 :               0.00009461503171
                3p
                   -1 :               0.00014578518376
                   +0 :              -0.00020171141155
                   +1 :               0.00014267181683
                3d
                   -2 :               0.00000029894112
                   -1 :              -0.00000077786732
                   +0 :               0.00000842907517
                   +1 :               0.00000633439860
                   +2 :              -0.00002607643903
             10 vec=    10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00000343913644
                2s
                   +0 :              -0.00002186094365
                3s
                   +0 :              -0.00001533956167
                2p
                   -1 :               0.00017382039155
                   +0 :               0.00003578607486
                   +1 :               0.00003543006137
                3p
                   -1 :              -0.00024775403816
                   +0 :              -0.00012356651103
                   +1 :               0.00002408386259
                3d
                   -2 :              -0.00001199883081
                   -1 :              -0.00001332743179
                   +0 :               0.00001754524661
                   +1 :               0.00000091465400
                   +2 :               0.00002936642533
             11 vec=   -13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00003672831013
                2s
                   +0 :              -0.00028008376649
                3s
                   +0 :               0.00011543052228
                2p
                   -1 :               0.00014302572594
                   +0 :              -0.00021587144675
                   +1 :               0.00021587124333
                3p
                   -1 :              -0.00007987402888
                   +0 :               0.00009157238087
                   +1 :              -0.00023617200276
                3d
                   -2 :              -0.00000265574724
                   -1 :              -0.00000427036875
                   +0 :              -0.00001481311832
                   +1 :              -0.00000254831827
                   +2 :               0.00001041518441
             12 vec=     2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00002010830420
                2s
                   +0 :               0.00031434517782
                3s
                   +0 :              -0.00002918696414
                2p
                   -1 :               0.00009208389064
                   +0 :              -0.00003518542836
                   +1 :               0.00006778716351
                3p
                   -1 :               0.00012225103967
                   +0 :              -0.00008361476264
                   +1 :              -0.00003068856167
                3d
                   -2 :               0.00001724807143
                   -1 :               0.00000264673003
                   +0 :              -0.00001425207866
                   +1 :               0.00000291689548
                   +2 :              -0.00000277177826
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 14)  npairs=  12
              1 vec=    -2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00137384314136
                2s
                   +0 :              -0.00390556049808
                3s
                   +0 :               0.00197473811318
                2p
                   -1 :              -0.00325178995213
                   +0 :              -0.00959918560204
                   +1 :              -0.00036723097974
                3p
                   -1 :              -0.00214065286858
                   +0 :              -0.00225765176997
                   +1 :              -0.00320629365027
                3d
                   -2 :               0.00018194763762
                   -1 :               0.00197531522332
                   +0 :              -0.00062827769275
                   +1 :               0.00200355403978
                   +2 :              -0.00065965699944
              2 vec=    -2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00193087289053
                2s
                   +0 :               0.01147825901857
                3s
                   +0 :              -0.00450862888308
                2p
                   -1 :               0.01000326346235
                   +0 :              -0.00640033309947
                   +1 :              -0.00137986663409
                3p
                   -1 :              -0.00538040073175
                   +0 :               0.00002987197309
                   +1 :              -0.00014983690842
                3d
                   -2 :              -0.00012346876399
                   -1 :              -0.00105455657511
                   +0 :               0.00024168696955
                   +1 :               0.00029529718454
                   +2 :               0.00028266313389
              3 vec=     5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00222486636647
                2s
                   +0 :              -0.01526721703398
                3s
                   +0 :               0.00599507952400
                2p
                   -1 :              -0.00009156261894
                   +0 :              -0.00213516992689
                   +1 :              -0.00652518591826
                3p
                   -1 :              -0.00071699716351
                   +0 :              -0.00354960496249
                   +1 :               0.00361941312869
                3d
                   -2 :              -0.00037222746156
                   -1 :               0.00025558112562
                   +0 :              -0.00036578436601
                   +1 :              -0.00072419658346
                   +2 :               0.00010569449143
              4 vec=   -10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00011295423952
                2s
                   +0 :              -0.00004424422095
                3s
                   +0 :               0.00056849684703
                2p
                   -1 :              -0.00018108857065
                   +0 :               0.00012675909089
                   +1 :              -0.00046630684626
                3p
                   -1 :               0.00002047091841
                   +0 :              -0.00045102867973
                   +1 :              -0.00020486646293
                3d
                   -2 :              -0.00001306438537
                   -1 :              -0.00006784049518
                   +0 :               0.00007954830444
                   +1 :               0.00004353499656
                   +2 :               0.00006723529368
              5 vec=     5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00008271093655
                2s
                   +0 :              -0.00141420604413
                3s
                   +0 :              -0.00009998941264
                2p
                   -1 :               0.00136482490121
                   +0 :               0.00060524447760
                   +1 :              -0.00028429573026
                3p
                   -1 :              -0.00040295292810
                   +0 :              -0.00029518515100
                   +1 :              -0.00009228349274
                3d
                   -2 :               0.00006688033402
                   -1 :              -0.00002028797387
                   +0 :               0.00013332281279
                   +1 :               0.00002267898320
                   +2 :              -0.00002109607085
              6 vec=     5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00028750867654
                2s
                   +0 :               0.00197099709778
                3s
                   +0 :              -0.00070648935150
                2p
                   -1 :               0.00138403486801
                   +0 :               0.00008186703465
                   +1 :               0.00121540893747
                3p
                   -1 :              -0.00082377984544
                   +0 :              -0.00058225211243
                   +1 :              -0.00055050558909
                3d
                   -2 :              -0.00003542280000
                   -1 :              -0.00003693700626
                   +0 :              -0.00001659753549
                   +1 :               0.00001694044794
                   +2 :              -0.00000960009237
              7 vec=   -10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00001480647630
                2s
                   +0 :               0.00010023369650
                3s
                   +0 :              -0.00007095442085
                2p
                   -1 :              -0.00003006738308
                   +0 :              -0.00017826238617
                   +1 :              -0.00063072128155
                3p
                   -1 :               0.00004397636294
                   +0 :               0.00018711191566
                   +1 :               0.00045233997740
                3d
                   -2 :               0.00001508520214
                   -1 :              -0.00001470907605
                   +0 :               0.00003494796297
                   +1 :              -0.00003922411098
                   +2 :              -0.00001879628943
              8 vec=    -2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00011078794182
                2s
                   +0 :               0.00092935373809
                3s
                   +0 :              -0.00017947893354
                2p
                   -1 :              -0.00012579417293
                   +0 :               0.00003097830230
                   +1 :              -0.00035801388331
                3p
                   -1 :              -0.00005880606146
                   +0 :               0.00038079403008
                   +1 :               0.00048629739337
                3d
                   -2 :              -0.00003288345566
                   -1 :              -0.00004734120128
                   +0 :               0.00003340078542
                   +1 :               0.00006017300087
                   +2 :              -0.00004166752194
              9 vec=   -10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00002570080655
                2s
                   +0 :               0.00016850904220
                3s
                   +0 :              -0.00006784430184
                2p
                   -1 :              -0.00006292893674
                   +0 :               0.00000973162901
                   +1 :              -0.00015846539298
                3p
                   -1 :               0.00001611295645
                   +0 :              -0.00011842210922
                   +1 :               0.00003814109608
                3d
                   -2 :               0.00000789654219
                   -1 :              -0.00000827961566
                   +0 :              -0.00001496507829
                   +1 :               0.00000300268540
                   +2 :               0.00000229404215
             10 vec=    13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00014840290192
                2s
                   +0 :              -0.00126202994623
                3s
                   +0 :               0.00026858441143
                2p
                   -1 :               0.00014084821596
                   +0 :               0.00016272351252
                   +1 :              -0.00067537194140
                3p
                   -1 :              -0.00007155909022
                   +0 :              -0.00021816986968
                   +1 :               0.00023413115865
                3d
                   -2 :               0.00001365186805
                   -1 :               0.00001338651837
                   +0 :              -0.00000690441222
                   +1 :              -0.00001934922589
                   +2 :              -0.00000105098948
             11 vec=    -2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00003690564671
                2s
                   +0 :               0.00032169310015
                3s
                   +0 :              -0.00003959625879
                2p
                   -1 :               0.00017795472961
                   +0 :              -0.00007097957337
                   +1 :              -0.00009134540192
                3p
                   -1 :               0.00000172096950
                   +0 :              -0.00006729222322
                   +1 :               0.00007918691200
                3d
                   -2 :              -0.00000320025293
                   -1 :               0.00000104656210
                   +0 :              -0.00001485613684
                   +1 :               0.00000146256263
                   +2 :              -0.00001717415680
             12 vec=    13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00000111545162
                2s
                   +0 :              -0.00006701712176
                3s
                   +0 :              -0.00008554291007
                2p
                   -1 :              -0.00016674793502
                   +0 :              -0.00010813559136
                   +1 :               0.00036421915567
                3p
                   -1 :               0.00006719432935
                   +0 :               0.00001078941003
                   +1 :              -0.00029768139823
                3d
                   -2 :               0.00000054592853
                   -1 :               0.00001963855719
                   +0 :               0.00002656271057
                   +1 :              -0.00000875068860
                   +2 :              -0.00001385764655
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 15)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00434614198645
                2s
                   +0 :               0.05850856504506
                3s
                   +0 :              -0.00622624650096
                2p
                   -1 :               0.02275872260026
                   +0 :               0.90304062187087
                   +1 :              -0.03486224797357
                3p
                   -1 :              -0.00671144488452
                   +0 :              -0.04423383564079
                   +1 :               0.01336833728601
                3d
                   -2 :               0.00228499738731
                   -1 :              -0.00082697833308
                   +0 :               0.00204537396532
                   +1 :              -0.00046286937337
                   +2 :              -0.00114166043081
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00023541130526
                2s
                   +0 :              -0.00218816954144
                3s
                   +0 :               0.00038564771897
                2p
                   -1 :               0.00070670788988
                   +0 :               0.00048417956497
                   +1 :               0.00164554326402
                3p
                   -1 :              -0.00045776302771
                   +0 :               0.00009266550797
                   +1 :              -0.00082664233486
                3d
                   -2 :              -0.00003556858421
                   -1 :              -0.00004046496036
                   +0 :               0.00004866373412
                   +1 :              -0.00015306690275
                   +2 :              -0.00010295310540
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00007381676015
                2s
                   +0 :               0.00068988719056
                3s
                   +0 :              -0.00053232173611
                2p
                   -1 :              -0.00032198069478
                   +0 :               0.00029465894416
                   +1 :              -0.00099182074607
                3p
                   -1 :               0.00017273791693
                   +0 :              -0.00040773522414
                   +1 :               0.00110358566505
                3d
                   -2 :               0.00013436343133
                   -1 :              -0.00004037054300
                   +0 :              -0.00000085986609
                   +1 :               0.00004926158069
                   +2 :              -0.00012753964255
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008644671294
                2s
                   +0 :              -0.00078096131593
                3s
                   +0 :               0.00025602885108
                2p
                   -1 :               0.00188402530424
                   +0 :              -0.00030114590171
                   +1 :              -0.00157967568448
                3p
                   -1 :              -0.00086275427807
                   +0 :               0.00117653735918
                   +1 :               0.00166047909400
                3d
                   -2 :              -0.00006693663073
                   -1 :              -0.00015365042296
                   +0 :               0.00008593547983
                   +1 :               0.00001647562440
                   +2 :              -0.00000439841000
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00012912438254
                2s
                   +0 :               0.00154687440352
                3s
                   +0 :              -0.00015283394201
                2p
                   -1 :               0.00040233054029
                   +0 :               0.00037985682121
                   +1 :               0.00008547441633
                3p
                   -1 :              -0.00013071462975
                   +0 :              -0.00022694911034
                   +1 :               0.00005865452412
                3d
                   -2 :               0.00001122496333
                   -1 :               0.00005093728291
                   +0 :               0.00003513022388
                   +1 :              -0.00006753015050
                   +2 :               0.00005017052226
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00013015030261
                2s
                   +0 :              -0.00185444561912
                3s
                   +0 :              -0.00021421958612
                2p
                   -1 :               0.00031613192465
                   +0 :               0.00007793546036
                   +1 :               0.00015862123062
                3p
                   -1 :              -0.00008700780618
                   +0 :               0.00031755913659
                   +1 :              -0.00086302680468
                3d
                   -2 :              -0.00008397079956
                   -1 :              -0.00000861674020
                   +0 :               0.00003093008261
                   +1 :               0.00019710448339
                   +2 :              -0.00013540044307
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00036923180724
                2s
                   +0 :              -0.00256581276923
                3s
                   +0 :               0.00149697149807
                2p
                   -1 :              -0.00223472505486
                   +0 :               0.00070243051824
                   +1 :              -0.00170332930085
                3p
                   -1 :               0.00170373982016
                   +0 :              -0.00052231700974
                   +1 :               0.00194342977755
                3d
                   -2 :               0.00019379145633
                   -1 :              -0.00010677880936
                   +0 :              -0.00005842423542
                   +1 :              -0.00008394852508
                   +2 :               0.00007850292363
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001779662315
                2s
                   +0 :               0.00009040061668
                3s
                   +0 :              -0.00003596668364
                2p
                   -1 :              -0.00022930606705
                   +0 :              -0.00016506406597
                   +1 :              -0.00011190762842
                3p
                   -1 :               0.00014612457867
                   +0 :               0.00004490579555
                   +1 :              -0.00002041995567
                3d
                   -2 :              -0.00000812851376
                   -1 :               0.00000332744964
                   +0 :              -0.00000734313138
                   +1 :              -0.00000078748040
                   +2 :               0.00001516939246
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000239322962
                2s
                   +0 :               0.00002395561236
                3s
                   +0 :               0.00006113380318
                2p
                   -1 :               0.00028865179962
                   +0 :               0.00013180824355
                   +1 :               0.00002278364097
                3p
                   -1 :              -0.00025072319944
                   +0 :               0.00006002028120
                   +1 :              -0.00016269361553
                3d
                   -2 :               0.00001206266041
                   -1 :              -0.00000368397971
                   +0 :               0.00000167204649
                   +1 :              -0.00002620792256
                   +2 :               0.00001937304081
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004997786414
                2s
                   +0 :               0.00047423441624
                3s
                   +0 :              -0.00007466283408
                2p
                   -1 :               0.00016672571027
                   +0 :               0.00002932811667
                   +1 :              -0.00007022115889
                3p
                   -1 :               0.00000588472228
                   +0 :              -0.00002804051158
                   +1 :              -0.00004519991417
                3d
                   -2 :              -0.00000916731471
                   -1 :               0.00000354534876
                   +0 :              -0.00000446556352
                   +1 :              -0.00000295594509
                   +2 :              -0.00000261648827
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005328074611
                2s
                   +0 :              -0.00045723433223
                3s
                   +0 :               0.00009483763437
                2p
                   -1 :               0.00021272111142
                   +0 :               0.00012002285791
                   +1 :              -0.00008644239309
                3p
                   -1 :               0.00005683944826
                   +0 :               0.00000920552157
                   +1 :               0.00004919036928
                3d
                   -2 :               0.00001705780025
                   -1 :               0.00001026489597
                   +0 :               0.00001202240803
                   +1 :               0.00001484446865
                   +2 :               0.00002171105321
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000315009479
                2s
                   +0 :               0.00021002983797
                3s
                   +0 :               0.00001183447516
                2p
                   -1 :               0.00019388117045
                   +0 :               0.00014168553350
                   +1 :               0.00006579370269
                3p
                   -1 :              -0.00007300965252
                   +0 :              -0.00013447344759
                   +1 :               0.00000298247373
                3d
                   -2 :               0.00000451594815
                   -1 :              -0.00001143449754
                   +0 :               0.00001401389231
                   +1 :              -0.00001153935908
                   +2 :               0.00000484085292
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003194067568
                2s
                   +0 :              -0.00037996962643
                3s
                   +0 :               0.00000220362003
                2p
                   -1 :              -0.00000405429688
                   +0 :              -0.00008871642543
                   +1 :               0.00001797136455
                3p
                   -1 :              -0.00001316082604
                   +0 :              -0.00002182092021
                   +1 :              -0.00015975753168
                3d
                   -2 :              -0.00000285503275
                   -1 :              -0.00000690093487
                   +0 :               0.00000980767319
                   +1 :               0.00000141978670
                   +2 :              -0.00003564229719
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001675838316
                2s
                   +0 :              -0.00013250564473
                3s
                   +0 :               0.00005182974705
                2p
                   -1 :               0.00008714228329
                   +0 :              -0.00001230104291
                   +1 :               0.00004395753318
                3p
                   -1 :              -0.00003974439276
                   +0 :               0.00002899644880
                   +1 :              -0.00003180709288
                3d
                   -2 :               0.00000308039651
                   -1 :              -0.00000120340023
                   +0 :              -0.00000504828607
                   +1 :               0.00000113219420
                   +2 :               0.00000303196744
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000285479155
                2s
                   +0 :               0.00002619494709
                3s
                   +0 :              -0.00001371906946
                2p
                   -1 :              -0.00000934172443
                   +0 :              -0.00003734612335
                   +1 :              -0.00005985649023
                3p
                   -1 :               0.00001034147843
                   +0 :               0.00001141280665
                   +1 :               0.00003413750223
                3d
                   -2 :               0.00000057852367
                   -1 :               0.00000216331522
                   +0 :               0.00000064899390
                   +1 :               0.00000158245293
                   +2 :               0.00000024391418
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00004195458721
                2s
                   +0 :               0.00034769117756
                3s
                   +0 :              -0.00009662879494
                2p
                   -1 :               0.00002462509001
                   +0 :               0.00001100438676
                   +1 :               0.00008918454403
                3p
                   -1 :              -0.00007867085196
                   +0 :               0.00003230405323
                   +1 :              -0.00005928988599
                3d
                   -2 :               0.00000240145250
                   -1 :               0.00000011756225
                   +0 :               0.00000668809499
                   +1 :              -0.00000366831165
                   +2 :               0.00000656626060
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001898328418
                2s
                   +0 :               0.00019711078936
                3s
                   +0 :              -0.00001779960861
                2p
                   -1 :               0.00004447885774
                   +0 :               0.00002027150719
                   +1 :              -0.00001268046637
                3p
                   -1 :               0.00001721991051
                   +0 :              -0.00002272467719
                   +1 :               0.00000069739018
                3d
                   -2 :              -0.00000074172810
                   -1 :               0.00000232947913
                   +0 :               0.00000069146334
                   +1 :              -0.00000559679832
                   +2 :               0.00000137170999
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002037496068
                2s
                   +0 :              -0.00020473945731
                3s
                   +0 :               0.00004019968161
                2p
                   -1 :               0.00010728692599
                   +0 :               0.00000513087728
                   +1 :              -0.00006365709088
                3p
                   -1 :              -0.00002079858465
                   +0 :              -0.00000932579823
                   +1 :               0.00002388141194
                3d
                   -2 :               0.00000052854443
                   -1 :               0.00000169654621
                   +0 :              -0.00000044534810
                   +1 :               0.00000133098702
                   +2 :               0.00000469519635
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000201957251
                2s
                   +0 :              -0.00003564181525
                3s
                   +0 :               0.00000019474968
                2p
                   -1 :              -0.00001648004277
                   +0 :               0.00001455857768
                   +1 :               0.00002041853864
                3p
                   -1 :               0.00000991336531
                   +0 :              -0.00002102579850
                   +1 :              -0.00001447984753
                3d
                   -2 :              -0.00000403854562
                   -1 :               0.00000377438960
                   +0 :              -0.00000286784415
                   +1 :               0.00000071473739
                   +2 :              -0.00000517912533
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 16)  npairs=  14
              1 vec=    -2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00001404912867
                2s
                   +0 :              -0.00042906617070
                3s
                   +0 :              -0.00007930979808
                2p
                   -1 :               0.00040499882969
                   +0 :               0.00017116146498
                   +1 :              -0.00114494897196
                3p
                   -1 :              -0.00014082120091
                   +0 :              -0.00008877824263
                   +1 :               0.00062530907458
                3d
                   -2 :               0.00003717597020
                   -1 :              -0.00001339047278
                   +0 :               0.00003393126062
                   +1 :              -0.00000443190154
                   +2 :              -0.00006164032334
              2 vec=    -2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00012177972611
                2s
                   +0 :              -0.00036916708701
                3s
                   +0 :               0.00047119988316
                2p
                   -1 :               0.00007377958477
                   +0 :              -0.00080651849607
                   +1 :               0.00067359936840
                3p
                   -1 :              -0.00017927967528
                   +0 :               0.00081601271021
                   +1 :              -0.00062465210760
                3d
                   -2 :               0.00000106498840
                   -1 :              -0.00000573771364
                   +0 :               0.00000688746973
                   +1 :              -0.00005304547232
                   +2 :               0.00000178045926
              3 vec=     5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00028129303396
                2s
                   +0 :              -0.00291767975454
                3s
                   +0 :               0.00043958700975
                2p
                   -1 :              -0.00088192794362
                   +0 :               0.00138582077227
                   +1 :              -0.00051374721197
                3p
                   -1 :               0.00040552495025
                   +0 :              -0.00019556865757
                   +1 :               0.00031166353834
                3d
                   -2 :              -0.00000370951464
                   -1 :               0.00003199313744
                   +0 :              -0.00008369744755
                   +1 :               0.00000723231408
                   +2 :               0.00005708419721
              4 vec=     5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00016496303212
                2s
                   +0 :               0.00210228826856
                3s
                   +0 :              -0.00022742162071
                2p
                   -1 :              -0.00003649157142
                   +0 :               0.00138249314341
                   +1 :               0.00042199350318
                3p
                   -1 :               0.00029269859034
                   +0 :              -0.00012835999013
                   +1 :              -0.00015349057776
                3d
                   -2 :              -0.00001132807926
                   -1 :               0.00006282793204
                   +0 :               0.00002829914621
                   +1 :               0.00000693823310
                   +2 :              -0.00004046880761
              5 vec=    -2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00010137980033
                2s
                   +0 :              -0.00113836383415
                3s
                   +0 :               0.00017161976700
                2p
                   -1 :              -0.00040061774571
                   +0 :               0.00047645023899
                   +1 :              -0.00036386693608
                3p
                   -1 :               0.00002360143203
                   +0 :              -0.00013320886998
                   +1 :               0.00011721301910
                3d
                   -2 :              -0.00001396760722
                   -1 :               0.00001397168945
                   +0 :              -0.00000002165556
                   +1 :               0.00000951646113
                   +2 :               0.00001249794535
              6 vec=    -2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00008878798924
                2s
                   +0 :               0.00073942072757
                3s
                   +0 :              -0.00016578984863
                2p
                   -1 :               0.00011405878409
                   +0 :               0.00020848323580
                   +1 :              -0.00006576461890
                3p
                   -1 :               0.00007893324912
                   +0 :              -0.00000448762865
                   +1 :               0.00017746097105
                3d
                   -2 :               0.00002602946428
                   -1 :               0.00001029205151
                   +0 :              -0.00002535661437
                   +1 :               0.00003959761007
                   +2 :              -0.00000258023535
              7 vec=     5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00005677201816
                2s
                   +0 :              -0.00052263344742
                3s
                   +0 :               0.00016531095646
                2p
                   -1 :               0.00015611739659
                   +0 :               0.00053613831370
                   +1 :              -0.00025159329882
                3p
                   -1 :               0.00005649082313
                   +0 :              -0.00035245430603
                   +1 :               0.00014334923943
                3d
                   -2 :              -0.00000538526270
                   -1 :              -0.00001113390924
                   +0 :               0.00001470333270
                   +1 :               0.00001452975246
                   +2 :              -0.00000424206256
              8 vec=     5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004257158182
                2s
                   +0 :               0.00049078109021
                3s
                   +0 :              -0.00004125621138
                2p
                   -1 :               0.00007925167999
                   +0 :              -0.00011839211836
                   +1 :               0.00040009847948
                3p
                   -1 :              -0.00014256066173
                   +0 :               0.00031498980645
                   +1 :              -0.00002289381815
                3d
                   -2 :              -0.00000344069104
                   -1 :              -0.00000500200008
                   +0 :               0.00002622673974
                   +1 :               0.00003113795646
                   +2 :               0.00002891405634
              9 vec=   -10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003740604475
                2s
                   +0 :              -0.00042325357559
                3s
                   +0 :               0.00005017926365
                2p
                   -1 :              -0.00006199869016
                   +0 :               0.00019121523294
                   +1 :               0.00017917359829
                3p
                   -1 :               0.00003499022110
                   +0 :              -0.00004456106906
                   +1 :              -0.00004177839582
                3d
                   -2 :              -0.00000515318768
                   -1 :              -0.00001174674266
                   +0 :              -0.00000108543195
                   +1 :              -0.00000744462392
                   +2 :               0.00000288993609
             10 vec=   -10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000150580789
                2s
                   +0 :               0.00008052706975
                3s
                   +0 :              -0.00000929699168
                2p
                   -1 :               0.00018675501438
                   +0 :              -0.00003875012816
                   +1 :              -0.00014661014038
                3p
                   -1 :              -0.00018997411203
                   +0 :               0.00006807953610
                   +1 :               0.00004590681819
                3d
                   -2 :               0.00001577659071
                   -1 :              -0.00001978825030
                   +0 :               0.00000748410181
                   +1 :              -0.00000144262697
                   +2 :               0.00001040762772
             11 vec=    -2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00014163925479
                2s
                   +0 :               0.00158986399691
                3s
                   +0 :              -0.00011738716560
                2p
                   -1 :              -0.00006676994600
                   +0 :              -0.00069492617963
                   +1 :              -0.00052112817006
                3p
                   -1 :              -0.00004683460524
                   +0 :               0.00004082253113
                   +1 :              -0.00001615762684
                3d
                   -2 :               0.00003575034946
                   -1 :               0.00002807865253
                   +0 :              -0.00000436205443
                   +1 :               0.00007095736652
                   +2 :               0.00001886432398
             12 vec=    -2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001787653046
                2s
                   +0 :              -0.00019146430671
                3s
                   +0 :               0.00000906317849
                2p
                   -1 :              -0.00015879873019
                   +0 :               0.00001799293032
                   +1 :               0.00002778119774
                3p
                   -1 :               0.00006982681828
                   +0 :              -0.00004985060359
                   +1 :              -0.00005615520792
                3d
                   -2 :              -0.00000179083511
                   -1 :               0.00000129175287
                   +0 :               0.00000747982103
                   +1 :              -0.00000485303812
                   +2 :              -0.00000642858423
             13 vec=   -10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000644594750
                2s
                   +0 :               0.00002100975141
                3s
                   +0 :              -0.00003049915498
                2p
                   -1 :               0.00020575660409
                   +0 :              -0.00013008864708
                   +1 :              -0.00004360175679
                3p
                   -1 :              -0.00002197547127
                   +0 :               0.00005817991445
                   +1 :               0.00004991784643
                3d
                   -2 :              -0.00000464042592
                   -1 :               0.00000581242836
                   +0 :              -0.00000114183403
                   +1 :              -0.00000238647108
                   +2 :              -0.00000042985352
             14 vec=   -10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000505355911
                2s
                   +0 :              -0.00007874933914
                3s
                   +0 :              -0.00001639171736
                2p
                   -1 :              -0.00000286923807
                   +0 :              -0.00002062400823
                   +1 :              -0.00015138738593
                3p
                   -1 :               0.00000758798639
                   +0 :              -0.00002540947016
                   +1 :               0.00008027731968
                3d
                   -2 :               0.00000401749875
                   -1 :               0.00000814148635
                   +0 :              -0.00000060303869
                   +1 :               0.00000958520789
                   +2 :              -0.00000426441675
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 17)  npairs=  14
              1 vec=     2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004302776676
                2s
                   +0 :              -0.00036950958293
                3s
                   +0 :              -0.00035396980165
                2p
                   -1 :               0.00019579483654
                   +0 :              -0.00056879428086
                   +1 :               0.00114436131523
                3p
                   -1 :               0.00014145702644
                   +0 :               0.00075555046627
                   +1 :              -0.00078172234035
                3d
                   -2 :              -0.00000485588673
                   -1 :              -0.00001506310979
                   +0 :              -0.00000813365003
                   +1 :               0.00003005193212
                   +2 :              -0.00000911283252
              2 vec=     2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00004064094860
                2s
                   +0 :               0.00028658645882
                3s
                   +0 :               0.00012993109817
                2p
                   -1 :              -0.00019955136984
                   +0 :               0.00022523043152
                   +1 :              -0.00083729769477
                3p
                   -1 :               0.00020743863217
                   +0 :              -0.00018336266452
                   +1 :               0.00046800110420
                3d
                   -2 :               0.00003861291552
                   -1 :               0.00000031863997
                   +0 :              -0.00003339406630
                   +1 :               0.00000787318139
                   +2 :               0.00002662097402
              3 vec=    -5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013434148540
                2s
                   +0 :              -0.00173129120305
                3s
                   +0 :               0.00016687205175
                2p
                   -1 :              -0.00032434659015
                   +0 :               0.00086566654120
                   +1 :               0.00011955073659
                3p
                   -1 :              -0.00001904630842
                   +0 :               0.00001528416736
                   +1 :              -0.00006275529067
                3d
                   -2 :              -0.00000737819383
                   -1 :               0.00005752477395
                   +0 :              -0.00000858646311
                   +1 :              -0.00000181727873
                   +2 :               0.00004608936339
              4 vec=    -5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00018913944912
                2s
                   +0 :               0.00212811697510
                3s
                   +0 :              -0.00023449937584
                2p
                   -1 :               0.00057454945934
                   +0 :               0.00114601863326
                   +1 :              -0.00069242836529
                3p
                   -1 :              -0.00036061689338
                   +0 :               0.00010943531509
                   +1 :               0.00033833735652
                3d
                   -2 :              -0.00000002121551
                   -1 :               0.00001313295587
                   +0 :               0.00010824871287
                   +1 :              -0.00001283443047
                   +2 :              -0.00002966515313
              5 vec=    -5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001315707614
                2s
                   +0 :              -0.00019033062828
                3s
                   +0 :               0.00002266823659
                2p
                   -1 :               0.00036856437216
                   +0 :               0.00013514368254
                   +1 :               0.00017849584946
                3p
                   -1 :              -0.00009013416735
                   +0 :               0.00004345680533
                   +1 :              -0.00003354273107
                3d
                   -2 :               0.00000593206413
                   -1 :              -0.00000073945555
                   +0 :              -0.00001011460674
                   +1 :              -0.00002017512861
                   +2 :              -0.00001839876510
              6 vec=    -5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00001937044056
                2s
                   +0 :               0.00026855895954
                3s
                   +0 :              -0.00011052652126
                2p
                   -1 :               0.00006532495274
                   +0 :               0.00023270777317
                   +1 :              -0.00020951594432
                3p
                   -1 :               0.00001538575958
                   +0 :              -0.00021638516123
                   +1 :              -0.00010411926209
                3d
                   -2 :               0.00000140255387
                   -1 :               0.00000757391605
                   +0 :              -0.00002141496084
                   +1 :              -0.00003478839563
                   +2 :               0.00000665083297
              7 vec=     2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00008609515338
                2s
                   +0 :              -0.00077745635929
                3s
                   +0 :               0.00014906501698
                2p
                   -1 :              -0.00024947415230
                   +0 :               0.00009875244072
                   +1 :               0.00001233280701
                3p
                   -1 :               0.00000874575723
                   +0 :               0.00003965570218
                   +1 :               0.00013540232783
                3d
                   -2 :               0.00003256578377
                   -1 :               0.00000660625291
                   +0 :               0.00001251482799
                   +1 :              -0.00002945510853
                   +2 :               0.00000523935828
              8 vec=     2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00009225651173
                2s
                   +0 :               0.00117258272760
                3s
                   +0 :              -0.00012808150412
                2p
                   -1 :               0.00057001329406
                   +0 :               0.00056138922822
                   +1 :              -0.00059033471953
                3p
                   -1 :              -0.00011085854293
                   +0 :              -0.00012026836404
                   +1 :               0.00022069800854
                3d
                   -2 :              -0.00001109637624
                   -1 :               0.00002098502221
                   +0 :              -0.00000016867764
                   +1 :              -0.00001131578702
                   +2 :              -0.00000437572186
              9 vec=     2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00029308690235
                2s
                   +0 :               0.00296610485739
                3s
                   +0 :              -0.00048234135893
                2p
                   -1 :              -0.00038253509764
                   +0 :              -0.00133825988342
                   +1 :               0.00084935977251
                3p
                   -1 :               0.00011868788945
                   +0 :               0.00033997910930
                   +1 :              -0.00022498780375
                3d
                   -2 :              -0.00005290723287
                   -1 :               0.00002950950321
                   +0 :               0.00002307612808
                   +1 :              -0.00005813228690
                   +2 :               0.00001950450959
             10 vec=     2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002613296365
                2s
                   +0 :              -0.00027050045007
                3s
                   +0 :               0.00007031026305
                2p
                   -1 :              -0.00007459871616
                   +0 :              -0.00015799141984
                   +1 :               0.00017168246715
                3p
                   -1 :              -0.00001051625343
                   +0 :               0.00013576144825
                   +1 :              -0.00010505132139
                3d
                   -2 :              -0.00001058637951
                   -1 :              -0.00000425578259
                   +0 :               0.00002183906344
                   +1 :               0.00000012812550
                   +2 :              -0.00000305990829
             11 vec=    10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002603830081
                2s
                   +0 :              -0.00041265847659
                3s
                   +0 :               0.00000426470076
                2p
                   -1 :              -0.00017802872504
                   +0 :               0.00006958520291
                   +1 :              -0.00021588132564
                3p
                   -1 :               0.00011489803123
                   +0 :               0.00007854588409
                   +1 :               0.00006429600836
                3d
                   -2 :               0.00001569284704
                   -1 :              -0.00000109343800
                   +0 :              -0.00001483093398
                   +1 :               0.00000114078890
                   +2 :               0.00000014585852
             12 vec=    10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000053980445
                2s
                   +0 :               0.00003851338873
                3s
                   +0 :               0.00001504392210
                2p
                   -1 :               0.00006202805740
                   +0 :               0.00005953141072
                   +1 :               0.00014358878185
                3p
                   -1 :              -0.00004878705737
                   +0 :              -0.00000415104771
                   +1 :              -0.00001156055700
                3d
                   -2 :              -0.00000495175968
                   -1 :              -0.00000748265914
                   +0 :              -0.00000288543483
                   +1 :               0.00000203661637
                   +2 :               0.00000494418654
             13 vec=    10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000017655664
                2s
                   +0 :              -0.00009411008157
                3s
                   +0 :              -0.00002716627957
                2p
                   -1 :               0.00027213898533
                   +0 :               0.00001841707882
                   +1 :              -0.00008472343846
                3p
                   -1 :              -0.00009003845885
                   +0 :              -0.00000961421693
                   +1 :               0.00004041992085
                3d
                   -2 :               0.00000499549264
                   -1 :               0.00000478517079
                   +0 :              -0.00000649386807
                   +1 :              -0.00000562896003
                   +2 :               0.00000712098239
             14 vec=    10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000692770561
                2s
                   +0 :              -0.00001275608423
                3s
                   +0 :               0.00003113788676
                2p
                   -1 :              -0.00011284942726
                   +0 :              -0.00011679072148
                   +1 :               0.00008055251499
                3p
                   -1 :               0.00000340698624
                   +0 :               0.00006709503266
                   +1 :               0.00002220286840
                3d
                   -2 :              -0.00000886328410
                   -1 :               0.00000026907668
                   +0 :               0.00000349984872
                   +1 :               0.00001024865726
                   +2 :               0.00000329116914
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 18)  npairs=  18
              1 vec=     0.000000      3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00003193711793
                2s
                   +0 :              -0.00025413231398
                3s
                   +0 :              -0.00015000034739
                2p
                   -1 :               0.00048431566168
                   +0 :               0.00028919364549
                   +1 :               0.00015384275936
                3p
                   -1 :              -0.00042292715387
                   +0 :              -0.00011630787504
                   +1 :              -0.00011186869632
                3d
                   -2 :               0.00003243945877
                   -1 :               0.00003050898271
                   +0 :               0.00001663998326
                   +1 :              -0.00001795502542
                   +2 :               0.00002705398159
              2 vec=     0.000000      3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006016380658
                2s
                   +0 :               0.00000160640523
                3s
                   +0 :               0.00024584951271
                2p
                   -1 :              -0.00053770688495
                   +0 :               0.00024804072282
                   +1 :               0.00014649033044
                3p
                   -1 :               0.00036166646156
                   +0 :              -0.00011515414873
                   +1 :              -0.00017492368702
                3d
                   -2 :               0.00003913813335
                   -1 :               0.00002853622484
                   +0 :              -0.00002423207921
                   +1 :               0.00001546924161
                   +2 :              -0.00002365507528
              3 vec=     0.000000     -5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00005760061302
                2s
                   +0 :               0.00028647871508
                3s
                   +0 :              -0.00009955682389
                2p
                   -1 :               0.00084232408005
                   +0 :               0.00036745071616
                   +1 :               0.00018489361378
                3p
                   -1 :              -0.00004315333046
                   +0 :              -0.00014388491966
                   +1 :              -0.00016353811431
                3d
                   -2 :              -0.00001227632572
                   -1 :              -0.00003459538084
                   +0 :               0.00002236421675
                   +1 :               0.00000692667376
                   +2 :              -0.00002151276632
              4 vec=     0.000000     -5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00012069930814
                2s
                   +0 :               0.00146030313265
                3s
                   +0 :              -0.00018447502464
                2p
                   -1 :              -0.00005399123461
                   +0 :               0.00089174990714
                   +1 :               0.00003627703176
                3p
                   -1 :              -0.00010425099275
                   +0 :               0.00002524716738
                   +1 :              -0.00011042986599
                3d
                   -2 :              -0.00000620222268
                   -1 :              -0.00000706445521
                   +0 :               0.00001069598320
                   +1 :              -0.00001943850890
                   +2 :               0.00003426959641
              5 vec=    -7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00020717805137
                2s
                   +0 :              -0.00249686329376
                3s
                   +0 :               0.00035054370286
                2p
                   -1 :               0.00055922346036
                   +0 :               0.00134522916248
                   +1 :               0.00073657909640
                3p
                   -1 :              -0.00004005655726
                   +0 :              -0.00027016101085
                   +1 :              -0.00009440113361
                3d
                   -2 :              -0.00005449266099
                   -1 :              -0.00003803370072
                   +0 :              -0.00004459977480
                   +1 :              -0.00005217513459
                   +2 :              -0.00003071783208
              6 vec=    -7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002609277584
                2s
                   +0 :               0.00025489242530
                3s
                   +0 :              -0.00007634493984
                2p
                   -1 :              -0.00071495704216
                   +0 :               0.00009479701721
                   +1 :              -0.00015592895258
                3p
                   -1 :               0.00027773613566
                   +0 :               0.00002528429087
                   +1 :              -0.00004463877618
                3d
                   -2 :               0.00002156673663
                   -1 :              -0.00001530349811
                   +0 :              -0.00002265870726
                   +1 :              -0.00001898464983
                   +2 :               0.00000867396440
              7 vec=     7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00014316377396
                2s
                   +0 :              -0.00141424870462
                3s
                   +0 :               0.00020846981542
                2p
                   -1 :               0.00067616597193
                   +0 :               0.00057663466781
                   +1 :              -0.00031062112783
                3p
                   -1 :              -0.00021271126048
                   +0 :              -0.00001901111251
                   +1 :              -0.00006406670728
                3d
                   -2 :               0.00002850530262
                   -1 :              -0.00002746279712
                   +0 :              -0.00000285354434
                   +1 :               0.00005415475940
                   +2 :              -0.00002337586988
              8 vec=     7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00010820856285
                2s
                   +0 :               0.00161902760336
                3s
                   +0 :              -0.00019297441729
                2p
                   -1 :              -0.00063619106602
                   +0 :               0.00117644310149
                   +1 :               0.00069812094941
                3p
                   -1 :               0.00004417908653
                   +0 :              -0.00026344916673
                   +1 :              -0.00009353901268
                3d
                   -2 :              -0.00005229932816
                   -1 :              -0.00003452376964
                   +0 :               0.00001584579541
                   +1 :               0.00003665227838
                   +2 :               0.00000939145308
              9 vec=    -7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00004303390175
                2s
                   +0 :              -0.00043851512666
                3s
                   +0 :               0.00007639403151
                2p
                   -1 :              -0.00014832502200
                   +0 :               0.00005127388824
                   +1 :               0.00011270534711
                3p
                   -1 :              -0.00000042080732
                   +0 :               0.00001468355898
                   +1 :              -0.00000927345623
                3d
                   -2 :               0.00000401630023
                   -1 :               0.00000243630365
                   +0 :              -0.00000277092091
                   +1 :               0.00000570418522
                   +2 :               0.00000175376231
             10 vec=    -7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001554658428
                2s
                   +0 :               0.00019741584217
                3s
                   +0 :              -0.00001232165476
                2p
                   -1 :              -0.00010469191420
                   +0 :               0.00007109738288
                   +1 :              -0.00016279734333
                3p
                   -1 :               0.00016182537824
                   +0 :              -0.00000966121351
                   +1 :               0.00007257165126
                3d
                   -2 :              -0.00001107095800
                   -1 :               0.00001351319725
                   +0 :               0.00000084520762
                   +1 :               0.00000222351855
                   +2 :              -0.00000800444330
             11 vec=     7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00004313197574
                2s
                   +0 :              -0.00046782883185
                3s
                   +0 :               0.00005953855905
                2p
                   -1 :              -0.00001757408592
                   +0 :               0.00005096189525
                   +1 :              -0.00015171091457
                3p
                   -1 :              -0.00012376315378
                   +0 :              -0.00001037882646
                   +1 :               0.00005815182194
                3d
                   -2 :              -0.00001400111608
                   -1 :               0.00000824969698
                   +0 :               0.00000078692511
                   +1 :              -0.00000317297146
                   +2 :               0.00000743691479
             12 vec=     7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003347291189
                2s
                   +0 :               0.00033793500359
                3s
                   +0 :              -0.00009655849996
                2p
                   -1 :               0.00016632076965
                   +0 :               0.00009820322706
                   +1 :               0.00016077119988
                3p
                   -1 :              -0.00003180104454
                   +0 :              -0.00004184144307
                   +1 :              -0.00000325307528
                3d
                   -2 :              -0.00000303358674
                   -1 :               0.00000042681188
                   +0 :              -0.00000001592572
                   +1 :              -0.00000626183849
                   +2 :               0.00000378219492
             13 vec=     0.000000     12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002858583405
                2s
                   +0 :              -0.00028090165121
                3s
                   +0 :               0.00006477285272
                2p
                   -1 :              -0.00014694102275
                   +0 :               0.00000179693079
                   +1 :               0.00002814232913
                3p
                   -1 :               0.00002412848743
                   +0 :              -0.00000808625207
                   +1 :              -0.00003390996543
                3d
                   -2 :              -0.00000408743134
                   -1 :              -0.00000335680803
                   +0 :              -0.00000162153393
                   +1 :               0.00000040101945
                   +2 :               0.00000545700215
             14 vec=     0.000000     12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00004688114648
                2s
                   +0 :               0.00045810293708
                3s
                   +0 :              -0.00010027176887
                2p
                   -1 :               0.00019279656042
                   +0 :               0.00016620566580
                   +1 :               0.00008533335633
                3p
                   -1 :              -0.00003899004781
                   +0 :              -0.00007950946965
                   +1 :              -0.00009312559960
                3d
                   -2 :              -0.00000931223660
                   -1 :              -0.00000405162067
                   +0 :               0.00000182498579
                   +1 :              -0.00000488208211
                   +2 :              -0.00000520381975
             15 vec=    -7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00003966708321
                2s
                   +0 :               0.00047006523193
                3s
                   +0 :              -0.00002691903412
                2p
                   -1 :               0.00017111042269
                   +0 :              -0.00009838029532
                   +1 :              -0.00019486063302
                3p
                   -1 :              -0.00007165174032
                   +0 :              -0.00002123848524
                   +1 :              -0.00003411144442
                3d
                   -2 :               0.00000350462049
                   -1 :               0.00000746315480
                   +0 :               0.00001100832877
                   +1 :               0.00000211473145
                   +2 :               0.00001526223668
             16 vec=    -7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000980664015
                2s
                   +0 :              -0.00011513968423
                3s
                   +0 :              -0.00001710127197
                2p
                   -1 :               0.00001913423549
                   +0 :              -0.00000971612880
                   +1 :              -0.00003427368129
                3p
                   -1 :              -0.00002308441787
                   +0 :              -0.00003819976156
                   +1 :               0.00008826443150
                3d
                   -2 :              -0.00000777362404
                   -1 :               0.00000273628218
                   +0 :               0.00000635961342
                   +1 :               0.00001557341126
                   +2 :              -0.00000976661935
             17 vec=     7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00003039082035
                2s
                   +0 :               0.00033444678368
                3s
                   +0 :              -0.00002844196060
                2p
                   -1 :               0.00009227269043
                   +0 :               0.00000804465872
                   +1 :               0.00015807534523
                3p
                   -1 :               0.00002028188543
                   +0 :              -0.00001395486011
                   +1 :               0.00006213079020
                3d
                   -2 :              -0.00000417719124
                   -1 :               0.00000969700143
                   +0 :              -0.00000062969074
                   +1 :              -0.00000882850287
                   +2 :               0.00001925602124
             18 vec=     7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000101335929
                2s
                   +0 :              -0.00008011652287
                3s
                   +0 :              -0.00003990695236
                2p
                   -1 :              -0.00019070934629
                   +0 :              -0.00004772365006
                   +1 :              -0.00008309874128
                3p
                   -1 :               0.00010010504063
                   +0 :              -0.00002955475434
                   +1 :               0.00001347256645
                3d
                   -2 :              -0.00000197017492
                   -1 :               0.00000615281549
                   +0 :              -0.00000662791439
                   +1 :              -0.00000225445770
                   +2 :              -0.00000234575322
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 19)  npairs=  14
              1 vec=    -0.209286      0.362794      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00040848794710
                2s
                   +0 :               0.00104223280371
                3s
                   +0 :              -0.00144978934428
                2p
                   -1 :              -0.00158049839761
                   +0 :               0.00432673908942
                   +1 :              -0.00248521320717
                3p
                   -1 :               0.00056351189664
                   +0 :              -0.00404823811858
                   +1 :               0.00138191586162
                3d
                   -2 :              -0.00013943258761
                   -1 :              -0.00006947495966
                   +0 :              -0.00083958529732
                   +1 :              -0.00015790462926
                   +2 :               0.00001543441114
              2 vec=    -0.209286     -8.620964      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00024956549843
                2s
                   +0 :              -0.00122507673571
                3s
                   +0 :               0.00080793154323
                2p
                   -1 :              -0.00141526412609
                   +0 :              -0.00142113124818
                   +1 :               0.00060250047410
                3p
                   -1 :               0.00071920423804
                   +0 :               0.00087838718581
                   +1 :              -0.00055224479189
                3d
                   -2 :              -0.00001021488433
                   -1 :               0.00004501967020
                   +0 :               0.00003601677981
                   +1 :               0.00001233542809
                   +2 :               0.00003678421313
              3 vec=     7.570876     -4.129085      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00011897287211
                2s
                   +0 :              -0.00074369525110
                3s
                   +0 :               0.00018238721346
                2p
                   -1 :              -0.00063138893932
                   +0 :               0.00052103775225
                   +1 :               0.00040309002932
                3p
                   -1 :               0.00026672491967
                   +0 :              -0.00056621730122
                   +1 :              -0.00019301116560
                3d
                   -2 :               0.00001279082327
                   -1 :               0.00000786538151
                   +0 :              -0.00005626653436
                   +1 :              -0.00000666436117
                   +2 :               0.00002834908763
              4 vec=    -7.989449     -4.129085      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00005541322377
                2s
                   +0 :              -0.00053384024147
                3s
                   +0 :              -0.00006719317226
                2p
                   -1 :              -0.00008058816132
                   +0 :              -0.00032503692022
                   +1 :              -0.00090989557886
                3p
                   -1 :              -0.00028883657430
                   +0 :               0.00004276439799
                   +1 :               0.00051557730314
                3d
                   -2 :              -0.00002348606374
                   -1 :              -0.00002421218944
                   +0 :               0.00001345311509
                   +1 :               0.00001696913687
                   +2 :              -0.00001261137789
              5 vec=     7.570876      4.854673      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00003004932616
                2s
                   +0 :               0.00098715390059
                3s
                   +0 :               0.00006765960365
                2p
                   -1 :               0.00002904092585
                   +0 :              -0.00062103029211
                   +1 :               0.00054006055553
                3p
                   -1 :               0.00019932391901
                   +0 :               0.00021238174805
                   +1 :               0.00012437808587
                3d
                   -2 :               0.00002792105472
                   -1 :               0.00000898611464
                   +0 :              -0.00005044406140
                   +1 :               0.00002801378014
                   +2 :               0.00002940989221
              6 vec=    -7.989449      4.854673      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00004485304606
                2s
                   +0 :               0.00096360951504
                3s
                   +0 :              -0.00008024487278
                2p
                   -1 :               0.00029068877780
                   +0 :               0.00073685256950
                   +1 :              -0.00106571704472
                3p
                   -1 :              -0.00002297198803
                   +0 :              -0.00065597019997
                   +1 :               0.00042332840434
                3d
                   -2 :              -0.00004133677337
                   -1 :              -0.00000235356382
                   +0 :              -0.00000425217637
                   +1 :               0.00001175099149
                   +2 :              -0.00001781055011
              7 vec=    -0.209286      9.346552      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00009443932993
                2s
                   +0 :               0.00091522184495
                3s
                   +0 :              -0.00016111648223
                2p
                   -1 :               0.00114725889638
                   +0 :              -0.00032759533085
                   +1 :               0.00041359965102
                3p
                   -1 :              -0.00052348839344
                   +0 :               0.00051497245990
                   +1 :              -0.00037243796239
                3d
                   -2 :              -0.00000222062667
                   -1 :               0.00003466795998
                   +0 :               0.00007108116500
                   +1 :               0.00002216201048
                   +2 :               0.00003040260467
              8 vec=    -0.209286      0.362794    -16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000277400303
                2s
                   +0 :              -0.00008621192446
                3s
                   +0 :              -0.00005087904281
                2p
                   -1 :               0.00004115835035
                   +0 :              -0.00003674311367
                   +1 :               0.00009736504643
                3p
                   -1 :              -0.00004483750241
                   +0 :               0.00009987635364
                   +1 :              -0.00006714010692
                3d
                   -2 :              -0.00000474708636
                   -1 :               0.00000626700227
                   +0 :              -0.00001601274042
                   +1 :               0.00000102128680
                   +2 :               0.00000955458773
              9 vec=     7.570876    -13.112843      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00002741014519
                2s
                   +0 :              -0.00027065419988
                3s
                   +0 :               0.00008903478250
                2p
                   -1 :               0.00004896874185
                   +0 :               0.00009381472300
                   +1 :              -0.00006192481254
                3p
                   -1 :              -0.00002524302445
                   +0 :              -0.00004266156467
                   +1 :               0.00005060465603
                3d
                   -2 :              -0.00000289857689
                   -1 :               0.00000055490497
                   +0 :              -0.00000575412711
                   +1 :               0.00000180375025
                   +2 :               0.00000209193698
             10 vec=    -7.989449    -13.112843      8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000561585069
                2s
                   +0 :              -0.00006174306878
                3s
                   +0 :               0.00000825208574
                2p
                   -1 :              -0.00000504542799
                   +0 :               0.00003760699905
                   +1 :               0.00010046731241
                3p
                   -1 :               0.00000204761662
                   +0 :               0.00003080492401
                   +1 :              -0.00007301529354
                3d
                   -2 :               0.00000332520098
                   -1 :              -0.00001164279758
                   +0 :              -0.00000232822298
                   +1 :              -0.00000310839857
                   +2 :               0.00000422746831
             11 vec=    15.351039      0.362794      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000262258637
                2s
                   +0 :               0.00002647879255
                3s
                   +0 :               0.00000539877717
                2p
                   -1 :               0.00000781233909
                   +0 :              -0.00000096790552
                   +1 :               0.00009839837147
                3p
                   -1 :               0.00000529093967
                   +0 :               0.00003252295349
                   +1 :              -0.00001463446308
                3d
                   -2 :               0.00000427338023
                   -1 :               0.00000163876707
                   +0 :               0.00000137152991
                   +1 :               0.00000281671922
                   +2 :               0.00000121369844
             12 vec=   -15.769612      0.362794      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000672814880
                2s
                   +0 :               0.00003476287619
                3s
                   +0 :              -0.00000797705735
                2p
                   -1 :              -0.00002623283000
                   +0 :               0.00001117972128
                   +1 :               0.00003174399434
                3p
                   -1 :               0.00004620040059
                   +0 :               0.00003638588151
                   +1 :              -0.00003730774516
                3d
                   -2 :              -0.00000231504005
                   -1 :               0.00000275134596
                   +0 :               0.00000234912934
                   +1 :              -0.00000028412159
                   +2 :               0.00000046773171
             13 vec=     7.570876     13.838431      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001505184225
                2s
                   +0 :               0.00021668395241
                3s
                   +0 :               0.00001313809458
                2p
                   -1 :               0.00003823824737
                   +0 :               0.00006579089143
                   +1 :               0.00006911235701
                3p
                   -1 :               0.00004953214541
                   +0 :               0.00001583801103
                   +1 :               0.00003091748221
                3d
                   -2 :               0.00001087007019
                   -1 :               0.00000689869982
                   +0 :               0.00000291128760
                   +1 :               0.00001248883672
                   +2 :               0.00000141860787
             14 vec=    -7.989449     13.838431      8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00001464787778
                2s
                   +0 :               0.00018499275527
                3s
                   +0 :              -0.00001695179376
                2p
                   -1 :              -0.00001892839892
                   +0 :               0.00008065843947
                   +1 :              -0.00008971248528
                3p
                   -1 :               0.00005347579410
                   +0 :              -0.00004725366838
                   +1 :               0.00001602426760
                3d
                   -2 :              -0.00000045778098
                   -1 :               0.00000186068660
                   +0 :              -0.00000301998049
                   +1 :               0.00000404409369
                   +2 :               0.00000336908389
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 20)  npairs=  15
              1 vec=     2.802674     -4.129085      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00031166684108
                2s
                   +0 :               0.00263344403318
                3s
                   +0 :              -0.00028221291770
                2p
                   -1 :              -0.00227081260971
                   +0 :               0.00373166203232
                   +1 :               0.00019392049259
                3p
                   -1 :              -0.00082535349535
                   +0 :              -0.00048604109229
                   +1 :              -0.00084910470681
                3d
                   -2 :               0.00006034169784
                   -1 :              -0.00037005334455
                   +0 :               0.00017376882397
                   +1 :              -0.00014498492120
                   +2 :              -0.00018301072394
              2 vec=    -4.977489      0.362794      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00024973630789
                2s
                   +0 :               0.00326922073758
                3s
                   +0 :               0.00002303605591
                2p
                   -1 :               0.00493880171621
                   +0 :               0.00335389186547
                   +1 :              -0.00059327664180
                3p
                   -1 :              -0.00186255047492
                   +0 :              -0.00016138415715
                   +1 :              -0.00077866925064
                3d
                   -2 :              -0.00003219881634
                   -1 :               0.00000531594962
                   +0 :               0.00001044360980
                   +1 :              -0.00011514114456
                   +2 :              -0.00011870690801
              3 vec=     2.802674      4.854673      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00059383128301
                2s
                   +0 :               0.00547458066568
                3s
                   +0 :              -0.00062674805468
                2p
                   -1 :               0.00151081023686
                   +0 :               0.00204215010609
                   +1 :               0.00321243283491
                3p
                   -1 :              -0.00031330259370
                   +0 :               0.00109068474108
                   +1 :              -0.00031424219323
                3d
                   -2 :               0.00002421089997
                   -1 :              -0.00007749910026
                   +0 :               0.00015793103458
                   +1 :               0.00027312206571
                   +2 :               0.00010691276404
              4 vec=    -4.977489     -8.620964      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00004427496245
                2s
                   +0 :               0.00026052562057
                3s
                   +0 :              -0.00040026518466
                2p
                   -1 :              -0.00032235799055
                   +0 :              -0.00035052537318
                   +1 :              -0.00050625744581
                3p
                   -1 :               0.00057568274484
                   +0 :              -0.00015869868227
                   +1 :               0.00007769779916
                3d
                   -2 :               0.00000663703857
                   -1 :               0.00012274249712
                   +0 :              -0.00000796901852
                   +1 :               0.00000035710994
                   +2 :               0.00006892415114
              5 vec=    10.582837      0.362794      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00002306795294
                2s
                   +0 :               0.00037583672373
                3s
                   +0 :              -0.00002267646851
                2p
                   -1 :              -0.00027174338964
                   +0 :              -0.00009594959288
                   +1 :               0.00037786126416
                3p
                   -1 :               0.00003828373335
                   +0 :              -0.00002465493204
                   +1 :              -0.00002006929360
                3d
                   -2 :              -0.00001373568347
                   -1 :              -0.00002221943314
                   +0 :              -0.00001605790023
                   +1 :              -0.00000996592134
                   +2 :               0.00000974269986
              6 vec=    -4.977489      9.346552      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00004570102047
                2s
                   +0 :               0.00055770447189
                3s
                   +0 :              -0.00006208068724
                2p
                   -1 :               0.00031944962139
                   +0 :              -0.00016314377485
                   +1 :               0.00007972843199
                3p
                   -1 :              -0.00011323262771
                   +0 :               0.00014546938286
                   +1 :              -0.00008587474448
                3d
                   -2 :              -0.00000385887378
                   -1 :              -0.00000923853812
                   +0 :               0.00004003023102
                   +1 :               0.00001754788224
                   +2 :               0.00001921610174
              7 vec=     2.802674    -13.112843      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00005199905689
                2s
                   +0 :              -0.00041744225394
                3s
                   +0 :               0.00017123368980
                2p
                   -1 :               0.00038514066920
                   +0 :              -0.00002321682513
                   +1 :               0.00022608032756
                3p
                   -1 :              -0.00029945080031
                   +0 :               0.00005583092528
                   +1 :              -0.00008213707357
                3d
                   -2 :              -0.00001068418595
                   -1 :              -0.00001083191952
                   +0 :               0.00000210542826
                   +1 :               0.00000299835948
                   +2 :               0.00000623320940
              8 vec=   -12.757651     -4.129085      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00000934988704
                2s
                   +0 :              -0.00009354068513
                3s
                   +0 :               0.00001967951187
                2p
                   -1 :              -0.00004500145548
                   +0 :               0.00010014802903
                   +1 :              -0.00009194701827
                3p
                   -1 :               0.00002536524510
                   +0 :              -0.00004221680431
                   +1 :               0.00004412738244
                3d
                   -2 :              -0.00000407966732
                   -1 :              -0.00000470440171
                   +0 :              -0.00001013976491
                   +1 :              -0.00000241968461
                   +2 :              -0.00000092033947
              9 vec=    10.582837     -8.620964      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00002897088473
                2s
                   +0 :              -0.00028842689418
                3s
                   +0 :               0.00003982655995
                2p
                   -1 :               0.00012325677452
                   +0 :              -0.00007665575399
                   +1 :              -0.00004837507253
                3p
                   -1 :              -0.00006705187347
                   +0 :               0.00000180738890
                   +1 :              -0.00004172661670
                3d
                   -2 :               0.00000254306642
                   -1 :               0.00001170302106
                   +0 :              -0.00000085642131
                   +1 :              -0.00000268846710
                   +2 :              -0.00000704869590
             10 vec=   -12.757651      4.854673      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00001925635798
                2s
                   +0 :              -0.00007411510114
                3s
                   +0 :               0.00009067932097
                2p
                   -1 :              -0.00006096583131
                   +0 :               0.00010990153465
                   +1 :              -0.00009848325750
                3p
                   -1 :              -0.00002763454526
                   +0 :              -0.00008318529119
                   +1 :              -0.00003939052567
                3d
                   -2 :               0.00000410973693
                   -1 :              -0.00000492628798
                   +0 :               0.00000343873177
                   +1 :               0.00001220849425
                   +2 :               0.00001307507670
             11 vec=    10.582837      9.346552      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00001647408521
                2s
                   +0 :               0.00017541766037
                3s
                   +0 :              -0.00001477145509
                2p
                   -1 :               0.00008591498498
                   +0 :              -0.00009367509795
                   +1 :               0.00010959482104
                3p
                   -1 :              -0.00000932625103
                   +0 :               0.00009321974316
                   +1 :              -0.00000945903330
                3d
                   -2 :               0.00000102443279
                   -1 :               0.00000401860876
                   +0 :               0.00000598941199
                   +1 :               0.00000291295549
                   +2 :              -0.00000433189072
             12 vec=     2.802674     13.838431      8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00003903548129
                2s
                   +0 :               0.00038615769071
                3s
                   +0 :              -0.00004127892244
                2p
                   -1 :               0.00018211467604
                   +0 :               0.00002042013302
                   +1 :               0.00003649634065
                3p
                   -1 :              -0.00005313772862
                   +0 :               0.00003314061482
                   +1 :               0.00000762592979
                3d
                   -2 :               0.00000472418673
                   -1 :              -0.00000139433489
                   +0 :              -0.00000318554951
                   +1 :              -0.00000137520553
                   +2 :               0.00000054535482
             13 vec=     2.802674     -4.129085    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00000881572027
                2s
                   +0 :              -0.00005774137032
                3s
                   +0 :               0.00001268878587
                2p
                   -1 :               0.00027544354477
                   +0 :               0.00019412340019
                   +1 :              -0.00006142497649
                3p
                   -1 :              -0.00012835855906
                   +0 :              -0.00009120069240
                   +1 :               0.00007210855032
                3d
                   -2 :               0.00000589812445
                   -1 :               0.00000382034153
                   +0 :              -0.00000069312496
                   +1 :              -0.00000184616093
                   +2 :              -0.00000142578370
             14 vec=    -4.977489      0.362794    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00004475160991
                2s
                   +0 :              -0.00039206166053
                3s
                   +0 :               0.00010605907287
                2p
                   -1 :               0.00017712095809
                   +0 :               0.00024663863598
                   +1 :              -0.00007655050887
                3p
                   -1 :              -0.00008456530431
                   +0 :              -0.00011757834043
                   +1 :              -0.00000972339931
                3d
                   -2 :              -0.00000603281149
                   -1 :               0.00000268759140
                   +0 :               0.00001126261443
                   +1 :               0.00001272781370
                   +2 :               0.00000357831627
             15 vec=     2.802674      4.854673    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00003510613884
                2s
                   +0 :              -0.00040721164139
                3s
                   +0 :               0.00002284902911
                2p
                   -1 :              -0.00001071314325
                   +0 :               0.00025411750381
                   +1 :               0.00006502612655
                3p
                   -1 :              -0.00004231459740
                   +0 :              -0.00002772779956
                   +1 :               0.00004516807307
                3d
                   -2 :               0.00000624814075
                   -1 :               0.00001277540093
                   +0 :              -0.00000513142433
                   +1 :              -0.00001777264965
                   +2 :              -0.00000617921606
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 21)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00031015090530
                2s
                   +0 :               0.00314926459626
                3s
                   +0 :              -0.00052802163906
                2p
                   -1 :              -0.00294195254456
                   +0 :               0.00229823758539
                   +1 :               0.00129801018722
                3p
                   -1 :               0.00005151411311
                   +0 :              -0.00051850821449
                   +1 :              -0.00008494874452
                3d
                   -2 :              -0.00010128486768
                   -1 :              -0.00018606484818
                   +0 :               0.00001052231265
                   +1 :               0.00008747400439
                   +2 :              -0.00009622491365
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00062333866504
                2s
                   +0 :               0.00629523376220
                3s
                   +0 :              -0.00094420375508
                2p
                   -1 :               0.00314632407713
                   +0 :               0.00771656825028
                   +1 :               0.00315221870763
                3p
                   -1 :              -0.00082657712108
                   +0 :              -0.00122904109962
                   +1 :              -0.00017029369623
                3d
                   -2 :               0.00023709978923
                   -1 :               0.00018220950029
                   +0 :               0.00023887519334
                   +1 :               0.00029051225108
                   +2 :               0.00004186994799
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00033667045127
                2s
                   +0 :               0.00315746312921
                3s
                   +0 :               0.00004030915464
                2p
                   -1 :              -0.00188761558873
                   +0 :               0.00093872443874
                   +1 :              -0.00216507668079
                3p
                   -1 :               0.00184261166048
                   +0 :               0.00141471203749
                   +1 :              -0.00045480303463
                3d
                   -2 :              -0.00004849715926
                   -1 :               0.00011055968118
                   +0 :               0.00008158245733
                   +1 :              -0.00033464007960
                   +2 :               0.00009291202075
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00012240633828
                2s
                   +0 :              -0.00089995322749
                3s
                   +0 :               0.00023623099531
                2p
                   -1 :              -0.00024479015936
                   +0 :              -0.00046231099565
                   +1 :              -0.00024127884406
                3p
                   -1 :               0.00040037748963
                   +0 :               0.00010641309547
                   +1 :               0.00044442663968
                3d
                   -2 :               0.00001794864203
                   -1 :               0.00005228066923
                   +0 :               0.00002360534839
                   +1 :               0.00002667051110
                   +2 :               0.00003171953272
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00003653035715
                2s
                   +0 :              -0.00023446283352
                3s
                   +0 :               0.00011830468862
                2p
                   -1 :              -0.00053586587349
                   +0 :              -0.00042266257170
                   +1 :              -0.00012807932452
                3p
                   -1 :               0.00023252412247
                   +0 :               0.00035060475635
                   +1 :               0.00015805131210
                3d
                   -2 :               0.00000721867580
                   -1 :               0.00001862659292
                   +0 :               0.00003426532387
                   +1 :              -0.00000004441692
                   +2 :              -0.00001831999292
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00004025280667
                2s
                   +0 :               0.00079947221449
                3s
                   +0 :              -0.00007800223428
                2p
                   -1 :               0.00064812044729
                   +0 :              -0.00049241199850
                   +1 :              -0.00007874878863
                3p
                   -1 :              -0.00018215477142
                   +0 :               0.00018151953328
                   +1 :               0.00013539879786
                3d
                   -2 :               0.00002585220236
                   -1 :              -0.00002289993777
                   +0 :              -0.00003448428407
                   +1 :               0.00000755042506
                   +2 :              -0.00001772890988
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00005440004410
                2s
                   +0 :              -0.00040581720805
                3s
                   +0 :               0.00016690164641
                2p
                   -1 :               0.00032719031657
                   +0 :              -0.00008407999676
                   +1 :              -0.00008946195242
                3p
                   -1 :              -0.00026472833719
                   +0 :               0.00009353265101
                   +1 :              -0.00000243583623
                3d
                   -2 :               0.00001390198971
                   -1 :              -0.00000995705689
                   +0 :              -0.00002261696065
                   +1 :              -0.00000712852646
                   +2 :              -0.00000946292225
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00004321718764
                2s
                   +0 :              -0.00033315557002
                3s
                   +0 :               0.00007386266339
                2p
                   -1 :               0.00007310169165
                   +0 :               0.00008362897675
                   +1 :               0.00021679004699
                3p
                   -1 :              -0.00004467696530
                   +0 :              -0.00010598108396
                   +1 :              -0.00012090529937
                3d
                   -2 :              -0.00000485500243
                   -1 :               0.00000791961374
                   +0 :              -0.00000487759772
                   +1 :               0.00001201169598
                   +2 :              -0.00000396941038
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001150231681
                2s
                   +0 :              -0.00016880807944
                3s
                   +0 :               0.00000939786325
                2p
                   -1 :              -0.00012457615209
                   +0 :              -0.00008782675853
                   +1 :              -0.00003096340105
                3p
                   -1 :               0.00006974652100
                   +0 :               0.00001830704515
                   +1 :               0.00000709631729
                3d
                   -2 :              -0.00000109585553
                   -1 :               0.00000386651152
                   +0 :              -0.00000459794032
                   +1 :              -0.00000285402621
                   +2 :              -0.00000298170671
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00000422268347
                2s
                   +0 :              -0.00003444801815
                3s
                   +0 :               0.00003865526911
                2p
                   -1 :              -0.00010857329875
                   +0 :              -0.00010874052600
                   +1 :               0.00014132217221
                3p
                   -1 :               0.00004803138839
                   +0 :               0.00006016261767
                   +1 :              -0.00002406285447
                3d
                   -2 :               0.00000161849911
                   -1 :              -0.00000312143460
                   +0 :               0.00000735194461
                   +1 :               0.00000107572871
                   +2 :               0.00000565616576
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00002885697340
                2s
                   +0 :               0.00031275670562
                3s
                   +0 :              -0.00006885671118
                2p
                   -1 :               0.00006103418705
                   +0 :               0.00016565809880
                   +1 :              -0.00021735778184
                3p
                   -1 :               0.00005900171203
                   +0 :              -0.00010163137876
                   +1 :               0.00011087591940
                3d
                   -2 :               0.00000651447623
                   -1 :              -0.00001446123468
                   +0 :              -0.00000562111945
                   +1 :               0.00000995599548
                   +2 :              -0.00002182621586
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00002967170638
                2s
                   +0 :               0.00037915866051
                3s
                   +0 :              -0.00003736989330
                2p
                   -1 :               0.00025774581224
                   +0 :               0.00002646833126
                   +1 :              -0.00019983810375
                3p
                   -1 :              -0.00012482523930
                   +0 :               0.00003457738468
                   +1 :               0.00011413013983
                3d
                   -2 :               0.00000338187038
                   -1 :               0.00000505966846
                   +0 :              -0.00000004931347
                   +1 :              -0.00000476858369
                   +2 :               0.00000544534501
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002543546635
                2s
                   +0 :               0.00024143090455
                3s
                   +0 :              -0.00006954893767
                2p
                   -1 :               0.00003150116591
                   +0 :              -0.00004883698990
                   +1 :              -0.00010251952498
                3p
                   -1 :               0.00005321169285
                   +0 :               0.00005983168099
                   +1 :               0.00008331443239
                3d
                   -2 :              -0.00000363894192
                   -1 :              -0.00000374794452
                   +0 :               0.00000122158570
                   +1 :              -0.00001024363394
                   +2 :               0.00000855071775
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00006671460078
                2s
                   +0 :              -0.00055478861348
                3s
                   +0 :               0.00015182745502
                2p
                   -1 :               0.00005775399074
                   +0 :               0.00028661846339
                   +1 :               0.00015244536778
                3p
                   -1 :               0.00003865643789
                   +0 :              -0.00010375329756
                   +1 :              -0.00011848101335
                3d
                   -2 :               0.00000871004574
                   -1 :              -0.00000869196661
                   +0 :               0.00001314058409
                   +1 :               0.00000395803594
                   +2 :              -0.00000112241987
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00004128165058
                2s
                   +0 :              -0.00039385240784
                3s
                   +0 :               0.00005682765715
                2p
                   -1 :              -0.00001188307002
                   +0 :               0.00008383839214
                   +1 :              -0.00008230927095
                3p
                   -1 :              -0.00000220662333
                   +0 :               0.00006764006490
                   +1 :               0.00003969372953
                3d
                   -2 :               0.00000515005268
                   -1 :               0.00000085229333
                   +0 :              -0.00000654603995
                   +1 :               0.00000744958171
                   +2 :              -0.00000552893324
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 22)  npairs=  14
              1 vec=     2.803193     -1.376461     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00340322861026
                2s
                   +0 :              -0.05586954011439
                3s
                   +0 :               0.00471848321985
                2p
                   -1 :               0.01321873717875
                   +0 :               0.01846299767873
                   +1 :              -0.01774171073774
                3p
                   -1 :              -0.00421286536617
                   +0 :              -0.00014498475646
                   +1 :               0.00188756760921
                3d
                   -2 :              -0.00055836085687
                   -1 :              -0.00128458925561
                   +0 :              -0.00077664015288
                   +1 :               0.00187546273659
                   +2 :              -0.00038614722280
              2 vec=    -4.976970      3.115418     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00079647477106
                2s
                   +0 :              -0.00664950862919
                3s
                   +0 :               0.00179293539479
                2p
                   -1 :              -0.00127173917572
                   +0 :               0.00305624044294
                   +1 :               0.00236747880669
                3p
                   -1 :              -0.00050351466548
                   +0 :              -0.00278224732425
                   +1 :              -0.00018305788181
                3d
                   -2 :               0.00011298657415
                   -1 :              -0.00015016470888
                   +0 :               0.00041648722722
                   +1 :               0.00014190092839
                   +2 :               0.00032124480074
              3 vec=    -4.976970     -5.868340     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00012885385469
                2s
                   +0 :               0.00211419724385
                3s
                   +0 :              -0.00019437694538
                2p
                   -1 :               0.00180726420930
                   +0 :              -0.00142811226964
                   +1 :              -0.00175681839389
                3p
                   -1 :              -0.00010290145326
                   +0 :               0.00037103231479
                   +1 :               0.00098494051808
                3d
                   -2 :              -0.00007752076307
                   -1 :               0.00016170126654
                   +0 :               0.00004319468501
                   +1 :              -0.00008193626395
                   +2 :               0.00006970643181
              4 vec=     2.803193      7.607297     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00001515773034
                2s
                   +0 :               0.00002237439673
                3s
                   +0 :              -0.00031118090807
                2p
                   -1 :              -0.00155486233637
                   +0 :              -0.00071537270935
                   +1 :              -0.00106742098969
                3p
                   -1 :               0.00087407348719
                   +0 :              -0.00039136586467
                   +1 :               0.00046596194198
                3d
                   -2 :              -0.00014877647286
                   -1 :              -0.00008725036531
                   +0 :              -0.00002808727371
                   +1 :               0.00004034662038
                   +2 :               0.00001041706374
              5 vec=     2.803193    -10.360219     -4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00061879926973
                2s
                   +0 :               0.00557758663386
                3s
                   +0 :              -0.00117108133252
                2p
                   -1 :              -0.00190197981169
                   +0 :               0.00105604148078
                   +1 :               0.00118840556804
                3p
                   -1 :               0.00061414043521
                   +0 :              -0.00042754535262
                   +1 :               0.00017905266149
                3d
                   -2 :              -0.00018640131175
                   -1 :               0.00004790448628
                   +0 :              -0.00013723681742
                   +1 :               0.00009991425177
                   +2 :              -0.00003717927439
              6 vec=    10.583355      3.115418     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00000252017982
                2s
                   +0 :              -0.00054144777821
                3s
                   +0 :              -0.00014433477023
                2p
                   -1 :              -0.00004903203047
                   +0 :              -0.00000140151366
                   +1 :              -0.00044489517493
                3p
                   -1 :              -0.00006767787047
                   +0 :              -0.00000829048592
                   +1 :              -0.00005203814867
                3d
                   -2 :              -0.00000514901051
                   -1 :              -0.00001067772169
                   +0 :               0.00005802692217
                   +1 :               0.00001938125041
                   +2 :              -0.00006144938112
              7 vec=    10.583355     -5.868340     -4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00010471529926
                2s
                   +0 :              -0.00109409542399
                3s
                   +0 :               0.00008281972025
                2p
                   -1 :               0.00057607658994
                   +0 :              -0.00028484117544
                   +1 :               0.00042954465503
                3p
                   -1 :               0.00007112713338
                   +0 :               0.00042638840176
                   +1 :              -0.00048229165944
                3d
                   -2 :               0.00002727480279
                   -1 :              -0.00004125808430
                   +0 :               0.00002204773517
                   +1 :              -0.00000587668397
                   +2 :              -0.00001801562315
              8 vec=   -12.757133     -1.376461     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00007901984542
                2s
                   +0 :              -0.00100296160432
                3s
                   +0 :               0.00021011758424
                2p
                   -1 :              -0.00020710816179
                   +0 :               0.00005989599195
                   +1 :               0.00088894419118
                3p
                   -1 :               0.00012751969118
                   +0 :              -0.00008670001130
                   +1 :              -0.00022164574796
                3d
                   -2 :               0.00001034540446
                   -1 :               0.00001957574660
                   +0 :               0.00000692082977
                   +1 :              -0.00000318600570
                   +2 :               0.00000151050283
              9 vec=    -4.976970     12.099176     -4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00004202908515
                2s
                   +0 :              -0.00041474491013
                3s
                   +0 :               0.00011445234464
                2p
                   -1 :              -0.00054284770852
                   +0 :              -0.00004704737590
                   +1 :               0.00046018918423
                3p
                   -1 :               0.00028400485660
                   +0 :              -0.00011352994758
                   +1 :              -0.00027268556032
                3d
                   -2 :              -0.00002341447714
                   -1 :              -0.00001735662663
                   +0 :              -0.00000582953543
                   +1 :              -0.00000252936597
                   +2 :               0.00001221553669
             10 vec=   -12.757133      7.607297     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00003142501594
                2s
                   +0 :              -0.00030790390105
                3s
                   +0 :               0.00003392306514
                2p
                   -1 :               0.00009878389003
                   +0 :              -0.00013749955979
                   +1 :               0.00015447496585
                3p
                   -1 :              -0.00014523739282
                   +0 :               0.00007287172672
                   +1 :              -0.00001311941771
                3d
                   -2 :              -0.00000261795162
                   -1 :              -0.00000298435041
                   +0 :               0.00001700324701
                   +1 :              -0.00000211802628
                   +2 :               0.00000534642766
             11 vec=    -4.976970    -14.852098     -4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00016777135939
                2s
                   +0 :               0.00170257093632
                3s
                   +0 :              -0.00023773788387
                2p
                   -1 :              -0.00144862692505
                   +0 :               0.00022147912054
                   +1 :              -0.00043120291229
                3p
                   -1 :               0.00044728481598
                   +0 :              -0.00012755652760
                   +1 :               0.00004428436172
                3d
                   -2 :               0.00002863238011
                   -1 :               0.00001715993945
                   +0 :               0.00000198427489
                   +1 :               0.00002251804163
                   +2 :              -0.00002356252672
             12 vec=    10.583355     12.099176     -4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00003865806958
                2s
                   +0 :              -0.00038614387631
                3s
                   +0 :               0.00005161548947
                2p
                   -1 :              -0.00010374474629
                   +0 :               0.00003745509326
                   +1 :              -0.00014044555417
                3p
                   -1 :              -0.00006356585671
                   +0 :              -0.00007198402037
                   +1 :              -0.00001847356166
                3d
                   -2 :              -0.00001881511568
                   -1 :              -0.00000240310647
                   +0 :               0.00001351744268
                   +1 :              -0.00000125065160
                   +2 :               0.00000506808227
             13 vec=   -12.757133    -10.360219     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000603874080
                2s
                   +0 :               0.00015016171307
                3s
                   +0 :              -0.00000160237395
                2p
                   -1 :               0.00000531277754
                   +0 :               0.00000344674266
                   +1 :              -0.00022814203734
                3p
                   -1 :               0.00008221557013
                   +0 :              -0.00001259540859
                   +1 :               0.00004561141600
                3d
                   -2 :              -0.00000826485069
                   -1 :               0.00000381669554
                   +0 :               0.00000320245110
                   +1 :               0.00000108298277
                   +2 :               0.00001406856668
             14 vec=     2.803193     16.591055     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000251524132
                2s
                   +0 :               0.00001104033027
                3s
                   +0 :              -0.00002972688694
                2p
                   -1 :               0.00002837805376
                   +0 :              -0.00008103219141
                   +1 :               0.00001406652922
                3p
                   -1 :              -0.00006424363357
                   +0 :               0.00002547158963
                   +1 :              -0.00002276117199
                3d
                   -2 :              -0.00000718256363
                   -1 :               0.00000015102816
                   +0 :               0.00000274609438
                   +1 :               0.00000309121691
                   +2 :               0.00000144855821
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805      3.115418     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00220145993282
                2s
                   +0 :              -0.05248132853362
                3s
                   +0 :               0.00333582162200
                2p
                   -1 :              -0.02879220472098
                   +0 :               0.02181907347510
                   +1 :               0.00370271521489
                3p
                   -1 :               0.00493726919414
                   +0 :               0.00165721681252
                   +1 :              -0.00199946650168
                3d
                   -2 :               0.00063480513159
                   -1 :               0.00273659510121
                   +0 :              -0.00117627948479
                   +1 :              -0.00078926421054
                   +2 :               0.00095424732710
              2 vec=    -0.209805     -5.868340     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00073456493854
                2s
                   +0 :              -0.00135857988732
                3s
                   +0 :               0.00206040860560
                2p
                   -1 :               0.00645902226771
                   +0 :               0.00408333102768
                   +1 :               0.00105423537317
                3p
                   -1 :              -0.00107726343774
                   +0 :              -0.00210226200204
                   +1 :              -0.00070501707917
                3d
                   -2 :               0.00049121636776
                   -1 :               0.00219696402069
                   +0 :              -0.00059745588689
                   +1 :               0.00016425296788
                   +2 :              -0.00218934351942
              3 vec=     7.570358     -1.376461     -4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00012873042351
                2s
                   +0 :              -0.00184378953200
                3s
                   +0 :              -0.00039981323069
                2p
                   -1 :              -0.00082002263225
                   +0 :              -0.00216002238490
                   +1 :              -0.00360579979431
                3p
                   -1 :               0.00044343312577
                   +0 :               0.00011526760426
                   +1 :               0.00081463100105
                3d
                   -2 :               0.00010370971486
                   -1 :               0.00008275801382
                   +0 :               0.00021849220677
                   +1 :              -0.00024386808943
                   +2 :              -0.00018053911899
              4 vec=    -7.989968     -1.376461     -4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00026781954513
                2s
                   +0 :              -0.00220208779217
                3s
                   +0 :               0.00043170482369
                2p
                   -1 :              -0.00088495842152
                   +0 :              -0.00076912149816
                   +1 :               0.00216087381651
                3p
                   -1 :               0.00093211819936
                   +0 :              -0.00033791693781
                   +1 :               0.00008437928273
                3d
                   -2 :              -0.00012090773813
                   -1 :               0.00011267139413
                   +0 :               0.00018649279647
                   +1 :               0.00006137020634
                   +2 :              -0.00025135650831
              5 vec=     7.570358      7.607297     -4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00002108487851
                2s
                   +0 :              -0.00070236858401
                3s
                   +0 :              -0.00003177401987
                2p
                   -1 :              -0.00143015537933
                   +0 :              -0.00042131294973
                   +1 :               0.00003927333938
                3p
                   -1 :               0.00059912333692
                   +0 :               0.00013762620719
                   +1 :              -0.00037227021512
                3d
                   -2 :               0.00000929918689
                   -1 :              -0.00001265386783
                   +0 :              -0.00002899699507
                   +1 :              -0.00001409243891
                   +2 :              -0.00003554835507
              6 vec=    -7.989968      7.607297     -4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00014066080033
                2s
                   +0 :              -0.00122885335989
                3s
                   +0 :               0.00030756758220
                2p
                   -1 :              -0.00076216987058
                   +0 :              -0.00026992725558
                   +1 :               0.00129620079267
                3p
                   -1 :               0.00023407533318
                   +0 :               0.00001684434337
                   +1 :              -0.00083127168269
                3d
                   -2 :              -0.00000232967627
                   -1 :               0.00002815015609
                   +0 :              -0.00002899199306
                   +1 :               0.00002243599214
                   +2 :              -0.00000535064187
              7 vec=    -0.209805     12.099176     -4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00002663001279
                2s
                   +0 :              -0.00031406954092
                3s
                   +0 :              -0.00000649556612
                2p
                   -1 :              -0.00031688119386
                   +0 :              -0.00001148295136
                   +1 :              -0.00036916094136
                3p
                   -1 :              -0.00003713834936
                   +0 :               0.00002262149729
                   +1 :               0.00027860290598
                3d
                   -2 :               0.00004077422320
                   -1 :               0.00003406699672
                   +0 :               0.00001165950142
                   +1 :              -0.00000408400916
                   +2 :               0.00003402773124
              8 vec=     7.570358    -10.360219     -4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00005257577534
                2s
                   +0 :               0.00040487754696
                3s
                   +0 :              -0.00015104172318
                2p
                   -1 :               0.00085628336980
                   +0 :               0.00017624163725
                   +1 :               0.00064480495411
                3p
                   -1 :              -0.00029824323448
                   +0 :               0.00003909721642
                   +1 :              -0.00019366838663
                3d
                   -2 :               0.00000765807581
                   -1 :              -0.00000142657638
                   +0 :              -0.00003332704919
                   +1 :               0.00001171975865
                   +2 :               0.00001311097121
              9 vec=    -7.989968    -10.360219     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00014478562048
                2s
                   +0 :               0.00129021949938
                3s
                   +0 :              -0.00033348452636
                2p
                   -1 :               0.00064571389475
                   +0 :               0.00017431029341
                   +1 :              -0.00132846111461
                3p
                   -1 :              -0.00020689251306
                   +0 :              -0.00008671579069
                   +1 :               0.00055050593741
                3d
                   -2 :              -0.00002129642112
                   -1 :              -0.00002529320392
                   +0 :               0.00000010315122
                   +1 :               0.00001030922685
                   +2 :               0.00002555997668
             10 vec=    -0.209805    -14.852098     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00007835370223
                2s
                   +0 :               0.00078704806260
                3s
                   +0 :              -0.00010165449506
                2p
                   -1 :              -0.00039266984158
                   +0 :              -0.00006666225323
                   +1 :              -0.00006494173911
                3p
                   -1 :               0.00011878449175
                   +0 :               0.00019499790810
                   +1 :               0.00011563599255
                3d
                   -2 :              -0.00002217226177
                   -1 :              -0.00005203597319
                   +0 :              -0.00004936097072
                   +1 :               0.00002094199290
                   +2 :               0.00002306394101
             11 vec=    15.350520      3.115418     -4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00004372340592
                2s
                   +0 :              -0.00042798821991
                3s
                   +0 :               0.00005686556498
                2p
                   -1 :              -0.00024095495639
                   +0 :              -0.00008982668417
                   +1 :              -0.00018513500695
                3p
                   -1 :               0.00007071545344
                   +0 :               0.00002399072726
                   +1 :              -0.00001546123790
                3d
                   -2 :              -0.00000035085949
                   -1 :               0.00001050055867
                   +0 :               0.00001936548045
                   +1 :              -0.00000066440559
                   +2 :              -0.00000069631966
             12 vec=   -15.770130      3.115418     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00004850117038
                2s
                   +0 :              -0.00044889717070
                3s
                   +0 :               0.00008740085580
                2p
                   -1 :              -0.00012755187352
                   +0 :              -0.00017071256883
                   +1 :               0.00017555052161
                3p
                   -1 :               0.00004912280611
                   +0 :               0.00009934070052
                   +1 :               0.00002086046273
                3d
                   -2 :               0.00000459378019
                   -1 :               0.00000805532616
                   +0 :               0.00001059845743
                   +1 :              -0.00000523577156
                   +2 :              -0.00000058274231
             13 vec=    15.350520     -5.868340     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00004109954554
                2s
                   +0 :              -0.00038241672973
                3s
                   +0 :               0.00007269955317
                2p
                   -1 :               0.00001139733930
                   +0 :              -0.00002076074996
                   +1 :              -0.00020012528755
                3p
                   -1 :               0.00003149260717
                   +0 :               0.00002201737139
                   +1 :               0.00007834445499
                3d
                   -2 :               0.00000882696633
                   -1 :              -0.00000100041164
                   +0 :              -0.00000170862567
                   +1 :               0.00000253437103
                   +2 :              -0.00000072551339
             14 vec=   -15.770130     -5.868340     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00001797764409
                2s
                   +0 :              -0.00015353566933
                3s
                   +0 :               0.00003537156884
                2p
                   -1 :               0.00005986048651
                   +0 :               0.00002530115193
                   +1 :               0.00004051080613
                3p
                   -1 :               0.00000798363434
                   +0 :              -0.00002336355622
                   +1 :              -0.00000502489530
                3d
                   -2 :               0.00000115345548
                   -1 :              -0.00000185160947
                   +0 :               0.00000215216474
                   +1 :              -0.00000329952072
                   +2 :               0.00000122019394
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 24)  npairs=  14
              1 vec=    -2.593388     -1.013068     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00345391211257
                2s
                   +0 :              -0.07406158394401
                3s
                   +0 :               0.00619444267815
                2p
                   -1 :               0.01235222358946
                   +0 :               0.03377799281618
                   +1 :               0.02946116998014
                3p
                   -1 :              -0.00302656320449
                   +0 :              -0.00620673683377
                   +1 :              -0.00784869317438
                3d
                   -2 :              -0.00004772354319
                   -1 :              -0.00023534924053
                   +0 :              -0.00023080103945
                   +1 :              -0.00053631329222
                   +2 :              -0.00080518731361
              2 vec=     5.186775      3.478811     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00087296566124
                2s
                   +0 :              -0.00754868723214
                3s
                   +0 :               0.00232232031779
                2p
                   -1 :              -0.00294912537462
                   +0 :               0.00185098947656
                   +1 :              -0.00484105825218
                3p
                   -1 :               0.00045108941034
                   +0 :              -0.00106436862517
                   +1 :               0.00207227123207
                3d
                   -2 :               0.00003249996704
                   -1 :              -0.00003510726177
                   +0 :              -0.00026864866831
                   +1 :               0.00000480836776
                   +2 :               0.00017436406433
              3 vec=     5.186775     -5.504947     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00005812581274
                2s
                   +0 :              -0.00022819082836
                3s
                   +0 :               0.00016895583363
                2p
                   -1 :               0.00165568349926
                   +0 :              -0.00228303491586
                   +1 :              -0.00238149184431
                3p
                   -1 :               0.00032337477367
                   +0 :               0.00045795443707
                   +1 :               0.00200555675136
                3d
                   -2 :               0.00004501573094
                   -1 :               0.00016711641347
                   +0 :              -0.00000456620942
                   +1 :              -0.00013992178598
                   +2 :               0.00013830512705
              4 vec=    -2.593388      7.970690     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00031165640563
                2s
                   +0 :              -0.00233184112255
                3s
                   +0 :               0.00081715080746
                2p
                   -1 :              -0.00073772243135
                   +0 :               0.00016356330375
                   +1 :               0.00099524269853
                3p
                   -1 :              -0.00043004032000
                   +0 :              -0.00088003880767
                   +1 :              -0.00040657046886
                3d
                   -2 :               0.00002256882382
                   -1 :              -0.00008727384744
                   +0 :              -0.00002956859889
                   +1 :              -0.00001682793696
                   +2 :               0.00018051047849
              5 vec=    -2.593388     -9.996826     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00068403581882
                2s
                   +0 :               0.00695543923950
                3s
                   +0 :              -0.00080363882665
                2p
                   -1 :              -0.00114698499398
                   +0 :               0.00262250651314
                   +1 :               0.00117672461648
                3p
                   -1 :              -0.00037186775436
                   +0 :              -0.00109947099670
                   +1 :              -0.00214326413140
                3d
                   -2 :               0.00036101424507
                   -1 :              -0.00012663826615
                   +0 :              -0.00022666147956
                   +1 :              -0.00013164838847
                   +2 :               0.00000065763888
              6 vec=   -10.373550      3.478811     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00008805495771
                2s
                   +0 :               0.00032070643172
                3s
                   +0 :              -0.00052897398127
                2p
                   -1 :               0.00071442170606
                   +0 :              -0.00052948314254
                   +1 :              -0.00018832432368
                3p
                   -1 :              -0.00064212106011
                   +0 :               0.00026797442908
                   +1 :               0.00047374131326
                3d
                   -2 :               0.00014474360119
                   -1 :               0.00006502996343
                   +0 :               0.00012344979633
                   +1 :              -0.00010442696902
                   +2 :              -0.00004438426202
              7 vec=   -10.373550     -5.504947     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00008074960682
                2s
                   +0 :              -0.00093054532479
                3s
                   +0 :               0.00009164934031
                2p
                   -1 :               0.00087270944224
                   +0 :               0.00053284787883
                   +1 :               0.00005699583334
                3p
                   -1 :              -0.00029998054366
                   +0 :              -0.00017390892041
                   +1 :              -0.00003287470974
                3d
                   -2 :              -0.00001336828287
                   -1 :              -0.00000185306710
                   +0 :              -0.00002881050140
                   +1 :               0.00001147696586
                   +2 :              -0.00001796521237
              8 vec=    12.966938     -1.013068     -4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00007611789262
                2s
                   +0 :              -0.00100135954634
                3s
                   +0 :              -0.00005120844627
                2p
                   -1 :              -0.00047209960652
                   +0 :              -0.00021982678293
                   +1 :              -0.00080891695382
                3p
                   -1 :               0.00034214693650
                   +0 :               0.00025166647815
                   +1 :              -0.00009214260562
                3d
                   -2 :              -0.00000951679200
                   -1 :              -0.00001090400772
                   +0 :              -0.00001048539935
                   +1 :               0.00005399279505
                   +2 :              -0.00005652681114
              9 vec=     5.186775     12.462569     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00000872352989
                2s
                   +0 :              -0.00002764103834
                3s
                   +0 :              -0.00007600067163
                2p
                   -1 :               0.00002319000828
                   +0 :              -0.00011680445029
                   +1 :              -0.00011526520911
                3p
                   -1 :              -0.00015735764672
                   +0 :               0.00000278671518
                   +1 :               0.00003685763352
                3d
                   -2 :               0.00000055711761
                   -1 :               0.00000780745125
                   +0 :               0.00002574794051
                   +1 :               0.00001143216842
                   +2 :               0.00002146038832
             10 vec=    12.966938      7.970690     -4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00002580197738
                2s
                   +0 :              -0.00028904438153
                3s
                   +0 :               0.00003815548216
                2p
                   -1 :              -0.00004908148580
                   +0 :              -0.00011421211688
                   +1 :              -0.00025324905915
                3p
                   -1 :              -0.00004181480520
                   +0 :               0.00005105647515
                   +1 :               0.00007631651062
                3d
                   -2 :               0.00000172633652
                   -1 :              -0.00000226572920
                   +0 :               0.00000371423426
                   +1 :               0.00000491003011
                   +2 :               0.00000477777638
             11 vec=     5.186775    -14.488705     -4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00012895758403
                2s
                   +0 :               0.00134513001446
                3s
                   +0 :              -0.00023868308174
                2p
                   -1 :              -0.00094595482539
                   +0 :               0.00008740642732
                   +1 :               0.00053364670560
                3p
                   -1 :               0.00032373042778
                   +0 :              -0.00005052417002
                   +1 :              -0.00006533074083
                3d
                   -2 :              -0.00002892482847
                   -1 :               0.00002523045424
                   +0 :              -0.00000394831307
                   +1 :              -0.00002323215401
                   +2 :              -0.00001168761698
             12 vec=   -10.373550     12.462569     -4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00001369156401
                2s
                   +0 :              -0.00021895550018
                3s
                   +0 :              -0.00001275839594
                2p
                   -1 :              -0.00013847995129
                   +0 :              -0.00008101928624
                   +1 :               0.00007619114288
                3p
                   -1 :              -0.00002214950158
                   +0 :               0.00003054723891
                   +1 :               0.00001128339751
                3d
                   -2 :               0.00002689364122
                   -1 :               0.00000411478895
                   +0 :               0.00001381418131
                   +1 :              -0.00000192734390
                   +2 :               0.00000430284842
             13 vec=    12.966938     -9.996826     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00001909796205
                2s
                   +0 :              -0.00015802919527
                3s
                   +0 :               0.00005668785438
                2p
                   -1 :               0.00034534707981
                   +0 :              -0.00008396751974
                   +1 :               0.00004940253600
                3p
                   -1 :              -0.00013650755140
                   +0 :               0.00008044944305
                   +1 :              -0.00000023016160
                3d
                   -2 :               0.00000557551563
                   -1 :              -0.00000908783958
                   +0 :               0.00000111215600
                   +1 :               0.00000771237357
                   +2 :               0.00000450217262
             14 vec=    -2.593388     16.954448     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00001189360342
                2s
                   +0 :              -0.00008727208027
                3s
                   +0 :               0.00002681270595
                2p
                   -1 :              -0.00007142986687
                   +0 :              -0.00006435749885
                   +1 :              -0.00002902009650
                3p
                   -1 :               0.00001603062174
                   +0 :               0.00001968957676
                   +1 :               0.00002749359740
                3d
                   -2 :              -0.00000032062879
                   -1 :               0.00000298378773
                   +0 :               0.00000328865412
                   +1 :               0.00000078009157
                   +2 :              -0.00000220003143
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 25)  npairs=  15
              1 vec=     4.976970      0.363094     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00047273637794
                2s
                   +0 :              -0.00576931355074
                3s
                   +0 :               0.00022448417259
                2p
                   -1 :              -0.00270776296494
                   +0 :               0.00319314546885
                   +1 :              -0.00066784665747
                3p
                   -1 :               0.00084012727280
                   +0 :               0.00018337950238
                   +1 :              -0.00062477519770
                3d
                   -2 :              -0.00007900653455
                   -1 :               0.00003634065485
                   +0 :              -0.00021209843147
                   +1 :               0.00015096707946
                   +2 :               0.00004381677243
              2 vec=    -2.803193     -4.128785     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00018325434064
                2s
                   +0 :              -0.00089454906519
                3s
                   +0 :               0.00018952175912
                2p
                   -1 :               0.00268857021123
                   +0 :               0.00177123318490
                   +1 :               0.00043413586930
                3p
                   -1 :               0.00049520300742
                   +0 :               0.00038291125908
                   +1 :              -0.00055620408764
                3d
                   -2 :               0.00001366406841
                   -1 :              -0.00028989355808
                   +0 :              -0.00013166327808
                   +1 :               0.00004777643480
                   +2 :               0.00012013362622
              3 vec=    -2.803193      4.854973     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00022990999596
                2s
                   +0 :              -0.00280983274411
                3s
                   +0 :              -0.00013376086592
                2p
                   -1 :              -0.00107246275988
                   +0 :               0.00152046507928
                   +1 :               0.00274773041400
                3p
                   -1 :              -0.00027859645650
                   +0 :               0.00085024021804
                   +1 :              -0.00083346975249
                3d
                   -2 :               0.00002440674905
                   -1 :              -0.00004517162706
                   +0 :              -0.00006397515634
                   +1 :              -0.00015364575597
                   +2 :              -0.00003091860356
              4 vec=     4.976970     -8.620664     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00007437092596
                2s
                   +0 :              -0.00022817861473
                3s
                   +0 :               0.00048573098956
                2p
                   -1 :               0.00079570919230
                   +0 :              -0.00031556024367
                   +1 :               0.00050747153180
                3p
                   -1 :              -0.00058069428118
                   +0 :               0.00010822616233
                   +1 :              -0.00010710041580
                3d
                   -2 :              -0.00001193907475
                   -1 :               0.00008633225184
                   +0 :              -0.00001619276287
                   +1 :               0.00001261698574
                   +2 :              -0.00004812162398
              5 vec=     4.976970      9.346852     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00002105433278
                2s
                   +0 :              -0.00039924719276
                3s
                   +0 :              -0.00002534006835
                2p
                   -1 :              -0.00028760884260
                   +0 :              -0.00037287210835
                   +1 :               0.00024026206689
                3p
                   -1 :               0.00004178675997
                   +0 :               0.00030613542847
                   +1 :              -0.00016624089740
                3d
                   -2 :              -0.00000711311091
                   -1 :               0.00001032424237
                   +0 :              -0.00005094041497
                   +1 :              -0.00001595432381
                   +2 :              -0.00002353635134
              6 vec=   -10.583355      0.363094     -8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00005966920156
                2s
                   +0 :              -0.00084600680316
                3s
                   +0 :               0.00006885863187
                2p
                   -1 :               0.00028460613199
                   +0 :              -0.00022953028744
                   +1 :               0.00036680744993
                3p
                   -1 :              -0.00018026341947
                   +0 :               0.00007051327849
                   +1 :               0.00006555451022
                3d
                   -2 :               0.00001485695143
                   -1 :              -0.00001553019709
                   +0 :               0.00001435587379
                   +1 :               0.00001721415559
                   +2 :              -0.00001618529120
              7 vec=    12.757133     -4.128785     -8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00004751719743
                2s
                   +0 :              -0.00053401229101
                3s
                   +0 :               0.00009031414819
                2p
                   -1 :               0.00004866792449
                   +0 :               0.00024248102371
                   +1 :              -0.00027743243413
                3p
                   -1 :               0.00003200977838
                   +0 :              -0.00011145726204
                   +1 :               0.00011696179291
                3d
                   -2 :               0.00000551904655
                   -1 :              -0.00000808546451
                   +0 :               0.00002229190142
                   +1 :               0.00000212264826
                   +2 :              -0.00000319850830
              8 vec=    -2.803193    -13.112543     -8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00011890655041
                2s
                   +0 :               0.00136255076535
                3s
                   +0 :              -0.00014856624269
                2p
                   -1 :              -0.00044264093123
                   +0 :              -0.00028760707829
                   +1 :              -0.00011124316805
                3p
                   -1 :               0.00011855202024
                   +0 :               0.00009041550562
                   +1 :               0.00000686618919
                3d
                   -2 :               0.00000307534776
                   -1 :              -0.00000419168178
                   +0 :               0.00001119838457
                   +1 :              -0.00003237147392
                   +2 :               0.00000397425949
              9 vec=    12.757133      4.854973     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00002350755609
                2s
                   +0 :              -0.00035402382371
                3s
                   +0 :              -0.00001301881341
                2p
                   -1 :              -0.00005459328775
                   +0 :               0.00014468171120
                   +1 :              -0.00005995855744
                3p
                   -1 :               0.00000776794460
                   +0 :              -0.00005935542359
                   +1 :              -0.00009598206142
                3d
                   -2 :              -0.00000482692193
                   -1 :              -0.00000071056071
                   +0 :              -0.00000643717878
                   +1 :              -0.00000918620002
                   +2 :              -0.00000969264440
             10 vec=   -10.583355     -8.620664     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00002408592615
                2s
                   +0 :               0.00021274015264
                3s
                   +0 :              -0.00007923716630
                2p
                   -1 :               0.00009593564917
                   +0 :               0.00003047309645
                   +1 :              -0.00004412637595
                3p
                   -1 :               0.00007150888018
                   +0 :               0.00003283029796
                   +1 :              -0.00005320690404
                3d
                   -2 :              -0.00000522263986
                   -1 :              -0.00001396498655
                   +0 :              -0.00000280548686
                   +1 :              -0.00000137396762
                   +2 :               0.00000869241801
             11 vec=    -2.803193     13.838731     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000628058672
                2s
                   +0 :              -0.00009646480682
                3s
                   +0 :               0.00000201045892
                2p
                   -1 :               0.00000052615308
                   +0 :              -0.00006379864812
                   +1 :               0.00001520953005
                3p
                   -1 :              -0.00006186872926
                   +0 :               0.00003475530499
                   +1 :              -0.00001192876784
                3d
                   -2 :              -0.00000424569958
                   -1 :              -0.00000533687656
                   +0 :               0.00000722130758
                   +1 :              -0.00000312538933
                   +2 :              -0.00000365122149
             12 vec=   -10.583355      9.346852     -8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00002003511597
                2s
                   +0 :              -0.00025818097726
                3s
                   +0 :               0.00000780166259
                2p
                   -1 :               0.00003479702909
                   +0 :              -0.00008205033697
                   +1 :              -0.00003851929395
                3p
                   -1 :              -0.00008737029966
                   +0 :               0.00009427380850
                   +1 :               0.00010547621757
                3d
                   -2 :               0.00000416080544
                   -1 :               0.00000274517751
                   +0 :              -0.00000638097901
                   +1 :              -0.00000610950209
                   +2 :               0.00000232446023
             13 vec=     4.976970      0.363094     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00002039492681
                2s
                   +0 :               0.00023164720472
                3s
                   +0 :              -0.00003136052964
                2p
                   -1 :              -0.00014090469391
                   +0 :               0.00025633831523
                   +1 :              -0.00007832994927
                3p
                   -1 :               0.00003061581408
                   +0 :              -0.00008451202015
                   +1 :               0.00000999349972
                3d
                   -2 :              -0.00000480671783
                   -1 :              -0.00000621048154
                   +0 :              -0.00000330337875
                   +1 :              -0.00001056994403
                   +2 :              -0.00000691549899
             14 vec=    -2.803193     -4.128785     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00004058291851
                2s
                   +0 :               0.00029194737630
                3s
                   +0 :              -0.00010316612148
                2p
                   -1 :              -0.00018591748081
                   +0 :               0.00030985161333
                   +1 :              -0.00016157718898
                3p
                   -1 :               0.00013641488869
                   +0 :              -0.00017185183826
                   +1 :               0.00006678604646
                3d
                   -2 :               0.00000175254711
                   -1 :               0.00000724435764
                   +0 :               0.00000000837572
                   +1 :              -0.00000564015699
                   +2 :               0.00000383603187
             15 vec=    -2.803193      4.854973     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001501741695
                2s
                   +0 :               0.00017499477319
                3s
                   +0 :               0.00000315814078
                2p
                   -1 :              -0.00002142136782
                   +0 :               0.00016998271917
                   +1 :               0.00004386205834
                3p
                   -1 :               0.00005956774766
                   +0 :               0.00000807256713
                   +1 :               0.00002563052559
                3d
                   -2 :               0.00000589129600
                   -1 :               0.00001118227409
                   +0 :               0.00000321481323
                   +1 :               0.00000717181655
                   +2 :               0.00000362653389
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 26)  npairs=  14
              1 vec=     0.209805      0.363094     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00057980180235
                2s
                   +0 :              -0.00314542163276
                3s
                   +0 :               0.00164667723205
                2p
                   -1 :               0.00077577429422
                   +0 :               0.00521904438387
                   +1 :              -0.00278482935373
                3p
                   -1 :              -0.00048963933565
                   +0 :              -0.00383994962899
                   +1 :               0.00176934923025
                3d
                   -2 :              -0.00010174761187
                   -1 :               0.00006114498327
                   +0 :               0.00070285942285
                   +1 :               0.00006205644782
                   +2 :              -0.00001964297993
              2 vec=    -7.570358     -4.128785     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00003164125733
                2s
                   +0 :              -0.00006554451048
                3s
                   +0 :              -0.00009506080082
                2p
                   -1 :               0.00038751180383
                   +0 :              -0.00009370175924
                   +1 :               0.00047868292630
                3p
                   -1 :              -0.00005855122367
                   +0 :              -0.00005481333677
                   +1 :              -0.00035514877120
                3d
                   -2 :               0.00002576192284
                   -1 :               0.00003706578343
                   +0 :               0.00005633656367
                   +1 :              -0.00000181054305
                   +2 :               0.00000928836566
              3 vec=     0.209805     -8.620664     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00094583058062
                2s
                   +0 :               0.00941043266968
                3s
                   +0 :              -0.00168786854558
                2p
                   -1 :              -0.00024953968746
                   +0 :              -0.00390859270295
                   +1 :               0.00021466390632
                3p
                   -1 :              -0.00009282285475
                   +0 :               0.00083762018513
                   +1 :               0.00025742346642
                3d
                   -2 :              -0.00006515270045
                   -1 :               0.00017340400208
                   +0 :               0.00033319704471
                   +1 :              -0.00011195125038
                   +2 :              -0.00009857261032
              4 vec=    -7.570358      4.854973     -8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00000152593974
                2s
                   +0 :              -0.00081727929298
                3s
                   +0 :              -0.00017111813954
                2p
                   -1 :              -0.00037602524754
                   +0 :              -0.00012474595628
                   +1 :               0.00026248553367
                3p
                   -1 :               0.00010542103679
                   +0 :               0.00009707079705
                   +1 :               0.00022885094308
                3d
                   -2 :              -0.00000983175454
                   -1 :              -0.00000117371294
                   +0 :               0.00001103547331
                   +1 :              -0.00003615494018
                   +2 :              -0.00002135150692
              5 vec=     7.989968     -4.128785     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00008810104785
                2s
                   +0 :              -0.00080171338065
                3s
                   +0 :               0.00010541419101
                2p
                   -1 :               0.00040379904631
                   +0 :              -0.00003158432338
                   +1 :              -0.00094847527921
                3p
                   -1 :              -0.00003488623961
                   +0 :               0.00011006352618
                   +1 :               0.00054170138546
                3d
                   -2 :              -0.00003050774313
                   -1 :               0.00000211018222
                   +0 :              -0.00003846399314
                   +1 :              -0.00000544516728
                   +2 :              -0.00000671264568
              6 vec=     0.209805      9.346852     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00007842382278
                2s
                   +0 :              -0.00064772599345
                3s
                   +0 :               0.00019988573180
                2p
                   -1 :              -0.00077454811856
                   +0 :              -0.00016021344555
                   +1 :              -0.00013416367454
                3p
                   -1 :               0.00044904008384
                   +0 :               0.00014589719298
                   +1 :               0.00008833976418
                3d
                   -2 :               0.00000545517489
                   -1 :               0.00000573085465
                   +0 :              -0.00004009391906
                   +1 :              -0.00003705118710
                   +2 :              -0.00003421751490
              7 vec=     7.989968      4.854973     -8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00008687730624
                2s
                   +0 :              -0.00128935566346
                3s
                   +0 :               0.00014615294403
                2p
                   -1 :              -0.00039627420633
                   +0 :               0.00051814313040
                   +1 :              -0.00102686416006
                3p
                   -1 :               0.00004762078870
                   +0 :              -0.00048135499674
                   +1 :               0.00046191336604
                3d
                   -2 :              -0.00001932605253
                   -1 :              -0.00000915067753
                   +0 :              -0.00000598145401
                   +1 :              -0.00000262400362
                   +2 :               0.00001382466364
              8 vec=     0.209805      0.363094     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001691953561
                2s
                   +0 :              -0.00012139673057
                3s
                   +0 :               0.00007877010637
                2p
                   -1 :              -0.00003461124000
                   +0 :              -0.00004169667224
                   +1 :               0.00011832583077
                3p
                   -1 :               0.00004204562437
                   +0 :               0.00008562124775
                   +1 :              -0.00012600769597
                3d
                   -2 :              -0.00000838823195
                   -1 :              -0.00000014475234
                   +0 :               0.00001116703152
                   +1 :              -0.00000501928136
                   +2 :              -0.00000633477974
              9 vec=    -7.570358    -13.112543     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00004547973432
                2s
                   +0 :               0.00057871916598
                3s
                   +0 :              -0.00005284719239
                2p
                   -1 :              -0.00000986909216
                   +0 :               0.00005438343420
                   +1 :              -0.00014234281338
                3p
                   -1 :              -0.00005803419552
                   +0 :              -0.00009405725946
                   +1 :              -0.00007087297835
                3d
                   -2 :               0.00000624499946
                   -1 :              -0.00000718443058
                   +0 :              -0.00001812528642
                   +1 :               0.00001975035610
                   +2 :               0.00000282667686
             10 vec=   -15.350520      0.363094     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00003586683476
                2s
                   +0 :              -0.00038980040318
                3s
                   +0 :               0.00005227675663
                2p
                   -1 :               0.00005356510835
                   +0 :               0.00010032808743
                   +1 :               0.00024878227354
                3p
                   -1 :              -0.00005507142073
                   +0 :              -0.00002184200779
                   +1 :              -0.00008604025894
                3d
                   -2 :               0.00000647771441
                   -1 :               0.00000633740260
                   +0 :              -0.00000282151948
                   +1 :              -0.00000851297723
                   +2 :              -0.00000599206349
             11 vec=     7.989968    -13.112543     -8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00003565406016
                2s
                   +0 :               0.00030542249257
                3s
                   +0 :              -0.00007399129373
                2p
                   -1 :               0.00010733684700
                   +0 :               0.00006164414125
                   +1 :               0.00030083909486
                3p
                   -1 :              -0.00003724550214
                   +0 :              -0.00001703462502
                   +1 :              -0.00013658932024
                3d
                   -2 :               0.00000520542120
                   -1 :              -0.00000789523677
                   +0 :              -0.00000900522295
                   +1 :               0.00000405854623
                   +2 :               0.00000056809879
             12 vec=    -7.570358     13.838731     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00001635380609
                2s
                   +0 :              -0.00018741370169
                3s
                   +0 :               0.00001118042752
                2p
                   -1 :              -0.00016772909639
                   +0 :              -0.00005853925599
                   +1 :               0.00000115910333
                3p
                   -1 :               0.00004412418614
                   +0 :               0.00005754367436
                   +1 :               0.00002190453491
                3d
                   -2 :               0.00000584973797
                   -1 :               0.00000340737255
                   +0 :              -0.00000416872592
                   +1 :              -0.00000611656683
                   +2 :               0.00000059183480
             13 vec=    15.770130      0.363094     -8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00004795543311
                2s
                   +0 :              -0.00044443571260
                3s
                   +0 :               0.00008440805005
                2p
                   -1 :               0.00004079866199
                   +0 :               0.00004178671986
                   +1 :              -0.00008627115220
                3p
                   -1 :              -0.00005997608767
                   +0 :               0.00002706868225
                   +1 :              -0.00001960496740
                3d
                   -2 :              -0.00000099330380
                   -1 :               0.00000375411749
                   +0 :              -0.00000239208544
                   +1 :              -0.00000070928466
                   +2 :              -0.00000288406471
             14 vec=     7.989968     13.838731     -8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00000685028484
                2s
                   +0 :              -0.00011500618502
                3s
                   +0 :              -0.00000511119857
                2p
                   -1 :              -0.00003444106352
                   +0 :              -0.00000398945544
                   +1 :              -0.00001368530909
                3p
                   -1 :              -0.00003427728706
                   +0 :              -0.00000022814177
                   +1 :              -0.00000185071871
                3d
                   -2 :              -0.00000115787286
                   -1 :               0.00000161869412
                   +0 :               0.00000182705070
                   +1 :              -0.00000269590490
                   +2 :              -0.00000097841736
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 27)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00018475757282
                2s
                   +0 :              -0.00191463637009
                3s
                   +0 :              -0.00021324278918
                2p
                   -1 :               0.00100436370145
                   +0 :               0.00048686411658
                   +1 :              -0.00123465893067
                3p
                   -1 :              -0.00145110075446
                   +0 :               0.00113341110974
                   +1 :              -0.00035087679469
                3d
                   -2 :              -0.00006517067469
                   -1 :               0.00011232399910
                   +0 :              -0.00003656960391
                   +1 :               0.00021125663713
                   +2 :              -0.00002135747480
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00066287334440
                2s
                   +0 :              -0.00690635280469
                3s
                   +0 :               0.00085351748723
                2p
                   -1 :              -0.00188264313410
                   +0 :               0.00599115655884
                   +1 :               0.00283610451461
                3p
                   -1 :               0.00091909566379
                   +0 :              -0.00083725676261
                   +1 :              -0.00038616417039
                3d
                   -2 :               0.00007053789820
                   -1 :               0.00011223636154
                   +0 :              -0.00028670600750
                   +1 :              -0.00026316351632
                   +2 :              -0.00004759548102
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00029040860000
                2s
                   +0 :              -0.00275206439153
                3s
                   +0 :               0.00056296877797
                2p
                   -1 :               0.00127490784596
                   +0 :               0.00158765682375
                   +1 :              -0.00005843597930
                3p
                   -1 :               0.00118997244665
                   +0 :               0.00021232906709
                   +1 :               0.00061358832070
                3d
                   -2 :              -0.00002088244136
                   -1 :              -0.00020146829495
                   +0 :              -0.00007993605568
                   +1 :              -0.00005310121920
                   +2 :               0.00008360715900
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00004565685372
                2s
                   +0 :              -0.00082531450021
                3s
                   +0 :               0.00006817857789
                2p
                   -1 :              -0.00046995922760
                   +0 :              -0.00027586524511
                   +1 :              -0.00001603383866
                3p
                   -1 :               0.00002095927057
                   +0 :               0.00011885033927
                   +1 :               0.00006468316642
                3d
                   -2 :               0.00002524468448
                   -1 :               0.00000421623568
                   +0 :               0.00005039221963
                   +1 :               0.00000201950861
                   +2 :               0.00003258435227
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001666223143
                2s
                   +0 :              -0.00054032175845
                3s
                   +0 :              -0.00013428450302
                2p
                   -1 :               0.00024166013083
                   +0 :              -0.00028744044011
                   +1 :              -0.00022129648847
                3p
                   -1 :              -0.00012874643282
                   +0 :               0.00027796543830
                   +1 :               0.00002284600551
                3d
                   -2 :              -0.00001608144386
                   -1 :               0.00003456574683
                   +0 :              -0.00001424292552
                   +1 :               0.00001015490989
                   +2 :               0.00000369530746
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00007930258435
                2s
                   +0 :               0.00114583707662
                3s
                   +0 :              -0.00001174612148
                2p
                   -1 :               0.00012320895225
                   +0 :              -0.00083113688818
                   +1 :              -0.00069929352803
                3p
                   -1 :              -0.00015641448007
                   +0 :               0.00029808364751
                   +1 :               0.00014475644008
                3d
                   -2 :               0.00004048228294
                   -1 :               0.00003197893547
                   +0 :              -0.00004412863811
                   +1 :               0.00000292299184
                   +2 :               0.00000684687208
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000288858379
                2s
                   +0 :              -0.00005973494103
                3s
                   +0 :              -0.00003655227547
                2p
                   -1 :              -0.00014429391653
                   +0 :              -0.00005247908353
                   +1 :              -0.00004803318986
                3p
                   -1 :               0.00005177742046
                   +0 :               0.00004162924958
                   +1 :               0.00003401817123
                3d
                   -2 :               0.00000072973855
                   -1 :               0.00000411263605
                   +0 :               0.00000101299774
                   +1 :               0.00000566430957
                   +2 :              -0.00000089907045
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00003943538650
                2s
                   +0 :              -0.00043834985760
                3s
                   +0 :               0.00006430453341
                2p
                   -1 :              -0.00015036581895
                   +0 :               0.00012904482098
                   +1 :              -0.00016372360726
                3p
                   -1 :               0.00001403569288
                   +0 :              -0.00007927924324
                   +1 :               0.00006685260529
                3d
                   -2 :               0.00000426950613
                   -1 :              -0.00001613944485
                   +0 :               0.00000684876018
                   +1 :              -0.00000095496519
                   +2 :               0.00001586532190
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00008079389315
                2s
                   +0 :              -0.00066437160723
                3s
                   +0 :               0.00017308098771
                2p
                   -1 :              -0.00006385899375
                   +0 :               0.00021039283267
                   +1 :               0.00012032589084
                3p
                   -1 :              -0.00000305242718
                   +0 :              -0.00010727105598
                   +1 :              -0.00000426663405
                3d
                   -2 :               0.00000889673708
                   -1 :              -0.00000036400543
                   +0 :              -0.00000426949316
                   +1 :               0.00000397524689
                   +2 :              -0.00000598510999
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00002682554745
                2s
                   +0 :              -0.00022299484531
                3s
                   +0 :               0.00004187289189
                2p
                   -1 :               0.00020555620601
                   +0 :               0.00006098976274
                   +1 :               0.00006695314553
                3p
                   -1 :              -0.00011580796562
                   +0 :              -0.00001247475956
                   +1 :              -0.00002052480366
                3d
                   -2 :               0.00000168321807
                   -1 :               0.00000536584011
                   +0 :               0.00000484120550
                   +1 :              -0.00000469415084
                   +2 :              -0.00000255835131
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000405149541
                2s
                   +0 :               0.00002432298053
                3s
                   +0 :               0.00000390070726
                2p
                   -1 :               0.00009909307097
                   +0 :               0.00026484696724
                   +1 :               0.00024580928165
                3p
                   -1 :               0.00004170354748
                   +0 :              -0.00018729100586
                   +1 :              -0.00011140176897
                3d
                   -2 :               0.00000421479552
                   -1 :               0.00000043083456
                   +0 :               0.00000465948154
                   +1 :              -0.00000108609169
                   +2 :               0.00000656703606
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00016529717841
                2s
                   +0 :               0.00157438026293
                3s
                   +0 :              -0.00032349050119
                2p
                   -1 :              -0.00053057005208
                   +0 :               0.00012480750769
                   +1 :               0.00034134702879
                3p
                   -1 :               0.00009863139041
                   +0 :              -0.00003975865875
                   +1 :              -0.00012980491687
                3d
                   -2 :               0.00000077448599
                   -1 :              -0.00002506892243
                   +0 :               0.00000294073061
                   +1 :               0.00000972457456
                   +2 :              -0.00000438249031
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002538464196
                2s
                   +0 :               0.00024152876163
                3s
                   +0 :              -0.00001620880055
                2p
                   -1 :              -0.00002487456093
                   +0 :               0.00010152744103
                   +1 :              -0.00010493643861
                3p
                   -1 :               0.00003742242023
                   +0 :               0.00009053693219
                   +1 :               0.00002258902187
                3d
                   -2 :               0.00000311979960
                   -1 :               0.00000210464443
                   +0 :               0.00000665551934
                   +1 :              -0.00000719853576
                   +2 :               0.00000450069663
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00004834335309
                2s
                   +0 :               0.00033787036523
                3s
                   +0 :              -0.00012994501390
                2p
                   -1 :              -0.00005208667610
                   +0 :               0.00019283521050
                   +1 :               0.00010871114770
                3p
                   -1 :              -0.00003576205766
                   +0 :              -0.00008808885277
                   +1 :              -0.00010827328371
                3d
                   -2 :               0.00000376709042
                   -1 :              -0.00000990185551
                   +0 :              -0.00000946644067
                   +1 :              -0.00000631423404
                   +2 :               0.00000135202814
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000251508671
                2s
                   +0 :               0.00004755329479
                3s
                   +0 :               0.00003168579522
                2p
                   -1 :               0.00012842637661
                   +0 :               0.00011632528841
                   +1 :               0.00002655322650
                3p
                   -1 :              -0.00012733697437
                   +0 :               0.00002081349741
                   +1 :               0.00004236590883
                3d
                   -2 :              -0.00000300656676
                   -1 :              -0.00000489430817
                   +0 :              -0.00000257073070
                   +1 :               0.00001251714609
                   +2 :              -0.00000376310513
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 28)  npairs=  14
              1 vec=     0.209286      3.115717      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00338445946262
                2s
                   +0 :               0.06230440190328
                3s
                   +0 :              -0.00471331948863
                2p
                   -1 :               0.02923749980289
                   +0 :               0.03114679208050
                   +1 :               0.00478105490073
                3p
                   -1 :              -0.00172797991484
                   +0 :              -0.00022551886058
                   +1 :              -0.00203077698018
                3d
                   -2 :               0.00073437997998
                   -1 :               0.00350363577526
                   +0 :               0.00131813065714
                   +1 :               0.00094083903665
                   +2 :              -0.00143816984842
              2 vec=     0.209286     -5.868041      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00187329362701
                2s
                   +0 :               0.01219236217082
                3s
                   +0 :              -0.00685584387786
                2p
                   -1 :              -0.01411592621120
                   +0 :               0.00554062060820
                   +1 :               0.00099552185394
                3p
                   -1 :               0.01026421505912
                   +0 :              -0.00473941973594
                   +1 :              -0.00044233286369
                3d
                   -2 :               0.00003453542613
                   -1 :               0.00051428301531
                   +0 :               0.00038210534816
                   +1 :               0.00001692564715
                   +2 :               0.00066322807913
              3 vec=    -7.570876     -1.376162      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00002361861899
                2s
                   +0 :               0.00033898092553
                3s
                   +0 :               0.00020367325228
                2p
                   -1 :               0.00136997067467
                   +0 :              -0.00325010852515
                   +1 :              -0.00574934485531
                3p
                   -1 :              -0.00071459326979
                   +0 :               0.00049731514401
                   +1 :               0.00232720835049
                3d
                   -2 :              -0.00003623147629
                   -1 :               0.00001303424295
                   +0 :              -0.00012699637490
                   +1 :               0.00021286658766
                   +2 :               0.00009615119848
              4 vec=     7.989449     -1.376162      4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00009549575207
                2s
                   +0 :               0.00063011376787
                3s
                   +0 :              -0.00006209885491
                2p
                   -1 :               0.00117019519223
                   +0 :              -0.00213583729739
                   +1 :               0.00197691167516
                3p
                   -1 :              -0.00085630545742
                   +0 :               0.00038490879883
                   +1 :               0.00069523224134
                3d
                   -2 :              -0.00010171035811
                   -1 :              -0.00000574765358
                   +0 :              -0.00016346149764
                   +1 :              -0.00007141019885
                   +2 :               0.00023959282584
              5 vec=    -7.570876      7.607596      4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00008945799839
                2s
                   +0 :               0.00104741500402
                3s
                   +0 :              -0.00025556374929
                2p
                   -1 :               0.00080824961395
                   +0 :              -0.00005102302066
                   +1 :              -0.00021734493277
                3p
                   -1 :              -0.00060727938300
                   +0 :               0.00002317833263
                   +1 :              -0.00010921228594
                3d
                   -2 :               0.00005621919702
                   -1 :              -0.00002560265588
                   +0 :               0.00002552563560
                   +1 :               0.00001370664154
                   +2 :               0.00003755531731
              6 vec=     7.989449      7.607596      4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00011887363723
                2s
                   +0 :               0.00086525495887
                3s
                   +0 :              -0.00034729792497
                2p
                   -1 :               0.00012837854277
                   +0 :              -0.00033860997093
                   +1 :               0.00098387284456
                3p
                   -1 :              -0.00022599142067
                   +0 :               0.00020499492574
                   +1 :              -0.00077668042004
                3d
                   -2 :              -0.00007025909958
                   -1 :              -0.00000729636515
                   +0 :               0.00002520202618
                   +1 :               0.00000294724658
                   +2 :               0.00001150512908
              7 vec=     0.209286     12.099475      4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00005072990550
                2s
                   +0 :               0.00066165936234
                3s
                   +0 :              -0.00007146888879
                2p
                   -1 :               0.00011266331000
                   +0 :               0.00039434661498
                   +1 :              -0.00023732146811
                3p
                   -1 :               0.00007893866944
                   +0 :              -0.00012990849600
                   +1 :               0.00011269251621
                3d
                   -2 :               0.00002266693060
                   -1 :              -0.00001332367656
                   +0 :               0.00001038741888
                   +1 :               0.00002373849247
                   +2 :               0.00003057547635
              8 vec=    -7.570876    -10.359920      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00001816079777
                2s
                   +0 :               0.00003063016720
                3s
                   +0 :               0.00008751048120
                2p
                   -1 :              -0.00010113063602
                   +0 :               0.00012411378884
                   +1 :              -0.00006751893369
                3p
                   -1 :              -0.00011410399381
                   +0 :              -0.00004458548118
                   +1 :              -0.00008601934137
                3d
                   -2 :               0.00002861330267
                   -1 :               0.00000266031028
                   +0 :              -0.00003529432008
                   +1 :              -0.00000466109264
                   +2 :              -0.00001153402171
              9 vec=     7.989449    -10.359920      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00005445098127
                2s
                   +0 :              -0.00036010267388
                3s
                   +0 :               0.00011395389376
                2p
                   -1 :               0.00012840904095
                   +0 :              -0.00009147747979
                   +1 :               0.00034768193569
                3p
                   -1 :              -0.00007769858137
                   +0 :               0.00009140957789
                   +1 :              -0.00025989216097
                3d
                   -2 :              -0.00000089864420
                   -1 :              -0.00002080057746
                   +0 :              -0.00001920910594
                   +1 :              -0.00000494611492
                   +2 :               0.00002194626983
             10 vec=     0.209286    -14.851799      4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00006083563745
                2s
                   +0 :               0.00047529029821
                3s
                   +0 :              -0.00014468229040
                2p
                   -1 :              -0.00027590445774
                   +0 :               0.00037462083493
                   +1 :              -0.00000153896384
                3p
                   -1 :               0.00016552817835
                   +0 :              -0.00016512538581
                   +1 :               0.00002995507150
                3d
                   -2 :              -0.00000710429173
                   -1 :               0.00000688916198
                   +0 :              -0.00001204812531
                   +1 :              -0.00000826859069
                   +2 :              -0.00001317726875
             11 vec=   -15.351039      3.115717      4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000990507354
                2s
                   +0 :               0.00004334460528
                3s
                   +0 :              -0.00000917096018
                2p
                   -1 :               0.00000009955594
                   +0 :              -0.00005678700980
                   +1 :              -0.00000836060171
                3p
                   -1 :               0.00003404659128
                   +0 :               0.00002182152752
                   +1 :              -0.00003609520049
                3d
                   -2 :              -0.00000703914945
                   -1 :               0.00000639853985
                   +0 :              -0.00001322519568
                   +1 :              -0.00000655948463
                   +2 :              -0.00000320722774
             12 vec=    15.769612      3.115717      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00003154114204
                2s
                   +0 :              -0.00024325898814
                3s
                   +0 :               0.00007902098738
                2p
                   -1 :               0.00002047409463
                   +0 :               0.00001562472892
                   +1 :              -0.00011307439834
                3p
                   -1 :              -0.00001881369769
                   +0 :              -0.00005985654215
                   +1 :               0.00007370984991
                3d
                   -2 :               0.00000048143872
                   -1 :              -0.00000581583271
                   +0 :              -0.00000431751353
                   +1 :              -0.00000123416990
                   +2 :               0.00000064675957
             13 vec=   -15.351039     -5.868041      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00002182693989
                2s
                   +0 :              -0.00026552306105
                3s
                   +0 :               0.00004065068815
                2p
                   -1 :               0.00004546291706
                   +0 :              -0.00016672156217
                   +1 :               0.00012916686626
                3p
                   -1 :              -0.00005037454418
                   +0 :               0.00009353019806
                   +1 :              -0.00003867024113
                3d
                   -2 :               0.00000135688744
                   -1 :              -0.00000360942210
                   +0 :               0.00000338620336
                   +1 :               0.00000199890250
                   +2 :               0.00000231987114
             14 vec=    15.769612     -5.868041      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00003099678786
                2s
                   +0 :              -0.00031881956545
                3s
                   +0 :               0.00005414241858
                2p
                   -1 :              -0.00003263478132
                   +0 :              -0.00000913737471
                   +1 :              -0.00009956995945
                3p
                   -1 :               0.00001136123693
                   +0 :              -0.00005536376525
                   +1 :               0.00000206577767
                3d
                   -2 :               0.00000131464080
                   -1 :               0.00000064193162
                   +0 :              -0.00000220684645
                   +1 :              -0.00000378070149
                   +2 :              -0.00000415806620
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 29)  npairs=  14
              1 vec=    -2.802674     -1.376162      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00280189371072
                2s
                   +0 :               0.06256074457812
                3s
                   +0 :              -0.00446679099523
                2p
                   -1 :              -0.01709725229403
                   +0 :               0.02275916691657
                   +1 :              -0.02381213142266
                3p
                   -1 :               0.00372387779689
                   +0 :               0.00381827265978
                   +1 :              -0.00247315362746
                3d
                   -2 :               0.00100886435488
                   -1 :              -0.00221075715895
                   +0 :               0.00143375874473
                   +1 :              -0.00263860628796
                   +2 :               0.00066199694914
              2 vec=     4.977489      3.115717      4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00016016862560
                2s
                   +0 :              -0.00157646856535
                3s
                   +0 :               0.00086513393643
                2p
                   -1 :              -0.00130555040899
                   +0 :               0.00129924137301
                   +1 :               0.00116491249087
                3p
                   -1 :               0.00151821396441
                   +0 :              -0.00076124514493
                   +1 :               0.00030482662655
                3d
                   -2 :              -0.00009381596852
                   -1 :              -0.00001830114437
                   +0 :              -0.00028749380816
                   +1 :              -0.00012763658037
                   +2 :              -0.00005572949010
              3 vec=     4.977489     -5.868041      4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00054861621542
                2s
                   +0 :              -0.00565364428717
                3s
                   +0 :               0.00111666096955
                2p
                   -1 :              -0.00151104651059
                   +0 :              -0.00395258851772
                   +1 :              -0.00313702952606
                3p
                   -1 :               0.00036255892569
                   +0 :               0.00044156882168
                   +1 :               0.00138677291028
                3d
                   -2 :               0.00002777571292
                   -1 :               0.00033598777724
                   +0 :              -0.00024659301098
                   +1 :              -0.00011569920518
                   +2 :              -0.00016236066666
              4 vec=    -2.802674      7.607596      4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00003522309634
                2s
                   +0 :               0.00043372421775
                3s
                   +0 :               0.00047794566284
                2p
                   -1 :               0.00280646389100
                   +0 :              -0.00134144330729
                   +1 :              -0.00094105190786
                3p
                   -1 :              -0.00167866759781
                   +0 :               0.00014277549242
                   +1 :              -0.00057012274106
                3d
                   -2 :              -0.00014598674389
                   -1 :              -0.00015137928294
                   +0 :               0.00000611324478
                   +1 :               0.00008478692371
                   +2 :               0.00008532046562
              5 vec=    -2.802674    -10.359920      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00027963778250
                2s
                   +0 :              -0.00179584214767
                3s
                   +0 :               0.00080637911663
                2p
                   -1 :               0.00120676383845
                   +0 :               0.00065558760626
                   +1 :               0.00057889690200
                3p
                   -1 :              -0.00079080414213
                   +0 :              -0.00060203294101
                   +1 :              -0.00056895886808
                3d
                   -2 :               0.00006963289426
                   -1 :               0.00002431535774
                   +0 :              -0.00005275332502
                   +1 :               0.00001577447781
                   +2 :               0.00002488126005
              6 vec=   -10.582837      3.115717      4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00003413484277
                2s
                   +0 :              -0.00002884689955
                3s
                   +0 :               0.00021297873829
                2p
                   -1 :               0.00000909392782
                   +0 :              -0.00026657794098
                   +1 :              -0.00022787501369
                3p
                   -1 :               0.00009937731604
                   +0 :               0.00015262707975
                   +1 :              -0.00004421150833
                3d
                   -2 :              -0.00001018607931
                   -1 :               0.00001099909099
                   +0 :              -0.00002800408989
                   +1 :               0.00000078064828
                   +2 :               0.00001107325748
              7 vec=   -10.582837     -5.868041      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00009987089120
                2s
                   +0 :              -0.00069332877295
                3s
                   +0 :               0.00027813125551
                2p
                   -1 :              -0.00016694374119
                   +0 :              -0.00011038624281
                   +1 :               0.00059708442423
                3p
                   -1 :               0.00003582979948
                   +0 :               0.00024822823411
                   +1 :              -0.00032071078408
                3d
                   -2 :               0.00000001981125
                   -1 :              -0.00002413842091
                   +0 :              -0.00003649140329
                   +1 :              -0.00001662889533
                   +2 :              -0.00000537937448
              8 vec=    12.757651     -1.376162      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00007499686362
                2s
                   +0 :               0.00075554998868
                3s
                   +0 :              -0.00021346322965
                2p
                   -1 :               0.00004157349639
                   +0 :              -0.00002158030203
                   +1 :               0.00100219885793
                3p
                   -1 :              -0.00011353238103
                   +0 :               0.00003132859032
                   +1 :              -0.00035523620052
                3d
                   -2 :              -0.00003237534652
                   -1 :               0.00001125795228
                   +0 :              -0.00001481830893
                   +1 :               0.00001221530004
                   +2 :               0.00002285492152
              9 vec=     4.977489     12.099475      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00002461940609
                2s
                   +0 :               0.00067593445737
                3s
                   +0 :               0.00008640916657
                2p
                   -1 :               0.00065898119933
                   +0 :               0.00011807099484
                   +1 :               0.00047202922372
                3p
                   -1 :              -0.00017602949968
                   +0 :              -0.00008516211706
                   +1 :              -0.00016919474650
                3d
                   -2 :               0.00000849833802
                   -1 :              -0.00003715945315
                   +0 :              -0.00000219087900
                   +1 :               0.00000240425553
                   +2 :              -0.00002018142562
             10 vec=    12.757651      7.607596      4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00004443892393
                2s
                   +0 :              -0.00025484070876
                3s
                   +0 :               0.00011977169841
                2p
                   -1 :              -0.00009070784860
                   +0 :              -0.00008511427460
                   +1 :              -0.00008343788684
                3p
                   -1 :               0.00005098380953
                   +0 :               0.00004242081315
                   +1 :               0.00011416310975
                3d
                   -2 :               0.00000636425257
                   -1 :               0.00000182203478
                   +0 :               0.00000155141851
                   +1 :               0.00000415055417
                   +2 :               0.00000740509107
             11 vec=     4.977489    -14.851799      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00002412083126
                2s
                   +0 :              -0.00018526188170
                3s
                   +0 :               0.00007374052012
                2p
                   -1 :               0.00021679254635
                   +0 :              -0.00002133620839
                   +1 :              -0.00011717257927
                3p
                   -1 :              -0.00015500407665
                   +0 :               0.00001293682629
                   +1 :               0.00017987832088
                3d
                   -2 :              -0.00002222000889
                   -1 :               0.00000524589747
                   +0 :              -0.00000585112224
                   +1 :               0.00000781429451
                   +2 :              -0.00000224993093
             12 vec=   -10.582837     12.099475      4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00000913223005
                2s
                   +0 :               0.00012005270879
                3s
                   +0 :              -0.00000151570811
                2p
                   -1 :              -0.00000077230328
                   +0 :              -0.00008881938557
                   +1 :               0.00004340333219
                3p
                   -1 :               0.00003691440443
                   +0 :               0.00004089269394
                   +1 :              -0.00011994045719
                3d
                   -2 :              -0.00001049176199
                   -1 :              -0.00000134351554
                   +0 :              -0.00000877053025
                   +1 :               0.00000312508140
                   +2 :              -0.00000154038865
             13 vec=    12.757651    -10.359920      4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00001521350007
                2s
                   +0 :              -0.00013753452129
                3s
                   +0 :               0.00003191227555
                2p
                   -1 :               0.00001097543337
                   +0 :               0.00007335636610
                   +1 :              -0.00003008528031
                3p
                   -1 :              -0.00000445181290
                   +0 :              -0.00004058292465
                   +1 :               0.00005401747800
                3d
                   -2 :               0.00000319295132
                   -1 :               0.00000144919588
                   +0 :              -0.00000172857250
                   +1 :              -0.00000355855434
                   +2 :               0.00000140480157
             14 vec=    -2.802674     16.591354      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00001799848837
                2s
                   +0 :               0.00022257736358
                3s
                   +0 :              -0.00001326225675
                2p
                   -1 :               0.00009823797384
                   +0 :              -0.00005810931175
                   +1 :               0.00009640118161
                3p
                   -1 :              -0.00000980571773
                   +0 :               0.00002777687720
                   +1 :              -0.00008594651133
                3d
                   -2 :              -0.00000151643102
                   -1 :              -0.00000463153649
                   +0 :               0.00000206868415
                   +1 :               0.00000095821350
                   +2 :              -0.00000635287112
WF             site_B          number of pairs
WF( 13)=[O_3_2pz]  to site O ( 30)  npairs=  14
              1 vec=     2.593388     -1.013667      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00298334776142
                2s
                   +0 :               0.08434529336982
                3s
                   +0 :              -0.00524634448304
                2p
                   -1 :              -0.01447220364054
                   +0 :               0.04692110623882
                   +1 :               0.03794680939157
                3p
                   -1 :               0.00207067054366
                   +0 :              -0.00755491572467
                   +1 :              -0.00493396207954
                3d
                   -2 :              -0.00150358943395
                   -1 :              -0.00077529074175
                   +0 :               0.00090738498739
                   +1 :               0.00174140230951
                   +2 :               0.00182719287779
              2 vec=    -5.186775      3.478212      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00039237266278
                2s
                   +0 :               0.00320071484794
                3s
                   +0 :              -0.00120392626363
                2p
                   -1 :               0.00029666600695
                   +0 :               0.00147365969642
                   +1 :              -0.00478287732080
                3p
                   -1 :               0.00045177671102
                   +0 :              -0.00031787032165
                   +1 :               0.00256317851388
                3d
                   -2 :               0.00023444581723
                   -1 :              -0.00002080284866
                   +0 :               0.00047536222643
                   +1 :               0.00012463515899
                   +2 :              -0.00004228103655
              3 vec=    -5.186775     -5.505546      4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00006318222871
                2s
                   +0 :              -0.00199779509210
                3s
                   +0 :              -0.00056337067565
                2p
                   -1 :              -0.00280250249689
                   +0 :              -0.00498277632059
                   +1 :              -0.00056856488555
                3p
                   -1 :               0.00063042417593
                   +0 :               0.00073733086020
                   +1 :               0.00180734452405
                3d
                   -2 :              -0.00004128700505
                   -1 :               0.00025613983968
                   +0 :              -0.00013482747955
                   +1 :               0.00034502083287
                   +2 :              -0.00026753466010
              4 vec=     2.593388      7.970091      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00041452917291
                2s
                   +0 :               0.00326124940560
                3s
                   +0 :              -0.00093446634691
                2p
                   -1 :               0.00260026074692
                   +0 :               0.00059945357443
                   +1 :               0.00171792398298
                3p
                   -1 :              -0.00082670952743
                   +0 :              -0.00157785028531
                   +1 :              -0.00016081466991
                3d
                   -2 :               0.00008734220612
                   -1 :              -0.00017807579789
                   +0 :              -0.00000989693109
                   +1 :              -0.00009673507959
                   +2 :              -0.00000788530803
              5 vec=     2.593388     -9.997425      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00019326987611
                2s
                   +0 :              -0.00113295178627
                3s
                   +0 :               0.00034562849574
                2p
                   -1 :               0.00000631236423
                   +0 :               0.00120568924203
                   +1 :               0.00128108777958
                3p
                   -1 :               0.00024521856690
                   +0 :              -0.00126829163872
                   +1 :              -0.00101843757898
                3d
                   -2 :               0.00011250243515
                   -1 :               0.00004546894061
                   +0 :               0.00007483917589
                   +1 :              -0.00003943974895
                   +2 :               0.00007093670036
              6 vec=    10.373550      3.478212      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00002180979487
                2s
                   +0 :               0.00001051869261
                3s
                   +0 :               0.00003682696407
                2p
                   -1 :               0.00040244728521
                   +0 :              -0.00007914957705
                   +1 :               0.00024960170738
                3p
                   -1 :              -0.00041705936068
                   +0 :              -0.00011165633200
                   +1 :              -0.00030514230852
                3d
                   -2 :              -0.00000032552137
                   -1 :               0.00002641596215
                   +0 :               0.00000091356011
                   +1 :               0.00003079686857
                   +2 :              -0.00001467463387
              7 vec=    10.373550     -5.505546      4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00003299753038
                2s
                   +0 :              -0.00032679265771
                3s
                   +0 :              -0.00005141352913
                2p
                   -1 :              -0.00053641490893
                   +0 :               0.00008128605757
                   +1 :              -0.00030726640776
                3p
                   -1 :               0.00027397003679
                   +0 :               0.00001712167078
                   +1 :              -0.00003381518869
                3d
                   -2 :              -0.00000326559661
                   -1 :               0.00000322692713
                   +0 :               0.00001390939722
                   +1 :              -0.00000406618933
                   +2 :              -0.00003129692016
              8 vec=   -12.966938     -1.013667      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00000023978340
                2s
                   +0 :               0.00025539119646
                3s
                   +0 :               0.00016880975634
                2p
                   -1 :               0.00016608551655
                   +0 :               0.00016436712166
                   +1 :              -0.00015384006664
                3p
                   -1 :              -0.00016881599399
                   +0 :               0.00000726308085
                   +1 :              -0.00044007437911
                3d
                   -2 :               0.00000820250421
                   -1 :              -0.00000140600315
                   +0 :              -0.00001902751486
                   +1 :              -0.00003419770601
                   +2 :               0.00006831058498
              9 vec=    -5.186775     12.461970      4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00004997331386
                2s
                   +0 :               0.00060431004587
                3s
                   +0 :              -0.00002590509852
                2p
                   -1 :               0.00007470611516
                   +0 :              -0.00003015925988
                   +1 :              -0.00010198946649
                3p
                   -1 :               0.00021311339207
                   +0 :               0.00006397421346
                   +1 :              -0.00004088386412
                3d
                   -2 :              -0.00001625946294
                   -1 :               0.00000213991024
                   +0 :              -0.00002497879795
                   +1 :              -0.00002169905326
                   +2 :              -0.00001706141528
             10 vec=   -12.966938      7.970091      4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000278803338
                2s
                   +0 :               0.00009616050642
                3s
                   +0 :              -0.00000420460934
                2p
                   -1 :              -0.00003263716415
                   +0 :               0.00005295864035
                   +1 :              -0.00009923537993
                3p
                   -1 :               0.00006610539128
                   +0 :              -0.00005708699766
                   +1 :              -0.00000608115855
                3d
                   -2 :              -0.00000486597049
                   -1 :              -0.00000123200047
                   +0 :              -0.00000019476021
                   +1 :               0.00000077982614
                   +2 :               0.00000082832384
             11 vec=    -5.186775    -14.489304      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00003556344745
                2s
                   +0 :               0.00016309670967
                3s
                   +0 :              -0.00009317981914
                2p
                   -1 :               0.00011406214315
                   +0 :               0.00015223251973
                   +1 :               0.00004957287892
                3p
                   -1 :              -0.00005698679346
                   +0 :              -0.00010930081555
                   +1 :              -0.00005057126729
                3d
                   -2 :              -0.00000455779399
                   -1 :               0.00002017666154
                   +0 :              -0.00000255084890
                   +1 :               0.00000653982697
                   +2 :              -0.00000013717039
             12 vec=    10.373550     12.461970      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00001219828488
                2s
                   +0 :              -0.00002453658354
                3s
                   +0 :               0.00006557611013
                2p
                   -1 :              -0.00004493179026
                   +0 :              -0.00004537737510
                   +1 :               0.00009608528195
                3p
                   -1 :               0.00001864922204
                   +0 :               0.00001478175954
                   +1 :              -0.00000153340754
                3d
                   -2 :              -0.00000016001467
                   -1 :              -0.00000161007943
                   +0 :              -0.00000428657075
                   +1 :               0.00000374188348
                   +2 :              -0.00000114118034
             13 vec=   -12.966938     -9.997425      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00000028900543
                2s
                   +0 :              -0.00005948811542
                3s
                   +0 :              -0.00000576662547
                2p
                   -1 :               0.00002521848285
                   +0 :              -0.00003086484117
                   +1 :               0.00003651380754
                3p
                   -1 :               0.00000545857674
                   +0 :               0.00004140377694
                   +1 :              -0.00005680164019
                3d
                   -2 :               0.00000667431687
                   -1 :              -0.00000491531081
                   +0 :               0.00000157942693
                   +1 :              -0.00000422309055
                   +2 :               0.00000681948258
             14 vec=     2.593388     16.953849      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00002462944775
                2s
                   +0 :               0.00024643356273
                3s
                   +0 :              -0.00003834562165
                2p
                   -1 :               0.00007157266233
                   +0 :              -0.00000095067664
                   +1 :              -0.00005174955279
                3p
                   -1 :              -0.00000584910036
                   +0 :              -0.00000663704073
                   +1 :               0.00002658886708
                3d
                   -2 :              -0.00000658879784
                   -1 :              -0.00000180355398
                   +0 :              -0.00000059016512
                   +1 :              -0.00000411177732
                   +2 :               0.00000371589606
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al(  1)  npairs=  14
              1 vec=     0.000000     -2.752623      2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.00315737909741
                2p
                   -1 :               0.00242177748665
                   +0 :              -0.00073217997247
                   +1 :              -0.00302323317710
                3s
                   +0 :              -0.00436473991427
                4s
                   +0 :              -0.00318600639977
                3p
                   -1 :              -0.00003698714974
                   +0 :              -0.00061419483204
                   +1 :              -0.02993738465572
                4p
                   -1 :               0.00315987465355
                   +0 :              -0.00147087702062
                   +1 :               0.00161507763309
                3d
                   -2 :               0.02180424499097
                   -1 :               0.00205020656536
                   +0 :               0.00106963458858
                   +1 :              -0.01924806455662
                   +2 :               0.00397780771694
              2 vec=     0.000000      6.231135      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00381813653498
                2p
                   -1 :              -0.00195361547641
                   +0 :              -0.00097469790358
                   +1 :               0.00073157906031
                3s
                   +0 :               0.01799883796359
                4s
                   +0 :              -0.00787462586434
                3p
                   -1 :               0.01141670659839
                   +0 :               0.00784208832907
                   +1 :              -0.00313074623125
                4p
                   -1 :              -0.00365969855341
                   +0 :              -0.00256218485326
                   +1 :               0.00085975124528
                3d
                   -2 :               0.00138798386489
                   -1 :               0.00162786974029
                   +0 :              -0.00002196760106
                   +1 :              -0.00208778969670
                   +2 :              -0.00047696104250
              3 vec=    -7.780163      1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00118999660360
                2p
                   -1 :              -0.00011465208674
                   +0 :               0.00021473313013
                   +1 :               0.00108261694561
                3s
                   +0 :              -0.00122063254826
                4s
                   +0 :              -0.00133147624559
                3p
                   -1 :              -0.00157350906870
                   +0 :              -0.00615324856197
                   +1 :              -0.00628779583538
                4p
                   -1 :              -0.00080542548109
                   +0 :               0.00036269901220
                   +1 :               0.00176292712127
                3d
                   -2 :              -0.00012044825126
                   -1 :              -0.00195431201503
                   +0 :              -0.00321051613950
                   +1 :               0.00072384041608
                   +2 :               0.00210956464592
              4 vec=     7.780163      1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00108012755756
                2p
                   -1 :              -0.00070080379598
                   +0 :              -0.00058377808870
                   +1 :              -0.00052365580806
                3s
                   +0 :               0.00887744472812
                4s
                   +0 :              -0.00005240375936
                3p
                   -1 :               0.00750057724359
                   +0 :               0.00862948894604
                   +1 :               0.00041846608081
                4p
                   -1 :              -0.00132408086452
                   +0 :              -0.00080279094705
                   +1 :               0.00094110006589
                3d
                   -2 :               0.00082017617890
                   -1 :               0.00232969671052
                   +0 :               0.00148709824511
                   +1 :               0.00078704018408
                   +2 :              -0.00198198737046
              5 vec=    -7.780163     -7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00053861463083
                2p
                   -1 :               0.00039343487119
                   +0 :              -0.00008802118431
                   +1 :               0.00021764486561
                3s
                   +0 :               0.00006487010231
                4s
                   +0 :              -0.00000720705992
                3p
                   -1 :              -0.00098624361607
                   +0 :               0.00056872392588
                   +1 :               0.00017072709292
                4p
                   -1 :               0.00006869352655
                   +0 :              -0.00019164807162
                   +1 :              -0.00003429682711
                3d
                   -2 :               0.00005440065589
                   -1 :              -0.00011400812069
                   +0 :              -0.00020972354681
                   +1 :               0.00010410262214
                   +2 :              -0.00007196374623
              6 vec=     7.780163     -7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00013749617081
                2p
                   -1 :               0.00019388896306
                   +0 :              -0.00003909562342
                   +1 :               0.00012274645483
                3s
                   +0 :               0.00006257678672
                4s
                   +0 :               0.00027769754367
                3p
                   -1 :              -0.00121358631148
                   +0 :               0.00031593971768
                   +1 :              -0.00018647068384
                4p
                   -1 :               0.00020800688465
                   +0 :              -0.00001862958870
                   +1 :               0.00009005400800
                3d
                   -2 :              -0.00020274414661
                   -1 :              -0.00001011590651
                   +0 :              -0.00011268941333
                   +1 :               0.00029497537221
                   +2 :              -0.00030099290736
              7 vec=     0.000000    -11.736381      2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00005677049944
                2p
                   -1 :              -0.00009778085703
                   +0 :               0.00011165220297
                   +1 :               0.00001591032121
                3s
                   +0 :              -0.00032157940759
                4s
                   +0 :               0.00015562623421
                3p
                   -1 :               0.00044146806788
                   +0 :              -0.00047642999577
                   +1 :               0.00002928610530
                4p
                   -1 :              -0.00012743778024
                   +0 :               0.00008144143844
                   +1 :               0.00010802142781
                3d
                   -2 :              -0.00026013719334
                   -1 :               0.00003403657175
                   +0 :              -0.00002568820085
                   +1 :               0.00011762623402
                   +2 :               0.00022924896419
              8 vec=    -7.780163     10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00002498799740
                2p
                   -1 :              -0.00003745494135
                   +0 :               0.00005101179833
                   +1 :              -0.00008308542810
                3s
                   +0 :              -0.00097740859238
                4s
                   +0 :               0.00026281326851
                3p
                   -1 :              -0.00004964094021
                   +0 :              -0.00072709036646
                   +1 :               0.00089087142771
                4p
                   -1 :               0.00008197747293
                   +0 :               0.00013654281537
                   +1 :              -0.00018366007396
                3d
                   -2 :               0.00011145034009
                   -1 :              -0.00017934810657
                   +0 :              -0.00015656143098
                   +1 :               0.00025583272380
                   +2 :              -0.00011746898499
              9 vec=     7.780163     10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00002466998834
                2p
                   -1 :              -0.00017648357012
                   +0 :               0.00017592961957
                   +1 :               0.00027728295303
                3s
                   +0 :               0.00040095048087
                4s
                   +0 :               0.00003193016218
                3p
                   -1 :               0.00102536700153
                   +0 :              -0.00019736953907
                   +1 :              -0.00112302969847
                4p
                   -1 :              -0.00026303922121
                   +0 :               0.00000710883621
                   +1 :               0.00037840960317
                3d
                   -2 :               0.00002083728470
                   -1 :               0.00001134743104
                   +0 :              -0.00000838452430
                   +1 :               0.00000230776995
                   +2 :              -0.00041308535256
             10 vec=     0.000000     15.214893      2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00005421949950
                2p
                   -1 :               0.00003179392481
                   +0 :               0.00000785192247
                   +1 :              -0.00001715566570
                3s
                   +0 :              -0.00010304615684
                4s
                   +0 :              -0.00003112371211
                3p
                   -1 :              -0.00005428821830
                   +0 :              -0.00004998454690
                   +1 :              -0.00000762147880
                4p
                   -1 :              -0.00002418435915
                   +0 :               0.00002135567616
                   +1 :               0.00003208365551
                3d
                   -2 :               0.00000030507805
                   -1 :              -0.00001760333802
                   +0 :               0.00004102044715
                   +1 :              -0.00004297774506
                   +2 :              -0.00001315846784
             11 vec=   -15.560325     -2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00007078829482
                2p
                   -1 :              -0.00003904812456
                   +0 :              -0.00004214725627
                   +1 :              -0.00003937993857
                3s
                   +0 :              -0.00018449711131
                4s
                   +0 :               0.00002081210868
                3p
                   -1 :               0.00022194272673
                   +0 :               0.00032642761643
                   +1 :               0.00009292361336
                4p
                   -1 :              -0.00003996199745
                   +0 :              -0.00007308037171
                   +1 :              -0.00001049235476
                3d
                   -2 :              -0.00001577638557
                   -1 :              -0.00003473382236
                   +0 :               0.00001917654721
                   +1 :              -0.00004327725038
                   +2 :               0.00003066554996
             12 vec=    15.560325     -2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00007618058821
                2p
                   -1 :               0.00004563867204
                   +0 :               0.00002377675723
                   +1 :              -0.00003618737293
                3s
                   +0 :               0.00031284515064
                4s
                   +0 :              -0.00013730483041
                3p
                   -1 :              -0.00016951381090
                   +0 :              -0.00013243303555
                   +1 :               0.00018872876754
                4p
                   -1 :               0.00003621498298
                   +0 :               0.00002451419770
                   +1 :              -0.00007303632836
                3d
                   -2 :              -0.00000199648998
                   -1 :              -0.00005486501553
                   +0 :               0.00000329649428
                   +1 :              -0.00004624349311
                   +2 :               0.00004619458660
             13 vec=   -15.560325      6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00010930686731
                2p
                   -1 :              -0.00000418800130
                   +0 :              -0.00002393429486
                   +1 :               0.00004720092498
                3s
                   +0 :               0.00036547893046
                4s
                   +0 :              -0.00011336175110
                3p
                   -1 :               0.00004349735737
                   +0 :               0.00014834374017
                   +1 :              -0.00022036100887
                4p
                   -1 :              -0.00000496687782
                   +0 :              -0.00004834164243
                   +1 :               0.00005116174629
                3d
                   -2 :              -0.00001342664328
                   -1 :               0.00003072335019
                   +0 :              -0.00001716922772
                   +1 :               0.00000547640070
                   +2 :               0.00001438485897
             14 vec=    15.560325      6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00006307570824
                2p
                   -1 :               0.00001960738027
                   +0 :               0.00004649324232
                   +1 :               0.00000597788443
                3s
                   +0 :              -0.00019281319431
                4s
                   +0 :               0.00003542961252
                3p
                   -1 :              -0.00007718928838
                   +0 :              -0.00022484214437
                   +1 :              -0.00004048090200
                4p
                   -1 :              -0.00002108948144
                   +0 :               0.00005327398074
                   +1 :               0.00000324729315
                3d
                   -2 :               0.00000761225076
                   -1 :              -0.00001717679347
                   +0 :              -0.00001791098053
                   +1 :              -0.00001095753044
                   +2 :              -0.00001607101159
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al(  2)  npairs=  13
              1 vec=     0.000000     -2.752623      9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00012734789117
                2p
                   -1 :              -0.00011655762027
                   +0 :               0.00007295470408
                   +1 :              -0.00001978500289
                3s
                   +0 :               0.00076708442349
                4s
                   +0 :              -0.00028932518942
                3p
                   -1 :               0.00055102053059
                   +0 :              -0.00004402200860
                   +1 :              -0.00011846560029
                4p
                   -1 :              -0.00021500379510
                   +0 :              -0.00008339264136
                   +1 :              -0.00001289820066
                3d
                   -2 :               0.00002691962520
                   -1 :               0.00004383668307
                   +0 :              -0.00010057242467
                   +1 :              -0.00002381665628
                   +2 :              -0.00007282844657
              2 vec=     0.000000      6.231135      9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00018939466666
                2p
                   -1 :              -0.00030261459331
                   +0 :               0.00002009831448
                   +1 :               0.00036482335963
                3s
                   +0 :               0.00046107066462
                4s
                   +0 :              -0.00011292972428
                3p
                   -1 :               0.00156330314317
                   +0 :              -0.00013044562304
                   +1 :              -0.00162222513016
                4p
                   -1 :              -0.00045456294956
                   +0 :              -0.00007879334011
                   +1 :               0.00038082069476
                3d
                   -2 :               0.00006488777567
                   -1 :               0.00013536154038
                   +0 :              -0.00017607815950
                   +1 :              -0.00039267499217
                   +2 :              -0.00003308780334
              3 vec=    -7.780163      1.739256      9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00000367155710
                2p
                   -1 :               0.00009056888670
                   +0 :              -0.00002149145343
                   +1 :               0.00015893662390
                3s
                   +0 :              -0.00138019185963
                4s
                   +0 :               0.00014688659789
                3p
                   -1 :              -0.00094563794077
                   +0 :              -0.00018819869162
                   +1 :               0.00041602275343
                4p
                   -1 :               0.00030330818444
                   +0 :              -0.00000612278230
                   +1 :               0.00020359884585
                3d
                   -2 :               0.00008756773192
                   -1 :               0.00004518955983
                   +0 :               0.00017853776709
                   +1 :               0.00008663914262
                   +2 :              -0.00015015684763
              4 vec=     7.780163      1.739256      9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00003857771503
                2p
                   -1 :               0.00024154375960
                   +0 :               0.00010901702204
                   +1 :               0.00025563343969
                3s
                   +0 :               0.00159529418403
                4s
                   +0 :              -0.00002916415197
                3p
                   -1 :              -0.00004243576922
                   +0 :              -0.00022323462679
                   +1 :               0.00009244212425
                4p
                   -1 :               0.00005870468228
                   +0 :               0.00029749972156
                   +1 :               0.00019699003765
                3d
                   -2 :               0.00039988530206
                   -1 :              -0.00001772803854
                   +0 :              -0.00023750378416
                   +1 :              -0.00002329843586
                   +2 :              -0.00002671388124
              5 vec=    -7.780163     -7.244502      9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00004420500198
                2p
                   -1 :              -0.00014070948917
                   +0 :               0.00002375635001
                   +1 :               0.00003107475023
                3s
                   +0 :              -0.00020051398057
                4s
                   +0 :               0.00005640610452
                3p
                   -1 :               0.00075836742737
                   +0 :              -0.00018016977364
                   +1 :              -0.00035056665978
                4p
                   -1 :              -0.00012203701443
                   +0 :               0.00007575011490
                   +1 :               0.00006636211395
                3d
                   -2 :              -0.00001369599375
                   -1 :               0.00014318609477
                   +0 :               0.00001774671120
                   +1 :              -0.00005857077566
                   +2 :               0.00013993378713
              6 vec=     7.780163     -7.244502      9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00010937884385
                2p
                   -1 :               0.00009034464991
                   +0 :              -0.00003025202045
                   +1 :              -0.00003023545646
                3s
                   +0 :               0.00044671553269
                4s
                   +0 :              -0.00009313069943
                3p
                   -1 :              -0.00055727073207
                   +0 :               0.00020955029139
                   +1 :               0.00020611537764
                4p
                   -1 :               0.00005507949270
                   +0 :              -0.00005250507296
                   +1 :              -0.00008278313886
                3d
                   -2 :              -0.00011299314766
                   -1 :              -0.00014441912952
                   +0 :              -0.00004415713326
                   +1 :               0.00004785057085
                   +2 :              -0.00007446818706
              7 vec=     0.000000     -2.752623    -14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00000897798172
                2p
                   -1 :               0.00000192456058
                   +0 :              -0.00000624064512
                   +1 :              -0.00001412010515
                3s
                   +0 :              -0.00015483083499
                4s
                   +0 :               0.00007249531184
                3p
                   -1 :              -0.00005486117636
                   +0 :               0.00008106944442
                   +1 :               0.00010639810629
                4p
                   -1 :              -0.00001072291202
                   +0 :              -0.00004201802260
                   +1 :              -0.00000686607378
                3d
                   -2 :              -0.00001249110106
                   -1 :               0.00001826751232
                   +0 :              -0.00003867674379
                   +1 :              -0.00003347569556
                   +2 :              -0.00000667820025
              8 vec=     0.000000    -11.736381      9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00008930984399
                2p
                   -1 :               0.00006907516484
                   +0 :              -0.00002853849345
                   +1 :              -0.00002117636832
                3s
                   +0 :               0.00019046116241
                4s
                   +0 :              -0.00005453991179
                3p
                   -1 :              -0.00024830686752
                   +0 :               0.00007192345489
                   +1 :               0.00015988252475
                4p
                   -1 :               0.00005219931872
                   +0 :              -0.00002679301794
                   +1 :              -0.00001753710485
                3d
                   -2 :               0.00001065554735
                   -1 :              -0.00000994894170
                   +0 :              -0.00001873550335
                   +1 :               0.00000812267559
                   +2 :              -0.00005742228354
              9 vec=     0.000000      6.231135    -14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00008110938868
                2p
                   -1 :               0.00000582617337
                   +0 :               0.00000474452166
                   +1 :              -0.00004890002215
                3s
                   +0 :               0.00012807287474
                4s
                   +0 :               0.00001521607948
                3p
                   -1 :              -0.00006327508277
                   +0 :               0.00007590616914
                   +1 :               0.00021372669545
                4p
                   -1 :               0.00002297841104
                   +0 :              -0.00004252356124
                   +1 :              -0.00003605088703
                3d
                   -2 :              -0.00001425170940
                   -1 :               0.00005225091258
                   +0 :              -0.00007025861609
                   +1 :              -0.00001080794752
                   +2 :              -0.00007342486838
             10 vec=    -7.780163     10.723014      9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00003151750453
                2p
                   -1 :              -0.00000476752818
                   +0 :               0.00000551507290
                   +1 :               0.00000740126169
                3s
                   +0 :              -0.00026334314383
                4s
                   +0 :               0.00009509835549
                3p
                   -1 :              -0.00007970495950
                   +0 :              -0.00009208161891
                   +1 :               0.00001104981676
                4p
                   -1 :               0.00005173476672
                   +0 :               0.00005221371186
                   +1 :               0.00000709609267
                3d
                   -2 :              -0.00000600929432
                   -1 :               0.00001709938497
                   +0 :               0.00002265799952
                   +1 :               0.00000541864629
                   +2 :              -0.00003578834260
             11 vec=     7.780163     10.723014      9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00000317285714
                2p
                   -1 :               0.00004037439177
                   +0 :               0.00000396181386
                   +1 :               0.00003588806001
                3s
                   +0 :               0.00003806473126
                4s
                   +0 :               0.00002133279550
                3p
                   -1 :              -0.00016248098343
                   +0 :              -0.00001739284101
                   +1 :              -0.00010197969098
                4p
                   -1 :               0.00007205270653
                   +0 :               0.00000247088014
                   +1 :               0.00001229937288
                3d
                   -2 :              -0.00001066871053
                   -1 :              -0.00001510274838
                   +0 :              -0.00002095860971
                   +1 :              -0.00002284421322
                   +2 :               0.00006641370871
             12 vec=    -7.780163      1.739256    -14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00002670748847
                2p
                   -1 :               0.00003963069480
                   +0 :               0.00000464514223
                   +1 :               0.00002913054621
                3s
                   +0 :               0.00004852690038
                4s
                   +0 :              -0.00007382584668
                3p
                   -1 :              -0.00022374678035
                   +0 :              -0.00014892554882
                   +1 :              -0.00018157293799
                4p
                   -1 :               0.00004470854383
                   +0 :               0.00005620352737
                   +1 :               0.00004829781777
                3d
                   -2 :              -0.00004306188120
                   -1 :               0.00002390777171
                   +0 :               0.00009212995892
                   +1 :               0.00006077476939
                   +2 :               0.00000414341108
             13 vec=     7.780163      1.739256    -14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00011184184564
                2p
                   -1 :               0.00003039958905
                   +0 :               0.00003451294039
                   +1 :              -0.00000951020227
                3s
                   +0 :               0.00034402194640
                4s
                   +0 :              -0.00007414890198
                3p
                   -1 :              -0.00012129222667
                   +0 :              -0.00010747027391
                   +1 :               0.00002174601682
                4p
                   -1 :               0.00002120939381
                   +0 :               0.00002441849320
                   +1 :               0.00000287751691
                3d
                   -2 :              -0.00005067075227
                   -1 :               0.00000645097925
                   +0 :              -0.00004327859887
                   +1 :               0.00000223712428
                   +2 :               0.00001985043197
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Cr(  3)  npairs=  14
              1 vec=     0.000000     -2.752623     -2.510723   |vec|=    3.725676
                3s
                   +0 :              -0.00455173277940
                3p
                   -1 :               0.00287492779141
                   +0 :               0.00057417010308
                   +1 :               0.01252646927172
                4s
                   +0 :              -0.00031488056948
                5s
                   +0 :              -0.00070510650289
                3d
                   -2 :              -0.02552477189387
                   -1 :               0.00100699499702
                   +0 :               0.00046645456199
                   +1 :              -0.02493886147621
                   +2 :              -0.00038495102000
                4d
                   -2 :              -0.00667222007691
                   -1 :              -0.00222854725218
                   +0 :               0.00013443683559
                   +1 :              -0.00458012686906
                   +2 :               0.00248964049776
                4p
                   -1 :              -0.00055350271178
                   +0 :               0.00032076702276
                   +1 :               0.01514698191020
              2 vec=     0.000000      6.231135     -2.510723   |vec|=    6.717944
                3s
                   +0 :              -0.00292526274283
                3p
                   -1 :              -0.00174384866468
                   +0 :               0.00047870006418
                   +1 :              -0.00094365299514
                4s
                   +0 :               0.00930917854217
                5s
                   +0 :              -0.00218237735305
                3d
                   -2 :              -0.00162616671829
                   -1 :               0.00144316248794
                   +0 :               0.00022743867757
                   +1 :              -0.00303157244962
                   +2 :               0.00006966248781
                4d
                   -2 :              -0.00034126734197
                   -1 :              -0.00209824956306
                   +0 :               0.00036850082766
                   +1 :              -0.00113555049273
                   +2 :               0.00004350065199
                4p
                   -1 :               0.00369006421018
                   +0 :              -0.00232970434261
                   +1 :               0.00075163683122
              3 vec=    -7.780163      1.739256     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00079804491787
                3p
                   -1 :              -0.00036215919601
                   +0 :               0.00015239769789
                   +1 :               0.00172819971984
                4s
                   +0 :               0.00330875967314
                5s
                   +0 :               0.00039518715181
                3d
                   -2 :              -0.00094649991708
                   -1 :              -0.00312694752383
                   +0 :               0.00429523063695
                   +1 :               0.00197379835929
                   +2 :              -0.00156152945541
                4d
                   -2 :              -0.00048625421325
                   -1 :              -0.00053139677863
                   +0 :               0.00021035712651
                   +1 :              -0.00035515679511
                   +2 :              -0.00157202467217
                4p
                   -1 :               0.00260304737747
                   +0 :              -0.00351164750859
                   +1 :              -0.00043859073213
              4 vec=     7.780163      1.739256     -2.510723   |vec|=    8.358210
                3s
                   +0 :              -0.00218804733443
                3p
                   -1 :               0.00032247652601
                   +0 :               0.00021194018155
                   +1 :              -0.00062947886546
                4s
                   +0 :               0.00202730819310
                5s
                   +0 :              -0.00049009557799
                3d
                   -2 :              -0.00188175028994
                   -1 :               0.00353773769075
                   +0 :              -0.00253848550130
                   +1 :               0.00265267146400
                   +2 :               0.00034386678044
                4d
                   -2 :               0.00050615761547
                   -1 :              -0.00004695444306
                   +0 :              -0.00157612698100
                   +1 :              -0.00065146960362
                   +2 :               0.00176573069833
                4p
                   -1 :              -0.00169097153351
                   +0 :               0.00233417507543
                   +1 :               0.00278245759189
              5 vec=    -7.780163     -7.244502     -2.510723   |vec|=   10.923254
                3s
                   +0 :              -0.00002144471618
                3p
                   -1 :               0.00030616613556
                   +0 :              -0.00009910548505
                   +1 :              -0.00017906238562
                4s
                   +0 :               0.00059464049308
                5s
                   +0 :               0.00002370502612
                3d
                   -2 :              -0.00036380652862
                   -1 :               0.00043702910961
                   +0 :               0.00049616580735
                   +1 :              -0.00041126268529
                   +2 :               0.00040625281209
                4d
                   -2 :               0.00041332569226
                   -1 :              -0.00012087696054
                   +0 :              -0.00015523679669
                   +1 :               0.00021913171801
                   +2 :              -0.00029895977536
                4p
                   -1 :              -0.00074342823474
                   +0 :               0.00017741525282
                   +1 :              -0.00015810864482
              6 vec=     7.780163     -7.244502     -2.510723   |vec|=   10.923254
                3s
                   +0 :              -0.00047531705244
                3p
                   -1 :               0.00060409623474
                   +0 :               0.00013911745352
                   +1 :              -0.00033119153867
                4s
                   +0 :              -0.00045235530406
                5s
                   +0 :               0.00016973850107
                3d
                   -2 :               0.00016922449933
                   -1 :              -0.00017947337137
                   +0 :              -0.00000039017926
                   +1 :              -0.00041711257299
                   +2 :               0.00000462166383
                4d
                   -2 :               0.00018097615114
                   -1 :               0.00016768070224
                   +0 :              -0.00019426958734
                   +1 :              -0.00001413762205
                   +2 :              -0.00005695672085
                4p
                   -1 :              -0.00041340816526
                   +0 :              -0.00048017785492
                   +1 :              -0.00024176670382
              7 vec=     0.000000    -11.736381     -2.510723   |vec|=   12.001932
                3s
                   +0 :              -0.00021854882157
                3p
                   -1 :              -0.00007727830782
                   +0 :              -0.00023803955134
                   +1 :              -0.00001606717818
                4s
                   +0 :               0.00051405542127
                5s
                   +0 :              -0.00004340407396
                3d
                   -2 :              -0.00008659021117
                   -1 :              -0.00008918009013
                   +0 :               0.00005189671613
                   +1 :               0.00059904412528
                   +2 :              -0.00033457237452
                4d
                   -2 :               0.00025921433869
                   -1 :              -0.00017516186833
                   +0 :              -0.00007614945771
                   +1 :              -0.00009108423991
                   +2 :               0.00018809010317
                4p
                   -1 :              -0.00002889462049
                   +0 :               0.00049676508790
                   +1 :              -0.00020644210038
              8 vec=    -7.780163     10.723014     -2.510723   |vec|=   13.483979
                3s
                   +0 :              -0.00006710659049
                3p
                   -1 :              -0.00018564290731
                   +0 :              -0.00028871764669
                   +1 :              -0.00028067894015
                4s
                   +0 :               0.00054556717647
                5s
                   +0 :              -0.00005993819925
                3d
                   -2 :              -0.00001737804748
                   -1 :               0.00008085612924
                   +0 :               0.00041412441521
                   +1 :               0.00059109839621
                   +2 :               0.00025778799886
                4d
                   -2 :              -0.00005518388955
                   -1 :              -0.00004457328271
                   +0 :              -0.00015408766257
                   +1 :              -0.00003068802491
                   +2 :              -0.00022633359200
                4p
                   -1 :               0.00049095903039
                   +0 :               0.00017198931121
                   +1 :               0.00031130593755
              9 vec=     7.780163     10.723014     -2.510723   |vec|=   13.483979
                3s
                   +0 :              -0.00015649528654
                3p
                   -1 :              -0.00024200956028
                   +0 :              -0.00005296149520
                   +1 :               0.00001080976405
                4s
                   +0 :              -0.00022997753818
                5s
                   +0 :               0.00005071332336
                3d
                   -2 :               0.00024421331218
                   -1 :              -0.00050590810228
                   +0 :              -0.00028159190864
                   +1 :               0.00036875616172
                   +2 :               0.00020960739707
                4d
                   -2 :              -0.00016305746600
                   -1 :               0.00024005218488
                   +0 :              -0.00005645664110
                   +1 :               0.00011085186802
                   +2 :              -0.00027797218660
                4p
                   -1 :               0.00035262583797
                   +0 :               0.00029796127489
                   +1 :              -0.00021579870773
             10 vec=     0.000000     15.214893     -2.510723   |vec|=   15.420658
                3s
                   +0 :               0.00021041377350
                3p
                   -1 :               0.00014662791302
                   +0 :               0.00000941556076
                   +1 :              -0.00002824330769
                4s
                   +0 :              -0.00035746890110
                5s
                   +0 :               0.00002017301352
                3d
                   -2 :               0.00000394400409
                   -1 :               0.00007167760593
                   +0 :              -0.00009555345928
                   +1 :              -0.00006722422527
                   +2 :              -0.00006546633687
                4d
                   -2 :               0.00003615338878
                   -1 :              -0.00003267947252
                   +0 :               0.00008458081136
                   +1 :               0.00001019310573
                   +2 :               0.00004519779234
                4p
                   -1 :              -0.00023458578621
                   +0 :               0.00000643633874
                   +1 :               0.00005918040235
             11 vec=   -15.560325     -2.752623     -2.510723   |vec|=   16.000137
                3s
                   +0 :              -0.00005250780253
                3p
                   -1 :               0.00005988653435
                   +0 :              -0.00005709100255
                   +1 :               0.00005007487422
                4s
                   +0 :               0.00018204779829
                5s
                   +0 :              -0.00006257419743
                3d
                   -2 :              -0.00007098895720
                   -1 :              -0.00005779410986
                   +0 :               0.00002285131617
                   +1 :              -0.00006114267029
                   +2 :               0.00003710857422
                4d
                   -2 :               0.00008267381905
                   -1 :               0.00003276539383
                   +0 :               0.00001066051553
                   +1 :              -0.00007152349577
                   +2 :               0.00005763824943
                4p
                   -1 :              -0.00011146412122
                   +0 :               0.00012838318796
                   +1 :              -0.00011414971716
             12 vec=    15.560325     -2.752623     -2.510723   |vec|=   16.000137
                3s
                   +0 :               0.00000867031234
                3p
                   -1 :               0.00002459242914
                   +0 :               0.00001182796806
                   +1 :               0.00005377608471
                4s
                   +0 :              -0.00007706640006
                5s
                   +0 :               0.00001713092474
                3d
                   -2 :              -0.00000840325989
                   -1 :               0.00001638785413
                   +0 :              -0.00010942997669
                   +1 :              -0.00008352788157
                   +2 :               0.00005732429305
                4d
                   -2 :               0.00002909405691
                   -1 :              -0.00000358937297
                   +0 :               0.00003252343358
                   +1 :              -0.00001053578266
                   +2 :              -0.00001954250538
                4p
                   -1 :              -0.00001482851827
                   +0 :              -0.00006453540306
                   +1 :              -0.00006578950131
             13 vec=   -15.560325      6.231135     -2.510723   |vec|=   16.948584
                3s
                   +0 :              -0.00001213757645
                3p
                   -1 :               0.00005586820684
                   +0 :               0.00001304751714
                   +1 :               0.00004071741000
                4s
                   +0 :               0.00004612486105
                5s
                   +0 :              -0.00002802309278
                3d
                   -2 :               0.00005699625207
                   -1 :               0.00000782196701
                   +0 :               0.00008810351213
                   +1 :               0.00010286224480
                   +2 :              -0.00005217826489
                4d
                   -2 :               0.00001433453060
                   -1 :              -0.00008677950811
                   +0 :               0.00002146637298
                   +1 :               0.00002550387260
                   +2 :               0.00009734078965
                4p
                   -1 :              -0.00014548819851
                   +0 :              -0.00009354220055
                   +1 :              -0.00004625089820
             14 vec=    15.560325      6.231135     -2.510723   |vec|=   16.948584
                3s
                   +0 :              -0.00014941917904
                3p
                   -1 :              -0.00000796755836
                   +0 :               0.00008850354180
                   +1 :              -0.00007915748847
                4s
                   +0 :               0.00024157138796
                5s
                   +0 :              -0.00000383636235
                3d
                   -2 :               0.00000478398197
                   -1 :               0.00008875573318
                   +0 :              -0.00009703223985
                   +1 :               0.00015332254818
                   +2 :              -0.00005460432877
                4d
                   -2 :               0.00002092714807
                   -1 :              -0.00005299730826
                   +0 :              -0.00001826426869
                   +1 :              -0.00003766200298
                   +2 :               0.00004802341464
                4p
                   -1 :               0.00007142715734
                   +0 :              -0.00011306212787
                   +1 :               0.00014256439914
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al(  4)  npairs=  13
              1 vec=     0.000000     -2.752623     -9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00001713736244
                2p
                   -1 :               0.00009314122042
                   +0 :               0.00004965516828
                   +1 :              -0.00012194511269
                3s
                   +0 :              -0.00057307032745
                4s
                   +0 :               0.00021014621308
                3p
                   -1 :              -0.00045772332151
                   +0 :               0.00005979845596
                   +1 :               0.00070974533832
                4p
                   -1 :               0.00018309807313
                   +0 :              -0.00015147559833
                   +1 :              -0.00019779647838
                3d
                   -2 :               0.00000952133981
                   -1 :              -0.00003025732937
                   +0 :               0.00012753483748
                   +1 :              -0.00020135619683
                   +2 :              -0.00018148710993
              2 vec=     0.000000      6.231135     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00023823211891
                2p
                   -1 :               0.00034078901177
                   +0 :              -0.00005349169647
                   +1 :               0.00030675755439
                3s
                   +0 :              -0.00064026303892
                4s
                   +0 :               0.00012649645277
                3p
                   -1 :              -0.00175122493256
                   +0 :               0.00042362687897
                   +1 :              -0.00151376336655
                4p
                   -1 :               0.00047134203046
                   +0 :              -0.00026456229283
                   +1 :               0.00029387865546
                3d
                   -2 :               0.00014753922308
                   -1 :               0.00016251166050
                   +0 :               0.00008025076165
                   +1 :               0.00032743810104
                   +2 :               0.00003169692147
              3 vec=    -7.780163      1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00012200050325
                2p
                   -1 :              -0.00029196021497
                   +0 :               0.00011606479716
                   +1 :               0.00026724527005
                3s
                   +0 :              -0.00035166948075
                4s
                   +0 :              -0.00017063768239
                3p
                   -1 :               0.00069177094813
                   +0 :              -0.00057215457893
                   +1 :              -0.00038878817268
                4p
                   -1 :              -0.00013903498852
                   +0 :               0.00039301594714
                   +1 :               0.00018128962511
                3d
                   -2 :               0.00026952992665
                   -1 :              -0.00014564782991
                   +0 :               0.00020457794227
                   +1 :               0.00008395119219
                   +2 :               0.00009399462766
              4 vec=     7.780163      1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00001821022939
                2p
                   -1 :              -0.00007844759413
                   +0 :               0.00003188831119
                   +1 :               0.00007913489914
                3s
                   +0 :               0.00093478984829
                4s
                   +0 :              -0.00008978904746
                3p
                   -1 :               0.00075430936368
                   +0 :              -0.00015534897109
                   +1 :               0.00027829030433
                4p
                   -1 :              -0.00022209292709
                   +0 :               0.00002416058316
                   +1 :               0.00012825716046
                3d
                   -2 :               0.00014581058998
                   -1 :               0.00005191876845
                   +0 :              -0.00016902621950
                   +1 :              -0.00001074447549
                   +2 :               0.00002601183562
              5 vec=    -7.780163     -7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00008345258126
                2p
                   -1 :              -0.00011173158876
                   +0 :              -0.00001249537718
                   +1 :              -0.00002485610808
                3s
                   +0 :              -0.00038963496574
                4s
                   +0 :               0.00007431446789
                3p
                   -1 :               0.00062607051898
                   +0 :               0.00010712366414
                   +1 :               0.00021863799927
                4p
                   -1 :              -0.00008498679830
                   +0 :              -0.00004365197323
                   +1 :              -0.00008105077904
                3d
                   -2 :              -0.00012684536835
                   -1 :              -0.00019372802083
                   +0 :               0.00003717298164
                   +1 :              -0.00002060912794
                   +2 :               0.00008136262081
              6 vec=     7.780163     -7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00005881906111
                2p
                   -1 :               0.00008619475555
                   +0 :               0.00001019288270
                   +1 :              -0.00002825736974
                3s
                   +0 :               0.00021656108625
                4s
                   +0 :              -0.00004934362531
                3p
                   -1 :              -0.00058578132763
                   +0 :              -0.00017836383413
                   +1 :              -0.00002822156702
                4p
                   -1 :               0.00006204055905
                   +0 :               0.00008389267391
                   +1 :               0.00000280580229
                3d
                   -2 :              -0.00008687350988
                   -1 :               0.00004304224915
                   +0 :               0.00001884735913
                   +1 :              -0.00004617121015
                   +2 :              -0.00005019472618
              7 vec=     0.000000     -2.752623     14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00002505138177
                2p
                   -1 :               0.00000484779930
                   +0 :              -0.00001250935502
                   +1 :              -0.00001347802142
                3s
                   +0 :               0.00015638493006
                4s
                   +0 :              -0.00007251693965
                3p
                   -1 :              -0.00007462342426
                   +0 :               0.00007435057040
                   +1 :               0.00012279980779
                4p
                   -1 :               0.00001205561349
                   +0 :              -0.00003342779224
                   +1 :              -0.00001402590988
                3d
                   -2 :               0.00002957146046
                   -1 :              -0.00000429072088
                   +0 :               0.00002531802266
                   +1 :               0.00003073371934
                   +2 :               0.00003573499258
              8 vec=     0.000000    -11.736381     -9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00013727973245
                2p
                   -1 :              -0.00007253100744
                   +0 :              -0.00003926757072
                   +1 :              -0.00006606259526
                3s
                   +0 :              -0.00093438406996
                4s
                   +0 :               0.00006991137695
                3p
                   -1 :               0.00071556792496
                   +0 :               0.00020288253220
                   +1 :               0.00029116265924
                4p
                   -1 :              -0.00004249430229
                   +0 :              -0.00008097719662
                   +1 :              -0.00009677410799
                3d
                   -2 :               0.00007126280524
                   -1 :              -0.00002677640305
                   +0 :               0.00008744995940
                   +1 :               0.00002554572916
                   +2 :               0.00021305898877
              9 vec=     0.000000      6.231135     14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00005733009849
                2p
                   -1 :              -0.00000085632269
                   +0 :               0.00000282309911
                   +1 :              -0.00004655002122
                3s
                   +0 :              -0.00009290005717
                4s
                   +0 :              -0.00000236880721
                3p
                   -1 :               0.00003216725492
                   +0 :               0.00005739533288
                   +1 :               0.00022291314033
                4p
                   -1 :              -0.00000814398339
                   +0 :              -0.00002824854628
                   +1 :              -0.00004386882979
                3d
                   -2 :              -0.00002751033052
                   -1 :               0.00004394405665
                   +0 :               0.00004600957148
                   +1 :               0.00000944553751
                   +2 :               0.00004717207372
             10 vec=    -7.780163     10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00012325652017
                2p
                   -1 :              -0.00011827509144
                   +0 :               0.00004079302181
                   +1 :               0.00009514932089
                3s
                   +0 :               0.00037488458692
                4s
                   +0 :              -0.00008041429295
                3p
                   -1 :               0.00058404069293
                   +0 :              -0.00021085512576
                   +1 :              -0.00035359445204
                4p
                   -1 :              -0.00014764650918
                   +0 :               0.00003413100739
                   +1 :               0.00003402797025
                3d
                   -2 :              -0.00008265664357
                   -1 :              -0.00009439326224
                   +0 :               0.00001034546046
                   +1 :               0.00010459645461
                   +2 :              -0.00008494509465
             11 vec=     7.780163     10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00006541658951
                2p
                   -1 :              -0.00000863283167
                   +0 :               0.00002460650507
                   +1 :              -0.00001829804391
                3s
                   +0 :               0.00037831696770
                4s
                   +0 :              -0.00013312214331
                3p
                   -1 :               0.00014952137431
                   +0 :              -0.00014556390191
                   +1 :               0.00013106851237
                4p
                   -1 :              -0.00006666853323
                   +0 :               0.00006406725389
                   +1 :              -0.00001954924953
                3d
                   -2 :               0.00001970333982
                   -1 :               0.00001451027276
                   +0 :              -0.00003123210114
                   +1 :              -0.00005261059883
                   +2 :               0.00006271745409
             12 vec=    -7.780163      1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00012951532808
                2p
                   -1 :              -0.00002118333297
                   +0 :               0.00004272045480
                   +1 :              -0.00001425607104
                3s
                   +0 :              -0.00037446521788
                4s
                   +0 :               0.00008391645267
                3p
                   -1 :               0.00013811801477
                   +0 :              -0.00012146353729
                   +1 :               0.00009465292939
                4p
                   -1 :              -0.00001122619756
                   +0 :               0.00002590974954
                   +1 :              -0.00001496048526
                3d
                   -2 :              -0.00006062970090
                   -1 :               0.00001156672557
                   +0 :               0.00005416718516
                   +1 :              -0.00000471397908
                   +2 :              -0.00003130656538
             13 vec=     7.780163      1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00004348752531
                2p
                   -1 :              -0.00004724451720
                   +0 :              -0.00000222726527
                   +1 :               0.00002025347235
                3s
                   +0 :               0.00004946512864
                4s
                   +0 :               0.00003772587175
                3p
                   -1 :               0.00026249761421
                   +0 :              -0.00013179247366
                   +1 :              -0.00016931055823
                4p
                   -1 :              -0.00004949559302
                   +0 :               0.00004722170094
                   +1 :               0.00003752811863
                3d
                   -2 :              -0.00004888976088
                   -1 :               0.00001896204617
                   +0 :              -0.00009810387108
                   +1 :              -0.00006704369569
                   +2 :              -0.00002603315404
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al(  5)  npairs=  15
              1 vec=    -2.593388      1.739256     10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00074963689909
                2p
                   -1 :               0.00022419037077
                   +0 :              -0.00022518104382
                   +1 :              -0.00001475461794
                3s
                   +0 :               0.00221210286779
                4s
                   +0 :              -0.00046901614635
                3p
                   -1 :              -0.00078296238148
                   +0 :               0.00095738419338
                   +1 :              -0.00097144128756
                4p
                   -1 :               0.00017646182569
                   +0 :              -0.00011949269760
                   +1 :              -0.00002526040067
                3d
                   -2 :              -0.00022837141754
                   -1 :              -0.00004607477862
                   +0 :              -0.00037434430597
                   +1 :              -0.00038915998276
                   +2 :              -0.00014109224667
              2 vec=     5.186775     -2.752623     10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00021602854669
                2p
                   -1 :              -0.00020121080541
                   +0 :              -0.00004367456109
                   +1 :              -0.00017838258925
                3s
                   +0 :               0.00112761829632
                4s
                   +0 :              -0.00020802385715
                3p
                   -1 :               0.00100624545787
                   +0 :               0.00017448514961
                   +1 :               0.00090963517338
                4p
                   -1 :              -0.00027617645675
                   +0 :              -0.00005592075939
                   +1 :              -0.00019223655772
                3d
                   -2 :               0.00022138317844
                   -1 :               0.00027339371292
                   +0 :              -0.00032732155658
                   +1 :               0.00010763847416
                   +2 :              -0.00007736450322
              3 vec=    -2.593388     -7.244502     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00007978117339
                2p
                   -1 :               0.00019684656438
                   +0 :              -0.00010040528898
                   +1 :               0.00010806794606
                3s
                   +0 :              -0.00109636081207
                4s
                   +0 :               0.00005549533760
                3p
                   -1 :               0.00023946593609
                   +0 :              -0.00054805185720
                   +1 :              -0.00044597996358
                4p
                   -1 :               0.00008025570348
                   +0 :              -0.00005223944244
                   +1 :               0.00012143662581
                3d
                   -2 :               0.00008452529576
                   -1 :               0.00019798388719
                   +0 :               0.00000260259138
                   +1 :              -0.00005218154534
                   +2 :               0.00016444157998
              4 vec=     5.186775      6.231135     10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00012687879199
                2p
                   -1 :               0.00004481765920
                   +0 :               0.00000155348056
                   +1 :              -0.00020935602623
                3s
                   +0 :              -0.00042754039367
                4s
                   +0 :              -0.00004510943064
                3p
                   -1 :              -0.00036226265385
                   +0 :               0.00010795762341
                   +1 :               0.00072473154874
                4p
                   -1 :               0.00002690623512
                   +0 :              -0.00019435609905
                   +1 :              -0.00015781004161
                3d
                   -2 :              -0.00008184577247
                   -1 :              -0.00018068374568
                   +0 :               0.00025360463648
                   +1 :               0.00018800503770
                   +2 :               0.00002598052384
              5 vec=    -2.593388      1.739256    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00010117078303
                2p
                   -1 :               0.00001115649279
                   +0 :              -0.00002388434379
                   +1 :               0.00009149715959
                3s
                   +0 :               0.00021119371001
                4s
                   +0 :              -0.00003744286036
                3p
                   -1 :              -0.00009349361415
                   +0 :               0.00018583986562
                   +1 :              -0.00046792115695
                4p
                   -1 :               0.00003565745935
                   +0 :              -0.00006017718495
                   +1 :               0.00012792168281
                3d
                   -2 :               0.00001766722519
                   -1 :              -0.00000078686045
                   +0 :              -0.00005830884925
                   +1 :              -0.00002425210693
                   +2 :              -0.00005265779525
              6 vec=     5.186775     -2.752623    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00004030505697
                2p
                   -1 :               0.00003261264111
                   +0 :               0.00000602991293
                   +1 :              -0.00002159521063
                3s
                   +0 :              -0.00015510753277
                4s
                   +0 :               0.00001005227109
                3p
                   -1 :              -0.00017638086658
                   +0 :              -0.00000144139506
                   +1 :              -0.00002156061613
                4p
                   -1 :               0.00006463924153
                   +0 :               0.00001423766523
                   +1 :              -0.00000827359781
                3d
                   -2 :               0.00001977964878
                   -1 :               0.00001496595042
                   +0 :               0.00001430613470
                   +1 :               0.00001950137585
                   +2 :              -0.00003866610077
              7 vec=   -10.373550     -2.752623     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00004005621618
                2p
                   -1 :              -0.00002587753190
                   +0 :              -0.00006326928504
                   +1 :               0.00003987833730
                3s
                   +0 :               0.00018641420608
                4s
                   +0 :              -0.00012909691017
                3p
                   -1 :              -0.00004143677973
                   +0 :               0.00036248463578
                   +1 :              -0.00024972125284
                4p
                   -1 :               0.00001781359624
                   +0 :              -0.00009539758610
                   +1 :               0.00008627450676
                3d
                   -2 :               0.00007292383300
                   -1 :              -0.00005239559224
                   +0 :               0.00004759974535
                   +1 :              -0.00007793055099
                   +2 :               0.00003237882549
              8 vec=    -2.593388     10.723014     10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00011942567755
                2p
                   -1 :               0.00000671872545
                   +0 :               0.00002595271995
                   +1 :              -0.00000704862982
                3s
                   +0 :              -0.00028953823197
                4s
                   +0 :               0.00000180384108
                3p
                   -1 :               0.00017465396899
                   +0 :              -0.00007958718232
                   +1 :              -0.00008093927908
                4p
                   -1 :              -0.00012654388855
                   +0 :               0.00000517454820
                   +1 :               0.00003500959052
                3d
                   -2 :              -0.00003536681445
                   -1 :               0.00001936939052
                   +0 :              -0.00001661100254
                   +1 :              -0.00004181635515
                   +2 :              -0.00007132370579
              9 vec=    -2.593388     -7.244502    -13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00002783716942
                2p
                   -1 :              -0.00000138979107
                   +0 :              -0.00008560015699
                   +1 :              -0.00003101777014
                3s
                   +0 :              -0.00014854180200
                4s
                   +0 :               0.00006264845863
                3p
                   -1 :              -0.00011668833666
                   +0 :               0.00049697120255
                   +1 :               0.00003776221383
                4p
                   -1 :               0.00003389746693
                   +0 :              -0.00016407735578
                   +1 :              -0.00003228287183
                3d
                   -2 :               0.00004395212417
                   -1 :              -0.00002574821610
                   +0 :              -0.00010318347519
                   +1 :               0.00000328643682
                   +2 :               0.00002114001410
             10 vec=     5.186775      6.231135    -13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00006669595843
                2p
                   -1 :              -0.00002025958237
                   +0 :              -0.00003796572376
                   +1 :               0.00004473252817
                3s
                   +0 :               0.00003775055543
                4s
                   +0 :               0.00000542487858
                3p
                   -1 :               0.00027928888213
                   +0 :               0.00008535750346
                   +1 :              -0.00016490913300
                4p
                   -1 :              -0.00004555034413
                   +0 :               0.00000846113370
                   +1 :              -0.00000644476595
                3d
                   -2 :               0.00002326773856
                   -1 :               0.00003820771091
                   +0 :              -0.00004628845017
                   +1 :              -0.00001047430881
                   +2 :              -0.00004453636719
             11 vec=   -10.373550      6.231135     10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00030325971685
                2p
                   -1 :              -0.00008813025669
                   +0 :              -0.00013772903578
                   +1 :               0.00011358947843
                3s
                   +0 :               0.00098457228569
                4s
                   +0 :              -0.00034468506849
                3p
                   -1 :               0.00040568576563
                   +0 :               0.00066391114354
                   +1 :              -0.00049173970147
                4p
                   -1 :              -0.00007347933493
                   +0 :              -0.00019545449844
                   +1 :               0.00009723131323
                3d
                   -2 :              -0.00004425763277
                   -1 :               0.00008366600057
                   +0 :               0.00007204456829
                   +1 :              -0.00013622828470
                   +2 :              -0.00003270035619
             12 vec=     5.186775    -11.736381     10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00002800871324
                2p
                   -1 :               0.00000611266728
                   +0 :              -0.00001987985101
                   +1 :              -0.00001848688439
                3s
                   +0 :               0.00018942871964
                4s
                   +0 :              -0.00002751400896
                3p
                   -1 :              -0.00005209936414
                   +0 :               0.00015428613755
                   +1 :               0.00007910748813
                4p
                   -1 :               0.00000083941152
                   +0 :              -0.00002407479826
                   +1 :              -0.00002157556724
                3d
                   -2 :              -0.00002869409806
                   -1 :              -0.00002633766591
                   +0 :               0.00003756335565
                   +1 :               0.00003867255441
                   +2 :              -0.00000640668978
             13 vec=    12.966938      1.739256     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00015409311343
                2p
                   -1 :              -0.00004380432171
                   +0 :              -0.00005140170649
                   +1 :              -0.00003318629359
                3s
                   +0 :               0.00061467302200
                4s
                   +0 :              -0.00012264782106
                3p
                   -1 :               0.00025181168952
                   +0 :               0.00033517027139
                   +1 :               0.00010992691945
                4p
                   -1 :              -0.00006232532074
                   +0 :              -0.00005299137010
                   +1 :               0.00002491368381
                3d
                   -2 :               0.00003625628228
                   -1 :               0.00002202838307
                   +0 :               0.00006476593668
                   +1 :               0.00003693968932
                   +2 :              -0.00000510981575
             14 vec=   -10.373550     -2.752623    -13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00008051738586
                2p
                   -1 :              -0.00002764949327
                   +0 :              -0.00000875443601
                   +1 :              -0.00002556843488
                3s
                   +0 :              -0.00032843636447
                4s
                   +0 :               0.00007399185710
                3p
                   -1 :               0.00015967420835
                   +0 :               0.00006702209094
                   +1 :               0.00017847386354
                4p
                   -1 :              -0.00002229544450
                   +0 :              -0.00001351149607
                   +1 :              -0.00002401211475
                3d
                   -2 :              -0.00005566809309
                   -1 :              -0.00001852306897
                   +0 :               0.00003379476960
                   +1 :              -0.00000194403105
                   +2 :               0.00002182463624
             15 vec=    -2.593388     10.723014    -13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00011767226586
                2p
                   -1 :              -0.00006686494018
                   +0 :               0.00001299870453
                   +1 :               0.00002267544714
                3s
                   +0 :               0.00035150593177
                4s
                   +0 :              -0.00008061229691
                3p
                   -1 :               0.00029245721623
                   +0 :              -0.00004188793557
                   +1 :              -0.00012672152210
                4p
                   -1 :              -0.00005127908124
                   +0 :              -0.00000412858104
                   +1 :               0.00003334279959
                3d
                   -2 :              -0.00005235192319
                   -1 :              -0.00002011634803
                   +0 :              -0.00003010366740
                   +1 :               0.00000306674214
                   +2 :              -0.00004236240926
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al(  6)  npairs=  13
              1 vec=    -2.593388      1.739256     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00007015515484
                2p
                   -1 :               0.00019603715874
                   +0 :              -0.00061805090845
                   +1 :              -0.00010114261281
                3s
                   +0 :               0.00088932623157
                4s
                   +0 :               0.00037895647531
                3p
                   -1 :              -0.00364200867244
                   +0 :              -0.00082700637338
                   +1 :               0.00020488434742
                4p
                   -1 :               0.00081246438459
                   +0 :              -0.00057222466666
                   +1 :              -0.00099750385638
                3d
                   -2 :               0.00085209675931
                   -1 :               0.00064349388450
                   +0 :               0.00080462096606
                   +1 :               0.00160571795714
                   +2 :               0.00035883443342
              2 vec=     5.186775     -2.752623     -6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00099312463752
                2p
                   -1 :              -0.00002377606962
                   +0 :               0.00009059668544
                   +1 :              -0.00011666350871
                3s
                   +0 :               0.01015653515694
                4s
                   +0 :              -0.00202828252700
                3p
                   -1 :              -0.00161833722230
                   +0 :              -0.00507715854846
                   +1 :               0.00397832397994
                4p
                   -1 :              -0.00034014198588
                   +0 :               0.00045757832360
                   +1 :              -0.00025043167945
                3d
                   -2 :              -0.00110014853446
                   -1 :               0.00098317126448
                   +0 :               0.00029470463945
                   +1 :              -0.00190876269608
                   +2 :               0.00086724860985
              3 vec=    -2.593388     -7.244502     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00189556485748
                2p
                   -1 :               0.00058974414253
                   +0 :               0.00082512523101
                   +1 :               0.00009482407795
                3s
                   +0 :               0.00946396859037
                4s
                   +0 :              -0.00276452631567
                3p
                   -1 :              -0.00426100566900
                   +0 :              -0.00707897226821
                   +1 :              -0.00176043652820
                4p
                   -1 :               0.00102725302433
                   +0 :               0.00139396477125
                   +1 :               0.00018828164640
                3d
                   -2 :               0.00048737018476
                   -1 :               0.00118510350045
                   +0 :               0.00105770250942
                   +1 :               0.00073968820972
                   +2 :              -0.00043914521289
              4 vec=     5.186775      6.231135     -6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00162318308740
                2p
                   -1 :              -0.00050294263799
                   +0 :               0.00033814561233
                   +1 :              -0.00019514782042
                3s
                   +0 :               0.00700829608626
                4s
                   +0 :              -0.00200987798922
                3p
                   -1 :               0.00353919793389
                   +0 :              -0.00295245114667
                   +1 :               0.00096193586165
                4p
                   -1 :              -0.00084326205466
                   +0 :               0.00063762871247
                   +1 :              -0.00025062357981
                3d
                   -2 :               0.00032470709267
                   -1 :              -0.00083091387867
                   +0 :               0.00014574083854
                   +1 :               0.00006088961553
                   +2 :              -0.00064431614221
              5 vec=   -10.373550     -2.752623     -6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00022294975808
                2p
                   -1 :               0.00008530106065
                   +0 :               0.00007848406257
                   +1 :               0.00018165393040
                3s
                   +0 :              -0.00005773878057
                4s
                   +0 :              -0.00005678758056
                3p
                   -1 :              -0.00026484060653
                   +0 :              -0.00006283536792
                   +1 :              -0.00045947231705
                4p
                   -1 :               0.00008678001849
                   +0 :               0.00009285651982
                   +1 :               0.00015661597183
                3d
                   -2 :               0.00002995409139
                   -1 :               0.00009214335138
                   +0 :               0.00000431802734
                   +1 :              -0.00003296712572
                   +2 :              -0.00014890963659
              6 vec=    -2.593388     10.723014     -6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00069241044468
                2p
                   -1 :               0.00020738666177
                   +0 :              -0.00008829994853
                   +1 :              -0.00013616176297
                3s
                   +0 :              -0.00311539783647
                4s
                   +0 :               0.00097891972681
                3p
                   -1 :              -0.00146563183106
                   +0 :               0.00116404535668
                   +1 :               0.00077343488647
                4p
                   -1 :               0.00033204003043
                   +0 :              -0.00032491175360
                   +1 :              -0.00023650181046
                3d
                   -2 :               0.00013961322102
                   -1 :               0.00027306073363
                   +0 :              -0.00009622642829
                   +1 :              -0.00012424162915
                   +2 :               0.00016668317385
              7 vec=   -10.373550      6.231135     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00045866566273
                2p
                   -1 :               0.00041883835535
                   +0 :              -0.00016468475595
                   +1 :              -0.00007592502698
                3s
                   +0 :              -0.00261522764169
                4s
                   +0 :               0.00103657532041
                3p
                   -1 :              -0.00257753664162
                   +0 :               0.00130726467482
                   +1 :               0.00116104634886
                4p
                   -1 :               0.00062202461346
                   +0 :              -0.00037717860657
                   +1 :              -0.00047991160874
                3d
                   -2 :               0.00022939221233
                   -1 :               0.00034293213418
                   +0 :              -0.00000216280037
                   +1 :              -0.00017119969506
                   +2 :               0.00003844144239
              8 vec=     5.186775    -11.736381     -6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00005660545895
                2p
                   -1 :              -0.00009678384651
                   +0 :               0.00004829655263
                   +1 :              -0.00007801761524
                3s
                   +0 :              -0.00054225142731
                4s
                   +0 :               0.00020213537179
                3p
                   -1 :               0.00050838233300
                   +0 :               0.00008190192412
                   +1 :               0.00022303488646
                4p
                   -1 :              -0.00021180412843
                   +0 :              -0.00003344612391
                   +1 :              -0.00006050152064
                3d
                   -2 :              -0.00001032740767
                   -1 :               0.00000911051826
                   +0 :              -0.00006316674876
                   +1 :               0.00001958642408
                   +2 :               0.00005767265292
              9 vec=    12.966938      1.739256     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00011408029077
                2p
                   -1 :               0.00012860679580
                   +0 :               0.00001833989984
                   +1 :              -0.00003828274391
                3s
                   +0 :               0.00017924048959
                4s
                   +0 :              -0.00001786408063
                3p
                   -1 :              -0.00049331867686
                   +0 :               0.00010923723986
                   +1 :               0.00010724638903
                4p
                   -1 :               0.00014825611566
                   +0 :               0.00000609647362
                   +1 :               0.00008181713557
                3d
                   -2 :              -0.00014386511433
                   -1 :              -0.00000432023549
                   +0 :              -0.00013231982103
                   +1 :              -0.00000301009264
                   +2 :               0.00001500425962
             10 vec=    12.966938     -7.244502     -6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00008510712521
                2p
                   -1 :              -0.00001127250486
                   +0 :               0.00003674819444
                   +1 :              -0.00004060394617
                3s
                   +0 :               0.00036663346983
                4s
                   +0 :              -0.00002915175137
                3p
                   -1 :               0.00003920147816
                   +0 :              -0.00023223682774
                   +1 :               0.00019245399538
                4p
                   -1 :              -0.00003884900596
                   +0 :               0.00003233974533
                   +1 :              -0.00002594903420
                3d
                   -2 :               0.00001892615650
                   -1 :               0.00002376417598
                   +0 :               0.00003527297133
                   +1 :              -0.00004122628074
                   +2 :               0.00002340840943
             11 vec=   -10.373550    -11.736381     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00001502191473
                2p
                   -1 :              -0.00000237961537
                   +0 :              -0.00001735400055
                   +1 :              -0.00000879173577
                3s
                   +0 :              -0.00026766677343
                4s
                   +0 :               0.00008086682724
                3p
                   -1 :               0.00005385514103
                   +0 :               0.00016803631800
                   +1 :               0.00014132991400
                4p
                   -1 :              -0.00001791238020
                   +0 :              -0.00002624451933
                   +1 :              -0.00003624118762
                3d
                   -2 :              -0.00000760408841
                   -1 :              -0.00002359917484
                   +0 :              -0.00001769403054
                   +1 :              -0.00002497181848
                   +2 :              -0.00003818783903
             12 vec=     5.186775     15.214893     -6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00004347201812
                2p
                   -1 :              -0.00001594976077
                   +0 :               0.00001272320022
                   +1 :               0.00001240118298
                3s
                   +0 :               0.00028508987678
                4s
                   +0 :              -0.00006198457796
                3p
                   -1 :               0.00015292400203
                   +0 :              -0.00013521202436
                   +1 :              -0.00004871942008
                4p
                   -1 :              -0.00003204541420
                   +0 :               0.00002079653966
                   +1 :               0.00000361807199
                3d
                   -2 :               0.00000193669132
                   -1 :              -0.00002832808797
                   +0 :               0.00001214204909
                   +1 :              -0.00001063158324
                   +2 :              -0.00002720796166
             13 vec=    -2.593388    -16.228260     -6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00002146707562
                2p
                   -1 :               0.00003569966661
                   +0 :               0.00000238612211
                   +1 :               0.00001917992521
                3s
                   +0 :               0.00001913284796
                4s
                   +0 :              -0.00008457568508
                3p
                   -1 :              -0.00019186070888
                   +0 :              -0.00004334565555
                   +1 :              -0.00005877155236
                4p
                   -1 :               0.00009598514460
                   +0 :               0.00002689387517
                   +1 :              -0.00001451202265
                3d
                   -2 :               0.00000955833277
                   -1 :               0.00001302296775
                   +0 :              -0.00003388139755
                   +1 :              -0.00001305831373
                   +2 :              -0.00003298239322
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al(  7)  npairs=  14
              1 vec=    -2.593388      1.739256      5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00212022430783
                2p
                   -1 :               0.00089186453514
                   +0 :               0.00177501001220
                   +1 :              -0.00019546820064
                3s
                   +0 :              -0.00661913790951
                4s
                   +0 :               0.00486076618788
                3p
                   -1 :              -0.00427057379473
                   +0 :              -0.01315211760753
                   +1 :               0.00117002516378
                4p
                   -1 :               0.00107132673295
                   +0 :               0.00556876987441
                   +1 :              -0.00087238616052
                3d
                   -2 :               0.00148863987725
                   -1 :               0.00038944291871
                   +0 :              -0.00324706878896
                   +1 :               0.00207371897990
                   +2 :              -0.00106041733992
              2 vec=     5.186775     -2.752623      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00046902817236
                2p
                   -1 :              -0.00055709395550
                   +0 :              -0.00015957189712
                   +1 :              -0.00029622342837
                3s
                   +0 :               0.00467406865459
                4s
                   +0 :              -0.00031898783536
                3p
                   -1 :               0.00108024925902
                   +0 :              -0.00104692794876
                   +1 :               0.00516821673404
                4p
                   -1 :              -0.00074650324994
                   +0 :              -0.00016517590939
                   +1 :              -0.00028834525721
                3d
                   -2 :              -0.00132275611476
                   -1 :               0.00101027766530
                   +0 :              -0.00200953696508
                   +1 :              -0.00037768410235
                   +2 :               0.00131406164012
              3 vec=    -2.593388     -7.244502      5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00069255025179
                2p
                   -1 :               0.00032362919642
                   +0 :              -0.00047380260497
                   +1 :               0.00073931479515
                3s
                   +0 :               0.00259338809120
                4s
                   +0 :              -0.00090176787442
                3p
                   -1 :              -0.00228903690316
                   +0 :               0.00181114790054
                   +1 :              -0.00299888986405
                4p
                   -1 :               0.00077856967905
                   +0 :              -0.00039196931319
                   +1 :               0.00052643549722
                3d
                   -2 :               0.00030996990889
                   -1 :              -0.00031134855867
                   +0 :              -0.00018461819746
                   +1 :              -0.00038061116389
                   +2 :               0.00008354443239
              4 vec=     5.186775      6.231135      5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00130581561050
                2p
                   -1 :               0.00110098308723
                   +0 :              -0.00040277547234
                   +1 :              -0.00076187250439
                3s
                   +0 :              -0.00325884294015
                4s
                   +0 :               0.00067031889177
                3p
                   -1 :              -0.00464029763789
                   +0 :               0.00295164328202
                   +1 :               0.00395928105533
                4p
                   -1 :               0.00059937306963
                   +0 :              -0.00128549812058
                   +1 :              -0.00093898549469
                3d
                   -2 :               0.00044424009937
                   -1 :               0.00027281650559
                   +0 :               0.00072187308082
                   +1 :               0.00069332170165
                   +2 :               0.00073712873469
              5 vec=   -10.373550     -2.752623      5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00037579769071
                2p
                   -1 :               0.00020206166804
                   +0 :              -0.00011901760340
                   +1 :               0.00018807063832
                3s
                   +0 :               0.00087267497843
                4s
                   +0 :              -0.00035797294463
                3p
                   -1 :              -0.00079690308509
                   +0 :               0.00031129096713
                   +1 :              -0.00077185016118
                4p
                   -1 :               0.00024832896717
                   +0 :              -0.00013041558390
                   +1 :               0.00020864384272
                3d
                   -2 :               0.00009477036474
                   -1 :              -0.00014851945025
                   +0 :              -0.00008831273155
                   +1 :              -0.00013702904920
                   +2 :               0.00004980174240
              6 vec=    -2.593388     10.723014      5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00000073589752
                2p
                   -1 :               0.00010116151768
                   +0 :               0.00005271874881
                   +1 :               0.00013968722753
                3s
                   +0 :              -0.00028802723295
                4s
                   +0 :              -0.00006445079110
                3p
                   -1 :              -0.00068260127177
                   +0 :              -0.00011653498486
                   +1 :              -0.00063658788004
                4p
                   -1 :               0.00002331526814
                   +0 :              -0.00000201960409
                   +1 :               0.00017212552382
                3d
                   -2 :               0.00008805247990
                   -1 :              -0.00008767443446
                   +0 :               0.00004172393676
                   +1 :              -0.00001278775587
                   +2 :               0.00028041320955
              7 vec=   -10.373550      6.231135      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00016401588827
                2p
                   -1 :              -0.00008903959371
                   +0 :               0.00003667542098
                   +1 :              -0.00002897487640
                3s
                   +0 :               0.00038313422033
                4s
                   +0 :              -0.00017490487154
                3p
                   -1 :               0.00042758444648
                   +0 :              -0.00014024355300
                   +1 :              -0.00000072683816
                4p
                   -1 :              -0.00012596604777
                   +0 :               0.00003261440249
                   +1 :               0.00006770397431
                3d
                   -2 :               0.00005873124353
                   -1 :              -0.00010708430845
                   +0 :              -0.00008781520570
                   +1 :              -0.00001744182118
                   +2 :              -0.00003050513389
              8 vec=     5.186775    -11.736381      5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00026051398164
                2p
                   -1 :              -0.00003135932739
                   +0 :              -0.00004987781526
                   +1 :              -0.00012806532118
                3s
                   +0 :               0.00083923137282
                4s
                   +0 :              -0.00019020860271
                3p
                   -1 :               0.00021116119311
                   +0 :               0.00021411133387
                   +1 :               0.00064342656336
                4p
                   -1 :              -0.00010244464270
                   +0 :              -0.00006952223527
                   +1 :              -0.00012460168992
                3d
                   -2 :              -0.00006849438778
                   -1 :               0.00009731414145
                   +0 :              -0.00000819373874
                   +1 :               0.00012295403238
                   +2 :               0.00009630837495
              9 vec=    12.966938      1.739256      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00000274137487
                2p
                   -1 :               0.00003229489401
                   +0 :               0.00007044742001
                   +1 :               0.00010899846259
                3s
                   +0 :               0.00014272363033
                4s
                   +0 :               0.00001796750541
                3p
                   -1 :              -0.00017092686053
                   +0 :              -0.00020912079819
                   +1 :              -0.00055512154468
                4p
                   -1 :               0.00001992935213
                   +0 :               0.00001464431446
                   +1 :               0.00014392114199
                3d
                   -2 :               0.00002488452396
                   -1 :              -0.00013587888637
                   +0 :               0.00009065698835
                   +1 :              -0.00010322637561
                   +2 :              -0.00014085903063
             10 vec=    12.966938     -7.244502      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00017086913262
                2p
                   -1 :              -0.00007346657904
                   +0 :               0.00002807559184
                   +1 :               0.00012305450665
                3s
                   +0 :              -0.00049630618113
                4s
                   +0 :               0.00015202586312
                3p
                   -1 :               0.00035516451471
                   +0 :              -0.00003587582319
                   +1 :              -0.00062337591208
                4p
                   -1 :              -0.00008044119684
                   +0 :              -0.00002578749872
                   +1 :               0.00013733257271
                3d
                   -2 :               0.00014686995201
                   -1 :               0.00001444595102
                   +0 :               0.00008897684632
                   +1 :              -0.00006666562974
                   +2 :              -0.00006177674511
             11 vec=   -10.373550    -11.736381      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00003934460326
                2p
                   -1 :              -0.00000188411021
                   +0 :               0.00001764258015
                   +1 :              -0.00000929843214
                3s
                   +0 :              -0.00001431422436
                4s
                   +0 :              -0.00003284039950
                3p
                   -1 :               0.00002148846086
                   +0 :              -0.00011902467569
                   +1 :               0.00015893515753
                4p
                   -1 :               0.00001096296623
                   +0 :               0.00002193251001
                   +1 :              -0.00002983945576
                3d
                   -2 :              -0.00002859513603
                   -1 :               0.00001549065566
                   +0 :               0.00000962887016
                   +1 :               0.00002433207671
                   +2 :              -0.00001948327301
             12 vec=     5.186775     15.214893      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00011871324254
                2p
                   -1 :               0.00007101636979
                   +0 :               0.00003441384592
                   +1 :               0.00001841533084
                3s
                   +0 :              -0.00048593600535
                4s
                   +0 :               0.00014926960199
                3p
                   -1 :              -0.00040417066324
                   +0 :              -0.00019735070576
                   +1 :              -0.00012363233731
                4p
                   -1 :               0.00009135052936
                   +0 :               0.00004093280714
                   +1 :               0.00006105472488
                3d
                   -2 :               0.00001179381743
                   -1 :              -0.00012896810218
                   +0 :              -0.00001234094287
                   +1 :              -0.00000183254113
                   +2 :               0.00008539008633
             13 vec=    -2.593388    -16.228260      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00002838596840
                2p
                   -1 :              -0.00000337191869
                   +0 :              -0.00001873360115
                   +1 :              -0.00002691610984
                3s
                   +0 :              -0.00005288035631
                4s
                   +0 :              -0.00000363057149
                3p
                   -1 :              -0.00002165221503
                   +0 :               0.00005830978841
                   +1 :               0.00015015149818
                4p
                   -1 :               0.00001563322265
                   +0 :              -0.00000704101351
                   +1 :              -0.00004519751618
                3d
                   -2 :              -0.00000972672836
                   -1 :              -0.00001027937343
                   +0 :               0.00000056890010
                   +1 :               0.00000768315203
                   +2 :              -0.00000556766121
             14 vec=    12.966938     10.723014      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000090125877
                2p
                   -1 :               0.00000580396951
                   +0 :              -0.00001826019218
                   +1 :              -0.00001158346591
                3s
                   +0 :               0.00011334017646
                4s
                   +0 :              -0.00005193012329
                3p
                   -1 :               0.00007559724832
                   +0 :               0.00005584485934
                   +1 :               0.00006389095800
                4p
                   -1 :              -0.00004458421642
                   +0 :               0.00001350133357
                   +1 :              -0.00000977368466
                3d
                   -2 :              -0.00002450544418
                   -1 :              -0.00002688634741
                   +0 :               0.00000436614333
                   +1 :               0.00002875987541
                   +2 :               0.00002173092271
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al(  8)  npairs=  14
              1 vec=    -2.593388      1.739256     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.03800085650659
                2p
                   -1 :              -0.02237898984101
                   +0 :               0.02326401407954
                   +1 :               0.02760843215723
                3s
                   +0 :              -0.08428921923333
                4s
                   +0 :              -0.01406769213859
                3p
                   -1 :              -0.05397926611127
                   +0 :               0.04535476170463
                   +1 :               0.02573899850612
                4p
                   -1 :              -0.00891229549176
                   +0 :               0.01093638176021
                   +1 :               0.01785425300687
                3d
                   -2 :               0.03418656034042
                   -1 :               0.03428957108915
                   +0 :              -0.00578922651421
                   +1 :              -0.03576735689374
                   +2 :               0.00593025351874
              2 vec=     5.186775     -2.752623     -1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00291849837662
                2p
                   -1 :               0.00163523899133
                   +0 :               0.00178953973915
                   +1 :              -0.00149711893990
                3s
                   +0 :               0.00303540860143
                4s
                   +0 :              -0.00492460893533
                3p
                   -1 :              -0.00765537523545
                   +0 :              -0.00827562515702
                   +1 :               0.00480171023106
                4p
                   -1 :               0.00299901758356
                   +0 :               0.00291345973692
                   +1 :              -0.00192327270639
                3d
                   -2 :              -0.00343353718154
                   -1 :               0.00150360132167
                   +0 :              -0.00270432191627
                   +1 :              -0.00195232147002
                   +2 :               0.00221213532602
              3 vec=    -2.593388     -7.244502     -1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00082720296149
                2p
                   -1 :              -0.00024794010389
                   +0 :              -0.00086622827560
                   +1 :               0.00007010545706
                3s
                   +0 :              -0.00572672209993
                4s
                   +0 :               0.00016142274136
                3p
                   -1 :               0.00790982040460
                   +0 :               0.00913067004216
                   +1 :              -0.00078406469766
                4p
                   -1 :              -0.00024414695193
                   +0 :              -0.00079176820064
                   +1 :              -0.00034892405498
                3d
                   -2 :               0.00031485650126
                   -1 :              -0.00308122478548
                   +0 :               0.00095231704157
                   +1 :              -0.00090785768460
                   +2 :               0.00252210907214
              4 vec=     5.186775      6.231135     -1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00041966985101
                2p
                   -1 :               0.00109373843948
                   +0 :               0.00049989544424
                   +1 :              -0.00036810370659
                3s
                   +0 :               0.00433123529245
                4s
                   +0 :              -0.00103581287242
                3p
                   -1 :              -0.00797057889840
                   +0 :              -0.00493012119446
                   +1 :               0.00352891328062
                4p
                   -1 :               0.00126184512855
                   +0 :               0.00099806935754
                   +1 :              -0.00083429370435
                3d
                   -2 :              -0.00226791565382
                   -1 :               0.00118850530237
                   +0 :               0.00110438537401
                   +1 :              -0.00179313320322
                   +2 :               0.00172719181605
              5 vec=   -10.373550     -2.752623     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00038062047237
                2p
                   -1 :               0.00015210118804
                   +0 :               0.00003353186032
                   +1 :              -0.00045669670587
                3s
                   +0 :              -0.00198434649898
                4s
                   +0 :               0.00071341438303
                3p
                   -1 :               0.00016382832472
                   +0 :               0.00037356969221
                   +1 :               0.00237143696998
                4p
                   -1 :              -0.00009045915087
                   +0 :              -0.00008700933747
                   +1 :              -0.00052612498204
                3d
                   -2 :               0.00009862727581
                   -1 :              -0.00002780301262
                   +0 :               0.00029721006344
                   +1 :              -0.00023816942745
                   +2 :              -0.00067889363434
              6 vec=    -2.593388     10.723014     -1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00007219050233
                2p
                   -1 :               0.00002141917908
                   +0 :              -0.00019059930105
                   +1 :               0.00006017560016
                3s
                   +0 :               0.00088792386596
                4s
                   +0 :               0.00007275498680
                3p
                   -1 :               0.00006951867369
                   +0 :               0.00071457105825
                   +1 :              -0.00115347504753
                4p
                   -1 :               0.00016532241107
                   +0 :              -0.00034889510274
                   +1 :               0.00009295306733
                3d
                   -2 :              -0.00083847936344
                   -1 :               0.00019193734659
                   +0 :               0.00016388339085
                   +1 :               0.00032806909396
                   +2 :               0.00014695246337
              7 vec=   -10.373550      6.231135     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00015394606976
                2p
                   -1 :               0.00001524879574
                   +0 :               0.00010800873468
                   +1 :               0.00002472532530
                3s
                   +0 :              -0.00046591214341
                4s
                   +0 :              -0.00024728838892
                3p
                   -1 :              -0.00003039684461
                   +0 :               0.00005538922055
                   +1 :               0.00028759913297
                4p
                   -1 :              -0.00004894257751
                   +0 :              -0.00001588500595
                   +1 :               0.00014393864972
                3d
                   -2 :               0.00003847580593
                   -1 :              -0.00003417318793
                   +0 :               0.00014947573888
                   +1 :               0.00012171372977
                   +2 :               0.00007038618418
              8 vec=     5.186775    -11.736381     -1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00004323595948
                2p
                   -1 :              -0.00005256715631
                   +0 :              -0.00017252424456
                   +1 :              -0.00005866226229
                3s
                   +0 :               0.00020615962184
                4s
                   +0 :              -0.00013425674551
                3p
                   -1 :              -0.00026943041633
                   +0 :              -0.00005472398292
                   +1 :              -0.00028320926076
                4p
                   -1 :               0.00000016053287
                   +0 :              -0.00017703344369
                   +1 :              -0.00008095337170
                3d
                   -2 :               0.00016902340818
                   -1 :               0.00007130816208
                   +0 :               0.00006954715501
                   +1 :               0.00002584603676
                   +2 :              -0.00009177363685
              9 vec=    12.966938      1.739256     -1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00003411418294
                2p
                   -1 :               0.00011781161013
                   +0 :               0.00010843437358
                   +1 :              -0.00001595765388
                3s
                   +0 :               0.00235185756450
                4s
                   +0 :              -0.00043027457098
                3p
                   -1 :               0.00083945170962
                   +0 :              -0.00219441770192
                   +1 :               0.00217346288772
                4p
                   -1 :               0.00007431540616
                   +0 :               0.00025691696149
                   +1 :              -0.00040354007743
                3d
                   -2 :               0.00047263011329
                   -1 :              -0.00018323775770
                   +0 :              -0.00006243516016
                   +1 :              -0.00073551500411
                   +2 :               0.00033950087071
             10 vec=    12.966938     -7.244502     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00016637509770
                2p
                   -1 :               0.00000072373460
                   +0 :              -0.00005058792048
                   +1 :              -0.00001874811326
                3s
                   +0 :               0.00082719729058
                4s
                   +0 :              -0.00013917963939
                3p
                   -1 :              -0.00007707349693
                   +0 :               0.00021227388772
                   +1 :               0.00007454130173
                4p
                   -1 :              -0.00001977400575
                   +0 :              -0.00007168178932
                   +1 :               0.00000311994934
                3d
                   -2 :               0.00006572889765
                   -1 :               0.00000132446350
                   +0 :               0.00006535591974
                   +1 :               0.00008729200552
                   +2 :               0.00004105852026
             11 vec=   -10.373550    -11.736381     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00006105502270
                2p
                   -1 :               0.00000526482846
                   +0 :              -0.00001248758742
                   +1 :              -0.00002598439623
                3s
                   +0 :              -0.00015694135998
                4s
                   +0 :              -0.00000368120699
                3p
                   -1 :              -0.00005480136441
                   +0 :               0.00003836030235
                   +1 :               0.00011426810041
                4p
                   -1 :               0.00005776882543
                   +0 :              -0.00004456016565
                   +1 :               0.00000060302016
                3d
                   -2 :              -0.00004700904137
                   -1 :               0.00002443009000
                   +0 :               0.00003115311255
                   +1 :               0.00002953297460
                   +2 :              -0.00001026130724
             12 vec=     5.186775     15.214893     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00003628093119
                2p
                   -1 :               0.00004499957545
                   +0 :              -0.00000061527884
                   +1 :              -0.00001838695619
                3s
                   +0 :               0.00004619845803
                4s
                   +0 :               0.00005071716858
                3p
                   -1 :              -0.00026525804835
                   +0 :               0.00009208095347
                   +1 :              -0.00004277776200
                4p
                   -1 :               0.00012409384544
                   +0 :              -0.00001931558010
                   +1 :               0.00002420792631
                3d
                   -2 :              -0.00001145271190
                   -1 :               0.00003982560071
                   +0 :              -0.00001857720628
                   +1 :              -0.00002166611527
                   +2 :               0.00002578915028
             13 vec=    -2.593388    -16.228260     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00001936403831
                2p
                   -1 :               0.00001132726374
                   +0 :              -0.00001876587448
                   +1 :              -0.00002998022981
                3s
                   +0 :               0.00006862417848
                4s
                   +0 :              -0.00003759916129
                3p
                   -1 :              -0.00015565831439
                   +0 :               0.00002277935118
                   +1 :               0.00012959360239
                4p
                   -1 :               0.00003870343204
                   +0 :              -0.00003329901573
                   +1 :              -0.00001230476416
                3d
                   -2 :              -0.00000270353186
                   -1 :               0.00001703665483
                   +0 :              -0.00005108005031
                   +1 :              -0.00001413871267
                   +2 :              -0.00001790234608
             14 vec=    12.966938     10.723014     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00000377659741
                2p
                   -1 :               0.00003956285339
                   +0 :               0.00002681194589
                   +1 :              -0.00000597299062
                3s
                   +0 :               0.00008798397410
                4s
                   +0 :              -0.00001701272595
                3p
                   -1 :              -0.00018474644300
                   +0 :              -0.00032064706534
                   +1 :               0.00014259054690
                4p
                   -1 :               0.00004184529325
                   +0 :               0.00006443720702
                   +1 :              -0.00002270586115
                3d
                   -2 :              -0.00003779990326
                   -1 :              -0.00002580704810
                   +0 :              -0.00001591148540
                   +1 :              -0.00005076317618
                   +2 :               0.00006308359390
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al(  9)  npairs=  14
              1 vec=     2.593388      1.739256     -5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00245982952274
                2p
                   -1 :              -0.00078764021016
                   +0 :               0.00195110405429
                   +1 :               0.00034154235609
                3s
                   +0 :               0.00900016818561
                4s
                   +0 :              -0.00430209226441
                3p
                   -1 :               0.00514055956233
                   +0 :              -0.01502122900244
                   +1 :              -0.00232921558809
                4p
                   -1 :              -0.00108208376460
                   +0 :               0.00518761921166
                   +1 :              -0.00020432247871
                3d
                   -2 :               0.00114669793221
                   -1 :              -0.00069640186714
                   +0 :               0.00382157251501
                   +1 :              -0.00151523352825
                   +2 :               0.00079642545595
              2 vec=    -5.186775     -2.752623     -5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00050302705102
                2p
                   -1 :               0.00053391455031
                   +0 :              -0.00034522665110
                   +1 :              -0.00046983595058
                3s
                   +0 :              -0.00700152509686
                4s
                   +0 :               0.00179579161489
                3p
                   -1 :              -0.00261933164817
                   +0 :               0.00087191332087
                   +1 :               0.00650542228156
                4p
                   -1 :               0.00103982376196
                   +0 :              -0.00058252997906
                   +1 :              -0.00103815722488
                3d
                   -2 :              -0.00041536697276
                   -1 :               0.00097194725870
                   +0 :               0.00198303545921
                   +1 :              -0.00034172042322
                   +2 :              -0.00159983919301
              3 vec=     2.593388     -7.244502     -5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00090386355903
                2p
                   -1 :              -0.00005018812422
                   +0 :              -0.00047719178984
                   +1 :               0.00086658879557
                3s
                   +0 :              -0.00677426456078
                4s
                   +0 :               0.00002811701901
                3p
                   -1 :              -0.00043436460502
                   +0 :               0.00265510351722
                   +1 :              -0.00708835989298
                4p
                   -1 :               0.00029128621047
                   +0 :              -0.00005521741132
                   +1 :               0.00075701969456
                3d
                   -2 :               0.00047940261869
                   -1 :               0.00026611125866
                   +0 :               0.00006031936127
                   +1 :               0.00128267946424
                   +2 :              -0.00159910860639
              4 vec=    -5.186775      6.231135     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00137330332679
                2p
                   -1 :              -0.00081081604678
                   +0 :              -0.00028307102529
                   +1 :              -0.00078473201438
                3s
                   +0 :               0.00289111121198
                4s
                   +0 :              -0.00077359477142
                3p
                   -1 :               0.00240828801995
                   +0 :               0.00253605585896
                   +1 :               0.00466236446759
                4p
                   -1 :              -0.00026893144793
                   +0 :              -0.00118467373163
                   +1 :              -0.00146637389258
                3d
                   -2 :               0.00076290914398
                   -1 :               0.00072880933961
                   +0 :              -0.00064334301914
                   +1 :              -0.00056168720102
                   +2 :              -0.00023817807793
              5 vec=    10.373550     -2.752623     -5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00022545485421
                2p
                   -1 :              -0.00000234672921
                   +0 :              -0.00008225752088
                   +1 :               0.00027432016446
                3s
                   +0 :              -0.00012746903793
                4s
                   +0 :               0.00026769563114
                3p
                   -1 :              -0.00016206400926
                   +0 :               0.00011869690607
                   +1 :              -0.00110324490018
                4p
                   -1 :               0.00005139294507
                   +0 :              -0.00007166303082
                   +1 :               0.00039398795678
                3d
                   -2 :               0.00015545219592
                   -1 :              -0.00001475195384
                   +0 :               0.00007351719821
                   +1 :               0.00019959377782
                   +2 :              -0.00013069904665
              6 vec=     2.593388     10.723014     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00003503668825
                2p
                   -1 :               0.00002286148999
                   +0 :               0.00000427053064
                   +1 :               0.00013943353052
                3s
                   +0 :               0.00087087655255
                4s
                   +0 :              -0.00023613004696
                3p
                   -1 :               0.00032253229701
                   +0 :              -0.00018803266208
                   +1 :              -0.00055077326286
                4p
                   -1 :              -0.00006611752819
                   +0 :               0.00004897154760
                   +1 :               0.00001383495143
                3d
                   -2 :              -0.00019505485933
                   -1 :              -0.00000201717283
                   +0 :              -0.00007082822658
                   +1 :               0.00014890774872
                   +2 :               0.00001708040481
              7 vec=    10.373550      6.231135     -5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00007816130962
                2p
                   -1 :              -0.00009096453249
                   +0 :               0.00001191335251
                   +1 :               0.00005900906110
                3s
                   +0 :               0.00038986201177
                4s
                   +0 :               0.00023153867409
                3p
                   -1 :               0.00061243766390
                   +0 :               0.00002743067398
                   +1 :              -0.00035610134444
                4p
                   -1 :               0.00000421014323
                   +0 :              -0.00007627649645
                   +1 :               0.00021002531861
                3d
                   -2 :              -0.00012280627579
                   -1 :              -0.00009743562751
                   +0 :              -0.00006269683646
                   +1 :               0.00000566540453
                   +2 :              -0.00025825329954
              8 vec=    -5.186775    -11.736381     -5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00033237935495
                2p
                   -1 :               0.00006812852584
                   +0 :              -0.00007799665936
                   +1 :              -0.00019748823791
                3s
                   +0 :              -0.00095228063854
                4s
                   +0 :               0.00018633829872
                3p
                   -1 :              -0.00030677348080
                   +0 :               0.00030137041736
                   +1 :               0.00078104955044
                4p
                   -1 :               0.00021298635308
                   +0 :              -0.00010808017512
                   +1 :              -0.00019854663388
                3d
                   -2 :              -0.00004777275773
                   -1 :               0.00007902298252
                   +0 :               0.00001322945882
                   +1 :              -0.00010050528445
                   +2 :               0.00004847750717
              9 vec=   -12.966938      1.739256     -5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00023398264991
                2p
                   -1 :               0.00008509945591
                   +0 :               0.00020907346259
                   +1 :               0.00017251103392
                3s
                   +0 :               0.00121495025585
                4s
                   +0 :              -0.00023773606446
                3p
                   -1 :              -0.00086400041864
                   +0 :              -0.00114549936890
                   +1 :              -0.00085089076208
                4p
                   -1 :               0.00022428356023
                   +0 :               0.00017131442329
                   +1 :               0.00022299458938
                3d
                   -2 :               0.00012847368274
                   -1 :               0.00019699139086
                   +0 :              -0.00004045326456
                   +1 :               0.00029761672166
                   +2 :              -0.00002834167989
             10 vec=   -12.966938     -7.244502     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00013750837491
                2p
                   -1 :               0.00007499053770
                   +0 :               0.00004266670465
                   +1 :               0.00008408222446
                3s
                   +0 :               0.00039309936925
                4s
                   +0 :              -0.00012436269006
                3p
                   -1 :              -0.00038422115305
                   +0 :              -0.00010751490801
                   +1 :              -0.00047434829863
                4p
                   -1 :               0.00008648232385
                   +0 :               0.00000508771344
                   +1 :               0.00009936672418
                3d
                   -2 :               0.00012832049237
                   -1 :               0.00002487546790
                   +0 :              -0.00008113942555
                   +1 :               0.00006464785424
                   +2 :               0.00003386699902
             11 vec=    10.373550    -11.736381     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00000149398392
                2p
                   -1 :               0.00001786758645
                   +0 :               0.00001517831505
                   +1 :              -0.00002218652346
                3s
                   +0 :               0.00010194635463
                4s
                   +0 :              -0.00003681089044
                3p
                   -1 :              -0.00007024570454
                   +0 :              -0.00006309477327
                   +1 :               0.00019601461835
                4p
                   -1 :               0.00002628673509
                   +0 :               0.00001753955323
                   +1 :              -0.00005983073410
                3d
                   -2 :              -0.00001350006816
                   -1 :              -0.00000845750749
                   +0 :              -0.00001351126822
                   +1 :              -0.00000792444775
                   +2 :               0.00002919520398
             12 vec=    -5.186775     15.214893     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00015538930520
                2p
                   -1 :              -0.00008420231796
                   +0 :               0.00004273823338
                   +1 :              -0.00000282803633
                3s
                   +0 :               0.00042150886709
                4s
                   +0 :              -0.00014710037056
                3p
                   -1 :               0.00035941173828
                   +0 :              -0.00019721573195
                   +1 :               0.00004601598728
                4p
                   -1 :              -0.00009457298537
                   +0 :               0.00006619711980
                   +1 :              -0.00002530195823
                3d
                   -2 :              -0.00001602601432
                   -1 :              -0.00008096443291
                   +0 :               0.00000031421894
                   +1 :              -0.00000386292940
                   +2 :              -0.00002331605216
             13 vec=     2.593388    -16.228260     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00000463308659
                2p
                   -1 :               0.00000367235768
                   +0 :              -0.00002855133460
                   +1 :              -0.00001686212290
                3s
                   +0 :              -0.00004344025275
                4s
                   +0 :               0.00003595853158
                3p
                   -1 :               0.00001013241717
                   +0 :               0.00010350439095
                   +1 :               0.00018986063012
                4p
                   -1 :              -0.00000656027457
                   +0 :              -0.00002360838136
                   +1 :              -0.00004186994612
                3d
                   -2 :               0.00002017791088
                   -1 :              -0.00001352812950
                   +0 :               0.00002463361745
                   +1 :              -0.00001174826993
                   +2 :               0.00001063594960
             14 vec=   -12.966938     10.723014     -5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00006543280095
                2p
                   -1 :               0.00001196558418
                   +0 :               0.00002675907986
                   +1 :              -0.00002263726999
                3s
                   +0 :               0.00022826064820
                4s
                   +0 :               0.00007309978424
                3p
                   -1 :              -0.00011116698060
                   +0 :              -0.00025423866063
                   +1 :               0.00021554677816
                4p
                   -1 :               0.00011260073214
                   +0 :               0.00006347642151
                   +1 :              -0.00007880788814
                3d
                   -2 :              -0.00000308163334
                   -1 :              -0.00004417999845
                   +0 :               0.00002763190941
                   +1 :              -0.00001112767822
                   +2 :              -0.00001200939195
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al( 10)  npairs=  14
              1 vec=     2.593388      1.739256      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.03845778599958
                2p
                   -1 :               0.02228582491719
                   +0 :               0.02350482171319
                   +1 :               0.02809670340257
                3s
                   +0 :               0.07957135593201
                4s
                   +0 :               0.01700263802173
                3p
                   -1 :               0.05639300389322
                   +0 :               0.04576812433824
                   +1 :               0.02420790543306
                4p
                   -1 :               0.00892781733767
                   +0 :               0.01094170597885
                   +1 :               0.01889824463307
                3d
                   -2 :               0.03515879850741
                   -1 :               0.03498487059276
                   +0 :               0.00515847082554
                   +1 :               0.03581650700341
                   +2 :              -0.00693318181404
              2 vec=    -5.186775     -2.752623      1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00329744302860
                2p
                   -1 :              -0.00174999171140
                   +0 :               0.00141089753253
                   +1 :              -0.00136000417377
                3s
                   +0 :              -0.00145337465199
                4s
                   +0 :               0.00417024282680
                3p
                   -1 :               0.00837864018085
                   +0 :              -0.00767251787275
                   +1 :               0.00267780256075
                4p
                   -1 :              -0.00311644919825
                   +0 :               0.00276911247913
                   +1 :              -0.00108396484264
                3d
                   -2 :              -0.00411029556506
                   -1 :               0.00158428010794
                   +0 :               0.00284385953909
                   +1 :               0.00222187663015
                   +2 :              -0.00236077504925
              3 vec=     2.593388     -7.244502      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00035483183578
                2p
                   -1 :               0.00043823834976
                   +0 :              -0.00060698144366
                   +1 :               0.00017767556029
                3s
                   +0 :               0.00620604437963
                4s
                   +0 :              -0.00013420036931
                3p
                   -1 :              -0.00555691717607
                   +0 :               0.00668483313611
                   +1 :              -0.00119595315715
                4p
                   -1 :               0.00010062585151
                   +0 :              -0.00060003472529
                   +1 :              -0.00016837487023
                3d
                   -2 :               0.00052635451800
                   -1 :              -0.00298487480379
                   +0 :               0.00022815402371
                   +1 :               0.00044253660408
                   +2 :              -0.00143861056326
              4 vec=    -5.186775      6.231135      1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00108306428450
                2p
                   -1 :              -0.00053686568320
                   +0 :               0.00062639707834
                   +1 :              -0.00057815637377
                3s
                   +0 :              -0.00658494265002
                4s
                   +0 :               0.00173257479979
                3p
                   -1 :               0.00540231062549
                   +0 :              -0.00572999023886
                   +1 :               0.00471080024173
                4p
                   -1 :              -0.00061014041611
                   +0 :               0.00102299575317
                   +1 :              -0.00108052747110
                3d
                   -2 :              -0.00214649598202
                   -1 :               0.00123644151958
                   +0 :              -0.00083657409478
                   +1 :               0.00177957468811
                   +2 :              -0.00192475326430
              5 vec=    10.373550     -2.752623      1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00074826866302
                2p
                   -1 :              -0.00006531188784
                   +0 :               0.00013696473697
                   +1 :              -0.00048160914092
                3s
                   +0 :               0.00311199724336
                4s
                   +0 :              -0.00058917603043
                3p
                   -1 :              -0.00012789103403
                   +0 :              -0.00015574349968
                   +1 :               0.00249468857722
                4p
                   -1 :              -0.00013914964674
                   +0 :               0.00006413147836
                   +1 :              -0.00045534887742
                3d
                   -2 :               0.00021127612704
                   -1 :              -0.00017830686927
                   +0 :              -0.00037083340054
                   +1 :               0.00017224543134
                   +2 :               0.00069854120590
              6 vec=     2.593388     10.723014      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00056111811638
                2p
                   -1 :              -0.00008530346550
                   +0 :              -0.00012156019474
                   +1 :               0.00024049405687
                3s
                   +0 :              -0.00213177915691
                4s
                   +0 :              -0.00001738114853
                3p
                   -1 :               0.00058480578692
                   +0 :               0.00037810359173
                   +1 :              -0.00177494002963
                4p
                   -1 :              -0.00045278208453
                   +0 :              -0.00008706482774
                   +1 :               0.00025238167011
                3d
                   -2 :              -0.00070769866918
                   -1 :               0.00043650144936
                   +0 :              -0.00029856458864
                   +1 :              -0.00051638768199
                   +2 :              -0.00031902168148
              7 vec=    10.373550      6.231135      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00003892768987
                2p
                   -1 :              -0.00009934654399
                   +0 :               0.00008316988538
                   +1 :               0.00010778012247
                3s
                   +0 :               0.00055156248611
                4s
                   +0 :               0.00010294464062
                3p
                   -1 :               0.00049994613771
                   +0 :              -0.00016640324937
                   +1 :              -0.00003584046034
                4p
                   -1 :              -0.00022068718924
                   +0 :               0.00014462000516
                   +1 :               0.00014261478056
                3d
                   -2 :              -0.00007283904464
                   -1 :              -0.00012891122802
                   +0 :              -0.00009503392636
                   +1 :              -0.00015515841780
                   +2 :               0.00011132043943
              8 vec=    -5.186775    -11.736381      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00011075845365
                2p
                   -1 :               0.00003825952531
                   +0 :              -0.00014746697347
                   +1 :               0.00000250974751
                3s
                   +0 :              -0.00033501218403
                4s
                   +0 :               0.00005916737587
                3p
                   -1 :               0.00042124849707
                   +0 :               0.00025776488953
                   +1 :              -0.00028539858869
                4p
                   -1 :              -0.00006312730418
                   +0 :              -0.00014855590756
                   +1 :              -0.00000482545695
                3d
                   -2 :               0.00019024581308
                   -1 :               0.00008033073255
                   +0 :              -0.00011065489079
                   +1 :              -0.00009236846584
                   +2 :               0.00014964633124
              9 vec=   -12.966938      1.739256      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00027838281365
                2p
                   -1 :               0.00000026690542
                   +0 :               0.00007770032536
                   +1 :              -0.00009490293515
                3s
                   +0 :              -0.00262318073523
                4s
                   +0 :               0.00020030711046
                3p
                   -1 :              -0.00109152174398
                   +0 :              -0.00175040919260
                   +1 :               0.00126355170497
                4p
                   -1 :               0.00000087066764
                   +0 :               0.00023058270582
                   +1 :               0.00003166444947
                3d
                   -2 :               0.00043485798296
                   -1 :              -0.00040681120129
                   +0 :              -0.00014220322059
                   +1 :               0.00068524168307
                   +2 :              -0.00006046704738
             10 vec=   -12.966938     -7.244502      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00010692032051
                2p
                   -1 :              -0.00001973064085
                   +0 :              -0.00002596026588
                   +1 :               0.00002477168832
                3s
                   +0 :              -0.00050229324482
                4s
                   +0 :               0.00008144266061
                3p
                   -1 :               0.00010771019586
                   +0 :               0.00000732366160
                   +1 :              -0.00015526668795
                4p
                   -1 :               0.00001167441817
                   +0 :              -0.00005283906472
                   +1 :               0.00005014762399
                3d
                   -2 :               0.00005050255062
                   -1 :               0.00003868534426
                   +0 :              -0.00003289026846
                   +1 :              -0.00006466598558
                   +2 :               0.00002132529041
             11 vec=    10.373550    -11.736381      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00001309803525
                2p
                   -1 :              -0.00001484799484
                   +0 :              -0.00000833832446
                   +1 :              -0.00004765231360
                3s
                   +0 :              -0.00000442981924
                4s
                   +0 :              -0.00005201223258
                3p
                   -1 :               0.00006131148153
                   +0 :               0.00008627019320
                   +1 :               0.00028143617684
                4p
                   -1 :               0.00001817147003
                   +0 :              -0.00004404747440
                   +1 :              -0.00008597827049
                3d
                   -2 :              -0.00007371763207
                   -1 :               0.00000051846853
                   +0 :              -0.00000720682091
                   +1 :              -0.00000216994624
                   +2 :               0.00002772162171
             12 vec=    -5.186775     15.214893      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00000592190547
                2p
                   -1 :               0.00000123598048
                   +0 :               0.00002032528600
                   +1 :               0.00000124554781
                3s
                   +0 :               0.00009201821100
                4s
                   +0 :              -0.00010469520958
                3p
                   -1 :               0.00007688582115
                   +0 :              -0.00006805167261
                   +1 :              -0.00008280833944
                4p
                   -1 :              -0.00009529281501
                   +0 :              -0.00000295536277
                   +1 :               0.00001173046088
                3d
                   -2 :               0.00002430150774
                   -1 :              -0.00005779248375
                   +0 :               0.00002549755143
                   +1 :              -0.00004162791508
                   +2 :               0.00004981873451
             13 vec=     2.593388    -16.228260      1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00001166225124
                2p
                   -1 :               0.00000908487374
                   +0 :              -0.00003097486229
                   +1 :              -0.00001665452289
                3s
                   +0 :              -0.00008272661402
                4s
                   +0 :               0.00000446277319
                3p
                   -1 :               0.00006112241246
                   +0 :               0.00012337839510
                   +1 :               0.00004979347412
                4p
                   -1 :              -0.00000211153230
                   +0 :              -0.00004155332796
                   +1 :              -0.00000445375670
                3d
                   -2 :               0.00000901366525
                   -1 :              -0.00001266764093
                   +0 :               0.00001788977580
                   +1 :               0.00001549865009
                   +2 :               0.00001422664962
             14 vec=   -12.966938     10.723014      1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00002621004487
                2p
                   -1 :              -0.00000377196188
                   +0 :              -0.00001051164591
                   +1 :              -0.00000763283403
                3s
                   +0 :              -0.00033556630057
                4s
                   +0 :               0.00010295664849
                3p
                   -1 :              -0.00006471215643
                   +0 :              -0.00000590695332
                   +1 :               0.00015805370241
                4p
                   -1 :               0.00000239436747
                   +0 :              -0.00001733213407
                   +1 :              -0.00005610127432
                3d
                   -2 :               0.00001074478325
                   -1 :              -0.00001140696412
                   +0 :               0.00000119750299
                   +1 :               0.00002978318897
                   +2 :              -0.00001545875810
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al( 11)  npairs=  15
              1 vec=     2.593388      1.739256    -10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00077276924408
                2p
                   -1 :              -0.00024764161095
                   +0 :              -0.00022452050942
                   +1 :               0.00003531677199
                3s
                   +0 :              -0.00223623593456
                4s
                   +0 :               0.00057878056202
                3p
                   -1 :               0.00104123489443
                   +0 :               0.00091381673523
                   +1 :              -0.00088299783602
                4p
                   -1 :              -0.00020424223603
                   +0 :              -0.00017363140497
                   +1 :               0.00002900826802
                3d
                   -2 :              -0.00014767387035
                   -1 :              -0.00012990925583
                   +0 :               0.00039589628388
                   +1 :               0.00029213034898
                   +2 :               0.00008156142002
              2 vec=    -5.186775     -2.752623    -10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00043474300168
                2p
                   -1 :               0.00024463638341
                   +0 :              -0.00016156337064
                   +1 :              -0.00026561872287
                3s
                   +0 :              -0.00184899080170
                4s
                   +0 :               0.00054877205547
                3p
                   -1 :              -0.00127187594970
                   +0 :               0.00083873080243
                   +1 :               0.00130093251583
                4p
                   -1 :               0.00027430140648
                   +0 :              -0.00024270653474
                   +1 :              -0.00027690956703
                3d
                   -2 :               0.00019442027130
                   -1 :               0.00031146556312
                   +0 :               0.00013844931150
                   +1 :              -0.00021999653430
                   +2 :              -0.00006675272715
              3 vec=     2.593388     -7.244502    -10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00011039636864
                2p
                   -1 :              -0.00000531720927
                   +0 :               0.00000459892864
                   +1 :               0.00016405752588
                3s
                   +0 :               0.00127479612024
                4s
                   +0 :              -0.00031934191351
                3p
                   -1 :              -0.00090291544363
                   +0 :              -0.00092025354117
                   +1 :              -0.00093832353145
                4p
                   -1 :               0.00008202587862
                   +0 :               0.00010915134362
                   +1 :               0.00016428133318
                3d
                   -2 :              -0.00001602653511
                   -1 :               0.00028613085280
                   +0 :               0.00008681988237
                   +1 :               0.00012674234882
                   +2 :              -0.00021728176729
              4 vec=    -5.186775      6.231135    -10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00017349083680
                2p
                   -1 :              -0.00004277879621
                   +0 :               0.00002625375497
                   +1 :              -0.00034573748393
                3s
                   +0 :               0.00041084896671
                4s
                   +0 :               0.00004158274208
                3p
                   -1 :               0.00029512370027
                   +0 :               0.00009870802272
                   +1 :               0.00147570492979
                4p
                   -1 :              -0.00003233037417
                   +0 :              -0.00017708413880
                   +1 :              -0.00033022838540
                3d
                   -2 :              -0.00006046137501
                   -1 :              -0.00016719720407
                   +0 :              -0.00022896901489
                   +1 :              -0.00033841303769
                   +2 :              -0.00007229638130
              5 vec=     2.593388      1.739256     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00009339072873
                2p
                   -1 :              -0.00000898316960
                   +0 :              -0.00002246394296
                   +1 :               0.00006904057237
                3s
                   +0 :              -0.00011660231328
                4s
                   +0 :              -0.00000184280250
                3p
                   -1 :               0.00004240879442
                   +0 :               0.00018255001767
                   +1 :              -0.00035257000665
                4p
                   -1 :              -0.00001861161388
                   +0 :              -0.00008189386167
                   +1 :               0.00011425172213
                3d
                   -2 :               0.00000998935006
                   -1 :              -0.00000811533636
                   +0 :               0.00002901485955
                   +1 :               0.00003829663118
                   +2 :               0.00002279540803
              6 vec=    -5.186775     -2.752623     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00004562709514
                2p
                   -1 :              -0.00000838745599
                   +0 :              -0.00000807155530
                   +1 :              -0.00001971903052
                3s
                   +0 :               0.00019680927220
                4s
                   +0 :               0.00000544193864
                3p
                   -1 :               0.00004033539881
                   +0 :               0.00008203903200
                   +1 :              -0.00003588966678
                4p
                   -1 :              -0.00003728881501
                   +0 :               0.00001136710176
                   +1 :              -0.00002102455426
                3d
                   -2 :               0.00000088597334
                   -1 :               0.00001006385002
                   +0 :               0.00001206993226
                   +1 :              -0.00001680507123
                   +2 :               0.00006171257528
              7 vec=    10.373550     -2.752623    -10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00006875038560
                2p
                   -1 :              -0.00001691764593
                   +0 :              -0.00001859143531
                   +1 :              -0.00003275042987
                3s
                   +0 :               0.00036647984392
                4s
                   +0 :              -0.00002831235129
                3p
                   -1 :               0.00023732265572
                   +0 :               0.00007308048971
                   +1 :               0.00025395300446
                4p
                   -1 :              -0.00005139601501
                   +0 :              -0.00002856143002
                   +1 :              -0.00003774170606
                3d
                   -2 :               0.00006443250166
                   -1 :              -0.00008377398713
                   +0 :              -0.00001945264698
                   +1 :              -0.00003474873732
                   +2 :               0.00004594107903
              8 vec=     2.593388     10.723014    -10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00015288426733
                2p
                   -1 :              -0.00003757592790
                   +0 :               0.00004191216914
                   +1 :              -0.00005362762065
                3s
                   +0 :               0.00036620052916
                4s
                   +0 :              -0.00000042799677
                3p
                   -1 :              -0.00000048057219
                   +0 :              -0.00014876966572
                   +1 :               0.00009572840216
                4p
                   -1 :               0.00008056513478
                   +0 :               0.00001821851364
                   +1 :               0.00001154113586
                3d
                   -2 :               0.00000788910168
                   -1 :              -0.00000234324972
                   +0 :               0.00003743260290
                   +1 :              -0.00000005624091
                   +2 :               0.00004256041088
              9 vec=     2.593388     -7.244502     13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00002314129786
                2p
                   -1 :              -0.00000277897273
                   +0 :              -0.00006212841380
                   +1 :               0.00000132775565
                3s
                   +0 :              -0.00014116152469
                4s
                   +0 :              -0.00003073973380
                3p
                   -1 :               0.00011509265040
                   +0 :               0.00038200371215
                   +1 :              -0.00014321211493
                4p
                   -1 :              -0.00000937986611
                   +0 :              -0.00014404819431
                   +1 :              -0.00001080285535
                3d
                   -2 :               0.00008773925064
                   -1 :              -0.00002287309522
                   +0 :               0.00011407609854
                   +1 :              -0.00000785086405
                   +2 :              -0.00001187688574
             10 vec=    -5.186775      6.231135     13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00007114549310
                2p
                   -1 :               0.00001210295333
                   +0 :              -0.00004502106133
                   +1 :               0.00003887660383
                3s
                   +0 :              -0.00004294915416
                4s
                   +0 :              -0.00002117608011
                3p
                   -1 :              -0.00031866629407
                   +0 :               0.00013016669801
                   +1 :              -0.00015491689609
                4p
                   -1 :               0.00003490469372
                   +0 :              -0.00000869849718
                   +1 :              -0.00000433410689
                3d
                   -2 :               0.00001333968009
                   -1 :               0.00004482016332
                   +0 :               0.00006945066881
                   +1 :               0.00001307290418
                   +2 :               0.00006812919687
             11 vec=    10.373550      6.231135    -10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00039507016498
                2p
                   -1 :               0.00008793430971
                   +0 :              -0.00017466974000
                   +1 :               0.00011031342196
                3s
                   +0 :              -0.00129517397282
                4s
                   +0 :               0.00044032038021
                3p
                   -1 :              -0.00037681904323
                   +0 :               0.00088347273801
                   +1 :              -0.00040588440302
                4p
                   -1 :               0.00006449162628
                   +0 :              -0.00024421809815
                   +1 :               0.00010637107524
                3d
                   -2 :              -0.00002206667895
                   -1 :               0.00006205687581
                   +0 :              -0.00009429450012
                   +1 :               0.00013973212045
                   +2 :              -0.00002631774027
             12 vec=    -5.186775    -11.736381    -10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00014002352528
                2p
                   -1 :              -0.00004411676320
                   +0 :              -0.00005248080164
                   +1 :              -0.00002551270215
                3s
                   +0 :              -0.00071806819156
                4s
                   +0 :               0.00017430876798
                3p
                   -1 :               0.00032880027625
                   +0 :               0.00029766051041
                   +1 :               0.00016104362872
                4p
                   -1 :              -0.00004872233739
                   +0 :              -0.00006156006234
                   +1 :              -0.00004976109517
                3d
                   -2 :              -0.00006562729722
                   -1 :              -0.00008770786076
                   +0 :              -0.00007034250418
                   +1 :              -0.00005322810894
                   +2 :               0.00003358042799
             13 vec=   -12.966938      1.739256    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00004727085145
                2p
                   -1 :               0.00005044547431
                   +0 :              -0.00002550732229
                   +1 :              -0.00002130389635
                3s
                   +0 :              -0.00004919752038
                4s
                   +0 :              -0.00000196660163
                3p
                   -1 :              -0.00030909671939
                   +0 :               0.00009158119096
                   +1 :               0.00003244475375
                4p
                   -1 :               0.00005941826514
                   +0 :              -0.00000455878977
                   +1 :               0.00003062563153
                3d
                   -2 :              -0.00000234573160
                   -1 :               0.00000440043547
                   +0 :              -0.00003554028384
                   +1 :              -0.00000436828634
                   +2 :              -0.00001070695542
             14 vec=    10.373550     -2.752623     13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00007102452112
                2p
                   -1 :               0.00003046989766
                   +0 :              -0.00000687205832
                   +1 :              -0.00002064446218
                3s
                   +0 :               0.00042729706989
                4s
                   +0 :              -0.00006511371905
                3p
                   -1 :              -0.00024858027154
                   +0 :               0.00008008721951
                   +1 :               0.00022546030294
                4p
                   -1 :               0.00002977227770
                   +0 :              -0.00001841086802
                   +1 :              -0.00001197214599
                3d
                   -2 :              -0.00008268230713
                   -1 :              -0.00002523904769
                   +0 :              -0.00005026175862
                   +1 :               0.00001129965869
                   +2 :              -0.00001277631933
             15 vec=     2.593388     10.723014     13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00009701653299
                2p
                   -1 :               0.00006153242223
                   +0 :              -0.00000425718993
                   +1 :               0.00000641534998
                3s
                   +0 :              -0.00032549350089
                4s
                   +0 :               0.00006610326888
                3p
                   -1 :              -0.00029968208047
                   +0 :               0.00004956460454
                   +1 :              -0.00004913969660
                4p
                   -1 :               0.00004614634793
                   +0 :              -0.00003003258154
                   +1 :               0.00001397549621
                3d
                   -2 :              -0.00002892426284
                   -1 :              -0.00001698393626
                   +0 :               0.00003677433564
                   +1 :               0.00000875990454
                   +2 :               0.00005009089229
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site Al( 12)  npairs=  13
              1 vec=     2.593388      1.739256      6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00030834790989
                2p
                   -1 :              -0.00017467574970
                   +0 :              -0.00056967771175
                   +1 :               0.00013298806230
                3s
                   +0 :              -0.00060155991362
                4s
                   +0 :              -0.00052951321213
                3p
                   -1 :               0.00452042512804
                   +0 :              -0.00067356538175
                   +1 :              -0.00083176823615
                4p
                   -1 :              -0.00066022483130
                   +0 :              -0.00072764994521
                   +1 :              -0.00088507313744
                3d
                   -2 :               0.00090561711733
                   -1 :               0.00055096243962
                   +0 :              -0.00089387453161
                   +1 :              -0.00184589057161
                   +2 :              -0.00122676237205
              2 vec=    -5.186775     -2.752623      6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00204271833568
                2p
                   -1 :               0.00022871072118
                   +0 :               0.00030919034881
                   +1 :              -0.00041589437467
                3s
                   +0 :              -0.01865794254565
                4s
                   +0 :               0.00315432366503
                3p
                   -1 :               0.00223203242780
                   +0 :              -0.00910968200111
                   +1 :               0.00882074871431
                4p
                   -1 :               0.00061190639379
                   +0 :               0.00081858320266
                   +1 :              -0.00079217810237
                3d
                   -2 :              -0.00180299389692
                   -1 :               0.00129934689893
                   +0 :              -0.00069236786557
                   +1 :               0.00298130293130
                   +2 :              -0.00164633692038
              3 vec=     2.593388     -7.244502      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00095077503754
                2p
                   -1 :              -0.00040780738433
                   +0 :               0.00050683279506
                   +1 :               0.00014180970144
                3s
                   +0 :              -0.00358026592143
                4s
                   +0 :               0.00165227714453
                3p
                   -1 :               0.00201342788159
                   +0 :              -0.00333291188176
                   +1 :              -0.00098383868849
                4p
                   -1 :              -0.00072193232525
                   +0 :               0.00090477909330
                   +1 :               0.00019316691372
                3d
                   -2 :               0.00025716485892
                   -1 :               0.00055638966710
                   +0 :               0.00010139176076
                   +1 :              -0.00024538006235
                   +2 :               0.00024507971059
              4 vec=    -5.186775      6.231135      6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00120278645370
                2p
                   -1 :               0.00052685076909
                   +0 :               0.00020062885291
                   +1 :              -0.00018509255660
                3s
                   +0 :              -0.00502979531365
                4s
                   +0 :               0.00166728419254
                3p
                   -1 :              -0.00300644148470
                   +0 :              -0.00192099725370
                   +1 :               0.00139446078930
                4p
                   -1 :               0.00083313233870
                   +0 :               0.00048727108261
                   +1 :              -0.00037579507474
                3d
                   -2 :               0.00036930204238
                   -1 :              -0.00082241097078
                   +0 :               0.00005239663248
                   +1 :              -0.00006338590621
                   +2 :               0.00037622177419
              5 vec=    10.373550     -2.752623      6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00024029429658
                2p
                   -1 :              -0.00012002206439
                   +0 :               0.00006340131454
                   +1 :               0.00027189247597
                3s
                   +0 :               0.00014851646496
                4s
                   +0 :               0.00005147924397
                3p
                   -1 :               0.00023085800800
                   +0 :               0.00017827162516
                   +1 :              -0.00084686241972
                4p
                   -1 :              -0.00008248855292
                   +0 :               0.00005406335478
                   +1 :               0.00031020170193
                3d
                   -2 :               0.00002944215379
                   -1 :               0.00001590400664
                   +0 :               0.00006517851751
                   +1 :               0.00005874714758
                   +2 :               0.00007305783277
              6 vec=     2.593388     10.723014      6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00006023347545
                2p
                   -1 :               0.00007591388708
                   +0 :               0.00017877892235
                   +1 :              -0.00001787174756
                3s
                   +0 :               0.00063186796717
                4s
                   +0 :               0.00000872958258
                3p
                   -1 :               0.00007972609248
                   +0 :              -0.00044994670527
                   +1 :               0.00006073481276
                4p
                   -1 :               0.00006309403021
                   +0 :               0.00014230483534
                   +1 :              -0.00000788988466
                3d
                   -2 :               0.00002841420366
                   -1 :              -0.00008502737684
                   +0 :              -0.00022593608837
                   +1 :              -0.00003095374137
                   +2 :              -0.00017936739236
              7 vec=    10.373550      6.231135      6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00008586507182
                2p
                   -1 :              -0.00022064051444
                   +0 :              -0.00000158299544
                   +1 :              -0.00000592277601
                3s
                   +0 :               0.00083037834280
                4s
                   +0 :              -0.00048672784023
                3p
                   -1 :               0.00114522395026
                   +0 :               0.00017269735201
                   +1 :               0.00057496133019
                4p
                   -1 :              -0.00034718197928
                   +0 :              -0.00010619449179
                   +1 :              -0.00038056910830
                3d
                   -2 :               0.00002921826728
                   -1 :               0.00005761981572
                   +0 :              -0.00010812846477
                   +1 :              -0.00000108318599
                   +2 :               0.00014837351969
              8 vec=    -5.186775    -11.736381      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00002756492472
                2p
                   -1 :               0.00005853683706
                   +0 :               0.00003625256196
                   +1 :              -0.00006379897830
                3s
                   +0 :               0.00003900853885
                4s
                   +0 :              -0.00013181003020
                3p
                   -1 :              -0.00047403481158
                   +0 :              -0.00011305729525
                   +1 :               0.00017519309885
                4p
                   -1 :               0.00023009182402
                   +0 :              -0.00002449914474
                   +1 :              -0.00001733244809
                3d
                   -2 :               0.00007177155825
                   -1 :              -0.00000764176833
                   +0 :              -0.00001490127921
                   +1 :               0.00007050220014
                   +2 :              -0.00007539529749
              9 vec=   -12.966938      1.739256      6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00010699902916
                2p
                   -1 :               0.00005807752115
                   +0 :              -0.00002953514834
                   +1 :               0.00007735975128
                3s
                   +0 :               0.00011606026741
                4s
                   +0 :               0.00003858253361
                3p
                   -1 :              -0.00038648352405
                   +0 :              -0.00000022388320
                   +1 :              -0.00034758902520
                4p
                   -1 :               0.00010626517280
                   +0 :               0.00003081071049
                   +1 :               0.00004900999260
                3d
                   -2 :               0.00007833199708
                   -1 :              -0.00006319526814
                   +0 :              -0.00005361995059
                   +1 :              -0.00005382554900
                   +2 :              -0.00000774560914
             10 vec=   -12.966938     -7.244502      6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00013842067703
                2p
                   -1 :               0.00000069252757
                   +0 :               0.00003885504896
                   +1 :              -0.00006025566040
                3s
                   +0 :              -0.00042847738788
                4s
                   +0 :               0.00007437434973
                3p
                   -1 :              -0.00005425946887
                   +0 :              -0.00017457048003
                   +1 :               0.00025284382470
                4p
                   -1 :               0.00004350071845
                   +0 :               0.00004532029113
                   +1 :              -0.00002435812624
                3d
                   -2 :               0.00001695368312
                   -1 :               0.00002356473333
                   +0 :              -0.00001589496383
                   +1 :               0.00002953461438
                   +2 :              -0.00005692330019
             11 vec=    10.373550    -11.736381      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00005553456158
                2p
                   -1 :               0.00000590412011
                   +0 :              -0.00002696255008
                   +1 :              -0.00004289881607
                3s
                   +0 :               0.00031625587108
                4s
                   +0 :              -0.00009075568494
                3p
                   -1 :              -0.00005786930709
                   +0 :               0.00019246592697
                   +1 :               0.00025798866563
                4p
                   -1 :               0.00001310048464
                   +0 :              -0.00003627365218
                   +1 :              -0.00004756457808
                3d
                   -2 :               0.00000361373874
                   -1 :              -0.00001409221815
                   +0 :               0.00002045375051
                   +1 :               0.00004861092544
                   +2 :               0.00004143260403
             12 vec=    -5.186775     15.214893      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00003529328193
                2p
                   -1 :              -0.00001675544134
                   +0 :              -0.00003286598395
                   +1 :               0.00000234681317
                3s
                   +0 :               0.00003149062065
                4s
                   +0 :              -0.00003090579346
                3p
                   -1 :               0.00002384057609
                   +0 :               0.00013835516770
                   +1 :              -0.00001204627124
                4p
                   -1 :              -0.00000840937240
                   +0 :              -0.00003973165156
                   +1 :               0.00000137889093
                3d
                   -2 :               0.00001207463348
                   -1 :               0.00003022485833
                   +0 :               0.00000764087450
                   +1 :              -0.00000046629014
                   +2 :               0.00001276329883
             13 vec=     2.593388    -16.228260      6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00002119058563
                2p
                   -1 :              -0.00001660218990
                   +0 :              -0.00000313453086
                   +1 :               0.00001467135108
                3s
                   +0 :              -0.00010851353412
                4s
                   +0 :               0.00004441919825
                3p
                   -1 :               0.00013435610753
                   +0 :               0.00000192931285
                   +1 :              -0.00004429181049
                4p
                   -1 :              -0.00005040213968
                   +0 :               0.00000503398142
                   +1 :              -0.00000924322556
                3d
                   -2 :              -0.00000432253224
                   -1 :              -0.00001128462503
                   +0 :               0.00001456593019
                   +1 :              -0.00001388263497
                   +2 :               0.00001143925346
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 13)  npairs=  12
              1 vec=     2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00288576133364
                2s
                   +0 :               0.05298698900879
                3s
                   +0 :              -0.00655507710456
                2p
                   -1 :              -0.02586975174212
                   +0 :              -0.00333507582895
                   +1 :               0.00686280277906
                3p
                   -1 :               0.00173578063783
                   +0 :               0.00353681014713
                   +1 :              -0.00166451894560
                3d
                   -2 :              -0.00029121456015
                   -1 :               0.00063312639939
                   +0 :              -0.00115810149126
                   +1 :               0.00032690705489
                   +2 :              -0.00204930350697
              2 vec=    -5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00149821001843
                2s
                   +0 :              -0.05117168889058
                3s
                   +0 :              -0.00044009727710
                2p
                   -1 :              -0.00362958328493
                   +0 :              -0.00020068204706
                   +1 :               0.04324535671193
                3p
                   -1 :               0.00318882917373
                   +0 :               0.00238089968441
                   +1 :               0.00089207589073
                3d
                   -2 :              -0.00010973576125
                   -1 :              -0.00118536410013
                   +0 :               0.00154121330004
                   +1 :              -0.00049689408121
                   +2 :              -0.00305314378264
              3 vec=     2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00033302546183
                2s
                   +0 :               0.01972523084579
                3s
                   +0 :               0.00421652366998
                2p
                   -1 :               0.01285860113988
                   +0 :              -0.00454837323442
                   +1 :               0.00273777976057
                3p
                   -1 :               0.00890514148201
                   +0 :               0.00481160982229
                   +1 :               0.00037258535442
                3d
                   -2 :               0.00131833086799
                   -1 :               0.00037598384980
                   +0 :              -0.00106189080677
                   +1 :               0.00023333174914
                   +2 :              -0.00203259014324
              4 vec=    -5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00009023983957
                2s
                   +0 :              -0.00164231504777
                3s
                   +0 :              -0.00002912405584
                2p
                   -1 :               0.00261026709326
                   +0 :               0.00057877889820
                   +1 :               0.00155394632724
                3p
                   -1 :              -0.00052505226992
                   +0 :              -0.00048121271582
                   +1 :              -0.00016158514245
                3d
                   -2 :              -0.00004350837478
                   -1 :              -0.00000488231750
                   +0 :              -0.00005503613196
                   +1 :               0.00006319303368
                   +2 :               0.00001870515613
              5 vec=    10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00089568205476
                2s
                   +0 :               0.00801536581382
                3s
                   +0 :              -0.00183361260684
                2p
                   -1 :              -0.00163015921233
                   +0 :              -0.00084595511340
                   +1 :               0.00633862920361
                3p
                   -1 :               0.00121954300713
                   +0 :               0.00065552398729
                   +1 :              -0.00071983071072
                3d
                   -2 :               0.00016723336803
                   -1 :               0.00001791367228
                   +0 :              -0.00021091123551
                   +1 :               0.00007371582745
                   +2 :               0.00023999970568
              6 vec=    -5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00065679815345
                2s
                   +0 :              -0.00500922916506
                3s
                   +0 :               0.00185376289512
                2p
                   -1 :              -0.00428972485980
                   +0 :               0.00109041199497
                   +1 :               0.00190509837754
                3p
                   -1 :               0.00167486547662
                   +0 :              -0.00090172964578
                   +1 :              -0.00065442827640
                3d
                   -2 :              -0.00003080044969
                   -1 :              -0.00005624522989
                   +0 :              -0.00000733648466
                   +1 :               0.00005846778447
                   +2 :              -0.00003816931856
              7 vec=     2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00001224543165
                2s
                   +0 :              -0.00021170493222
                3s
                   +0 :               0.00001430751239
                2p
                   -1 :               0.00032361495305
                   +0 :               0.00001414910686
                   +1 :               0.00001558496977
                3p
                   -1 :              -0.00014170974732
                   +0 :              -0.00008874520065
                   +1 :              -0.00007202279171
                3d
                   -2 :               0.00001154791164
                   -1 :               0.00000831495035
                   +0 :              -0.00002442468911
                   +1 :               0.00001337595253
                   +2 :               0.00002335778669
              8 vec=    10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00000630460173
                2s
                   +0 :               0.00035675828105
                3s
                   +0 :              -0.00001012271327
                2p
                   -1 :              -0.00007318081825
                   +0 :               0.00014301195743
                   +1 :               0.00013398133282
                3p
                   -1 :               0.00004910779506
                   +0 :              -0.00017202349651
                   +1 :               0.00002834264801
                3d
                   -2 :               0.00002458970737
                   -1 :               0.00001172429641
                   +0 :              -0.00000743005547
                   +1 :              -0.00003402983206
                   +2 :               0.00000548542365
              9 vec=   -13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00002217057586
                2s
                   +0 :              -0.00011064890407
                3s
                   +0 :              -0.00013062789903
                2p
                   -1 :               0.00003286472363
                   +0 :               0.00018542992043
                   +1 :               0.00008097551176
                3p
                   -1 :               0.00024415310005
                   +0 :              -0.00014909100255
                   +1 :               0.00000999909608
                3d
                   -2 :              -0.00001950499770
                   -1 :              -0.00000921405455
                   +0 :               0.00001629645483
                   +1 :              -0.00000253437905
                   +2 :               0.00004460588358
             10 vec=    10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00004078832897
                2s
                   +0 :               0.00067594635549
                3s
                   +0 :              -0.00005250894693
                2p
                   -1 :              -0.00007378802944
                   +0 :              -0.00003883911626
                   +1 :               0.00045229806356
                3p
                   -1 :               0.00025100061063
                   +0 :               0.00008221765941
                   +1 :              -0.00010966150701
                3d
                   -2 :               0.00003057128300
                   -1 :               0.00000348426896
                   +0 :              -0.00003130254865
                   +1 :               0.00002634903086
                   +2 :              -0.00001640721092
             11 vec=   -13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00001604040037
                2s
                   +0 :              -0.00041574894838
                3s
                   +0 :               0.00004030515061
                2p
                   -1 :              -0.00062494321725
                   +0 :              -0.00013758080256
                   +1 :               0.00027554643372
                3p
                   -1 :               0.00020507547870
                   +0 :               0.00026461543216
                   +1 :              -0.00007129684439
                3d
                   -2 :              -0.00000558801695
                   -1 :              -0.00001272382847
                   +0 :               0.00000861350059
                   +1 :               0.00000011799388
                   +2 :               0.00000428036928
             12 vec=     2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00008281364899
                2s
                   +0 :              -0.00056353269017
                3s
                   +0 :               0.00023812404268
                2p
                   -1 :              -0.00054674898976
                   +0 :               0.00016147209709
                   +1 :              -0.00012637289838
                3p
                   -1 :               0.00033986835752
                   +0 :              -0.00015670305612
                   +1 :              -0.00002954842934
                3d
                   -2 :              -0.00000206969687
                   -1 :              -0.00000909631447
                   +0 :              -0.00001634485158
                   +1 :              -0.00001084448776
                   +2 :              -0.00000529683269
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 14)  npairs=  12
              1 vec=    -2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00274141431433
                2s
                   +0 :              -0.05320216207827
                3s
                   +0 :               0.00625998733684
                2p
                   -1 :               0.02502008213441
                   +0 :               0.00098204159593
                   +1 :               0.00929313366606
                3p
                   -1 :               0.00020804643446
                   +0 :               0.00002076931837
                   +1 :              -0.00248805066612
                3d
                   -2 :              -0.00034864381341
                   -1 :              -0.00025737234442
                   +0 :               0.00141269794869
                   +1 :              -0.00068933173882
                   +2 :               0.00229491325847
              2 vec=    -2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00113144268291
                2s
                   +0 :              -0.01526559819220
                3s
                   +0 :              -0.00666887945146
                2p
                   -1 :              -0.01563375852408
                   +0 :              -0.00281193729258
                   +1 :              -0.00234620976521
                3p
                   -1 :              -0.00731944287175
                   +0 :               0.00404974293752
                   +1 :               0.00476649852304
                3d
                   -2 :               0.00153064499978
                   -1 :               0.00034611884402
                   +0 :               0.00108434248582
                   +1 :              -0.00045298217196
                   +2 :               0.00191179604865
              3 vec=     5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00173076849185
                2s
                   +0 :               0.05260803344229
                3s
                   +0 :              -0.00011688438977
                2p
                   -1 :               0.00398658260675
                   +0 :              -0.00411238726348
                   +1 :               0.04210267128662
                3p
                   -1 :              -0.00320003141392
                   +0 :               0.00350659393851
                   +1 :               0.00164583256328
                3d
                   -2 :              -0.00001889284511
                   -1 :              -0.00116243640054
                   +0 :              -0.00152764574108
                   +1 :               0.00066373036647
                   +2 :               0.00299348173255
              4 vec=   -10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00074519406353
                2s
                   +0 :              -0.00680544387015
                3s
                   +0 :               0.00138694434219
                2p
                   -1 :               0.00160325780666
                   +0 :               0.00139195446168
                   +1 :               0.00576762768043
                3p
                   -1 :              -0.00132818553240
                   +0 :              -0.00077644200813
                   +1 :              -0.00032197461864
                3d
                   -2 :               0.00018587446217
                   -1 :               0.00018479160409
                   +0 :               0.00019779928650
                   +1 :              -0.00018790140425
                   +2 :              -0.00029349546712
              5 vec=     5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00011093656996
                2s
                   +0 :               0.00170974708986
                3s
                   +0 :              -0.00000524270599
                2p
                   -1 :              -0.00268329579719
                   +0 :               0.00049952985341
                   +1 :               0.00169248216129
                3p
                   -1 :               0.00055439781184
                   +0 :              -0.00035217685428
                   +1 :              -0.00029885352849
                3d
                   -2 :              -0.00008582362679
                   -1 :              -0.00002542185457
                   +0 :               0.00002361038202
                   +1 :              -0.00000882155546
                   +2 :              -0.00003097551282
              6 vec=     5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00064173681705
                2s
                   +0 :               0.00475426190130
                3s
                   +0 :              -0.00174216126767
                2p
                   -1 :               0.00458037985214
                   +0 :               0.00115759540770
                   +1 :               0.00190538227953
                3p
                   -1 :              -0.00199956898455
                   +0 :              -0.00114269497138
                   +1 :              -0.00078504823608
                3d
                   -2 :              -0.00004692423304
                   -1 :              -0.00005288058693
                   +0 :              -0.00000573997707
                   +1 :              -0.00001704586223
                   +2 :               0.00001637204608
              7 vec=   -10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00001496851981
                2s
                   +0 :              -0.00024305113931
                3s
                   +0 :              -0.00009851714773
                2p
                   -1 :              -0.00011710126429
                   +0 :               0.00002301707877
                   +1 :               0.00018367656340
                3p
                   -1 :               0.00007816596821
                   +0 :              -0.00001568451189
                   +1 :               0.00001961829104
                3d
                   -2 :              -0.00000298493119
                   -1 :              -0.00000089969796
                   +0 :               0.00000289917758
                   +1 :              -0.00000188698465
                   +2 :              -0.00001099305950
              8 vec=    -2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00000933225203
                2s
                   +0 :               0.00012728944271
                3s
                   +0 :              -0.00000533499758
                2p
                   -1 :              -0.00015489716525
                   +0 :               0.00002864382659
                   +1 :               0.00013409048906
                3p
                   -1 :               0.00001685400257
                   +0 :              -0.00004226210041
                   +1 :              -0.00025214959986
                3d
                   -2 :               0.00002756333479
                   -1 :               0.00000720776617
                   +0 :               0.00001436733805
                   +1 :              -0.00001713215235
                   +2 :              -0.00002019825380
              9 vec=   -10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00006339048867
                2s
                   +0 :              -0.00077925623592
                3s
                   +0 :               0.00015493826151
                2p
                   -1 :              -0.00007589613595
                   +0 :              -0.00006524350608
                   +1 :               0.00041549376653
                3p
                   -1 :              -0.00005000850471
                   +0 :               0.00006654855569
                   +1 :              -0.00008034757495
                3d
                   -2 :               0.00002427033316
                   -1 :               0.00001483986411
                   +0 :               0.00001159015801
                   +1 :              -0.00000423582099
                   +2 :               0.00002782286732
             10 vec=    13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00000370999262
                2s
                   +0 :               0.00030760093996
                3s
                   +0 :               0.00010432512887
                2p
                   -1 :              -0.00016666650764
                   +0 :               0.00010734940402
                   +1 :               0.00010017602949
                3p
                   -1 :              -0.00014674162097
                   +0 :              -0.00007371171304
                   +1 :               0.00008481225393
                3d
                   -2 :              -0.00003323655590
                   -1 :              -0.00001271930949
                   +0 :              -0.00002670079719
                   +1 :               0.00000216442603
                   +2 :              -0.00004069515002
             11 vec=    -2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00000969351447
                2s
                   +0 :               0.00010221846678
                3s
                   +0 :              -0.00001931253258
                2p
                   -1 :               0.00011243839269
                   +0 :               0.00005830461697
                   +1 :              -0.00014545829862
                3p
                   -1 :               0.00005447996021
                   +0 :              -0.00005155759818
                   +1 :              -0.00003261540257
                3d
                   -2 :              -0.00001598443226
                   -1 :              -0.00000389232205
                   +0 :              -0.00000889596657
                   +1 :              -0.00000583497731
                   +2 :              -0.00002881944241
             12 vec=    13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00005901239929
                2s
                   +0 :               0.00065864545248
                3s
                   +0 :              -0.00013126320409
                2p
                   -1 :               0.00074441307596
                   +0 :              -0.00030659339418
                   +1 :               0.00064960591479
                3p
                   -1 :              -0.00034473827519
                   +0 :               0.00014214320451
                   +1 :              -0.00041269606025
                3d
                   -2 :              -0.00002514157687
                   -1 :              -0.00000622186004
                   +0 :               0.00000385738891
                   +1 :               0.00000473456893
                   +2 :              -0.00000917535835
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 15)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00004747175435
                2s
                   +0 :              -0.00101079444293
                3s
                   +0 :              -0.00083262079948
                2p
                   -1 :              -0.00007274422146
                   +0 :              -0.03245031088836
                   +1 :               0.88949222300664
                3p
                   -1 :              -0.00162251578804
                   +0 :               0.01081673925806
                   +1 :              -0.04410242908791
                3d
                   -2 :               0.00339879939548
                   -1 :               0.00263229375287
                   +0 :              -0.00033215866128
                   +1 :               0.00096796785627
                   +2 :               0.00026258524895
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00025819659246
                2s
                   +0 :              -0.00101121007045
                3s
                   +0 :               0.00072614038723
                2p
                   -1 :               0.00248767893663
                   +0 :              -0.00081318816299
                   +1 :              -0.00039722998256
                3p
                   -1 :              -0.00146101836319
                   +0 :               0.00091424881540
                   +1 :               0.00023059193640
                3d
                   -2 :               0.00015264692863
                   -1 :               0.00004342555043
                   +0 :               0.00006858314121
                   +1 :              -0.00001879991490
                   +2 :               0.00001448590925
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00020724108202
                2s
                   +0 :              -0.00120982818014
                3s
                   +0 :               0.00046256944304
                2p
                   -1 :              -0.00267784322920
                   +0 :              -0.00029020877003
                   +1 :              -0.00029711859628
                3p
                   -1 :               0.00094244986406
                   +0 :               0.00034305231849
                   +1 :              -0.00000377709815
                3d
                   -2 :               0.00011255651838
                   -1 :              -0.00003870308367
                   +0 :              -0.00006789979004
                   +1 :              -0.00010554394486
                   +2 :               0.00003445929931
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00004799772125
                2s
                   +0 :              -0.00022335254651
                3s
                   +0 :               0.00009799562354
                2p
                   -1 :              -0.00014796321002
                   +0 :               0.00098046328707
                   +1 :              -0.00308470573315
                3p
                   -1 :               0.00001444307930
                   +0 :              -0.00104776486005
                   +1 :               0.00051083518341
                3d
                   -2 :               0.00004753873145
                   -1 :               0.00003459306639
                   +0 :              -0.00005667002751
                   +1 :              -0.00002714170350
                   +2 :              -0.00001165848836
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00013807786521
                2s
                   +0 :               0.00107568637363
                3s
                   +0 :              -0.00054492320101
                2p
                   -1 :               0.00158702645835
                   +0 :               0.00016071436460
                   +1 :              -0.00153896874277
                3p
                   -1 :              -0.00133117435450
                   +0 :              -0.00019289985295
                   +1 :              -0.00120467455395
                3d
                   -2 :              -0.00045057874486
                   -1 :               0.00012938033628
                   +0 :               0.00015217908345
                   +1 :               0.00004267264444
                   +2 :               0.00013261196329
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00029695286631
                2s
                   +0 :               0.00142336822835
                3s
                   +0 :              -0.00081654835019
                2p
                   -1 :              -0.00209149202104
                   +0 :              -0.00121994457255
                   +1 :              -0.00042483443202
                3p
                   -1 :               0.00110731381219
                   +0 :               0.00116530490166
                   +1 :               0.00019795245520
                3d
                   -2 :               0.00017687371042
                   -1 :              -0.00000181794264
                   +0 :              -0.00003743758772
                   +1 :               0.00005117825569
                   +2 :              -0.00004581977132
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00001399548631
                2s
                   +0 :               0.00012955406303
                3s
                   +0 :               0.00026502048119
                2p
                   -1 :               0.00291291824577
                   +0 :              -0.00026432910692
                   +1 :              -0.00050195340048
                3p
                   -1 :              -0.00096343161500
                   +0 :               0.00015086942973
                   +1 :               0.00020238416959
                3d
                   -2 :               0.00008873628832
                   -1 :              -0.00007917565812
                   +0 :               0.00016745819365
                   +1 :               0.00001708601546
                   +2 :               0.00007142184014
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00006045531379
                2s
                   +0 :              -0.00083734051603
                3s
                   +0 :               0.00008250356032
                2p
                   -1 :               0.00019453345435
                   +0 :              -0.00003083644092
                   +1 :               0.00106063368610
                3p
                   -1 :              -0.00006954058225
                   +0 :               0.00000004994340
                   +1 :              -0.00021562332083
                3d
                   -2 :               0.00000706489725
                   -1 :              -0.00000349830344
                   +0 :               0.00001242267824
                   +1 :              -0.00000089818835
                   +2 :              -0.00003226035956
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000355595501
                2s
                   +0 :              -0.00016481509732
                3s
                   +0 :              -0.00004270609058
                2p
                   -1 :               0.00027851053097
                   +0 :               0.00000215211917
                   +1 :               0.00000883690209
                3p
                   -1 :               0.00005346641403
                   +0 :               0.00001442097910
                   +1 :               0.00011607754895
                3d
                   -2 :              -0.00002328852471
                   -1 :               0.00000714729012
                   +0 :               0.00001721721939
                   +1 :               0.00000760874715
                   +2 :               0.00000931594065
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001221120318
                2s
                   +0 :              -0.00040011020762
                3s
                   +0 :              -0.00000125105658
                2p
                   -1 :              -0.00061868344224
                   +0 :               0.00014073358715
                   +1 :               0.00034349099081
                3p
                   -1 :               0.00024424977003
                   +0 :              -0.00011099505651
                   +1 :              -0.00017575729510
                3d
                   -2 :              -0.00000109598458
                   -1 :              -0.00000215873830
                   +0 :              -0.00000794006888
                   +1 :               0.00000811769047
                   +2 :              -0.00001658718702
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001684905335
                2s
                   +0 :               0.00024626379504
                3s
                   +0 :              -0.00000173618595
                2p
                   -1 :              -0.00033323534245
                   +0 :              -0.00013019165736
                   +1 :               0.00003986654877
                3p
                   -1 :              -0.00001321971233
                   +0 :               0.00005554181818
                   +1 :               0.00009581370995
                3d
                   -2 :              -0.00002599318758
                   -1 :              -0.00000332120886
                   +0 :              -0.00001946285658
                   +1 :              -0.00001349695750
                   +2 :              -0.00000897547973
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003543870047
                2s
                   +0 :               0.00001347152682
                3s
                   +0 :               0.00017064828727
                2p
                   -1 :               0.00030618596612
                   +0 :               0.00008643525119
                   +1 :               0.00010443188401
                3p
                   -1 :              -0.00003857149412
                   +0 :              -0.00013340992096
                   +1 :               0.00001838844152
                3d
                   -2 :               0.00001250999073
                   -1 :              -0.00000795207009
                   +0 :               0.00002339015753
                   +1 :              -0.00002815370937
                   +2 :               0.00001576092541
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003717641058
                2s
                   +0 :               0.00071295241131
                3s
                   +0 :              -0.00001709151402
                2p
                   -1 :              -0.00013842463194
                   +0 :              -0.00026569518413
                   +1 :               0.00084627182523
                3p
                   -1 :               0.00000869673000
                   +0 :               0.00019043222931
                   +1 :              -0.00002509513035
                3d
                   -2 :              -0.00000030463075
                   -1 :              -0.00000554842083
                   +0 :              -0.00000750104669
                   +1 :               0.00001087878110
                   +2 :               0.00003090901296
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001840107532
                2s
                   +0 :              -0.00016152703484
                3s
                   +0 :               0.00003914858060
                2p
                   -1 :               0.00016012300343
                   +0 :               0.00004899359577
                   +1 :               0.00009511604733
                3p
                   -1 :              -0.00006768634982
                   +0 :              -0.00004614979000
                   +1 :              -0.00001132124441
                3d
                   -2 :               0.00000133998114
                   -1 :               0.00000118701574
                   +0 :               0.00000254994813
                   +1 :               0.00000740930830
                   +2 :              -0.00000128145684
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000006565583
                2s
                   +0 :              -0.00004782584539
                3s
                   +0 :              -0.00001732639668
                2p
                   -1 :              -0.00000508724660
                   +0 :              -0.00006030999405
                   +1 :               0.00008962594793
                3p
                   -1 :              -0.00004079245897
                   +0 :               0.00005176439182
                   +1 :              -0.00001233354173
                3d
                   -2 :               0.00000107849456
                   -1 :              -0.00000171262444
                   +0 :               0.00000267758771
                   +1 :              -0.00000665090209
                   +2 :               0.00000266920888
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000412231883
                2s
                   +0 :              -0.00003669815234
                3s
                   +0 :               0.00000681554074
                2p
                   -1 :              -0.00000372127750
                   +0 :              -0.00001691806425
                   +1 :              -0.00005449190538
                3p
                   -1 :               0.00001050916103
                   +0 :               0.00000838161876
                   +1 :               0.00005450423197
                3d
                   -2 :              -0.00000716616955
                   -1 :              -0.00000105060989
                   +0 :               0.00000097193131
                   +1 :               0.00000067958570
                   +2 :              -0.00000037430225
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000476468518
                2s
                   +0 :               0.00002483579355
                3s
                   +0 :              -0.00000630073668
                2p
                   -1 :              -0.00002969000931
                   +0 :               0.00003257180416
                   +1 :               0.00001884695808
                3p
                   -1 :               0.00003638931906
                   +0 :              -0.00001483355581
                   +1 :              -0.00001656840643
                3d
                   -2 :               0.00000020330272
                   -1 :              -0.00000504945930
                   +0 :              -0.00000540113585
                   +1 :              -0.00000114974693
                   +2 :              -0.00000240633839
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001801791683
                2s
                   +0 :               0.00016741998921
                3s
                   +0 :              -0.00004671800011
                2p
                   -1 :              -0.00015870581745
                   +0 :               0.00000580336541
                   +1 :               0.00010203388499
                3p
                   -1 :               0.00004430800483
                   +0 :              -0.00001434519465
                   +1 :              -0.00002594382740
                3d
                   -2 :              -0.00000315663294
                   -1 :               0.00000042602169
                   +0 :              -0.00000255889059
                   +1 :              -0.00000404917095
                   +2 :              -0.00000012104644
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000258531835
                2s
                   +0 :               0.00003632931497
                3s
                   +0 :               0.00002600303297
                2p
                   -1 :              -0.00001953003984
                   +0 :              -0.00000228659931
                   +1 :               0.00006277295888
                3p
                   -1 :               0.00005788720262
                   +0 :              -0.00000187127075
                   +1 :               0.00001852175350
                3d
                   -2 :               0.00000364451737
                   -1 :              -0.00000398042251
                   +0 :               0.00000019218798
                   +1 :              -0.00000129277819
                   +2 :               0.00000282901395
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 16)  npairs=  14
              1 vec=    -2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00004522094060
                2s
                   +0 :              -0.00052178227813
                3s
                   +0 :               0.00016028717130
                2p
                   -1 :              -0.00029326426904
                   +0 :               0.00024776646831
                   +1 :              -0.00023609060508
                3p
                   -1 :               0.00015406282832
                   +0 :              -0.00020378139349
                   +1 :               0.00017317153148
                3d
                   -2 :               0.00001171109000
                   -1 :              -0.00000719177036
                   +0 :               0.00002221500791
                   +1 :              -0.00001781083067
                   +2 :              -0.00002368297915
              2 vec=    -2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003241729158
                2s
                   +0 :               0.00037211183072
                3s
                   +0 :              -0.00015400139277
                2p
                   -1 :               0.00003623022704
                   +0 :               0.00018226652976
                   +1 :              -0.00017930811147
                3p
                   -1 :              -0.00009401210909
                   +0 :              -0.00005684467071
                   +1 :               0.00004405912371
                3d
                   -2 :               0.00001590011781
                   -1 :               0.00000897871947
                   +0 :               0.00001748641447
                   +1 :              -0.00000995221105
                   +2 :               0.00001499793462
              3 vec=     5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002277043007
                2s
                   +0 :               0.00010456868625
                3s
                   +0 :               0.00021565561171
                2p
                   -1 :               0.00027277670365
                   +0 :               0.00006985182705
                   +1 :              -0.00034806074477
                3p
                   -1 :              -0.00004831663673
                   +0 :              -0.00032651982753
                   +1 :               0.00023575294080
                3d
                   -2 :               0.00000056941518
                   -1 :              -0.00003034352784
                   +0 :               0.00003553929664
                   +1 :              -0.00002495541291
                   +2 :               0.00000495138827
              4 vec=     5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000192487354
                2s
                   +0 :               0.00024767406544
                3s
                   +0 :               0.00003311388913
                2p
                   -1 :               0.00049325219579
                   +0 :               0.00029840274915
                   +1 :              -0.00004371461447
                3p
                   -1 :              -0.00016409456302
                   +0 :              -0.00003552882161
                   +1 :              -0.00004049273490
                3d
                   -2 :               0.00001746917091
                   -1 :               0.00001383150210
                   +0 :               0.00002171158798
                   +1 :              -0.00000198068654
                   +2 :              -0.00002474502381
              5 vec=    -2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001320482029
                2s
                   +0 :              -0.00008047109814
                3s
                   +0 :               0.00002621696943
                2p
                   -1 :              -0.00035748353050
                   +0 :               0.00032326559698
                   +1 :              -0.00021532680478
                3p
                   -1 :               0.00029922604320
                   +0 :              -0.00031454928407
                   +1 :               0.00017667036507
                3d
                   -2 :              -0.00001364176296
                   -1 :              -0.00002345643341
                   +0 :               0.00002584713458
                   +1 :              -0.00001698127168
                   +2 :              -0.00002600756770
              6 vec=    -2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001608296427
                2s
                   +0 :              -0.00003653973279
                3s
                   +0 :               0.00006774140549
                2p
                   -1 :               0.00008604596312
                   +0 :              -0.00013520876435
                   +1 :               0.00021049814993
                3p
                   -1 :              -0.00003216094943
                   +0 :               0.00022654138922
                   +1 :              -0.00020793459875
                3d
                   -2 :              -0.00000271114423
                   -1 :               0.00001551948503
                   +0 :               0.00003739513576
                   +1 :              -0.00001847531026
                   +2 :              -0.00000829376986
              7 vec=     5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00005056951611
                2s
                   +0 :               0.00041988351340
                3s
                   +0 :              -0.00015118276190
                2p
                   -1 :               0.00010814506419
                   +0 :              -0.00040105066934
                   +1 :               0.00025055081098
                3p
                   -1 :              -0.00011200567221
                   +0 :               0.00020359878536
                   +1 :              -0.00017536755802
                3d
                   -2 :               0.00000106234744
                   -1 :               0.00000461940830
                   +0 :              -0.00001258017049
                   +1 :               0.00000488300201
                   +2 :               0.00000178168641
              8 vec=     5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00010121625099
                2s
                   +0 :               0.00088648989900
                3s
                   +0 :              -0.00022654167603
                2p
                   -1 :              -0.00032212951629
                   +0 :               0.00060565957725
                   +1 :               0.00021589125092
                3p
                   -1 :               0.00017824690334
                   +0 :              -0.00018651895656
                   +1 :              -0.00007064525615
                3d
                   -2 :               0.00001328295659
                   -1 :               0.00000897991788
                   +0 :               0.00000695860421
                   +1 :               0.00002209799673
                   +2 :               0.00000106272569
              9 vec=   -10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002703069831
                2s
                   +0 :              -0.00013983075520
                3s
                   +0 :               0.00009017138747
                2p
                   -1 :              -0.00013521231689
                   +0 :               0.00021311766804
                   +1 :               0.00023286859424
                3p
                   -1 :               0.00012702250734
                   +0 :              -0.00011453271483
                   +1 :              -0.00013990838570
                3d
                   -2 :               0.00000269543794
                   -1 :              -0.00000756379326
                   +0 :               0.00000521064548
                   +1 :               0.00001832094610
                   +2 :               0.00001608621796
             10 vec=   -10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000023335291
                2s
                   +0 :              -0.00001967596820
                3s
                   +0 :              -0.00000611408026
                2p
                   -1 :              -0.00024455873691
                   +0 :               0.00016133832885
                   +1 :              -0.00008507614005
                3p
                   -1 :               0.00022132635203
                   +0 :              -0.00020209067075
                   +1 :               0.00009385378922
                3d
                   -2 :              -0.00001289375155
                   -1 :               0.00002456744567
                   +0 :              -0.00001058377010
                   +1 :               0.00000781289162
                   +2 :              -0.00001372952643
             11 vec=    -2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00005520108935
                2s
                   +0 :              -0.00053282328964
                3s
                   +0 :               0.00006812279939
                2p
                   -1 :               0.00021941325847
                   +0 :               0.00029716029350
                   +1 :               0.00004532847697
                3p
                   -1 :              -0.00008347172763
                   +0 :              -0.00002879534066
                   +1 :               0.00005714052953
                3d
                   -2 :              -0.00000845611193
                   -1 :              -0.00001441253854
                   +0 :              -0.00001574346829
                   +1 :              -0.00002275467395
                   +2 :              -0.00000339363684
             12 vec=    -2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000630418045
                2s
                   +0 :              -0.00004004773164
                3s
                   +0 :               0.00003646197491
                2p
                   -1 :               0.00013093447487
                   +0 :              -0.00005410027590
                   +1 :              -0.00013141853195
                3p
                   -1 :              -0.00009645633373
                   +0 :               0.00003984739113
                   +1 :               0.00012958789466
                3d
                   -2 :              -0.00000641583301
                   -1 :              -0.00000755348837
                   +0 :              -0.00000008508657
                   +1 :               0.00000769265247
                   +2 :              -0.00000343167032
             13 vec=   -10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000664282626
                2s
                   +0 :              -0.00010390034367
                3s
                   +0 :              -0.00000044243469
                2p
                   -1 :               0.00006435955232
                   +0 :               0.00007140956180
                   +1 :               0.00004988896593
                3p
                   -1 :              -0.00003917444636
                   +0 :              -0.00001106117281
                   +1 :               0.00002500704601
                3d
                   -2 :               0.00000531445854
                   -1 :               0.00000159135344
                   +0 :               0.00000080198854
                   +1 :               0.00000233633598
                   +2 :               0.00000147176508
             14 vec=   -10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001911544177
                2s
                   +0 :              -0.00019639799419
                3s
                   +0 :               0.00005747779195
                2p
                   -1 :               0.00008461526236
                   +0 :              -0.00018143795404
                   +1 :               0.00019279116026
                3p
                   -1 :              -0.00002760988872
                   +0 :               0.00006200141171
                   +1 :              -0.00009932644045
                3d
                   -2 :              -0.00000464051312
                   -1 :               0.00000146932901
                   +0 :               0.00000147587031
                   +1 :              -0.00000301106671
                   +2 :               0.00000054250144
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 17)  npairs=  14
              1 vec=     2.383842     -1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003059711786
                2s
                   +0 :              -0.00036486748042
                3s
                   +0 :               0.00016491112486
                2p
                   -1 :              -0.00013902973831
                   +0 :               0.00026651231108
                   +1 :              -0.00025016548548
                3p
                   -1 :               0.00010665744153
                   +0 :              -0.00011022152770
                   +1 :               0.00010001583067
                3d
                   -2 :               0.00001028789269
                   -1 :               0.00001291046993
                   +0 :              -0.00000387860366
                   +1 :               0.00000738215074
                   +2 :              -0.00002085733582
              2 vec=     2.383842     -1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005241128964
                2s
                   +0 :               0.00062182959889
                3s
                   +0 :              -0.00016403819742
                2p
                   -1 :               0.00026282210172
                   +0 :               0.00028026597313
                   +1 :              -0.00015178651682
                3p
                   -1 :              -0.00016372795034
                   +0 :              -0.00016604462375
                   +1 :               0.00003758392302
                3d
                   -2 :               0.00000895323739
                   -1 :              -0.00000220297189
                   +0 :              -0.00001279372493
                   +1 :              -0.00000529824604
                   +2 :               0.00001923725860
              3 vec=    -5.396321      3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001139111729
                2s
                   +0 :              -0.00009168260626
                3s
                   +0 :              -0.00005064860144
                2p
                   -1 :              -0.00034070230046
                   +0 :               0.00016288880860
                   +1 :               0.00010633259087
                3p
                   -1 :               0.00015417209436
                   +0 :               0.00000489244692
                   +1 :              -0.00012696343906
                3d
                   -2 :               0.00002354451409
                   -1 :               0.00000309945244
                   +0 :              -0.00002035972172
                   +1 :               0.00000340729867
                   +2 :               0.00002189281565
              4 vec=    -5.396321      3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001060860281
                2s
                   +0 :              -0.00030915975884
                3s
                   +0 :              -0.00020551521424
                2p
                   -1 :              -0.00040619761028
                   +0 :              -0.00015919871898
                   +1 :              -0.00034745436474
                3p
                   -1 :               0.00007319106336
                   +0 :              -0.00032576091042
                   +1 :               0.00023929290791
                3d
                   -2 :               0.00000490390940
                   -1 :              -0.00003988539820
                   +0 :              -0.00005689314191
                   +1 :               0.00002412652586
                   +2 :               0.00000083474274
              5 vec=    -5.396321     -5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00009877595931
                2s
                   +0 :              -0.00088807325519
                3s
                   +0 :               0.00022110113886
                2p
                   -1 :               0.00034241049860
                   +0 :               0.00074751186967
                   +1 :               0.00034714806149
                3p
                   -1 :              -0.00025315080283
                   +0 :              -0.00032952189132
                   +1 :              -0.00016479605383
                3d
                   -2 :               0.00001743986820
                   -1 :               0.00002032966106
                   +0 :              -0.00000104298090
                   +1 :              -0.00001983164290
                   +2 :               0.00000486728772
              6 vec=    -5.396321     -5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00003559425410
                2s
                   +0 :              -0.00034776797487
                3s
                   +0 :               0.00010417155392
                2p
                   -1 :              -0.00012948133921
                   +0 :              -0.00017965112321
                   +1 :               0.00015698325217
                3p
                   -1 :               0.00007397731035
                   +0 :               0.00003758983729
                   +1 :              -0.00001579420443
                3d
                   -2 :              -0.00001112288809
                   -1 :              -0.00000908669130
                   +0 :               0.00000798166846
                   +1 :               0.00001490605279
                   +2 :              -0.00000711776248
              7 vec=     2.383842      7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004134008678
                2s
                   +0 :               0.00021434515706
                3s
                   +0 :              -0.00014089792223
                2p
                   -1 :              -0.00007759894589
                   +0 :              -0.00023613002237
                   +1 :               0.00027944153402
                3p
                   -1 :               0.00003515505642
                   +0 :               0.00028176036508
                   +1 :              -0.00026561393506
                3d
                   -2 :              -0.00000374118281
                   -1 :               0.00001063654478
                   +0 :              -0.00003423065999
                   +1 :               0.00002179570744
                   +2 :               0.00000510709763
              8 vec=     2.383842      7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00000440845748
                2s
                   +0 :              -0.00000271762636
                3s
                   +0 :              -0.00001570213245
                2p
                   -1 :               0.00025476461140
                   +0 :               0.00025188899836
                   +1 :              -0.00005071201208
                3p
                   -1 :              -0.00022083185297
                   +0 :              -0.00030049478626
                   +1 :               0.00003132187744
                3d
                   -2 :              -0.00001970075030
                   -1 :              -0.00002568049554
                   +0 :              -0.00002179176749
                   +1 :               0.00000869516240
                   +2 :               0.00002230098842
              9 vec=     2.383842    -10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00004199694904
                2s
                   +0 :              -0.00042075208477
                3s
                   +0 :               0.00005798029543
                2p
                   -1 :               0.00002203683160
                   +0 :               0.00018108670070
                   +1 :              -0.00027169997178
                3p
                   -1 :               0.00000674666447
                   +0 :              -0.00006872426814
                   +1 :               0.00014449182754
                3d
                   -2 :              -0.00000015004252
                   -1 :              -0.00001217665699
                   +0 :               0.00000681637114
                   +1 :              -0.00000015985787
                   +2 :              -0.00000472833123
             10 vec=     2.383842    -10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002018881754
                2s
                   +0 :               0.00012797297203
                3s
                   +0 :              -0.00004801306119
                2p
                   -1 :              -0.00010488394105
                   +0 :               0.00003921917030
                   +1 :              -0.00001138010887
                3p
                   -1 :               0.00006444296129
                   +0 :              -0.00001083712214
                   +1 :              -0.00000932891368
                3d
                   -2 :               0.00000029662017
                   -1 :              -0.00000118358967
                   +0 :               0.00000508180575
                   +1 :              -0.00000001791525
                   +2 :               0.00000009282010
             11 vec=    10.164004      3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000740780618
                2s
                   +0 :               0.00000025923719
                3s
                   +0 :               0.00004315566441
                2p
                   -1 :               0.00020450474812
                   +0 :               0.00016432724785
                   +1 :              -0.00006054027332
                3p
                   -1 :              -0.00018409733688
                   +0 :              -0.00022071255858
                   +1 :               0.00010126951098
                3d
                   -2 :              -0.00001244342660
                   -1 :               0.00001997798017
                   +0 :               0.00001159308307
                   +1 :              -0.00001206199927
                   +2 :               0.00001131580314
             12 vec=    10.164004      3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00003895166669
                2s
                   +0 :               0.00026282732890
                3s
                   +0 :              -0.00011588545390
                2p
                   -1 :               0.00017718101916
                   +0 :               0.00028753321483
                   +1 :               0.00014477424523
                3p
                   -1 :              -0.00015067080820
                   +0 :              -0.00015786562062
                   +1 :              -0.00009704075678
                3d
                   -2 :              -0.00000109034680
                   -1 :              -0.00000931138577
                   +0 :              -0.00000812005749
                   +1 :              -0.00001657907626
                   +2 :              -0.00001140480076
             13 vec=    10.164004     -5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001913263413
                2s
                   +0 :               0.00021285996945
                3s
                   +0 :              -0.00004785935404
                2p
                   -1 :              -0.00018580142474
                   +0 :              -0.00021725039149
                   +1 :               0.00016043812732
                3p
                   -1 :               0.00009547969062
                   +0 :               0.00010208497108
                   +1 :              -0.00009482985510
                3d
                   -2 :               0.00000006546726
                   -1 :               0.00000079084063
                   +0 :               0.00000154297834
                   +1 :               0.00000268594109
                   +2 :              -0.00000156243323
             14 vec=    10.164004     -5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000906562631
                2s
                   +0 :               0.00012587889259
                3s
                   +0 :              -0.00000613045297
                2p
                   -1 :              -0.00006954544841
                   +0 :               0.00005300609900
                   +1 :               0.00009297795359
                3p
                   -1 :               0.00001710596933
                   +0 :               0.00000651406237
                   +1 :              -0.00000648699783
                3d
                   -2 :               0.00000206038249
                   -1 :               0.00000169351999
                   +0 :               0.00000038485670
                   +1 :              -0.00000127097152
                   +2 :              -0.00000215220754
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 18)  npairs=  18
              1 vec=     0.000000      3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00010941976836
                2s
                   +0 :              -0.00081889583834
                3s
                   +0 :               0.00043033429970
                2p
                   -1 :               0.00002023160478
                   +0 :               0.00072769133807
                   +1 :               0.00037223186152
                3p
                   -1 :              -0.00005233701024
                   +0 :              -0.00062375123634
                   +1 :              -0.00029370895212
                3d
                   -2 :              -0.00000755627516
                   -1 :              -0.00000808264288
                   +0 :               0.00006889145819
                   +1 :               0.00002182451977
                   +2 :               0.00002166613368
              2 vec=     0.000000      3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00011349018597
                2s
                   +0 :               0.00085681780524
                3s
                   +0 :              -0.00044774177811
                2p
                   -1 :              -0.00006885792825
                   +0 :               0.00066933382118
                   +1 :               0.00032263313753
                3p
                   -1 :               0.00011028873795
                   +0 :              -0.00058261660648
                   +1 :              -0.00019092850928
                3d
                   -2 :              -0.00001339660587
                   -1 :               0.00000312182878
                   +0 :              -0.00005776543345
                   +1 :              -0.00000110974289
                   +2 :              -0.00001828949006
              3 vec=     0.000000     -5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00005056742746
                2s
                   +0 :              -0.00036263840118
                3s
                   +0 :               0.00009417076384
                2p
                   -1 :              -0.00010645364868
                   +0 :               0.00013559766546
                   +1 :              -0.00049043613429
                3p
                   -1 :               0.00003108428490
                   +0 :              -0.00005133914322
                   +1 :               0.00004311414877
                3d
                   -2 :               0.00002161016109
                   -1 :               0.00000563378640
                   +0 :               0.00000123379625
                   +1 :               0.00004276954992
                   +2 :              -0.00001678104624
              4 vec=     0.000000     -5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00004848116731
                2s
                   +0 :               0.00016619944788
                3s
                   +0 :              -0.00015470003113
                2p
                   -1 :              -0.00014834985426
                   +0 :               0.00012608902661
                   +1 :              -0.00047047080518
                3p
                   -1 :               0.00008177217217
                   +0 :              -0.00017913860243
                   +1 :              -0.00005846373906
                3d
                   -2 :               0.00001987134654
                   -1 :               0.00000299988781
                   +0 :              -0.00001829776626
                   +1 :              -0.00005619996280
                   +2 :               0.00001140656180
              5 vec=    -7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000259629642
                2s
                   +0 :              -0.00029442093775
                3s
                   +0 :              -0.00005217864110
                2p
                   -1 :               0.00007489985158
                   +0 :               0.00009558492150
                   +1 :              -0.00015069466744
                3p
                   -1 :              -0.00002490541434
                   +0 :               0.00018690771786
                   +1 :               0.00025320852905
                3d
                   -2 :              -0.00002121039911
                   -1 :              -0.00000534743496
                   +0 :              -0.00002935438030
                   +1 :              -0.00001221831855
                   +2 :              -0.00001386726494
              6 vec=    -7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004035634733
                2s
                   +0 :              -0.00038113801362
                3s
                   +0 :               0.00012098998752
                2p
                   -1 :               0.00037978352965
                   +0 :              -0.00032715841557
                   +1 :               0.00003209865526
                3p
                   -1 :              -0.00018969045329
                   +0 :               0.00013718648675
                   +1 :               0.00004745984875
                3d
                   -2 :              -0.00000989497410
                   -1 :               0.00000076074358
                   +0 :               0.00001935141173
                   +1 :               0.00000716579997
                   +2 :              -0.00000340759032
              7 vec=     7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005661516934
                2s
                   +0 :               0.00050533986072
                3s
                   +0 :              -0.00013452757955
                2p
                   -1 :              -0.00016387199893
                   +0 :              -0.00034476479598
                   +1 :              -0.00000042628157
                3p
                   -1 :               0.00006805801970
                   +0 :               0.00013123089091
                   +1 :               0.00006400221433
                3d
                   -2 :              -0.00000533357420
                   -1 :               0.00000296102940
                   +0 :              -0.00001404675048
                   +1 :              -0.00001449931555
                   +2 :               0.00000854470647
              8 vec=     7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004112714063
                2s
                   +0 :               0.00073434490143
                3s
                   +0 :              -0.00004173384793
                2p
                   -1 :              -0.00022668290180
                   +0 :               0.00035198840684
                   +1 :              -0.00004830549620
                3p
                   -1 :               0.00007532391554
                   +0 :               0.00012376221411
                   +1 :               0.00023049409885
                3d
                   -2 :              -0.00002911711481
                   -1 :              -0.00000689526356
                   +0 :               0.00003414116581
                   +1 :               0.00002757883688
                   +2 :               0.00001832240840
              9 vec=    -7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00005138408559
                2s
                   +0 :               0.00030169167068
                3s
                   +0 :              -0.00019709906193
                2p
                   -1 :               0.00017084139319
                   +0 :              -0.00035608992834
                   +1 :              -0.00023128765339
                3p
                   -1 :              -0.00019645952901
                   +0 :               0.00037430544704
                   +1 :               0.00022427527637
                3d
                   -2 :               0.00000682675771
                   -1 :               0.00001106745750
                   +0 :              -0.00002296255222
                   +1 :              -0.00001839657961
                   +2 :               0.00001140541749
             10 vec=    -7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000647480009
                2s
                   +0 :              -0.00000361527511
                3s
                   +0 :              -0.00003069717550
                2p
                   -1 :               0.00010941673285
                   +0 :               0.00004272504095
                   +1 :               0.00001309866515
                3p
                   -1 :              -0.00011386247603
                   +0 :              -0.00005782563200
                   +1 :               0.00000608365396
                3d
                   -2 :               0.00000211091868
                   -1 :              -0.00000856144086
                   +0 :              -0.00000145392455
                   +1 :              -0.00000975910706
                   +2 :               0.00000603199699
             11 vec=     7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000133376406
                2s
                   +0 :               0.00005841053743
                3s
                   +0 :               0.00001904267673
                2p
                   -1 :              -0.00012069800394
                   +0 :               0.00005059791877
                   +1 :               0.00004206978686
                3p
                   -1 :               0.00013389141748
                   +0 :              -0.00007391660284
                   +1 :              -0.00001727084023
                3d
                   -2 :               0.00000432948767
                   -1 :              -0.00001272822794
                   +0 :               0.00000179146138
                   +1 :               0.00001420529803
                   +2 :              -0.00000802059339
             12 vec=     7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002395493814
                2s
                   +0 :              -0.00011812851712
                3s
                   +0 :               0.00011816228165
                2p
                   -1 :              -0.00012540351519
                   +0 :              -0.00014546683785
                   +1 :              -0.00013589431024
                3p
                   -1 :               0.00014715134419
                   +0 :               0.00020552123347
                   +1 :               0.00013464981175
                3d
                   -2 :               0.00000722580160
                   -1 :               0.00000823244660
                   +0 :               0.00001362073130
                   +1 :               0.00001128217376
                   +2 :              -0.00000481722509
             13 vec=     0.000000     12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000919570942
                2s
                   +0 :               0.00007106321367
                3s
                   +0 :              -0.00002290468028
                2p
                   -1 :               0.00007338385417
                   +0 :               0.00000453127648
                   +1 :              -0.00004091456252
                3p
                   -1 :              -0.00005346385362
                   +0 :              -0.00002103249180
                   +1 :               0.00003071643660
                3d
                   -2 :              -0.00000202012476
                   -1 :               0.00000126741083
                   +0 :               0.00000143524445
                   +1 :              -0.00000527735772
                   +2 :               0.00000261850950
             14 vec=     0.000000     12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000688217399
                2s
                   +0 :              -0.00006463109361
                3s
                   +0 :               0.00001615175834
                2p
                   -1 :              -0.00002276043900
                   +0 :               0.00000014282925
                   +1 :              -0.00007102120316
                3p
                   -1 :               0.00000426186659
                   +0 :              -0.00002418586988
                   +1 :               0.00006289410841
                3d
                   -2 :               0.00000036270705
                   -1 :               0.00000165452563
                   +0 :              -0.00000284232201
                   +1 :               0.00000395312625
                   +2 :               0.00000096535352
             15 vec=    -7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000460716666
                2s
                   +0 :              -0.00003569828176
                3s
                   +0 :              -0.00004202034880
                2p
                   -1 :              -0.00000399663646
                   +0 :               0.00003548055389
                   +1 :               0.00014776677651
                3p
                   -1 :               0.00001438145157
                   +0 :              -0.00003014797280
                   +1 :              -0.00007623101699
                3d
                   -2 :               0.00000412963812
                   -1 :               0.00000137745120
                   +0 :              -0.00000414253702
                   +1 :               0.00000733255992
                   +2 :              -0.00000049035581
             16 vec=    -7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001227420792
                2s
                   +0 :               0.00008207577691
                3s
                   +0 :              -0.00003862199772
                2p
                   -1 :              -0.00003454135872
                   +0 :               0.00010030396827
                   +1 :              -0.00001903564313
                3p
                   -1 :               0.00003414700699
                   +0 :              -0.00006893751751
                   +1 :              -0.00001051666048
                3d
                   -2 :              -0.00000572889031
                   -1 :               0.00000711651568
                   +0 :              -0.00000617428281
                   +1 :               0.00000122679842
                   +2 :               0.00000042641986
             17 vec=     7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002242987497
                2s
                   +0 :              -0.00018295226894
                3s
                   +0 :               0.00005467441494
                2p
                   -1 :               0.00003996081576
                   +0 :               0.00010888255361
                   +1 :              -0.00006794909465
                3p
                   -1 :              -0.00004279598199
                   +0 :              -0.00004633202332
                   +1 :              -0.00001990310312
                3d
                   -2 :              -0.00000345760370
                   -1 :               0.00000453070107
                   +0 :               0.00000113830764
                   +1 :               0.00000433424031
                   +2 :              -0.00000530546748
             18 vec=     7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001153675647
                2s
                   +0 :              -0.00004728737541
                3s
                   +0 :               0.00004631232848
                2p
                   -1 :              -0.00004781561397
                   +0 :              -0.00002623649252
                   +1 :               0.00005983980168
                3p
                   -1 :               0.00001671880280
                   +0 :               0.00001700449271
                   +1 :              -0.00004361428384
                3d
                   -2 :               0.00000390690177
                   -1 :               0.00000091838853
                   +0 :               0.00000360994710
                   +1 :              -0.00000454751641
                   +2 :               0.00000069657761
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 19)  npairs=  14
              1 vec=    -0.209286      0.362794      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00034159287789
                2s
                   +0 :               0.00207985782527
                3s
                   +0 :              -0.00085612493138
                2p
                   -1 :              -0.00079281844699
                   +0 :               0.00048227985160
                   +1 :              -0.00106718103776
                3p
                   -1 :               0.00075446041644
                   +0 :               0.00013118753574
                   +1 :              -0.00048863628729
                3d
                   -2 :               0.00001671432390
                   -1 :               0.00002201933459
                   +0 :               0.00027462411616
                   +1 :              -0.00009659435340
                   +2 :              -0.00009485179651
              2 vec=    -0.209286     -8.620964      8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00002312667298
                2s
                   +0 :              -0.00001928613962
                3s
                   +0 :              -0.00001696481952
                2p
                   -1 :               0.00045492877949
                   +0 :              -0.00014489707325
                   +1 :              -0.00054834815718
                3p
                   -1 :              -0.00024625542377
                   +0 :               0.00015429803092
                   +1 :               0.00018709188407
                3d
                   -2 :               0.00005413320279
                   -1 :              -0.00000519096266
                   +0 :               0.00000301487935
                   +1 :              -0.00001922695931
                   +2 :              -0.00000537126160
              3 vec=     7.570876     -4.129085      8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00001592059534
                2s
                   +0 :               0.00071604045134
                3s
                   +0 :               0.00006179031866
                2p
                   -1 :               0.00044836048024
                   +0 :               0.00040720786354
                   +1 :               0.00023923519787
                3p
                   -1 :              -0.00058022099384
                   +0 :               0.00017110013520
                   +1 :              -0.00012269288203
                3d
                   -2 :              -0.00001036917563
                   -1 :              -0.00002177895597
                   +0 :               0.00001183868871
                   +1 :               0.00000383253017
                   +2 :              -0.00005657755293
              4 vec=    -7.989449     -4.129085      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00011241269890
                2s
                   +0 :              -0.00122247937480
                3s
                   +0 :               0.00036567611192
                2p
                   -1 :              -0.00010366862597
                   +0 :              -0.00052617256499
                   +1 :               0.00098580825598
                3p
                   -1 :               0.00042852995177
                   +0 :               0.00006022882918
                   +1 :              -0.00052936096056
                3d
                   -2 :               0.00000021922259
                   -1 :               0.00000391582950
                   +0 :              -0.00003797159360
                   +1 :              -0.00003353985755
                   +2 :               0.00008260645782
              5 vec=     7.570876      4.854673      8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00021345874233
                2s
                   +0 :              -0.00103786027941
                3s
                   +0 :               0.00070798476376
                2p
                   -1 :               0.00124661832649
                   +0 :              -0.00048383219538
                   +1 :              -0.00150077420834
                3p
                   -1 :              -0.00086606254572
                   +0 :               0.00045325785065
                   +1 :               0.00127244342239
                3d
                   -2 :              -0.00002220899099
                   -1 :              -0.00004968148485
                   +0 :               0.00005272853385
                   +1 :               0.00013529557944
                   +2 :               0.00005849621404
              6 vec=    -7.989449      4.854673      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00003454061157
                2s
                   +0 :              -0.00004144221520
                3s
                   +0 :              -0.00011899554095
                2p
                   -1 :              -0.00056360406561
                   +0 :              -0.00077330397151
                   +1 :               0.00105527662705
                3p
                   -1 :               0.00030590615414
                   +0 :               0.00060473614336
                   +1 :              -0.00083565376189
                3d
                   -2 :              -0.00000742601842
                   -1 :               0.00001384705999
                   +0 :               0.00001075387202
                   +1 :              -0.00005125274160
                   +2 :               0.00003660390014
              7 vec=    -0.209286      9.346552      8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00003469723394
                2s
                   +0 :              -0.00020684094901
                3s
                   +0 :               0.00004602904147
                2p
                   -1 :              -0.00050035621970
                   +0 :               0.00029167810408
                   +1 :              -0.00053545344850
                3p
                   -1 :               0.00032002566719
                   +0 :              -0.00036871650135
                   +1 :               0.00023946662876
                3d
                   -2 :               0.00002232121436
                   -1 :              -0.00002945118971
                   +0 :               0.00000187047243
                   +1 :              -0.00003958635972
                   +2 :              -0.00000453976352
              8 vec=    -0.209286      0.362794    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00002182166595
                2s
                   +0 :               0.00014281639482
                3s
                   +0 :              -0.00007451525143
                2p
                   -1 :              -0.00008730801355
                   +0 :              -0.00003533001023
                   +1 :               0.00007235745443
                3p
                   -1 :               0.00006183440130
                   +0 :               0.00003823353033
                   +1 :              -0.00007045006882
                3d
                   -2 :               0.00000531507582
                   -1 :              -0.00000773430755
                   +0 :              -0.00000096176978
                   +1 :               0.00000546366073
                   +2 :               0.00000348685619
              9 vec=     7.570876    -13.112843      8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00002255064836
                2s
                   +0 :               0.00018147242087
                3s
                   +0 :              -0.00006489764867
                2p
                   -1 :              -0.00009215310735
                   +0 :               0.00005593356276
                   +1 :               0.00001212783762
                3p
                   -1 :               0.00000715999508
                   +0 :              -0.00003414829809
                   +1 :              -0.00000060464269
                3d
                   -2 :              -0.00000380714827
                   -1 :              -0.00000317494856
                   +0 :              -0.00000080003092
                   +1 :              -0.00000028839407
                   +2 :              -0.00000635195339
             10 vec=    -7.989449    -13.112843      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00000084640126
                2s
                   +0 :              -0.00002569408627
                3s
                   +0 :              -0.00001172075851
                2p
                   -1 :               0.00001934388974
                   +0 :              -0.00006853234185
                   +1 :               0.00003906448549
                3p
                   -1 :               0.00002614641717
                   +0 :               0.00000217023057
                   +1 :              -0.00003979918357
                3d
                   -2 :              -0.00000448935799
                   -1 :               0.00000375268524
                   +0 :               0.00000044501569
                   +1 :              -0.00000128580023
                   +2 :               0.00000483760662
             11 vec=    15.351039      0.362794      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00003358431692
                2s
                   +0 :               0.00026694065075
                3s
                   +0 :              -0.00008696666990
                2p
                   -1 :              -0.00012807301480
                   +0 :               0.00003966101839
                   +1 :               0.00027887462031
                3p
                   -1 :               0.00013374679261
                   +0 :               0.00000597133872
                   +1 :              -0.00014682498031
                3d
                   -2 :               0.00001306178123
                   -1 :               0.00000955493258
                   +0 :              -0.00000348757729
                   +1 :               0.00001092082159
                   +2 :               0.00000361512788
             12 vec=   -15.769612      0.362794      8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00001784422996
                2s
                   +0 :              -0.00013566114165
                3s
                   +0 :               0.00002263601347
                2p
                   -1 :              -0.00001473333762
                   +0 :              -0.00007194330615
                   +1 :               0.00008234800063
                3p
                   -1 :              -0.00002703365581
                   +0 :               0.00001434439769
                   +1 :              -0.00002372686089
                3d
                   -2 :               0.00000326381704
                   -1 :              -0.00000444133778
                   +0 :               0.00000055212814
                   +1 :               0.00000175129634
                   +2 :              -0.00000201488240
             13 vec=     7.570876     13.838431      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00000010429933
                2s
                   +0 :              -0.00002358424495
                3s
                   +0 :               0.00001238741517
                2p
                   -1 :               0.00001051273008
                   +0 :              -0.00010208445620
                   +1 :              -0.00004890666263
                3p
                   -1 :              -0.00000106116701
                   +0 :               0.00008610901384
                   +1 :               0.00002548934917
                3d
                   -2 :               0.00000471677913
                   -1 :               0.00000356768692
                   +0 :               0.00000431046211
                   +1 :               0.00000284047139
                   +2 :               0.00000366742619
             14 vec=    -7.989449     13.838431      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00000945421804
                2s
                   +0 :              -0.00008878644206
                3s
                   +0 :               0.00002055251318
                2p
                   -1 :              -0.00004139490030
                   +0 :               0.00001335316463
                   +1 :               0.00001808749259
                3p
                   -1 :               0.00001403795206
                   +0 :              -0.00002166163341
                   +1 :               0.00000064631269
                3d
                   -2 :               0.00000093040392
                   -1 :               0.00000342564237
                   +0 :              -0.00000428653098
                   +1 :               0.00000091691469
                   +2 :              -0.00000209092740
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 20)  npairs=  15
              1 vec=     2.802674     -4.129085      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00018179890786
                2s
                   +0 :               0.00191881712404
                3s
                   +0 :              -0.00003388594053
                2p
                   -1 :              -0.00297832051411
                   +0 :               0.00203538259020
                   +1 :              -0.00109375581949
                3p
                   -1 :               0.00063103544935
                   +0 :               0.00052432920446
                   +1 :               0.00088146946525
                3d
                   -2 :              -0.00006373970602
                   -1 :              -0.00008026509004
                   +0 :               0.00002353971913
                   +1 :               0.00009316085288
                   +2 :              -0.00012468204271
              2 vec=    -4.977489      0.362794      8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00016686972008
                2s
                   +0 :              -0.00225638344779
                3s
                   +0 :               0.00011208398781
                2p
                   -1 :              -0.00339690649353
                   +0 :              -0.00272378280900
                   +1 :               0.00020840624224
                3p
                   -1 :               0.00110658084642
                   +0 :               0.00045794067782
                   +1 :               0.00047743792493
                3d
                   -2 :              -0.00007685545067
                   -1 :              -0.00010754121858
                   +0 :               0.00009387029958
                   +1 :               0.00008874239018
                   +2 :               0.00000924688398
              3 vec=     2.802674      4.854673      8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00009677241670
                2s
                   +0 :              -0.00122848744501
                3s
                   +0 :               0.00026559249802
                2p
                   -1 :              -0.00113523428398
                   +0 :              -0.00150277683226
                   +1 :               0.00093895608272
                3p
                   -1 :               0.00087860261546
                   +0 :               0.00098983826341
                   +1 :              -0.00103694651931
                3d
                   -2 :              -0.00000416239012
                   -1 :              -0.00000359008104
                   +0 :              -0.00012730265533
                   +1 :              -0.00003027892444
                   +2 :               0.00005136699794
              4 vec=    -4.977489     -8.620964      8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00004983557023
                2s
                   +0 :              -0.00042527156878
                3s
                   +0 :               0.00017976370138
                2p
                   -1 :               0.00029195625557
                   +0 :               0.00006835872570
                   +1 :               0.00078388566591
                3p
                   -1 :              -0.00022359909249
                   +0 :               0.00009107174502
                   +1 :              -0.00056589871147
                3d
                   -2 :              -0.00000321811683
                   -1 :              -0.00002308276178
                   +0 :               0.00002140388771
                   +1 :              -0.00003892451654
                   +2 :               0.00000911979539
              5 vec=    10.582837      0.362794      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00002071131874
                2s
                   +0 :               0.00051406293970
                3s
                   +0 :              -0.00001646242004
                2p
                   -1 :              -0.00005185707901
                   +0 :              -0.00026700503309
                   +1 :               0.00002853685568
                3p
                   -1 :               0.00014248461743
                   +0 :               0.00030372178124
                   +1 :               0.00026641636526
                3d
                   -2 :               0.00003659399738
                   -1 :              -0.00001358367596
                   +0 :              -0.00001382816256
                   +1 :              -0.00000129446495
                   +2 :               0.00000790064911
              6 vec=    -4.977489      9.346552      8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00003310459977
                2s
                   +0 :              -0.00043795536846
                3s
                   +0 :               0.00013736833578
                2p
                   -1 :               0.00003930581632
                   +0 :              -0.00024932679241
                   +1 :               0.00012403482577
                3p
                   -1 :              -0.00007149201430
                   +0 :               0.00000734628669
                   +1 :              -0.00008363778063
                3d
                   -2 :              -0.00000148807863
                   -1 :               0.00001402760919
                   +0 :              -0.00000880992861
                   +1 :              -0.00001620399353
                   +2 :              -0.00004613162825
              7 vec=     2.802674    -13.112843      8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00001628265537
                2s
                   +0 :               0.00010048018280
                3s
                   +0 :              -0.00005548842830
                2p
                   -1 :              -0.00013595647010
                   +0 :               0.00010081977212
                   +1 :              -0.00021161881115
                3p
                   -1 :               0.00010409595183
                   +0 :              -0.00005428921463
                   +1 :               0.00012992136335
                3d
                   -2 :               0.00000110677032
                   -1 :               0.00000307076699
                   +0 :              -0.00001012237531
                   +1 :               0.00000845334298
                   +2 :              -0.00000033873905
              8 vec=   -12.757651     -4.129085      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00000043122333
                2s
                   +0 :              -0.00005572328928
                3s
                   +0 :              -0.00003116613522
                2p
                   -1 :               0.00000451668471
                   +0 :              -0.00018086078587
                   +1 :               0.00017048568219
                3p
                   -1 :               0.00002927486243
                   +0 :               0.00009374890330
                   +1 :              -0.00010244870031
                3d
                   -2 :               0.00000021658795
                   -1 :               0.00001247654225
                   +0 :               0.00000709128084
                   +1 :              -0.00000840955504
                   +2 :               0.00000136952607
              9 vec=    10.582837     -8.620964      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00002051543324
                2s
                   +0 :              -0.00010997127893
                3s
                   +0 :               0.00008287030778
                2p
                   -1 :               0.00005765531036
                   +0 :              -0.00001779779011
                   +1 :               0.00008155824009
                3p
                   -1 :              -0.00005141407701
                   +0 :               0.00001381936338
                   +1 :              -0.00004941421941
                3d
                   -2 :               0.00001317602421
                   -1 :              -0.00001190230615
                   +0 :               0.00000776655918
                   +1 :              -0.00000891410513
                   +2 :              -0.00000352969788
             10 vec=   -12.757651      4.854673      8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00006713431816
                2s
                   +0 :               0.00038966068859
                3s
                   +0 :              -0.00024816229268
                2p
                   -1 :               0.00004531910237
                   +0 :               0.00001665594850
                   +1 :              -0.00023992922528
                3p
                   -1 :              -0.00002727094699
                   +0 :              -0.00006624335185
                   +1 :               0.00023923817943
                3d
                   -2 :              -0.00000729701089
                   -1 :              -0.00000888134698
                   +0 :              -0.00000703364858
                   +1 :              -0.00000350955522
                   +2 :              -0.00001700803668
             11 vec=    10.582837      9.346552      8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00003760278583
                2s
                   +0 :              -0.00015909779689
                3s
                   +0 :               0.00013622631513
                2p
                   -1 :              -0.00010840370359
                   +0 :              -0.00007265022871
                   +1 :               0.00017108228300
                3p
                   -1 :               0.00014397102579
                   +0 :               0.00008989684977
                   +1 :              -0.00010422387777
                3d
                   -2 :               0.00000002685714
                   -1 :               0.00000997131572
                   +0 :               0.00000228578902
                   +1 :               0.00000126199414
                   +2 :              -0.00000162970135
             12 vec=     2.802674     13.838431      8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00002079641986
                2s
                   +0 :               0.00012475557170
                3s
                   +0 :              -0.00006103222393
                2p
                   -1 :               0.00017716920416
                   +0 :               0.00000504589316
                   +1 :               0.00009232441801
                3p
                   -1 :              -0.00013926929260
                   +0 :               0.00003364367145
                   +1 :              -0.00010938824106
                3d
                   -2 :              -0.00000835772406
                   -1 :              -0.00000159236978
                   +0 :               0.00001927836250
                   +1 :              -0.00000678450555
                   +2 :               0.00000752716098
             13 vec=     2.802674     -4.129085    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00001389953681
                2s
                   +0 :              -0.00013462797406
                3s
                   +0 :               0.00003382791509
                2p
                   -1 :              -0.00000507447421
                   +0 :               0.00010766879911
                   +1 :              -0.00002316426725
                3p
                   -1 :              -0.00000259691833
                   +0 :              -0.00003563993403
                   +1 :              -0.00001122842004
                3d
                   -2 :              -0.00000431777880
                   -1 :               0.00000066167347
                   +0 :               0.00000003325483
                   +1 :               0.00000279436050
                   +2 :               0.00000175617829
             14 vec=    -4.977489      0.362794    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00001042270301
                2s
                   +0 :              -0.00005905215124
                3s
                   +0 :               0.00004207801217
                2p
                   -1 :              -0.00001815139637
                   +0 :               0.00004039942038
                   +1 :              -0.00000221785745
                3p
                   -1 :               0.00001772318286
                   +0 :              -0.00001779934567
                   +1 :              -0.00000421025588
                3d
                   -2 :              -0.00000086289051
                   -1 :               0.00000023707062
                   +0 :               0.00000632307413
                   +1 :               0.00000380576792
                   +2 :               0.00000141841922
             15 vec=     2.802674      4.854673    -16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00001028327081
                2s
                   +0 :               0.00009657328660
                3s
                   +0 :              -0.00001799734547
                2p
                   -1 :               0.00006739457041
                   +0 :               0.00001609427042
                   +1 :              -0.00009461162172
                3p
                   -1 :              -0.00003670647535
                   +0 :              -0.00007173627768
                   +1 :               0.00003896560833
                3d
                   -2 :              -0.00000206701946
                   -1 :              -0.00000037097554
                   +0 :               0.00000558892208
                   +1 :               0.00000218133283
                   +2 :              -0.00000381260998
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 21)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00035290971651
                2s
                   +0 :              -0.00326650254015
                3s
                   +0 :               0.00064478915206
                2p
                   -1 :               0.00317107983131
                   +0 :              -0.00273578223368
                   +1 :              -0.00256901262502
                3p
                   -1 :              -0.00101388580231
                   +0 :               0.00084516638572
                   +1 :               0.00147155724526
                3d
                   -2 :               0.00009284396081
                   -1 :               0.00003920597324
                   +0 :              -0.00004733498212
                   +1 :               0.00006800942371
                   +2 :               0.00000376351057
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00005597654087
                2s
                   +0 :               0.00111799013841
                3s
                   +0 :               0.00031601629607
                2p
                   -1 :               0.00119779945459
                   +0 :               0.00311147782783
                   +1 :               0.00192815961281
                3p
                   -1 :              -0.00007298825816
                   +0 :              -0.00054620857803
                   +1 :              -0.00028538434543
                3d
                   -2 :              -0.00000420517636
                   -1 :               0.00011864847815
                   +0 :               0.00001943837410
                   +1 :               0.00012283166247
                   +2 :               0.00004331139524
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00019817727079
                2s
                   +0 :               0.00134256267170
                3s
                   +0 :              -0.00056900696724
                2p
                   -1 :               0.00354747041620
                   +0 :               0.00060349397871
                   +1 :              -0.00143900967436
                3p
                   -1 :              -0.00245941086163
                   +0 :               0.00039846433073
                   +1 :               0.00069017651395
                3d
                   -2 :               0.00003776022277
                   -1 :              -0.00010064880776
                   +0 :               0.00010875896178
                   +1 :               0.00001143000622
                   +2 :               0.00016640510361
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00005865108847
                2s
                   +0 :               0.00057934496067
                3s
                   +0 :              -0.00007898317055
                2p
                   -1 :              -0.00025120272488
                   +0 :              -0.00006126282750
                   +1 :               0.00033877110371
                3p
                   -1 :              -0.00003143734015
                   +0 :               0.00000629294728
                   +1 :              -0.00025180090742
                3d
                   -2 :              -0.00002513885089
                   -1 :              -0.00002102377901
                   +0 :               0.00002516221299
                   +1 :               0.00001337607103
                   +2 :              -0.00002423273094
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000390582214
                2s
                   +0 :              -0.00018004341397
                3s
                   +0 :              -0.00000035880220
                2p
                   -1 :               0.00025883807114
                   +0 :               0.00028955281052
                   +1 :               0.00013278809291
                3p
                   -1 :              -0.00019323963846
                   +0 :              -0.00026883014008
                   +1 :              -0.00012271815208
                3d
                   -2 :               0.00000338011403
                   -1 :              -0.00001733334671
                   +0 :              -0.00002873353511
                   +1 :               0.00000719144300
                   +2 :               0.00002376645235
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000311457327
                2s
                   +0 :               0.00020815404295
                3s
                   +0 :               0.00000872635558
                2p
                   -1 :              -0.00019294206952
                   +0 :               0.00024092056253
                   +1 :               0.00039020446652
                3p
                   -1 :               0.00013743384283
                   +0 :              -0.00003736395540
                   +1 :              -0.00029043355487
                3d
                   -2 :              -0.00003112397403
                   -1 :               0.00000277671974
                   +0 :              -0.00004611367271
                   +1 :              -0.00001081961070
                   +2 :              -0.00001203457514
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00001899082857
                2s
                   +0 :              -0.00009725842796
                3s
                   +0 :               0.00005673031318
                2p
                   -1 :              -0.00013342699027
                   +0 :              -0.00007424037908
                   +1 :              -0.00008455779253
                3p
                   -1 :               0.00012135587317
                   +0 :               0.00003094612426
                   +1 :               0.00008770763388
                3d
                   -2 :              -0.00000644866295
                   -1 :              -0.00000260286368
                   +0 :               0.00000507082172
                   +1 :               0.00000748948433
                   +2 :               0.00000532477389
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000861637201
                2s
                   +0 :              -0.00008178505288
                3s
                   +0 :               0.00001571511940
                2p
                   -1 :               0.00024635501472
                   +0 :              -0.00014749279987
                   +1 :              -0.00003143734309
                3p
                   -1 :              -0.00018374469985
                   +0 :               0.00010673741836
                   +1 :               0.00004716409740
                3d
                   -2 :               0.00000034050172
                   -1 :              -0.00000039813795
                   +0 :              -0.00000141604293
                   +1 :               0.00000217271682
                   +2 :              -0.00000652858654
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00003152766234
                2s
                   +0 :               0.00021918651473
                3s
                   +0 :              -0.00004514537150
                2p
                   -1 :              -0.00029312300438
                   +0 :               0.00008432043301
                   +1 :               0.00011674154303
                3p
                   -1 :               0.00018959244756
                   +0 :              -0.00001467274495
                   +1 :              -0.00006747134231
                3d
                   -2 :               0.00000764842899
                   -1 :               0.00000692827276
                   +0 :               0.00000501617395
                   +1 :              -0.00000119172487
                   +2 :              -0.00000061502339
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00005131351648
                2s
                   +0 :               0.00037059429167
                3s
                   +0 :              -0.00014817618719
                2p
                   -1 :               0.00018213858905
                   +0 :               0.00015401110638
                   +1 :               0.00012369463221
                3p
                   -1 :              -0.00011211386504
                   +0 :              -0.00007631976666
                   +1 :              -0.00006218937604
                3d
                   -2 :               0.00000826911224
                   -1 :              -0.00000287526602
                   +0 :               0.00000312594335
                   +1 :              -0.00000318451985
                   +2 :              -0.00001863018273
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000313787757
                2s
                   +0 :              -0.00008787897716
                3s
                   +0 :              -0.00001982647811
                2p
                   -1 :               0.00016892202372
                   +0 :              -0.00015450629298
                   +1 :               0.00002510824808
                3p
                   -1 :              -0.00020318841615
                   +0 :               0.00008718750201
                   +1 :               0.00004435451062
                3d
                   -2 :               0.00000174384363
                   -1 :               0.00001267123456
                   +0 :               0.00001055819416
                   +1 :               0.00000314481191
                   +2 :               0.00001806677309
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000203497888
                2s
                   +0 :              -0.00007188821645
                3s
                   +0 :              -0.00000353384700
                2p
                   -1 :              -0.00002058438469
                   +0 :               0.00003625792738
                   +1 :              -0.00007793906398
                3p
                   -1 :               0.00000703089662
                   +0 :              -0.00008328847202
                   +1 :               0.00006471330052
                3d
                   -2 :               0.00001016678324
                   -1 :              -0.00001188220654
                   +0 :              -0.00000612169183
                   +1 :               0.00000713616721
                   +2 :              -0.00001016499281
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00001427260129
                2s
                   +0 :               0.00008852358433
                3s
                   +0 :              -0.00005835979477
                2p
                   -1 :               0.00008780894530
                   +0 :              -0.00005996388785
                   +1 :              -0.00001527352695
                3p
                   -1 :              -0.00008126899072
                   +0 :               0.00003527070283
                   +1 :              -0.00000401006562
                3d
                   -2 :              -0.00000378548939
                   -1 :               0.00000567832108
                   +0 :               0.00000476727660
                   +1 :               0.00000343501112
                   +2 :               0.00000381574808
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000771281017
                2s
                   +0 :               0.00005382320433
                3s
                   +0 :              -0.00002028639573
                2p
                   -1 :              -0.00003622482570
                   +0 :              -0.00003893911531
                   +1 :              -0.00004323834106
                3p
                   -1 :               0.00000452563808
                   +0 :               0.00002865748016
                   +1 :               0.00000903413726
                3d
                   -2 :              -0.00000368183183
                   -1 :               0.00000281902541
                   +0 :              -0.00000215394057
                   +1 :               0.00000129575505
                   +2 :               0.00000264711208
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001938348324
                2s
                   +0 :               0.00011782913519
                3s
                   +0 :              -0.00005946916981
                2p
                   -1 :              -0.00000071021227
                   +0 :              -0.00004869064099
                   +1 :              -0.00009687986314
                3p
                   -1 :              -0.00000763508379
                   +0 :               0.00006614269902
                   +1 :               0.00006745262406
                3d
                   -2 :               0.00000240034416
                   -1 :               0.00000300597847
                   +0 :               0.00000169711028
                   +1 :              -0.00000326892328
                   +2 :               0.00000532197500
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 22)  npairs=  14
              1 vec=     2.803193     -1.376461     -4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00227196919851
                2s
                   +0 :               0.03771759152493
                3s
                   +0 :              -0.00361634331648
                2p
                   -1 :              -0.00884450194030
                   +0 :              -0.01549660574342
                   +1 :               0.00644817736199
                3p
                   -1 :               0.00181339509189
                   +0 :              -0.00198474688079
                   +1 :               0.00078936944262
                3d
                   -2 :               0.00001072150361
                   -1 :               0.00195510373117
                   +0 :               0.00081834770044
                   +1 :              -0.00016548323031
                   +2 :              -0.00086455241620
              2 vec=    -4.976970      3.115418     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00161515583132
                2s
                   +0 :              -0.01307706451355
                3s
                   +0 :               0.00606198773629
                2p
                   -1 :              -0.00481048103958
                   +0 :               0.01174552648199
                   +1 :               0.00967942951237
                3p
                   -1 :               0.00342921319947
                   +0 :              -0.00745482532725
                   +1 :              -0.00649017381094
                3d
                   -2 :              -0.00037115558106
                   -1 :              -0.00032614813280
                   +0 :               0.00039322145738
                   +1 :               0.00122155223672
                   +2 :               0.00039103912403
              3 vec=    -4.976970     -5.868340     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00006710729745
                2s
                   +0 :               0.00064805328100
                3s
                   +0 :              -0.00063634359427
                2p
                   -1 :               0.00483657833516
                   +0 :               0.00245421179455
                   +1 :              -0.00097519079071
                3p
                   -1 :              -0.00273388167100
                   +0 :              -0.00070955361067
                   +1 :               0.00165461992335
                3d
                   -2 :               0.00007194904050
                   -1 :              -0.00000956850774
                   +0 :               0.00002232405070
                   +1 :              -0.00000608974206
                   +2 :              -0.00009979167647
              4 vec=     2.803193      7.607297     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00018020065214
                2s
                   +0 :               0.00169382367552
                3s
                   +0 :              -0.00043135558430
                2p
                   -1 :               0.00043024948533
                   +0 :              -0.00072422157327
                   +1 :              -0.00225846544901
                3p
                   -1 :               0.00001802041310
                   +0 :              -0.00015103884120
                   +1 :               0.00156219157102
                3d
                   -2 :               0.00011428892012
                   -1 :              -0.00027014023473
                   +0 :              -0.00020015017312
                   +1 :              -0.00002399479586
                   +2 :               0.00001292376852
              5 vec=     2.803193    -10.360219     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00020258584036
                2s
                   +0 :              -0.00211520987808
                3s
                   +0 :               0.00047982367589
                2p
                   -1 :               0.00129719728461
                   +0 :              -0.00027116919292
                   +1 :              -0.00141547676016
                3p
                   -1 :              -0.00060201813334
                   +0 :              -0.00008914003706
                   +1 :               0.00075075956759
                3d
                   -2 :               0.00002872002093
                   -1 :               0.00002672500526
                   +0 :              -0.00001062901728
                   +1 :              -0.00003293008285
                   +2 :               0.00002280212268
              6 vec=    10.583355      3.115418     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00011726619794
                2s
                   +0 :              -0.00108419491663
                3s
                   +0 :               0.00047276522211
                2p
                   -1 :              -0.00050375252798
                   +0 :               0.00012819350138
                   +1 :              -0.00153945993734
                3p
                   -1 :               0.00061189518423
                   +0 :              -0.00074522053408
                   +1 :               0.00076439890036
                3d
                   -2 :               0.00005974094546
                   -1 :              -0.00016374999452
                   +0 :               0.00005657617224
                   +1 :              -0.00017867307424
                   +2 :              -0.00005728661376
              7 vec=    10.583355     -5.868340     -4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00003960621517
                2s
                   +0 :               0.00062302783020
                3s
                   +0 :              -0.00003754562498
                2p
                   -1 :               0.00018928638931
                   +0 :              -0.00009355320677
                   +1 :              -0.00006939448621
                3p
                   -1 :              -0.00028625876070
                   +0 :               0.00006562866692
                   +1 :               0.00027107693234
                3d
                   -2 :              -0.00004299261836
                   -1 :              -0.00000478601419
                   +0 :              -0.00000678358361
                   +1 :              -0.00001172321870
                   +2 :               0.00001575225609
              8 vec=   -12.757133     -1.376461     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00000114643268
                2s
                   +0 :              -0.00033770205367
                3s
                   +0 :              -0.00013438342126
                2p
                   -1 :              -0.00003575837447
                   +0 :               0.00022725266387
                   +1 :              -0.00004883121262
                3p
                   -1 :               0.00024369943024
                   +0 :               0.00017271522390
                   +1 :               0.00029790236675
                3d
                   -2 :              -0.00003207842379
                   -1 :              -0.00004937149470
                   +0 :              -0.00001458886321
                   +1 :              -0.00001248470791
                   +2 :               0.00003180189597
              9 vec=    -4.976970     12.099176     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00001264200982
                2s
                   +0 :              -0.00015329904514
                3s
                   +0 :              -0.00004933502986
                2p
                   -1 :              -0.00068555662232
                   +0 :              -0.00005960518411
                   +1 :               0.00002662463063
                3p
                   -1 :               0.00050223659445
                   +0 :               0.00006752904902
                   +1 :              -0.00006492586363
                3d
                   -2 :              -0.00003168619020
                   -1 :               0.00001668618448
                   +0 :              -0.00001710620871
                   +1 :              -0.00001795032495
                   +2 :              -0.00001676048087
             10 vec=   -12.757133      7.607297     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00001582779742
                2s
                   +0 :              -0.00005581272829
                3s
                   +0 :               0.00009414394623
                2p
                   -1 :              -0.00011778363716
                   +0 :               0.00005942033173
                   +1 :               0.00004904665476
                3p
                   -1 :               0.00020389834721
                   +0 :              -0.00003173559846
                   +1 :               0.00003651120139
                3d
                   -2 :              -0.00001384272518
                   -1 :               0.00001621947870
                   +0 :              -0.00003067142077
                   +1 :               0.00001036283085
                   +2 :              -0.00002848185629
             11 vec=    -4.976970    -14.852098     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00004343742195
                2s
                   +0 :              -0.00025555320414
                3s
                   +0 :               0.00013424436507
                2p
                   -1 :               0.00025035687088
                   +0 :              -0.00019045619150
                   +1 :              -0.00005933599779
                3p
                   -1 :              -0.00027229247711
                   +0 :               0.00014546921016
                   +1 :              -0.00000960094506
                3d
                   -2 :               0.00002645672940
                   -1 :              -0.00000337073121
                   +0 :              -0.00001551442890
                   +1 :              -0.00000584549275
                   +2 :              -0.00002884276412
             12 vec=    10.583355     12.099176     -4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00003800454376
                2s
                   +0 :               0.00030064378356
                3s
                   +0 :              -0.00012568630939
                2p
                   -1 :               0.00001867160788
                   +0 :              -0.00009509208282
                   +1 :               0.00014569179580
                3p
                   -1 :               0.00000636112040
                   +0 :               0.00000475702100
                   +1 :              -0.00007367717508
                3d
                   -2 :              -0.00001520989737
                   -1 :               0.00000749155859
                   +0 :               0.00000647344657
                   +1 :               0.00002063041357
                   +2 :              -0.00002250513192
             13 vec=   -12.757133    -10.360219     -4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00001012043565
                2s
                   +0 :              -0.00007863744505
                3s
                   +0 :              -0.00001391556893
                2p
                   -1 :               0.00001925251829
                   +0 :              -0.00004457224864
                   +1 :              -0.00000020674872
                3p
                   -1 :               0.00003930181644
                   +0 :               0.00005652714988
                   +1 :               0.00008223463661
                3d
                   -2 :              -0.00000958841139
                   -1 :              -0.00000930349047
                   +0 :               0.00000335550783
                   +1 :              -0.00000646411799
                   +2 :               0.00000404799515
             14 vec=     2.803193     16.591055     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00001541121066
                2s
                   +0 :               0.00012453422281
                3s
                   +0 :              -0.00004802879437
                2p
                   -1 :               0.00007316472167
                   +0 :               0.00000607907996
                   +1 :              -0.00005376061133
                3p
                   -1 :              -0.00003161605899
                   +0 :               0.00002291097925
                   +1 :               0.00002833300743
                3d
                   -2 :              -0.00000514182022
                   -1 :              -0.00000240371621
                   +0 :              -0.00000224098136
                   +1 :              -0.00000253518123
                   +2 :              -0.00000046446238
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805      3.115418     -4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00192802894279
                2s
                   +0 :               0.00787969368487
                3s
                   +0 :              -0.00601285140473
                2p
                   -1 :               0.00484865749721
                   +0 :              -0.00105086085265
                   +1 :              -0.00626775628918
                3p
                   -1 :              -0.00480640501139
                   +0 :               0.00337236045161
                   +1 :              -0.00322114908822
                3d
                   -2 :              -0.00071551101040
                   -1 :               0.00057815810344
                   +0 :              -0.00048016788099
                   +1 :               0.00161964823464
                   +2 :               0.00026300175059
              2 vec=    -0.209805     -5.868340     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00030388422807
                2s
                   +0 :               0.00211173172989
                3s
                   +0 :              -0.00186929342073
                2p
                   -1 :              -0.00113651287820
                   +0 :               0.00023338706541
                   +1 :               0.00322673669168
                3p
                   -1 :               0.00060677358353
                   +0 :               0.00003853441255
                   +1 :              -0.00741319691247
                3d
                   -2 :               0.00147838507854
                   -1 :              -0.00044565114478
                   +0 :               0.00006177009709
                   +1 :               0.00048032954693
                   +2 :               0.00063002463994
              3 vec=     7.570358     -1.376461     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00005719135717
                2s
                   +0 :              -0.00013220674588
                3s
                   +0 :               0.00026033291373
                2p
                   -1 :              -0.00129355019652
                   +0 :              -0.00016642311253
                   +1 :               0.00095320458838
                3p
                   -1 :               0.00070604813814
                   +0 :              -0.00007312012597
                   +1 :              -0.00073897258856
                3d
                   -2 :              -0.00004309596752
                   -1 :              -0.00005692967467
                   +0 :              -0.00002366981720
                   +1 :              -0.00003439635309
                   +2 :              -0.00002298430316
              4 vec=    -7.989968     -1.376461     -4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00014239608945
                2s
                   +0 :              -0.00076229901337
                3s
                   +0 :               0.00035733491407
                2p
                   -1 :               0.00101563154491
                   +0 :               0.00262095441678
                   +1 :              -0.00042755914560
                3p
                   -1 :              -0.00044905862073
                   +0 :              -0.00147301637743
                   +1 :               0.00022939124185
                3d
                   -2 :               0.00009539375297
                   -1 :               0.00004473341260
                   +0 :              -0.00004341390287
                   +1 :               0.00004775911749
                   +2 :              -0.00006818996294
              5 vec=     7.570358      7.607297     -4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00005822942517
                2s
                   +0 :               0.00084382380691
                3s
                   +0 :              -0.00014488893351
                2p
                   -1 :               0.00145958908589
                   +0 :               0.00035421413499
                   +1 :               0.00117265958665
                3p
                   -1 :              -0.00072363449705
                   +0 :              -0.00041226866554
                   +1 :              -0.00068356892535
                3d
                   -2 :              -0.00004076091185
                   -1 :              -0.00007439616342
                   +0 :               0.00003340475862
                   +1 :              -0.00000617229132
                   +2 :              -0.00006061749968
              6 vec=    -7.989968      7.607297     -4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00004930687804
                2s
                   +0 :              -0.00001962187227
                3s
                   +0 :              -0.00017578358532
                2p
                   -1 :               0.00030465611175
                   +0 :               0.00095171390740
                   +1 :              -0.00045967045243
                3p
                   -1 :              -0.00047730433828
                   +0 :              -0.00072797153767
                   +1 :               0.00043265342846
                3d
                   -2 :               0.00008655088677
                   -1 :               0.00000410227187
                   +0 :              -0.00007972078075
                   +1 :               0.00006335505997
                   +2 :               0.00002623529100
              7 vec=    -0.209805     12.099176     -4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00003479856390
                2s
                   +0 :              -0.00015513684331
                3s
                   +0 :               0.00006223487060
                2p
                   -1 :              -0.00030431249270
                   +0 :              -0.00081533539147
                   +1 :              -0.00042211560746
                3p
                   -1 :               0.00020872315480
                   +0 :               0.00062694304725
                   +1 :               0.00027315819837
                3d
                   -2 :               0.00002201708898
                   -1 :               0.00006642490352
                   +0 :               0.00000652284813
                   +1 :               0.00001348887665
                   +2 :               0.00002937206362
              8 vec=     7.570358    -10.360219     -4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00003137482440
                2s
                   +0 :               0.00034659674381
                3s
                   +0 :              -0.00003686949441
                2p
                   -1 :              -0.00027357906105
                   +0 :              -0.00038701564472
                   +1 :              -0.00024687509991
                3p
                   -1 :               0.00008014428658
                   +0 :               0.00017037242879
                   +1 :               0.00016046768661
                3d
                   -2 :              -0.00004547031148
                   -1 :               0.00000332534279
                   +0 :               0.00003928470403
                   +1 :               0.00002437770271
                   +2 :               0.00000293386683
              9 vec=    -7.989968    -10.360219     -4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00000095552113
                2s
                   +0 :              -0.00032621769754
                3s
                   +0 :              -0.00005520854716
                2p
                   -1 :               0.00007142627049
                   +0 :               0.00021379767373
                   +1 :              -0.00005006735303
                3p
                   -1 :               0.00005073977835
                   +0 :              -0.00006552061870
                   +1 :               0.00019256931855
                3d
                   -2 :              -0.00005180333660
                   -1 :               0.00001074458653
                   +0 :              -0.00000178763006
                   +1 :              -0.00000467557332
                   +2 :              -0.00001191947721
             10 vec=    -0.209805    -14.852098     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00000663607435
                2s
                   +0 :               0.00003783082918
                3s
                   +0 :              -0.00003575315353
                2p
                   -1 :               0.00004674376571
                   +0 :               0.00003789826344
                   +1 :               0.00016604433075
                3p
                   -1 :              -0.00004112961423
                   +0 :              -0.00006367407155
                   +1 :              -0.00004944553784
                3d
                   -2 :              -0.00002608388573
                   -1 :              -0.00000043518500
                   +0 :              -0.00000049196197
                   +1 :              -0.00001698689334
                   +2 :              -0.00001079861308
             11 vec=    15.350520      3.115418     -4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00004290397497
                2s
                   +0 :              -0.00038319647539
                3s
                   +0 :               0.00007409424812
                2p
                   -1 :              -0.00011685605090
                   +0 :               0.00012581540074
                   +1 :              -0.00033008003197
                3p
                   -1 :               0.00012701625518
                   +0 :              -0.00016790693778
                   +1 :               0.00012710075418
                3d
                   -2 :               0.00000762162331
                   -1 :              -0.00000666661391
                   +0 :               0.00000344353798
                   +1 :              -0.00001112631948
                   +2 :              -0.00002624224586
             12 vec=   -15.770130      3.115418     -4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00004216916326
                2s
                   +0 :               0.00041247976390
                3s
                   +0 :              -0.00011501207935
                2p
                   -1 :              -0.00011499998619
                   +0 :              -0.00005505552971
                   +1 :              -0.00036270873155
                3p
                   -1 :               0.00006025665397
                   +0 :               0.00013918967005
                   +1 :               0.00022800401133
                3d
                   -2 :               0.00000469243808
                   -1 :              -0.00000078719533
                   +0 :               0.00000749980501
                   +1 :              -0.00001235939027
                   +2 :               0.00001062520698
             13 vec=    15.350520     -5.868340     -4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00003196936228
                2s
                   +0 :               0.00027018794623
                3s
                   +0 :              -0.00006269977517
                2p
                   -1 :               0.00005871237287
                   +0 :              -0.00010286870748
                   +1 :               0.00018733752047
                3p
                   -1 :              -0.00006282313896
                   +0 :               0.00006043522127
                   +1 :              -0.00007006654616
                3d
                   -2 :              -0.00001280284247
                   -1 :              -0.00000176436269
                   +0 :               0.00000528173478
                   +1 :               0.00000564461940
                   +2 :               0.00000600454136
             14 vec=   -15.770130     -5.868340     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00002171707840
                2s
                   +0 :              -0.00017257796233
                3s
                   +0 :               0.00004431668626
                2p
                   -1 :              -0.00002433618204
                   +0 :               0.00000911323379
                   +1 :              -0.00004897203961
                3p
                   -1 :               0.00004140910883
                   +0 :               0.00002485268196
                   +1 :               0.00010944974582
                3d
                   -2 :              -0.00000193967507
                   -1 :              -0.00000022103611
                   +0 :              -0.00000102794812
                   +1 :              -0.00000243460692
                   +2 :              -0.00001056862561
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 24)  npairs=  14
              1 vec=    -2.593388     -1.013068     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00137519819055
                2s
                   +0 :              -0.04429290717916
                3s
                   +0 :               0.00284977327405
                2p
                   -1 :               0.00354462341612
                   +0 :               0.02725700735638
                   +1 :               0.00730591752333
                3p
                   -1 :               0.00289983957925
                   +0 :              -0.00172654331202
                   +1 :              -0.00217762383593
                3d
                   -2 :              -0.00096324660797
                   -1 :              -0.00151551796652
                   +0 :              -0.00124465200151
                   +1 :               0.00071124358314
                   +2 :               0.00064332033216
              2 vec=     5.186775      3.478811     -4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00055697260062
                2s
                   +0 :               0.00495309433348
                3s
                   +0 :              -0.00141381970014
                2p
                   -1 :               0.00222404357919
                   +0 :               0.00279973152862
                   +1 :               0.00568614230792
                3p
                   -1 :               0.00023421941397
                   +0 :              -0.00433924003855
                   +1 :              -0.00292681067687
                3d
                   -2 :              -0.00033947155689
                   -1 :               0.00012616773875
                   +0 :               0.00040921817343
                   +1 :               0.00031438900049
                   +2 :              -0.00012687217313
              3 vec=     5.186775     -5.504947     -4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00005145227917
                2s
                   +0 :              -0.00038773986803
                3s
                   +0 :               0.00061977830114
                2p
                   -1 :              -0.00052422666017
                   +0 :               0.00288068706300
                   +1 :               0.00146418301489
                3p
                   -1 :              -0.00093145239619
                   +0 :              -0.00266557159011
                   +1 :               0.00033212611861
                3d
                   -2 :              -0.00013677279712
                   -1 :               0.00018288915809
                   +0 :              -0.00001047343646
                   +1 :              -0.00025608483987
                   +2 :               0.00012562601010
              4 vec=    -2.593388      7.970690     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00059614097725
                2s
                   +0 :              -0.00388474750844
                3s
                   +0 :               0.00155437557039
                2p
                   -1 :              -0.00134268746714
                   +0 :              -0.00037973427972
                   +1 :               0.00030243537911
                3p
                   -1 :               0.00048728798332
                   +0 :               0.00130512962707
                   +1 :              -0.00035941254511
                3d
                   -2 :               0.00001100935155
                   -1 :               0.00003107958287
                   +0 :              -0.00015057597034
                   +1 :               0.00006942461783
                   +2 :               0.00001323297032
              5 vec=    -2.593388     -9.996826     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00035861413056
                2s
                   +0 :               0.00268975632835
                3s
                   +0 :              -0.00125359455218
                2p
                   -1 :              -0.00314862032401
                   +0 :               0.00013746980773
                   +1 :              -0.00068274364200
                3p
                   -1 :               0.00217523486598
                   +0 :               0.00007757900166
                   +1 :               0.00049201084427
                3d
                   -2 :              -0.00002581409014
                   -1 :               0.00005019880112
                   +0 :               0.00007627829619
                   +1 :               0.00005037018178
                   +2 :               0.00003266116309
              6 vec=   -10.373550      3.478811     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00003795955606
                2s
                   +0 :               0.00046581484466
                3s
                   +0 :               0.00000623716659
                2p
                   -1 :               0.00185225688986
                   +0 :              -0.00037405587879
                   +1 :               0.00014347124466
                3p
                   -1 :              -0.00192230762442
                   +0 :               0.00091919037163
                   +1 :              -0.00066194428280
                3d
                   -2 :               0.00006363508686
                   -1 :               0.00004714716534
                   +0 :              -0.00002334256178
                   +1 :              -0.00010486060760
                   +2 :               0.00015384627882
              7 vec=   -10.373550     -5.504947     -4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00000654274408
                2s
                   +0 :              -0.00022767791369
                3s
                   +0 :              -0.00003659680390
                2p
                   -1 :               0.00021113957745
                   +0 :               0.00012600053934
                   +1 :               0.00067651283993
                3p
                   -1 :              -0.00024947418215
                   +0 :              -0.00028566487881
                   +1 :              -0.00049071335413
                3d
                   -2 :               0.00001857137433
                   -1 :               0.00003546620869
                   +0 :               0.00000093654012
                   +1 :               0.00005457649094
                   +2 :               0.00000871344348
              8 vec=    12.966938     -1.013068     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00003190391050
                2s
                   +0 :               0.00073175219679
                3s
                   +0 :               0.00000230621155
                2p
                   -1 :               0.00018903448291
                   +0 :              -0.00055180015531
                   +1 :               0.00067617764369
                3p
                   -1 :              -0.00021405883321
                   +0 :              -0.00001518536324
                   +1 :              -0.00016795408438
                3d
                   -2 :               0.00001097846918
                   -1 :               0.00000280154696
                   +0 :               0.00000851079268
                   +1 :              -0.00002098276214
                   +2 :               0.00001776363329
              9 vec=     5.186775     12.462569     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00006444657866
                2s
                   +0 :               0.00058699989717
                3s
                   +0 :              -0.00014767334062
                2p
                   -1 :               0.00031871905270
                   +0 :               0.00007015795016
                   +1 :              -0.00002744516425
                3p
                   -1 :              -0.00010132201560
                   +0 :              -0.00013721385032
                   +1 :               0.00000369856990
                3d
                   -2 :              -0.00001040414271
                   -1 :               0.00001118278246
                   +0 :               0.00000897786964
                   +1 :              -0.00000231366571
                   +2 :               0.00001465009883
             10 vec=    12.966938      7.970690     -4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00001948117656
                2s
                   +0 :              -0.00009436977209
                3s
                   +0 :               0.00007405454905
                2p
                   -1 :               0.00001071751011
                   +0 :               0.00007002360274
                   +1 :               0.00011600823017
                3p
                   -1 :              -0.00004644973642
                   +0 :              -0.00010196409310
                   +1 :              -0.00000571182845
                3d
                   -2 :              -0.00000042956090
                   -1 :              -0.00000382390492
                   +0 :               0.00000444427495
                   +1 :               0.00000803288706
                   +2 :               0.00002828603330
             11 vec=     5.186775    -14.488705     -4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00000695220633
                2s
                   +0 :              -0.00020704611505
                3s
                   +0 :              -0.00004721557264
                2p
                   -1 :               0.00014198210222
                   +0 :               0.00000845517249
                   +1 :              -0.00019350967167
                3p
                   -1 :               0.00009547734560
                   +0 :               0.00000679230660
                   +1 :              -0.00000325151285
                3d
                   -2 :               0.00001605790392
                   -1 :              -0.00000664307676
                   +0 :               0.00000210279933
                   +1 :               0.00000856501567
                   +2 :               0.00001755200663
             12 vec=   -10.373550     12.462569     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00000078232478
                2s
                   +0 :               0.00002166594572
                3s
                   +0 :               0.00002713742352
                2p
                   -1 :              -0.00003135087260
                   +0 :               0.00005847040737
                   +1 :               0.00010659282882
                3p
                   -1 :               0.00009623613800
                   +0 :               0.00002536930905
                   +1 :              -0.00008101909876
                3d
                   -2 :              -0.00001635987424
                   -1 :              -0.00000929705157
                   +0 :              -0.00001385770652
                   +1 :               0.00000268993136
                   +2 :              -0.00000098556307
             13 vec=    12.966938     -9.996826     -4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00002909408456
                2s
                   +0 :               0.00020301820484
                3s
                   +0 :              -0.00008482455306
                2p
                   -1 :              -0.00026512497901
                   +0 :              -0.00006322224861
                   +1 :               0.00004960098722
                3p
                   -1 :               0.00013881376007
                   +0 :               0.00003180640472
                   +1 :              -0.00001669606007
                3d
                   -2 :              -0.00000106858768
                   -1 :               0.00000012127383
                   +0 :               0.00000024503258
                   +1 :               0.00000020775279
                   +2 :               0.00000206324453
             14 vec=    -2.593388     16.954448     -4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00000019170918
                2s
                   +0 :              -0.00000453500913
                3s
                   +0 :              -0.00001122733842
                2p
                   -1 :               0.00006027598297
                   +0 :              -0.00001619354111
                   +1 :               0.00000848946080
                3p
                   -1 :              -0.00007775453805
                   +0 :               0.00000857785417
                   +1 :              -0.00002409737662
                3d
                   -2 :              -0.00000941441720
                   -1 :               0.00000138683074
                   +0 :               0.00000643771057
                   +1 :               0.00000116487921
                   +2 :               0.00000508286606
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 25)  npairs=  15
              1 vec=     4.976970      0.363094     -8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00010625354529
                2s
                   +0 :               0.00127563402663
                3s
                   +0 :              -0.00003581386983
                2p
                   -1 :               0.00193318925985
                   +0 :              -0.00202647752906
                   +1 :              -0.00011573664466
                3p
                   -1 :              -0.00081398718184
                   +0 :               0.00038143824215
                   +1 :               0.00055391244958
                3d
                   -2 :              -0.00009977353134
                   -1 :              -0.00006334841512
                   +0 :              -0.00008629942759
                   +1 :              -0.00005758371167
                   +2 :               0.00001582844925
              2 vec=    -2.803193     -4.128785     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00015664953706
                2s
                   +0 :              -0.00154318670345
                3s
                   +0 :               0.00008397486332
                2p
                   -1 :               0.00363659911777
                   +0 :               0.00170379947754
                   +1 :              -0.00184689054532
                3p
                   -1 :              -0.00134821672053
                   +0 :               0.00077184763516
                   +1 :               0.00157443259015
                3d
                   -2 :              -0.00009368193585
                   -1 :              -0.00000617604795
                   +0 :              -0.00006530770924
                   +1 :              -0.00013437569536
                   +2 :               0.00005740314872
              3 vec=    -2.803193      4.854973     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00000039108081
                2s
                   +0 :               0.00044815268148
                3s
                   +0 :              -0.00002662007185
                2p
                   -1 :               0.00121557256783
                   +0 :              -0.00122211137801
                   +1 :               0.00060227305001
                3p
                   -1 :              -0.00097092559139
                   +0 :               0.00098159985256
                   +1 :              -0.00075440988431
                3d
                   -2 :              -0.00001740638484
                   -1 :               0.00000172927593
                   +0 :               0.00011629191131
                   +1 :               0.00001359674905
                   +2 :              -0.00005053431491
              4 vec=     4.976970     -8.620664     -8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00008144937842
                2s
                   +0 :               0.00046852443237
                3s
                   +0 :              -0.00029378056675
                2p
                   -1 :              -0.00047315537028
                   +0 :               0.00045037049094
                   +1 :               0.00039783837677
                3p
                   -1 :               0.00042789104360
                   +0 :              -0.00015305619004
                   +1 :              -0.00049755942597
                3d
                   -2 :               0.00003204568212
                   -1 :              -0.00002863425697
                   +0 :              -0.00002185788628
                   +1 :               0.00003135165293
                   +2 :               0.00000424268523
              5 vec=     4.976970      9.346852     -8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00006445904835
                2s
                   +0 :               0.00063419711938
                3s
                   +0 :              -0.00024729942628
                2p
                   -1 :              -0.00003591695035
                   +0 :              -0.00034824397973
                   +1 :              -0.00003574671036
                3p
                   -1 :               0.00007947574933
                   +0 :               0.00007579636499
                   +1 :               0.00009357875464
                3d
                   -2 :              -0.00000110539454
                   -1 :               0.00002930371088
                   +0 :              -0.00000113874394
                   +1 :               0.00001095974252
                   +2 :               0.00003967130287
              6 vec=   -10.583355      0.363094     -8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00002147534115
                2s
                   +0 :              -0.00006855797797
                3s
                   +0 :              -0.00008466156289
                2p
                   -1 :              -0.00007507038387
                   +0 :              -0.00010517790216
                   +1 :              -0.00019116867816
                3p
                   -1 :              -0.00001924821862
                   +0 :               0.00011232972201
                   +1 :               0.00029909032585
                3d
                   -2 :               0.00002669526892
                   -1 :              -0.00002502778018
                   +0 :               0.00000823182567
                   +1 :              -0.00000282837359
                   +2 :               0.00001687806067
              7 vec=    12.757133     -4.128785     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00001850071493
                2s
                   +0 :               0.00021847094903
                3s
                   +0 :              -0.00003831919327
                2p
                   -1 :              -0.00011680567172
                   +0 :              -0.00017557202864
                   +1 :               0.00015023442767
                3p
                   -1 :               0.00006821926859
                   +0 :               0.00006479135276
                   +1 :              -0.00008710328182
                3d
                   -2 :               0.00000293109971
                   -1 :              -0.00000554970226
                   +0 :              -0.00000091757929
                   +1 :              -0.00000041784186
                   +2 :               0.00000761933328
              8 vec=    -2.803193    -13.112543     -8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00002998921982
                2s
                   +0 :              -0.00026790189856
                3s
                   +0 :               0.00006711852392
                2p
                   -1 :               0.00025305523272
                   +0 :               0.00000555707553
                   +1 :              -0.00019170309197
                3p
                   -1 :              -0.00011870438610
                   +0 :              -0.00007212460827
                   +1 :               0.00017586801151
                3d
                   -2 :              -0.00000877548784
                   -1 :               0.00000695332849
                   +0 :               0.00002684733375
                   +1 :              -0.00000335294897
                   +2 :               0.00001515797668
              9 vec=    12.757133      4.854973     -8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00000260243479
                2s
                   +0 :               0.00008420826004
                3s
                   +0 :              -0.00000064786776
                2p
                   -1 :               0.00022968895260
                   +0 :              -0.00040384907751
                   +1 :               0.00000029745700
                3p
                   -1 :              -0.00018281953142
                   +0 :               0.00032966140711
                   +1 :               0.00012734633248
                3d
                   -2 :              -0.00000021957944
                   -1 :              -0.00000146315308
                   +0 :              -0.00002164725065
                   +1 :               0.00001715461017
                   +2 :               0.00002205996443
             10 vec=   -10.583355     -8.620664     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00001596021015
                2s
                   +0 :               0.00007330726684
                3s
                   +0 :              -0.00007084292799
                2p
                   -1 :              -0.00005159029524
                   +0 :               0.00001431409933
                   +1 :               0.00000266061627
                3p
                   -1 :               0.00002107267860
                   +0 :              -0.00001538004155
                   +1 :               0.00002744939178
                3d
                   -2 :               0.00000901188502
                   -1 :              -0.00000811905109
                   +0 :              -0.00000683032809
                   +1 :               0.00000703707166
                   +2 :              -0.00000071202638
             11 vec=    -2.803193     13.838731     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000175861957
                2s
                   +0 :              -0.00005968701776
                3s
                   +0 :               0.00003706849551
                2p
                   -1 :              -0.00003043694522
                   +0 :              -0.00000194490394
                   +1 :               0.00013694734513
                3p
                   -1 :               0.00001212826059
                   +0 :               0.00004179158289
                   +1 :              -0.00015625046051
                3d
                   -2 :              -0.00001553460055
                   -1 :              -0.00000946171089
                   +0 :              -0.00001385741691
                   +1 :               0.00000708274816
                   +2 :              -0.00001277287305
             12 vec=   -10.583355      9.346852     -8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00006781819995
                2s
                   +0 :               0.00036503538654
                3s
                   +0 :              -0.00017793347609
                2p
                   -1 :               0.00026595481465
                   +0 :              -0.00003836142451
                   +1 :               0.00008985357171
                3p
                   -1 :              -0.00027050987935
                   +0 :               0.00004808137633
                   +1 :              -0.00005145196539
                3d
                   -2 :              -0.00000173298315
                   -1 :               0.00000641832712
                   +0 :               0.00000602691333
                   +1 :              -0.00000482395141
                   +2 :              -0.00000259428153
             13 vec=     4.976970      0.363094     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00001347576958
                2s
                   +0 :               0.00008479904800
                3s
                   +0 :              -0.00004799778022
                2p
                   -1 :               0.00002956779989
                   +0 :               0.00006112167929
                   +1 :              -0.00003544819964
                3p
                   -1 :              -0.00003061288208
                   +0 :              -0.00002753847420
                   +1 :               0.00001666344755
                3d
                   -2 :              -0.00000176163571
                   -1 :               0.00000108950741
                   +0 :              -0.00000666439487
                   +1 :              -0.00000181040493
                   +2 :              -0.00000085278920
             14 vec=    -2.803193     -4.128785     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00000929797152
                2s
                   +0 :               0.00009582191930
                3s
                   +0 :              -0.00002018814383
                2p
                   -1 :              -0.00002374941930
                   +0 :               0.00010148513456
                   +1 :              -0.00002829771118
                3p
                   -1 :               0.00001701598109
                   +0 :              -0.00002771357869
                   +1 :               0.00001024451303
                3d
                   -2 :              -0.00000407925990
                   -1 :               0.00000156046874
                   +0 :               0.00000124075847
                   +1 :               0.00000100255776
                   +2 :              -0.00000242054253
             15 vec=    -2.803193      4.854973     16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00001168899086
                2s
                   +0 :              -0.00011054514120
                3s
                   +0 :               0.00001777949209
                2p
                   -1 :              -0.00008401285920
                   +0 :              -0.00000964801476
                   +1 :              -0.00012563288464
                3p
                   -1 :               0.00003699011700
                   +0 :              -0.00007707390449
                   +1 :               0.00004608790571
                3d
                   -2 :              -0.00000416279490
                   -1 :              -0.00000223869067
                   +0 :              -0.00000709518006
                   +1 :              -0.00000282450819
                   +2 :               0.00000381615585
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 26)  npairs=  14
              1 vec=     0.209805      0.363094     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00046741360938
                2s
                   +0 :              -0.00264398499758
                3s
                   +0 :               0.00128790182136
                2p
                   -1 :               0.00122274186952
                   +0 :               0.00098370491579
                   +1 :              -0.00035708441905
                3p
                   -1 :              -0.00114167537347
                   +0 :              -0.00034740051599
                   +1 :              -0.00057644043133
                3d
                   -2 :               0.00008829347789
                   -1 :               0.00003512284473
                   +0 :              -0.00021467361109
                   +1 :               0.00004608398049
                   +2 :               0.00009825355228
              2 vec=    -7.570358     -4.128785     -8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00008136314129
                2s
                   +0 :              -0.00101791867389
                3s
                   +0 :               0.00018835303254
                2p
                   -1 :              -0.00050510922396
                   +0 :               0.00022304506385
                   +1 :               0.00032895536014
                3p
                   -1 :               0.00045458171981
                   +0 :               0.00022376751434
                   +1 :              -0.00020821050019
                3d
                   -2 :              -0.00000898069573
                   -1 :              -0.00002590372667
                   +0 :              -0.00001021320696
                   +1 :              -0.00000359447445
                   +2 :               0.00006560196488
              3 vec=     0.209805     -8.620664     -8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00018475587205
                2s
                   +0 :              -0.00169851179829
                3s
                   +0 :               0.00025645078728
                2p
                   -1 :              -0.00021653738102
                   +0 :               0.00083860414390
                   +1 :               0.00055505207159
                3p
                   -1 :               0.00031770224699
                   +0 :               0.00001327843603
                   +1 :              -0.00017342727400
                3d
                   -2 :               0.00000423885452
                   -1 :              -0.00004409996421
                   +0 :              -0.00007194243185
                   +1 :               0.00003683911252
                   +2 :               0.00006780545028
              4 vec=    -7.570358      4.854973     -8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00018219835775
                2s
                   +0 :               0.00079123279769
                3s
                   +0 :              -0.00062096379208
                2p
                   -1 :              -0.00125806214107
                   +0 :               0.00004489509856
                   +1 :              -0.00180373105316
                3p
                   -1 :               0.00101961239893
                   +0 :               0.00010350133994
                   +1 :               0.00158057178765
                3d
                   -2 :              -0.00002806396459
                   -1 :              -0.00005269386087
                   +0 :              -0.00005510020828
                   +1 :              -0.00014549748380
                   +2 :              -0.00003740583581
              5 vec=     7.989968     -4.128785     -8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00012923376766
                2s
                   +0 :               0.00127939169683
                3s
                   +0 :              -0.00028495039475
                2p
                   -1 :              -0.00013001767882
                   +0 :              -0.00024160762929
                   +1 :               0.00060947365465
                3p
                   -1 :              -0.00001983368818
                   +0 :              -0.00022003387597
                   +1 :              -0.00032694440868
                3d
                   -2 :               0.00001702163842
                   -1 :              -0.00000342344102
                   +0 :               0.00006470055657
                   +1 :               0.00003492691532
                   +2 :              -0.00005237699064
              6 vec=     0.209805      9.346852     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00003591280433
                2s
                   +0 :              -0.00019588406849
                3s
                   +0 :               0.00008945766388
                2p
                   -1 :               0.00040027490990
                   +0 :               0.00063905555738
                   +1 :              -0.00095009070877
                3p
                   -1 :              -0.00032973853708
                   +0 :              -0.00058481578525
                   +1 :               0.00065054518972
                3d
                   -2 :               0.00004051774336
                   -1 :              -0.00001172630380
                   +0 :               0.00000185123343
                   +1 :              -0.00001125535592
                   +2 :               0.00002445615640
              7 vec=     7.989968      4.854973     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00001804416359
                2s
                   +0 :               0.00042111644318
                3s
                   +0 :              -0.00004377646302
                2p
                   -1 :               0.00044247935049
                   +0 :              -0.00116705986783
                   +1 :               0.00119324837006
                3p
                   -1 :              -0.00036951237985
                   +0 :               0.00083181899623
                   +1 :              -0.00097953999579
                3d
                   -2 :              -0.00002973029205
                   -1 :               0.00002197439494
                   +0 :              -0.00000514666413
                   +1 :               0.00003776526213
                   +2 :              -0.00003354333721
              8 vec=     0.209805      0.363094     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001323545520
                2s
                   +0 :              -0.00007027825324
                3s
                   +0 :               0.00004734631164
                2p
                   -1 :               0.00008528859789
                   +0 :              -0.00000721933088
                   +1 :               0.00005435144727
                3p
                   -1 :              -0.00005703312737
                   +0 :               0.00002514765205
                   +1 :              -0.00006622039663
                3d
                   -2 :               0.00000486505002
                   -1 :              -0.00000619445451
                   +0 :               0.00000078876208
                   +1 :              -0.00000700578258
                   +2 :              -0.00000177371940
              9 vec=    -7.570358    -13.112543     -8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00002701943753
                2s
                   +0 :              -0.00023397941200
                3s
                   +0 :               0.00007077714990
                2p
                   -1 :               0.00003379986635
                   +0 :              -0.00002198613071
                   +1 :               0.00007305848752
                3p
                   -1 :               0.00003065554375
                   +0 :               0.00003844770543
                   +1 :              -0.00003765665175
                3d
                   -2 :              -0.00000319104681
                   -1 :              -0.00001098870350
                   +0 :              -0.00000292528741
                   +1 :               0.00000022273148
                   +2 :               0.00000670260070
             10 vec=   -15.350520      0.363094     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00002302148958
                2s
                   +0 :              -0.00011593685740
                3s
                   +0 :               0.00008248791900
                2p
                   -1 :               0.00006366824318
                   +0 :               0.00009741907927
                   +1 :               0.00025228275927
                3p
                   -1 :              -0.00009237821043
                   +0 :              -0.00005648064325
                   +1 :              -0.00019415781129
                3d
                   -2 :               0.00000817871411
                   -1 :               0.00000560223459
                   +0 :               0.00000309173694
                   +1 :               0.00000530084091
                   +2 :               0.00000511535240
             11 vec=     7.989968    -13.112543     -8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00000895547184
                2s
                   +0 :              -0.00005678256476
                3s
                   +0 :               0.00002691055318
                2p
                   -1 :               0.00002676672838
                   +0 :              -0.00005260652121
                   +1 :              -0.00004400601221
                3p
                   -1 :              -0.00005251486691
                   +0 :               0.00000278083621
                   +1 :               0.00000016351720
                3d
                   -2 :              -0.00000690121873
                   -1 :               0.00000562738775
                   +0 :               0.00000021414414
                   +1 :              -0.00000090604701
                   +2 :              -0.00000590504545
             12 vec=    -7.570358     13.838731     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000832469617
                2s
                   +0 :              -0.00002863352592
                3s
                   +0 :               0.00001126242013
                2p
                   -1 :              -0.00001435552982
                   +0 :              -0.00008011760500
                   +1 :              -0.00011650824807
                3p
                   -1 :               0.00001150052095
                   +0 :               0.00009107645947
                   +1 :               0.00010189876925
                3d
                   -2 :               0.00000570727448
                   -1 :               0.00000609879434
                   +0 :              -0.00000539143972
                   +1 :              -0.00000345476261
                   +2 :               0.00000130284838
             13 vec=    15.770130      0.363094     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00001033754486
                2s
                   +0 :               0.00008308014480
                3s
                   +0 :              -0.00001221207899
                2p
                   -1 :              -0.00002370770477
                   +0 :               0.00000453178789
                   +1 :              -0.00001556486315
                3p
                   -1 :               0.00007761230552
                   +0 :              -0.00005591400338
                   +1 :               0.00006342485858
                3d
                   -2 :               0.00000459741387
                   -1 :              -0.00000648078617
                   +0 :               0.00000545242345
                   +1 :              -0.00000521274886
                   +2 :               0.00000682478719
             14 vec=     7.989968     13.838731     -8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00001374892351
                2s
                   +0 :               0.00011151175983
                3s
                   +0 :              -0.00004030020317
                2p
                   -1 :               0.00004594149994
                   +0 :              -0.00004916472707
                   +1 :               0.00008008548581
                3p
                   -1 :              -0.00002946520771
                   +0 :               0.00003118441191
                   +1 :              -0.00005728482865
                3d
                   -2 :              -0.00000507462144
                   -1 :               0.00000269513585
                   +0 :               0.00000146502946
                   +1 :               0.00000319262537
                   +2 :               0.00000328257820
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 27)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00022868922389
                2s
                   +0 :              -0.00145232294433
                3s
                   +0 :               0.00065198791470
                2p
                   -1 :              -0.00322957830809
                   +0 :               0.00030803653669
                   +1 :              -0.00202421227956
                3p
                   -1 :               0.00233264475462
                   +0 :               0.00060064202664
                   +1 :               0.00104687280930
                3d
                   -2 :               0.00006506839752
                   -1 :              -0.00008825642255
                   +0 :              -0.00011273115313
                   +1 :              -0.00002103990682
                   +2 :              -0.00017257792117
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00006219152144
                2s
                   +0 :               0.00030814516916
                3s
                   +0 :              -0.00037903918466
                2p
                   -1 :              -0.00110725579206
                   +0 :               0.00236159827339
                   +1 :               0.00180343033282
                3p
                   -1 :               0.00032293319090
                   +0 :              -0.00054017891315
                   +1 :              -0.00056377554857
                3d
                   -2 :              -0.00006627965645
                   -1 :               0.00010039849444
                   +0 :               0.00002065705834
                   +1 :              -0.00006119055315
                   +2 :              -0.00000965482355
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00022376305401
                2s
                   +0 :               0.00183069784884
                3s
                   +0 :              -0.00039456918279
                2p
                   -1 :              -0.00144147080655
                   +0 :              -0.00179692356960
                   +1 :              -0.00173189759177
                3p
                   -1 :              -0.00024131994388
                   +0 :               0.00020698146333
                   +1 :               0.00116078462749
                3d
                   -2 :               0.00004516083343
                   -1 :               0.00009163698885
                   +0 :               0.00008512580784
                   +1 :              -0.00010650337489
                   +2 :               0.00004679160307
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00003495303642
                2s
                   +0 :               0.00005604492212
                3s
                   +0 :              -0.00008795366536
                2p
                   -1 :               0.00012516088921
                   +0 :               0.00037562448860
                   +1 :               0.00091186628287
                3p
                   -1 :              -0.00007343517067
                   +0 :              -0.00021082513684
                   +1 :              -0.00077455523966
                3d
                   -2 :              -0.00006945631812
                   -1 :               0.00001555370872
                   +0 :               0.00004760549532
                   +1 :               0.00004400983779
                   +2 :               0.00003203774925
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00002163236212
                2s
                   +0 :               0.00031589552437
                3s
                   +0 :              -0.00006252448028
                2p
                   -1 :              -0.00007680405310
                   +0 :               0.00008665158547
                   +1 :               0.00010955228929
                3p
                   -1 :               0.00013405970012
                   +0 :              -0.00006116691481
                   +1 :              -0.00013955846995
                3d
                   -2 :               0.00001370040343
                   -1 :              -0.00001334261387
                   +0 :               0.00001229380124
                   +1 :              -0.00000810721778
                   +2 :              -0.00000895389885
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00006683751330
                2s
                   +0 :              -0.00064643896438
                3s
                   +0 :              -0.00000965756557
                2p
                   -1 :              -0.00006747852757
                   +0 :              -0.00015231450815
                   +1 :               0.00032375153864
                3p
                   -1 :               0.00029331795950
                   +0 :               0.00019946072140
                   +1 :              -0.00030704142904
                3d
                   -2 :              -0.00002390515393
                   -1 :              -0.00003631219452
                   +0 :              -0.00005280108133
                   +1 :              -0.00001714252811
                   +2 :               0.00003268619488
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001919300401
                2s
                   +0 :               0.00019642445951
                3s
                   +0 :              -0.00006589662709
                2p
                   -1 :               0.00008965226650
                   +0 :              -0.00006110099327
                   +1 :              -0.00001279154542
                3p
                   -1 :              -0.00006012445688
                   +0 :               0.00000513741279
                   +1 :              -0.00000744318888
                3d
                   -2 :              -0.00000167510030
                   -1 :              -0.00000753194902
                   +0 :               0.00000246794057
                   +1 :              -0.00000042751571
                   +2 :               0.00000500055274
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00001324577514
                2s
                   +0 :              -0.00001276417581
                3s
                   +0 :               0.00006614159432
                2p
                   -1 :              -0.00027815797624
                   +0 :              -0.00023104364559
                   +1 :               0.00000655069713
                3p
                   -1 :               0.00027128647612
                   +0 :               0.00012150989924
                   +1 :               0.00004533331342
                3d
                   -2 :               0.00000670192838
                   -1 :               0.00001071246252
                   +0 :               0.00000641518653
                   +1 :              -0.00000552354027
                   +2 :              -0.00002035852697
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002391187632
                2s
                   +0 :              -0.00013103201438
                3s
                   +0 :               0.00010964932562
                2p
                   -1 :              -0.00003933326834
                   +0 :               0.00014957235380
                   +1 :               0.00042043501821
                3p
                   -1 :               0.00005826720634
                   +0 :              -0.00019889795515
                   +1 :              -0.00022615598124
                3d
                   -2 :               0.00000073840975
                   -1 :              -0.00000020584584
                   +0 :               0.00001422693484
                   +1 :               0.00001393659813
                   +2 :               0.00002280877716
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00002773105839
                2s
                   +0 :              -0.00019987576704
                3s
                   +0 :               0.00003977336127
                2p
                   -1 :               0.00019755355278
                   +0 :               0.00000987108606
                   +1 :               0.00009467096582
                3p
                   -1 :              -0.00010397416761
                   +0 :               0.00006138093197
                   +1 :              -0.00004358950510
                3d
                   -2 :               0.00000283230680
                   -1 :               0.00000408715516
                   +0 :              -0.00000982974633
                   +1 :              -0.00000063732563
                   +2 :              -0.00000130524144
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000466010401
                2s
                   +0 :               0.00006013917566
                3s
                   +0 :              -0.00000731291722
                2p
                   -1 :              -0.00014633938155
                   +0 :              -0.00017672378977
                   +1 :              -0.00002518160671
                3p
                   -1 :               0.00007902929453
                   +0 :               0.00012433447267
                   +1 :               0.00002268613156
                3d
                   -2 :              -0.00000545349107
                   -1 :               0.00000281433952
                   +0 :              -0.00000148771026
                   +1 :               0.00000005606720
                   +2 :               0.00000053070259
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000677518955
                2s
                   +0 :              -0.00013363711504
                3s
                   +0 :              -0.00000229992021
                2p
                   -1 :               0.00014950878717
                   +0 :              -0.00011704708721
                   +1 :              -0.00015056795772
                3p
                   -1 :              -0.00010986239255
                   +0 :               0.00009577112510
                   +1 :               0.00011994521494
                3d
                   -2 :              -0.00000760277413
                   -1 :              -0.00000066256715
                   +0 :              -0.00001497976808
                   +1 :              -0.00001240927131
                   +2 :              -0.00001491513377
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001358626167
                2s
                   +0 :              -0.00005695599651
                3s
                   +0 :               0.00004498974565
                2p
                   -1 :               0.00002343895205
                   +0 :              -0.00001444832120
                   +1 :              -0.00011477280722
                3p
                   -1 :              -0.00000272604121
                   +0 :               0.00005971555743
                   +1 :               0.00006677573862
                3d
                   -2 :               0.00000176043561
                   -1 :               0.00000354509732
                   +0 :              -0.00000123392311
                   +1 :               0.00000043011011
                   +2 :              -0.00000476045263
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001042535128
                2s
                   +0 :              -0.00006550478815
                3s
                   +0 :               0.00003145656568
                2p
                   -1 :               0.00006507790057
                   +0 :              -0.00003911092801
                   +1 :              -0.00003881566500
                3p
                   -1 :              -0.00001958116593
                   +0 :               0.00002821201608
                   +1 :               0.00001490660140
                3d
                   -2 :              -0.00000380423635
                   -1 :               0.00000319072758
                   +0 :               0.00000220362676
                   +1 :               0.00000176203969
                   +2 :              -0.00000194297879
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00002104216984
                2s
                   +0 :              -0.00017049575657
                3s
                   +0 :               0.00006311429967
                2p
                   -1 :              -0.00012036791182
                   +0 :              -0.00010012934076
                   +1 :              -0.00006238380652
                3p
                   -1 :               0.00008807312160
                   +0 :               0.00003049899587
                   +1 :               0.00001341234988
                3d
                   -2 :              -0.00000458776195
                   -1 :               0.00000413010214
                   +0 :              -0.00000751619295
                   +1 :              -0.00000442625590
                   +2 :              -0.00000533670015
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 28)  npairs=  14
              1 vec=     0.209286      3.115717      4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00170343858466
                2s
                   +0 :              -0.00711259858308
                3s
                   +0 :               0.00493126188310
                2p
                   -1 :              -0.00874715787433
                   +0 :               0.00024520046292
                   +1 :              -0.00433222790976
                3p
                   -1 :               0.00746089844707
                   +0 :               0.00138114675554
                   +1 :              -0.00405673716154
                3d
                   -2 :              -0.00094178296538
                   -1 :               0.00068395882652
                   +0 :               0.00040122469858
                   +1 :              -0.00172403802193
                   +2 :              -0.00020745146800
              2 vec=     0.209286     -5.868041      4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00049827657684
                2s
                   +0 :              -0.00375296849807
                3s
                   +0 :               0.00166945275158
                2p
                   -1 :               0.00226331556983
                   +0 :              -0.00124874842396
                   +1 :               0.00537678581244
                3p
                   -1 :              -0.00130889789628
                   +0 :               0.00091524717802
                   +1 :              -0.00529714961591
                3d
                   -2 :               0.00012263409210
                   -1 :              -0.00001547892795
                   +0 :               0.00001345692860
                   +1 :               0.00008028203801
                   +2 :              -0.00012797927301
              3 vec=    -7.570876     -1.376162      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00004633414356
                2s
                   +0 :               0.00079623982961
                3s
                   +0 :              -0.00056374803783
                2p
                   -1 :              -0.00038690022911
                   +0 :               0.00004369029041
                   +1 :               0.00224749149405
                3p
                   -1 :               0.00064216573372
                   +0 :              -0.00022050173921
                   +1 :              -0.00133691762506
                3d
                   -2 :              -0.00004312414127
                   -1 :               0.00001681803390
                   +0 :              -0.00005330172912
                   +1 :               0.00000296671120
                   +2 :               0.00013795391879
              4 vec=     7.989449     -1.376162      4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00025735743782
                2s
                   +0 :               0.00145786518160
                3s
                   +0 :              -0.00043775130090
                2p
                   -1 :              -0.00157867934026
                   +0 :               0.00404131501751
                   +1 :              -0.00086454367811
                3p
                   -1 :               0.00059952378984
                   +0 :              -0.00231547352765
                   +1 :               0.00078625335747
                3d
                   -2 :               0.00004380979153
                   -1 :               0.00004017345346
                   +0 :               0.00004489736070
                   +1 :              -0.00002138137434
                   +2 :              -0.00003088737977
              5 vec=    -7.570876      7.607596      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00002526149804
                2s
                   +0 :              -0.00055810338993
                3s
                   +0 :               0.00005803600670
                2p
                   -1 :              -0.00068465952399
                   +0 :               0.00010705786646
                   +1 :               0.00040262634365
                3p
                   -1 :               0.00029403922396
                   +0 :              -0.00024797751068
                   +1 :              -0.00033652911411
                3d
                   -2 :              -0.00002442745841
                   -1 :              -0.00011025182948
                   +0 :              -0.00006619233809
                   +1 :               0.00001311249981
                   +2 :               0.00004263945609
              6 vec=     7.989449      7.607596      4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00003292744426
                2s
                   +0 :               0.00044785645901
                3s
                   +0 :              -0.00007069439635
                2p
                   -1 :              -0.00060609113642
                   +0 :               0.00094605268647
                   +1 :              -0.00007507808579
                3p
                   -1 :               0.00063296225490
                   +0 :              -0.00064981648322
                   +1 :              -0.00002709702407
                3d
                   -2 :               0.00005574155344
                   -1 :              -0.00003671823762
                   +0 :               0.00010491171364
                   +1 :              -0.00004194677124
                   +2 :              -0.00004680145521
              7 vec=     0.209286     12.099475      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00002223237570
                2s
                   +0 :              -0.00017301884646
                3s
                   +0 :               0.00002934010679
                2p
                   -1 :              -0.00008995260053
                   +0 :              -0.00062126511321
                   +1 :               0.00044430902245
                3p
                   -1 :               0.00001853656649
                   +0 :               0.00045881632699
                   +1 :              -0.00031708169651
                3d
                   -2 :              -0.00000088239559
                   -1 :               0.00000915896317
                   +0 :               0.00002652078286
                   +1 :               0.00000423197031
                   +2 :               0.00003717306250
              8 vec=    -7.570876    -10.359920      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00006612069043
                2s
                   +0 :              -0.00071246763214
                3s
                   +0 :               0.00012436754491
                2p
                   -1 :               0.00034048829752
                   +0 :              -0.00040250985071
                   +1 :               0.00007319989587
                3p
                   -1 :              -0.00012310265479
                   +0 :               0.00016940781990
                   +1 :               0.00006343999856
                3d
                   -2 :              -0.00004003313539
                   -1 :               0.00000391046982
                   +0 :              -0.00002152588432
                   +1 :              -0.00002316837317
                   +2 :              -0.00000851706350
              9 vec=     7.989449    -10.359920      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00003700264374
                2s
                   +0 :               0.00000760703033
                3s
                   +0 :               0.00014566838997
                2p
                   -1 :               0.00023171544042
                   +0 :              -0.00005040511462
                   +1 :              -0.00014962127720
                3p
                   -1 :              -0.00030247268946
                   +0 :               0.00012629339516
                   +1 :               0.00021623784185
                3d
                   -2 :              -0.00002979589371
                   -1 :              -0.00000265863378
                   +0 :               0.00000168810937
                   +1 :               0.00001028569777
                   +2 :              -0.00000748264830
             10 vec=     0.209286    -14.851799      4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00000225515704
                2s
                   +0 :              -0.00005330597128
                3s
                   +0 :               0.00001858331604
                2p
                   -1 :              -0.00011518075657
                   +0 :               0.00002821527161
                   +1 :              -0.00001239930565
                3p
                   -1 :               0.00009542505992
                   +0 :              -0.00006342752205
                   +1 :              -0.00001827848419
                3d
                   -2 :              -0.00000266110181
                   -1 :               0.00000064179807
                   +0 :               0.00000467112179
                   +1 :               0.00000904279419
                   +2 :               0.00000796059815
             11 vec=   -15.351039      3.115717      4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000462776736
                2s
                   +0 :              -0.00004084125851
                3s
                   +0 :              -0.00002507250090
                2p
                   -1 :              -0.00010700853510
                   +0 :               0.00003073070411
                   +1 :               0.00007082792567
                3p
                   -1 :               0.00004127746737
                   +0 :              -0.00003331132013
                   +1 :               0.00004552852097
                3d
                   -2 :              -0.00000553965788
                   -1 :              -0.00000551333440
                   +0 :               0.00001096672024
                   +1 :              -0.00000830020033
                   +2 :              -0.00000160150048
             12 vec=    15.769612      3.115717      4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00004088028946
                2s
                   +0 :               0.00029344979115
                3s
                   +0 :              -0.00008855164470
                2p
                   -1 :               0.00012327181576
                   +0 :              -0.00016468071429
                   +1 :               0.00013576612731
                3p
                   -1 :              -0.00006455023616
                   +0 :               0.00019198607025
                   +1 :               0.00001109329379
                3d
                   -2 :               0.00000616610231
                   -1 :               0.00000640170811
                   +0 :              -0.00000489764359
                   +1 :               0.00001035254586
                   +2 :               0.00000059252216
             13 vec=   -15.351039     -5.868041      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00002352811471
                2s
                   +0 :              -0.00015295352407
                3s
                   +0 :               0.00005935775498
                2p
                   -1 :              -0.00000789993155
                   +0 :              -0.00003746356860
                   +1 :               0.00012075285288
                3p
                   -1 :               0.00003750563911
                   +0 :               0.00002333389227
                   +1 :              -0.00006244730268
                3d
                   -2 :              -0.00001063724242
                   -1 :               0.00000161813004
                   +0 :              -0.00000624349482
                   +1 :              -0.00000341650262
                   +2 :              -0.00000171701387
             14 vec=    15.769612     -5.868041      4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00002961938908
                2s
                   +0 :               0.00020944667021
                3s
                   +0 :              -0.00007275036619
                2p
                   -1 :               0.00004197219038
                   +0 :               0.00000863127328
                   +1 :               0.00000162490954
                3p
                   -1 :              -0.00006344406093
                   +0 :               0.00001356467080
                   +1 :               0.00006219756442
                3d
                   -2 :               0.00000000650189
                   -1 :               0.00000079240965
                   +0 :               0.00000193912551
                   +1 :               0.00000161408890
                   +2 :               0.00001080589574
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 29)  npairs=  14
              1 vec=    -2.802674     -1.376162      4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00291894446568
                2s
                   +0 :              -0.04638670650737
                3s
                   +0 :               0.00522031024692
                2p
                   -1 :               0.00819456751918
                   +0 :              -0.02025257980920
                   +1 :               0.00929586586761
                3p
                   -1 :               0.00077149326048
                   +0 :              -0.00222422496134
                   +1 :               0.00135768427873
                3d
                   -2 :              -0.00063682003586
                   -1 :               0.00206939557084
                   +0 :              -0.00170855121933
                   +1 :               0.00108981792810
                   +2 :               0.00011766055418
              2 vec=     4.977489      3.115717      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00113497237320
                2s
                   +0 :               0.00919069182370
                3s
                   +0 :              -0.00491237644837
                2p
                   -1 :               0.00461517037985
                   +0 :               0.01077845467717
                   +1 :               0.00967828403095
                3p
                   -1 :              -0.00377509933270
                   +0 :              -0.00748658495240
                   +1 :              -0.00746002847907
                3d
                   -2 :              -0.00034296496605
                   -1 :              -0.00049116791097
                   +0 :              -0.00043937544028
                   +1 :              -0.00108752999540
                   +2 :              -0.00018884794163
              3 vec=     4.977489     -5.868041      4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00005814632601
                2s
                   +0 :              -0.00069475035404
                3s
                   +0 :               0.00034221956914
                2p
                   -1 :              -0.00207225435478
                   +0 :               0.00102877040449
                   +1 :               0.00003118429004
                3p
                   -1 :               0.00168242954219
                   +0 :              -0.00039863477818
                   +1 :               0.00026384847932
                3d
                   -2 :               0.00017360303722
                   -1 :               0.00009144741052
                   +0 :              -0.00000121308590
                   +1 :              -0.00008670143317
                   +2 :               0.00004753586034
              4 vec=    -2.802674      7.607596      4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00032371279901
                2s
                   +0 :              -0.00199683069293
                3s
                   +0 :               0.00070274178704
                2p
                   -1 :               0.00050298934632
                   +0 :              -0.00171187908589
                   +1 :              -0.00076082897417
                3p
                   -1 :              -0.00039963949933
                   +0 :               0.00014946603939
                   +1 :               0.00028441595386
                3d
                   -2 :               0.00010683737133
                   -1 :              -0.00025780492903
                   +0 :              -0.00001577295158
                   +1 :               0.00005931740957
                   +2 :               0.00011418058192
              5 vec=    -2.802674    -10.359920      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00003353503743
                2s
                   +0 :              -0.00018613746725
                3s
                   +0 :              -0.00006413783090
                2p
                   -1 :               0.00013837548323
                   +0 :               0.00017348592261
                   +1 :              -0.00043342154565
                3p
                   -1 :               0.00022956042135
                   +0 :              -0.00028952834409
                   +1 :               0.00034185539520
                3d
                   -2 :              -0.00003244006352
                   -1 :               0.00005899603029
                   +0 :               0.00007718832148
                   +1 :              -0.00002376893282
                   +2 :               0.00004928862783
              6 vec=   -10.582837      3.115717      4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00004545439668
                2s
                   +0 :              -0.00052187071230
                3s
                   +0 :              -0.00001439124972
                2p
                   -1 :              -0.00044368284014
                   +0 :              -0.00075199334435
                   +1 :               0.00088127782574
                3p
                   -1 :               0.00023701373960
                   +0 :               0.00057236119480
                   +1 :              -0.00047575783864
                3d
                   -2 :               0.00001825416560
                   -1 :              -0.00001728434879
                   +0 :               0.00006688100943
                   +1 :              -0.00000071813656
                   +2 :              -0.00003891306187
              7 vec=   -10.582837     -5.868041      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00003431970629
                2s
                   +0 :              -0.00045891681403
                3s
                   +0 :               0.00007607266280
                2p
                   -1 :              -0.00011035862650
                   +0 :               0.00015736052500
                   +1 :              -0.00024315872263
                3p
                   -1 :               0.00015072439331
                   +0 :              -0.00021341832285
                   +1 :               0.00023802915015
                3d
                   -2 :              -0.00001796979303
                   -1 :              -0.00000189865241
                   +0 :              -0.00000660477228
                   +1 :               0.00002029102541
                   +2 :              -0.00000010179591
              8 vec=    12.757651     -1.376162      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00004628900170
                2s
                   +0 :               0.00065957090414
                3s
                   +0 :               0.00001234908414
                2p
                   -1 :               0.00022288633122
                   +0 :               0.00013967103073
                   +1 :              -0.00006566520986
                3p
                   -1 :              -0.00030746126820
                   +0 :               0.00015868072447
                   +1 :               0.00016264693144
                3d
                   -2 :              -0.00003985407225
                   -1 :              -0.00002490847641
                   +0 :               0.00002949276057
                   +1 :               0.00000942683258
                   +2 :              -0.00000512692685
              9 vec=     4.977489     12.099475      4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00015872902376
                2s
                   +0 :              -0.00084992047382
                3s
                   +0 :               0.00051501232867
                2p
                   -1 :               0.00020585742404
                   +0 :              -0.00016327738547
                   +1 :              -0.00003468210537
                3p
                   -1 :              -0.00022914902586
                   +0 :               0.00014709033520
                   +1 :              -0.00005954882794
                3d
                   -2 :              -0.00000035337977
                   -1 :              -0.00001944267405
                   +0 :               0.00001644472803
                   +1 :              -0.00000344867397
                   +2 :               0.00002863187627
             10 vec=    12.757651      7.607596      4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00000270580196
                2s
                   +0 :               0.00001646269966
                3s
                   +0 :               0.00010669964288
                2p
                   -1 :               0.00007956944458
                   +0 :               0.00006826124116
                   +1 :              -0.00001964835038
                3p
                   -1 :              -0.00001064500007
                   +0 :              -0.00001699830768
                   +1 :               0.00009984230326
                3d
                   -2 :              -0.00000007389982
                   -1 :              -0.00001010723024
                   +0 :               0.00001470515341
                   +1 :              -0.00000358611738
                   +2 :               0.00001105399130
             11 vec=     4.977489    -14.851799      4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00002620855879
                2s
                   +0 :               0.00016106827558
                3s
                   +0 :              -0.00007631803072
                2p
                   -1 :              -0.00028923723367
                   +0 :              -0.00011948509296
                   +1 :               0.00000135645693
                3p
                   -1 :               0.00020263649526
                   +0 :               0.00011371854980
                   +1 :              -0.00002503265812
                3d
                   -2 :               0.00000917991272
                   -1 :              -0.00000611870625
                   +0 :               0.00000511608892
                   +1 :               0.00000508813745
                   +2 :               0.00001509553195
             12 vec=   -10.582837     12.099475      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00000974798166
                2s
                   +0 :              -0.00013382409056
                3s
                   +0 :               0.00002496540797
                2p
                   -1 :              -0.00001032855104
                   +0 :               0.00002514161323
                   +1 :              -0.00005487679155
                3p
                   -1 :              -0.00007269095343
                   +0 :              -0.00003292767394
                   +1 :               0.00009491057947
                3d
                   -2 :               0.00000782548649
                   -1 :               0.00000434103396
                   +0 :               0.00000537342813
                   +1 :              -0.00000742755687
                   +2 :               0.00001101621330
             13 vec=    12.757651    -10.359920      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000356963954
                2s
                   +0 :               0.00000194103733
                3s
                   +0 :               0.00000585007393
                2p
                   -1 :              -0.00003088620415
                   +0 :              -0.00006906426129
                   +1 :              -0.00006985542787
                3p
                   -1 :              -0.00000344572595
                   +0 :               0.00004101672658
                   +1 :               0.00007855381892
                3d
                   -2 :              -0.00000975691375
                   -1 :               0.00000134186540
                   +0 :               0.00000028283734
                   +1 :              -0.00000132849231
                   +2 :              -0.00000545136190
             14 vec=    -2.802674     16.591354      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000786731140
                2s
                   +0 :               0.00003229122782
                3s
                   +0 :              -0.00003144267781
                2p
                   -1 :               0.00000463782083
                   +0 :               0.00001632122043
                   +1 :               0.00002046002722
                3p
                   -1 :              -0.00002433017677
                   +0 :               0.00001478783694
                   +1 :              -0.00001864592364
                3d
                   -2 :              -0.00000267837137
                   -1 :               0.00000134089631
                   +0 :               0.00000408976842
                   +1 :               0.00000100905318
                   +2 :              -0.00000038333321
WF             site_B          number of pairs
WF( 14)=[O_3_2px]  to site O ( 30)  npairs=  14
              1 vec=     2.593388     -1.013667      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00188506401713
                2s
                   +0 :               0.05012497206777
                3s
                   +0 :              -0.00397096395178
                2p
                   -1 :              -0.00569557292548
                   +0 :               0.03257927632339
                   +1 :               0.00913677710933
                3p
                   -1 :              -0.00260329440387
                   +0 :              -0.00389859972685
                   +1 :              -0.00382825724886
                3d
                   -2 :              -0.00080231916794
                   -1 :              -0.00122953205569
                   +0 :               0.00186286819087
                   +1 :              -0.00003946843834
                   +2 :              -0.00012843230346
              2 vec=    -5.186775      3.478212      4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00016556360335
                2s
                   +0 :              -0.00142392149889
                3s
                   +0 :               0.00063666853575
                2p
                   -1 :               0.00015477662441
                   +0 :               0.00246569283938
                   +1 :               0.00477796739662
                3p
                   -1 :              -0.00146070014370
                   +0 :              -0.00354154220837
                   +1 :              -0.00305432380333
                3d
                   -2 :              -0.00025230354615
                   -1 :               0.00019516630599
                   +0 :              -0.00034473245327
                   +1 :              -0.00025055440317
                   +2 :               0.00008101013303
              3 vec=    -5.186775     -5.505546      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00002396470522
                2s
                   +0 :               0.00094827777790
                3s
                   +0 :              -0.00058176822271
                2p
                   -1 :               0.00128900674818
                   +0 :               0.00479966096363
                   +1 :               0.00005458440717
                3p
                   -1 :              -0.00015171595461
                   +0 :              -0.00316361182700
                   +1 :               0.00020902415634
                3d
                   -2 :              -0.00003837681763
                   -1 :               0.00014692425509
                   +0 :              -0.00001511441081
                   +1 :               0.00008010249153
                   +2 :              -0.00002451854839
              4 vec=     2.593388      7.970091      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00046480106913
                2s
                   +0 :               0.00279263888140
                3s
                   +0 :              -0.00127821264314
                2p
                   -1 :               0.00224021091556
                   +0 :               0.00113642977006
                   +1 :              -0.00122111303640
                3p
                   -1 :              -0.00198479420631
                   +0 :               0.00027441874525
                   +1 :               0.00091783576357
                3d
                   -2 :              -0.00003807017442
                   -1 :               0.00001546422199
                   +0 :               0.00015475822557
                   +1 :              -0.00005111941620
                   +2 :               0.00019865187494
              5 vec=     2.593388     -9.997425      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00014663034034
                2s
                   +0 :              -0.00081432878669
                3s
                   +0 :               0.00056824645051
                2p
                   -1 :               0.00109544281091
                   +0 :               0.00001195320220
                   +1 :              -0.00060961944891
                3p
                   -1 :              -0.00118894444094
                   +0 :               0.00019024685640
                   +1 :               0.00038316204269
                3d
                   -2 :              -0.00003306726322
                   -1 :               0.00001408672370
                   +0 :              -0.00007876389206
                   +1 :              -0.00001383177319
                   +2 :              -0.00008759677052
              6 vec=    10.373550      3.478212      4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00005494021594
                2s
                   +0 :               0.00005101446556
                3s
                   +0 :               0.00017801931336
                2p
                   -1 :              -0.00063392420946
                   +0 :              -0.00026323433167
                   +1 :               0.00012561724344
                3p
                   -1 :               0.00082501458453
                   +0 :               0.00030657557866
                   +1 :               0.00017956791102
                3d
                   -2 :               0.00005624027134
                   -1 :              -0.00005402851219
                   +0 :              -0.00008254237110
                   +1 :               0.00003096059632
                   +2 :               0.00008484533249
              7 vec=    10.373550     -5.505546      4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00003176273172
                2s
                   +0 :               0.00060481428959
                3s
                   +0 :              -0.00007645200876
                2p
                   -1 :              -0.00063758286137
                   +0 :               0.00041719055432
                   +1 :               0.00063732203465
                3p
                   -1 :               0.00050896941369
                   +0 :              -0.00048494820239
                   +1 :              -0.00044226665924
                3d
                   -2 :               0.00001699620380
                   -1 :               0.00003533405419
                   +0 :              -0.00001528263663
                   +1 :              -0.00007688652426
                   +2 :               0.00002057932699
              8 vec=   -12.966938     -1.013667      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00001941065978
                2s
                   +0 :              -0.00057703630294
                3s
                   +0 :              -0.00009744473018
                2p
                   -1 :               0.00011094349773
                   +0 :              -0.00047071586614
                   +1 :              -0.00007428823964
                3p
                   -1 :               0.00003862887452
                   +0 :               0.00003041619881
                   +1 :               0.00034412090473
                3d
                   -2 :              -0.00000349715980
                   -1 :               0.00000208907107
                   +0 :               0.00001282813709
                   +1 :               0.00002099388444
                   +2 :              -0.00003565159684
              9 vec=    -5.186775     12.461970      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00003057813772
                2s
                   +0 :              -0.00032259596651
                3s
                   +0 :               0.00006430587390
                2p
                   -1 :              -0.00034244673203
                   +0 :              -0.00018780463655
                   +1 :              -0.00013962164477
                3p
                   -1 :               0.00027831226114
                   +0 :               0.00005211878065
                   +1 :               0.00002097603238
                3d
                   -2 :              -0.00002063278277
                   -1 :               0.00000996224803
                   +0 :              -0.00000997341280
                   +1 :               0.00000180916349
                   +2 :              -0.00002351831487
             10 vec=   -12.966938      7.970091      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000221552890
                2s
                   +0 :              -0.00006854726606
                3s
                   +0 :              -0.00002155512118
                2p
                   -1 :               0.00010113042711
                   +0 :              -0.00002073967230
                   +1 :               0.00017502327789
                3p
                   -1 :              -0.00012067799955
                   +0 :              -0.00003891421185
                   +1 :              -0.00009599617780
                3d
                   -2 :               0.00001100962758
                   -1 :              -0.00000171082595
                   +0 :              -0.00000103490307
                   +1 :              -0.00000472351802
                   +2 :               0.00000452260471
             11 vec=    -5.186775    -14.489304      4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00001732457135
                2s
                   +0 :              -0.00013742375367
                3s
                   +0 :               0.00006099134644
                2p
                   -1 :               0.00019766192465
                   +0 :               0.00004222151592
                   +1 :              -0.00003184500588
                3p
                   -1 :              -0.00013041415212
                   +0 :              -0.00003627992679
                   +1 :               0.00003314893791
                3d
                   -2 :              -0.00000320142893
                   -1 :               0.00000628462420
                   +0 :               0.00000373111432
                   +1 :               0.00000436632527
                   +2 :              -0.00001054465587
             12 vec=    10.373550     12.461970      4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00001443543546
                2s
                   +0 :               0.00011098318188
                3s
                   +0 :              -0.00003018782885
                2p
                   -1 :               0.00037155804479
                   +0 :               0.00007992910254
                   +1 :               0.00002183198460
                3p
                   -1 :              -0.00028971682847
                   +0 :              -0.00004292716688
                   +1 :              -0.00001560145917
                3d
                   -2 :              -0.00001251330708
                   -1 :              -0.00000545809206
                   +0 :               0.00000893335925
                   +1 :              -0.00000234661526
                   +2 :               0.00001265501262
             13 vec=   -12.966938     -9.997425      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00001654713948
                2s
                   +0 :              -0.00010544217423
                3s
                   +0 :               0.00005114376928
                2p
                   -1 :               0.00017149850352
                   +0 :              -0.00001761423896
                   +1 :               0.00003355064624
                3p
                   -1 :              -0.00012659816519
                   +0 :               0.00000151584918
                   +1 :              -0.00000377459585
                3d
                   -2 :              -0.00000070180750
                   -1 :               0.00000387319796
                   +0 :              -0.00000199947400
                   +1 :               0.00000124332157
                   +2 :              -0.00000800795007
             14 vec=     2.593388     16.953849      4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000793835571
                2s
                   +0 :              -0.00006631818100
                3s
                   +0 :               0.00003129352588
                2p
                   -1 :              -0.00009486442287
                   +0 :              -0.00000359626698
                   +1 :               0.00003818546343
                3p
                   -1 :               0.00007920242122
                   +0 :               0.00000362319281
                   +1 :              -0.00004464243758
                3d
                   -2 :              -0.00000440547568
                   -1 :               0.00000049547906
                   +0 :              -0.00000577627038
                   +1 :               0.00000085768544
                   +2 :              -0.00000792082642
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al(  1)  npairs=  13
              1 vec=     2.383842     -1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00004542164153
                2p
                   -1 :              -0.00000083265405
                   +0 :              -0.00012105488505
                   +1 :               0.00020120569701
                3s
                   +0 :               0.00056041328413
                4s
                   +0 :              -0.00024430102948
                3p
                   -1 :              -0.00050319284471
                   +0 :               0.00009639142496
                   +1 :              -0.00056192097354
                4p
                   -1 :               0.00007675012901
                   +0 :               0.00007304518601
                   +1 :               0.00028955679326
                3d
                   -2 :               0.00003298434362
                   -1 :               0.00006442628249
                   +0 :              -0.00003009454855
                   +1 :              -0.00005816715058
                   +2 :              -0.00028532029657
              2 vec=    -5.396321      3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00034150213693
                2p
                   -1 :               0.00019039858215
                   +0 :               0.00008113772095
                   +1 :               0.00044456092905
                3s
                   +0 :               0.00121556268392
                4s
                   +0 :              -0.00048574716155
                3p
                   -1 :              -0.00060822914734
                   +0 :              -0.00065857053876
                   +1 :              -0.00213885057849
                4p
                   -1 :               0.00002903589586
                   +0 :               0.00034920365935
                   +1 :               0.00053136848714
                3d
                   -2 :               0.00006682645971
                   -1 :               0.00025465455597
                   +0 :               0.00005573611735
                   +1 :               0.00038168933157
                   +2 :               0.00011147646829
              3 vec=    -5.396321     -5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00000418748260
                2p
                   -1 :               0.00010226728836
                   +0 :               0.00000223682925
                   +1 :               0.00005354752651
                3s
                   +0 :              -0.00152251701903
                4s
                   +0 :               0.00010709240678
                3p
                   -1 :               0.00047276657331
                   +0 :               0.00037692978500
                   +1 :               0.00089378998261
                4p
                   -1 :               0.00013706788147
                   +0 :              -0.00002643623517
                   +1 :              -0.00005317089597
                3d
                   -2 :              -0.00034175386529
                   -1 :              -0.00020642724432
                   +0 :               0.00016927356081
                   +1 :              -0.00013584449990
                   +2 :              -0.00007647859742
              4 vec=     2.383842      7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00000616395603
                2p
                   -1 :               0.00035755251505
                   +0 :              -0.00012417405953
                   +1 :              -0.00005868804211
                3s
                   +0 :               0.00075937707435
                4s
                   +0 :               0.00012860459209
                3p
                   -1 :              -0.00073242061204
                   +0 :               0.00055512142249
                   +1 :              -0.00007485364508
                4p
                   -1 :               0.00028956038844
                   +0 :              -0.00040457181865
                   +1 :               0.00014973587356
                3d
                   -2 :              -0.00022236051064
                   -1 :               0.00010323513482
                   +0 :              -0.00012868700488
                   +1 :               0.00006278788352
                   +2 :              -0.00021885567981
              5 vec=     2.383842    -10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00003562968538
                2p
                   -1 :              -0.00008346641325
                   +0 :              -0.00003176597874
                   +1 :               0.00006070977082
                3s
                   +0 :              -0.00026271575303
                4s
                   +0 :               0.00016167321225
                3p
                   -1 :               0.00034192716607
                   +0 :               0.00024564736607
                   +1 :              -0.00037197767888
                4p
                   -1 :              -0.00011747163788
                   +0 :              -0.00010852621592
                   +1 :               0.00004950276593
                3d
                   -2 :               0.00005349494516
                   -1 :              -0.00005767166504
                   +0 :              -0.00003786532252
                   +1 :               0.00003854697818
                   +2 :               0.00002650983900
              6 vec=    10.164004      3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00000867627387
                2p
                   -1 :               0.00003729002835
                   +0 :               0.00000300488415
                   +1 :              -0.00009661879102
                3s
                   +0 :               0.00006936669888
                4s
                   +0 :              -0.00002513750986
                3p
                   -1 :              -0.00014982713339
                   +0 :              -0.00009662042978
                   +1 :               0.00063206521879
                4p
                   -1 :              -0.00004747868402
                   +0 :               0.00004489306842
                   +1 :              -0.00013781434059
                3d
                   -2 :               0.00004689187795
                   -1 :               0.00006081450391
                   +0 :              -0.00003323840608
                   +1 :              -0.00016950053559
                   +2 :               0.00020047482421
              7 vec=     2.383842     -1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00001527538156
                2p
                   -1 :              -0.00001128445195
                   +0 :               0.00001015282470
                   +1 :               0.00001703778075
                3s
                   +0 :              -0.00014999850190
                4s
                   +0 :               0.00005159906527
                3p
                   -1 :               0.00011775548005
                   +0 :              -0.00009508554569
                   +1 :              -0.00003908764316
                4p
                   -1 :              -0.00004392896070
                   +0 :               0.00002753116289
                   +1 :              -0.00001215343723
                3d
                   -2 :              -0.00002418097720
                   -1 :               0.00003913827817
                   +0 :              -0.00003823342713
                   +1 :              -0.00001377735797
                   +2 :              -0.00008024877634
              8 vec=    10.164004     -5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00023620983682
                2p
                   -1 :               0.00001208744782
                   +0 :               0.00009981735850
                   +1 :              -0.00016409109399
                3s
                   +0 :               0.00068675861308
                4s
                   +0 :              -0.00017334945291
                3p
                   -1 :               0.00007046405262
                   +0 :              -0.00042213731953
                   +1 :               0.00083099052037
                4p
                   -1 :              -0.00005076798956
                   +0 :               0.00009238429621
                   +1 :              -0.00018968609627
                3d
                   -2 :              -0.00012298507235
                   -1 :               0.00006339419099
                   +0 :              -0.00001586976382
                   +1 :              -0.00015965686021
                   +2 :               0.00010422268667
              9 vec=    -5.396321      3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00006054855038
                2p
                   -1 :              -0.00004406866940
                   +0 :              -0.00000324252025
                   +1 :              -0.00001913155799
                3s
                   +0 :               0.00008241041675
                4s
                   +0 :               0.00002247305581
                3p
                   -1 :               0.00014769955377
                   +0 :              -0.00010615708919
                   +1 :               0.00020138957210
                4p
                   -1 :              -0.00002350048562
                   +0 :               0.00006302506640
                   +1 :              -0.00005018361906
                3d
                   -2 :              -0.00003627399328
                   -1 :               0.00001210521803
                   +0 :              -0.00009819010489
                   +1 :               0.00005287102368
                   +2 :               0.00001440127607
             10 vec=   -13.176483     -1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00001128606475
                2p
                   -1 :               0.00000397419855
                   +0 :               0.00000702086556
                   +1 :               0.00002012725632
                3s
                   +0 :               0.00001405623513
                4s
                   +0 :               0.00002837366129
                3p
                   -1 :              -0.00008064766704
                   +0 :              -0.00003387504200
                   +1 :              -0.00005244754284
                4p
                   -1 :               0.00003315763436
                   +0 :              -0.00001957916674
                   +1 :              -0.00001196018943
                3d
                   -2 :               0.00000564456374
                   -1 :               0.00000305923239
                   +0 :               0.00001976975828
                   +1 :               0.00003193770652
                   +2 :               0.00002108151660
             11 vec=    -5.396321     12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00006373979257
                2p
                   -1 :               0.00010486940586
                   +0 :              -0.00000776803626
                   +1 :              -0.00001527681115
                3s
                   +0 :              -0.00009122583195
                4s
                   +0 :               0.00005657905217
                3p
                   -1 :              -0.00038887006482
                   +0 :              -0.00000517660045
                   +1 :               0.00008729352189
                4p
                   -1 :               0.00008175352086
                   +0 :               0.00000605776537
                   +1 :              -0.00004739202616
                3d
                   -2 :               0.00006541785257
                   -1 :               0.00003270217385
                   +0 :               0.00000634969494
                   +1 :               0.00000319525640
                   +2 :               0.00001187764946
             12 vec=    -5.396321     -5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00002559740532
                2p
                   -1 :               0.00002987993169
                   +0 :              -0.00000726001076
                   +1 :              -0.00004009397836
                3s
                   +0 :               0.00017365319009
                4s
                   +0 :              -0.00006860467441
                3p
                   -1 :              -0.00021758043894
                   +0 :               0.00010272405590
                   +1 :               0.00026079350212
                4p
                   -1 :               0.00003671291915
                   +0 :              -0.00003035950863
                   +1 :              -0.00003504286229
                3d
                   -2 :               0.00007304950278
                   -1 :              -0.00008606079926
                   +0 :               0.00001420823692
                   +1 :               0.00000649326897
                   +2 :               0.00001429521205
             13 vec=     2.383842      7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00010724325862
                2p
                   -1 :              -0.00000537429764
                   +0 :              -0.00003401369566
                   +1 :              -0.00001346638449
                3s
                   +0 :               0.00037870887463
                4s
                   +0 :              -0.00009342780565
                3p
                   -1 :               0.00005564607582
                   +0 :               0.00017313775341
                   +1 :               0.00009611682602
                4p
                   -1 :               0.00000354036891
                   +0 :              -0.00002952085440
                   +1 :               0.00000201294172
                3d
                   -2 :               0.00004397965041
                   -1 :               0.00002619597577
                   +0 :              -0.00000011922015
                   +1 :               0.00002631180382
                   +2 :               0.00003390694443
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al(  2)  npairs=  14
              1 vec=     2.383842     -1.376312     -2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.01398483545300
                2p
                   -1 :               0.00368944942053
                   +0 :               0.01139906283011
                   +1 :              -0.01383427544093
                3s
                   +0 :              -0.03886713633025
                4s
                   +0 :              -0.00705555881875
                3p
                   -1 :              -0.00725696417564
                   +0 :               0.03193035915046
                   +1 :              -0.02127987621339
                4p
                   -1 :               0.00331407708104
                   +0 :               0.00549889534153
                   +1 :              -0.00823542877843
                3d
                   -2 :               0.00041729525219
                   -1 :               0.00183260306130
                   +0 :              -0.01069491799533
                   +1 :               0.02874184400413
                   +2 :              -0.02158110622463
              2 vec=    -5.396321      3.115567     -2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00415771723330
                2p
                   -1 :              -0.00040516669007
                   +0 :               0.00140575560073
                   +1 :               0.00290202115091
                3s
                   +0 :               0.01641230937038
                4s
                   +0 :              -0.00930319885303
                3p
                   -1 :               0.00052389234779
                   +0 :              -0.00729037236437
                   +1 :              -0.01200682948563
                4p
                   -1 :              -0.00099777450379
                   +0 :               0.00297582711850
                   +1 :               0.00490666400026
                3d
                   -2 :              -0.00064762450343
                   -1 :               0.00062390266862
                   +0 :               0.00081967870761
                   +1 :               0.00223529839832
                   +2 :              -0.00064641903542
              3 vec=    -5.396321     -5.868191     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00036170300088
                2p
                   -1 :               0.00032094857620
                   +0 :              -0.00011831967510
                   +1 :               0.00053596800933
                3s
                   +0 :              -0.00265916016089
                4s
                   +0 :              -0.00052166817012
                3p
                   -1 :              -0.00276850619205
                   +0 :               0.00465146323969
                   +1 :              -0.00115937072764
                4p
                   -1 :               0.00047946706719
                   +0 :              -0.00015330637026
                   +1 :               0.00110512592287
                3d
                   -2 :               0.00114443577420
                   -1 :               0.00011066838969
                   +0 :              -0.00236524565965
                   +1 :              -0.00161114359913
                   +2 :              -0.00034165100415
              4 vec=     2.383842      7.607446     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00119055306503
                2p
                   -1 :              -0.00084614156409
                   +0 :               0.00059042748298
                   +1 :               0.00055004345116
                3s
                   +0 :               0.00676306825131
                4s
                   +0 :               0.00103550670845
                3p
                   -1 :               0.00297226390273
                   +0 :              -0.00770072735977
                   +1 :              -0.00803185205387
                4p
                   -1 :               0.00090335572763
                   +0 :               0.00048661794465
                   +1 :               0.00255086660085
                3d
                   -2 :              -0.00235560497689
                   -1 :              -0.00125861864843
                   +0 :               0.00180593583608
                   +1 :               0.00175055101569
                   +2 :               0.00017642789163
              5 vec=     2.383842    -10.360070     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00067648903418
                2p
                   -1 :               0.00028376490534
                   +0 :               0.00002560219399
                   +1 :              -0.00024499207233
                3s
                   +0 :               0.00047806543123
                4s
                   +0 :               0.00031801997055
                3p
                   -1 :               0.00032882131991
                   +0 :              -0.00028447875360
                   +1 :               0.00107410657157
                4p
                   -1 :              -0.00043462699258
                   +0 :              -0.00000197092726
                   +1 :              -0.00011761068684
                3d
                   -2 :              -0.00005466693095
                   -1 :              -0.00018202737563
                   +0 :              -0.00010910776051
                   +1 :              -0.00025667670427
                   +2 :               0.00022506070361
              6 vec=    10.164004      3.115567     -2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00027171934376
                2p
                   -1 :               0.00013453038753
                   +0 :              -0.00000479894311
                   +1 :              -0.00008517109198
                3s
                   +0 :              -0.00035938592183
                4s
                   +0 :               0.00037616317550
                3p
                   -1 :              -0.00056577496782
                   +0 :              -0.00025190352491
                   +1 :               0.00097960438037
                4p
                   -1 :               0.00015476159206
                   +0 :               0.00004638299762
                   +1 :              -0.00016419306615
                3d
                   -2 :              -0.00008123925433
                   -1 :              -0.00021258431413
                   +0 :               0.00001577897142
                   +1 :              -0.00009677102586
                   +2 :               0.00033128071005
              7 vec=    10.164004     -5.868191     -2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00025477121057
                2p
                   -1 :               0.00002240152222
                   +0 :               0.00001930935178
                   +1 :              -0.00007054981421
                3s
                   +0 :               0.00047275523422
                4s
                   +0 :              -0.00022786855853
                3p
                   -1 :               0.00006747052078
                   +0 :               0.00021653862393
                   +1 :               0.00020808580269
                4p
                   -1 :               0.00014086590951
                   +0 :               0.00005465613947
                   +1 :              -0.00000382834280
                3d
                   -2 :               0.00042004087591
                   -1 :              -0.00016211681338
                   +0 :              -0.00011856006311
                   +1 :               0.00003507796983
                   +2 :               0.00034247243467
              8 vec=   -13.176483     -1.376312     -2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00007836204886
                2p
                   -1 :              -0.00002393098948
                   +0 :              -0.00008375725280
                   +1 :              -0.00003086694258
                3s
                   +0 :              -0.00027964231718
                4s
                   +0 :               0.00014012663456
                3p
                   -1 :               0.00006189519533
                   +0 :               0.00035510152321
                   +1 :               0.00021222607200
                4p
                   -1 :               0.00002412908992
                   +0 :              -0.00013299154871
                   +1 :              -0.00010007046752
                3d
                   -2 :              -0.00004758686112
                   -1 :               0.00003184227055
                   +0 :               0.00000999593781
                   +1 :              -0.00013686186902
                   +2 :              -0.00006808370542
              9 vec=    -5.396321     12.099325     -2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00005446778267
                2p
                   -1 :               0.00019882464255
                   +0 :              -0.00024326988091
                   +1 :               0.00035040877549
                3s
                   +0 :               0.00052777757971
                4s
                   +0 :               0.00009466194844
                3p
                   -1 :              -0.00047967703797
                   +0 :               0.00017202985718
                   +1 :              -0.00169152155384
                4p
                   -1 :               0.00024904815989
                   +0 :              -0.00006025439808
                   +1 :               0.00049577424592
                3d
                   -2 :              -0.00040629970323
                   -1 :              -0.00006669801061
                   +0 :               0.00005681479121
                   +1 :              -0.00006121200864
                   +2 :               0.00020492771509
             10 vec=   -13.176483      7.607446     -2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00004472694109
                2p
                   -1 :              -0.00000636367515
                   +0 :              -0.00002138174376
                   +1 :              -0.00002286176263
                3s
                   +0 :              -0.00006016587597
                4s
                   +0 :              -0.00001430091359
                3p
                   -1 :               0.00002849137255
                   +0 :               0.00013412149838
                   +1 :               0.00001969915250
                4p
                   -1 :               0.00000250901812
                   +0 :              -0.00005914457289
                   +1 :               0.00003733563986
                3d
                   -2 :              -0.00001270438673
                   -1 :               0.00000115580960
                   +0 :               0.00002999010583
                   +1 :              -0.00002311622408
                   +2 :               0.00002216348462
             11 vec=    -5.396321    -14.851949     -2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00000551526164
                2p
                   -1 :              -0.00003001378246
                   +0 :               0.00005063811307
                   +1 :               0.00001964539951
                3s
                   +0 :              -0.00012195434445
                4s
                   +0 :               0.00002568250358
                3p
                   -1 :               0.00014135676713
                   +0 :              -0.00026103693752
                   +1 :              -0.00014574062000
                4p
                   -1 :              -0.00005004673731
                   +0 :               0.00006485790062
                   +1 :               0.00003896066301
                3d
                   -2 :               0.00002417176851
                   -1 :               0.00004227182546
                   +0 :               0.00000109554371
                   +1 :               0.00000061957497
                   +2 :              -0.00000423315689
             12 vec=    10.164004     12.099325     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00001605353394
                2p
                   -1 :              -0.00003478855559
                   +0 :              -0.00003696555807
                   +1 :              -0.00003918309893
                3s
                   +0 :               0.00001769474198
                4s
                   +0 :              -0.00011004255012
                3p
                   -1 :               0.00015522603068
                   +0 :               0.00021353441980
                   +1 :               0.00017549841394
                4p
                   -1 :              -0.00007839600847
                   +0 :              -0.00003835341245
                   +1 :              -0.00008644770747
                3d
                   -2 :               0.00007176698830
                   -1 :               0.00008638102061
                   +0 :              -0.00000464898112
                   +1 :              -0.00005674666542
                   +2 :              -0.00002239940452
             13 vec=   -13.176483    -10.360070     -2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00005404981442
                2p
                   -1 :               0.00002820345088
                   +0 :               0.00002342663878
                   +1 :               0.00001989617048
                3s
                   +0 :               0.00011903897836
                4s
                   +0 :              -0.00005468658758
                3p
                   -1 :              -0.00010436639200
                   +0 :              -0.00009159268984
                   +1 :              -0.00010203071175
                4p
                   -1 :               0.00002569041540
                   +0 :               0.00003297823966
                   +1 :               0.00003306694671
                3d
                   -2 :              -0.00000685017305
                   -1 :              -0.00001560521100
                   +0 :              -0.00000181357877
                   +1 :               0.00003073248600
                   +2 :               0.00000616756568
             14 vec=     2.383842     16.591204     -2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00003818979456
                2p
                   -1 :              -0.00000408325012
                   +0 :              -0.00000791467584
                   +1 :              -0.00002137928163
                3s
                   +0 :               0.00027153929218
                4s
                   +0 :              -0.00012548008725
                3p
                   -1 :               0.00008046435345
                   +0 :              -0.00004824538229
                   +1 :               0.00008737462765
                4p
                   -1 :              -0.00004679018301
                   +0 :               0.00001904221752
                   +1 :               0.00000823609399
                3d
                   -2 :               0.00000304176136
                   -1 :              -0.00002999575490
                   +0 :               0.00002050427880
                   +1 :               0.00000366743181
                   +2 :              -0.00002368187573
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Cr(  3)  npairs=  13
              1 vec=     2.383842     -1.376312      9.763049   |vec|=   10.143671
                3s
                   +0 :              -0.00051494641827
                3p
                   -1 :               0.00023171066638
                   +0 :               0.00001430044064
                   +1 :              -0.00008075122588
                4s
                   +0 :               0.00105636433576
                5s
                   +0 :              -0.00013321505792
                3d
                   -2 :               0.00074946886388
                   -1 :               0.00043856234800
                   +0 :               0.00019410041166
                   +1 :              -0.00025013745932
                   +2 :              -0.00053635746260
                4d
                   -2 :              -0.00043185947109
                   -1 :              -0.00000350448188
                   +0 :              -0.00008384471492
                   +1 :               0.00006047789406
                   +2 :               0.00010845415046
                4p
                   -1 :              -0.00001576074503
                   +0 :               0.00002570090431
                   +1 :               0.00002688656506
              2 vec=    -5.396321      3.115567      9.763049   |vec|=   11.582062
                3s
                   +0 :              -0.00010856717799
                3p
                   -1 :              -0.00023484043540
                   +0 :               0.00008597234179
                   +1 :               0.00010368612445
                4s
                   +0 :              -0.00002565151673
                5s
                   +0 :               0.00006662964977
                3d
                   -2 :               0.00007467652064
                   -1 :               0.00018117133302
                   +0 :              -0.00002540341029
                   +1 :               0.00026235338813
                   +2 :              -0.00058936252529
                4d
                   -2 :              -0.00001301978161
                   -1 :               0.00015780176800
                   +0 :              -0.00028341050270
                   +1 :               0.00009241244855
                   +2 :               0.00026855331027
                4p
                   -1 :               0.00040968204781
                   +0 :              -0.00034113099469
                   +1 :              -0.00017461649537
              3 vec=    -5.396321     -5.868191      9.763049   |vec|=   12.604486
                3s
                   +0 :               0.00009994370971
                3p
                   -1 :              -0.00014253804078
                   +0 :               0.00012683652637
                   +1 :              -0.00067985269481
                4s
                   +0 :               0.00096475310600
                5s
                   +0 :              -0.00002785394512
                3d
                   -2 :               0.00082791510983
                   -1 :              -0.00015320270829
                   +0 :              -0.00041348439359
                   +1 :              -0.00080521642386
                   +2 :               0.00057052778377
                4d
                   -2 :              -0.00003359273537
                   -1 :              -0.00016401253325
                   +0 :              -0.00004800584590
                   +1 :               0.00016653506047
                   +2 :               0.00014729137406
                4p
                   -1 :              -0.00034393529617
                   +0 :               0.00018244573748
                   +1 :              -0.00000451506975
              4 vec=     2.383842      7.607446      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00029562692046
                3p
                   -1 :              -0.00032617113369
                   +0 :              -0.00010693540960
                   +1 :              -0.00005490856080
                4s
                   +0 :               0.00020859888768
                5s
                   +0 :              -0.00004851844192
                3d
                   -2 :              -0.00050187822327
                   -1 :              -0.00038803676211
                   +0 :               0.00024439925226
                   +1 :              -0.00004924512482
                   +2 :               0.00040122004391
                4d
                   -2 :               0.00014927645462
                   -1 :               0.00032725653358
                   +0 :               0.00005554497362
                   +1 :              -0.00002185933299
                   +2 :              -0.00024972373862
                4p
                   -1 :               0.00018466454909
                   +0 :               0.00012089472342
                   +1 :               0.00002634754706
              5 vec=     2.383842    -10.360070      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00023283251952
                3p
                   -1 :               0.00007676641714
                   +0 :              -0.00006076360069
                   +1 :              -0.00000185610731
                4s
                   +0 :               0.00043122937546
                5s
                   +0 :              -0.00002046840794
                3d
                   -2 :              -0.00023423585255
                   -1 :              -0.00006521243865
                   +0 :              -0.00005842491576
                   +1 :               0.00010318705477
                   +2 :               0.00004401407712
                4d
                   -2 :              -0.00001085883753
                   -1 :              -0.00008614754879
                   +0 :              -0.00000251217927
                   +1 :               0.00003510673344
                   +2 :               0.00005838621165
                4p
                   -1 :              -0.00016755323053
                   +0 :               0.00010867747958
                   +1 :               0.00007638164016
              6 vec=    10.164004      3.115567      9.763049   |vec|=   14.433671
                3s
                   +0 :               0.00007871597091
                3p
                   -1 :              -0.00018253632310
                   +0 :               0.00000004757043
                   +1 :               0.00015337612429
                4s
                   +0 :              -0.00015417549047
                5s
                   +0 :              -0.00001692794655
                3d
                   -2 :               0.00023269523211
                   -1 :               0.00002263835816
                   +0 :               0.00012391108098
                   +1 :              -0.00006846776632
                   +2 :               0.00006067950996
                4d
                   -2 :               0.00018562278685
                   -1 :               0.00026193004440
                   +0 :               0.00002384844041
                   +1 :              -0.00012633786080
                   +2 :              -0.00015565143458
                4p
                   -1 :               0.00049738761743
                   +0 :              -0.00002278930849
                   +1 :              -0.00031451219498
              7 vec=     2.383842     -1.376312    -14.784494   |vec|=   15.038557
                3s
                   +0 :               0.00006724020873
                3p
                   -1 :               0.00003115095355
                   +0 :              -0.00003684277593
                   +1 :              -0.00002282752552
                4s
                   +0 :              -0.00012978722351
                5s
                   +0 :               0.00002201014032
                3d
                   -2 :               0.00001836572090
                   -1 :              -0.00004422163889
                   +0 :               0.00004678530321
                   +1 :               0.00007249830945
                   +2 :               0.00018762420313
                4d
                   -2 :              -0.00006739448428
                   -1 :              -0.00000303432830
                   +0 :              -0.00000857704309
                   +1 :              -0.00001030359942
                   +2 :              -0.00001182200272
                4p
                   -1 :              -0.00009574643446
                   +0 :               0.00003087509507
                   +1 :               0.00000058961083
              8 vec=    10.164004     -5.868191      9.763049   |vec|=   15.266295
                3s
                   +0 :               0.00013375022667
                3p
                   -1 :              -0.00001560370321
                   +0 :               0.00007745988594
                   +1 :               0.00006027067087
                4s
                   +0 :              -0.00033568335627
                5s
                   +0 :               0.00002999245512
                3d
                   -2 :              -0.00023237060923
                   -1 :              -0.00014174003466
                   +0 :              -0.00002731706265
                   +1 :               0.00017433755100
                   +2 :              -0.00010807618884
                4d
                   -2 :               0.00011076860072
                   -1 :               0.00010240954742
                   +0 :              -0.00003723013279
                   +1 :              -0.00018239491916
                   +2 :               0.00004616280441
                4p
                   -1 :               0.00006789046702
                   +0 :              -0.00018597103408
                   +1 :              -0.00016311684502
              9 vec=    -5.396321      3.115567    -14.784494   |vec|=   16.043949
                3s
                   +0 :              -0.00001273346132
                3p
                   -1 :               0.00006014235090
                   +0 :              -0.00001975517112
                   +1 :               0.00000585786236
                4s
                   +0 :              -0.00007443616753
                5s
                   +0 :               0.00002882096775
                3d
                   -2 :              -0.00002829062223
                   -1 :              -0.00005213756267
                   +0 :               0.00010543394578
                   +1 :               0.00010636383644
                   +2 :              -0.00002350681513
                4d
                   -2 :              -0.00002355661576
                   -1 :               0.00004007108414
                   +0 :              -0.00004959481238
                   +1 :              -0.00002443832017
                   +2 :              -0.00000410141303
                4p
                   -1 :              -0.00009938996763
                   +0 :               0.00006817192384
                   +1 :              -0.00002832398497
             10 vec=   -13.176483     -1.376312      9.763049   |vec|=   16.456946
                3s
                   +0 :              -0.00004493032676
                3p
                   -1 :              -0.00000946333317
                   +0 :               0.00000606657297
                   +1 :              -0.00001656762315
                4s
                   +0 :               0.00008744037588
                5s
                   +0 :               0.00000021217959
                3d
                   -2 :              -0.00008517514281
                   -1 :               0.00003745511764
                   +0 :              -0.00002227888030
                   +1 :               0.00002133410864
                   +2 :               0.00006686706503
                4d
                   -2 :               0.00005636172690
                   -1 :               0.00002520288193
                   +0 :              -0.00003739910414
                   +1 :               0.00004279395791
                   +2 :              -0.00005874593332
                4p
                   -1 :               0.00002956315566
                   +0 :              -0.00003312392127
                   +1 :               0.00000793125204
             11 vec=    -5.396321     12.099325      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00001267735475
                3p
                   -1 :              -0.00005564460224
                   +0 :              -0.00002200358481
                   +1 :               0.00001304448142
                4s
                   +0 :              -0.00014912251877
                5s
                   +0 :               0.00003094542274
                3d
                   -2 :              -0.00006607974275
                   -1 :              -0.00019406857541
                   +0 :               0.00007879840732
                   +1 :               0.00000601773231
                   +2 :               0.00022705536197
                4d
                   -2 :              -0.00001782438045
                   -1 :              -0.00002172594252
                   +0 :               0.00000905639597
                   +1 :              -0.00002432422627
                   +2 :               0.00002122749243
                4p
                   -1 :               0.00000824281523
                   +0 :               0.00000754602148
                   +1 :              -0.00001709231915
             12 vec=    -5.396321     -5.868191    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00010273309234
                3p
                   -1 :               0.00003518095717
                   +0 :               0.00006235852478
                   +1 :              -0.00002530747111
                4s
                   +0 :               0.00012246906008
                5s
                   +0 :              -0.00000063989351
                3d
                   -2 :              -0.00007961996215
                   -1 :              -0.00012593991931
                   +0 :              -0.00015835471346
                   +1 :               0.00000755163491
                   +2 :               0.00002075791292
                4d
                   -2 :              -0.00001542086124
                   -1 :              -0.00001243264084
                   +0 :              -0.00000521752994
                   +1 :              -0.00001049334059
                   +2 :              -0.00001820366087
                4p
                   -1 :              -0.00003850195315
                   +0 :              -0.00002266324746
                   +1 :               0.00006715644572
             13 vec=     2.383842      7.607446    -14.784494   |vec|=   16.796940
                3s
                   +0 :               0.00007061837403
                3p
                   -1 :              -0.00001491533403
                   +0 :              -0.00001276508756
                   +1 :              -0.00006910145639
                4s
                   +0 :              -0.00009990660919
                5s
                   +0 :              -0.00002280717312
                3d
                   -2 :              -0.00004431098364
                   -1 :               0.00005570204474
                   +0 :              -0.00001211240287
                   +1 :               0.00008570624141
                   +2 :              -0.00000961276858
                4d
                   -2 :              -0.00000349907364
                   -1 :              -0.00004634586565
                   +0 :               0.00006997300698
                   +1 :              -0.00004139515748
                   +2 :              -0.00002053334254
                4p
                   -1 :               0.00004052777791
                   +0 :              -0.00003390105759
                   +1 :               0.00012352309073
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al(  4)  npairs=  14
              1 vec=     2.383842     -1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.00875925526742
                2p
                   -1 :               0.00362227291425
                   +0 :              -0.01014200976928
                   +1 :              -0.00956522233727
                3s
                   +0 :              -0.02994142441795
                4s
                   +0 :              -0.00159882336689
                3p
                   -1 :              -0.01862276958845
                   +0 :              -0.03006817720082
                   +1 :              -0.02657849499995
                4p
                   -1 :               0.00492442813822
                   +0 :              -0.00295480050207
                   +1 :              -0.00150865447464
                3d
                   -2 :              -0.00566480660594
                   -1 :              -0.00419631094910
                   +0 :              -0.01258105535645
                   +1 :              -0.02512303597182
                   +2 :              -0.01971402978871
              2 vec=    -5.396321      3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00201414883656
                2p
                   -1 :               0.00057924015781
                   +0 :               0.00028256645945
                   +1 :              -0.00055782620431
                3s
                   +0 :              -0.01441215378091
                4s
                   +0 :               0.00459104309986
                3p
                   -1 :              -0.00474523643513
                   +0 :              -0.00651420246098
                   +1 :               0.00830740951720
                4p
                   -1 :               0.00094447034121
                   +0 :               0.00161336384392
                   +1 :              -0.00146671817320
                3d
                   -2 :              -0.00044086757125
                   -1 :              -0.00197918367409
                   +0 :              -0.00041994014889
                   +1 :               0.00024150755760
                   +2 :              -0.00172307013742
              3 vec=    -5.396321     -5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00087568763460
                2p
                   -1 :              -0.00021863180363
                   +0 :               0.00055840116516
                   +1 :              -0.00058309948801
                3s
                   +0 :              -0.00800004743277
                4s
                   +0 :               0.00122948406307
                3p
                   -1 :              -0.00056467731058
                   +0 :              -0.00774081924489
                   +1 :               0.00527952333615
                4p
                   -1 :               0.00012891782074
                   +0 :               0.00105217539921
                   +1 :              -0.00084198298873
                3d
                   -2 :               0.00085983221116
                   -1 :               0.00006685826117
                   +0 :              -0.00131985649349
                   +1 :               0.00207241711795
                   +2 :              -0.00126561481423
              4 vec=     2.383842      7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00117198140239
                2p
                   -1 :               0.00101172775510
                   +0 :              -0.00045187812928
                   +1 :               0.00070026584724
                3s
                   +0 :               0.00024852632169
                4s
                   +0 :               0.00119528344548
                3p
                   -1 :              -0.00504890269086
                   +0 :               0.00682034231108
                   +1 :              -0.00482945792878
                4p
                   -1 :               0.00200680380657
                   +0 :              -0.00066791792374
                   +1 :               0.00015026408813
                3d
                   -2 :              -0.00216886182533
                   -1 :               0.00143183609867
                   +0 :               0.00341340720359
                   +1 :              -0.00125699078563
                   +2 :               0.00101089811072
              5 vec=     2.383842    -10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00000519649568
                2p
                   -1 :              -0.00006902071228
                   +0 :               0.00004423975806
                   +1 :               0.00018407090701
                3s
                   +0 :              -0.00036333752117
                4s
                   +0 :               0.00003060884631
                3p
                   -1 :               0.00056895022505
                   +0 :              -0.00028914933729
                   +1 :              -0.00060863341277
                4p
                   -1 :              -0.00015398422187
                   +0 :               0.00004770577650
                   +1 :               0.00011999174001
                3d
                   -2 :               0.00031901506503
                   -1 :               0.00032927664708
                   +0 :               0.00023689331915
                   +1 :               0.00029593654258
                   +2 :               0.00006722729385
              6 vec=    10.164004      3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00029873967822
                2p
                   -1 :               0.00007918375800
                   +0 :               0.00014665985855
                   +1 :               0.00031764869870
                3s
                   +0 :               0.00019102232584
                4s
                   +0 :               0.00013933410495
                3p
                   -1 :              -0.00005475791727
                   +0 :              -0.00079752818618
                   +1 :              -0.00052618314770
                4p
                   -1 :               0.00009869792780
                   +0 :               0.00030999955664
                   +1 :               0.00015937820785
                3d
                   -2 :              -0.00007223993169
                   -1 :              -0.00003771983348
                   +0 :               0.00026768115420
                   +1 :               0.00001603983161
                   +2 :              -0.00003788051137
              7 vec=    10.164004     -5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00003524410545
                2p
                   -1 :               0.00009237003217
                   +0 :              -0.00016412204819
                   +1 :              -0.00005657342806
                3s
                   +0 :              -0.00008647109366
                4s
                   +0 :              -0.00019301910937
                3p
                   -1 :              -0.00016495763538
                   +0 :               0.00030932429728
                   +1 :               0.00024343250947
                4p
                   -1 :               0.00015254483684
                   +0 :              -0.00010829335936
                   +1 :              -0.00009066781118
                3d
                   -2 :              -0.00005026154492
                   -1 :               0.00020286490311
                   +0 :               0.00003357434048
                   +1 :               0.00004998726826
                   +2 :               0.00012823806698
              8 vec=   -13.176483     -1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00009211304850
                2p
                   -1 :               0.00012256294049
                   +0 :              -0.00001935736165
                   +1 :              -0.00009343887970
                3s
                   +0 :              -0.00029099647604
                4s
                   +0 :               0.00012265157975
                3p
                   -1 :              -0.00060543547609
                   +0 :              -0.00000322291984
                   +1 :               0.00049950593137
                4p
                   -1 :               0.00015596985109
                   +0 :               0.00008826538707
                   +1 :              -0.00015493232765
                3d
                   -2 :               0.00020469497293
                   -1 :              -0.00011263279547
                   +0 :               0.00016026091293
                   +1 :               0.00000958417393
                   +2 :              -0.00012962676673
              9 vec=    -5.396321     12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00013086303445
                2p
                   -1 :              -0.00007641436960
                   +0 :              -0.00007597219442
                   +1 :              -0.00009711783274
                3s
                   +0 :               0.00157628963739
                4s
                   +0 :              -0.00039271399511
                3p
                   -1 :               0.00106402726845
                   +0 :               0.00114986972439
                   +1 :               0.00071915713229
                4p
                   -1 :              -0.00023520577627
                   +0 :              -0.00015259568285
                   +1 :              -0.00013502807994
                3d
                   -2 :               0.00010075347085
                   -1 :               0.00037977761550
                   +0 :               0.00027993824155
                   +1 :              -0.00000919769717
                   +2 :              -0.00028589448534
             10 vec=   -13.176483      7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00005848782539
                2p
                   -1 :              -0.00002977489505
                   +0 :              -0.00002714708240
                   +1 :               0.00002711598885
                3s
                   +0 :               0.00028204174688
                4s
                   +0 :              -0.00009832989438
                3p
                   -1 :               0.00014356390710
                   +0 :               0.00018850650053
                   +1 :              -0.00013947395313
                4p
                   -1 :              -0.00004836093855
                   +0 :              -0.00005890424037
                   +1 :               0.00004224382383
                3d
                   -2 :               0.00000080486962
                   -1 :              -0.00001116635939
                   +0 :              -0.00002494166250
                   +1 :              -0.00004734311185
                   +2 :              -0.00001778463881
             11 vec=    -5.396321    -14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00002582739668
                2p
                   -1 :              -0.00005399064887
                   +0 :              -0.00003732259296
                   +1 :               0.00004751246857
                3s
                   +0 :              -0.00022633921807
                4s
                   +0 :               0.00013371334929
                3p
                   -1 :               0.00029563326396
                   +0 :               0.00010037442083
                   +1 :              -0.00015857619347
                4p
                   -1 :              -0.00011405162759
                   +0 :              -0.00001026595700
                   +1 :               0.00002432065571
                3d
                   -2 :              -0.00001413797797
                   -1 :              -0.00001365263038
                   +0 :              -0.00001276219809
                   +1 :              -0.00001286134737
                   +2 :               0.00003591650050
             12 vec=    10.164004     12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00006998120778
                2p
                   -1 :              -0.00006108771942
                   +0 :               0.00002917761961
                   +1 :              -0.00005626471711
                3s
                   +0 :               0.00018940518509
                4s
                   +0 :              -0.00009724215195
                3p
                   -1 :               0.00020356930301
                   +0 :              -0.00018489961538
                   +1 :               0.00025681029969
                4p
                   -1 :              -0.00007317149498
                   +0 :               0.00002479228265
                   +1 :              -0.00008322256933
                3d
                   -2 :               0.00000897126388
                   -1 :              -0.00002312178301
                   +0 :              -0.00004939885829
                   +1 :              -0.00000715849627
                   +2 :               0.00004172987908
             13 vec=   -13.176483    -10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00002294882856
                2p
                   -1 :              -0.00001534168913
                   +0 :              -0.00000055847348
                   +1 :              -0.00000062776793
                3s
                   +0 :              -0.00014105941192
                4s
                   +0 :               0.00005643618265
                3p
                   -1 :               0.00004140931640
                   +0 :              -0.00003615260272
                   +1 :               0.00002664199071
                4p
                   -1 :               0.00001336931897
                   +0 :               0.00000328514003
                   +1 :              -0.00003027708831
                3d
                   -2 :              -0.00001232712872
                   -1 :               0.00000954262103
                   +0 :              -0.00001503241509
                   +1 :               0.00000972206434
                   +2 :              -0.00000264122493
             14 vec=     2.383842     16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00006089373036
                2p
                   -1 :               0.00003056505180
                   +0 :               0.00002891878642
                   +1 :               0.00001764167491
                3s
                   +0 :              -0.00013173943049
                4s
                   +0 :               0.00007419686604
                3p
                   -1 :              -0.00013052648888
                   +0 :              -0.00009789311808
                   +1 :              -0.00002911174240
                4p
                   -1 :               0.00003890004874
                   +0 :               0.00004459202082
                   +1 :               0.00000337085080
                3d
                   -2 :               0.00001089064970
                   -1 :              -0.00001822865966
                   +0 :              -0.00001879120583
                   +1 :               0.00003685379071
                   +2 :              -0.00000828852214
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al(  5)  npairs=  14
              1 vec=    -0.209546      3.115567     -1.580616   |vec|=    3.499860
                2s
                   +0 :               0.04513243318176
                2p
                   -1 :               0.04239136519181
                   +0 :              -0.02829680929153
                   +1 :              -0.00172754691033
                3s
                   +0 :               0.10349633780942
                4s
                   +0 :               0.01671618021724
                3p
                   -1 :               0.06553151143854
                   +0 :              -0.05246357368158
                   +1 :              -0.02000248790097
                4p
                   -1 :               0.02373346803751
                   +0 :              -0.01322541957438
                   +1 :               0.00311294780713
                3d
                   -2 :              -0.00787016519191
                   -1 :              -0.05893611485860
                   +0 :               0.00449977149486
                   +1 :               0.00448466381894
                   +2 :              -0.03686671329205
              2 vec=    -0.209546     -5.868191     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00442812293184
                2p
                   -1 :              -0.00338276237473
                   +0 :              -0.00145388101073
                   +1 :               0.00034431556581
                3s
                   +0 :              -0.00604583194688
                4s
                   +0 :               0.00622574769640
                3p
                   -1 :               0.01055142870287
                   +0 :               0.00703789455360
                   +1 :              -0.00423254692356
                4p
                   -1 :              -0.00417517077075
                   +0 :              -0.00252401554697
                   +1 :               0.00121971226974
                3d
                   -2 :               0.00190812702250
                   -1 :              -0.00284216529446
                   +0 :               0.00309244160956
                   +1 :               0.00014466312964
                   +2 :               0.00436550241036
              3 vec=     7.570617     -1.376312     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00025058642235
                2p
                   -1 :               0.00028089393756
                   +0 :               0.00070199442492
                   +1 :               0.00024496589751
                3s
                   +0 :               0.00194778866806
                4s
                   +0 :              -0.00001651898647
                3p
                   -1 :              -0.00062095462073
                   +0 :              -0.00404102259424
                   +1 :               0.00236069590845
                4p
                   -1 :              -0.00006879608172
                   +0 :               0.00067405494185
                   +1 :               0.00012745212031
                3d
                   -2 :              -0.00012278858997
                   -1 :               0.00034679751296
                   +0 :              -0.00013982720498
                   +1 :              -0.00200213354493
                   +2 :               0.00091821829983
              4 vec=    -7.989708     -1.376312     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00037109484411
                2p
                   -1 :              -0.00048930330613
                   +0 :              -0.00046590584590
                   +1 :               0.00007382289510
                3s
                   +0 :              -0.00024498724899
                4s
                   +0 :               0.00075631807313
                3p
                   -1 :               0.00217851101265
                   +0 :               0.00190853240749
                   +1 :              -0.00196012377807
                4p
                   -1 :              -0.00085856543711
                   +0 :              -0.00065109755969
                   +1 :              -0.00014148652503
                3d
                   -2 :               0.00010159343188
                   -1 :              -0.00042656906213
                   +0 :              -0.00029262666167
                   +1 :               0.00072282918124
                   +2 :               0.00121942167774
              5 vec=     7.570617      7.607446     -1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00045527387315
                2p
                   -1 :              -0.00051308998678
                   +0 :              -0.00021544751665
                   +1 :              -0.00012672289779
                3s
                   +0 :               0.00118792873413
                4s
                   +0 :              -0.00028124453852
                3p
                   -1 :               0.00176135611116
                   +0 :               0.00057586673324
                   +1 :               0.00078855002777
                4p
                   -1 :              -0.00045116905186
                   +0 :              -0.00002175130677
                   +1 :               0.00000704301828
                3d
                   -2 :               0.00079211226189
                   -1 :               0.00005706765472
                   +0 :              -0.00018907360652
                   +1 :              -0.00022718855128
                   +2 :              -0.00062758932646
              6 vec=    -7.989708      7.607446     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00010533920291
                2p
                   -1 :               0.00010262613116
                   +0 :               0.00017674344087
                   +1 :               0.00019710077882
                3s
                   +0 :               0.00010532986010
                4s
                   +0 :              -0.00070480400049
                3p
                   -1 :              -0.00044119506891
                   +0 :              -0.00089677654923
                   +1 :              -0.00177637935690
                4p
                   -1 :              -0.00012025391847
                   +0 :               0.00021745212301
                   +1 :               0.00059144243150
                3d
                   -2 :               0.00003358207383
                   -1 :              -0.00002537718811
                   +0 :              -0.00029791880104
                   +1 :               0.00060309681270
                   +2 :               0.00099495273407
              7 vec=    -0.209546     12.099325     -1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00013867639873
                2p
                   -1 :              -0.00008684164235
                   +0 :               0.00003193999500
                   +1 :               0.00013809166963
                3s
                   +0 :               0.00085482108207
                4s
                   +0 :              -0.00000190256347
                3p
                   -1 :               0.00086022541246
                   +0 :              -0.00052527345741
                   +1 :              -0.00067531128571
                4p
                   -1 :              -0.00014290087045
                   +0 :              -0.00001329067655
                   +1 :               0.00031860739279
                3d
                   -2 :              -0.00007052202049
                   -1 :              -0.00008340003415
                   +0 :              -0.00011752353013
                   +1 :              -0.00009582302283
                   +2 :              -0.00014911081199
              8 vec=     7.570617    -10.360070     -1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00006903001864
                2p
                   -1 :               0.00005138073124
                   +0 :               0.00018650317933
                   +1 :              -0.00016370665995
                3s
                   +0 :              -0.00196531820876
                4s
                   +0 :               0.00023520995162
                3p
                   -1 :              -0.00038471422692
                   +0 :               0.00046833341553
                   +1 :              -0.00078622859337
                4p
                   -1 :               0.00000715649339
                   +0 :               0.00009724755492
                   +1 :              -0.00009109190320
                3d
                   -2 :              -0.00022844354981
                   -1 :               0.00008676030742
                   +0 :              -0.00025397016631
                   +1 :               0.00053217822211
                   +2 :              -0.00045208207171
              9 vec=    -7.989708    -10.360070     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00007151863988
                2p
                   -1 :              -0.00002998565614
                   +0 :              -0.00003326105935
                   +1 :               0.00012535400553
                3s
                   +0 :              -0.00169949187583
                4s
                   +0 :              -0.00000593589452
                3p
                   -1 :               0.00048205020658
                   +0 :               0.00163142440252
                   +1 :               0.00083949296634
                4p
                   -1 :              -0.00000867130119
                   +0 :              -0.00020233659792
                   +1 :               0.00009459920084
                3d
                   -2 :              -0.00021314926893
                   -1 :              -0.00033137845848
                   +0 :              -0.00015369826224
                   +1 :              -0.00060182635032
                   +2 :              -0.00024795077567
             10 vec=    -0.209546    -14.851949     -1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00020640635906
                2p
                   -1 :              -0.00003000170004
                   +0 :               0.00002604250879
                   +1 :               0.00001581934790
                3s
                   +0 :              -0.00109535677563
                4s
                   +0 :               0.00026183143992
                3p
                   -1 :               0.00027771585652
                   +0 :               0.00007992966619
                   +1 :               0.00000669553481
                4p
                   -1 :              -0.00006128999721
                   +0 :               0.00004717861562
                   +1 :              -0.00001248162519
                3d
                   -2 :              -0.00002429531376
                   -1 :               0.00001206786465
                   +0 :              -0.00004761330952
                   +1 :               0.00001044303575
                   +2 :              -0.00002211738273
             11 vec=    15.350780      3.115567     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00001530089907
                2p
                   -1 :              -0.00003465909416
                   +0 :              -0.00001720589876
                   +1 :               0.00003470131842
                3s
                   +0 :              -0.00001489310562
                4s
                   +0 :               0.00001495076290
                3p
                   -1 :               0.00012558985332
                   +0 :               0.00008265554791
                   +1 :              -0.00009264497763
                4p
                   -1 :              -0.00002134347991
                   +0 :              -0.00001980202892
                   +1 :               0.00000682831179
                3d
                   -2 :               0.00000708506549
                   -1 :               0.00002392409004
                   +0 :               0.00000715399116
                   +1 :               0.00005503848637
                   +2 :              -0.00000562524057
             12 vec=   -15.769871      3.115567     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00005047719874
                2p
                   -1 :               0.00001062960483
                   +0 :              -0.00000515448892
                   +1 :               0.00001374922338
                3s
                   +0 :               0.00030653148320
                4s
                   +0 :              -0.00008911423413
                3p
                   -1 :              -0.00013880073546
                   +0 :              -0.00005162612919
                   +1 :              -0.00013248177333
                4p
                   -1 :               0.00001089363837
                   +0 :               0.00001639415771
                   +1 :               0.00005054682207
                3d
                   -2 :               0.00004352461636
                   -1 :               0.00005267794136
                   +0 :               0.00002672378944
                   +1 :               0.00000415052850
                   +2 :              -0.00001953916180
             13 vec=    15.350780     -5.868191     -1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00006380802084
                2p
                   -1 :              -0.00003056732215
                   +0 :               0.00000098448649
                   +1 :              -0.00000118707680
                3s
                   +0 :              -0.00042478185004
                4s
                   +0 :               0.00006525331179
                3p
                   -1 :               0.00022171856230
                   +0 :               0.00012116588454
                   +1 :              -0.00011417835114
                4p
                   -1 :              -0.00001692261329
                   +0 :               0.00000690329805
                   +1 :               0.00001267943826
                3d
                   -2 :               0.00002998531672
                   -1 :              -0.00008304012298
                   +0 :              -0.00001430863244
                   +1 :               0.00004946052073
                   +2 :               0.00001017572119
             14 vec=   -15.769871     -5.868191     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00000971852359
                2p
                   -1 :              -0.00002342128000
                   +0 :               0.00000121597344
                   +1 :               0.00001953729507
                3s
                   +0 :              -0.00013216180500
                4s
                   +0 :               0.00004111602016
                3p
                   -1 :               0.00018295309651
                   +0 :               0.00006352459105
                   +1 :              -0.00006781373163
                4p
                   -1 :              -0.00003833073060
                   +0 :              -0.00001353364731
                   +1 :               0.00001018403441
                3d
                   -2 :              -0.00001513036902
                   -1 :              -0.00004600724211
                   +0 :              -0.00000300701695
                   +1 :              -0.00000657746590
                   +2 :               0.00004782835043
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al(  6)  npairs=  14
              1 vec=    -0.209546      3.115567      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00258075576434
                2p
                   -1 :              -0.00075864450417
                   +0 :              -0.00175592854917
                   +1 :               0.00034544735260
                3s
                   +0 :               0.00699075748033
                4s
                   +0 :              -0.00443724991205
                3p
                   -1 :               0.00302586837004
                   +0 :               0.01243626712986
                   +1 :              -0.00120821781532
                4p
                   -1 :              -0.00082187003764
                   +0 :              -0.00530161652506
                   +1 :               0.00012322659886
                3d
                   -2 :              -0.00042655173209
                   -1 :               0.00169286420843
                   +0 :               0.00356443619689
                   +1 :               0.00032483598570
                   +2 :              -0.00171914325473
              2 vec=    -0.209546     -5.868191      5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00027546028820
                2p
                   -1 :               0.00005952278571
                   +0 :               0.00052640026029
                   +1 :              -0.00014185392876
                3s
                   +0 :              -0.00479449250565
                4s
                   +0 :              -0.00015605543438
                3p
                   -1 :               0.00336259731774
                   +0 :              -0.00094963856148
                   +1 :               0.00027816916043
                4p
                   -1 :               0.00037524991844
                   +0 :               0.00059438158459
                   +1 :               0.00007108057935
                3d
                   -2 :               0.00046276720666
                   -1 :              -0.00044447288632
                   +0 :               0.00189833478021
                   +1 :              -0.00001828803059
                   +2 :               0.00174170437376
              3 vec=     7.570617     -1.376312      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00046103563503
                2p
                   -1 :              -0.00000083124926
                   +0 :               0.00023083307233
                   +1 :               0.00084325243006
                3s
                   +0 :              -0.00217972666187
                4s
                   +0 :               0.00093612140204
                3p
                   -1 :               0.00132447654129
                   +0 :              -0.00082270064792
                   +1 :              -0.00461133713426
                4p
                   -1 :              -0.00067262945211
                   +0 :               0.00016245491086
                   +1 :               0.00128646070100
                3d
                   -2 :              -0.00000487587748
                   -1 :               0.00025935511914
                   +0 :               0.00013720452062
                   +1 :              -0.00063585380188
                   +2 :              -0.00060573644828
              4 vec=    -7.989708     -1.376312      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00004974962605
                2p
                   -1 :              -0.00065543798319
                   +0 :               0.00040596308712
                   +1 :              -0.00006978736823
                3s
                   +0 :              -0.00012800847897
                4s
                   +0 :               0.00029670742679
                3p
                   -1 :               0.00303484544796
                   +0 :              -0.00225990127792
                   +1 :               0.00074744482851
                4p
                   -1 :              -0.00059229001645
                   +0 :               0.00080416607871
                   +1 :              -0.00059173534944
                3d
                   -2 :              -0.00022529462627
                   -1 :               0.00009438070148
                   +0 :              -0.00028678494603
                   +1 :               0.00058943962282
                   +2 :              -0.00020306303573
              5 vec=     7.570617      7.607446      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00029239701591
                2p
                   -1 :               0.00003515750878
                   +0 :               0.00002267072910
                   +1 :               0.00021207324603
                3s
                   +0 :              -0.00079062425774
                4s
                   +0 :               0.00025009593053
                3p
                   -1 :               0.00006500123926
                   +0 :              -0.00009346549259
                   +1 :              -0.00091409504499
                4p
                   -1 :              -0.00010979404311
                   +0 :               0.00009650123317
                   +1 :               0.00023743215521
                3d
                   -2 :              -0.00000914279020
                   -1 :               0.00005977815282
                   +0 :              -0.00000709236223
                   +1 :              -0.00017078669279
                   +2 :              -0.00015740408578
              6 vec=    -7.989708      7.607446      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00001360136272
                2p
                   -1 :               0.00011086743286
                   +0 :              -0.00001657576767
                   +1 :               0.00007658367329
                3s
                   +0 :               0.00029609528757
                4s
                   +0 :               0.00018185822303
                3p
                   -1 :              -0.00038743693123
                   +0 :               0.00008916421501
                   +1 :              -0.00078220989174
                4p
                   -1 :               0.00021990452177
                   +0 :               0.00002490945228
                   +1 :               0.00003466294043
                3d
                   -2 :              -0.00018570460725
                   -1 :              -0.00004858623435
                   +0 :              -0.00010343176080
                   +1 :              -0.00012800449448
                   +2 :               0.00016017954970
              7 vec=    -0.209546     12.099325      5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00028304692589
                2p
                   -1 :               0.00005775873575
                   +0 :              -0.00003446335935
                   +1 :              -0.00002397815516
                3s
                   +0 :              -0.00092359108960
                4s
                   +0 :               0.00028352740299
                3p
                   -1 :              -0.00041805694286
                   +0 :               0.00011986645406
                   +1 :               0.00012988012632
                4p
                   -1 :               0.00015012373186
                   +0 :              -0.00005849843536
                   +1 :              -0.00001331410876
                3d
                   -2 :              -0.00002039993256
                   -1 :               0.00005505470864
                   +0 :               0.00008706186436
                   +1 :              -0.00011263677303
                   +2 :              -0.00008591609648
              8 vec=     7.570617    -10.360070      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00000421090148
                2p
                   -1 :               0.00003355699539
                   +0 :              -0.00001645194753
                   +1 :              -0.00010807456638
                3s
                   +0 :              -0.00028441547101
                4s
                   +0 :               0.00010985378554
                3p
                   -1 :               0.00012469186389
                   +0 :               0.00002411962287
                   +1 :               0.00054116658076
                4p
                   -1 :              -0.00003149533987
                   +0 :               0.00000696514711
                   +1 :              -0.00013030124961
                3d
                   -2 :              -0.00007768193580
                   -1 :              -0.00005796482263
                   +0 :              -0.00001072228682
                   +1 :               0.00015487322660
                   +2 :               0.00006364834589
              9 vec=    -7.989708    -10.360070      5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00006739990483
                2p
                   -1 :               0.00007665935861
                   +0 :              -0.00006604069156
                   +1 :               0.00004812643137
                3s
                   +0 :              -0.00033046516266
                4s
                   +0 :               0.00008751307893
                3p
                   -1 :              -0.00043485195124
                   +0 :               0.00029215940839
                   +1 :              -0.00014866791885
                4p
                   -1 :               0.00009572044932
                   +0 :              -0.00001419676504
                   +1 :               0.00001442540332
                3d
                   -2 :               0.00012480789453
                   -1 :              -0.00005397040091
                   +0 :              -0.00008267414788
                   +1 :              -0.00018306196788
                   +2 :              -0.00013241905640
             10 vec=    -0.209546    -14.851949      5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00018259866940
                2p
                   -1 :               0.00014986518578
                   +0 :              -0.00000520064269
                   +1 :              -0.00001237895477
                3s
                   +0 :               0.00056553595186
                4s
                   +0 :              -0.00018762481659
                3p
                   -1 :              -0.00074875248757
                   +0 :              -0.00012042532777
                   +1 :               0.00007197623269
                4p
                   -1 :               0.00017327634544
                   +0 :               0.00007548952084
                   +1 :              -0.00002749045911
                3d
                   -2 :              -0.00002753710715
                   -1 :              -0.00004292494532
                   +0 :              -0.00008708959383
                   +1 :              -0.00000187512396
                   +2 :              -0.00015245873724
             11 vec=    15.350780      3.115567      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00001962075021
                2p
                   -1 :              -0.00001589305413
                   +0 :              -0.00002419374683
                   +1 :              -0.00004000510646
                3s
                   +0 :               0.00016578944049
                4s
                   +0 :              -0.00002037409704
                3p
                   -1 :               0.00012376510986
                   +0 :               0.00011717309155
                   +1 :               0.00022949490183
                4p
                   -1 :              -0.00004077606008
                   +0 :              -0.00001602652402
                   +1 :              -0.00003373865349
                3d
                   -2 :               0.00004498536603
                   -1 :               0.00002873047236
                   +0 :               0.00000245390580
                   +1 :               0.00005063226828
                   +2 :               0.00003650654709
             12 vec=   -15.769871      3.115567      5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00002620200758
                2p
                   -1 :               0.00002223305748
                   +0 :              -0.00001609619383
                   +1 :               0.00003034814363
                3s
                   +0 :               0.00020179643519
                4s
                   +0 :              -0.00004436068856
                3p
                   -1 :              -0.00009685170380
                   +0 :               0.00010821135973
                   +1 :              -0.00021185381431
                4p
                   -1 :               0.00004980558849
                   +0 :              -0.00002130160668
                   +1 :               0.00005190799985
                3d
                   -2 :              -0.00003417593039
                   -1 :               0.00001444217593
                   +0 :               0.00001739196069
                   +1 :              -0.00005076918416
                   +2 :               0.00001711226131
             13 vec=    15.350780     -5.868191      5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00003107644976
                2p
                   -1 :              -0.00000705654318
                   +0 :               0.00001891897814
                   +1 :              -0.00000217380807
                3s
                   +0 :               0.00000522720877
                4s
                   +0 :               0.00004318252179
                3p
                   -1 :               0.00006518489448
                   +0 :              -0.00010334715220
                   +1 :              -0.00005114603421
                4p
                   -1 :              -0.00004182142793
                   +0 :               0.00002396897971
                   +1 :               0.00003411039799
                3d
                   -2 :               0.00000213225885
                   -1 :               0.00000703838878
                   +0 :              -0.00001203742115
                   +1 :              -0.00001516557947
                   +2 :               0.00000258643444
             14 vec=   -15.769871     -5.868191      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00001385585345
                2p
                   -1 :              -0.00001663429909
                   +0 :               0.00001197626604
                   +1 :               0.00001184460917
                3s
                   +0 :              -0.00006384358520
                4s
                   +0 :               0.00004208788660
                3p
                   -1 :               0.00006289604418
                   +0 :              -0.00002758560153
                   +1 :               0.00004058702610
                4p
                   -1 :              -0.00001010068819
                   +0 :              -0.00000750050944
                   +1 :              -0.00003085707371
                3d
                   -2 :               0.00000452511900
                   -1 :               0.00001374038985
                   +0 :               0.00000360827491
                   +1 :              -0.00000329434437
                   +2 :               0.00000795860531
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al(  7)  npairs=  13
              1 vec=    -0.209546      3.115567     -6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00138264694854
                2p
                   -1 :              -0.00026321053948
                   +0 :               0.00123475802946
                   +1 :              -0.00001225446660
                3s
                   +0 :               0.00471922320353
                4s
                   +0 :              -0.00251563109019
                3p
                   -1 :               0.00238435327863
                   +0 :              -0.00133588747328
                   +1 :               0.00037493286456
                4p
                   -1 :              -0.00106536494617
                   +0 :               0.00134959905429
                   +1 :              -0.00034757228961
                3d
                   -2 :              -0.00085640021020
                   -1 :               0.00132876702467
                   +0 :              -0.00111872114525
                   +1 :               0.00022557554810
                   +2 :               0.00015684506562
              2 vec=    -0.209546     -5.868191     -6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00182879829487
                2p
                   -1 :               0.00002296482983
                   +0 :              -0.00034570207340
                   +1 :               0.00000062992215
                3s
                   +0 :              -0.01744001075604
                4s
                   +0 :               0.00219010526718
                3p
                   -1 :               0.00682254483460
                   +0 :               0.00923713970846
                   +1 :               0.00028065562029
                4p
                   -1 :               0.00042807431834
                   +0 :              -0.00062313938349
                   +1 :               0.00000349964877
                3d
                   -2 :               0.00046322159197
                   -1 :              -0.00305671144173
                   +0 :              -0.00077255175966
                   +1 :              -0.00003291891671
                   +2 :               0.00219845922167
              3 vec=     7.570617     -1.376312     -6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00134410163779
                2p
                   -1 :              -0.00026161823086
                   +0 :              -0.00045535079984
                   +1 :               0.00076892186046
                3s
                   +0 :              -0.00599033844632
                4s
                   +0 :               0.00267045203053
                3p
                   -1 :               0.00140388207334
                   +0 :               0.00352444507615
                   +1 :              -0.00457669829112
                4p
                   -1 :              -0.00045973050096
                   +0 :              -0.00105015605633
                   +1 :               0.00153857488489
                3d
                   -2 :               0.00030494124784
                   -1 :              -0.00033001003132
                   +0 :               0.00022855898820
                   +1 :               0.00085706619771
                   +2 :              -0.00075692378565
              4 vec=    -7.989708     -1.376312     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00040124719413
                2p
                   -1 :               0.00004307082896
                   +0 :               0.00002022898484
                   +1 :              -0.00033774573256
                3s
                   +0 :              -0.00179917461779
                4s
                   +0 :               0.00075178623060
                3p
                   -1 :              -0.00023659163720
                   +0 :               0.00077085159086
                   +1 :               0.00213989104163
                4p
                   -1 :              -0.00002659542190
                   +0 :              -0.00021883227122
                   +1 :              -0.00066783232296
                3d
                   -2 :               0.00001002822772
                   -1 :               0.00047768883649
                   +0 :               0.00030216665321
                   +1 :              -0.00052896831940
                   +2 :              -0.00034253021770
              5 vec=     7.570617      7.607446     -6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00001375643111
                2p
                   -1 :               0.00016984161610
                   +0 :               0.00010046493974
                   +1 :               0.00011984924667
                3s
                   +0 :               0.00112017206707
                4s
                   +0 :              -0.00039564952756
                3p
                   -1 :              -0.00067824299881
                   +0 :              -0.00108496050350
                   +1 :               0.00000634715066
                4p
                   -1 :               0.00025098978302
                   +0 :               0.00022090200090
                   +1 :               0.00002369271895
                3d
                   -2 :               0.00002852223805
                   -1 :              -0.00009283783633
                   +0 :               0.00017555486144
                   +1 :              -0.00015869628808
                   +2 :               0.00000783643116
              6 vec=    -7.989708      7.607446     -6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00022426448302
                2p
                   -1 :               0.00001591453065
                   +0 :              -0.00009777300386
                   +1 :              -0.00006601032282
                3s
                   +0 :               0.00157789855538
                4s
                   +0 :              -0.00019492874659
                3p
                   -1 :               0.00024905593937
                   +0 :              -0.00023033572426
                   +1 :              -0.00014372920486
                4p
                   -1 :              -0.00002239211812
                   +0 :              -0.00000195828289
                   +1 :              -0.00013722474460
                3d
                   -2 :              -0.00023788045761
                   -1 :              -0.00002174129853
                   +0 :              -0.00011175058316
                   +1 :               0.00005230067337
                   +2 :               0.00005173936370
              7 vec=    -0.209546     12.099325     -6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00003671356673
                2p
                   -1 :              -0.00013004927422
                   +0 :              -0.00003048580224
                   +1 :               0.00020386202961
                3s
                   +0 :               0.00078306978999
                4s
                   +0 :              -0.00054420026893
                3p
                   -1 :               0.00127927340768
                   +0 :              -0.00002131593787
                   +1 :              -0.00074532830630
                4p
                   -1 :              -0.00059322551349
                   +0 :               0.00011085820817
                   +1 :               0.00011862447227
                3d
                   -2 :               0.00010618362427
                   -1 :              -0.00001752060992
                   +0 :              -0.00008064902653
                   +1 :              -0.00001243821591
                   +2 :              -0.00015435216828
              8 vec=     7.570617    -10.360070     -6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00021678929134
                2p
                   -1 :              -0.00008197288521
                   +0 :              -0.00014111705545
                   +1 :              -0.00006286730595
                3s
                   +0 :              -0.00087398713379
                4s
                   +0 :               0.00017402297755
                3p
                   -1 :               0.00034976608388
                   +0 :               0.00069026731063
                   +1 :               0.00033363672447
                4p
                   -1 :              -0.00003762383496
                   +0 :              -0.00010719881617
                   +1 :              -0.00016789928184
                3d
                   -2 :              -0.00008642249703
                   -1 :              -0.00013804778330
                   +0 :              -0.00006601326402
                   +1 :              -0.00003049641066
                   +2 :              -0.00000538042792
              9 vec=    -7.989708    -10.360070     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00008745828320
                2p
                   -1 :               0.00006751531635
                   +0 :               0.00003134720246
                   +1 :              -0.00001143513150
                3s
                   +0 :               0.00015446277769
                4s
                   +0 :               0.00003374727810
                3p
                   -1 :              -0.00039852358129
                   +0 :              -0.00007110315349
                   +1 :               0.00014196614217
                4p
                   -1 :               0.00005481002705
                   +0 :              -0.00002376242971
                   +1 :              -0.00004720677676
                3d
                   -2 :              -0.00001740206112
                   -1 :               0.00008356781292
                   +0 :              -0.00002818674504
                   +1 :              -0.00003362800336
                   +2 :              -0.00005199496704
             10 vec=    -0.209546    -14.851949     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00016218200445
                2p
                   -1 :              -0.00005720757787
                   +0 :              -0.00006869685544
                   +1 :              -0.00001916478945
                3s
                   +0 :              -0.00055336417939
                4s
                   +0 :               0.00009028021317
                3p
                   -1 :               0.00020520584752
                   +0 :               0.00031922742013
                   +1 :               0.00012509133355
                4p
                   -1 :               0.00000610112772
                   +0 :              -0.00006684870426
                   +1 :              -0.00004581058065
                3d
                   -2 :              -0.00003240788274
                   -1 :              -0.00006484368552
                   +0 :              -0.00002703738849
                   +1 :               0.00001197088977
                   +2 :               0.00000977818574
             11 vec=    15.350780      3.115567     -6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00002817959012
                2p
                   -1 :              -0.00002761760676
                   +0 :               0.00001737874376
                   +1 :              -0.00001911137721
                3s
                   +0 :               0.00012458005574
                4s
                   +0 :              -0.00004608702695
                3p
                   -1 :               0.00013794631955
                   +0 :              -0.00008293116953
                   +1 :               0.00010356881295
                4p
                   -1 :              -0.00003210754142
                   +0 :               0.00001147689490
                   +1 :              -0.00002911453270
                3d
                   -2 :               0.00003496286848
                   -1 :              -0.00002293632792
                   +0 :              -0.00001285850348
                   +1 :              -0.00000433488414
                   +2 :              -0.00005326895391
             12 vec=   -15.769871      3.115567     -6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00005771137866
                2p
                   -1 :              -0.00000970011785
                   +0 :               0.00003514503900
                   +1 :               0.00000808192675
                3s
                   +0 :               0.00023950694087
                4s
                   +0 :              -0.00006782234361
                3p
                   -1 :               0.00004055820223
                   +0 :              -0.00020385343963
                   +1 :              -0.00004131151248
                4p
                   -1 :              -0.00001181391846
                   +0 :               0.00004964823108
                   +1 :              -0.00000343926626
                3d
                   -2 :              -0.00001180778113
                   -1 :              -0.00002341403904
                   +0 :               0.00001580435310
                   +1 :               0.00004385922307
                   +2 :              -0.00002236581909
             13 vec=    15.350780     -5.868191     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00002803545340
                2p
                   -1 :              -0.00001141795368
                   +0 :               0.00000584824148
                   +1 :               0.00001019287065
                3s
                   +0 :              -0.00017156499741
                4s
                   +0 :               0.00007490022166
                3p
                   -1 :               0.00013918627474
                   +0 :              -0.00000157941344
                   +1 :              -0.00008349776255
                4p
                   -1 :              -0.00006633542239
                   +0 :              -0.00001128803127
                   +1 :               0.00002529192890
                3d
                   -2 :               0.00001796570783
                   -1 :               0.00001146939783
                   +0 :              -0.00000357381320
                   +1 :              -0.00002119554394
                   +2 :              -0.00000780260550
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al(  8)  npairs=  15
              1 vec=    -0.209546      3.115567     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00076188674535
                2p
                   -1 :               0.00001372930090
                   +0 :               0.00019000394867
                   +1 :               0.00016614109393
                3s
                   +0 :              -0.00218397550910
                4s
                   +0 :               0.00048978876937
                3p
                   -1 :              -0.00090439802603
                   +0 :              -0.00089388660197
                   +1 :              -0.00085378281217
                4p
                   -1 :              -0.00000598730396
                   +0 :               0.00017208705453
                   +1 :               0.00011155144160
                3d
                   -2 :               0.00010990115888
                   -1 :              -0.00033882379095
                   +0 :               0.00035013785658
                   +1 :              -0.00022381226238
                   +2 :               0.00008109546314
              2 vec=    -0.209546     -5.868191     10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00004375666473
                2p
                   -1 :               0.00006715823874
                   +0 :              -0.00003756409581
                   +1 :              -0.00014549910969
                3s
                   +0 :              -0.00054654114628
                4s
                   +0 :               0.00009685906081
                3p
                   -1 :              -0.00029298665813
                   +0 :               0.00015584469141
                   +1 :               0.00057256045389
                4p
                   -1 :               0.00007806296372
                   +0 :               0.00004133700962
                   +1 :              -0.00025149811531
                3d
                   -2 :               0.00005491408777
                   -1 :              -0.00012045582669
                   +0 :               0.00028449845891
                   +1 :               0.00007328034578
                   +2 :              -0.00028447546532
              3 vec=     7.570617     -1.376312     10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00024338960104
                2p
                   -1 :               0.00002288563630
                   +0 :               0.00015200484116
                   +1 :               0.00030515049134
                3s
                   +0 :               0.00018378857898
                4s
                   +0 :               0.00012668272939
                3p
                   -1 :              -0.00056411730052
                   +0 :               0.00004342299285
                   +1 :              -0.00072346333429
                4p
                   -1 :               0.00012946171493
                   +0 :               0.00010251066887
                   +1 :               0.00022838900226
                3d
                   -2 :              -0.00027132897280
                   -1 :              -0.00016181151319
                   +0 :              -0.00000524633701
                   +1 :              -0.00004319519906
                   +2 :              -0.00009193319952
              4 vec=    -7.989708     -1.376312     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00001242898419
                2p
                   -1 :              -0.00019158949688
                   +0 :               0.00006896599071
                   +1 :              -0.00009409361533
                3s
                   +0 :               0.00058247807949
                4s
                   +0 :               0.00008483496973
                3p
                   -1 :               0.00066936099693
                   +0 :               0.00008372006851
                   +1 :              -0.00016862095557
                4p
                   -1 :              -0.00022201728395
                   +0 :               0.00016964983498
                   +1 :              -0.00006040881243
                3d
                   -2 :               0.00012644562254
                   -1 :               0.00011631747038
                   +0 :              -0.00015492717781
                   +1 :              -0.00011695593304
                   +2 :               0.00019957845732
              5 vec=    -0.209546      3.115567    -13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00014572184421
                2p
                   -1 :               0.00005509328537
                   +0 :              -0.00000326302627
                   +1 :               0.00001435480166
                3s
                   +0 :              -0.00025420743544
                4s
                   +0 :               0.00004384753890
                3p
                   -1 :              -0.00022833976966
                   +0 :              -0.00004645484992
                   +1 :              -0.00009109101742
                4p
                   -1 :               0.00004088870843
                   +0 :               0.00005263469374
                   +1 :               0.00004611807620
                3d
                   -2 :               0.00001222625801
                   -1 :              -0.00002993647964
                   +0 :               0.00002925876564
                   +1 :              -0.00001986199331
                   +2 :              -0.00000104400577
              6 vec=    -0.209546     -5.868191    -13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00004136718303
                2p
                   -1 :               0.00001894981655
                   +0 :              -0.00001410603875
                   +1 :               0.00000675463326
                3s
                   +0 :               0.00016944025952
                4s
                   +0 :               0.00002552245398
                3p
                   -1 :              -0.00023798090181
                   +0 :               0.00003619654205
                   +1 :              -0.00009152294875
                4p
                   -1 :               0.00000257246028
                   +0 :              -0.00004455822952
                   +1 :               0.00002642705895
                3d
                   -2 :               0.00004653154242
                   -1 :               0.00000002145627
                   +0 :              -0.00000557517974
                   +1 :               0.00000830369809
                   +2 :              -0.00005234639437
              7 vec=     7.570617      7.607446     10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00003744916219
                2p
                   -1 :               0.00002293915450
                   +0 :               0.00007507660657
                   +1 :               0.00002016395572
                3s
                   +0 :              -0.00007537783902
                4s
                   +0 :               0.00003505781545
                3p
                   -1 :              -0.00009007159345
                   +0 :              -0.00044516818468
                   +1 :              -0.00017257827119
                4p
                   -1 :               0.00002204279458
                   +0 :               0.00009972190230
                   +1 :               0.00003727948673
                3d
                   -2 :              -0.00008666969609
                   -1 :              -0.00004737273613
                   +0 :              -0.00009886908213
                   +1 :              -0.00008374205177
                   +2 :              -0.00001668149626
              8 vec=    -7.989708      7.607446     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00011914669131
                2p
                   -1 :              -0.00002936878514
                   +0 :              -0.00001319670960
                   +1 :               0.00001410722304
                3s
                   +0 :               0.00049486297429
                4s
                   +0 :              -0.00013213272220
                3p
                   -1 :               0.00012667902394
                   +0 :               0.00005701764604
                   +1 :              -0.00001380666127
                4p
                   -1 :              -0.00002079157620
                   +0 :              -0.00001661763093
                   +1 :              -0.00001863218209
                3d
                   -2 :               0.00002674923867
                   -1 :              -0.00002245000837
                   +0 :               0.00001992067085
                   +1 :               0.00000011175467
                   +2 :              -0.00003107922935
              9 vec=     7.570617     -1.376312    -13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00002390054970
                2p
                   -1 :              -0.00000189946028
                   +0 :               0.00006802371801
                   +1 :              -0.00001426394586
                3s
                   +0 :              -0.00004392007241
                4s
                   +0 :              -0.00004673284228
                3p
                   -1 :              -0.00004834295126
                   +0 :              -0.00037423813584
                   +1 :              -0.00011602731491
                4p
                   -1 :              -0.00002424259765
                   +0 :               0.00012961168911
                   +1 :               0.00000061753452
                3d
                   -2 :              -0.00007883278231
                   -1 :               0.00002549183291
                   +0 :               0.00009477490368
                   +1 :               0.00000108106153
                   +2 :              -0.00004324029313
             10 vec=    -7.989708     -1.376312    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00007099405747
                2p
                   -1 :               0.00004377600709
                   +0 :               0.00003651065294
                   +1 :               0.00001613445099
                3s
                   +0 :              -0.00003445927920
                4s
                   +0 :              -0.00004793504642
                3p
                   -1 :              -0.00035080544301
                   +0 :              -0.00010255230849
                   +1 :               0.00017621342809
                4p
                   -1 :               0.00003557137510
                   +0 :               0.00001433944078
                   +1 :              -0.00002661480280
                3d
                   -2 :               0.00004721679773
                   -1 :              -0.00001587016350
                   +0 :               0.00007295227366
                   +1 :               0.00001247306501
                   +2 :              -0.00003224245806
             11 vec=    -0.209546     12.099325     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00028067344928
                2p
                   -1 :               0.00014303544463
                   +0 :               0.00013708721886
                   +1 :              -0.00002326011954
                3s
                   +0 :              -0.00092754316871
                4s
                   +0 :               0.00031779681478
                3p
                   -1 :              -0.00065136457050
                   +0 :              -0.00065470063366
                   +1 :               0.00015916415756
                4p
                   -1 :               0.00013957180367
                   +0 :               0.00018771761868
                   +1 :              -0.00003893578610
                3d
                   -2 :               0.00006804337273
                   -1 :              -0.00014092007982
                   +0 :              -0.00005287370809
                   +1 :               0.00002508130186
                   +2 :              -0.00000132503104
             12 vec=     7.570617    -10.360070     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00001305084859
                2p
                   -1 :              -0.00000503842258
                   +0 :              -0.00000711568795
                   +1 :              -0.00000103426547
                3s
                   +0 :              -0.00017980765064
                4s
                   +0 :              -0.00001907851071
                3p
                   -1 :               0.00005089122493
                   +0 :              -0.00003038434439
                   +1 :              -0.00002165071291
                4p
                   -1 :               0.00000211950138
                   +0 :              -0.00002646375056
                   +1 :              -0.00002465019921
                3d
                   -2 :               0.00003662069236
                   -1 :               0.00002311936162
                   +0 :               0.00003045711355
                   +1 :               0.00000295614664
                   +2 :              -0.00002492129592
             13 vec=    -7.989708    -10.360070     10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00013377638078
                2p
                   -1 :              -0.00002229363836
                   +0 :               0.00004985447676
                   +1 :              -0.00004457480048
                3s
                   +0 :              -0.00048081049177
                4s
                   +0 :               0.00009894852238
                3p
                   -1 :               0.00004263818837
                   +0 :              -0.00032328333233
                   +1 :               0.00021666398694
                4p
                   -1 :              -0.00000010712020
                   +0 :               0.00005333789509
                   +1 :              -0.00003069249877
                3d
                   -2 :              -0.00000693792898
                   -1 :              -0.00001182176536
                   +0 :              -0.00004481391631
                   +1 :               0.00005110297505
                   +2 :              -0.00001767831876
             14 vec=     7.570617      7.607446    -13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00008429503822
                2p
                   -1 :              -0.00000547931435
                   +0 :               0.00000070574559
                   +1 :              -0.00004555272765
                3s
                   +0 :               0.00038199726871
                4s
                   +0 :              -0.00007799396115
                3p
                   -1 :               0.00004590137545
                   +0 :              -0.00000399031787
                   +1 :               0.00029406794450
                4p
                   -1 :               0.00000609162422
                   +0 :              -0.00001159239463
                   +1 :              -0.00004572053492
                3d
                   -2 :               0.00000338509039
                   -1 :               0.00000084734106
                   +0 :              -0.00004136158520
                   +1 :              -0.00001617668446
                   +2 :               0.00006883694289
             15 vec=    -7.989708      7.607446    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00009412872235
                2p
                   -1 :               0.00004131155237
                   +0 :              -0.00001095031172
                   +1 :              -0.00005473254558
                3s
                   +0 :              -0.00022199888495
                4s
                   +0 :               0.00005837795717
                3p
                   -1 :              -0.00016642849353
                   +0 :               0.00001307832017
                   +1 :               0.00020907828929
                4p
                   -1 :               0.00004390804721
                   +0 :               0.00001582593320
                   +1 :              -0.00002813276552
                3d
                   -2 :               0.00004368824937
                   -1 :               0.00000226851898
                   +0 :               0.00001580694769
                   +1 :              -0.00003055964848
                   +2 :              -0.00000661674745
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al(  9)  npairs=  13
              1 vec=    -2.802933     -1.376312      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00182638543411
                2p
                   -1 :               0.00051701253325
                   +0 :              -0.00024633568486
                   +1 :               0.00020389061619
                3s
                   +0 :               0.00636930442272
                4s
                   +0 :              -0.00166746636131
                3p
                   -1 :              -0.00606837308673
                   +0 :               0.00307562032432
                   +1 :               0.00294729319958
                4p
                   -1 :               0.00011035989722
                   +0 :              -0.00024310326211
                   +1 :              -0.00073991928115
                3d
                   -2 :               0.00050370152619
                   -1 :              -0.00219823356180
                   +0 :               0.00069320911945
                   +1 :               0.00004667499873
                   +2 :              -0.00152695347494
              2 vec=     4.977229      3.115567      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00141346991403
                2p
                   -1 :              -0.00076275534821
                   +0 :              -0.00014036281642
                   +1 :               0.00007869416465
                3s
                   +0 :               0.01302010001706
                4s
                   +0 :              -0.00317895166695
                3p
                   -1 :               0.00735197476803
                   +0 :               0.00595470336325
                   +1 :               0.00374922716426
                4p
                   -1 :              -0.00180373917747
                   +0 :              -0.00085054575942
                   +1 :               0.00003032439777
                3d
                   -2 :               0.00217057099685
                   -1 :               0.00165982645163
                   +0 :               0.00046819626828
                   +1 :               0.00152795744127
                   +2 :              -0.00011059233881
              3 vec=     4.977229     -5.868191      6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00054164819831
                2p
                   -1 :               0.00002715703013
                   +0 :              -0.00045111713846
                   +1 :               0.00008673669143
                3s
                   +0 :               0.00104267460309
                4s
                   +0 :              -0.00019539012118
                3p
                   -1 :              -0.00008397791876
                   +0 :               0.00234059063230
                   +1 :              -0.00131994746453
                4p
                   -1 :              -0.00024368967386
                   +0 :              -0.00046062820022
                   +1 :               0.00027105493465
                3d
                   -2 :               0.00015908839005
                   -1 :              -0.00042676918657
                   +0 :              -0.00000631874107
                   +1 :              -0.00007352362804
                   +2 :              -0.00012873206573
              4 vec=    -2.802933      7.607446      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00148529328541
                2p
                   -1 :              -0.00045142104387
                   +0 :              -0.00033796226889
                   +1 :               0.00035004631850
                3s
                   +0 :               0.00618296153442
                4s
                   +0 :              -0.00209053392107
                3p
                   -1 :               0.00285714345321
                   +0 :               0.00252466597603
                   +1 :              -0.00170605222480
                4p
                   -1 :              -0.00072281043514
                   +0 :              -0.00064830485184
                   +1 :               0.00045572033085
                3d
                   -2 :              -0.00061447506358
                   -1 :               0.00035239953233
                   +0 :               0.00024651336866
                   +1 :              -0.00055830244066
                   +2 :              -0.00005066631459
              5 vec=    -2.802933    -10.360070      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00041764013935
                2p
                   -1 :               0.00033572370431
                   +0 :              -0.00019304065651
                   +1 :              -0.00003589320003
                3s
                   +0 :               0.00093243562895
                4s
                   +0 :              -0.00039167127863
                3p
                   -1 :              -0.00142074520354
                   +0 :               0.00061069323472
                   +1 :               0.00012248973152
                4p
                   -1 :               0.00042111860044
                   +0 :              -0.00024956567930
                   +1 :              -0.00003032034004
                3d
                   -2 :              -0.00011210456072
                   -1 :              -0.00013572952170
                   +0 :              -0.00004618777866
                   +1 :               0.00005519948173
                   +2 :              -0.00005977856776
              6 vec=   -10.583096      3.115567      6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00007498424619
                2p
                   -1 :               0.00001443973107
                   +0 :              -0.00016875130678
                   +1 :               0.00003327050285
                3s
                   +0 :               0.00024985631732
                4s
                   +0 :              -0.00010047443492
                3p
                   -1 :              -0.00020394251659
                   +0 :               0.00080156530610
                   +1 :              -0.00005250429284
                4p
                   -1 :               0.00011145946253
                   +0 :              -0.00018067730833
                   +1 :               0.00001394996169
                3d
                   -2 :               0.00014430449163
                   -1 :               0.00010754331462
                   +0 :               0.00022066520758
                   +1 :              -0.00020356489219
                   +2 :              -0.00004230645618
              7 vec=   -10.583096     -5.868191      6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00000202260627
                2p
                   -1 :               0.00012683974471
                   +0 :               0.00002309089105
                   +1 :              -0.00015709938167
                3s
                   +0 :              -0.00028870661421
                4s
                   +0 :               0.00021010378735
                3p
                   -1 :              -0.00029817141242
                   +0 :              -0.00015523243970
                   +1 :               0.00092776761979
                4p
                   -1 :              -0.00001998347597
                   +0 :               0.00008253590453
                   +1 :              -0.00034200596844
                3d
                   -2 :              -0.00010445541272
                   -1 :              -0.00010694196082
                   +0 :               0.00007396753971
                   +1 :               0.00008213353293
                   +2 :               0.00004868738183
              8 vec=    12.757392     -1.376312      6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00001087397794
                2p
                   -1 :              -0.00008718900632
                   +0 :               0.00002480027971
                   +1 :               0.00002764153406
                3s
                   +0 :              -0.00019271067260
                4s
                   +0 :               0.00020058198654
                3p
                   -1 :               0.00042206419282
                   +0 :              -0.00023407253701
                   +1 :              -0.00039053482585
                4p
                   -1 :              -0.00013864641926
                   +0 :               0.00008174221037
                   +1 :               0.00021432890909
                3d
                   -2 :               0.00005079013865
                   -1 :               0.00004715327260
                   +0 :               0.00002343487784
                   +1 :              -0.00000876805717
                   +2 :              -0.00010645061013
              9 vec=     4.977229     12.099325      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00008729582894
                2p
                   -1 :               0.00001653567481
                   +0 :               0.00003306913690
                   +1 :               0.00007461242416
                3s
                   +0 :              -0.00008843541754
                4s
                   +0 :              -0.00006831743688
                3p
                   -1 :              -0.00000184936280
                   +0 :              -0.00003136020633
                   +1 :              -0.00048332669682
                4p
                   -1 :              -0.00003973426363
                   +0 :              -0.00005464400377
                   +1 :               0.00010792913057
                3d
                   -2 :              -0.00007721414964
                   -1 :              -0.00005569274886
                   +0 :               0.00009270514961
                   +1 :              -0.00002194704928
                   +2 :              -0.00011381985464
             10 vec=    12.757392      7.607446      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00010874277781
                2p
                   -1 :              -0.00003699900871
                   +0 :              -0.00002041663799
                   +1 :              -0.00001638242920
                3s
                   +0 :               0.00034367989944
                4s
                   +0 :              -0.00008845520228
                3p
                   -1 :               0.00017676466203
                   +0 :               0.00008792240814
                   +1 :               0.00003656727658
                4p
                   -1 :              -0.00004259306500
                   +0 :              -0.00002463498074
                   +1 :               0.00000293942442
                3d
                   -2 :               0.00002123169247
                   -1 :               0.00001773185314
                   +0 :               0.00001106327721
                   +1 :               0.00000291914909
                   +2 :              -0.00003537248372
             11 vec=     4.977229    -14.851949      6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00009259747275
                2p
                   -1 :              -0.00002896069396
                   +0 :               0.00002884126175
                   +1 :              -0.00001359458428
                3s
                   +0 :              -0.00055474695149
                4s
                   +0 :               0.00013064481630
                3p
                   -1 :               0.00023612062779
                   +0 :              -0.00026213970262
                   +1 :               0.00004039135535
                4p
                   -1 :              -0.00002584625357
                   +0 :               0.00004027601244
                   +1 :              -0.00000635799048
                3d
                   -2 :              -0.00001712988225
                   -1 :               0.00008228096809
                   +0 :              -0.00002597463050
                   +1 :              -0.00000083106879
                   +2 :               0.00003054940198
             12 vec=   -10.583096     12.099325      6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00000940699780
                2p
                   -1 :               0.00002115260564
                   +0 :               0.00002103507436
                   +1 :              -0.00001499970902
                3s
                   +0 :               0.00007005231521
                4s
                   +0 :               0.00000040215922
                3p
                   -1 :              -0.00010301232191
                   +0 :              -0.00005192823284
                   +1 :               0.00002064034953
                4p
                   -1 :               0.00003413878963
                   +0 :               0.00002742536183
                   +1 :              -0.00000671263520
                3d
                   -2 :              -0.00001981765625
                   -1 :              -0.00001517585526
                   +0 :              -0.00000518019701
                   +1 :               0.00000937429563
                   +2 :               0.00000658594856
             13 vec=    12.757392    -10.360070      6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00002368669586
                2p
                   -1 :               0.00002888168262
                   +0 :               0.00000099624539
                   +1 :               0.00000908138252
                3s
                   +0 :              -0.00010110404907
                4s
                   +0 :               0.00001412580121
                3p
                   -1 :              -0.00014099410970
                   +0 :               0.00000499535229
                   +1 :              -0.00001888478307
                4p
                   -1 :               0.00003464106084
                   +0 :              -0.00000186207760
                   +1 :              -0.00001609578596
                3d
                   -2 :               0.00000404428560
                   -1 :              -0.00001675371176
                   +0 :              -0.00001815045487
                   +1 :               0.00000244196761
                   +2 :               0.00000163185265
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al( 10)  npairs=  15
              1 vec=    -2.802933     -1.376312    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00054975062707
                2p
                   -1 :               0.00001842399997
                   +0 :               0.00014120185244
                   +1 :              -0.00027092750239
                3s
                   +0 :               0.00177492258954
                4s
                   +0 :              -0.00035427545584
                3p
                   -1 :              -0.00084357076855
                   +0 :              -0.00053566650627
                   +1 :               0.00086952883883
                4p
                   -1 :              -0.00001777159774
                   +0 :              -0.00002952638114
                   +1 :              -0.00027112118906
                3d
                   -2 :               0.00001603444288
                   -1 :               0.00023901862235
                   +0 :              -0.00032433281855
                   +1 :               0.00001629838485
                   +2 :               0.00030865758576
              2 vec=     4.977229      3.115567    -10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00037196737024
                2p
                   -1 :              -0.00034657514238
                   +0 :               0.00010114899536
                   +1 :               0.00003550918287
                3s
                   +0 :               0.00123696453776
                4s
                   +0 :              -0.00019573176549
                3p
                   -1 :               0.00172095719431
                   +0 :              -0.00032984450237
                   +1 :              -0.00027098999199
                4p
                   -1 :              -0.00031575508262
                   +0 :               0.00003393054771
                   +1 :               0.00008365540592
                3d
                   -2 :              -0.00001977255248
                   -1 :              -0.00037344723905
                   +0 :              -0.00026080232583
                   +1 :               0.00015915294241
                   +2 :              -0.00017887778386
              3 vec=     4.977229     -5.868191    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00010336087452
                2p
                   -1 :               0.00004693012618
                   +0 :               0.00002574660460
                   +1 :              -0.00010005880723
                3s
                   +0 :              -0.00157391333678
                4s
                   +0 :               0.00017555007316
                3p
                   -1 :               0.00040342122968
                   +0 :               0.00084117376410
                   +1 :              -0.00027636047591
                4p
                   -1 :              -0.00002495766207
                   +0 :               0.00000189733469
                   +1 :              -0.00010955972374
                3d
                   -2 :               0.00013738181766
                   -1 :              -0.00018092069848
                   +0 :              -0.00005840764526
                   +1 :               0.00016903383087
                   +2 :              -0.00003427277022
              4 vec=    -2.802933      7.607446    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00015391671551
                2p
                   -1 :              -0.00013983818970
                   +0 :              -0.00006869496836
                   +1 :              -0.00009280284484
                3s
                   +0 :               0.00035113004790
                4s
                   +0 :              -0.00016007699159
                3p
                   -1 :               0.00102917091094
                   +0 :              -0.00041592266738
                   +1 :               0.00030808540546
                4p
                   -1 :              -0.00017434603434
                   +0 :               0.00018912980481
                   +1 :               0.00003286699892
                3d
                   -2 :              -0.00000154603926
                   -1 :              -0.00024751261062
                   +0 :               0.00028225840218
                   +1 :              -0.00023782217507
                   +2 :              -0.00009692192424
              5 vec=    -2.802933     -1.376312     13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00002851158920
                2p
                   -1 :               0.00004978587783
                   +0 :               0.00003295798763
                   +1 :              -0.00001476862354
                3s
                   +0 :              -0.00006585721229
                4s
                   +0 :               0.00002019415228
                3p
                   -1 :              -0.00025700842945
                   +0 :              -0.00022061858496
                   +1 :               0.00001665971014
                4p
                   -1 :               0.00009509263020
                   +0 :               0.00007934982050
                   +1 :              -0.00002130745748
                3d
                   -2 :              -0.00007280368364
                   -1 :               0.00000881960269
                   +0 :              -0.00002538615988
                   +1 :               0.00002846123197
                   +2 :              -0.00006955781885
              6 vec=     4.977229      3.115567     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00000739664430
                2p
                   -1 :              -0.00001859853559
                   +0 :               0.00002698586502
                   +1 :              -0.00004250587336
                3s
                   +0 :               0.00008106061645
                4s
                   +0 :              -0.00002663419307
                3p
                   -1 :               0.00005762139556
                   +0 :              -0.00018858760172
                   +1 :               0.00019908275599
                4p
                   -1 :              -0.00002696669805
                   +0 :               0.00003109774718
                   +1 :              -0.00005421123359
                3d
                   -2 :               0.00003104154295
                   -1 :              -0.00001410889681
                   +0 :              -0.00005826466503
                   +1 :               0.00000271979459
                   +2 :               0.00002226652311
              7 vec=    -2.802933    -10.360070    -10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00000288033705
                2p
                   -1 :              -0.00000923689473
                   +0 :               0.00004234636017
                   +1 :               0.00005998231367
                3s
                   +0 :              -0.00015770713901
                4s
                   +0 :              -0.00001598747940
                3p
                   -1 :               0.00005233218131
                   +0 :              -0.00013792824830
                   +1 :              -0.00010064478956
                4p
                   -1 :              -0.00000154029513
                   +0 :               0.00004743865316
                   +1 :               0.00004839304324
                3d
                   -2 :              -0.00004168539228
                   -1 :               0.00003890387186
                   +0 :               0.00000387982623
                   +1 :              -0.00001366267037
                   +2 :              -0.00002751401246
              8 vec=   -10.583096      3.115567    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00011887131657
                2p
                   -1 :              -0.00000279555571
                   +0 :              -0.00005332279505
                   +1 :              -0.00001619551481
                3s
                   +0 :              -0.00019972138031
                4s
                   +0 :               0.00002280869362
                3p
                   -1 :              -0.00004967741356
                   +0 :               0.00019584278433
                   +1 :              -0.00016279203517
                4p
                   -1 :              -0.00001234824087
                   +0 :              -0.00005168144536
                   +1 :               0.00010316160932
                3d
                   -2 :              -0.00000578248409
                   -1 :               0.00004199729730
                   +0 :              -0.00001132984698
                   +1 :               0.00002347455378
                   +2 :               0.00005003575240
              9 vec=     4.977229     -5.868191     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00002955853449
                2p
                   -1 :               0.00000804043846
                   +0 :               0.00004057312245
                   +1 :               0.00000067933599
                3s
                   +0 :              -0.00002182796611
                4s
                   +0 :               0.00005084320873
                3p
                   -1 :              -0.00006863114267
                   +0 :              -0.00029659911911
                   +1 :               0.00000707177569
                4p
                   -1 :              -0.00001379120621
                   +0 :               0.00012747644908
                   +1 :               0.00001460574062
                3d
                   -2 :              -0.00003927376938
                   -1 :               0.00001986308789
                   +0 :              -0.00006993583336
                   +1 :              -0.00001808684379
                   +2 :              -0.00003310228998
             10 vec=    -2.802933      7.607446     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00002240564757
                2p
                   -1 :               0.00002076230366
                   +0 :               0.00003691132776
                   +1 :               0.00001662513438
                3s
                   +0 :               0.00010499581574
                4s
                   +0 :              -0.00003251211371
                3p
                   -1 :              -0.00002692474114
                   +0 :              -0.00013035143417
                   +1 :              -0.00012041292099
                4p
                   -1 :              -0.00001407692914
                   +0 :               0.00001183250844
                   +1 :               0.00001279601620
                3d
                   -2 :              -0.00002274437469
                   -1 :              -0.00001378430534
                   +0 :              -0.00005109244980
                   +1 :               0.00000989167166
                   +2 :               0.00003447491635
             11 vec=   -10.583096     -5.868191    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00019089688410
                2p
                   -1 :               0.00003859212777
                   +0 :               0.00009883814319
                   +1 :               0.00007301251393
                3s
                   +0 :               0.00065021011559
                4s
                   +0 :              -0.00023491687625
                3p
                   -1 :              -0.00015703874414
                   +0 :              -0.00048376968938
                   +1 :              -0.00033291040082
                4p
                   -1 :               0.00004015676359
                   +0 :               0.00014770709046
                   +1 :               0.00006215743110
                3d
                   -2 :              -0.00000480503283
                   -1 :               0.00005742587544
                   +0 :               0.00006143353230
                   +1 :               0.00008868242557
                   +2 :               0.00002792673355
             12 vec=    12.757392     -1.376312    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00005120921491
                2p
                   -1 :              -0.00001456129917
                   +0 :               0.00004794594794
                   +1 :              -0.00003313703326
                3s
                   +0 :               0.00025999731887
                4s
                   +0 :              -0.00009354966789
                3p
                   -1 :               0.00007170872038
                   +0 :              -0.00028833744179
                   +1 :               0.00016652009114
                4p
                   -1 :              -0.00002675062991
                   +0 :               0.00007698347296
                   +1 :              -0.00005017372237
                3d
                   -2 :               0.00004927446849
                   -1 :              -0.00002335753641
                   +0 :               0.00007357500930
                   +1 :              -0.00006070206800
                   +2 :               0.00003711194363
             13 vec=     4.977229     12.099325    -10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00011325381613
                2p
                   -1 :              -0.00002956640188
                   +0 :               0.00004094861464
                   +1 :               0.00004389464363
                3s
                   +0 :               0.00044535706298
                4s
                   +0 :              -0.00008185368282
                3p
                   -1 :               0.00010944930563
                   +0 :              -0.00026452893865
                   +1 :              -0.00030164846046
                4p
                   -1 :               0.00001820355246
                   +0 :               0.00003711757340
                   +1 :               0.00011693306258
                3d
                   -2 :              -0.00005163680490
                   -1 :              -0.00001700991769
                   +0 :               0.00006901834926
                   +1 :               0.00000097115223
                   +2 :              -0.00002485724801
             14 vec=    -2.802933    -10.360070     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00003884913642
                2p
                   -1 :              -0.00001793278318
                   +0 :               0.00000795598423
                   +1 :               0.00001641198005
                3s
                   +0 :              -0.00039431153015
                4s
                   +0 :               0.00005155233747
                3p
                   -1 :               0.00026531607438
                   +0 :              -0.00010658595973
                   +1 :              -0.00006073238982
                4p
                   -1 :              -0.00001278892801
                   +0 :               0.00004204363129
                   +1 :               0.00001451384889
                3d
                   -2 :               0.00000946883360
                   -1 :               0.00002038933358
                   +0 :               0.00004460576710
                   +1 :              -0.00001326449834
                   +2 :               0.00005858797469
             15 vec=   -10.583096      3.115567     13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00001472671550
                2p
                   -1 :               0.00000296865592
                   +0 :               0.00002309030657
                   +1 :               0.00001224557598
                3s
                   +0 :               0.00006667847559
                4s
                   +0 :               0.00001067983007
                3p
                   -1 :              -0.00003789059270
                   +0 :              -0.00013460166029
                   +1 :              -0.00009117649628
                4p
                   -1 :               0.00000884173648
                   +0 :               0.00004363309006
                   +1 :               0.00000049962671
                3d
                   -2 :               0.00001027128061
                   -1 :              -0.00003128159875
                   +0 :              -0.00003062827412
                   +1 :               0.00002060893239
                   +2 :               0.00003184575265
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al( 11)  npairs=  14
              1 vec=    -2.802933     -1.376312      1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02108841111419
                2p
                   -1 :               0.00303573285638
                   +0 :              -0.01257488670263
                   +1 :               0.01998081041679
                3s
                   +0 :              -0.03500443288355
                4s
                   +0 :              -0.01152032811075
                3p
                   -1 :              -0.02881580549937
                   +0 :              -0.02424673355575
                   +1 :               0.03764678717839
                4p
                   -1 :               0.00626272358033
                   +0 :              -0.00600770464416
                   +1 :               0.01037298566885
                3d
                   -2 :               0.00749702840519
                   -1 :              -0.00316127780068
                   +0 :              -0.00375358063856
                   +1 :               0.02980029937004
                   +2 :              -0.03271390892634
              2 vec=     4.977229      3.115567      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00151145604646
                2p
                   -1 :               0.00057542378247
                   +0 :              -0.00140362949218
                   +1 :              -0.00068826551427
                3s
                   +0 :              -0.00156748162745
                4s
                   +0 :              -0.00177358440983
                3p
                   -1 :              -0.00427774742493
                   +0 :               0.00824322495501
                   +1 :               0.00350986578442
                4p
                   -1 :               0.00186698079410
                   +0 :              -0.00284580242827
                   +1 :              -0.00156290344689
                3d
                   -2 :               0.00396234829388
                   -1 :               0.00139840006250
                   +0 :              -0.00177941164583
                   +1 :               0.00203494568757
                   +2 :               0.00108552554218
              3 vec=     4.977229     -5.868191      1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00015166096683
                2p
                   -1 :              -0.00027843052097
                   +0 :               0.00057992787595
                   +1 :               0.00033280404856
                3s
                   +0 :              -0.01470853160845
                4s
                   +0 :               0.00017287023868
                3p
                   -1 :               0.00181987225974
                   +0 :              -0.01191425228949
                   +1 :              -0.00970978937648
                4p
                   -1 :              -0.00015075312367
                   +0 :               0.00091267075419
                   +1 :              -0.00009331372574
                3d
                   -2 :               0.00085163138436
                   -1 :               0.00230577619076
                   +0 :              -0.00092482780198
                   +1 :              -0.00435054571750
                   +2 :              -0.00293270950382
              4 vec=    -2.802933      7.607446      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00073062100756
                2p
                   -1 :               0.00024108031291
                   +0 :              -0.00052290734126
                   +1 :              -0.00126914462034
                3s
                   +0 :               0.00851963284434
                4s
                   +0 :              -0.00164397571201
                3p
                   -1 :               0.00100807503045
                   +0 :               0.00768928996163
                   +1 :               0.01138239053680
                4p
                   -1 :              -0.00017123599980
                   +0 :              -0.00119433466696
                   +1 :              -0.00175328059655
                3d
                   -2 :               0.00392615487235
                   -1 :               0.00209025749281
                   +0 :               0.00124956700155
                   +1 :               0.00296827447681
                   +2 :               0.00108478412782
              5 vec=    -2.802933    -10.360070      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00036420232797
                2p
                   -1 :              -0.00017257223293
                   +0 :              -0.00002007937937
                   +1 :              -0.00043901174234
                3s
                   +0 :              -0.00238440898888
                4s
                   +0 :               0.00037886750464
                3p
                   -1 :               0.00122343025530
                   +0 :              -0.00062091001001
                   +1 :               0.00248575991537
                4p
                   -1 :              -0.00018139956021
                   +0 :               0.00004605570641
                   +1 :              -0.00045866614014
                3d
                   -2 :              -0.00078411080590
                   -1 :               0.00024906667727
                   +0 :               0.00018480551511
                   +1 :               0.00018160794312
                   +2 :              -0.00007540497616
              6 vec=   -10.583096      3.115567      1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00057328158902
                2p
                   -1 :              -0.00006827853431
                   +0 :               0.00016482070727
                   +1 :               0.00010801294512
                3s
                   +0 :               0.00336492335455
                4s
                   +0 :              -0.00038311733868
                3p
                   -1 :              -0.00011110763471
                   +0 :              -0.00002943792436
                   +1 :              -0.00167765129022
                4p
                   -1 :              -0.00011101013594
                   +0 :               0.00008636768451
                   +1 :               0.00001052385550
                3d
                   -2 :               0.00016796446187
                   -1 :              -0.00049987660364
                   +0 :               0.00019888559924
                   +1 :              -0.00014628180078
                   +2 :               0.00052249102090
              7 vec=   -10.583096     -5.868191      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00008141874315
                2p
                   -1 :               0.00014561810592
                   +0 :              -0.00014207864030
                   +1 :               0.00002158576377
                3s
                   +0 :              -0.00028651858764
                4s
                   +0 :              -0.00005574755976
                3p
                   -1 :              -0.00025545844631
                   +0 :               0.00031009142159
                   +1 :               0.00018857084580
                4p
                   -1 :               0.00022026533961
                   +0 :              -0.00012839480051
                   +1 :              -0.00007709062482
                3d
                   -2 :              -0.00008373131033
                   -1 :               0.00003659819533
                   +0 :               0.00000465983776
                   +1 :              -0.00008099369200
                   +2 :               0.00017411417345
              8 vec=    12.757392     -1.376312      1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00022312378177
                2p
                   -1 :               0.00003727273625
                   +0 :               0.00003604107003
                   +1 :              -0.00002544166330
                3s
                   +0 :              -0.00059188444648
                4s
                   +0 :               0.00009157667056
                3p
                   -1 :              -0.00018396050188
                   +0 :              -0.00037072503619
                   +1 :               0.00022130355115
                4p
                   -1 :               0.00009008196460
                   +0 :               0.00012043348579
                   +1 :              -0.00012147945956
                3d
                   -2 :              -0.00010947953082
                   -1 :               0.00011961990016
                   +0 :               0.00005282108099
                   +1 :              -0.00005476870933
                   +2 :               0.00011150046637
              9 vec=     4.977229     12.099325      1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00018789002262
                2p
                   -1 :               0.00008948887594
                   +0 :              -0.00010022723494
                   +1 :              -0.00013962867421
                3s
                   +0 :               0.00290091981082
                4s
                   +0 :              -0.00010628189662
                3p
                   -1 :               0.00124963492133
                   +0 :               0.00236304692918
                   +1 :               0.00010942458769
                4p
                   -1 :               0.00018714701720
                   +0 :              -0.00036755435761
                   +1 :              -0.00007630649240
                3d
                   -2 :              -0.00017889515600
                   -1 :               0.00104375929637
                   +0 :               0.00025604503215
                   +1 :              -0.00000662140625
                   +2 :              -0.00034316331483
             10 vec=    12.757392      7.607446      1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00007717590581
                2p
                   -1 :               0.00000831302494
                   +0 :               0.00001581320701
                   +1 :               0.00002752822076
                3s
                   +0 :               0.00031324696564
                4s
                   +0 :               0.00001339429375
                3p
                   -1 :              -0.00017714932782
                   +0 :               0.00000055111310
                   +1 :              -0.00017742616288
                4p
                   -1 :               0.00003217173720
                   +0 :               0.00004014690486
                   +1 :               0.00010472636322
                3d
                   -2 :              -0.00004111906932
                   -1 :              -0.00009281241625
                   +0 :               0.00002736801169
                   +1 :               0.00000850720325
                   +2 :              -0.00005073505218
             11 vec=     4.977229    -14.851949      1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00012427188791
                2p
                   -1 :              -0.00007015638399
                   +0 :               0.00003044064880
                   +1 :               0.00000703682143
                3s
                   +0 :              -0.00043451014564
                4s
                   +0 :               0.00016924572437
                3p
                   -1 :               0.00043407182959
                   +0 :              -0.00022672718474
                   +1 :              -0.00000622210815
                4p
                   -1 :              -0.00011258665957
                   +0 :               0.00006357527389
                   +1 :              -0.00000537501940
                3d
                   -2 :              -0.00000429617420
                   -1 :               0.00004938349788
                   +0 :               0.00008048131020
                   +1 :              -0.00000505420878
                   +2 :               0.00012360324755
             12 vec=   -10.583096     12.099325      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00001774017613
                2p
                   -1 :              -0.00000036518430
                   +0 :               0.00000879814643
                   +1 :              -0.00002752594197
                3s
                   +0 :              -0.00005363563333
                4s
                   +0 :               0.00010592034028
                3p
                   -1 :              -0.00013806114613
                   +0 :              -0.00006284252428
                   +1 :               0.00025924778252
                4p
                   -1 :               0.00007239408995
                   +0 :               0.00004048680326
                   +1 :              -0.00015154395096
                3d
                   -2 :              -0.00001939334285
                   -1 :               0.00001020166951
                   +0 :              -0.00004066483326
                   +1 :              -0.00001450111958
                   +2 :              -0.00006719096441
             13 vec=    12.757392    -10.360070      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00001421342798
                2p
                   -1 :              -0.00000962370390
                   +0 :               0.00002281358446
                   +1 :               0.00000232026486
                3s
                   +0 :               0.00003705866657
                4s
                   +0 :              -0.00000255147137
                3p
                   -1 :              -0.00001312953574
                   +0 :              -0.00007770635371
                   +1 :               0.00010608921219
                4p
                   -1 :               0.00000406090018
                   +0 :               0.00002091254687
                   +1 :              -0.00001023961788
                3d
                   -2 :              -0.00000844996069
                   -1 :              -0.00000106417795
                   +0 :              -0.00000559304651
                   +1 :              -0.00000259900899
                   +2 :               0.00001655650763
             14 vec=    -2.802933     16.591204      1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00000265439355
                2p
                   -1 :               0.00000158178490
                   +0 :               0.00001632794409
                   +1 :              -0.00001557399927
                3s
                   +0 :               0.00027022896155
                4s
                   +0 :              -0.00010912222283
                3p
                   -1 :               0.00017555811023
                   +0 :               0.00005557881427
                   +1 :               0.00007757037999
                4p
                   -1 :              -0.00007072134402
                   +0 :              -0.00000072941992
                   +1 :              -0.00003392731528
                3d
                   -2 :               0.00002027180372
                   -1 :               0.00003614671762
                   +0 :               0.00000339880160
                   +1 :              -0.00000043124229
                   +2 :              -0.00000634235003
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site Al( 12)  npairs=  14
              1 vec=    -2.802933     -1.376312     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00137886094552
                2p
                   -1 :               0.00057568944476
                   +0 :              -0.00123451406263
                   +1 :              -0.00066983785285
                3s
                   +0 :              -0.00429248888542
                4s
                   +0 :               0.00369115188610
                3p
                   -1 :              -0.00265400976868
                   +0 :               0.00923889107509
                   +1 :               0.00393415017468
                4p
                   -1 :               0.00010978189437
                   +0 :              -0.00379210476536
                   +1 :              -0.00148818092427
                3d
                   -2 :              -0.00158206222209
                   -1 :              -0.00232745191118
                   +0 :              -0.00196670736574
                   +1 :               0.00010866844661
                   +2 :               0.00002764560936
              2 vec=     4.977229      3.115567     -5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00052802760311
                2p
                   -1 :              -0.00067470942378
                   +0 :              -0.00024368317634
                   +1 :               0.00041590102923
                3s
                   +0 :               0.00294368647485
                4s
                   +0 :              -0.00067934053568
                3p
                   -1 :               0.00620272475729
                   +0 :               0.00255834841250
                   +1 :               0.00003395868591
                4p
                   -1 :              -0.00113605235082
                   +0 :              -0.00034688872254
                   +1 :               0.00049516664204
                3d
                   -2 :               0.00163474149594
                   -1 :              -0.00037971734202
                   +0 :              -0.00148341809027
                   +1 :               0.00132279916862
                   +2 :              -0.00029591110672
              3 vec=     4.977229     -5.868191     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00073385486174
                2p
                   -1 :               0.00070067693021
                   +0 :               0.00054296819208
                   +1 :               0.00051880542612
                3s
                   +0 :               0.00173089418504
                4s
                   +0 :              -0.00046884794040
                3p
                   -1 :              -0.00330549549155
                   +0 :              -0.00151927259634
                   +1 :              -0.00242926389701
                4p
                   -1 :               0.00063628080449
                   +0 :               0.00028716493267
                   +1 :               0.00045192265548
                3d
                   -2 :               0.00021139236976
                   -1 :               0.00043164475572
                   +0 :              -0.00043105023232
                   +1 :               0.00034386193439
                   +2 :              -0.00034616898245
              4 vec=    -2.802933      7.607446     -5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00216536495071
                2p
                   -1 :               0.00016394085071
                   +0 :               0.00026343500231
                   +1 :              -0.00184312794235
                3s
                   +0 :              -0.00576645729210
                4s
                   +0 :               0.00143863511555
                3p
                   -1 :              -0.00002529637332
                   +0 :              -0.00274987323496
                   +1 :               0.00833994842922
                4p
                   -1 :              -0.00015778148744
                   +0 :               0.00144279945610
                   +1 :              -0.00151117625776
                3d
                   -2 :               0.00077978189688
                   -1 :              -0.00064413605923
                   +0 :               0.00094231973529
                   +1 :              -0.00042002518735
                   +2 :              -0.00107142021952
              5 vec=    -2.802933    -10.360070     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00032625248489
                2p
                   -1 :               0.00029004689940
                   +0 :               0.00016046562038
                   +1 :               0.00000209414066
                3s
                   +0 :               0.00087003114542
                4s
                   +0 :              -0.00052243427522
                3p
                   -1 :              -0.00135290087661
                   +0 :              -0.00037472171418
                   +1 :              -0.00025692673687
                4p
                   -1 :               0.00046794574625
                   +0 :               0.00016802523976
                   +1 :               0.00007261208739
                3d
                   -2 :               0.00008293441132
                   -1 :               0.00014740810662
                   +0 :              -0.00009899336136
                   +1 :              -0.00001501399560
                   +2 :              -0.00011508482705
              6 vec=   -10.583096      3.115567     -5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00015610847516
                2p
                   -1 :               0.00014276414858
                   +0 :              -0.00009236028783
                   +1 :              -0.00014085431760
                3s
                   +0 :              -0.00041694006680
                4s
                   +0 :               0.00005819301148
                3p
                   -1 :              -0.00044194344672
                   +0 :               0.00016932704619
                   +1 :               0.00057995467475
                4p
                   -1 :               0.00009479773912
                   +0 :               0.00003490215501
                   +1 :              -0.00003696176728
                3d
                   -2 :               0.00015888853766
                   -1 :               0.00005127275808
                   +0 :               0.00001548206873
                   +1 :              -0.00021635288739
                   +2 :              -0.00028653872257
              7 vec=   -10.583096     -5.868191     -5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00009084354560
                2p
                   -1 :              -0.00001585093304
                   +0 :              -0.00005047528083
                   +1 :               0.00003106280174
                3s
                   +0 :               0.00032182460793
                4s
                   +0 :              -0.00013814167045
                3p
                   -1 :              -0.00000922987687
                   +0 :               0.00014205059987
                   +1 :              -0.00019906653826
                4p
                   -1 :               0.00002585709046
                   +0 :               0.00000787732596
                   +1 :               0.00009836151177
                3d
                   -2 :               0.00001729157083
                   -1 :               0.00006512628164
                   +0 :              -0.00004488434065
                   +1 :              -0.00009430773206
                   +2 :              -0.00008556167502
              8 vec=    12.757392     -1.376312     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00041243433417
                2p
                   -1 :              -0.00016138222692
                   +0 :               0.00009480387317
                   +1 :              -0.00008931916324
                3s
                   +0 :               0.00109927295380
                4s
                   +0 :              -0.00021524918807
                3p
                   -1 :               0.00075276786370
                   +0 :              -0.00041176565604
                   +1 :               0.00016570050279
                4p
                   -1 :              -0.00018883094290
                   +0 :               0.00012903170773
                   +1 :               0.00006645621328
                3d
                   -2 :               0.00013039683684
                   -1 :              -0.00018968212838
                   +0 :              -0.00001500625890
                   +1 :              -0.00007479172069
                   +2 :              -0.00000256985461
              9 vec=     4.977229     12.099325     -5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00004536447524
                2p
                   -1 :               0.00013837260390
                   +0 :              -0.00007170146982
                   +1 :               0.00000270282991
                3s
                   +0 :              -0.00026058838303
                4s
                   +0 :               0.00016784943622
                3p
                   -1 :              -0.00085011046153
                   +0 :               0.00024096945552
                   +1 :              -0.00000954751896
                4p
                   -1 :               0.00024972320503
                   +0 :              -0.00005181664397
                   +1 :               0.00002135760076
                3d
                   -2 :              -0.00005985466338
                   -1 :               0.00014472355109
                   +0 :               0.00013547474042
                   +1 :              -0.00009192238780
                   +2 :               0.00004418000672
             10 vec=    12.757392      7.607446     -5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00015419322964
                2p
                   -1 :               0.00007299391885
                   +0 :              -0.00004896956158
                   +1 :               0.00009897411415
                3s
                   +0 :              -0.00047616093390
                4s
                   +0 :               0.00011608729998
                3p
                   -1 :              -0.00038322021049
                   +0 :               0.00016211505137
                   +1 :              -0.00052488721984
                4p
                   -1 :               0.00007657782353
                   +0 :              -0.00001038227752
                   +1 :               0.00010787775634
                3d
                   -2 :              -0.00013026521448
                   -1 :               0.00007372902014
                   +0 :               0.00007976950093
                   +1 :               0.00004090694270
                   +2 :              -0.00007915417300
             11 vec=     4.977229    -14.851949     -5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00007177023624
                2p
                   -1 :               0.00002499586053
                   +0 :               0.00002102523705
                   +1 :              -0.00000852651851
                3s
                   +0 :               0.00001923963971
                4s
                   +0 :              -0.00003243657104
                3p
                   -1 :               0.00003463166094
                   +0 :              -0.00007581612702
                   +1 :               0.00006769656499
                4p
                   -1 :              -0.00000063372360
                   +0 :               0.00000558419312
                   +1 :              -0.00002020990337
                3d
                   -2 :              -0.00001148632018
                   -1 :               0.00005823145474
                   +0 :               0.00002251308374
                   +1 :              -0.00000984047337
                   +2 :              -0.00000617141423
             12 vec=   -10.583096     12.099325     -5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00014867620504
                2p
                   -1 :               0.00005090755052
                   +0 :              -0.00004742889699
                   +1 :              -0.00008722513932
                3s
                   +0 :              -0.00052393729552
                4s
                   +0 :               0.00018778361141
                3p
                   -1 :              -0.00031230570949
                   +0 :               0.00024260981408
                   +1 :               0.00044946036016
                4p
                   -1 :               0.00009954574873
                   +0 :              -0.00005430821003
                   +1 :              -0.00009791682720
                3d
                   -2 :               0.00008025982255
                   -1 :               0.00006862391361
                   +0 :              -0.00000759404884
                   +1 :              -0.00012996292985
                   +2 :              -0.00006753159939
             13 vec=    12.757392    -10.360070     -5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00002944014295
                2p
                   -1 :              -0.00003727311817
                   +0 :               0.00002307998229
                   +1 :               0.00000390072022
                3s
                   +0 :              -0.00007944744756
                4s
                   +0 :               0.00002300943686
                3p
                   -1 :               0.00017171074160
                   +0 :              -0.00006918450942
                   +1 :               0.00000930281499
                4p
                   -1 :              -0.00005213950733
                   +0 :              -0.00000141812936
                   +1 :              -0.00001119518576
                3d
                   -2 :               0.00001783754886
                   -1 :              -0.00000793606037
                   +0 :              -0.00001337435488
                   +1 :              -0.00000195073913
                   +2 :               0.00000174476053
             14 vec=    -2.802933     16.591204     -5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00001113000549
                2p
                   -1 :              -0.00000041565863
                   +0 :               0.00001786012146
                   +1 :              -0.00001370251151
                3s
                   +0 :               0.00015028958129
                4s
                   +0 :              -0.00006047967194
                3p
                   -1 :               0.00006671525649
                   +0 :              -0.00002529079233
                   +1 :              -0.00002592489783
                4p
                   -1 :              -0.00001916822647
                   +0 :              -0.00003107266470
                   +1 :               0.00003977141043
                3d
                   -2 :               0.00005702131086
                   -1 :              -0.00000987758630
                   +0 :              -0.00000321767096
                   +1 :              -0.00005094698798
                   +2 :               0.00002400838736
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 13)  npairs=  18
              1 vec=    -3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00009611116360
                2s
                   +0 :               0.00081169279691
                3s
                   +0 :              -0.00035544160145
                2p
                   -1 :               0.00021478250412
                   +0 :              -0.00051008303845
                   +1 :               0.00035609307729
                3p
                   -1 :              -0.00011584954225
                   +0 :               0.00041394239412
                   +1 :              -0.00026504826388
                3d
                   -2 :              -0.00000786246300
                   -1 :              -0.00000343812253
                   +0 :              -0.00006270484175
                   +1 :               0.00000245611384
                   +2 :               0.00002138949737
              2 vec=    -3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00008113828288
                2s
                   +0 :              -0.00060506504207
                3s
                   +0 :               0.00033778513377
                2p
                   -1 :               0.00018050707310
                   +0 :              -0.00046774981456
                   +1 :               0.00026123095604
                3p
                   -1 :              -0.00017714491422
                   +0 :               0.00042398435647
                   +1 :              -0.00016324227311
                3d
                   -2 :              -0.00000118912761
                   -1 :              -0.00001725079109
                   +0 :               0.00003108422322
                   +1 :              -0.00002166836213
                   +2 :              -0.00001246087189
              3 vec=     4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00000561431387
                2s
                   +0 :              -0.00009652507069
                3s
                   +0 :              -0.00005444672853
                2p
                   -1 :              -0.00065798185135
                   +0 :               0.00015736531267
                   +1 :              -0.00011081747682
                3p
                   -1 :               0.00018228570298
                   +0 :               0.00005126358351
                   +1 :              -0.00007564082882
                3d
                   -2 :              -0.00001107699292
                   -1 :               0.00001997425466
                   +0 :              -0.00001086100689
                   +1 :               0.00002583941072
                   +2 :              -0.00001594550778
              4 vec=     4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00009599151689
                2s
                   +0 :              -0.00062761167320
                3s
                   +0 :               0.00028494975135
                2p
                   -1 :              -0.00011671975470
                   +0 :              -0.00045370932602
                   +1 :              -0.00027485765747
                3p
                   -1 :              -0.00015570920855
                   +0 :               0.00026586194004
                   +1 :              -0.00004219065132
                3d
                   -2 :              -0.00002244248248
                   -1 :              -0.00005214183169
                   +0 :               0.00001650013652
                   +1 :              -0.00001700671350
                   +2 :               0.00001240894551
              5 vec=    -3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004033551639
                2s
                   +0 :              -0.00043360370496
                3s
                   +0 :               0.00010907839581
                2p
                   -1 :               0.00015693620933
                   +0 :               0.00040989798256
                   +1 :              -0.00010498356780
                3p
                   -1 :               0.00000328726768
                   +0 :              -0.00011381445605
                   +1 :               0.00003301648028
                3d
                   -2 :               0.00001056791746
                   -1 :              -0.00000777463030
                   +0 :               0.00001096375977
                   +1 :               0.00000601629698
                   +2 :               0.00000972893756
              6 vec=    -3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005698480127
                2s
                   +0 :              -0.00085625108661
                3s
                   +0 :               0.00008140970524
                2p
                   -1 :               0.00011976760611
                   +0 :              -0.00050087136438
                   +1 :              -0.00014297227792
                3p
                   -1 :               0.00008617512907
                   +0 :              -0.00000600041174
                   +1 :               0.00011526770111
                3d
                   -2 :              -0.00000558483655
                   -1 :               0.00001181404447
                   +0 :              -0.00001469691409
                   +1 :               0.00001503906781
                   +2 :               0.00002423867056
              7 vec=     4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001515344432
                2s
                   +0 :               0.00038094416280
                3s
                   +0 :              -0.00000811714898
                2p
                   -1 :              -0.00026413009282
                   +0 :              -0.00001340361168
                   +1 :               0.00011132860905
                3p
                   -1 :               0.00027201016210
                   +0 :              -0.00018160221089
                   +1 :               0.00004179423688
                3d
                   -2 :               0.00002271861706
                   -1 :              -0.00001701790910
                   +0 :               0.00002861697030
                   +1 :              -0.00001314642226
                   +2 :               0.00001718445897
              8 vec=     4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001506667960
                2s
                   +0 :               0.00016770417441
                3s
                   +0 :              -0.00005242211867
                2p
                   -1 :              -0.00015055151483
                   +0 :               0.00000405552132
                   +1 :               0.00014913757239
                3p
                   -1 :               0.00011433650357
                   +0 :              -0.00000125075169
                   +1 :              -0.00004956776767
                3d
                   -2 :               0.00000723162134
                   -1 :               0.00000114414629
                   +0 :              -0.00001105956924
                   +1 :              -0.00000346798061
                   +2 :              -0.00000070693579
              9 vec=   -10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001043076195
                2s
                   +0 :               0.00004387054695
                3s
                   +0 :              -0.00003243458911
                2p
                   -1 :              -0.00001161240135
                   +0 :              -0.00005211372687
                   +1 :              -0.00001586871551
                3p
                   -1 :              -0.00000767713785
                   +0 :               0.00004299049561
                   +1 :               0.00004480573474
                3d
                   -2 :               0.00000003437657
                   -1 :               0.00001002742855
                   +0 :              -0.00000239305955
                   +1 :               0.00000142841728
                   +2 :              -0.00000022059865
             10 vec=   -10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002677825653
                2s
                   +0 :               0.00014304118350
                3s
                   +0 :              -0.00010646983414
                2p
                   -1 :              -0.00001202099898
                   +0 :               0.00008652447166
                   +1 :              -0.00018117569722
                3p
                   -1 :               0.00000502570275
                   +0 :              -0.00009176651621
                   +1 :               0.00018378765646
                3d
                   -2 :              -0.00000038365415
                   -1 :               0.00000028467508
                   +0 :              -0.00000414393490
                   +1 :               0.00001072605420
                   +2 :              -0.00001124414163
             11 vec=    -3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002824882361
                2s
                   +0 :              -0.00014649022243
                3s
                   +0 :               0.00013136906711
                2p
                   -1 :              -0.00016386920838
                   +0 :               0.00013925838818
                   +1 :              -0.00008597922715
                3p
                   -1 :               0.00020981801502
                   +0 :              -0.00027292132771
                   +1 :               0.00003053844248
                3d
                   -2 :               0.00000066914064
                   -1 :              -0.00001350442537
                   +0 :               0.00001901047087
                   +1 :              -0.00000382773149
                   +2 :               0.00000104122464
             12 vec=    -3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000385053256
                2s
                   +0 :               0.00008032779058
                3s
                   +0 :               0.00000380496117
                2p
                   -1 :              -0.00005635072912
                   +0 :              -0.00004253504898
                   +1 :               0.00016989619622
                3p
                   -1 :               0.00007453368578
                   +0 :               0.00010342454627
                   +1 :              -0.00012889469326
                3d
                   -2 :              -0.00000625912829
                   -1 :              -0.00000394154366
                   +0 :               0.00000573239853
                   +1 :              -0.00001046331843
                   +2 :               0.00000253218107
             13 vec=   -10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000305607012
                2s
                   +0 :               0.00004138128922
                3s
                   +0 :               0.00000126902086
                2p
                   -1 :              -0.00000167330347
                   +0 :              -0.00003565920975
                   +1 :              -0.00005118098857
                3p
                   -1 :               0.00002446713166
                   +0 :               0.00000375838952
                   +1 :               0.00000678962943
                3d
                   -2 :              -0.00000036710161
                   -1 :              -0.00000379574804
                   +0 :              -0.00000025788396
                   +1 :              -0.00000111845617
                   +2 :               0.00000261766396
             14 vec=   -10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001410121685
                2s
                   +0 :               0.00012757224374
                3s
                   +0 :              -0.00003182225416
                2p
                   -1 :              -0.00002483675119
                   +0 :               0.00006396205254
                   +1 :              -0.00012137481544
                3p
                   -1 :               0.00003351932683
                   +0 :              -0.00000974782269
                   +1 :               0.00006923360990
                3d
                   -2 :              -0.00000240661642
                   -1 :               0.00000306728506
                   +0 :               0.00000082187312
                   +1 :               0.00000309224097
                   +2 :              -0.00000397388702
             15 vec=     4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000341138254
                2s
                   +0 :               0.00000088499425
                3s
                   +0 :              -0.00001391100443
                2p
                   -1 :               0.00001373661246
                   +0 :              -0.00008566958501
                   +1 :               0.00004708729011
                3p
                   -1 :              -0.00002624674962
                   +0 :               0.00005981067514
                   +1 :              -0.00006114332393
                3d
                   -2 :               0.00000312692136
                   -1 :               0.00000180457304
                   +0 :              -0.00000446675275
                   +1 :               0.00000318745555
                   +2 :              -0.00000387192085
             16 vec=     4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000145410939
                2s
                   +0 :              -0.00002204858405
                3s
                   +0 :               0.00000806863142
                2p
                   -1 :               0.00010325382807
                   +0 :               0.00001983521803
                   +1 :               0.00001254765979
                3p
                   -1 :              -0.00005403488621
                   +0 :               0.00001871106386
                   +1 :               0.00001213899353
                3d
                   -2 :              -0.00000450699632
                   -1 :              -0.00000689836117
                   +0 :               0.00000434697368
                   +1 :               0.00001107022422
                   +2 :               0.00000453030079
             17 vec=    12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001953599671
                2s
                   +0 :              -0.00010754665138
                3s
                   +0 :               0.00007005140937
                2p
                   -1 :               0.00000309386448
                   +0 :               0.00009843264338
                   +1 :               0.00004519070397
                3p
                   -1 :              -0.00002260272352
                   +0 :              -0.00004102634901
                   +1 :              -0.00002637440781
                3d
                   -2 :              -0.00000521747301
                   -1 :               0.00000517333245
                   +0 :               0.00000484420114
                   +1 :               0.00000120312878
                   +2 :              -0.00000596487402
             18 vec=    12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000326291599
                2s
                   +0 :              -0.00004527188339
                3s
                   +0 :              -0.00002951012026
                2p
                   -1 :              -0.00003883982091
                   +0 :              -0.00011652650504
                   +1 :               0.00002762211808
                3p
                   -1 :               0.00000859781648
                   +0 :               0.00000256582971
                   +1 :              -0.00007255929379
                3d
                   -2 :               0.00000980890265
                   -1 :               0.00000720314170
                   +0 :              -0.00000899838581
                   +1 :              -0.00001981877394
                   +2 :              -0.00000606856007
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 14)  npairs=  14
              1 vec=     0.000000     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000451069361
                2s
                   +0 :               0.00016198798615
                3s
                   +0 :               0.00001613102243
                2p
                   -1 :              -0.00008756943934
                   +0 :               0.00001056557397
                   +1 :              -0.00009755873537
                3p
                   -1 :              -0.00007429745340
                   +0 :              -0.00020265558563
                   +1 :               0.00006510862294
                3d
                   -2 :              -0.00000003442937
                   -1 :               0.00001027593985
                   +0 :               0.00004868940515
                   +1 :               0.00001598290790
                   +2 :              -0.00003257456211
              2 vec=     0.000000     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003338454160
                2s
                   +0 :              -0.00046179814677
                3s
                   +0 :               0.00009609555564
                2p
                   -1 :              -0.00002260155895
                   +0 :              -0.00010530147268
                   +1 :               0.00000889301628
                3p
                   -1 :              -0.00012107529691
                   +0 :               0.00003148938501
                   +1 :              -0.00006922834494
                3d
                   -2 :              -0.00000727670316
                   -1 :              -0.00002678788176
                   +0 :               0.00000215012849
                   +1 :              -0.00001037138351
                   +2 :              -0.00000297717321
              3 vec=     0.000000      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001925390449
                2s
                   +0 :               0.00034735090787
                3s
                   +0 :               0.00000146678371
                2p
                   -1 :               0.00006154293479
                   +0 :              -0.00029303058875
                   +1 :               0.00000302528181
                3p
                   -1 :              -0.00000348788814
                   +0 :               0.00004093152697
                   +1 :              -0.00001599890298
                3d
                   -2 :              -0.00002567553359
                   -1 :               0.00000094509026
                   +0 :               0.00002915487785
                   +1 :              -0.00000043191200
                   +2 :               0.00000087976384
              4 vec=     0.000000      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000636391721
                2s
                   +0 :               0.00024714083639
                3s
                   +0 :               0.00011918804221
                2p
                   -1 :              -0.00010919940930
                   +0 :              -0.00003406194952
                   +1 :              -0.00024368002467
                3p
                   -1 :               0.00015048143775
                   +0 :               0.00025541531451
                   +1 :               0.00016180018014
                3d
                   -2 :               0.00000384567765
                   -1 :               0.00004269670831
                   +0 :               0.00002743487173
                   +1 :               0.00000559328302
                   +2 :               0.00000569154504
              5 vec=    -7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000811310155
                2s
                   +0 :               0.00006501146871
                3s
                   +0 :               0.00007098719987
                2p
                   -1 :               0.00022841393104
                   +0 :               0.00001949469020
                   +1 :               0.00005629433362
                3p
                   -1 :              -0.00014564640940
                   +0 :              -0.00023919050380
                   +1 :              -0.00010732082891
                3d
                   -2 :              -0.00001330791847
                   -1 :              -0.00000169715129
                   +0 :               0.00002926841264
                   +1 :               0.00002878148158
                   +2 :               0.00000477869769
              6 vec=    -7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002966356966
                2s
                   +0 :              -0.00010202684677
                3s
                   +0 :               0.00010217030113
                2p
                   -1 :               0.00006962966962
                   +0 :              -0.00010741156095
                   +1 :              -0.00002268174978
                3p
                   -1 :               0.00003294512289
                   +0 :               0.00021330390040
                   +1 :               0.00004831579608
                3d
                   -2 :              -0.00001326872181
                   -1 :               0.00001938718170
                   +0 :               0.00002244479013
                   +1 :               0.00000286912896
                   +2 :              -0.00000606926157
              7 vec=     7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00008210470347
                2s
                   +0 :               0.00067456417157
                3s
                   +0 :              -0.00021202811941
                2p
                   -1 :               0.00011926573562
                   +0 :              -0.00065737582806
                   +1 :               0.00046903179178
                3p
                   -1 :              -0.00003106064113
                   +0 :               0.00021559709159
                   +1 :              -0.00022605078115
                3d
                   -2 :              -0.00001067091286
                   -1 :              -0.00002001524998
                   +0 :              -0.00000006241486
                   +1 :               0.00000818932786
                   +2 :              -0.00001297047007
              8 vec=     7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00003804359610
                2s
                   +0 :               0.00035547159583
                3s
                   +0 :              -0.00007552164604
                2p
                   -1 :               0.00012360784488
                   +0 :               0.00014960300775
                   +1 :              -0.00017568983358
                3p
                   -1 :              -0.00006447581706
                   +0 :               0.00000174795001
                   +1 :               0.00016374834489
                3d
                   -2 :               0.00001031103661
                   -1 :               0.00001224105807
                   +0 :               0.00000231886794
                   +1 :               0.00000210648455
                   +2 :               0.00000150557158
              9 vec=    -7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000237155952
                2s
                   +0 :              -0.00002502187903
                3s
                   +0 :               0.00000431451660
                2p
                   -1 :              -0.00013440009582
                   +0 :              -0.00006185566717
                   +1 :               0.00009327433564
                3p
                   -1 :               0.00013237239406
                   +0 :               0.00011173637028
                   +1 :              -0.00006515386237
                3d
                   -2 :              -0.00000320402153
                   -1 :              -0.00000807068897
                   +0 :              -0.00000309876789
                   +1 :               0.00000983837611
                   +2 :               0.00001131391953
             10 vec=    -7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001423880940
                2s
                   +0 :               0.00016462190135
                3s
                   +0 :               0.00000583746058
                2p
                   -1 :              -0.00016997460214
                   +0 :               0.00009365502666
                   +1 :              -0.00004824524660
                3p
                   -1 :               0.00009626669953
                   +0 :               0.00007247898515
                   +1 :               0.00003122960823
                3d
                   -2 :              -0.00000056787835
                   -1 :              -0.00001540173845
                   +0 :               0.00003299309723
                   +1 :              -0.00001875515631
                   +2 :              -0.00000787175211
             11 vec=     7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000257141604
                2s
                   +0 :               0.00002065210292
                3s
                   +0 :              -0.00000889202403
                2p
                   -1 :              -0.00004213983096
                   +0 :               0.00001146087121
                   +1 :              -0.00021195535439
                3p
                   -1 :               0.00003146570011
                   +0 :               0.00005692498399
                   +1 :               0.00013702106067
                3d
                   -2 :              -0.00000310087903
                   -1 :              -0.00000405586581
                   +0 :              -0.00001183444961
                   +1 :              -0.00001236429144
                   +2 :               0.00000017866202
             12 vec=     7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001809427894
                2s
                   +0 :              -0.00016786327883
                3s
                   +0 :               0.00004075490425
                2p
                   -1 :               0.00004533694477
                   +0 :              -0.00007106461749
                   +1 :              -0.00005643230981
                3p
                   -1 :              -0.00003612429070
                   +0 :               0.00000145917312
                   +1 :               0.00000284866164
                3d
                   -2 :               0.00000442593568
                   -1 :              -0.00000534529744
                   +0 :              -0.00000642832441
                   +1 :              -0.00000690205684
                   +2 :               0.00000321664925
             13 vec=     0.000000    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000092354432
                2s
                   +0 :              -0.00008309382916
                3s
                   +0 :              -0.00000887527550
                2p
                   -1 :               0.00015463833858
                   +0 :               0.00013740996874
                   +1 :              -0.00003517043949
                3p
                   -1 :              -0.00005375088161
                   +0 :              -0.00000514014261
                   +1 :              -0.00000782632591
                3d
                   -2 :               0.00000502663439
                   -1 :               0.00000047162855
                   +0 :              -0.00000208676490
                   +1 :              -0.00000144390585
                   +2 :               0.00000190925377
             14 vec=     0.000000    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002030550485
                2s
                   +0 :              -0.00021478718545
                3s
                   +0 :               0.00002011163382
                2p
                   -1 :               0.00010757898226
                   +0 :              -0.00008129843760
                   +1 :               0.00004393984951
                3p
                   -1 :               0.00000939398137
                   +0 :              -0.00000044299281
                   +1 :              -0.00003920115367
                3d
                   -2 :               0.00000608594284
                   -1 :               0.00000164141819
                   +0 :              -0.00000114300849
                   +1 :              -0.00000422857930
                   +2 :               0.00000573882745
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 15)  npairs=  14
              1 vec=     2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00007614643763
                2s
                   +0 :               0.00071293748701
                3s
                   +0 :              -0.00025273075388
                2p
                   -1 :               0.00011697071780
                   +0 :              -0.00051901376358
                   +1 :              -0.00037801794247
                3p
                   -1 :              -0.00006893013463
                   +0 :               0.00033517650881
                   +1 :               0.00027969122806
                3d
                   -2 :               0.00001231946411
                   -1 :              -0.00000146554884
                   +0 :              -0.00003159508421
                   +1 :              -0.00001408264048
                   +2 :              -0.00002043952951
              2 vec=     2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003833421500
                2s
                   +0 :              -0.00028042836411
                3s
                   +0 :               0.00022063666973
                2p
                   -1 :              -0.00003935327812
                   +0 :              -0.00018461705038
                   +1 :              -0.00024227102039
                3p
                   -1 :               0.00007352015193
                   +0 :               0.00023948502467
                   +1 :               0.00011228758873
                3d
                   -2 :               0.00000463007602
                   -1 :              -0.00000134506996
                   +0 :               0.00001694861180
                   +1 :               0.00002411366014
                   +2 :              -0.00000467769452
              3 vec=    -5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00003974053275
                2s
                   +0 :              -0.00009973940783
                3s
                   +0 :              -0.00023310485724
                2p
                   -1 :              -0.00073405541647
                   +0 :               0.00016283329365
                   +1 :               0.00010753647084
                3p
                   -1 :               0.00025791178553
                   +0 :               0.00020657108848
                   +1 :               0.00017863894263
                3d
                   -2 :              -0.00000075370869
                   -1 :               0.00000552563079
                   +0 :              -0.00002824267266
                   +1 :              -0.00004934732923
                   +2 :              -0.00000360887721
              4 vec=    -5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000625880345
                2s
                   +0 :              -0.00009965863272
                3s
                   +0 :              -0.00007484614253
                2p
                   -1 :              -0.00031895577521
                   +0 :              -0.00022580417119
                   +1 :               0.00042335332188
                3p
                   -1 :              -0.00004644573260
                   +0 :               0.00006222564532
                   +1 :              -0.00017376809106
                3d
                   -2 :               0.00000493222884
                   -1 :              -0.00003736087945
                   +0 :              -0.00000682855411
                   +1 :               0.00001452825540
                   +2 :              -0.00000458087257
              5 vec=    -5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00000726859939
                2s
                   +0 :               0.00018007196661
                3s
                   +0 :               0.00000538723790
                2p
                   -1 :               0.00009522164213
                   +0 :              -0.00035132182333
                   +1 :              -0.00039704164823
                3p
                   -1 :              -0.00010855867013
                   +0 :               0.00024434937761
                   +1 :               0.00025135076949
                3d
                   -2 :               0.00003122720317
                   -1 :               0.00000616847896
                   +0 :              -0.00002120913110
                   +1 :              -0.00001305562027
                   +2 :               0.00000205097444
              6 vec=    -5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00001066106357
                2s
                   +0 :               0.00010749058381
                3s
                   +0 :               0.00000116366213
                2p
                   -1 :               0.00000971928647
                   +0 :               0.00017901023825
                   +1 :               0.00015846797562
                3p
                   -1 :               0.00001591786149
                   +0 :              -0.00006877141356
                   +1 :              -0.00018052134347
                3d
                   -2 :               0.00000018451241
                   -1 :              -0.00000345050994
                   +0 :              -0.00000645478271
                   +1 :              -0.00001198394305
                   +2 :               0.00000682383834
              7 vec=     2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002491263998
                2s
                   +0 :              -0.00026848986511
                3s
                   +0 :               0.00009609490368
                2p
                   -1 :               0.00007281568328
                   +0 :               0.00021597617360
                   +1 :               0.00010169365089
                3p
                   -1 :               0.00003518146554
                   +0 :              -0.00005206091503
                   +1 :               0.00001784808578
                3d
                   -2 :              -0.00000310923876
                   -1 :              -0.00000533934874
                   +0 :               0.00001580898330
                   +1 :              -0.00001274701451
                   +2 :               0.00000925762111
              8 vec=     2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00008327679992
                2s
                   +0 :              -0.00075301039344
                3s
                   +0 :               0.00014466904896
                2p
                   -1 :               0.00024250984931
                   +0 :              -0.00041501713633
                   +1 :              -0.00014613703737
                3p
                   -1 :              -0.00009239976703
                   +0 :               0.00009393165272
                   +1 :               0.00010114935877
                3d
                   -2 :              -0.00000405545714
                   -1 :               0.00001117173182
                   +0 :              -0.00001244733431
                   +1 :               0.00001346308139
                   +2 :              -0.00000396282865
              9 vec=     2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00004007230902
                2s
                   +0 :               0.00026206668105
                3s
                   +0 :              -0.00011123090255
                2p
                   -1 :               0.00036610867626
                   +0 :              -0.00025467427993
                   +1 :              -0.00006163308612
                3p
                   -1 :              -0.00027668388296
                   +0 :               0.00012776648080
                   +1 :               0.00008148145770
                3d
                   -2 :              -0.00000841210308
                   -1 :               0.00002249275965
                   +0 :              -0.00000680029124
                   +1 :              -0.00000441223205
                   +2 :               0.00001096577599
             10 vec=     2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003327939244
                2s
                   +0 :              -0.00024659824316
                3s
                   +0 :               0.00015922958656
                2p
                   -1 :              -0.00004831449933
                   +0 :              -0.00035787873410
                   +1 :              -0.00005624653656
                3p
                   -1 :               0.00006735037017
                   +0 :               0.00029298317070
                   +1 :               0.00010717954641
                3d
                   -2 :               0.00000434358186
                   -1 :               0.00002862641714
                   +0 :               0.00001121522997
                   +1 :               0.00001408340879
                   +2 :              -0.00001295142849
             11 vec=    10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001675377610
                2s
                   +0 :               0.00009312072383
                3s
                   +0 :              -0.00005078548716
                2p
                   -1 :              -0.00014584998911
                   +0 :              -0.00007246549020
                   +1 :               0.00011750456523
                3p
                   -1 :               0.00008909138831
                   +0 :               0.00003941484976
                   +1 :              -0.00009354226122
                3d
                   -2 :              -0.00000603961919
                   -1 :              -0.00000228828030
                   +0 :               0.00000146283664
                   +1 :               0.00000343584859
                   +2 :              -0.00000508028666
             12 vec=    10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002798460610
                2s
                   +0 :               0.00017108956147
                3s
                   +0 :              -0.00009557534502
                2p
                   -1 :              -0.00019301358182
                   +0 :               0.00009986578461
                   +1 :               0.00005680189998
                3p
                   -1 :               0.00016021353818
                   +0 :              -0.00007233731171
                   +1 :              -0.00003804879595
                3d
                   -2 :               0.00000795557439
                   -1 :               0.00000896866672
                   +0 :              -0.00000093281612
                   +1 :              -0.00000424803530
                   +2 :               0.00000520907056
             13 vec=    10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000150624531
                2s
                   +0 :               0.00004151943303
                3s
                   +0 :               0.00001137083614
                2p
                   -1 :               0.00001703955641
                   +0 :              -0.00001159061913
                   +1 :               0.00009005638304
                3p
                   -1 :               0.00001912687471
                   +0 :              -0.00000332479122
                   +1 :              -0.00004034167082
                3d
                   -2 :              -0.00000517253281
                   -1 :              -0.00000047454741
                   +0 :               0.00000136478292
                   +1 :               0.00000664685875
                   +2 :              -0.00000549998537
             14 vec=    10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002504590866
                2s
                   +0 :               0.00022040278655
                3s
                   +0 :              -0.00004481814239
                2p
                   -1 :               0.00005662778688
                   +0 :               0.00010399801944
                   +1 :               0.00013978645869
                3p
                   -1 :               0.00000574372070
                   +0 :              -0.00000701940100
                   +1 :              -0.00008984214427
                3d
                   -2 :              -0.00000230499059
                   -1 :               0.00001925271502
                   +0 :               0.00000743633989
                   +1 :              -0.00000594863068
                   +2 :              -0.00000686360510
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 16)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00084661103351
                2s
                   +0 :              -0.00119453227484
                3s
                   +0 :              -0.00362999996235
                2p
                   -1 :               0.87807607536898
                   +0 :               0.02577638834134
                   +1 :               0.00858690987177
                3p
                   -1 :              -0.04296201361501
                   +0 :              -0.00944814408841
                   +1 :              -0.00389817016956
                3d
                   -2 :               0.00071852332116
                   -1 :              -0.00236030500413
                   +0 :              -0.00075985368511
                   +1 :               0.00183804517990
                   +2 :              -0.00292563038788
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028175884429
                2s
                   +0 :              -0.00178042569360
                3s
                   +0 :               0.00083606648359
                2p
                   -1 :              -0.00234445639063
                   +0 :               0.00009398445668
                   +1 :               0.00373652447527
                3p
                   -1 :               0.00067303326249
                   +0 :              -0.00002373172071
                   +1 :              -0.00161489619356
                3d
                   -2 :              -0.00002779973807
                   -1 :               0.00007368095074
                   +0 :              -0.00008603495610
                   +1 :               0.00001085406602
                   +2 :              -0.00007201711230
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027612253803
                2s
                   +0 :               0.00098801140993
                3s
                   +0 :              -0.00013655430250
                2p
                   -1 :              -0.00119797582399
                   +0 :              -0.00005143724847
                   +1 :              -0.00164357465429
                3p
                   -1 :              -0.00071919719295
                   +0 :               0.00011712210368
                   +1 :              -0.00061429302331
                3d
                   -2 :               0.00029526322071
                   -1 :               0.00001235810244
                   +0 :              -0.00006111608818
                   +1 :               0.00020484031687
                   +2 :               0.00033080505973
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00026020755262
                2s
                   +0 :              -0.00142806910656
                3s
                   +0 :               0.00042834944943
                2p
                   -1 :               0.00120428077282
                   +0 :               0.00140641670930
                   +1 :              -0.00064842625994
                3p
                   -1 :               0.00008667634218
                   +0 :              -0.00134631147381
                   +1 :               0.00128864566812
                3d
                   -2 :              -0.00023822242874
                   -1 :               0.00000206688271
                   +0 :               0.00013342615458
                   +1 :              -0.00000071626437
                   +2 :              -0.00013754151846
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00006415259061
                2s
                   +0 :              -0.00000693515108
                3s
                   +0 :               0.00020786907058
                2p
                   -1 :               0.00023673013109
                   +0 :              -0.00009060095387
                   +1 :              -0.00250500437165
                3p
                   -1 :               0.00077808683529
                   +0 :               0.00009911423082
                   +1 :               0.00096785169585
                3d
                   -2 :              -0.00013130964950
                   -1 :               0.00001507662796
                   +0 :               0.00016871729114
                   +1 :              -0.00015513046232
                   +2 :              -0.00020294069257
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00007055287807
                2s
                   +0 :              -0.00060506439839
                3s
                   +0 :              -0.00006238589850
                2p
                   -1 :              -0.00231377861367
                   +0 :              -0.00045239339247
                   +1 :              -0.00372454704028
                3p
                   -1 :               0.00028180173157
                   +0 :               0.00042060426818
                   +1 :               0.00107550013224
                3d
                   -2 :              -0.00013187176895
                   -1 :              -0.00004036368649
                   +0 :              -0.00002713612873
                   +1 :               0.00004441258217
                   +2 :              -0.00006846920093
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00037155706558
                2s
                   +0 :               0.00187297064502
                3s
                   +0 :              -0.00122545309123
                2p
                   -1 :              -0.00198229051680
                   +0 :               0.00028432935120
                   +1 :               0.00185146978463
                3p
                   -1 :               0.00029631655961
                   +0 :              -0.00036890638196
                   +1 :              -0.00139932438572
                3d
                   -2 :              -0.00019010829761
                   -1 :              -0.00004726647046
                   +0 :              -0.00000685987680
                   +1 :               0.00002137647100
                   +2 :              -0.00001530111871
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001651239385
                2s
                   +0 :               0.00010224202622
                3s
                   +0 :              -0.00005849545191
                2p
                   -1 :              -0.00003593548975
                   +0 :              -0.00012023384691
                   +1 :               0.00008552989174
                3p
                   -1 :              -0.00000353986294
                   +0 :               0.00010694259317
                   +1 :              -0.00009270796747
                3d
                   -2 :              -0.00001185270995
                   -1 :              -0.00000096053533
                   +0 :              -0.00001952073903
                   +1 :              -0.00000792389610
                   +2 :               0.00001453254315
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005848666493
                2s
                   +0 :              -0.00083512558146
                3s
                   +0 :               0.00006118034905
                2p
                   -1 :               0.00082043917733
                   +0 :               0.00012871191566
                   +1 :               0.00030707986920
                3p
                   -1 :              -0.00006978887194
                   +0 :              -0.00008639739922
                   +1 :               0.00001453144128
                3d
                   -2 :              -0.00003274134227
                   -1 :               0.00000038531769
                   +0 :               0.00002077864328
                   +1 :               0.00000702769324
                   +2 :               0.00002604034606
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000076283772
                2s
                   +0 :               0.00055637308875
                3s
                   +0 :               0.00007865962386
                2p
                   -1 :               0.00086263372734
                   +0 :              -0.00033978317880
                   +1 :              -0.00073793269792
                3p
                   -1 :              -0.00020541874786
                   +0 :               0.00033239468920
                   +1 :               0.00025880053702
                3d
                   -2 :               0.00000521510044
                   -1 :               0.00004881126170
                   +0 :               0.00001245990999
                   +1 :              -0.00000639907430
                   +2 :              -0.00003505188364
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00009549403602
                2s
                   +0 :              -0.00111175433557
                3s
                   +0 :               0.00015269050214
                2p
                   -1 :               0.00083458962176
                   +0 :              -0.00007165630374
                   +1 :              -0.00058270228085
                3p
                   -1 :              -0.00005503597886
                   +0 :               0.00007209364323
                   +1 :               0.00006190290547
                3d
                   -2 :               0.00005510486107
                   -1 :              -0.00001853296135
                   +0 :               0.00003424986560
                   +1 :              -0.00001267049060
                   +2 :               0.00001774588438
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008076907264
                2s
                   +0 :               0.00105582111701
                3s
                   +0 :              -0.00012716042700
                2p
                   -1 :               0.00086744633867
                   +0 :               0.00011258729286
                   +1 :               0.00096617361257
                3p
                   -1 :              -0.00010266486153
                   +0 :              -0.00006538320481
                   +1 :              -0.00026100861608
                3d
                   -2 :               0.00004114485804
                   -1 :              -0.00000307905568
                   +0 :              -0.00001275165251
                   +1 :              -0.00000724177565
                   +2 :              -0.00002644655522
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003052790454
                2s
                   +0 :              -0.00021509299773
                3s
                   +0 :               0.00011125705196
                2p
                   -1 :              -0.00014233700216
                   +0 :               0.00014520607673
                   +1 :              -0.00022079089887
                3p
                   -1 :               0.00008800509141
                   +0 :              -0.00013452946550
                   +1 :               0.00014413895785
                3d
                   -2 :               0.00000478578195
                   -1 :              -0.00000091823003
                   +0 :              -0.00000651630248
                   +1 :               0.00000341262229
                   +2 :               0.00000844523891
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000058432479
                2s
                   +0 :              -0.00004096574570
                3s
                   +0 :              -0.00001008936520
                2p
                   -1 :              -0.00001915303776
                   +0 :               0.00004898510861
                   +1 :               0.00004239090473
                3p
                   -1 :               0.00002191152171
                   +0 :              -0.00003783262516
                   +1 :               0.00002406791497
                3d
                   -2 :              -0.00000088990473
                   -1 :               0.00000077299084
                   +0 :               0.00000225379190
                   +1 :               0.00000394416392
                   +2 :              -0.00000261049062
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000596852638
                2s
                   +0 :               0.00005501365693
                3s
                   +0 :              -0.00000340325594
                2p
                   -1 :               0.00004783121276
                   +0 :              -0.00001341806213
                   +1 :              -0.00000685127193
                3p
                   -1 :              -0.00000172889534
                   +0 :               0.00000867143611
                   +1 :              -0.00001894289228
                3d
                   -2 :               0.00000034815216
                   -1 :               0.00000354252665
                   +0 :               0.00000024309825
                   +1 :              -0.00000255283206
                   +2 :              -0.00000289879936
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002567533675
                2s
                   +0 :              -0.00025949100757
                3s
                   +0 :               0.00006220555123
                2p
                   -1 :               0.00022094994009
                   +0 :              -0.00001635329797
                   +1 :              -0.00006497770362
                3p
                   -1 :              -0.00005264963014
                   +0 :               0.00002168283269
                   +1 :               0.00004607799618
                3d
                   -2 :              -0.00000158945910
                   -1 :              -0.00000551486744
                   +0 :               0.00000277574237
                   +1 :              -0.00000407456025
                   +2 :              -0.00000022186329
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001019868812
                2s
                   +0 :               0.00014904396537
                3s
                   +0 :              -0.00001398711205
                2p
                   -1 :               0.00015878579765
                   +0 :               0.00006224493015
                   +1 :              -0.00001559636978
                3p
                   -1 :              -0.00000932206743
                   +0 :              -0.00004276062461
                   +1 :               0.00001627878707
                3d
                   -2 :               0.00000179443138
                   -1 :              -0.00000416760546
                   +0 :              -0.00000406931705
                   +1 :               0.00000448167651
                   +2 :               0.00000097357662
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000556390795
                2s
                   +0 :              -0.00006019558560
                3s
                   +0 :               0.00000630661412
                2p
                   -1 :               0.00004175013648
                   +0 :               0.00000930193465
                   +1 :              -0.00005303882548
                3p
                   -1 :               0.00000976174803
                   +0 :              -0.00000213305762
                   +1 :               0.00002070714748
                3d
                   -2 :               0.00000331176447
                   -1 :               0.00000016157780
                   +0 :               0.00000012933318
                   +1 :              -0.00000044251500
                   +2 :               0.00000569495396
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001779634939
                2s
                   +0 :               0.00015902749484
                3s
                   +0 :              -0.00004047978876
                2p
                   -1 :              -0.00000516347485
                   +0 :              -0.00005297097875
                   +1 :               0.00018709893547
                3p
                   -1 :               0.00000970193484
                   +0 :               0.00004765348746
                   +1 :              -0.00008347331674
                3d
                   -2 :               0.00000056458089
                   -1 :               0.00000258857092
                   +0 :              -0.00000277797094
                   +1 :               0.00000377639416
                   +2 :               0.00000024569044
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 17)  npairs=  12
              1 vec=     4.767684      0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00100163768581
                2s
                   +0 :               0.00272027657611
                3s
                   +0 :              -0.00202739030175
                2p
                   -1 :              -0.01152322718253
                   +0 :              -0.00176921235273
                   +1 :              -0.00561197830487
                3p
                   -1 :               0.00037720136007
                   +0 :               0.00004779176236
                   +1 :               0.00282232224238
                3d
                   -2 :              -0.00122275420774
                   -1 :               0.00009446008914
                   +0 :              -0.00073574697775
                   +1 :               0.00000808777600
                   +2 :               0.00007647478425
              2 vec=    -3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00237287307991
                2s
                   +0 :              -0.04796565549295
                3s
                   +0 :               0.00363300190589
                2p
                   -1 :               0.02521605850249
                   +0 :               0.00121576151149
                   +1 :               0.02094345926984
                3p
                   -1 :               0.00147984947517
                   +0 :              -0.00172889416414
                   +1 :              -0.00249385384815
                3d
                   -2 :              -0.00206248171006
                   -1 :               0.00085721126181
                   +0 :               0.00118574337956
                   +1 :              -0.00050456309802
                   +2 :               0.00090406646151
              3 vec=    -3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00001579142763
                2s
                   +0 :               0.03729799215822
                3s
                   +0 :               0.00485992668158
                2p
                   -1 :               0.01996124477680
                   +0 :               0.00544574549217
                   +1 :              -0.01726193803836
                3p
                   -1 :               0.00630141506347
                   +0 :              -0.00592288380066
                   +1 :              -0.00723393372647
                3d
                   -2 :              -0.00324380493805
                   -1 :              -0.00082338968992
                   +0 :              -0.00175850158177
                   +1 :               0.00037241093636
                   +2 :              -0.00096810062798
              4 vec=     4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00042987720336
                2s
                   +0 :              -0.00522823428807
                3s
                   +0 :               0.00033338435733
                2p
                   -1 :               0.00697402856507
                   +0 :              -0.00048231433120
                   +1 :              -0.00260802974871
                3p
                   -1 :              -0.00088802960441
                   +0 :               0.00011446383522
                   +1 :               0.00027475694139
                3d
                   -2 :               0.00027456710127
                   -1 :               0.00006575300379
                   +0 :               0.00010750929619
                   +1 :              -0.00004886999533
                   +2 :               0.00018540578421
              5 vec=     4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00099327830984
                2s
                   +0 :               0.00844276162539
                3s
                   +0 :              -0.00213260699913
                2p
                   -1 :               0.00554811953590
                   +0 :              -0.00000073052326
                   +1 :               0.00648962063188
                3p
                   -1 :               0.00003531225790
                   +0 :              -0.00008216470059
                   +1 :              -0.00243694907538
                3d
                   -2 :               0.00027150922630
                   -1 :              -0.00019114279748
                   +0 :              -0.00041434892126
                   +1 :               0.00000663018354
                   +2 :              -0.00035828672180
              6 vec=   -10.792642     -0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00021337644541
                2s
                   +0 :              -0.00109429872703
                3s
                   +0 :               0.00074374292232
                2p
                   -1 :              -0.00111308047543
                   +0 :              -0.00051344662721
                   +1 :               0.00067117746175
                3p
                   -1 :               0.00049055014216
                   +0 :               0.00049075391153
                   +1 :              -0.00063868626850
                3d
                   -2 :               0.00002617486169
                   -1 :              -0.00006514627963
                   +0 :              -0.00004373236441
                   +1 :              -0.00002786929336
                   +2 :               0.00008866672161
              7 vec=    12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00004133295585
                2s
                   +0 :              -0.00072831404227
                3s
                   +0 :               0.00004638220917
                2p
                   -1 :               0.00020064896005
                   +0 :              -0.00000281273912
                   +1 :              -0.00029337816324
                3p
                   -1 :              -0.00017307884005
                   +0 :              -0.00000878846928
                   +1 :              -0.00020307531530
                3d
                   -2 :               0.00000776553163
                   -1 :               0.00000129090325
                   +0 :               0.00001307496452
                   +1 :               0.00000098118497
                   +2 :              -0.00005064016244
              8 vec=    12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00005427419795
                2s
                   +0 :              -0.00018054689628
                3s
                   +0 :               0.00015372858950
                2p
                   -1 :              -0.00008163017468
                   +0 :              -0.00014318990539
                   +1 :               0.00016934999520
                3p
                   -1 :               0.00007612815006
                   +0 :               0.00013616636180
                   +1 :              -0.00006031907814
                3d
                   -2 :               0.00000778304066
                   -1 :               0.00001126549861
                   +0 :               0.00001405415243
                   +1 :               0.00000378121551
                   +2 :              -0.00000307218169
              9 vec=    -3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00003308828958
                2s
                   +0 :              -0.00063736934952
                3s
                   +0 :              -0.00000598363471
                2p
                   -1 :               0.00049302481044
                   +0 :              -0.00009161285754
                   +1 :               0.00035608024610
                3p
                   -1 :               0.00001511314690
                   +0 :               0.00006803663155
                   +1 :              -0.00030601427797
                3d
                   -2 :               0.00004631235581
                   -1 :               0.00000933576223
                   +0 :               0.00002527817578
                   +1 :              -0.00000870710643
                   +2 :               0.00001373617407
             10 vec=    -3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00006739350030
                2s
                   +0 :               0.00093741480665
                3s
                   +0 :              -0.00018292679908
                2p
                   -1 :               0.00062562312672
                   +0 :               0.00002794792443
                   +1 :               0.00044999883110
                3p
                   -1 :              -0.00014413368913
                   +0 :              -0.00003303569357
                   +1 :              -0.00028083821676
                3d
                   -2 :              -0.00001455371473
                   -1 :              -0.00001465032002
                   +0 :              -0.00002048199213
                   +1 :              -0.00001857418185
                   +2 :              -0.00000250407435
             11 vec=   -10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00004996185462
                2s
                   +0 :              -0.00058481803432
                3s
                   +0 :               0.00009311460010
                2p
                   -1 :              -0.00012958471475
                   +0 :               0.00021355987593
                   +1 :               0.00053485244205
                3p
                   -1 :              -0.00001209383758
                   +0 :              -0.00018444605905
                   +1 :              -0.00020079038524
                3d
                   -2 :               0.00002299088827
                   -1 :               0.00001116293772
                   +0 :              -0.00000481470817
                   +1 :              -0.00000312198651
                   +2 :               0.00000286972711
             12 vec=   -10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00002862340092
                2s
                   +0 :              -0.00006091190384
                3s
                   +0 :               0.00005918893152
                2p
                   -1 :              -0.00009658103697
                   +0 :              -0.00016583757577
                   +1 :               0.00014748485659
                3p
                   -1 :              -0.00003939592184
                   +0 :               0.00015438851613
                   +1 :              -0.00011595511914
                3d
                   -2 :               0.00002610553404
                   -1 :               0.00000436804596
                   +0 :              -0.00000417364144
                   +1 :              -0.00000727638920
                   +2 :               0.00000197818227
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 18)  npairs=  12
              1 vec=     2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00483683651480
                2s
                   +0 :              -0.10071858295789
                3s
                   +0 :               0.01124567071849
                2p
                   -1 :               0.05093513543309
                   +0 :               0.00275259893179
                   +1 :              -0.02871009168610
                3p
                   -1 :              -0.00771809453769
                   +0 :              -0.00331588192060
                   +1 :               0.00097565027459
                3d
                   -2 :               0.00355755140920
                   -1 :               0.00054226464382
                   +0 :               0.00242702402528
                   +1 :               0.00068884739976
                   +2 :               0.00011487511542
              2 vec=    -5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00132104301976
                2s
                   +0 :               0.00748383135133
                3s
                   +0 :              -0.00487327880432
                2p
                   -1 :              -0.00450513853861
                   +0 :               0.00445079159165
                   +1 :              -0.00712969822669
                3p
                   -1 :              -0.00077811559584
                   +0 :              -0.00430563253516
                   +1 :               0.00660047956135
                3d
                   -2 :               0.00089265707753
                   -1 :               0.00012041352751
                   +0 :               0.00020426740923
                   +1 :               0.00007148557442
                   +2 :              -0.00051946531775
              3 vec=     2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00105385832487
                2s
                   +0 :               0.04728187549176
                3s
                   +0 :               0.00220751730439
                2p
                   -1 :               0.03066843198582
                   +0 :               0.00342767399938
                   +1 :               0.01820306572170
                3p
                   -1 :               0.00281199710577
                   +0 :              -0.00389706345485
                   +1 :               0.00368025913466
                3d
                   -2 :               0.00284014033769
                   -1 :               0.00010509081637
                   +0 :              -0.00169242027684
                   +1 :              -0.00125202373307
                   +2 :              -0.00144667582441
              4 vec=    -5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00069298416997
                2s
                   +0 :              -0.00638605604864
                3s
                   +0 :               0.00143779774569
                2p
                   -1 :               0.00660438836573
                   +0 :              -0.00034448615371
                   +1 :               0.00196847530625
                3p
                   -1 :              -0.00182598871114
                   +0 :               0.00012806335391
                   +1 :               0.00053155253656
                3d
                   -2 :              -0.00028020921195
                   -1 :               0.00005673180423
                   +0 :               0.00016312585817
                   +1 :               0.00014147966994
                   +2 :               0.00001696406340
              5 vec=    10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00002801981082
                2s
                   +0 :               0.00005105873988
                3s
                   +0 :              -0.00000900325112
                2p
                   -1 :              -0.00014185392583
                   +0 :              -0.00026537959049
                   +1 :               0.00020177064402
                3p
                   -1 :              -0.00018343070982
                   +0 :               0.00024554305307
                   +1 :              -0.00056543530242
                3d
                   -2 :               0.00000848493938
                   -1 :               0.00003939466389
                   +0 :               0.00011470644332
                   +1 :               0.00003243758384
                   +2 :              -0.00009143860296
              6 vec=    -5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00097507857571
                2s
                   +0 :               0.00772652918946
                3s
                   +0 :              -0.00255939021235
                2p
                   -1 :               0.00594087540021
                   +0 :              -0.00168871551292
                   +1 :              -0.00398965232352
                3p
                   -1 :              -0.00211060301177
                   +0 :               0.00161580932191
                   +1 :               0.00160711221062
                3d
                   -2 :               0.00000394539094
                   -1 :               0.00007531746229
                   +0 :              -0.00003201959075
                   +1 :              -0.00005603017333
                   +2 :              -0.00003703290549
              7 vec=     2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00003557469188
                2s
                   +0 :              -0.00077282177087
                3s
                   +0 :              -0.00006915439204
                2p
                   -1 :               0.00001416684758
                   +0 :              -0.00001049715288
                   +1 :               0.00036799656165
                3p
                   -1 :               0.00028927757596
                   +0 :              -0.00000737784985
                   +1 :              -0.00002315204405
                3d
                   -2 :              -0.00003426484185
                   -1 :               0.00000766791938
                   +0 :               0.00001605612543
                   +1 :               0.00000791582046
                   +2 :              -0.00001130387362
              8 vec=    10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00000411977525
                2s
                   +0 :              -0.00016117085591
                3s
                   +0 :              -0.00004586200728
                2p
                   -1 :              -0.00035785630313
                   +0 :              -0.00008996070826
                   +1 :              -0.00001937629750
                3p
                   -1 :               0.00012346647344
                   +0 :               0.00009348597292
                   +1 :              -0.00004715153724
                3d
                   -2 :              -0.00003367186612
                   -1 :               0.00000908616405
                   +0 :               0.00001927814078
                   +1 :               0.00000096292764
                   +2 :               0.00001767764404
              9 vec=   -13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00002795742995
                2s
                   +0 :              -0.00037639172341
                3s
                   +0 :               0.00006111300402
                2p
                   -1 :               0.00014858472487
                   +0 :              -0.00003054958296
                   +1 :               0.00019823716300
                3p
                   -1 :              -0.00021691106499
                   +0 :               0.00001580183482
                   +1 :               0.00010388876013
                3d
                   -2 :               0.00001908333835
                   -1 :              -0.00000029669205
                   +0 :               0.00002213621814
                   +1 :               0.00000828078590
                   +2 :              -0.00004960054330
             10 vec=    10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00002990263082
                2s
                   +0 :              -0.00002271249404
                3s
                   +0 :               0.00012881930717
                2p
                   -1 :              -0.00029534478904
                   +0 :              -0.00014264175506
                   +1 :               0.00011190347882
                3p
                   -1 :               0.00004020221969
                   +0 :               0.00012713623495
                   +1 :               0.00017655982222
                3d
                   -2 :              -0.00002283061581
                   -1 :              -0.00000132657769
                   +0 :              -0.00003848666766
                   +1 :              -0.00000379631886
                   +2 :               0.00005452140929
             11 vec=   -13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00005786550646
                2s
                   +0 :               0.00063842530777
                3s
                   +0 :              -0.00014247148603
                2p
                   -1 :               0.00014646015420
                   +0 :              -0.00001694832928
                   +1 :              -0.00042005194480
                3p
                   -1 :              -0.00007445965009
                   +0 :               0.00003288045154
                   +1 :              -0.00000247335948
                3d
                   -2 :               0.00000166665156
                   -1 :              -0.00000246222055
                   +0 :              -0.00000476612712
                   +1 :              -0.00001113461515
                   +2 :               0.00002264591408
             12 vec=     2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00010627466937
                2s
                   +0 :               0.00107958736664
                3s
                   +0 :              -0.00025319920278
                2p
                   -1 :               0.00073690001092
                   +0 :               0.00017776130521
                   +1 :              -0.00052815816308
                3p
                   -1 :              -0.00035198838419
                   +0 :              -0.00014450269302
                   +1 :               0.00022693931358
                3d
                   -2 :              -0.00000841305150
                   -1 :              -0.00000278365216
                   +0 :               0.00002540868683
                   +1 :              -0.00000210735623
                   +2 :               0.00003287915332
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 19)  npairs=  14
              1 vec=     2.174555      1.739106     -4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00146202110725
                2s
                   +0 :               0.03480016444832
                3s
                   +0 :              -0.00337611261760
                2p
                   -1 :               0.00006405379605
                   +0 :              -0.02155326423255
                   +1 :               0.00988123149452
                3p
                   -1 :              -0.00554094470044
                   +0 :               0.00138483504129
                   +1 :              -0.00056034166189
                3d
                   -2 :              -0.00009629595058
                   -1 :               0.00112089731464
                   +0 :               0.00167575601297
                   +1 :              -0.00127116821142
                   +2 :               0.00111525527299
              2 vec=    -5.605607     -2.752773     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00019660382960
                2s
                   +0 :              -0.00146974364974
                3s
                   +0 :               0.00079216519001
                2p
                   -1 :               0.00172118785732
                   +0 :              -0.00097330936419
                   +1 :               0.00187748758152
                3p
                   -1 :              -0.00154037889009
                   +0 :               0.00164221349228
                   +1 :              -0.00049536899048
                3d
                   -2 :               0.00012671614571
                   -1 :               0.00004237757428
                   +0 :              -0.00022155380415
                   +1 :               0.00015616189991
                   +2 :               0.00014889613627
              3 vec=     2.174555     -7.244652     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00028366018874
                2s
                   +0 :              -0.00092222514473
                3s
                   +0 :               0.00013313978521
                2p
                   -1 :               0.00181603901406
                   +0 :              -0.00263646736425
                   +1 :              -0.00058127525530
                3p
                   -1 :              -0.00068137414785
                   +0 :               0.00274755556739
                   +1 :               0.00025506368400
                3d
                   -2 :              -0.00003834406428
                   -1 :              -0.00006441217152
                   +0 :              -0.00020733694108
                   +1 :              -0.00002210996973
                   +2 :              -0.00006979108591
              4 vec=    -5.605607      6.230985     -4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00068631940287
                2s
                   +0 :               0.00409795133447
                3s
                   +0 :              -0.00162322221099
                2p
                   -1 :               0.00037211931480
                   +0 :              -0.00159477103571
                   +1 :              -0.00246006018238
                3p
                   -1 :              -0.00007596920706
                   +0 :              -0.00017380787824
                   +1 :               0.00167532712419
                3d
                   -2 :               0.00020378480735
                   -1 :               0.00010819185205
                   +0 :               0.00019471395904
                   +1 :               0.00005020034371
                   +2 :              -0.00007600636147
              5 vec=     9.954718     -2.752773     -4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00006245667243
                2s
                   +0 :              -0.00062105767207
                3s
                   +0 :               0.00030948517225
                2p
                   -1 :              -0.00005273559192
                   +0 :               0.00023383825865
                   +1 :              -0.00182530217501
                3p
                   -1 :              -0.00014348543644
                   +0 :              -0.00018462788754
                   +1 :               0.00155252135928
                3d
                   -2 :              -0.00007775531174
                   -1 :               0.00001226566770
                   +0 :              -0.00017516463647
                   +1 :               0.00003166930267
                   +2 :               0.00011888060727
              6 vec=     2.174555     10.722864     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00005953873431
                2s
                   +0 :              -0.00006539478637
                3s
                   +0 :               0.00017153076185
                2p
                   -1 :              -0.00023978121556
                   +0 :               0.00027542132229
                   +1 :               0.00056256857682
                3p
                   -1 :               0.00048795153620
                   +0 :              -0.00025984189438
                   +1 :              -0.00055301616606
                3d
                   -2 :               0.00006894690803
                   -1 :               0.00000293313773
                   +0 :              -0.00010026970442
                   +1 :              -0.00008157010813
                   +2 :              -0.00011823919055
              7 vec=     9.954718      6.230985     -4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00002596714413
                2s
                   +0 :               0.00035104247772
                3s
                   +0 :              -0.00011460779600
                2p
                   -1 :               0.00008317376819
                   +0 :              -0.00007602410411
                   +1 :               0.00088214226317
                3p
                   -1 :               0.00001118616489
                   +0 :               0.00028452552987
                   +1 :              -0.00077388839574
                3d
                   -2 :               0.00001310279409
                   -1 :               0.00003551989587
                   +0 :              -0.00000003824312
                   +1 :               0.00005234823729
                   +2 :              -0.00003723178565
              8 vec=    -5.605607    -11.736531     -4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00000800557322
                2s
                   +0 :              -0.00050138631312
                3s
                   +0 :              -0.00012057160835
                2p
                   -1 :               0.00008806281918
                   +0 :               0.00030179483388
                   +1 :               0.00015760787086
                3p
                   -1 :               0.00023816384938
                   +0 :               0.00013296676412
                   +1 :              -0.00003946252414
                3d
                   -2 :              -0.00002795158629
                   -1 :              -0.00002311619812
                   +0 :               0.00000558682897
                   +1 :              -0.00000573192050
                   +2 :               0.00001626255032
              9 vec=   -13.385770      1.739106     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00002629796700
                2s
                   +0 :               0.00022082231123
                3s
                   +0 :              -0.00004882658723
                2p
                   -1 :              -0.00011718276044
                   +0 :               0.00005750102133
                   +1 :               0.00006015600184
                3p
                   -1 :               0.00007919766785
                   +0 :              -0.00005971586792
                   +1 :              -0.00017562274076
                3d
                   -2 :              -0.00000093036663
                   -1 :              -0.00000217934264
                   +0 :              -0.00000396173972
                   +1 :               0.00000779044826
                   +2 :               0.00002192556708
             10 vec=   -13.385770     -7.244652     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000474724259
                2s
                   +0 :               0.00001293936188
                3s
                   +0 :              -0.00002683212172
                2p
                   -1 :               0.00004060150675
                   +0 :              -0.00003294781188
                   +1 :               0.00003041636969
                3p
                   -1 :              -0.00005446832684
                   +0 :               0.00005999242242
                   +1 :               0.00001212754087
                3d
                   -2 :               0.00000343191486
                   -1 :               0.00000231520312
                   +0 :              -0.00000273682061
                   +1 :               0.00000271435934
                   +2 :              -0.00000513777863
             11 vec=     9.954718    -11.736531     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00006864929657
                2s
                   +0 :              -0.00049548426790
                3s
                   +0 :               0.00021452924341
                2p
                   -1 :               0.00025199850664
                   +0 :               0.00002279276337
                   +1 :              -0.00039585469253
                3p
                   -1 :              -0.00011158596956
                   +0 :              -0.00001022662853
                   +1 :               0.00025023129279
                3d
                   -2 :              -0.00000908152033
                   -1 :              -0.00000588675544
                   +0 :               0.00001464272899
                   +1 :              -0.00000057651515
                   +2 :               0.00001410200102
             12 vec=    -5.605607     15.214743     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00001018034886
                2s
                   +0 :               0.00009138084647
                3s
                   +0 :              -0.00002727019300
                2p
                   -1 :               0.00026288226998
                   +0 :              -0.00007901354661
                   +1 :              -0.00037661799454
                3p
                   -1 :              -0.00020815645618
                   +0 :               0.00004273373970
                   +1 :               0.00032999647389
                3d
                   -2 :               0.00002188146141
                   -1 :               0.00000578407858
                   +0 :               0.00001004979369
                   +1 :              -0.00001122625111
                   +2 :               0.00000957451782
             13 vec=     2.174555    -16.228410     -4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00003200504602
                2s
                   +0 :              -0.00022646930787
                3s
                   +0 :               0.00009340445224
                2p
                   -1 :               0.00015412210292
                   +0 :               0.00005299944435
                   +1 :              -0.00018896107743
                3p
                   -1 :              -0.00006462069852
                   +0 :              -0.00001479459506
                   +1 :               0.00014243264170
                3d
                   -2 :              -0.00001258870546
                   -1 :               0.00000125230932
                   +0 :              -0.00000009216016
                   +1 :               0.00000110298921
                   +2 :               0.00000141121009
             14 vec=   -13.385770     10.722864     -4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000077685510
                2s
                   +0 :              -0.00000464885418
                3s
                   +0 :               0.00001013781061
                2p
                   -1 :              -0.00001445559188
                   +0 :               0.00002727027965
                   +1 :               0.00008354509618
                3p
                   -1 :               0.00001073365625
                   +0 :              -0.00002567564271
                   +1 :              -0.00010027909178
                3d
                   -2 :              -0.00000210844020
                   -1 :               0.00000079499829
                   +0 :              -0.00000507048887
                   +1 :               0.00000120241377
                   +2 :               0.00001099025121
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 20)  npairs=  14
              1 vec=    -2.593647      1.739106     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00054970003820
                2s
                   +0 :               0.01596163185068
                3s
                   +0 :               0.00293848965553
                2p
                   -1 :              -0.00449104447270
                   +0 :              -0.01273816998617
                   +1 :              -0.00333559939235
                3p
                   -1 :               0.00109892441196
                   +0 :              -0.00195346592892
                   +1 :              -0.00527708684095
                3d
                   -2 :              -0.00005591743525
                   -1 :               0.00023260237024
                   +0 :               0.00131583672232
                   +1 :               0.00194401739261
                   +2 :               0.00074673493248
              2 vec=     5.186516     -2.752773     -4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00132095389285
                2s
                   +0 :              -0.00885314420983
                3s
                   +0 :               0.00435543031264
                2p
                   -1 :               0.00820568005094
                   +0 :               0.00103199396017
                   +1 :              -0.00358389681276
                3p
                   -1 :              -0.00737021135882
                   +0 :              -0.00035605990986
                   +1 :               0.00166201861005
                3d
                   -2 :              -0.00040865415606
                   -1 :               0.00002366479080
                   +0 :              -0.00015098784436
                   +1 :              -0.00012999475275
                   +2 :               0.00005972332025
              3 vec=    -2.593647     -7.244652     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00001360158496
                2s
                   +0 :               0.00051404162207
                3s
                   +0 :              -0.00034803623813
                2p
                   -1 :               0.00260077307875
                   +0 :              -0.00138955698536
                   +1 :               0.00175173446822
                3p
                   -1 :              -0.00124486939326
                   +0 :               0.00069603422630
                   +1 :              -0.00100353297346
                3d
                   -2 :               0.00007910792392
                   -1 :               0.00005169130569
                   +0 :               0.00004258868851
                   +1 :              -0.00010477557846
                   +2 :              -0.00005737406232
              4 vec=     5.186516      6.230985     -4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00020430776807
                2s
                   +0 :               0.00091945580398
                3s
                   +0 :              -0.00034766462190
                2p
                   -1 :              -0.00271778930530
                   +0 :              -0.00355914201728
                   +1 :               0.00027453936071
                3p
                   -1 :               0.00206451507542
                   +0 :               0.00191991181799
                   +1 :               0.00037433231501
                3d
                   -2 :               0.00000396015966
                   -1 :              -0.00006039639894
                   +0 :               0.00000937006988
                   +1 :               0.00007712245048
                   +2 :              -0.00003475186398
              5 vec=   -10.373810     -2.752773     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00006780547165
                2s
                   +0 :               0.00029445284850
                3s
                   +0 :              -0.00021403388660
                2p
                   -1 :              -0.00023149267389
                   +0 :              -0.00004810147200
                   +1 :               0.00015897089403
                3p
                   -1 :               0.00002611924263
                   +0 :               0.00007829052583
                   +1 :              -0.00003186168269
                3d
                   -2 :               0.00001785567515
                   -1 :               0.00002601853759
                   +0 :              -0.00006142601796
                   +1 :              -0.00005966573840
                   +2 :              -0.00000891658144
              6 vec=    -2.593647     10.722864     -4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00002365032684
                2s
                   +0 :               0.00036191745644
                3s
                   +0 :              -0.00003005642975
                2p
                   -1 :              -0.00029675826572
                   +0 :              -0.00095512145771
                   +1 :               0.00086164641295
                3p
                   -1 :               0.00033283193087
                   +0 :               0.00066580602026
                   +1 :              -0.00081168575851
                3d
                   -2 :              -0.00008613667578
                   -1 :               0.00005603530564
                   +0 :               0.00007924949050
                   +1 :              -0.00003782575687
                   +2 :              -0.00006088096082
              7 vec=   -10.373810      6.230985     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00002650124532
                2s
                   +0 :               0.00039691575407
                3s
                   +0 :              -0.00011414816536
                2p
                   -1 :               0.00007397923629
                   +0 :               0.00053854128508
                   +1 :               0.00004308615337
                3p
                   -1 :              -0.00001439797585
                   +0 :              -0.00040829072117
                   +1 :              -0.00001868625643
                3d
                   -2 :               0.00001536475083
                   -1 :              -0.00001063490483
                   +0 :               0.00002125611203
                   +1 :               0.00000325959318
                   +2 :              -0.00004084510842
              8 vec=     5.186516    -11.736531     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00007016233556
                2s
                   +0 :              -0.00098027992245
                3s
                   +0 :               0.00008106243769
                2p
                   -1 :               0.00050509776995
                   +0 :               0.00063458918216
                   +1 :               0.00019969196450
                3p
                   -1 :              -0.00024887548082
                   +0 :              -0.00013015134816
                   +1 :              -0.00017713242211
                3d
                   -2 :               0.00001893265608
                   -1 :               0.00000526308580
                   +0 :              -0.00004019417293
                   +1 :               0.00000458866129
                   +2 :               0.00002611148259
              9 vec=    12.966678      1.739106     -4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00006117360517
                2s
                   +0 :              -0.00028754767939
                3s
                   +0 :               0.00018519176272
                2p
                   -1 :               0.00005238483549
                   +0 :               0.00017609213846
                   +1 :              -0.00030316088132
                3p
                   -1 :              -0.00008072994860
                   +0 :              -0.00013096431057
                   +1 :               0.00034177546594
                3d
                   -2 :               0.00000356391977
                   -1 :               0.00001153694542
                   +0 :              -0.00000020610093
                   +1 :              -0.00000715419516
                   +2 :               0.00003470340053
             10 vec=    12.966678     -7.244652     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00001529508642
                2s
                   +0 :              -0.00012218067016
                3s
                   +0 :               0.00003722486306
                2p
                   -1 :              -0.00006577521759
                   +0 :               0.00000735977939
                   +1 :              -0.00002368160662
                3p
                   -1 :               0.00003752814365
                   +0 :               0.00002205623899
                   +1 :              -0.00004091685434
                3d
                   -2 :               0.00001317927741
                   -1 :              -0.00000810577940
                   +0 :               0.00000566986833
                   +1 :              -0.00000361184826
                   +2 :              -0.00000246852739
             11 vec=   -10.373810    -11.736531     -4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00001106796936
                2s
                   +0 :              -0.00000102984036
                3s
                   +0 :              -0.00004488045574
                2p
                   -1 :               0.00002568608095
                   +0 :               0.00003822334992
                   +1 :               0.00005539078131
                3p
                   -1 :               0.00001654713506
                   +0 :               0.00000791061867
                   +1 :               0.00002711697555
                3d
                   -2 :               0.00000165483208
                   -1 :               0.00000568482625
                   +0 :               0.00000869933678
                   +1 :              -0.00000280061784
                   +2 :               0.00000029081690
             12 vec=     5.186516     15.214743     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00004126440539
                2s
                   +0 :               0.00028209068083
                3s
                   +0 :              -0.00008562692389
                2p
                   -1 :               0.00017981130792
                   +0 :               0.00015481910863
                   +1 :               0.00003825590600
                3p
                   -1 :              -0.00003167811318
                   +0 :              -0.00020608679441
                   +1 :               0.00001142782729
                3d
                   -2 :              -0.00000552843541
                   -1 :              -0.00001662624432
                   +0 :              -0.00000772062169
                   +1 :               0.00000271488206
                   +2 :              -0.00000739304412
             13 vec=    -2.593647    -16.228410     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00002962917626
                2s
                   +0 :              -0.00020716365266
                3s
                   +0 :               0.00006490222123
                2p
                   -1 :               0.00013242252418
                   +0 :               0.00003591931088
                   +1 :               0.00012369776928
                3p
                   -1 :              -0.00005406676976
                   +0 :               0.00000203186266
                   +1 :              -0.00009735818408
                3d
                   -2 :               0.00000468408986
                   -1 :               0.00000372522684
                   +0 :              -0.00000839555189
                   +1 :               0.00000200530403
                   +2 :               0.00001035498286
             14 vec=    12.966678     10.722864     -4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00002417820249
                2s
                   +0 :               0.00014895024930
                3s
                   +0 :              -0.00006369031796
                2p
                   -1 :               0.00001888138919
                   +0 :               0.00000991784809
                   +1 :              -0.00003900364553
                3p
                   -1 :               0.00001958178613
                   +0 :              -0.00002402942711
                   +1 :               0.00005461913827
                3d
                   -2 :               0.00000689345761
                   -1 :              -0.00000256340770
                   +0 :               0.00000270789360
                   +1 :              -0.00000036182712
                   +2 :              -0.00000986914830
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 21)  npairs=  14
              1 vec=    -0.209546     -3.115268     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00181940669589
                2s
                   +0 :              -0.04343342339059
                3s
                   +0 :               0.00254946948124
                2p
                   -1 :               0.01026291591046
                   +0 :               0.02297697770906
                   +1 :              -0.00169288390535
                3p
                   -1 :               0.00412859868659
                   +0 :               0.00104081250868
                   +1 :               0.00273077059872
                3d
                   -2 :              -0.00008135557127
                   -1 :              -0.00223809137685
                   +0 :              -0.00140294175021
                   +1 :               0.00068654158837
                   +2 :               0.00056872827939
              2 vec=    -0.209546      5.868490     -4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00137189204867
                2s
                   +0 :               0.01161019683987
                3s
                   +0 :              -0.00590249674965
                2p
                   -1 :               0.01522088163484
                   +0 :              -0.01303886372169
                   +1 :              -0.00044115115353
                3p
                   -1 :              -0.01170538982206
                   +0 :               0.00882618423377
                   +1 :               0.00122059193036
                3d
                   -2 :               0.00007113027406
                   -1 :               0.00134922085730
                   +0 :              -0.00049707749067
                   +1 :               0.00000699391299
                   +2 :               0.00067831715491
              3 vec=     7.570617      1.376611     -4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00020494898134
                2s
                   +0 :              -0.00127487966523
                3s
                   +0 :               0.00069040509810
                2p
                   -1 :              -0.00189781073764
                   +0 :               0.00009296823739
                   +1 :               0.00146464183047
                3p
                   -1 :               0.00145761385122
                   +0 :               0.00036124964060
                   +1 :              -0.00106245401353
                3d
                   -2 :              -0.00001347525675
                   -1 :               0.00008528022471
                   +0 :              -0.00008067000660
                   +1 :               0.00009287665712
                   +2 :              -0.00018173568320
              4 vec=    -7.989708      1.376611     -4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00023368491950
                2s
                   +0 :              -0.00146564937589
                3s
                   +0 :               0.00077001488946
                2p
                   -1 :               0.00094478312697
                   +0 :               0.00056839781832
                   +1 :              -0.00079048713765
                3p
                   -1 :              -0.00103118495274
                   +0 :              -0.00016950780583
                   +1 :               0.00026086117991
                3d
                   -2 :               0.00005121094253
                   -1 :               0.00006520589375
                   +0 :               0.00003905860558
                   +1 :              -0.00017952994278
                   +2 :              -0.00009627446873
              5 vec=     7.570617     -7.607147     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00006798980304
                2s
                   +0 :               0.00016160343299
                3s
                   +0 :              -0.00047292975511
                2p
                   -1 :              -0.00094246418623
                   +0 :              -0.00008956780313
                   +1 :              -0.00034107736890
                3p
                   -1 :               0.00117041612738
                   +0 :               0.00045828992034
                   +1 :              -0.00027248032493
                3d
                   -2 :               0.00008618725069
                   -1 :               0.00000823794912
                   +0 :               0.00006447922720
                   +1 :               0.00006506657214
                   +2 :               0.00002859109152
              6 vec=    -7.989708     -7.607147     -4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00002934873454
                2s
                   +0 :              -0.00035205462567
                3s
                   +0 :               0.00005056181275
                2p
                   -1 :               0.00052389299939
                   +0 :               0.00038678750064
                   +1 :               0.00054103600112
                3p
                   -1 :              -0.00047020184879
                   +0 :              -0.00029428624421
                   +1 :              -0.00027787703388
                3d
                   -2 :              -0.00000621670314
                   -1 :               0.00002899200314
                   +0 :               0.00004098800909
                   +1 :               0.00000228896785
                   +2 :              -0.00000241025467
              7 vec=    -0.209546    -12.099026     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00000665240848
                2s
                   +0 :              -0.00041278329537
                3s
                   +0 :              -0.00004269851026
                2p
                   -1 :              -0.00053700840390
                   +0 :              -0.00009064776460
                   +1 :              -0.00019624676600
                3p
                   -1 :               0.00058409097784
                   +0 :               0.00019363701790
                   +1 :               0.00009635659117
                3d
                   -2 :               0.00001082181125
                   -1 :              -0.00001711274559
                   +0 :               0.00000222021118
                   +1 :               0.00000822082510
                   +2 :               0.00001946142326
              8 vec=     7.570617     10.360369     -4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00004529722881
                2s
                   +0 :               0.00053785925002
                3s
                   +0 :               0.00000414026047
                2p
                   -1 :               0.00018335588967
                   +0 :               0.00002421993062
                   +1 :              -0.00036163812482
                3p
                   -1 :              -0.00019353699530
                   +0 :              -0.00030117830061
                   +1 :               0.00045447326965
                3d
                   -2 :               0.00002691666277
                   -1 :              -0.00002171517077
                   +0 :               0.00003467482667
                   +1 :              -0.00004317378405
                   +2 :               0.00005791075891
              9 vec=    -7.989708     10.360369     -4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00014030475532
                2s
                   +0 :              -0.00052319320766
                3s
                   +0 :               0.00046220759489
                2p
                   -1 :               0.00049698622031
                   +0 :               0.00016383420789
                   +1 :              -0.00028283826191
                3p
                   -1 :              -0.00044253143340
                   +0 :              -0.00015651670313
                   +1 :               0.00020825130389
                3d
                   -2 :               0.00001634275789
                   -1 :               0.00001592563916
                   +0 :               0.00001898124385
                   +1 :              -0.00002418750199
                   +2 :              -0.00000245025853
             10 vec=    -0.209546     14.852248     -4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00001917263071
                2s
                   +0 :              -0.00008733056481
                3s
                   +0 :               0.00015885354145
                2p
                   -1 :              -0.00012793527603
                   +0 :              -0.00012437928665
                   +1 :              -0.00014054892992
                3p
                   -1 :               0.00019766602011
                   +0 :               0.00005086908640
                   +1 :               0.00011342427933
                3d
                   -2 :               0.00001500545585
                   -1 :               0.00000464796550
                   +0 :               0.00001535543118
                   +1 :              -0.00000890140578
                   +2 :              -0.00001034324023
             11 vec=    15.350780     -3.115268     -4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00002831394329
                2s
                   +0 :               0.00014496805201
                3s
                   +0 :              -0.00010472615709
                2p
                   -1 :              -0.00019792432372
                   +0 :               0.00017120800842
                   +1 :               0.00027322965574
                3p
                   -1 :               0.00013877412690
                   +0 :              -0.00010778440975
                   +1 :              -0.00027960496340
                3d
                   -2 :               0.00001254579088
                   -1 :              -0.00000387980297
                   +0 :               0.00001208405390
                   +1 :              -0.00000404267102
                   +2 :              -0.00002185583915
             12 vec=   -15.769871     -3.115268     -4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00000847225386
                2s
                   +0 :              -0.00007233262595
                3s
                   +0 :               0.00002687751324
                2p
                   -1 :              -0.00006540531119
                   +0 :               0.00003144924459
                   +1 :              -0.00003739001129
                3p
                   -1 :               0.00003260229216
                   +0 :              -0.00001251437317
                   +1 :               0.00006245743460
                3d
                   -2 :               0.00000208497850
                   -1 :               0.00000317663735
                   +0 :               0.00000531315112
                   +1 :               0.00000514118632
                   +2 :              -0.00000329240720
             13 vec=    15.350780      5.868490     -4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000071213068
                2s
                   +0 :               0.00000417748069
                3s
                   +0 :               0.00001726029309
                2p
                   -1 :              -0.00002812874956
                   +0 :              -0.00001665456045
                   +1 :              -0.00006506631804
                3p
                   -1 :               0.00002731290524
                   +0 :              -0.00000509840437
                   +1 :               0.00008524957201
                3d
                   -2 :              -0.00000122896729
                   -1 :               0.00000353909752
                   +0 :               0.00000177582256
                   +1 :              -0.00000197670275
                   +2 :               0.00001262611441
             14 vec=   -15.769871      5.868490     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00001665007851
                2s
                   +0 :               0.00012160242304
                3s
                   +0 :              -0.00004977358592
                2p
                   -1 :               0.00009412874740
                   +0 :              -0.00004174340362
                   +1 :              -0.00005040561915
                3p
                   -1 :              -0.00006641512419
                   +0 :              -0.00000159274343
                   +1 :               0.00003714162962
                3d
                   -2 :              -0.00000109167213
                   -1 :               0.00000036021034
                   +0 :               0.00000385167495
                   +1 :               0.00000045335714
                   +2 :               0.00000431945214
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 22)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00005913435686
                2s
                   +0 :              -0.00036885639769
                3s
                   +0 :               0.00038298289967
                2p
                   -1 :              -0.00214078172984
                   +0 :               0.00080404604642
                   +1 :               0.00179551461314
                3p
                   -1 :               0.00185132557340
                   +0 :              -0.00065282194526
                   +1 :              -0.00110221446260
                3d
                   -2 :              -0.00013690727715
                   -1 :               0.00015875891234
                   +0 :              -0.00007898402171
                   +1 :              -0.00001905611988
                   +2 :              -0.00000772548058
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00004890459564
                2s
                   +0 :              -0.00077570991665
                3s
                   +0 :              -0.00035688807636
                2p
                   -1 :               0.00149635524117
                   +0 :              -0.00398479406922
                   +1 :               0.00245446492871
                3p
                   -1 :              -0.00013932643252
                   +0 :               0.00055427615894
                   +1 :              -0.00000508754241
                3d
                   -2 :              -0.00003640604315
                   -1 :               0.00011575637744
                   +0 :              -0.00006152840813
                   +1 :               0.00011901944064
                   +2 :              -0.00000260317192
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00031022539727
                2s
                   +0 :               0.00255987685890
                3s
                   +0 :              -0.00060632379868
                2p
                   -1 :              -0.00358632137557
                   +0 :               0.00207583953061
                   +1 :               0.00181186518390
                3p
                   -1 :               0.00211043466886
                   +0 :              -0.00072795902462
                   +1 :              -0.00068260560066
                3d
                   -2 :              -0.00002434745625
                   -1 :               0.00010018122936
                   +0 :               0.00006983914545
                   +1 :              -0.00000416983288
                   +2 :              -0.00003241471455
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00001455171803
                2s
                   +0 :              -0.00004916703161
                3s
                   +0 :               0.00004765364262
                2p
                   -1 :               0.00032530778665
                   +0 :              -0.00002891037837
                   +1 :              -0.00018886718633
                3p
                   -1 :              -0.00028799858121
                   +0 :              -0.00009845085014
                   +1 :               0.00003629123241
                3d
                   -2 :               0.00001360057018
                   -1 :              -0.00001552376639
                   +0 :               0.00001700938271
                   +1 :               0.00000877279788
                   +2 :               0.00002411949466
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00004345745884
                2s
                   +0 :              -0.00020058400312
                3s
                   +0 :               0.00011630055505
                2p
                   -1 :              -0.00018696626928
                   +0 :              -0.00002221207966
                   +1 :               0.00009353045940
                3p
                   -1 :               0.00015961201944
                   +0 :               0.00009928496827
                   +1 :              -0.00011056094941
                3d
                   -2 :              -0.00001117958472
                   -1 :               0.00001124229409
                   +0 :               0.00002373905918
                   +1 :              -0.00000028063439
                   +2 :               0.00000667132398
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001608530813
                2s
                   +0 :              -0.00050617839660
                3s
                   +0 :              -0.00002308494395
                2p
                   -1 :               0.00020659924971
                   +0 :               0.00007813006343
                   +1 :              -0.00041480503580
                3p
                   -1 :              -0.00003626788986
                   +0 :              -0.00016890112975
                   +1 :               0.00009083591785
                3d
                   -2 :               0.00001080018096
                   -1 :               0.00001100642778
                   +0 :              -0.00004402153120
                   +1 :              -0.00001759507516
                   +2 :              -0.00000780278141
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000010686646
                2s
                   +0 :               0.00002753289473
                3s
                   +0 :               0.00001671822214
                2p
                   -1 :              -0.00003233567994
                   +0 :               0.00003534376465
                   +1 :              -0.00011235480935
                3p
                   -1 :               0.00003453646155
                   +0 :               0.00004090301981
                   +1 :               0.00004822503538
                3d
                   -2 :               0.00000112521978
                   -1 :               0.00001019205338
                   +0 :               0.00000435900965
                   +1 :               0.00000060648133
                   +2 :              -0.00001186454311
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00001464318792
                2s
                   +0 :              -0.00002653806876
                3s
                   +0 :               0.00006970509161
                2p
                   -1 :              -0.00009464663502
                   +0 :               0.00011240081728
                   +1 :               0.00017240298830
                3p
                   -1 :               0.00017039970220
                   +0 :              -0.00003934363459
                   +1 :              -0.00014384787415
                3d
                   -2 :              -0.00000930405928
                   -1 :              -0.00000009780047
                   +0 :              -0.00001080803773
                   +1 :               0.00000854542131
                   +2 :               0.00000493977893
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00003434161225
                2s
                   +0 :              -0.00019886711297
                3s
                   +0 :               0.00011214664377
                2p
                   -1 :              -0.00002629849414
                   +0 :              -0.00013955320237
                   +1 :               0.00020910165308
                3p
                   -1 :              -0.00000883406183
                   +0 :               0.00008245373273
                   +1 :              -0.00015414916510
                3d
                   -2 :               0.00001663814779
                   -1 :              -0.00000212475414
                   +0 :               0.00000475733725
                   +1 :               0.00000344544926
                   +2 :              -0.00000621942149
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00002676393819
                2s
                   +0 :              -0.00015135465620
                3s
                   +0 :               0.00002363844314
                2p
                   -1 :               0.00034053771380
                   +0 :              -0.00004562893199
                   +1 :              -0.00016944008191
                3p
                   -1 :              -0.00021625850580
                   +0 :              -0.00001812468780
                   +1 :               0.00013963203056
                3d
                   -2 :               0.00000545670546
                   -1 :              -0.00000154596300
                   +0 :              -0.00001179007523
                   +1 :               0.00000157778583
                   +2 :              -0.00000628775995
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001275153078
                2s
                   +0 :               0.00011117966050
                3s
                   +0 :              -0.00002858141961
                2p
                   -1 :              -0.00010786601008
                   +0 :               0.00008950482736
                   +1 :               0.00014847105755
                3p
                   -1 :               0.00008404430840
                   +0 :              -0.00009309695842
                   +1 :              -0.00007715305605
                3d
                   -2 :               0.00000793327165
                   -1 :               0.00000384832129
                   +0 :              -0.00000197857598
                   +1 :              -0.00000035872376
                   +2 :               0.00000635263517
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00002670743844
                2s
                   +0 :               0.00013530082347
                3s
                   +0 :              -0.00008004431200
                2p
                   -1 :              -0.00009338189998
                   +0 :               0.00004719905275
                   +1 :              -0.00017220050782
                3p
                   -1 :               0.00006380215937
                   +0 :              -0.00001765793256
                   +1 :               0.00013487624078
                3d
                   -2 :               0.00000341605796
                   -1 :               0.00000021251639
                   +0 :               0.00000317722158
                   +1 :              -0.00001120738860
                   +2 :               0.00000229222066
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000338059176
                2s
                   +0 :              -0.00000593247857
                3s
                   +0 :               0.00001655759123
                2p
                   -1 :              -0.00004125572422
                   +0 :               0.00001994699941
                   +1 :              -0.00005407849230
                3p
                   -1 :               0.00002276197003
                   +0 :              -0.00004732824674
                   +1 :               0.00001342551338
                3d
                   -2 :              -0.00000326846379
                   -1 :              -0.00000148975330
                   +0 :               0.00000006059996
                   +1 :               0.00000494942835
                   +2 :               0.00000003926489
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000099457715
                2s
                   +0 :               0.00001126358787
                3s
                   +0 :               0.00000245372969
                2p
                   -1 :              -0.00001530361785
                   +0 :              -0.00002804103825
                   +1 :              -0.00005748432276
                3p
                   -1 :              -0.00000784053488
                   +0 :              -0.00000775801881
                   +1 :               0.00001386989323
                3d
                   -2 :               0.00000045096081
                   -1 :              -0.00000063178961
                   +0 :               0.00000162922209
                   +1 :               0.00000122158217
                   +2 :              -0.00000019519863
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001190165656
                2s
                   +0 :              -0.00010730012934
                3s
                   +0 :               0.00002775141731
                2p
                   -1 :              -0.00005398627303
                   +0 :               0.00004862300678
                   +1 :               0.00008941137921
                3p
                   -1 :               0.00002304100510
                   +0 :               0.00000784707082
                   +1 :              -0.00007384752573
                3d
                   -2 :              -0.00000256240542
                   -1 :               0.00000254660646
                   +0 :              -0.00000813969382
                   +1 :               0.00000798707218
                   +2 :               0.00000205895578
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 23)  npairs=  15
              1 vec=     2.174037      4.491729      8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00014984770039
                2s
                   +0 :              -0.00052305028383
                3s
                   +0 :               0.00062775390696
                2p
                   -1 :               0.00168288200704
                   +0 :               0.00110346581101
                   +1 :              -0.00191140441884
                3p
                   -1 :              -0.00064183510527
                   +0 :              -0.00011010490453
                   +1 :               0.00070560376743
                3d
                   -2 :               0.00010211844889
                   -1 :               0.00007566165816
                   +0 :              -0.00011747724741
                   +1 :              -0.00003988354500
                   +2 :               0.00009830742157
              2 vec=     2.174037     -4.492029      8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00016648272625
                2s
                   +0 :              -0.00153164268303
                3s
                   +0 :               0.00000256086458
                2p
                   -1 :               0.00013253272743
                   +0 :              -0.00224917737561
                   +1 :              -0.00124372853540
                3p
                   -1 :               0.00030958858394
                   +0 :              -0.00004792770894
                   +1 :              -0.00039048107725
                3d
                   -2 :               0.00011303859002
                   -1 :               0.00007881095509
                   +0 :              -0.00002201590711
                   +1 :              -0.00012505380003
                   +2 :              -0.00000554065016
              3 vec=    -5.606126     -0.000150      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00025597722908
                2s
                   +0 :               0.00250072650434
                3s
                   +0 :              -0.00048985417730
                2p
                   -1 :              -0.00009587573733
                   +0 :               0.00175013541826
                   +1 :              -0.00192507869629
                3p
                   -1 :              -0.00052527871741
                   +0 :              -0.00043434055591
                   +1 :               0.00098042318171
                3d
                   -2 :              -0.00000317614463
                   -1 :              -0.00007455508322
                   +0 :               0.00014230994497
                   +1 :               0.00000324627922
                   +2 :              -0.00001392532846
              4 vec=     9.954199     -0.000150      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00000699190494
                2s
                   +0 :               0.00004627094477
                3s
                   +0 :               0.00004435322475
                2p
                   -1 :               0.00056650092756
                   +0 :              -0.00025018544062
                   +1 :               0.00036733267115
                3p
                   -1 :              -0.00046754874633
                   +0 :               0.00004217553570
                   +1 :              -0.00021943631836
                3d
                   -2 :              -0.00001810195292
                   -1 :              -0.00001895008973
                   +0 :              -0.00005273573462
                   +1 :              -0.00001261682936
                   +2 :               0.00000480086604
              5 vec=    -5.606126      8.983608      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00004447716225
                2s
                   +0 :               0.00061090024255
                3s
                   +0 :              -0.00020161090876
                2p
                   -1 :               0.00042654724616
                   +0 :               0.00044432360676
                   +1 :              -0.00000752784266
                3p
                   -1 :              -0.00012613828513
                   +0 :              -0.00009383460392
                   +1 :              -0.00003542066477
                3d
                   -2 :               0.00003685770666
                   -1 :              -0.00002240446300
                   +0 :              -0.00000121389399
                   +1 :               0.00001470960682
                   +2 :              -0.00001092190067
              6 vec=    -5.606126     -8.983908      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00000267141255
                2s
                   +0 :              -0.00024999144429
                3s
                   +0 :              -0.00005384867253
                2p
                   -1 :               0.00004544343648
                   +0 :               0.00026217090616
                   +1 :              -0.00016140860520
                3p
                   -1 :               0.00011457103949
                   +0 :              -0.00025662744742
                   +1 :               0.00038943819052
                3d
                   -2 :              -0.00004060784980
                   -1 :              -0.00002901469811
                   +0 :              -0.00000484041710
                   +1 :               0.00000134316730
                   +2 :              -0.00000290581794
              7 vec=     9.954199      8.983608      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00000391476868
                2s
                   +0 :              -0.00000974240633
                3s
                   +0 :               0.00005481820240
                2p
                   -1 :               0.00006865141320
                   +0 :               0.00011376722978
                   +1 :              -0.00002799332452
                3p
                   -1 :              -0.00007855548283
                   +0 :              -0.00003819913523
                   +1 :               0.00006993918987
                3d
                   -2 :               0.00000098292404
                   -1 :              -0.00001137126913
                   +0 :              -0.00000735388109
                   +1 :               0.00000770469300
                   +2 :               0.00000812592393
              8 vec=     9.954199     -8.983908      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00001628584104
                2s
                   +0 :              -0.00015051611735
                3s
                   +0 :               0.00003423508666
                2p
                   -1 :              -0.00011978179486
                   +0 :              -0.00017731636562
                   +1 :              -0.00020754891490
                3p
                   -1 :               0.00012452993951
                   +0 :               0.00005251380771
                   +1 :               0.00006399965627
                3d
                   -2 :               0.00000334914929
                   -1 :               0.00001629569500
                   +0 :               0.00000636520057
                   +1 :               0.00000883207791
                   +2 :               0.00000708680241
              9 vec=     2.174037     13.475487      8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00007562933932
                2s
                   +0 :              -0.00048491494152
                3s
                   +0 :               0.00025796507038
                2p
                   -1 :              -0.00021937889335
                   +0 :              -0.00002589438977
                   +1 :              -0.00008229102073
                3p
                   -1 :               0.00021450443735
                   +0 :               0.00005006500125
                   +1 :               0.00008960233833
                3d
                   -2 :               0.00001996208538
                   -1 :              -0.00000173634188
                   +0 :               0.00000130571742
                   +1 :              -0.00000902066657
                   +2 :               0.00000522134479
             10 vec=     2.174037    -13.475787      8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00000938966783
                2s
                   +0 :               0.00001577689096
                3s
                   +0 :              -0.00007253172963
                2p
                   -1 :               0.00009980093738
                   +0 :               0.00002634857415
                   +1 :               0.00014065235366
                3p
                   -1 :              -0.00002210102442
                   +0 :              -0.00006848882332
                   +1 :              -0.00011482141121
                3d
                   -2 :               0.00000193449655
                   -1 :               0.00000045029095
                   +0 :              -0.00000342060336
                   +1 :              -0.00001535727740
                   +2 :              -0.00000676174876
             11 vec=   -13.386289      4.491729      8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000281986349
                2s
                   +0 :               0.00000142185823
                3s
                   +0 :               0.00001486012591
                2p
                   -1 :              -0.00005551591698
                   +0 :               0.00007525970454
                   +1 :               0.00000406016541
                3p
                   -1 :               0.00003273860143
                   +0 :              -0.00006530382687
                   +1 :              -0.00004159072159
                3d
                   -2 :              -0.00000270054108
                   -1 :              -0.00000223172369
                   +0 :              -0.00001214935480
                   +1 :              -0.00000016220824
                   +2 :               0.00000152450595
             12 vec=   -13.386289     -4.492029      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00003723572050
                2s
                   +0 :               0.00016393898688
                3s
                   +0 :              -0.00012144502485
                2p
                   -1 :               0.00018092341749
                   +0 :               0.00009510360757
                   +1 :              -0.00005054764720
                3p
                   -1 :              -0.00017291533022
                   +0 :              -0.00009549322732
                   +1 :               0.00009990964668
                3d
                   -2 :              -0.00000040465245
                   -1 :               0.00000420753293
                   +0 :              -0.00000014936207
                   +1 :               0.00000907305627
                   +2 :              -0.00001170333328
             13 vec=     2.174037      4.491729    -16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00001058723059
                2s
                   +0 :               0.00008856809073
                3s
                   +0 :              -0.00003734317135
                2p
                   -1 :              -0.00001497169663
                   +0 :              -0.00005520681069
                   +1 :              -0.00000485709209
                3p
                   -1 :              -0.00000105847008
                   +0 :               0.00001730150398
                   +1 :               0.00000787045185
                3d
                   -2 :               0.00000243647727
                   -1 :              -0.00000333281210
                   +0 :              -0.00000061669047
                   +1 :              -0.00000113951554
                   +2 :               0.00000262768093
             14 vec=     2.174037     -4.492029    -16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00000875502325
                2s
                   +0 :               0.00006754858634
                3s
                   +0 :              -0.00002364737145
                2p
                   -1 :               0.00000098134136
                   +0 :              -0.00009172184135
                   +1 :               0.00006450769590
                3p
                   -1 :               0.00001877116700
                   +0 :               0.00004440240102
                   +1 :              -0.00004436972626
                3d
                   -2 :              -0.00000027031952
                   -1 :              -0.00000451498163
                   +0 :               0.00000317932230
                   +1 :               0.00000376510001
                   +2 :               0.00000629303594
             15 vec=    -5.606126     -0.000150    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00001084893521
                2s
                   +0 :              -0.00010573090179
                3s
                   +0 :               0.00002295633442
                2p
                   -1 :              -0.00014036740458
                   +0 :               0.00002460232714
                   +1 :               0.00002458160286
                3p
                   -1 :               0.00005226686608
                   +0 :               0.00006205411718
                   +1 :              -0.00002311890795
                3d
                   -2 :               0.00000274627377
                   -1 :               0.00000354032920
                   +0 :              -0.00000615507362
                   +1 :               0.00000230558777
                   +2 :              -0.00000072683134
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 24)  npairs=  14
              1 vec=    -0.209546      0.363243      8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00020566152367
                2s
                   +0 :              -0.00138703305651
                3s
                   +0 :               0.00061869787098
                2p
                   -1 :              -0.00052193033344
                   +0 :               0.00096747018257
                   +1 :               0.00116633877905
                3p
                   -1 :              -0.00087601664439
                   +0 :              -0.00096482947179
                   +1 :              -0.00090678018655
                3d
                   -2 :               0.00000488465675
                   -1 :              -0.00010699557509
                   +0 :              -0.00026072736887
                   +1 :              -0.00005900873906
                   +2 :              -0.00003243429351
              2 vec=    -0.209546     -8.620515      8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00005646087196
                2s
                   +0 :              -0.00023020148854
                3s
                   +0 :              -0.00030978400605
                2p
                   -1 :              -0.00014672124218
                   +0 :              -0.00044164364306
                   +1 :               0.00044601336673
                3p
                   -1 :               0.00035006624713
                   +0 :              -0.00026264580912
                   +1 :              -0.00031438396358
                3d
                   -2 :               0.00000260060241
                   -1 :               0.00001382500402
                   +0 :              -0.00000457843048
                   +1 :               0.00003745964248
                   +2 :              -0.00001775206873
              3 vec=     7.570617     -4.128636      8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00004260664380
                2s
                   +0 :               0.00041851441699
                3s
                   +0 :              -0.00017423815853
                2p
                   -1 :              -0.00015239755156
                   +0 :               0.00040651271834
                   +1 :              -0.00058541234248
                3p
                   -1 :              -0.00016121665846
                   +0 :              -0.00028963217416
                   +1 :               0.00053146887024
                3d
                   -2 :              -0.00003807583468
                   -1 :               0.00000536792648
                   +0 :              -0.00001349737862
                   +1 :               0.00002339067682
                   +2 :              -0.00000654470084
              4 vec=    -7.989708     -4.128636      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00006635143580
                2s
                   +0 :               0.00027167611190
                3s
                   +0 :              -0.00016977841487
                2p
                   -1 :              -0.00131392472184
                   +0 :               0.00014244388147
                   +1 :               0.00070726181555
                3p
                   -1 :               0.00095005612982
                   +0 :              -0.00015975885851
                   +1 :              -0.00044328448540
                3d
                   -2 :              -0.00000206435135
                   -1 :               0.00005055078467
                   +0 :              -0.00003456790228
                   +1 :              -0.00001322997872
                   +2 :               0.00001488190536
              5 vec=     7.570617      4.855122      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00004692615561
                2s
                   +0 :               0.00059715293200
                3s
                   +0 :              -0.00025880086755
                2p
                   -1 :               0.00060253101409
                   +0 :               0.00025585914357
                   +1 :               0.00017418658631
                3p
                   -1 :              -0.00064812311758
                   +0 :               0.00007475774437
                   +1 :               0.00030307315492
                3d
                   -2 :              -0.00004446862407
                   -1 :              -0.00002031802776
                   +0 :               0.00003457388067
                   +1 :              -0.00003285375541
                   +2 :               0.00004088058887
              6 vec=    -7.989708      4.855122      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00000410276066
                2s
                   +0 :               0.00023728595695
                3s
                   +0 :               0.00004994803752
                2p
                   -1 :              -0.00016946287511
                   +0 :               0.00013350664865
                   +1 :              -0.00040907585912
                3p
                   -1 :               0.00008360905973
                   +0 :               0.00019290136493
                   +1 :               0.00008800883469
                3d
                   -2 :               0.00001264925239
                   -1 :              -0.00003535410925
                   +0 :               0.00002319666469
                   +1 :              -0.00004480648780
                   +2 :              -0.00001312240346
              7 vec=    -0.209546      9.347001      8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00000357195915
                2s
                   +0 :               0.00015058917737
                3s
                   +0 :               0.00001728514185
                2p
                   -1 :               0.00130841696402
                   +0 :               0.00056388304172
                   +1 :               0.00003889824114
                3p
                   -1 :              -0.00100327158942
                   +0 :              -0.00040126576081
                   +1 :              -0.00008549980645
                3d
                   -2 :              -0.00001552436908
                   -1 :              -0.00003752426720
                   +0 :              -0.00000662267098
                   +1 :              -0.00003847824498
                   +2 :               0.00003123399934
              8 vec=    -0.209546      0.363243    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00000863604174
                2s
                   +0 :              -0.00003866673572
                3s
                   +0 :               0.00004004481313
                2p
                   -1 :               0.00007521128328
                   +0 :               0.00004183892984
                   +1 :              -0.00002071849077
                3p
                   -1 :              -0.00005025354568
                   +0 :              -0.00005933443147
                   +1 :              -0.00000046747517
                3d
                   -2 :              -0.00000652498086
                   -1 :               0.00000514607145
                   +0 :               0.00000189146856
                   +1 :               0.00000125353469
                   +2 :              -0.00000150582555
              9 vec=     7.570617    -13.112394      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00001507639107
                2s
                   +0 :              -0.00011696834054
                3s
                   +0 :               0.00002907187290
                2p
                   -1 :               0.00007452629462
                   +0 :              -0.00012477884747
                   +1 :              -0.00016361484094
                3p
                   -1 :               0.00002474918278
                   +0 :               0.00005187379485
                   +1 :               0.00002857719682
                3d
                   -2 :               0.00000389472287
                   -1 :              -0.00000099533888
                   +0 :               0.00000080914502
                   +1 :              -0.00000133358591
                   +2 :               0.00000508434589
             10 vec=    -7.989708    -13.112394      8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00003852874970
                2s
                   +0 :              -0.00030818054242
                3s
                   +0 :               0.00009772146235
                2p
                   -1 :               0.00031033938555
                   +0 :              -0.00008408286746
                   +1 :               0.00006682695813
                3p
                   -1 :              -0.00019255557621
                   +0 :               0.00002679266025
                   +1 :               0.00002216956166
                3d
                   -2 :              -0.00000383256532
                   -1 :              -0.00000062249658
                   +0 :               0.00000411893248
                   +1 :               0.00000626131651
                   +2 :              -0.00000835098667
             11 vec=    15.350780      0.363243      8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00000295114200
                2s
                   +0 :               0.00002695727842
                3s
                   +0 :              -0.00000843125057
                2p
                   -1 :               0.00004630553420
                   +0 :               0.00005954982408
                   +1 :               0.00004554016706
                3p
                   -1 :              -0.00007083140418
                   +0 :              -0.00002137342897
                   +1 :              -0.00002108040222
                3d
                   -2 :              -0.00000121148507
                   -1 :               0.00000276241683
                   +0 :               0.00000407274756
                   +1 :              -0.00000065779364
                   +2 :               0.00000761197327
             12 vec=   -15.769871      0.363243      8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000334328164
                2s
                   +0 :               0.00004721624486
                3s
                   +0 :              -0.00000581186382
                2p
                   -1 :               0.00005205981005
                   +0 :               0.00005454805678
                   +1 :              -0.00002290102073
                3p
                   -1 :              -0.00005965905799
                   +0 :              -0.00003407659307
                   +1 :              -0.00000492863121
                3d
                   -2 :              -0.00000109381869
                   -1 :              -0.00000206602792
                   +0 :               0.00000063484387
                   +1 :              -0.00000097187246
                   +2 :              -0.00000216522134
             13 vec=     7.570617     13.838880      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000700815777
                2s
                   +0 :               0.00006635264614
                3s
                   +0 :               0.00000828385039
                2p
                   -1 :               0.00012811767689
                   +0 :               0.00005708904862
                   +1 :               0.00002312635354
                3p
                   -1 :              -0.00005824744458
                   +0 :              -0.00000479352689
                   +1 :              -0.00001236881268
                3d
                   -2 :               0.00000100323659
                   -1 :               0.00000506579004
                   +0 :               0.00000181546011
                   +1 :              -0.00000165124374
                   +2 :              -0.00000173234288
             14 vec=    -7.989708     13.838880      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00001279491795
                2s
                   +0 :               0.00011497782284
                3s
                   +0 :              -0.00002917700521
                2p
                   -1 :               0.00009141530060
                   +0 :              -0.00003601771102
                   +1 :              -0.00003581842598
                3p
                   -1 :              -0.00001659487141
                   +0 :               0.00003933029902
                   +1 :               0.00000510006150
                3d
                   -2 :              -0.00000268753463
                   -1 :              -0.00000322737201
                   +0 :               0.00000086247898
                   +1 :               0.00000026032454
                   +2 :              -0.00000257512575
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 25)  npairs=  14
              1 vec=    -0.419351     -2.752474      4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00161253934572
                2s
                   +0 :              -0.05050010646442
                3s
                   +0 :               0.00314573577519
                2p
                   -1 :               0.00990714481499
                   +0 :              -0.03508772012712
                   +1 :               0.00295205534566
                3p
                   -1 :              -0.00002817009580
                   +0 :               0.00569479566580
                   +1 :              -0.00211093570921
                3d
                   -2 :              -0.00014868896404
                   -1 :               0.00044792948415
                   +0 :              -0.00146522720134
                   +1 :              -0.00031385515538
                   +2 :               0.00066539664809
              2 vec=    -0.419351      6.231284      4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00001465860414
                2s
                   +0 :               0.00032998182735
                3s
                   +0 :              -0.00007783717977
                2p
                   -1 :               0.00478168338219
                   +0 :              -0.00335487106411
                   +1 :               0.00311111741168
                3p
                   -1 :              -0.00230309851878
                   +0 :               0.00445794826721
                   +1 :              -0.00312065870000
                3d
                   -2 :               0.00002011892328
                   -1 :              -0.00036472003796
                   +0 :               0.00038607747464
                   +1 :               0.00013066411727
                   +2 :               0.00032808803902
              3 vec=     7.360812      1.739405      4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00024084185963
                2s
                   +0 :              -0.00181857646291
                3s
                   +0 :               0.00109117396396
                2p
                   -1 :              -0.00108153897024
                   +0 :              -0.00495005923858
                   +1 :              -0.00016693917134
                3p
                   -1 :               0.00060622018806
                   +0 :               0.00275158321101
                   +1 :               0.00069248221161
                3d
                   -2 :               0.00009760761637
                   -1 :              -0.00002633427404
                   +0 :              -0.00009027822861
                   +1 :               0.00028238357467
                   +2 :               0.00007609463833
              4 vec=    -8.199513      1.739405      4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00011388865063
                2s
                   +0 :              -0.00060956028347
                3s
                   +0 :               0.00048356154190
                2p
                   -1 :              -0.00184460609426
                   +0 :               0.00025184401847
                   +1 :               0.00088615886266
                3p
                   -1 :               0.00168489624198
                   +0 :              -0.00066951155497
                   +1 :              -0.00123865173164
                3d
                   -2 :              -0.00012082519058
                   -1 :               0.00001080477947
                   +0 :              -0.00008109129554
                   +1 :               0.00003831335670
                   +2 :               0.00008088019573
              5 vec=     7.360812     -7.244353      4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00018134539668
                2s
                   +0 :               0.00064498993933
                3s
                   +0 :              -0.00058523556384
                2p
                   -1 :              -0.00008168226862
                   +0 :              -0.00062566141232
                   +1 :               0.00036251345155
                3p
                   -1 :               0.00017045266701
                   +0 :               0.00008611996835
                   +1 :              -0.00074946329329
                3d
                   -2 :               0.00003105087193
                   -1 :              -0.00000423391513
                   +0 :              -0.00000253819813
                   +1 :              -0.00000249023128
                   +2 :              -0.00003706020869
              6 vec=    -8.199513     -7.244353      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00007851258510
                2s
                   +0 :               0.00020814003840
                3s
                   +0 :              -0.00016499786634
                2p
                   -1 :               0.00022664922551
                   +0 :               0.00028565074809
                   +1 :              -0.00060780622197
                3p
                   -1 :              -0.00021370173328
                   +0 :              -0.00024559572370
                   +1 :               0.00077051876544
                3d
                   -2 :              -0.00003971353259
                   -1 :              -0.00000353544694
                   +0 :               0.00007173929751
                   +1 :              -0.00004087643120
                   +2 :              -0.00001607318812
              7 vec=    -0.419351    -11.736232      4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00000939151398
                2s
                   +0 :              -0.00053827294200
                3s
                   +0 :              -0.00003071839882
                2p
                   -1 :               0.00077679969402
                   +0 :              -0.00063368472515
                   +1 :              -0.00013516429260
                3p
                   -1 :              -0.00052691225444
                   +0 :               0.00054987465480
                   +1 :               0.00012108381635
                3d
                   -2 :              -0.00000106566786
                   -1 :              -0.00008395740145
                   +0 :               0.00002979320041
                   +1 :              -0.00000352793403
                   +2 :              -0.00000348109107
              8 vec=     7.360812     10.723163      4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00001944856018
                2s
                   +0 :               0.00030094891896
                3s
                   +0 :               0.00014645443230
                2p
                   -1 :              -0.00013972725629
                   +0 :               0.00057510517968
                   +1 :              -0.00007347106977
                3p
                   -1 :               0.00012635784545
                   +0 :              -0.00007225221652
                   +1 :               0.00029281865203
                3d
                   -2 :               0.00001056721452
                   -1 :              -0.00000503992972
                   +0 :               0.00000708533622
                   +1 :               0.00003311143780
                   +2 :               0.00001096493923
              9 vec=    -8.199513     10.723163      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00006055449030
                2s
                   +0 :               0.00056937994450
                3s
                   +0 :              -0.00014592263737
                2p
                   -1 :               0.00006677696839
                   +0 :               0.00025032002593
                   +1 :              -0.00046018878903
                3p
                   -1 :              -0.00006824587644
                   +0 :              -0.00005241500494
                   +1 :               0.00027483430999
                3d
                   -2 :               0.00003379663457
                   -1 :              -0.00000081634249
                   +0 :               0.00001266803633
                   +1 :               0.00001572216138
                   +2 :               0.00000126740631
             10 vec=    -0.419351     15.215042      4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000277636380
                2s
                   +0 :               0.00005528747071
                3s
                   +0 :               0.00001142444532
                2p
                   -1 :               0.00004906580050
                   +0 :               0.00006869471451
                   +1 :               0.00010852554283
                3p
                   -1 :              -0.00001567355255
                   +0 :               0.00000443071684
                   +1 :              -0.00010022023497
                3d
                   -2 :              -0.00000565770847
                   -1 :              -0.00000610650435
                   +0 :               0.00000253517931
                   +1 :              -0.00000820674851
                   +2 :              -0.00001073326681
             11 vec=    15.140975     -2.752474      4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00002037655406
                2s
                   +0 :              -0.00009686954209
                3s
                   +0 :               0.00004805618827
                2p
                   -1 :              -0.00005350165598
                   +0 :              -0.00015419986475
                   +1 :               0.00003741474087
                3p
                   -1 :               0.00001046120564
                   +0 :               0.00011029587153
                   +1 :              -0.00004257970873
                3d
                   -2 :               0.00000643092187
                   -1 :              -0.00000467149247
                   +0 :               0.00000026173737
                   +1 :               0.00001477916847
                   +2 :              -0.00000287119197
             12 vec=   -15.979676     -2.752474      4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00001011354173
                2s
                   +0 :               0.00005768538457
                3s
                   +0 :              -0.00003469165476
                2p
                   -1 :              -0.00017112740846
                   +0 :              -0.00002712066146
                   +1 :               0.00005820311599
                3p
                   -1 :               0.00012704035568
                   +0 :               0.00000595801483
                   +1 :              -0.00005458153225
                3d
                   -2 :              -0.00000189562900
                   -1 :              -0.00000318043016
                   +0 :              -0.00000417058385
                   +1 :              -0.00000232083449
                   +2 :               0.00000719296498
             13 vec=    15.140975      6.231284      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00001345172831
                2s
                   +0 :               0.00010156296014
                3s
                   +0 :              -0.00004549722722
                2p
                   -1 :              -0.00003145918295
                   +0 :               0.00000419123887
                   +1 :               0.00016395438287
                3p
                   -1 :               0.00003961185681
                   +0 :               0.00000592004160
                   +1 :              -0.00012920923935
                3d
                   -2 :               0.00000506268062
                   -1 :               0.00000145081727
                   +0 :               0.00000255935417
                   +1 :               0.00000346243362
                   +2 :              -0.00000174906735
             14 vec=   -15.979676      6.231284      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00001163775939
                2s
                   +0 :               0.00008724224393
                3s
                   +0 :              -0.00002936170096
                2p
                   -1 :               0.00010055377125
                   +0 :               0.00003912358573
                   +1 :              -0.00007715429514
                3p
                   -1 :              -0.00007901695661
                   +0 :              -0.00001190020054
                   +1 :               0.00004530986126
                3d
                   -2 :               0.00000903811897
                   -1 :               0.00000275611554
                   +0 :               0.00000338426063
                   +1 :               0.00000087292656
                   +2 :              -0.00000370121755
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 26)  npairs=  14
              1 vec=     2.593647      1.739405      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00296594904048
                2s
                   +0 :               0.03437356432633
                3s
                   +0 :              -0.00617399183098
                2p
                   -1 :               0.00238444255170
                   +0 :               0.01228475095200
                   +1 :               0.01091662188179
                3p
                   -1 :              -0.00301336519309
                   +0 :               0.00221979141700
                   +1 :              -0.00069900893373
                3d
                   -2 :              -0.00017485186252
                   -1 :              -0.00083049143351
                   +0 :               0.00142811123287
                   +1 :               0.00166563210859
                   +2 :               0.00077993967423
              2 vec=    -5.186516     -2.752474      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00063558325492
                2s
                   +0 :              -0.00440806618844
                3s
                   +0 :               0.00273401848427
                2p
                   -1 :               0.00374299004356
                   +0 :              -0.00581700097510
                   +1 :               0.00238738849757
                3p
                   -1 :              -0.00323090384483
                   +0 :               0.00416811543966
                   +1 :              -0.00171605964722
                3d
                   -2 :               0.00006217291902
                   -1 :              -0.00046866956637
                   +0 :               0.00030396271863
                   +1 :              -0.00051904891362
                   +2 :              -0.00003697859678
              3 vec=     2.593647     -7.244353      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00007227925252
                2s
                   +0 :              -0.00029046012812
                3s
                   +0 :              -0.00005434016983
                2p
                   -1 :               0.00169535944038
                   +0 :              -0.00334089519342
                   +1 :              -0.00061848376647
                3p
                   -1 :              -0.00075538202375
                   +0 :               0.00062823385514
                   +1 :               0.00112090319397
                3d
                   -2 :              -0.00011856326742
                   -1 :              -0.00003932261547
                   +0 :              -0.00013847627271
                   +1 :               0.00011876216106
                   +2 :              -0.00014003124917
              4 vec=    -5.186516      6.231284      4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00036907538987
                2s
                   +0 :               0.00205470094280
                3s
                   +0 :              -0.00073216325876
                2p
                   -1 :              -0.00129546577907
                   +0 :               0.00241498919515
                   +1 :              -0.00078382188434
                3p
                   -1 :               0.00097426843977
                   +0 :              -0.00015744274383
                   +1 :               0.00027227665177
                3d
                   -2 :              -0.00016993828378
                   -1 :               0.00015398335073
                   +0 :               0.00000557010931
                   +1 :              -0.00022652196981
                   +2 :              -0.00000574294884
              5 vec=    10.373810     -2.752474      4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00016137744113
                2s
                   +0 :               0.00081608712472
                3s
                   +0 :              -0.00038244328075
                2p
                   -1 :              -0.00043678450737
                   +0 :              -0.00062156111602
                   +1 :               0.00063254115547
                3p
                   -1 :               0.00019504936680
                   +0 :               0.00047278728696
                   +1 :              -0.00038637179100
                3d
                   -2 :              -0.00002452158906
                   -1 :              -0.00003451947740
                   +0 :              -0.00007022557274
                   +1 :               0.00005372050256
                   +2 :               0.00000669452623
              6 vec=     2.593647     10.723163      4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00000971683139
                2s
                   +0 :               0.00018130906754
                3s
                   +0 :               0.00011284822370
                2p
                   -1 :               0.00065574140378
                   +0 :               0.00067971687148
                   +1 :               0.00010566517345
                3p
                   -1 :              -0.00036911856860
                   +0 :              -0.00053849081366
                   +1 :              -0.00003166213938
                3d
                   -2 :               0.00004277366471
                   -1 :              -0.00001477205245
                   +0 :              -0.00008740880685
                   +1 :              -0.00002737651578
                   +2 :              -0.00003871939109
              7 vec=    10.373810      6.231284      4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00005682834308
                2s
                   +0 :               0.00044353936151
                3s
                   +0 :              -0.00018059226162
                2p
                   -1 :               0.00012088143212
                   +0 :              -0.00016144591855
                   +1 :              -0.00010500950754
                3p
                   -1 :              -0.00007813876362
                   +0 :               0.00013910077677
                   +1 :               0.00009138716142
                3d
                   -2 :               0.00000888338207
                   -1 :               0.00001592673095
                   +0 :               0.00000555499411
                   +1 :              -0.00000698330916
                   +2 :               0.00000563472204
              8 vec=    -5.186516    -11.736232      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00001321193941
                2s
                   +0 :              -0.00029166240336
                3s
                   +0 :              -0.00015274530166
                2p
                   -1 :              -0.00022261805553
                   +0 :              -0.00014106193968
                   +1 :              -0.00018533588090
                3p
                   -1 :               0.00034538242069
                   +0 :              -0.00015233543582
                   +1 :               0.00011765780503
                3d
                   -2 :              -0.00000521648141
                   -1 :               0.00001453525345
                   +0 :              -0.00003664838634
                   +1 :              -0.00001885521934
                   +2 :               0.00001810542777
              9 vec=   -12.966678      1.739405      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00010401333345
                2s
                   +0 :               0.00076076480567
                3s
                   +0 :              -0.00030488926909
                2p
                   -1 :              -0.00020248495124
                   +0 :               0.00016106207886
                   +1 :              -0.00026965292227
                3p
                   -1 :               0.00015511476076
                   +0 :              -0.00009136078846
                   +1 :               0.00009176377342
                3d
                   -2 :              -0.00003625124434
                   -1 :               0.00000019835750
                   +0 :               0.00000381711668
                   +1 :               0.00000449908699
                   +2 :              -0.00000280095513
             10 vec=   -12.966678     -7.244353      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00000912547596
                2s
                   +0 :              -0.00007513251421
                3s
                   +0 :              -0.00001287992473
                2p
                   -1 :              -0.00008958390388
                   +0 :              -0.00013558709272
                   +1 :               0.00010416118694
                3p
                   -1 :               0.00006901146952
                   +0 :               0.00008922936609
                   +1 :              -0.00002072328715
                3d
                   -2 :              -0.00000528916273
                   -1 :              -0.00000810258831
                   +0 :              -0.00000834955521
                   +1 :              -0.00000813907176
                   +2 :               0.00000463292819
             11 vec=    10.373810    -11.736232      4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00002650229103
                2s
                   +0 :              -0.00018587894112
                3s
                   +0 :               0.00005137125821
                2p
                   -1 :               0.00013750051306
                   +0 :               0.00013224334014
                   +1 :              -0.00018142358914
                3p
                   -1 :              -0.00006774822016
                   +0 :              -0.00015112279224
                   +1 :               0.00005274783802
                3d
                   -2 :              -0.00000519066778
                   -1 :               0.00000955845854
                   +0 :               0.00000417222010
                   +1 :              -0.00000756527354
                   +2 :               0.00000294393364
             12 vec=    -5.186516     15.215042      4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00001251692459
                2s
                   +0 :               0.00014254703916
                3s
                   +0 :              -0.00004814208713
                2p
                   -1 :              -0.00003482104109
                   +0 :              -0.00003562621474
                   +1 :              -0.00001021722664
                3p
                   -1 :               0.00010770036238
                   +0 :               0.00005367779181
                   +1 :              -0.00002963967549
                3d
                   -2 :              -0.00001873877788
                   -1 :              -0.00001218439900
                   +0 :              -0.00000610649404
                   +1 :              -0.00000045242943
                   +2 :               0.00000092564740
             13 vec=     2.593647    -16.228111      4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00002367064048
                2s
                   +0 :              -0.00014731620578
                3s
                   +0 :               0.00004229992553
                2p
                   -1 :               0.00002151348829
                   +0 :               0.00006851399098
                   +1 :              -0.00003365037753
                3p
                   -1 :               0.00004728617270
                   +0 :              -0.00005916786335
                   +1 :               0.00001885970374
                3d
                   -2 :               0.00000924487549
                   -1 :              -0.00000179196348
                   +0 :              -0.00000271468267
                   +1 :              -0.00000141503263
                   +2 :               0.00000669369770
             14 vec=   -12.966678     10.723163      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00000009668963
                2s
                   +0 :               0.00001627678887
                3s
                   +0 :               0.00000211845617
                2p
                   -1 :              -0.00002244450017
                   +0 :               0.00001763414341
                   +1 :              -0.00005526487413
                3p
                   -1 :               0.00004503731548
                   +0 :              -0.00003614269077
                   +1 :               0.00001549054933
                3d
                   -2 :              -0.00000143503412
                   -1 :               0.00000245426170
                   +0 :              -0.00000499328707
                   +1 :               0.00000407356155
                   +2 :               0.00000278528181
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 27)  npairs=  14
              1 vec=    -2.802933      1.376012      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00221058829045
                2s
                   +0 :               0.02672472144523
                3s
                   +0 :              -0.00558914470665
                2p
                   -1 :               0.00577982221734
                   +0 :               0.01151252531178
                   +1 :              -0.01406849734946
                3p
                   -1 :              -0.00799583105869
                   +0 :              -0.00065458968512
                   +1 :               0.00453912677296
                3d
                   -2 :               0.00045482087014
                   -1 :              -0.00131468292136
                   +0 :               0.00047956054896
                   +1 :              -0.00113811656498
                   +2 :               0.00076892188389
              2 vec=     4.977229     -3.115867      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00038436106357
                2s
                   +0 :              -0.00174035171191
                3s
                   +0 :               0.00133978536502
                2p
                   -1 :               0.00541245426729
                   +0 :               0.00078304917530
                   +1 :              -0.00085243051303
                3p
                   -1 :              -0.00528364663929
                   +0 :              -0.00105789476873
                   +1 :               0.00064564792015
                3d
                   -2 :              -0.00016288336417
                   -1 :              -0.00006614599715
                   +0 :              -0.00013423732140
                   +1 :               0.00012331121106
                   +2 :               0.00004594335698
              3 vec=     4.977229      5.867891      4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00017486477756
                2s
                   +0 :              -0.00156768114385
                3s
                   +0 :               0.00070223626033
                2p
                   -1 :               0.00091591272404
                   +0 :               0.00127699700505
                   +1 :              -0.00022016217991
                3p
                   -1 :              -0.00088140676645
                   +0 :              -0.00044241972754
                   +1 :               0.00045255633605
                3d
                   -2 :              -0.00008247944277
                   -1 :               0.00001072595300
                   +0 :               0.00005223703671
                   +1 :               0.00009200214554
                   +2 :               0.00013425728051
              4 vec=    -2.802933     -7.607746      4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00019806595995
                2s
                   +0 :              -0.00097670417252
                3s
                   +0 :               0.00037477226891
                2p
                   -1 :               0.00169891664587
                   +0 :              -0.00275629219543
                   +1 :              -0.00018494816782
                3p
                   -1 :              -0.00099635660173
                   +0 :               0.00184957442945
                   +1 :              -0.00011775768135
                3d
                   -2 :               0.00003499696087
                   -1 :              -0.00006171735826
                   +0 :              -0.00001806173971
                   +1 :              -0.00000311513976
                   +2 :              -0.00005570630150
              5 vec=    -2.802933     10.359770      4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00007033332841
                2s
                   +0 :               0.00090447597042
                3s
                   +0 :              -0.00028741872743
                2p
                   -1 :               0.00131348149406
                   +0 :               0.00007717283094
                   +1 :              -0.00013229445515
                3p
                   -1 :              -0.00090618094143
                   +0 :               0.00015416939111
                   +1 :              -0.00011556315713
                3d
                   -2 :              -0.00004608990017
                   -1 :               0.00006107297677
                   +0 :               0.00004618441929
                   +1 :              -0.00010212448295
                   +2 :               0.00006304809148
              6 vec=   -10.583096     -3.115867      4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00000076233624
                2s
                   +0 :              -0.00018335014820
                3s
                   +0 :               0.00006640138727
                2p
                   -1 :               0.00008368079986
                   +0 :              -0.00081168256773
                   +1 :              -0.00020649754814
                3p
                   -1 :              -0.00025798848182
                   +0 :               0.00067446088066
                   +1 :               0.00011238301749
                3d
                   -2 :               0.00001219791473
                   -1 :              -0.00003321288182
                   +0 :              -0.00009984089871
                   +1 :              -0.00004003353407
                   +2 :              -0.00000900455737
              7 vec=   -10.583096      5.867891      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00002784943227
                2s
                   +0 :               0.00046880371848
                3s
                   +0 :              -0.00005749600338
                2p
                   -1 :               0.00047907355062
                   +0 :               0.00038111777772
                   +1 :               0.00009166536014
                3p
                   -1 :              -0.00025473179172
                   +0 :              -0.00022740284260
                   +1 :              -0.00009230766283
                3d
                   -2 :              -0.00002433520960
                   -1 :               0.00001978756986
                   +0 :              -0.00000334154099
                   +1 :               0.00001751706736
                   +2 :               0.00002282413800
              8 vec=    12.757392      1.376012      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00004379578037
                2s
                   +0 :               0.00035517010546
                3s
                   +0 :              -0.00008710727392
                2p
                   -1 :              -0.00038670407003
                   +0 :               0.00011928786183
                   +1 :               0.00016129665710
                3p
                   -1 :               0.00033027015892
                   +0 :              -0.00006653642426
                   +1 :               0.00000026282249
                3d
                   -2 :               0.00003281820850
                   -1 :              -0.00002565213402
                   +0 :               0.00002410256800
                   +1 :              -0.00001334568056
                   +2 :               0.00001982723368
              9 vec=     4.977229    -12.099625      4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00000092630048
                2s
                   +0 :              -0.00039098831497
                3s
                   +0 :              -0.00010281209766
                2p
                   -1 :              -0.00024941722959
                   +0 :              -0.00027803072228
                   +1 :               0.00004149620491
                3p
                   -1 :               0.00039445627607
                   +0 :              -0.00007993458820
                   +1 :              -0.00003088751214
                3d
                   -2 :               0.00000643482253
                   -1 :               0.00001579156655
                   +0 :              -0.00002019410408
                   +1 :               0.00002084718131
                   +2 :               0.00001130589081
             10 vec=    12.757392     -7.607746      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00002023040482
                2s
                   +0 :              -0.00013193715583
                3s
                   +0 :               0.00002631113253
                2p
                   -1 :               0.00008434492623
                   +0 :              -0.00007352330628
                   +1 :              -0.00015036566864
                3p
                   -1 :              -0.00007140995478
                   +0 :               0.00005543553005
                   +1 :               0.00004948454704
                3d
                   -2 :              -0.00000630723789
                   -1 :               0.00000453384265
                   +0 :              -0.00000827021911
                   +1 :               0.00000578883900
                   +2 :              -0.00000371997202
             11 vec=     4.977229     14.851649      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000031069592
                2s
                   +0 :               0.00009302348446
                3s
                   +0 :              -0.00000840419348
                2p
                   -1 :               0.00013846704607
                   +0 :               0.00010415582353
                   +1 :               0.00004363965963
                3p
                   -1 :              -0.00001790580088
                   +0 :              -0.00004711124709
                   +1 :              -0.00000499751443
                3d
                   -2 :               0.00000379225466
                   -1 :              -0.00000977681468
                   +0 :              -0.00001646757299
                   +1 :              -0.00000813706134
                   +2 :               0.00000309522712
             12 vec=   -10.583096    -12.099625      4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00003451156647
                2s
                   +0 :              -0.00024102791787
                3s
                   +0 :               0.00007518296719
                2p
                   -1 :               0.00005392469490
                   +0 :               0.00013060113045
                   +1 :               0.00013115446722
                3p
                   -1 :               0.00001849080888
                   +0 :              -0.00017193869197
                   +1 :              -0.00002524575086
                3d
                   -2 :               0.00000095144858
                   -1 :               0.00000149617376
                   +0 :               0.00000336839687
                   +1 :               0.00001276668996
                   +2 :              -0.00000354776081
             13 vec=    12.757392     10.359770      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00001990744294
                2s
                   +0 :               0.00013919386333
                3s
                   +0 :              -0.00005597685339
                2p
                   -1 :               0.00008945618612
                   +0 :               0.00005065927839
                   +1 :               0.00005852499565
                3p
                   -1 :              -0.00006354921315
                   +0 :              -0.00002389217193
                   +1 :              -0.00001946737293
                3d
                   -2 :               0.00000573372120
                   -1 :              -0.00000259801113
                   +0 :               0.00000623393313
                   +1 :               0.00000129991418
                   +2 :               0.00000133433219
             14 vec=    -2.802933    -16.591504      4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00001771065089
                2s
                   +0 :              -0.00013571223851
                3s
                   +0 :               0.00003339195589
                2p
                   -1 :              -0.00005393209217
                   +0 :              -0.00000865531585
                   +1 :               0.00009249387037
                3p
                   -1 :               0.00011928198051
                   +0 :              -0.00003196859249
                   +1 :              -0.00006212025725
                3d
                   -2 :              -0.00000664801712
                   -1 :               0.00000126070447
                   +0 :              -0.00000443150672
                   +1 :              -0.00000187812528
                   +2 :               0.00000733113830
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 28)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00027818800627
                2s
                   +0 :              -0.00287432791826
                3s
                   +0 :               0.00044645140034
                2p
                   -1 :              -0.00070883362837
                   +0 :               0.00238258178313
                   +1 :              -0.00279416780236
                3p
                   -1 :               0.00059428978742
                   +0 :              -0.00054209229551
                   +1 :               0.00054643224131
                3d
                   -2 :              -0.00004488614838
                   -1 :              -0.00009130281508
                   +0 :              -0.00000796778507
                   +1 :               0.00009051926889
                   +2 :              -0.00010158263552
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00004403345562
                2s
                   +0 :              -0.00009177890989
                3s
                   +0 :               0.00030320623066
                2p
                   -1 :               0.00173159146915
                   +0 :              -0.00178674210498
                   +1 :              -0.00019051397733
                3p
                   -1 :              -0.00055442817112
                   +0 :               0.00058771782822
                   +1 :              -0.00004227630567
                3d
                   -2 :               0.00003758635548
                   -1 :              -0.00007101551540
                   +0 :              -0.00003413295802
                   +1 :               0.00010689893164
                   +2 :               0.00001403447945
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00033095588466
                2s
                   +0 :               0.00249619089521
                3s
                   +0 :              -0.00064465093125
                2p
                   -1 :              -0.00005436653574
                   +0 :              -0.00185097307044
                   +1 :              -0.00356212347883
                3p
                   -1 :              -0.00082214723354
                   +0 :              -0.00023742082623
                   +1 :               0.00181015687346
                3d
                   -2 :               0.00016519166642
                   -1 :               0.00015762949180
                   +0 :               0.00009270020304
                   +1 :               0.00000389774480
                   +2 :              -0.00006918145401
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00005229323637
                2s
                   +0 :               0.00031530119521
                3s
                   +0 :              -0.00003529488968
                2p
                   -1 :               0.00043686419502
                   +0 :               0.00009868117157
                   +1 :               0.00019814505110
                3p
                   -1 :              -0.00045128804850
                   +0 :               0.00003560833320
                   +1 :              -0.00000120745709
                3d
                   -2 :              -0.00000568862091
                   -1 :              -0.00000532997384
                   +0 :               0.00000443415736
                   +1 :              -0.00002885312248
                   +2 :               0.00005772511811
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000318681349
                2s
                   +0 :              -0.00014391276211
                3s
                   +0 :              -0.00003498014360
                2p
                   -1 :               0.00002590605902
                   +0 :              -0.00026603052767
                   +1 :              -0.00005915599972
                3p
                   -1 :              -0.00002635901657
                   +0 :               0.00021696631317
                   +1 :               0.00005987632343
                3d
                   -2 :              -0.00000095958938
                   -1 :               0.00000331298063
                   +0 :              -0.00002603816085
                   +1 :              -0.00002268665119
                   +2 :              -0.00001663968676
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001165250408
                2s
                   +0 :               0.00038131396349
                3s
                   +0 :               0.00003500486504
                2p
                   -1 :               0.00055082558357
                   +0 :              -0.00045256435480
                   +1 :               0.00027637227442
                3p
                   -1 :              -0.00032348583437
                   +0 :               0.00026759434605
                   +1 :              -0.00020351990799
                3d
                   -2 :              -0.00000399325533
                   -1 :               0.00001685192080
                   +0 :              -0.00006428149343
                   +1 :              -0.00000454614653
                   +2 :               0.00003496618908
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00001151299304
                2s
                   +0 :              -0.00008084124887
                3s
                   +0 :               0.00001887160651
                2p
                   -1 :              -0.00021404299515
                   +0 :               0.00026859763184
                   +1 :              -0.00000051057400
                3p
                   -1 :               0.00020941442429
                   +0 :              -0.00017069848796
                   +1 :              -0.00003825302998
                3d
                   -2 :               0.00001466799192
                   -1 :              -0.00001267728473
                   +0 :               0.00001816609044
                   +1 :              -0.00001278273874
                   +2 :               0.00001066142454
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000666132836
                2s
                   +0 :              -0.00011166517457
                3s
                   +0 :               0.00000157617443
                2p
                   -1 :               0.00008539133088
                   +0 :               0.00024627266225
                   +1 :              -0.00010147785333
                3p
                   -1 :              -0.00001133816734
                   +0 :              -0.00013017819073
                   +1 :               0.00009946840817
                3d
                   -2 :              -0.00000424963976
                   -1 :              -0.00000371278373
                   +0 :              -0.00000455300971
                   +1 :              -0.00000673736366
                   +2 :               0.00000058644091
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00002139770589
                2s
                   +0 :               0.00015384754683
                3s
                   +0 :              -0.00004292591497
                2p
                   -1 :              -0.00009310546204
                   +0 :              -0.00010426955436
                   +1 :               0.00020669112319
                3p
                   -1 :               0.00006371415462
                   +0 :               0.00004139573821
                   +1 :              -0.00011789771476
                3d
                   -2 :               0.00000129981659
                   -1 :              -0.00000100521336
                   +0 :              -0.00000136758372
                   +1 :               0.00001078614497
                   +2 :              -0.00000906827493
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00004323905558
                2s
                   +0 :               0.00029500379422
                3s
                   +0 :              -0.00012660088763
                2p
                   -1 :               0.00019815565562
                   +0 :              -0.00014281758074
                   +1 :              -0.00005071318210
                3p
                   -1 :              -0.00011004728356
                   +0 :               0.00009739502513
                   +1 :               0.00006211666437
                3d
                   -2 :              -0.00002567026901
                   -1 :               0.00000972502514
                   +0 :               0.00000481771006
                   +1 :              -0.00000765307599
                   +2 :               0.00000009928110
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000696817979
                2s
                   +0 :               0.00001360912913
                3s
                   +0 :              -0.00003793253924
                2p
                   -1 :               0.00002734424692
                   +0 :               0.00008615182116
                   +1 :              -0.00012230141652
                3p
                   -1 :              -0.00002298074400
                   +0 :              -0.00006505884518
                   +1 :               0.00015893936710
                3d
                   -2 :               0.00000970986373
                   -1 :              -0.00000700041982
                   +0 :               0.00000801122133
                   +1 :               0.00000887526977
                   +2 :              -0.00000785885422
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000771181030
                2s
                   +0 :              -0.00005395760489
                3s
                   +0 :               0.00003890637542
                2p
                   -1 :              -0.00005068913414
                   +0 :              -0.00005771863995
                   +1 :              -0.00001202683447
                3p
                   -1 :               0.00005946616295
                   +0 :               0.00007064779983
                   +1 :              -0.00000666268707
                3d
                   -2 :              -0.00001246428021
                   -1 :               0.00000131670459
                   +0 :              -0.00000646974588
                   +1 :              -0.00000887367839
                   +2 :               0.00000088873357
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00001437809355
                2s
                   +0 :               0.00008355209389
                3s
                   +0 :              -0.00005094438675
                2p
                   -1 :              -0.00001365634404
                   +0 :               0.00003403103404
                   +1 :              -0.00008588432970
                3p
                   -1 :              -0.00000891686053
                   +0 :              -0.00002227736444
                   +1 :               0.00006076057797
                3d
                   -2 :               0.00000447940196
                   -1 :              -0.00000350711944
                   +0 :               0.00000527586533
                   +1 :               0.00000172736195
                   +2 :              -0.00000001614659
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001669966421
                2s
                   +0 :               0.00013725504584
                3s
                   +0 :              -0.00003987498425
                2p
                   -1 :               0.00000274574476
                   +0 :               0.00010768176895
                   +1 :              -0.00000674595254
                3p
                   -1 :              -0.00000057609367
                   +0 :              -0.00005011967239
                   +1 :               0.00002581887300
                3d
                   -2 :               0.00000578861187
                   -1 :               0.00000044707964
                   +0 :               0.00000093964287
                   +1 :               0.00000486859160
                   +2 :               0.00000150817621
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001504432516
                2s
                   +0 :               0.00004733277584
                3s
                   +0 :              -0.00006793919321
                2p
                   -1 :              -0.00009599448431
                   +0 :               0.00001197229196
                   +1 :              -0.00004103712867
                3p
                   -1 :               0.00004347447823
                   +0 :              -0.00006955448732
                   +1 :               0.00003449474903
                3d
                   -2 :               0.00000383735450
                   -1 :              -0.00000343170154
                   +0 :              -0.00000423465862
                   +1 :               0.00000143003825
                   +2 :              -0.00000052416949
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 29)  npairs=  14
              1 vec=    -0.418832      0.000150     -8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00038979294223
                2s
                   +0 :               0.00239659390491
                3s
                   +0 :              -0.00085246888223
                2p
                   -1 :              -0.00270091064230
                   +0 :              -0.00143625447633
                   +1 :               0.00083121570587
                3p
                   -1 :               0.00102852116084
                   +0 :               0.00041600978895
                   +1 :              -0.00083573949107
                3d
                   -2 :              -0.00010768573563
                   -1 :              -0.00000345765022
                   +0 :               0.00021404706022
                   +1 :               0.00006785934749
                   +2 :               0.00006458398913
              2 vec=     7.361331     -4.491729     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00007404233684
                2s
                   +0 :               0.00026215211217
                3s
                   +0 :              -0.00016075662734
                2p
                   -1 :               0.00021348675617
                   +0 :              -0.00013354641102
                   +1 :              -0.00120882406758
                3p
                   -1 :              -0.00037642396144
                   +0 :               0.00005862666486
                   +1 :               0.00086432971464
                3d
                   -2 :              -0.00008115612969
                   -1 :               0.00006626791981
                   +0 :              -0.00001174981584
                   +1 :              -0.00000686698310
                   +2 :              -0.00002225527709
              3 vec=     7.361331      4.492029     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00004297725549
                2s
                   +0 :               0.00065161777850
                3s
                   +0 :              -0.00010622425375
                2p
                   -1 :               0.00046962089168
                   +0 :              -0.00032450761900
                   +1 :              -0.00003698904820
                3p
                   -1 :              -0.00053765479110
                   +0 :              -0.00002444804218
                   +1 :               0.00020508783185
                3d
                   -2 :              -0.00005026924833
                   -1 :               0.00002860319826
                   +0 :               0.00001839554415
                   +1 :              -0.00001609634693
                   +2 :               0.00004934320537
              4 vec=    -0.418832     -8.983608     -8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00014189347177
                2s
                   +0 :              -0.00145264535689
                3s
                   +0 :               0.00036381415109
                2p
                   -1 :               0.00106125247849
                   +0 :               0.00063280425774
                   +1 :               0.00061304288312
                3p
                   -1 :              -0.00047422694464
                   +0 :              -0.00008621011058
                   +1 :              -0.00041442717405
                3d
                   -2 :               0.00003054070942
                   -1 :               0.00002874697420
                   +0 :              -0.00003988730835
                   +1 :               0.00000380856876
                   +2 :              -0.00002124002957
              5 vec=    -0.418832      8.983908     -8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00028675586465
                2s
                   +0 :              -0.00143900157497
                3s
                   +0 :               0.00100282362693
                2p
                   -1 :              -0.00089126665640
                   +0 :               0.00077832341728
                   +1 :              -0.00181830348987
                3p
                   -1 :               0.00097611008972
                   +0 :              -0.00071886311264
                   +1 :               0.00152441476867
                3d
                   -2 :               0.00009163604109
                   -1 :              -0.00015061679154
                   +0 :               0.00006773624166
                   +1 :              -0.00012625885981
                   +2 :              -0.00004771028150
              6 vec=    -8.198995     -4.491729     -8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00004509518443
                2s
                   +0 :               0.00012903801967
                3s
                   +0 :              -0.00014999823298
                2p
                   -1 :               0.00014538424739
                   +0 :               0.00035090607696
                   +1 :               0.00087791451561
                3p
                   -1 :              -0.00024770761028
                   +0 :              -0.00025119060374
                   +1 :              -0.00057420540496
                3d
                   -2 :               0.00002767375641
                   -1 :               0.00000918811499
                   +0 :               0.00000149326146
                   +1 :               0.00002348229284
                   +2 :              -0.00000606165966
              7 vec=    -8.198995      4.492029     -8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00000279473341
                2s
                   +0 :               0.00028590498712
                3s
                   +0 :              -0.00000614830990
                2p
                   -1 :              -0.00049777494830
                   +0 :              -0.00051917216911
                   +1 :              -0.00024079679296
                3p
                   -1 :               0.00031629091017
                   +0 :               0.00030447388113
                   +1 :               0.00005131425679
                3d
                   -2 :              -0.00000297392189
                   -1 :               0.00001530960995
                   +0 :               0.00002582633180
                   +1 :              -0.00000471922919
                   +2 :              -0.00002591292997
              8 vec=    -0.418832      0.000150     16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000699033956
                2s
                   +0 :               0.00003377236694
                3s
                   +0 :              -0.00002185889975
                2p
                   -1 :              -0.00003914798990
                   +0 :              -0.00003984783855
                   +1 :               0.00006646014419
                3p
                   -1 :              -0.00000400958253
                   +0 :               0.00001889144665
                   +1 :              -0.00006889572630
                3d
                   -2 :               0.00000001253492
                   -1 :              -0.00000032249008
                   +0 :               0.00000401155405
                   +1 :              -0.00000822964127
                   +2 :              -0.00000438176584
              9 vec=    15.141493      0.000150     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00002669791211
                2s
                   +0 :               0.00019531168095
                3s
                   +0 :              -0.00010023428772
                2p
                   -1 :               0.00001687533787
                   +0 :              -0.00001231107946
                   +1 :               0.00006105227600
                3p
                   -1 :              -0.00003306378635
                   +0 :               0.00001948963405
                   +1 :              -0.00001810953091
                3d
                   -2 :              -0.00000580066190
                   -1 :               0.00000484794686
                   +0 :               0.00000066179135
                   +1 :              -0.00000257625840
                   +2 :               0.00000560117969
             10 vec=     7.361331    -13.475487     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000207462698
                2s
                   +0 :              -0.00008495805516
                3s
                   +0 :              -0.00001140496284
                2p
                   -1 :               0.00001621537618
                   +0 :               0.00009368660027
                   +1 :              -0.00004428996470
                3p
                   -1 :               0.00004316817410
                   +0 :              -0.00000366876547
                   +1 :              -0.00003098825379
                3d
                   -2 :               0.00001101051513
                   -1 :               0.00000114006040
                   +0 :               0.00000297781644
                   +1 :               0.00000554368633
                   +2 :               0.00000285492394
             11 vec=     7.361331     13.475787     -8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00002141477928
                2s
                   +0 :               0.00016118562937
                3s
                   +0 :              -0.00005548891728
                2p
                   -1 :               0.00008377678531
                   +0 :              -0.00000985881396
                   +1 :               0.00026851712595
                3p
                   -1 :              -0.00001089918956
                   +0 :              -0.00002101961699
                   +1 :              -0.00021024411118
                3d
                   -2 :              -0.00000339110028
                   -1 :              -0.00001700457149
                   +0 :              -0.00000442482153
                   +1 :               0.00000204522799
                   +2 :              -0.00001789181501
             12 vec=    -8.198995    -13.475487     -8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00001762741394
                2s
                   +0 :              -0.00013250392305
                3s
                   +0 :               0.00002490914545
                2p
                   -1 :               0.00003361235522
                   +0 :               0.00005139547351
                   +1 :               0.00007230988635
                3p
                   -1 :              -0.00001399096541
                   +0 :               0.00001764611428
                   +1 :              -0.00000022490723
                3d
                   -2 :              -0.00000167267720
                   -1 :               0.00000000729506
                   +0 :              -0.00000379719593
                   +1 :              -0.00000277584456
                   +2 :              -0.00000156777874
             13 vec=    -8.198995     13.475787     -8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00000265288971
                2s
                   +0 :               0.00000864086876
                3s
                   +0 :               0.00001854891230
                2p
                   -1 :              -0.00005847369083
                   +0 :               0.00010267101412
                   +1 :              -0.00005616551925
                3p
                   -1 :               0.00007211971423
                   +0 :              -0.00010013425398
                   +1 :               0.00003179827588
                3d
                   -2 :              -0.00000155664781
                   -1 :              -0.00000647126985
                   +0 :               0.00000793648198
                   +1 :               0.00000053710756
                   +2 :              -0.00001005321095
             14 vec=   -15.979157      0.000150     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000212231236
                2s
                   +0 :               0.00002277030555
                3s
                   +0 :              -0.00000468358622
                2p
                   -1 :              -0.00002880862160
                   +0 :              -0.00003503875779
                   +1 :              -0.00002708862246
                3p
                   -1 :               0.00001480114814
                   +0 :               0.00002450319712
                   +1 :               0.00000641356049
                3d
                   -2 :              -0.00000114311767
                   -1 :              -0.00000250320627
                   +0 :              -0.00000235967240
                   +1 :               0.00000157076308
                   +2 :              -0.00000008917351
WF             site_B          number of pairs
WF( 15)=[O_4_2py]  to site O ( 30)  npairs=  15
              1 vec=     4.977229      0.362644     -8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00009411350219
                2s
                   +0 :               0.00126702002129
                3s
                   +0 :               0.00006901454031
                2p
                   -1 :              -0.00321160308552
                   +0 :              -0.00123412703297
                   +1 :               0.00264616373965
                3p
                   -1 :               0.00203673910176
                   +0 :              -0.00091570423193
                   +1 :              -0.00075405843230
                3d
                   -2 :              -0.00006045551372
                   -1 :              -0.00014301160448
                   +0 :               0.00002655857737
                   +1 :              -0.00005683084523
                   +2 :               0.00009664110131
              2 vec=    -2.802933     -4.129235     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00035368707845
                2s
                   +0 :              -0.00344182576535
                3s
                   +0 :               0.00064334946605
                2p
                   -1 :              -0.00105092176126
                   +0 :               0.00371376912403
                   +1 :               0.00298410716566
                3p
                   -1 :               0.00079901421752
                   +0 :              -0.00087421887144
                   +1 :              -0.00040518260346
                3d
                   -2 :              -0.00001250937094
                   -1 :              -0.00003128931169
                   +0 :               0.00007156684244
                   +1 :              -0.00015303340010
                   +2 :              -0.00003463810544
              3 vec=    -2.802933      4.854523     -8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00013315705250
                2s
                   +0 :               0.00074553788654
                3s
                   +0 :              -0.00013640308193
                2p
                   -1 :               0.00199420216277
                   +0 :               0.00044419996595
                   +1 :               0.00124073168510
                3p
                   -1 :              -0.00113675210106
                   +0 :              -0.00109479310449
                   +1 :              -0.00094625116379
                3d
                   -2 :               0.00009186711836
                   -1 :               0.00001287380994
                   +0 :              -0.00006948618190
                   +1 :              -0.00005654756287
                   +2 :              -0.00005931158888
              4 vec=     4.977229     -8.621114     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00011516618278
                2s
                   +0 :              -0.00101246421041
                3s
                   +0 :               0.00036833582954
                2p
                   -1 :               0.00071322284387
                   +0 :               0.00018010209698
                   +1 :              -0.00013870965449
                3p
                   -1 :              -0.00052886708749
                   +0 :              -0.00014646552113
                   +1 :               0.00005164386063
                3d
                   -2 :              -0.00001048045757
                   -1 :               0.00004671985148
                   +0 :               0.00000551123639
                   +1 :              -0.00000651674671
                   +2 :              -0.00000603980881
              5 vec=     4.977229      9.346402     -8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00003098363492
                2s
                   +0 :               0.00044409727734
                3s
                   +0 :              -0.00004245205313
                2p
                   -1 :               0.00009951352823
                   +0 :               0.00018801090688
                   +1 :              -0.00005543666536
                3p
                   -1 :               0.00015105877372
                   +0 :              -0.00026157795418
                   +1 :               0.00011458415999
                3d
                   -2 :              -0.00001343314529
                   -1 :               0.00001660106373
                   +0 :              -0.00002639496234
                   +1 :              -0.00003723069558
                   +2 :              -0.00002251533694
              6 vec=   -10.583096      0.362644     -8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00000862061907
                2s
                   +0 :               0.00011898600923
                3s
                   +0 :               0.00003652548108
                2p
                   -1 :               0.00020642665408
                   +0 :               0.00001541924068
                   +1 :              -0.00012170215373
                3p
                   -1 :              -0.00020725815901
                   +0 :               0.00005670144567
                   +1 :              -0.00000567401224
                3d
                   -2 :              -0.00001777098334
                   -1 :               0.00000990395421
                   +0 :              -0.00000935148370
                   +1 :               0.00001278303248
                   +2 :               0.00002812518167
              7 vec=    12.757392     -4.129235     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00001271020549
                2s
                   +0 :               0.00006454262790
                3s
                   +0 :              -0.00006142924569
                2p
                   -1 :              -0.00024872727526
                   +0 :              -0.00009680657308
                   +1 :               0.00001475190570
                3p
                   -1 :               0.00019118976500
                   +0 :               0.00009988130492
                   +1 :              -0.00005787152357
                3d
                   -2 :              -0.00001050381565
                   -1 :               0.00000052660631
                   +0 :              -0.00000948991507
                   +1 :               0.00000364473918
                   +2 :              -0.00000309031541
              8 vec=    -2.802933    -13.112993     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00002060360463
                2s
                   +0 :              -0.00020355937853
                3s
                   +0 :               0.00004181512209
                2p
                   -1 :               0.00025813189959
                   +0 :               0.00024175381728
                   +1 :               0.00005963511361
                3p
                   -1 :              -0.00013676207569
                   +0 :              -0.00015485072342
                   +1 :              -0.00003576684081
                3d
                   -2 :              -0.00000559342826
                   -1 :               0.00000749508418
                   +0 :               0.00001140064821
                   +1 :               0.00000937625561
                   +2 :              -0.00000219442079
              9 vec=    12.757392      4.854523     -8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00003103216679
                2s
                   +0 :              -0.00019809592224
                3s
                   +0 :               0.00009912921070
                2p
                   -1 :               0.00000956544746
                   +0 :               0.00002459861102
                   +1 :              -0.00007007891150
                3p
                   -1 :              -0.00000628325302
                   +0 :               0.00002004182484
                   +1 :               0.00004365890410
                3d
                   -2 :              -0.00000294665365
                   -1 :               0.00001183793488
                   +0 :               0.00000716173901
                   +1 :               0.00000134515184
                   +2 :              -0.00000922121353
             10 vec=   -10.583096     -8.621114     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00004816377268
                2s
                   +0 :               0.00032226715397
                3s
                   +0 :              -0.00016965680461
                2p
                   -1 :              -0.00014493137234
                   +0 :              -0.00002072545572
                   +1 :              -0.00010047734548
                3p
                   -1 :               0.00013208015969
                   +0 :               0.00003412468889
                   +1 :               0.00007533934470
                3d
                   -2 :              -0.00000572919899
                   -1 :               0.00000749334960
                   +0 :              -0.00000053389951
                   +1 :              -0.00000345828661
                   +2 :               0.00001323558673
             11 vec=    -2.802933     13.838281     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00003978594977
                2s
                   +0 :              -0.00017279774096
                3s
                   +0 :               0.00014970874892
                2p
                   -1 :               0.00008080642374
                   +0 :               0.00010561436327
                   +1 :               0.00023858672339
                3p
                   -1 :               0.00000407151206
                   +0 :              -0.00013569983273
                   +1 :              -0.00021764537401
                3d
                   -2 :              -0.00000030955763
                   -1 :              -0.00000665546433
                   +0 :               0.00000576569772
                   +1 :               0.00001284048422
                   +2 :               0.00000190577691
             12 vec=   -10.583096      9.346402     -8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00003004391812
                2s
                   +0 :               0.00022210278530
                3s
                   +0 :              -0.00008073531323
                2p
                   -1 :               0.00023450849323
                   +0 :              -0.00007433250429
                   +1 :              -0.00015895337601
                3p
                   -1 :              -0.00018643022914
                   +0 :               0.00001184423988
                   +1 :               0.00007442010070
                3d
                   -2 :               0.00001116866538
                   -1 :               0.00001195569571
                   +0 :               0.00001344831757
                   +1 :              -0.00000116539962
                   +2 :               0.00000345731975
             13 vec=     4.977229      0.362644     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00000072095555
                2s
                   +0 :              -0.00001019020211
                3s
                   +0 :              -0.00000311640624
                2p
                   -1 :              -0.00009495423353
                   +0 :              -0.00001442557895
                   +1 :              -0.00001074753794
                3p
                   -1 :               0.00003371540925
                   +0 :              -0.00000598088782
                   +1 :               0.00000900781804
                3d
                   -2 :               0.00000269524081
                   -1 :               0.00000013112985
                   +0 :               0.00000072015150
                   +1 :               0.00000069639224
                   +2 :               0.00000540500354
             14 vec=    -2.802933     -4.129235     16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00000879926612
                2s
                   +0 :              -0.00006368956552
                3s
                   +0 :               0.00002551339037
                2p
                   -1 :              -0.00008201478212
                   +0 :              -0.00002891875431
                   +1 :               0.00005177818107
                3p
                   -1 :               0.00004938402077
                   +0 :               0.00002267783856
                   +1 :              -0.00004446096646
                3d
                   -2 :               0.00000376192217
                   -1 :              -0.00000231476044
                   +0 :               0.00000796956089
                   +1 :              -0.00000270686848
                   +2 :               0.00000340490613
             15 vec=    -2.802933      4.854523     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000642531609
                2s
                   +0 :               0.00006226953246
                3s
                   +0 :              -0.00000825095380
                2p
                   -1 :              -0.00005820088018
                   +0 :              -0.00000334320550
                   +1 :              -0.00006116186267
                3p
                   -1 :               0.00002863958048
                   +0 :               0.00005287931580
                   +1 :               0.00002665301537
                3d
                   -2 :              -0.00000300842951
                   -1 :               0.00000080503057
                   +0 :               0.00000861542007
                   +1 :               0.00000021020090
                   +2 :               0.00000530112161
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al(  1)  npairs=  13
              1 vec=     2.383842     -1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00048825481444
                2p
                   -1 :               0.00007424112333
                   +0 :              -0.00022314061819
                   +1 :              -0.00033851489517
                3s
                   +0 :               0.00009546287452
                4s
                   +0 :               0.00001292427058
                3p
                   -1 :              -0.00016443811149
                   +0 :               0.00181610720273
                   +1 :               0.00143012735332
                4p
                   -1 :              -0.00007848337462
                   +0 :              -0.00059805097971
                   +1 :              -0.00018971686272
                3d
                   -2 :              -0.00011013846994
                   -1 :              -0.00021670060151
                   +0 :              -0.00014414020170
                   +1 :               0.00059976401211
                   +2 :              -0.00019799329703
              2 vec=    -5.396321      3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00075781672612
                2p
                   -1 :               0.00013090481390
                   +0 :              -0.00016936370331
                   +1 :              -0.00000793920270
                3s
                   +0 :              -0.00267392142842
                4s
                   +0 :               0.00111373894335
                3p
                   -1 :              -0.00075418520162
                   +0 :               0.00139129751533
                   +1 :               0.00004584903486
                4p
                   -1 :               0.00027113107093
                   +0 :              -0.00049370885142
                   +1 :               0.00001449252210
                3d
                   -2 :              -0.00023642630531
                   -1 :               0.00008259686027
                   +0 :              -0.00028213176247
                   +1 :              -0.00003705537521
                   +2 :               0.00008033459167
              3 vec=    -5.396321     -5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00002468097818
                2p
                   -1 :               0.00023203213506
                   +0 :               0.00005347933615
                   +1 :               0.00002897263425
                3s
                   +0 :              -0.00163127479873
                4s
                   +0 :              -0.00007887656427
                3p
                   -1 :              -0.00006943126463
                   +0 :               0.00024465243022
                   +1 :               0.00116419329749
                4p
                   -1 :               0.00037489302427
                   +0 :               0.00006596931240
                   +1 :               0.00001041524606
                3d
                   -2 :              -0.00032512389821
                   -1 :              -0.00015647564845
                   +0 :               0.00022270533367
                   +1 :              -0.00006873802316
                   +2 :              -0.00015044169398
              4 vec=     2.383842      7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00035672756967
                2p
                   -1 :              -0.00038232450316
                   +0 :               0.00013423840658
                   +1 :              -0.00003003306349
                3s
                   +0 :              -0.00167700427929
                4s
                   +0 :              -0.00016394350734
                3p
                   -1 :              -0.00120773657530
                   +0 :               0.00030235523370
                   +1 :               0.00059131816522
                4p
                   -1 :              -0.00024423383962
                   +0 :              -0.00006177132906
                   +1 :              -0.00012074058810
                3d
                   -2 :               0.00018879393724
                   -1 :               0.00017819154659
                   +0 :               0.00034744876993
                   +1 :              -0.00006684895946
                   +2 :               0.00065609667003
              5 vec=     2.383842    -10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00012723811819
                2p
                   -1 :              -0.00014034916660
                   +0 :              -0.00002281504042
                   +1 :              -0.00000331936064
                3s
                   +0 :              -0.00054437039332
                4s
                   +0 :               0.00019443118765
                3p
                   -1 :               0.00068486964664
                   +0 :               0.00008319989794
                   +1 :              -0.00000683698722
                4p
                   -1 :              -0.00021741082584
                   +0 :              -0.00000512438190
                   +1 :               0.00002716068046
                3d
                   -2 :              -0.00005835281341
                   -1 :              -0.00008951849351
                   +0 :               0.00005148084833
                   +1 :              -0.00005291575071
                   +2 :              -0.00000057067415
              6 vec=    10.164004      3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00001788076689
                2p
                   -1 :               0.00014523091877
                   +0 :              -0.00001811738736
                   +1 :              -0.00012147560729
                3s
                   +0 :               0.00012261227663
                4s
                   +0 :              -0.00006943955918
                3p
                   -1 :              -0.00064599551852
                   +0 :               0.00005113565920
                   +1 :               0.00063444898335
                4p
                   -1 :               0.00009169030530
                   +0 :              -0.00001359649990
                   +1 :              -0.00015423354397
                3d
                   -2 :              -0.00007310600107
                   -1 :               0.00011390243316
                   +0 :               0.00000805948638
                   +1 :              -0.00006444772177
                   +2 :               0.00016357439378
              7 vec=     2.383842     -1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00000962511273
                2p
                   -1 :               0.00007047018381
                   +0 :               0.00001083532645
                   +1 :               0.00010020266650
                3s
                   +0 :               0.00017516574832
                4s
                   +0 :               0.00002912340189
                3p
                   -1 :              -0.00029624940288
                   +0 :               0.00002583922071
                   +1 :              -0.00051437772304
                4p
                   -1 :               0.00010124482576
                   +0 :               0.00003024668369
                   +1 :               0.00010662013040
                3d
                   -2 :               0.00004591935681
                   -1 :               0.00001263290804
                   +0 :              -0.00001954203905
                   +1 :              -0.00012373198642
                   +2 :               0.00003377420967
              8 vec=    10.164004     -5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00017666122198
                2p
                   -1 :               0.00005040124064
                   +0 :               0.00016657390706
                   +1 :              -0.00011967007444
                3s
                   +0 :               0.00048921592543
                4s
                   +0 :              -0.00021393548731
                3p
                   -1 :              -0.00013005380486
                   +0 :              -0.00072537921397
                   +1 :               0.00058247601109
                4p
                   -1 :               0.00000012309023
                   +0 :               0.00022013597156
                   +1 :              -0.00019653000107
                3d
                   -2 :              -0.00008394934555
                   -1 :               0.00013673037843
                   +0 :               0.00004385183116
                   +1 :              -0.00021461476412
                   +2 :               0.00003818461658
              9 vec=    -5.396321      3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00006779325884
                2p
                   -1 :               0.00000370977285
                   +0 :              -0.00000423794205
                   +1 :               0.00001737392472
                3s
                   +0 :               0.00024398738085
                4s
                   +0 :               0.00000715290553
                3p
                   -1 :              -0.00005664871656
                   +0 :              -0.00017558544179
                   +1 :               0.00009759525771
                4p
                   -1 :               0.00001563984348
                   +0 :               0.00010192901683
                   +1 :              -0.00003626212056
                3d
                   -2 :              -0.00003521352594
                   -1 :              -0.00001471147990
                   +0 :              -0.00006545427608
                   +1 :               0.00002913018749
                   +2 :              -0.00002194268220
             10 vec=   -13.176483     -1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00008998614897
                2p
                   -1 :               0.00000459829021
                   +0 :              -0.00000096487245
                   +1 :              -0.00006867676507
                3s
                   +0 :              -0.00037190296961
                4s
                   +0 :               0.00014169727143
                3p
                   -1 :              -0.00006820842202
                   +0 :              -0.00002502240157
                   +1 :               0.00036071596199
                4p
                   -1 :               0.00002591903645
                   +0 :               0.00000853363071
                   +1 :              -0.00011739963077
                3d
                   -2 :              -0.00001761884682
                   -1 :               0.00003225586372
                   +0 :               0.00002503287781
                   +1 :               0.00001890572920
                   +2 :               0.00001089736915
             11 vec=    -5.396321     12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00006643446067
                2p
                   -1 :               0.00003339556250
                   +0 :              -0.00000239549518
                   +1 :              -0.00002616671918
                3s
                   +0 :              -0.00023718007833
                4s
                   +0 :               0.00006832651160
                3p
                   -1 :              -0.00010601514627
                   +0 :               0.00000446907501
                   +1 :               0.00010733137588
                4p
                   -1 :               0.00003254920591
                   +0 :               0.00001397387711
                   +1 :              -0.00004565638976
                3d
                   -2 :              -0.00000991769463
                   -1 :               0.00004006006485
                   +0 :              -0.00000535883151
                   +1 :               0.00000959655069
                   +2 :               0.00002509455142
             12 vec=    -5.396321     -5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00003563823247
                2p
                   -1 :              -0.00000005603308
                   +0 :              -0.00000323712761
                   +1 :               0.00001557289607
                3s
                   +0 :               0.00036578374713
                4s
                   +0 :              -0.00005948723407
                3p
                   -1 :              -0.00022223805419
                   +0 :               0.00015562438592
                   +1 :              -0.00019876833891
                4p
                   -1 :               0.00002538883523
                   +0 :              -0.00001462371746
                   +1 :               0.00001449362371
                3d
                   -2 :              -0.00011812280084
                   -1 :              -0.00001662703277
                   +0 :               0.00001601573862
                   +1 :               0.00002397107173
                   +2 :              -0.00005498031265
             13 vec=     2.383842      7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00006470393544
                2p
                   -1 :              -0.00001960226787
                   +0 :              -0.00001211944276
                   +1 :               0.00002451424232
                3s
                   +0 :               0.00045375816006
                4s
                   +0 :              -0.00013062282916
                3p
                   -1 :               0.00026826468737
                   +0 :               0.00017949054104
                   +1 :               0.00002059362249
                4p
                   -1 :              -0.00004294226808
                   +0 :              -0.00003106497606
                   +1 :               0.00002522544751
                3d
                   -2 :               0.00008117639236
                   -1 :               0.00002127882279
                   +0 :               0.00000265086449
                   +1 :               0.00002474573928
                   +2 :               0.00006078506419
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al(  2)  npairs=  14
              1 vec=     2.383842     -1.376312     -2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.02029953199410
                2p
                   -1 :               0.01062297429878
                   +0 :               0.01876310526221
                   +1 :              -0.02371040568083
                3s
                   +0 :              -0.08105308538507
                4s
                   +0 :              -0.00612650632495
                3p
                   -1 :               0.03302528662756
                   +0 :               0.02989161527114
                   +1 :              -0.04320151039236
                4p
                   -1 :               0.00397088843778
                   +0 :               0.00964437307620
                   +1 :              -0.01313227494553
                3d
                   -2 :               0.03248987510037
                   -1 :              -0.01864939573300
                   +0 :               0.00921691368950
                   +1 :               0.03364908320505
                   +2 :              -0.02069003717115
              2 vec=    -5.396321      3.115567     -2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00216129970094
                2p
                   -1 :               0.00035753903935
                   +0 :              -0.00053040416561
                   +1 :              -0.00180777683165
                3s
                   +0 :              -0.00880922504462
                4s
                   +0 :               0.00535364825141
                3p
                   -1 :              -0.00075988093367
                   +0 :              -0.00000013595357
                   +1 :               0.00733315799531
                4p
                   -1 :               0.00069614027687
                   +0 :              -0.00155724834356
                   +1 :              -0.00322916465883
                3d
                   -2 :               0.00089342805135
                   -1 :               0.00025783871175
                   +0 :              -0.00284795531277
                   +1 :              -0.00029964505253
                   +2 :              -0.00026787683590
              3 vec=    -5.396321     -5.868191     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00108926613202
                2p
                   -1 :              -0.00001564933222
                   +0 :               0.00015967745351
                   +1 :               0.00038228693883
                3s
                   +0 :               0.00430559164110
                4s
                   +0 :              -0.00212387067852
                3p
                   -1 :              -0.00154731364205
                   +0 :              -0.00116536978159
                   +1 :              -0.00214588406127
                4p
                   -1 :               0.00043295192463
                   +0 :               0.00045889949782
                   +1 :               0.00046197980417
                3d
                   -2 :               0.00010807240713
                   -1 :              -0.00031825581591
                   +0 :               0.00014647242681
                   +1 :               0.00047377198414
                   +2 :               0.00080346317322
              4 vec=     2.383842      7.607446     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00067382217295
                2p
                   -1 :              -0.00036539285248
                   +0 :               0.00038795935118
                   +1 :              -0.00011570320396
                3s
                   +0 :               0.00623884219614
                4s
                   +0 :              -0.00283280783733
                3p
                   -1 :               0.00467549931101
                   +0 :              -0.00456939565118
                   +1 :               0.00106294495279
                4p
                   -1 :              -0.00157046809048
                   +0 :               0.00121616350974
                   +1 :              -0.00088557251049
                3d
                   -2 :               0.00038477128857
                   -1 :              -0.00130883793448
                   +0 :               0.00036194266554
                   +1 :              -0.00043758397453
                   +2 :              -0.00067183143131
              5 vec=     2.383842    -10.360070     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00033622596078
                2p
                   -1 :               0.00031698061387
                   +0 :              -0.00036000447951
                   +1 :              -0.00005601567235
                3s
                   +0 :              -0.00067892555561
                4s
                   +0 :               0.00014960294022
                3p
                   -1 :              -0.00010320753438
                   +0 :               0.00158137274830
                   +1 :               0.00044992688992
                4p
                   -1 :               0.00014207605002
                   +0 :              -0.00043743834090
                   +1 :               0.00002590305330
                3d
                   -2 :              -0.00035089906623
                   -1 :              -0.00017074302050
                   +0 :              -0.00001113659048
                   +1 :               0.00027479853483
                   +2 :               0.00011084798746
              6 vec=    10.164004      3.115567     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00005774523267
                2p
                   -1 :              -0.00000410653658
                   +0 :               0.00006465292289
                   +1 :               0.00009026883605
                3s
                   +0 :              -0.00069340008365
                4s
                   +0 :               0.00041743857648
                3p
                   -1 :              -0.00077250688603
                   +0 :              -0.00008227022256
                   +1 :              -0.00108207175646
                4p
                   -1 :               0.00025635977394
                   +0 :              -0.00004949119624
                   +1 :               0.00037458359337
                3d
                   -2 :              -0.00027444425942
                   -1 :              -0.00008834774474
                   +0 :               0.00010647900670
                   +1 :               0.00006350930963
                   +2 :               0.00008126446218
              7 vec=    10.164004     -5.868191     -2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00017498873704
                2p
                   -1 :              -0.00015244959769
                   +0 :              -0.00008699926583
                   +1 :              -0.00014662030793
                3s
                   +0 :              -0.00030136699092
                4s
                   +0 :              -0.00033982193066
                3p
                   -1 :               0.00062055218110
                   +0 :               0.00045814598426
                   +1 :               0.00104066519466
                4p
                   -1 :               0.00004212928729
                   +0 :              -0.00013416774155
                   +1 :              -0.00053135611871
                3d
                   -2 :               0.00026296511377
                   -1 :              -0.00016455868494
                   +0 :              -0.00001148162138
                   +1 :               0.00006258376366
                   +2 :               0.00036777632210
              8 vec=   -13.176483     -1.376312     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00016509966379
                2p
                   -1 :              -0.00001350528576
                   +0 :              -0.00008074140865
                   +1 :               0.00004037604060
                3s
                   +0 :               0.00038487282675
                4s
                   +0 :               0.00002131415297
                3p
                   -1 :               0.00005870312452
                   +0 :               0.00030724962242
                   +1 :              -0.00000138707858
                4p
                   -1 :              -0.00003208637374
                   +0 :              -0.00005708524175
                   +1 :              -0.00010003044677
                3d
                   -2 :               0.00002752834167
                   -1 :               0.00004013057572
                   +0 :               0.00000445399771
                   +1 :              -0.00007027206428
                   +2 :              -0.00001984612208
              9 vec=    -5.396321     12.099325     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00015600275199
                2p
                   -1 :               0.00000812759598
                   +0 :               0.00007412987249
                   +1 :              -0.00001312811556
                3s
                   +0 :               0.00063220163857
                4s
                   +0 :              -0.00014981990645
                3p
                   -1 :               0.00004542729495
                   +0 :              -0.00037733633258
                   +1 :               0.00011683272612
                4p
                   -1 :              -0.00002321058448
                   +0 :               0.00002264736108
                   +1 :              -0.00004882987861
                3d
                   -2 :               0.00027454192426
                   -1 :              -0.00018075626974
                   +0 :               0.00004540211633
                   +1 :              -0.00006250969767
                   +2 :               0.00000022094235
             10 vec=   -13.176483      7.607446     -2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00001390157274
                2p
                   -1 :               0.00001047986256
                   +0 :               0.00002602867352
                   +1 :              -0.00004837554004
                3s
                   +0 :              -0.00001582452838
                4s
                   +0 :               0.00001559071666
                3p
                   -1 :              -0.00004851384132
                   +0 :              -0.00014406052149
                   +1 :               0.00021020026447
                4p
                   -1 :               0.00000359535516
                   +0 :               0.00002106455433
                   +1 :              -0.00006514452073
                3d
                   -2 :               0.00006072097909
                   -1 :              -0.00002664262983
                   +0 :               0.00000988466130
                   +1 :               0.00004466840599
                   +2 :              -0.00002649958880
             11 vec=    -5.396321    -14.851949     -2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00004522538312
                2p
                   -1 :              -0.00004252627587
                   +0 :               0.00004049435660
                   +1 :               0.00005615347859
                3s
                   +0 :              -0.00033318365135
                4s
                   +0 :               0.00009620699861
                3p
                   -1 :               0.00033953478963
                   +0 :              -0.00026524855234
                   +1 :              -0.00036112293176
                4p
                   -1 :              -0.00008408618936
                   +0 :               0.00003198904517
                   +1 :               0.00008119154486
                3d
                   -2 :               0.00003901260867
                   -1 :               0.00006518211696
                   +0 :              -0.00000919943822
                   +1 :              -0.00001419781403
                   +2 :               0.00005638234299
             12 vec=    10.164004     12.099325     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00004046767535
                2p
                   -1 :              -0.00000214168207
                   +0 :              -0.00001564651799
                   +1 :              -0.00003409406079
                3s
                   +0 :              -0.00007293903099
                4s
                   +0 :              -0.00000702468528
                3p
                   -1 :              -0.00006178613456
                   +0 :              -0.00006949860831
                   +1 :               0.00000916966121
                4p
                   -1 :               0.00002814933618
                   +0 :               0.00000248207312
                   +1 :              -0.00001765373347
                3d
                   -2 :              -0.00000309990343
                   -1 :              -0.00003500954993
                   +0 :              -0.00002292785693
                   +1 :              -0.00002103824794
                   +2 :              -0.00003364732098
             13 vec=   -13.176483    -10.360070     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00001125809905
                2p
                   -1 :               0.00001068828855
                   +0 :              -0.00001279560806
                   +1 :              -0.00000347544665
                3s
                   +0 :              -0.00005506803738
                4s
                   +0 :               0.00000517432281
                3p
                   -1 :              -0.00004248526597
                   +0 :               0.00001254021384
                   +1 :               0.00000448005525
                4p
                   -1 :               0.00000373066853
                   +0 :               0.00000896465070
                   +1 :               0.00000937184844
                3d
                   -2 :               0.00001735648809
                   -1 :              -0.00000522394135
                   +0 :              -0.00001587855882
                   +1 :              -0.00000841197692
                   +2 :              -0.00001731665546
             14 vec=     2.383842     16.591204     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00000115546639
                2p
                   -1 :              -0.00001114074291
                   +0 :               0.00000209807949
                   +1 :               0.00002002500250
                3s
                   +0 :               0.00000407041949
                4s
                   +0 :              -0.00000710987651
                3p
                   -1 :               0.00005055168708
                   +0 :              -0.00003160755973
                   +1 :              -0.00011322314835
                4p
                   -1 :              -0.00000724838622
                   +0 :               0.00000208427334
                   +1 :               0.00004039088989
                3d
                   -2 :              -0.00003414969287
                   -1 :               0.00001326421258
                   +0 :               0.00001117928508
                   +1 :               0.00001018899626
                   +2 :               0.00000171409914
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Cr(  3)  npairs=  13
              1 vec=     2.383842     -1.376312      9.763049   |vec|=   10.143671
                3s
                   +0 :              -0.00059363820601
                3p
                   -1 :               0.00027325895532
                   +0 :               0.00001931981382
                   +1 :              -0.00040474558190
                4s
                   +0 :              -0.00007031784476
                5s
                   +0 :               0.00011979524730
                3d
                   -2 :               0.00074045039528
                   -1 :               0.00008448989536
                   +0 :               0.00076086436039
                   +1 :              -0.00019738068622
                   +2 :               0.00003095834572
                4d
                   -2 :               0.00006172376265
                   -1 :               0.00040743507700
                   +0 :              -0.00037237958721
                   +1 :              -0.00044134780309
                   +2 :               0.00001796064639
                4p
                   -1 :              -0.00039820513366
                   +0 :              -0.00053026407991
                   +1 :               0.00047807456919
              2 vec=    -5.396321      3.115567      9.763049   |vec|=   11.582062
                3s
                   +0 :               0.00063647077377
                3p
                   -1 :              -0.00005264291774
                   +0 :              -0.00002206547147
                   +1 :              -0.00002293079228
                4s
                   +0 :              -0.00146147792415
                5s
                   +0 :               0.00017922089390
                3d
                   -2 :              -0.00001446540333
                   -1 :              -0.00004074738001
                   +0 :              -0.00054964918964
                   +1 :               0.00032850254317
                   +2 :              -0.00017524590435
                4d
                   -2 :              -0.00008371386401
                   -1 :               0.00000680498217
                   +0 :              -0.00022717706359
                   +1 :               0.00002014179780
                   +2 :               0.00018234528742
                4p
                   -1 :               0.00002059259381
                   +0 :              -0.00031789724082
                   +1 :               0.00014173791422
              3 vec=    -5.396321     -5.868191      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00086098574270
                3p
                   -1 :               0.00045048372438
                   +0 :              -0.00044765738392
                   +1 :               0.00091949502079
                4s
                   +0 :              -0.00021721265257
                5s
                   +0 :              -0.00006017388885
                3d
                   -2 :              -0.00155247784125
                   -1 :               0.00043673159432
                   +0 :               0.00101188036266
                   +1 :               0.00088606098894
                   +2 :              -0.00103145369799
                4d
                   -2 :              -0.00000975896529
                   -1 :              -0.00002293557579
                   +0 :              -0.00005510912779
                   +1 :              -0.00001736031023
                   +2 :              -0.00017113607866
                4p
                   -1 :               0.00005702065020
                   +0 :               0.00018011950184
                   +1 :               0.00042270849699
              4 vec=     2.383842      7.607446      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00031981311862
                3p
                   -1 :              -0.00052453199649
                   +0 :              -0.00015896812013
                   +1 :              -0.00016061845779
                4s
                   +0 :              -0.00042471832843
                5s
                   +0 :              -0.00010532479504
                3d
                   -2 :              -0.00114163291251
                   -1 :              -0.00088333851240
                   +0 :               0.00063390996340
                   +1 :              -0.00017883937759
                   +2 :               0.00112775650279
                4d
                   -2 :               0.00031885949244
                   -1 :               0.00008545097130
                   +0 :               0.00002028883122
                   +1 :              -0.00005103946387
                   +2 :               0.00001217652429
                4p
                   -1 :              -0.00031818820606
                   +0 :              -0.00008644134222
                   +1 :               0.00008218386256
              5 vec=     2.383842    -10.360070      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00000261224142
                3p
                   -1 :               0.00001283038544
                   +0 :               0.00003362384644
                   +1 :              -0.00028936493291
                4s
                   +0 :               0.00004406913350
                5s
                   +0 :              -0.00001608852754
                3d
                   -2 :               0.00029742860732
                   -1 :               0.00003755707908
                   +0 :               0.00007451334545
                   +1 :              -0.00026067083259
                   +2 :              -0.00012354625095
                4d
                   -2 :              -0.00022070143028
                   -1 :               0.00000894349428
                   +0 :               0.00001495314926
                   +1 :               0.00018089617566
                   +2 :              -0.00003283596777
                4p
                   -1 :              -0.00003954477348
                   +0 :              -0.00003122329141
                   +1 :               0.00054457014921
              6 vec=    10.164004      3.115567      9.763049   |vec|=   14.433671
                3s
                   +0 :               0.00018928686932
                3p
                   -1 :               0.00009963866091
                   +0 :               0.00005044273758
                   +1 :               0.00012071354455
                4s
                   +0 :              -0.00045191791739
                5s
                   +0 :               0.00006997439187
                3d
                   -2 :               0.00016147722396
                   -1 :               0.00015097407639
                   +0 :              -0.00001753623757
                   +1 :               0.00013575215234
                   +2 :               0.00018252784967
                4d
                   -2 :              -0.00002540651790
                   -1 :              -0.00012114763711
                   +0 :               0.00005239370364
                   +1 :              -0.00011448463957
                   +2 :               0.00000214040461
                4p
                   -1 :              -0.00016458639381
                   +0 :              -0.00009034677212
                   +1 :              -0.00021036740603
              7 vec=     2.383842     -1.376312    -14.784494   |vec|=   15.038557
                3s
                   +0 :               0.00013230433478
                3p
                   -1 :              -0.00010775690122
                   +0 :              -0.00005143374021
                   +1 :              -0.00000482378487
                4s
                   +0 :              -0.00007733231788
                5s
                   +0 :              -0.00001127726257
                3d
                   -2 :              -0.00007324458840
                   -1 :               0.00009080987701
                   +0 :              -0.00013562343779
                   +1 :               0.00001157357788
                   +2 :               0.00001837682912
                4d
                   -2 :              -0.00000292537454
                   -1 :              -0.00011537788365
                   +0 :               0.00006153314503
                   +1 :               0.00007558631527
                   +2 :              -0.00000032741049
                4p
                   -1 :               0.00024137120513
                   +0 :               0.00004327450766
                   +1 :              -0.00004635834141
              8 vec=    10.164004     -5.868191      9.763049   |vec|=   15.266295
                3s
                   +0 :              -0.00036872559243
                3p
                   -1 :               0.00008907497807
                   +0 :              -0.00021345950131
                   +1 :              -0.00020695485505
                4s
                   +0 :               0.00076463652205
                5s
                   +0 :              -0.00011383678384
                3d
                   -2 :               0.00037854159481
                   -1 :               0.00036202350655
                   +0 :              -0.00009231963991
                   +1 :              -0.00063292240233
                   +2 :              -0.00016655744152
                4d
                   -2 :              -0.00015670729400
                   -1 :              -0.00019807718380
                   +0 :               0.00011136159063
                   +1 :               0.00039466853551
                   +2 :               0.00008206723638
                4p
                   -1 :              -0.00016460156019
                   +0 :               0.00037660998441
                   +1 :               0.00031671636684
              9 vec=    -5.396321      3.115567    -14.784494   |vec|=   16.043949
                3s
                   +0 :              -0.00008761356025
                3p
                   -1 :              -0.00006309708471
                   +0 :               0.00006700729614
                   +1 :               0.00003065052359
                4s
                   +0 :               0.00020630597773
                5s
                   +0 :              -0.00001049121754
                3d
                   -2 :              -0.00019084673349
                   -1 :               0.00001009384581
                   +0 :              -0.00000791515686
                   +1 :               0.00008851511707
                   +2 :              -0.00000698212454
                4d
                   -2 :               0.00001302841618
                   -1 :              -0.00002958568437
                   +0 :               0.00003015954182
                   +1 :              -0.00000403395802
                   +2 :               0.00003910669601
                4p
                   -1 :               0.00004951403030
                   +0 :              -0.00008284585072
                   +1 :               0.00002095450263
             10 vec=   -13.176483     -1.376312      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00009598624995
                3p
                   -1 :              -0.00001674929383
                   +0 :               0.00002199787799
                   +1 :              -0.00007989559842
                4s
                   +0 :              -0.00018161896523
                5s
                   +0 :               0.00001541276238
                3d
                   -2 :               0.00000001838115
                   -1 :               0.00008680818573
                   +0 :              -0.00007934828519
                   +1 :               0.00004399814959
                   +2 :               0.00004072955959
                4d
                   -2 :              -0.00003645003522
                   -1 :               0.00002159607323
                   +0 :               0.00002121359152
                   +1 :               0.00005705918431
                   +2 :              -0.00003911479060
                4p
                   -1 :               0.00001665589718
                   +0 :              -0.00004256935043
                   +1 :               0.00010262502387
             11 vec=    -5.396321     12.099325      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00015033490158
                3p
                   -1 :               0.00007862428996
                   +0 :               0.00001874838919
                   +1 :              -0.00003009464549
                4s
                   +0 :              -0.00034606385769
                5s
                   +0 :               0.00005260055024
                3d
                   -2 :              -0.00001295029235
                   -1 :              -0.00000938382976
                   +0 :              -0.00004091852736
                   +1 :              -0.00006297903758
                   +2 :              -0.00002479921925
                4d
                   -2 :               0.00000510995023
                   -1 :              -0.00000065278918
                   +0 :               0.00004330798753
                   +1 :               0.00003467308237
                   +2 :               0.00002989953127
                4p
                   -1 :              -0.00013001107163
                   +0 :              -0.00002549666675
                   +1 :               0.00008649557843
             12 vec=    -5.396321     -5.868191    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00008498480048
                3p
                   -1 :              -0.00006296381231
                   +0 :               0.00003100489210
                   +1 :               0.00003214189696
                4s
                   +0 :               0.00030208438906
                5s
                   +0 :              -0.00003142917391
                3d
                   -2 :              -0.00006800348429
                   -1 :               0.00029922933361
                   +0 :              -0.00013804939459
                   +1 :              -0.00014140554063
                   +2 :              -0.00027130470232
                4d
                   -2 :               0.00003427244903
                   -1 :               0.00003497832127
                   +0 :              -0.00001428902352
                   +1 :               0.00003464203499
                   +2 :              -0.00008432864281
                4p
                   -1 :               0.00002331546249
                   +0 :              -0.00004682507822
                   +1 :              -0.00003681858016
             13 vec=     2.383842      7.607446    -14.784494   |vec|=   16.796940
                3s
                   +0 :               0.00002563938879
                3p
                   -1 :               0.00000582638769
                   +0 :              -0.00000438130985
                   +1 :               0.00002461902066
                4s
                   +0 :               0.00010252687149
                5s
                   +0 :              -0.00000999924867
                3d
                   -2 :               0.00013078294975
                   -1 :              -0.00009226741187
                   +0 :              -0.00022632043881
                   +1 :              -0.00018688966110
                   +2 :               0.00026253723881
                4d
                   -2 :              -0.00001798024908
                   -1 :               0.00000611242570
                   +0 :               0.00000101581433
                   +1 :              -0.00000208066277
                   +2 :               0.00004288671404
                4p
                   -1 :              -0.00000841684738
                   +0 :               0.00003921083735
                   +1 :              -0.00000548920239
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al(  4)  npairs=  14
              1 vec=     2.383842     -1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.02037486570876
                2p
                   -1 :              -0.01526713311387
                   +0 :               0.01880185859988
                   +1 :               0.02109027008402
                3s
                   +0 :               0.08027703896607
                4s
                   +0 :               0.00616140335152
                3p
                   -1 :              -0.02051457857617
                   +0 :               0.02977846863550
                   +1 :               0.04973753983765
                4p
                   -1 :              -0.00944412899675
                   +0 :               0.00966841649823
                   +1 :               0.01002584954336
                3d
                   -2 :              -0.03409693519175
                   -1 :              -0.01980295491414
                   +0 :              -0.00902623367669
                   +1 :               0.03293915406734
                   +2 :               0.01773374811176
              2 vec=    -5.396321      3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00220212192399
                2p
                   -1 :              -0.00139011079099
                   +0 :              -0.00053767959302
                   +1 :               0.00122692010970
                3s
                   +0 :               0.00883355292824
                4s
                   +0 :              -0.00538269553578
                3p
                   -1 :               0.00593378470634
                   +0 :               0.00011236043324
                   +1 :              -0.00433314840087
                4p
                   -1 :              -0.00243746275137
                   +0 :              -0.00158541615615
                   +1 :               0.00223479156601
                3d
                   -2 :              -0.00066671578280
                   -1 :               0.00014874166958
                   +0 :               0.00281246263778
                   +1 :              -0.00038107331087
                   +2 :               0.00063538616728
              3 vec=    -5.396321     -5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00065233161789
                2p
                   -1 :              -0.00027327421505
                   +0 :               0.00040592737734
                   +1 :              -0.00026737825224
                3s
                   +0 :              -0.00618249053956
                4s
                   +0 :               0.00281420388645
                3p
                   -1 :               0.00321105848448
                   +0 :              -0.00470489496536
                   +1 :               0.00358329500853
                4p
                   -1 :              -0.00154572953273
                   +0 :               0.00124268699689
                   +1 :              -0.00092972403828
                3d
                   -2 :              -0.00077033092898
                   -1 :               0.00105125718359
                   +0 :              -0.00034480358910
                   +1 :               0.00092919320566
                   +2 :              -0.00002063355026
              4 vec=     2.383842      7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00108091740619
                2p
                   -1 :               0.00032258534052
                   +0 :               0.00017391886688
                   +1 :              -0.00021233793433
                3s
                   +0 :              -0.00430116808381
                4s
                   +0 :               0.00211908468130
                3p
                   -1 :              -0.00265565322073
                   +0 :              -0.00127392069482
                   +1 :              -0.00020227800583
                4p
                   -1 :               0.00062196636788
                   +0 :               0.00048011113145
                   +1 :               0.00012984823128
                3d
                   -2 :               0.00065591719973
                   -1 :              -0.00027315477145
                   +0 :              -0.00012785878695
                   +1 :               0.00048948803665
                   +2 :               0.00049686933073
              5 vec=     2.383842    -10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00005212566886
                2p
                   -1 :               0.00007600250701
                   +0 :               0.00007002653816
                   +1 :              -0.00004430256431
                3s
                   +0 :               0.00068215595726
                4s
                   +0 :              -0.00041582701354
                3p
                   -1 :              -0.00131333268298
                   +0 :              -0.00010506911704
                   +1 :              -0.00013614962548
                4p
                   -1 :               0.00045244267000
                   +0 :              -0.00004295395500
                   +1 :               0.00003993753355
                3d
                   -2 :               0.00020731336563
                   -1 :              -0.00000735560696
                   +0 :              -0.00010360722635
                   +1 :               0.00010623499330
                   +2 :              -0.00020408848259
              6 vec=    10.164004      3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00031922821948
                2p
                   -1 :               0.00010577995073
                   +0 :              -0.00035755185537
                   +1 :               0.00029006275283
                3s
                   +0 :               0.00072176980824
                4s
                   +0 :              -0.00016649251258
                3p
                   -1 :               0.00034422177076
                   +0 :               0.00158320824209
                   +1 :              -0.00025758482593
                4p
                   -1 :               0.00009049158204
                   +0 :              -0.00043607896413
                   +1 :               0.00010341144948
                3d
                   -2 :               0.00027438485566
                   -1 :              -0.00014778464409
                   +0 :               0.00000700781936
                   +1 :               0.00027612922243
                   +2 :              -0.00023132744111
              7 vec=    10.164004     -5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00015701756602
                2p
                   -1 :              -0.00020711339682
                   +0 :              -0.00008511190705
                   +1 :              -0.00006361205454
                3s
                   +0 :               0.00020701093918
                4s
                   +0 :               0.00036893441119
                3p
                   -1 :               0.00123301607449
                   +0 :               0.00045621882848
                   +1 :               0.00003522513579
                4p
                   -1 :              -0.00044328650316
                   +0 :              -0.00014144433284
                   +1 :               0.00029580447037
                3d
                   -2 :               0.00018716046194
                   -1 :               0.00002952873337
                   +0 :               0.00000496370342
                   +1 :               0.00016801432181
                   +2 :               0.00041500486700
              8 vec=   -13.176483     -1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00015411670618
                2p
                   -1 :              -0.00001024038956
                   +0 :               0.00007581209435
                   +1 :               0.00000986403936
                3s
                   +0 :              -0.00059638500956
                4s
                   +0 :               0.00015141048559
                3p
                   -1 :               0.00014039509979
                   +0 :              -0.00038319154295
                   +1 :              -0.00001785568957
                4p
                   -1 :              -0.00005696967256
                   +0 :               0.00002587724055
                   +1 :              -0.00000184697674
                3d
                   -2 :              -0.00014421119193
                   -1 :               0.00014914766150
                   +0 :              -0.00005485765269
                   +1 :               0.00012239600760
                   +2 :               0.00024050211756
              9 vec=    -5.396321     12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00015932264451
                2p
                   -1 :               0.00002488481120
                   +0 :              -0.00008153580504
                   +1 :              -0.00002424582969
                3s
                   +0 :              -0.00034991093816
                4s
                   +0 :              -0.00002011345954
                3p
                   -1 :               0.00004657554608
                   +0 :               0.00031499347632
                   +1 :               0.00001315016424
                4p
                   -1 :              -0.00009985341485
                   +0 :              -0.00005908674149
                   +1 :               0.00002637328524
                3d
                   -2 :              -0.00004286526223
                   -1 :               0.00003713987836
                   +0 :              -0.00001419596219
                   +1 :              -0.00007295968174
                   +2 :               0.00000882787264
             10 vec=   -13.176483      7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00003325213988
                2p
                   -1 :              -0.00004201433561
                   +0 :               0.00003129745069
                   +1 :               0.00003991617409
                3s
                   +0 :               0.00010265137224
                4s
                   +0 :              -0.00003119252794
                3p
                   -1 :               0.00019317780414
                   +0 :              -0.00016930502138
                   +1 :              -0.00018896862337
                4p
                   -1 :              -0.00006063227741
                   +0 :               0.00002469594598
                   +1 :               0.00004000627332
                3d
                   -2 :              -0.00006462352012
                   -1 :              -0.00003357600655
                   +0 :              -0.00001262036973
                   +1 :               0.00005556591368
                   +2 :               0.00004334879366
             11 vec=    -5.396321    -14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00003958026287
                2p
                   -1 :              -0.00003267189101
                   +0 :              -0.00001353540191
                   +1 :               0.00001546970807
                3s
                   +0 :               0.00009023482801
                4s
                   +0 :               0.00000147809589
                3p
                   -1 :              -0.00000850113032
                   +0 :              -0.00007287027973
                   +1 :              -0.00006910790008
                4p
                   -1 :              -0.00000230872122
                   +0 :               0.00000754358550
                   +1 :               0.00003352304652
                3d
                   -2 :              -0.00002058899383
                   -1 :               0.00003162027223
                   +0 :               0.00002354799509
                   +1 :               0.00002393725743
                   +2 :              -0.00001626685307
             12 vec=    10.164004     12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00004420443171
                2p
                   -1 :               0.00002824361400
                   +0 :               0.00004218850148
                   +1 :              -0.00006377868245
                3s
                   +0 :               0.00034269273050
                4s
                   +0 :              -0.00009949345293
                3p
                   -1 :              -0.00013752319538
                   +0 :              -0.00027040459061
                   +1 :               0.00046368987231
                4p
                   -1 :               0.00002940204879
                   +0 :               0.00003785470394
                   +1 :              -0.00011430383689
                3d
                   -2 :               0.00003062199146
                   -1 :              -0.00002101754089
                   +0 :               0.00001072885641
                   +1 :              -0.00006406364190
                   +2 :               0.00005653719724
             13 vec=   -13.176483    -10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00000346637833
                2p
                   -1 :               0.00001077224754
                   +0 :               0.00000283643515
                   +1 :              -0.00002092048879
                3s
                   +0 :              -0.00000217596175
                4s
                   +0 :               0.00000941397188
                3p
                   -1 :              -0.00007007599731
                   +0 :              -0.00003544837392
                   +1 :               0.00010354507039
                4p
                   -1 :               0.00003075252444
                   +0 :               0.00000360505039
                   +1 :              -0.00002587466019
                3d
                   -2 :               0.00001870968081
                   -1 :              -0.00001570935852
                   +0 :              -0.00001483425712
                   +1 :              -0.00000487444841
                   +2 :              -0.00002868090114
             14 vec=     2.383842     16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00000929697705
                2p
                   -1 :               0.00000394220963
                   +0 :              -0.00001233723895
                   +1 :               0.00000833550931
                3s
                   +0 :               0.00006086482797
                4s
                   +0 :              -0.00000332436390
                3p
                   -1 :              -0.00002436861916
                   +0 :               0.00001380118899
                   +1 :              -0.00002801196309
                4p
                   -1 :               0.00001302523464
                   +0 :               0.00000890343258
                   +1 :              -0.00000325134289
                3d
                   -2 :              -0.00002023950032
                   -1 :               0.00001016057797
                   +0 :               0.00001297475274
                   +1 :              -0.00000365257696
                   +2 :               0.00000673557324
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al(  5)  npairs=  14
              1 vec=    -0.209546      3.115567     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02247134027603
                2p
                   -1 :              -0.02220459118311
                   +0 :               0.00425713147392
                   +1 :               0.00035729317085
                3s
                   +0 :              -0.03289251390016
                4s
                   +0 :              -0.00937578260949
                3p
                   -1 :              -0.05812453090421
                   +0 :              -0.01444988469555
                   +1 :               0.00735682698950
                4p
                   -1 :              -0.00949392905718
                   +0 :               0.00308419354571
                   +1 :              -0.00178468872889
                3d
                   -2 :               0.00377622152612
                   -1 :               0.00130929442753
                   +0 :               0.03081230138315
                   +1 :               0.00080167108683
                   +2 :               0.03738973023658
              2 vec=    -0.209546     -5.868191     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00177312862029
                2p
                   -1 :              -0.00145853066494
                   +0 :               0.00035248922269
                   +1 :              -0.00008415992909
                3s
                   +0 :              -0.00378358688530
                4s
                   +0 :               0.00359008208605
                3p
                   -1 :               0.00582325760380
                   +0 :               0.00144558200231
                   +1 :              -0.00254552640352
                4p
                   -1 :              -0.00204451294907
                   +0 :               0.00049065883260
                   +1 :               0.00050698746845
                3d
                   -2 :               0.00090134753387
                   -1 :              -0.00168651666013
                   +0 :              -0.00014635837719
                   +1 :              -0.00007516406060
                   +2 :               0.00254827778264
              3 vec=     7.570617     -1.376312     -1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00018853754962
                2p
                   -1 :               0.00077418263746
                   +0 :              -0.00020729604462
                   +1 :               0.00008073488399
                3s
                   +0 :               0.00577638246420
                4s
                   +0 :              -0.00090949320187
                3p
                   -1 :              -0.00634546378526
                   +0 :               0.00144996442344
                   +1 :               0.00519468613200
                4p
                   -1 :               0.00113714018928
                   +0 :              -0.00105093201717
                   +1 :              -0.00029785632484
                3d
                   -2 :              -0.00214813698802
                   -1 :               0.00064355266774
                   +0 :              -0.00116439141603
                   +1 :              -0.00049916720949
                   +2 :               0.00018814029452
              4 vec=    -7.989708     -1.376312     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00050019101078
                2p
                   -1 :               0.00039817815717
                   +0 :               0.00021533450532
                   +1 :              -0.00090345799610
                3s
                   +0 :              -0.00214609087988
                4s
                   +0 :               0.00081139666988
                3p
                   -1 :              -0.00236165746432
                   +0 :              -0.00096112827755
                   +1 :               0.00382673996967
                4p
                   -1 :               0.00075534378968
                   +0 :               0.00024628255637
                   +1 :              -0.00121984014665
                3d
                   -2 :               0.00040028032396
                   -1 :               0.00076216983740
                   +0 :              -0.00002618021000
                   +1 :              -0.00018014980394
                   +2 :              -0.00073130435891
              5 vec=     7.570617      7.607446     -1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00011532759720
                2p
                   -1 :              -0.00002902338258
                   +0 :               0.00009434472777
                   +1 :               0.00003590935863
                3s
                   +0 :              -0.00051370263971
                4s
                   +0 :               0.00008311988059
                3p
                   -1 :              -0.00027918922637
                   +0 :              -0.00129876454408
                   +1 :              -0.00108564510579
                4p
                   -1 :               0.00015194156253
                   +0 :               0.00017201486745
                   +1 :               0.00030146956344
                3d
                   -2 :              -0.00009123325913
                   -1 :              -0.00028686059669
                   +0 :              -0.00017918833685
                   +1 :              -0.00015398645227
                   +2 :              -0.00012987857156
              6 vec=    -7.989708      7.607446     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00000089758314
                2p
                   -1 :              -0.00002485432782
                   +0 :               0.00000218932097
                   +1 :              -0.00004937282379
                3s
                   +0 :              -0.00112228864116
                4s
                   +0 :               0.00035051531570
                3p
                   -1 :              -0.00031035680841
                   +0 :              -0.00062040237167
                   +1 :               0.00082739417992
                4p
                   -1 :               0.00013995507076
                   +0 :               0.00008350784149
                   +1 :              -0.00022315968328
                3d
                   -2 :              -0.00001543768677
                   -1 :              -0.00001224417090
                   +0 :              -0.00026263502327
                   +1 :               0.00027942694826
                   +2 :              -0.00026297962364
              7 vec=    -0.209546     12.099325     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00015661372638
                2p
                   -1 :               0.00008083008546
                   +0 :              -0.00022552367085
                   +1 :              -0.00008833145353
                3s
                   +0 :              -0.00037240228562
                4s
                   +0 :              -0.00005020454075
                3p
                   -1 :              -0.00035380198982
                   +0 :               0.00105120351483
                   +1 :               0.00046178346844
                4p
                   -1 :              -0.00001980916739
                   +0 :              -0.00025080459454
                   +1 :              -0.00006749057193
                3d
                   -2 :               0.00009155695622
                   -1 :               0.00011272224378
                   +0 :              -0.00006672474889
                   +1 :              -0.00006332517341
                   +2 :               0.00006681537275
              8 vec=     7.570617    -10.360070     -1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00005672066565
                2p
                   -1 :              -0.00006068366890
                   +0 :               0.00021151145978
                   +1 :              -0.00019195434503
                3s
                   +0 :              -0.00044745871360
                4s
                   +0 :               0.00026933713259
                3p
                   -1 :               0.00038148349537
                   +0 :              -0.00091443101347
                   +1 :               0.00086334609596
                4p
                   -1 :              -0.00016614530551
                   +0 :               0.00022275483156
                   +1 :              -0.00017755910613
                3d
                   -2 :              -0.00029261607972
                   -1 :               0.00018697180176
                   +0 :              -0.00010563207176
                   +1 :              -0.00008758136413
                   +2 :               0.00008519708699
              9 vec=    -7.989708    -10.360070     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00022351797925
                2p
                   -1 :               0.00005049938061
                   +0 :               0.00001093146097
                   +1 :               0.00015041498433
                3s
                   +0 :               0.00053298417002
                4s
                   +0 :              -0.00025475066813
                3p
                   -1 :              -0.00020013675283
                   +0 :               0.00026755344511
                   +1 :              -0.00059584535024
                4p
                   -1 :               0.00002577692901
                   +0 :              -0.00004750917493
                   +1 :               0.00017597642476
                3d
                   -2 :               0.00006145625008
                   -1 :               0.00003848783859
                   +0 :              -0.00009264495227
                   +1 :              -0.00000175510391
                   +2 :               0.00005174527438
             10 vec=    -0.209546    -14.851949     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00004621340735
                2p
                   -1 :               0.00000243301253
                   +0 :               0.00001867011002
                   +1 :               0.00001115694949
                3s
                   +0 :               0.00018583526451
                4s
                   +0 :              -0.00007869288189
                3p
                   -1 :              -0.00012027678874
                   +0 :               0.00002169377257
                   +1 :              -0.00010090501776
                4p
                   -1 :               0.00005141511120
                   +0 :              -0.00001299947899
                   +1 :               0.00004874812768
                3d
                   -2 :               0.00005149467543
                   -1 :              -0.00005705275795
                   +0 :              -0.00006045019144
                   +1 :               0.00000132982505
                   +2 :              -0.00000324606667
             11 vec=    15.350780      3.115567     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00001106484618
                2p
                   -1 :              -0.00003449120513
                   +0 :              -0.00001001743043
                   +1 :               0.00000217071031
                3s
                   +0 :              -0.00005204461122
                4s
                   +0 :               0.00003206168843
                3p
                   -1 :               0.00018751057558
                   +0 :              -0.00005922931761
                   +1 :              -0.00002102404398
                4p
                   -1 :              -0.00007076365334
                   +0 :               0.00004775414094
                   +1 :               0.00002036607549
                3d
                   -2 :               0.00001714207834
                   -1 :               0.00001069512630
                   +0 :              -0.00000240284271
                   +1 :              -0.00001294781751
                   +2 :               0.00005487939723
             12 vec=   -15.769871      3.115567     -1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00001106343010
                2p
                   -1 :               0.00000629934159
                   +0 :               0.00001196402155
                   +1 :               0.00000290380763
                3s
                   +0 :              -0.00007762328263
                4s
                   +0 :               0.00002282090342
                3p
                   -1 :              -0.00008051922290
                   +0 :              -0.00009015650192
                   +1 :               0.00000286776322
                4p
                   -1 :               0.00001730644291
                   +0 :               0.00000446897234
                   +1 :              -0.00000196149559
                3d
                   -2 :               0.00001919176926
                   -1 :              -0.00000425971080
                   +0 :              -0.00003580033509
                   +1 :               0.00001692826643
                   +2 :              -0.00000807670880
             13 vec=    15.350780     -5.868191     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00002210030162
                2p
                   -1 :               0.00002030971241
                   +0 :               0.00000349030366
                   +1 :              -0.00001822727989
                3s
                   +0 :               0.00017813698628
                4s
                   +0 :              -0.00011821467378
                3p
                   -1 :              -0.00010528171294
                   +0 :              -0.00000896382010
                   +1 :               0.00020092894087
                4p
                   -1 :               0.00002209783692
                   +0 :              -0.00000095990549
                   +1 :              -0.00009453346605
                3d
                   -2 :              -0.00003228778680
                   -1 :              -0.00001231597279
                   +0 :               0.00002006360506
                   +1 :              -0.00001020820925
                   +2 :               0.00001796910861
             14 vec=   -15.769871     -5.868191     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00002331531013
                2p
                   -1 :              -0.00000439385427
                   +0 :               0.00001390671700
                   +1 :               0.00002539156774
                3s
                   +0 :              -0.00012192008271
                4s
                   +0 :               0.00005289978342
                3p
                   -1 :               0.00004691006840
                   +0 :              -0.00006080793562
                   +1 :              -0.00010690532844
                4p
                   -1 :              -0.00002347923100
                   +0 :               0.00000909934176
                   +1 :               0.00001888305177
                3d
                   -2 :               0.00002554229784
                   -1 :              -0.00002153799036
                   +0 :              -0.00001971952823
                   +1 :               0.00001684688429
                   +2 :               0.00002839083729
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al(  6)  npairs=  14
              1 vec=    -0.209546      3.115567      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00462846692519
                2p
                   -1 :              -0.00217324020500
                   +0 :              -0.00280851817766
                   +1 :               0.00044500757256
                3s
                   +0 :               0.01125636646880
                4s
                   +0 :              -0.00744219086132
                3p
                   -1 :               0.00731584376761
                   +0 :               0.01197041632596
                   +1 :              -0.00079631358222
                4p
                   -1 :              -0.00386435975285
                   +0 :              -0.00551072691283
                   +1 :               0.00028661452113
                3d
                   -2 :               0.00049824020893
                   -1 :               0.00102504606522
                   +0 :               0.00208195988666
                   +1 :               0.00002715231188
                   +2 :               0.00131203727544
              2 vec=    -0.209546     -5.868191      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00136707024613
                2p
                   -1 :              -0.00124603211281
                   +0 :               0.00051548892153
                   +1 :              -0.00020663241217
                3s
                   +0 :               0.00900611772545
                4s
                   +0 :               0.00158464130591
                3p
                   -1 :              -0.00629879712155
                   +0 :               0.00050108878106
                   +1 :               0.00448024921185
                4p
                   -1 :              -0.00155951463277
                   +0 :               0.00040670724800
                   +1 :              -0.00113607218832
                3d
                   -2 :              -0.00145434150547
                   -1 :              -0.00064841894136
                   +0 :              -0.00210752996479
                   +1 :               0.00047596518030
                   +2 :              -0.00312335305890
              3 vec=     7.570617     -1.376312      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00053450256234
                2p
                   -1 :               0.00098236337733
                   +0 :               0.00009750484316
                   +1 :              -0.00035064141719
                3s
                   +0 :              -0.00112192615617
                4s
                   +0 :               0.00028981141925
                3p
                   -1 :              -0.00463206998748
                   +0 :              -0.00049693340305
                   +1 :               0.00133508009927
                4p
                   -1 :               0.00098816087871
                   +0 :               0.00022278663722
                   +1 :              -0.00032731501943
                3d
                   -2 :              -0.00036654312386
                   -1 :              -0.00070922894528
                   +0 :               0.00016007086047
                   +1 :               0.00067079078395
                   +2 :               0.00093863894903
              4 vec=    -7.989708     -1.376312      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00002605474779
                2p
                   -1 :              -0.00002870328287
                   +0 :              -0.00035955485320
                   +1 :              -0.00031875326680
                3s
                   +0 :              -0.00010337152412
                4s
                   +0 :               0.00019643914696
                3p
                   -1 :              -0.00003781661292
                   +0 :               0.00231386431541
                   +1 :               0.00152150496297
                4p
                   -1 :              -0.00018934947952
                   +0 :              -0.00062621869893
                   +1 :              -0.00071421686754
                3d
                   -2 :               0.00042906343149
                   -1 :              -0.00007696804405
                   +0 :               0.00021040624292
                   +1 :              -0.00038695238791
                   +2 :              -0.00004479078923
              5 vec=     7.570617      7.607446      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00034488073605
                2p
                   -1 :               0.00005619910955
                   +0 :               0.00017106059749
                   +1 :               0.00025019752317
                3s
                   +0 :              -0.00069447191512
                4s
                   +0 :               0.00037396869926
                3p
                   -1 :              -0.00050092034447
                   +0 :               0.00001247176694
                   +1 :              -0.00096861281389
                4p
                   -1 :               0.00010029525616
                   +0 :               0.00012787082423
                   +1 :               0.00032007896154
                3d
                   -2 :              -0.00013139069068
                   -1 :              -0.00002306740908
                   +0 :               0.00024316237103
                   +1 :               0.00006068355404
                   +2 :              -0.00000474249084
              6 vec=    -7.989708      7.607446      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00051288332275
                2p
                   -1 :               0.00015898567638
                   +0 :               0.00018092524928
                   +1 :              -0.00029046017032
                3s
                   +0 :              -0.00138595836347
                4s
                   +0 :               0.00031687611150
                3p
                   -1 :              -0.00081518703031
                   +0 :              -0.00066910047072
                   +1 :               0.00132458651428
                4p
                   -1 :               0.00003526010593
                   +0 :               0.00011984576242
                   +1 :              -0.00024855386030
                3d
                   -2 :               0.00042481023408
                   -1 :              -0.00028611398613
                   +0 :               0.00011264567453
                   +1 :               0.00030090645454
                   +2 :              -0.00009206622268
              7 vec=    -0.209546     12.099325      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00013103803729
                2p
                   -1 :              -0.00009323278257
                   +0 :              -0.00004182671245
                   +1 :              -0.00007318634086
                3s
                   +0 :               0.00089875883970
                4s
                   +0 :              -0.00021157059463
                3p
                   -1 :               0.00069119912284
                   +0 :               0.00001239848781
                   +1 :               0.00036976096291
                4p
                   -1 :              -0.00016578302148
                   +0 :               0.00006013193352
                   +1 :              -0.00006540385918
                3d
                   -2 :               0.00018584644432
                   -1 :               0.00004655126194
                   +0 :               0.00002071080631
                   +1 :               0.00004800263242
                   +2 :              -0.00006348070619
              8 vec=     7.570617    -10.360070      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00041527439865
                2p
                   -1 :              -0.00029941799795
                   +0 :               0.00005026998989
                   +1 :              -0.00001556132448
                3s
                   +0 :              -0.00100196714596
                4s
                   +0 :               0.00020058696535
                3p
                   -1 :               0.00112210402925
                   +0 :              -0.00024054472810
                   +1 :               0.00024196158621
                4p
                   -1 :              -0.00014003311003
                   +0 :               0.00006149453978
                   +1 :              -0.00012474897419
                3d
                   -2 :               0.00004784860539
                   -1 :               0.00018965492933
                   +0 :               0.00009236585265
                   +1 :               0.00001848073223
                   +2 :               0.00025359954991
              9 vec=    -7.989708    -10.360070      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00003637754239
                2p
                   -1 :              -0.00000083570095
                   +0 :               0.00003499967993
                   +1 :               0.00007843589053
                3s
                   +0 :               0.00021215980267
                4s
                   +0 :               0.00007316713152
                3p
                   -1 :               0.00009004710535
                   +0 :              -0.00038797230724
                   +1 :              -0.00043912448128
                4p
                   -1 :              -0.00004752300548
                   +0 :               0.00008575882768
                   +1 :               0.00002574732197
                3d
                   -2 :               0.00011779516095
                   -1 :               0.00001889827999
                   +0 :               0.00005177774492
                   +1 :              -0.00002393446928
                   +2 :               0.00001516695180
             10 vec=    -0.209546    -14.851949      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00004651537824
                2p
                   -1 :              -0.00000859525267
                   +0 :               0.00001215375110
                   +1 :              -0.00000045645670
                3s
                   +0 :              -0.00006781028047
                4s
                   +0 :               0.00000726364631
                3p
                   -1 :               0.00000564929022
                   +0 :              -0.00006819672038
                   +1 :              -0.00006911390419
                4p
                   -1 :               0.00000884351345
                   +0 :               0.00000140166379
                   +1 :               0.00001984826279
                3d
                   -2 :               0.00001417546941
                   -1 :               0.00003853105483
                   +0 :              -0.00001244616317
                   +1 :              -0.00000499844489
                   +2 :               0.00001413520460
             11 vec=    15.350780      3.115567      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00003570759963
                2p
                   -1 :              -0.00002846312249
                   +0 :              -0.00000335636478
                   +1 :               0.00001894548442
                3s
                   +0 :               0.00022782212407
                4s
                   +0 :              -0.00003069601993
                3p
                   -1 :               0.00022189264886
                   +0 :               0.00009575984196
                   +1 :              -0.00005045313433
                4p
                   -1 :              -0.00004721013512
                   +0 :              -0.00001370889013
                   +1 :               0.00003108199703
                3d
                   -2 :               0.00002061722892
                   -1 :               0.00006387934713
                   +0 :               0.00001177254063
                   +1 :               0.00000718246115
                   +2 :              -0.00003620933939
             12 vec=   -15.769871      3.115567      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00003166824533
                2p
                   -1 :               0.00002267073257
                   +0 :               0.00000663357138
                   +1 :              -0.00004149275997
                3s
                   +0 :               0.00002332108907
                4s
                   +0 :               0.00005506987479
                3p
                   -1 :              -0.00001605037500
                   +0 :               0.00006243527793
                   +1 :               0.00015071646987
                4p
                   -1 :               0.00001361016097
                   +0 :              -0.00000811753975
                   +1 :              -0.00005951405368
                3d
                   -2 :               0.00000949428495
                   -1 :               0.00000263630681
                   +0 :               0.00002692606220
                   +1 :               0.00001175002863
                   +2 :              -0.00004712878469
             13 vec=    15.350780     -5.868191      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00001543046550
                2p
                   -1 :               0.00001852076287
                   +0 :              -0.00000863484013
                   +1 :              -0.00002252473293
                3s
                   +0 :               0.00006719586518
                4s
                   +0 :              -0.00006178390066
                3p
                   -1 :              -0.00015203310993
                   +0 :               0.00008400565544
                   +1 :               0.00019246465663
                4p
                   -1 :               0.00005187794945
                   +0 :              -0.00004089338364
                   +1 :              -0.00008856830666
                3d
                   -2 :              -0.00005269198100
                   -1 :              -0.00002100193084
                   +0 :               0.00001335847954
                   +1 :               0.00001648804187
                   +2 :               0.00000005592374
             14 vec=   -15.769871     -5.868191      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000757441738
                2p
                   -1 :              -0.00001683772190
                   +0 :               0.00000721573182
                   +1 :              -0.00001041810815
                3s
                   +0 :               0.00005117128381
                4s
                   +0 :               0.00001276892550
                3p
                   -1 :               0.00008810263716
                   +0 :              -0.00006805079880
                   +1 :               0.00004503744970
                4p
                   -1 :              -0.00003781967677
                   +0 :               0.00002112058655
                   +1 :              -0.00001976955453
                3d
                   -2 :              -0.00001182957169
                   -1 :               0.00001364992899
                   +0 :               0.00001205605626
                   +1 :               0.00003201917689
                   +2 :              -0.00000708023318
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al(  7)  npairs=  13
              1 vec=    -0.209546      3.115567     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00164813756860
                2p
                   -1 :               0.00106154713555
                   +0 :              -0.00128652931657
                   +1 :              -0.00012744828022
                3s
                   +0 :              -0.00675501508476
                4s
                   +0 :               0.00243409989242
                3p
                   -1 :              -0.00121511714941
                   +0 :              -0.00034888575104
                   +1 :               0.00057272944761
                4p
                   -1 :               0.00027658228558
                   +0 :              -0.00173464969899
                   +1 :               0.00006766768770
                3d
                   -2 :               0.00061479613054
                   -1 :              -0.00257072254411
                   +0 :               0.00269957499168
                   +1 :               0.00006353284229
                   +2 :              -0.00337788597896
              2 vec=    -0.209546     -5.868191     -6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00121491609380
                2p
                   -1 :               0.00013123930975
                   +0 :               0.00009620648565
                   +1 :               0.00031906045906
                3s
                   +0 :              -0.01650881942066
                4s
                   +0 :               0.00033710838748
                3p
                   -1 :               0.00990988537711
                   +0 :               0.00819875049058
                   +1 :              -0.00204387885292
                4p
                   -1 :               0.00045184921763
                   +0 :               0.00054173179761
                   +1 :               0.00065423127802
                3d
                   -2 :               0.00037180924324
                   -1 :              -0.00431083560953
                   +0 :              -0.00062364112913
                   +1 :               0.00031426992599
                   +2 :               0.00285497608764
              3 vec=     7.570617     -1.376312     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00064565851961
                2p
                   -1 :              -0.00074402715658
                   +0 :               0.00038807435380
                   +1 :               0.00022126402209
                3s
                   +0 :              -0.00055710827024
                4s
                   +0 :               0.00107243151735
                3p
                   -1 :               0.00343926738250
                   +0 :              -0.00108345220005
                   +1 :              -0.00268936973512
                4p
                   -1 :              -0.00090986399329
                   +0 :              -0.00024927270501
                   +1 :               0.00116365934920
                3d
                   -2 :               0.00080801972072
                   -1 :              -0.00036804970074
                   +0 :              -0.00039208674236
                   +1 :               0.00008207208201
                   +2 :              -0.00108718197218
              4 vec=    -7.989708     -1.376312     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00047687764226
                2p
                   -1 :              -0.00010484898812
                   +0 :              -0.00001220333248
                   +1 :              -0.00017381351487
                3s
                   +0 :              -0.00240707109822
                4s
                   +0 :               0.00080741477761
                3p
                   -1 :               0.00040772879779
                   +0 :              -0.00020279493292
                   +1 :               0.00185255315676
                4p
                   -1 :              -0.00015950438538
                   +0 :               0.00006324714751
                   +1 :              -0.00063278562948
                3d
                   -2 :              -0.00002623764078
                   -1 :              -0.00008350467582
                   +0 :              -0.00024990983219
                   +1 :              -0.00008379004004
                   +2 :              -0.00042734784377
              5 vec=     7.570617      7.607446     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00028462090284
                2p
                   -1 :               0.00002028708337
                   +0 :              -0.00010560651588
                   +1 :               0.00007075717772
                3s
                   +0 :              -0.00069020355396
                4s
                   +0 :               0.00003416330620
                3p
                   -1 :               0.00042057730566
                   +0 :               0.00069602891569
                   +1 :              -0.00017034652686
                4p
                   -1 :              -0.00021162618459
                   +0 :              -0.00006173685045
                   +1 :              -0.00005587056188
                3d
                   -2 :               0.00015465063119
                   -1 :               0.00002716521425
                   +0 :              -0.00029252851235
                   +1 :               0.00020236656786
                   +2 :              -0.00012464490708
              6 vec=    -7.989708      7.607446     -6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00042933419294
                2p
                   -1 :              -0.00015514586536
                   +0 :               0.00013081771345
                   +1 :               0.00011729195440
                3s
                   +0 :               0.00142043523615
                4s
                   +0 :              -0.00045875952935
                3p
                   -1 :               0.00094303367662
                   +0 :              -0.00057951428676
                   +1 :              -0.00060384236547
                4p
                   -1 :              -0.00015088427816
                   +0 :               0.00017467976198
                   +1 :               0.00011894771927
                3d
                   -2 :              -0.00011888556377
                   -1 :              -0.00009818976285
                   +0 :              -0.00005055961977
                   +1 :               0.00015217058345
                   +2 :              -0.00001585901110
              7 vec=    -0.209546     12.099325     -6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00013835781448
                2p
                   -1 :               0.00000618107648
                   +0 :               0.00008719528766
                   +1 :              -0.00001365669194
                3s
                   +0 :               0.00026792777256
                4s
                   +0 :              -0.00016860864151
                3p
                   -1 :              -0.00015262227108
                   +0 :              -0.00050687582713
                   +1 :               0.00013685517966
                4p
                   -1 :              -0.00001461983827
                   +0 :               0.00010126053469
                   +1 :              -0.00008043637639
                3d
                   -2 :               0.00001763011216
                   -1 :              -0.00007526457754
                   +0 :              -0.00002400593014
                   +1 :               0.00001623235103
                   +2 :               0.00008071256838
              8 vec=     7.570617    -10.360070     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00008816670241
                2p
                   -1 :               0.00002027323069
                   +0 :              -0.00003780465485
                   +1 :               0.00000348207315
                3s
                   +0 :               0.00029164368916
                4s
                   +0 :              -0.00013017036427
                3p
                   -1 :              -0.00008402143128
                   +0 :               0.00009100648931
                   +1 :              -0.00013027402005
                4p
                   -1 :              -0.00000328744579
                   +0 :               0.00004051547861
                   +1 :               0.00003339176915
                3d
                   -2 :               0.00009231089159
                   -1 :              -0.00002508067022
                   +0 :               0.00006658048189
                   +1 :              -0.00000789814179
                   +2 :              -0.00006111210868
              9 vec=    -7.989708    -10.360070     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00004380228119
                2p
                   -1 :               0.00001301525005
                   +0 :               0.00000290363697
                   +1 :               0.00003844675669
                3s
                   +0 :               0.00004230788012
                4s
                   +0 :               0.00008415359015
                3p
                   -1 :              -0.00017063230954
                   +0 :               0.00005688694806
                   +1 :              -0.00011563406058
                4p
                   -1 :               0.00002719569927
                   +0 :              -0.00003652767270
                   +1 :              -0.00001432901213
                3d
                   -2 :               0.00002640735119
                   -1 :               0.00000425156103
                   +0 :              -0.00000882232369
                   +1 :              -0.00002132979799
                   +2 :               0.00000918705183
             10 vec=    -0.209546    -14.851949     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00008804555508
                2p
                   -1 :              -0.00001547254658
                   +0 :              -0.00004454395710
                   +1 :              -0.00001327203973
                3s
                   +0 :              -0.00033494289496
                4s
                   +0 :               0.00006848305518
                3p
                   -1 :               0.00005430989551
                   +0 :               0.00022580763545
                   +1 :               0.00012731965998
                4p
                   -1 :               0.00001988615807
                   +0 :              -0.00005136120222
                   +1 :              -0.00004932320118
                3d
                   -2 :              -0.00002034633401
                   -1 :              -0.00003903785896
                   +0 :              -0.00003941701704
                   +1 :               0.00000556325900
                   +2 :               0.00001105388282
             11 vec=    15.350780      3.115567     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00002068188087
                2p
                   -1 :              -0.00000147774692
                   +0 :               0.00002031191333
                   +1 :              -0.00000326020434
                3s
                   +0 :               0.00000301237199
                4s
                   +0 :              -0.00004566620033
                3p
                   -1 :               0.00003960479309
                   +0 :              -0.00012363003503
                   +1 :               0.00004387753546
                4p
                   -1 :              -0.00002745116725
                   +0 :               0.00003487058144
                   +1 :              -0.00003487923085
                3d
                   -2 :               0.00001641203464
                   -1 :              -0.00000335301613
                   +0 :               0.00001679202682
                   +1 :              -0.00002855119848
                   +2 :              -0.00003423013727
             12 vec=   -15.769871      3.115567     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00001576127236
                2p
                   -1 :               0.00001933230857
                   +0 :              -0.00003725156806
                   +1 :               0.00001584186803
                3s
                   +0 :              -0.00009555552625
                4s
                   +0 :               0.00001080973430
                3p
                   -1 :              -0.00011091395139
                   +0 :               0.00018713037004
                   +1 :              -0.00007585298877
                4p
                   -1 :               0.00002069866738
                   +0 :              -0.00003518162574
                   +1 :               0.00003423264630
                3d
                   -2 :               0.00001804406400
                   -1 :               0.00000656547884
                   +0 :              -0.00003430466105
                   +1 :              -0.00004300257157
                   +2 :               0.00003026404000
             13 vec=    15.350780     -5.868191     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00001782372978
                2p
                   -1 :              -0.00003019681147
                   +0 :               0.00002610752806
                   +1 :              -0.00000000788707
                3s
                   +0 :              -0.00014266595666
                4s
                   +0 :               0.00009770403029
                3p
                   -1 :               0.00020612154844
                   +0 :              -0.00010196130462
                   +1 :              -0.00003322346595
                4p
                   -1 :              -0.00007506343191
                   +0 :               0.00000812430661
                   +1 :               0.00002939732724
                3d
                   -2 :               0.00002668073138
                   -1 :               0.00002218743981
                   +0 :              -0.00002110864383
                   +1 :              -0.00003094882645
                   +2 :              -0.00000418271113
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al(  8)  npairs=  15
              1 vec=    -0.209546      3.115567     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00079768879010
                2p
                   -1 :               0.00042273843501
                   +0 :               0.00037883940903
                   +1 :              -0.00015044785206
                3s
                   +0 :              -0.00056717453045
                4s
                   +0 :               0.00021001456153
                3p
                   -1 :              -0.00299227840348
                   +0 :              -0.00052442130823
                   +1 :               0.00015923216293
                4p
                   -1 :               0.00058210429038
                   +0 :               0.00008809655240
                   +1 :              -0.00000078875392
                3d
                   -2 :              -0.00001338142940
                   -1 :              -0.00030096485991
                   +0 :               0.00022684806238
                   +1 :              -0.00002581645806
                   +2 :               0.00023840160877
              2 vec=    -0.209546     -5.868191     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00004372979312
                2p
                   -1 :              -0.00004302490026
                   +0 :               0.00005590735924
                   +1 :              -0.00004098436712
                3s
                   +0 :               0.00089272453433
                4s
                   +0 :              -0.00019174025732
                3p
                   -1 :              -0.00011843361864
                   +0 :              -0.00024427369805
                   +1 :               0.00082251223522
                4p
                   -1 :              -0.00000630775963
                   +0 :              -0.00006626332810
                   +1 :               0.00001521329312
                3d
                   -2 :              -0.00025398235610
                   -1 :               0.00018078805149
                   +0 :              -0.00034223588666
                   +1 :               0.00024805000089
                   +2 :               0.00047776276661
              3 vec=     7.570617     -1.376312     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00025808923048
                2p
                   -1 :              -0.00010362617520
                   +0 :              -0.00003260753032
                   +1 :               0.00003421590761
                3s
                   +0 :               0.00230464250063
                4s
                   +0 :              -0.00032117377796
                3p
                   -1 :              -0.00001772586246
                   +0 :               0.00121747403285
                   +1 :               0.00095386119064
                4p
                   -1 :              -0.00010688348522
                   +0 :              -0.00011716062552
                   +1 :              -0.00006498812839
                3d
                   -2 :              -0.00012270925478
                   -1 :              -0.00004156576650
                   +0 :               0.00015108811998
                   +1 :               0.00028827095451
                   +2 :               0.00009460526959
              4 vec=    -7.989708     -1.376312     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00031852664497
                2p
                   -1 :               0.00002409523052
                   +0 :              -0.00002520791775
                   +1 :               0.00004559771067
                3s
                   +0 :               0.00288396822293
                4s
                   +0 :              -0.00055420344883
                3p
                   -1 :              -0.00068167263622
                   +0 :               0.00125296694276
                   +1 :              -0.00151247481386
                4p
                   -1 :              -0.00002752805402
                   +0 :              -0.00013890016766
                   +1 :               0.00016632244136
                3d
                   -2 :               0.00035281561208
                   -1 :              -0.00029411844087
                   +0 :               0.00022099749811
                   +1 :              -0.00038648637120
                   +2 :               0.00025648058189
              5 vec=    -0.209546      3.115567    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00000711330225
                2p
                   -1 :              -0.00008894393051
                   +0 :              -0.00000516184772
                   +1 :              -0.00006283306144
                3s
                   +0 :              -0.00004891401963
                4s
                   +0 :               0.00003929016419
                3p
                   -1 :               0.00048343123244
                   +0 :              -0.00007335624048
                   +1 :               0.00027773874870
                4p
                   -1 :              -0.00008827176923
                   +0 :              -0.00000364198989
                   +1 :              -0.00006012440958
                3d
                   -2 :               0.00008565156020
                   -1 :              -0.00007508948109
                   +0 :               0.00002111867216
                   +1 :              -0.00008411983564
                   +2 :              -0.00001095173861
              6 vec=    -0.209546     -5.868191    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00017277779067
                2p
                   -1 :              -0.00014475450348
                   +0 :              -0.00002468877083
                   +1 :               0.00000020834822
                3s
                   +0 :              -0.00054244046780
                4s
                   +0 :               0.00014742049296
                3p
                   -1 :               0.00050735205978
                   +0 :               0.00000976754242
                   +1 :              -0.00005304868802
                4p
                   -1 :              -0.00007665330134
                   +0 :              -0.00000352825322
                   +1 :               0.00003678286081
                3d
                   -2 :               0.00001327687417
                   -1 :              -0.00000411545921
                   +0 :               0.00008404163802
                   +1 :              -0.00002036838705
                   +2 :               0.00014050500335
              7 vec=     7.570617      7.607446     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00003269323285
                2p
                   -1 :               0.00002417604891
                   +0 :               0.00001496173534
                   +1 :              -0.00004082771796
                3s
                   +0 :               0.00024816136120
                4s
                   +0 :              -0.00007857084470
                3p
                   -1 :              -0.00010997687433
                   +0 :              -0.00014920660950
                   +1 :               0.00022047387961
                4p
                   -1 :               0.00001831211976
                   +0 :               0.00002323706048
                   +1 :              -0.00005440400273
                3d
                   -2 :               0.00000315559439
                   -1 :              -0.00004290546862
                   +0 :               0.00001419880646
                   +1 :              -0.00000970055314
                   +2 :               0.00001397110948
              8 vec=    -7.989708      7.607446     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00017774340501
                2p
                   -1 :              -0.00007591742713
                   +0 :              -0.00002319526447
                   +1 :               0.00000251582966
                3s
                   +0 :               0.00061184721426
                4s
                   +0 :              -0.00013288140995
                3p
                   -1 :               0.00039787648884
                   +0 :               0.00006048672280
                   +1 :               0.00003469480655
                4p
                   -1 :              -0.00007859685043
                   +0 :               0.00001393997217
                   +1 :              -0.00003324905962
                3d
                   -2 :               0.00003298391116
                   -1 :               0.00000886585654
                   +0 :              -0.00000677026275
                   +1 :              -0.00000466522992
                   +2 :              -0.00006824563511
              9 vec=     7.570617     -1.376312    -13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00006785240944
                2p
                   -1 :              -0.00002273849248
                   +0 :              -0.00002056614406
                   +1 :               0.00000510826988
                3s
                   +0 :              -0.00044395305974
                4s
                   +0 :               0.00012883062890
                3p
                   -1 :               0.00002447061256
                   +0 :               0.00016652988410
                   +1 :              -0.00020234256164
                4p
                   -1 :              -0.00002191872352
                   +0 :              -0.00007897966339
                   +1 :               0.00002298935803
                3d
                   -2 :              -0.00007358628980
                   -1 :              -0.00001037057973
                   +0 :               0.00000494554039
                   +1 :               0.00005851115241
                   +2 :               0.00000686424722
             10 vec=    -7.989708     -1.376312    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00006224029330
                2p
                   -1 :              -0.00004729843941
                   +0 :               0.00001909237281
                   +1 :               0.00001248106580
                3s
                   +0 :              -0.00019328194793
                4s
                   +0 :               0.00003251147346
                3p
                   -1 :               0.00005858660532
                   +0 :               0.00003551741306
                   +1 :               0.00018200990250
                4p
                   -1 :              -0.00006737914557
                   +0 :              -0.00005127676501
                   +1 :               0.00001121816578
                3d
                   -2 :               0.00004360686833
                   -1 :              -0.00005604775073
                   +0 :               0.00000970434247
                   +1 :              -0.00000201238653
                   +2 :              -0.00009901402795
             11 vec=    -0.209546     12.099325     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00020580887588
                2p
                   -1 :               0.00009036549337
                   +0 :               0.00009550724913
                   +1 :              -0.00001326931924
                3s
                   +0 :              -0.00075013059221
                4s
                   +0 :               0.00033408917388
                3p
                   -1 :              -0.00045586023582
                   +0 :              -0.00040885185593
                   +1 :               0.00011769106089
                4p
                   -1 :               0.00013263270491
                   +0 :               0.00015740303545
                   +1 :              -0.00002408659703
                3d
                   -2 :               0.00005049207583
                   -1 :              -0.00008520411444
                   +0 :              -0.00005991025724
                   +1 :               0.00004129481869
                   +2 :               0.00002261277011
             12 vec=     7.570617    -10.360070     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00007078617120
                2p
                   -1 :              -0.00002957311555
                   +0 :               0.00005923312419
                   +1 :               0.00000358711847
                3s
                   +0 :              -0.00031295362942
                4s
                   +0 :               0.00007829581309
                3p
                   -1 :               0.00021132951907
                   +0 :              -0.00037363413135
                   +1 :              -0.00008525791263
                4p
                   -1 :              -0.00002835033182
                   +0 :               0.00008419036227
                   +1 :               0.00001876927689
                3d
                   -2 :               0.00002442312675
                   -1 :               0.00007989766343
                   +0 :              -0.00007851902946
                   +1 :              -0.00004106017406
                   +2 :               0.00005775822961
             13 vec=    -7.989708    -10.360070     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00001718723689
                2p
                   -1 :              -0.00003199999667
                   +0 :              -0.00002397195995
                   +1 :              -0.00000318338117
                3s
                   +0 :               0.00012142658563
                4s
                   +0 :              -0.00001889945766
                3p
                   -1 :               0.00023099824511
                   +0 :               0.00017401472107
                   +1 :               0.00000628295714
                4p
                   -1 :              -0.00003737661257
                   +0 :              -0.00003036011381
                   +1 :               0.00000875465674
                3d
                   -2 :              -0.00007528936103
                   -1 :               0.00007876598753
                   +0 :               0.00002384940188
                   +1 :              -0.00002590088820
                   +2 :               0.00006364790609
             14 vec=     7.570617      7.607446    -13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00000513165035
                2p
                   -1 :              -0.00000861655749
                   +0 :               0.00001723320215
                   +1 :              -0.00003120979979
                3s
                   +0 :              -0.00048103235008
                4s
                   +0 :               0.00000432267287
                3p
                   -1 :              -0.00013964525931
                   +0 :               0.00003332358452
                   +1 :              -0.00025022164544
                4p
                   -1 :              -0.00001439696003
                   +0 :               0.00000905869188
                   +1 :              -0.00002531033694
                3d
                   -2 :              -0.00009797994077
                   -1 :               0.00002441587866
                   +0 :               0.00005794658665
                   +1 :               0.00003843953715
                   +2 :              -0.00006623112827
             15 vec=    -7.989708      7.607446    -13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00001177085058
                2p
                   -1 :              -0.00001985760402
                   +0 :               0.00000232974303
                   +1 :               0.00000317042438
                3s
                   +0 :              -0.00020314573264
                4s
                   +0 :               0.00002305550553
                3p
                   -1 :              -0.00004753357461
                   +0 :               0.00004785291258
                   +1 :               0.00011591789786
                4p
                   -1 :              -0.00001362360249
                   +0 :              -0.00001319659069
                   +1 :              -0.00001515573489
                3d
                   -2 :               0.00002076961509
                   -1 :               0.00001647620957
                   +0 :               0.00001265690813
                   +1 :              -0.00001055866227
                   +2 :               0.00001577679781
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al(  9)  npairs=  13
              1 vec=    -2.802933     -1.376312      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00157400906923
                2p
                   -1 :               0.00036396436188
                   +0 :              -0.00127487692322
                   +1 :               0.00100197159737
                3s
                   +0 :               0.00617639636479
                4s
                   +0 :              -0.00251736336979
                3p
                   -1 :              -0.00000339737328
                   +0 :              -0.00040268440902
                   +1 :              -0.00111367311735
                4p
                   -1 :               0.00019741725082
                   +0 :              -0.00166510643579
                   +1 :               0.00026735508192
                3d
                   -2 :              -0.00305612464152
                   -1 :               0.00116656250049
                   +0 :              -0.00258136017903
                   +1 :               0.00220183083007
                   +2 :              -0.00111770202011
              2 vec=     4.977229      3.115567      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00124384023135
                2p
                   -1 :               0.00035562956146
                   +0 :               0.00012561889730
                   +1 :              -0.00003789238256
                3s
                   +0 :               0.01617056316618
                4s
                   +0 :              -0.00040236407254
                3p
                   -1 :               0.00298246612998
                   +0 :               0.00801848455028
                   +1 :               0.00910543566523
                4p
                   -1 :               0.00081467021454
                   +0 :               0.00060034797402
                   +1 :               0.00013210535568
                3d
                   -2 :               0.00217128030302
                   -1 :               0.00186645511309
                   +0 :               0.00063645165535
                   +1 :               0.00392887102549
                   +2 :               0.00163408455889
              3 vec=     4.977229     -5.868191      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00065173708869
                2p
                   -1 :              -0.00020500426134
                   +0 :               0.00038568962201
                   +1 :              -0.00076822849403
                3s
                   +0 :               0.00043295687644
                4s
                   +0 :              -0.00108342592548
                3p
                   -1 :              -0.00045005365292
                   +0 :              -0.00102412062299
                   +1 :               0.00448813449465
                4p
                   -1 :               0.00056368560030
                   +0 :              -0.00025078706924
                   +1 :              -0.00144316480707
                3d
                   -2 :              -0.00126607547553
                   -1 :               0.00003603453786
                   +0 :               0.00037946411623
                   +1 :               0.00034212903452
                   +2 :               0.00021093777733
              4 vec=    -2.802933      7.607446      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00049126251361
                2p
                   -1 :              -0.00022584579478
                   +0 :               0.00000721096576
                   +1 :               0.00002023256436
                3s
                   +0 :               0.00251582589315
                4s
                   +0 :              -0.00090308403535
                3p
                   -1 :               0.00191607860515
                   +0 :              -0.00031099844404
                   +1 :              -0.00061450497752
                4p
                   -1 :              -0.00066576042679
                   +0 :               0.00012771801890
                   +1 :               0.00014892662940
                3d
                   -2 :              -0.00042661315850
                   -1 :               0.00012228825537
                   +0 :               0.00022589758371
                   +1 :               0.00006860863327
                   +2 :              -0.00022134701997
              5 vec=    -2.802933    -10.360070      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00029664193857
                2p
                   -1 :               0.00007258965455
                   +0 :              -0.00010076678753
                   +1 :              -0.00003969692744
                3s
                   +0 :               0.00060215096563
                4s
                   +0 :              -0.00004266967359
                3p
                   -1 :               0.00010674634637
                   +0 :               0.00070813516782
                   +1 :               0.00051597663943
                4p
                   -1 :              -0.00013846499274
                   +0 :              -0.00005726016074
                   +1 :              -0.00020802185610
                3d
                   -2 :              -0.00012552190520
                   -1 :              -0.00019533887039
                   +0 :               0.00027507367051
                   +1 :               0.00009015050017
                   +2 :               0.00008428404197
              6 vec=   -10.583096      3.115567      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00040353458541
                2p
                   -1 :               0.00004059356681
                   +0 :               0.00015834755806
                   +1 :              -0.00021114311085
                3s
                   +0 :              -0.00126057437879
                4s
                   +0 :               0.00039529613720
                3p
                   -1 :              -0.00016137846066
                   +0 :              -0.00075989275057
                   +1 :               0.00116344402197
                4p
                   -1 :               0.00005091078038
                   +0 :               0.00023707183346
                   +1 :              -0.00018392843963
                3d
                   -2 :               0.00004246182225
                   -1 :              -0.00005445245397
                   +0 :               0.00004684032932
                   +1 :               0.00016558278009
                   +2 :              -0.00016525799546
              7 vec=   -10.583096     -5.868191      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00012498508368
                2p
                   -1 :              -0.00000217719107
                   +0 :               0.00008372659016
                   +1 :              -0.00000081326736
                3s
                   +0 :              -0.00006230786997
                4s
                   +0 :               0.00016561868596
                3p
                   -1 :              -0.00013317821348
                   +0 :              -0.00053989031921
                   +1 :              -0.00015214591935
                4p
                   -1 :              -0.00004552017860
                   +0 :               0.00009813611716
                   +1 :               0.00001607306657
                3d
                   -2 :               0.00009424863741
                   -1 :               0.00006186938591
                   +0 :               0.00002132428732
                   +1 :               0.00006076313729
                   +2 :               0.00000384910692
              8 vec=    12.757392     -1.376312      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00007687541341
                2p
                   -1 :               0.00001123515953
                   +0 :              -0.00003266515689
                   +1 :               0.00000957000771
                3s
                   +0 :              -0.00026694808307
                4s
                   +0 :               0.00015693541525
                3p
                   -1 :              -0.00015858492740
                   +0 :               0.00006403599311
                   +1 :               0.00000764580826
                4p
                   -1 :               0.00003888447299
                   +0 :               0.00003207624599
                   +1 :              -0.00000874679473
                3d
                   -2 :              -0.00010012102725
                   -1 :               0.00001647928753
                   +0 :              -0.00005784301569
                   +1 :              -0.00000255098866
                   +2 :               0.00003899115630
              9 vec=     4.977229     12.099325      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00001113970512
                2p
                   -1 :               0.00003524597140
                   +0 :              -0.00000056285769
                   +1 :               0.00002301165880
                3s
                   +0 :               0.00013798785962
                4s
                   +0 :              -0.00008366479716
                3p
                   -1 :              -0.00012318882916
                   +0 :               0.00002996379729
                   +1 :              -0.00030256195595
                4p
                   -1 :              -0.00000045788187
                   +0 :              -0.00004819017633
                   +1 :               0.00007468810818
                3d
                   -2 :              -0.00005895201543
                   -1 :               0.00001208994314
                   +0 :               0.00000587720821
                   +1 :               0.00002803358047
                   +2 :               0.00001414992720
             10 vec=    12.757392      7.607446      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00008334251331
                2p
                   -1 :              -0.00000382163421
                   +0 :              -0.00004139742636
                   +1 :              -0.00001569860524
                3s
                   +0 :               0.00033006677127
                4s
                   +0 :              -0.00005461296372
                3p
                   -1 :               0.00006236579862
                   +0 :               0.00021234075176
                   +1 :               0.00001149831282
                4p
                   -1 :              -0.00001264033482
                   +0 :              -0.00005034552926
                   +1 :               0.00004408118984
                3d
                   -2 :               0.00001982177392
                   -1 :               0.00001805461848
                   +0 :               0.00004324228987
                   +1 :               0.00003049136908
                   +2 :              -0.00000742055482
             11 vec=     4.977229    -14.851949      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00001031488418
                2p
                   -1 :              -0.00000838444031
                   +0 :               0.00001431524161
                   +1 :               0.00000608648695
                3s
                   +0 :              -0.00002246772580
                4s
                   +0 :               0.00004568136845
                3p
                   -1 :               0.00007751170508
                   +0 :              -0.00010811780165
                   +1 :              -0.00000520101188
                4p
                   -1 :              -0.00003548403358
                   +0 :               0.00003401336109
                   +1 :              -0.00000196673909
                3d
                   -2 :              -0.00002646706224
                   -1 :               0.00001945136094
                   +0 :              -0.00002081816281
                   +1 :               0.00000253779145
                   +2 :               0.00000634538400
             12 vec=   -10.583096     12.099325      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00001218063777
                2p
                   -1 :               0.00001512200810
                   +0 :              -0.00003676889316
                   +1 :               0.00000739379522
                3s
                   +0 :               0.00009161108554
                4s
                   +0 :              -0.00000000236704
                3p
                   -1 :              -0.00008768847591
                   +0 :               0.00018165092655
                   +1 :              -0.00004929111283
                4p
                   -1 :               0.00003727111896
                   +0 :              -0.00003343153335
                   +1 :              -0.00000390968432
                3d
                   -2 :               0.00001099609186
                   -1 :               0.00002660958347
                   +0 :               0.00004053104561
                   +1 :              -0.00002486838233
                   +2 :               0.00003466445752
             13 vec=    12.757392    -10.360070      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00002685789588
                2p
                   -1 :              -0.00000712070412
                   +0 :               0.00002029449229
                   +1 :              -0.00003050851257
                3s
                   +0 :               0.00017249577330
                4s
                   +0 :              -0.00009839156737
                3p
                   -1 :               0.00003282043583
                   +0 :              -0.00007416640626
                   +1 :               0.00021521640253
                4p
                   -1 :               0.00000124326291
                   +0 :              -0.00000097731342
                   +1 :              -0.00007819680830
                3d
                   -2 :              -0.00002429004827
                   -1 :               0.00001906749149
                   +0 :               0.00001175340276
                   +1 :              -0.00002133366290
                   +2 :               0.00002433695097
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al( 10)  npairs=  15
              1 vec=    -2.802933     -1.376312    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00082096826726
                2p
                   -1 :               0.00015620219793
                   +0 :               0.00043582509320
                   +1 :               0.00041475440672
                3s
                   +0 :               0.00094840717730
                4s
                   +0 :              -0.00031532352467
                3p
                   -1 :              -0.00171222794518
                   +0 :              -0.00072448894261
                   +1 :              -0.00232621790485
                4p
                   -1 :               0.00041279577921
                   +0 :               0.00017264857474
                   +1 :               0.00041326198392
                3d
                   -2 :               0.00019498407267
                   -1 :               0.00019656780701
                   +0 :              -0.00016755980985
                   +1 :               0.00028046809638
                   +2 :               0.00006582292243
              2 vec=     4.977229      3.115567    -10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00004395275519
                2p
                   -1 :              -0.00009169981180
                   +0 :               0.00008939141942
                   +1 :               0.00000134158181
                3s
                   +0 :              -0.00052935953391
                4s
                   +0 :               0.00013847286210
                3p
                   -1 :               0.00072393529077
                   +0 :              -0.00040326787395
                   +1 :              -0.00051636319286
                4p
                   -1 :              -0.00002436790986
                   +0 :              -0.00000512454175
                   +1 :              -0.00002564486514
                3d
                   -2 :               0.00051563923835
                   -1 :              -0.00032919370189
                   +0 :               0.00040891103872
                   +1 :              -0.00008810763361
                   +2 :               0.00000498988710
              3 vec=     4.977229     -5.868191    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00027676846736
                2p
                   -1 :              -0.00003424731370
                   +0 :              -0.00002667200685
                   +1 :              -0.00014790656107
                3s
                   +0 :              -0.00233775417479
                4s
                   +0 :               0.00032303470546
                3p
                   -1 :               0.00094519385710
                   +0 :               0.00121567790974
                   +1 :              -0.00022200714914
                4p
                   -1 :              -0.00015443356085
                   +0 :              -0.00009087727565
                   +1 :              -0.00015644219415
                3d
                   -2 :               0.00016297229400
                   -1 :              -0.00028182933059
                   +0 :              -0.00019217026669
                   +1 :               0.00018299537389
                   +2 :              -0.00007003534410
              4 vec=    -2.802933      7.607446    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00023825478603
                2p
                   -1 :               0.00002964439115
                   +0 :               0.00000779912568
                   +1 :               0.00000139031376
                3s
                   +0 :              -0.00260765230580
                4s
                   +0 :               0.00047145426757
                3p
                   -1 :              -0.00161967842927
                   +0 :               0.00113153113186
                   +1 :               0.00006761678774
                4p
                   -1 :               0.00014499411737
                   +0 :              -0.00009835755645
                   +1 :              -0.00009504311072
                3d
                   -2 :               0.00002494634398
                   -1 :               0.00049460627086
                   +0 :              -0.00025459386463
                   +1 :               0.00007158256990
                   +2 :               0.00040208642259
              5 vec=    -2.802933     -1.376312     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00001586110934
                2p
                   -1 :              -0.00006037511652
                   +0 :               0.00000523428204
                   +1 :              -0.00003633198005
                3s
                   +0 :               0.00033715319640
                4s
                   +0 :              -0.00005944584227
                3p
                   -1 :               0.00027190689825
                   +0 :              -0.00002828495151
                   +1 :               0.00031140895742
                4p
                   -1 :              -0.00001519372809
                   +0 :               0.00000886795983
                   +1 :              -0.00003353997106
                3d
                   -2 :              -0.00005417552006
                   -1 :               0.00010970359430
                   +0 :              -0.00004194211715
                   +1 :               0.00002696637665
                   +2 :               0.00010056445388
              6 vec=     4.977229      3.115567     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00017405059456
                2p
                   -1 :              -0.00008989113634
                   +0 :              -0.00002020808733
                   +1 :              -0.00007478121235
                3s
                   +0 :               0.00061641173376
                4s
                   +0 :              -0.00011278681895
                3p
                   -1 :               0.00023885972813
                   +0 :               0.00003398818656
                   +1 :               0.00021731133491
                4p
                   -1 :              -0.00003990796261
                   +0 :              -0.00001628302589
                   +1 :              -0.00003168500044
                3d
                   -2 :               0.00010994922544
                   -1 :               0.00004582388173
                   +0 :              -0.00008955237680
                   +1 :               0.00000959677337
                   +2 :               0.00001024979449
              7 vec=    -2.802933    -10.360070    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00003140393314
                2p
                   -1 :               0.00000005295210
                   +0 :               0.00001866070966
                   +1 :               0.00003600366626
                3s
                   +0 :              -0.00011687745291
                4s
                   +0 :              -0.00000568990299
                3p
                   -1 :              -0.00006272929482
                   +0 :              -0.00018744578565
                   +1 :              -0.00013046286727
                4p
                   -1 :               0.00004342226603
                   +0 :               0.00004197311621
                   +1 :               0.00001558069325
                3d
                   -2 :               0.00000840226760
                   -1 :               0.00005080353569
                   +0 :              -0.00003481708755
                   +1 :               0.00001476772194
                   +2 :              -0.00002873141554
              8 vec=   -10.583096      3.115567    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00008646664285
                2p
                   -1 :              -0.00002740720142
                   +0 :               0.00000085919691
                   +1 :              -0.00002411312860
                3s
                   +0 :              -0.00023057177659
                4s
                   +0 :              -0.00002638136946
                3p
                   -1 :               0.00016988047591
                   +0 :              -0.00008878207914
                   +1 :               0.00009266107774
                4p
                   -1 :              -0.00005684626263
                   +0 :               0.00007027209944
                   +1 :               0.00001353855484
                3d
                   -2 :              -0.00005544492054
                   -1 :              -0.00000701040498
                   +0 :               0.00000747305165
                   +1 :              -0.00000162600042
                   +2 :               0.00000582581044
              9 vec=     4.977229     -5.868191     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00003772378495
                2p
                   -1 :              -0.00003373764709
                   +0 :              -0.00001046302431
                   +1 :              -0.00004433762806
                3s
                   +0 :               0.00033334060207
                4s
                   +0 :              -0.00011479357763
                3p
                   -1 :               0.00003612379633
                   +0 :               0.00021485688020
                   +1 :               0.00029920353904
                4p
                   -1 :               0.00000416837460
                   +0 :              -0.00009682287602
                   +1 :              -0.00008008782323
                3d
                   -2 :              -0.00003421487617
                   -1 :              -0.00002340610217
                   +0 :               0.00002670880633
                   +1 :               0.00005283665976
                   +2 :              -0.00002171075530
             10 vec=    -2.802933      7.607446     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00005646308001
                2p
                   -1 :               0.00000351956186
                   +0 :               0.00002041030002
                   +1 :              -0.00000928729679
                3s
                   +0 :               0.00019755248331
                4s
                   +0 :              -0.00003903263016
                3p
                   -1 :               0.00015057246799
                   +0 :               0.00003863647516
                   +1 :              -0.00015108868230
                4p
                   -1 :              -0.00001568775167
                   +0 :              -0.00005323225435
                   +1 :              -0.00003339684796
                3d
                   -2 :              -0.00010947721229
                   -1 :               0.00002401908015
                   +0 :              -0.00000838055187
                   +1 :              -0.00000844338452
                   +2 :              -0.00002178701848
             11 vec=   -10.583096     -5.868191    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00022035848598
                2p
                   -1 :               0.00004069659917
                   +0 :               0.00007821289858
                   +1 :               0.00008283481993
                3s
                   +0 :               0.00072728091769
                4s
                   +0 :              -0.00033058521264
                3p
                   -1 :              -0.00022040738306
                   +0 :              -0.00035471042411
                   +1 :              -0.00036787254736
                4p
                   -1 :               0.00006797237271
                   +0 :               0.00014061164529
                   +1 :               0.00009498227694
                3d
                   -2 :               0.00002982202621
                   -1 :               0.00001895149310
                   +0 :               0.00002598575249
                   +1 :               0.00005456085408
                   +2 :               0.00003822961090
             12 vec=    12.757392     -1.376312    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00007548189631
                2p
                   -1 :              -0.00000614410488
                   +0 :               0.00004202258532
                   +1 :              -0.00003595821758
                3s
                   +0 :               0.00034805561276
                4s
                   +0 :              -0.00011021196086
                3p
                   -1 :              -0.00001079854071
                   +0 :              -0.00029622941754
                   +1 :               0.00029781657009
                4p
                   -1 :               0.00001676590425
                   +0 :               0.00006715366973
                   +1 :              -0.00005959292848
                3d
                   -2 :               0.00003899617200
                   -1 :               0.00000230244881
                   +0 :               0.00005140082596
                   +1 :              -0.00008727836457
                   +2 :               0.00004857537500
             13 vec=     4.977229     12.099325    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00003524795431
                2p
                   -1 :              -0.00000649430381
                   +0 :              -0.00000905863666
                   +1 :              -0.00000372002228
                3s
                   +0 :              -0.00012304890387
                4s
                   +0 :               0.00000525444920
                3p
                   -1 :               0.00010906097828
                   +0 :               0.00004543835220
                   +1 :               0.00004656516698
                4p
                   -1 :              -0.00003980619908
                   +0 :               0.00000038249451
                   +1 :              -0.00002335076686
                3d
                   -2 :               0.00002162113883
                   -1 :               0.00000622188799
                   +0 :              -0.00001752085989
                   +1 :              -0.00002455597375
                   +2 :              -0.00003228579741
             14 vec=    -2.802933    -10.360070     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00002219334669
                2p
                   -1 :              -0.00002762515097
                   +0 :               0.00001646825441
                   +1 :               0.00000180529964
                3s
                   +0 :               0.00041070656318
                4s
                   +0 :               0.00001029662640
                3p
                   -1 :              -0.00026267976921
                   +0 :               0.00003780314289
                   +1 :              -0.00002364635725
                4p
                   -1 :              -0.00002028617020
                   +0 :              -0.00000095456897
                   +1 :              -0.00000944206660
                3d
                   -2 :               0.00002146230671
                   -1 :              -0.00001283088056
                   +0 :              -0.00005958163230
                   +1 :              -0.00001433404596
                   +2 :              -0.00008098605149
             15 vec=   -10.583096      3.115567     13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00004324992776
                2p
                   -1 :               0.00001732691045
                   +0 :               0.00000101769353
                   +1 :              -0.00002901238659
                3s
                   +0 :               0.00007593514061
                4s
                   +0 :               0.00000535206112
                3p
                   -1 :              -0.00007162546840
                   +0 :               0.00008815660236
                   +1 :              -0.00004693870282
                4p
                   -1 :               0.00000638266331
                   +0 :              -0.00003099514401
                   +1 :              -0.00001409963800
                3d
                   -2 :               0.00003765252476
                   -1 :              -0.00002408919700
                   +0 :              -0.00000343245179
                   +1 :              -0.00001623227022
                   +2 :               0.00003201023976
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al( 11)  npairs=  14
              1 vec=    -2.802933     -1.376312      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02250422776301
                2p
                   -1 :              -0.01078466164631
                   +0 :               0.00427617237142
                   +1 :              -0.01943380829497
                3s
                   +0 :               0.03245098460908
                4s
                   +0 :               0.00943134816304
                3p
                   -1 :              -0.02265619425115
                   +0 :              -0.01439987448551
                   +1 :              -0.05364161572248
                4p
                   -1 :              -0.00627870305531
                   +0 :               0.00312280192245
                   +1 :              -0.00736585401609
                3d
                   -2 :               0.03045323567335
                   -1 :              -0.00142752825440
                   +0 :              -0.03073590654498
                   +1 :              -0.00084691536868
                   +2 :               0.02190142813038
              2 vec=     4.977229      3.115567      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00177398323786
                2p
                   -1 :              -0.00079312912955
                   +0 :               0.00037134734386
                   +1 :              -0.00121785793139
                3s
                   +0 :               0.00373047903841
                4s
                   +0 :              -0.00361254568621
                3p
                   -1 :               0.00062409731369
                   +0 :               0.00135272015373
                   +1 :               0.00624391579237
                4p
                   -1 :              -0.00058321879906
                   +0 :               0.00052535922516
                   +1 :              -0.00202966277004
                3d
                   -2 :               0.00173354798047
                   -1 :               0.00091931302279
                   +0 :               0.00016649365855
                   +1 :               0.00142167219025
                   +2 :               0.00206070006462
              3 vec=     4.977229     -5.868191      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00017666765571
                2p
                   -1 :               0.00047122205927
                   +0 :              -0.00021270087368
                   +1 :               0.00061337961118
                3s
                   +0 :              -0.00584350092368
                4s
                   +0 :               0.00092408668236
                3p
                   -1 :               0.00129896156987
                   +0 :               0.00144953508107
                   +1 :              -0.00805149662829
                4p
                   -1 :               0.00031254719180
                   +0 :              -0.00105642949668
                   +1 :               0.00111997151871
                3d
                   -2 :               0.00123144697618
                   -1 :               0.00012739034801
                   +0 :               0.00115560316466
                   +1 :              -0.00080969367513
                   +2 :              -0.00176891738499
              4 vec=    -2.802933      7.607446      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00049745341821
                2p
                   -1 :              -0.00057583312302
                   +0 :               0.00021482635614
                   +1 :               0.00077937842718
                3s
                   +0 :               0.00212176866845
                4s
                   +0 :              -0.00080931080103
                3p
                   -1 :               0.00205872549357
                   +0 :              -0.00096956742708
                   +1 :              -0.00387675801989
                4p
                   -1 :              -0.00066944228781
                   +0 :               0.00024829415798
                   +1 :               0.00124802327440
                3d
                   -2 :              -0.00083465106953
                   -1 :              -0.00022446187066
                   +0 :               0.00003048149801
                   +1 :              -0.00077658980858
                   +2 :              -0.00003576232892
              5 vec=    -2.802933    -10.360070      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00011884869420
                2p
                   -1 :               0.00001914423433
                   +0 :               0.00009172121966
                   +1 :              -0.00004654196683
                3s
                   +0 :               0.00051933265982
                4s
                   +0 :              -0.00008265957559
                3p
                   -1 :              -0.00106999107847
                   +0 :              -0.00128100403167
                   +1 :               0.00031677325678
                4p
                   -1 :               0.00033954995936
                   +0 :               0.00016881691688
                   +1 :              -0.00002200341225
                3d
                   -2 :              -0.00005979756678
                   -1 :               0.00027716556592
                   +0 :               0.00017401421181
                   +1 :               0.00017298282499
                   +2 :              -0.00014356715391
              6 vec=   -10.583096      3.115567      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00000380581700
                2p
                   -1 :              -0.00005658373523
                   +0 :               0.00000251335745
                   +1 :               0.00000574650919
                3s
                   +0 :               0.00113320613446
                4s
                   +0 :              -0.00035416086939
                3p
                   -1 :               0.00057365951054
                   +0 :              -0.00062275903415
                   +1 :              -0.00068887744453
                4p
                   -1 :              -0.00012508649303
                   +0 :               0.00008983393138
                   +1 :               0.00023591356976
                3d
                   -2 :              -0.00022337418422
                   -1 :              -0.00023369643476
                   +0 :               0.00027057127046
                   +1 :               0.00014969775446
                   +2 :              -0.00013933798831
              7 vec=   -10.583096     -5.868191      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00017265716033
                2p
                   -1 :              -0.00003207937657
                   +0 :              -0.00022484858677
                   +1 :               0.00011936034338
                3s
                   +0 :               0.00044562583276
                4s
                   +0 :               0.00003914799587
                3p
                   -1 :               0.00020200000265
                   +0 :               0.00103737701281
                   +1 :              -0.00055718067484
                4p
                   -1 :              -0.00006543159420
                   +0 :              -0.00025231749339
                   +1 :               0.00001756203773
                3d
                   -2 :               0.00000557669643
                   -1 :              -0.00000133066702
                   +0 :               0.00006399419805
                   +1 :              -0.00012435802929
                   +2 :               0.00010756000459
              8 vec=    12.757392     -1.376312      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00004789090653
                2p
                   -1 :              -0.00019645238152
                   +0 :               0.00020972766495
                   +1 :               0.00005010509877
                3s
                   +0 :               0.00040185738098
                4s
                   +0 :              -0.00025625927303
                3p
                   -1 :               0.00094611424242
                   +0 :              -0.00090433970270
                   +1 :              -0.00014339293226
                4p
                   -1 :              -0.00024034007803
                   +0 :               0.00021781256629
                   +1 :              -0.00004747261173
                3d
                   -2 :               0.00021671704586
                   -1 :              -0.00001283822097
                   +0 :               0.00010329211763
                   +1 :              -0.00019724204620
                   +2 :              -0.00021141549238
              9 vec=     4.977229     12.099325      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00021125776895
                2p
                   -1 :               0.00015042120837
                   +0 :               0.00001006448857
                   +1 :              -0.00003289845826
                3s
                   +0 :              -0.00048299915132
                4s
                   +0 :               0.00024125896632
                3p
                   -1 :              -0.00059750425027
                   +0 :               0.00026029325587
                   +1 :               0.00013883794692
                4p
                   -1 :               0.00016039952762
                   +0 :              -0.00004894475736
                   +1 :              -0.00006735743466
                3d
                   -2 :               0.00001410207388
                   -1 :              -0.00002327577975
                   +0 :               0.00009148807015
                   +1 :              -0.00004018916771
                   +2 :               0.00007876920520
             10 vec=    12.757392      7.607446      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00004518302943
                2p
                   -1 :               0.00001219314427
                   +0 :               0.00001913151493
                   +1 :              -0.00000260603144
                3s
                   +0 :              -0.00017425116729
                4s
                   +0 :               0.00007773331106
                3p
                   -1 :              -0.00016222964417
                   +0 :               0.00002199032445
                   +1 :              -0.00005341081946
                4p
                   -1 :               0.00006826946926
                   +0 :              -0.00001311600668
                   +1 :               0.00001987618185
                3d
                   -2 :              -0.00003273565459
                   -1 :               0.00002935285136
                   +0 :               0.00005884508792
                   +1 :               0.00004962621138
                   +2 :               0.00004557578444
             11 vec=     4.977229    -14.851949      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00001253975221
                2p
                   -1 :              -0.00001217721393
                   +0 :              -0.00001007850897
                   +1 :              -0.00003197547101
                3s
                   +0 :               0.00005718531290
                4s
                   +0 :              -0.00003540029072
                3p
                   -1 :               0.00006332411525
                   +0 :              -0.00005813856259
                   +1 :               0.00017711742770
                4p
                   -1 :              -0.00001409188839
                   +0 :               0.00004799343335
                   +1 :              -0.00007273615122
                3d
                   -2 :               0.00003698221190
                   -1 :               0.00000649725502
                   +0 :               0.00000190993898
                   +1 :              -0.00001534633651
                   +2 :               0.00004223575859
             12 vec=   -10.583096     12.099325      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00001112388153
                2p
                   -1 :               0.00000645313331
                   +0 :               0.00001287338550
                   +1 :               0.00000236023754
                3s
                   +0 :               0.00008957716421
                4s
                   +0 :              -0.00002505199133
                3p
                   -1 :              -0.00003634363942
                   +0 :              -0.00009082552605
                   +1 :              -0.00006521205697
                4p
                   -1 :               0.00000641175944
                   +0 :               0.00000409891205
                   +1 :               0.00001530635602
                3d
                   -2 :              -0.00001636405346
                   -1 :              -0.00001380033284
                   +0 :               0.00003792089578
                   +1 :               0.00001241798548
                   +2 :               0.00001021631655
             13 vec=    12.757392    -10.360070      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00002012687747
                2p
                   -1 :              -0.00000449265691
                   +0 :               0.00000314974817
                   +1 :               0.00002506137744
                3s
                   +0 :              -0.00017688342545
                4s
                   +0 :               0.00011649099089
                3p
                   -1 :               0.00012004382007
                   +0 :              -0.00001129069119
                   +1 :              -0.00018644145873
                4p
                   -1 :              -0.00007024150741
                   +0 :               0.00000001705004
                   +1 :               0.00006502237596
                3d
                   -2 :               0.00003195463102
                   -1 :               0.00001506803400
                   +0 :              -0.00002257776572
                   +1 :               0.00000358401693
                   +2 :              -0.00001500044178
             14 vec=    -2.802933     16.591204      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00002340133476
                2p
                   -1 :               0.00002184735717
                   +0 :               0.00001208370907
                   +1 :              -0.00001813491516
                3s
                   +0 :               0.00014051455305
                4s
                   +0 :              -0.00005145435565
                3p
                   -1 :              -0.00007320854007
                   +0 :              -0.00004634610428
                   +1 :               0.00010293020097
                4p
                   -1 :               0.00000787670913
                   +0 :               0.00000535221032
                   +1 :              -0.00003201975031
                3d
                   -2 :               0.00001310239317
                   -1 :               0.00000057879894
                   +0 :               0.00001958287148
                   +1 :               0.00002581740111
                   +2 :               0.00003697205871
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site Al( 12)  npairs=  14
              1 vec=    -2.802933     -1.376312     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00463998842220
                2p
                   -1 :              -0.00078043190772
                   +0 :              -0.00285550745063
                   +1 :              -0.00215087868883
                3s
                   +0 :              -0.01173231381306
                4s
                   +0 :               0.00752865184744
                3p
                   -1 :               0.00329783977297
                   +0 :               0.01203125696364
                   +1 :               0.00706631895736
                4p
                   -1 :              -0.00181362648479
                   +0 :              -0.00557063035074
                   +1 :              -0.00349000378231
                3d
                   -2 :               0.00092174983572
                   -1 :              -0.00049846275664
                   +0 :              -0.00206249700026
                   +1 :              -0.00078695024740
                   +2 :               0.00117436006811
              2 vec=     4.977229      3.115567     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00134290995192
                2p
                   -1 :              -0.00079885096606
                   +0 :               0.00048628182240
                   +1 :              -0.00097288916401
                3s
                   +0 :              -0.00983434963633
                4s
                   +0 :              -0.00150293539146
                3p
                   -1 :               0.00059961883148
                   +0 :               0.00034339997430
                   +1 :              -0.00819545901533
                4p
                   -1 :              -0.00173164418914
                   +0 :               0.00039813053799
                   +1 :              -0.00076599342739
                3d
                   -2 :              -0.00204034106203
                   -1 :              -0.00011050983726
                   +0 :               0.00213286125583
                   +1 :               0.00067841980537
                   +2 :              -0.00291917702005
              3 vec=     4.977229     -5.868191     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00045702144625
                2p
                   -1 :               0.00016221771668
                   +0 :               0.00011288138716
                   +1 :               0.00106175905973
                3s
                   +0 :               0.00075709932461
                4s
                   +0 :              -0.00017068992090
                3p
                   -1 :              -0.00099583977198
                   +0 :              -0.00062997348633
                   +1 :              -0.00478219728239
                4p
                   -1 :               0.00017918263038
                   +0 :               0.00025649612595
                   +1 :               0.00103920381660
                3d
                   -2 :               0.00103086163874
                   -1 :              -0.00018877541386
                   +0 :              -0.00018707296039
                   +1 :               0.00091907210179
                   +2 :               0.00019844701970
              4 vec=    -2.802933      7.607446     -5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00004839948428
                2p
                   -1 :              -0.00028381034144
                   +0 :              -0.00036618012671
                   +1 :               0.00014739355411
                3s
                   +0 :              -0.00001685294636
                4s
                   +0 :              -0.00017204715118
                3p
                   -1 :               0.00129022990445
                   +0 :               0.00231028053973
                   +1 :              -0.00081258121639
                4p
                   -1 :              -0.00070241615537
                   +0 :              -0.00063281862705
                   +1 :               0.00020945027714
                3d
                   -2 :              -0.00029695445088
                   -1 :               0.00039343756267
                   +0 :              -0.00021995519571
                   +1 :              -0.00013851864460
                   +2 :               0.00032732328190
              5 vec=    -2.802933    -10.360070     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00038298481547
                2p
                   -1 :               0.00024726825001
                   +0 :               0.00015293160268
                   +1 :              -0.00009428988742
                3s
                   +0 :               0.00067236180053
                4s
                   +0 :              -0.00039328946993
                3p
                   -1 :              -0.00102492410363
                   +0 :               0.00002964049782
                   +1 :               0.00006214465325
                4p
                   -1 :               0.00031926532774
                   +0 :               0.00011684755319
                   +1 :              -0.00008813694431
                3d
                   -2 :               0.00009825366488
                   -1 :              -0.00003722912146
                   +0 :              -0.00025359717396
                   +1 :               0.00004421185996
                   +2 :              -0.00009559479060
              6 vec=   -10.583096      3.115567     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00049317642476
                2p
                   -1 :              -0.00015953644376
                   +0 :               0.00018661965628
                   +1 :               0.00025082207033
                3s
                   +0 :               0.00131970151499
                4s
                   +0 :              -0.00026125405767
                3p
                   -1 :               0.00063681070618
                   +0 :              -0.00068805255305
                   +1 :              -0.00121251260108
                4p
                   -1 :              -0.00018234855244
                   +0 :               0.00013707644835
                   +1 :               0.00010375186872
                3d
                   -2 :              -0.00027543748196
                   -1 :              -0.00013920869039
                   +0 :              -0.00011090498893
                   +1 :               0.00041853511114
                   +2 :               0.00028679137402
              7 vec=   -10.583096     -5.868191     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00017705552842
                2p
                   -1 :              -0.00013328709642
                   +0 :              -0.00002285398848
                   +1 :              -0.00005822095845
                3s
                   +0 :              -0.00093303600367
                4s
                   +0 :               0.00022802960623
                3p
                   -1 :               0.00072848382195
                   +0 :              -0.00002338120763
                   +1 :               0.00042796723638
                4p
                   -1 :              -0.00016088685746
                   +0 :               0.00006866001506
                   +1 :              -0.00010250936618
                3d
                   -2 :              -0.00015250769488
                   -1 :              -0.00005845819334
                   +0 :              -0.00002940904131
                   +1 :              -0.00000721081855
                   +2 :               0.00013408226122
              8 vec=    12.757392     -1.376312     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00042334631950
                2p
                   -1 :              -0.00018152393049
                   +0 :               0.00005200336372
                   +1 :              -0.00025060813094
                3s
                   +0 :               0.00105644827857
                4s
                   +0 :              -0.00022386858929
                3p
                   -1 :               0.00086022918349
                   +0 :              -0.00022393472190
                   +1 :               0.00086020770299
                4p
                   -1 :              -0.00019099488934
                   +0 :               0.00005501513699
                   +1 :              -0.00006806974846
                3d
                   -2 :               0.00019317049979
                   -1 :              -0.00009334108638
                   +0 :              -0.00009852386928
                   +1 :              -0.00015371402817
                   +2 :               0.00016111221103
              9 vec=     4.977229     12.099325     -5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00000784488002
                2p
                   -1 :               0.00006182512957
                   +0 :               0.00001545459199
                   +1 :              -0.00002911725606
                3s
                   +0 :               0.00005181138790
                4s
                   +0 :              -0.00009159844711
                3p
                   -1 :              -0.00027068155534
                   +0 :              -0.00022476493121
                   +1 :               0.00022896473471
                4p
                   -1 :               0.00000106312164
                   +0 :               0.00007451730072
                   +1 :              -0.00004655323167
                3d
                   -2 :              -0.00007810277524
                   -1 :               0.00004134558209
                   +0 :              -0.00001668205470
                   +1 :              -0.00003914217078
                   +2 :               0.00010968783353
             10 vec=    12.757392      7.607446     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00007872503338
                2p
                   -1 :              -0.00001507390960
                   +0 :              -0.00000155017857
                   +1 :              -0.00000950619429
                3s
                   +0 :               0.00019918032157
                4s
                   +0 :              -0.00005384742761
                3p
                   -1 :              -0.00000384981397
                   +0 :               0.00000714165063
                   +1 :               0.00005882729252
                4p
                   -1 :               0.00001126355249
                   +0 :              -0.00002009118722
                   +1 :              -0.00001017393514
                3d
                   -2 :               0.00000193772458
                   -1 :              -0.00000071523586
                   +0 :               0.00002373666257
                   +1 :              -0.00003421976875
                   +2 :               0.00002015672209
             11 vec=     4.977229    -14.851949     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00004960099143
                2p
                   -1 :               0.00000205563394
                   +0 :              -0.00000022251026
                   +1 :              -0.00002512224325
                3s
                   +0 :              -0.00026673822715
                4s
                   +0 :               0.00003828875775
                3p
                   -1 :               0.00007162918649
                   +0 :               0.00008704471660
                   +1 :               0.00019591264383
                4p
                   -1 :               0.00000399432827
                   +0 :              -0.00001270980119
                   +1 :              -0.00005243188891
                3d
                   -2 :              -0.00004807593924
                   -1 :              -0.00003788906147
                   +0 :              -0.00000777597115
                   +1 :              -0.00005671779115
                   +2 :              -0.00000505477444
             12 vec=   -10.583096     12.099325     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00003423388710
                2p
                   -1 :              -0.00002806369333
                   +0 :               0.00000955199465
                   +1 :               0.00004078344768
                3s
                   +0 :               0.00000715234308
                4s
                   +0 :              -0.00005655867213
                3p
                   -1 :               0.00014106856962
                   +0 :               0.00005486418367
                   +1 :              -0.00010290015605
                4p
                   -1 :              -0.00004868688450
                   +0 :              -0.00000441135071
                   +1 :               0.00004400411764
                3d
                   -2 :              -0.00004835956632
                   -1 :              -0.00001043673517
                   +0 :              -0.00002791075204
                   +1 :               0.00000043996766
                   +2 :              -0.00001556249621
             13 vec=    12.757392    -10.360070     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00000163523089
                2p
                   -1 :              -0.00000355577812
                   +0 :               0.00000320964779
                   +1 :               0.00003147282366
                3s
                   +0 :              -0.00009175109206
                4s
                   +0 :               0.00006639692289
                3p
                   -1 :               0.00005040575726
                   +0 :               0.00004364989252
                   +1 :              -0.00022398459522
                4p
                   -1 :              -0.00003625698854
                   +0 :              -0.00003144928125
                   +1 :               0.00008201997226
                3d
                   -2 :               0.00001940633153
                   -1 :              -0.00000650683776
                   +0 :              -0.00002740065156
                   +1 :               0.00001868834740
                   +2 :              -0.00005146843249
             14 vec=    -2.802933     16.591204     -5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00001185898206
                2p
                   -1 :              -0.00002424511283
                   +0 :              -0.00000016654069
                   +1 :              -0.00000818180732
                3s
                   +0 :               0.00004062347815
                4s
                   +0 :              -0.00003267766693
                3p
                   -1 :               0.00012446827769
                   +0 :              -0.00001970131711
                   +1 :               0.00005107824733
                4p
                   -1 :              -0.00004128505028
                   +0 :               0.00001311035084
                   +1 :              -0.00002251379381
                3d
                   -2 :              -0.00000109453420
                   -1 :              -0.00001967560147
                   +0 :              -0.00000182329966
                   +1 :               0.00000555103036
                   +2 :              -0.00001649814406
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 13)  npairs=  18
              1 vec=    -3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00007003262174
                2s
                   +0 :               0.00015738000483
                3s
                   +0 :              -0.00020938305970
                2p
                   -1 :               0.00025870630403
                   +0 :               0.00004362875658
                   +1 :              -0.00047928470073
                3p
                   -1 :              -0.00017989653610
                   +0 :               0.00000343475605
                   +1 :               0.00042539007396
                3d
                   -2 :               0.00004085063162
                   -1 :               0.00002913396840
                   +0 :               0.00001950432715
                   +1 :              -0.00000821113922
                   +2 :               0.00001724872344
              2 vec=    -3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00004930699289
                2s
                   +0 :               0.00004858177111
                3s
                   +0 :               0.00021269927199
                2p
                   -1 :              -0.00024241344127
                   +0 :               0.00010122262216
                   +1 :               0.00038378966284
                3p
                   -1 :               0.00023466743212
                   +0 :               0.00001838689651
                   +1 :              -0.00030218527095
                3d
                   -2 :               0.00000803966129
                   -1 :              -0.00000227501882
                   +0 :               0.00000395060304
                   +1 :              -0.00003888753234
                   +2 :               0.00002741939215
              3 vec=     4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00009371620971
                2s
                   +0 :              -0.00123530933475
                3s
                   +0 :               0.00013647655660
                2p
                   -1 :              -0.00011077898756
                   +0 :               0.00093570993441
                   +1 :               0.00004589433946
                3p
                   -1 :               0.00016079472189
                   +0 :              -0.00003355489833
                   +1 :              -0.00009592574481
                3d
                   -2 :              -0.00003521132946
                   -1 :              -0.00003081555345
                   +0 :              -0.00000000955505
                   +1 :               0.00000592882053
                   +2 :               0.00000440047803
              4 vec=     4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00010429068627
                2s
                   +0 :               0.00120316390848
                3s
                   +0 :              -0.00026583710990
                2p
                   -1 :              -0.00031155742449
                   +0 :               0.00060941802295
                   +1 :               0.00004055138236
                3p
                   -1 :               0.00021642407253
                   +0 :              -0.00008303688002
                   +1 :              -0.00002347280169
                3d
                   -2 :               0.00005632871731
                   -1 :               0.00004516372030
                   +0 :              -0.00000459006059
                   +1 :              -0.00004922657024
                   +2 :              -0.00004593767173
              5 vec=    -3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005817972889
                2s
                   +0 :              -0.00060909879200
                3s
                   +0 :               0.00011978688833
                2p
                   -1 :               0.00035553225208
                   +0 :               0.00028081521215
                   +1 :              -0.00040455970232
                3p
                   -1 :              -0.00001037656928
                   +0 :              -0.00006045995865
                   +1 :               0.00017973404284
                3d
                   -2 :               0.00000892077878
                   -1 :              -0.00002425050350
                   +0 :               0.00001437171217
                   +1 :              -0.00000327766938
                   +2 :               0.00002176717846
              6 vec=    -3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00011130659697
                2s
                   +0 :               0.00153663138334
                3s
                   +0 :              -0.00016831783605
                2p
                   -1 :              -0.00073596967361
                   +0 :               0.00089637638440
                   +1 :               0.00017475315333
                3p
                   -1 :               0.00014617861603
                   +0 :              -0.00015237479779
                   +1 :              -0.00002537397302
                3d
                   -2 :              -0.00000245717041
                   -1 :              -0.00002342398663
                   +0 :               0.00001628830204
                   +1 :               0.00001950696675
                   +2 :              -0.00001905256226
              7 vec=     4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00010097935475
                2s
                   +0 :              -0.00154495591557
                3s
                   +0 :               0.00016509032573
                2p
                   -1 :              -0.00033579996074
                   +0 :               0.00109672523299
                   +1 :              -0.00067531000275
                3p
                   -1 :               0.00008976713817
                   +0 :              -0.00015614133709
                   +1 :               0.00000940488054
                3d
                   -2 :              -0.00002912027011
                   -1 :               0.00001153614530
                   +0 :              -0.00002069183737
                   +1 :               0.00004478972263
                   +2 :              -0.00003790276827
              8 vec=     4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00006833354923
                2s
                   +0 :               0.00068913024514
                3s
                   +0 :              -0.00014476662334
                2p
                   -1 :              -0.00017577051190
                   +0 :               0.00031375495426
                   +1 :               0.00043877815448
                3p
                   -1 :               0.00014723530472
                   +0 :              -0.00005533088950
                   +1 :              -0.00005990026578
                3d
                   -2 :               0.00001105189686
                   -1 :               0.00000377730721
                   +0 :              -0.00000872606106
                   +1 :               0.00002156439029
                   +2 :               0.00000872533676
              9 vec=   -10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000049016384
                2s
                   +0 :              -0.00003849853428
                3s
                   +0 :              -0.00000531247799
                2p
                   -1 :               0.00016278040250
                   +0 :               0.00005640530217
                   +1 :              -0.00004428065191
                3p
                   -1 :              -0.00014594781783
                   +0 :              -0.00001793388533
                   +1 :               0.00011867938583
                3d
                   -2 :               0.00000087606096
                   -1 :               0.00001177255061
                   +0 :               0.00000202958874
                   +1 :              -0.00000377220387
                   +2 :              -0.00001206482355
             10 vec=   -10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001606937606
                2s
                   +0 :               0.00015472319638
                3s
                   +0 :              -0.00004811948309
                2p
                   -1 :              -0.00002098975277
                   +0 :               0.00005315849092
                   +1 :              -0.00014387154465
                3p
                   -1 :              -0.00000626365927
                   +0 :               0.00000732299443
                   +1 :               0.00002319691624
                3d
                   -2 :               0.00000039740511
                   -1 :               0.00000467105253
                   +0 :               0.00000418239361
                   +1 :               0.00000464090261
                   +2 :              -0.00000184043079
             11 vec=    -3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001447602733
                2s
                   +0 :              -0.00011781294901
                3s
                   +0 :               0.00005585980495
                2p
                   -1 :              -0.00012249419136
                   +0 :               0.00004555529443
                   +1 :               0.00005483268188
                3p
                   -1 :              -0.00000943472151
                   +0 :              -0.00002306439481
                   +1 :               0.00000106845836
                3d
                   -2 :              -0.00000232297709
                   -1 :              -0.00000402987494
                   +0 :              -0.00000006961926
                   +1 :              -0.00000129565784
                   +2 :              -0.00000093456692
             12 vec=    -3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000012091920
                2s
                   +0 :               0.00004271735391
                3s
                   +0 :               0.00001544984193
                2p
                   -1 :               0.00004027670078
                   +0 :              -0.00002047703983
                   +1 :               0.00012731276758
                3p
                   -1 :               0.00004370966083
                   +0 :               0.00005643440934
                   +1 :              -0.00013784232870
                3d
                   -2 :              -0.00001141624970
                   -1 :              -0.00000003722508
                   +0 :               0.00000320281010
                   +1 :              -0.00001445798030
                   +2 :              -0.00000604006826
             13 vec=   -10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001747582370
                2s
                   +0 :              -0.00014642909564
                3s
                   +0 :               0.00005010168265
                2p
                   -1 :              -0.00011644908893
                   +0 :               0.00010744477279
                   +1 :               0.00012342547468
                3p
                   -1 :               0.00006896065078
                   +0 :              -0.00005292793840
                   +1 :              -0.00001850723274
                3d
                   -2 :              -0.00000228044445
                   -1 :              -0.00000432000872
                   +0 :              -0.00000026406864
                   +1 :               0.00000337173418
                   +2 :              -0.00000631256789
             14 vec=   -10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00003257665592
                2s
                   +0 :               0.00025140064042
                3s
                   +0 :              -0.00008889987445
                2p
                   -1 :               0.00006259844272
                   +0 :               0.00006866808765
                   +1 :              -0.00020314530255
                3p
                   -1 :               0.00000269535511
                   +0 :              -0.00005415230363
                   +1 :               0.00010591663305
                3d
                   -2 :              -0.00000290528292
                   -1 :               0.00000175784767
                   +0 :              -0.00000098324976
                   +1 :               0.00000721804347
                   +2 :              -0.00000824460468
             15 vec=     4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000952024389
                2s
                   +0 :              -0.00009657365639
                3s
                   +0 :               0.00003536826556
                2p
                   -1 :               0.00006574560872
                   +0 :              -0.00001342687600
                   +1 :               0.00002950048621
                3p
                   -1 :              -0.00006183443234
                   +0 :              -0.00000218647388
                   +1 :              -0.00005660327917
                3d
                   -2 :               0.00000112955118
                   -1 :               0.00000982477923
                   +0 :              -0.00000394726659
                   +1 :               0.00000094112361
                   +2 :              -0.00001058618887
             16 vec=     4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000707461646
                2s
                   +0 :               0.00002629826143
                3s
                   +0 :              -0.00000536219065
                2p
                   -1 :              -0.00004654994811
                   +0 :              -0.00011636443132
                   +1 :               0.00000143373026
                3p
                   -1 :               0.00003496183575
                   +0 :               0.00003640300478
                   +1 :               0.00002315278858
                3d
                   -2 :              -0.00000282807111
                   -1 :              -0.00000016469684
                   +0 :               0.00000138581546
                   +1 :               0.00000946050200
                   +2 :               0.00000343166781
             17 vec=    12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001592857773
                2s
                   +0 :              -0.00012013271171
                3s
                   +0 :               0.00004806064671
                2p
                   -1 :               0.00006841740606
                   +0 :               0.00000798352596
                   +1 :              -0.00011803133367
                3p
                   -1 :              -0.00002710413569
                   +0 :              -0.00003823457753
                   +1 :               0.00007287950300
                3d
                   -2 :              -0.00000140981721
                   -1 :               0.00000283610413
                   +0 :               0.00000472792975
                   +1 :              -0.00000689549662
                   +2 :               0.00000103383441
             18 vec=    12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000865127251
                2s
                   +0 :               0.00008991372267
                3s
                   +0 :              -0.00003693567469
                2p
                   -1 :              -0.00003399035159
                   +0 :               0.00002999616735
                   +1 :               0.00004994143826
                3p
                   -1 :              -0.00000911905436
                   +0 :              -0.00003977214665
                   +1 :              -0.00004404733046
                3d
                   -2 :              -0.00000277834152
                   -1 :              -0.00000057575406
                   +0 :              -0.00000214417057
                   +1 :              -0.00000982685814
                   +2 :              -0.00000414990078
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 14)  npairs=  14
              1 vec=     0.000000     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00011235155002
                2s
                   +0 :               0.00027945055840
                3s
                   +0 :              -0.00044975942712
                2p
                   -1 :              -0.00077932330978
                   +0 :              -0.00063777012303
                   +1 :              -0.00035088249217
                3p
                   -1 :               0.00068837012545
                   +0 :               0.00066409980920
                   +1 :               0.00022914942117
                3d
                   -2 :              -0.00000254782494
                   -1 :              -0.00003698839221
                   +0 :              -0.00000628535549
                   +1 :              -0.00001297135885
                   +2 :              -0.00000104608449
              2 vec=     0.000000     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000389322862
                2s
                   +0 :               0.00061463183002
                3s
                   +0 :               0.00003406869786
                2p
                   -1 :               0.00037145740613
                   +0 :               0.00036282436116
                   +1 :               0.00022456769958
                3p
                   -1 :              -0.00010996126339
                   +0 :              -0.00023048487389
                   +1 :              -0.00016478919730
                3d
                   -2 :               0.00003573331069
                   -1 :               0.00000130245190
                   +0 :               0.00000046960315
                   +1 :              -0.00000468785028
                   +2 :               0.00001505068416
              3 vec=     0.000000      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00007650656641
                2s
                   +0 :              -0.00122224061996
                3s
                   +0 :               0.00006416076423
                2p
                   -1 :              -0.00044358053045
                   +0 :               0.00113212814767
                   +1 :              -0.00006061086617
                3p
                   -1 :               0.00006769842384
                   +0 :              -0.00004344389962
                   +1 :               0.00025488350239
                3d
                   -2 :               0.00002634476525
                   -1 :               0.00002481851187
                   +0 :              -0.00001447182538
                   +1 :              -0.00005254807826
                   +2 :              -0.00002737885323
              4 vec=     0.000000      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00016260511333
                2s
                   +0 :               0.00172462562117
                3s
                   +0 :              -0.00021958835988
                2p
                   -1 :               0.00064457844701
                   +0 :               0.00084849546950
                   +1 :              -0.00020284265340
                3p
                   -1 :              -0.00035058949474
                   +0 :              -0.00003059081986
                   +1 :               0.00007050245346
                3d
                   -2 :              -0.00001353474334
                   -1 :               0.00000684287666
                   +0 :               0.00005604200739
                   +1 :              -0.00001679579747
                   +2 :               0.00001379507545
              5 vec=    -7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00006407186897
                2s
                   +0 :              -0.00048945836682
                3s
                   +0 :               0.00015955466710
                2p
                   -1 :               0.00001283032161
                   +0 :               0.00007362095226
                   +1 :               0.00019480575151
                3p
                   -1 :              -0.00015795104421
                   +0 :              -0.00000893189408
                   +1 :              -0.00010131014782
                3d
                   -2 :               0.00001482052050
                   -1 :               0.00002375558868
                   +0 :               0.00001685854526
                   +1 :               0.00000948006500
                   +2 :               0.00001994519427
              6 vec=    -7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00006761785651
                2s
                   +0 :               0.00075242270782
                3s
                   +0 :              -0.00011987347163
                2p
                   -1 :               0.00057302973136
                   +0 :               0.00050203192782
                   +1 :              -0.00023949442962
                3p
                   -1 :              -0.00015592422592
                   +0 :              -0.00020225683438
                   +1 :               0.00010702658534
                3d
                   -2 :              -0.00002612863419
                   -1 :               0.00001462137355
                   +0 :               0.00000591079868
                   +1 :               0.00001188553936
                   +2 :              -0.00001743914740
              7 vec=     7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002875237796
                2s
                   +0 :              -0.00038670651156
                3s
                   +0 :               0.00000714963587
                2p
                   -1 :              -0.00034794920663
                   +0 :               0.00010995254516
                   +1 :              -0.00025370234120
                3p
                   -1 :               0.00006671315029
                   +0 :               0.00020525233413
                   +1 :              -0.00002899248337
                3d
                   -2 :              -0.00001716214027
                   -1 :               0.00001312228065
                   +0 :              -0.00002272250624
                   +1 :               0.00000716006872
                   +2 :               0.00001593917140
              8 vec=     7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00003814737894
                2s
                   +0 :               0.00046504555492
                3s
                   +0 :              -0.00009958835186
                2p
                   -1 :               0.00022185310154
                   +0 :               0.00018371833358
                   +1 :               0.00018243658515
                3p
                   -1 :              -0.00000390897740
                   +0 :              -0.00008418327002
                   +1 :              -0.00007151731996
                3d
                   -2 :               0.00000313205032
                   -1 :               0.00001293359454
                   +0 :              -0.00001229460929
                   +1 :               0.00000500042265
                   +2 :              -0.00001074316708
              9 vec=    -7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000103168633
                2s
                   +0 :              -0.00005939966362
                3s
                   +0 :              -0.00000613786824
                2p
                   -1 :              -0.00005086240522
                   +0 :              -0.00005961258201
                   +1 :               0.00023324361790
                3p
                   -1 :               0.00008237380670
                   +0 :               0.00007832959584
                   +1 :              -0.00014914976766
                3d
                   -2 :              -0.00000177123597
                   -1 :              -0.00000621738771
                   +0 :              -0.00000610182943
                   +1 :               0.00001576871073
                   +2 :               0.00001229538378
             10 vec=    -7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003862734456
                2s
                   +0 :              -0.00035159345255
                3s
                   +0 :               0.00004070231520
                2p
                   -1 :               0.00001647248248
                   +0 :              -0.00044833497200
                   +1 :               0.00001096944687
                3p
                   -1 :               0.00001731389540
                   +0 :               0.00006670697717
                   +1 :              -0.00004470213149
                3d
                   -2 :              -0.00000061903555
                   -1 :               0.00002174481637
                   +0 :              -0.00004365498581
                   +1 :               0.00002262150640
                   +2 :               0.00000372556493
             11 vec=     7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002256358358
                2s
                   +0 :              -0.00018404668149
                3s
                   +0 :               0.00005956473645
                2p
                   -1 :               0.00011329257871
                   +0 :               0.00008551425708
                   +1 :              -0.00013495443597
                3p
                   -1 :              -0.00003785096046
                   +0 :              -0.00002489793609
                   +1 :               0.00005891697205
                3d
                   -2 :               0.00000070680583
                   -1 :              -0.00000110751854
                   +0 :              -0.00001471598445
                   +1 :              -0.00000594479212
                   +2 :              -0.00000027307476
             12 vec=     7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000109221051
                2s
                   +0 :               0.00005534295408
                3s
                   +0 :               0.00000560763075
                2p
                   -1 :              -0.00009894518918
                   +0 :              -0.00000186179753
                   +1 :              -0.00001636198984
                3p
                   -1 :               0.00001660884295
                   +0 :               0.00007149624406
                   +1 :               0.00004701189953
                3d
                   -2 :              -0.00000993298272
                   -1 :               0.00000423379284
                   +0 :               0.00001309372454
                   +1 :               0.00000363552337
                   +2 :              -0.00000459735946
             13 vec=     0.000000    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000509750437
                2s
                   +0 :              -0.00008612323454
                3s
                   +0 :               0.00001093091073
                2p
                   -1 :               0.00016093668301
                   +0 :               0.00002835190695
                   +1 :              -0.00002597012080
                3p
                   -1 :              -0.00007580386754
                   +0 :              -0.00002443171901
                   +1 :               0.00001903346087
                3d
                   -2 :               0.00000874899289
                   -1 :               0.00000882474830
                   +0 :              -0.00000081344535
                   +1 :              -0.00000297183727
                   +2 :              -0.00000030163302
             14 vec=     0.000000    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001481272802
                2s
                   +0 :               0.00019762389245
                3s
                   +0 :              -0.00003217985221
                2p
                   -1 :              -0.00015864170720
                   +0 :              -0.00002017731749
                   +1 :              -0.00002406434004
                3p
                   -1 :               0.00001884048872
                   +0 :               0.00000080371075
                   +1 :               0.00002973708042
                3d
                   -2 :              -0.00000979431987
                   -1 :               0.00000106827352
                   +0 :              -0.00000778269793
                   +1 :               0.00000662754916
                   +2 :              -0.00000856799464
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 15)  npairs=  14
              1 vec=     2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005138801614
                2s
                   +0 :              -0.00021207761047
                3s
                   +0 :              -0.00017267468485
                2p
                   -1 :               0.00076784574650
                   +0 :               0.00015340316473
                   +1 :               0.00028855213360
                3p
                   -1 :              -0.00047099481425
                   +0 :              -0.00008495185647
                   +1 :              -0.00009209083570
                3d
                   -2 :              -0.00000771665492
                   -1 :               0.00000153479140
                   +0 :               0.00002551597276
                   +1 :              -0.00000404945010
                   +2 :               0.00005134321354
              2 vec=     2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005107437224
                2s
                   +0 :               0.00007354071202
                3s
                   +0 :               0.00028963687950
                2p
                   -1 :              -0.00012756318127
                   +0 :              -0.00053940464173
                   +1 :              -0.00058481356239
                3p
                   -1 :               0.00014162779597
                   +0 :               0.00054584355339
                   +1 :               0.00055285565602
                3d
                   -2 :              -0.00000143321149
                   -1 :               0.00003559879039
                   +0 :              -0.00000075581771
                   +1 :               0.00002181262927
                   +2 :              -0.00000464541929
              3 vec=    -5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011310567663
                2s
                   +0 :              -0.00142879227262
                3s
                   +0 :               0.00011187043363
                2p
                   -1 :               0.00025839427443
                   +0 :               0.00120835647869
                   +1 :               0.00079885900442
                3p
                   -1 :              -0.00013939055012
                   +0 :              -0.00001993595634
                   +1 :              -0.00040070526071
                3d
                   -2 :               0.00002958429699
                   -1 :               0.00001615325356
                   +0 :              -0.00007664525200
                   +1 :              -0.00001891390652
                   +2 :              -0.00001803750243
              4 vec=    -5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00013607119614
                2s
                   +0 :               0.00162267250503
                3s
                   +0 :              -0.00019574717281
                2p
                   -1 :              -0.00003987790470
                   +0 :               0.00087408774895
                   +1 :              -0.00013074545100
                3p
                   -1 :               0.00010584726672
                   +0 :              -0.00006379943753
                   +1 :              -0.00012498550383
                3d
                   -2 :              -0.00002332340372
                   -1 :               0.00003461159280
                   +0 :               0.00001586454799
                   +1 :              -0.00003709112545
                   +2 :               0.00000770532371
              5 vec=    -5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00006869926512
                2s
                   +0 :              -0.00078900404641
                3s
                   +0 :               0.00013263975498
                2p
                   -1 :               0.00012332703757
                   +0 :               0.00042606342489
                   +1 :               0.00057040944673
                3p
                   -1 :              -0.00006872959133
                   +0 :              -0.00013541294486
                   +1 :              -0.00013661920480
                3d
                   -2 :               0.00000252300602
                   -1 :               0.00000019057599
                   +0 :              -0.00000160332267
                   +1 :              -0.00001697036770
                   +2 :              -0.00000854713709
              6 vec=    -5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004605727952
                2s
                   +0 :               0.00037722371042
                3s
                   +0 :              -0.00007264370751
                2p
                   -1 :               0.00007529044665
                   +0 :               0.00016743175292
                   +1 :               0.00006099957380
                3p
                   -1 :              -0.00010458643718
                   +0 :              -0.00001721270437
                   +1 :              -0.00023717485154
                3d
                   -2 :               0.00000066563937
                   -1 :              -0.00002802684876
                   +0 :               0.00000120306812
                   +1 :              -0.00002824281394
                   +2 :               0.00004172481790
              7 vec=     2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002727460722
                2s
                   +0 :              -0.00035740924169
                3s
                   +0 :               0.00011086636918
                2p
                   -1 :               0.00022738209981
                   +0 :               0.00034948443781
                   +1 :               0.00014082635265
                3p
                   -1 :               0.00002367453572
                   +0 :              -0.00020735676778
                   +1 :               0.00003379838809
                3d
                   -2 :              -0.00000673900755
                   -1 :              -0.00001840745559
                   +0 :               0.00002264517169
                   +1 :              -0.00001456102510
                   +2 :              -0.00000165930408
              8 vec=     2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00007290521981
                2s
                   +0 :               0.00076869345736
                3s
                   +0 :              -0.00009646399767
                2p
                   -1 :              -0.00026837983368
                   +0 :               0.00005165524351
                   +1 :              -0.00010597882090
                3p
                   -1 :              -0.00000985012843
                   +0 :               0.00020198148165
                   +1 :               0.00006696306444
                3d
                   -2 :               0.00001396718629
                   -1 :              -0.00002265199316
                   +0 :               0.00001880648107
                   +1 :              -0.00001619813193
                   +2 :              -0.00000559740713
              9 vec=     2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000074905450
                2s
                   +0 :              -0.00005588268249
                3s
                   +0 :              -0.00000822986059
                2p
                   -1 :              -0.00013484511619
                   +0 :               0.00006508429377
                   +1 :               0.00002621981574
                3p
                   -1 :               0.00002708569498
                   +0 :              -0.00004247381718
                   +1 :              -0.00002328981122
                3d
                   -2 :              -0.00000112102878
                   -1 :              -0.00000771101035
                   +0 :               0.00000245249648
                   +1 :               0.00000475840701
                   +2 :               0.00000188762879
             10 vec=     2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00005612941392
                2s
                   +0 :              -0.00042751309163
                3s
                   +0 :               0.00014182459659
                2p
                   -1 :              -0.00001400269599
                   +0 :              -0.00043994931671
                   +1 :               0.00013686594169
                3p
                   -1 :              -0.00000113078105
                   +0 :               0.00015869246513
                   +1 :              -0.00000803693860
                3d
                   -2 :               0.00000555892936
                   -1 :              -0.00001055378035
                   +0 :              -0.00001561561958
                   +1 :               0.00000899259272
                   +2 :               0.00000331003880
             11 vec=    10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000690631493
                2s
                   +0 :              -0.00005322783094
                3s
                   +0 :              -0.00000350611813
                2p
                   -1 :              -0.00014080449441
                   +0 :              -0.00005963009216
                   +1 :              -0.00007985412588
                3p
                   -1 :               0.00011634385069
                   +0 :               0.00009914697307
                   +1 :              -0.00000419039678
                3d
                   -2 :              -0.00000865054434
                   -1 :               0.00000045214489
                   +0 :              -0.00002207609755
                   +1 :               0.00000701081970
                   +2 :              -0.00001362927153
             12 vec=    10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000794745725
                2s
                   +0 :               0.00013352201165
                3s
                   +0 :              -0.00002802734831
                2p
                   -1 :              -0.00002537161163
                   +0 :               0.00014145825496
                   +1 :               0.00012436693570
                3p
                   -1 :               0.00002593937634
                   +0 :              -0.00005522076504
                   +1 :              -0.00005385313892
                3d
                   -2 :              -0.00000543701308
                   -1 :               0.00000178211894
                   +0 :               0.00000165987637
                   +1 :               0.00000266605508
                   +2 :              -0.00000057762317
             13 vec=    10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000167880122
                2s
                   +0 :              -0.00004299897007
                3s
                   +0 :              -0.00004000460286
                2p
                   -1 :               0.00004521496669
                   +0 :              -0.00009864524308
                   +1 :              -0.00007996149091
                3p
                   -1 :              -0.00006241629639
                   +0 :               0.00006632470935
                   +1 :              -0.00003991812300
                3d
                   -2 :              -0.00000827666834
                   -1 :               0.00000488623697
                   +0 :              -0.00000378218070
                   +1 :               0.00000848592148
                   +2 :              -0.00000476873465
             14 vec=    10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001420622102
                2s
                   +0 :               0.00015978566879
                3s
                   +0 :              -0.00005470743582
                2p
                   -1 :               0.00012763200958
                   +0 :              -0.00000790099866
                   +1 :               0.00007537925565
                3p
                   -1 :              -0.00007908400383
                   +0 :              -0.00001978321550
                   +1 :              -0.00000448350097
                3d
                   -2 :               0.00000258413440
                   -1 :              -0.00001407529162
                   +0 :              -0.00000834079322
                   +1 :              -0.00000529538063
                   +2 :               0.00000888782198
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 16)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00005407150273
                2s
                   +0 :              -0.00084063172066
                3s
                   +0 :               0.00008369490666
                2p
                   -1 :               0.02893445033647
                   +0 :               0.87413062801941
                   +1 :               0.01688431661170
                3p
                   -1 :              -0.01199627330846
                   +0 :              -0.03993700332811
                   +1 :              -0.00703551887569
                3d
                   -2 :               0.00111111168986
                   -1 :              -0.00220041189185
                   +0 :              -0.00005560507918
                   +1 :               0.00379489151258
                   +2 :               0.00194232240116
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027845956863
                2s
                   +0 :              -0.00201196265157
                3s
                   +0 :               0.00120150615635
                2p
                   -1 :               0.00081191940343
                   +0 :               0.00072038367312
                   +1 :               0.00190856414661
                3p
                   -1 :              -0.00102369483877
                   +0 :              -0.00054050536233
                   +1 :              -0.00167813501525
                3d
                   -2 :               0.00018820110220
                   -1 :               0.00000615234736
                   +0 :              -0.00001826016580
                   +1 :               0.00016141933414
                   +2 :               0.00010830793679
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000349307767
                2s
                   +0 :               0.00002407586169
                3s
                   +0 :              -0.00001432057018
                2p
                   -1 :              -0.00005574727896
                   +0 :               0.00069109469443
                   +1 :              -0.00004171089164
                3p
                   -1 :              -0.00010065672925
                   +0 :              -0.00032478220203
                   +1 :              -0.00003880481100
                3d
                   -2 :               0.00001877402449
                   -1 :               0.00001629342653
                   +0 :               0.00000057840450
                   +1 :              -0.00003066539784
                   +2 :               0.00003020795357
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00005001350351
                2s
                   +0 :               0.00005463933029
                3s
                   +0 :              -0.00023012774200
                2p
                   -1 :              -0.00082461243014
                   +0 :              -0.00016319231305
                   +1 :              -0.00024396712331
                3p
                   -1 :               0.00087355879219
                   +0 :               0.00033510692919
                   +1 :               0.00025186226059
                3d
                   -2 :              -0.00005876640869
                   -1 :              -0.00010868875414
                   +0 :              -0.00000800710109
                   +1 :              -0.00004916143372
                   +2 :              -0.00005690484377
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027722237110
                2s
                   +0 :               0.00200349423711
                3s
                   +0 :              -0.00119908202443
                2p
                   -1 :               0.00200219916035
                   +0 :               0.00074531026289
                   +1 :              -0.00023344638229
                3p
                   -1 :              -0.00194419671865
                   +0 :              -0.00055932545216
                   +1 :              -0.00005338954000
                3d
                   -2 :              -0.00000077030993
                   -1 :              -0.00014420932127
                   +0 :               0.00001548699746
                   +1 :               0.00007494448161
                   +2 :               0.00021832347287
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000527679068
                2s
                   +0 :              -0.00004705673665
                3s
                   +0 :               0.00001189245282
                2p
                   -1 :               0.00147242483329
                   +0 :              -0.00030302219147
                   +1 :               0.00083727370813
                3p
                   -1 :              -0.00158236175228
                   +0 :               0.00071211784702
                   +1 :              -0.00092121788423
                3d
                   -2 :              -0.00003029077455
                   -1 :              -0.00009656510544
                   +0 :               0.00000163522270
                   +1 :               0.00016549248892
                   +2 :              -0.00005475496707
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00004970320497
                2s
                   +0 :              -0.00005310434002
                3s
                   +0 :               0.00022531684856
                2p
                   -1 :              -0.00063154853212
                   +0 :              -0.00018832464103
                   +1 :              -0.00060088588396
                3p
                   -1 :               0.00065466493183
                   +0 :               0.00035331360528
                   +1 :               0.00062718438430
                3d
                   -2 :              -0.00001932289735
                   -1 :               0.00009732934725
                   +0 :               0.00000740888074
                   +1 :               0.00006957474463
                   +2 :              -0.00007926319817
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003192061251
                2s
                   +0 :              -0.00020434863502
                3s
                   +0 :               0.00007265450443
                2p
                   -1 :              -0.00003214468709
                   +0 :               0.00009977676985
                   +1 :               0.00002382815831
                3p
                   -1 :               0.00002086354089
                   +0 :              -0.00011146306319
                   +1 :               0.00003879702022
                3d
                   -2 :              -0.00000120495305
                   -1 :              -0.00000219349209
                   +0 :               0.00001162619975
                   +1 :               0.00000908811651
                   +2 :              -0.00000630097845
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002318505908
                2s
                   +0 :              -0.00020999451380
                3s
                   +0 :               0.00002286647787
                2p
                   -1 :               0.00002479624622
                   +0 :              -0.00011366119892
                   +1 :              -0.00003866924835
                3p
                   -1 :               0.00011690650953
                   +0 :               0.00003163187925
                   +1 :               0.00008896831637
                3d
                   -2 :              -0.00002686811003
                   -1 :              -0.00000425964002
                   +0 :               0.00001395522287
                   +1 :               0.00000218662581
                   +2 :               0.00001155297682
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003178324421
                2s
                   +0 :               0.00020926649541
                3s
                   +0 :              -0.00006880758800
                2p
                   -1 :              -0.00000046597007
                   +0 :               0.00010440148101
                   +1 :              -0.00004093202406
                3p
                   -1 :               0.00004766616795
                   +0 :              -0.00011478234626
                   +1 :              -0.00000184992437
                3d
                   -2 :              -0.00000445752012
                   -1 :              -0.00000677411770
                   +0 :              -0.00001105973877
                   +1 :               0.00000667365599
                   +2 :              -0.00000435246438
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001381121092
                2s
                   +0 :              -0.00013160669619
                3s
                   +0 :               0.00001656003308
                2p
                   -1 :              -0.00014247342881
                   +0 :               0.00002156972533
                   +1 :               0.00010959770468
                3p
                   -1 :               0.00019921800015
                   +0 :              -0.00003108080816
                   +1 :              -0.00015522140962
                3d
                   -2 :               0.00001409722546
                   -1 :              -0.00001117909061
                   +0 :               0.00001344946763
                   +1 :              -0.00000748683477
                   +2 :               0.00001079116219
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002321316938
                2s
                   +0 :               0.00021302469508
                3s
                   +0 :              -0.00002186539859
                2p
                   -1 :              -0.00002548716727
                   +0 :              -0.00011425369160
                   +1 :               0.00004151546974
                3p
                   -1 :               0.00013495526160
                   +0 :               0.00003241838376
                   +1 :               0.00005293345657
                3d
                   -2 :               0.00002218564566
                   -1 :               0.00000043273252
                   +0 :              -0.00001468313551
                   +1 :               0.00000465001934
                   +2 :              -0.00001769998887
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001342361365
                2s
                   +0 :               0.00012734778276
                3s
                   +0 :              -0.00001464320249
                2p
                   -1 :               0.00002394506419
                   +0 :               0.00002058570381
                   +1 :              -0.00018172551636
                3p
                   -1 :              -0.00003352644324
                   +0 :              -0.00003067053449
                   +1 :               0.00024756900429
                3d
                   -2 :               0.00000236310322
                   -1 :               0.00001234791700
                   +0 :              -0.00001307862628
                   +1 :               0.00000551189698
                   +2 :               0.00001763356309
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000015400405
                2s
                   +0 :              -0.00001364503550
                3s
                   +0 :              -0.00000027965826
                2p
                   -1 :              -0.00000600081999
                   +0 :              -0.00002257673796
                   +1 :              -0.00001164140200
                3p
                   -1 :               0.00000703365087
                   +0 :               0.00000723484242
                   +1 :               0.00002093759164
                3d
                   -2 :              -0.00000351140868
                   -1 :               0.00000067188473
                   +0 :              -0.00000048589684
                   +1 :              -0.00000075621891
                   +2 :              -0.00000183256438
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000048682874
                2s
                   +0 :               0.00000544896270
                3s
                   +0 :              -0.00000072240570
                2p
                   -1 :               0.00002521460700
                   +0 :               0.00004786827529
                   +1 :               0.00001428979623
                3p
                   -1 :              -0.00001379077582
                   +0 :              -0.00004993007747
                   +1 :              -0.00000942860367
                3d
                   -2 :               0.00000065762041
                   -1 :              -0.00000297690217
                   +0 :               0.00000011976793
                   +1 :               0.00000544307127
                   +2 :               0.00000088569297
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000317353642
                2s
                   +0 :               0.00000472484186
                3s
                   +0 :              -0.00001287017673
                2p
                   -1 :               0.00001933263136
                   +0 :              -0.00000882457039
                   +1 :               0.00001450494221
                3p
                   -1 :              -0.00000187490126
                   +0 :              -0.00000417740231
                   +1 :              -0.00001580729429
                3d
                   -2 :               0.00000115390165
                   -1 :               0.00000157072446
                   +0 :               0.00000336911449
                   +1 :               0.00000230991628
                   +2 :               0.00000260656778
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000118964169
                2s
                   +0 :               0.00002771010839
                3s
                   +0 :              -0.00000009117527
                2p
                   -1 :              -0.00001079439123
                   +0 :              -0.00002225673843
                   +1 :               0.00000470123487
                3p
                   -1 :               0.00002365755005
                   +0 :               0.00000776144250
                   +1 :              -0.00000610661039
                3d
                   -2 :               0.00000036203321
                   -1 :               0.00000052837796
                   +0 :               0.00000070173314
                   +1 :              -0.00000111695909
                   +2 :              -0.00000418755539
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000012137448
                2s
                   +0 :               0.00000021390272
                3s
                   +0 :              -0.00000089152241
                2p
                   -1 :              -0.00000104939872
                   +0 :               0.00000030623548
                   +1 :              -0.00000260714980
                3p
                   -1 :               0.00000489068839
                   +0 :              -0.00001092538060
                   +1 :               0.00000268575074
                3d
                   -2 :               0.00000218527056
                   -1 :               0.00000026109517
                   +0 :              -0.00000008504567
                   +1 :              -0.00000021467525
                   +2 :               0.00000359384467
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000189020769
                2s
                   +0 :               0.00000847164703
                3s
                   +0 :               0.00001025521074
                2p
                   -1 :               0.00002488443505
                   +0 :              -0.00001412131087
                   +1 :               0.00000886292195
                3p
                   -1 :              -0.00001726466057
                   +0 :              -0.00000086103367
                   +1 :               0.00000771110292
                3d
                   -2 :               0.00000168570152
                   -1 :              -0.00000259681900
                   +0 :              -0.00000348968778
                   +1 :              -0.00000040213432
                   +2 :               0.00000240948340
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 17)  npairs=  12
              1 vec=     4.767684      0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00029478039864
                2s
                   +0 :               0.00327266786868
                3s
                   +0 :              -0.00047828088723
                2p
                   -1 :              -0.00120501540725
                   +0 :              -0.01058906631451
                   +1 :              -0.00168925489883
                3p
                   -1 :               0.00118477724869
                   +0 :              -0.00342600090110
                   +1 :               0.00312778753883
                3d
                   -2 :               0.00000460151999
                   -1 :              -0.00014427832178
                   +0 :               0.00005991751157
                   +1 :              -0.00205155119030
                   +2 :               0.00038503968655
              2 vec=    -3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00183143528028
                2s
                   +0 :              -0.01191413383907
                3s
                   +0 :               0.00522129450028
                2p
                   -1 :               0.00697131704690
                   +0 :              -0.00053186364319
                   +1 :               0.00392439139665
                3p
                   -1 :              -0.00391028859044
                   +0 :              -0.00344686003449
                   +1 :              -0.00214927048542
                3d
                   -2 :              -0.00002662946451
                   -1 :               0.00064827782203
                   +0 :              -0.00026343498817
                   +1 :               0.00011883097757
                   +2 :              -0.00031919122610
              3 vec=    -3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00152039731241
                2s
                   +0 :               0.00849093510369
                3s
                   +0 :              -0.00414392535776
                2p
                   -1 :               0.00398677173902
                   +0 :              -0.00634605075745
                   +1 :              -0.00768923827214
                3p
                   -1 :              -0.00273087068737
                   +0 :               0.00158388572181
                   +1 :               0.00579208805931
                3d
                   -2 :               0.00037656224717
                   -1 :              -0.00055851929087
                   +0 :               0.00044412486616
                   +1 :               0.00075023998637
                   +2 :              -0.00010430623829
              4 vec=     4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00001236752025
                2s
                   +0 :              -0.00033949893672
                3s
                   +0 :              -0.00007796581603
                2p
                   -1 :               0.00051834284498
                   +0 :              -0.00042057821026
                   +1 :              -0.00131615863515
                3p
                   -1 :              -0.00010672646039
                   +0 :              -0.00004254564377
                   +1 :               0.00096296849930
                3d
                   -2 :              -0.00008259142278
                   -1 :               0.00001837663626
                   +0 :               0.00003327708170
                   +1 :              -0.00001216945179
                   +2 :               0.00003026646602
              5 vec=     4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00002491643833
                2s
                   +0 :               0.00061228270426
                3s
                   +0 :               0.00018098131637
                2p
                   -1 :               0.00119386216530
                   +0 :               0.00019076437874
                   +1 :               0.00078633880575
                3p
                   -1 :              -0.00049813389660
                   +0 :              -0.00055116179735
                   +1 :              -0.00039611518906
                3d
                   -2 :              -0.00003732848111
                   -1 :              -0.00011480138495
                   +0 :               0.00011140332449
                   +1 :              -0.00000990759927
                   +2 :              -0.00005723333323
              6 vec=   -10.792642     -0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00018484561981
                2s
                   +0 :               0.00086440096113
                3s
                   +0 :              -0.00054333390177
                2p
                   -1 :              -0.00000483101323
                   +0 :               0.00020300675080
                   +1 :              -0.00081983697169
                3p
                   -1 :              -0.00003256856753
                   +0 :              -0.00049584123390
                   +1 :               0.00085443912475
                3d
                   -2 :              -0.00003268004945
                   -1 :               0.00001936850282
                   +0 :               0.00001915965775
                   +1 :               0.00004160517470
                   +2 :              -0.00006765240681
              7 vec=    12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00002007497662
                2s
                   +0 :               0.00011046078370
                3s
                   +0 :              -0.00007384547939
                2p
                   -1 :              -0.00016486546079
                   +0 :              -0.00039387339325
                   +1 :              -0.00032325141146
                3p
                   -1 :               0.00010685707393
                   +0 :               0.00026455598897
                   +1 :               0.00021290337381
                3d
                   -2 :               0.00000524097641
                   -1 :               0.00001466151984
                   +0 :               0.00001241958001
                   +1 :               0.00000000425195
                   +2 :              -0.00000727915736
              8 vec=    12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00006378585088
                2s
                   +0 :               0.00043889685936
                3s
                   +0 :              -0.00019593710125
                2p
                   -1 :               0.00031405492171
                   +0 :              -0.00015149733752
                   +1 :               0.00036569485939
                3p
                   -1 :              -0.00022313737597
                   +0 :               0.00004552989434
                   +1 :              -0.00026297372060
                3d
                   -2 :              -0.00002065215875
                   -1 :               0.00000227283143
                   +0 :              -0.00001511881450
                   +1 :               0.00000900786272
                   +2 :              -0.00000390737037
              9 vec=    -3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00005307758048
                2s
                   +0 :              -0.00033411580748
                3s
                   +0 :               0.00013158514637
                2p
                   -1 :               0.00035785547690
                   +0 :               0.00014449132134
                   +1 :               0.00000678970215
                3p
                   -1 :              -0.00023059980489
                   +0 :              -0.00016415154297
                   +1 :              -0.00001143403518
                3d
                   -2 :               0.00001080218504
                   -1 :               0.00000129110479
                   +0 :              -0.00000433930810
                   +1 :               0.00000412584896
                   +2 :               0.00000364137515
             10 vec=    -3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00001446440112
                2s
                   +0 :               0.00012011414837
                3s
                   +0 :              -0.00002960194206
                2p
                   -1 :               0.00007423047292
                   +0 :               0.00012889294071
                   +1 :               0.00017643388031
                3p
                   -1 :              -0.00003172726380
                   +0 :              -0.00013051095511
                   +1 :              -0.00016418077168
                3d
                   -2 :              -0.00001512295327
                   -1 :               0.00000226301728
                   +0 :              -0.00001882197385
                   +1 :               0.00001160902940
                   +2 :               0.00000763229175
             11 vec=   -10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00002403149286
                2s
                   +0 :               0.00014347120924
                3s
                   +0 :              -0.00011731053082
                2p
                   -1 :              -0.00033975254254
                   +0 :              -0.00007053532749
                   +1 :               0.00000579037400
                3p
                   -1 :               0.00026277382456
                   +0 :               0.00003587940522
                   +1 :               0.00004177503139
                3d
                   -2 :              -0.00000968516463
                   -1 :               0.00001108204992
                   +0 :               0.00002344187561
                   +1 :              -0.00000938245534
                   +2 :               0.00000583600575
             12 vec=   -10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00001004890606
                2s
                   +0 :               0.00002593861007
                3s
                   +0 :              -0.00001208153530
                2p
                   -1 :              -0.00001539179314
                   +0 :               0.00005586407757
                   +1 :              -0.00003156043135
                3p
                   -1 :              -0.00001144029010
                   +0 :              -0.00009085538462
                   +1 :               0.00003408553963
                3d
                   -2 :              -0.00000727377176
                   -1 :               0.00000632360010
                   +0 :              -0.00000501638378
                   +1 :               0.00000563789608
                   +2 :               0.00000410416181
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 18)  npairs=  12
              1 vec=     2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00030657203516
                2s
                   +0 :              -0.00347584148830
                3s
                   +0 :               0.00046982005948
                2p
                   -1 :              -0.00193656394435
                   +0 :              -0.01065011429389
                   +1 :              -0.00033837889257
                3p
                   -1 :               0.00328216189175
                   +0 :              -0.00337408324105
                   +1 :              -0.00047961290208
                3d
                   -2 :               0.00033175918261
                   -1 :               0.00184598263432
                   +0 :              -0.00006667736527
                   +1 :              -0.00089676567224
                   +2 :               0.00018882609570
              2 vec=    -5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00151391167551
                2s
                   +0 :              -0.00850597283054
                3s
                   +0 :               0.00409423377359
                2p
                   -1 :              -0.00471979822738
                   +0 :              -0.00634368393565
                   +1 :               0.00735959010831
                3p
                   -1 :               0.00369871492844
                   +0 :               0.00158218326386
                   +1 :              -0.00524708677405
                3d
                   -2 :              -0.00028106006517
                   -1 :              -0.00036833384502
                   +0 :              -0.00044682461258
                   +1 :               0.00085898317680
                   +2 :               0.00027109855932
              3 vec=     2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00181034838765
                2s
                   +0 :               0.01171365364837
                3s
                   +0 :              -0.00517999677337
                2p
                   -1 :               0.00679800277655
                   +0 :              -0.00055992358008
                   +1 :               0.00404156578469
                3p
                   -1 :              -0.00382943183409
                   +0 :              -0.00342229678137
                   +1 :              -0.00230115477271
                3d
                   -2 :              -0.00026237415815
                   -1 :              -0.00042640040697
                   +0 :               0.00026053124026
                   +1 :              -0.00050050122830
                   +2 :              -0.00018189006162
              4 vec=    -5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00002232384939
                2s
                   +0 :              -0.00064062472534
                3s
                   +0 :              -0.00017553328611
                2p
                   -1 :               0.00134371795568
                   +0 :               0.00019851260085
                   +1 :               0.00067733908972
                3p
                   -1 :              -0.00062320263051
                   +0 :              -0.00055737945302
                   +1 :              -0.00024400064902
                3d
                   -2 :              -0.00003127453876
                   -1 :               0.00006553690590
                   +0 :              -0.00011322501357
                   +1 :               0.00009429165315
                   +2 :              -0.00006307773124
              5 vec=    10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00001639967088
                2s
                   +0 :               0.00029511529477
                3s
                   +0 :               0.00008247397667
                2p
                   -1 :              -0.00090229418393
                   +0 :              -0.00042924879637
                   +1 :               0.00109027149920
                3p
                   -1 :               0.00079412679590
                   +0 :              -0.00003745200038
                   +1 :              -0.00058366869924
                3d
                   -2 :               0.00006738884895
                   -1 :               0.00000104338370
                   +0 :              -0.00003310651163
                   +1 :              -0.00002031213549
                   +2 :              -0.00005939410638
              6 vec=    -5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00018079838759
                2s
                   +0 :              -0.00082698838737
                3s
                   +0 :               0.00053837479893
                2p
                   -1 :              -0.00072753708733
                   +0 :               0.00018726067974
                   +1 :               0.00038883067864
                3p
                   -1 :               0.00071451394762
                   +0 :              -0.00048161336488
                   +1 :              -0.00044455416464
                3d
                   -2 :              -0.00004117002038
                   -1 :              -0.00004615583306
                   +0 :              -0.00001820224973
                   +1 :               0.00000387560105
                   +2 :              -0.00006054286425
              7 vec=     2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00006375480805
                2s
                   +0 :              -0.00044230732246
                3s
                   +0 :               0.00019441064715
                2p
                   -1 :               0.00048502538738
                   +0 :              -0.00015525179657
                   +1 :               0.00008325669387
                3p
                   -1 :              -0.00034086648758
                   +0 :               0.00004868353879
                   +1 :              -0.00005445185787
                3d
                   -2 :               0.00000678220654
                   -1 :              -0.00000882873902
                   +0 :               0.00001517383921
                   +1 :               0.00000232791380
                   +2 :              -0.00001989564697
              8 vec=    10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00002414820962
                2s
                   +0 :              -0.00014771765192
                3s
                   +0 :               0.00008731131433
                2p
                   -1 :              -0.00033073452536
                   +0 :              -0.00040439082550
                   +1 :               0.00000521198948
                3p
                   -1 :               0.00022024426183
                   +0 :               0.00027407522767
                   +1 :              -0.00000856937904
                3d
                   -2 :              -0.00000814324450
                   -1 :              -0.00000807146238
                   +0 :              -0.00001134799413
                   +1 :              -0.00001224625195
                   +2 :               0.00000081017330
              9 vec=   -13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00001045722179
                2s
                   +0 :              -0.00008030731671
                3s
                   +0 :               0.00002326799516
                2p
                   -1 :               0.00018191167516
                   +0 :               0.00012098895080
                   +1 :              -0.00003231779566
                3p
                   -1 :              -0.00015598606628
                   +0 :              -0.00012739509906
                   +1 :               0.00005656690265
                3d
                   -2 :               0.00001528968241
                   -1 :              -0.00001066854489
                   +0 :               0.00001851457681
                   +1 :               0.00000418706049
                   +2 :              -0.00000916314075
             10 vec=    10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00005510668963
                2s
                   +0 :               0.00035967954701
                3s
                   +0 :              -0.00013244680371
                2p
                   -1 :               0.00018096620595
                   +0 :               0.00014765661607
                   +1 :               0.00031197493257
                3p
                   -1 :              -0.00012625081069
                   +0 :              -0.00016217966274
                   +1 :              -0.00019481143721
                3d
                   -2 :              -0.00000302400132
                   -1 :              -0.00000376783159
                   +0 :               0.00000535003213
                   +1 :               0.00000137228828
                   +2 :               0.00001100750330
             11 vec=   -13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00000747482263
                2s
                   +0 :               0.00000297562125
                3s
                   +0 :               0.00000694798269
                2p
                   -1 :              -0.00004890966490
                   +0 :               0.00005179895306
                   +1 :              -0.00000356427321
                3p
                   -1 :               0.00003300439792
                   +0 :              -0.00008978861456
                   +1 :              -0.00002557716352
                3d
                   -2 :               0.00000648364005
                   -1 :              -0.00000831518228
                   +0 :               0.00000415215473
                   +1 :              -0.00000221793430
                   +2 :              -0.00000406131690
             12 vec=     2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00002262676021
                2s
                   +0 :              -0.00012578897338
                3s
                   +0 :               0.00011553881761
                2p
                   -1 :              -0.00015446578037
                   +0 :              -0.00006845389459
                   +1 :              -0.00029703751425
                3p
                   -1 :               0.00015755389878
                   +0 :               0.00003653303533
                   +1 :               0.00020802529559
                3d
                   -2 :               0.00001010715451
                   -1 :               0.00000268966212
                   +0 :              -0.00002243298938
                   +1 :              -0.00001401678486
                   +2 :              -0.00000509091476
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 19)  npairs=  14
              1 vec=     2.174555      1.739106     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00268177325924
                2s
                   +0 :              -0.08156341793291
                3s
                   +0 :               0.00484053657862
                2p
                   -1 :              -0.02450696345338
                   +0 :               0.04387339063892
                   +1 :              -0.02777028801158
                3p
                   -1 :               0.00264084279754
                   +0 :              -0.00606413634787
                   +1 :               0.00384691190305
                3d
                   -2 :              -0.00215718220428
                   -1 :               0.00107892605060
                   +0 :              -0.00098291213292
                   +1 :               0.00125686908914
                   +2 :              -0.00027371641386
              2 vec=    -5.605607     -2.752773     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00041865920403
                2s
                   +0 :              -0.00313763023582
                3s
                   +0 :               0.00148313470154
                2p
                   -1 :               0.00324699992873
                   +0 :               0.00189827324031
                   +1 :               0.00184574291677
                3p
                   -1 :              -0.00228226647917
                   +0 :              -0.00076287263030
                   +1 :              -0.00044811189029
                3d
                   -2 :               0.00016493070797
                   -1 :               0.00011884989752
                   +0 :              -0.00039326073375
                   +1 :               0.00005333861014
                   +2 :               0.00015183714319
              3 vec=     2.174555     -7.244652     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00025650852766
                2s
                   +0 :              -0.00118676370308
                3s
                   +0 :               0.00086882403733
                2p
                   -1 :               0.00249154874930
                   +0 :              -0.00356719724716
                   +1 :              -0.00204292147469
                3p
                   -1 :              -0.00201399879056
                   +0 :               0.00061186286490
                   +1 :              -0.00011674988039
                3d
                   -2 :               0.00015159745396
                   -1 :               0.00027235511222
                   +0 :               0.00001223254560
                   +1 :              -0.00005265022209
                   +2 :              -0.00012991466087
              4 vec=    -5.605607      6.230985     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00024982936468
                2s
                   +0 :              -0.00176845885098
                3s
                   +0 :               0.00058408027697
                2p
                   -1 :              -0.00209672396989
                   +0 :               0.00038272653020
                   +1 :               0.00155213972335
                3p
                   -1 :               0.00041370954753
                   +0 :              -0.00122249122402
                   +1 :              -0.00091178381311
                3d
                   -2 :               0.00003737610814
                   -1 :              -0.00012712651535
                   +0 :               0.00001805879857
                   +1 :               0.00010393835770
                   +2 :               0.00005540222257
              5 vec=     9.954718     -2.752773     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00018244109831
                2s
                   +0 :               0.00079560267738
                3s
                   +0 :              -0.00041988214669
                2p
                   -1 :              -0.00063010849687
                   +0 :               0.00094110623529
                   +1 :              -0.00115623909085
                3p
                   -1 :               0.00054309002554
                   +0 :              -0.00101643315339
                   +1 :               0.00089834341285
                3d
                   -2 :              -0.00000274634716
                   -1 :              -0.00002385241963
                   +0 :              -0.00007990586745
                   +1 :              -0.00004799208351
                   +2 :               0.00012752690328
              6 vec=     2.174555     10.722864     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00003854045338
                2s
                   +0 :              -0.00020067827285
                3s
                   +0 :               0.00003905378908
                2p
                   -1 :              -0.00051247982613
                   +0 :               0.00010104754432
                   +1 :               0.00029309075181
                3p
                   -1 :               0.00054291120097
                   +0 :              -0.00017249685737
                   +1 :              -0.00020234038190
                3d
                   -2 :               0.00001715033066
                   -1 :               0.00003695992612
                   +0 :               0.00000509014113
                   +1 :               0.00000409817704
                   +2 :              -0.00001190138773
              7 vec=     9.954718      6.230985     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001382945031
                2s
                   +0 :              -0.00025077146879
                3s
                   +0 :               0.00003629119638
                2p
                   -1 :               0.00031577785787
                   +0 :               0.00009039724491
                   +1 :              -0.00044691879147
                3p
                   -1 :              -0.00009761449005
                   +0 :               0.00003649767200
                   +1 :               0.00027251777749
                3d
                   -2 :               0.00000868821568
                   -1 :              -0.00001161962156
                   +0 :              -0.00002094425786
                   +1 :              -0.00001239195921
                   +2 :              -0.00000863488532
              8 vec=    -5.605607    -11.736531     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00000454604738
                2s
                   +0 :              -0.00026505912955
                3s
                   +0 :              -0.00018337010233
                2p
                   -1 :              -0.00001662970005
                   +0 :               0.00004181219298
                   +1 :               0.00033116691214
                3p
                   -1 :               0.00043174739700
                   +0 :               0.00007207887849
                   +1 :               0.00000132962579
                3d
                   -2 :              -0.00004414205977
                   -1 :              -0.00002858478700
                   +0 :               0.00001117627027
                   +1 :              -0.00000786500322
                   +2 :               0.00003865146557
              9 vec=   -13.385770      1.739106     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00000301177885
                2s
                   +0 :              -0.00008398223605
                3s
                   +0 :              -0.00006699684424
                2p
                   -1 :               0.00011896124874
                   +0 :              -0.00004531136039
                   +1 :              -0.00001340910951
                3p
                   -1 :              -0.00010591819276
                   +0 :               0.00003624375839
                   +1 :               0.00019554102594
                3d
                   -2 :               0.00000871751547
                   -1 :              -0.00001502315263
                   +0 :               0.00002840264293
                   +1 :              -0.00001067457367
                   +2 :              -0.00002226895713
             10 vec=   -13.385770     -7.244652     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000543960836
                2s
                   +0 :              -0.00002482443337
                3s
                   +0 :              -0.00001292051650
                2p
                   -1 :               0.00007719894238
                   +0 :               0.00002203327034
                   +1 :              -0.00001340477477
                3p
                   -1 :              -0.00005109611866
                   +0 :              -0.00001640783431
                   +1 :               0.00008356440862
                3d
                   -2 :               0.00000381426832
                   -1 :               0.00000032448410
                   +0 :              -0.00000238169194
                   +1 :               0.00000344919672
                   +2 :              -0.00000363885845
             11 vec=     9.954718    -11.736531     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00006006770779
                2s
                   +0 :              -0.00038097062708
                3s
                   +0 :               0.00016526362761
                2p
                   -1 :               0.00008975165629
                   +0 :               0.00016549494501
                   +1 :              -0.00008678417694
                3p
                   -1 :              -0.00004302509379
                   +0 :              -0.00016425848974
                   +1 :               0.00002481382216
                3d
                   -2 :              -0.00000352151851
                   -1 :               0.00002175990277
                   +0 :               0.00001057283032
                   +1 :              -0.00001429321011
                   +2 :              -0.00000671371298
             12 vec=    -5.605607     15.214743     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00002439986614
                2s
                   +0 :               0.00015695944071
                3s
                   +0 :              -0.00008331917073
                2p
                   -1 :               0.00001882336003
                   +0 :              -0.00006653599956
                   +1 :              -0.00004180734588
                3p
                   -1 :              -0.00002439673573
                   +0 :               0.00003907798033
                   +1 :               0.00001194962807
                3d
                   -2 :               0.00000333705564
                   -1 :               0.00000211182476
                   +0 :               0.00000177302376
                   +1 :               0.00000203753502
                   +2 :              -0.00000168796261
             13 vec=     2.174555    -16.228410     -4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00001031006825
                2s
                   +0 :              -0.00008466001287
                3s
                   +0 :               0.00002081391903
                2p
                   -1 :               0.00002223512498
                   +0 :              -0.00007024442117
                   +1 :              -0.00004964578519
                3p
                   -1 :               0.00002279742798
                   +0 :               0.00005042697864
                   +1 :               0.00004438638017
                3d
                   -2 :              -0.00000134271791
                   -1 :              -0.00000816142238
                   +0 :              -0.00000002315382
                   +1 :               0.00000554481707
                   +2 :               0.00000973192663
             14 vec=   -13.385770     10.722864     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000359541195
                2s
                   +0 :              -0.00003335790839
                3s
                   +0 :               0.00000663396970
                2p
                   -1 :               0.00002410927196
                   +0 :              -0.00001684087264
                   +1 :               0.00004149667044
                3p
                   -1 :              -0.00001554395792
                   +0 :               0.00000801480298
                   +1 :              -0.00001423029726
                3d
                   -2 :              -0.00000332043010
                   -1 :              -0.00000014903238
                   +0 :              -0.00000000876892
                   +1 :               0.00000033478199
                   +2 :              -0.00000450556834
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 20)  npairs=  14
              1 vec=    -2.593647      1.739106     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00244918118837
                2s
                   +0 :              -0.05284172098728
                3s
                   +0 :               0.00372160748672
                2p
                   -1 :              -0.01739038810537
                   +0 :               0.02514156983270
                   +1 :               0.01839757992130
                3p
                   -1 :               0.00345311313955
                   +0 :              -0.00026613899389
                   +1 :               0.00045086729695
                3d
                   -2 :               0.00135479121476
                   -1 :               0.00214738632462
                   +0 :              -0.00099100657388
                   +1 :              -0.00211959584197
                   +2 :              -0.00005744628724
              2 vec=     5.186516     -2.752773     -4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00227457679780
                2s
                   +0 :              -0.01628314227671
                3s
                   +0 :               0.00760987559917
                2p
                   -1 :               0.00650170529915
                   +0 :               0.00584111855627
                   +1 :              -0.01381147116119
                3p
                   -1 :              -0.00488678292728
                   +0 :              -0.00451125942828
                   +1 :               0.00970996659374
                3d
                   -2 :              -0.00063231381098
                   -1 :               0.00023852506298
                   +0 :              -0.00036024730495
                   +1 :              -0.00046330791455
                   +2 :               0.00042244589637
              3 vec=    -2.593647     -7.244652     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00009651849685
                2s
                   +0 :              -0.00088246912212
                3s
                   +0 :              -0.00005386101060
                2p
                   -1 :               0.00391423218835
                   +0 :              -0.00269414654146
                   +1 :               0.00382064979311
                3p
                   -1 :              -0.00140082521526
                   +0 :               0.00052533620458
                   +1 :              -0.00151918298266
                3d
                   -2 :              -0.00006974610503
                   -1 :               0.00014150770116
                   +0 :               0.00012612329716
                   +1 :               0.00002846402004
                   +2 :               0.00003246605918
              4 vec=     5.186516      6.230985     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00015876654741
                2s
                   +0 :              -0.00108938994485
                3s
                   +0 :               0.00015216011323
                2p
                   -1 :              -0.00231305897704
                   +0 :              -0.00189190640228
                   +1 :              -0.00003764225273
                3p
                   -1 :              -0.00012006223142
                   +0 :               0.00052376891910
                   +1 :              -0.00088663494335
                3d
                   -2 :              -0.00021140256475
                   -1 :              -0.00001982879148
                   +0 :               0.00014644175104
                   +1 :              -0.00003251440884
                   +2 :               0.00002309567364
              5 vec=   -10.373810     -2.752773     -4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00004722825529
                2s
                   +0 :              -0.00060750635192
                3s
                   +0 :               0.00019049790074
                2p
                   -1 :              -0.00051058826813
                   +0 :              -0.00018820189163
                   +1 :               0.00069119450420
                3p
                   -1 :               0.00057209233426
                   +0 :               0.00011408168546
                   +1 :              -0.00045403306678
                3d
                   -2 :              -0.00001554834478
                   -1 :              -0.00002188172449
                   +0 :              -0.00004653458726
                   +1 :               0.00002974370994
                   +2 :               0.00006988215441
              6 vec=    -2.593647     10.722864     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00007472357897
                2s
                   +0 :              -0.00048056010194
                3s
                   +0 :               0.00025139715029
                2p
                   -1 :              -0.00084323546888
                   +0 :              -0.00027811150420
                   +1 :              -0.00045170842239
                3p
                   -1 :               0.00081007452777
                   +0 :               0.00013640042326
                   +1 :               0.00033535346400
                3d
                   -2 :              -0.00003921766340
                   -1 :              -0.00000913669825
                   +0 :              -0.00003259424557
                   +1 :              -0.00000538746492
                   +2 :              -0.00005292516195
              7 vec=   -10.373810      6.230985     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00000626507089
                2s
                   +0 :              -0.00011343864038
                3s
                   +0 :              -0.00002542543115
                2p
                   -1 :               0.00013855770487
                   +0 :               0.00030452431834
                   +1 :              -0.00007529617646
                3p
                   -1 :              -0.00010530977646
                   +0 :              -0.00015521197888
                   +1 :               0.00017670780252
                3d
                   -2 :              -0.00001652882441
                   -1 :               0.00000910380647
                   +0 :               0.00000545591073
                   +1 :               0.00003245634022
                   +2 :               0.00002935596632
              8 vec=     5.186516    -11.736531     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00001545507236
                2s
                   +0 :              -0.00034959411884
                3s
                   +0 :              -0.00005775563007
                2p
                   -1 :               0.00016741392602
                   +0 :               0.00010448886497
                   +1 :               0.00001408219046
                3p
                   -1 :               0.00013986253582
                   +0 :              -0.00006852125945
                   +1 :              -0.00016326710515
                3d
                   -2 :               0.00003783006385
                   -1 :               0.00000748791572
                   +0 :               0.00002545656467
                   +1 :              -0.00001647274408
                   +2 :               0.00002245057086
              9 vec=    12.966678      1.739106     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00000081766058
                2s
                   +0 :              -0.00006603382747
                3s
                   +0 :              -0.00003494831275
                2p
                   -1 :              -0.00022868248187
                   +0 :              -0.00015942315179
                   +1 :              -0.00009190543603
                3p
                   -1 :               0.00015875071730
                   +0 :               0.00011089992652
                   +1 :               0.00001901960155
                3d
                   -2 :              -0.00000172530890
                   -1 :              -0.00000585732515
                   +0 :               0.00000360762008
                   +1 :               0.00000446552996
                   +2 :               0.00001685069132
             10 vec=    12.966678     -7.244652     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00003090029570
                2s
                   +0 :              -0.00019859700514
                3s
                   +0 :               0.00005004662014
                2p
                   -1 :               0.00007407713839
                   +0 :               0.00009698491357
                   +1 :              -0.00020396996962
                3p
                   -1 :              -0.00003542553485
                   +0 :              -0.00009046105561
                   +1 :               0.00009046734248
                3d
                   -2 :               0.00000978627727
                   -1 :              -0.00000319442339
                   +0 :               0.00001228711469
                   +1 :              -0.00000983919138
                   +2 :              -0.00001425086746
             11 vec=   -10.373810    -11.736531     -4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000804166906
                2s
                   +0 :              -0.00005833616411
                3s
                   +0 :              -0.00000575286135
                2p
                   -1 :               0.00001065643800
                   +0 :              -0.00002819515228
                   +1 :               0.00003982230026
                3p
                   -1 :               0.00001158642859
                   +0 :               0.00001351837591
                   +1 :               0.00002335624034
                3d
                   -2 :               0.00000356421020
                   -1 :              -0.00000041688174
                   +0 :               0.00001151472728
                   +1 :              -0.00000807444520
                   +2 :              -0.00000798364742
             12 vec=     5.186516     15.214743     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00001933738470
                2s
                   +0 :               0.00012574327222
                3s
                   +0 :              -0.00005729704671
                2p
                   -1 :               0.00007701581153
                   +0 :               0.00002400594927
                   +1 :               0.00009694183036
                3p
                   -1 :              -0.00006447987251
                   +0 :              -0.00004588996703
                   +1 :              -0.00006711074310
                3d
                   -2 :              -0.00000135298647
                   -1 :              -0.00000158950159
                   +0 :               0.00000616966751
                   +1 :               0.00000252087805
                   +2 :               0.00000114285778
             13 vec=    -2.593647    -16.228410     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00000176390240
                2s
                   +0 :              -0.00001460023988
                3s
                   +0 :              -0.00000047088522
                2p
                   -1 :              -0.00000445641483
                   +0 :              -0.00009299121475
                   +1 :               0.00005237375380
                3p
                   -1 :               0.00001658051261
                   +0 :               0.00006622820614
                   +1 :              -0.00006101085403
                3d
                   -2 :              -0.00000218837976
                   -1 :               0.00000130624286
                   +0 :              -0.00000453678144
                   +1 :               0.00000359450423
                   +2 :               0.00000434362400
             14 vec=    12.966678     10.722864     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000136760212
                2s
                   +0 :              -0.00000287400855
                3s
                   +0 :               0.00000243495002
                2p
                   -1 :               0.00005154636091
                   +0 :               0.00004012175998
                   +1 :              -0.00005184918661
                3p
                   -1 :              -0.00001769066905
                   +0 :              -0.00005928104116
                   +1 :               0.00001943953742
                3d
                   -2 :               0.00000165832796
                   -1 :              -0.00000037406079
                   +0 :               0.00000211464417
                   +1 :              -0.00000010008363
                   +2 :               0.00000093714225
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 21)  npairs=  14
              1 vec=    -0.209546     -3.115268     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00233650748029
                2s
                   +0 :              -0.05997612802303
                3s
                   +0 :               0.00343995087896
                2p
                   -1 :               0.02561734261489
                   +0 :               0.02378118945678
                   +1 :              -0.00175928399629
                3p
                   -1 :               0.00090646389247
                   +0 :               0.00296639323417
                   +1 :               0.00456169334370
                3d
                   -2 :              -0.00007151133716
                   -1 :              -0.00316297712125
                   +0 :              -0.00149642486144
                   +1 :               0.00043177037198
                   +2 :               0.00107294085552
              2 vec=    -0.209546      5.868490     -4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00008386126611
                2s
                   +0 :               0.00144181145145
                3s
                   +0 :              -0.00049035310949
                2p
                   -1 :               0.00000823003973
                   +0 :               0.00157260949665
                   +1 :              -0.00080112495910
                3p
                   -1 :              -0.00095158760305
                   +0 :              -0.00122294489453
                   +1 :               0.00073357337228
                3d
                   -2 :               0.00001163227680
                   -1 :              -0.00018984633361
                   +0 :               0.00032705409421
                   +1 :              -0.00005335739544
                   +2 :              -0.00010096460948
              3 vec=     7.570617      1.376611     -4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00027213018727
                2s
                   +0 :               0.00281110537156
                3s
                   +0 :              -0.00098980013272
                2p
                   -1 :               0.00256457895319
                   +0 :              -0.00339490401416
                   +1 :               0.00064978485871
                3p
                   -1 :              -0.00102689010759
                   +0 :               0.00081223114566
                   +1 :              -0.00083294279917
                3d
                   -2 :               0.00005561329913
                   -1 :               0.00016880491790
                   +0 :               0.00010356296808
                   +1 :              -0.00013867819898
                   +2 :              -0.00007494684818
              4 vec=    -7.989708      1.376611     -4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00012924720649
                2s
                   +0 :               0.00060571509003
                3s
                   +0 :              -0.00052749065911
                2p
                   -1 :              -0.00096768549209
                   +0 :              -0.00108231172433
                   +1 :               0.00252139338719
                3p
                   -1 :               0.00145383826922
                   +0 :               0.00003902918575
                   +1 :              -0.00126989562780
                3d
                   -2 :              -0.00015670529876
                   -1 :              -0.00001639854216
                   +0 :              -0.00001295915994
                   +1 :               0.00013663421737
                   +2 :              -0.00004423095891
              5 vec=     7.570617     -7.607147     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00025010657395
                2s
                   +0 :               0.00136186999267
                3s
                   +0 :              -0.00081433513602
                2p
                   -1 :              -0.00119934521783
                   +0 :               0.00054140059226
                   +1 :               0.00017837924518
                3p
                   -1 :               0.00113469047509
                   +0 :              -0.00052647913454
                   +1 :              -0.00025654402795
                3d
                   -2 :               0.00003476566703
                   -1 :               0.00002584816574
                   +0 :               0.00004646479697
                   +1 :              -0.00001129147675
                   +2 :               0.00006723103841
              6 vec=    -7.989708     -7.607147     -4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00002249392430
                2s
                   +0 :              -0.00005258218237
                3s
                   +0 :              -0.00013852647099
                2p
                   -1 :               0.00016711427312
                   +0 :              -0.00013647690035
                   +1 :               0.00020352953568
                3p
                   -1 :              -0.00007450786656
                   +0 :               0.00006366900919
                   +1 :               0.00003696621839
                3d
                   -2 :              -0.00001016510199
                   -1 :               0.00000495573673
                   +0 :               0.00001947156361
                   +1 :               0.00000010033131
                   +2 :              -0.00000131693511
              7 vec=    -0.209546    -12.099026     -4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00001518143482
                2s
                   +0 :              -0.00005731966676
                3s
                   +0 :              -0.00012729434862
                2p
                   -1 :              -0.00028618964361
                   +0 :              -0.00004672267684
                   +1 :              -0.00028009334888
                3p
                   -1 :               0.00030102380198
                   +0 :               0.00016966356636
                   +1 :               0.00011387746013
                3d
                   -2 :              -0.00000520816650
                   -1 :              -0.00001226605473
                   +0 :               0.00004106448192
                   +1 :               0.00003236284405
                   +2 :              -0.00000056712344
              8 vec=     7.570617     10.360369     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00006998470270
                2s
                   +0 :              -0.00079753335721
                3s
                   +0 :               0.00017569006650
                2p
                   -1 :              -0.00076103377448
                   +0 :              -0.00015902662389
                   +1 :              -0.00032686174590
                3p
                   -1 :               0.00026698432602
                   +0 :               0.00010786905064
                   +1 :               0.00007520899656
                3d
                   -2 :              -0.00003273249697
                   -1 :               0.00002201821214
                   +0 :               0.00001847223951
                   +1 :              -0.00000465808504
                   +2 :              -0.00001273836922
              9 vec=    -7.989708     10.360369     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00002218602957
                2s
                   +0 :              -0.00013134057390
                3s
                   +0 :              -0.00014408839843
                2p
                   -1 :              -0.00044462949389
                   +0 :               0.00005204502944
                   +1 :               0.00021931560840
                3p
                   -1 :               0.00009737034301
                   +0 :              -0.00007742743702
                   +1 :              -0.00006108837742
                3d
                   -2 :               0.00001858888414
                   -1 :              -0.00001616804913
                   +0 :               0.00000943216835
                   +1 :               0.00002626248716
                   +2 :               0.00000917599585
             10 vec=    -0.209546     14.852248     -4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00004707223144
                2s
                   +0 :               0.00027419622638
                3s
                   +0 :              -0.00013509816748
                2p
                   -1 :               0.00015100435966
                   +0 :              -0.00001576747867
                   +1 :               0.00004037387373
                3p
                   -1 :              -0.00014059459013
                   +0 :              -0.00000023337884
                   +1 :              -0.00004328249640
                3d
                   -2 :              -0.00000449154777
                   -1 :               0.00000268353818
                   +0 :              -0.00000143032539
                   +1 :               0.00000200561653
                   +2 :               0.00000899665894
             11 vec=    15.350780     -3.115268     -4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000632800065
                2s
                   +0 :               0.00002832508275
                3s
                   +0 :              -0.00005988446509
                2p
                   -1 :               0.00006777872229
                   +0 :              -0.00003839475228
                   +1 :               0.00020915583449
                3p
                   -1 :              -0.00007102412815
                   +0 :               0.00002013631530
                   +1 :              -0.00025979014518
                3d
                   -2 :              -0.00000774103460
                   -1 :               0.00000181701959
                   +0 :               0.00000680094179
                   +1 :               0.00000546013063
                   +2 :              -0.00002701239618
             12 vec=   -15.769871     -3.115268     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00000228049337
                2s
                   +0 :               0.00000245524826
                3s
                   +0 :              -0.00001574546542
                2p
                   -1 :              -0.00012305220605
                   +0 :              -0.00005546424240
                   +1 :              -0.00008558563834
                3p
                   -1 :               0.00010919214172
                   +0 :               0.00002524124535
                   +1 :               0.00011517748482
                3d
                   -2 :              -0.00000406746869
                   -1 :               0.00000327533514
                   +0 :               0.00000966623058
                   +1 :              -0.00000084337624
                   +2 :              -0.00000808781159
             13 vec=    15.350780      5.868490     -4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00000852861713
                2s
                   +0 :              -0.00005699032726
                3s
                   +0 :               0.00002938043260
                2p
                   -1 :              -0.00005369155715
                   +0 :               0.00004550177322
                   +1 :              -0.00000688469637
                3p
                   -1 :               0.00003384888564
                   +0 :              -0.00005084186946
                   +1 :              -0.00002444660208
                3d
                   -2 :               0.00000612521515
                   -1 :              -0.00000727732630
                   +0 :               0.00000549679137
                   +1 :              -0.00000405863216
                   +2 :              -0.00000120644328
             14 vec=   -15.769871      5.868490     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000129094921
                2s
                   +0 :              -0.00000444144324
                3s
                   +0 :              -0.00001422266395
                2p
                   -1 :              -0.00007402272473
                   +0 :              -0.00005813393624
                   +1 :               0.00000357873512
                3p
                   -1 :               0.00004819112406
                   +0 :               0.00003155077824
                   +1 :               0.00002192501580
                3d
                   -2 :               0.00000431560527
                   -1 :              -0.00000166138391
                   +0 :              -0.00000282886016
                   +1 :               0.00000104980247
                   +2 :              -0.00000135542524
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 22)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00009264272827
                2s
                   +0 :               0.00095239849026
                3s
                   +0 :               0.00038373550201
                2p
                   -1 :               0.00004937275240
                   +0 :               0.00045376248194
                   +1 :               0.00141277341469
                3p
                   -1 :               0.00138417443156
                   +0 :               0.00095887103395
                   +1 :              -0.00060531196654
                3d
                   -2 :               0.00004169564684
                   -1 :               0.00023665044514
                   +0 :               0.00004233110720
                   +1 :               0.00002579629325
                   +2 :              -0.00004251535489
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00044233600885
                2s
                   +0 :               0.00394026043943
                3s
                   +0 :              -0.00064932214635
                2p
                   -1 :              -0.00222454931859
                   +0 :               0.00808685662314
                   +1 :              -0.00533308762494
                3p
                   -1 :               0.00025444058764
                   +0 :              -0.00147968471677
                   +1 :               0.00122503759822
                3d
                   -2 :               0.00008447074899
                   -1 :              -0.00013503943103
                   +0 :               0.00018839550164
                   +1 :              -0.00017334669549
                   +2 :               0.00011158501436
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00029258641646
                2s
                   +0 :               0.00286180583876
                3s
                   +0 :              -0.00045479692941
                2p
                   -1 :              -0.00225420102616
                   +0 :               0.00217994435583
                   +1 :               0.00128006619286
                3p
                   -1 :               0.00009809268597
                   +0 :              -0.00030979068904
                   +1 :               0.00017255851371
                3d
                   -2 :              -0.00007102985991
                   -1 :              -0.00014205977348
                   +0 :              -0.00000728982577
                   +1 :               0.00011117380434
                   +2 :              -0.00001852707209
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001918794777
                2s
                   +0 :               0.00045118958269
                3s
                   +0 :              -0.00006760128770
                2p
                   -1 :               0.00031813691194
                   +0 :              -0.00045265688644
                   +1 :              -0.00019424490346
                3p
                   -1 :              -0.00015770140572
                   +0 :               0.00020529432739
                   +1 :              -0.00005834483660
                3d
                   -2 :              -0.00000412793780
                   -1 :              -0.00001863825230
                   +0 :              -0.00002486966612
                   +1 :               0.00000884926710
                   +2 :               0.00001489082076
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00002673200259
                2s
                   +0 :              -0.00003955206803
                3s
                   +0 :               0.00014492691357
                2p
                   -1 :               0.00006758752735
                   +0 :              -0.00014368962330
                   +1 :               0.00003630852458
                3p
                   -1 :               0.00002326400393
                   +0 :               0.00023737147549
                   +1 :               0.00001858192602
                3d
                   -2 :               0.00001655114872
                   -1 :               0.00000189255034
                   +0 :               0.00002178155048
                   +1 :              -0.00001974170197
                   +2 :              -0.00000306793719
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001410086423
                2s
                   +0 :               0.00007377075623
                3s
                   +0 :               0.00000454907248
                2p
                   -1 :              -0.00011702688613
                   +0 :              -0.00040516712370
                   +1 :               0.00064876053766
                3p
                   -1 :              -0.00004808833280
                   +0 :               0.00019162063775
                   +1 :              -0.00064375522245
                3d
                   -2 :               0.00002962821495
                   -1 :               0.00001773710849
                   +0 :               0.00003531944701
                   +1 :              -0.00001906453425
                   +2 :              -0.00000755838732
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001435380410
                2s
                   +0 :               0.00014221072637
                3s
                   +0 :              -0.00003050167093
                2p
                   -1 :               0.00023633950012
                   +0 :               0.00002627596091
                   +1 :              -0.00010378569911
                3p
                   -1 :              -0.00015355066189
                   +0 :               0.00000189032603
                   +1 :               0.00005046038222
                3d
                   -2 :               0.00000214189845
                   -1 :               0.00000378064302
                   +0 :              -0.00000197334966
                   +1 :              -0.00000322201269
                   +2 :               0.00000225768864
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001371421484
                2s
                   +0 :               0.00020031084021
                3s
                   +0 :              -0.00003764870803
                2p
                   -1 :               0.00015416190990
                   +0 :               0.00014908218956
                   +1 :               0.00004797246307
                3p
                   -1 :              -0.00003313501054
                   +0 :              -0.00009177253644
                   +1 :              -0.00010824020777
                3d
                   -2 :              -0.00001532460819
                   -1 :              -0.00001522092113
                   +0 :              -0.00000706211506
                   +1 :               0.00000898123005
                   +2 :               0.00001021174317
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000174640721
                2s
                   +0 :               0.00000082100711
                3s
                   +0 :               0.00001001496415
                2p
                   -1 :              -0.00003849180224
                   +0 :              -0.00002740993764
                   +1 :              -0.00010454632963
                3p
                   -1 :               0.00003034930390
                   +0 :               0.00004804975839
                   +1 :               0.00010769512930
                3d
                   -2 :              -0.00000636965098
                   -1 :              -0.00000919021256
                   +0 :               0.00001672737283
                   +1 :              -0.00000635327308
                   +2 :              -0.00000140792312
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000847426333
                2s
                   +0 :               0.00004199319349
                3s
                   +0 :              -0.00001944745817
                2p
                   -1 :              -0.00005230107654
                   +0 :              -0.00000863861275
                   +1 :               0.00005855768467
                3p
                   -1 :               0.00003638351971
                   +0 :              -0.00001106832850
                   +1 :              -0.00004977174666
                3d
                   -2 :               0.00000401295672
                   -1 :               0.00000451989958
                   +0 :               0.00000055033456
                   +1 :               0.00000001085598
                   +2 :              -0.00000092050741
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000384039138
                2s
                   +0 :               0.00006877147974
                3s
                   +0 :               0.00000417258858
                2p
                   -1 :               0.00000009589355
                   +0 :              -0.00000491061796
                   +1 :               0.00003936456530
                3p
                   -1 :              -0.00000089947956
                   +0 :              -0.00000288102485
                   +1 :               0.00000763043886
                3d
                   -2 :               0.00000410610206
                   -1 :              -0.00000109883894
                   +0 :              -0.00000524377179
                   +1 :              -0.00000759236464
                   +2 :               0.00000523283116
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000779820736
                2s
                   +0 :              -0.00000422451188
                3s
                   +0 :               0.00004291205673
                2p
                   -1 :               0.00014756431496
                   +0 :              -0.00003360416938
                   +1 :               0.00000648635930
                3p
                   -1 :              -0.00010184265909
                   +0 :               0.00002743028849
                   +1 :               0.00007387467912
                3d
                   -2 :              -0.00000750002965
                   -1 :               0.00000420628140
                   +0 :              -0.00001326028045
                   +1 :               0.00001810613250
                   +2 :               0.00000641586217
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00002464342045
                2s
                   +0 :              -0.00020605957305
                3s
                   +0 :               0.00004503731147
                2p
                   -1 :               0.00004423706059
                   +0 :               0.00011449365925
                   +1 :               0.00003699116123
                3p
                   -1 :               0.00000193261210
                   +0 :               0.00003070931419
                   +1 :              -0.00001223929192
                3d
                   -2 :               0.00000091023264
                   -1 :              -0.00000459841326
                   +0 :              -0.00000583859901
                   +1 :              -0.00000297867952
                   +2 :               0.00000277329028
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003836973883
                2s
                   +0 :              -0.00028503338181
                3s
                   +0 :               0.00009678380251
                2p
                   -1 :              -0.00004501199360
                   +0 :               0.00012330251434
                   +1 :               0.00003271201939
                3p
                   -1 :               0.00004957251971
                   +0 :              -0.00003920429292
                   +1 :              -0.00006139726240
                3d
                   -2 :              -0.00000417072864
                   -1 :              -0.00000393634687
                   +0 :               0.00000872261861
                   +1 :               0.00000820708545
                   +2 :               0.00000974340590
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000784404069
                2s
                   +0 :              -0.00009588586119
                3s
                   +0 :              -0.00001521388461
                2p
                   -1 :              -0.00003054242101
                   +0 :               0.00009732370428
                   +1 :               0.00000006137574
                3p
                   -1 :              -0.00001710762449
                   +0 :              -0.00000555583676
                   +1 :              -0.00002526795365
                3d
                   -2 :              -0.00000213517823
                   -1 :               0.00000731684651
                   +0 :               0.00000122195289
                   +1 :               0.00001005091319
                   +2 :              -0.00000286855334
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 23)  npairs=  15
              1 vec=     2.174037      4.491729      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00021062198509
                2s
                   +0 :               0.00229380619139
                3s
                   +0 :              -0.00001349672676
                2p
                   -1 :               0.00379683184833
                   +0 :               0.00416848628996
                   +1 :              -0.00350137713705
                3p
                   -1 :              -0.00045799101259
                   +0 :              -0.00053811692228
                   +1 :               0.00163130631718
                3d
                   -2 :              -0.00006862625808
                   -1 :               0.00006251808792
                   +0 :               0.00002531795545
                   +1 :               0.00005036485318
                   +2 :               0.00001971012715
              2 vec=     2.174037     -4.492029      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00024861248142
                2s
                   +0 :               0.00181277970940
                3s
                   +0 :              -0.00012496428479
                2p
                   -1 :              -0.00040767500964
                   +0 :               0.00341748362406
                   +1 :               0.00107457748032
                3p
                   -1 :              -0.00023990434418
                   +0 :              -0.00053669074070
                   +1 :               0.00129701688157
                3d
                   -2 :              -0.00012452650206
                   -1 :              -0.00004192998942
                   +0 :               0.00011512484368
                   +1 :               0.00033458357759
                   +2 :               0.00007453762853
              3 vec=    -5.606126     -0.000150      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00023523354655
                2s
                   +0 :               0.00237655721041
                3s
                   +0 :               0.00013010953068
                2p
                   -1 :              -0.00132990892682
                   +0 :               0.00110227150352
                   +1 :              -0.00188686778023
                3p
                   -1 :               0.00003332002819
                   +0 :               0.00113091767419
                   +1 :              -0.00000927750545
                3d
                   -2 :               0.00008171578948
                   -1 :              -0.00019991933320
                   +0 :               0.00010287694100
                   +1 :              -0.00003891571292
                   +2 :              -0.00003330259658
              4 vec=     9.954199     -0.000150      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00010059674040
                2s
                   +0 :               0.00092046109078
                3s
                   +0 :              -0.00041590664846
                2p
                   -1 :               0.00004755393085
                   +0 :              -0.00015828629772
                   +1 :               0.00059746513027
                3p
                   -1 :               0.00021880832408
                   +0 :              -0.00005353875316
                   +1 :              -0.00040736088824
                3d
                   -2 :               0.00003268263970
                   -1 :               0.00002236608150
                   +0 :               0.00000096840331
                   +1 :              -0.00006550002592
                   +2 :              -0.00002128596505
              5 vec=    -5.606126      8.983608      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00001547783766
                2s
                   +0 :               0.00024223160000
                3s
                   +0 :              -0.00004236803747
                2p
                   -1 :              -0.00008174204831
                   +0 :              -0.00030268127674
                   +1 :              -0.00022720552410
                3p
                   -1 :               0.00008252674643
                   +0 :               0.00025948238987
                   +1 :               0.00010310969167
                3d
                   -2 :               0.00002624978074
                   -1 :              -0.00000346753579
                   +0 :               0.00004728624716
                   +1 :              -0.00000002899388
                   +2 :               0.00000604332992
              6 vec=    -5.606126     -8.983908      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00004406453772
                2s
                   +0 :               0.00049923497634
                3s
                   +0 :              -0.00004398811243
                2p
                   -1 :              -0.00009827839579
                   +0 :               0.00020116571250
                   +1 :              -0.00009722995258
                3p
                   -1 :              -0.00018546470356
                   +0 :              -0.00014111258094
                   +1 :              -0.00008621656266
                3d
                   -2 :               0.00003336038960
                   -1 :               0.00000221877250
                   +0 :              -0.00001493496925
                   +1 :               0.00004442583462
                   +2 :              -0.00003873465854
              7 vec=     9.954199      8.983608      8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00001322044237
                2s
                   +0 :               0.00012981645593
                3s
                   +0 :              -0.00001742842459
                2p
                   -1 :               0.00022030537635
                   +0 :               0.00014252039411
                   +1 :               0.00014120572835
                3p
                   -1 :              -0.00010567493325
                   +0 :              -0.00008994129244
                   +1 :              -0.00006726226172
                3d
                   -2 :              -0.00000871863413
                   -1 :              -0.00000620826901
                   +0 :              -0.00000939959642
                   +1 :               0.00000004395992
                   +2 :              -0.00000208782064
              8 vec=     9.954199     -8.983908      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00003004853336
                2s
                   +0 :              -0.00015884170133
                3s
                   +0 :               0.00012862458616
                2p
                   -1 :              -0.00001842867342
                   +0 :              -0.00003745646094
                   +1 :              -0.00026881953182
                3p
                   -1 :              -0.00006752852586
                   +0 :               0.00004930793858
                   +1 :               0.00024030594179
                3d
                   -2 :               0.00000048351657
                   -1 :              -0.00001003926745
                   +0 :               0.00001345230331
                   +1 :               0.00001041540681
                   +2 :              -0.00000271545888
              9 vec=     2.174037     13.475487      8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00003238600396
                2s
                   +0 :              -0.00017673948102
                3s
                   +0 :               0.00011994929904
                2p
                   -1 :              -0.00001657786891
                   +0 :               0.00012341923765
                   +1 :               0.00001417506711
                3p
                   -1 :               0.00004156300404
                   +0 :              -0.00005946114207
                   +1 :               0.00004688914686
                3d
                   -2 :               0.00000761580389
                   -1 :              -0.00000876076943
                   +0 :               0.00000423065017
                   +1 :              -0.00000400156516
                   +2 :               0.00000527804389
             10 vec=     2.174037    -13.475787      8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00000402591474
                2s
                   +0 :               0.00005502490886
                3s
                   +0 :              -0.00000923840499
                2p
                   -1 :              -0.00002858848840
                   +0 :              -0.00000293071812
                   +1 :               0.00001731196098
                3p
                   -1 :               0.00000507514459
                   +0 :              -0.00001160011655
                   +1 :              -0.00000015611785
                3d
                   -2 :               0.00000078662688
                   -1 :              -0.00000029415132
                   +0 :               0.00000184058518
                   +1 :              -0.00000212455893
                   +2 :              -0.00000111454097
             11 vec=   -13.386289      4.491729      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00002126999233
                2s
                   +0 :               0.00014687490871
                3s
                   +0 :              -0.00003449181366
                2p
                   -1 :               0.00007125810411
                   +0 :              -0.00002097370520
                   +1 :              -0.00014710922440
                3p
                   -1 :              -0.00004877406559
                   +0 :               0.00002876500711
                   +1 :               0.00008094814803
                3d
                   -2 :               0.00000302482904
                   -1 :               0.00000440058418
                   +0 :               0.00000360145484
                   +1 :              -0.00000166112349
                   +2 :               0.00000090085681
             12 vec=   -13.386289     -4.492029      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000657659930
                2s
                   +0 :               0.00011034039048
                3s
                   +0 :               0.00001600029117
                2p
                   -1 :              -0.00000601710331
                   +0 :              -0.00007535179000
                   +1 :              -0.00010034423849
                3p
                   -1 :              -0.00001193557145
                   +0 :               0.00007238936733
                   +1 :              -0.00003584683802
                3d
                   -2 :              -0.00000063254546
                   -1 :               0.00000448910833
                   +0 :               0.00000307017477
                   +1 :              -0.00000509655755
                   +2 :               0.00000440976609
             13 vec=     2.174037      4.491729    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00002209753605
                2s
                   +0 :              -0.00020091315870
                3s
                   +0 :               0.00003962484820
                2p
                   -1 :               0.00008297949317
                   +0 :               0.00015303751436
                   +1 :              -0.00006492675467
                3p
                   -1 :              -0.00000344846692
                   +0 :              -0.00006592714683
                   +1 :               0.00004972692941
                3d
                   -2 :               0.00000182408937
                   -1 :              -0.00000583776531
                   +0 :               0.00000532445296
                   +1 :              -0.00000351435640
                   +2 :               0.00000297622331
             14 vec=     2.174037     -4.492029    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00001935359782
                2s
                   +0 :              -0.00014847998066
                3s
                   +0 :               0.00003882679174
                2p
                   -1 :               0.00001745965546
                   +0 :               0.00012464688720
                   +1 :              -0.00008148379883
                3p
                   -1 :               0.00001947354076
                   +0 :              -0.00005053657422
                   +1 :               0.00007499200849
                3d
                   -2 :               0.00000086035595
                   -1 :              -0.00000480677553
                   +0 :               0.00000204565658
                   +1 :              -0.00000700521428
                   +2 :               0.00000727087386
             15 vec=    -5.606126     -0.000150    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000608320854
                2s
                   +0 :              -0.00009307089110
                3s
                   +0 :              -0.00001601271451
                2p
                   -1 :              -0.00004873262118
                   +0 :               0.00017896093829
                   +1 :              -0.00003798433242
                3p
                   -1 :              -0.00003062501893
                   +0 :              -0.00003451110507
                   +1 :               0.00001876183526
                3d
                   -2 :               0.00000247980231
                   -1 :               0.00000867339783
                   +0 :              -0.00000117218840
                   +1 :              -0.00000344849617
                   +2 :               0.00000538211679
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 24)  npairs=  14
              1 vec=    -0.209546      0.363243      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00030896501198
                2s
                   +0 :              -0.00019083649459
                3s
                   +0 :              -0.00131146454866
                2p
                   -1 :               0.00151962869770
                   +0 :               0.00363723350062
                   +1 :               0.00181354665943
                3p
                   -1 :              -0.00093743503086
                   +0 :              -0.00348102364820
                   +1 :              -0.00081415591617
                3d
                   -2 :               0.00000078981234
                   -1 :               0.00010390882785
                   +0 :              -0.00073291802241
                   +1 :               0.00008116462068
                   +2 :              -0.00014238188555
              2 vec=    -0.209546     -8.620515      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00003490568602
                2s
                   +0 :              -0.00007161017593
                3s
                   +0 :               0.00011375888532
                2p
                   -1 :              -0.00056639509284
                   +0 :               0.00040549626486
                   +1 :               0.00034664180383
                3p
                   -1 :               0.00028291875066
                   +0 :              -0.00035946525406
                   +1 :              -0.00027000878011
                3d
                   -2 :               0.00002781660439
                   -1 :               0.00001419148414
                   +0 :              -0.00005153729624
                   +1 :              -0.00003285361811
                   +2 :               0.00003043882933
              3 vec=     7.570617     -4.128636      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00027133452984
                2s
                   +0 :              -0.00136256888467
                3s
                   +0 :               0.00092049931841
                2p
                   -1 :              -0.00132880206541
                   +0 :              -0.00114599265064
                   +1 :               0.00103565018961
                3p
                   -1 :               0.00086611010723
                   +0 :               0.00090961224480
                   +1 :              -0.00045920155054
                3d
                   -2 :               0.00001630286361
                   -1 :              -0.00002356453053
                   +0 :               0.00004863965189
                   +1 :              -0.00000843394245
                   +2 :              -0.00003587994761
              4 vec=    -7.989708     -4.128636      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00001713455932
                2s
                   +0 :               0.00059326141708
                3s
                   +0 :               0.00007433080632
                2p
                   -1 :              -0.00008916263438
                   +0 :              -0.00052056036593
                   +1 :              -0.00029157989810
                3p
                   -1 :              -0.00018373849450
                   +0 :               0.00021472992985
                   +1 :              -0.00017581598591
                3d
                   -2 :               0.00001483255616
                   -1 :              -0.00000695478800
                   +0 :              -0.00005394938099
                   +1 :              -0.00000380130684
                   +2 :               0.00003611421068
              5 vec=     7.570617      4.855122      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00007690689265
                2s
                   +0 :               0.00057120802363
                3s
                   +0 :              -0.00031836209096
                2p
                   -1 :               0.00068938828999
                   +0 :              -0.00013965000246
                   +1 :               0.00070452949142
                3p
                   -1 :              -0.00040575667437
                   +0 :               0.00001308844817
                   +1 :              -0.00024848433910
                3d
                   -2 :              -0.00002489037761
                   -1 :              -0.00001798313827
                   +0 :               0.00002854907362
                   +1 :              -0.00001421003160
                   +2 :              -0.00003051436417
              6 vec=    -7.989708      4.855122      8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00000546775445
                2s
                   +0 :               0.00010163096250
                3s
                   +0 :               0.00008027347271
                2p
                   -1 :              -0.00004133666943
                   +0 :              -0.00063962346783
                   +1 :              -0.00050595511320
                3p
                   -1 :               0.00019775183493
                   +0 :               0.00055371426953
                   +1 :               0.00018324736697
                3d
                   -2 :               0.00002766964623
                   -1 :              -0.00001610751960
                   +0 :               0.00005031352977
                   +1 :              -0.00002336300794
                   +2 :              -0.00000674292006
              7 vec=    -0.209546      9.347001      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00006190453808
                2s
                   +0 :               0.00086771070822
                3s
                   +0 :              -0.00018632928815
                2p
                   -1 :               0.00111760021055
                   +0 :               0.00042585218116
                   +1 :              -0.00014547735685
                3p
                   -1 :              -0.00058837507904
                   +0 :              -0.00042614672346
                   +1 :               0.00005393635363
                3d
                   -2 :              -0.00003780404523
                   -1 :              -0.00000653891784
                   +0 :              -0.00000007977075
                   +1 :              -0.00001194156949
                   +2 :              -0.00000776225973
              8 vec=    -0.209546      0.363243    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00000056112440
                2s
                   +0 :               0.00000736557951
                3s
                   +0 :              -0.00002542234586
                2p
                   -1 :              -0.00000423376902
                   +0 :              -0.00010736723513
                   +1 :              -0.00001517123775
                3p
                   -1 :               0.00001236874523
                   +0 :               0.00011087111387
                   +1 :               0.00002973158923
                3d
                   -2 :              -0.00000261046306
                   -1 :              -0.00000315202810
                   +0 :              -0.00001633906198
                   +1 :              -0.00000320948315
                   +2 :              -0.00000126309615
              9 vec=     7.570617    -13.112394      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00000506171259
                2s
                   +0 :              -0.00003870909250
                3s
                   +0 :               0.00004529643547
                2p
                   -1 :              -0.00001892925518
                   +0 :               0.00006768846921
                   +1 :               0.00006392519396
                3p
                   -1 :              -0.00003414580995
                   +0 :              -0.00003780043004
                   +1 :              -0.00003356399137
                3d
                   -2 :               0.00000231939228
                   -1 :               0.00000195947783
                   +0 :              -0.00000795842912
                   +1 :              -0.00000466819488
                   +2 :              -0.00000729975290
             10 vec=    -7.989708    -13.112394      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00003437279693
                2s
                   +0 :               0.00030694185455
                3s
                   +0 :              -0.00006570178313
                2p
                   -1 :              -0.00023675716800
                   +0 :               0.00003432462400
                   +1 :              -0.00005264117325
                3p
                   -1 :               0.00009448322632
                   +0 :               0.00001317303649
                   +1 :              -0.00002680978805
                3d
                   -2 :               0.00000691212965
                   -1 :              -0.00000269912114
                   +0 :              -0.00000332515166
                   +1 :              -0.00000270392734
                   +2 :               0.00000396778970
             11 vec=    15.350780      0.363243      8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00000010325409
                2s
                   +0 :               0.00002208559594
                3s
                   +0 :               0.00001660389690
                2p
                   -1 :              -0.00009957770059
                   +0 :               0.00006736356497
                   +1 :               0.00002992957796
                3p
                   -1 :               0.00006696053906
                   +0 :              -0.00001120061658
                   +1 :               0.00004193030815
                3d
                   -2 :               0.00000189071056
                   -1 :               0.00000133437405
                   +0 :              -0.00000542571048
                   +1 :               0.00000399264031
                   +2 :               0.00000261238203
             12 vec=   -15.769871      0.363243      8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000399662770
                2s
                   +0 :               0.00005581449272
                3s
                   +0 :               0.00001319930026
                2p
                   -1 :               0.00000397658202
                   +0 :               0.00000622523150
                   +1 :              -0.00003242720460
                3p
                   -1 :              -0.00000956631433
                   +0 :               0.00002514014000
                   +1 :              -0.00001671252102
                3d
                   -2 :               0.00000215167072
                   -1 :              -0.00000574039695
                   +0 :               0.00000184878399
                   +1 :              -0.00000519812174
                   +2 :               0.00000257362706
             13 vec=     7.570617     13.838880      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00002567819720
                2s
                   +0 :               0.00021298456173
                3s
                   +0 :              -0.00004103565884
                2p
                   -1 :               0.00008688422342
                   +0 :               0.00006512053198
                   +1 :               0.00005937349175
                3p
                   -1 :               0.00001108481436
                   +0 :              -0.00001220051729
                   +1 :              -0.00003804500467
                3d
                   -2 :               0.00000055426702
                   -1 :               0.00000005299793
                   +0 :              -0.00000013537360
                   +1 :              -0.00000405146338
                   +2 :               0.00000038892235
             14 vec=    -7.989708     13.838880      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000260782220
                2s
                   +0 :               0.00003280730008
                3s
                   +0 :              -0.00000046343315
                2p
                   -1 :               0.00003135213418
                   +0 :               0.00000825693108
                   +1 :              -0.00001182565236
                3p
                   -1 :              -0.00000767824705
                   +0 :              -0.00000284665891
                   +1 :               0.00000733370416
                3d
                   -2 :               0.00000119804946
                   -1 :              -0.00000111606337
                   +0 :              -0.00000354165581
                   +1 :              -0.00000268500935
                   +2 :              -0.00000198943202
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 25)  npairs=  14
              1 vec=    -0.419351     -2.752474      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00259842268062
                2s
                   +0 :               0.08085146435550
                3s
                   +0 :              -0.00472444533662
                2p
                   -1 :              -0.03631534667203
                   +0 :               0.04408312154496
                   +1 :              -0.00744613406007
                3p
                   -1 :               0.00468812360815
                   +0 :              -0.00608429433990
                   +1 :               0.00038057416342
                3d
                   -2 :               0.00083305476758
                   -1 :              -0.00160587430785
                   +0 :               0.00095365296862
                   +1 :              -0.00029402683042
                   +2 :              -0.00199297433766
              2 vec=    -0.419351      6.231284      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00042681697190
                2s
                   +0 :               0.00316796508943
                3s
                   +0 :              -0.00150797431355
                2p
                   -1 :               0.00316873055608
                   +0 :               0.00182099775323
                   +1 :               0.00181599027867
                3p
                   -1 :              -0.00152919762522
                   +0 :              -0.00071342324139
                   +1 :              -0.00166604857463
                3d
                   -2 :               0.00005567856693
                   -1 :              -0.00010122300627
                   +0 :               0.00038870290257
                   +1 :              -0.00007759690697
                   +2 :               0.00022068170618
              3 vec=     7.360812      1.739405      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00026010979844
                2s
                   +0 :               0.00117864581530
                3s
                   +0 :              -0.00088941815758
                2p
                   -1 :              -0.00057958980460
                   +0 :              -0.00353892632446
                   +1 :               0.00309669623618
                3p
                   -1 :              -0.00105539286592
                   +0 :               0.00057511930651
                   +1 :              -0.00165848472218
                3d
                   -2 :              -0.00018432598938
                   -1 :              -0.00009911213934
                   +0 :              -0.00001193291923
                   +1 :              -0.00026608705169
                   +2 :               0.00006703492151
              4 vec=    -8.199513      1.739405      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00023762727804
                2s
                   +0 :               0.00168887487746
                3s
                   +0 :              -0.00056438187167
                2p
                   -1 :               0.00028535421899
                   +0 :               0.00041555790354
                   +1 :              -0.00254616496159
                3p
                   -1 :              -0.00056067412067
                   +0 :              -0.00124259123382
                   +1 :               0.00082419917321
                3d
                   -2 :               0.00002370673099
                   -1 :              -0.00002999038958
                   +0 :              -0.00002359383331
                   +1 :               0.00015634953203
                   +2 :               0.00005745024849
              5 vec=     7.360812     -7.244353      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00018932592220
                2s
                   +0 :              -0.00085909629583
                3s
                   +0 :               0.00043904306065
                2p
                   -1 :              -0.00127758022087
                   +0 :               0.00093576781862
                   +1 :              -0.00001640408797
                3p
                   -1 :               0.00102646791462
                   +0 :              -0.00100920837406
                   +1 :               0.00004741345473
                3d
                   -2 :               0.00011363665069
                   -1 :               0.00005599471212
                   +0 :               0.00008561127177
                   +1 :              -0.00000335849585
                   +2 :               0.00006113140413
              6 vec=    -8.199513     -7.244353      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00004293119423
                2s
                   +0 :               0.00026417651733
                3s
                   +0 :              -0.00004238126234
                2p
                   -1 :              -0.00003978686406
                   +0 :               0.00009826460681
                   +1 :              -0.00061667502337
                3p
                   -1 :               0.00012592760558
                   +0 :              -0.00020113410956
                   +1 :               0.00058686326270
                3d
                   -2 :              -0.00001991865582
                   -1 :              -0.00002034868272
                   +0 :              -0.00000262729925
                   +1 :              -0.00002944502825
                   +2 :               0.00000901432719
              7 vec=    -0.419351    -11.736232      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001177365234
                2s
                   +0 :               0.00023979911897
                3s
                   +0 :              -0.00002548116454
                2p
                   -1 :              -0.00020089195876
                   +0 :               0.00009106648966
                   +1 :               0.00046982649726
                3p
                   -1 :               0.00016515158334
                   +0 :               0.00003820106379
                   +1 :              -0.00019703160661
                3d
                   -2 :              -0.00001155431059
                   -1 :               0.00001976686838
                   +0 :               0.00002297449368
                   +1 :               0.00000363944285
                   +2 :               0.00000141100305
              8 vec=     7.360812     10.723163      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00000782975790
                2s
                   +0 :               0.00034404228300
                3s
                   +0 :               0.00014111675935
                2p
                   -1 :               0.00023984403655
                   +0 :              -0.00000668526737
                   +1 :              -0.00016068009591
                3p
                   -1 :               0.00021652358392
                   +0 :               0.00010885590903
                   +1 :               0.00035266336410
                3d
                   -2 :               0.00005449595668
                   -1 :               0.00002203888151
                   +0 :              -0.00001225385226
                   +1 :               0.00002133939769
                   +2 :              -0.00001717651924
              9 vec=    -8.199513     10.723163      4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00000190276671
                2s
                   +0 :               0.00009512761657
                3s
                   +0 :               0.00006952048535
                2p
                   -1 :               0.00006366044000
                   +0 :              -0.00005148557155
                   +1 :               0.00012164068441
                3p
                   -1 :               0.00010278520050
                   +0 :               0.00004596917611
                   +1 :              -0.00020093908986
                3d
                   -2 :              -0.00002522616595
                   -1 :               0.00001746207181
                   +0 :              -0.00002945981814
                   +1 :               0.00000764101200
                   +2 :              -0.00000426376350
             10 vec=    -0.419351     15.215042      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000473799217
                2s
                   +0 :               0.00003794620979
                3s
                   +0 :               0.00001451950908
                2p
                   -1 :               0.00003379984985
                   +0 :               0.00001587725995
                   +1 :               0.00006392783594
                3p
                   -1 :               0.00004572265348
                   +0 :              -0.00001086147743
                   +1 :              -0.00007290844644
                3d
                   -2 :              -0.00000446455268
                   -1 :              -0.00000399371605
                   +0 :               0.00000269376224
                   +1 :               0.00000110964475
                   +2 :               0.00000178987170
             11 vec=    15.140975     -2.752474      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00005863041581
                2s
                   +0 :               0.00037412368429
                3s
                   +0 :              -0.00016062255263
                2p
                   -1 :              -0.00002361796950
                   +0 :               0.00016387669054
                   +1 :               0.00013077199167
                3p
                   -1 :              -0.00000550765102
                   +0 :              -0.00017071517336
                   +1 :              -0.00006229267737
                3d
                   -2 :              -0.00000527163688
                   -1 :               0.00000049943419
                   +0 :              -0.00000923263196
                   +1 :              -0.00002549211862
                   +2 :              -0.00000593850143
             12 vec=   -15.979676     -2.752474      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00002202621693
                2s
                   +0 :              -0.00013696869480
                3s
                   +0 :               0.00007899800036
                2p
                   -1 :              -0.00002069300217
                   +0 :              -0.00006774524296
                   +1 :               0.00002602777469
                3p
                   -1 :              -0.00000486982426
                   +0 :               0.00004177580782
                   +1 :              -0.00001869770574
                3d
                   -2 :              -0.00000290036701
                   -1 :              -0.00000210038355
                   +0 :              -0.00000166089298
                   +1 :              -0.00000117857518
                   +2 :               0.00000116331078
             13 vec=    15.140975      6.231284      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00000775383569
                2s
                   +0 :               0.00007367797699
                3s
                   +0 :              -0.00001023734349
                2p
                   -1 :              -0.00004303752748
                   +0 :              -0.00005714928003
                   +1 :               0.00002989979086
                3p
                   -1 :               0.00005937371119
                   +0 :               0.00003282870083
                   +1 :               0.00001184452408
                3d
                   -2 :               0.00000927762591
                   -1 :              -0.00000165382809
                   +0 :               0.00000117489559
                   +1 :               0.00000845044411
                   +2 :               0.00000409793222
             14 vec=   -15.979676      6.231284      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00000482544278
                2s
                   +0 :               0.00004808245666
                3s
                   +0 :              -0.00000899342793
                2p
                   -1 :               0.00005486394002
                   +0 :              -0.00001354862179
                   +1 :              -0.00002122600274
                3p
                   -1 :              -0.00002485766247
                   +0 :               0.00000710178109
                   +1 :               0.00000838723063
                3d
                   -2 :              -0.00000226890353
                   -1 :              -0.00000022198070
                   +0 :               0.00000081098534
                   +1 :              -0.00000012179241
                   +2 :              -0.00000591890395
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 26)  npairs=  14
              1 vec=     2.593647      1.739405      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00227188180907
                2s
                   +0 :               0.05938638045860
                3s
                   +0 :              -0.00335479044857
                2p
                   -1 :               0.01124305561900
                   +0 :               0.02398289723649
                   +1 :               0.02296412484796
                3p
                   -1 :               0.00445231299339
                   +0 :               0.00290786062582
                   +1 :              -0.00149927553554
                3d
                   -2 :               0.00096515946170
                   -1 :               0.00119756385162
                   +0 :               0.00147237506206
                   +1 :               0.00294602039302
                   +2 :               0.00048049869854
              2 vec=    -5.186516     -2.752474      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00007479280922
                2s
                   +0 :              -0.00140512297453
                3s
                   +0 :               0.00046221169087
                2p
                   -1 :              -0.00059543138601
                   +0 :               0.00159139744874
                   +1 :               0.00044542272751
                3p
                   -1 :               0.00009719602672
                   +0 :              -0.00127808547696
                   +1 :              -0.00117707967384
                3d
                   -2 :              -0.00009172330758
                   -1 :               0.00014544629905
                   +0 :              -0.00032332148433
                   +1 :               0.00013815018732
                   +2 :              -0.00004596410905
              3 vec=     2.593647     -7.244353      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00027127331431
                2s
                   +0 :              -0.00285788199942
                3s
                   +0 :               0.00097884983599
                2p
                   -1 :               0.00192478480326
                   +0 :              -0.00342202109307
                   +1 :               0.00182262916999
                3p
                   -1 :              -0.00125903807498
                   +0 :               0.00083244588775
                   +1 :              -0.00044969044561
                3d
                   -2 :              -0.00009021869002
                   -1 :               0.00003638569517
                   +0 :              -0.00010805376330
                   +1 :              -0.00021565337687
                   +2 :               0.00000903502635
              4 vec=    -5.186516      6.231284      4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00013495611657
                2s
                   +0 :              -0.00064314499477
                3s
                   +0 :               0.00051520169433
                2p
                   -1 :               0.00167992477033
                   +0 :              -0.00104629268559
                   +1 :              -0.00214922349921
                3p
                   -1 :              -0.00040524582827
                   +0 :               0.00001524806061
                   +1 :               0.00195560618816
                3d
                   -2 :               0.00004490964814
                   -1 :              -0.00010331025411
                   +0 :               0.00000433306272
                   +1 :               0.00007946950867
                   +2 :              -0.00015084372803
              5 vec=    10.373810     -2.752474      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00025976325312
                2s
                   +0 :              -0.00144305314031
                3s
                   +0 :               0.00084970340310
                2p
                   -1 :              -0.00044218027053
                   +0 :               0.00052196260721
                   +1 :              -0.00112726468325
                3p
                   -1 :               0.00034515681550
                   +0 :              -0.00050864091063
                   +1 :               0.00109219511140
                3d
                   -2 :               0.00004158749389
                   -1 :              -0.00000384352385
                   +0 :              -0.00004476026152
                   +1 :              -0.00003032882710
                   +2 :               0.00006366411905
              6 vec=     2.593647     10.723163      4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00001838443367
                2s
                   +0 :               0.00009596678465
                3s
                   +0 :               0.00013126668374
                2p
                   -1 :               0.00027346547213
                   +0 :              -0.00012757591437
                   +1 :               0.00005303030822
                3p
                   -1 :              -0.00001866747650
                   +0 :               0.00003836600144
                   +1 :              -0.00008169914061
                3d
                   -2 :               0.00000418212241
                   -1 :              -0.00000170598550
                   +0 :              -0.00001505191775
                   +1 :              -0.00000434262788
                   +2 :              -0.00000902092843
              7 vec=    10.373810      6.231284      4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00001718489440
                2s
                   +0 :               0.00004237955321
                3s
                   +0 :               0.00013485359568
                2p
                   -1 :              -0.00038471470429
                   +0 :              -0.00003842480206
                   +1 :              -0.00011150956215
                3p
                   -1 :               0.00024805519091
                   +0 :               0.00016527026346
                   +1 :               0.00019762541501
                3d
                   -2 :               0.00000101528989
                   -1 :              -0.00002243449576
                   +0 :              -0.00004082055496
                   +1 :               0.00002853432008
                   +2 :              -0.00000323595223
              8 vec=    -5.186516    -11.736232      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00007886966394
                2s
                   +0 :               0.00086458844150
                3s
                   +0 :              -0.00019950054474
                2p
                   -1 :              -0.00065632890727
                   +0 :              -0.00019886830003
                   +1 :              -0.00045170333264
                3p
                   -1 :               0.00021231827259
                   +0 :               0.00014127113526
                   +1 :               0.00018573571623
                3d
                   -2 :               0.00000150935409
                   -1 :              -0.00000870478890
                   +0 :              -0.00001917568854
                   +1 :              -0.00002370242017
                   +2 :              -0.00003283142178
              9 vec=   -12.966678      1.739405      4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00002247646767
                2s
                   +0 :               0.00014144607809
                3s
                   +0 :               0.00014732852714
                2p
                   -1 :              -0.00002855094697
                   +0 :               0.00005527087922
                   +1 :              -0.00047050055818
                3p
                   -1 :              -0.00000853971685
                   +0 :              -0.00007395265568
                   +1 :               0.00009866953765
                3d
                   -2 :              -0.00000086629811
                   -1 :              -0.00001364616261
                   +0 :              -0.00000998376058
                   +1 :               0.00002790529384
                   +2 :               0.00002152667839
             10 vec=   -12.966678     -7.244353      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00004372374914
                2s
                   +0 :              -0.00023609406653
                3s
                   +0 :               0.00012771627844
                2p
                   -1 :               0.00009290220989
                   +0 :              -0.00003779496222
                   +1 :               0.00009761660233
                3p
                   -1 :              -0.00010016539555
                   +0 :               0.00001398583962
                   +1 :              -0.00009892011851
                3d
                   -2 :               0.00000966469954
                   -1 :              -0.00000361076962
                   +0 :               0.00000179782154
                   +1 :              -0.00000015097253
                   +2 :               0.00000164752735
             11 vec=    10.373810    -11.736232      4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00000393575173
                2s
                   +0 :              -0.00001028188318
                3s
                   +0 :               0.00005056041409
                2p
                   -1 :               0.00018619252686
                   +0 :              -0.00006229701562
                   +1 :              -0.00004571581586
                3p
                   -1 :              -0.00023292160811
                   +0 :               0.00003603388795
                   +1 :               0.00006806004596
                3d
                   -2 :              -0.00001959509759
                   -1 :              -0.00000694353687
                   +0 :              -0.00000597890733
                   +1 :               0.00000162121538
                   +2 :              -0.00001910153991
             12 vec=    -5.186516     15.215042      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00000168227461
                2s
                   +0 :               0.00000777575673
                3s
                   +0 :               0.00001931572890
                2p
                   -1 :              -0.00013942404624
                   +0 :              -0.00005129136923
                   +1 :              -0.00005983494934
                3p
                   -1 :               0.00015901167749
                   +0 :               0.00002278469466
                   +1 :               0.00003220401911
                3d
                   -2 :              -0.00000404589712
                   -1 :              -0.00000095920457
                   +0 :              -0.00000917428418
                   +1 :              -0.00000256792688
                   +2 :              -0.00000708252255
             13 vec=     2.593647    -16.228111      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00001102530551
                2s
                   +0 :               0.00007708977329
                3s
                   +0 :              -0.00003678711370
                2p
                   -1 :              -0.00004211424520
                   +0 :               0.00002648692884
                   +1 :              -0.00003405385293
                3p
                   -1 :               0.00000347737629
                   +0 :              -0.00004045766531
                   +1 :               0.00003592345120
                3d
                   -2 :              -0.00000405081299
                   -1 :               0.00000684173356
                   +0 :              -0.00000593078165
                   +1 :               0.00000524760885
                   +2 :               0.00000535743989
             14 vec=   -12.966678     10.723163      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00000006579904
                2s
                   +0 :               0.00001893489132
                3s
                   +0 :               0.00001265516881
                2p
                   -1 :              -0.00002365067219
                   +0 :              -0.00005666463220
                   +1 :              -0.00007101505313
                3p
                   -1 :               0.00003624341994
                   +0 :               0.00003211705862
                   +1 :               0.00003366051414
                3d
                   -2 :              -0.00000319460512
                   -1 :               0.00000039701156
                   +0 :               0.00000285485901
                   +1 :               0.00000225479066
                   +2 :               0.00000399375177
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 27)  npairs=  14
              1 vec=    -2.802933      1.376012      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00239563079913
                2s
                   +0 :               0.05245955660761
                3s
                   +0 :              -0.00366645835087
                2p
                   -1 :               0.00717181436655
                   +0 :               0.02526971445609
                   +1 :              -0.02402489377656
                3p
                   -1 :               0.00210868844939
                   +0 :              -0.00036499256718
                   +1 :               0.00268546016796
                3d
                   -2 :              -0.00070969576664
                   -1 :               0.00075037788217
                   +0 :               0.00097135430101
                   +1 :              -0.00289460316597
                   +2 :               0.00112993988922
              2 vec=     4.977229     -3.115867      4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00226345483318
                2s
                   +0 :               0.01616386916998
                3s
                   +0 :              -0.00761116260451
                2p
                   -1 :              -0.00866434669285
                   +0 :               0.00590283124801
                   +1 :               0.01260663501974
                3p
                   -1 :               0.00593748450274
                   +0 :              -0.00457119210153
                   +1 :              -0.00917424269160
                3d
                   -2 :               0.00068427060583
                   -1 :               0.00028618495711
                   +0 :               0.00035935208374
                   +1 :              -0.00043520326805
                   +2 :              -0.00034463570330
              3 vec=     4.977229      5.867891      4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00009767025653
                2s
                   +0 :               0.00083250995281
                3s
                   +0 :               0.00003754481060
                2p
                   -1 :               0.00524204555854
                   +0 :              -0.00267136471704
                   +1 :               0.00147874119578
                3p
                   -1 :              -0.00204148255305
                   +0 :               0.00052130966266
                   +1 :              -0.00045221021266
                3d
                   -2 :               0.00006176738951
                   -1 :              -0.00009499994384
                   +0 :              -0.00012478365137
                   +1 :              -0.00011315687071
                   +2 :              -0.00004029916715
              4 vec=    -2.802933     -7.607746      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00015236016006
                2s
                   +0 :               0.00099031531381
                3s
                   +0 :              -0.00014249070193
                2p
                   -1 :              -0.00112621113990
                   +0 :              -0.00185404110717
                   +1 :              -0.00187419169281
                3p
                   -1 :              -0.00084035417197
                   +0 :               0.00051193098136
                   +1 :               0.00031775124020
                3d
                   -2 :               0.00011952302372
                   -1 :               0.00004027639361
                   +0 :              -0.00014256751838
                   +1 :              -0.00000131429080
                   +2 :              -0.00017089232353
              5 vec=    -2.802933     10.359770      4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00004408641729
                2s
                   +0 :               0.00061917469841
                3s
                   +0 :              -0.00017375788142
                2p
                   -1 :               0.00032003378135
                   +0 :              -0.00016216495779
                   +1 :              -0.00076060700460
                3p
                   -1 :              -0.00010804797207
                   +0 :               0.00007048981059
                   +1 :               0.00068758274199
                3d
                   -2 :               0.00006731149686
                   -1 :              -0.00001517080835
                   +0 :               0.00005120290104
                   +1 :               0.00003853616805
                   +2 :               0.00002135289323
              6 vec=   -10.583096     -3.115867      4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00008382043250
                2s
                   +0 :               0.00057577840078
                3s
                   +0 :              -0.00026714303024
                2p
                   -1 :              -0.00075583284878
                   +0 :              -0.00032915245752
                   +1 :              -0.00047773679969
                3p
                   -1 :               0.00066797908214
                   +0 :               0.00014737166663
                   +1 :               0.00052309892462
                3d
                   -2 :              -0.00002756226065
                   -1 :               0.00000817911139
                   +0 :               0.00003483022736
                   +1 :               0.00000683738370
                   +2 :              -0.00006147693555
              7 vec=   -10.583096      5.867891      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00000354346286
                2s
                   +0 :               0.00020033997906
                3s
                   +0 :               0.00000449174052
                2p
                   -1 :              -0.00003675829025
                   +0 :               0.00027564742118
                   +1 :               0.00017961732779
                3p
                   -1 :               0.00014142542816
                   +0 :              -0.00015498207606
                   +1 :              -0.00021958543397
                3d
                   -2 :               0.00003111821454
                   -1 :              -0.00003501638257
                   +0 :              -0.00000832754337
                   +1 :               0.00001198395398
                   +2 :               0.00000255711440
              8 vec=    12.757392      1.376012      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00001256147533
                2s
                   +0 :               0.00032258122844
                3s
                   +0 :               0.00006619479966
                2p
                   -1 :               0.00009158526710
                   +0 :               0.00009610776645
                   +1 :               0.00012555271928
                3p
                   -1 :              -0.00007025298752
                   +0 :              -0.00006350260604
                   +1 :               0.00020475831463
                3d
                   -2 :               0.00000171446200
                   -1 :               0.00001124298018
                   +0 :              -0.00002556347139
                   +1 :              -0.00001445876806
                   +2 :               0.00004161651746
              9 vec=     4.977229    -12.099625      4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00000118364177
                2s
                   +0 :               0.00005689280077
                3s
                   +0 :               0.00003064025236
                2p
                   -1 :              -0.00018081662492
                   +0 :              -0.00014739399641
                   +1 :              -0.00014405458809
                3p
                   -1 :               0.00009614007394
                   +0 :               0.00009973971958
                   +1 :               0.00011980279957
                3d
                   -2 :               0.00001720991495
                   -1 :              -0.00000177773756
                   +0 :              -0.00000363923381
                   +1 :               0.00000761236270
                   +2 :               0.00000830421212
             10 vec=    12.757392     -7.607746      4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00003286205545
                2s
                   +0 :               0.00020540387587
                3s
                   +0 :              -0.00005546869614
                2p
                   -1 :              -0.00012333775427
                   +0 :               0.00006980038584
                   +1 :               0.00013780997508
                3p
                   -1 :               0.00005046907490
                   +0 :              -0.00007157043279
                   +1 :              -0.00005687617657
                3d
                   -2 :              -0.00001893058705
                   -1 :               0.00001096118875
                   +0 :              -0.00001277375607
                   +1 :              -0.00000288669993
                   +2 :               0.00000238357169
             11 vec=     4.977229     14.851649      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000876385124
                2s
                   +0 :               0.00007353480854
                3s
                   +0 :               0.00000671537880
                2p
                   -1 :               0.00005687347697
                   +0 :              -0.00003954135298
                   +1 :              -0.00002096675098
                3p
                   -1 :               0.00001711249559
                   +0 :               0.00002005967484
                   +1 :               0.00000771987638
                3d
                   -2 :              -0.00000653258009
                   -1 :               0.00000664879045
                   +0 :              -0.00001078132171
                   +1 :              -0.00000470036804
                   +2 :              -0.00000055673300
             12 vec=   -10.583096    -12.099625      4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00001868448338
                2s
                   +0 :              -0.00010718380852
                3s
                   +0 :               0.00005768967054
                2p
                   -1 :               0.00011669390226
                   +0 :               0.00000399602646
                   +1 :               0.00000503481615
                3p
                   -1 :              -0.00008728613710
                   +0 :              -0.00003118056596
                   +1 :              -0.00002147149365
                3d
                   -2 :               0.00000295196421
                   -1 :              -0.00000158858883
                   +0 :              -0.00000726496646
                   +1 :               0.00000302280634
                   +2 :              -0.00000110391053
             13 vec=    12.757392     10.359770      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00000417546358
                2s
                   +0 :               0.00003816804413
                3s
                   +0 :              -0.00000498255680
                2p
                   -1 :               0.00004940908009
                   +0 :              -0.00009586666854
                   +1 :              -0.00002194646069
                3p
                   -1 :              -0.00004849870787
                   +0 :               0.00007049042953
                   +1 :               0.00003943647693
                3d
                   -2 :               0.00000515936165
                   -1 :              -0.00000337126956
                   +0 :               0.00000392967053
                   +1 :               0.00000117609607
                   +2 :               0.00000053073279
             14 vec=    -2.802933    -16.591504      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00000275942461
                2s
                   +0 :               0.00001845922854
                3s
                   +0 :              -0.00000544170858
                2p
                   -1 :              -0.00002521244568
                   +0 :               0.00004025178887
                   +1 :               0.00007971148690
                3p
                   -1 :               0.00001160912956
                   +0 :              -0.00005756024195
                   +1 :              -0.00003253886922
                3d
                   -2 :               0.00000032103203
                   -1 :              -0.00000048100377
                   +0 :              -0.00000246525646
                   +1 :              -0.00000001408752
                   +2 :               0.00000183814118
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 28)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00032608195637
                2s
                   +0 :              -0.00323151901782
                3s
                   +0 :               0.00054562153467
                2p
                   -1 :               0.00010353140375
                   +0 :               0.00244300964206
                   +1 :              -0.00249548492366
                3p
                   -1 :               0.00007372194263
                   +0 :              -0.00050205663775
                   +1 :              -0.00015725953210
                3d
                   -2 :               0.00003426042015
                   -1 :              -0.00002017593466
                   +0 :              -0.00000164734284
                   +1 :               0.00018699520885
                   +2 :              -0.00010623831469
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00058014966254
                2s
                   +0 :              -0.00563981703687
                3s
                   +0 :               0.00088419188704
                2p
                   -1 :              -0.00440393629670
                   +0 :               0.00747049248651
                   +1 :               0.00072349781397
                3p
                   -1 :               0.00076385807887
                   +0 :              -0.00139509346501
                   +1 :              -0.00041688362134
                3d
                   -2 :               0.00005658534420
                   -1 :               0.00030428852029
                   +0 :              -0.00019166666879
                   +1 :               0.00001657545246
                   +2 :               0.00018642527206
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00017920793819
                2s
                   +0 :              -0.00152655715303
                3s
                   +0 :              -0.00012676511102
                2p
                   -1 :               0.00211572731061
                   +0 :               0.00059730259868
                   +1 :              -0.00072979465723
                3p
                   -1 :              -0.00052190936579
                   +0 :               0.00102605428338
                   +1 :               0.00159054825625
                3d
                   -2 :              -0.00004557429885
                   -1 :              -0.00014717362082
                   +0 :              -0.00004448807964
                   +1 :              -0.00018616573884
                   +2 :              -0.00000227095156
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001357379861
                2s
                   +0 :              -0.00005151762392
                3s
                   +0 :              -0.00003188121710
                2p
                   -1 :               0.00042336264921
                   +0 :              -0.00039669056353
                   +1 :              -0.00033593120062
                3p
                   -1 :              -0.00053815845015
                   +0 :               0.00018333513761
                   +1 :               0.00022428315375
                3d
                   -2 :              -0.00000855060511
                   -1 :               0.00002517177367
                   +0 :              -0.00002891704653
                   +1 :              -0.00002271469653
                   +2 :               0.00003670488456
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000250937062
                2s
                   +0 :              -0.00014539071101
                3s
                   +0 :              -0.00006180953526
                2p
                   -1 :               0.00031003532423
                   +0 :              -0.00040456692877
                   +1 :              -0.00013309420817
                3p
                   -1 :              -0.00018183241283
                   +0 :               0.00036438332228
                   +1 :               0.00003290776979
                3d
                   -2 :               0.00000671129595
                   -1 :               0.00000691642891
                   +0 :              -0.00003025754621
                   +1 :              -0.00002094185067
                   +2 :              -0.00000673066590
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001189951697
                2s
                   +0 :              -0.00039631057552
                3s
                   +0 :               0.00004209004264
                2p
                   -1 :              -0.00001654122108
                   +0 :              -0.00040528488421
                   +1 :               0.00039753315674
                3p
                   -1 :              -0.00011595353123
                   +0 :               0.00016371086209
                   +1 :              -0.00013774602732
                3d
                   -2 :               0.00002682229606
                   -1 :               0.00000506041837
                   +0 :               0.00003394319224
                   +1 :               0.00002315246332
                   +2 :               0.00001193986734
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00002624321674
                2s
                   +0 :               0.00013604872315
                3s
                   +0 :              -0.00010987339381
                2p
                   -1 :              -0.00009364326507
                   +0 :              -0.00000956428013
                   +1 :               0.00020732900620
                3p
                   -1 :               0.00015827150533
                   +0 :               0.00002364399848
                   +1 :              -0.00019575348908
                3d
                   -2 :               0.00001581709469
                   -1 :              -0.00001581842590
                   +0 :               0.00002520826415
                   +1 :               0.00000277899459
                   +2 :               0.00000929922288
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000808094880
                2s
                   +0 :              -0.00000526426782
                3s
                   +0 :              -0.00002241369332
                2p
                   -1 :              -0.00004933563727
                   +0 :               0.00010867411000
                   +1 :              -0.00001911713023
                3p
                   -1 :               0.00008036144506
                   +0 :              -0.00007734971026
                   +1 :              -0.00000438066729
                3d
                   -2 :              -0.00000011270088
                   -1 :               0.00000627366119
                   +0 :               0.00000002649907
                   +1 :              -0.00000415284974
                   +2 :              -0.00000248460706
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000716137433
                2s
                   +0 :              -0.00003965682870
                3s
                   +0 :               0.00001596539398
                2p
                   -1 :               0.00001302589846
                   +0 :              -0.00003196314518
                   +1 :              -0.00010196272207
                3p
                   -1 :              -0.00002170754868
                   +0 :               0.00001056581185
                   +1 :               0.00006982076164
                3d
                   -2 :              -0.00000085003709
                   -1 :               0.00000032921680
                   +0 :               0.00000137688619
                   +1 :              -0.00000564240877
                   +2 :               0.00000027078151
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000072783513
                2s
                   +0 :               0.00000614118046
                3s
                   +0 :              -0.00002863362717
                2p
                   -1 :              -0.00010038638657
                   +0 :              -0.00009071366090
                   +1 :              -0.00003489675513
                3p
                   -1 :               0.00003634747754
                   +0 :               0.00005577375638
                   +1 :               0.00000332541034
                3d
                   -2 :               0.00000002056911
                   -1 :              -0.00000041854044
                   +0 :              -0.00001086806217
                   +1 :               0.00000315123414
                   +2 :               0.00000402646671
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001828175188
                2s
                   +0 :              -0.00018931724650
                3s
                   +0 :               0.00005796164501
                2p
                   -1 :               0.00012667594416
                   +0 :               0.00015222574449
                   +1 :               0.00011748988650
                3p
                   -1 :              -0.00011958466098
                   +0 :              -0.00011332082561
                   +1 :              -0.00000256921711
                3d
                   -2 :               0.00002214467854
                   -1 :               0.00000277972577
                   +0 :               0.00000738310367
                   +1 :               0.00002102975846
                   +2 :              -0.00000418694341
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000313838850
                2s
                   +0 :              -0.00006855668559
                3s
                   +0 :               0.00000310763434
                2p
                   -1 :               0.00005443592981
                   +0 :               0.00001292054787
                   +1 :               0.00023090279602
                3p
                   -1 :              -0.00005072049806
                   +0 :               0.00000400172617
                   +1 :              -0.00015121838436
                3d
                   -2 :               0.00000298340398
                   -1 :               0.00000268907222
                   +0 :               0.00000058373303
                   +1 :              -0.00000158606949
                   +2 :               0.00000652054512
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000527260476
                2s
                   +0 :               0.00009759720918
                3s
                   +0 :               0.00000063193046
                2p
                   -1 :               0.00005803237667
                   +0 :               0.00007742356716
                   +1 :              -0.00007034129351
                3p
                   -1 :              -0.00007787890607
                   +0 :               0.00002561904434
                   +1 :               0.00007218019382
                3d
                   -2 :              -0.00000663281190
                   -1 :              -0.00000675440438
                   +0 :              -0.00000331163546
                   +1 :               0.00000139795979
                   +2 :               0.00000132100868
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00003426807211
                2s
                   +0 :               0.00028611388829
                3s
                   +0 :              -0.00007601781288
                2p
                   -1 :              -0.00004834881527
                   +0 :               0.00015644227047
                   +1 :              -0.00002107339311
                3p
                   -1 :               0.00002809309813
                   +0 :              -0.00005180068283
                   +1 :               0.00005559552394
                3d
                   -2 :               0.00000509827520
                   -1 :               0.00000057295955
                   +0 :              -0.00000444937333
                   +1 :               0.00000436552560
                   +2 :               0.00000453631680
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00003577616614
                2s
                   +0 :               0.00031500271558
                3s
                   +0 :              -0.00006099002734
                2p
                   -1 :               0.00005899962541
                   +0 :               0.00015804570868
                   +1 :              -0.00006173111070
                3p
                   -1 :               0.00000634841094
                   +0 :               0.00002705245797
                   +1 :               0.00002856956182
                3d
                   -2 :               0.00000436974465
                   -1 :               0.00000950408025
                   +0 :               0.00000776571730
                   +1 :               0.00000221690389
                   +2 :              -0.00000039933749
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 29)  npairs=  14
              1 vec=    -0.418832      0.000150     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00034455087279
                2s
                   +0 :              -0.00038821264475
                3s
                   +0 :               0.00127682494947
                2p
                   -1 :               0.00226012121658
                   +0 :               0.00392726886290
                   +1 :               0.00061022808151
                3p
                   -1 :              -0.00124573957818
                   +0 :              -0.00372535000814
                   +1 :              -0.00044946571057
                3d
                   -2 :              -0.00009572107733
                   -1 :              -0.00014098197713
                   +0 :               0.00075755505519
                   +1 :              -0.00002004375851
                   +2 :              -0.00007243422817
              2 vec=     7.361331     -4.491729     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00024385891768
                2s
                   +0 :               0.00102105816498
                3s
                   +0 :              -0.00083819134265
                2p
                   -1 :               0.00020971446527
                   +0 :              -0.00122307207277
                   +1 :              -0.00155713086115
                3p
                   -1 :               0.00003932235945
                   +0 :               0.00095711839540
                   +1 :               0.00093790500224
                3d
                   -2 :              -0.00004526089455
                   -1 :               0.00004207001111
                   +0 :              -0.00004909347274
                   +1 :              -0.00001476959834
                   +2 :               0.00002009225152
              3 vec=     7.361331      4.492029     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00005634630801
                2s
                   +0 :               0.00016717746465
                3s
                   +0 :              -0.00015437276767
                2p
                   -1 :               0.00000215763879
                   +0 :               0.00051585300273
                   +1 :              -0.00060543931901
                3p
                   -1 :              -0.00008408417086
                   +0 :              -0.00039986201306
                   +1 :               0.00036885385063
                3d
                   -2 :              -0.00000482420477
                   -1 :               0.00003143672110
                   +0 :               0.00004218982641
                   +1 :              -0.00003290247770
                   +2 :               0.00004748745681
              4 vec=    -0.418832     -8.983608     -8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00006832993338
                2s
                   +0 :              -0.00052151450514
                3s
                   +0 :               0.00027468772288
                2p
                   -1 :               0.00082387508438
                   +0 :              -0.00017214063236
                   +1 :               0.00031369328904
                3p
                   -1 :              -0.00036065153153
                   +0 :               0.00006346231086
                   +1 :              -0.00030464454370
                3d
                   -2 :              -0.00000687951582
                   -1 :               0.00001570906979
                   +0 :              -0.00002446866515
                   +1 :               0.00000638154884
                   +2 :              -0.00003549011664
              5 vec=    -0.418832      8.983908     -8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00002427789333
                2s
                   +0 :              -0.00037207652497
                3s
                   +0 :              -0.00015208151559
                2p
                   -1 :              -0.00015611965349
                   +0 :              -0.00046653434112
                   +1 :               0.00009766311911
                3p
                   -1 :              -0.00025560043668
                   +0 :               0.00011646640169
                   +1 :              -0.00006133393582
                3d
                   -2 :              -0.00001164425903
                   -1 :               0.00002039609629
                   +0 :               0.00004052682339
                   +1 :               0.00001193902961
                   +2 :               0.00002543671731
              6 vec=    -8.198995     -4.491729     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00000984947285
                2s
                   +0 :              -0.00057386590724
                3s
                   +0 :               0.00003332839218
                2p
                   -1 :               0.00048475861413
                   +0 :               0.00063456688017
                   +1 :               0.00074787631556
                3p
                   -1 :              -0.00027815358997
                   +0 :              -0.00060343593938
                   +1 :              -0.00027002170331
                3d
                   -2 :               0.00000363307315
                   -1 :               0.00000279220789
                   +0 :               0.00001143107944
                   +1 :               0.00000659578927
                   +2 :              -0.00003748171553
              7 vec=    -8.198995      4.492029     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00002377630033
                2s
                   +0 :              -0.00025778012287
                3s
                   +0 :               0.00005284868479
                2p
                   -1 :              -0.00068459380277
                   +0 :              -0.00038420287835
                   +1 :               0.00054373284816
                3p
                   -1 :               0.00045870520693
                   +0 :               0.00043075256973
                   +1 :              -0.00022913376018
                3d
                   -2 :              -0.00003483477844
                   -1 :               0.00001950743262
                   +0 :              -0.00006188043136
                   +1 :              -0.00000551084284
                   +2 :               0.00001782458666
              8 vec=    -0.418832      0.000150     16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000552385354
                2s
                   +0 :               0.00007155019354
                3s
                   +0 :               0.00000849178079
                2p
                   -1 :              -0.00008792807292
                   +0 :              -0.00002386930132
                   +1 :               0.00003482497617
                3p
                   -1 :               0.00009981229668
                   +0 :               0.00008989076751
                   +1 :              -0.00002552867278
                3d
                   -2 :              -0.00000619224304
                   -1 :               0.00000456044143
                   +0 :               0.00001063222552
                   +1 :               0.00000163025197
                   +2 :              -0.00000893176309
              9 vec=    15.141493      0.000150     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00000767488312
                2s
                   +0 :               0.00004522329543
                3s
                   +0 :              -0.00005882166295
                2p
                   -1 :               0.00004528619093
                   +0 :               0.00006517788354
                   +1 :              -0.00005552797812
                3p
                   -1 :              -0.00004369597300
                   +0 :              -0.00004670329557
                   +1 :               0.00000390569645
                3d
                   -2 :              -0.00000285187154
                   -1 :               0.00000492996609
                   +0 :               0.00000766128372
                   +1 :              -0.00000461646240
                   +2 :              -0.00000376742268
             10 vec=     7.361331    -13.475487     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000801223080
                2s
                   +0 :              -0.00008949783614
                3s
                   +0 :               0.00001100884514
                2p
                   -1 :              -0.00005206727999
                   +0 :               0.00003045191571
                   +1 :              -0.00009229186332
                3p
                   -1 :               0.00007716668688
                   +0 :               0.00000708966295
                   +1 :               0.00004418692371
                3d
                   -2 :               0.00000279912455
                   -1 :              -0.00000491389035
                   +0 :               0.00000507517146
                   +1 :               0.00000376344357
                   +2 :               0.00000493157515
             11 vec=     7.361331     13.475787     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00001380974603
                2s
                   +0 :              -0.00012210775343
                3s
                   +0 :               0.00002454022416
                2p
                   -1 :              -0.00011591659552
                   +0 :               0.00001338172965
                   +1 :              -0.00008941766651
                3p
                   -1 :               0.00002659068486
                   +0 :               0.00002197066640
                   +1 :               0.00005364012950
                3d
                   -2 :               0.00000174793663
                   -1 :               0.00000223393684
                   +0 :              -0.00000100386666
                   +1 :              -0.00000007024304
                   +2 :               0.00000494706771
             12 vec=    -8.198995    -13.475487     -8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00001430871081
                2s
                   +0 :              -0.00010824613959
                3s
                   +0 :               0.00002182925441
                2p
                   -1 :               0.00001727336075
                   +0 :               0.00001975205480
                   +1 :              -0.00000322122167
                3p
                   -1 :              -0.00000145489841
                   +0 :               0.00002932937865
                   +1 :               0.00004250314927
                3d
                   -2 :              -0.00000165954904
                   -1 :               0.00000098550301
                   +0 :              -0.00000217250762
                   +1 :              -0.00000172797528
                   +2 :              -0.00000066629494
             13 vec=    -8.198995     13.475787     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000048652031
                2s
                   +0 :              -0.00003720903002
                3s
                   +0 :              -0.00001974704864
                2p
                   -1 :              -0.00003553088711
                   +0 :               0.00002994639287
                   +1 :               0.00001053193940
                3p
                   -1 :              -0.00002912059245
                   +0 :               0.00001028791330
                   +1 :               0.00001239361987
                3d
                   -2 :               0.00000074868195
                   -1 :               0.00000839836585
                   +0 :              -0.00000301141554
                   +1 :               0.00000058307143
                   +2 :               0.00000634671249
             14 vec=   -15.979157      0.000150     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000424933747
                2s
                   +0 :               0.00000169773063
                3s
                   +0 :              -0.00001423776067
                2p
                   -1 :               0.00003425047096
                   +0 :               0.00004894445376
                   +1 :              -0.00000776648556
                3p
                   -1 :              -0.00002252716794
                   +0 :              -0.00003752287013
                   +1 :               0.00003118102292
                3d
                   -2 :              -0.00000298525886
                   -1 :               0.00000233513850
                   +0 :               0.00000141201867
                   +1 :               0.00000179615917
                   +2 :               0.00000218450031
WF             site_B          number of pairs
WF( 16)=[O_4_2pz]  to site O ( 30)  npairs=  15
              1 vec=     4.977229      0.362644     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00033042418397
                2s
                   +0 :              -0.00253832315625
                3s
                   +0 :               0.00034691004296
                2p
                   -1 :               0.00051311649668
                   +0 :               0.00351722886183
                   +1 :              -0.00127947443715
                3p
                   -1 :               0.00125843840476
                   +0 :              -0.00056459972894
                   +1 :              -0.00056715997778
                3d
                   -2 :               0.00016803661017
                   -1 :              -0.00028214344485
                   +0 :              -0.00013813936239
                   +1 :               0.00020718767689
                   +2 :              -0.00005336350244
              2 vec=    -2.802933     -4.129235     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00030292344229
                2s
                   +0 :              -0.00347657525058
                3s
                   +0 :               0.00017816165175
                2p
                   -1 :              -0.00162893713682
                   +0 :               0.00361082393985
                   +1 :               0.00424184465758
                3p
                   -1 :               0.00142717530324
                   +0 :              -0.00034222534675
                   +1 :              -0.00098557247514
                3d
                   -2 :               0.00003598007505
                   -1 :              -0.00011082010418
                   +0 :              -0.00002422756619
                   +1 :              -0.00006763149168
                   +2 :              -0.00008724378774
              3 vec=    -2.802933      4.854523     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00029170423655
                2s
                   +0 :              -0.00279628296420
                3s
                   +0 :               0.00006291452835
                2p
                   -1 :              -0.00269640348124
                   +0 :               0.00142176509014
                   +1 :              -0.00047081441087
                3p
                   -1 :               0.00032313943860
                   +0 :               0.00101375093277
                   +1 :               0.00024336579188
                3d
                   -2 :              -0.00005462233283
                   -1 :               0.00014096116759
                   +0 :              -0.00012084083948
                   +1 :               0.00013936714720
                   +2 :               0.00005540037824
              4 vec=     4.977229     -8.621114     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00011927719077
                2s
                   +0 :              -0.00102118179064
                3s
                   +0 :               0.00046958468269
                2p
                   -1 :               0.00055872133928
                   +0 :              -0.00015808835848
                   +1 :              -0.00028458782072
                3p
                   -1 :              -0.00029186857867
                   +0 :              -0.00006519004526
                   +1 :               0.00044450292852
                3d
                   -2 :              -0.00005086348456
                   -1 :               0.00004248513533
                   +0 :              -0.00000152302593
                   +1 :              -0.00006599149508
                   +2 :               0.00002195169381
              5 vec=     4.977229      9.346402     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00004698435544
                2s
                   +0 :              -0.00058975369368
                3s
                   +0 :               0.00007505761857
                2p
                   -1 :              -0.00018641007058
                   +0 :               0.00000958154603
                   +1 :              -0.00023533018250
                3p
                   -1 :              -0.00004918250740
                   +0 :              -0.00006082472979
                   +1 :              -0.00002522202128
                3d
                   -2 :              -0.00001363235057
                   -1 :              -0.00002003542233
                   +0 :               0.00001245697913
                   +1 :               0.00001519721479
                   +2 :               0.00000259754078
              6 vec=   -10.583096      0.362644     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00000958758746
                2s
                   +0 :              -0.00019047787044
                3s
                   +0 :               0.00000583163496
                2p
                   -1 :              -0.00026439328274
                   +0 :              -0.00025987432426
                   +1 :               0.00003549909361
                3p
                   -1 :               0.00016616079257
                   +0 :               0.00020889072657
                   +1 :               0.00003385537750
                3d
                   -2 :              -0.00001889924137
                   -1 :               0.00000689136791
                   +0 :              -0.00004148677137
                   +1 :               0.00000653324902
                   +2 :               0.00001331510797
              7 vec=    12.757392     -4.129235     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00003365239115
                2s
                   +0 :               0.00019931193860
                3s
                   +0 :              -0.00015363218655
                2p
                   -1 :              -0.00024373886458
                   +0 :              -0.00012690688897
                   +1 :               0.00016991862036
                3p
                   -1 :               0.00017119969657
                   +0 :               0.00013823849544
                   +1 :              -0.00022278996743
                3d
                   -2 :              -0.00000852163873
                   -1 :              -0.00000314546966
                   +0 :              -0.00000370467690
                   +1 :               0.00001640289341
                   +2 :              -0.00000657943474
              8 vec=    -2.802933    -13.112993     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00001092067304
                2s
                   +0 :              -0.00013880661886
                3s
                   +0 :               0.00001946524812
                2p
                   -1 :               0.00023571758616
                   +0 :               0.00010772451556
                   +1 :               0.00007176989073
                3p
                   -1 :              -0.00012134469173
                   +0 :              -0.00005570458896
                   +1 :              -0.00002747588202
                3d
                   -2 :               0.00000032075695
                   -1 :              -0.00000126900375
                   +0 :               0.00000994872556
                   +1 :               0.00000485863208
                   +2 :              -0.00000510390565
              9 vec=    12.757392      4.854523     -8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00000528740490
                2s
                   +0 :              -0.00003645872049
                3s
                   +0 :               0.00001043822905
                2p
                   -1 :              -0.00010443708926
                   +0 :              -0.00002890862368
                   +1 :               0.00000800037537
                3p
                   -1 :               0.00009825205101
                   +0 :               0.00002521057974
                   +1 :              -0.00001428200088
                3d
                   -2 :               0.00000369405607
                   -1 :               0.00000341127797
                   +0 :              -0.00000235106124
                   +1 :               0.00000027080297
                   +2 :              -0.00000458277985
             10 vec=   -10.583096     -8.621114     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00001951464554
                2s
                   +0 :               0.00008845432987
                3s
                   +0 :              -0.00009115714696
                2p
                   -1 :               0.00003125897566
                   +0 :               0.00008280069304
                   +1 :               0.00000974668904
                3p
                   -1 :               0.00005874790562
                   +0 :              -0.00006299783364
                   +1 :               0.00000982571746
                3d
                   -2 :              -0.00000614518441
                   -1 :               0.00000912901523
                   +0 :              -0.00000395697695
                   +1 :               0.00000882774655
                   +2 :               0.00000448560537
             11 vec=    -2.802933     13.838281     -8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00000458027109
                2s
                   +0 :               0.00001168423111
                3s
                   +0 :              -0.00002996270339
                2p
                   -1 :              -0.00005507194314
                   +0 :              -0.00013823860222
                   +1 :              -0.00001120755227
                3p
                   -1 :              -0.00000809211935
                   +0 :               0.00012057470579
                   +1 :               0.00002939598521
                3d
                   -2 :               0.00000358154802
                   -1 :               0.00000428386855
                   +0 :              -0.00000793433319
                   +1 :              -0.00000625957118
                   +2 :              -0.00000055855937
             12 vec=   -10.583096      9.346402     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00000788435038
                2s
                   +0 :              -0.00005770142039
                3s
                   +0 :              -0.00000685717404
                2p
                   -1 :              -0.00004283426737
                   +0 :              -0.00005168623499
                   +1 :               0.00007869470285
                3p
                   -1 :               0.00000364800893
                   +0 :               0.00004836851971
                   +1 :              -0.00004012310843
                3d
                   -2 :               0.00000291409654
                   -1 :              -0.00000004538545
                   +0 :               0.00000030876497
                   +1 :              -0.00000273003074
                   +2 :               0.00000509784402
             13 vec=     4.977229      0.362644     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00004038386839
                2s
                   +0 :               0.00027358080749
                3s
                   +0 :              -0.00012200265404
                2p
                   -1 :               0.00000435281871
                   +0 :               0.00025842966673
                   +1 :               0.00018042381690
                3p
                   -1 :               0.00000573141801
                   +0 :              -0.00016637077627
                   +1 :              -0.00012185977437
                3d
                   -2 :               0.00000155638872
                   -1 :               0.00000182752724
                   +0 :              -0.00000761462627
                   +1 :              -0.00000520295325
                   +2 :               0.00000210366400
             14 vec=    -2.802933     -4.129235     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00002907016918
                2s
                   +0 :               0.00029941242019
                3s
                   +0 :              -0.00004985419208
                2p
                   -1 :               0.00000020087502
                   +0 :               0.00021304984876
                   +1 :               0.00009032389569
                3p
                   -1 :               0.00000090118504
                   +0 :              -0.00005845644416
                   +1 :              -0.00003623584878
                3d
                   -2 :              -0.00000480004407
                   -1 :               0.00000003298444
                   +0 :               0.00000049888493
                   +1 :               0.00000172526023
                   +2 :              -0.00000053023605
             15 vec=    -2.802933      4.854523     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00001986685143
                2s
                   +0 :               0.00019853220251
                3s
                   +0 :              -0.00001690782372
                2p
                   -1 :               0.00001067564948
                   +0 :               0.00012305850177
                   +1 :              -0.00001818738741
                3p
                   -1 :              -0.00000698101311
                   +0 :               0.00002553896060
                   +1 :              -0.00004909052869
                3d
                   -2 :               0.00000149722696
                   -1 :              -0.00000198851766
                   +0 :               0.00000831972588
                   +1 :              -0.00001133044156
                   +2 :               0.00000302599103
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al(  1)  npairs=  13
              1 vec=     2.383842     -1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00034749081223
                2p
                   -1 :              -0.00015055650832
                   +0 :               0.00005998201921
                   +1 :              -0.00013728821575
                3s
                   +0 :               0.00065398826611
                4s
                   +0 :              -0.00016241746976
                3p
                   -1 :               0.00110297023262
                   +0 :              -0.00005950835548
                   +1 :              -0.00026500800397
                4p
                   -1 :              -0.00035184968365
                   +0 :               0.00002954198703
                   +1 :              -0.00008420690594
                3d
                   -2 :              -0.00018563232154
                   -1 :              -0.00011866880020
                   +0 :              -0.00014197832450
                   +1 :               0.00021147310371
                   +2 :               0.00054704543046
              2 vec=    -5.396321      3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00020003947040
                2p
                   -1 :              -0.00001767815757
                   +0 :              -0.00016719660792
                   +1 :               0.00010772037386
                3s
                   +0 :              -0.00100891928016
                4s
                   +0 :               0.00057776389439
                3p
                   -1 :              -0.00004178604706
                   +0 :               0.00122865040416
                   +1 :              -0.00057290731647
                4p
                   -1 :               0.00011491231301
                   +0 :              -0.00039878127830
                   +1 :               0.00022524051652
                3d
                   -2 :              -0.00023895596599
                   -1 :               0.00007326609776
                   +0 :              -0.00038832704274
                   +1 :              -0.00003571908224
                   +2 :              -0.00025543097230
              3 vec=    -5.396321     -5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00001888219528
                2p
                   -1 :               0.00015886752681
                   +0 :               0.00003441299031
                   +1 :              -0.00007308353573
                3s
                   +0 :              -0.00002299284238
                4s
                   +0 :               0.00014397360383
                3p
                   -1 :              -0.00099674762890
                   +0 :              -0.00025587687763
                   +1 :               0.00034978962196
                4p
                   -1 :               0.00035312559603
                   +0 :               0.00004330880099
                   +1 :              -0.00020948296563
                3d
                   -2 :               0.00024464485657
                   -1 :               0.00015039389922
                   +0 :              -0.00000161706224
                   +1 :               0.00021220858161
                   +2 :               0.00012806101483
              4 vec=     2.383842      7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00011333961190
                2p
                   -1 :               0.00005044749154
                   +0 :               0.00000415738409
                   +1 :              -0.00007047082643
                3s
                   +0 :               0.00186747147224
                4s
                   +0 :              -0.00027298526632
                3p
                   -1 :               0.00136341859409
                   +0 :              -0.00048470413557
                   +1 :               0.00032811688756
                4p
                   -1 :              -0.00009507613856
                   +0 :               0.00007613166077
                   +1 :              -0.00013569044534
                3d
                   -2 :              -0.00005867705694
                   -1 :              -0.00016484032599
                   +0 :              -0.00023918112958
                   +1 :              -0.00013254613268
                   +2 :              -0.00031267059630
              5 vec=     2.383842    -10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00001935536470
                2p
                   -1 :               0.00006656612185
                   +0 :              -0.00001255022740
                   +1 :               0.00015826529676
                3s
                   +0 :               0.00000537253092
                4s
                   +0 :              -0.00012115337473
                3p
                   -1 :              -0.00047065135930
                   +0 :               0.00008816827258
                   +1 :              -0.00088176970696
                4p
                   -1 :               0.00020218972332
                   +0 :              -0.00001458749657
                   +1 :               0.00015908669582
                3d
                   -2 :               0.00019034401219
                   -1 :               0.00005147685389
                   +0 :               0.00002980734529
                   +1 :               0.00022268401674
                   +2 :              -0.00013222888720
              6 vec=    10.164004      3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00023051302173
                2p
                   -1 :              -0.00004263066340
                   +0 :               0.00006327439068
                   +1 :              -0.00000785252508
                3s
                   +0 :               0.00066857820831
                4s
                   +0 :              -0.00017126406751
                3p
                   -1 :               0.00013123264172
                   +0 :              -0.00025596926257
                   +1 :              -0.00002247393740
                4p
                   -1 :              -0.00002153525212
                   +0 :               0.00005177242548
                   +1 :               0.00004727083788
                3d
                   -2 :              -0.00008356062240
                   -1 :              -0.00005261096551
                   +0 :              -0.00001452439167
                   +1 :               0.00001478248261
                   +2 :              -0.00009852076169
              7 vec=     2.383842     -1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00008755950932
                2p
                   -1 :              -0.00001774386503
                   +0 :               0.00003074970434
                   +1 :              -0.00003373088964
                3s
                   +0 :              -0.00024065243985
                4s
                   +0 :               0.00009115277284
                3p
                   -1 :               0.00006421181023
                   +0 :              -0.00008257198815
                   +1 :               0.00007186923242
                4p
                   -1 :               0.00003013822709
                   +0 :               0.00002908745532
                   +1 :              -0.00000119328516
                3d
                   -2 :              -0.00005587118005
                   -1 :              -0.00000360988819
                   +0 :               0.00000646956430
                   +1 :               0.00002002079127
                   +2 :               0.00009880638108
              8 vec=    10.164004     -5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00024049783345
                2p
                   -1 :              -0.00000617757780
                   +0 :              -0.00012328173096
                   +1 :               0.00014371309663
                3s
                   +0 :              -0.00086666178571
                4s
                   +0 :               0.00019571935947
                3p
                   -1 :              -0.00000600605580
                   +0 :               0.00060184655828
                   +1 :              -0.00085812680028
                4p
                   -1 :               0.00008576350197
                   +0 :              -0.00010873869209
                   +1 :               0.00020957977799
                3d
                   -2 :               0.00010436861300
                   -1 :              -0.00011675915717
                   +0 :               0.00000228555088
                   +1 :               0.00024885646545
                   +2 :              -0.00013891126813
              9 vec=    -5.396321      3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00008167470214
                2p
                   -1 :              -0.00002058199126
                   +0 :               0.00002864138556
                   +1 :              -0.00003858196542
                3s
                   +0 :              -0.00033172371158
                4s
                   +0 :               0.00007486969043
                3p
                   -1 :               0.00013919462575
                   +0 :              -0.00010455089867
                   +1 :               0.00014375865267
                4p
                   -1 :              -0.00003461584024
                   +0 :              -0.00000872479179
                   +1 :              -0.00005460533664
                3d
                   -2 :              -0.00000323107215
                   -1 :               0.00003287332657
                   +0 :               0.00003618045186
                   +1 :               0.00001932156435
                   +2 :              -0.00001052237693
             10 vec=   -13.176483     -1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00002974454024
                2p
                   -1 :               0.00000877002747
                   +0 :              -0.00001586363185
                   +1 :              -0.00000135896205
                3s
                   +0 :              -0.00030251908462
                4s
                   +0 :               0.00008606716621
                3p
                   -1 :               0.00004022475739
                   +0 :               0.00016037623682
                   +1 :               0.00013143135911
                4p
                   -1 :               0.00000235729608
                   +0 :              -0.00004903960355
                   +1 :              -0.00003916895769
                3d
                   -2 :              -0.00004991230355
                   -1 :              -0.00003402673936
                   +0 :               0.00000201376763
                   +1 :              -0.00002236599241
                   +2 :               0.00001293620443
             11 vec=    -5.396321     12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00008420604418
                2p
                   -1 :              -0.00005684898190
                   +0 :              -0.00000416785613
                   +1 :              -0.00001063457195
                3s
                   +0 :               0.00018748090352
                4s
                   +0 :              -0.00005857063145
                3p
                   -1 :               0.00022524150710
                   +0 :               0.00010448479346
                   +1 :               0.00004473950226
                4p
                   -1 :              -0.00003805267770
                   +0 :              -0.00002697251702
                   +1 :              -0.00002202971111
                3d
                   -2 :               0.00002967562249
                   -1 :               0.00000806789355
                   +0 :              -0.00004493715247
                   +1 :              -0.00002542139956
                   +2 :              -0.00006162708029
             12 vec=    -5.396321     -5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00002181362286
                2p
                   -1 :               0.00006160578142
                   +0 :              -0.00002310494090
                   +1 :              -0.00000815109126
                3s
                   +0 :              -0.00000810961117
                4s
                   +0 :              -0.00004244156821
                3p
                   -1 :              -0.00022998668285
                   +0 :               0.00008360316191
                   +1 :               0.00001906835413
                4p
                   -1 :               0.00007661215535
                   +0 :              -0.00004005829663
                   +1 :              -0.00001109733490
                3d
                   -2 :              -0.00000399683116
                   -1 :              -0.00002488396958
                   +0 :               0.00002525632665
                   +1 :              -0.00000586673379
                   +2 :               0.00003471807224
             13 vec=     2.383842      7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00001344246855
                2p
                   -1 :               0.00001178750343
                   +0 :              -0.00002271759831
                   +1 :              -0.00002180640884
                3s
                   +0 :              -0.00011821658905
                4s
                   +0 :               0.00002372784361
                3p
                   -1 :              -0.00007397816868
                   +0 :               0.00002432257148
                   +1 :              -0.00002193730064
                4p
                   -1 :               0.00003083201207
                   +0 :              -0.00001474327825
                   +1 :              -0.00000595924616
                3d
                   -2 :              -0.00003217494421
                   -1 :              -0.00006761649464
                   +0 :               0.00002086272835
                   +1 :              -0.00002643501817
                   +2 :               0.00006869646253
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al(  2)  npairs=  14
              1 vec=     2.383842     -1.376312     -2.510723   |vec|=    3.725676
                2s
                   +0 :               0.01817110382054
                2p
                   -1 :              -0.00959452666192
                   +0 :              -0.01828726829149
                   +1 :               0.01711931938782
                3s
                   +0 :               0.05719297563885
                4s
                   +0 :               0.00591844165170
                3p
                   -1 :              -0.03337982465503
                   +0 :              -0.05321284474039
                   +1 :               0.00906892422579
                4p
                   -1 :              -0.00057875497121
                   +0 :              -0.00658109372139
                   +1 :               0.01055142565097
                3d
                   -2 :              -0.01676903438222
                   -1 :               0.02656142609602
                   +0 :               0.02070930915182
                   +1 :              -0.02689609684403
                   +2 :              -0.00468648846210
              2 vec=    -5.396321      3.115567     -2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00006834478612
                2p
                   -1 :               0.00000640206359
                   +0 :              -0.00048833939331
                   +1 :              -0.00078218531939
                3s
                   +0 :               0.00716017180473
                4s
                   +0 :               0.00005417109006
                3p
                   -1 :               0.00527651972773
                   +0 :              -0.00330363630063
                   +1 :              -0.00256791092523
                4p
                   -1 :              -0.00034374242307
                   +0 :               0.00013620337659
                   +1 :              -0.00103926316373
                3d
                   -2 :              -0.00109337641188
                   -1 :               0.00056492078571
                   +0 :               0.00000431127754
                   +1 :               0.00083142426263
                   +2 :              -0.00109521285872
              3 vec=    -5.396321     -5.868191     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00116233458833
                2p
                   -1 :               0.00108881123265
                   +0 :              -0.00046198449679
                   +1 :               0.00030950117865
                3s
                   +0 :               0.00128502261991
                4s
                   +0 :              -0.00109744781286
                3p
                   -1 :              -0.00612225579484
                   +0 :               0.00523598785003
                   +1 :              -0.00164137535888
                4p
                   -1 :               0.00103122755808
                   +0 :              -0.00069071511514
                   +1 :               0.00129593895671
                3d
                   -2 :               0.00161195638816
                   -1 :               0.00036209573185
                   +0 :              -0.00257248129629
                   +1 :              -0.00123529976925
                   +2 :              -0.00138020114765
              4 vec=     2.383842      7.607446     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00032256252122
                2p
                   -1 :              -0.00022301582379
                   +0 :               0.00030731503036
                   +1 :              -0.00020939277075
                3s
                   +0 :               0.00533004474130
                4s
                   +0 :              -0.00199579437769
                3p
                   -1 :               0.00324312791730
                   +0 :              -0.00453438585473
                   +1 :               0.00106128613068
                4p
                   -1 :              -0.00128664346361
                   +0 :               0.00094927304572
                   +1 :              -0.00086679938143
                3d
                   -2 :              -0.00039403094994
                   -1 :              -0.00137875461414
                   +0 :               0.00044914069573
                   +1 :               0.00012042812726
                   +2 :               0.00003723399694
              5 vec=     2.383842    -10.360070     -2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00002974635585
                2p
                   -1 :               0.00020559501833
                   +0 :               0.00015649263695
                   +1 :               0.00004201782124
                3s
                   +0 :              -0.00046894064077
                4s
                   +0 :              -0.00035291318861
                3p
                   -1 :              -0.00076654677997
                   +0 :              -0.00077662994504
                   +1 :              -0.00039408866821
                4p
                   -1 :               0.00047276765744
                   +0 :               0.00036616810754
                   +1 :               0.00008310640072
                3d
                   -2 :               0.00002565549861
                   -1 :               0.00011560226548
                   +0 :              -0.00025111776761
                   +1 :               0.00019523759202
                   +2 :              -0.00023170595414
              6 vec=    10.164004      3.115567     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00015959165993
                2p
                   -1 :               0.00006403273668
                   +0 :               0.00005493997298
                   +1 :              -0.00012650092974
                3s
                   +0 :               0.00065694661407
                4s
                   +0 :              -0.00025009153903
                3p
                   -1 :               0.00007181709057
                   +0 :              -0.00019416785059
                   +1 :               0.00036827362065
                4p
                   -1 :              -0.00005961195179
                   +0 :               0.00002799278655
                   +1 :              -0.00013141686616
                3d
                   -2 :              -0.00005960971034
                   -1 :              -0.00036572566805
                   +0 :              -0.00028849228707
                   +1 :              -0.00010468610976
                   +2 :               0.00016546844638
              7 vec=    10.164004     -5.868191     -2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00018207598333
                2p
                   -1 :              -0.00002442532209
                   +0 :              -0.00020193001475
                   +1 :               0.00016378708300
                3s
                   +0 :              -0.00014563942872
                4s
                   +0 :               0.00034866987688
                3p
                   -1 :               0.00015513148014
                   +0 :               0.00024236970709
                   +1 :              -0.00042098137027
                4p
                   -1 :              -0.00009233174522
                   +0 :              -0.00016070864750
                   +1 :               0.00021131306622
                3d
                   -2 :              -0.00007547903574
                   -1 :              -0.00006884781360
                   +0 :               0.00002771024311
                   +1 :              -0.00019214039032
                   +2 :              -0.00016414474888
              8 vec=   -13.176483     -1.376312     -2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00008434649521
                2p
                   -1 :              -0.00013269313643
                   +0 :              -0.00003813611044
                   +1 :               0.00000947847949
                3s
                   +0 :              -0.00159411633001
                4s
                   +0 :               0.00035386693472
                3p
                   -1 :               0.00132292007711
                   +0 :               0.00110408375291
                   +1 :               0.00046641291024
                4p
                   -1 :              -0.00028783828466
                   +0 :              -0.00009105528970
                   +1 :              -0.00009091221495
                3d
                   -2 :              -0.00032242562768
                   -1 :              -0.00022875604384
                   +0 :              -0.00033376309326
                   +1 :              -0.00030798402786
                   +2 :              -0.00000697498019
              9 vec=    -5.396321     12.099325     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00013818960663
                2p
                   -1 :              -0.00013769803622
                   +0 :               0.00011491006542
                   +1 :              -0.00002201124010
                3s
                   +0 :               0.00001989630115
                4s
                   +0 :              -0.00019648968833
                3p
                   -1 :               0.00042137429809
                   +0 :              -0.00008679933334
                   +1 :               0.00007069489493
                4p
                   -1 :              -0.00020554876313
                   +0 :               0.00013463348646
                   +1 :              -0.00003699019801
                3d
                   -2 :              -0.00001703368943
                   -1 :               0.00009686350455
                   +0 :              -0.00021676409473
                   +1 :               0.00014211507473
                   +2 :               0.00001148952166
             10 vec=   -13.176483      7.607446     -2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00004587662232
                2p
                   -1 :               0.00001579146427
                   +0 :              -0.00002402796860
                   +1 :              -0.00003370323370
                3s
                   +0 :              -0.00029925690847
                4s
                   +0 :               0.00012189030556
                3p
                   -1 :              -0.00008369831981
                   +0 :               0.00016935620802
                   +1 :               0.00021405846811
                4p
                   -1 :               0.00001644130787
                   +0 :              -0.00004208168903
                   +1 :              -0.00009255246447
                3d
                   -2 :              -0.00001125338646
                   -1 :               0.00005731226384
                   +0 :               0.00001752495532
                   +1 :              -0.00001196872643
                   +2 :              -0.00002350747105
             11 vec=    -5.396321    -14.851949     -2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00007722256274
                2p
                   -1 :              -0.00007556246767
                   +0 :               0.00000153785937
                   +1 :              -0.00003991238751
                3s
                   +0 :              -0.00015138442698
                4s
                   +0 :               0.00009539259774
                3p
                   -1 :               0.00029962619821
                   +0 :              -0.00004652309471
                   +1 :               0.00014179110299
                4p
                   -1 :              -0.00009542232895
                   +0 :              -0.00001495380261
                   +1 :              -0.00005165730887
                3d
                   -2 :               0.00002601422315
                   -1 :              -0.00000868371391
                   +0 :               0.00006047108878
                   +1 :               0.00001530676331
                   +2 :               0.00003534973314
             12 vec=    10.164004     12.099325     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00001850026460
                2p
                   -1 :               0.00003728775530
                   +0 :              -0.00002159909743
                   +1 :              -0.00005977422567
                3s
                   +0 :               0.00024083358505
                4s
                   +0 :              -0.00008738484945
                3p
                   -1 :              -0.00008890773218
                   +0 :              -0.00000492783874
                   +1 :               0.00029141446515
                4p
                   -1 :               0.00000556978072
                   +0 :               0.00001221957635
                   +1 :              -0.00007907052212
                3d
                   -2 :               0.00000015425047
                   -1 :              -0.00002899097148
                   +0 :               0.00001877668800
                   +1 :               0.00004191106620
                   +2 :               0.00002500415080
             13 vec=   -13.176483    -10.360070     -2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00004022520073
                2p
                   -1 :               0.00002027461672
                   +0 :               0.00001843877195
                   +1 :               0.00000772686727
                3s
                   +0 :               0.00008460242144
                4s
                   +0 :              -0.00005269323041
                3p
                   -1 :              -0.00005173296498
                   +0 :              -0.00005607253404
                   +1 :              -0.00004430997939
                4p
                   -1 :               0.00001072398830
                   +0 :               0.00003209414336
                   +1 :               0.00001300586966
                3d
                   -2 :              -0.00000977688411
                   -1 :              -0.00002153505213
                   +0 :               0.00002092468204
                   +1 :               0.00002271748196
                   +2 :              -0.00000230970052
             14 vec=     2.383842     16.591204     -2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00000109261543
                2p
                   -1 :              -0.00000512280688
                   +0 :               0.00000296189752
                   +1 :              -0.00000054464573
                3s
                   +0 :              -0.00000619633879
                4s
                   +0 :               0.00001159083658
                3p
                   -1 :              -0.00000374429119
                   +0 :              -0.00000967827671
                   +1 :              -0.00003137811749
                4p
                   -1 :               0.00000582870977
                   +0 :              -0.00000824532042
                   +1 :               0.00002708778084
                3d
                   -2 :               0.00000056213193
                   -1 :               0.00000206782469
                   +0 :               0.00000815251109
                   +1 :              -0.00000420632915
                   +2 :              -0.00000128472973
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Cr(  3)  npairs=  13
              1 vec=     2.383842     -1.376312      9.763049   |vec|=   10.143671
                3s
                   +0 :               0.00053000666063
                3p
                   -1 :              -0.00035359881700
                   +0 :               0.00034682989042
                   +1 :               0.00038074454191
                4s
                   +0 :              -0.00047526491978
                5s
                   +0 :               0.00000332736770
                3d
                   -2 :              -0.00138463092766
                   -1 :              -0.00052784605225
                   +0 :               0.00003185468463
                   +1 :               0.00078590622742
                   +2 :              -0.00027263720153
                4d
                   -2 :               0.00070584954248
                   -1 :               0.00013214465966
                   +0 :              -0.00003059267014
                   +1 :              -0.00008843359551
                   +2 :               0.00023800157472
                4p
                   -1 :               0.00035190736967
                   +0 :              -0.00035961711092
                   +1 :               0.00003910165777
              2 vec=    -5.396321      3.115567      9.763049   |vec|=   11.582062
                3s
                   +0 :              -0.00027403619164
                3p
                   -1 :              -0.00049031915473
                   +0 :               0.00003835402653
                   +1 :              -0.00018197179196
                4s
                   +0 :               0.00078283628947
                5s
                   +0 :              -0.00011044798420
                3d
                   -2 :               0.00029141389109
                   -1 :              -0.00005194518915
                   +0 :               0.00004957923622
                   +1 :              -0.00000125317258
                   +2 :               0.00002339344918
                4d
                   -2 :              -0.00026220607030
                   -1 :               0.00043959833895
                   +0 :               0.00024273518656
                   +1 :               0.00008047902318
                   +2 :              -0.00029795410548
                4p
                   -1 :               0.00092321740566
                   +0 :               0.00016834704204
                   +1 :               0.00020869405925
              3 vec=    -5.396321     -5.868191      9.763049   |vec|=   12.604486
                3s
                   +0 :               0.00008070782992
                3p
                   -1 :              -0.00000527505616
                   +0 :              -0.00001553405812
                   +1 :              -0.00032448074352
                4s
                   +0 :              -0.00024644229547
                5s
                   +0 :               0.00011087118655
                3d
                   -2 :              -0.00005264840542
                   -1 :              -0.00010564234722
                   +0 :               0.00025599645771
                   +1 :              -0.00010726801048
                   +2 :              -0.00031774927517
                4d
                   -2 :              -0.00005678197415
                   -1 :               0.00005230063272
                   +0 :              -0.00000604406193
                   +1 :               0.00013061054462
                   +2 :               0.00025611701379
                4p
                   -1 :               0.00005825178543
                   +0 :               0.00006446014078
                   +1 :               0.00050666102767
              4 vec=     2.383842      7.607446      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00006687088227
                3p
                   -1 :              -0.00026320726739
                   +0 :              -0.00005803649259
                   +1 :               0.00001173993436
                4s
                   +0 :              -0.00078837961342
                5s
                   +0 :               0.00002185966722
                3d
                   -2 :              -0.00057158971819
                   -1 :              -0.00032192263437
                   +0 :               0.00055398197334
                   +1 :              -0.00006214762758
                   +2 :               0.00068747878460
                4d
                   -2 :              -0.00001188894327
                   -1 :              -0.00032151629141
                   +0 :               0.00000524436220
                   +1 :              -0.00006287872776
                   +2 :               0.00029241683825
                4p
                   -1 :              -0.00055901943377
                   +0 :              -0.00018951688619
                   +1 :              -0.00021725211144
              5 vec=     2.383842    -10.360070      9.763049   |vec|=   14.433671
                3s
                   +0 :               0.00019476454438
                3p
                   -1 :              -0.00002047178320
                   +0 :               0.00006259102940
                   +1 :              -0.00015200548390
                4s
                   +0 :              -0.00028244559600
                5s
                   +0 :               0.00000320302553
                3d
                   -2 :              -0.00012976774602
                   -1 :              -0.00000708987921
                   +0 :              -0.00007656545026
                   +1 :               0.00004656684780
                   +2 :               0.00008172443334
                4d
                   -2 :              -0.00017050833324
                   -1 :              -0.00006986856098
                   +0 :               0.00001588356611
                   +1 :               0.00021081573593
                   +2 :              -0.00018882858740
                4p
                   -1 :              -0.00004924779029
                   +0 :              -0.00006560533964
                   +1 :               0.00036283949454
              6 vec=    10.164004      3.115567      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00001888883563
                3p
                   -1 :               0.00008327538132
                   +0 :              -0.00000530642502
                   +1 :               0.00004039484011
                4s
                   +0 :              -0.00007657828269
                5s
                   +0 :               0.00006905863101
                3d
                   -2 :               0.00024710383714
                   -1 :               0.00006220215807
                   +0 :               0.00007433529427
                   +1 :               0.00002789775026
                   +2 :               0.00019297575358
                4d
                   -2 :              -0.00014839994666
                   -1 :              -0.00012424609922
                   +0 :              -0.00005312423729
                   +1 :              -0.00002412359127
                   +2 :              -0.00002585025862
                4p
                   -1 :              -0.00013979208765
                   +0 :              -0.00000375181576
                   +1 :              -0.00006434478041
              7 vec=     2.383842     -1.376312    -14.784494   |vec|=   15.038557
                3s
                   +0 :              -0.00007329977994
                3p
                   -1 :              -0.00005065614978
                   +0 :               0.00002628386455
                   +1 :               0.00001962860276
                4s
                   +0 :               0.00005238878456
                5s
                   +0 :               0.00001026580670
                3d
                   -2 :               0.00002872001710
                   -1 :              -0.00007405542352
                   +0 :               0.00000729217197
                   +1 :              -0.00002677752331
                   +2 :               0.00002683147520
                4d
                   -2 :               0.00006639718314
                   -1 :              -0.00001111137940
                   +0 :              -0.00002764338280
                   +1 :               0.00002138241772
                   +2 :               0.00007205757583
                4p
                   -1 :               0.00006030297102
                   +0 :               0.00000147340289
                   +1 :              -0.00005743560058
              8 vec=    10.164004     -5.868191      9.763049   |vec|=   15.266295
                3s
                   +0 :              -0.00056425008592
                3p
                   -1 :               0.00021385547292
                   +0 :              -0.00022427142927
                   +1 :              -0.00028576384325
                4s
                   +0 :               0.00112432556529
                5s
                   +0 :              -0.00010067881737
                3d
                   -2 :               0.00047289653668
                   -1 :               0.00031130276823
                   +0 :               0.00004254329719
                   +1 :              -0.00057168867780
                   +2 :              -0.00021220903190
                4d
                   -2 :              -0.00030399569152
                   -1 :              -0.00024046758806
                   +0 :               0.00002305147190
                   +1 :               0.00040626933939
                   +2 :               0.00009969175968
                4p
                   -1 :              -0.00045664287427
                   +0 :               0.00042167490400
                   +1 :               0.00051555496405
              9 vec=    -5.396321      3.115567    -14.784494   |vec|=   16.043949
                3s
                   +0 :              -0.00013689975400
                3p
                   -1 :              -0.00000205294096
                   +0 :               0.00005437963167
                   +1 :               0.00004571491250
                4s
                   +0 :               0.00028071782477
                5s
                   +0 :              -0.00002111017893
                3d
                   -2 :               0.00005920837421
                   -1 :               0.00007944399989
                   +0 :              -0.00007786506974
                   +1 :              -0.00010058164776
                   +2 :              -0.00007226476858
                4d
                   -2 :              -0.00004456506559
                   -1 :               0.00000139495365
                   +0 :               0.00000541646519
                   +1 :               0.00001014279897
                   +2 :               0.00000595538496
                4p
                   -1 :              -0.00002287126989
                   +0 :              -0.00009338382184
                   +1 :              -0.00003416968197
             10 vec=   -13.176483     -1.376312      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00012129365825
                3p
                   -1 :              -0.00010556667930
                   +0 :               0.00003188855641
                   +1 :              -0.00014704458210
                4s
                   +0 :              -0.00015571518345
                5s
                   +0 :               0.00000813252756
                3d
                   -2 :               0.00015111055340
                   -1 :              -0.00014163207655
                   +0 :              -0.00004725595324
                   +1 :              -0.00024106487115
                   +2 :               0.00018930668900
                4d
                   -2 :              -0.00002417477408
                   -1 :               0.00005901455999
                   +0 :               0.00000462060287
                   +1 :               0.00004153611136
                   +2 :              -0.00005286039066
                4p
                   -1 :               0.00016650406804
                   +0 :              -0.00003133774535
                   +1 :               0.00020356922449
             11 vec=    -5.396321     12.099325      9.763049   |vec|=   16.456946
                3s
                   +0 :              -0.00004550246831
                3p
                   -1 :              -0.00001933727854
                   +0 :              -0.00002986597870
                   +1 :               0.00003428184807
                4s
                   +0 :               0.00013292581771
                5s
                   +0 :              -0.00000904791978
                3d
                   -2 :               0.00004328127236
                   -1 :               0.00016706338653
                   +0 :              -0.00002281301716
                   +1 :               0.00002633095157
                   +2 :              -0.00014177057655
                4d
                   -2 :               0.00001363346427
                   -1 :               0.00005836479400
                   +0 :               0.00001684007143
                   +1 :              -0.00001219555459
                   +2 :              -0.00003934022632
                4p
                   -1 :               0.00009634593509
                   +0 :               0.00007427509474
                   +1 :              -0.00003236725309
             12 vec=    -5.396321     -5.868191    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00013053893619
                3p
                   -1 :              -0.00002096901337
                   +0 :               0.00002934076483
                   +1 :               0.00000829030505
                4s
                   +0 :               0.00028779363436
                5s
                   +0 :              -0.00001057586463
                3d
                   -2 :               0.00005185217860
                   -1 :               0.00010474050728
                   +0 :               0.00004707493566
                   +1 :              -0.00007474101768
                   +2 :              -0.00003618086237
                4d
                   -2 :               0.00003614300597
                   -1 :               0.00004782261892
                   +0 :              -0.00003109347333
                   +1 :               0.00003083284750
                   +2 :              -0.00007133333592
                4p
                   -1 :              -0.00002344996510
                   +0 :              -0.00008277952242
                   +1 :              -0.00001816310589
             13 vec=     2.383842      7.607446    -14.784494   |vec|=   16.796940
                3s
                   +0 :               0.00000216283690
                3p
                   -1 :               0.00004649430549
                   +0 :              -0.00002097860984
                   +1 :               0.00001195069375
                4s
                   +0 :               0.00005910687633
                5s
                   +0 :              -0.00000927347981
                3d
                   -2 :               0.00019769621717
                   -1 :              -0.00008006298085
                   +0 :               0.00013529124036
                   +1 :              -0.00022504026353
                   +2 :              -0.00010284489353
                4d
                   -2 :               0.00002001568559
                   -1 :               0.00000599905476
                   +0 :              -0.00000054715517
                   +1 :              -0.00003734743482
                   +2 :               0.00000252017957
                4p
                   -1 :              -0.00004153461499
                   +0 :              -0.00005674596114
                   +1 :               0.00004051887113
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al(  4)  npairs=  14
              1 vec=     2.383842     -1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.02124021260354
                2p
                   -1 :              -0.01380537226102
                   +0 :               0.01904158705252
                   +1 :               0.01720365509052
                3s
                   +0 :               0.06185747663188
                4s
                   +0 :               0.00910394256442
                3p
                   -1 :              -0.01442749334133
                   +0 :               0.05408860471803
                   +1 :               0.02033859199022
                4p
                   -1 :              -0.00919759848338
                   +0 :               0.00807692034155
                   +1 :               0.00894010812901
                3d
                   -2 :              -0.01847743017638
                   -1 :              -0.02729089156588
                   +0 :               0.01962933876231
                   +1 :               0.02924964915743
                   +2 :              -0.00057673971108
              2 vec=    -5.396321      3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00367829300770
                2p
                   -1 :               0.00233598108724
                   +0 :               0.00144623945712
                   +1 :              -0.00175842750686
                3s
                   +0 :              -0.01070210399874
                4s
                   +0 :               0.00812344850097
                3p
                   -1 :              -0.00894731736385
                   +0 :              -0.00461139306110
                   +1 :               0.00263489027290
                4p
                   -1 :               0.00377491127768
                   +0 :               0.00249637842775
                   +1 :              -0.00298152195393
                3d
                   -2 :              -0.00001420713295
                   -1 :              -0.00143651013533
                   +0 :              -0.00068966416881
                   +1 :               0.00053107366860
                   +2 :              -0.00000886641173
              3 vec=    -5.396321     -5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00085455312636
                2p
                   -1 :               0.00018517449334
                   +0 :               0.00034746652975
                   +1 :              -0.00082135655143
                3s
                   +0 :              -0.00312745102730
                4s
                   +0 :              -0.00191115253385
                3p
                   -1 :              -0.00596093492154
                   +0 :              -0.00435304218886
                   +1 :               0.00453293203429
                4p
                   -1 :               0.00298962085616
                   +0 :              -0.00006443990950
                   +1 :              -0.00008317717005
                3d
                   -2 :               0.00104253746114
                   -1 :              -0.00106773517578
                   +0 :              -0.00134680276969
                   +1 :               0.00107949543728
                   +2 :              -0.00151676838870
              4 vec=     2.383842      7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00026095669283
                2p
                   -1 :               0.00013993527254
                   +0 :               0.00012348222924
                   +1 :              -0.00038575776386
                3s
                   +0 :               0.00292376229345
                4s
                   +0 :              -0.00009853659146
                3p
                   -1 :               0.00015438914172
                   +0 :               0.00142434968182
                   +1 :               0.00065807475488
                4p
                   -1 :               0.00021896233929
                   +0 :               0.00021334970484
                   +1 :              -0.00023881086402
                3d
                   -2 :               0.00024249937495
                   -1 :               0.00072446127523
                   +0 :               0.00076894017268
                   +1 :              -0.00030139267080
                   +2 :               0.00034384237419
              5 vec=     2.383842    -10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00031074994118
                2p
                   -1 :               0.00002560320715
                   +0 :              -0.00003268713095
                   +1 :               0.00007299583158
                3s
                   +0 :               0.00060405831776
                4s
                   +0 :              -0.00043999783822
                3p
                   -1 :               0.00035027843737
                   +0 :              -0.00011716044227
                   +1 :              -0.00076162352927
                4p
                   -1 :               0.00001080584535
                   +0 :               0.00002413214991
                   +1 :               0.00017248774929
                3d
                   -2 :               0.00020078099279
                   -1 :               0.00001647073321
                   +0 :              -0.00016033382129
                   +1 :              -0.00002009942590
                   +2 :               0.00007266298492
              6 vec=    10.164004      3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00060958526678
                2p
                   -1 :              -0.00012761297937
                   +0 :              -0.00005542224784
                   +1 :               0.00024628822986
                3s
                   +0 :              -0.00070174703290
                4s
                   +0 :              -0.00045347830756
                3p
                   -1 :               0.00129090719122
                   +0 :               0.00013602839253
                   +1 :              -0.00002657305068
                4p
                   -1 :              -0.00043062362811
                   +0 :              -0.00017901206289
                   +1 :              -0.00045214929433
                3d
                   -2 :               0.00028771849502
                   -1 :               0.00038438998974
                   +0 :              -0.00002376934890
                   +1 :               0.00002298407778
                   +2 :               0.00009411427914
              7 vec=    10.164004     -5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00031089034479
                2p
                   -1 :              -0.00011327667690
                   +0 :               0.00012030977183
                   +1 :               0.00009339041865
                3s
                   +0 :              -0.00049517878476
                4s
                   +0 :               0.00037511720061
                3p
                   -1 :               0.00034744939823
                   +0 :               0.00006226746044
                   +1 :              -0.00018877558601
                4p
                   -1 :              -0.00001050033936
                   +0 :               0.00012236723588
                   +1 :               0.00019405416799
                3d
                   -2 :               0.00013354820520
                   -1 :              -0.00005430003419
                   +0 :               0.00011790245495
                   +1 :               0.00015423139628
                   +2 :               0.00053666326314
              8 vec=   -13.176483     -1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00012744627719
                2p
                   -1 :               0.00038054318380
                   +0 :              -0.00026223663238
                   +1 :               0.00005866773881
                3s
                   +0 :              -0.00041361625803
                4s
                   +0 :              -0.00018589178797
                3p
                   -1 :              -0.00155861038782
                   +0 :               0.00015737357536
                   +1 :               0.00018323376357
                4p
                   -1 :               0.00053610474132
                   +0 :              -0.00010969378035
                   +1 :               0.00005428046747
                3d
                   -2 :               0.00031106448513
                   -1 :               0.00015076268187
                   +0 :              -0.00015938418775
                   +1 :               0.00004114262057
                   +2 :              -0.00020874370053
              9 vec=    -5.396321     12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00002911688688
                2p
                   -1 :              -0.00000615035287
                   +0 :              -0.00005115137391
                   +1 :               0.00005588433401
                3s
                   +0 :              -0.00052969130482
                4s
                   +0 :               0.00005225291928
                3p
                   -1 :              -0.00032828886618
                   +0 :              -0.00025846365579
                   +1 :              -0.00050870603333
                4p
                   -1 :               0.00004132596024
                   +0 :              -0.00006603238580
                   +1 :               0.00016374271192
                3d
                   -2 :              -0.00011506212780
                   -1 :              -0.00010664385300
                   +0 :              -0.00018015558467
                   +1 :              -0.00010382814669
                   +2 :               0.00007463439819
             10 vec=   -13.176483      7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00000318281531
                2p
                   -1 :              -0.00000349159945
                   +0 :              -0.00001114902907
                   +1 :              -0.00001619060146
                3s
                   +0 :              -0.00015736719476
                4s
                   +0 :               0.00008452839592
                3p
                   -1 :              -0.00007834633368
                   +0 :               0.00005075623680
                   +1 :               0.00013433691525
                4p
                   -1 :               0.00006994498947
                   +0 :              -0.00003183563579
                   +1 :              -0.00004850519521
                3d
                   -2 :               0.00003943247814
                   -1 :               0.00003006108785
                   +0 :              -0.00001211648094
                   +1 :               0.00001281537121
                   +2 :               0.00000926174088
             11 vec=    -5.396321    -14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00000872704778
                2p
                   -1 :              -0.00001897028128
                   +0 :              -0.00001912570135
                   +1 :              -0.00004064256422
                3s
                   +0 :               0.00013575387200
                4s
                   +0 :               0.00004574004647
                3p
                   -1 :               0.00006036500337
                   +0 :               0.00018671371364
                   +1 :               0.00015448656831
                4p
                   -1 :              -0.00006077406311
                   +0 :              -0.00004346913143
                   +1 :              -0.00004439447124
                3d
                   -2 :              -0.00005571598892
                   -1 :               0.00001798700406
                   +0 :               0.00000883798064
                   +1 :              -0.00010962705699
                   +2 :               0.00003066664715
             12 vec=    10.164004     12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00002854578829
                2p
                   -1 :               0.00003862624584
                   +0 :               0.00004463464398
                   +1 :              -0.00001109396746
                3s
                   +0 :               0.00004651304442
                4s
                   +0 :               0.00002115906780
                3p
                   -1 :              -0.00018726001522
                   +0 :              -0.00020443577079
                   +1 :               0.00008651582608
                4p
                   -1 :               0.00005613671325
                   +0 :               0.00006480298916
                   +1 :              -0.00002849891115
                3d
                   -2 :              -0.00001941155764
                   -1 :              -0.00001535445275
                   +0 :               0.00002824807505
                   +1 :              -0.00003874630143
                   +2 :              -0.00000229783317
             13 vec=   -13.176483    -10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00004262097987
                2p
                   -1 :              -0.00001997761671
                   +0 :              -0.00000688517917
                   +1 :               0.00000489914371
                3s
                   +0 :              -0.00027112128999
                4s
                   +0 :               0.00012484986192
                3p
                   -1 :               0.00013484972728
                   +0 :              -0.00004550087138
                   +1 :               0.00003512215665
                4p
                   -1 :              -0.00003047451105
                   +0 :               0.00002297377950
                   +1 :              -0.00004040954694
                3d
                   -2 :              -0.00002302935225
                   -1 :               0.00000728360501
                   +0 :              -0.00001157817877
                   +1 :               0.00002722314420
                   +2 :              -0.00000148327709
             14 vec=     2.383842     16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00002901411337
                2p
                   -1 :               0.00001890144845
                   +0 :               0.00001096363211
                   +1 :               0.00000537468537
                3s
                   +0 :              -0.00006569781418
                4s
                   +0 :               0.00002203382385
                3p
                   -1 :              -0.00009137275462
                   +0 :              -0.00005284767028
                   +1 :              -0.00002336131442
                4p
                   -1 :               0.00002784687162
                   +0 :               0.00001344506713
                   +1 :               0.00000289335108
                3d
                   -2 :               0.00000579493618
                   -1 :              -0.00001122474266
                   +0 :               0.00001245648931
                   +1 :               0.00000838075336
                   +2 :               0.00000233216914
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al(  5)  npairs=  14
              1 vec=    -0.209546      3.115567     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.00170792780336
                2p
                   -1 :              -0.00276462809307
                   +0 :               0.00182148722763
                   +1 :              -0.00749062408450
                3s
                   +0 :              -0.01923625710186
                4s
                   +0 :               0.00370152568715
                3p
                   -1 :              -0.01664509954039
                   +0 :               0.00236091938381
                   +1 :              -0.03922603547018
                4p
                   -1 :               0.00029495052524
                   +0 :               0.00067573804611
                   +1 :              -0.00152054635762
                3d
                   -2 :              -0.03260891771576
                   -1 :               0.00606053178528
                   +0 :               0.00168233326774
                   +1 :               0.01773769218078
                   +2 :               0.00985428151528
              2 vec=    -0.209546     -5.868191     -1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00079702464891
                2p
                   -1 :               0.00158044390073
                   +0 :              -0.00077149334054
                   +1 :               0.00077027642625
                3s
                   +0 :               0.00522310574545
                4s
                   +0 :              -0.00152430319756
                3p
                   -1 :              -0.00493904256085
                   +0 :               0.00540365377569
                   +1 :              -0.00385165081776
                4p
                   -1 :               0.00190511157573
                   +0 :              -0.00181366750455
                   +1 :               0.00206490541991
                3d
                   -2 :              -0.00232033379822
                   -1 :              -0.00118438896476
                   +0 :               0.00028112594250
                   +1 :              -0.00031013224412
                   +2 :               0.00209312652656
              3 vec=     7.570617     -1.376312     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00000681500855
                2p
                   -1 :               0.00001406043289
                   +0 :               0.00026295165297
                   +1 :              -0.00062099464979
                3s
                   +0 :               0.01593042173494
                4s
                   +0 :              -0.00020371632592
                3p
                   -1 :              -0.00832915935678
                   +0 :              -0.01138889658396
                   +1 :               0.00607893666064
                4p
                   -1 :              -0.00014442719873
                   +0 :               0.00065334272608
                   +1 :              -0.00017554077641
                3d
                   -2 :              -0.00335615587634
                   -1 :               0.00281882888898
                   +0 :               0.00114813247624
                   +1 :              -0.00367209867251
                   +2 :              -0.00138392218828
              4 vec=    -7.989708     -1.376312     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00062644605753
                2p
                   -1 :              -0.00083819372019
                   +0 :              -0.00033872281373
                   +1 :               0.00092164099337
                3s
                   +0 :              -0.00968570816138
                4s
                   +0 :               0.00145052708509
                3p
                   -1 :               0.01067332657161
                   +0 :               0.00778409257804
                   +1 :              -0.00440658741373
                4p
                   -1 :              -0.00134750737523
                   +0 :              -0.00100599741883
                   +1 :               0.00092542556247
                3d
                   -2 :              -0.00123019865439
                   -1 :              -0.00394167648224
                   +0 :              -0.00127200880535
                   +1 :              -0.00079086669811
                   +2 :               0.00386702978900
              5 vec=     7.570617      7.607446     -1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00015605933959
                2p
                   -1 :              -0.00024021410694
                   +0 :               0.00010340901206
                   +1 :               0.00015166146345
                3s
                   +0 :               0.00205621566360
                4s
                   +0 :              -0.00027372637497
                3p
                   -1 :               0.00216468439467
                   +0 :              -0.00105863347378
                   +1 :              -0.00063802243067
                4p
                   -1 :              -0.00029739701326
                   +0 :               0.00006716187837
                   +1 :               0.00007550985660
                3d
                   -2 :              -0.00007912159064
                   -1 :              -0.00035901576311
                   +0 :              -0.00010075165158
                   +1 :              -0.00000579337112
                   +2 :              -0.00045613590986
              6 vec=    -7.989708      7.607446     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00059580490513
                2p
                   -1 :               0.00000711704671
                   +0 :               0.00008330846331
                   +1 :              -0.00023931657286
                3s
                   +0 :              -0.00392322618339
                4s
                   +0 :               0.00084374211956
                3p
                   -1 :              -0.00147960084624
                   +0 :               0.00050761375937
                   +1 :               0.00185849760453
                4p
                   -1 :               0.00001442759161
                   +0 :              -0.00003552923545
                   +1 :              -0.00045548457518
                3d
                   -2 :               0.00040489795795
                   -1 :               0.00045664645203
                   +0 :              -0.00005665793005
                   +1 :               0.00006414772088
                   +2 :              -0.00011354557643
              7 vec=    -0.209546     12.099325     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00018993933589
                2p
                   -1 :               0.00015612897053
                   +0 :              -0.00017598839270
                   +1 :               0.00005615374023
                3s
                   +0 :              -0.00023482092692
                4s
                   +0 :               0.00008223789897
                3p
                   -1 :              -0.00047135690353
                   +0 :               0.00062341154790
                   +1 :               0.00001471506673
                4p
                   -1 :               0.00013438141615
                   +0 :              -0.00013242709746
                   +1 :               0.00008173037543
                3d
                   -2 :               0.00026003819715
                   -1 :               0.00010330885407
                   +0 :               0.00006246291943
                   +1 :              -0.00002894084045
                   +2 :               0.00009998125927
              8 vec=     7.570617    -10.360070     -1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00028769270989
                2p
                   -1 :              -0.00003027985851
                   +0 :              -0.00006287607803
                   +1 :               0.00014685593120
                3s
                   +0 :               0.00178732197961
                4s
                   +0 :              -0.00022762029829
                3p
                   -1 :               0.00031748715558
                   +0 :              -0.00071313981436
                   +1 :               0.00013961848940
                4p
                   -1 :              -0.00007146895653
                   +0 :               0.00008688999335
                   +1 :               0.00021566243469
                3d
                   -2 :               0.00030963916334
                   -1 :              -0.00006795313955
                   +0 :               0.00008241990825
                   +1 :              -0.00046184214818
                   +2 :               0.00021217124664
              9 vec=    -7.989708    -10.360070     -1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00025239180157
                2p
                   -1 :              -0.00006276084544
                   +0 :              -0.00010069129878
                   +1 :               0.00009257089837
                3s
                   +0 :              -0.00233954646632
                4s
                   +0 :               0.00011518907372
                3p
                   -1 :               0.00050557145489
                   +0 :               0.00180489644571
                   +1 :               0.00072202437493
                4p
                   -1 :               0.00004575929939
                   +0 :              -0.00031114566662
                   +1 :               0.00017166697654
                3d
                   -2 :              -0.00011320523283
                   -1 :              -0.00041213826645
                   +0 :              -0.00020201926047
                   +1 :              -0.00069899784202
                   +2 :              -0.00023609936066
             10 vec=    -0.209546    -14.851949     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00003934596449
                2p
                   -1 :               0.00005690700239
                   +0 :              -0.00000296481705
                   +1 :              -0.00001837109775
                3s
                   +0 :               0.00030589805518
                4s
                   +0 :              -0.00018195237812
                3p
                   -1 :              -0.00047308859744
                   +0 :              -0.00001161715083
                   +1 :              -0.00007359440203
                4p
                   -1 :               0.00016812192426
                   +0 :               0.00000996003798
                   +1 :              -0.00002385111360
                3d
                   -2 :              -0.00001207958621
                   -1 :               0.00003038410801
                   +0 :               0.00000020719408
                   +1 :               0.00009304056713
                   +2 :              -0.00005860620229
             11 vec=    15.350780      3.115567     -1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00015294888385
                2p
                   -1 :              -0.00001265038150
                   +0 :               0.00004455153973
                   +1 :              -0.00009441987695
                3s
                   +0 :               0.00051826750881
                4s
                   +0 :              -0.00020765243362
                3p
                   -1 :               0.00017335652123
                   +0 :              -0.00030707985792
                   +1 :               0.00049384933614
                4p
                   -1 :              -0.00005675583002
                   +0 :               0.00008541059967
                   +1 :              -0.00011423161996
                3d
                   -2 :               0.00012446316523
                   -1 :              -0.00003660981422
                   +0 :              -0.00009667502683
                   +1 :              -0.00008329698569
                   +2 :               0.00007188657410
             12 vec=   -15.769871      3.115567     -1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00004335172579
                2p
                   -1 :              -0.00003510297997
                   +0 :               0.00001012694226
                   +1 :               0.00001011603597
                3s
                   +0 :              -0.00009809680218
                4s
                   +0 :              -0.00007701829741
                3p
                   -1 :               0.00026511647382
                   +0 :              -0.00002360549154
                   +1 :              -0.00021690430454
                4p
                   -1 :              -0.00011732554549
                   +0 :               0.00003119120954
                   +1 :               0.00013294588588
                3d
                   -2 :              -0.00007829233880
                   -1 :              -0.00002263242479
                   +0 :               0.00003337186384
                   +1 :              -0.00002341740183
                   +2 :              -0.00004568178460
             13 vec=    15.350780     -5.868191     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00005514124252
                2p
                   -1 :               0.00001731677919
                   +0 :               0.00002731671497
                   +1 :              -0.00001092995259
                3s
                   +0 :               0.00020684553699
                4s
                   +0 :              -0.00003376363102
                3p
                   -1 :              -0.00004386454360
                   +0 :              -0.00016727280520
                   +1 :              -0.00000641869116
                4p
                   -1 :               0.00000457365094
                   +0 :               0.00002188457107
                   +1 :               0.00000316375929
                3d
                   -2 :               0.00000392898915
                   -1 :               0.00005034110224
                   +0 :               0.00001382676826
                   +1 :              -0.00003119660363
                   +2 :              -0.00000367495684
             14 vec=   -15.769871     -5.868191     -1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00000469951720
                2p
                   -1 :              -0.00000005523772
                   +0 :               0.00001769407158
                   +1 :              -0.00000493134327
                3s
                   +0 :              -0.00025176768953
                4s
                   +0 :               0.00010749164972
                3p
                   -1 :               0.00007040234746
                   +0 :               0.00002995140589
                   +1 :               0.00019234114251
                4p
                   -1 :              -0.00005116134545
                   +0 :               0.00000705983195
                   +1 :              -0.00006228213417
                3d
                   -2 :              -0.00001076670056
                   -1 :               0.00000506031977
                   +0 :              -0.00000198881288
                   +1 :              -0.00003067134159
                   +2 :              -0.00001242889299
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al(  6)  npairs=  14
              1 vec=    -0.209546      3.115567      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00020006991362
                2p
                   -1 :               0.00007186755745
                   +0 :              -0.00036456175898
                   +1 :               0.00073987054577
                3s
                   +0 :               0.00121865501030
                4s
                   +0 :              -0.00192464020331
                3p
                   -1 :               0.00088107264402
                   +0 :               0.00326926323341
                   +1 :              -0.00380747937326
                4p
                   -1 :              -0.00102131519213
                   +0 :              -0.00120968429974
                   +1 :               0.00084280329264
                3d
                   -2 :               0.00122238404780
                   -1 :               0.00025085155138
                   +0 :               0.00023851978921
                   +1 :               0.00207185600366
                   +2 :              -0.00056822872531
              2 vec=    -0.209546     -5.868191      5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00044849530728
                2p
                   -1 :               0.00000999059323
                   +0 :              -0.00058948523387
                   +1 :              -0.00084707428130
                3s
                   +0 :              -0.00044208343904
                4s
                   +0 :               0.00092666163244
                3p
                   -1 :               0.00147476405489
                   +0 :               0.00342523858946
                   +1 :               0.00608279201753
                4p
                   -1 :              -0.00035341038556
                   +0 :              -0.00076636577807
                   +1 :              -0.00146150323373
                3d
                   -2 :              -0.00150433998527
                   -1 :              -0.00079732690107
                   +0 :               0.00063548065183
                   +1 :               0.00111462557987
                   +2 :               0.00036284500511
              3 vec=     7.570617     -1.376312      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00051216283781
                2p
                   -1 :               0.00090529811031
                   +0 :               0.00053155113019
                   +1 :              -0.00011714345825
                3s
                   +0 :              -0.00067205447045
                4s
                   +0 :              -0.00004101383464
                3p
                   -1 :              -0.00500151620437
                   +0 :              -0.00135567619909
                   +1 :               0.00089423066499
                4p
                   -1 :               0.00120370322365
                   +0 :               0.00026215828625
                   +1 :              -0.00041142382838
                3d
                   -2 :              -0.00047791646222
                   -1 :              -0.00078067817210
                   +0 :               0.00041191676848
                   +1 :               0.00011943514982
                   +2 :               0.00037490696345
              4 vec=    -7.989708     -1.376312      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00236214761860
                2p
                   -1 :              -0.00133576531294
                   +0 :               0.00002712080527
                   +1 :               0.00120464158275
                3s
                   +0 :               0.00641374876251
                4s
                   +0 :              -0.00170598604911
                3p
                   -1 :               0.00632654353099
                   +0 :              -0.00169333810656
                   +1 :              -0.00497386633623
                4p
                   -1 :              -0.00118600736098
                   +0 :               0.00114459098137
                   +1 :               0.00097944298121
                3d
                   -2 :              -0.00133726006691
                   -1 :               0.00076562415563
                   +0 :              -0.00093993392696
                   +1 :               0.00000528969656
                   +2 :               0.00025464122465
              5 vec=     7.570617      7.607446      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00022279160804
                2p
                   -1 :               0.00016093682999
                   +0 :               0.00017584609996
                   +1 :               0.00016835157224
                3s
                   +0 :              -0.00078629646659
                4s
                   +0 :               0.00051181951504
                3p
                   -1 :              -0.00112413467013
                   +0 :              -0.00027677585739
                   +1 :              -0.00078258715259
                4p
                   -1 :               0.00042333887604
                   +0 :               0.00012171483701
                   +1 :               0.00030522586331
                3d
                   -2 :              -0.00014858807241
                   -1 :              -0.00010006357269
                   +0 :               0.00010031825003
                   +1 :              -0.00003148330740
                   +2 :               0.00007008496100
              6 vec=    -7.989708      7.607446      5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00022646432443
                2p
                   -1 :              -0.00015466364149
                   +0 :              -0.00009510271473
                   +1 :               0.00017549244455
                3s
                   +0 :               0.00037970335878
                4s
                   +0 :              -0.00017852932468
                3p
                   -1 :               0.00068126254270
                   +0 :               0.00016555785567
                   +1 :              -0.00028623947962
                4p
                   -1 :              -0.00015001580306
                   +0 :               0.00001543066904
                   +1 :               0.00007354135252
                3d
                   -2 :              -0.00025702286990
                   -1 :               0.00021146346484
                   +0 :               0.00002370912322
                   +1 :              -0.00009991272320
                   +2 :              -0.00011295350905
              7 vec=    -0.209546     12.099325      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00003791609150
                2p
                   -1 :               0.00001207919319
                   +0 :              -0.00003803788822
                   +1 :              -0.00001575134232
                3s
                   +0 :               0.00016716201638
                4s
                   +0 :               0.00000731984737
                3p
                   -1 :              -0.00003150169310
                   +0 :               0.00006749769427
                   +1 :               0.00001583299361
                4p
                   -1 :               0.00004369006645
                   +0 :               0.00004286364495
                   +1 :              -0.00000552778003
                3d
                   -2 :              -0.00007891311987
                   -1 :               0.00003295604964
                   +0 :               0.00000959884034
                   +1 :              -0.00005841628725
                   +2 :               0.00002622536640
              8 vec=     7.570617    -10.360070      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00048714349384
                2p
                   -1 :              -0.00020478135864
                   +0 :               0.00010721872527
                   +1 :              -0.00002420750422
                3s
                   +0 :              -0.00114969647380
                4s
                   +0 :               0.00017586457869
                3p
                   -1 :               0.00055756049619
                   +0 :              -0.00042901847331
                   +1 :               0.00022734622600
                4p
                   -1 :              -0.00002158528531
                   +0 :               0.00014177402871
                   +1 :              -0.00014566751177
                3d
                   -2 :              -0.00001056600973
                   -1 :               0.00019724772845
                   +0 :               0.00000780116068
                   +1 :               0.00008701432512
                   +2 :               0.00010897053802
              9 vec=    -7.989708    -10.360070      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00002373104112
                2p
                   -1 :               0.00002246060761
                   +0 :              -0.00006534160439
                   +1 :               0.00007540696123
                3s
                   +0 :               0.00026798189259
                4s
                   +0 :              -0.00020183626670
                3p
                   -1 :              -0.00019221473997
                   +0 :               0.00020507264361
                   +1 :              -0.00055694421211
                4p
                   -1 :               0.00010369201593
                   +0 :              -0.00006495231722
                   +1 :               0.00018346405009
                3d
                   -2 :              -0.00000740421725
                   -1 :               0.00002993302432
                   +0 :              -0.00010185211027
                   +1 :              -0.00011871830695
                   +2 :               0.00000837893245
             10 vec=    -0.209546    -14.851949      5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00011346777623
                2p
                   -1 :               0.00006408122230
                   +0 :              -0.00004034457376
                   +1 :               0.00003263386694
                3s
                   +0 :               0.00037769192436
                4s
                   +0 :              -0.00007139015873
                3p
                   -1 :              -0.00037065114254
                   +0 :               0.00017890732925
                   +1 :              -0.00017543794369
                4p
                   -1 :               0.00006686054199
                   +0 :              -0.00003856816169
                   +1 :               0.00003883247284
                3d
                   -2 :               0.00001648027855
                   -1 :              -0.00004910267003
                   +0 :              -0.00003734105988
                   +1 :              -0.00004006331330
                   +2 :              -0.00008411530289
             11 vec=    15.350780      3.115567      5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00010192952762
                2p
                   -1 :               0.00000942758497
                   +0 :               0.00003874287107
                   +1 :               0.00005996730419
                3s
                   +0 :              -0.00013409456906
                4s
                   +0 :               0.00005160756066
                3p
                   -1 :               0.00001648317439
                   +0 :              -0.00015875673750
                   +1 :              -0.00015869331894
                4p
                   -1 :              -0.00000496512245
                   +0 :               0.00001874172748
                   +1 :               0.00003671577019
                3d
                   -2 :              -0.00002738289495
                   -1 :              -0.00003073641513
                   +0 :              -0.00001991276228
                   +1 :              -0.00008825516304
                   +2 :              -0.00003624700430
             12 vec=   -15.769871      3.115567      5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00014400327908
                2p
                   -1 :              -0.00006556031993
                   +0 :              -0.00005179491871
                   +1 :               0.00008456756082
                3s
                   +0 :               0.00046527248524
                4s
                   +0 :              -0.00017956704516
                3p
                   -1 :               0.00030642760172
                   +0 :               0.00023141200325
                   +1 :              -0.00045882977649
                4p
                   -1 :              -0.00006613144993
                   +0 :              -0.00005423172676
                   +1 :               0.00012332788018
                3d
                   -2 :              -0.00009852004978
                   -1 :               0.00008619206431
                   +0 :              -0.00000223255196
                   +1 :              -0.00011040491285
                   +2 :               0.00003354622655
             13 vec=    15.350780     -5.868191      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00001167555418
                2p
                   -1 :              -0.00002089956422
                   +0 :              -0.00000127827204
                   +1 :              -0.00003370685239
                3s
                   +0 :               0.00001539216327
                4s
                   +0 :              -0.00002404616271
                3p
                   -1 :               0.00009252842149
                   +0 :               0.00004852427534
                   +1 :               0.00019054514691
                4p
                   -1 :              -0.00002001936430
                   +0 :              -0.00003449588384
                   +1 :              -0.00006863615271
                3d
                   -2 :              -0.00000775299498
                   -1 :              -0.00000276862432
                   +0 :               0.00001140411056
                   +1 :               0.00002276832333
                   +2 :               0.00002491820635
             14 vec=   -15.769871     -5.868191      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000890553897
                2p
                   -1 :              -0.00000263846485
                   +0 :               0.00002265004396
                   +1 :               0.00001414172379
                3s
                   +0 :              -0.00004983544291
                4s
                   +0 :               0.00001974614264
                3p
                   -1 :              -0.00002327019009
                   +0 :              -0.00005568809818
                   +1 :               0.00000992149165
                4p
                   -1 :               0.00002832182938
                   +0 :              -0.00001974967683
                   +1 :              -0.00001560704844
                3d
                   -2 :              -0.00001340984106
                   -1 :               0.00005060827356
                   +0 :               0.00000784129424
                   +1 :              -0.00000743062404
                   +2 :               0.00006892487628
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al(  7)  npairs=  13
              1 vec=    -0.209546      3.115567     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00290320893848
                2p
                   -1 :               0.00060375510268
                   +0 :              -0.00099927364929
                   +1 :               0.00037118257091
                3s
                   +0 :              -0.00988372154572
                4s
                   +0 :               0.00338935991865
                3p
                   -1 :              -0.00168263589002
                   +0 :               0.00434081481998
                   +1 :              -0.00812012045556
                4p
                   -1 :              -0.00010283597128
                   +0 :              -0.00105815878858
                   +1 :               0.00073330802544
                3d
                   -2 :              -0.00135696291256
                   -1 :               0.00045117375518
                   +0 :              -0.00019141309560
                   +1 :               0.00212930440373
                   +2 :              -0.00039096250033
              2 vec=    -0.209546     -5.868191     -6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00063280106639
                2p
                   -1 :              -0.00035199325497
                   +0 :               0.00002164449110
                   +1 :              -0.00081266848895
                3s
                   +0 :              -0.00534186851151
                4s
                   +0 :               0.00239522172312
                3p
                   -1 :               0.00407789484748
                   +0 :               0.00162006547265
                   +1 :               0.00501136753159
                4p
                   -1 :              -0.00125433035496
                   +0 :              -0.00065899778535
                   +1 :              -0.00185025721714
                3d
                   -2 :              -0.00163071445201
                   -1 :              -0.00073745004845
                   +0 :              -0.00007400338911
                   +1 :              -0.00080681004342
                   +2 :               0.00078463628921
              3 vec=     7.570617     -1.376312     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00017402869653
                2p
                   -1 :               0.00027453464121
                   +0 :              -0.00026421300929
                   +1 :              -0.00045149680999
                3s
                   +0 :               0.00241660411507
                4s
                   +0 :              -0.00127921032798
                3p
                   -1 :              -0.00232065847956
                   +0 :               0.00076559219545
                   +1 :               0.00323146907394
                4p
                   -1 :               0.00041077912586
                   +0 :               0.00008264982496
                   +1 :              -0.00123768922036
                3d
                   -2 :              -0.00040801866719
                   -1 :               0.00048637964686
                   +0 :              -0.00010533897249
                   +1 :              -0.00010066064774
                   +2 :               0.00049998459809
              4 vec=    -7.989708     -1.376312     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00151698106816
                2p
                   -1 :               0.00009378196359
                   +0 :              -0.00040255472850
                   +1 :              -0.00043978374174
                3s
                   +0 :              -0.00620401798250
                4s
                   +0 :               0.00192520002451
                3p
                   -1 :              -0.00008881713546
                   +0 :               0.00245777698633
                   +1 :               0.00257906083924
                4p
                   -1 :               0.00015518141770
                   +0 :              -0.00065509579417
                   +1 :              -0.00060158808032
                3d
                   -2 :               0.00026024548273
                   -1 :               0.00011202603786
                   +0 :              -0.00046648197474
                   +1 :              -0.00033535736468
                   +2 :              -0.00043408144498
              5 vec=     7.570617      7.607446     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00048177123437
                2p
                   -1 :               0.00005041113610
                   +0 :              -0.00027835365335
                   +1 :               0.00028144372595
                3s
                   +0 :              -0.00160514732980
                4s
                   +0 :               0.00068973359829
                3p
                   -1 :              -0.00023364846323
                   +0 :               0.00135195513754
                   +1 :              -0.00139560284906
                4p
                   -1 :               0.00005686167230
                   +0 :              -0.00040610253235
                   +1 :               0.00040658234973
                3d
                   -2 :              -0.00001370083362
                   -1 :               0.00007825046359
                   +0 :              -0.00004096198736
                   +1 :               0.00027835534188
                   +2 :              -0.00012645019019
              6 vec=    -7.989708      7.607446     -6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00016279432269
                2p
                   -1 :               0.00000842445147
                   +0 :              -0.00014629448385
                   +1 :              -0.00000475021947
                3s
                   +0 :              -0.00108020294907
                4s
                   +0 :               0.00019629230551
                3p
                   -1 :              -0.00020697709162
                   +0 :               0.00107580260751
                   +1 :               0.00009918324888
                4p
                   -1 :               0.00006854558747
                   +0 :              -0.00021310427944
                   +1 :               0.00014495552356
                3d
                   -2 :               0.00006658507736
                   -1 :               0.00015834101000
                   +0 :              -0.00020987867983
                   +1 :              -0.00021828114059
                   +2 :               0.00007976882385
              7 vec=    -0.209546     12.099325     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00001813180096
                2p
                   -1 :              -0.00000115798642
                   +0 :               0.00003909365079
                   +1 :               0.00008890097226
                3s
                   +0 :              -0.00019098115521
                4s
                   +0 :               0.00006640954976
                3p
                   -1 :              -0.00007068486012
                   +0 :              -0.00016989027429
                   +1 :              -0.00040853293146
                4p
                   -1 :               0.00000290941917
                   +0 :               0.00002439822084
                   +1 :               0.00009743392299
                3d
                   -2 :               0.00003010625761
                   -1 :              -0.00002219990221
                   +0 :              -0.00003501630528
                   +1 :               0.00015474085860
                   +2 :               0.00001917569216
              8 vec=     7.570617    -10.360070     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00011362024584
                2p
                   -1 :               0.00002662208718
                   +0 :               0.00010712737721
                   +1 :              -0.00004039141292
                3s
                   +0 :               0.00075806663640
                4s
                   +0 :              -0.00032571471195
                3p
                   -1 :              -0.00042852447239
                   +0 :              -0.00063485576963
                   +1 :               0.00032446228831
                4p
                   -1 :               0.00018461132600
                   +0 :               0.00015429481973
                   +1 :              -0.00011802260304
                3d
                   -2 :              -0.00010168877829
                   -1 :               0.00004383016085
                   +0 :               0.00002045541944
                   +1 :              -0.00003988662682
                   +2 :              -0.00002013918449
              9 vec=    -7.989708    -10.360070     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00010899574500
                2p
                   -1 :               0.00002865159769
                   +0 :               0.00000759427674
                   +1 :               0.00001495659999
                3s
                   +0 :               0.00019488508474
                4s
                   +0 :               0.00001770522743
                3p
                   -1 :              -0.00015637112380
                   +0 :               0.00007427411374
                   +1 :               0.00002104909016
                4p
                   -1 :               0.00003437455483
                   +0 :              -0.00006264125959
                   +1 :              -0.00004285317281
                3d
                   -2 :              -0.00007315637113
                   -1 :               0.00003157669425
                   +0 :              -0.00009641784216
                   +1 :               0.00003824719096
                   +2 :              -0.00007173300584
             10 vec=    -0.209546    -14.851949     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00002753350026
                2p
                   -1 :              -0.00000586980628
                   +0 :               0.00001982065179
                   +1 :              -0.00002444328012
                3s
                   +0 :              -0.00005668787717
                4s
                   +0 :               0.00002604479749
                3p
                   -1 :               0.00000821639158
                   +0 :              -0.00009477676115
                   +1 :               0.00011989125464
                4p
                   -1 :              -0.00000383720909
                   +0 :               0.00000085560560
                   +1 :              -0.00002149079410
                3d
                   -2 :              -0.00006163666128
                   -1 :               0.00003307384406
                   +0 :              -0.00000813926539
                   +1 :              -0.00000724146154
                   +2 :               0.00000244491800
             11 vec=    15.350780      3.115567     -6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00009172637303
                2p
                   -1 :              -0.00001593564166
                   +0 :               0.00002568470635
                   +1 :              -0.00001968730100
                3s
                   +0 :               0.00056684915149
                4s
                   +0 :              -0.00011915855354
                3p
                   -1 :               0.00013578782149
                   +0 :              -0.00027339806186
                   +1 :               0.00020488722048
                4p
                   -1 :              -0.00000579454324
                   +0 :               0.00004568964705
                   +1 :              -0.00001447889400
                3d
                   -2 :               0.00003099066870
                   -1 :              -0.00002438814627
                   +0 :               0.00003436230798
                   +1 :              -0.00006996645632
                   +2 :               0.00004908043558
             12 vec=   -15.769871      3.115567     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00001912750663
                2p
                   -1 :               0.00001157229337
                   +0 :               0.00000084228624
                   +1 :               0.00002968253729
                3s
                   +0 :              -0.00022447558930
                4s
                   +0 :               0.00003250719255
                3p
                   -1 :              -0.00010749347938
                   +0 :               0.00006654639778
                   +1 :              -0.00008890679063
                4p
                   -1 :               0.00002730015058
                   +0 :              -0.00000264315370
                   +1 :               0.00004019108788
                3d
                   -2 :               0.00003479582285
                   -1 :               0.00001129399200
                   +0 :              -0.00000658130653
                   +1 :              -0.00000017238167
                   +2 :               0.00000322642603
             13 vec=    15.350780     -5.868191     -6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00003355578825
                2p
                   -1 :               0.00002733624197
                   +0 :              -0.00000422290038
                   +1 :               0.00001841256889
                3s
                   +0 :               0.00017449580679
                4s
                   +0 :              -0.00005514404461
                3p
                   -1 :              -0.00014742847924
                   +0 :               0.00000448494029
                   +1 :              -0.00009073156230
                4p
                   -1 :               0.00003897740159
                   +0 :               0.00000273863531
                   +1 :               0.00002824201278
                3d
                   -2 :               0.00000354337868
                   -1 :               0.00000564286858
                   +0 :               0.00002490369296
                   +1 :               0.00003113897216
                   +2 :               0.00000997001373
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al(  8)  npairs=  15
              1 vec=    -0.209546      3.115567     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00019296849333
                2p
                   -1 :              -0.00030340460015
                   +0 :               0.00005561958527
                   +1 :               0.00012073523165
                3s
                   +0 :              -0.00075741517712
                4s
                   +0 :               0.00022396999431
                3p
                   -1 :               0.00101675943106
                   +0 :              -0.00012832818954
                   +1 :              -0.00117531150415
                4p
                   -1 :              -0.00030794234032
                   +0 :              -0.00009194294857
                   +1 :               0.00019650217232
                3d
                   -2 :               0.00017837667063
                   -1 :               0.00007463893533
                   +0 :               0.00013049691852
                   +1 :              -0.00015702422535
                   +2 :               0.00014541337625
              2 vec=    -0.209546     -5.868191     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00046613995807
                2p
                   -1 :              -0.00018476813774
                   +0 :               0.00011944724362
                   +1 :              -0.00032821371441
                3s
                   +0 :              -0.00133011361376
                4s
                   +0 :               0.00020861503168
                3p
                   -1 :               0.00079817260231
                   +0 :              -0.00035199263030
                   +1 :               0.00184689728427
                4p
                   -1 :              -0.00011431917033
                   +0 :              -0.00001553106612
                   +1 :              -0.00032783281295
                3d
                   -2 :              -0.00019198094558
                   -1 :               0.00014661947315
                   +0 :               0.00016672700089
                   +1 :               0.00047224806352
                   +2 :               0.00007725201385
              3 vec=     7.570617     -1.376312     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00022592670424
                2p
                   -1 :              -0.00008129404541
                   +0 :              -0.00007612888667
                   +1 :              -0.00005297623666
                3s
                   +0 :               0.00161937836337
                4s
                   +0 :              -0.00022001898416
                3p
                   -1 :               0.00024087573510
                   +0 :               0.00091702810684
                   +1 :               0.00086860304888
                4p
                   -1 :              -0.00016286722903
                   +0 :              -0.00006812766122
                   +1 :              -0.00008785136091
                3d
                   -2 :               0.00011546379481
                   -1 :               0.00000664157787
                   +0 :               0.00010418193738
                   +1 :               0.00030171405252
                   +2 :               0.00015233189282
              4 vec=    -7.989708     -1.376312     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00013347871339
                2p
                   -1 :              -0.00010351832684
                   +0 :              -0.00009011151524
                   +1 :              -0.00008683673233
                3s
                   +0 :              -0.00098250073531
                4s
                   +0 :               0.00022382523687
                3p
                   -1 :               0.00078240407326
                   +0 :              -0.00062045595047
                   +1 :               0.00128258140735
                4p
                   -1 :              -0.00005730161150
                   +0 :               0.00014946971325
                   +1 :              -0.00027910112723
                3d
                   -2 :              -0.00017367967106
                   -1 :               0.00033433672233
                   +0 :              -0.00021073781947
                   +1 :               0.00023258978620
                   +2 :              -0.00016638465899
              5 vec=    -0.209546      3.115567    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00005270347072
                2p
                   -1 :               0.00000780603662
                   +0 :               0.00004930741068
                   +1 :               0.00005848263860
                3s
                   +0 :               0.00019266879457
                4s
                   +0 :              -0.00004431549373
                3p
                   -1 :              -0.00010628994734
                   +0 :              -0.00027383613252
                   +1 :              -0.00024219029609
                4p
                   -1 :               0.00007298815058
                   +0 :               0.00007760070132
                   +1 :               0.00006182573968
                3d
                   -2 :              -0.00000109828723
                   -1 :               0.00000034570044
                   +0 :               0.00002209615621
                   +1 :              -0.00003105369413
                   +2 :              -0.00001886833872
              6 vec=    -0.209546     -5.868191    -13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00000631068918
                2p
                   -1 :              -0.00006798944090
                   +0 :               0.00004055258475
                   +1 :              -0.00002118779867
                3s
                   +0 :               0.00003482232375
                4s
                   +0 :              -0.00001563577510
                3p
                   -1 :               0.00032367866154
                   +0 :              -0.00023261155640
                   +1 :               0.00006631172162
                4p
                   -1 :              -0.00005760811915
                   +0 :               0.00006111323699
                   +1 :              -0.00000538157887
                3d
                   -2 :               0.00003568038158
                   -1 :               0.00002480559968
                   +0 :               0.00003971360726
                   +1 :               0.00001648623353
                   +2 :               0.00001999231551
              7 vec=     7.570617      7.607446     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00002514919098
                2p
                   -1 :               0.00003875845829
                   +0 :              -0.00000547836423
                   +1 :              -0.00006119225860
                3s
                   +0 :               0.00040144495758
                4s
                   +0 :              -0.00010824074729
                3p
                   -1 :               0.00002818780248
                   +0 :               0.00017197580631
                   +1 :               0.00028839414503
                4p
                   -1 :               0.00001048337937
                   +0 :              -0.00003672068679
                   +1 :              -0.00008866522080
                3d
                   -2 :               0.00005537356190
                   -1 :               0.00001089467337
                   +0 :               0.00005107075654
                   +1 :               0.00002963269374
                   +2 :              -0.00005705393228
              8 vec=    -7.989708      7.607446     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00003957538489
                2p
                   -1 :               0.00001608493650
                   +0 :              -0.00003133369766
                   +1 :               0.00003403881306
                3s
                   +0 :              -0.00000222424955
                4s
                   +0 :              -0.00003563853170
                3p
                   -1 :              -0.00021044617805
                   +0 :               0.00010728807337
                   +1 :              -0.00023367618586
                4p
                   -1 :               0.00002197210152
                   +0 :              -0.00004296249158
                   +1 :               0.00005167107574
                3d
                   -2 :              -0.00001194997517
                   -1 :              -0.00002168821472
                   +0 :               0.00001663147824
                   +1 :              -0.00004005172817
                   +2 :               0.00006870097750
              9 vec=     7.570617     -1.376312    -13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00007801919189
                2p
                   -1 :               0.00000475795286
                   +0 :               0.00000753447944
                   +1 :               0.00002213644103
                3s
                   +0 :              -0.00019982547588
                4s
                   +0 :               0.00000934631710
                3p
                   -1 :              -0.00003709885349
                   +0 :              -0.00010149184803
                   +1 :              -0.00010587866157
                4p
                   -1 :               0.00001854316725
                   +0 :               0.00006662075008
                   +1 :              -0.00000317158174
                3d
                   -2 :               0.00001763401742
                   -1 :               0.00000284823025
                   +0 :               0.00005510891270
                   +1 :              -0.00003398275385
                   +2 :              -0.00004947761766
             10 vec=    -7.989708     -1.376312    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00001722651578
                2p
                   -1 :               0.00001671377566
                   +0 :               0.00002241302746
                   +1 :              -0.00000909897172
                3s
                   +0 :               0.00001221337017
                4s
                   +0 :               0.00003692972189
                3p
                   -1 :              -0.00004618032752
                   +0 :              -0.00009190526561
                   +1 :               0.00003304614514
                4p
                   -1 :              -0.00000493947973
                   +0 :              -0.00000082179887
                   +1 :              -0.00000696137888
                3d
                   -2 :               0.00002079299935
                   -1 :              -0.00003722968683
                   +0 :               0.00000501826121
                   +1 :               0.00002340444917
                   +2 :              -0.00004552377682
             11 vec=    -0.209546     12.099325     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00004554654183
                2p
                   -1 :               0.00000919290773
                   +0 :               0.00001884402728
                   +1 :               0.00001372274351
                3s
                   +0 :              -0.00021141021960
                4s
                   +0 :               0.00009954779250
                3p
                   -1 :              -0.00006771319398
                   +0 :              -0.00009296196107
                   +1 :              -0.00000752934619
                4p
                   -1 :               0.00002342257533
                   +0 :               0.00005042500231
                   +1 :               0.00000432630057
                3d
                   -2 :               0.00000611862151
                   -1 :              -0.00005198070267
                   +0 :              -0.00006060386967
                   +1 :               0.00000938717920
                   +2 :              -0.00000973402273
             12 vec=     7.570617    -10.360070     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00003695692438
                2p
                   -1 :              -0.00003599447758
                   +0 :               0.00007348224047
                   +1 :              -0.00000614634043
                3s
                   +0 :              -0.00009657372096
                4s
                   +0 :               0.00008630037988
                3p
                   -1 :               0.00015390450862
                   +0 :              -0.00040676108441
                   +1 :               0.00004302406182
                4p
                   -1 :              -0.00004738045386
                   +0 :               0.00012321526076
                   +1 :               0.00000964940555
                3d
                   -2 :               0.00000394995078
                   -1 :               0.00006062458299
                   +0 :              -0.00012279324059
                   +1 :              -0.00000613423728
                   +2 :               0.00009438802322
             13 vec=    -7.989708    -10.360070     10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00003952959645
                2p
                   -1 :               0.00002348709628
                   +0 :               0.00000223781986
                   +1 :               0.00000011717747
                3s
                   +0 :              -0.00024445431194
                4s
                   +0 :               0.00008150402808
                3p
                   -1 :              -0.00010306136934
                   +0 :              -0.00005513989981
                   +1 :               0.00006547813389
                4p
                   -1 :               0.00003246604510
                   +0 :               0.00000623870721
                   +1 :              -0.00003419695549
                3d
                   -2 :               0.00001519196299
                   -1 :              -0.00000660762753
                   +0 :              -0.00004484041581
                   +1 :              -0.00001867471979
                   +2 :              -0.00002580424805
             14 vec=     7.570617      7.607446    -13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00001019228936
                2p
                   -1 :               0.00000803943071
                   +0 :               0.00000492332606
                   +1 :               0.00001000212328
                3s
                   +0 :               0.00020894078196
                4s
                   +0 :              -0.00001991251535
                3p
                   -1 :               0.00004636813465
                   +0 :              -0.00008446896424
                   +1 :               0.00012005556061
                4p
                   -1 :               0.00000048708933
                   +0 :               0.00003918419768
                   +1 :               0.00001167555745
                3d
                   -2 :               0.00004059670557
                   -1 :              -0.00000381391813
                   +0 :              -0.00001657678687
                   +1 :              -0.00002341040776
                   +2 :               0.00002437691156
             15 vec=    -7.989708      7.607446    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00002779557043
                2p
                   -1 :               0.00000895905968
                   +0 :               0.00001732501871
                   +1 :              -0.00000785942527
                3s
                   +0 :              -0.00022002779622
                4s
                   +0 :               0.00003115675995
                3p
                   -1 :              -0.00011580720761
                   +0 :              -0.00009406476277
                   +1 :               0.00010098457990
                4p
                   -1 :               0.00000511618669
                   +0 :               0.00002600327972
                   +1 :              -0.00000857329798
                3d
                   -2 :               0.00004229217323
                   -1 :               0.00000647793470
                   +0 :               0.00004514534792
                   +1 :               0.00001018858692
                   +2 :               0.00001505358288
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al(  9)  npairs=  13
              1 vec=    -2.802933     -1.376312      6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00266520729399
                2p
                   -1 :              -0.00045445277585
                   +0 :               0.00155269996952
                   +1 :              -0.00036374516945
                3s
                   +0 :              -0.00902054832374
                4s
                   +0 :               0.00395790131792
                3p
                   -1 :               0.00531061912023
                   +0 :              -0.00324551326522
                   +1 :               0.00040722197063
                4p
                   -1 :              -0.00114418330455
                   +0 :               0.00164681695894
                   +1 :              -0.00045826912010
                3d
                   -2 :               0.00022612853279
                   -1 :               0.00029650426690
                   +0 :               0.00085617646841
                   +1 :              -0.00122580973277
                   +2 :               0.00014264499498
              2 vec=     4.977229      3.115567      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00127266924153
                2p
                   -1 :               0.00045124515922
                   +0 :              -0.00031719190750
                   +1 :              -0.00000685463003
                3s
                   +0 :               0.01215527443005
                4s
                   +0 :              -0.00074786077698
                3p
                   -1 :              -0.00017290135904
                   +0 :               0.00723158088774
                   +1 :               0.00418619195704
                4p
                   -1 :               0.00132303986207
                   +0 :              -0.00020205022254
                   +1 :               0.00042423551177
                3d
                   -2 :               0.00066375429006
                   -1 :               0.00086435332673
                   +0 :               0.00065203722282
                   +1 :               0.00216027104883
                   +2 :               0.00166739997295
              3 vec=     4.977229     -5.868191      6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00121859023767
                2p
                   -1 :               0.00063602462821
                   +0 :              -0.00026212688777
                   +1 :              -0.00077542525006
                3s
                   +0 :               0.00618589691804
                4s
                   +0 :              -0.00289641558960
                3p
                   -1 :              -0.00386836769340
                   +0 :               0.00273211822095
                   +1 :               0.00492620552816
                4p
                   -1 :               0.00143707239251
                   +0 :              -0.00097483306365
                   +1 :              -0.00153679996579
                3d
                   -2 :              -0.00103453257175
                   -1 :              -0.00039981268135
                   +0 :              -0.00022894692971
                   +1 :               0.00082474429188
                   +2 :              -0.00008944152048
              4 vec=    -2.802933      7.607446      6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00047888774227
                2p
                   -1 :              -0.00004458101287
                   +0 :               0.00018684500452
                   +1 :              -0.00003404769215
                3s
                   +0 :              -0.00173081569820
                4s
                   +0 :               0.00036174487560
                3p
                   -1 :               0.00028531729557
                   +0 :              -0.00042472777646
                   +1 :              -0.00003364467021
                4p
                   -1 :              -0.00026861105874
                   +0 :               0.00010340919887
                   +1 :              -0.00001568747573
                3d
                   -2 :               0.00007924187716
                   -1 :               0.00009353973987
                   +0 :              -0.00049220854251
                   +1 :              -0.00054518488595
                   +2 :              -0.00016297816946
              5 vec=    -2.802933    -10.360070      6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00030649697762
                2p
                   -1 :               0.00002842279319
                   +0 :               0.00023219604037
                   +1 :               0.00014598827721
                3s
                   +0 :              -0.00187876859065
                4s
                   +0 :               0.00068299311414
                3p
                   -1 :               0.00031378497111
                   +0 :              -0.00168026976146
                   +1 :              -0.00083877165484
                4p
                   -1 :              -0.00003786266390
                   +0 :               0.00042856728665
                   +1 :               0.00024999202373
                3d
                   -2 :               0.00008008121184
                   -1 :               0.00031649474953
                   +0 :              -0.00015435069960
                   +1 :              -0.00004947954455
                   +2 :               0.00001622964190
              6 vec=   -10.583096      3.115567      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00023323898575
                2p
                   -1 :              -0.00003765715112
                   +0 :              -0.00002134499733
                   +1 :               0.00005589412078
                3s
                   +0 :              -0.00177800125875
                4s
                   +0 :               0.00029090356871
                3p
                   -1 :               0.00003579896854
                   +0 :              -0.00068356235896
                   +1 :               0.00030308572318
                4p
                   -1 :              -0.00019475778496
                   +0 :               0.00006729825948
                   +1 :               0.00002072019030
                3d
                   -2 :               0.00014549618299
                   -1 :              -0.00010047120648
                   +0 :              -0.00002144065001
                   +1 :               0.00017212344762
                   +2 :              -0.00015734725253
              7 vec=   -10.583096     -5.868191      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00002348852236
                2p
                   -1 :               0.00008258455384
                   +0 :              -0.00003007924740
                   +1 :              -0.00018110103783
                3s
                   +0 :              -0.00071358151117
                4s
                   +0 :               0.00049382199392
                3p
                   -1 :               0.00003901062130
                   +0 :              -0.00002998675901
                   +1 :               0.00130435438958
                4p
                   -1 :              -0.00015859107502
                   +0 :               0.00010250650716
                   +1 :              -0.00050267290882
                3d
                   -2 :              -0.00015286926874
                   -1 :               0.00012049999115
                   +0 :               0.00006314202549
                   +1 :              -0.00003091668173
                   +2 :              -0.00004113935898
              8 vec=    12.757392     -1.376312      6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00026115080503
                2p
                   -1 :              -0.00007771459410
                   +0 :              -0.00016788430458
                   +1 :              -0.00007391483715
                3s
                   +0 :               0.00114838708851
                4s
                   +0 :              -0.00031028109286
                3p
                   -1 :               0.00039445310861
                   +0 :               0.00091070106088
                   +1 :               0.00045674977252
                4p
                   -1 :              -0.00012306491962
                   +0 :              -0.00017895418250
                   +1 :              -0.00006957575599
                3d
                   -2 :               0.00002778877024
                   -1 :               0.00004865018334
                   +0 :               0.00006732166052
                   +1 :               0.00010783253248
                   +2 :              -0.00000972586873
              9 vec=     4.977229     12.099325      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00001013547693
                2p
                   -1 :               0.00001272901668
                   +0 :               0.00002544948820
                   +1 :               0.00006035471243
                3s
                   +0 :               0.00007603841947
                4s
                   +0 :              -0.00002312504731
                3p
                   -1 :              -0.00002955062649
                   +0 :              -0.00014801096988
                   +1 :              -0.00040876343534
                4p
                   -1 :               0.00000657203961
                   +0 :               0.00001152356920
                   +1 :               0.00006614428696
                3d
                   -2 :              -0.00004227449286
                   -1 :              -0.00000039170817
                   +0 :              -0.00001714882194
                   +1 :              -0.00004373705473
                   +2 :               0.00000640851085
             10 vec=    12.757392      7.607446      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00012039925758
                2p
                   -1 :              -0.00001882607255
                   +0 :              -0.00006258226685
                   +1 :              -0.00004294799955
                3s
                   +0 :               0.00043312132869
                4s
                   +0 :              -0.00006066158160
                3p
                   -1 :               0.00009836033634
                   +0 :               0.00029090672152
                   +1 :               0.00012783705848
                4p
                   -1 :              -0.00001718681063
                   +0 :              -0.00004744184507
                   +1 :               0.00002529776580
                3d
                   -2 :               0.00000479163075
                   -1 :               0.00002177791362
                   +0 :               0.00002947859692
                   +1 :               0.00006730538886
                   +2 :               0.00001160714508
             11 vec=     4.977229    -14.851949      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00002708407359
                2p
                   -1 :              -0.00001756250829
                   +0 :              -0.00000228660170
                   +1 :              -0.00001485346032
                3s
                   +0 :               0.00017966530811
                4s
                   +0 :              -0.00003333099306
                3p
                   -1 :               0.00002261068405
                   +0 :               0.00009256187641
                   +1 :               0.00005840629139
                4p
                   -1 :              -0.00001898014035
                   +0 :              -0.00001387068645
                   +1 :              -0.00001366952405
                3d
                   -2 :              -0.00006009849828
                   -1 :              -0.00003274737441
                   +0 :               0.00002011125689
                   +1 :               0.00003128778639
                   +2 :              -0.00000932576609
             12 vec=   -10.583096     12.099325      6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00005766428291
                2p
                   -1 :              -0.00001708360420
                   +0 :               0.00002817405896
                   +1 :              -0.00001263597150
                3s
                   +0 :              -0.00030761309630
                4s
                   +0 :               0.00007112455366
                3p
                   -1 :               0.00007717371814
                   +0 :              -0.00019480422434
                   +1 :               0.00009857107792
                4p
                   -1 :              -0.00003723913404
                   +0 :               0.00003808018449
                   +1 :              -0.00001802228822
                3d
                   -2 :               0.00000014961442
                   -1 :              -0.00001439806531
                   +0 :              -0.00001961885139
                   +1 :               0.00003780004042
                   +2 :              -0.00002781724200
             13 vec=    12.757392    -10.360070      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00005121155794
                2p
                   -1 :              -0.00000742287174
                   +0 :               0.00000142844044
                   +1 :              -0.00002543548389
                3s
                   +0 :               0.00026152865496
                4s
                   +0 :              -0.00009881127573
                3p
                   -1 :               0.00004725536781
                   +0 :               0.00002943565777
                   +1 :               0.00021065928538
                4p
                   -1 :              -0.00001401811709
                   +0 :              -0.00001740662020
                   +1 :              -0.00007427293383
                3d
                   -2 :              -0.00001215016643
                   -1 :               0.00002068979364
                   +0 :               0.00000362822967
                   +1 :              -0.00000704679167
                   +2 :               0.00001826100811
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al( 10)  npairs=  15
              1 vec=    -2.802933     -1.376312    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00058627542331
                2p
                   -1 :               0.00015811680249
                   +0 :               0.00021326688162
                   +1 :               0.00008207001115
                3s
                   +0 :               0.00168542922729
                4s
                   +0 :              -0.00041828976138
                3p
                   -1 :              -0.00082532608214
                   +0 :              -0.00112360436749
                   +1 :              -0.00107006092744
                4p
                   -1 :               0.00012747501173
                   +0 :               0.00032238529312
                   +1 :               0.00015520736693
                3d
                   -2 :              -0.00003812882328
                   -1 :               0.00029525312082
                   +0 :              -0.00018313186880
                   +1 :               0.00026406507039
                   +2 :               0.00000197681240
              2 vec=     4.977229      3.115567    -10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00024230717227
                2p
                   -1 :               0.00009413009776
                   +0 :              -0.00010620209403
                   +1 :               0.00009262811980
                3s
                   +0 :              -0.00027116556290
                4s
                   +0 :              -0.00001977582812
                3p
                   -1 :              -0.00047333164908
                   +0 :               0.00035580038394
                   +1 :              -0.00028007028967
                4p
                   -1 :              -0.00004645365201
                   +0 :               0.00002780722199
                   +1 :               0.00011475271838
                3d
                   -2 :              -0.00028218113607
                   -1 :               0.00021004786740
                   +0 :              -0.00018045764738
                   +1 :               0.00008093777099
                   +2 :              -0.00001060485851
              3 vec=     4.977229     -5.868191    -10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00032441856605
                2p
                   -1 :               0.00027488921575
                   +0 :               0.00015868746929
                   +1 :              -0.00005492904877
                3s
                   +0 :               0.00056128677836
                4s
                   +0 :              -0.00016926150338
                3p
                   -1 :              -0.00116460929868
                   +0 :              -0.00038762622100
                   +1 :              -0.00028110196012
                4p
                   -1 :               0.00029832386664
                   +0 :               0.00010430388808
                   +1 :               0.00015645983998
                3d
                   -2 :              -0.00001082223125
                   -1 :               0.00021096279715
                   +0 :               0.00008345226294
                   +1 :               0.00006479064386
                   +2 :              -0.00023944974887
              4 vec=    -2.802933      7.607446    -10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00006313365977
                2p
                   -1 :              -0.00010426180133
                   +0 :               0.00011630396433
                   +1 :              -0.00009411805384
                3s
                   +0 :              -0.00105670209185
                4s
                   +0 :               0.00010178911330
                3p
                   -1 :              -0.00055403512668
                   +0 :               0.00039231275755
                   +1 :               0.00062412369301
                4p
                   -1 :              -0.00000021038635
                   +0 :               0.00007693681452
                   +1 :              -0.00021181223025
                3d
                   -2 :               0.00010248894601
                   -1 :               0.00023116837973
                   +0 :               0.00004221247981
                   +1 :              -0.00007185418045
                   +2 :               0.00027553444296
              5 vec=    -2.802933     -1.376312     13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00013090745466
                2p
                   -1 :               0.00002445485509
                   +0 :              -0.00003164778260
                   +1 :               0.00006426530218
                3s
                   +0 :               0.00022619363144
                4s
                   +0 :              -0.00003402315692
                3p
                   -1 :              -0.00015571192424
                   +0 :               0.00013752432179
                   +1 :              -0.00021044497644
                4p
                   -1 :               0.00002617353431
                   +0 :              -0.00000393930711
                   +1 :               0.00002204884680
                3d
                   -2 :              -0.00000747447857
                   -1 :              -0.00003441432266
                   +0 :               0.00001359688780
                   +1 :              -0.00002901535923
                   +2 :               0.00000390835534
              6 vec=     4.977229      3.115567     13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00004972050326
                2p
                   -1 :               0.00004999041585
                   +0 :              -0.00001243473756
                   +1 :               0.00003255837685
                3s
                   +0 :              -0.00013353823854
                4s
                   +0 :               0.00000538759209
                3p
                   -1 :              -0.00040512829137
                   +0 :               0.00004269908043
                   +1 :              -0.00030324412984
                4p
                   -1 :               0.00007892941309
                   +0 :              -0.00002391126049
                   +1 :               0.00001721369437
                3d
                   -2 :              -0.00006699316748
                   -1 :              -0.00001585476211
                   +0 :               0.00002149370760
                   +1 :               0.00000859292003
                   +2 :              -0.00001163225094
              7 vec=    -2.802933    -10.360070    -10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00007414123952
                2p
                   -1 :               0.00005429070072
                   +0 :               0.00005975725420
                   +1 :              -0.00001455314336
                3s
                   +0 :               0.00052930148823
                4s
                   +0 :              -0.00023007952254
                3p
                   -1 :              -0.00044814292978
                   +0 :              -0.00046129160374
                   +1 :               0.00003469331286
                4p
                   -1 :               0.00014727841046
                   +0 :               0.00011641024673
                   +1 :              -0.00002894147075
                3d
                   -2 :               0.00003590020383
                   -1 :               0.00011261323124
                   +0 :               0.00008763499480
                   +1 :               0.00000979790285
                   +2 :              -0.00008161422317
              8 vec=   -10.583096      3.115567    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00002624721041
                2p
                   -1 :              -0.00001872133173
                   +0 :               0.00002851064002
                   +1 :               0.00000831087315
                3s
                   +0 :              -0.00014150600830
                4s
                   +0 :              -0.00003678696039
                3p
                   -1 :               0.00019628395850
                   +0 :              -0.00013641808460
                   +1 :              -0.00007449019891
                4p
                   -1 :              -0.00005520481854
                   +0 :               0.00006177980639
                   +1 :               0.00006827492524
                3d
                   -2 :              -0.00006396820654
                   -1 :              -0.00002815973079
                   +0 :              -0.00001582804122
                   +1 :               0.00002832332305
                   +2 :               0.00001331352482
              9 vec=     4.977229     -5.868191     13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00000796903691
                2p
                   -1 :              -0.00001419351329
                   +0 :               0.00003288985673
                   +1 :               0.00000001818421
                3s
                   +0 :               0.00021874279897
                4s
                   +0 :              -0.00003123611164
                3p
                   -1 :              -0.00016703352008
                   +0 :              -0.00013356014646
                   +1 :               0.00002771847510
                4p
                   -1 :               0.00002127831708
                   +0 :               0.00002190640389
                   +1 :              -0.00006385811409
                3d
                   -2 :              -0.00000836697143
                   -1 :              -0.00003113137996
                   +0 :              -0.00007964393327
                   +1 :              -0.00001283655317
                   +2 :              -0.00010758698067
             10 vec=    -2.802933      7.607446     13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00002085213797
                2p
                   -1 :               0.00001677566490
                   +0 :               0.00001579120767
                   +1 :              -0.00003180040661
                3s
                   +0 :               0.00023396558004
                4s
                   +0 :              -0.00001835815550
                3p
                   -1 :               0.00005432867484
                   +0 :              -0.00009166282735
                   +1 :              -0.00000577660178
                4p
                   -1 :              -0.00001133324103
                   +0 :               0.00003749373921
                   +1 :              -0.00001031701033
                3d
                   -2 :               0.00000970344011
                   -1 :              -0.00001579905899
                   +0 :              -0.00009313951021
                   +1 :               0.00002831183398
                   +2 :               0.00005078457400
             11 vec=   -10.583096     -5.868191    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00025260762871
                2p
                   -1 :               0.00003205415289
                   +0 :               0.00009240775899
                   +1 :               0.00011478905588
                3s
                   +0 :               0.00079704881043
                4s
                   +0 :              -0.00026187274887
                3p
                   -1 :              -0.00012408136490
                   +0 :              -0.00042026555380
                   +1 :              -0.00049864538769
                4p
                   -1 :               0.00001729580989
                   +0 :               0.00011739386949
                   +1 :               0.00010149329944
                3d
                   -2 :              -0.00000199372583
                   -1 :               0.00003974591639
                   +0 :               0.00002646758140
                   +1 :               0.00009097677215
                   +2 :               0.00005250137588
             12 vec=    12.757392     -1.376312    -10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00002996665051
                2p
                   -1 :              -0.00000197398732
                   +0 :              -0.00004653405231
                   +1 :               0.00002821481620
                3s
                   +0 :              -0.00002173780601
                4s
                   +0 :               0.00010569803252
                3p
                   -1 :              -0.00005350908806
                   +0 :               0.00016172517393
                   +1 :              -0.00011436953026
                4p
                   -1 :               0.00000068079445
                   +0 :              -0.00008820279884
                   +1 :               0.00006420382098
                3d
                   -2 :              -0.00008253554009
                   -1 :               0.00000404178703
                   +0 :              -0.00005295373680
                   +1 :               0.00001413838356
                   +2 :              -0.00001106182352
             13 vec=     4.977229     12.099325    -10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00007758410767
                2p
                   -1 :              -0.00004622594333
                   +0 :               0.00002928702759
                   +1 :              -0.00001917540969
                3s
                   +0 :               0.00027362451468
                4s
                   +0 :              -0.00006203853811
                3p
                   -1 :               0.00022108789624
                   +0 :              -0.00016739859291
                   +1 :               0.00012780855924
                4p
                   -1 :              -0.00004565787694
                   +0 :               0.00002824835163
                   +1 :              -0.00005395205374
                3d
                   -2 :               0.00005441037132
                   -1 :              -0.00005153464042
                   +0 :               0.00001273544518
                   +1 :              -0.00000190011098
                   +2 :              -0.00001098937705
             14 vec=    -2.802933    -10.360070     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00004577113818
                2p
                   -1 :              -0.00002173132674
                   +0 :              -0.00001198551290
                   +1 :              -0.00000280787792
                3s
                   +0 :              -0.00011045135144
                4s
                   +0 :              -0.00000769714138
                3p
                   -1 :               0.00004041425101
                   +0 :               0.00009885439890
                   +1 :               0.00001966833234
                4p
                   -1 :              -0.00000169497995
                   +0 :              -0.00005064528972
                   +1 :              -0.00000646455598
                3d
                   -2 :               0.00002503934757
                   -1 :              -0.00001254513079
                   +0 :               0.00002224409394
                   +1 :              -0.00001030490890
                   +2 :               0.00000387825315
             15 vec=   -10.583096      3.115567     13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00005966836547
                2p
                   -1 :              -0.00002039493784
                   +0 :              -0.00001483732259
                   +1 :               0.00003034249408
                3s
                   +0 :               0.00001749789741
                4s
                   +0 :              -0.00000403005216
                3p
                   -1 :               0.00005747782724
                   +0 :               0.00002498489194
                   +1 :              -0.00002857574865
                4p
                   -1 :              -0.00000574706801
                   +0 :               0.00000537994908
                   +1 :               0.00000354258510
                3d
                   -2 :              -0.00002583563361
                   -1 :               0.00002231278216
                   +0 :               0.00001899030510
                   +1 :              -0.00000875209070
                   +2 :              -0.00000894246081
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al( 11)  npairs=  14
              1 vec=    -2.802933     -1.376312      1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.03997107102446
                2p
                   -1 :               0.02099270827483
                   +0 :              -0.02541651504583
                   +1 :               0.03187222953534
                3s
                   +0 :              -0.09891922626033
                4s
                   +0 :              -0.01262749972955
                3p
                   -1 :               0.03440023704402
                   +0 :              -0.04675289347865
                   +1 :               0.05502792620155
                4p
                   -1 :               0.01317979062572
                   +0 :              -0.01176231462726
                   +1 :               0.01594684531757
                3d
                   -2 :              -0.03657802547943
                   -1 :               0.03133841466739
                   +0 :              -0.00313035607697
                   +1 :               0.04432424321510
                   +2 :              -0.01021989983182
              2 vec=     4.977229      3.115567      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00424045363263
                2p
                   -1 :              -0.00192892976171
                   +0 :              -0.00086897165133
                   +1 :              -0.00317967576478
                3s
                   +0 :               0.00785841763136
                4s
                   +0 :              -0.00618099743886
                3p
                   -1 :               0.00425417829689
                   +0 :               0.00337622477607
                   +1 :               0.01090071864625
                4p
                   -1 :              -0.00226668236151
                   +0 :              -0.00127174942826
                   +1 :              -0.00396550885026
                3d
                   -2 :               0.00095549013136
                   -1 :               0.00070052360493
                   +0 :              -0.00251533361436
                   +1 :               0.00176477987245
                   +2 :               0.00378294383133
              3 vec=     4.977229     -5.868191      1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00018838306827
                2p
                   -1 :               0.00056525357894
                   +0 :               0.00046282755905
                   +1 :              -0.00005777754953
                3s
                   +0 :               0.00616006136617
                4s
                   +0 :              -0.00005391457222
                3p
                   -1 :               0.00098083564382
                   +0 :               0.00228767006669
                   +1 :               0.00364113747237
                4p
                   -1 :               0.00016784436390
                   +0 :               0.00022991944669
                   +1 :              -0.00009103050883
                3d
                   -2 :               0.00050418000077
                   -1 :               0.00045963785183
                   +0 :               0.00068883592371
                   +1 :               0.00100766332572
                   +2 :               0.00210061062543
              4 vec=    -2.802933      7.607446      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00002648474480
                2p
                   -1 :              -0.00035394983916
                   +0 :              -0.00023700488253
                   +1 :               0.00019678462704
                3s
                   +0 :              -0.00457517765409
                4s
                   +0 :               0.00005373962039
                3p
                   -1 :              -0.00126749202403
                   +0 :              -0.00223107775956
                   +1 :              -0.00323322473570
                4p
                   -1 :              -0.00055078358239
                   +0 :              -0.00006531372821
                   +1 :               0.00023180410550
                3d
                   -2 :              -0.00111691534760
                   -1 :              -0.00168174349699
                   +0 :              -0.00038984654894
                   +1 :              -0.00087301015669
                   +2 :               0.00017514850026
              5 vec=    -2.802933    -10.360070      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00032024362365
                2p
                   -1 :              -0.00032271677681
                   +0 :              -0.00023893834106
                   +1 :              -0.00019074212684
                3s
                   +0 :              -0.00001456314252
                4s
                   +0 :               0.00011227492611
                3p
                   -1 :               0.00108402758077
                   +0 :               0.00103033052180
                   +1 :              -0.00011108671713
                4p
                   -1 :              -0.00014779908277
                   +0 :              -0.00005010583194
                   +1 :              -0.00019337687681
                3d
                   -2 :              -0.00063140924572
                   -1 :               0.00005591316201
                   +0 :               0.00011479689660
                   +1 :              -0.00029503897730
                   +2 :               0.00046013675060
              6 vec=   -10.583096      3.115567      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00020828269562
                2p
                   -1 :               0.00029451950404
                   +0 :               0.00011000856178
                   +1 :              -0.00007495666283
                3s
                   +0 :              -0.00204531965670
                4s
                   +0 :               0.00103040558634
                3p
                   -1 :              -0.00194922745243
                   +0 :              -0.00102204621381
                   +1 :               0.00155509323097
                4p
                   -1 :               0.00058490347288
                   +0 :               0.00019965348237
                   +1 :              -0.00047140351097
                3d
                   -2 :               0.00088185003982
                   -1 :              -0.00029991006326
                   +0 :               0.00022901789233
                   +1 :               0.00046126337674
                   +2 :               0.00030634050751
              7 vec=   -10.583096     -5.868191      1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00020972368502
                2p
                   -1 :               0.00000473308874
                   +0 :               0.00011475968323
                   +1 :              -0.00017373759911
                3s
                   +0 :              -0.00083911457484
                4s
                   +0 :               0.00003660056432
                3p
                   -1 :              -0.00003234135482
                   +0 :              -0.00076599925868
                   +1 :               0.00112296551295
                4p
                   -1 :               0.00010974137464
                   +0 :               0.00005574287026
                   +1 :              -0.00028000889475
                3d
                   -2 :              -0.00006620236348
                   -1 :               0.00011911807874
                   +0 :               0.00013533283387
                   +1 :               0.00007269852065
                   +2 :              -0.00025025703772
              8 vec=    12.757392     -1.376312      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00020055073586
                2p
                   -1 :              -0.00015717668816
                   +0 :               0.00019280361909
                   +1 :               0.00016842968090
                3s
                   +0 :               0.00258625817848
                4s
                   +0 :              -0.00031078040384
                3p
                   -1 :              -0.00089186899776
                   +0 :               0.00077380625385
                   +1 :              -0.00009289260390
                4p
                   -1 :              -0.00014226834592
                   +0 :               0.00003495128380
                   +1 :               0.00014012440078
                3d
                   -2 :              -0.00025972975607
                   -1 :              -0.00065000716008
                   +0 :               0.00025883364535
                   +1 :               0.00025875055117
                   +2 :              -0.00055317794653
              9 vec=     4.977229     12.099325      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00018199681936
                2p
                   -1 :               0.00005563938285
                   +0 :               0.00002354083093
                   +1 :              -0.00002471776709
                3s
                   +0 :               0.00033306726978
                4s
                   +0 :               0.00006105927977
                3p
                   -1 :               0.00040844608282
                   +0 :               0.00049833737460
                   +1 :              -0.00004371087736
                4p
                   -1 :              -0.00001719047433
                   +0 :              -0.00001738084312
                   +1 :              -0.00002329936502
                3d
                   -2 :              -0.00001968444856
                   -1 :               0.00018825520536
                   +0 :               0.00003182314844
                   +1 :              -0.00001913388721
                   +2 :              -0.00015806338892
             10 vec=    12.757392      7.607446      1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00019842500840
                2p
                   -1 :              -0.00000701095596
                   +0 :               0.00002469022781
                   +1 :              -0.00005761524446
                3s
                   +0 :               0.00109907684409
                4s
                   +0 :              -0.00031693970990
                3p
                   -1 :               0.00027645190161
                   +0 :               0.00007178013454
                   +1 :               0.00038395473405
                4p
                   -1 :              -0.00006664634821
                   +0 :               0.00003774813759
                   +1 :              -0.00011951608677
                3d
                   -2 :               0.00001491587797
                   -1 :               0.00003711691093
                   +0 :               0.00004191961627
                   +1 :              -0.00001368429587
                   +2 :              -0.00000575395392
             11 vec=     4.977229    -14.851949      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00009565655236
                2p
                   -1 :               0.00005922254547
                   +0 :              -0.00003431143311
                   +1 :              -0.00005616844336
                3s
                   +0 :               0.00028937620820
                4s
                   +0 :              -0.00012535791263
                3p
                   -1 :              -0.00028832208934
                   +0 :               0.00021106275714
                   +1 :               0.00017189490067
                4p
                   -1 :               0.00006409571512
                   +0 :              -0.00005569233560
                   +1 :              -0.00002127339095
                3d
                   -2 :              -0.00000802125027
                   -1 :              -0.00009326017961
                   +0 :              -0.00005288453933
                   +1 :               0.00001001518427
                   +2 :              -0.00006773895737
             12 vec=   -10.583096     12.099325      1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00005982718479
                2p
                   -1 :               0.00001949477348
                   +0 :              -0.00000873049789
                   +1 :               0.00002055227201
                3s
                   +0 :              -0.00029634544506
                4s
                   +0 :               0.00003295102987
                3p
                   -1 :              -0.00012934190273
                   +0 :              -0.00003696240422
                   +1 :              -0.00022020092541
                4p
                   -1 :               0.00001465981742
                   +0 :              -0.00000150413186
                   +1 :               0.00007151746130
                3d
                   -2 :              -0.00003359606755
                   -1 :              -0.00004302495384
                   +0 :              -0.00000716892163
                   +1 :              -0.00004112145041
                   +2 :               0.00007283292237
             13 vec=    12.757392    -10.360070      1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00008412992603
                2p
                   -1 :              -0.00001077134588
                   +0 :              -0.00001063496479
                   +1 :              -0.00002900896370
                3s
                   +0 :               0.00048332938280
                4s
                   +0 :              -0.00007786338464
                3p
                   -1 :               0.00000849309903
                   +0 :               0.00017747542032
                   +1 :               0.00022135670393
                4p
                   -1 :               0.00000397964843
                   +0 :              -0.00000266518612
                   +1 :              -0.00001690621945
                3d
                   -2 :              -0.00000274702079
                   -1 :               0.00000139995632
                   +0 :               0.00001913663297
                   +1 :               0.00011120259297
                   +2 :               0.00002780093424
             14 vec=    -2.802933     16.591204      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00000889850649
                2p
                   -1 :               0.00000653739649
                   +0 :              -0.00000868620291
                   +1 :              -0.00002877322989
                3s
                   +0 :              -0.00002117734872
                4s
                   +0 :               0.00002029961547
                3p
                   -1 :              -0.00007544227032
                   +0 :               0.00004270236231
                   +1 :               0.00019244816086
                4p
                   -1 :               0.00003090306481
                   +0 :              -0.00001536213719
                   +1 :              -0.00002861422382
                3d
                   -2 :               0.00004651005721
                   -1 :               0.00001345595907
                   +0 :               0.00000264774863
                   +1 :               0.00004031115716
                   +2 :               0.00001659056665
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site Al( 12)  npairs=  14
              1 vec=    -2.802933     -1.376312     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00193814749486
                2p
                   -1 :              -0.00040503356689
                   +0 :              -0.00143519756185
                   +1 :              -0.00055031148031
                3s
                   +0 :              -0.00505922195414
                4s
                   +0 :               0.00285167697244
                3p
                   -1 :               0.00196782639658
                   +0 :               0.00949205916272
                   +1 :               0.00146430516403
                4p
                   -1 :              -0.00037892767008
                   +0 :              -0.00404115561551
                   +1 :              -0.00002595345545
                3d
                   -2 :              -0.00056504082545
                   -1 :               0.00005280304831
                   +0 :              -0.00294019134791
                   +1 :              -0.00155009513198
                   +2 :              -0.00144135616795
              2 vec=     4.977229      3.115567     -5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00004122116399
                2p
                   -1 :               0.00027693358291
                   +0 :               0.00077674930136
                   +1 :              -0.00007354177240
                3s
                   +0 :               0.00418702014498
                4s
                   +0 :               0.00060042338714
                3p
                   -1 :              -0.00128550685015
                   +0 :              -0.00247414158323
                   +1 :               0.00330234196974
                4p
                   -1 :               0.00092943217235
                   +0 :               0.00091209036843
                   +1 :               0.00005816594225
                3d
                   -2 :               0.00054614370603
                   -1 :               0.00051317197601
                   +0 :              -0.00136464456319
                   +1 :              -0.00028898007712
                   +2 :               0.00170803653044
              3 vec=     4.977229     -5.868191     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00004967250116
                2p
                   -1 :               0.00044796996400
                   +0 :              -0.00002821965576
                   +1 :              -0.00076020101562
                3s
                   +0 :               0.00135542379783
                4s
                   +0 :              -0.00077687160829
                3p
                   -1 :              -0.00200698115185
                   +0 :              -0.00014798919874
                   +1 :               0.00525310668553
                4p
                   -1 :               0.00055752572883
                   +0 :               0.00003940544110
                   +1 :              -0.00163543656492
                3d
                   -2 :              -0.00074884557187
                   -1 :               0.00022713454168
                   +0 :               0.00009210348820
                   +1 :              -0.00083639399512
                   +2 :              -0.00017026487325
              4 vec=    -2.802933      7.607446     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00113082324929
                2p
                   -1 :              -0.00049215811796
                   +0 :               0.00033513081007
                   +1 :               0.00044257121737
                3s
                   +0 :               0.00335503140550
                4s
                   +0 :              -0.00111843560941
                3p
                   -1 :               0.00232582460635
                   +0 :              -0.00106234682306
                   +1 :              -0.00219755914545
                4p
                   -1 :              -0.00079859390488
                   +0 :               0.00011167054896
                   +1 :               0.00058496769328
                3d
                   -2 :              -0.00049791437404
                   -1 :              -0.00030295298359
                   +0 :              -0.00020820138086
                   +1 :               0.00046301308228
                   +2 :               0.00028517133726
              5 vec=    -2.802933    -10.360070     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00010647113914
                2p
                   -1 :               0.00004368388928
                   +0 :              -0.00005174702658
                   +1 :              -0.00012919209018
                3s
                   +0 :               0.00009688960980
                4s
                   +0 :               0.00008951427504
                3p
                   -1 :               0.00007923055203
                   +0 :              -0.00006893104182
                   +1 :               0.00089439214349
                4p
                   -1 :              -0.00012713025937
                   +0 :               0.00004434411937
                   +1 :              -0.00031038188311
                3d
                   -2 :              -0.00019731663650
                   -1 :               0.00009984471086
                   +0 :               0.00003098124077
                   +1 :              -0.00012607386599
                   +2 :              -0.00000357207130
              6 vec=   -10.583096      3.115567     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00011798283400
                2p
                   -1 :               0.00009050617164
                   +0 :               0.00002460160498
                   +1 :               0.00014649399665
                3s
                   +0 :              -0.00019077956268
                4s
                   +0 :              -0.00019965461473
                3p
                   -1 :              -0.00094688910357
                   +0 :              -0.00003008491853
                   +1 :              -0.00022099911283
                4p
                   -1 :               0.00014869073652
                   +0 :               0.00001725399949
                   +1 :               0.00020020973806
                3d
                   -2 :               0.00020934369266
                   -1 :               0.00009011332243
                   +0 :               0.00009467800910
                   +1 :               0.00012117001275
                   +2 :               0.00004110457367
              7 vec=   -10.583096     -5.868191     -5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00019090208036
                2p
                   -1 :              -0.00001458714103
                   +0 :               0.00001341301801
                   +1 :               0.00002785646140
                3s
                   +0 :               0.00063134349663
                4s
                   +0 :              -0.00019044074755
                3p
                   -1 :               0.00004046655919
                   +0 :              -0.00006679147704
                   +1 :              -0.00028978198691
                4p
                   -1 :               0.00002529191133
                   +0 :              -0.00005145982507
                   +1 :               0.00010126519643
                3d
                   -2 :              -0.00010051073303
                   -1 :               0.00006912797583
                   +0 :              -0.00009178069799
                   +1 :              -0.00003700740521
                   +2 :              -0.00000613696463
              8 vec=    12.757392     -1.376312     -5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00024866216853
                2p
                   -1 :               0.00001640203017
                   +0 :              -0.00006451463147
                   +1 :               0.00014564469297
                3s
                   +0 :              -0.00033908310159
                4s
                   +0 :               0.00001581876293
                3p
                   -1 :               0.00012047645322
                   +0 :               0.00023486487765
                   +1 :              -0.00029908226752
                4p
                   -1 :              -0.00002827933351
                   +0 :              -0.00005528040390
                   +1 :               0.00000544761651
                3d
                   -2 :               0.00003575688812
                   -1 :              -0.00002350669254
                   +0 :               0.00002349307052
                   +1 :               0.00018120860504
                   +2 :              -0.00004979604951
              9 vec=     4.977229     12.099325     -5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00006565260996
                2p
                   -1 :               0.00001548864012
                   +0 :              -0.00001704954205
                   +1 :               0.00004787692467
                3s
                   +0 :               0.00033787016017
                4s
                   +0 :              -0.00017195148049
                3p
                   -1 :               0.00004031953268
                   +0 :               0.00007364333756
                   +1 :              -0.00032094642811
                4p
                   -1 :              -0.00007142052213
                   +0 :               0.00002970582474
                   +1 :               0.00007266418170
                3d
                   -2 :              -0.00015742155970
                   -1 :               0.00010901316608
                   +0 :              -0.00000283776924
                   +1 :               0.00000743188959
                   +2 :               0.00003198665607
             10 vec=    12.757392      7.607446     -5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00011533493499
                2p
                   -1 :               0.00002843099753
                   +0 :               0.00002364860149
                   +1 :               0.00009315895512
                3s
                   +0 :              -0.00033204641435
                4s
                   +0 :               0.00013494531655
                3p
                   -1 :              -0.00011982131744
                   +0 :              -0.00021760465660
                   +1 :              -0.00044085482361
                4p
                   -1 :               0.00002174523462
                   +0 :               0.00008981552619
                   +1 :               0.00011529157909
                3d
                   -2 :              -0.00005041362061
                   -1 :              -0.00001506276603
                   +0 :               0.00005229898832
                   +1 :               0.00002881615863
                   +2 :              -0.00006901580454
             11 vec=     4.977229    -14.851949     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00003358148491
                2p
                   -1 :              -0.00006176151858
                   +0 :              -0.00005480763603
                   +1 :               0.00000201539383
                3s
                   +0 :              -0.00006847002633
                4s
                   +0 :              -0.00000120819252
                3p
                   -1 :               0.00026742068269
                   +0 :               0.00026779874737
                   +1 :               0.00001008241986
                4p
                   -1 :              -0.00005045035815
                   +0 :              -0.00004195284469
                   +1 :              -0.00001288064190
                3d
                   -2 :               0.00001817408036
                   -1 :              -0.00010349400310
                   +0 :              -0.00000087107359
                   +1 :               0.00002603559968
                   +2 :               0.00008125632296
             12 vec=   -10.583096     12.099325     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00004703834693
                2p
                   -1 :               0.00001138547817
                   +0 :               0.00001199214488
                   +1 :               0.00005135478378
                3s
                   +0 :               0.00006061401460
                4s
                   +0 :              -0.00005660558461
                3p
                   -1 :              -0.00007135977306
                   +0 :              -0.00001548937656
                   +1 :              -0.00022748923849
                4p
                   -1 :               0.00001732929713
                   +0 :               0.00000516787598
                   +1 :               0.00007330304090
                3d
                   -2 :              -0.00001080844471
                   -1 :               0.00000318315219
                   +0 :              -0.00001506602255
                   +1 :               0.00002740570608
                   +2 :               0.00001276640352
             13 vec=    12.757392    -10.360070     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00000509149686
                2p
                   -1 :               0.00001226273458
                   +0 :              -0.00000100200099
                   +1 :              -0.00001939651818
                3s
                   +0 :               0.00010296564240
                4s
                   +0 :              -0.00006713564003
                3p
                   -1 :              -0.00008923594894
                   +0 :              -0.00003769787643
                   +1 :               0.00011869808314
                4p
                   -1 :               0.00002678104836
                   +0 :               0.00002388799340
                   +1 :              -0.00005456587455
                3d
                   -2 :              -0.00000615584309
                   -1 :               0.00001325630524
                   +0 :               0.00003097117099
                   +1 :              -0.00000369269856
                   +2 :               0.00000952941680
             14 vec=    -2.802933     16.591204     -5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00001276958183
                2p
                   -1 :              -0.00000134034253
                   +0 :               0.00000082260516
                   +1 :              -0.00000968423390
                3s
                   +0 :              -0.00000384904288
                4s
                   +0 :              -0.00001261405507
                3p
                   -1 :               0.00004485020910
                   +0 :              -0.00001434886089
                   +1 :               0.00001877523421
                4p
                   -1 :              -0.00002283759136
                   +0 :               0.00000910352258
                   +1 :              -0.00000426262454
                3d
                   -2 :              -0.00003547553211
                   -1 :               0.00000258131717
                   +0 :              -0.00000507315051
                   +1 :               0.00000771024550
                   +2 :              -0.00000467216431
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 13)  npairs=  18
              1 vec=    -3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00005382234719
                2s
                   +0 :               0.00029988187440
                3s
                   +0 :              -0.00024402307005
                2p
                   -1 :               0.00011420035377
                   +0 :              -0.00049218157631
                   +1 :              -0.00019504516564
                3p
                   -1 :              -0.00002489872369
                   +0 :               0.00043466693440
                   +1 :               0.00010433152839
                3d
                   -2 :               0.00000291525662
                   -1 :               0.00001207236719
                   +0 :              -0.00000733424058
                   +1 :               0.00000275114133
                   +2 :               0.00000197045862
              2 vec=    -3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00004775607695
                2s
                   +0 :              -0.00044000606809
                3s
                   +0 :               0.00012826289015
                2p
                   -1 :               0.00047608204548
                   +0 :              -0.00018646489960
                   +1 :              -0.00005705928232
                3p
                   -1 :              -0.00037852776366
                   +0 :               0.00006354157429
                   +1 :               0.00004106785825
                3d
                   -2 :               0.00000428038573
                   -1 :              -0.00000344678946
                   +0 :               0.00002007682779
                   +1 :               0.00000058710104
                   +2 :              -0.00000539138942
              3 vec=     4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00008719471477
                2s
                   +0 :               0.00055512370282
                3s
                   +0 :              -0.00021220893704
                2p
                   -1 :               0.00009040884435
                   +0 :              -0.00049423309296
                   +1 :               0.00003316428339
                3p
                   -1 :              -0.00028243995157
                   +0 :               0.00027434300837
                   +1 :              -0.00007020525071
                3d
                   -2 :               0.00001571002800
                   -1 :               0.00005158598915
                   +0 :              -0.00001691962696
                   +1 :               0.00002247186553
                   +2 :              -0.00001644111421
              4 vec=     4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00008639715365
                2s
                   +0 :               0.00081086955827
                3s
                   +0 :              -0.00022184275741
                2p
                   -1 :              -0.00034034664131
                   +0 :               0.00063898944316
                   +1 :              -0.00008985735224
                3p
                   -1 :               0.00003786623607
                   +0 :              -0.00022174137671
                   +1 :               0.00006603210649
                3d
                   -2 :              -0.00000463855399
                   -1 :              -0.00000256463748
                   +0 :              -0.00000611499377
                   +1 :              -0.00001609773994
                   +2 :              -0.00002970362772
              5 vec=    -3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001044983926
                2s
                   +0 :              -0.00003122027335
                3s
                   +0 :               0.00004689533046
                2p
                   -1 :               0.00009857426239
                   +0 :              -0.00005100415883
                   +1 :              -0.00037560322468
                3p
                   -1 :              -0.00007910757091
                   +0 :              -0.00008315678385
                   +1 :               0.00026639061567
                3d
                   -2 :              -0.00000664596022
                   -1 :               0.00000980678372
                   +0 :               0.00002162828001
                   +1 :              -0.00001763214765
                   +2 :               0.00000108801523
              6 vec=    -3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005516777655
                2s
                   +0 :               0.00031181515901
                3s
                   +0 :              -0.00016648538229
                2p
                   -1 :              -0.00010201406824
                   +0 :               0.00034513425023
                   +1 :              -0.00007352820392
                3p
                   -1 :               0.00012007819958
                   +0 :              -0.00020873870672
                   +1 :               0.00005830667289
                3d
                   -2 :              -0.00000106148761
                   -1 :              -0.00000092851407
                   +0 :              -0.00000527867855
                   +1 :              -0.00000590210313
                   +2 :               0.00000617133840
              7 vec=     4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004766392804
                2s
                   +0 :               0.00070365719186
                3s
                   +0 :              -0.00006977901777
                2p
                   -1 :               0.00016213481272
                   +0 :              -0.00073504621915
                   +1 :               0.00017279317955
                3p
                   -1 :              -0.00000455994792
                   +0 :               0.00009182578850
                   +1 :              -0.00001143175380
                3d
                   -2 :               0.00001986333914
                   -1 :              -0.00000676824850
                   +0 :               0.00001388388969
                   +1 :              -0.00001467170040
                   +2 :               0.00000560692638
              8 vec=     4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005143150329
                2s
                   +0 :               0.00050039264104
                3s
                   +0 :              -0.00009547084498
                2p
                   -1 :               0.00000636433425
                   +0 :               0.00036942153619
                   +1 :               0.00009292447594
                3p
                   -1 :              -0.00002002751187
                   +0 :              -0.00006515083250
                   +1 :               0.00003267782467
                3d
                   -2 :              -0.00000552111009
                   -1 :              -0.00000625675464
                   +0 :               0.00000797808022
                   +1 :               0.00002451787648
                   +2 :               0.00001684748537
              9 vec=   -10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000753836814
                2s
                   +0 :               0.00002201818846
                3s
                   +0 :              -0.00002674879628
                2p
                   -1 :               0.00010019863234
                   +0 :               0.00003247195621
                   +1 :              -0.00006270724411
                3p
                   -1 :              -0.00006171984451
                   +0 :               0.00003450969957
                   +1 :               0.00006740659940
                3d
                   -2 :               0.00000630361368
                   -1 :               0.00000614103396
                   +0 :               0.00000115546924
                   +1 :              -0.00000186813082
                   +2 :              -0.00000458392708
             10 vec=   -10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001881275503
                2s
                   +0 :               0.00003356623908
                3s
                   +0 :              -0.00009789467990
                2p
                   -1 :              -0.00008211924740
                   +0 :               0.00014119845154
                   +1 :              -0.00016868778756
                3p
                   -1 :               0.00010739127808
                   +0 :              -0.00024610628613
                   +1 :               0.00018926551587
                3d
                   -2 :               0.00000115995942
                   -1 :               0.00000762262357
                   +0 :              -0.00001524835859
                   +1 :               0.00001039347672
                   +2 :               0.00000408320110
             11 vec=    -3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001303516290
                2s
                   +0 :              -0.00008912761457
                3s
                   +0 :               0.00003918725126
                2p
                   -1 :              -0.00006451501649
                   +0 :              -0.00002053264277
                   +1 :               0.00011728083630
                3p
                   -1 :               0.00004293273209
                   +0 :               0.00006709726097
                   +1 :              -0.00012093335634
                3d
                   -2 :              -0.00001201524026
                   -1 :              -0.00000209458923
                   +0 :              -0.00000533594031
                   +1 :               0.00000412772963
                   +2 :              -0.00000899445637
             12 vec=    -3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000640677590
                2s
                   +0 :              -0.00004945077557
                3s
                   +0 :               0.00000748532586
                2p
                   -1 :               0.00000718535912
                   +0 :              -0.00009210922906
                   +1 :              -0.00000784018245
                3p
                   -1 :              -0.00000116573536
                   +0 :               0.00003818694593
                   +1 :              -0.00002545362021
                3d
                   -2 :              -0.00000005728391
                   -1 :              -0.00000269390447
                   +0 :               0.00000011204024
                   +1 :              -0.00000798415492
                   +2 :              -0.00000069532533
             13 vec=   -10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001263784422
                2s
                   +0 :              -0.00012471295796
                3s
                   +0 :               0.00002536452787
                2p
                   -1 :              -0.00013570804134
                   +0 :               0.00009214406747
                   +1 :               0.00008059619911
                3p
                   -1 :               0.00006892378152
                   +0 :               0.00000903242299
                   +1 :               0.00001443003333
                3d
                   -2 :              -0.00000010999618
                   -1 :              -0.00000230087166
                   +0 :              -0.00000317173382
                   +1 :               0.00000120519121
                   +2 :              -0.00000502914397
             14 vec=   -10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002181035433
                2s
                   +0 :              -0.00018771730596
                3s
                   +0 :               0.00004364176879
                2p
                   -1 :               0.00000087752819
                   +0 :              -0.00007474485091
                   +1 :               0.00007974950867
                3p
                   -1 :              -0.00003180576803
                   +0 :               0.00000629806776
                   +1 :              -0.00001673331887
                3d
                   -2 :               0.00000350369213
                   -1 :              -0.00000025655460
                   +0 :              -0.00000025018098
                   +1 :              -0.00000006519687
                   +2 :               0.00000261542320
             15 vec=     4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001482569760
                2s
                   +0 :               0.00010825039108
                3s
                   +0 :              -0.00005874299687
                2p
                   -1 :              -0.00010340662683
                   +0 :              -0.00005886993917
                   +1 :              -0.00002003176207
                3p
                   -1 :               0.00008406771958
                   +0 :               0.00002920252331
                   +1 :               0.00000766202695
                3d
                   -2 :               0.00000381425262
                   -1 :              -0.00001119624017
                   +0 :              -0.00000306201514
                   +1 :               0.00000036956308
                   +2 :               0.00001399878209
             16 vec=     4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002635956194
                2s
                   +0 :               0.00019143538574
                3s
                   +0 :              -0.00005022457711
                2p
                   -1 :              -0.00004535183703
                   +0 :               0.00008817595345
                   +1 :              -0.00006298185328
                3p
                   -1 :               0.00002446805451
                   +0 :               0.00001113058483
                   +1 :               0.00006466424256
                3d
                   -2 :              -0.00000212811498
                   -1 :              -0.00000465637686
                   +0 :               0.00000474598678
                   +1 :               0.00001721201371
                   +2 :               0.00000447009510
             17 vec=    12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001635501228
                2s
                   +0 :               0.00013164361248
                3s
                   +0 :              -0.00004291053433
                2p
                   -1 :               0.00004209913276
                   +0 :              -0.00007129650451
                   +1 :               0.00007038018201
                3p
                   -1 :              -0.00001361027986
                   +0 :               0.00001857414115
                   +1 :              -0.00003758776574
                3d
                   -2 :               0.00000422981619
                   -1 :              -0.00000335953005
                   +0 :               0.00000085197355
                   +1 :               0.00000317839596
                   +2 :               0.00000070781307
             18 vec=    12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000091248619
                2s
                   +0 :               0.00002723961018
                3s
                   +0 :               0.00000632934975
                2p
                   -1 :              -0.00001072766362
                   +0 :              -0.00000546034052
                   +1 :              -0.00000225755207
                3p
                   -1 :              -0.00001323659032
                   +0 :               0.00000377149148
                   +1 :              -0.00000071778164
                3d
                   -2 :              -0.00000247636894
                   -1 :              -0.00000345457773
                   +0 :               0.00000293588041
                   +1 :               0.00000227252650
                   +2 :              -0.00000035690750
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 14)  npairs=  14
              1 vec=     0.000000     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006515568548
                2s
                   +0 :               0.00042993116519
                3s
                   +0 :              -0.00030470787269
                2p
                   -1 :              -0.00010815452138
                   +0 :              -0.00042817531318
                   +1 :               0.00004731289150
                3p
                   -1 :               0.00008601532138
                   +0 :               0.00049374994018
                   +1 :               0.00002277129942
                3d
                   -2 :               0.00001087411340
                   -1 :              -0.00001322141990
                   +0 :              -0.00004740588541
                   +1 :               0.00000061058973
                   +2 :               0.00001048015854
              2 vec=     0.000000     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008139878262
                2s
                   +0 :              -0.00071758910426
                3s
                   +0 :               0.00027982385286
                2p
                   -1 :              -0.00016611314100
                   +0 :              -0.00059547043830
                   +1 :               0.00042853795364
                3p
                   -1 :               0.00023464819604
                   +0 :               0.00034694580608
                   +1 :              -0.00026693015861
                3d
                   -2 :              -0.00001051731572
                   -1 :               0.00001671252201
                   +0 :               0.00002682353844
                   +1 :              -0.00001931465455
                   +2 :              -0.00000145736753
              3 vec=     0.000000      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000840094861
                2s
                   +0 :               0.00017114108743
                3s
                   +0 :              -0.00002468574243
                2p
                   -1 :               0.00020824763841
                   +0 :              -0.00010219476962
                   +1 :              -0.00086018780331
                3p
                   -1 :              -0.00014948403354
                   +0 :               0.00002874809031
                   +1 :               0.00022801656646
                3d
                   -2 :              -0.00000780197927
                   -1 :              -0.00001195884114
                   +0 :              -0.00001095141929
                   +1 :               0.00001429225156
                   +2 :               0.00000199468005
              4 vec=     0.000000      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00005874171350
                2s
                   +0 :              -0.00021287755660
                3s
                   +0 :               0.00021650572681
                2p
                   -1 :              -0.00034593800419
                   +0 :               0.00007221860431
                   +1 :              -0.00057415244949
                3p
                   -1 :               0.00027146787316
                   +0 :               0.00005816129175
                   +1 :               0.00008833829467
                3d
                   -2 :               0.00001149772887
                   -1 :               0.00001721925500
                   +0 :               0.00000247962826
                   +1 :              -0.00003740542622
                   +2 :              -0.00000543254443
              5 vec=    -7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001896725401
                2s
                   +0 :              -0.00016704144186
                3s
                   +0 :               0.00002199078505
                2p
                   -1 :               0.00009868280983
                   +0 :               0.00014231827503
                   +1 :               0.00001897737068
                3p
                   -1 :              -0.00015076643602
                   +0 :              -0.00002538189625
                   +1 :               0.00000379113241
                3d
                   -2 :               0.00000822689407
                   -1 :               0.00002022561160
                   +0 :               0.00002202331445
                   +1 :              -0.00000118666231
                   +2 :               0.00000150997842
              6 vec=    -7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00003667631737
                2s
                   +0 :              -0.00046037647899
                3s
                   +0 :               0.00003332031546
                2p
                   -1 :              -0.00021799045488
                   +0 :              -0.00040236608169
                   +1 :               0.00029999041397
                3p
                   -1 :               0.00007686777305
                   +0 :               0.00013664082975
                   +1 :              -0.00019041110665
                3d
                   -2 :              -0.00001000765031
                   -1 :              -0.00000046339387
                   +0 :              -0.00000941615737
                   +1 :               0.00001190203733
                   +2 :               0.00001266597345
              7 vec=     7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00003110562815
                2s
                   +0 :               0.00027643741596
                3s
                   +0 :              -0.00003327218930
                2p
                   -1 :              -0.00000678805606
                   +0 :              -0.00020155725896
                   +1 :               0.00007864727812
                3p
                   -1 :               0.00006298080722
                   +0 :               0.00000414999021
                   +1 :               0.00000939901204
                3d
                   -2 :               0.00000509826787
                   -1 :              -0.00000666056346
                   +0 :               0.00000968013560
                   +1 :              -0.00001248984859
                   +2 :              -0.00000625767603
              8 vec=     7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00000520304242
                2s
                   +0 :               0.00017647718902
                3s
                   +0 :              -0.00002254131926
                2p
                   -1 :               0.00003019614927
                   +0 :               0.00012360272396
                   +1 :              -0.00001466922148
                3p
                   -1 :               0.00007433941028
                   +0 :              -0.00003049213507
                   +1 :               0.00000314796673
                3d
                   -2 :               0.00000586414173
                   -1 :               0.00000471307995
                   +0 :              -0.00001326967636
                   +1 :               0.00000121611624
                   +2 :              -0.00000481828520
              9 vec=    -7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000947000933
                2s
                   +0 :               0.00004501871766
                3s
                   +0 :              -0.00003832057301
                2p
                   -1 :              -0.00016350097706
                   +0 :              -0.00015847487141
                   +1 :               0.00016890303056
                3p
                   -1 :               0.00016433942410
                   +0 :               0.00016237146675
                   +1 :              -0.00014990702207
                3d
                   -2 :              -0.00001002551143
                   -1 :              -0.00001743654834
                   +0 :              -0.00001147148919
                   +1 :               0.00001686800750
                   +2 :               0.00001366746665
             10 vec=    -7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000278195442
                2s
                   +0 :              -0.00002276052302
                3s
                   +0 :              -0.00002871130415
                2p
                   -1 :              -0.00002860832909
                   +0 :               0.00001190213772
                   +1 :              -0.00002420985986
                3p
                   -1 :               0.00005744160672
                   +0 :              -0.00008842581712
                   +1 :               0.00001048703093
                3d
                   -2 :              -0.00000017791084
                   -1 :              -0.00000221748607
                   +0 :               0.00000040504344
                   +1 :               0.00000230772541
                   +2 :              -0.00000851669710
             11 vec=     7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002250727032
                2s
                   +0 :              -0.00015217728526
                3s
                   +0 :               0.00009123125593
                2p
                   -1 :              -0.00003014854782
                   +0 :               0.00014311774226
                   +1 :              -0.00003087308683
                3p
                   -1 :               0.00004677081258
                   +0 :              -0.00015542742938
                   +1 :               0.00006099335501
                3d
                   -2 :               0.00000220960813
                   -1 :               0.00000329710404
                   +0 :               0.00001787796037
                   +1 :               0.00000221135209
                   +2 :               0.00001326295525
             12 vec=     7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000554298480
                2s
                   +0 :               0.00003931605525
                3s
                   +0 :               0.00000537760788
                2p
                   -1 :              -0.00000107047154
                   +0 :              -0.00002793844857
                   +1 :              -0.00009606680131
                3p
                   -1 :              -0.00001106864043
                   +0 :               0.00004012459641
                   +1 :               0.00006331846361
                3d
                   -2 :              -0.00000593172916
                   -1 :               0.00001071948234
                   +0 :               0.00000139772674
                   +1 :               0.00000252616658
                   +2 :              -0.00000729912339
             13 vec=     0.000000    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002300076804
                2s
                   +0 :              -0.00015470876594
                3s
                   +0 :               0.00008305787793
                2p
                   -1 :               0.00005824278514
                   +0 :               0.00015932942668
                   +1 :               0.00000185238899
                3p
                   -1 :              -0.00004494546280
                   +0 :              -0.00010689002395
                   +1 :               0.00000841065135
                3d
                   -2 :              -0.00000296444759
                   -1 :               0.00000075980058
                   +0 :               0.00000908858229
                   +1 :               0.00000621394373
                   +2 :               0.00000472492672
             14 vec=     0.000000    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000745275119
                2s
                   +0 :               0.00002240398711
                3s
                   +0 :              -0.00004694733994
                2p
                   -1 :               0.00003819214970
                   +0 :               0.00000503310620
                   +1 :              -0.00000632587265
                3p
                   -1 :               0.00000083141545
                   +0 :              -0.00003252059682
                   +1 :               0.00004642866383
                3d
                   -2 :              -0.00001610480808
                   -1 :               0.00000935320557
                   +0 :              -0.00000527017621
                   +1 :               0.00001757291259
                   +2 :              -0.00000447117378
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 15)  npairs=  14
              1 vec=     2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003562089144
                2s
                   +0 :              -0.00008394835902
                3s
                   +0 :               0.00011683966642
                2p
                   -1 :              -0.00022702890482
                   +0 :               0.00021858552853
                   +1 :               0.00007468884529
                3p
                   -1 :               0.00003284641076
                   +0 :              -0.00021637492085
                   +1 :              -0.00015374609923
                3d
                   -2 :               0.00000262839552
                   -1 :               0.00000345537835
                   +0 :               0.00002108365993
                   +1 :               0.00002362873023
                   +2 :               0.00000165715491
              2 vec=     2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000809888409
                2s
                   +0 :              -0.00008924759811
                3s
                   +0 :              -0.00008940572068
                2p
                   -1 :              -0.00029664300730
                   +0 :               0.00018138533793
                   +1 :               0.00021992421699
                3p
                   -1 :               0.00011106573746
                   +0 :              -0.00038461342161
                   +1 :              -0.00024696912182
                3d
                   -2 :              -0.00003111079907
                   -1 :              -0.00001418003410
                   +0 :              -0.00005973755904
                   +1 :              -0.00002040524043
                   +2 :              -0.00001266632392
              3 vec=    -5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002229210411
                2s
                   +0 :              -0.00020984358655
                3s
                   +0 :              -0.00003840101915
                2p
                   -1 :               0.00022031853669
                   +0 :              -0.00003001209504
                   +1 :               0.00010542992799
                3p
                   -1 :               0.00001980177947
                   +0 :               0.00026106149650
                   +1 :              -0.00014386088529
                3d
                   -2 :              -0.00000096891069
                   -1 :              -0.00000817362729
                   +0 :              -0.00004561669572
                   +1 :              -0.00000435836448
                   +2 :               0.00000016587713
              4 vec=    -5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00001972097469
                2s
                   +0 :              -0.00028860332980
                3s
                   +0 :              -0.00000724089796
                2p
                   -1 :               0.00048796875306
                   +0 :              -0.00020069279680
                   +1 :              -0.00016112365627
                3p
                   -1 :              -0.00024277287433
                   +0 :               0.00008407267052
                   +1 :               0.00003351689770
                3d
                   -2 :               0.00000101142157
                   -1 :              -0.00000470837226
                   +0 :              -0.00001450388426
                   +1 :              -0.00001539906449
                   +2 :              -0.00000459914815
              5 vec=    -5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00000328721604
                2s
                   +0 :              -0.00021644658982
                3s
                   +0 :              -0.00004012822346
                2p
                   -1 :              -0.00000157613738
                   +0 :               0.00013122777722
                   +1 :               0.00010666299660
                3p
                   -1 :               0.00002855889373
                   +0 :               0.00014774272672
                   +1 :               0.00003334720821
                3d
                   -2 :               0.00000790921105
                   -1 :               0.00000330223447
                   +0 :              -0.00000830900761
                   +1 :              -0.00002711840076
                   +2 :               0.00000241809344
              6 vec=    -5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001327606859
                2s
                   +0 :              -0.00020626353872
                3s
                   +0 :               0.00003414786137
                2p
                   -1 :              -0.00018367427311
                   +0 :              -0.00014633934874
                   +1 :              -0.00002562439876
                3p
                   -1 :               0.00018681964104
                   +0 :              -0.00002721199115
                   +1 :               0.00009259756968
                3d
                   -2 :               0.00001080552356
                   -1 :               0.00003651360906
                   +0 :              -0.00000694551845
                   +1 :               0.00002899797456
                   +2 :              -0.00004422908713
              7 vec=     2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000550333406
                2s
                   +0 :              -0.00006050703290
                3s
                   +0 :              -0.00002280776994
                2p
                   -1 :               0.00011957301891
                   +0 :               0.00004194737809
                   +1 :               0.00016598001569
                3p
                   -1 :              -0.00007259073339
                   +0 :               0.00002236832599
                   +1 :              -0.00015637671008
                3d
                   -2 :               0.00000525123062
                   -1 :               0.00000162425438
                   +0 :              -0.00000969824924
                   +1 :              -0.00000573804126
                   +2 :               0.00000598410305
              8 vec=     2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00005310192384
                2s
                   +0 :              -0.00045645055858
                3s
                   +0 :               0.00014559052322
                2p
                   -1 :               0.00038516662313
                   +0 :              -0.00042201696305
                   +1 :              -0.00017506278987
                3p
                   -1 :              -0.00026480473323
                   +0 :               0.00019991508159
                   +1 :               0.00012703617332
                3d
                   -2 :              -0.00000665490129
                   -1 :              -0.00000651745310
                   +0 :               0.00000144373747
                   +1 :               0.00002352609879
                   +2 :              -0.00001172650786
              9 vec=     2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001120999893
                2s
                   +0 :               0.00009256059870
                3s
                   +0 :              -0.00004880313437
                2p
                   -1 :              -0.00008380568372
                   +0 :              -0.00009719107022
                   +1 :              -0.00000667062554
                3p
                   -1 :               0.00008242572417
                   +0 :               0.00007375913392
                   +1 :              -0.00000461427944
                3d
                   -2 :              -0.00000530579677
                   -1 :              -0.00000069021343
                   +0 :              -0.00000205778996
                   +1 :               0.00000402161464
                   +2 :              -0.00000461355740
             10 vec=     2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000053323899
                2s
                   +0 :              -0.00006138544899
                3s
                   +0 :              -0.00008679459340
                2p
                   -1 :               0.00000354079878
                   +0 :              -0.00014794539841
                   +1 :               0.00000750743073
                3p
                   -1 :              -0.00004425871969
                   +0 :              -0.00002614291713
                   +1 :               0.00004404450976
                3d
                   -2 :               0.00001023010634
                   -1 :              -0.00004550025711
                   +0 :              -0.00003332496182
                   +1 :               0.00001064448112
                   +2 :               0.00001688584136
             11 vec=    10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000276139638
                2s
                   +0 :               0.00000808687892
                3s
                   +0 :               0.00000945578264
                2p
                   -1 :               0.00003032649122
                   +0 :              -0.00001773644921
                   +1 :              -0.00004694327422
                3p
                   -1 :              -0.00008293719662
                   +0 :              -0.00004768600263
                   +1 :               0.00004460251040
                3d
                   -2 :               0.00001023569191
                   -1 :               0.00000123225780
                   +0 :               0.00000907697570
                   +1 :              -0.00000610868172
                   +2 :               0.00000872247183
             12 vec=    10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000273789823
                2s
                   +0 :               0.00006420609502
                3s
                   +0 :               0.00002927964980
                2p
                   -1 :              -0.00001702913596
                   +0 :               0.00002955645688
                   +1 :               0.00006993081960
                3p
                   -1 :              -0.00000504535615
                   +0 :               0.00003622257096
                   +1 :              -0.00000785000622
                3d
                   -2 :              -0.00000371685874
                   -1 :               0.00000038342986
                   +0 :               0.00000316896563
                   +1 :               0.00000128221031
                   +2 :              -0.00000103099809
             13 vec=    10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001749591777
                2s
                   +0 :               0.00015147599879
                3s
                   +0 :              -0.00001910056752
                2p
                   -1 :               0.00004269545949
                   +0 :              -0.00006045136683
                   +1 :               0.00004685242127
                3p
                   -1 :              -0.00002168923733
                   +0 :              -0.00001718574568
                   +1 :               0.00004278509087
                3d
                   -2 :               0.00000182601660
                   -1 :               0.00000261956472
                   +0 :               0.00000226544906
                   +1 :              -0.00000750315394
                   +2 :               0.00000926790387
             14 vec=    10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000364573879
                2s
                   +0 :               0.00009813866481
                3s
                   +0 :              -0.00000214128492
                2p
                   -1 :               0.00008582046177
                   +0 :               0.00001334774646
                   +1 :               0.00003108866661
                3p
                   -1 :              -0.00006817890295
                   +0 :               0.00002581883573
                   +1 :               0.00005457230758
                3d
                   -2 :               0.00000417826767
                   -1 :              -0.00001261931349
                   +0 :              -0.00000072053872
                   +1 :               0.00000359869582
                   +2 :               0.00001004401771
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 16)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00144891519281
                2s
                   +0 :               0.00234440590975
                3s
                   +0 :               0.00620660819897
                2p
                   -1 :               0.00857512346602
                   +0 :               0.01502272989341
                   +1 :               0.86828848688595
                3p
                   -1 :              -0.00389018687969
                   +0 :              -0.00553476558869
                   +1 :              -0.03854261938187
                3d
                   -2 :              -0.00376043964278
                   -1 :               0.00083224561352
                   +0 :               0.00130985595189
                   +1 :               0.00228071730871
                   +2 :               0.00072122546263
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00008817672713
                2s
                   +0 :               0.00103397731562
                3s
                   +0 :              -0.00072046623809
                2p
                   -1 :              -0.00100305423001
                   +0 :              -0.00019556278422
                   +1 :              -0.00047239076426
                3p
                   -1 :               0.00101726494041
                   +0 :               0.00015029631758
                   +1 :               0.00114624580558
                3d
                   -2 :              -0.00011067203742
                   -1 :               0.00010365539482
                   +0 :              -0.00014293726765
                   +1 :              -0.00011181720371
                   +2 :              -0.00020763919956
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00047909751748
                2s
                   +0 :              -0.00171561207433
                3s
                   +0 :               0.00023962373552
                2p
                   -1 :              -0.00164453574259
                   +0 :              -0.00002543568864
                   +1 :               0.00070536615077
                3p
                   -1 :              -0.00061276478757
                   +0 :               0.00004710650173
                   +1 :              -0.00001775245445
                3d
                   -2 :              -0.00001061738258
                   -1 :              -0.00021976404962
                   +0 :               0.00010541029136
                   +1 :              -0.00001027661989
                   +2 :               0.00029561815719
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027660808738
                2s
                   +0 :              -0.00132822681892
                3s
                   +0 :               0.00116236771433
                2p
                   -1 :              -0.00000397203354
                   +0 :              -0.00047561014662
                   +1 :              -0.00268365706662
                3p
                   -1 :              -0.00126415722270
                   +0 :               0.00034135270061
                   +1 :               0.00036423739352
                3d
                   -2 :               0.00023323189894
                   -1 :               0.00000432417302
                   +0 :              -0.00006808015593
                   +1 :               0.00006037115389
                   +2 :              -0.00011973792953
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00028794108191
                2s
                   +0 :               0.00205426545175
                3s
                   +0 :              -0.00108572076458
                2p
                   -1 :               0.00225725968327
                   +0 :               0.00017507337651
                   +1 :              -0.00306373376842
                3p
                   -1 :              -0.00168309909026
                   +0 :              -0.00009088392461
                   +1 :               0.00105139268091
                3d
                   -2 :               0.00001964234986
                   -1 :              -0.00006271861289
                   +0 :               0.00000355799986
                   +1 :               0.00002185803811
                   +2 :               0.00004876997108
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00012029474762
                2s
                   +0 :               0.00103162058350
                3s
                   +0 :               0.00011312785681
                2p
                   -1 :              -0.00372673967812
                   +0 :              -0.00023963976291
                   +1 :               0.00198672075974
                3p
                   -1 :               0.00107702168075
                   +0 :               0.00023340642277
                   +1 :              -0.00096273344927
                3d
                   -2 :               0.00008403296838
                   -1 :               0.00000336067485
                   +0 :               0.00004798936093
                   +1 :               0.00003937046023
                   +2 :              -0.00013176611104
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00008633762319
                2s
                   +0 :               0.00056758983417
                3s
                   +0 :               0.00021066689880
                2p
                   -1 :               0.00119230015821
                   +0 :               0.00148637364601
                   +1 :               0.00052441593906
                3p
                   -1 :               0.00116462908050
                   +0 :              -0.00133826223312
                   +1 :               0.00013535536883
                3d
                   -2 :               0.00010970886733
                   -1 :               0.00002770772952
                   +0 :              -0.00015014219983
                   +1 :              -0.00001485273191
                   +2 :              -0.00030882606525
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001096917595
                2s
                   +0 :              -0.00070721881347
                3s
                   +0 :              -0.00005533444252
                2p
                   -1 :              -0.00021945886754
                   +0 :              -0.00031888936679
                   +1 :               0.00124483168064
                3p
                   -1 :               0.00014297330349
                   +0 :               0.00031471704576
                   +1 :              -0.00030519658024
                3d
                   -2 :              -0.00003079914349
                   -1 :              -0.00002082584072
                   +0 :              -0.00000251959224
                   +1 :              -0.00004705175942
                   +2 :              -0.00002329390539
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00006001852438
                2s
                   +0 :              -0.00074218113407
                3s
                   +0 :               0.00011106411217
                2p
                   -1 :               0.00100248836322
                   +0 :               0.00003987472301
                   +1 :               0.00013407667991
                3p
                   -1 :              -0.00028749147861
                   +0 :              -0.00001844440200
                   +1 :               0.00004058402851
                3d
                   -2 :              -0.00003132847392
                   -1 :               0.00000888329457
                   +0 :               0.00000200139135
                   +1 :              -0.00000609289345
                   +2 :               0.00001018008538
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001905367737
                2s
                   +0 :              -0.00043785798105
                3s
                   +0 :               0.00002016359059
                2p
                   -1 :              -0.00043266648415
                   +0 :               0.00005030276646
                   +1 :               0.00034470957168
                3p
                   -1 :               0.00002252399486
                   +0 :              -0.00006476861463
                   +1 :              -0.00010328968479
                3d
                   -2 :               0.00001851797046
                   -1 :              -0.00001924512713
                   +0 :               0.00001561294841
                   +1 :               0.00000063689185
                   +2 :               0.00001676590559
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008926090870
                2s
                   +0 :               0.00088262812629
                3s
                   +0 :              -0.00021232075535
                2p
                   -1 :              -0.00077965566111
                   +0 :               0.00019222713871
                   +1 :               0.00032847540735
                3p
                   -1 :               0.00022178761421
                   +0 :              -0.00018334399480
                   +1 :              -0.00003763877535
                3d
                   -2 :              -0.00002622074112
                   -1 :               0.00000792880667
                   +0 :              -0.00001211860631
                   +1 :               0.00001059753409
                   +2 :              -0.00000049905580
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002161177349
                2s
                   +0 :               0.00035997878958
                3s
                   +0 :               0.00000022224630
                2p
                   -1 :               0.00027751530904
                   +0 :               0.00008824755509
                   +1 :               0.00008594400321
                3p
                   -1 :               0.00003552172445
                   +0 :              -0.00006022979629
                   +1 :               0.00007431450762
                3d
                   -2 :               0.00002134663582
                   -1 :              -0.00000552902799
                   +0 :              -0.00001738511535
                   +1 :               0.00000801000049
                   +2 :              -0.00000245637558
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00012914981824
                2s
                   +0 :               0.00141652908184
                3s
                   +0 :              -0.00024295400262
                2p
                   -1 :              -0.00001353057681
                   +0 :              -0.00016389611542
                   +1 :               0.00129897910424
                3p
                   -1 :              -0.00002421737018
                   +0 :               0.00016054951372
                   +1 :              -0.00017318553948
                3d
                   -2 :              -0.00001673564069
                   -1 :               0.00002362355074
                   +0 :              -0.00003565928754
                   +1 :               0.00000918371866
                   +2 :               0.00006082785290
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001256954976
                2s
                   +0 :              -0.00015548056134
                3s
                   +0 :               0.00002605348781
                2p
                   -1 :               0.00009043388687
                   +0 :               0.00004615905213
                   +1 :               0.00014959692344
                3p
                   -1 :              -0.00000467458335
                   +0 :              -0.00002925421414
                   +1 :              -0.00003823383479
                3d
                   -2 :               0.00000069789407
                   -1 :              -0.00000270402616
                   +0 :               0.00000322499835
                   +1 :               0.00000474082819
                   +2 :               0.00000416110671
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001077781468
                2s
                   +0 :              -0.00009753210916
                3s
                   +0 :               0.00000616785584
                2p
                   -1 :              -0.00000881653901
                   +0 :              -0.00001148969076
                   +1 :               0.00005742756404
                3p
                   -1 :              -0.00001726002813
                   +0 :               0.00000666017058
                   +1 :               0.00001913390082
                3d
                   -2 :              -0.00000353252593
                   -1 :              -0.00000148283732
                   +0 :              -0.00000091063636
                   +1 :              -0.00000342334248
                   +2 :               0.00000037830138
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000707061137
                2s
                   +0 :              -0.00004021942248
                3s
                   +0 :               0.00001447732077
                2p
                   -1 :               0.00006232350127
                   +0 :              -0.00004714047219
                   +1 :              -0.00007455708321
                3p
                   -1 :              -0.00005186472804
                   +0 :               0.00004187415513
                   +1 :               0.00002939858931
                3d
                   -2 :               0.00000085587146
                   -1 :              -0.00000224385560
                   +0 :               0.00000164666754
                   +1 :               0.00000177530747
                   +2 :               0.00000108125402
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000638120603
                2s
                   +0 :              -0.00004616955497
                3s
                   +0 :               0.00002393711588
                2p
                   -1 :              -0.00006649452113
                   +0 :               0.00002119648530
                   +1 :              -0.00003555012773
                3p
                   -1 :               0.00004728262780
                   +0 :              -0.00001999331533
                   +1 :              -0.00000108263314
                3d
                   -2 :              -0.00000325832934
                   -1 :              -0.00000196007962
                   +0 :              -0.00000022133480
                   +1 :              -0.00000135041870
                   +2 :              -0.00000319447912
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001030176616
                2s
                   +0 :               0.00010917360264
                3s
                   +0 :              -0.00001287219491
                2p
                   -1 :              -0.00005044129139
                   +0 :              -0.00000373261369
                   +1 :               0.00010507749363
                3p
                   -1 :               0.00001828012573
                   +0 :               0.00000530973847
                   +1 :              -0.00001577542417
                3d
                   -2 :               0.00000192279154
                   -1 :               0.00000043248113
                   +0 :              -0.00000028326942
                   +1 :               0.00000002141177
                   +2 :               0.00000297660613
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001946953863
                2s
                   +0 :               0.00021037275978
                3s
                   +0 :              -0.00004860716349
                2p
                   -1 :               0.00006562294894
                   +0 :               0.00000272024290
                   +1 :               0.00014502320492
                3p
                   -1 :               0.00001063452413
                   +0 :               0.00000164771807
                   +1 :              -0.00002686843306
                3d
                   -2 :               0.00000050279503
                   -1 :               0.00000565070612
                   +0 :              -0.00000159549397
                   +1 :               0.00000088934586
                   +2 :              -0.00000202660410
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 17)  npairs=  12
              1 vec=     4.767684      0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00500076902507
                2s
                   +0 :               0.11467090314413
                3s
                   +0 :              -0.01179959420482
                2p
                   -1 :               0.00735742182151
                   +0 :               0.00441686453225
                   +1 :               0.07070139878172
                3p
                   -1 :              -0.00370655515480
                   +0 :              -0.00391083657457
                   +1 :              -0.00987200238525
                3d
                   -2 :              -0.00123225060756
                   -1 :              -0.00105975913855
                   +0 :              -0.00237837725277
                   +1 :              -0.00015365945862
                   +2 :               0.00357913669744
              2 vec=    -3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00015303168247
                2s
                   +0 :              -0.02688624822584
                3s
                   +0 :              -0.00465195645755
                2p
                   -1 :               0.02136320293580
                   +0 :               0.00315061614116
                   +1 :               0.00806828496896
                3p
                   -1 :               0.00442659240313
                   +0 :              -0.00348797197246
                   +1 :               0.00212488948276
                3d
                   -2 :              -0.00189732789372
                   -1 :               0.00069360742389
                   +0 :               0.00126539797398
                   +1 :              -0.00053646130796
                   +2 :               0.00148359606175
              3 vec=    -3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00152206820592
                2s
                   +0 :              -0.03022073535539
                3s
                   +0 :               0.00283960209663
                2p
                   -1 :              -0.02130579035208
                   +0 :               0.00195294228071
                   +1 :               0.00961258935562
                3p
                   -1 :               0.00255747381609
                   +0 :              -0.00154390542485
                   +1 :              -0.00044346015817
                3d
                   -2 :               0.00083695303942
                   -1 :               0.00033080107060
                   +0 :               0.00077839402161
                   +1 :              -0.00029392812012
                   +2 :               0.00115261030559
              4 vec=     4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00028176664435
                2s
                   +0 :               0.00296577436887
                3s
                   +0 :              -0.00018357235731
                2p
                   -1 :              -0.00390705703142
                   +0 :              -0.00002175613859
                   +1 :               0.00125369639057
                3p
                   -1 :              -0.00015690127066
                   +0 :               0.00020492848649
                   +1 :              -0.00002185905981
                3d
                   -2 :              -0.00025526911550
                   -1 :              -0.00009297409225
                   +0 :              -0.00019273226977
                   +1 :               0.00000579367360
                   +2 :              -0.00015159482056
              5 vec=     4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00022869631180
                2s
                   +0 :               0.00251736891393
                3s
                   +0 :              -0.00043178212080
                2p
                   -1 :               0.00257758785447
                   +0 :              -0.00037998651657
                   +1 :               0.00171853491526
                3p
                   -1 :              -0.00054021554525
                   +0 :               0.00020049416796
                   +1 :              -0.00072032692397
                3d
                   -2 :               0.00002306715536
                   -1 :              -0.00006279141573
                   +0 :               0.00005080302141
                   +1 :               0.00002127247117
                   +2 :              -0.00006448379758
              6 vec=   -10.792642     -0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00099823419202
                2s
                   +0 :              -0.00826035769076
                3s
                   +0 :               0.00250994559215
                2p
                   -1 :               0.00008756280600
                   +0 :              -0.00164085988382
                   +1 :               0.00785397005377
                3p
                   -1 :               0.00010245186976
                   +0 :               0.00156220387956
                   +1 :              -0.00266678825063
                3d
                   -2 :              -0.00005543854371
                   -1 :               0.00005084924206
                   +0 :               0.00006129418474
                   +1 :              -0.00009199655797
                   +2 :              -0.00006736274807
              7 vec=    12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00001940624099
                2s
                   +0 :               0.00060884667887
                3s
                   +0 :               0.00002755126448
                2p
                   -1 :              -0.00034237274658
                   +0 :              -0.00009431206046
                   +1 :              -0.00018986138441
                3p
                   -1 :               0.00012316682687
                   +0 :               0.00010898252850
                   +1 :               0.00027867432697
                3d
                   -2 :               0.00003192473738
                   -1 :              -0.00000712388079
                   +0 :              -0.00002921460966
                   +1 :              -0.00000935977703
                   +2 :               0.00000578219964
              8 vec=    12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00007323451533
                2s
                   +0 :               0.00100284884806
                3s
                   +0 :              -0.00001252034601
                2p
                   -1 :               0.00042678497124
                   +0 :               0.00007949830189
                   +1 :              -0.00029527811650
                3p
                   -1 :               0.00009705498872
                   +0 :              -0.00008209542838
                   +1 :               0.00033572040130
                3d
                   -2 :               0.00000413045637
                   -1 :              -0.00001811475996
                   +0 :              -0.00002693796055
                   +1 :              -0.00000436035695
                   +2 :              -0.00003896261565
              9 vec=    -3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00005404186794
                2s
                   +0 :               0.00039319242783
                3s
                   +0 :              -0.00014864991577
                2p
                   -1 :              -0.00034529775965
                   +0 :              -0.00010543537755
                   +1 :              -0.00056942736512
                3p
                   -1 :               0.00019398120605
                   +0 :               0.00010315278081
                   +1 :               0.00011732810776
                3d
                   -2 :               0.00004117739252
                   -1 :              -0.00000076349960
                   +0 :               0.00002909326408
                   +1 :               0.00000562672833
                   +2 :               0.00000017448889
             10 vec=    -3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00000808894395
                2s
                   +0 :              -0.00011761250694
                3s
                   +0 :               0.00003787180506
                2p
                   -1 :              -0.00007328069770
                   +0 :              -0.00006364674060
                   +1 :              -0.00021896392008
                3p
                   -1 :               0.00005775169655
                   +0 :               0.00004185818967
                   +1 :              -0.00011988387435
                3d
                   -2 :              -0.00005215925319
                   -1 :               0.00000041176975
                   +0 :              -0.00001401714074
                   +1 :               0.00001544207477
                   +2 :              -0.00000748152490
             11 vec=   -10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00009498400086
                2s
                   +0 :              -0.00091757734525
                3s
                   +0 :               0.00024425820465
                2p
                   -1 :              -0.00002999095385
                   +0 :               0.00010319760677
                   +1 :               0.00071257936137
                3p
                   -1 :               0.00003352550773
                   +0 :              -0.00007647660424
                   +1 :              -0.00034909166613
                3d
                   -2 :               0.00002419958161
                   -1 :              -0.00000280497932
                   +0 :              -0.00002554593398
                   +1 :               0.00000321411156
                   +2 :               0.00000852862321
             12 vec=   -10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00005325790679
                2s
                   +0 :              -0.00072119993903
                3s
                   +0 :               0.00013909178667
                2p
                   -1 :              -0.00029386945404
                   +0 :               0.00007482895902
                   +1 :               0.00029711118513
                3p
                   -1 :              -0.00001272624159
                   +0 :              -0.00005138441695
                   +1 :              -0.00000141657844
                3d
                   -2 :               0.00000734535772
                   -1 :               0.00000935089190
                   +0 :               0.00000736453452
                   +1 :              -0.00000003903526
                   +2 :               0.00001357494886
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 18)  npairs=  12
              1 vec=     2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00162971312629
                2s
                   +0 :               0.05495092999467
                3s
                   +0 :              -0.00413019234070
                2p
                   -1 :              -0.04165368269308
                   +0 :              -0.00367527145067
                   +1 :               0.00826906500300
                3p
                   -1 :               0.00748398921163
                   +0 :               0.00199451255745
                   +1 :              -0.00179515598960
                3d
                   -2 :              -0.00127102468989
                   -1 :              -0.00037407041904
                   +0 :              -0.00055118519546
                   +1 :              -0.00048786335488
                   +2 :              -0.00124412654306
              2 vec=    -5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00075029828498
                2s
                   +0 :              -0.04740139614981
                3s
                   +0 :              -0.00278627257763
                2p
                   -1 :              -0.00316138838748
                   +0 :               0.00365589480756
                   +1 :               0.03404927835365
                3p
                   -1 :              -0.00312166384183
                   +0 :              -0.00437026359955
                   +1 :               0.00665449897910
                3d
                   -2 :               0.00038833771560
                   -1 :               0.00003662687468
                   +0 :               0.00191042564467
                   +1 :               0.00099605895069
                   +2 :              -0.00350500121579
              3 vec=     2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00212859220440
                2s
                   +0 :               0.02808494273096
                3s
                   +0 :              -0.00546051739052
                2p
                   -1 :               0.01781362317860
                   +0 :              -0.00049663601169
                   +1 :               0.00259945560379
                3p
                   -1 :              -0.00327406343330
                   +0 :               0.00026380400098
                   +1 :               0.00081496453466
                3d
                   -2 :               0.00045521594434
                   -1 :              -0.00004983200854
                   +0 :              -0.00039292193202
                   +1 :              -0.00042690656441
                   +2 :              -0.00070378693081
              4 vec=    -5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00074204004472
                2s
                   +0 :              -0.00602972387822
                3s
                   +0 :               0.00161616679920
                2p
                   -1 :               0.00585684648646
                   +0 :               0.00016621483382
                   +1 :               0.00066494418477
                3p
                   -1 :              -0.00134660514056
                   +0 :              -0.00016575059001
                   +1 :               0.00113517782407
                3d
                   -2 :              -0.00035296472591
                   -1 :               0.00007029710931
                   +0 :               0.00038299483370
                   +1 :               0.00011467842779
                   +2 :               0.00005486051946
              5 vec=    10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00051169128402
                2s
                   +0 :               0.00600890213782
                3s
                   +0 :              -0.00037692695469
                2p
                   -1 :               0.00148942293106
                   +0 :              -0.00035003331343
                   +1 :               0.00837526756584
                3p
                   -1 :              -0.00012217386921
                   +0 :              -0.00002015828655
                   +1 :              -0.00072863663034
                3d
                   -2 :               0.00002131058476
                   -1 :              -0.00001385603842
                   +0 :              -0.00019049223938
                   +1 :              -0.00011233603025
                   +2 :               0.00043372295861
              6 vec=    -5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00031235562276
                2s
                   +0 :              -0.00316719471317
                3s
                   +0 :               0.00060357212814
                2p
                   -1 :              -0.00339362602316
                   +0 :               0.00035226473160
                   +1 :               0.00079233669164
                3p
                   -1 :               0.00085417658144
                   +0 :              -0.00035628488622
                   +1 :              -0.00005924740834
                3d
                   -2 :               0.00007193207762
                   -1 :               0.00002218416635
                   +0 :               0.00006853763205
                   +1 :               0.00008207104190
                   +2 :               0.00009982323012
              7 vec=     2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00008480194070
                2s
                   +0 :               0.00066280841399
                3s
                   +0 :              -0.00014420266553
                2p
                   -1 :               0.00011062211108
                   +0 :              -0.00015741822404
                   +1 :              -0.00039053200747
                3p
                   -1 :              -0.00017884185101
                   +0 :               0.00015877950980
                   +1 :               0.00012189620777
                3d
                   -2 :               0.00001239726930
                   -1 :              -0.00001421642931
                   +0 :              -0.00002630918382
                   +1 :              -0.00001400243834
                   +2 :               0.00001174061030
              8 vec=    10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00004704813620
                2s
                   +0 :               0.00094674766514
                3s
                   +0 :              -0.00003262946578
                2p
                   -1 :               0.00002114576865
                   +0 :               0.00005988700957
                   +1 :               0.00038003982254
                3p
                   -1 :              -0.00036665098713
                   +0 :              -0.00006946786103
                   +1 :              -0.00002720600061
                3d
                   -2 :              -0.00003545048362
                   -1 :              -0.00000703344539
                   +0 :              -0.00002732070843
                   +1 :              -0.00000117955002
                   +2 :              -0.00003196195844
              9 vec=   -13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00006038553982
                2s
                   +0 :              -0.00085750788078
                3s
                   +0 :               0.00016886423657
                2p
                   -1 :               0.00070756542943
                   +0 :               0.00005127232323
                   +1 :               0.00024305807769
                3p
                   -1 :              -0.00022264613499
                   +0 :              -0.00004626009854
                   +1 :              -0.00003428751141
                3d
                   -2 :              -0.00000587853250
                   -1 :               0.00002767928711
                   +0 :               0.00000951365903
                   +1 :              -0.00000074825216
                   +2 :               0.00001241238300
             10 vec=    10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00005425603306
                2s
                   +0 :               0.00073821772881
                3s
                   +0 :              -0.00006485051119
                2p
                   -1 :               0.00081435769976
                   +0 :              -0.00003678206626
                   +1 :               0.00022376120961
                3p
                   -1 :              -0.00032379560781
                   +0 :               0.00001060435925
                   +1 :               0.00008777996499
                3d
                   -2 :               0.00000041601817
                   -1 :               0.00000464705726
                   +0 :              -0.00000737110501
                   +1 :              -0.00001316264363
                   +2 :               0.00002242839824
             11 vec=   -13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00000309644222
                2s
                   +0 :              -0.00031802092716
                3s
                   +0 :               0.00002068859884
                2p
                   -1 :               0.00002591093994
                   +0 :              -0.00017551137280
                   +1 :               0.00006181859608
                3p
                   -1 :              -0.00011050932838
                   +0 :               0.00015496218349
                   +1 :               0.00003055541622
                3d
                   -2 :              -0.00001363480255
                   -1 :               0.00000588095478
                   +0 :               0.00000724777167
                   +1 :              -0.00000226136906
                   +2 :               0.00001339126650
             12 vec=     2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00000419298463
                2s
                   +0 :               0.00004859079649
                3s
                   +0 :               0.00004203845990
                2p
                   -1 :               0.00004056818052
                   +0 :               0.00012901283310
                   +1 :              -0.00014026782280
                3p
                   -1 :              -0.00000944629312
                   +0 :              -0.00012214318646
                   +1 :              -0.00002425226401
                3d
                   -2 :              -0.00000566706561
                   -1 :              -0.00000161958774
                   +0 :              -0.00000865496950
                   +1 :              -0.00001146769300
                   +2 :               0.00000557171344
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 19)  npairs=  14
              1 vec=     2.174555      1.739106     -4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00106063507763
                2s
                   +0 :               0.03852858146192
                3s
                   +0 :              -0.00174873921405
                2p
                   -1 :               0.00855694572678
                   +0 :              -0.02792887873963
                   +1 :               0.00254562091414
                3p
                   -1 :               0.00106181397157
                   +0 :               0.00577023160651
                   +1 :               0.00147115246614
                3d
                   -2 :               0.00081087984757
                   -1 :              -0.00060645921243
                   +0 :               0.00075539050027
                   +1 :               0.00009190976068
                   +2 :              -0.00041338401468
              2 vec=    -5.605607     -2.752773     -4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00012770192889
                2s
                   +0 :               0.00044230041653
                3s
                   +0 :              -0.00036658807199
                2p
                   -1 :               0.00489800852880
                   +0 :              -0.00330584449074
                   +1 :               0.00189678241364
                3p
                   -1 :              -0.00356651628928
                   +0 :               0.00417872647713
                   +1 :              -0.00019269532658
                3d
                   -2 :               0.00024432997438
                   -1 :               0.00005997235844
                   +0 :              -0.00032194430035
                   +1 :               0.00035514336474
                   +2 :               0.00012539705665
              3 vec=     2.174555     -7.244652     -4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00042310475613
                2s
                   +0 :               0.00250167363460
                3s
                   +0 :              -0.00127900759217
                2p
                   -1 :              -0.00176075021660
                   +0 :              -0.00428197009018
                   +1 :              -0.00065359849840
                3p
                   -1 :               0.00138673408260
                   +0 :               0.00165341432278
                   +1 :               0.00004548576632
                3d
                   -2 :               0.00003915803558
                   -1 :              -0.00023088456813
                   +0 :               0.00022820220457
                   +1 :               0.00019970656449
                   +2 :               0.00018321688113
              4 vec=    -5.605607      6.230985     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00026544086128
                2s
                   +0 :              -0.00167435852675
                3s
                   +0 :               0.00037158353590
                2p
                   -1 :              -0.00041289571453
                   +0 :               0.00116847440723
                   +1 :              -0.00090094945387
                3p
                   -1 :              -0.00022862834404
                   +0 :              -0.00064983629038
                   +1 :               0.00139965539804
                3d
                   -2 :               0.00003158148471
                   -1 :              -0.00011256430575
                   +0 :              -0.00001768020791
                   +1 :              -0.00001980532751
                   +2 :              -0.00002657041696
              5 vec=     9.954718     -2.752773     -4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00017352792662
                2s
                   +0 :              -0.00038248806950
                3s
                   +0 :               0.00049867257110
                2p
                   -1 :               0.00031856878912
                   +0 :              -0.00085448525359
                   +1 :               0.00078841697438
                3p
                   -1 :              -0.00054665420364
                   +0 :               0.00020496691846
                   +1 :              -0.00030518495915
                3d
                   -2 :              -0.00000973165501
                   -1 :              -0.00000097021554
                   +0 :               0.00010223045186
                   +1 :              -0.00001513656104
                   +2 :              -0.00005601706994
              6 vec=     2.174555     10.722864     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00006382763106
                2s
                   +0 :              -0.00026694335072
                3s
                   +0 :               0.00010888060387
                2p
                   -1 :              -0.00034912378963
                   +0 :               0.00015682967098
                   +1 :               0.00024188608268
                3p
                   -1 :               0.00036552738649
                   +0 :              -0.00013823904085
                   +1 :              -0.00032972388486
                3d
                   -2 :              -0.00003428871210
                   -1 :               0.00003878782073
                   +0 :              -0.00002450349784
                   +1 :               0.00002759834490
                   +2 :               0.00002028256359
              7 vec=     9.954718      6.230985     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00000238419317
                2s
                   +0 :               0.00043130846832
                3s
                   +0 :               0.00009840292708
                2p
                   -1 :               0.00025670912665
                   +0 :              -0.00065485323112
                   +1 :               0.00032578358216
                3p
                   -1 :              -0.00018642557365
                   +0 :               0.00045294350222
                   +1 :              -0.00013639918630
                3d
                   -2 :              -0.00001126649063
                   -1 :               0.00003023679633
                   +0 :              -0.00003330058485
                   +1 :               0.00005146874766
                   +2 :               0.00001726009549
              8 vec=    -5.605607    -11.736531     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00003875033191
                2s
                   +0 :               0.00000540355105
                3s
                   +0 :              -0.00014073833267
                2p
                   -1 :              -0.00020803470619
                   +0 :               0.00052707876396
                   +1 :              -0.00017618030502
                3p
                   -1 :               0.00023838183249
                   +0 :              -0.00020242115278
                   +1 :              -0.00001762840203
                3d
                   -2 :               0.00001995876798
                   -1 :              -0.00001557496686
                   +0 :              -0.00001447977126
                   +1 :               0.00002631457083
                   +2 :               0.00000658837900
              9 vec=   -13.385770      1.739106     -4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00008886128154
                2s
                   +0 :              -0.00081554063061
                3s
                   +0 :               0.00020468959816
                2p
                   -1 :              -0.00035444571820
                   +0 :               0.00022766945233
                   +1 :               0.00031597826786
                3p
                   -1 :               0.00019885868262
                   +0 :              -0.00001218120411
                   +1 :              -0.00014003367446
                3d
                   -2 :              -0.00001768044362
                   -1 :              -0.00001331508015
                   +0 :              -0.00001386699793
                   +1 :               0.00000540552870
                   +2 :               0.00002397599378
             10 vec=   -13.385770     -7.244652     -4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000493102241
                2s
                   +0 :              -0.00006433590042
                3s
                   +0 :               0.00000347631609
                2p
                   -1 :               0.00012742677230
                   +0 :               0.00011300751973
                   +1 :              -0.00003740652716
                3p
                   -1 :              -0.00009278320604
                   +0 :              -0.00003628430080
                   +1 :               0.00004239192549
                3d
                   -2 :              -0.00000937832294
                   -1 :               0.00000919104347
                   +0 :              -0.00000083756563
                   +1 :              -0.00000072666615
                   +2 :              -0.00000991780118
             11 vec=     9.954718    -11.736531     -4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00006445004607
                2s
                   +0 :               0.00040308982941
                3s
                   +0 :              -0.00018390905703
                2p
                   -1 :              -0.00015065433573
                   +0 :              -0.00016495078874
                   +1 :               0.00014391944385
                3p
                   -1 :               0.00003992653770
                   +0 :               0.00010634830755
                   +1 :              -0.00009894806106
                3d
                   -2 :              -0.00000051261175
                   -1 :              -0.00000663761890
                   +0 :              -0.00001079037555
                   +1 :               0.00001404960899
                   +2 :              -0.00000250677757
             12 vec=    -5.605607     15.214743     -4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00001893659881
                2s
                   +0 :              -0.00013022358188
                3s
                   +0 :               0.00005773938412
                2p
                   -1 :              -0.00018796194935
                   +0 :               0.00001438451392
                   +1 :               0.00001436475742
                3p
                   -1 :               0.00013180126436
                   +0 :              -0.00001931122901
                   +1 :              -0.00003198529987
                3d
                   -2 :              -0.00000424459175
                   -1 :               0.00000081806263
                   +0 :              -0.00000106648947
                   +1 :               0.00000791978492
                   +2 :              -0.00000311606205
             13 vec=     2.174555    -16.228410     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000804752653
                2s
                   +0 :               0.00005127915509
                3s
                   +0 :              -0.00001633318910
                2p
                   -1 :               0.00004807221360
                   +0 :              -0.00000582191887
                   +1 :              -0.00002587645687
                3p
                   -1 :              -0.00006429452837
                   +0 :               0.00000531718665
                   +1 :               0.00003569603134
                3d
                   -2 :               0.00000375161238
                   -1 :              -0.00000512832283
                   +0 :              -0.00000290060748
                   +1 :               0.00000120741620
                   +2 :               0.00000353242048
             14 vec=   -13.385770     10.722864     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00001302828816
                2s
                   +0 :              -0.00009572836985
                3s
                   +0 :               0.00002433416876
                2p
                   -1 :              -0.00000094122909
                   +0 :               0.00002672317936
                   +1 :               0.00009177592629
                3p
                   -1 :              -0.00001443845680
                   +0 :               0.00000112384231
                   +1 :              -0.00004312059233
                3d
                   -2 :              -0.00000745107122
                   -1 :              -0.00000363608243
                   +0 :              -0.00000067853162
                   +1 :              -0.00000292115404
                   +2 :               0.00000071265010
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 20)  npairs=  14
              1 vec=    -2.593647      1.739106     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00222887311011
                2s
                   +0 :              -0.04004868754615
                3s
                   +0 :               0.00468770610370
                2p
                   -1 :              -0.00811404776699
                   +0 :               0.02068838061995
                   +1 :               0.01583655423805
                3p
                   -1 :              -0.00078442440252
                   +0 :               0.00030761601904
                   +1 :              -0.00757736062850
                3d
                   -2 :               0.00054781879814
                   -1 :               0.00176435418440
                   +0 :              -0.00133473945981
                   +1 :              -0.00046967353533
                   +2 :               0.00046872869056
              2 vec=     5.186516     -2.752773     -4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00120219605272
                2s
                   +0 :               0.00709877559799
                3s
                   +0 :              -0.00403976538417
                2p
                   -1 :              -0.00243773771872
                   +0 :               0.00030554510514
                   +1 :               0.00796681183058
                3p
                   -1 :               0.00182708709518
                   +0 :              -0.00099301035339
                   +1 :              -0.00661281192938
                3d
                   -2 :               0.00037807666931
                   -1 :              -0.00010034745072
                   +0 :               0.00024534533746
                   +1 :               0.00020990090034
                   +2 :              -0.00017084851512
              3 vec=    -2.593647     -7.244652     -4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00019749514385
                2s
                   +0 :               0.00138737627136
                3s
                   +0 :              -0.00058458356792
                2p
                   -1 :              -0.00125547173617
                   +0 :               0.00214021585679
                   +1 :               0.00012279068472
                3p
                   -1 :               0.00070489145611
                   +0 :              -0.00085237327320
                   +1 :              -0.00061648889317
                3d
                   -2 :               0.00013768971383
                   -1 :              -0.00012564090634
                   +0 :              -0.00008637318751
                   +1 :               0.00010336272478
                   +2 :               0.00002955102417
              4 vec=     5.186516      6.230985     -4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00011121602594
                2s
                   +0 :               0.00064889874657
                3s
                   +0 :              -0.00022892673027
                2p
                   -1 :               0.00240676269204
                   +0 :              -0.00105946097796
                   +1 :               0.00160158847352
                3p
                   -1 :              -0.00187823814208
                   +0 :               0.00100164996833
                   +1 :              -0.00111868137399
                3d
                   -2 :              -0.00007568951470
                   -1 :               0.00007855341528
                   +0 :               0.00001425521618
                   +1 :               0.00001289899480
                   +2 :               0.00001974911797
              5 vec=   -10.373810     -2.752773     -4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00013135432705
                2s
                   +0 :              -0.00127348055256
                3s
                   +0 :               0.00049001162244
                2p
                   -1 :               0.00069959405646
                   +0 :               0.00003076533379
                   +1 :               0.00135506062562
                3p
                   -1 :              -0.00059255398883
                   +0 :               0.00020763522663
                   +1 :              -0.00086428434391
                3d
                   -2 :               0.00007859395138
                   -1 :               0.00005730681158
                   +0 :              -0.00001215213666
                   +1 :              -0.00008944030668
                   +2 :              -0.00000147070945
              6 vec=    -2.593647     10.722864     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00001363392061
                2s
                   +0 :              -0.00001728789415
                3s
                   +0 :              -0.00006840125147
                2p
                   -1 :               0.00004639492085
                   +0 :              -0.00038014453470
                   +1 :              -0.00024677863883
                3p
                   -1 :              -0.00024218284256
                   +0 :               0.00037318766595
                   +1 :               0.00010576742541
                3d
                   -2 :               0.00003282133349
                   -1 :               0.00002762576363
                   +0 :               0.00006457198875
                   +1 :               0.00003248967660
                   +2 :               0.00004229751948
              7 vec=   -10.373810      6.230985     -4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00003138106408
                2s
                   +0 :              -0.00067351780379
                3s
                   +0 :               0.00007962689962
                2p
                   -1 :               0.00033467094443
                   +0 :               0.00018529350660
                   +1 :               0.00038519291071
                3p
                   -1 :              -0.00023723596113
                   +0 :              -0.00007882892930
                   +1 :              -0.00018141025155
                3d
                   -2 :               0.00002544114334
                   -1 :              -0.00002209633344
                   +0 :              -0.00001268351529
                   +1 :              -0.00001087726174
                   +2 :               0.00001286112815
              8 vec=     5.186516    -11.736531     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00001476467612
                2s
                   +0 :               0.00012578022536
                3s
                   +0 :               0.00007064527083
                2p
                   -1 :              -0.00033452020203
                   +0 :              -0.00024592104766
                   +1 :              -0.00056395337968
                3p
                   -1 :               0.00032084885272
                   +0 :               0.00001225466669
                   +1 :               0.00040479695489
                3d
                   -2 :              -0.00000847478912
                   -1 :               0.00002170695018
                   +0 :              -0.00000240616667
                   +1 :               0.00001435446921
                   +2 :               0.00002912823346
              9 vec=    12.966678      1.739106     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00003888664383
                2s
                   +0 :               0.00065561722064
                3s
                   +0 :               0.00000362601201
                2p
                   -1 :              -0.00012312578694
                   +0 :              -0.00039479453079
                   +1 :              -0.00010740391555
                3p
                   -1 :               0.00023839269632
                   +0 :              -0.00002650977096
                   +1 :               0.00022346059696
                3d
                   -2 :               0.00000411121591
                   -1 :              -0.00003587619180
                   +0 :               0.00002486736329
                   +1 :               0.00000082806207
                   +2 :              -0.00000630113994
             10 vec=    12.966678     -7.244652     -4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00003186451338
                2s
                   +0 :               0.00022364878231
                3s
                   +0 :              -0.00005095971029
                2p
                   -1 :              -0.00006889588887
                   +0 :              -0.00009435614467
                   +1 :               0.00019685910936
                3p
                   -1 :              -0.00000878641795
                   +0 :               0.00005571258001
                   +1 :              -0.00008815279371
                3d
                   -2 :              -0.00000796940841
                   -1 :              -0.00000343017325
                   +0 :               0.00000643747401
                   +1 :               0.00000100715705
                   +2 :              -0.00000786313074
             11 vec=   -10.373810    -11.736531     -4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000850540047
                2s
                   +0 :              -0.00011667719941
                3s
                   +0 :               0.00004084627270
                2p
                   -1 :               0.00010465968746
                   +0 :               0.00008981512793
                   +1 :               0.00007370276501
                3p
                   -1 :              -0.00002342813857
                   +0 :              -0.00005178252852
                   +1 :              -0.00002415457509
                3d
                   -2 :               0.00000035754538
                   -1 :               0.00000925218457
                   +0 :               0.00001467702563
                   +1 :               0.00000614850501
                   +2 :               0.00000372216848
             12 vec=     5.186516     15.214743     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00001477915780
                2s
                   +0 :               0.00010113583974
                3s
                   +0 :              -0.00003260157888
                2p
                   -1 :               0.00005075127083
                   +0 :               0.00004468599771
                   +1 :              -0.00004103601068
                3p
                   -1 :               0.00000419708199
                   +0 :              -0.00006840097186
                   +1 :               0.00002683143732
                3d
                   -2 :              -0.00000106231492
                   -1 :              -0.00000394412671
                   +0 :               0.00000175726214
                   +1 :               0.00000440625401
                   +2 :               0.00000334879257
             13 vec=    -2.593647    -16.228410     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00000479589877
                2s
                   +0 :              -0.00003408698333
                3s
                   +0 :               0.00002120978790
                2p
                   -1 :               0.00001650940748
                   +0 :               0.00003518391813
                   +1 :              -0.00001718444352
                3p
                   -1 :              -0.00001049136051
                   +0 :              -0.00002794253871
                   +1 :               0.00000478771321
                3d
                   -2 :              -0.00000507709472
                   -1 :              -0.00000199185999
                   +0 :              -0.00000248511684
                   +1 :               0.00000132176758
                   +2 :               0.00000044933692
             14 vec=    12.966678     10.722864     -4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00000600053767
                2s
                   +0 :               0.00006983258205
                3s
                   +0 :              -0.00000094345138
                2p
                   -1 :               0.00005215058949
                   +0 :              -0.00000813414988
                   +1 :              -0.00008851508036
                3p
                   -1 :              -0.00000565115627
                   +0 :              -0.00002699067306
                   +1 :               0.00012383323844
                3d
                   -2 :               0.00000634552472
                   -1 :               0.00000291076877
                   +0 :               0.00000400055681
                   +1 :              -0.00000192645296
                   +2 :               0.00000329665090
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 21)  npairs=  14
              1 vec=    -0.209546     -3.115268     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00239382204102
                2s
                   +0 :              -0.01477672444515
                3s
                   +0 :               0.00566599407357
                2p
                   -1 :               0.00624876627321
                   +0 :               0.00088867888772
                   +1 :              -0.00299871115540
                3p
                   -1 :              -0.00471273716522
                   +0 :               0.00194439176321
                   +1 :              -0.00419452248221
                3d
                   -2 :               0.00093311395894
                   -1 :               0.00009736548853
                   +0 :              -0.00085941747526
                   +1 :               0.00139273097235
                   +2 :              -0.00005034524910
              2 vec=    -0.209546      5.868490     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00007837874730
                2s
                   +0 :              -0.00171259056162
                3s
                   +0 :               0.00032026052535
                2p
                   -1 :              -0.00424058207619
                   +0 :               0.00077533972412
                   +1 :               0.00259111805813
                3p
                   -1 :               0.00319895566513
                   +0 :              -0.00023686931219
                   +1 :              -0.00289112301891
                3d
                   -2 :              -0.00011505914174
                   -1 :               0.00001286447272
                   +0 :              -0.00005856222335
                   +1 :               0.00017239538033
                   +2 :              -0.00035070856387
              3 vec=     7.570617      1.376611     -4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00021337743506
                2s
                   +0 :               0.00120737763922
                3s
                   +0 :              -0.00035523358394
                2p
                   -1 :               0.00146085842477
                   +0 :              -0.00382772198414
                   +1 :               0.00123921648722
                3p
                   -1 :              -0.00016519477272
                   +0 :               0.00050796753668
                   +1 :              -0.00079079541316
                3d
                   -2 :              -0.00006285641846
                   -1 :              -0.00014667349553
                   +0 :               0.00021082930724
                   +1 :               0.00005773124520
                   +2 :              -0.00009219422259
              4 vec=    -7.989708      1.376611     -4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00028861964876
                2s
                   +0 :              -0.00154047788272
                3s
                   +0 :               0.00036678083813
                2p
                   -1 :              -0.00203085499080
                   +0 :               0.00240432063192
                   +1 :              -0.00045478443899
                3p
                   -1 :               0.00139706129769
                   +0 :              -0.00008471763107
                   +1 :               0.00071969747355
                3d
                   -2 :               0.00006104026918
                   -1 :               0.00009873023727
                   +0 :              -0.00004061127221
                   +1 :              -0.00017589821114
                   +2 :              -0.00011811331276
              5 vec=     7.570617     -7.607147     -4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00021940214225
                2s
                   +0 :              -0.00098870572495
                3s
                   +0 :               0.00069723115623
                2p
                   -1 :               0.00091741732967
                   +0 :              -0.00064341173254
                   +1 :              -0.00062694500006
                3p
                   -1 :              -0.00093562354400
                   +0 :               0.00027755300034
                   +1 :               0.00059809753736
                3d
                   -2 :              -0.00002575277565
                   -1 :              -0.00003805618134
                   +0 :               0.00004422087084
                   +1 :               0.00003066082785
                   +2 :              -0.00003676498121
              6 vec=    -7.989708     -7.607147     -4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00000716844304
                2s
                   +0 :               0.00000635072444
                3s
                   +0 :              -0.00016585635049
                2p
                   -1 :               0.00020334357523
                   +0 :               0.00052669388132
                   +1 :               0.00026325823499
                3p
                   -1 :               0.00000185867220
                   +0 :              -0.00042682783507
                   +1 :              -0.00017494370996
                3d
                   -2 :              -0.00006034662256
                   -1 :               0.00001899893059
                   +0 :               0.00007804258563
                   +1 :              -0.00000026527006
                   +2 :               0.00001819443396
              7 vec=    -0.209546    -12.099026     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00006299080270
                2s
                   +0 :              -0.00028516146282
                3s
                   +0 :               0.00023289197930
                2p
                   -1 :               0.00033159548511
                   +0 :              -0.00015986624424
                   +1 :               0.00028590475678
                3p
                   -1 :              -0.00033892190901
                   +0 :               0.00006895744579
                   +1 :              -0.00018641617562
                3d
                   -2 :              -0.00000758141976
                   -1 :               0.00000682619569
                   +0 :              -0.00000945686105
                   +1 :              -0.00002315349905
                   +2 :              -0.00000092817562
              8 vec=     7.570617     10.360369     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00004615583333
                2s
                   +0 :              -0.00001814392920
                3s
                   +0 :               0.00018788397743
                2p
                   -1 :              -0.00040197624109
                   +0 :              -0.00019896583508
                   +1 :               0.00008666806252
                3p
                   -1 :               0.00043337063385
                   +0 :               0.00001477578606
                   +1 :               0.00001840193002
                3d
                   -2 :               0.00000592418005
                   -1 :               0.00002471763342
                   +0 :               0.00002160512037
                   +1 :              -0.00000143204688
                   +2 :              -0.00002920960785
              9 vec=    -7.989708     10.360369     -4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00004033080955
                2s
                   +0 :              -0.00058482139436
                3s
                   +0 :               0.00008756108857
                2p
                   -1 :              -0.00066775618776
                   +0 :               0.00008637923586
                   +1 :               0.00012870709202
                3p
                   -1 :               0.00042799722046
                   +0 :              -0.00001175331168
                   +1 :              -0.00002328389316
                3d
                   -2 :               0.00000635678002
                   -1 :              -0.00001308857693
                   +0 :              -0.00001368753055
                   +1 :               0.00001544131760
                   +2 :              -0.00003603323265
             10 vec=    -0.209546     14.852248     -4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00002191774924
                2s
                   +0 :               0.00013443272795
                3s
                   +0 :              -0.00007749881008
                2p
                   -1 :               0.00010952204506
                   +0 :              -0.00006613473185
                   +1 :              -0.00005671010938
                3p
                   -1 :              -0.00008722799681
                   +0 :               0.00005626290843
                   +1 :               0.00000490430550
                3d
                   -2 :              -0.00000061444189
                   -1 :               0.00000921052484
                   +0 :              -0.00000013002176
                   +1 :               0.00000751846106
                   +2 :               0.00000349940072
             11 vec=    15.350780     -3.115268     -4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00001236051924
                2s
                   +0 :               0.00012122932798
                3s
                   +0 :               0.00001038718911
                2p
                   -1 :               0.00000255995093
                   +0 :               0.00003349355858
                   +1 :               0.00007501584470
                3p
                   -1 :              -0.00006109957100
                   +0 :              -0.00009584951008
                   +1 :               0.00007441798818
                3d
                   -2 :              -0.00000116286331
                   -1 :               0.00000447061607
                   +0 :              -0.00001125760885
                   +1 :              -0.00001095232083
                   +2 :               0.00000960384101
             12 vec=   -15.769871     -3.115268     -4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00001192172350
                2s
                   +0 :              -0.00013902649699
                3s
                   +0 :               0.00004695386909
                2p
                   -1 :               0.00000770871039
                   +0 :              -0.00007037175123
                   +1 :              -0.00000746424886
                3p
                   -1 :               0.00001174249228
                   +0 :               0.00007792720292
                   +1 :               0.00008861857099
                3d
                   -2 :               0.00000977306803
                   -1 :               0.00000629287165
                   +0 :               0.00000390642168
                   +1 :               0.00000893836702
                   +2 :              -0.00001796659718
             13 vec=    15.350780      5.868490     -4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00002464458757
                2s
                   +0 :               0.00014988054839
                3s
                   +0 :              -0.00005384765165
                2p
                   -1 :               0.00000124659738
                   +0 :               0.00007860151160
                   +1 :               0.00008748618491
                3p
                   -1 :               0.00002192941154
                   +0 :              -0.00006386840811
                   +1 :              -0.00002378830141
                3d
                   -2 :               0.00000102190431
                   -1 :               0.00000017321373
                   +0 :               0.00000185382930
                   +1 :               0.00000125644922
                   +2 :               0.00000545891290
             14 vec=   -15.769871      5.868490     -4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00000890433938
                2s
                   +0 :              -0.00008598612546
                3s
                   +0 :               0.00002282684664
                2p
                   -1 :              -0.00011502964250
                   +0 :               0.00004646008206
                   +1 :               0.00003058595726
                3p
                   -1 :               0.00007364729032
                   +0 :              -0.00004335456217
                   +1 :               0.00002151098688
                3d
                   -2 :               0.00000415383073
                   -1 :              -0.00000575051301
                   +0 :               0.00000342871996
                   +1 :               0.00000001609545
                   +2 :              -0.00000181080549
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 22)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00029254298826
                2s
                   +0 :              -0.00228071804120
                3s
                   +0 :               0.00028029937133
                2p
                   -1 :              -0.00188692692328
                   +0 :              -0.00247886863138
                   +1 :               0.00114444561545
                3p
                   -1 :              -0.00017382436884
                   +0 :               0.00001460821679
                   +1 :              -0.00146015537618
                3d
                   -2 :              -0.00014397196671
                   -1 :              -0.00018252931463
                   +0 :              -0.00001897036234
                   +1 :              -0.00012328148569
                   +2 :               0.00012084012024
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00006552036889
                2s
                   +0 :               0.00078215683692
                3s
                   +0 :              -0.00006402057039
                2p
                   -1 :               0.00011143607734
                   +0 :               0.00014976591713
                   +1 :               0.00041626736871
                3p
                   -1 :              -0.00026319445115
                   +0 :               0.00037492920671
                   +1 :              -0.00024158050492
                3d
                   -2 :               0.00002481832352
                   -1 :              -0.00012844614036
                   +0 :               0.00005111359906
                   +1 :               0.00004543293234
                   +2 :               0.00005986631276
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00011451839902
                2s
                   +0 :               0.00150397895637
                3s
                   +0 :              -0.00012645614819
                2p
                   -1 :              -0.00111192157933
                   +0 :               0.00177759419630
                   +1 :              -0.00045024875513
                3p
                   -1 :              -0.00038800712125
                   +0 :              -0.00036547927734
                   +1 :               0.00079777120814
                3d
                   -2 :              -0.00006497641077
                   -1 :              -0.00010675688924
                   +0 :              -0.00002202722243
                   +1 :               0.00012843868963
                   +2 :              -0.00006456689066
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001080905562
                2s
                   +0 :              -0.00042596997226
                3s
                   +0 :              -0.00001629382095
                2p
                   -1 :               0.00043577330309
                   +0 :              -0.00052009603615
                   +1 :               0.00064598407106
                3p
                   -1 :              -0.00021559389960
                   +0 :               0.00034056921147
                   +1 :              -0.00029583353011
                3d
                   -2 :               0.00002602261915
                   -1 :               0.00001289600520
                   +0 :               0.00005649639310
                   +1 :              -0.00002075053317
                   +2 :               0.00000313565583
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000341711883
                2s
                   +0 :               0.00010709486939
                3s
                   +0 :               0.00005890529429
                2p
                   -1 :               0.00000194376777
                   +0 :              -0.00014814082570
                   +1 :              -0.00020266420140
                3p
                   -1 :               0.00011105086655
                   +0 :               0.00017019020871
                   +1 :               0.00013751369986
                3d
                   -2 :               0.00002688274566
                   -1 :               0.00000269779064
                   +0 :              -0.00000076840722
                   +1 :              -0.00001170529260
                   +2 :              -0.00002004218005
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00005849682008
                2s
                   +0 :              -0.00014384849616
                3s
                   +0 :               0.00003567493879
                2p
                   -1 :               0.00035931052860
                   +0 :              -0.00002288428006
                   +1 :               0.00064407555416
                3p
                   -1 :              -0.00026140561993
                   +0 :               0.00024723531489
                   +1 :              -0.00063954901170
                3d
                   -2 :               0.00003729762654
                   -1 :               0.00003162833749
                   +0 :               0.00002772187979
                   +1 :               0.00001875899088
                   +2 :               0.00000511704955
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000404482416
                2s
                   +0 :               0.00000868168728
                3s
                   +0 :              -0.00003452896079
                2p
                   -1 :              -0.00004979144102
                   +0 :              -0.00005230829393
                   +1 :               0.00007789039204
                3p
                   -1 :               0.00001470040286
                   +0 :               0.00002025802157
                   +1 :              -0.00001899554925
                3d
                   -2 :               0.00000414039463
                   -1 :              -0.00000107162692
                   +0 :               0.00000875530462
                   +1 :              -0.00000122368795
                   +2 :              -0.00000157165055
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000164281991
                2s
                   +0 :               0.00000979977023
                3s
                   +0 :               0.00001912749719
                2p
                   -1 :              -0.00006100202435
                   +0 :               0.00005638286667
                   +1 :              -0.00009154489062
                3p
                   -1 :               0.00007421613714
                   +0 :              -0.00005177759839
                   +1 :               0.00002680251749
                3d
                   -2 :              -0.00000747639630
                   -1 :              -0.00000029936753
                   +0 :              -0.00000629630326
                   +1 :               0.00000704147575
                   +2 :              -0.00000137153271
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002948273802
                2s
                   +0 :              -0.00019980563523
                3s
                   +0 :               0.00009323354253
                2p
                   -1 :               0.00014064546885
                   +0 :              -0.00013571276520
                   +1 :               0.00025518315484
                3p
                   -1 :              -0.00003804216065
                   +0 :               0.00008352591175
                   +1 :              -0.00017355662449
                3d
                   -2 :               0.00001610622344
                   -1 :               0.00000203571542
                   +0 :              -0.00000518915281
                   +1 :              -0.00001238609103
                   +2 :              -0.00001787696612
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00000923940637
                2s
                   +0 :              -0.00009362874605
                3s
                   +0 :               0.00003551882842
                2p
                   -1 :              -0.00001118041979
                   +0 :              -0.00008635020114
                   +1 :              -0.00020371406716
                3p
                   -1 :               0.00001999142513
                   +0 :               0.00005780484281
                   +1 :               0.00011221941881
                3d
                   -2 :              -0.00001166409452
                   -1 :              -0.00001410202308
                   +0 :               0.00000836140022
                   +1 :               0.00000301123027
                   +2 :               0.00000193710820
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000672695734
                2s
                   +0 :               0.00011371044771
                3s
                   +0 :               0.00000573448312
                2p
                   -1 :               0.00003708184154
                   +0 :               0.00010562074569
                   +1 :               0.00009304017397
                3p
                   -1 :               0.00001675043050
                   +0 :              -0.00001606568931
                   +1 :              -0.00001949815468
                3d
                   -2 :               0.00000299108943
                   -1 :               0.00001103900184
                   +0 :               0.00000150682811
                   +1 :               0.00000291308899
                   +2 :              -0.00000005282535
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00001969112719
                2s
                   +0 :               0.00017384845864
                3s
                   +0 :              -0.00004256090356
                2p
                   -1 :              -0.00013663499802
                   +0 :               0.00024705361918
                   +1 :               0.00011995826145
                3p
                   -1 :               0.00008896069788
                   +0 :              -0.00016247612164
                   +1 :              -0.00001275343592
                3d
                   -2 :              -0.00000170804200
                   -1 :               0.00002182329560
                   +0 :              -0.00001635808912
                   +1 :               0.00001730189149
                   +2 :               0.00000942165189
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000700854990
                2s
                   +0 :              -0.00001378863631
                3s
                   +0 :               0.00002800522454
                2p
                   -1 :              -0.00010698363871
                   +0 :               0.00001324816854
                   +1 :              -0.00001710551931
                3p
                   -1 :               0.00007739042698
                   +0 :              -0.00004511481181
                   +1 :              -0.00000816243566
                3d
                   -2 :              -0.00000319437089
                   -1 :              -0.00000206058708
                   +0 :               0.00000008663926
                   +1 :               0.00000317370594
                   +2 :              -0.00000156652061
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001575098158
                2s
                   +0 :              -0.00010550823664
                3s
                   +0 :               0.00003518675703
                2p
                   -1 :              -0.00000181791598
                   +0 :               0.00005441090981
                   +1 :               0.00002382417170
                3p
                   -1 :               0.00001419642815
                   +0 :              -0.00001114975453
                   +1 :              -0.00001989658521
                3d
                   -2 :              -0.00000394009562
                   -1 :              -0.00000238106190
                   +0 :              -0.00000056239018
                   +1 :               0.00000126636509
                   +2 :               0.00000803823211
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001062226882
                2s
                   +0 :              -0.00005829158763
                3s
                   +0 :               0.00004987135048
                2p
                   -1 :              -0.00004944045532
                   +0 :               0.00004540529727
                   +1 :               0.00004250340312
                3p
                   -1 :               0.00004832716158
                   +0 :              -0.00004570054738
                   +1 :              -0.00002638028969
                3d
                   -2 :               0.00000146536478
                   -1 :              -0.00000647244965
                   +0 :               0.00000201616115
                   +1 :              -0.00000540816486
                   +2 :               0.00000516965408
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 23)  npairs=  15
              1 vec=     2.174037      4.491729      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00039387730837
                2s
                   +0 :               0.00315984713036
                3s
                   +0 :              -0.00093392522524
                2p
                   -1 :               0.00229694411785
                   +0 :               0.00407468641815
                   +1 :              -0.00157816949770
                3p
                   -1 :               0.00016172935768
                   +0 :              -0.00101203100718
                   +1 :               0.00045678320378
                3d
                   -2 :              -0.00007186766736
                   -1 :               0.00006012493232
                   +0 :              -0.00001139087087
                   +1 :              -0.00003638671393
                   +2 :              -0.00004346159465
              2 vec=     2.174037     -4.492029      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00004456957022
                2s
                   +0 :              -0.00016762767994
                3s
                   +0 :              -0.00023364406680
                2p
                   -1 :               0.00037741393826
                   +0 :              -0.00016262047949
                   +1 :              -0.00408972234804
                3p
                   -1 :               0.00049300806357
                   +0 :              -0.00097850346474
                   +1 :               0.00280713396090
                3d
                   -2 :               0.00005560125004
                   -1 :               0.00008678560414
                   +0 :              -0.00000892548054
                   +1 :               0.00018580390371
                   +2 :              -0.00000125860986
              3 vec=    -5.606126     -0.000150      8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00021155695772
                2s
                   +0 :              -0.00168752502645
                3s
                   +0 :               0.00023399777332
                2p
                   -1 :               0.00165002663384
                   +0 :              -0.00066001096309
                   +1 :               0.00212192209222
                3p
                   -1 :              -0.00072210082157
                   +0 :              -0.00086728101662
                   +1 :              -0.00091318606336
                3d
                   -2 :              -0.00011053890604
                   -1 :               0.00013005389945
                   +0 :              -0.00000350651544
                   +1 :              -0.00005946091082
                   +2 :               0.00003973374716
              4 vec=     9.954199     -0.000150      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00011011792475
                2s
                   +0 :               0.00100782286814
                3s
                   +0 :              -0.00038540567402
                2p
                   -1 :               0.00006095822277
                   +0 :               0.00034359169100
                   +1 :               0.00057947399859
                3p
                   -1 :              -0.00009862123941
                   +0 :              -0.00020328476793
                   +1 :              -0.00041137980338
                3d
                   -2 :               0.00000241517570
                   -1 :              -0.00000928205018
                   +0 :               0.00002003075287
                   +1 :              -0.00004948765476
                   +2 :              -0.00003688991890
              5 vec=    -5.606126      8.983608      8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00001816402176
                2s
                   +0 :              -0.00036449618122
                3s
                   +0 :               0.00003070900662
                2p
                   -1 :              -0.00016073673751
                   +0 :              -0.00023836932220
                   +1 :               0.00025184759259
                3p
                   -1 :              -0.00014581102756
                   +0 :               0.00012250482258
                   +1 :              -0.00017730284792
                3d
                   -2 :               0.00002118987481
                   -1 :               0.00000040823916
                   +0 :              -0.00000056080688
                   +1 :              -0.00000638324330
                   +2 :               0.00000997617319
              6 vec=    -5.606126     -8.983908      8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00002962499102
                2s
                   +0 :              -0.00027489207716
                3s
                   +0 :               0.00004710244385
                2p
                   -1 :              -0.00017336637767
                   +0 :              -0.00023860848991
                   +1 :               0.00019387235391
                3p
                   -1 :               0.00022415597906
                   +0 :               0.00011862267268
                   +1 :              -0.00012482465518
                3d
                   -2 :               0.00000322207402
                   -1 :               0.00000457480611
                   +0 :               0.00001467784171
                   +1 :              -0.00004130068454
                   +2 :              -0.00000737086304
              7 vec=     9.954199      8.983608      8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00002848867028
                2s
                   +0 :               0.00021542272642
                3s
                   +0 :              -0.00008726715200
                2p
                   -1 :               0.00023930392752
                   +0 :               0.00019349052305
                   +1 :               0.00020555478749
                3p
                   -1 :              -0.00009996784842
                   +0 :              -0.00014664167207
                   +1 :              -0.00012415221950
                3d
                   -2 :              -0.00000269413587
                   -1 :              -0.00000785461331
                   +0 :              -0.00000854029976
                   +1 :              -0.00000640734401
                   +2 :              -0.00000710125488
              8 vec=     9.954199     -8.983908      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00001976905093
                2s
                   +0 :              -0.00005817398633
                3s
                   +0 :               0.00007216829164
                2p
                   -1 :              -0.00005673430871
                   +0 :               0.00004962814468
                   +1 :              -0.00014262745463
                3p
                   -1 :              -0.00002729934714
                   +0 :               0.00000966796694
                   +1 :               0.00016129019973
                3d
                   -2 :               0.00000498216608
                   -1 :              -0.00001586994553
                   +0 :               0.00001891425250
                   +1 :              -0.00000057757133
                   +2 :              -0.00000634505415
              9 vec=     2.174037     13.475487      8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00001579024640
                2s
                   +0 :              -0.00012177585221
                3s
                   +0 :               0.00004998196128
                2p
                   -1 :              -0.00008665079902
                   +0 :               0.00001394677943
                   +1 :              -0.00003445421860
                3p
                   -1 :               0.00002650002250
                   +0 :               0.00002169838496
                   +1 :               0.00002299866332
                3d
                   -2 :               0.00000726351442
                   -1 :               0.00000253396716
                   +0 :               0.00000142912775
                   +1 :              -0.00000496386860
                   +2 :               0.00000434154088
             10 vec=     2.174037    -13.475787      8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00002388033535
                2s
                   +0 :               0.00018163636556
                3s
                   +0 :              -0.00006969293646
                2p
                   -1 :              -0.00001838401512
                   +0 :               0.00009437272698
                   +1 :              -0.00000489754738
                3p
                   -1 :              -0.00001424795801
                   +0 :              -0.00002046735069
                   +1 :              -0.00002398796592
                3d
                   -2 :              -0.00000308170585
                   -1 :              -0.00000347589284
                   +0 :               0.00000070235638
                   +1 :               0.00000343949768
                   +2 :               0.00000158181196
             11 vec=   -13.386289      4.491729      8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00002930735918
                2s
                   +0 :              -0.00021656393567
                3s
                   +0 :               0.00008325470695
                2p
                   -1 :              -0.00005780934648
                   +0 :              -0.00012963327643
                   +1 :               0.00029679795536
                3p
                   -1 :              -0.00002196793645
                   +0 :               0.00003249940622
                   +1 :              -0.00017762761599
                3d
                   -2 :              -0.00000078756091
                   -1 :              -0.00000145493874
                   +0 :              -0.00000986613516
                   +1 :              -0.00001072150630
                   +2 :               0.00000763095760
             12 vec=   -13.386289     -4.492029      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00003190173060
                2s
                   +0 :               0.00012574781507
                3s
                   +0 :              -0.00012310506895
                2p
                   -1 :               0.00027679537551
                   +0 :               0.00016535154951
                   +1 :              -0.00001898126161
                3p
                   -1 :              -0.00019054543341
                   +0 :              -0.00018616281830
                   +1 :               0.00008052447750
                3d
                   -2 :               0.00000611754633
                   -1 :              -0.00000181651636
                   +0 :              -0.00000689903120
                   +1 :               0.00000866024013
                   +2 :              -0.00000444512311
             13 vec=     2.174037      4.491729    -16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00000681240319
                2s
                   +0 :               0.00003372624426
                3s
                   +0 :              -0.00002686704847
                2p
                   -1 :              -0.00001372317033
                   +0 :              -0.00003449364595
                   +1 :              -0.00000607010396
                3p
                   -1 :               0.00000399574479
                   +0 :               0.00004475440552
                   +1 :              -0.00000265391937
                3d
                   -2 :               0.00000119587746
                   -1 :              -0.00000002937069
                   +0 :              -0.00001037764297
                   +1 :               0.00000270300189
                   +2 :               0.00000215981025
             14 vec=     2.174037     -4.492029    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00000849830492
                2s
                   +0 :              -0.00005323568671
                3s
                   +0 :               0.00002373465725
                2p
                   -1 :               0.00002340748256
                   +0 :               0.00005538843028
                   +1 :              -0.00008521763662
                3p
                   -1 :              -0.00001163040738
                   +0 :              -0.00004945694058
                   +1 :               0.00006787567460
                3d
                   -2 :              -0.00000257534087
                   -1 :              -0.00000460382850
                   +0 :              -0.00000094678372
                   +1 :              -0.00000625449948
                   +2 :               0.00000656493419
             15 vec=    -5.606126     -0.000150    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000759305988
                2s
                   +0 :              -0.00003249969215
                3s
                   +0 :               0.00001170207452
                2p
                   -1 :              -0.00001847955450
                   +0 :              -0.00000357978166
                   +1 :              -0.00001132571392
                3p
                   -1 :              -0.00000718554716
                   +0 :               0.00001112134426
                   +1 :               0.00000244184662
                3d
                   -2 :               0.00000762524497
                   -1 :               0.00000306966116
                   +0 :              -0.00000326273430
                   +1 :              -0.00000109023751
                   +2 :              -0.00000137016566
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 24)  npairs=  14
              1 vec=    -0.209546      0.363243      8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00029094218320
                2s
                   +0 :              -0.00148437669471
                3s
                   +0 :               0.00048789627596
                2p
                   -1 :              -0.00018069474567
                   +0 :              -0.00229661301856
                   +1 :              -0.00428573619719
                3p
                   -1 :               0.00023506854891
                   +0 :               0.00098573850452
                   +1 :               0.00223729595372
                3d
                   -2 :               0.00012375880241
                   -1 :               0.00001402340809
                   +0 :              -0.00008941160649
                   +1 :               0.00007608291423
                   +2 :              -0.00003596736998
              2 vec=    -0.209546     -8.620515      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00005111585112
                2s
                   +0 :              -0.00037374077703
                3s
                   +0 :               0.00023958250493
                2p
                   -1 :               0.00039616435963
                   +0 :              -0.00020714600053
                   +1 :               0.00005357249882
                3p
                   -1 :              -0.00032025962480
                   +0 :               0.00016383312663
                   +1 :              -0.00043114395806
                3d
                   -2 :               0.00005231679162
                   -1 :              -0.00002357757627
                   +0 :              -0.00002090673865
                   +1 :              -0.00003434266633
                   +2 :              -0.00000233452428
              3 vec=     7.570617     -4.128636      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00011135927632
                2s
                   +0 :              -0.00065616436184
                3s
                   +0 :               0.00033566722517
                2p
                   -1 :              -0.00123520674696
                   +0 :              -0.00026910850607
                   +1 :               0.00138379999665
                3p
                   -1 :               0.00088695098319
                   +0 :               0.00012976168320
                   +1 :              -0.00123780102156
                3d
                   -2 :               0.00000892471027
                   -1 :              -0.00004288955840
                   +0 :               0.00000955601218
                   +1 :              -0.00005618855401
                   +2 :              -0.00007993809278
              4 vec=    -7.989708     -4.128636      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00022770573555
                2s
                   +0 :               0.00111742763876
                3s
                   +0 :              -0.00083865284493
                2p
                   -1 :              -0.00162052804757
                   +0 :               0.00074114468804
                   +1 :               0.00011137437361
                3p
                   -1 :               0.00159211658844
                   +0 :              -0.00063895766893
                   +1 :               0.00000856485598
                3d
                   -2 :              -0.00011922661070
                   -1 :               0.00016726167385
                   +0 :              -0.00008863791748
                   +1 :               0.00008528507511
                   +2 :               0.00006574109674
              5 vec=     7.570617      4.855122      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00010861668053
                2s
                   +0 :               0.00110696698038
                3s
                   +0 :              -0.00020689644161
                2p
                   -1 :               0.00076543085521
                   +0 :               0.00059160845188
                   +1 :               0.00085302293515
                3p
                   -1 :              -0.00022844392296
                   +0 :              -0.00014810610406
                   +1 :              -0.00052064377735
                3d
                   -2 :              -0.00000613507816
                   -1 :              -0.00001053325066
                   +0 :               0.00002738784543
                   +1 :              -0.00002073016719
                   +2 :              -0.00000898601340
              6 vec=    -7.989708      4.855122      8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00002896830888
                2s
                   +0 :              -0.00057989631376
                3s
                   +0 :               0.00001512637591
                2p
                   -1 :              -0.00042474981120
                   +0 :              -0.00031917364356
                   +1 :               0.00004195167422
                3p
                   -1 :               0.00013500868913
                   +0 :              -0.00003562894052
                   +1 :               0.00011704444177
                3d
                   -2 :              -0.00001168936269
                   -1 :               0.00001195306392
                   +0 :              -0.00002196724101
                   +1 :               0.00002659043875
                   +2 :              -0.00000760481838
              7 vec=    -0.209546      9.347001      8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00005176482508
                2s
                   +0 :              -0.00028447257002
                3s
                   +0 :               0.00018940606272
                2p
                   -1 :               0.00015353515528
                   +0 :              -0.00011140829186
                   +1 :              -0.00056642301755
                3p
                   -1 :              -0.00010219984561
                   +0 :               0.00012708595913
                   +1 :               0.00027094196453
                3d
                   -2 :              -0.00002199486292
                   -1 :              -0.00000612594672
                   +0 :              -0.00000071938200
                   +1 :               0.00001735654528
                   +2 :               0.00000879211095
              8 vec=    -0.209546      0.363243    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001161176089
                2s
                   +0 :              -0.00005779580651
                3s
                   +0 :               0.00002970943277
                2p
                   -1 :               0.00003821340410
                   +0 :              -0.00000603577695
                   +1 :              -0.00004317955346
                3p
                   -1 :              -0.00003246771748
                   +0 :               0.00001168080987
                   +1 :               0.00002413699343
                3d
                   -2 :              -0.00000545626421
                   -1 :               0.00000292570882
                   +0 :              -0.00000239337012
                   +1 :              -0.00000275716909
                   +2 :              -0.00000888563888
              9 vec=     7.570617    -13.112394      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00001664941406
                2s
                   +0 :              -0.00011431378171
                3s
                   +0 :               0.00009247293141
                2p
                   -1 :               0.00006615143971
                   +0 :               0.00003182092740
                   +1 :               0.00003526936438
                3p
                   -1 :              -0.00008782377407
                   +0 :               0.00000167002923
                   +1 :              -0.00000962878353
                3d
                   -2 :               0.00000531417860
                   -1 :               0.00000098791640
                   +0 :              -0.00000439916226
                   +1 :              -0.00000431086547
                   +2 :              -0.00000814655298
             10 vec=    -7.989708    -13.112394      8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00000888155861
                2s
                   +0 :              -0.00004607884914
                3s
                   +0 :               0.00001436752451
                2p
                   -1 :               0.00014289131691
                   +0 :              -0.00000783302281
                   +1 :              -0.00010897049569
                3p
                   -1 :              -0.00008939414219
                   +0 :              -0.00000709943569
                   +1 :               0.00009203155945
                3d
                   -2 :              -0.00000887747146
                   -1 :               0.00000397746391
                   +0 :               0.00000304674607
                   +1 :               0.00000953327510
                   +2 :              -0.00000869330184
             11 vec=    15.350780      0.363243      8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00001236460232
                2s
                   +0 :              -0.00004130294661
                3s
                   +0 :               0.00004404794999
                2p
                   -1 :              -0.00010133840845
                   +0 :               0.00011924098567
                   +1 :               0.00006061062398
                3p
                   -1 :               0.00004327649628
                   +0 :               0.00000114763973
                   +1 :               0.00007011587500
                3d
                   -2 :               0.00000112374816
                   -1 :              -0.00000453014918
                   +0 :              -0.00000278058032
                   +1 :              -0.00000002081046
                   +2 :               0.00000583009241
             12 vec=   -15.769871      0.363243      8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000022458543
                2s
                   +0 :              -0.00001021438912
                3s
                   +0 :              -0.00003120866918
                2p
                   -1 :              -0.00005539494057
                   +0 :               0.00005635802144
                   +1 :              -0.00002918142689
                3p
                   -1 :               0.00005204309844
                   +0 :              -0.00007085214153
                   +1 :               0.00008063492522
                3d
                   -2 :              -0.00000476556636
                   -1 :               0.00000493832298
                   +0 :              -0.00000863052591
                   +1 :               0.00000587519220
                   +2 :              -0.00000817426494
             13 vec=     7.570617     13.838880      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00002695888320
                2s
                   +0 :               0.00021134513060
                3s
                   +0 :              -0.00005615215481
                2p
                   -1 :               0.00011007596612
                   +0 :               0.00005283284234
                   +1 :               0.00004796262035
                3p
                   -1 :              -0.00001084516045
                   +0 :              -0.00000656847068
                   +1 :              -0.00005002776824
                3d
                   -2 :              -0.00000140068017
                   -1 :              -0.00000168068516
                   +0 :               0.00000233797269
                   +1 :              -0.00000282705893
                   +2 :               0.00000128957437
             14 vec=    -7.989708     13.838880      8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00001138653063
                2s
                   +0 :              -0.00010101136440
                3s
                   +0 :               0.00002411814522
                2p
                   -1 :              -0.00007791040114
                   +0 :              -0.00005571894443
                   +1 :              -0.00000971195504
                3p
                   -1 :               0.00000837363635
                   +0 :               0.00003875615284
                   +1 :               0.00001968718057
                3d
                   -2 :               0.00000554588099
                   -1 :               0.00000466328536
                   +0 :               0.00000131913167
                   +1 :              -0.00000156590850
                   +2 :              -0.00000000354015
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 25)  npairs=  14
              1 vec=    -0.419351     -2.752474      4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00072226472729
                2s
                   +0 :              -0.01082785335155
                3s
                   +0 :               0.00202749236689
                2p
                   -1 :               0.00422473430897
                   +0 :              -0.00468378319657
                   +1 :              -0.00722605897702
                3p
                   -1 :              -0.00375888187193
                   +0 :              -0.00169059993999
                   +1 :              -0.00402996463565
                3d
                   -2 :               0.00125712744167
                   -1 :               0.00036121502145
                   +0 :              -0.00107377446269
                   +1 :              -0.00167084143883
                   +2 :               0.00015576086848
              2 vec=    -0.419351      6.231284      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00021881646395
                2s
                   +0 :               0.00138402429000
                3s
                   +0 :              -0.00082660857954
                2p
                   -1 :               0.00009182168618
                   +0 :               0.00089754286692
                   +1 :              -0.00115080841192
                3p
                   -1 :              -0.00007712696721
                   +0 :              -0.00073074240136
                   +1 :               0.00051668764417
                3d
                   -2 :               0.00006123975517
                   -1 :               0.00003821825641
                   +0 :               0.00003639994030
                   +1 :              -0.00002703811973
                   +2 :               0.00002030833715
              3 vec=     7.360812      1.739405      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00046311566917
                2s
                   +0 :               0.00202348475569
                3s
                   +0 :              -0.00080151313490
                2p
                   -1 :               0.00107510938392
                   +0 :              -0.00011274014197
                   +1 :               0.00223718928669
                3p
                   -1 :              -0.00048049402462
                   +0 :               0.00158501298245
                   +1 :              -0.00125636040538
                3d
                   -2 :              -0.00010789650060
                   -1 :               0.00007366893145
                   +0 :               0.00028553108306
                   +1 :              -0.00011035979869
                   +2 :              -0.00012165212797
              4 vec=    -8.199513      1.739405      4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00071964918055
                2s
                   +0 :              -0.00431531186241
                3s
                   +0 :               0.00159899026249
                2p
                   -1 :              -0.00114590828322
                   +0 :              -0.00205013049871
                   +1 :               0.00133618901627
                3p
                   -1 :               0.00063047308338
                   +0 :               0.00020913739174
                   +1 :              -0.00037623901167
                3d
                   -2 :              -0.00012144767932
                   -1 :              -0.00012060737299
                   +0 :              -0.00017125370977
                   +1 :              -0.00009809891509
                   +2 :               0.00011541486822
              5 vec=     7.360812     -7.244353      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00004298114423
                2s
                   +0 :               0.00026548875282
                3s
                   +0 :               0.00001459244238
                2p
                   -1 :              -0.00179093172015
                   +0 :               0.00067205703567
                   +1 :               0.00073823380240
                3p
                   -1 :               0.00134984602440
                   +0 :              -0.00028236085716
                   +1 :              -0.00056662619725
                3d
                   -2 :               0.00014615414904
                   -1 :              -0.00003432050381
                   +0 :               0.00020649242375
                   +1 :               0.00000782800700
                   +2 :               0.00001260529126
              6 vec=    -8.199513     -7.244353      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00001125971988
                2s
                   +0 :              -0.00012516960903
                3s
                   +0 :              -0.00007165891645
                2p
                   -1 :               0.00029581188349
                   +0 :               0.00020636134811
                   +1 :              -0.00021436136122
                3p
                   -1 :              -0.00014150401134
                   +0 :              -0.00019641374863
                   +1 :               0.00036987565445
                3d
                   -2 :              -0.00013972011845
                   -1 :               0.00007955273781
                   +0 :               0.00007664113563
                   +1 :              -0.00003095339213
                   +2 :               0.00001102821467
              7 vec=    -0.419351    -11.736232      4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00002362191103
                2s
                   +0 :              -0.00008982231956
                3s
                   +0 :               0.00014598654976
                2p
                   -1 :               0.00051057659967
                   +0 :               0.00026945152384
                   +1 :              -0.00038301524082
                3p
                   -1 :              -0.00048289048618
                   +0 :               0.00002014909424
                   +1 :               0.00041949068849
                3d
                   -2 :              -0.00004392260561
                   -1 :              -0.00002320208398
                   +0 :              -0.00001852206607
                   +1 :              -0.00000494307315
                   +2 :              -0.00000450653761
              8 vec=     7.360812     10.723163      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00002851168254
                2s
                   +0 :               0.00045593002279
                3s
                   +0 :               0.00002737102635
                2p
                   -1 :               0.00023684827159
                   +0 :              -0.00000245680963
                   +1 :               0.00004455139223
                3p
                   -1 :               0.00004265441999
                   +0 :               0.00021466480456
                   +1 :               0.00009000703881
                3d
                   -2 :               0.00002642968661
                   -1 :               0.00002112044608
                   +0 :              -0.00001154571871
                   +1 :               0.00000077502233
                   +2 :              -0.00002263161147
              9 vec=    -8.199513     10.723163      4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00006721412603
                2s
                   +0 :              -0.00059095492293
                3s
                   +0 :               0.00014456517598
                2p
                   -1 :              -0.00005907427475
                   +0 :              -0.00005692735458
                   +1 :               0.00011918938826
                3p
                   -1 :              -0.00007843634446
                   +0 :              -0.00005593544375
                   +1 :               0.00001015859462
                3d
                   -2 :               0.00000271621219
                   -1 :              -0.00000590685532
                   +0 :              -0.00000171282777
                   +1 :              -0.00000225357625
                   +2 :               0.00001062155790
             10 vec=    -0.419351     15.215042      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000588891514
                2s
                   +0 :              -0.00003819358149
                3s
                   +0 :               0.00002316984096
                2p
                   -1 :               0.00003613723284
                   +0 :              -0.00009558325430
                   +1 :              -0.00005194923204
                3p
                   -1 :              -0.00001418347130
                   +0 :               0.00008057990224
                   +1 :               0.00000786225188
                3d
                   -2 :              -0.00000362489859
                   -1 :              -0.00000088047816
                   +0 :               0.00000066763713
                   +1 :               0.00000366715145
                   +2 :               0.00000590966902
             11 vec=    15.140975     -2.752474      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00008850259053
                2s
                   +0 :               0.00061284211442
                3s
                   +0 :              -0.00026625121641
                2p
                   -1 :              -0.00021551790548
                   +0 :               0.00012488726108
                   +1 :               0.00046232974240
                3p
                   -1 :               0.00017856071631
                   +0 :              -0.00008551011835
                   +1 :              -0.00023814881074
                3d
                   -2 :               0.00001484757967
                   -1 :               0.00000613311194
                   +0 :              -0.00001588933935
                   +1 :              -0.00000192035242
                   +2 :               0.00000050506333
             12 vec=   -15.979676     -2.752474      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00001692768426
                2s
                   +0 :              -0.00013428503586
                3s
                   +0 :               0.00004876023836
                2p
                   -1 :              -0.00011544457154
                   +0 :              -0.00008527977064
                   +1 :               0.00042433117937
                3p
                   -1 :               0.00012713457344
                   +0 :               0.00005131439332
                   +1 :              -0.00034423102358
                3d
                   -2 :              -0.00000092541371
                   -1 :               0.00000990097974
                   +0 :              -0.00000813713241
                   +1 :              -0.00001101410063
                   +2 :               0.00002225908279
             13 vec=    15.140975      6.231284      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00002905352794
                2s
                   +0 :               0.00021014989780
                3s
                   +0 :              -0.00007742230921
                2p
                   -1 :              -0.00008820745157
                   +0 :               0.00006369642365
                   +1 :               0.00015816287933
                3p
                   -1 :               0.00009314442654
                   +0 :              -0.00003424662402
                   +1 :              -0.00005945463952
                3d
                   -2 :               0.00000663931576
                   -1 :              -0.00000328291384
                   +0 :              -0.00000049416311
                   +1 :              -0.00000420044155
                   +2 :              -0.00001100775098
             14 vec=   -15.979676      6.231284      4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00000772714758
                2s
                   +0 :              -0.00004676931329
                3s
                   +0 :               0.00000664576535
                2p
                   -1 :               0.00001631388148
                   +0 :               0.00000545615161
                   +1 :              -0.00000880280924
                3p
                   -1 :              -0.00004559093522
                   +0 :              -0.00002194014726
                   +1 :               0.00003527967526
                3d
                   -2 :               0.00000693893367
                   -1 :              -0.00000363903335
                   +0 :               0.00000409404599
                   +1 :              -0.00000077588274
                   +2 :               0.00000711558754
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 26)  npairs=  14
              1 vec=     2.593647      1.739405      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00035301620033
                2s
                   +0 :               0.02998696507406
                3s
                   +0 :               0.00064805786262
                2p
                   -1 :               0.00294667684179
                   +0 :               0.01960890600782
                   +1 :               0.00499966605436
                3p
                   -1 :               0.00683656548021
                   +0 :              -0.00009681974693
                   +1 :               0.00288198723001
                3d
                   -2 :               0.00071354594746
                   -1 :               0.00107535801020
                   +0 :               0.00076987366546
                   +1 :               0.00166967645372
                   +2 :              -0.00020555319232
              2 vec=    -5.186516     -2.752474      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00123963603510
                2s
                   +0 :              -0.01097427480457
                3s
                   +0 :               0.00529321388599
                2p
                   -1 :               0.00616508685137
                   +0 :              -0.01163280824097
                   +1 :               0.01394661392956
                3p
                   -1 :              -0.00367696293478
                   +0 :               0.00772006005915
                   +1 :              -0.01129802994297
                3d
                   -2 :               0.00060342451661
                   -1 :              -0.00050876869034
                   +0 :               0.00040449853454
                   +1 :              -0.00105571860141
                   +2 :               0.00048778076337
              3 vec=     2.593647     -7.244353      4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00026525892683
                2s
                   +0 :               0.00156706634912
                3s
                   +0 :              -0.00071547220834
                2p
                   -1 :              -0.00063002788357
                   +0 :               0.00203461043840
                   +1 :              -0.00235369095175
                3p
                   -1 :               0.00022460862290
                   +0 :               0.00004244335281
                   +1 :               0.00141743313165
                3d
                   -2 :              -0.00010687686281
                   -1 :              -0.00012031697504
                   +0 :               0.00017437405463
                   +1 :              -0.00010324170430
                   +2 :              -0.00003523652421
              4 vec=    -5.186516      6.231284      4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00006708255387
                2s
                   +0 :               0.00057855358755
                3s
                   +0 :              -0.00049019613126
                2p
                   -1 :               0.00046821841647
                   +0 :              -0.00080517034584
                   +1 :               0.00182553557485
                3p
                   -1 :              -0.00084669176778
                   +0 :              -0.00006603931125
                   +1 :              -0.00132937880211
                3d
                   -2 :              -0.00003217357065
                   -1 :               0.00004818329490
                   +0 :              -0.00005425770013
                   +1 :              -0.00003850786809
                   +2 :              -0.00000768634656
              5 vec=    10.373810     -2.752474      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00017516827033
                2s
                   +0 :              -0.00068113009772
                3s
                   +0 :               0.00077873860254
                2p
                   -1 :              -0.00060227967172
                   +0 :               0.00023666352417
                   +1 :              -0.00112756930772
                3p
                   -1 :               0.00026435700084
                   +0 :               0.00027274732531
                   +1 :               0.00155026916876
                3d
                   -2 :              -0.00000578726217
                   -1 :              -0.00005184717031
                   +0 :              -0.00003271749195
                   +1 :              -0.00000329944442
                   +2 :               0.00009498660062
              6 vec=     2.593647     10.723163      4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00002773259845
                2s
                   +0 :               0.00031521695544
                3s
                   +0 :              -0.00011658702987
                2p
                   -1 :               0.00047554161774
                   +0 :               0.00008055512632
                   +1 :               0.00013625144571
                3p
                   -1 :              -0.00033992804058
                   +0 :              -0.00006126590165
                   +1 :              -0.00027185748075
                3d
                   -2 :              -0.00002068047255
                   -1 :              -0.00001104804054
                   +0 :               0.00000504841970
                   +1 :              -0.00001194546802
                   +2 :               0.00001588974771
              7 vec=    10.373810      6.231284      4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00002718587233
                2s
                   +0 :               0.00019911541172
                3s
                   +0 :               0.00015708195606
                2p
                   -1 :              -0.00057932126062
                   +0 :               0.00001322925195
                   +1 :              -0.00038799454675
                3p
                   -1 :               0.00048462618458
                   +0 :               0.00013007952085
                   +1 :               0.00049215949813
                3d
                   -2 :               0.00000907093975
                   -1 :              -0.00000658937901
                   +0 :              -0.00000760354047
                   +1 :               0.00002635611528
                   +2 :               0.00002150295550
              8 vec=    -5.186516    -11.736232      4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00007529444367
                2s
                   +0 :              -0.00056043520686
                3s
                   +0 :               0.00013493860174
                2p
                   -1 :              -0.00006094201046
                   +0 :               0.00018167430546
                   +1 :               0.00048744039517
                3p
                   -1 :               0.00008211750696
                   +0 :              -0.00032193268896
                   +1 :              -0.00052177605072
                3d
                   -2 :               0.00004519214055
                   -1 :               0.00005039392825
                   +0 :              -0.00001790914639
                   +1 :               0.00000967332586
                   +2 :               0.00004980959475
              9 vec=   -12.966678      1.739405      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00010368224213
                2s
                   +0 :               0.00018042448613
                3s
                   +0 :              -0.00036060424073
                2p
                   -1 :               0.00009005956384
                   +0 :               0.00007100986724
                   +1 :               0.00079918399619
                3p
                   -1 :              -0.00011602594614
                   +0 :              -0.00011755109427
                   +1 :              -0.00060352455582
                3d
                   -2 :               0.00000688898823
                   -1 :               0.00001498715328
                   +0 :              -0.00002317315692
                   +1 :              -0.00003274204283
                   +2 :               0.00001905903570
             10 vec=   -12.966678     -7.244353      4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00002712202024
                2s
                   +0 :               0.00013704711599
                3s
                   +0 :              -0.00017351231151
                2p
                   -1 :              -0.00018359730734
                   +0 :              -0.00008859973301
                   +1 :              -0.00008023439000
                3p
                   -1 :               0.00020997752254
                   +0 :               0.00002962626238
                   +1 :               0.00012090452940
                3d
                   -2 :              -0.00001679213900
                   -1 :               0.00000796906394
                   +0 :              -0.00001488376353
                   +1 :              -0.00000289495953
                   +2 :               0.00000786920273
             11 vec=    10.373810    -11.736232      4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00001286299488
                2s
                   +0 :              -0.00002725242014
                3s
                   +0 :               0.00007923892916
                2p
                   -1 :               0.00005116111887
                   +0 :               0.00009848544713
                   +1 :              -0.00024281473340
                3p
                   -1 :              -0.00013659434444
                   +0 :              -0.00002178755164
                   +1 :               0.00026276955901
                3d
                   -2 :              -0.00002646453869
                   -1 :              -0.00000053554327
                   +0 :              -0.00001548830246
                   +1 :               0.00000608571104
                   +2 :              -0.00000142679833
             12 vec=    -5.186516     15.215042      4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00000171735805
                2s
                   +0 :              -0.00000198423518
                3s
                   +0 :              -0.00000044930673
                2p
                   -1 :              -0.00005300483420
                   +0 :               0.00005514903605
                   +1 :              -0.00003926140000
                3p
                   -1 :               0.00001961320556
                   +0 :              -0.00004729184584
                   +1 :               0.00001414495282
                3d
                   -2 :               0.00000718982630
                   -1 :               0.00000043079550
                   +0 :              -0.00000230693945
                   +1 :               0.00000045746301
                   +2 :               0.00000026861272
             13 vec=     2.593647    -16.228111      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00001633775352
                2s
                   +0 :               0.00010066443780
                3s
                   +0 :              -0.00005800092161
                2p
                   -1 :              -0.00011890205766
                   +0 :              -0.00007647368928
                   +1 :               0.00003588818827
                3p
                   -1 :               0.00009620119309
                   +0 :               0.00004607589668
                   +1 :              -0.00003576626678
                3d
                   -2 :               0.00000752992103
                   -1 :              -0.00000013662135
                   +0 :              -0.00000141431321
                   +1 :              -0.00000320236884
                   +2 :               0.00000280229412
             14 vec=   -12.966678     10.723163      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00001667441985
                2s
                   +0 :              -0.00013308068409
                3s
                   +0 :               0.00004849428923
                2p
                   -1 :               0.00000456903644
                   +0 :              -0.00006828440962
                   +1 :               0.00014198604469
                3p
                   -1 :              -0.00001773526132
                   +0 :               0.00002358761917
                   +1 :              -0.00008749325693
                3d
                   -2 :               0.00000496258795
                   -1 :              -0.00000229520236
                   +0 :              -0.00000205907022
                   +1 :              -0.00000357775740
                   +2 :              -0.00000135545566
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 27)  npairs=  14
              1 vec=    -2.802933      1.376012      4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00061602531332
                2s
                   +0 :              -0.03370516421724
                3s
                   +0 :              -0.00020658730765
                2p
                   -1 :              -0.00921887254449
                   +0 :              -0.02144244353651
                   +1 :               0.00542338393464
                3p
                   -1 :              -0.00001661057383
                   +0 :              -0.00184849060136
                   +1 :               0.00164376069425
                3d
                   -2 :               0.00051089813613
                   -1 :              -0.00132091717119
                   +0 :              -0.00178098360782
                   +1 :               0.00153875452133
                   +2 :              -0.00006788453069
              2 vec=     4.977229     -3.115867      4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00175174237967
                2s
                   +0 :               0.01122831675727
                3s
                   +0 :              -0.00581981922756
                2p
                   -1 :              -0.00201435939259
                   +0 :               0.00069075219489
                   +1 :               0.01075566265864
                3p
                   -1 :               0.00050660493206
                   +0 :               0.00025131829884
                   +1 :              -0.00868749157545
                3d
                   -2 :               0.00038729139117
                   -1 :               0.00015595540799
                   +0 :               0.00024946105071
                   +1 :              -0.00017331338082
                   +2 :              -0.00040105749500
              3 vec=     4.977229      5.867891      4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00011488005151
                2s
                   +0 :               0.00024549085952
                3s
                   +0 :              -0.00000670258905
                2p
                   -1 :               0.00271710217497
                   +0 :              -0.00225114559806
                   +1 :               0.00176315196265
                3p
                   -1 :              -0.00124163611462
                   +0 :               0.00102047944255
                   +1 :              -0.00094528547232
                3d
                   -2 :              -0.00005713787262
                   -1 :               0.00007228725122
                   +0 :              -0.00007931074665
                   +1 :              -0.00016701208475
                   +2 :              -0.00002984842240
              4 vec=    -2.802933     -7.607746      4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00012204617941
                2s
                   +0 :              -0.00046402121729
                3s
                   +0 :               0.00018487439433
                2p
                   -1 :              -0.00225597756602
                   +0 :              -0.00254744429083
                   +1 :              -0.00278659171990
                3p
                   -1 :               0.00213024215251
                   +0 :               0.00114520547113
                   +1 :               0.00189965654893
                3d
                   -2 :              -0.00005552600366
                   -1 :              -0.00000812600196
                   +0 :              -0.00000211670629
                   +1 :               0.00011182792720
                   +2 :               0.00001405853773
              5 vec=    -2.802933     10.359770      4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00011760961587
                2s
                   +0 :              -0.00083009684751
                3s
                   +0 :               0.00041667920696
                2p
                   -1 :              -0.00074642680443
                   +0 :              -0.00008909444005
                   +1 :              -0.00019839101692
                3p
                   -1 :               0.00050964618669
                   +0 :              -0.00002427450022
                   +1 :               0.00005947530741
                3d
                   -2 :               0.00000399276091
                   -1 :               0.00001007410621
                   +0 :               0.00004883044077
                   +1 :               0.00000504576716
                   +2 :              -0.00002245441310
              6 vec=   -10.583096     -3.115867      4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00002092890560
                2s
                   +0 :              -0.00028488506937
                3s
                   +0 :              -0.00002619806717
                2p
                   -1 :               0.00058682681290
                   +0 :              -0.00063054250043
                   +1 :              -0.00062103166278
                3p
                   -1 :              -0.00042536556197
                   +0 :               0.00037922685633
                   +1 :               0.00067918258076
                3d
                   -2 :              -0.00002143856584
                   -1 :               0.00002458922871
                   +0 :              -0.00003864235975
                   +1 :              -0.00005079940327
                   +2 :              -0.00011301960275
              7 vec=   -10.583096      5.867891      4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00003644563156
                2s
                   +0 :              -0.00067673249966
                3s
                   +0 :               0.00012464642951
                2p
                   -1 :              -0.00016013526759
                   +0 :               0.00035122314963
                   +1 :              -0.00005959848159
                3p
                   -1 :               0.00009094415282
                   +0 :              -0.00028680089190
                   +1 :               0.00010864987829
                3d
                   -2 :              -0.00003577368000
                   -1 :              -0.00000540583490
                   +0 :              -0.00002408159074
                   +1 :               0.00000007371849
                   +2 :              -0.00002243811891
              8 vec=    12.757392      1.376012      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00005225248905
                2s
                   +0 :               0.00089679393719
                3s
                   +0 :              -0.00003714607359
                2p
                   -1 :               0.00070166577213
                   +0 :               0.00069638677690
                   +1 :               0.00030207564386
                3p
                   -1 :              -0.00050175153317
                   +0 :              -0.00012115203015
                   +1 :              -0.00015334288582
                3d
                   -2 :              -0.00000225189361
                   -1 :               0.00000781825042
                   +0 :               0.00003193263673
                   +1 :               0.00000579610170
                   +2 :               0.00002030878945
              9 vec=     4.977229    -12.099625      4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00007181272105
                2s
                   +0 :               0.00056918162459
                3s
                   +0 :              -0.00016160849033
                2p
                   -1 :              -0.00009943986988
                   +0 :               0.00036708923963
                   +1 :               0.00020282803437
                3p
                   -1 :               0.00004137427522
                   +0 :              -0.00010908821939
                   +1 :              -0.00025800895171
                3d
                   -2 :               0.00002816646321
                   -1 :              -0.00000852054892
                   +0 :               0.00001126689991
                   +1 :              -0.00002690172946
                   +2 :               0.00001685407985
             10 vec=    12.757392     -7.607746      4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00003271114475
                2s
                   +0 :               0.00023797827210
                3s
                   +0 :              -0.00006803992190
                2p
                   -1 :              -0.00009643133371
                   +0 :               0.00004928543102
                   +1 :               0.00003113013119
                3p
                   -1 :               0.00000949307670
                   +0 :              -0.00000527060114
                   +1 :               0.00003735635013
                3d
                   -2 :              -0.00000660938109
                   -1 :               0.00000713503399
                   +0 :              -0.00000223649022
                   +1 :               0.00000286819647
                   +2 :               0.00001478669137
             11 vec=     4.977229     14.851649      4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00001197849397
                2s
                   +0 :              -0.00003946392806
                3s
                   +0 :               0.00005550773779
                2p
                   -1 :               0.00000772891206
                   +0 :              -0.00002515350261
                   +1 :              -0.00003803449624
                3p
                   -1 :               0.00003936597728
                   +0 :               0.00003844235010
                   +1 :               0.00000961057736
                3d
                   -2 :              -0.00000094329710
                   -1 :               0.00000436112214
                   +0 :              -0.00000056040731
                   +1 :              -0.00000372646776
                   +2 :               0.00000036665638
             12 vec=   -10.583096    -12.099625      4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00002532265178
                2s
                   +0 :              -0.00017613697358
                3s
                   +0 :               0.00005199212945
                2p
                   -1 :               0.00009869420466
                   +0 :               0.00008971592093
                   +1 :               0.00007195895133
                3p
                   -1 :              -0.00000587705187
                   +0 :              -0.00012975581782
                   +1 :              -0.00001348734682
                3d
                   -2 :              -0.00000525655231
                   -1 :               0.00000567399730
                   +0 :               0.00000730376482
                   +1 :               0.00001131043686
                   +2 :              -0.00000752279950
             13 vec=    12.757392     10.359770      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00002257968017
                2s
                   +0 :               0.00015840362052
                3s
                   +0 :              -0.00004408308767
                2p
                   -1 :               0.00015078408127
                   +0 :               0.00001249618468
                   +1 :               0.00003613105875
                3p
                   -1 :              -0.00009359804439
                   +0 :               0.00001649612171
                   +1 :               0.00000561982598
                3d
                   -2 :               0.00000462185322
                   -1 :              -0.00000346732980
                   +0 :               0.00000541953709
                   +1 :              -0.00000295714709
                   +2 :               0.00000977218045
             14 vec=    -2.802933    -16.591504      4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00001974182438
                2s
                   +0 :              -0.00010442541889
                3s
                   +0 :               0.00005888811148
                2p
                   -1 :              -0.00000188293524
                   +0 :               0.00000991009225
                   +1 :              -0.00001618998805
                3p
                   -1 :               0.00000430096449
                   +0 :              -0.00000528821315
                   +1 :               0.00002662669417
                3d
                   -2 :              -0.00000981505973
                   -1 :               0.00000124593689
                   +0 :              -0.00000013759142
                   +1 :               0.00000290262844
                   +2 :              -0.00000221161375
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 28)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00017409847688
                2s
                   +0 :              -0.00121820959020
                3s
                   +0 :               0.00037391997346
                2p
                   -1 :              -0.00014014299983
                   +0 :               0.00115818197012
                   +1 :              -0.00296626882377
                3p
                   -1 :               0.00045385547795
                   +0 :              -0.00064617128065
                   +1 :               0.00214956179077
                3d
                   -2 :               0.00000085725646
                   -1 :               0.00001533917317
                   +0 :              -0.00007578848753
                   +1 :              -0.00015648170226
                   +2 :               0.00000957496077
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00018452843904
                2s
                   +0 :               0.00216453277066
                3s
                   +0 :               0.00003158084653
                2p
                   -1 :               0.00136871770511
                   +0 :              -0.00302796850204
                   +1 :               0.00022299106848
                3p
                   -1 :               0.00049543670365
                   +0 :               0.00009074533327
                   +1 :              -0.00012788235510
                3d
                   -2 :              -0.00000204825008
                   -1 :              -0.00020669900740
                   +0 :               0.00008258163579
                   +1 :              -0.00009767359170
                   +2 :              -0.00008050657212
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00013379126694
                2s
                   +0 :              -0.00117625517106
                3s
                   +0 :              -0.00006605463799
                2p
                   -1 :               0.00106287379488
                   +0 :               0.00185991830972
                   +1 :              -0.00137531822087
                3p
                   -1 :               0.00014199977700
                   +0 :              -0.00043212107612
                   +1 :               0.00171925097734
                3d
                   -2 :              -0.00004023689647
                   -1 :              -0.00017740168821
                   +0 :               0.00005641176954
                   +1 :              -0.00017526287981
                   +2 :              -0.00010771558810
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00000497223820
                2s
                   +0 :               0.00051001626907
                3s
                   +0 :               0.00000251923910
                2p
                   -1 :              -0.00057177049467
                   +0 :              -0.00004284183030
                   +1 :               0.00042892350262
                3p
                   -1 :               0.00037378671047
                   +0 :              -0.00017821651462
                   +1 :              -0.00017123047122
                3d
                   -2 :              -0.00000897776114
                   -1 :               0.00001215320769
                   +0 :               0.00004865680039
                   +1 :              -0.00000853529862
                   +2 :              -0.00002446937002
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001201462491
                2s
                   +0 :              -0.00009267690967
                3s
                   +0 :               0.00005879967360
                2p
                   -1 :               0.00037032864685
                   +0 :              -0.00007700190714
                   +1 :              -0.00014897156162
                3p
                   -1 :              -0.00033804131916
                   +0 :               0.00011921176141
                   +1 :               0.00010455398619
                3d
                   -2 :               0.00003380068460
                   -1 :              -0.00000036089783
                   +0 :              -0.00001322448893
                   +1 :               0.00000424079093
                   +2 :              -0.00000044987376
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00001579007711
                2s
                   +0 :              -0.00022998785392
                3s
                   +0 :              -0.00006904042508
                2p
                   -1 :              -0.00034905218420
                   +0 :               0.00026607910076
                   +1 :               0.00026788004535
                3p
                   -1 :               0.00010644610144
                   +0 :              -0.00029460358551
                   +1 :              -0.00019531445123
                3d
                   -2 :               0.00001407756838
                   -1 :              -0.00000907634199
                   +0 :               0.00001885475981
                   +1 :               0.00002342967651
                   +2 :               0.00001048233508
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00003020857647
                2s
                   +0 :              -0.00015982433991
                3s
                   +0 :               0.00011218870412
                2p
                   -1 :               0.00007866792000
                   +0 :              -0.00020689712845
                   +1 :               0.00001326498179
                3p
                   -1 :              -0.00008256404731
                   +0 :               0.00015161129556
                   +1 :               0.00002560247663
                3d
                   -2 :              -0.00001215564623
                   -1 :               0.00000973787776
                   +0 :              -0.00002087973725
                   +1 :               0.00000361707551
                   +2 :              -0.00001006065660
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00001905732218
                2s
                   +0 :              -0.00008971833548
                3s
                   +0 :               0.00005339964733
                2p
                   -1 :               0.00010495094111
                   +0 :              -0.00007905507096
                   +1 :              -0.00021942268117
                3p
                   -1 :              -0.00010499115604
                   +0 :               0.00000935870279
                   +1 :               0.00017214815309
                3d
                   -2 :              -0.00000734549794
                   -1 :              -0.00000113451623
                   +0 :               0.00000279444553
                   +1 :               0.00000632329040
                   +2 :               0.00000601077157
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00001948483164
                2s
                   +0 :               0.00011526072925
                3s
                   +0 :               0.00000120144018
                2p
                   -1 :               0.00005907962028
                   +0 :               0.00001609392393
                   +1 :               0.00030345162893
                3p
                   -1 :              -0.00001730066593
                   +0 :              -0.00004443327550
                   +1 :              -0.00021835317515
                3d
                   -2 :              -0.00000968648213
                   -1 :              -0.00000426809588
                   +0 :               0.00001240140913
                   +1 :              -0.00000384397880
                   +2 :               0.00000278980694
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00001637910791
                2s
                   +0 :               0.00007662869867
                3s
                   +0 :              -0.00005197291500
                2p
                   -1 :               0.00001868951764
                   +0 :              -0.00001474253412
                   +1 :              -0.00006088398539
                3p
                   -1 :              -0.00002096499948
                   +0 :               0.00001599046405
                   +1 :               0.00000859363090
                3d
                   -2 :               0.00000205119474
                   -1 :              -0.00000540330485
                   +0 :              -0.00000915697739
                   +1 :               0.00000854386001
                   +2 :               0.00000623948664
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000124257565
                2s
                   +0 :              -0.00004769861901
                3s
                   +0 :              -0.00000864740210
                2p
                   -1 :               0.00012391377534
                   +0 :               0.00011613770773
                   +1 :              -0.00012340705383
                3p
                   -1 :              -0.00007301012889
                   +0 :              -0.00004935559083
                   +1 :               0.00014767655158
                3d
                   -2 :               0.00001011196277
                   -1 :              -0.00000327608428
                   +0 :               0.00000371720621
                   +1 :               0.00000191106877
                   +2 :              -0.00000839270131
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000928724236
                2s
                   +0 :              -0.00000928575849
                3s
                   +0 :              -0.00004885724093
                2p
                   -1 :              -0.00006395057909
                   +0 :               0.00003597763099
                   +1 :               0.00005706398739
                3p
                   -1 :               0.00003341948506
                   +0 :               0.00003518533210
                   +1 :              -0.00000528722905
                3d
                   -2 :              -0.00000796823700
                   -1 :              -0.00000527661313
                   +0 :              -0.00000166010946
                   +1 :              -0.00000808581068
                   +2 :              -0.00000538419202
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000510212673
                2s
                   +0 :               0.00007970561436
                3s
                   +0 :              -0.00001462982453
                2p
                   -1 :               0.00003502512908
                   +0 :               0.00007382358467
                   +1 :              -0.00011942521757
                3p
                   -1 :              -0.00005237243961
                   +0 :              -0.00001913227930
                   +1 :               0.00003162000611
                3d
                   -2 :               0.00000405229279
                   -1 :              -0.00000644156428
                   +0 :               0.00000240924258
                   +1 :              -0.00000364027732
                   +2 :               0.00000150252259
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001038842833
                2s
                   +0 :              -0.00007829196121
                3s
                   +0 :               0.00002359949672
                2p
                   -1 :              -0.00002179107759
                   +0 :              -0.00007107494517
                   +1 :              -0.00002525248790
                3p
                   -1 :              -0.00000655453736
                   +0 :               0.00001697076539
                   +1 :              -0.00000527875322
                3d
                   -2 :              -0.00000242033781
                   -1 :              -0.00000155828000
                   +0 :              -0.00000424404611
                   +1 :              -0.00000109997964
                   +2 :              -0.00000070586588
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000644480079
                2s
                   +0 :              -0.00005598899177
                3s
                   +0 :               0.00002139187879
                2p
                   -1 :               0.00000168364974
                   +0 :              -0.00002434872142
                   +1 :               0.00004289166787
                3p
                   -1 :              -0.00000129361162
                   +0 :              -0.00000941651823
                   +1 :              -0.00004530409561
                3d
                   -2 :               0.00000158227265
                   -1 :               0.00000048832280
                   +0 :              -0.00000067018338
                   +1 :              -0.00000094480918
                   +2 :              -0.00000396762297
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 29)  npairs=  14
              1 vec=    -0.418832      0.000150     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00000803489451
                2s
                   +0 :              -0.00003485980822
                3s
                   +0 :              -0.00017026344360
                2p
                   -1 :               0.00215484607464
                   +0 :               0.00148524767938
                   +1 :              -0.00086975874038
                3p
                   -1 :              -0.00192035396476
                   +0 :              -0.00103873107702
                   +1 :              -0.00044220190214
                3d
                   -2 :               0.00001015217995
                   -1 :               0.00015023160281
                   +0 :               0.00017384601210
                   +1 :               0.00001406914342
                   +2 :              -0.00003744487375
              2 vec=     7.361331     -4.491729     -8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00010171288135
                2s
                   +0 :              -0.00066021741947
                3s
                   +0 :               0.00029898112178
                2p
                   -1 :              -0.00075790572481
                   +0 :               0.00060663245420
                   +1 :               0.00083330732775
                3p
                   -1 :               0.00065103013889
                   +0 :              -0.00040803185929
                   +1 :              -0.00092475059622
                3d
                   -2 :               0.00007193711959
                   -1 :              -0.00007671259355
                   +0 :               0.00002829910717
                   +1 :               0.00002688705378
                   +2 :              -0.00004908120491
              3 vec=     7.361331      4.492029     -8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00006907223874
                2s
                   +0 :               0.00007604247584
                3s
                   +0 :               0.00038553482148
                2p
                   -1 :               0.00020135126347
                   +0 :              -0.00037383697237
                   +1 :              -0.00057091621455
                3p
                   -1 :               0.00017908091009
                   +0 :              -0.00027198147113
                   +1 :               0.00049731090848
                3d
                   -2 :               0.00000876998434
                   -1 :              -0.00005825570874
                   +0 :              -0.00000880481235
                   +1 :              -0.00000095510037
                   +2 :              -0.00002740886879
              4 vec=    -0.418832     -8.983608     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00000115372101
                2s
                   +0 :              -0.00006647637735
                3s
                   +0 :               0.00010418886757
                2p
                   -1 :              -0.00024843937227
                   +0 :               0.00003003043014
                   +1 :               0.00024997483248
                3p
                   -1 :               0.00026790462402
                   +0 :              -0.00001613002783
                   +1 :              -0.00055717399820
                3d
                   -2 :               0.00008087629843
                   -1 :               0.00001149247799
                   +0 :              -0.00000750795458
                   +1 :               0.00002354622307
                   +2 :              -0.00004649250410
              5 vec=    -0.418832      8.983908     -8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00005894768285
                2s
                   +0 :               0.00035174219300
                3s
                   +0 :              -0.00028690493982
                2p
                   -1 :               0.00033834942602
                   +0 :              -0.00029308073702
                   +1 :              -0.00051675718050
                3p
                   -1 :              -0.00040635831948
                   +0 :               0.00026291228503
                   +1 :               0.00017549980820
                3d
                   -2 :              -0.00003407576631
                   -1 :               0.00006803005010
                   +0 :              -0.00001298416054
                   +1 :              -0.00000769617976
                   +2 :               0.00005572678150
              6 vec=    -8.198995     -4.491729     -8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00000873893969
                2s
                   +0 :              -0.00010897032154
                3s
                   +0 :              -0.00002488773731
                2p
                   -1 :               0.00082619657550
                   +0 :               0.00077286455025
                   +1 :               0.00050955736959
                3p
                   -1 :              -0.00058630661595
                   +0 :              -0.00060569854722
                   +1 :              -0.00035341856346
                3d
                   -2 :               0.00002202025772
                   -1 :               0.00004605977097
                   +0 :               0.00001276831985
                   +1 :               0.00002653355300
                   +2 :              -0.00001046053100
              7 vec=    -8.198995      4.492029     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00007088821467
                2s
                   +0 :              -0.00084733181759
                3s
                   +0 :               0.00013072549505
                2p
                   -1 :              -0.00051545307090
                   +0 :               0.00031629442921
                   +1 :               0.00064647222559
                3p
                   -1 :               0.00020622405572
                   +0 :               0.00018974968327
                   +1 :              -0.00034605837579
                3d
                   -2 :              -0.00002689224137
                   -1 :               0.00005627948948
                   +0 :              -0.00003812522761
                   +1 :              -0.00000392499808
                   +2 :               0.00001246663941
              8 vec=    -0.418832      0.000150     16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000125158009
                2s
                   +0 :              -0.00000743053478
                3s
                   +0 :              -0.00001631340153
                2p
                   -1 :              -0.00000699790227
                   +0 :               0.00001629623440
                   +1 :               0.00000955672753
                3p
                   -1 :              -0.00000523456961
                   +0 :              -0.00004042222042
                   +1 :              -0.00001703771487
                3d
                   -2 :               0.00000218030028
                   -1 :              -0.00000066077273
                   +0 :              -0.00000150628662
                   +1 :              -0.00000550387099
                   +2 :               0.00000112703818
              9 vec=    15.141493      0.000150     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00000654181784
                2s
                   +0 :               0.00009607506899
                3s
                   +0 :               0.00002373927419
                2p
                   -1 :              -0.00011325417919
                   +0 :              -0.00010982124216
                   +1 :               0.00008500298788
                3p
                   -1 :               0.00005862707528
                   +0 :               0.00004638791366
                   +1 :               0.00002863859218
                3d
                   -2 :               0.00000157271581
                   -1 :              -0.00000123483454
                   +0 :              -0.00000436017280
                   +1 :              -0.00000114703161
                   +2 :               0.00000849671507
             10 vec=     7.361331    -13.475487     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000368204235
                2s
                   +0 :              -0.00000029161168
                3s
                   +0 :               0.00001692788435
                2p
                   -1 :               0.00008407097766
                   +0 :              -0.00001306757288
                   +1 :               0.00004373758005
                3p
                   -1 :              -0.00010579745686
                   +0 :              -0.00001287302629
                   +1 :              -0.00002640949568
                3d
                   -2 :              -0.00000213826794
                   -1 :              -0.00000036719110
                   +0 :              -0.00000258833510
                   +1 :              -0.00000263091736
                   +2 :              -0.00000240619409
             11 vec=     7.361331     13.475787     -8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00002172730036
                2s
                   +0 :               0.00016316854344
                3s
                   +0 :              -0.00006169993198
                2p
                   -1 :               0.00016953749814
                   +0 :              -0.00006678909610
                   +1 :               0.00004528791785
                3p
                   -1 :              -0.00008959054743
                   +0 :               0.00002881693882
                   +1 :              -0.00003919152352
                3d
                   -2 :              -0.00000224609614
                   -1 :               0.00000266613527
                   +0 :              -0.00000031479498
                   +1 :               0.00000520463044
                   +2 :               0.00000303564142
             12 vec=    -8.198995    -13.475487     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000992732565
                2s
                   +0 :               0.00005239671850
                3s
                   +0 :              -0.00004787374623
                2p
                   -1 :              -0.00000546885412
                   +0 :               0.00002087479039
                   +1 :               0.00001338542333
                3p
                   -1 :               0.00001613799898
                   +0 :               0.00000138975646
                   +1 :              -0.00000001638983
                3d
                   -2 :              -0.00000445774169
                   -1 :              -0.00000307674073
                   +0 :               0.00000254380655
                   +1 :              -0.00000291055161
                   +2 :              -0.00000026178774
             13 vec=    -8.198995     13.475787     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000208720249
                2s
                   +0 :              -0.00003814711945
                3s
                   +0 :              -0.00001507138716
                2p
                   -1 :               0.00004748961198
                   +0 :               0.00003584010026
                   +1 :               0.00005986491086
                3p
                   -1 :              -0.00009417277524
                   +0 :              -0.00000388483128
                   +1 :              -0.00004106405454
                3d
                   -2 :               0.00000246804721
                   -1 :               0.00000557024645
                   +0 :              -0.00000568596689
                   +1 :               0.00000259159139
                   +2 :               0.00000458693809
             14 vec=   -15.979157      0.000150     -8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00001571938786
                2s
                   +0 :              -0.00013506869779
                3s
                   +0 :               0.00004021404059
                2p
                   -1 :               0.00004468245647
                   +0 :               0.00003338461032
                   +1 :               0.00008970898062
                3p
                   -1 :              -0.00001763034041
                   +0 :              -0.00000791181565
                   +1 :              -0.00001902821920
                3d
                   -2 :              -0.00000340592883
                   -1 :              -0.00000082864644
                   +0 :              -0.00000275835202
                   +1 :               0.00000352100897
                   +2 :              -0.00000012627078
WF             site_B          number of pairs
WF( 17)=[O_4_2px]  to site O ( 30)  npairs=  15
              1 vec=     4.977229      0.362644     -8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00016772860582
                2s
                   +0 :               0.00143500400790
                3s
                   +0 :              -0.00008458831857
                2p
                   -1 :               0.00077231941572
                   +0 :              -0.00189954534058
                   +1 :              -0.00042362041576
                3p
                   -1 :              -0.00147604850126
                   +0 :               0.00045206502196
                   +1 :               0.00097383963038
                3d
                   -2 :              -0.00004000860344
                   -1 :               0.00017821648082
                   +0 :               0.00000897869423
                   +1 :              -0.00012156182859
                   +2 :               0.00006414294051
              2 vec=    -2.802933     -4.129235     -8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00033212765063
                2s
                   +0 :               0.00206286414749
                3s
                   +0 :              -0.00096233030861
                2p
                   -1 :              -0.00100819393683
                   +0 :              -0.00120831938005
                   +1 :               0.00050390253694
                3p
                   -1 :               0.00042072612659
                   +0 :               0.00058960026123
                   +1 :              -0.00052807924767
                3d
                   -2 :               0.00009760717381
                   -1 :               0.00002417714393
                   +0 :               0.00007760695048
                   +1 :               0.00000307265838
                   +2 :               0.00017195843981
              3 vec=    -2.802933      4.854523     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00033972696255
                2s
                   +0 :              -0.00311870896012
                3s
                   +0 :               0.00058003700975
                2p
                   -1 :              -0.00283340047580
                   +0 :               0.00209809686268
                   +1 :               0.00060800371005
                3p
                   -1 :               0.00107016583016
                   +0 :              -0.00009002170801
                   +1 :              -0.00070937373306
                3d
                   -2 :              -0.00005523835067
                   -1 :               0.00002755269799
                   +0 :              -0.00012927243104
                   +1 :               0.00010589784512
                   +2 :               0.00004427391172
              4 vec=     4.977229     -8.621114     -8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00007278668579
                2s
                   +0 :               0.00063675065189
                3s
                   +0 :              -0.00025871735455
                2p
                   -1 :               0.00029671075358
                   +0 :              -0.00028341815378
                   +1 :               0.00050808493192
                3p
                   -1 :              -0.00020025046634
                   +0 :               0.00003346479817
                   +1 :              -0.00036760974506
                3d
                   -2 :               0.00004895197266
                   -1 :               0.00000188052486
                   +0 :               0.00003769771140
                   +1 :               0.00003387636397
                   +2 :               0.00000624648860
              5 vec=     4.977229      9.346402     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00003390277299
                2s
                   +0 :               0.00002819062973
                3s
                   +0 :               0.00009125483722
                2p
                   -1 :              -0.00013816850861
                   +0 :               0.00028011597376
                   +1 :               0.00017937423454
                3p
                   -1 :               0.00029668201583
                   +0 :              -0.00018169375106
                   +1 :              -0.00015631657691
                3d
                   -2 :              -0.00000521290775
                   -1 :              -0.00001103623525
                   +0 :               0.00002322743929
                   +1 :               0.00004195285666
                   +2 :              -0.00002799376067
              6 vec=   -10.583096      0.362644     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00006108592343
                2s
                   +0 :              -0.00086599996205
                3s
                   +0 :               0.00018991533200
                2p
                   -1 :              -0.00002525835261
                   +0 :               0.00050763696049
                   +1 :               0.00027932323347
                3p
                   -1 :               0.00009390322191
                   +0 :              -0.00020004686838
                   +1 :               0.00000114561511
                3d
                   -2 :              -0.00004142628333
                   -1 :              -0.00000478088744
                   +0 :               0.00000737298937
                   +1 :               0.00002090234649
                   +2 :               0.00000035608821
              7 vec=    12.757392     -4.129235     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00000994249109
                2s
                   +0 :               0.00010162293889
                3s
                   +0 :               0.00000238240328
                2p
                   -1 :              -0.00007260835702
                   +0 :              -0.00008549842319
                   +1 :              -0.00003102720421
                3p
                   -1 :              -0.00000703198061
                   +0 :              -0.00004965595788
                   +1 :               0.00009765094976
                3d
                   -2 :               0.00001431510683
                   -1 :              -0.00001881623803
                   +0 :              -0.00000407986330
                   +1 :              -0.00001435582947
                   +2 :               0.00000504236990
              8 vec=    -2.802933    -13.112993     -8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00002615070145
                2s
                   +0 :               0.00016652349596
                3s
                   +0 :              -0.00010660218183
                2p
                   -1 :              -0.00008330042073
                   +0 :               0.00003370186685
                   +1 :               0.00003718575306
                3p
                   -1 :               0.00005165026060
                   +0 :               0.00002777243123
                   +1 :              -0.00008892563244
                3d
                   -2 :               0.00000846677876
                   -1 :              -0.00000461670201
                   +0 :              -0.00000249757354
                   +1 :               0.00001413484508
                   +2 :               0.00000232645926
              9 vec=    12.757392      4.854523     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00001212838868
                2s
                   +0 :               0.00012083882928
                3s
                   +0 :              -0.00000526665668
                2p
                   -1 :               0.00024164373251
                   +0 :              -0.00002964124071
                   +1 :               0.00005874393694
                3p
                   -1 :              -0.00016101887415
                   +0 :              -0.00006457424720
                   +1 :              -0.00002007411214
                3d
                   -2 :              -0.00001659677002
                   -1 :               0.00000710303873
                   +0 :               0.00000528414705
                   +1 :              -0.00001427097978
                   +2 :              -0.00000506877031
             10 vec=   -10.583096     -8.621114     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00005100452129
                2s
                   +0 :               0.00030007437003
                3s
                   +0 :              -0.00018351045364
                2p
                   -1 :              -0.00010772539687
                   +0 :              -0.00001061027541
                   +1 :              -0.00011403708363
                3p
                   -1 :               0.00012077585331
                   +0 :               0.00001030319118
                   +1 :               0.00011605985391
                3d
                   -2 :              -0.00000785616038
                   -1 :               0.00000629948316
                   +0 :              -0.00000135948609
                   +1 :              -0.00000270539148
                   +2 :               0.00000831465641
             11 vec=    -2.802933     13.838281     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00002764679492
                2s
                   +0 :              -0.00016384670466
                3s
                   +0 :               0.00007198990675
                2p
                   -1 :              -0.00004969132650
                   +0 :               0.00001561674291
                   +1 :               0.00003420437397
                3p
                   -1 :               0.00001866871926
                   +0 :               0.00000699073811
                   +1 :              -0.00005103291699
                3d
                   -2 :              -0.00000343589151
                   -1 :              -0.00000338723435
                   +0 :              -0.00000216586939
                   +1 :               0.00000025355251
                   +2 :              -0.00000296451098
             12 vec=   -10.583096      9.346402     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00000464680814
                2s
                   +0 :              -0.00007415488854
                3s
                   +0 :              -0.00000223763143
                2p
                   -1 :              -0.00007727961373
                   +0 :               0.00011020132133
                   +1 :               0.00004271621998
                3p
                   -1 :               0.00001596394211
                   +0 :              -0.00005834243686
                   +1 :               0.00001754706713
                3d
                   -2 :               0.00000117713708
                   -1 :              -0.00000437278348
                   +0 :               0.00000932675297
                   +1 :               0.00000196429951
                   +2 :               0.00000047620397
             13 vec=     4.977229      0.362644     16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00001455581114
                2s
                   +0 :              -0.00009764524413
                3s
                   +0 :               0.00005225384886
                2p
                   -1 :               0.00007619882332
                   +0 :              -0.00014252238553
                   +1 :              -0.00009822616574
                3p
                   -1 :              -0.00002906786793
                   +0 :               0.00009877949223
                   +1 :               0.00005637755658
                3d
                   -2 :               0.00000303273290
                   -1 :              -0.00000262563693
                   +0 :               0.00000039700350
                   +1 :               0.00000143120788
                   +2 :              -0.00000225392770
             14 vec=    -2.802933     -4.129235     16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00000646841837
                2s
                   +0 :              -0.00008478176342
                3s
                   +0 :               0.00000287021440
                2p
                   -1 :               0.00004197676443
                   +0 :              -0.00003990078746
                   +1 :               0.00002486455741
                3p
                   -1 :              -0.00001389811745
                   +0 :              -0.00003769952817
                   +1 :              -0.00002791055226
                3d
                   -2 :              -0.00000068616936
                   -1 :               0.00000195575088
                   +0 :              -0.00000672622831
                   +1 :              -0.00000009745798
                   +2 :              -0.00000561952382
             15 vec=    -2.802933      4.854523     16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00000362052948
                2s
                   +0 :               0.00000917640208
                3s
                   +0 :               0.00001812491259
                2p
                   -1 :              -0.00008685826249
                   +0 :               0.00000411595280
                   +1 :              -0.00012955307223
                3p
                   -1 :               0.00005489476133
                   +0 :               0.00004461990874
                   +1 :               0.00007315074478
                3d
                   -2 :               0.00000296930028
                   -1 :               0.00000222597993
                   +0 :               0.00000550405209
                   +1 :               0.00000038547882
                   +2 :               0.00000144872550
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al(  1)  npairs=  13
              1 vec=    -2.383842     -1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00027822505020
                2p
                   -1 :              -0.00008124258328
                   +0 :               0.00000858149011
                   +1 :               0.00010413181403
                3s
                   +0 :              -0.00084657709429
                4s
                   +0 :               0.00026280816957
                3p
                   -1 :              -0.00009027301262
                   +0 :               0.00000334003511
                   +1 :              -0.00086457085641
                4p
                   -1 :              -0.00007094125998
                   +0 :              -0.00006210670425
                   +1 :               0.00026658002046
                3d
                   -2 :              -0.00035887182753
                   -1 :               0.00009813918556
                   +0 :               0.00013800411008
                   +1 :               0.00013813295387
                   +2 :               0.00004060594435
              2 vec=     5.396321      3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00000248819467
                2p
                   -1 :               0.00031323558820
                   +0 :               0.00010422764941
                   +1 :               0.00008859813608
                3s
                   +0 :               0.00026596838503
                4s
                   +0 :              -0.00025748462916
                3p
                   -1 :              -0.00152598113126
                   +0 :              -0.00073475719299
                   +1 :              -0.00048807830790
                4p
                   -1 :               0.00045603715680
                   +0 :               0.00017075288789
                   +1 :               0.00013161697994
                3d
                   -2 :               0.00005653814895
                   -1 :               0.00023387580701
                   +0 :               0.00030843302531
                   +1 :              -0.00008526271407
                   +2 :              -0.00023301600701
              3 vec=    -2.383842      7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00001844620209
                2p
                   -1 :               0.00006273258646
                   +0 :              -0.00003092093845
                   +1 :              -0.00018169289760
                3s
                   +0 :               0.00078117089513
                4s
                   +0 :              -0.00017823100178
                3p
                   -1 :               0.00033595189119
                   +0 :               0.00003313098377
                   +1 :               0.00091775763535
                4p
                   -1 :               0.00000703894127
                   +0 :              -0.00002428840428
                   +1 :              -0.00042819783966
                3d
                   -2 :              -0.00004243369299
                   -1 :               0.00011384969984
                   +0 :              -0.00008323636343
                   +1 :               0.00003451808071
                   +2 :               0.00007183227452
              4 vec=     5.396321     -5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00010123696118
                2p
                   -1 :               0.00003296674587
                   +0 :               0.00005848662953
                   +1 :              -0.00023784717275
                3s
                   +0 :              -0.00199696627298
                4s
                   +0 :               0.00017210987945
                3p
                   -1 :               0.00062094750279
                   +0 :               0.00014220538348
                   +1 :              -0.00058205114868
                4p
                   -1 :              -0.00000570937736
                   +0 :               0.00013635395707
                   +1 :              -0.00007539794021
                3d
                   -2 :               0.00024827219784
                   -1 :              -0.00011779081965
                   +0 :               0.00027148043676
                   +1 :               0.00003723093168
                   +2 :              -0.00033039697787
              5 vec=   -10.164004      3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00003457708022
                2p
                   -1 :               0.00015294444743
                   +0 :               0.00002675180512
                   +1 :               0.00006992575220
                3s
                   +0 :               0.00012670512826
                4s
                   +0 :               0.00002408529414
                3p
                   -1 :              -0.00094071456522
                   +0 :              -0.00019917964690
                   +1 :              -0.00026988218953
                4p
                   -1 :               0.00019893315721
                   +0 :               0.00006689625057
                   +1 :              -0.00001951332970
                3d
                   -2 :               0.00018348767969
                   -1 :               0.00019157655906
                   +0 :              -0.00000688125698
                   +1 :               0.00009242667538
                   +2 :               0.00011529267192
              6 vec=    -2.383842    -10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00019529199578
                2p
                   -1 :              -0.00005686366922
                   +0 :              -0.00005629967182
                   +1 :              -0.00001172899924
                3s
                   +0 :              -0.00061368906225
                4s
                   +0 :               0.00016088778815
                3p
                   -1 :               0.00027620543253
                   +0 :               0.00026998609887
                   +1 :               0.00011473737490
                4p
                   -1 :              -0.00004541694028
                   +0 :              -0.00006728276989
                   +1 :               0.00002272560043
                3d
                   -2 :              -0.00003737741541
                   -1 :              -0.00006988661328
                   +0 :               0.00002919769520
                   +1 :              -0.00002284935968
                   +2 :              -0.00003490772319
              7 vec=    -2.383842     -1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00008346645020
                2p
                   -1 :              -0.00002842502368
                   +0 :              -0.00003170643746
                   +1 :               0.00000784775133
                3s
                   +0 :               0.00028341037734
                4s
                   +0 :              -0.00010474014954
                3p
                   -1 :               0.00009421987779
                   +0 :               0.00011905221222
                   +1 :              -0.00007780009653
                4p
                   -1 :              -0.00000408956160
                   +0 :              -0.00003895605668
                   +1 :              -0.00000713693929
                3d
                   -2 :              -0.00006959422128
                   -1 :               0.00001727126456
                   +0 :               0.00001351390653
                   +1 :              -0.00000901503801
                   +2 :              -0.00002965183136
              8 vec=   -10.164004     -5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00009017231492
                2p
                   -1 :               0.00003707818681
                   +0 :               0.00005685643158
                   +1 :               0.00002060598768
                3s
                   +0 :               0.00040717181638
                4s
                   +0 :              -0.00008282321086
                3p
                   -1 :              -0.00026875033503
                   +0 :              -0.00031014574889
                   +1 :              -0.00018983946222
                4p
                   -1 :               0.00009949303276
                   +0 :               0.00004797832162
                   +1 :               0.00000098973971
                3d
                   -2 :               0.00007350037096
                   -1 :               0.00008279925030
                   +0 :               0.00000595553679
                   +1 :               0.00012796267339
                   +2 :              -0.00000907231059
              9 vec=     5.396321      3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00004045809171
                2p
                   -1 :              -0.00005715011267
                   +0 :              -0.00002318290737
                   +1 :               0.00001302941647
                3s
                   +0 :               0.00024607595289
                4s
                   +0 :              -0.00007607558180
                3p
                   -1 :               0.00029222116168
                   +0 :               0.00014362227883
                   +1 :              -0.00005575503652
                4p
                   -1 :              -0.00008354836687
                   +0 :              -0.00002395664187
                   +1 :              -0.00000005282017
                3d
                   -2 :              -0.00000881174637
                   -1 :               0.00005464587054
                   +0 :               0.00001776186202
                   +1 :              -0.00000831246939
                   +2 :              -0.00001908640780
             10 vec=     5.396321     12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00002011649510
                2p
                   -1 :               0.00001248721903
                   +0 :               0.00001022787540
                   +1 :              -0.00000385503280
                3s
                   +0 :               0.00025496109484
                4s
                   +0 :              -0.00008872318302
                3p
                   -1 :               0.00007311898122
                   +0 :              -0.00012195237425
                   +1 :               0.00004855245838
                4p
                   -1 :              -0.00002524548447
                   +0 :               0.00005225912584
                   +1 :              -0.00003607635245
                3d
                   -2 :              -0.00003903223827
                   -1 :              -0.00001691426397
                   +0 :              -0.00001162885306
                   +1 :               0.00002249503586
                   +2 :              -0.00002411813989
             11 vec=    13.176483     -1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00004105467713
                2p
                   -1 :              -0.00001298996202
                   +0 :               0.00000749348742
                   +1 :              -0.00001119715588
                3s
                   +0 :              -0.00011675030920
                4s
                   +0 :               0.00002243412867
                3p
                   -1 :               0.00007166874783
                   +0 :              -0.00008789818522
                   +1 :               0.00004065070036
                4p
                   -1 :              -0.00003308254520
                   +0 :               0.00002033000226
                   +1 :              -0.00002824795595
                3d
                   -2 :               0.00007028152175
                   -1 :              -0.00000601341922
                   +0 :               0.00003574186814
                   +1 :              -0.00003042035163
                   +2 :               0.00002686758178
             12 vec=    -2.383842      7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00003168985421
                2p
                   -1 :               0.00001067154844
                   +0 :               0.00002363947115
                   +1 :              -0.00007269574666
                3s
                   +0 :              -0.00007980346576
                4s
                   +0 :               0.00007105781345
                3p
                   -1 :              -0.00002675410009
                   +0 :              -0.00012376449000
                   +1 :               0.00034016032096
                4p
                   -1 :               0.00001885526052
                   +0 :               0.00004987125683
                   +1 :              -0.00008692227937
                3d
                   -2 :              -0.00001569686554
                   -1 :              -0.00003387865712
                   +0 :              -0.00002897673895
                   +1 :               0.00005501134339
                   +2 :               0.00004724090847
             13 vec=     5.396321     -5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00006526314856
                2p
                   -1 :              -0.00001842535787
                   +0 :               0.00003668086508
                   +1 :              -0.00001932253657
                3s
                   +0 :              -0.00008697586805
                4s
                   +0 :               0.00002616498748
                3p
                   -1 :               0.00000704486331
                   +0 :              -0.00010763284149
                   +1 :               0.00004591824555
                4p
                   -1 :               0.00001063793979
                   +0 :               0.00002752848070
                   +1 :              -0.00002673422761
                3d
                   -2 :              -0.00006914173144
                   -1 :              -0.00003116272546
                   +0 :              -0.00001800804267
                   +1 :               0.00003450043305
                   +2 :               0.00003313571606
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al(  2)  npairs=  14
              1 vec=    -2.383842     -1.376312     -2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.00874421979689
                2p
                   -1 :               0.00361688299535
                   +0 :               0.01013770749120
                   +1 :               0.00955263041680
                3s
                   +0 :              -0.03009700165614
                4s
                   +0 :              -0.00159774141181
                3p
                   -1 :              -0.01868089263222
                   +0 :               0.03011849577758
                   +1 :               0.02678421648542
                4p
                   -1 :               0.00492543498808
                   +0 :               0.00294994667665
                   +1 :               0.00150907289261
                3d
                   -2 :               0.00570287838981
                   -1 :               0.00423309654185
                   +0 :              -0.01258732882264
                   +1 :              -0.02517550053884
                   +2 :              -0.01982066722954
              2 vec=     5.396321      3.115567     -2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00201967029566
                2p
                   -1 :               0.00057145353229
                   +0 :              -0.00027996348009
                   +1 :               0.00055744988469
                3s
                   +0 :              -0.01440704536354
                4s
                   +0 :               0.00460468588637
                3p
                   -1 :              -0.00470926971981
                   +0 :               0.00650621914339
                   +1 :              -0.00829788725618
                4p
                   -1 :               0.00094691200191
                   +0 :              -0.00160586914346
                   +1 :               0.00146650770063
                3d
                   -2 :               0.00046596529697
                   -1 :               0.00199207433889
                   +0 :              -0.00041357302967
                   +1 :               0.00022499349642
                   +2 :              -0.00173630778291
              3 vec=    -2.383842      7.607446     -2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00118746278163
                2p
                   -1 :               0.00101591307758
                   +0 :               0.00045925014793
                   +1 :              -0.00068757329070
                3s
                   +0 :               0.00021671784717
                4s
                   +0 :               0.00121125177033
                3p
                   -1 :              -0.00507619484184
                   +0 :              -0.00686023011188
                   +1 :               0.00478991113168
                4p
                   -1 :               0.00201688917731
                   +0 :               0.00067483002162
                   +1 :              -0.00014359648894
                3d
                   -2 :               0.00216719661967
                   -1 :              -0.00143966132132
                   +0 :               0.00341045698317
                   +1 :              -0.00125717900783
                   +2 :               0.00102146513871
              4 vec=     5.396321     -5.868191     -2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00087462387020
                2p
                   -1 :              -0.00022697285256
                   +0 :              -0.00056135636474
                   +1 :               0.00058049304607
                3s
                   +0 :              -0.00799748827493
                4s
                   +0 :               0.00121065527759
                3p
                   -1 :              -0.00053454780330
                   +0 :               0.00777725702064
                   +1 :              -0.00526778659977
                4p
                   -1 :               0.00012316407229
                   +0 :              -0.00106540354505
                   +1 :               0.00083619960138
                3d
                   -2 :              -0.00086384266623
                   -1 :              -0.00006334100227
                   +0 :              -0.00129193517041
                   +1 :               0.00206884848491
                   +2 :              -0.00125530032156
              5 vec=   -10.164004      3.115567     -2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00031248341725
                2p
                   -1 :               0.00008539516746
                   +0 :              -0.00014832769610
                   +1 :              -0.00032012383989
                3s
                   +0 :               0.00016708179216
                4s
                   +0 :               0.00014662180139
                3p
                   -1 :              -0.00008018387483
                   +0 :               0.00081482063854
                   +1 :               0.00053040752069
                4p
                   -1 :               0.00010746053183
                   +0 :              -0.00031612541955
                   +1 :              -0.00015979327929
                3d
                   -2 :               0.00007376774628
                   -1 :               0.00003983432620
                   +0 :               0.00027202824634
                   +1 :               0.00001248964779
                   +2 :              -0.00004849629686
              6 vec=    -2.383842    -10.360070     -2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00000235075985
                2p
                   -1 :              -0.00007039627677
                   +0 :              -0.00004517994073
                   +1 :              -0.00018234720147
                3s
                   +0 :              -0.00038923949580
                4s
                   +0 :               0.00002850403832
                3p
                   -1 :               0.00059004032549
                   +0 :               0.00029410605366
                   +1 :               0.00059549318016
                4p
                   -1 :              -0.00015678266712
                   +0 :              -0.00004743396308
                   +1 :              -0.00012025821011
                3d
                   -2 :              -0.00031367166544
                   -1 :              -0.00033192760390
                   +0 :               0.00024195216369
                   +1 :               0.00029682278758
                   +2 :               0.00007458520479
              7 vec=   -10.164004     -5.868191     -2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00003029682170
                2p
                   -1 :               0.00008731525242
                   +0 :               0.00016522184668
                   +1 :               0.00006190328170
                3s
                   +0 :              -0.00011025017204
                4s
                   +0 :              -0.00018802269164
                3p
                   -1 :              -0.00014159070050
                   +0 :              -0.00031816763541
                   +1 :              -0.00027583303252
                4p
                   -1 :               0.00015206273751
                   +0 :               0.00011184970160
                   +1 :               0.00009879623688
                3d
                   -2 :               0.00004714048518
                   -1 :              -0.00019925726738
                   +0 :               0.00003528225707
                   +1 :               0.00004740476249
                   +2 :               0.00013981510523
              8 vec=     5.396321     12.099325     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00011222723200
                2p
                   -1 :              -0.00006969747949
                   +0 :               0.00007490546685
                   +1 :               0.00010626984110
                3s
                   +0 :               0.00152036639697
                4s
                   +0 :              -0.00037652107231
                3p
                   -1 :               0.00103002126333
                   +0 :              -0.00113371533953
                   +1 :              -0.00076397223113
                4p
                   -1 :              -0.00023012130559
                   +0 :               0.00014535196839
                   +1 :               0.00014104675036
                3d
                   -2 :              -0.00011679876310
                   -1 :              -0.00038134465356
                   +0 :               0.00028404934870
                   +1 :              -0.00000979753803
                   +2 :              -0.00028246611744
              9 vec=    13.176483     -1.376312     -2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00009244181854
                2p
                   -1 :               0.00012530418250
                   +0 :               0.00002211990465
                   +1 :               0.00009525097882
                3s
                   +0 :              -0.00028111949210
                4s
                   +0 :               0.00012283408746
                3p
                   -1 :              -0.00061688798331
                   +0 :              -0.00001084450088
                   +1 :              -0.00050059307431
                4p
                   -1 :               0.00016019071192
                   +0 :              -0.00008646882043
                   +1 :               0.00015424689163
                3d
                   -2 :              -0.00020630417454
                   -1 :               0.00010534935396
                   +0 :               0.00015931581706
                   +1 :               0.00000246808770
                   +2 :              -0.00013250116175
             10 vec=    13.176483      7.607446     -2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00006209379091
                2p
                   -1 :              -0.00002992987306
                   +0 :               0.00003149970308
                   +1 :              -0.00002939741497
                3s
                   +0 :               0.00028924702298
                4s
                   +0 :              -0.00009840964430
                3p
                   -1 :               0.00013995424186
                   +0 :              -0.00021372752763
                   +1 :               0.00014805143742
                4p
                   -1 :              -0.00004550099238
                   +0 :               0.00006601609818
                   +1 :              -0.00004415990037
                3d
                   -2 :              -0.00000001542303
                   -1 :               0.00000611972715
                   +0 :              -0.00003017210942
                   +1 :              -0.00005444634471
                   +2 :              -0.00001857936307
             11 vec=   -10.164004     12.099325     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00006963433190
                2p
                   -1 :              -0.00006165053701
                   +0 :              -0.00002665088182
                   +1 :               0.00005729697891
                3s
                   +0 :               0.00019207993173
                4s
                   +0 :              -0.00009545366476
                3p
                   -1 :               0.00020831692903
                   +0 :               0.00017080865064
                   +1 :              -0.00026096673072
                4p
                   -1 :              -0.00007570328450
                   +0 :              -0.00001947857737
                   +1 :               0.00008060951452
                3d
                   -2 :              -0.00000737185798
                   -1 :               0.00001855615426
                   +0 :              -0.00005291727093
                   +1 :              -0.00000500853524
                   +2 :               0.00004422594439
             12 vec=     5.396321    -14.851949     -2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00002404846609
                2p
                   -1 :              -0.00005434851602
                   +0 :               0.00003718814611
                   +1 :              -0.00004858070371
                3s
                   +0 :              -0.00021741537373
                4s
                   +0 :               0.00013069877458
                3p
                   -1 :               0.00029486222160
                   +0 :              -0.00010249957637
                   +1 :               0.00016952672459
                4p
                   -1 :              -0.00011392306330
                   +0 :               0.00000859424268
                   +1 :              -0.00002608133538
                3d
                   -2 :               0.00000895465306
                   -1 :               0.00001590306900
                   +0 :              -0.00001393659825
                   +1 :              -0.00001169949286
                   +2 :               0.00003641896913
             13 vec=    -2.383842     16.591204     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00006186095291
                2p
                   -1 :               0.00003024047428
                   +0 :              -0.00002768176431
                   +1 :              -0.00001909854072
                3s
                   +0 :              -0.00013278733537
                4s
                   +0 :               0.00007297696993
                3p
                   -1 :              -0.00012590570766
                   +0 :               0.00009435658385
                   +1 :               0.00003929723529
                4p
                   -1 :               0.00003513903718
                   +0 :              -0.00004428346330
                   +1 :              -0.00000526882397
                3d
                   -2 :              -0.00000688441716
                   -1 :               0.00001711941441
                   +0 :              -0.00001721451683
                   +1 :               0.00004042862342
                   +2 :              -0.00000975711327
             14 vec=    13.176483    -10.360070     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00002004113000
                2p
                   -1 :              -0.00001290503778
                   +0 :               0.00000139225942
                   +1 :               0.00000002954540
                3s
                   +0 :              -0.00013040345929
                4s
                   +0 :               0.00005270208469
                3p
                   -1 :               0.00003279549820
                   +0 :               0.00003250432464
                   +1 :              -0.00002377733522
                4p
                   -1 :               0.00001470852856
                   +0 :              -0.00000238045182
                   +1 :               0.00002967758791
                3d
                   -2 :               0.00001222195090
                   -1 :              -0.00000817024668
                   +0 :              -0.00001731242111
                   +1 :               0.00001053313836
                   +2 :              -0.00000473805297
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Cr(  3)  npairs=  13
              1 vec=    -2.383842     -1.376312      9.763049   |vec|=   10.143671
                3s
                   +0 :              -0.00020152602315
                3p
                   -1 :               0.00015540698740
                   +0 :              -0.00030751371622
                   +1 :               0.00030954486739
                4s
                   +0 :              -0.00011659067382
                5s
                   +0 :               0.00006372594400
                3d
                   -2 :               0.00002453193207
                   -1 :               0.00036219351519
                   +0 :              -0.00012463717195
                   +1 :               0.00048375448607
                   +2 :              -0.00096608839493
                4d
                   -2 :              -0.00002778625601
                   -1 :               0.00001620669533
                   +0 :               0.00006841638697
                   +1 :              -0.00012076440619
                   +2 :               0.00047255776298
                4p
                   -1 :               0.00018940864220
                   +0 :               0.00029858710153
                   +1 :              -0.00023345276872
              2 vec=     5.396321      3.115567      9.763049   |vec|=   11.582062
                3s
                   +0 :               0.00029160589251
                3p
                   -1 :              -0.00036260596591
                   +0 :              -0.00007620173221
                   +1 :               0.00041655369130
                4s
                   +0 :              -0.00066513035532
                5s
                   +0 :               0.00006233593523
                3d
                   -2 :               0.00038251141909
                   -1 :               0.00013546237656
                   +0 :              -0.00003023517292
                   +1 :               0.00002555511084
                   +2 :               0.00011368532961
                4d
                   -2 :              -0.00000961491973
                   -1 :               0.00033017713792
                   +0 :              -0.00006850958661
                   +1 :              -0.00034007737273
                   +2 :              -0.00026417186822
                4p
                   -1 :               0.00058309475919
                   +0 :               0.00002477268229
                   +1 :              -0.00082309753007
              3 vec=    -2.383842      7.607446      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00011986688585
                3p
                   -1 :              -0.00057566408642
                   +0 :              -0.00004996537422
                   +1 :              -0.00024479038289
                4s
                   +0 :              -0.00026895126455
                5s
                   +0 :              -0.00008209029154
                3d
                   -2 :               0.00017544752840
                   -1 :              -0.00051316510244
                   +0 :              -0.00001495723886
                   +1 :              -0.00010218203795
                   +2 :               0.00032405392836
                4d
                   -2 :              -0.00028885229608
                   -1 :               0.00015171340993
                   +0 :               0.00002923723413
                   +1 :               0.00012998382557
                   +2 :               0.00009059220193
                4p
                   -1 :               0.00031728062715
                   +0 :              -0.00014704698819
                   +1 :               0.00032350140590
              4 vec=     5.396321     -5.868191      9.763049   |vec|=   12.604486
                3s
                   +0 :               0.00020572534305
                3p
                   -1 :              -0.00021048602694
                   +0 :               0.00010372878173
                   +1 :               0.00032999809492
                4s
                   +0 :               0.00057845732921
                5s
                   +0 :               0.00000532819383
                3d
                   -2 :              -0.00106231762778
                   -1 :              -0.00030434026548
                   +0 :              -0.00060196208828
                   +1 :               0.00037024482923
                   +2 :              -0.00024801987713
                4d
                   -2 :              -0.00007900802769
                   -1 :              -0.00011403091931
                   +0 :              -0.00003231423770
                   +1 :               0.00006673886169
                   +2 :               0.00011991116405
                4p
                   -1 :              -0.00034742663920
                   +0 :               0.00010367907617
                   +1 :               0.00025181644298
              5 vec=   -10.164004      3.115567      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00005225478343
                3p
                   -1 :              -0.00010448076884
                   +0 :              -0.00002382362117
                   +1 :              -0.00008417132842
                4s
                   +0 :               0.00002899037359
                5s
                   +0 :               0.00000746030249
                3d
                   -2 :              -0.00019510202492
                   -1 :               0.00006023332382
                   +0 :               0.00009552008286
                   +1 :               0.00007951602394
                   +2 :              -0.00015236167194
                4d
                   -2 :               0.00003979248584
                   -1 :               0.00012152260188
                   +0 :              -0.00001249948212
                   +1 :               0.00018976697837
                   +2 :              -0.00019975188842
                4p
                   -1 :               0.00024199061491
                   +0 :               0.00000247715096
                   +1 :               0.00028569803971
              6 vec=    -2.383842    -10.360070      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00002299977395
                3p
                   -1 :               0.00008713515716
                   +0 :               0.00000457171366
                   +1 :               0.00007241952040
                4s
                   +0 :               0.00014340648342
                5s
                   +0 :              -0.00005134255554
                3d
                   -2 :              -0.00000583390555
                   -1 :               0.00002386981427
                   +0 :              -0.00012633179373
                   +1 :              -0.00006149117655
                   +2 :               0.00038481869897
                4d
                   -2 :               0.00006893337705
                   -1 :              -0.00006111621993
                   +0 :               0.00003408271885
                   +1 :              -0.00006226474845
                   +2 :              -0.00008102928451
                4p
                   -1 :              -0.00012063120585
                   +0 :               0.00001464382200
                   +1 :              -0.00021702124633
              7 vec=    -2.383842     -1.376312    -14.784494   |vec|=   15.038557
                3s
                   +0 :               0.00002985936716
                3p
                   -1 :              -0.00000931017433
                   +0 :              -0.00000434110645
                   +1 :               0.00002729590671
                4s
                   +0 :               0.00001952359346
                5s
                   +0 :              -0.00001989551955
                3d
                   -2 :              -0.00008433970711
                   -1 :              -0.00003181280238
                   +0 :              -0.00002970785778
                   +1 :               0.00008121966862
                   +2 :               0.00008801702361
                4d
                   -2 :              -0.00003702190194
                   -1 :               0.00000600527338
                   +0 :               0.00002822839329
                   +1 :               0.00001633039586
                   +2 :               0.00004886156454
                4p
                   -1 :              -0.00004064604766
                   +0 :              -0.00001671355187
                   +1 :              -0.00002849074787
              8 vec=   -10.164004     -5.868191      9.763049   |vec|=   15.266295
                3s
                   +0 :               0.00042177979516
                3p
                   -1 :              -0.00009952370606
                   +0 :               0.00015549481213
                   +1 :              -0.00026230670916
                4s
                   +0 :              -0.00080585282353
                5s
                   +0 :               0.00007219418590
                3d
                   -2 :               0.00035263269122
                   -1 :              -0.00025391309023
                   +0 :              -0.00002318504480
                   +1 :              -0.00037606591206
                   +2 :               0.00013514472369
                4d
                   -2 :              -0.00019869974599
                   -1 :               0.00014719955462
                   +0 :              -0.00000134809387
                   +1 :               0.00026632711077
                   +2 :              -0.00012532405824
                4p
                   -1 :               0.00013527500922
                   +0 :              -0.00027219566196
                   +1 :               0.00049554735785
              9 vec=     5.396321      3.115567    -14.784494   |vec|=   16.043949
                3s
                   +0 :               0.00012492539539
                3p
                   -1 :               0.00005096935139
                   +0 :              -0.00003721655691
                   +1 :              -0.00000324309278
                4s
                   +0 :              -0.00020589068379
                5s
                   +0 :               0.00000387146736
                3d
                   -2 :               0.00008294264850
                   -1 :              -0.00000801347325
                   +0 :               0.00001471615557
                   +1 :              -0.00005396894499
                   +2 :              -0.00000501218459
                4d
                   -2 :              -0.00002787696819
                   -1 :               0.00000764679987
                   +0 :               0.00002010660974
                   +1 :              -0.00002011512291
                   +2 :              -0.00004207070895
                4p
                   -1 :              -0.00007264294901
                   +0 :               0.00004678680009
                   +1 :               0.00003831366829
             10 vec=     5.396321     12.099325      9.763049   |vec|=   16.456946
                3s
                   +0 :              -0.00008257822598
                3p
                   -1 :              -0.00016553497417
                   +0 :              -0.00003064958642
                   +1 :               0.00001545867536
                4s
                   +0 :               0.00009113311668
                5s
                   +0 :              -0.00000714906526
                3d
                   -2 :              -0.00012679530194
                   -1 :              -0.00022352542207
                   +0 :               0.00005206429614
                   +1 :              -0.00000904510831
                   +2 :               0.00017513996348
                4d
                   -2 :               0.00006870547579
                   -1 :               0.00008153718541
                   +0 :               0.00001469799261
                   +1 :              -0.00002648993471
                   +2 :              -0.00003130144082
                4p
                   -1 :               0.00023560041653
                   +0 :               0.00004370124421
                   +1 :              -0.00004754840001
             11 vec=    13.176483     -1.376312      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00003306761612
                3p
                   -1 :               0.00000907537441
                   +0 :               0.00003686648867
                   +1 :               0.00005670337448
                4s
                   +0 :              -0.00004055587557
                5s
                   +0 :              -0.00000763698299
                3d
                   -2 :               0.00001023148164
                   -1 :               0.00004617739274
                   +0 :              -0.00001964255126
                   +1 :              -0.00002835731215
                   +2 :              -0.00000077703358
                4d
                   -2 :               0.00002176076398
                   -1 :               0.00000016184663
                   +0 :              -0.00001911212765
                   +1 :              -0.00004572787304
                   +2 :              -0.00000922102952
                4p
                   -1 :               0.00001210308637
                   +0 :              -0.00006809712966
                   +1 :              -0.00009411720651
             12 vec=    -2.383842      7.607446    -14.784494   |vec|=   16.796940
                3s
                   +0 :               0.00016441658110
                3p
                   -1 :              -0.00000502533749
                   +0 :              -0.00005658911010
                   +1 :              -0.00000224410168
                4s
                   +0 :              -0.00031047112844
                5s
                   +0 :               0.00000947891420
                3d
                   -2 :               0.00002069486824
                   -1 :              -0.00003891681919
                   +0 :               0.00003840926657
                   +1 :              -0.00005449769700
                   +2 :              -0.00000606461572
                4d
                   -2 :               0.00007317758368
                   -1 :               0.00003618052709
                   +0 :               0.00002953650276
                   +1 :              -0.00001975579333
                   +2 :              -0.00001500933005
                4p
                   -1 :              -0.00000432235644
                   +0 :               0.00008302079306
                   +1 :               0.00004318356446
             13 vec=     5.396321     -5.868191    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00003718225872
                3p
                   -1 :              -0.00000455499669
                   +0 :               0.00002455055284
                   +1 :              -0.00004051276194
                4s
                   +0 :              -0.00000123475185
                5s
                   +0 :               0.00001943465566
                3d
                   -2 :               0.00015582334828
                   -1 :              -0.00015241108296
                   +0 :              -0.00011110944963
                   +1 :              -0.00004009118945
                   +2 :               0.00008214860676
                4d
                   -2 :               0.00001479334114
                   -1 :              -0.00005492400461
                   +0 :              -0.00003451265321
                   +1 :              -0.00001095164559
                   +2 :               0.00000945455499
                4p
                   -1 :               0.00007602314923
                   +0 :               0.00006609397270
                   +1 :               0.00006202787718
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al(  4)  npairs=  14
              1 vec=    -2.383842     -1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.01401493606273
                2p
                   -1 :               0.00368854523462
                   +0 :              -0.01141949323121
                   +1 :               0.01384363460302
                3s
                   +0 :              -0.03859943396824
                4s
                   +0 :              -0.00708483385194
                3p
                   -1 :              -0.00715786220987
                   +0 :              -0.03180801714066
                   +1 :               0.02104676070259
                4p
                   -1 :               0.00330024461082
                   +0 :              -0.00551741794909
                   +1 :               0.00825987568662
                3d
                   -2 :              -0.00044818352888
                   -1 :              -0.00180773724909
                   +0 :              -0.01070897834943
                   +1 :               0.02866993523456
                   +2 :              -0.02148924891418
              2 vec=     5.396321      3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00419256960552
                2p
                   -1 :              -0.00040404694045
                   +0 :              -0.00139376333955
                   +1 :              -0.00290368215811
                3s
                   +0 :               0.01647437082731
                4s
                   +0 :              -0.00933063431811
                3p
                   -1 :               0.00051277037025
                   +0 :               0.00725068476824
                   +1 :               0.01198302900834
                4p
                   -1 :              -0.00100054694748
                   +0 :              -0.00296860905785
                   +1 :              -0.00489786753288
                3d
                   -2 :               0.00063639230271
                   -1 :              -0.00061394196202
                   +0 :               0.00080723676471
                   +1 :               0.00222473280530
                   +2 :              -0.00063616341117
              3 vec=    -2.383842      7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00117790853361
                2p
                   -1 :              -0.00084298194157
                   +0 :              -0.00058011542431
                   +1 :              -0.00054564321355
                3s
                   +0 :               0.00670847575512
                4s
                   +0 :               0.00104036461328
                3p
                   -1 :               0.00296346982638
                   +0 :               0.00764025474175
                   +1 :               0.00799791162081
                4p
                   -1 :               0.00089980105331
                   +0 :              -0.00047028110096
                   +1 :              -0.00254455121431
                3d
                   -2 :               0.00235199359745
                   -1 :               0.00126137618557
                   +0 :               0.00182629365918
                   +1 :               0.00175739042099
                   +2 :               0.00018103768309
              4 vec=     5.396321     -5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00035999557592
                2p
                   -1 :               0.00032743137289
                   +0 :               0.00011900031720
                   +1 :              -0.00053501397302
                3s
                   +0 :              -0.00265631558160
                4s
                   +0 :              -0.00051230653133
                3p
                   -1 :              -0.00279303377357
                   +0 :              -0.00464369416386
                   +1 :               0.00114803738493
                4p
                   -1 :               0.00048247253657
                   +0 :               0.00014919269759
                   +1 :              -0.00109903540835
                3d
                   -2 :              -0.00113282364968
                   -1 :              -0.00009867752057
                   +0 :              -0.00237262532533
                   +1 :              -0.00160810372530
                   +2 :              -0.00035565754465
              5 vec=   -10.164004      3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00026651909545
                2p
                   -1 :               0.00012828325030
                   +0 :               0.00000618800675
                   +1 :               0.00008831028876
                3s
                   +0 :              -0.00034146108796
                4s
                   +0 :               0.00036574488236
                3p
                   -1 :              -0.00054085107664
                   +0 :               0.00024603858797
                   +1 :              -0.00099102251765
                4p
                   -1 :               0.00014750677234
                   +0 :              -0.00004475194312
                   +1 :               0.00016326006132
                3d
                   -2 :               0.00008308697559
                   -1 :               0.00020252091092
                   +0 :               0.00002040650275
                   +1 :              -0.00008965319160
                   +2 :               0.00033699413874
              6 vec=    -2.383842    -10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00067728616591
                2p
                   -1 :               0.00028679999217
                   +0 :              -0.00002533285471
                   +1 :               0.00024748026807
                3s
                   +0 :               0.00051221959460
                4s
                   +0 :               0.00032305668194
                3p
                   -1 :               0.00029751595696
                   +0 :               0.00028096004953
                   +1 :              -0.00108752177510
                4p
                   -1 :              -0.00043189020110
                   +0 :               0.00000002921573
                   +1 :               0.00012428842906
                3d
                   -2 :               0.00005234281321
                   -1 :               0.00018119929882
                   +0 :              -0.00011325571712
                   +1 :              -0.00025799696977
                   +2 :               0.00021579061372
              7 vec=   -10.164004     -5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00025161688365
                2p
                   -1 :               0.00001958806916
                   +0 :              -0.00002213029464
                   +1 :               0.00007125599097
                3s
                   +0 :               0.00047207295384
                4s
                   +0 :              -0.00022835147044
                3p
                   -1 :               0.00007303827300
                   +0 :              -0.00020858735121
                   +1 :              -0.00021004239646
                4p
                   -1 :               0.00013986974100
                   +0 :              -0.00005182645518
                   +1 :               0.00000318236937
                3d
                   -2 :              -0.00041276347629
                   -1 :               0.00016452229056
                   +0 :              -0.00011889369139
                   +1 :               0.00003216291651
                   +2 :               0.00034283879285
              8 vec=     5.396321     12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00006431518942
                2p
                   -1 :               0.00019896134967
                   +0 :               0.00023678226627
                   +1 :              -0.00033643454169
                3s
                   +0 :               0.00050370042489
                4s
                   +0 :               0.00009966122086
                3p
                   -1 :              -0.00047253922862
                   +0 :              -0.00013467805422
                   +1 :               0.00163533807207
                4p
                   -1 :               0.00024475531010
                   +0 :               0.00005086490688
                   +1 :              -0.00048484443266
                3d
                   -2 :               0.00039855642829
                   -1 :               0.00007213099183
                   +0 :               0.00005790029909
                   +1 :              -0.00004408925954
                   +2 :               0.00019913852169
              9 vec=    13.176483     -1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00009064748094
                2p
                   -1 :              -0.00002190677796
                   +0 :               0.00008228448646
                   +1 :               0.00003762032558
                3s
                   +0 :              -0.00032941869256
                4s
                   +0 :               0.00015110464204
                3p
                   -1 :               0.00005372821611
                   +0 :              -0.00035109877032
                   +1 :              -0.00025500756365
                4p
                   -1 :               0.00002343138185
                   +0 :               0.00013348356500
                   +1 :               0.00010799827262
                3d
                   -2 :               0.00004318514978
                   -1 :              -0.00003308756877
                   +0 :               0.00001605019218
                   +1 :              -0.00013172397228
                   +2 :              -0.00008182504213
             10 vec=    13.176483      7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00002648751378
                2p
                   -1 :              -0.00000935701417
                   +0 :               0.00002322888360
                   +1 :               0.00001527986847
                3s
                   +0 :              -0.00000473688506
                4s
                   +0 :              -0.00002403879102
                3p
                   -1 :               0.00004232471230
                   +0 :              -0.00013820944074
                   +1 :               0.00001989585731
                4p
                   -1 :               0.00000011005012
                   +0 :               0.00005702258952
                   +1 :              -0.00004196025111
                3d
                   -2 :               0.00001803065015
                   -1 :              -0.00000066339734
                   +0 :               0.00002296401155
                   +1 :              -0.00002399719988
                   +2 :               0.00002948716911
             11 vec=   -10.164004     12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00000535585326
                2p
                   -1 :              -0.00003162045574
                   +0 :               0.00003522463971
                   +1 :               0.00003188571830
                3s
                   +0 :              -0.00000439669278
                4s
                   +0 :              -0.00010646871686
                3p
                   -1 :               0.00014724654944
                   +0 :              -0.00021188602966
                   +1 :              -0.00014603611294
                4p
                   -1 :              -0.00007759354875
                   +0 :               0.00004277835060
                   +1 :               0.00008182314474
                3d
                   -2 :              -0.00006621251168
                   -1 :              -0.00008341397588
                   +0 :              -0.00000127281671
                   +1 :              -0.00005826373567
                   +2 :              -0.00002565074287
             12 vec=     5.396321    -14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00001026922606
                2p
                   -1 :              -0.00003123008756
                   +0 :              -0.00005324354538
                   +1 :              -0.00002138793404
                3s
                   +0 :              -0.00013498407062
                4s
                   +0 :               0.00003029678574
                3p
                   -1 :               0.00014589535191
                   +0 :               0.00026949637864
                   +1 :               0.00015396194403
                4p
                   -1 :              -0.00005139557683
                   +0 :              -0.00006851717618
                   +1 :              -0.00004356438105
                3d
                   -2 :              -0.00002250882786
                   -1 :              -0.00004458856471
                   +0 :               0.00000023587854
                   +1 :               0.00000296060056
                   +2 :              -0.00000123651820
             13 vec=    -2.383842     16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00004838526558
                2p
                   -1 :              -0.00000908345778
                   +0 :               0.00000624197681
                   +1 :               0.00002359080827
                3s
                   +0 :               0.00030532763059
                4s
                   +0 :              -0.00013634124341
                3p
                   -1 :               0.00010662191173
                   +0 :               0.00005748121187
                   +1 :              -0.00009719921782
                4p
                   -1 :              -0.00005327104464
                   +0 :              -0.00002153844668
                   +1 :              -0.00000800032082
                3d
                   -2 :              -0.00001079764246
                   -1 :               0.00003016668424
                   +0 :               0.00001754320448
                   +1 :               0.00000462370343
                   +2 :              -0.00002391240155
             14 vec=    13.176483    -10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00005557382442
                2p
                   -1 :               0.00002749591356
                   +0 :              -0.00002395417713
                   +1 :              -0.00002067341624
                3s
                   +0 :               0.00012276569129
                4s
                   +0 :              -0.00005618028422
                3p
                   -1 :              -0.00010232392562
                   +0 :               0.00009471398404
                   +1 :               0.00010765551210
                4p
                   -1 :               0.00002541269583
                   +0 :              -0.00003393978010
                   +1 :              -0.00003563379845
                3d
                   -2 :               0.00000707185191
                   -1 :               0.00001282610345
                   +0 :              -0.00000139203327
                   +1 :               0.00002915421850
                   +2 :               0.00000799972011
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al(  5)  npairs=  14
              1 vec=     2.802933     -1.376312     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02108710772534
                2p
                   -1 :               0.00303470439898
                   +0 :               0.01257095043397
                   +1 :              -0.01995795061007
                3s
                   +0 :              -0.03508908158077
                4s
                   +0 :              -0.01156370538645
                3p
                   -1 :              -0.02890551959882
                   +0 :               0.02418717067812
                   +1 :              -0.03787814575050
                4p
                   -1 :               0.00626862050584
                   +0 :               0.00602750347295
                   +1 :              -0.01037828494900
                3d
                   -2 :              -0.00751457286784
                   -1 :               0.00313544406150
                   +0 :              -0.00370682909492
                   +1 :               0.02977649946626
                   +2 :              -0.03281421903978
              2 vec=    -4.977229      3.115567     -1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00152381787252
                2p
                   -1 :               0.00056546202311
                   +0 :               0.00139507333713
                   +1 :               0.00069906451818
                3s
                   +0 :              -0.00150042628877
                4s
                   +0 :              -0.00179278855605
                3p
                   -1 :              -0.00422229568089
                   +0 :              -0.00819864871980
                   +1 :              -0.00359057118905
                4p
                   -1 :               0.00185797478851
                   +0 :               0.00283268990644
                   +1 :               0.00157812663697
                3d
                   -2 :              -0.00398786514039
                   -1 :              -0.00139335499980
                   +0 :              -0.00178968301265
                   +1 :               0.00202085997839
                   +2 :               0.00108371886416
              3 vec=    -4.977229     -5.868191     -1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00013119518170
                2p
                   -1 :              -0.00028336081177
                   +0 :              -0.00057872002390
                   +1 :              -0.00033983306430
                3s
                   +0 :              -0.01477004424949
                4s
                   +0 :               0.00018468300665
                3p
                   -1 :               0.00181954335639
                   +0 :               0.01188358505991
                   +1 :               0.00973818152082
                4p
                   -1 :              -0.00015620502731
                   +0 :              -0.00090283886909
                   +1 :               0.00009396162046
                3d
                   -2 :              -0.00084361381721
                   -1 :              -0.00231373516859
                   +0 :              -0.00092439828885
                   +1 :              -0.00435488814886
                   +2 :              -0.00293998723736
              4 vec=     2.802933      7.607446     -1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00072806562198
                2p
                   -1 :               0.00023792264228
                   +0 :               0.00052629548448
                   +1 :               0.00125805781726
                3s
                   +0 :               0.00851056294589
                4s
                   +0 :              -0.00163435234113
                3p
                   -1 :               0.00101261467663
                   +0 :              -0.00769548812174
                   +1 :              -0.01134645713506
                4p
                   -1 :              -0.00016532545928
                   +0 :               0.00119676810070
                   +1 :               0.00174774966305
                3d
                   -2 :              -0.00393559070241
                   -1 :              -0.00209359405590
                   +0 :               0.00124790527010
                   +1 :               0.00297921915334
                   +2 :               0.00110067069230
              5 vec=     2.802933    -10.360070     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00036278828916
                2p
                   -1 :              -0.00017341478295
                   +0 :               0.00001816892690
                   +1 :               0.00043632567731
                3s
                   +0 :              -0.00237469936740
                4s
                   +0 :               0.00037767626367
                3p
                   -1 :               0.00124061022137
                   +0 :               0.00062887011497
                   +1 :              -0.00246533717432
                4p
                   -1 :              -0.00018188683839
                   +0 :              -0.00004728823945
                   +1 :               0.00045286717170
                3d
                   -2 :               0.00077762349406
                   -1 :              -0.00024391202869
                   +0 :               0.00018179029300
                   +1 :               0.00018524506187
                   +2 :              -0.00007075649663
              6 vec=    10.583096      3.115567     -1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00056865178500
                2p
                   -1 :              -0.00006540198445
                   +0 :              -0.00016051896601
                   +1 :              -0.00010412812449
                3s
                   +0 :               0.00334494860955
                4s
                   +0 :              -0.00037830010953
                3p
                   -1 :              -0.00012630634891
                   +0 :               0.00000878186369
                   +1 :               0.00166140193351
                4p
                   -1 :              -0.00010932749530
                   +0 :              -0.00007795684103
                   +1 :              -0.00000811921826
                3d
                   -2 :              -0.00016194651209
                   -1 :               0.00050064878800
                   +0 :               0.00019802660727
                   +1 :              -0.00015294521312
                   +2 :               0.00051778643966
              7 vec=    10.583096     -5.868191     -1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00009515409070
                2p
                   -1 :               0.00014780616893
                   +0 :               0.00013644042135
                   +1 :              -0.00002065499352
                3s
                   +0 :              -0.00022404965298
                4s
                   +0 :              -0.00007026882793
                3p
                   -1 :              -0.00027042923764
                   +0 :              -0.00027725350878
                   +1 :              -0.00018142686306
                4p
                   -1 :               0.00022172247204
                   +0 :               0.00012133056883
                   +1 :               0.00007613396879
                3d
                   -2 :               0.00008455026834
                   -1 :              -0.00003931417887
                   +0 :               0.00000466729005
                   +1 :              -0.00007785587365
                   +2 :               0.00017050716944
              8 vec=   -12.757392     -1.376312     -1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00021463418593
                2p
                   -1 :               0.00003898850472
                   +0 :              -0.00003879930880
                   +1 :               0.00002312520319
                3s
                   +0 :              -0.00056520713470
                4s
                   +0 :               0.00007951998493
                3p
                   -1 :              -0.00019443568615
                   +0 :               0.00038343048792
                   +1 :              -0.00020762978885
                4p
                   -1 :               0.00009314503227
                   +0 :              -0.00012387271903
                   +1 :               0.00012111446260
                3d
                   -2 :               0.00011359564765
                   -1 :              -0.00012367617699
                   +0 :               0.00005560734883
                   +1 :              -0.00005354242138
                   +2 :               0.00011216274062
              9 vec=    -4.977229     12.099325     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00018281839192
                2p
                   -1 :               0.00008903539311
                   +0 :               0.00010383175236
                   +1 :               0.00013147768026
                3s
                   +0 :               0.00287585261108
                4s
                   +0 :              -0.00009678871682
                3p
                   -1 :               0.00124446081210
                   +0 :              -0.00237879837444
                   +1 :              -0.00006539348656
                4p
                   -1 :               0.00018735942053
                   +0 :               0.00037062835053
                   +1 :               0.00006741909057
                3d
                   -2 :               0.00018213373483
                   -1 :              -0.00104615255447
                   +0 :               0.00025180294274
                   +1 :              -0.00000053675028
                   +2 :              -0.00034142198146
             10 vec=   -12.757392      7.607446     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00006912857474
                2p
                   -1 :               0.00001021268511
                   +0 :              -0.00001045364751
                   +1 :              -0.00003368921630
                3s
                   +0 :               0.00028276290106
                4s
                   +0 :               0.00002665966177
                3p
                   -1 :              -0.00018772095759
                   +0 :              -0.00002990408536
                   +1 :               0.00020436852753
                4p
                   -1 :               0.00003418339192
                   +0 :              -0.00003221495372
                   +1 :              -0.00011300033734
                3d
                   -2 :               0.00004222731667
                   -1 :               0.00009047606334
                   +0 :               0.00002362721942
                   +1 :               0.00001488488661
                   +2 :              -0.00005048644480
             11 vec=    -4.977229    -14.851949     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00012480716936
                2p
                   -1 :              -0.00006993134548
                   +0 :              -0.00002997981581
                   +1 :              -0.00000771406229
                3s
                   +0 :              -0.00044138627578
                4s
                   +0 :               0.00017235690122
                3p
                   -1 :               0.00043673358900
                   +0 :               0.00022461118399
                   +1 :               0.00000628239832
                4p
                   -1 :              -0.00011262883451
                   +0 :              -0.00006406673461
                   +1 :               0.00000405220596
                3d
                   -2 :               0.00000418626788
                   -1 :              -0.00004851186763
                   +0 :               0.00008014603357
                   +1 :              -0.00000521110545
                   +2 :               0.00012613678681
             12 vec=    10.583096     12.099325     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00001230509647
                2p
                   -1 :               0.00000099798035
                   +0 :              -0.00000619294480
                   +1 :               0.00002954215898
                3s
                   +0 :              -0.00006831141888
                4s
                   +0 :               0.00011125691917
                3p
                   -1 :              -0.00013994590224
                   +0 :               0.00004625601994
                   +1 :              -0.00026577763617
                4p
                   -1 :               0.00007351678855
                   +0 :              -0.00003520945869
                   +1 :               0.00015348103810
                3d
                   -2 :               0.00001970162062
                   -1 :              -0.00001239646188
                   +0 :              -0.00004226277658
                   +1 :              -0.00001493829944
                   +2 :              -0.00006453812580
             13 vec=   -12.757392    -10.360070     -1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00001584970640
                2p
                   -1 :              -0.00000885492896
                   +0 :              -0.00002414921236
                   +1 :              -0.00000478112314
                3s
                   +0 :               0.00003325743533
                4s
                   +0 :              -0.00000338649371
                3p
                   -1 :              -0.00001781895866
                   +0 :               0.00008427955639
                   +1 :              -0.00009443250861
                4p
                   -1 :               0.00000561297292
                   +0 :              -0.00002240424352
                   +1 :               0.00000843727582
                3d
                   -2 :               0.00000754763249
                   -1 :              -0.00000094211305
                   +0 :              -0.00000482001635
                   +1 :              -0.00000294179411
                   +2 :               0.00001688339218
             14 vec=     2.802933     16.591204     -1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00000078936052
                2p
                   -1 :              -0.00000111784916
                   +0 :              -0.00001593150221
                   +1 :               0.00001293212952
                3s
                   +0 :               0.00028411811749
                4s
                   +0 :              -0.00011364850943
                3p
                   -1 :               0.00019111503454
                   +0 :              -0.00005770097390
                   +1 :              -0.00006569005034
                4p
                   -1 :              -0.00007403797945
                   +0 :               0.00000065282984
                   +1 :               0.00003054575572
                3d
                   -2 :              -0.00001983332386
                   -1 :              -0.00003516226026
                   +0 :               0.00000322587096
                   +1 :               0.00000120103342
                   +2 :              -0.00000805144832
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al(  6)  npairs=  14
              1 vec=     2.802933     -1.376312      5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00146364350990
                2p
                   -1 :               0.00054594444003
                   +0 :               0.00119368401911
                   +1 :               0.00068133722066
                3s
                   +0 :              -0.00455076493753
                4s
                   +0 :               0.00388541226524
                3p
                   -1 :              -0.00224080045197
                   +0 :              -0.00904939857672
                   +1 :              -0.00392178530614
                4p
                   -1 :               0.00003775119176
                   +0 :               0.00369842559666
                   +1 :               0.00151761774032
                3d
                   -2 :               0.00159325229592
                   -1 :               0.00222638807073
                   +0 :              -0.00198878229520
                   +1 :               0.00005717859413
                   +2 :               0.00005624964852
              2 vec=    -4.977229      3.115567      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00052613847369
                2p
                   -1 :              -0.00067752351374
                   +0 :               0.00024730905754
                   +1 :              -0.00043552447262
                3s
                   +0 :               0.00278010174163
                4s
                   +0 :              -0.00072448479722
                3p
                   -1 :               0.00616178569038
                   +0 :              -0.00249152435175
                   +1 :               0.00014134810557
                4p
                   -1 :              -0.00112456733790
                   +0 :               0.00036650144011
                   +1 :              -0.00051250951112
                3d
                   -2 :              -0.00156202039053
                   -1 :               0.00037167933806
                   +0 :              -0.00149950977820
                   +1 :               0.00126853260752
                   +2 :              -0.00033532832098
              3 vec=    -4.977229     -5.868191      5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00067406384593
                2p
                   -1 :               0.00066907918788
                   +0 :              -0.00057575331832
                   +1 :              -0.00051852513909
                3s
                   +0 :               0.00167187957507
                4s
                   +0 :              -0.00043254167831
                3p
                   -1 :              -0.00316069546299
                   +0 :               0.00158540035168
                   +1 :               0.00241200094034
                4p
                   -1 :               0.00060154737485
                   +0 :              -0.00030826319113
                   +1 :              -0.00046805688961
                3d
                   -2 :              -0.00022705151444
                   -1 :              -0.00045896119522
                   +0 :              -0.00042533264606
                   +1 :               0.00036595805464
                   +2 :              -0.00034964329841
              4 vec=     2.802933      7.607446      5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00207055465822
                2p
                   -1 :               0.00013099952714
                   +0 :              -0.00022646884989
                   +1 :               0.00178981522123
                3s
                   +0 :              -0.00549046512234
                4s
                   +0 :               0.00132907354364
                3p
                   -1 :               0.00009143842252
                   +0 :               0.00259642445644
                   +1 :              -0.00802592036946
                4p
                   -1 :              -0.00018327544251
                   +0 :              -0.00139332790616
                   +1 :               0.00142215203534
                3d
                   -2 :              -0.00073842629601
                   -1 :               0.00061432227573
                   +0 :               0.00095739913164
                   +1 :              -0.00046543574777
                   +2 :              -0.00104100335926
              5 vec=     2.802933    -10.360070      5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00033914170027
                2p
                   -1 :               0.00029657115722
                   +0 :              -0.00016362255427
                   +1 :              -0.00001000958969
                3s
                   +0 :               0.00107626484385
                4s
                   +0 :              -0.00056829666744
                3p
                   -1 :              -0.00145326941065
                   +0 :               0.00028642766995
                   +1 :               0.00024756070170
                4p
                   -1 :               0.00048759313628
                   +0 :              -0.00015365875745
                   +1 :              -0.00007843722721
                3d
                   -2 :              -0.00005103197254
                   -1 :              -0.00012594954760
                   +0 :              -0.00008333197188
                   +1 :              -0.00000716636515
                   +2 :              -0.00012440334171
              6 vec=    10.583096      3.115567      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00018932317665
                2p
                   -1 :               0.00012552657363
                   +0 :               0.00009064925076
                   +1 :               0.00016312710036
                3s
                   +0 :              -0.00047688039839
                4s
                   +0 :               0.00006368181898
                3p
                   -1 :              -0.00035525032688
                   +0 :              -0.00018795941631
                   +1 :              -0.00066267959801
                4p
                   -1 :               0.00006018289011
                   +0 :              -0.00002581807753
                   +1 :               0.00005780047603
                3d
                   -2 :              -0.00014236496697
                   -1 :              -0.00005094230674
                   +0 :               0.00003118317739
                   +1 :              -0.00021282374387
                   +2 :              -0.00028204502288
              7 vec=    10.583096     -5.868191      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00010868716449
                2p
                   -1 :              -0.00000252622447
                   +0 :               0.00005017345718
                   +1 :              -0.00004688473121
                3s
                   +0 :               0.00031702899207
                4s
                   +0 :              -0.00014810287527
                3p
                   -1 :              -0.00005004037933
                   +0 :              -0.00011838794496
                   +1 :               0.00024397615512
                4p
                   -1 :               0.00004653827346
                   +0 :              -0.00000787178774
                   +1 :              -0.00010349515875
                3d
                   -2 :              -0.00002173663011
                   -1 :              -0.00006455130360
                   +0 :              -0.00005184377176
                   +1 :              -0.00010201061301
                   +2 :              -0.00007814137718
              8 vec=   -12.757392     -1.376312      5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00042398409170
                2p
                   -1 :              -0.00014523696872
                   +0 :              -0.00008462816608
                   +1 :               0.00010155461534
                3s
                   +0 :               0.00113787408846
                4s
                   +0 :              -0.00020723008554
                3p
                   -1 :               0.00067744541570
                   +0 :               0.00035948108514
                   +1 :              -0.00023842808425
                4p
                   -1 :              -0.00018289326766
                   +0 :              -0.00012626248401
                   +1 :              -0.00006582434906
                3d
                   -2 :              -0.00013328414611
                   -1 :               0.00020324238432
                   +0 :              -0.00000139485992
                   +1 :              -0.00004643967720
                   +2 :               0.00002153594136
              9 vec=    -4.977229     12.099325      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00001314826794
                2p
                   -1 :               0.00010628514504
                   +0 :               0.00008960783511
                   +1 :              -0.00000535615184
                3s
                   +0 :              -0.00006684654540
                4s
                   +0 :               0.00013103879491
                3p
                   -1 :              -0.00067402766802
                   +0 :              -0.00032367782319
                   +1 :               0.00005412657550
                4p
                   -1 :               0.00021267449275
                   +0 :               0.00006334873927
                   +1 :              -0.00003616856747
                3d
                   -2 :               0.00007905078757
                   -1 :              -0.00016883810802
                   +0 :               0.00012954358886
                   +1 :              -0.00009625192595
                   +2 :               0.00001901366077
             10 vec=   -12.757392      7.607446      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00018956531143
                2p
                   -1 :               0.00008432943521
                   +0 :               0.00003753974713
                   +1 :              -0.00010191830553
                3s
                   +0 :              -0.00060985877723
                4s
                   +0 :               0.00015563809933
                3p
                   -1 :              -0.00044809660937
                   +0 :              -0.00009472562816
                   +1 :               0.00054423489475
                4p
                   -1 :               0.00008949118696
                   +0 :              -0.00000434375262
                   +1 :              -0.00011523392580
                3d
                   -2 :               0.00012935494006
                   -1 :              -0.00006285275361
                   +0 :               0.00007588310337
                   +1 :               0.00003759734455
                   +2 :              -0.00007410138714
             11 vec=    -4.977229    -14.851949      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00007846318521
                2p
                   -1 :               0.00002776175941
                   +0 :              -0.00002145543715
                   +1 :               0.00001577653338
                3s
                   +0 :               0.00003323458307
                4s
                   +0 :              -0.00003450641003
                3p
                   -1 :               0.00001843291965
                   +0 :               0.00007890082193
                   +1 :              -0.00007729674276
                4p
                   -1 :               0.00000058358603
                   +0 :              -0.00000821755010
                   +1 :               0.00002884412527
                3d
                   -2 :               0.00001076665481
                   -1 :              -0.00005039359707
                   +0 :               0.00001601800509
                   +1 :              -0.00001494588765
                   +2 :              -0.00000762671282
             12 vec=    10.583096     12.099325      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00013781150170
                2p
                   -1 :               0.00005373661539
                   +0 :               0.00005290381230
                   +1 :               0.00008374890757
                3s
                   +0 :              -0.00050383600950
                4s
                   +0 :               0.00017768996707
                3p
                   -1 :              -0.00032738360710
                   +0 :              -0.00025451435342
                   +1 :              -0.00043952525815
                4p
                   -1 :               0.00009878837271
                   +0 :               0.00005761685640
                   +1 :               0.00009441167359
                3d
                   -2 :              -0.00008377391196
                   -1 :              -0.00006385458361
                   +0 :              -0.00000676253363
                   +1 :              -0.00013139671950
                   +2 :              -0.00006988464176
             13 vec=   -12.757392    -10.360070      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00000542689836
                2p
                   -1 :              -0.00003703533837
                   +0 :              -0.00000835247301
                   +1 :               0.00000359129875
                3s
                   +0 :              -0.00001594360880
                4s
                   +0 :              -0.00000076667312
                3p
                   -1 :               0.00017712418313
                   +0 :               0.00000965032096
                   +1 :              -0.00002790024306
                4p
                   -1 :              -0.00005583087494
                   +0 :               0.00001788982188
                   +1 :               0.00001193100630
                3d
                   -2 :              -0.00002263269432
                   -1 :               0.00001107010165
                   +0 :              -0.00000385753887
                   +1 :               0.00000509633483
                   +2 :               0.00000654505740
             14 vec=     2.802933     16.591204      5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00001464034971
                2p
                   -1 :               0.00001043409550
                   +0 :              -0.00002560364649
                   +1 :               0.00001826640975
                3s
                   +0 :               0.00007508055217
                4s
                   +0 :              -0.00003814460445
                3p
                   -1 :               0.00003066353974
                   +0 :               0.00006202010848
                   +1 :               0.00000466074497
                4p
                   -1 :              -0.00001532825138
                   +0 :               0.00002085397657
                   +1 :              -0.00003133996439
                3d
                   -2 :              -0.00005981518616
                   -1 :               0.00001834966175
                   +0 :              -0.00000859489746
                   +1 :              -0.00004794710919
                   +2 :               0.00002373705144
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al(  7)  npairs=  13
              1 vec=     2.802933     -1.376312     -6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00182292921895
                2p
                   -1 :               0.00046871158191
                   +0 :               0.00024801735089
                   +1 :              -0.00018117966887
                3s
                   +0 :               0.00619994234076
                4s
                   +0 :              -0.00167745624702
                3p
                   -1 :              -0.00606025404234
                   +0 :              -0.00309131217059
                   +1 :              -0.00319286041994
                4p
                   -1 :               0.00008860728453
                   +0 :               0.00024159286501
                   +1 :               0.00076908214931
                3d
                   -2 :              -0.00057637626008
                   -1 :               0.00222221110328
                   +0 :               0.00072512917603
                   +1 :               0.00006465642411
                   +2 :              -0.00151863481554
              2 vec=    -4.977229      3.115567     -6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00146242094647
                2p
                   -1 :              -0.00075590494535
                   +0 :               0.00015410635755
                   +1 :              -0.00009768741939
                3s
                   +0 :               0.01334619921266
                4s
                   +0 :              -0.00316937549351
                3p
                   -1 :               0.00735146957172
                   +0 :              -0.00602158770934
                   +1 :              -0.00377252000812
                4p
                   -1 :              -0.00182229991696
                   +0 :               0.00088227851489
                   +1 :              -0.00004492381557
                3d
                   -2 :              -0.00213075265737
                   -1 :              -0.00170286494006
                   +0 :               0.00045036469477
                   +1 :               0.00151909369063
                   +2 :              -0.00013308272088
              3 vec=    -4.977229     -5.868191     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00052133754672
                2p
                   -1 :               0.00004780275389
                   +0 :               0.00045649057797
                   +1 :              -0.00009589035237
                3s
                   +0 :               0.00090232866862
                4s
                   +0 :              -0.00022739737446
                3p
                   -1 :              -0.00021207076739
                   +0 :              -0.00242524482827
                   +1 :               0.00138768767196
                4p
                   -1 :              -0.00019910449337
                   +0 :               0.00045350118013
                   +1 :              -0.00026030663022
                3d
                   -2 :              -0.00014767278856
                   -1 :               0.00042373112137
                   +0 :              -0.00002305326791
                   +1 :              -0.00005120698946
                   +2 :              -0.00014670183143
              4 vec=     2.802933      7.607446     -6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00151436773915
                2p
                   -1 :              -0.00042470950983
                   +0 :               0.00033850812888
                   +1 :              -0.00036385506811
                3s
                   +0 :               0.00627242448728
                4s
                   +0 :              -0.00204316524389
                3p
                   -1 :               0.00276328877402
                   +0 :              -0.00251392310242
                   +1 :               0.00182079889841
                4p
                   -1 :              -0.00067982426932
                   +0 :               0.00067674573527
                   +1 :              -0.00053232326861
                3d
                   -2 :               0.00058907767534
                   -1 :              -0.00031263711825
                   +0 :               0.00025290191393
                   +1 :              -0.00056832094057
                   +2 :              -0.00007406887173
              5 vec=     2.802933    -10.360070     -6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00041034791222
                2p
                   -1 :               0.00032726810686
                   +0 :               0.00019082886517
                   +1 :               0.00004047909071
                3s
                   +0 :               0.00083001233089
                4s
                   +0 :              -0.00039950205418
                3p
                   -1 :              -0.00131468724199
                   +0 :              -0.00062834724213
                   +1 :              -0.00013380279189
                4p
                   -1 :               0.00040256528265
                   +0 :               0.00024124410911
                   +1 :               0.00003065048322
                3d
                   -2 :               0.00009264229294
                   -1 :               0.00015072298351
                   +0 :              -0.00005230330907
                   +1 :               0.00006236944131
                   +2 :              -0.00005072056457
              6 vec=    10.583096      3.115567     -6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00002885177753
                2p
                   -1 :              -0.00002451944569
                   +0 :               0.00017558124138
                   +1 :              -0.00003176901859
                3s
                   +0 :               0.00014653391745
                4s
                   +0 :              -0.00007252974984
                3p
                   -1 :              -0.00001520885950
                   +0 :              -0.00081650452543
                   +1 :               0.00005440373885
                4p
                   -1 :               0.00007337966575
                   +0 :               0.00018553286110
                   +1 :              -0.00001325172228
                3d
                   -2 :              -0.00011286834970
                   -1 :              -0.00007793565563
                   +0 :               0.00023763556003
                   +1 :              -0.00019078483719
                   +2 :              -0.00000559069679
              7 vec=    10.583096     -5.868191     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00000265418312
                2p
                   -1 :               0.00012193683607
                   +0 :              -0.00001861319359
                   +1 :               0.00014664223503
                3s
                   +0 :              -0.00022614036294
                4s
                   +0 :               0.00021458777732
                3p
                   -1 :              -0.00033992541265
                   +0 :               0.00015778726232
                   +1 :              -0.00086416001466
                4p
                   -1 :              -0.00002260521743
                   +0 :              -0.00007655858314
                   +1 :               0.00032653836236
                3d
                   -2 :               0.00009203697833
                   -1 :               0.00009667674636
                   +0 :               0.00007064952319
                   +1 :               0.00008813177660
                   +2 :               0.00003827382745
              8 vec=   -12.757392     -1.376312     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00000999662639
                2p
                   -1 :              -0.00006648142110
                   +0 :              -0.00002221650238
                   +1 :              -0.00001767808621
                3s
                   +0 :              -0.00021951139799
                4s
                   +0 :               0.00019506572616
                3p
                   -1 :               0.00028970063710
                   +0 :               0.00020466756892
                   +1 :               0.00039384567053
                4p
                   -1 :              -0.00009068638363
                   +0 :              -0.00008002382547
                   +1 :              -0.00021524700276
                3d
                   -2 :              -0.00004820397490
                   -1 :              -0.00005865323274
                   +0 :               0.00001529171913
                   +1 :               0.00000200830429
                   +2 :              -0.00012375425233
              9 vec=    -4.977229     12.099325     -6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00013812222568
                2p
                   -1 :               0.00003555122762
                   +0 :              -0.00002225043781
                   +1 :              -0.00004710607292
                3s
                   +0 :              -0.00024600682305
                4s
                   +0 :              -0.00003220681578
                3p
                   -1 :              -0.00009008161772
                   +0 :              -0.00002877169259
                   +1 :               0.00033445017450
                4p
                   -1 :              -0.00002399388794
                   +0 :               0.00006613013699
                   +1 :              -0.00007987201636
                3d
                   -2 :               0.00004028608234
                   -1 :               0.00004868910355
                   +0 :               0.00009759367321
                   +1 :              -0.00005171392650
                   +2 :              -0.00010646263629
             10 vec=   -12.757392      7.607446     -6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00010493571290
                2p
                   -1 :              -0.00004347465250
                   +0 :               0.00001718323975
                   +1 :               0.00001379851444
                3s
                   +0 :               0.00032577523141
                4s
                   +0 :              -0.00006769556285
                3p
                   -1 :               0.00019894384110
                   +0 :              -0.00007753462722
                   +1 :              -0.00001183176267
                4p
                   -1 :              -0.00003609093722
                   +0 :               0.00003268337595
                   +1 :              -0.00002052239096
                3d
                   -2 :              -0.00004085919505
                   -1 :              -0.00000213707563
                   +0 :               0.00002056750484
                   +1 :               0.00000312983403
                   +2 :              -0.00005675729384
             11 vec=    -4.977229    -14.851949     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00009352716430
                2p
                   -1 :              -0.00003684568177
                   +0 :              -0.00003093298007
                   +1 :               0.00001060781006
                3s
                   +0 :              -0.00055319579317
                4s
                   +0 :               0.00012623784792
                3p
                   -1 :               0.00029179645824
                   +0 :               0.00027823525168
                   +1 :              -0.00004696240250
                4p
                   -1 :              -0.00003400212915
                   +0 :              -0.00004530684248
                   +1 :               0.00000470070251
                3d
                   -2 :               0.00000841587728
                   -1 :              -0.00007064636123
                   +0 :              -0.00002332937991
                   +1 :              -0.00000315725430
                   +2 :               0.00004631758121
             12 vec=    10.583096     12.099325     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00001229078267
                2p
                   -1 :               0.00002834740047
                   +0 :              -0.00001830196078
                   +1 :               0.00001039445157
                3s
                   +0 :               0.00007464809243
                4s
                   +0 :               0.00000575911725
                3p
                   -1 :              -0.00012097499399
                   +0 :               0.00004429584880
                   +1 :               0.00001423224506
                4p
                   -1 :               0.00003752190229
                   +0 :              -0.00002253507729
                   +1 :               0.00000118389881
                3d
                   -2 :               0.00001937995221
                   -1 :               0.00001789924666
                   +0 :              -0.00000220259791
                   +1 :               0.00001255824462
                   +2 :               0.00001678957661
             13 vec=   -12.757392    -10.360070     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00001504243836
                2p
                   -1 :               0.00002720552070
                   +0 :               0.00000073301827
                   +1 :              -0.00000503696864
                3s
                   +0 :              -0.00006533530283
                4s
                   +0 :               0.00001030603267
                3p
                   -1 :              -0.00013324609893
                   +0 :              -0.00000309436551
                   +1 :              -0.00000986042504
                4p
                   -1 :               0.00003242709043
                   +0 :               0.00000327228789
                   +1 :               0.00001804316177
                3d
                   -2 :               0.00000192687193
                   -1 :               0.00001948707259
                   +0 :              -0.00001978032415
                   +1 :              -0.00000101386189
                   +2 :               0.00001280340491
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al(  8)  npairs=  15
              1 vec=     2.802933     -1.376312     10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00054805899003
                2p
                   -1 :               0.00003454690726
                   +0 :              -0.00014316994813
                   +1 :               0.00031542365079
                3s
                   +0 :               0.00174792853914
                4s
                   +0 :              -0.00043885808944
                3p
                   -1 :              -0.00103701218853
                   +0 :               0.00055807877315
                   +1 :              -0.00109332425348
                4p
                   -1 :               0.00006084004957
                   +0 :              -0.00000641859810
                   +1 :               0.00034652513086
                3d
                   -2 :              -0.00003946074397
                   -1 :              -0.00026706806214
                   +0 :              -0.00028808257484
                   +1 :              -0.00003321074599
                   +2 :               0.00026461080545
              2 vec=    -4.977229      3.115567     10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00038181071304
                2p
                   -1 :              -0.00037238063928
                   +0 :              -0.00008466229948
                   +1 :              -0.00006899975180
                3s
                   +0 :               0.00142518275258
                4s
                   +0 :              -0.00022909544745
                3p
                   -1 :               0.00190547112291
                   +0 :               0.00022691221408
                   +1 :               0.00047110758937
                4p
                   -1 :              -0.00038476240004
                   +0 :              -0.00000721820700
                   +1 :              -0.00015289317802
                3d
                   -2 :              -0.00000415918654
                   -1 :               0.00041929150571
                   +0 :              -0.00028663904772
                   +1 :               0.00016500379450
                   +2 :              -0.00015787497475
              3 vec=    -4.977229     -5.868191     10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00007396346475
                2p
                   -1 :               0.00006292191606
                   +0 :              -0.00001007287076
                   +1 :               0.00010440900231
                3s
                   +0 :              -0.00149431709051
                4s
                   +0 :               0.00012720066490
                3p
                   -1 :               0.00030145640130
                   +0 :              -0.00081588113293
                   +1 :               0.00025886347465
                4p
                   -1 :              -0.00000515133189
                   +0 :               0.00000774495088
                   +1 :               0.00008514835021
                3d
                   -2 :              -0.00009227562994
                   -1 :               0.00017000447882
                   +0 :              -0.00008760103588
                   +1 :               0.00018493247443
                   +2 :               0.00001208729911
              4 vec=     2.802933      7.607446     10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00012181044876
                2p
                   -1 :              -0.00019859340447
                   +0 :               0.00004355586602
                   +1 :               0.00009947461891
                3s
                   +0 :               0.00055963155627
                4s
                   +0 :              -0.00023625582600
                3p
                   -1 :               0.00139505219091
                   +0 :               0.00049547058078
                   +1 :              -0.00036342606707
                4p
                   -1 :              -0.00031580027512
                   +0 :              -0.00021426948626
                   +1 :               0.00000315597631
                3d
                   -2 :              -0.00000522561080
                   -1 :               0.00029765035015
                   +0 :               0.00025996789410
                   +1 :              -0.00022964413538
                   +2 :              -0.00009765924905
              5 vec=     2.802933     -1.376312    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00002721837759
                2p
                   -1 :               0.00006723122476
                   +0 :              -0.00004106995711
                   +1 :              -0.00000079819405
                3s
                   +0 :              -0.00003975235289
                4s
                   +0 :               0.00001645457390
                3p
                   -1 :              -0.00032419612934
                   +0 :               0.00026037647220
                   +1 :               0.00005094725228
                4p
                   -1 :               0.00010816599094
                   +0 :              -0.00009352152557
                   +1 :              -0.00003414559341
                3d
                   -2 :               0.00001718431397
                   -1 :              -0.00003922519322
                   +0 :              -0.00003376521543
                   +1 :              -0.00000570854172
                   +2 :              -0.00000396082218
              6 vec=    -4.977229      3.115567    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00002614880866
                2p
                   -1 :              -0.00003766884437
                   +0 :              -0.00002806654921
                   +1 :               0.00003530064178
                3s
                   +0 :              -0.00011487714674
                4s
                   +0 :               0.00000077975146
                3p
                   -1 :               0.00009076493822
                   +0 :               0.00018334924603
                   +1 :              -0.00013387716231
                4p
                   -1 :              -0.00001689486420
                   +0 :              -0.00003064650098
                   +1 :               0.00004636865412
                3d
                   -2 :               0.00003475536107
                   -1 :               0.00002670678570
                   +0 :              -0.00003160540289
                   +1 :              -0.00000939881755
                   +2 :               0.00004247936305
              7 vec=     2.802933    -10.360070     10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00000305525717
                2p
                   -1 :              -0.00001464525163
                   +0 :              -0.00003279390069
                   +1 :              -0.00006045782529
                3s
                   +0 :              -0.00030997261198
                4s
                   +0 :               0.00007621032915
                3p
                   -1 :               0.00013125480343
                   +0 :               0.00007364867524
                   +1 :               0.00009959505233
                4p
                   -1 :              -0.00004030628926
                   +0 :              -0.00001805990354
                   +1 :              -0.00004648063971
                3d
                   -2 :               0.00005232378061
                   -1 :              -0.00002116250387
                   +0 :               0.00000520596851
                   +1 :               0.00000423781128
                   +2 :              -0.00002487435928
              8 vec=    10.583096      3.115567     10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00009384663433
                2p
                   -1 :               0.00003126050208
                   +0 :               0.00003373413297
                   +1 :               0.00001891939880
                3s
                   +0 :              -0.00024550523053
                4s
                   +0 :               0.00009693023490
                3p
                   -1 :              -0.00024069171127
                   +0 :              -0.00012142302008
                   +1 :              -0.00000165541482
                4p
                   -1 :               0.00003500164029
                   +0 :               0.00004551542459
                   +1 :               0.00001024012704
                3d
                   -2 :              -0.00003655521342
                   -1 :              -0.00004499417948
                   +0 :              -0.00002436361808
                   +1 :               0.00000867233146
                   +2 :               0.00002459886728
              9 vec=    -4.977229     -5.868191    -13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00005561632731
                2p
                   -1 :               0.00001201124999
                   +0 :              -0.00004053690961
                   +1 :               0.00000327339946
                3s
                   +0 :               0.00019501397465
                4s
                   +0 :               0.00001527227310
                3p
                   -1 :              -0.00015780030990
                   +0 :               0.00027501358659
                   +1 :              -0.00002609638199
                4p
                   -1 :              -0.00000014250847
                   +0 :              -0.00012250110654
                   +1 :              -0.00000462897428
                3d
                   -2 :               0.00004375936736
                   -1 :              -0.00001741267391
                   +0 :              -0.00009511317021
                   +1 :              -0.00002761915881
                   +2 :              -0.00005314459319
             10 vec=     2.802933      7.607446    -13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00005041562902
                2p
                   -1 :               0.00001834347236
                   +0 :              -0.00003766557762
                   +1 :              -0.00003139725644
                3s
                   +0 :               0.00000665255077
                4s
                   +0 :              -0.00000801455410
                3p
                   -1 :              -0.00000661076768
                   +0 :               0.00013086844900
                   +1 :               0.00024490121598
                4p
                   -1 :              -0.00000999159552
                   +0 :              -0.00000645802169
                   +1 :              -0.00002136631363
                3d
                   -2 :               0.00006891205876
                   -1 :               0.00000286586430
                   +0 :              -0.00004082207852
                   +1 :               0.00004804693752
                   +2 :               0.00000826723456
             11 vec=    10.583096     -5.868191     10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00017978118692
                2p
                   -1 :               0.00003995963740
                   +0 :              -0.00008486301577
                   +1 :              -0.00006870375278
                3s
                   +0 :               0.00064685820515
                4s
                   +0 :              -0.00024510932459
                3p
                   -1 :              -0.00012888872344
                   +0 :               0.00040785773670
                   +1 :               0.00036936476493
                4p
                   -1 :               0.00003142025903
                   +0 :              -0.00013752814233
                   +1 :              -0.00008586389874
                3d
                   -2 :               0.00002753455633
                   -1 :              -0.00003983741778
                   +0 :               0.00007892134474
                   +1 :               0.00011034080482
                   +2 :               0.00002950639756
             12 vec=   -12.757392     -1.376312     10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00003853105965
                2p
                   -1 :              -0.00002190327704
                   +0 :              -0.00006007964299
                   +1 :               0.00002625754932
                3s
                   +0 :               0.00017353912101
                4s
                   +0 :              -0.00006519906598
                3p
                   -1 :               0.00010225842601
                   +0 :               0.00036745760457
                   +1 :              -0.00012424764125
                4p
                   -1 :              -0.00002342325820
                   +0 :              -0.00009347567067
                   +1 :               0.00003263333474
                3d
                   -2 :              -0.00004913422779
                   -1 :               0.00002871042598
                   +0 :               0.00009111350898
                   +1 :              -0.00005739658048
                   +2 :               0.00005346057701
             13 vec=    -4.977229     12.099325     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00010112182512
                2p
                   -1 :              -0.00001461677026
                   +0 :              -0.00002686524723
                   +1 :              -0.00001905485441
                3s
                   +0 :               0.00045210889010
                4s
                   +0 :              -0.00012005882002
                3p
                   -1 :               0.00010895952390
                   +0 :               0.00020939422016
                   +1 :               0.00014135201027
                4p
                   -1 :              -0.00002490652858
                   +0 :              -0.00003207182647
                   +1 :              -0.00004678399020
                3d
                   -2 :               0.00003185195330
                   -1 :               0.00000230556947
                   +0 :               0.00006123989736
                   +1 :               0.00001476404810
                   +2 :              -0.00000720338599
             14 vec=     2.802933    -10.360070    -13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00003332073760
                2p
                   -1 :              -0.00001011197020
                   +0 :              -0.00000461659823
                   +1 :              -0.00001071409581
                3s
                   +0 :              -0.00037194665942
                4s
                   +0 :               0.00005624172472
                3p
                   -1 :               0.00024893016077
                   +0 :               0.00007514742780
                   +1 :               0.00007085058921
                4p
                   -1 :              -0.00000930708234
                   +0 :              -0.00002813831330
                   +1 :              -0.00000937753671
                3d
                   -2 :              -0.00002966479253
                   -1 :              -0.00002600215540
                   +0 :               0.00003503671114
                   +1 :              -0.00001168764588
                   +2 :               0.00005967806437
             15 vec=    10.583096      3.115567    -13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00007113603128
                2p
                   -1 :              -0.00001538718167
                   +0 :              -0.00000952875046
                   +1 :              -0.00004169408904
                3s
                   +0 :               0.00030154910354
                4s
                   +0 :              -0.00005617152420
                3p
                   -1 :               0.00007451887463
                   +0 :               0.00007492331407
                   +1 :               0.00025491823547
                4p
                   -1 :              -0.00000541943267
                   +0 :              -0.00003043246742
                   +1 :              -0.00003359542048
                3d
                   -2 :               0.00002081005907
                   -1 :              -0.00000221911802
                   +0 :              -0.00004700049201
                   +1 :              -0.00000906887313
                   +2 :               0.00005550090256
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al(  9)  npairs=  13
              1 vec=     0.209546      3.115567      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00139494450589
                2p
                   -1 :              -0.00025205234152
                   +0 :              -0.00122150977563
                   +1 :               0.00001043296338
                3s
                   +0 :               0.00462737179307
                4s
                   +0 :              -0.00259390990634
                3p
                   -1 :               0.00236410413188
                   +0 :               0.00127288677384
                   +1 :              -0.00044212612813
                4p
                   -1 :              -0.00113195221705
                   +0 :              -0.00130463369077
                   +1 :               0.00042693407096
                3d
                   -2 :               0.00077804841212
                   -1 :              -0.00132031470899
                   +0 :              -0.00108807513149
                   +1 :               0.00021036241910
                   +2 :               0.00006773428435
              2 vec=     0.209546     -5.868191      6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00180889885079
                2p
                   -1 :               0.00003364064889
                   +0 :               0.00034487765798
                   +1 :               0.00000855428409
                3s
                   +0 :              -0.01703682645493
                4s
                   +0 :               0.00223714226483
                3p
                   -1 :               0.00652623215955
                   +0 :              -0.00924008443993
                   +1 :              -0.00030384135824
                4p
                   -1 :               0.00045326575426
                   +0 :               0.00060025350527
                   +1 :              -0.00001995745717
                3d
                   -2 :              -0.00037260530453
                   -1 :               0.00307106084895
                   +0 :              -0.00079877893331
                   +1 :              -0.00004957676754
                   +2 :               0.00213205781226
              3 vec=    -7.570617     -1.376312      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00132615420178
                2p
                   -1 :              -0.00026181484818
                   +0 :               0.00045256711305
                   +1 :              -0.00080286261994
                3s
                   +0 :              -0.00587848117776
                4s
                   +0 :               0.00260606454110
                3p
                   -1 :               0.00142705330163
                   +0 :              -0.00353637910163
                   +1 :               0.00474076197524
                4p
                   -1 :              -0.00047388156370
                   +0 :               0.00107454429768
                   +1 :              -0.00156997374208
                3d
                   -2 :              -0.00028536988662
                   -1 :               0.00030690528804
                   +0 :               0.00020143322779
                   +1 :               0.00082339983676
                   +2 :              -0.00077792446607
              4 vec=     7.989708     -1.376312      6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00032791769234
                2p
                   -1 :              -0.00000612067276
                   +0 :               0.00000716861396
                   +1 :               0.00030167530201
                3s
                   +0 :              -0.00159255040330
                4s
                   +0 :               0.00073198670857
                3p
                   -1 :               0.00007385609026
                   +0 :              -0.00089450794390
                   +1 :              -0.00189224900380
                4p
                   -1 :              -0.00011144752412
                   +0 :               0.00023459743271
                   +1 :               0.00062158159999
                3d
                   -2 :               0.00002486675831
                   -1 :              -0.00052203693419
                   +0 :               0.00030300841744
                   +1 :              -0.00059839586920
                   +2 :              -0.00028988229580
              5 vec=    -7.570617      7.607446      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00005661409912
                2p
                   -1 :               0.00019018735293
                   +0 :              -0.00010456734136
                   +1 :              -0.00011244824483
                3s
                   +0 :               0.00116084351285
                4s
                   +0 :              -0.00039565374814
                3p
                   -1 :              -0.00079535255426
                   +0 :               0.00114980968127
                   +1 :               0.00004728564330
                4p
                   -1 :               0.00026324956115
                   +0 :              -0.00024636731782
                   +1 :              -0.00005328306843
                3d
                   -2 :               0.00002036268945
                   -1 :               0.00008990628452
                   +0 :               0.00015676551627
                   +1 :              -0.00018622385608
                   +2 :               0.00000360120930
              6 vec=     7.989708      7.607446      6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00016449876372
                2p
                   -1 :               0.00004363104894
                   +0 :               0.00010286096332
                   +1 :               0.00005451076634
                3s
                   +0 :               0.00141486609938
                4s
                   +0 :              -0.00020169266310
                3p
                   -1 :               0.00016909504562
                   +0 :               0.00019119971488
                   +1 :               0.00017957436843
                4p
                   -1 :              -0.00003488707572
                   +0 :               0.00003205665183
                   +1 :               0.00011026457171
                3d
                   -2 :               0.00023540749051
                   -1 :               0.00002432692181
                   +0 :              -0.00009176445621
                   +1 :               0.00005242619969
                   +2 :               0.00009289784206
              7 vec=     0.209546     12.099325      6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00001933035392
                2p
                   -1 :              -0.00013638170913
                   +0 :               0.00001450394684
                   +1 :              -0.00023455553107
                3s
                   +0 :               0.00076233302345
                4s
                   +0 :              -0.00053271428536
                3p
                   -1 :               0.00132235019738
                   +0 :               0.00010358551493
                   +1 :               0.00089659796635
                4p
                   -1 :              -0.00059876542895
                   +0 :              -0.00013004119151
                   +1 :              -0.00017556884134
                3d
                   -2 :              -0.00008253592379
                   -1 :               0.00003781988825
                   +0 :              -0.00009166636798
                   +1 :              -0.00003692169862
                   +2 :              -0.00016552449158
              8 vec=    -7.570617    -10.360070      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00023160022035
                2p
                   -1 :              -0.00009891565046
                   +0 :               0.00013299193281
                   +1 :               0.00007094421294
                3s
                   +0 :              -0.00089817705573
                4s
                   +0 :               0.00016842031546
                3p
                   -1 :               0.00044977504380
                   +0 :              -0.00067165398547
                   +1 :              -0.00037845424134
                4p
                   -1 :              -0.00004732495515
                   +0 :               0.00011410776298
                   +1 :               0.00017578939151
                3d
                   -2 :               0.00007811929300
                   -1 :               0.00010993218472
                   +0 :              -0.00007001970716
                   +1 :              -0.00001240476153
                   +2 :               0.00001201027562
              9 vec=     7.989708    -10.360070      6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00005242549497
                2p
                   -1 :               0.00008721990631
                   +0 :              -0.00003857447175
                   +1 :               0.00002808054341
                3s
                   +0 :              -0.00002163349415
                4s
                   +0 :               0.00005418559687
                3p
                   -1 :              -0.00052911731271
                   +0 :               0.00014386136313
                   +1 :              -0.00027486766633
                4p
                   -1 :               0.00008925511038
                   +0 :               0.00001734229822
                   +1 :               0.00006790001020
                3d
                   -2 :               0.00000687012986
                   -1 :              -0.00005639894398
                   +0 :              -0.00003150125936
                   +1 :              -0.00000001601377
                   +2 :              -0.00009082057427
             10 vec=     0.209546    -14.851949      6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00015864020457
                2p
                   -1 :              -0.00005670648031
                   +0 :               0.00006440615192
                   +1 :               0.00000744795852
                3s
                   +0 :              -0.00054693402328
                4s
                   +0 :               0.00009676207184
                3p
                   -1 :               0.00019849432960
                   +0 :              -0.00029589381504
                   +1 :              -0.00008581470692
                4p
                   -1 :               0.00000215575890
                   +0 :               0.00005340333340
                   +1 :               0.00004302255616
                3d
                   -2 :               0.00001399413603
                   -1 :               0.00006560614678
                   +0 :              -0.00003106085240
                   +1 :               0.00000586232270
                   +2 :               0.00000897023591
             11 vec=   -15.350780      3.115567      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00002284324061
                2p
                   -1 :              -0.00003187168556
                   +0 :              -0.00001244037572
                   +1 :               0.00001588184650
                3s
                   +0 :               0.00012177875475
                4s
                   +0 :              -0.00003645692143
                3p
                   -1 :               0.00013011555879
                   +0 :               0.00005090891492
                   +1 :              -0.00008381273917
                4p
                   -1 :              -0.00002768543893
                   +0 :              -0.00000812563938
                   +1 :               0.00001791828619
                3d
                   -2 :              -0.00003653983820
                   -1 :               0.00002949618940
                   +0 :              -0.00000442954412
                   +1 :               0.00000227206822
                   +2 :              -0.00004889215499
             12 vec=    15.769871      3.115567      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00005464223279
                2p
                   -1 :              -0.00001808130936
                   +0 :              -0.00003491698796
                   +1 :              -0.00000556810719
                3s
                   +0 :               0.00023137459833
                4s
                   +0 :              -0.00006179674992
                3p
                   -1 :               0.00009052996169
                   +0 :               0.00019466952347
                   +1 :               0.00003456797139
                4p
                   -1 :              -0.00002401369311
                   +0 :              -0.00004669108806
                   +1 :               0.00000366478247
                3d
                   -2 :               0.00001312150300
                   -1 :               0.00002238071042
                   +0 :               0.00001958052220
                   +1 :               0.00003608135861
                   +2 :              -0.00001886781804
             13 vec=   -15.350780     -5.868191      6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00003250716222
                2p
                   -1 :              -0.00001113803603
                   +0 :              -0.00000173518841
                   +1 :              -0.00001568252360
                3s
                   +0 :              -0.00017593843448
                4s
                   +0 :               0.00007851017436
                3p
                   -1 :               0.00013503076016
                   +0 :              -0.00002798970355
                   +1 :               0.00011210766511
                4p
                   -1 :              -0.00006008413769
                   +0 :               0.00001600561408
                   +1 :              -0.00004067150178
                3d
                   -2 :              -0.00001865247400
                   -1 :               0.00000054282474
                   +0 :               0.00000593308837
                   +1 :              -0.00001070363363
                   +2 :               0.00000095381384
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al( 10)  npairs=  15
              1 vec=     0.209546      3.115567    -10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00078260472373
                2p
                   -1 :               0.00001731004239
                   +0 :              -0.00025529546349
                   +1 :              -0.00015875994620
                3s
                   +0 :              -0.00234708582188
                4s
                   +0 :               0.00053938728742
                3p
                   -1 :              -0.00099429803261
                   +0 :               0.00124090317919
                   +1 :               0.00073830365566
                4p
                   -1 :               0.00004976200640
                   +0 :              -0.00026443066307
                   +1 :              -0.00008848446720
                3d
                   -2 :              -0.00014763691854
                   -1 :               0.00039270921763
                   +0 :               0.00032076325990
                   +1 :              -0.00020651981426
                   +2 :               0.00005636688129
              2 vec=     0.209546     -5.868191    -10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00002386048158
                2p
                   -1 :               0.00003896275943
                   +0 :               0.00004139921369
                   +1 :               0.00012846031364
                3s
                   +0 :              -0.00038364600277
                4s
                   +0 :               0.00011499225227
                3p
                   -1 :              -0.00010211414355
                   +0 :              -0.00014320991998
                   +1 :              -0.00057921907858
                4p
                   -1 :               0.00002323460010
                   +0 :              -0.00004104703451
                   +1 :               0.00024216943658
                3d
                   -2 :              -0.00004172115789
                   -1 :               0.00012721015867
                   +0 :               0.00028668206986
                   +1 :               0.00007900681595
                   +2 :              -0.00026950910282
              3 vec=    -7.570617     -1.376312    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00022927428240
                2p
                   -1 :               0.00004623953254
                   +0 :              -0.00015030068196
                   +1 :              -0.00027528793018
                3s
                   +0 :               0.00030086805952
                4s
                   +0 :               0.00005880972523
                3p
                   -1 :              -0.00073392937811
                   +0 :              -0.00008489272749
                   +1 :               0.00050795961911
                4p
                   -1 :               0.00019284273601
                   +0 :              -0.00009127848413
                   +1 :              -0.00017257674818
                3d
                   -2 :               0.00022408714730
                   -1 :               0.00016790617489
                   +0 :              -0.00004306795708
                   +1 :              -0.00000956750791
                   +2 :              -0.00006088157666
              4 vec=     7.989708     -1.376312    -10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00002228300456
                2p
                   -1 :              -0.00019087958269
                   +0 :              -0.00006637470349
                   +1 :               0.00007479303935
                3s
                   +0 :               0.00073956583183
                4s
                   +0 :              -0.00000811346215
                3p
                   -1 :               0.00061888614417
                   +0 :              -0.00013179148058
                   +1 :               0.00031715710614
                4p
                   -1 :              -0.00018830495323
                   +0 :              -0.00016119413827
                   +1 :              -0.00000784879923
                3d
                   -2 :              -0.00012068990232
                   -1 :              -0.00011864996589
                   +0 :              -0.00017768628096
                   +1 :              -0.00015676949710
                   +2 :               0.00017127668742
              5 vec=     0.209546      3.115567     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00012762497588
                2p
                   -1 :               0.00006483970739
                   +0 :               0.00001092878989
                   +1 :              -0.00001576352254
                3s
                   +0 :              -0.00016296082485
                4s
                   +0 :               0.00001936784207
                3p
                   -1 :              -0.00028229721463
                   +0 :              -0.00000879026383
                   +1 :               0.00014111143731
                4p
                   -1 :               0.00004241686572
                   +0 :              -0.00003626337022
                   +1 :              -0.00005658590111
                3d
                   -2 :               0.00000575068749
                   -1 :              -0.00002213438263
                   +0 :               0.00000091782970
                   +1 :               0.00001654303090
                   +2 :              -0.00005282786590
              6 vec=     0.209546     -5.868191     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00003936089677
                2p
                   -1 :               0.00002301005071
                   +0 :              -0.00000272413389
                   +1 :              -0.00002596768735
                3s
                   +0 :               0.00007511719873
                4s
                   +0 :               0.00000865130492
                3p
                   -1 :              -0.00030224808248
                   +0 :               0.00005731531249
                   +1 :               0.00019735755135
                4p
                   -1 :               0.00001687188195
                   +0 :               0.00000515888543
                   +1 :              -0.00005361919712
                3d
                   -2 :              -0.00002216600585
                   -1 :              -0.00000277014196
                   +0 :               0.00001051823571
                   +1 :               0.00002240119528
                   +2 :              -0.00003627377486
              7 vec=    -7.570617      7.607446    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00006564836542
                2p
                   -1 :               0.00003625758551
                   +0 :              -0.00007292448029
                   +1 :              -0.00002802445031
                3s
                   +0 :              -0.00037953496557
                4s
                   +0 :               0.00020724845111
                3p
                   -1 :              -0.00019852902315
                   +0 :               0.00046845437154
                   +1 :               0.00030330814586
                4p
                   -1 :               0.00006263704801
                   +0 :              -0.00012453355751
                   +1 :              -0.00011022560413
                3d
                   -2 :               0.00007824848044
                   -1 :               0.00005992124482
                   +0 :              -0.00007783404487
                   +1 :              -0.00010047884531
                   +2 :              -0.00003334364987
              8 vec=     7.989708      7.607446    -10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00008216640928
                2p
                   -1 :              -0.00000958517212
                   +0 :               0.00000197045899
                   +1 :               0.00001480134486
                3s
                   +0 :               0.00022240848813
                4s
                   +0 :               0.00002045409542
                3p
                   -1 :              -0.00005378457436
                   +0 :               0.00002022013464
                   +1 :              -0.00019865522889
                4p
                   -1 :               0.00006888503326
                   +0 :              -0.00002766215909
                   +1 :               0.00010210487123
                3d
                   -2 :              -0.00006079592693
                   -1 :               0.00002971307545
                   +0 :               0.00001937240928
                   +1 :               0.00002106743200
                   +2 :              -0.00003220618051
              9 vec=    -7.570617     -1.376312     13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00000787787883
                2p
                   -1 :              -0.00000382806265
                   +0 :              -0.00004877001268
                   +1 :               0.00000734123098
                3s
                   +0 :              -0.00017852283775
                4s
                   +0 :               0.00000162966183
                3p
                   -1 :              -0.00006563439648
                   +0 :               0.00026396603933
                   +1 :               0.00016876369230
                4p
                   -1 :              -0.00003580313434
                   +0 :              -0.00008270972681
                   +1 :              -0.00003398690971
                3d
                   -2 :               0.00008158250027
                   -1 :              -0.00002597375896
                   +0 :               0.00010394158615
                   +1 :               0.00000466746409
                   +2 :              -0.00007814337125
             10 vec=     7.989708     -1.376312     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00000685565742
                2p
                   -1 :              -0.00000419675870
                   +0 :              -0.00003213125088
                   +1 :              -0.00003118578627
                3s
                   +0 :              -0.00025511804380
                4s
                   +0 :               0.00003215468589
                3p
                   -1 :              -0.00003967895459
                   +0 :               0.00014455805416
                   +1 :              -0.00006169232341
                4p
                   -1 :              -0.00001062358980
                   +0 :              -0.00003838678486
                   +1 :               0.00001332702743
                3d
                   -2 :              -0.00005450088803
                   -1 :               0.00001522982540
                   +0 :               0.00010620740684
                   +1 :               0.00003255037519
                   +2 :               0.00002803807164
             11 vec=     0.209546     12.099325    -10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00031421306570
                2p
                   -1 :               0.00014123502513
                   +0 :              -0.00012944653838
                   +1 :               0.00002720675153
                3s
                   +0 :              -0.00101536957568
                4s
                   +0 :               0.00034424689121
                3p
                   -1 :              -0.00061112696602
                   +0 :               0.00060584549061
                   +1 :              -0.00013808659224
                4p
                   -1 :               0.00012056342804
                   +0 :              -0.00017551961846
                   +1 :               0.00002912699947
                3d
                   -2 :              -0.00005353322907
                   -1 :               0.00013820015132
                   +0 :              -0.00005363836402
                   +1 :               0.00000688913354
                   +2 :               0.00002613951139
             12 vec=    -7.570617    -10.360070    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00000034727315
                2p
                   -1 :               0.00000231726947
                   +0 :               0.00001632669748
                   +1 :               0.00001171883347
                3s
                   +0 :              -0.00011117316721
                4s
                   +0 :              -0.00004476234735
                3p
                   -1 :              -0.00001891476781
                   +0 :               0.00000411061185
                   +1 :               0.00000118759276
                4p
                   -1 :               0.00002003414182
                   +0 :               0.00003789412800
                   +1 :               0.00002633040609
                3d
                   -2 :              -0.00003119389544
                   -1 :              -0.00001977021778
                   +0 :               0.00000907177664
                   +1 :              -0.00000197064766
                   +2 :              -0.00003607710852
             13 vec=     7.989708    -10.360070    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00012381671624
                2p
                   -1 :              -0.00002278264012
                   +0 :              -0.00004583761721
                   +1 :               0.00005014255001
                3s
                   +0 :              -0.00045964431231
                4s
                   +0 :               0.00009465379143
                3p
                   -1 :               0.00008833499826
                   +0 :               0.00027723590335
                   +1 :              -0.00023327824728
                4p
                   -1 :              -0.00000505009147
                   +0 :              -0.00004302257683
                   +1 :               0.00003223237935
                3d
                   -2 :               0.00002965671758
                   -1 :              -0.00002757219530
                   +0 :              -0.00004553839369
                   +1 :               0.00004543650660
                   +2 :               0.00000747553424
             14 vec=    -7.570617      7.607446     13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00005906353663
                2p
                   -1 :              -0.00000889244892
                   +0 :               0.00000640176653
                   +1 :               0.00002695076616
                3s
                   +0 :               0.00029280944130
                4s
                   +0 :              -0.00001911024877
                3p
                   -1 :               0.00007228225566
                   +0 :              -0.00003231744086
                   +1 :              -0.00015186237821
                4p
                   -1 :              -0.00000249491591
                   +0 :               0.00002283829183
                   +1 :               0.00000763823060
                3d
                   -2 :              -0.00001506846313
                   -1 :              -0.00001380724553
                   +0 :              -0.00004156683398
                   +1 :              -0.00000719827336
                   +2 :               0.00003920596244
             15 vec=     7.989708      7.607446     13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00005903767805
                2p
                   -1 :               0.00001997025735
                   +0 :               0.00000130434501
                   +1 :               0.00003021081700
                3s
                   +0 :              -0.00004849286146
                4s
                   +0 :              -0.00000184978748
                3p
                   -1 :              -0.00004549641140
                   +0 :               0.00004566327901
                   +1 :              -0.00006186904871
                4p
                   -1 :               0.00000259516421
                   +0 :              -0.00002647571760
                   +1 :               0.00000214060783
                3d
                   -2 :              -0.00001570210716
                   -1 :               0.00000420117988
                   +0 :              -0.00000113194958
                   +1 :              -0.00000182679037
                   +2 :              -0.00001083989120
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al( 11)  npairs=  14
              1 vec=     0.209546      3.115567      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.04516016848076
                2p
                   -1 :               0.04240515940029
                   +0 :               0.02829879105667
                   +1 :               0.00173724073814
                3s
                   +0 :               0.10316877930592
                4s
                   +0 :               0.01669589960745
                3p
                   -1 :               0.06526426989816
                   +0 :               0.05261256023082
                   +1 :               0.01991691981212
                4p
                   -1 :               0.02372446618364
                   +0 :               0.01319031559659
                   +1 :              -0.00309824883318
                3d
                   -2 :               0.00786597042608
                   -1 :               0.05892670271672
                   +0 :               0.00458775820483
                   +1 :               0.00450809759777
                   +2 :              -0.03679103425451
              2 vec=     0.209546     -5.868191      1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00442806859265
                2p
                   -1 :              -0.00337417967579
                   +0 :               0.00145436627131
                   +1 :              -0.00035137485811
                3s
                   +0 :              -0.00602184848858
                4s
                   +0 :               0.00623969300769
                3p
                   -1 :               0.01046803183371
                   +0 :              -0.00704550890247
                   +1 :               0.00425930132750
                4p
                   -1 :              -0.00416564573719
                   +0 :               0.00252426852626
                   +1 :              -0.00121625619025
                3d
                   -2 :              -0.00190292778461
                   -1 :               0.00285767786925
                   +0 :               0.00306804863194
                   +1 :               0.00014199082962
                   +2 :               0.00434180885415
              3 vec=    -7.570617     -1.376312      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00023897500618
                2p
                   -1 :               0.00027592956735
                   +0 :              -0.00069078436168
                   +1 :              -0.00024519363272
                3s
                   +0 :               0.00201949617225
                4s
                   +0 :              -0.00003974373017
                3p
                   -1 :              -0.00059392667126
                   +0 :               0.00397594575152
                   +1 :              -0.00237444310640
                4p
                   -1 :              -0.00007368844954
                   +0 :              -0.00065545145875
                   +1 :              -0.00012335105354
                3d
                   -2 :               0.00012566668750
                   -1 :              -0.00035262098574
                   +0 :              -0.00013413550798
                   +1 :              -0.00199446417730
                   +2 :               0.00092331591392
              4 vec=     7.989708     -1.376312      1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00038824696559
                2p
                   -1 :              -0.00049496196883
                   +0 :               0.00046670591972
                   +1 :              -0.00007100437033
                3s
                   +0 :              -0.00029759634690
                4s
                   +0 :               0.00077544797956
                3p
                   -1 :               0.00220697974022
                   +0 :              -0.00191247496322
                   +1 :               0.00195967998095
                4p
                   -1 :              -0.00086664497628
                   +0 :               0.00065373068132
                   +1 :               0.00014928902262
                3d
                   -2 :              -0.00010318649572
                   -1 :               0.00042489101132
                   +0 :              -0.00028716648582
                   +1 :               0.00072024371061
                   +2 :               0.00120942597591
              5 vec=    -7.570617      7.607446      1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00045944027747
                2p
                   -1 :              -0.00051603777755
                   +0 :               0.00021696636298
                   +1 :               0.00012441685217
                3s
                   +0 :               0.00120481654582
                4s
                   +0 :              -0.00028666669054
                3p
                   -1 :               0.00176830585486
                   +0 :              -0.00058183740117
                   +1 :              -0.00076944350668
                4p
                   -1 :              -0.00045298969244
                   +0 :               0.00002036507013
                   +1 :              -0.00000900355318
                3d
                   -2 :              -0.00078188717545
                   -1 :              -0.00005616290817
                   +0 :              -0.00019181978629
                   +1 :              -0.00023213754533
                   +2 :              -0.00063269305936
              6 vec=     7.989708      7.607446      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00010626268893
                2p
                   -1 :               0.00010101453271
                   +0 :              -0.00017768056277
                   +1 :              -0.00019677810622
                3s
                   +0 :               0.00008883710429
                4s
                   +0 :              -0.00070079874463
                3p
                   -1 :              -0.00043194154925
                   +0 :               0.00089983694718
                   +1 :               0.00176399390551
                4p
                   -1 :              -0.00012347757097
                   +0 :              -0.00021608882994
                   +1 :              -0.00059210154985
                3d
                   -2 :              -0.00003215724544
                   -1 :               0.00002777163704
                   +0 :              -0.00029777811230
                   +1 :               0.00060454791705
                   +2 :               0.00099739036140
              7 vec=     0.209546     12.099325      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00014091666743
                2p
                   -1 :              -0.00008250227542
                   +0 :              -0.00002834548085
                   +1 :              -0.00013643845231
                3s
                   +0 :               0.00086995383231
                4s
                   +0 :              -0.00000382323862
                3p
                   -1 :               0.00084600887714
                   +0 :               0.00050832910650
                   +1 :               0.00066827381052
                4p
                   -1 :              -0.00014080214676
                   +0 :               0.00001592265853
                   +1 :              -0.00031820378509
                3d
                   -2 :               0.00006269983775
                   -1 :               0.00008018178303
                   +0 :              -0.00011953159098
                   +1 :              -0.00009395508265
                   +2 :              -0.00015074442624
              8 vec=    -7.570617    -10.360070      1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00006212014112
                2p
                   -1 :               0.00005656437896
                   +0 :              -0.00018499336709
                   +1 :               0.00016831472327
                3s
                   +0 :              -0.00194382306007
                4s
                   +0 :               0.00022335538945
                3p
                   -1 :              -0.00040602293423
                   +0 :              -0.00048477335534
                   +1 :               0.00076366119266
                4p
                   -1 :               0.00001340764187
                   +0 :              -0.00009048544256
                   +1 :               0.00009800040505
                3d
                   -2 :               0.00022676617555
                   -1 :              -0.00008120901503
                   +0 :              -0.00025056705272
                   +1 :               0.00053405853184
                   +2 :              -0.00045386130515
              9 vec=     7.989708    -10.360070      1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00006366885767
                2p
                   -1 :              -0.00003253453631
                   +0 :               0.00002972665986
                   +1 :              -0.00012608963276
                3s
                   +0 :              -0.00173890462221
                4s
                   +0 :               0.00000026206089
                3p
                   -1 :               0.00050387015058
                   +0 :              -0.00161309629065
                   +1 :              -0.00083901357397
                4p
                   -1 :              -0.00001117314365
                   +0 :               0.00019882943049
                   +1 :              -0.00009730972392
                3d
                   -2 :               0.00021389421058
                   -1 :               0.00032523915079
                   +0 :              -0.00015558217105
                   +1 :              -0.00060309300483
                   +2 :              -0.00024646149508
             10 vec=     0.209546    -14.851949      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00021042905093
                2p
                   -1 :              -0.00003224894085
                   +0 :              -0.00002928896802
                   +1 :              -0.00001640750591
                3s
                   +0 :              -0.00110845195052
                4s
                   +0 :               0.00026778069337
                3p
                   -1 :               0.00028655812127
                   +0 :              -0.00006243897655
                   +1 :              -0.00000873028106
                4p
                   -1 :              -0.00006510500059
                   +0 :              -0.00005276429853
                   +1 :               0.00001048359746
                3d
                   -2 :               0.00002246338475
                   -1 :              -0.00001371050501
                   +0 :              -0.00004998745845
                   +1 :               0.00000855259882
                   +2 :              -0.00002179346901
             11 vec=   -15.350780      3.115567      1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00002070506043
                2p
                   -1 :              -0.00003097428104
                   +0 :               0.00001449424831
                   +1 :              -0.00003660074778
                3s
                   +0 :              -0.00003335207474
                4s
                   +0 :               0.00002394027471
                3p
                   -1 :               0.00010989775412
                   +0 :              -0.00006942211711
                   +1 :               0.00010116009960
                4p
                   -1 :              -0.00001867490099
                   +0 :               0.00001644334048
                   +1 :              -0.00000987573603
                3d
                   -2 :              -0.00000726490495
                   -1 :              -0.00002271411627
                   +0 :               0.00000555869943
                   +1 :               0.00005163460267
                   +2 :              -0.00000630725277
             12 vec=    15.769871      3.115567      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00004294177380
                2p
                   -1 :               0.00001184530997
                   +0 :               0.00000316175974
                   +1 :              -0.00001244504133
                3s
                   +0 :               0.00028346050038
                4s
                   +0 :              -0.00008149659909
                3p
                   -1 :              -0.00014341508459
                   +0 :               0.00006343164318
                   +1 :               0.00012625080491
                4p
                   -1 :               0.00001246404996
                   +0 :              -0.00001894078523
                   +1 :              -0.00004926044215
                3d
                   -2 :              -0.00004492601043
                   -1 :              -0.00005320019091
                   +0 :               0.00002654088487
                   +1 :               0.00000641987266
                   +2 :              -0.00001885477505
             13 vec=   -15.350780     -5.868191      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00006575193917
                2p
                   -1 :              -0.00002782207417
                   +0 :              -0.00000219664255
                   +1 :               0.00000026451191
                3s
                   +0 :              -0.00043710485718
                4s
                   +0 :               0.00006870740481
                3p
                   -1 :               0.00021235074019
                   +0 :              -0.00011484504569
                   +1 :               0.00012168799897
                4p
                   -1 :              -0.00001437508583
                   +0 :              -0.00000814815455
                   +1 :              -0.00001462366991
                3d
                   -2 :              -0.00003132186385
                   -1 :               0.00008261669520
                   +0 :              -0.00001377628704
                   +1 :               0.00004691321832
                   +2 :               0.00001045807865
             14 vec=    15.769871     -5.868191      1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00000637913590
                2p
                   -1 :              -0.00002509743998
                   +0 :              -0.00000064149966
                   +1 :              -0.00002194065416
                3s
                   +0 :              -0.00011677435880
                4s
                   +0 :               0.00003698112873
                3p
                   -1 :               0.00018914714672
                   +0 :              -0.00006477073770
                   +1 :               0.00008328790419
                4p
                   -1 :              -0.00004045054274
                   +0 :               0.00001366871102
                   +1 :              -0.00001342620954
                3d
                   -2 :               0.00001551078961
                   -1 :               0.00004490991508
                   +0 :              -0.00000399241838
                   +1 :              -0.00000839652466
                   +2 :               0.00004925882999
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site Al( 12)  npairs=  14
              1 vec=     0.209546      3.115567     -5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00236791543959
                2p
                   -1 :              -0.00073424422669
                   +0 :               0.00186017457933
                   +1 :              -0.00035125699095
                3s
                   +0 :               0.00652765917838
                4s
                   +0 :              -0.00431520064457
                3p
                   -1 :               0.00299035725248
                   +0 :              -0.01283980990669
                   +1 :               0.00129095042249
                4p
                   -1 :              -0.00080050135516
                   +0 :               0.00539579580636
                   +1 :              -0.00014662460907
                3d
                   -2 :               0.00042886081593
                   -1 :              -0.00167451511849
                   +0 :               0.00352963408215
                   +1 :               0.00032417018471
                   +2 :              -0.00172604778277
              2 vec=     0.209546     -5.868191     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00029971237675
                2p
                   -1 :               0.00007617250213
                   +0 :              -0.00055084303918
                   +1 :               0.00015658829914
                3s
                   +0 :              -0.00509790904914
                4s
                   +0 :              -0.00018031163845
                3p
                   -1 :               0.00348550141448
                   +0 :               0.00086349525739
                   +1 :              -0.00028328277826
                4p
                   -1 :               0.00037648075071
                   +0 :              -0.00061644906833
                   +1 :              -0.00005617077902
                3d
                   -2 :              -0.00050772159423
                   -1 :               0.00048333443259
                   +0 :               0.00192352590399
                   +1 :              -0.00001488880162
                   +2 :               0.00178309534787
              3 vec=    -7.570617     -1.376312     -5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00040994507875
                2p
                   -1 :               0.00002364449463
                   +0 :              -0.00024704515726
                   +1 :              -0.00083885482293
                3s
                   +0 :              -0.00203927853434
                4s
                   +0 :               0.00090721451846
                3p
                   -1 :               0.00119250568640
                   +0 :               0.00088779870376
                   +1 :               0.00460390334276
                4p
                   -1 :              -0.00063040325026
                   +0 :              -0.00017770857937
                   +1 :              -0.00128884610882
                3d
                   -2 :               0.00000618266940
                   -1 :              -0.00027213558053
                   +0 :               0.00013576115560
                   +1 :              -0.00063346230827
                   +2 :              -0.00063036769613
              4 vec=     7.989708     -1.376312     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00010336081428
                2p
                   -1 :              -0.00063829490096
                   +0 :              -0.00042194929626
                   +1 :               0.00002898709078
                3s
                   +0 :              -0.00002231378161
                4s
                   +0 :               0.00024927609247
                3p
                   -1 :               0.00296392174748
                   +0 :               0.00229495595388
                   +1 :              -0.00059999871964
                4p
                   -1 :              -0.00060087942078
                   +0 :              -0.00081810926030
                   +1 :               0.00054277119379
                3d
                   -2 :               0.00022940228698
                   -1 :              -0.00012683293431
                   +0 :              -0.00029085218272
                   +1 :               0.00060161808202
                   +2 :              -0.00018015255811
              5 vec=    -7.570617      7.607446     -5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00025533295371
                2p
                   -1 :              -0.00000455987435
                   +0 :              -0.00003541857060
                   +1 :              -0.00021377518941
                3s
                   +0 :              -0.00051892443616
                4s
                   +0 :               0.00018369550142
                3p
                   -1 :               0.00025562418335
                   +0 :               0.00024705689041
                   +1 :               0.00084945182434
                4p
                   -1 :              -0.00013940703672
                   +0 :              -0.00012241575377
                   +1 :              -0.00022352503337
                3d
                   -2 :              -0.00001219476169
                   -1 :              -0.00002097059562
                   +0 :               0.00002266613913
                   +1 :              -0.00019705819993
                   +2 :              -0.00014239378286
              6 vec=     7.989708      7.607446     -5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00002412189388
                2p
                   -1 :               0.00012376014791
                   +0 :               0.00002487452903
                   +1 :              -0.00010147813654
                3s
                   +0 :               0.00037368998121
                4s
                   +0 :               0.00014380946260
                3p
                   -1 :              -0.00043512246474
                   +0 :              -0.00005860921937
                   +1 :               0.00095082719935
                4p
                   -1 :               0.00022223680117
                   +0 :              -0.00003239347938
                   +1 :              -0.00007511375973
                3d
                   -2 :               0.00022361708861
                   -1 :               0.00004903236397
                   +0 :              -0.00008973459542
                   +1 :              -0.00009140681457
                   +2 :               0.00017197264635
              7 vec=     0.209546     12.099325     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00021074782403
                2p
                   -1 :               0.00002406378315
                   +0 :               0.00001362162607
                   +1 :               0.00003763191317
                3s
                   +0 :              -0.00070767181056
                4s
                   +0 :               0.00023399736052
                3p
                   -1 :              -0.00028831976486
                   +0 :              -0.00001318218406
                   +1 :              -0.00020159918115
                4p
                   -1 :               0.00013595667277
                   +0 :               0.00004062685280
                   +1 :               0.00003827411216
                3d
                   -2 :               0.00000245248418
                   -1 :              -0.00002237713777
                   +0 :               0.00010192658636
                   +1 :              -0.00011964809859
                   +2 :              -0.00009194338236
              8 vec=    -7.570617    -10.360070     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00000913058782
                2p
                   -1 :               0.00003731391819
                   +0 :               0.00000846937318
                   +1 :               0.00009831524270
                3s
                   +0 :              -0.00025598189692
                4s
                   +0 :               0.00009392514348
                3p
                   -1 :               0.00008779852222
                   +0 :               0.00000248387751
                   +1 :              -0.00050439668152
                4p
                   -1 :              -0.00002659094948
                   +0 :              -0.00001664161975
                   +1 :               0.00012194863738
                3d
                   -2 :               0.00008654221277
                   -1 :               0.00004592146018
                   +0 :              -0.00001284246643
                   +1 :               0.00015953248782
                   +2 :               0.00006107636714
              9 vec=     7.989708    -10.360070     -5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00003417459043
                2p
                   -1 :               0.00007837798207
                   +0 :               0.00005061607145
                   +1 :              -0.00005012655119
                3s
                   +0 :              -0.00016230995037
                4s
                   +0 :               0.00006498963221
                3p
                   -1 :              -0.00043991276366
                   +0 :              -0.00018426172891
                   +1 :               0.00019650821861
                4p
                   -1 :               0.00009525105669
                   +0 :               0.00000018232312
                   +1 :              -0.00001776401430
                3d
                   -2 :              -0.00012624969688
                   -1 :               0.00004915532905
                   +0 :              -0.00006527978996
                   +1 :              -0.00016418950480
                   +2 :              -0.00011908836924
             10 vec=     0.209546    -14.851949     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00017697959847
                2p
                   -1 :               0.00014328572770
                   +0 :               0.00000400449114
                   +1 :               0.00001215199723
                3s
                   +0 :               0.00052564109701
                4s
                   +0 :              -0.00017490972224
                3p
                   -1 :              -0.00070561315599
                   +0 :               0.00010739363492
                   +1 :              -0.00006631233643
                4p
                   -1 :               0.00016174154174
                   +0 :              -0.00007259138858
                   +1 :               0.00002742406102
                3d
                   -2 :               0.00003164057403
                   -1 :               0.00005123523077
                   +0 :              -0.00008517700294
                   +1 :               0.00000207597068
                   +2 :              -0.00014388997119
             11 vec=   -15.350780      3.115567     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00000680269909
                2p
                   -1 :              -0.00002267510234
                   +0 :               0.00003695218660
                   +1 :               0.00003423867533
                3s
                   +0 :               0.00004967696234
                4s
                   +0 :               0.00001726461093
                3p
                   -1 :               0.00016132975500
                   +0 :              -0.00019401245482
                   +1 :              -0.00019427150398
                4p
                   -1 :              -0.00004041570308
                   +0 :               0.00003354013270
                   +1 :               0.00002748222159
                3d
                   -2 :              -0.00005327191387
                   -1 :              -0.00001499070443
                   +0 :              -0.00001050217002
                   +1 :               0.00006121916979
                   +2 :               0.00004229900413
             12 vec=    15.769871      3.115567     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00003360169912
                2p
                   -1 :               0.00001840343888
                   +0 :               0.00001332894638
                   +1 :              -0.00003015173577
                3s
                   +0 :               0.00020947537130
                4s
                   +0 :              -0.00004486993143
                3p
                   -1 :              -0.00008497099943
                   +0 :              -0.00010789071345
                   +1 :               0.00020261152910
                4p
                   -1 :               0.00004496829372
                   +0 :               0.00002267859314
                   +1 :              -0.00004883960547
                3d
                   -2 :               0.00003505199946
                   -1 :              -0.00001718699611
                   +0 :               0.00001684458268
                   +1 :              -0.00005272610402
                   +2 :               0.00001529230412
             13 vec=   -15.350780     -5.868191     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00001031070585
                2p
                   -1 :              -0.00001686668694
                   +0 :              -0.00001067223283
                   +1 :              -0.00000048107602
                3s
                   +0 :              -0.00004944713826
                4s
                   +0 :               0.00004663645133
                3p
                   -1 :               0.00009733918545
                   +0 :               0.00006723957337
                   +1 :               0.00004629751098
                4p
                   -1 :              -0.00004721040627
                   +0 :              -0.00001997854445
                   +1 :              -0.00002393523053
                3d
                   -2 :              -0.00000610873711
                   -1 :               0.00000014191472
                   +0 :              -0.00002013464342
                   +1 :              -0.00000859248416
                   +2 :               0.00000766955156
             14 vec=    15.769871     -5.868191     -5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000549377952
                2p
                   -1 :              -0.00001388083696
                   +0 :              -0.00000964245769
                   +1 :              -0.00000643378180
                3s
                   +0 :              -0.00007181142173
                4s
                   +0 :               0.00004116392810
                3p
                   -1 :               0.00003895513995
                   +0 :               0.00002507187421
                   +1 :              -0.00006087751986
                4p
                   -1 :              -0.00000065646628
                   +0 :               0.00000765245053
                   +1 :               0.00003352536110
                3d
                   -2 :              -0.00000799784174
                   -1 :              -0.00001762966224
                   +0 :               0.00000600231270
                   +1 :              -0.00000705698031
                   +2 :               0.00000206329315
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 13)  npairs=  14
              1 vec=     0.000000     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000722462192
                2s
                   +0 :              -0.00028376733199
                3s
                   +0 :               0.00002517925765
                2p
                   -1 :              -0.00017673365670
                   +0 :               0.00007020626118
                   +1 :               0.00005745860514
                3p
                   -1 :               0.00000279065935
                   +0 :               0.00001979792379
                   +1 :               0.00000856160895
                3d
                   -2 :               0.00001182570439
                   -1 :               0.00001275342097
                   +0 :              -0.00000246144300
                   +1 :               0.00000475394770
                   +2 :               0.00000291346783
              2 vec=     0.000000     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00001215326813
                2s
                   +0 :               0.00021750486925
                3s
                   +0 :              -0.00003289070951
                2p
                   -1 :              -0.00007825177600
                   +0 :              -0.00006477578533
                   +1 :               0.00027418494908
                3p
                   -1 :              -0.00007013197614
                   +0 :               0.00021334248141
                   +1 :              -0.00019400333227
                3d
                   -2 :              -0.00000078860808
                   -1 :              -0.00001133881156
                   +0 :               0.00004325993779
                   +1 :               0.00000841014470
                   +2 :              -0.00002798232035
              3 vec=     0.000000      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000056473791
                2s
                   +0 :               0.00023159958069
                3s
                   +0 :               0.00014980868674
                2p
                   -1 :               0.00003752397451
                   +0 :              -0.00005542541010
                   +1 :               0.00022515303239
                3p
                   -1 :               0.00004250963565
                   +0 :              -0.00032937143216
                   +1 :              -0.00014416426868
                3d
                   -2 :               0.00000083030402
                   -1 :              -0.00002679467046
                   +0 :               0.00005362655366
                   +1 :              -0.00001048650733
                   +2 :              -0.00000188344085
              4 vec=     0.000000      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001394946334
                2s
                   +0 :               0.00029976713159
                3s
                   +0 :               0.00004369387284
                2p
                   -1 :               0.00019403234796
                   +0 :               0.00028670714598
                   +1 :              -0.00019179492205
                3p
                   -1 :              -0.00016684128875
                   +0 :              -0.00010392189110
                   +1 :               0.00017326246758
                3d
                   -2 :               0.00000710395272
                   -1 :              -0.00001663738410
                   +0 :               0.00001597500928
                   +1 :               0.00001667308788
                   +2 :              -0.00000024242379
              5 vec=    -7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00001722234709
                2s
                   +0 :               0.00018664556016
                3s
                   +0 :              -0.00002829534367
                2p
                   -1 :               0.00023850021111
                   +0 :              -0.00014431558185
                   +1 :              -0.00002391501216
                3p
                   -1 :              -0.00013219142793
                   +0 :               0.00000665891897
                   +1 :              -0.00002404205170
                3d
                   -2 :              -0.00000700020495
                   -1 :              -0.00001045466455
                   +0 :               0.00000049443856
                   +1 :              -0.00000457758334
                   +2 :               0.00000749768099
              6 vec=    -7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00008762601500
                2s
                   +0 :               0.00077180297602
                3s
                   +0 :              -0.00019841961613
                2p
                   -1 :               0.00003283321669
                   +0 :               0.00057298597900
                   +1 :              -0.00050622348342
                3p
                   -1 :               0.00000131233236
                   +0 :              -0.00022009736562
                   +1 :               0.00031890943904
                3d
                   -2 :               0.00000661531496
                   -1 :               0.00002344505232
                   +0 :               0.00000497335383
                   +1 :               0.00001360345799
                   +2 :              -0.00001281567443
              7 vec=     7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000648111229
                2s
                   +0 :               0.00009741226204
                3s
                   +0 :               0.00003205844197
                2p
                   -1 :              -0.00006880390639
                   +0 :               0.00006201432291
                   +1 :              -0.00009312405721
                3p
                   -1 :               0.00011907517819
                   +0 :              -0.00025012364337
                   +1 :               0.00010286556987
                3d
                   -2 :               0.00000852992158
                   -1 :              -0.00002302002076
                   +0 :               0.00001780037722
                   +1 :              -0.00002015422265
                   +2 :               0.00002101349269
              8 vec=     7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00000616688088
                2s
                   +0 :               0.00012488417251
                3s
                   +0 :              -0.00003015474650
                2p
                   -1 :              -0.00002770312443
                   +0 :               0.00003722847446
                   +1 :               0.00016206843409
                3p
                   -1 :               0.00007615488548
                   +0 :               0.00005795198240
                   +1 :              -0.00015204177902
                3d
                   -2 :               0.00003494206373
                   -1 :               0.00003150751039
                   +0 :               0.00000924238677
                   +1 :              -0.00001633058662
                   +2 :              -0.00000926175805
              9 vec=    -7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001076832747
                2s
                   +0 :              -0.00005356380450
                3s
                   +0 :               0.00001720379560
                2p
                   -1 :              -0.00000765722776
                   +0 :               0.00005159296069
                   +1 :               0.00004945913674
                3p
                   -1 :              -0.00002069311699
                   +0 :               0.00002158986480
                   +1 :               0.00001955308293
                3d
                   -2 :              -0.00000141974540
                   -1 :              -0.00000313223200
                   +0 :              -0.00000859230987
                   +1 :              -0.00000171951354
                   +2 :               0.00000756840654
             10 vec=    -7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001162121363
                2s
                   +0 :              -0.00014114889010
                3s
                   +0 :               0.00002243075197
                2p
                   -1 :               0.00002141683125
                   +0 :              -0.00007552953481
                   +1 :               0.00014083059267
                3p
                   -1 :               0.00001550556464
                   +0 :               0.00000479898922
                   +1 :              -0.00007850183133
                3d
                   -2 :              -0.00000110289860
                   -1 :               0.00000153040117
                   +0 :              -0.00000227799668
                   +1 :              -0.00000467791448
                   +2 :               0.00000151305308
             11 vec=     7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002974429836
                2s
                   +0 :              -0.00021119317039
                3s
                   +0 :               0.00009788020542
                2p
                   -1 :               0.00002354736522
                   +0 :               0.00021150707580
                   +1 :              -0.00011397218142
                3p
                   -1 :              -0.00000165778863
                   +0 :              -0.00012776052413
                   +1 :               0.00007636066542
                3d
                   -2 :              -0.00000568865541
                   -1 :               0.00000642997718
                   +0 :               0.00000518224400
                   +1 :              -0.00000858363835
                   +2 :              -0.00000687818002
             12 vec=     7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001710149473
                2s
                   +0 :               0.00017646047983
                3s
                   +0 :              -0.00000444847048
                2p
                   -1 :              -0.00002927030571
                   +0 :               0.00030706384045
                   +1 :               0.00000745437153
                3p
                   -1 :               0.00007711649204
                   +0 :              -0.00012385115498
                   +1 :               0.00004989719278
                3d
                   -2 :              -0.00000154058652
                   -1 :               0.00000153607075
                   +0 :               0.00002325264853
                   +1 :               0.00002985963833
                   +2 :               0.00001362733255
             13 vec=     0.000000    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001439878659
                2s
                   +0 :              -0.00015194177953
                3s
                   +0 :               0.00001085615863
                2p
                   -1 :               0.00009688243907
                   +0 :               0.00005814772893
                   +1 :               0.00000340185030
                3p
                   -1 :               0.00001001036569
                   +0 :               0.00001654568795
                   +1 :               0.00001642581839
                3d
                   -2 :              -0.00000507180919
                   -1 :              -0.00000173352325
                   +0 :              -0.00000264432790
                   +1 :              -0.00000334643476
                   +2 :               0.00000176786380
             14 vec=     0.000000    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001568025674
                2s
                   +0 :              -0.00019519197010
                3s
                   +0 :               0.00002426347833
                2p
                   -1 :               0.00013516410887
                   +0 :              -0.00006355849724
                   +1 :              -0.00004047749513
                3p
                   -1 :              -0.00002605995976
                   +0 :              -0.00001885006714
                   +1 :               0.00004981703948
                3d
                   -2 :              -0.00000332798977
                   -1 :              -0.00000052795506
                   +0 :              -0.00000309416511
                   +1 :               0.00000119893830
                   +2 :               0.00000476889652
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 14)  npairs=  18
              1 vec=     3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00009466710176
                2s
                   +0 :              -0.00066555171982
                3s
                   +0 :               0.00038905097850
                2p
                   -1 :               0.00011105478106
                   +0 :               0.00068128326759
                   +1 :              -0.00017408758260
                3p
                   -1 :              -0.00007626446776
                   +0 :              -0.00058340380444
                   +1 :               0.00004775317710
                3d
                   -2 :              -0.00001144304061
                   -1 :               0.00000749484219
                   +0 :               0.00003770405954
                   +1 :              -0.00000576021706
                   +2 :               0.00000498250407
              2 vec=     3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00008192711726
                2s
                   +0 :               0.00068358895382
                3s
                   +0 :              -0.00027997148811
                2p
                   -1 :               0.00032159820146
                   +0 :               0.00039535824725
                   +1 :              -0.00039462304454
                3p
                   -1 :              -0.00024807864230
                   +0 :              -0.00026702079577
                   +1 :               0.00033757415666
                3d
                   -2 :               0.00001099543736
                   -1 :              -0.00001474755164
                   +0 :              -0.00003292915451
                   +1 :               0.00000489203543
                   +2 :              -0.00000275437613
              3 vec=    -4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00007831999500
                2s
                   +0 :              -0.00043248869354
                3s
                   +0 :               0.00021100169465
                2p
                   -1 :              -0.00014845944738
                   +0 :               0.00034933575756
                   +1 :               0.00020376405274
                3p
                   -1 :              -0.00016213603850
                   +0 :              -0.00026321980635
                   +1 :               0.00008358796641
                3d
                   -2 :               0.00002326883651
                   -1 :               0.00005537364441
                   +0 :               0.00002008333021
                   +1 :              -0.00003114814195
                   +2 :              -0.00000411954586
              4 vec=    -4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00002682637143
                2s
                   +0 :              -0.00038842780002
                3s
                   +0 :               0.00004964658789
                2p
                   -1 :              -0.00036296422849
                   +0 :              -0.00032652642751
                   +1 :               0.00019817732808
                3p
                   -1 :               0.00000872425100
                   +0 :               0.00005910269528
                   +1 :               0.00005706946606
                3d
                   -2 :               0.00000928531635
                   -1 :              -0.00003358340645
                   +0 :              -0.00000295432831
                   +1 :               0.00001327934929
                   +2 :              -0.00002295660718
              5 vec=    -4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002921758446
                2s
                   +0 :               0.00024383940231
                3s
                   +0 :              -0.00009515174540
                2p
                   -1 :              -0.00024524367683
                   +0 :              -0.00016077809404
                   +1 :              -0.00033077292793
                3p
                   -1 :               0.00018065675099
                   +0 :               0.00012892311533
                   +1 :               0.00018151188984
                3d
                   -2 :              -0.00000526457079
                   -1 :              -0.00000831617339
                   +0 :              -0.00002421251982
                   +1 :              -0.00001011944377
                   +2 :               0.00000249493114
              6 vec=    -4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001928429532
                2s
                   +0 :               0.00015808569431
                3s
                   +0 :               0.00010347571780
                2p
                   -1 :              -0.00013128645109
                   +0 :              -0.00004845934622
                   +1 :              -0.00004293205926
                3p
                   -1 :               0.00016718155128
                   +0 :               0.00018377322865
                   +1 :              -0.00007330911992
                3d
                   -2 :              -0.00001698000278
                   -1 :               0.00000463698277
                   +0 :               0.00001191992676
                   +1 :              -0.00000321516444
                   +2 :               0.00000551751468
              7 vec=     3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004885489469
                2s
                   +0 :              -0.00079985708511
                3s
                   +0 :               0.00006448897653
                2p
                   -1 :               0.00018197549659
                   +0 :               0.00064327050458
                   +1 :               0.00009542436941
                3p
                   -1 :               0.00007555164524
                   +0 :               0.00001127763988
                   +1 :              -0.00010886542967
                3d
                   -2 :               0.00000263444862
                   -1 :              -0.00002388155796
                   +0 :              -0.00002633228632
                   +1 :               0.00000280551898
                   +2 :               0.00003145893919
              8 vec=     3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005207432820
                2s
                   +0 :              -0.00051720482621
                3s
                   +0 :               0.00010889123640
                2p
                   -1 :               0.00009938977899
                   +0 :              -0.00032195619571
                   +1 :               0.00013793933902
                3p
                   -1 :               0.00002295685436
                   +0 :               0.00005704765187
                   +1 :              -0.00003273055319
                3d
                   -2 :              -0.00001291230732
                   -1 :               0.00001446351005
                   +0 :              -0.00000137943552
                   +1 :               0.00001394669289
                   +2 :               0.00000610899254
              9 vec=     3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001174379929
                2s
                   +0 :              -0.00004100358403
                3s
                   +0 :               0.00003938243165
                2p
                   -1 :              -0.00001341760828
                   +0 :              -0.00000206467555
                   +1 :              -0.00010124086905
                3p
                   -1 :               0.00004131164071
                   +0 :              -0.00005138152431
                   +1 :               0.00009000352901
                3d
                   -2 :               0.00000627160626
                   -1 :               0.00000438342755
                   +0 :               0.00000019586406
                   +1 :              -0.00000939959945
                   +2 :               0.00000270254744
             10 vec=     3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002968145203
                2s
                   +0 :              -0.00010058980750
                3s
                   +0 :               0.00013801419676
                2p
                   -1 :              -0.00024353114578
                   +0 :              -0.00016554368184
                   +1 :              -0.00005154319818
                3p
                   -1 :               0.00026928973977
                   +0 :               0.00025901755393
                   +1 :               0.00004518163483
                3d
                   -2 :               0.00000221281895
                   -1 :               0.00001581148685
                   +0 :               0.00001527743336
                   +1 :               0.00000134178538
                   +2 :              -0.00000033911502
             11 vec=    10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002541319402
                2s
                   +0 :               0.00015043188961
                3s
                   +0 :              -0.00009962168865
                2p
                   -1 :              -0.00001817259393
                   +0 :              -0.00005184740385
                   +1 :               0.00014863299606
                3p
                   -1 :              -0.00000643156168
                   +0 :               0.00007835273133
                   +1 :              -0.00016778448342
                3d
                   -2 :               0.00000125951230
                   -1 :              -0.00000284474922
                   +0 :              -0.00000488417558
                   +1 :               0.00000824895613
                   +2 :              -0.00001235609149
             12 vec=    10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000362316441
                2s
                   +0 :               0.00000266173259
                3s
                   +0 :              -0.00000838496293
                2p
                   -1 :               0.00005671074362
                   +0 :               0.00010103645678
                   +1 :               0.00005809071260
                3p
                   -1 :              -0.00005677461132
                   +0 :              -0.00008478313841
                   +1 :              -0.00007464514532
                3d
                   -2 :              -0.00000216455930
                   -1 :              -0.00001267074674
                   +0 :              -0.00000296322896
                   +1 :              -0.00000234590328
                   +2 :              -0.00000242128442
             13 vec=    10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000941665908
                2s
                   +0 :               0.00008731394516
                3s
                   +0 :              -0.00002260083592
                2p
                   -1 :              -0.00002089650033
                   +0 :              -0.00006196949836
                   +1 :               0.00012460952346
                3p
                   -1 :               0.00004972417656
                   +0 :              -0.00000970150252
                   +1 :              -0.00005434161985
                3d
                   -2 :               0.00000249897109
                   -1 :              -0.00000152565599
                   +0 :               0.00000287574405
                   +1 :               0.00000361150992
                   +2 :              -0.00000176472402
             14 vec=    10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001183771249
                2s
                   +0 :               0.00009878183382
                3s
                   +0 :              -0.00002188375336
                2p
                   -1 :               0.00000142608779
                   +0 :               0.00003274991342
                   +1 :               0.00001428532896
                3p
                   -1 :               0.00001203657349
                   +0 :              -0.00000058037532
                   +1 :               0.00001940269461
                3d
                   -2 :               0.00000067466525
                   -1 :               0.00000194581183
                   +0 :              -0.00000019427348
                   +1 :              -0.00000039092827
                   +2 :               0.00000172471333
             15 vec=   -12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001454512202
                2s
                   +0 :              -0.00009419008577
                3s
                   +0 :               0.00005782842980
                2p
                   -1 :              -0.00003597665660
                   +0 :               0.00009381765534
                   +1 :               0.00007470465756
                3p
                   -1 :               0.00000911138731
                   +0 :              -0.00005519546461
                   +1 :              -0.00006365368971
                3d
                   -2 :              -0.00000638914549
                   -1 :              -0.00000273958990
                   +0 :               0.00000488515927
                   +1 :               0.00000857266647
                   +2 :               0.00000930835637
             16 vec=   -12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002210099558
                2s
                   +0 :              -0.00015476361521
                3s
                   +0 :               0.00003946144396
                2p
                   -1 :              -0.00003562755836
                   +0 :              -0.00008628022470
                   +1 :              -0.00003483136881
                3p
                   -1 :               0.00005084077715
                   +0 :              -0.00001899490116
                   +1 :               0.00003608193796
                3d
                   -2 :              -0.00000736249900
                   -1 :               0.00001396169736
                   +0 :              -0.00000628363195
                   +1 :               0.00001669993727
                   +2 :              -0.00000047948973
             17 vec=    -4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000439585776
                2s
                   +0 :              -0.00006023338696
                3s
                   +0 :               0.00000213590814
                2p
                   -1 :               0.00009135621067
                   +0 :               0.00001252826242
                   +1 :               0.00000885915658
                3p
                   -1 :              -0.00005115538283
                   +0 :               0.00000442749642
                   +1 :              -0.00000287460568
                3d
                   -2 :               0.00000257920230
                   -1 :               0.00000274338094
                   +0 :              -0.00000315993131
                   +1 :               0.00000195659689
                   +2 :              -0.00000027159640
             18 vec=    -4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000084122177
                2s
                   +0 :              -0.00000095425271
                3s
                   +0 :               0.00000927368246
                2p
                   -1 :              -0.00000408760591
                   +0 :               0.00006299204612
                   +1 :               0.00003079186430
                3p
                   -1 :              -0.00003553958970
                   +0 :              -0.00000454912229
                   +1 :              -0.00001224615302
                3d
                   -2 :               0.00000427537068
                   -1 :              -0.00000657247658
                   +0 :               0.00000195664589
                   +1 :              -0.00000449877920
                   +2 :               0.00000071841724
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 15)  npairs=  14
              1 vec=    -2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005417113202
                2s
                   +0 :              -0.00045332530401
                3s
                   +0 :               0.00025581924727
                2p
                   -1 :              -0.00007548414433
                   +0 :               0.00036552791150
                   +1 :               0.00011513196971
                3p
                   -1 :               0.00006394269866
                   +0 :              -0.00032627219849
                   +1 :              -0.00000620233238
                3d
                   -2 :               0.00001094510213
                   -1 :               0.00000422268664
                   +0 :               0.00001670999848
                   +1 :               0.00000972657252
                   +2 :               0.00000453507793
              2 vec=    -2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00008718568439
                2s
                   +0 :               0.00085234946716
                3s
                   +0 :              -0.00029038234298
                2p
                   -1 :               0.00024767476450
                   +0 :               0.00056834326311
                   +1 :               0.00032215724909
                3p
                   -1 :              -0.00015883754651
                   +0 :              -0.00031620857431
                   +1 :              -0.00025645024102
                3d
                   -2 :              -0.00000399112762
                   -1 :              -0.00001843716784
                   +0 :              -0.00002430492995
                   +1 :              -0.00001189123508
                   +2 :              -0.00001241424364
              3 vec=     5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00001690238716
                2s
                   +0 :              -0.00032188798328
                3s
                   +0 :               0.00002064508820
                2p
                   -1 :              -0.00053827126076
                   +0 :               0.00023501856100
                   +1 :              -0.00055455052568
                3p
                   -1 :               0.00009848423935
                   +0 :              -0.00004536234001
                   +1 :               0.00020835766880
                3d
                   -2 :              -0.00001167419847
                   -1 :               0.00000559010774
                   +0 :              -0.00000509323161
                   +1 :               0.00001464064323
                   +2 :              -0.00001588565387
              4 vec=     5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004768985755
                2s
                   +0 :               0.00006078695371
                3s
                   +0 :              -0.00024709348059
                2p
                   -1 :              -0.00071322628520
                   +0 :              -0.00004551217119
                   +1 :              -0.00000279707521
                3p
                   -1 :               0.00029148465084
                   +0 :              -0.00017807681343
                   +1 :              -0.00019005963012
                3d
                   -2 :               0.00000754997909
                   -1 :              -0.00000750177386
                   +0 :              -0.00001586485693
                   +1 :              -0.00004620136219
                   +2 :               0.00000935904944
              5 vec=    -2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00006799061592
                2s
                   +0 :              -0.00057668391056
                3s
                   +0 :               0.00013482862088
                2p
                   -1 :               0.00028895930143
                   +0 :               0.00050324162060
                   +1 :               0.00010476068196
                3p
                   -1 :              -0.00007132727126
                   +0 :              -0.00011139254274
                   +1 :              -0.00008622875697
                3d
                   -2 :               0.00000984952184
                   -1 :              -0.00001370922453
                   +0 :              -0.00000835203591
                   +1 :               0.00001030134895
                   +2 :              -0.00000674921063
              6 vec=    -2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002352776496
                2s
                   +0 :              -0.00033056952679
                3s
                   +0 :               0.00005728217813
                2p
                   -1 :              -0.00004310056825
                   +0 :              -0.00018184460280
                   +1 :              -0.00012644529646
                3p
                   -1 :               0.00008933704294
                   +0 :               0.00002553298859
                   +1 :               0.00001446448584
                3d
                   -2 :               0.00000807878929
                   -1 :               0.00000692530975
                   +0 :               0.00001033244286
                   +1 :              -0.00000778212867
                   +2 :               0.00000715293032
              7 vec=     5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00002048267458
                2s
                   +0 :               0.00011215639778
                3s
                   +0 :              -0.00005453817844
                2p
                   -1 :               0.00013844358239
                   +0 :              -0.00013299858670
                   +1 :              -0.00015062721485
                3p
                   -1 :              -0.00014532331695
                   +0 :               0.00014157661885
                   +1 :               0.00015095297353
                3d
                   -2 :              -0.00000296635060
                   -1 :               0.00001990640928
                   +0 :              -0.00003370695611
                   +1 :              -0.00000775279009
                   +2 :               0.00000225618708
              8 vec=     5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004659440739
                2s
                   +0 :               0.00044971114950
                3s
                   +0 :              -0.00007994139021
                2p
                   -1 :               0.00013818610627
                   +0 :               0.00040216502884
                   +1 :               0.00025757153204
                3p
                   -1 :              -0.00008036597376
                   +0 :              -0.00022498637995
                   +1 :              -0.00014228796521
                3d
                   -2 :              -0.00001452203289
                   -1 :               0.00001481503728
                   +0 :              -0.00000306776358
                   +1 :              -0.00000217633494
                   +2 :              -0.00000928405082
              9 vec=   -10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001820615984
                2s
                   +0 :               0.00012146334345
                3s
                   +0 :              -0.00007456257324
                2p
                   -1 :              -0.00013852383770
                   +0 :              -0.00012967403613
                   +1 :              -0.00002549878442
                3p
                   -1 :               0.00013319565690
                   +0 :               0.00010614161029
                   +1 :               0.00001196300536
                3d
                   -2 :              -0.00000984301074
                   -1 :              -0.00000328165970
                   +0 :              -0.00000956554305
                   +1 :              -0.00000285011593
                   +2 :               0.00000610217968
             10 vec=   -10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001384750512
                2s
                   +0 :               0.00004988293680
                3s
                   +0 :              -0.00002503459716
                2p
                   -1 :              -0.00008561529951
                   +0 :               0.00005972771495
                   +1 :              -0.00007453484194
                3p
                   -1 :               0.00003489841981
                   +0 :              -0.00003547850637
                   +1 :               0.00005207362146
                3d
                   -2 :               0.00000261946240
                   -1 :               0.00000221129431
                   +0 :               0.00000200369534
                   +1 :              -0.00000635668206
                   +2 :              -0.00000488876133
             11 vec=    -2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000701548889
                2s
                   +0 :              -0.00002647641362
                3s
                   +0 :               0.00003102933141
                2p
                   -1 :               0.00006266822122
                   +0 :               0.00016817109808
                   +1 :               0.00027727842295
                3p
                   -1 :              -0.00003638855996
                   +0 :              -0.00019648600020
                   +1 :              -0.00026177360634
                3d
                   -2 :              -0.00002029185002
                   -1 :               0.00000734322829
                   +0 :               0.00001148398500
                   +1 :               0.00002633577762
                   +2 :              -0.00000015984905
             12 vec=    -2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000471016150
                2s
                   +0 :              -0.00006259975954
                3s
                   +0 :               0.00002194598848
                2p
                   -1 :              -0.00009392961989
                   +0 :              -0.00005713506695
                   +1 :               0.00007251292006
                3p
                   -1 :               0.00007032771044
                   +0 :               0.00004033951141
                   +1 :              -0.00007241748905
                3d
                   -2 :               0.00000957708424
                   -1 :              -0.00001120106109
                   +0 :              -0.00001684732653
                   +1 :               0.00000464274827
                   +2 :              -0.00000603510772
             13 vec=   -10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002038102159
                2s
                   +0 :               0.00017552863607
                3s
                   +0 :              -0.00006749259453
                2p
                   -1 :               0.00005003949512
                   +0 :              -0.00020668831544
                   +1 :              -0.00011863295557
                3p
                   -1 :              -0.00002998058670
                   +0 :               0.00009513954746
                   +1 :               0.00005866924897
                3d
                   -2 :              -0.00000439741103
                   -1 :               0.00000448213867
                   +0 :              -0.00000682756070
                   +1 :               0.00000155566851
                   +2 :               0.00000247652757
             14 vec=   -10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000369848056
                2s
                   +0 :               0.00008799117074
                3s
                   +0 :               0.00003060177212
                2p
                   -1 :               0.00005771453997
                   +0 :               0.00003629042097
                   +1 :              -0.00006698139888
                3p
                   -1 :               0.00002055540920
                   +0 :               0.00002838515940
                   +1 :               0.00000561263791
                3d
                   -2 :              -0.00000458370559
                   -1 :               0.00001580906725
                   +0 :               0.00000513561072
                   +1 :              -0.00000117350956
                   +2 :              -0.00000994468368
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 16)  npairs=  12
              1 vec=    -4.767684     -0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00100704528915
                2s
                   +0 :               0.00277039014197
                3s
                   +0 :              -0.00204598386969
                2p
                   -1 :              -0.01153282544874
                   +0 :               0.00180657897618
                   +1 :               0.00558778866223
                3p
                   -1 :               0.00038724072434
                   +0 :              -0.00006935758262
                   +1 :              -0.00280437171623
                3d
                   -2 :               0.00122237054034
                   -1 :              -0.00009402892429
                   +0 :              -0.00073617163118
                   +1 :               0.00000670615621
                   +2 :               0.00007719261335
              2 vec=     3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00237034408574
                2s
                   +0 :              -0.04796321161472
                3s
                   +0 :               0.00362518812580
                2p
                   -1 :               0.02521238347323
                   +0 :              -0.00128373759713
                   +1 :              -0.02096367425605
                3p
                   -1 :               0.00149011057558
                   +0 :               0.00172007076096
                   +1 :               0.00251087188926
                3d
                   -2 :               0.00206141857602
                   -1 :              -0.00085762729136
                   +0 :               0.00118649051325
                   +1 :              -0.00050599355011
                   +2 :               0.00090481116306
              3 vec=     3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00001074413467
                2s
                   +0 :               0.03730889756492
                3s
                   +0 :               0.00484962223625
                2p
                   -1 :               0.01995450291038
                   +0 :              -0.00539149357274
                   +1 :               0.01728316896233
                3p
                   -1 :               0.00630271672946
                   +0 :               0.00593757556603
                   +1 :               0.00720978429093
                3d
                   -2 :               0.00324500542548
                   -1 :               0.00082396165859
                   +0 :              -0.00175661084494
                   +1 :               0.00036956682818
                   +2 :              -0.00096979123632
              4 vec=    -4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00042912774545
                2s
                   +0 :              -0.00522939127015
                3s
                   +0 :               0.00033092994369
                2p
                   -1 :               0.00697829549229
                   +0 :               0.00043582753685
                   +1 :               0.00262139725216
                3p
                   -1 :              -0.00089007865546
                   +0 :              -0.00010531393829
                   +1 :              -0.00028580951242
                3d
                   -2 :              -0.00027434915370
                   -1 :              -0.00006635731152
                   +0 :               0.00010761789686
                   +1 :              -0.00004719989306
                   +2 :               0.00018460492454
              5 vec=    -4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00098911761434
                2s
                   +0 :               0.00841492208067
                3s
                   +0 :              -0.00211854037770
                2p
                   -1 :               0.00553826896264
                   +0 :               0.00002829680828
                   +1 :              -0.00647237081082
                3p
                   -1 :               0.00004195806002
                   +0 :               0.00007951254469
                   +1 :               0.00242506471172
                3d
                   -2 :              -0.00027138155715
                   -1 :               0.00019189380728
                   +0 :              -0.00041324618458
                   +1 :               0.00000773870954
                   +2 :              -0.00035806137479
              6 vec=    10.792642      0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00021703138353
                2s
                   +0 :              -0.00112039351439
                3s
                   +0 :               0.00075698631019
                2p
                   -1 :              -0.00111758193694
                   +0 :               0.00053928755004
                   +1 :              -0.00068157622051
                3p
                   -1 :               0.00049368300079
                   +0 :              -0.00049935289850
                   +1 :               0.00064940864896
                3d
                   -2 :              -0.00002669785311
                   -1 :               0.00006572689607
                   +0 :              -0.00004334553510
                   +1 :              -0.00002772128234
                   +2 :               0.00008962396282
              7 vec=   -12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00004280476877
                2s
                   +0 :              -0.00073932210102
                3s
                   +0 :               0.00005118894992
                2p
                   -1 :               0.00019633199460
                   +0 :              -0.00000688331752
                   +1 :               0.00029881499423
                3p
                   -1 :              -0.00016871963123
                   +0 :               0.00001341794594
                   +1 :               0.00019795726095
                3d
                   -2 :              -0.00000745165180
                   -1 :              -0.00000124173280
                   +0 :               0.00001402135716
                   +1 :               0.00000107063137
                   +2 :              -0.00005058873141
              8 vec=   -12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00005565328900
                2s
                   +0 :              -0.00018759803892
                3s
                   +0 :               0.00015946036766
                2p
                   -1 :              -0.00008210932906
                   +0 :               0.00014157675747
                   +1 :              -0.00016620718758
                3p
                   -1 :               0.00007627562755
                   +0 :              -0.00013381816416
                   +1 :               0.00005586511876
                3d
                   -2 :              -0.00000710877225
                   -1 :              -0.00001131309257
                   +0 :               0.00001475635883
                   +1 :               0.00000325773695
                   +2 :              -0.00000328129480
              9 vec=     3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00003203578752
                2s
                   +0 :              -0.00062795905966
                3s
                   +0 :              -0.00000824746344
                2p
                   -1 :               0.00049506756554
                   +0 :               0.00010317508132
                   +1 :              -0.00035801291407
                3p
                   -1 :               0.00001213056333
                   +0 :              -0.00007275176198
                   +1 :               0.00030758842945
                3d
                   -2 :              -0.00004595727423
                   -1 :              -0.00000983524661
                   +0 :               0.00002562689802
                   +1 :              -0.00000955953955
                   +2 :               0.00001376820063
             10 vec=     3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00006627412648
                2s
                   +0 :               0.00093081947041
                3s
                   +0 :              -0.00017679722067
                2p
                   -1 :               0.00061166376741
                   +0 :              -0.00002912834295
                   +1 :              -0.00044020661956
                3p
                   -1 :              -0.00013136685156
                   +0 :               0.00003216150311
                   +1 :               0.00027203510964
                3d
                   -2 :               0.00001439373337
                   -1 :               0.00001493580624
                   +0 :              -0.00001930717947
                   +1 :              -0.00001888480012
                   +2 :              -0.00000317098780
             11 vec=    10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00004950610348
                2s
                   +0 :              -0.00058187454747
                3s
                   +0 :               0.00009019322718
                2p
                   -1 :              -0.00013210852013
                   +0 :              -0.00020060904348
                   +1 :              -0.00054229048986
                3p
                   -1 :              -0.00001200905362
                   +0 :               0.00017803044889
                   +1 :               0.00020573345114
                3d
                   -2 :              -0.00002297305036
                   -1 :              -0.00001091049687
                   +0 :              -0.00000520891996
                   +1 :              -0.00000307244824
                   +2 :               0.00000273915365
             12 vec=    10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00002625115560
                2s
                   +0 :              -0.00004379845203
                3s
                   +0 :               0.00005331889085
                2p
                   -1 :              -0.00008768907583
                   +0 :               0.00016047147214
                   +1 :              -0.00016109706093
                3p
                   -1 :              -0.00004462128930
                   +0 :              -0.00015064141330
                   +1 :               0.00012773651402
                3d
                   -2 :              -0.00002533679812
                   -1 :              -0.00000458648360
                   +0 :              -0.00000389369083
                   +1 :              -0.00000710739863
                   +2 :               0.00000195564639
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 17)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00083149184815
                2s
                   +0 :              -0.00143304893721
                3s
                   +0 :              -0.00356008039047
                2p
                   -1 :               0.87816676243227
                   +0 :              -0.02589825989256
                   +1 :              -0.00852276526562
                3p
                   -1 :              -0.04301992546935
                   +0 :               0.00951731964801
                   +1 :               0.00385675145500
                3d
                   -2 :              -0.00072277127771
                   -1 :               0.00227673156179
                   +0 :              -0.00075444168708
                   +1 :               0.00184494869606
                   +2 :              -0.00292830781814
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00006890186834
                2s
                   +0 :              -0.00059087743318
                3s
                   +0 :              -0.00006677864863
                2p
                   -1 :              -0.00231490587812
                   +0 :               0.00043373081868
                   +1 :               0.00372608885168
                3p
                   -1 :               0.00028046963206
                   +0 :              -0.00041243802561
                   +1 :              -0.00107779076876
                3d
                   -2 :               0.00013189201741
                   -1 :               0.00004012335065
                   +0 :              -0.00002799194131
                   +1 :               0.00004310853771
                   +2 :              -0.00006825112469
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00036965340687
                2s
                   +0 :               0.00186431272045
                3s
                   +0 :              -0.00122081469386
                2p
                   -1 :              -0.00199416935453
                   +0 :              -0.00029131788538
                   +1 :              -0.00184265400847
                3p
                   -1 :               0.00030545093860
                   +0 :               0.00037753562652
                   +1 :               0.00139046679484
                3d
                   -2 :               0.00019079743922
                   -1 :               0.00004735735636
                   +0 :              -0.00000775393276
                   +1 :               0.00002182429413
                   +2 :              -0.00001446283731
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00026054910778
                2s
                   +0 :              -0.00142803253783
                3s
                   +0 :               0.00043028365952
                2p
                   -1 :               0.00121573037198
                   +0 :              -0.00142940201256
                   +1 :               0.00065407806280
                3p
                   -1 :               0.00007396961829
                   +0 :               0.00134342228179
                   +1 :              -0.00129300114693
                3d
                   -2 :               0.00023822338635
                   -1 :              -0.00000170208426
                   +0 :               0.00013345689764
                   +1 :              -0.00000140111888
                   +2 :              -0.00013758854571
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00006451613643
                2s
                   +0 :              -0.00000523777546
                3s
                   +0 :               0.00020590882296
                2p
                   -1 :               0.00024322016559
                   +0 :               0.00012237011083
                   +1 :               0.00249704998632
                3p
                   -1 :               0.00076916074614
                   +0 :              -0.00011829456877
                   +1 :              -0.00096176571185
                3d
                   -2 :               0.00013204139159
                   -1 :              -0.00001585861407
                   +0 :               0.00016680478298
                   +1 :              -0.00015535108667
                   +2 :              -0.00020295635666
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028144058703
                2s
                   +0 :              -0.00177557849179
                3s
                   +0 :               0.00083632722825
                2p
                   -1 :              -0.00234589439044
                   +0 :              -0.00010631751465
                   +1 :              -0.00374833864599
                3p
                   -1 :               0.00067335501273
                   +0 :               0.00002915067209
                   +1 :               0.00162263214431
                3d
                   -2 :               0.00002697639391
                   -1 :              -0.00007416873109
                   +0 :              -0.00008743996384
                   +1 :               0.00001119278082
                   +2 :              -0.00007174413991
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027684935201
                2s
                   +0 :               0.00099175793445
                3s
                   +0 :              -0.00013924309106
                2p
                   -1 :              -0.00119426290999
                   +0 :               0.00004774657676
                   +1 :               0.00164667939449
                3p
                   -1 :              -0.00072444525714
                   +0 :              -0.00009935647902
                   +1 :               0.00060973481630
                3d
                   -2 :              -0.00029573806695
                   -1 :              -0.00001108010515
                   +0 :              -0.00006072994605
                   +1 :               0.00020623199416
                   +2 :               0.00033059736993
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002955519649
                2s
                   +0 :              -0.00020850121168
                3s
                   +0 :               0.00010752991681
                2p
                   -1 :              -0.00013491433244
                   +0 :              -0.00013064543355
                   +1 :               0.00021991229217
                3p
                   -1 :               0.00008085352220
                   +0 :               0.00012273373551
                   +1 :              -0.00014333177419
                3d
                   -2 :              -0.00000488760019
                   -1 :               0.00000126170086
                   +0 :              -0.00000662991188
                   +1 :               0.00000349964688
                   +2 :               0.00000841592254
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00009658307122
                2s
                   +0 :              -0.00111920367121
                3s
                   +0 :               0.00015477581224
                2p
                   -1 :               0.00083718590235
                   +0 :               0.00006933516117
                   +1 :               0.00057905838940
                3p
                   -1 :              -0.00005596031107
                   +0 :              -0.00007177522470
                   +1 :              -0.00005890109369
                3d
                   -2 :              -0.00005532808490
                   -1 :               0.00001836523782
                   +0 :               0.00003414000013
                   +1 :              -0.00001249023538
                   +2 :               0.00001797111652
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008122089927
                2s
                   +0 :               0.00106031050704
                3s
                   +0 :              -0.00012677451712
                2p
                   -1 :               0.00087272698289
                   +0 :              -0.00009888848092
                   +1 :              -0.00097229998460
                3p
                   -1 :              -0.00010520435988
                   +0 :               0.00005917202029
                   +1 :               0.00026704433712
                3d
                   -2 :              -0.00004066182734
                   -1 :               0.00000241631915
                   +0 :              -0.00001212257740
                   +1 :              -0.00000771069533
                   +2 :              -0.00002675557973
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005910088118
                2s
                   +0 :              -0.00083966133511
                3s
                   +0 :               0.00006338774256
                2p
                   -1 :               0.00081985268734
                   +0 :              -0.00013271827096
                   +1 :              -0.00030499351645
                3p
                   -1 :              -0.00006756902285
                   +0 :               0.00008485213605
                   +1 :              -0.00001525913254
                3d
                   -2 :               0.00003282355498
                   -1 :              -0.00000029218374
                   +0 :               0.00002143177779
                   +1 :               0.00000713802925
                   +2 :               0.00002615094238
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000124338811
                2s
                   +0 :               0.00056134844539
                3s
                   +0 :               0.00007716875888
                2p
                   -1 :               0.00086664694037
                   +0 :               0.00033628321609
                   +1 :               0.00074056507654
                3p
                   -1 :              -0.00020801687195
                   +0 :              -0.00032602425322
                   +1 :              -0.00026102815969
                3d
                   -2 :              -0.00000512194456
                   -1 :              -0.00004797795462
                   +0 :               0.00001194240040
                   +1 :              -0.00000631967897
                   +2 :              -0.00003468515271
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001611954978
                2s
                   +0 :               0.00010100959047
                3s
                   +0 :              -0.00005679199362
                2p
                   -1 :              -0.00003269370406
                   +0 :               0.00012632811577
                   +1 :              -0.00008425104939
                3p
                   -1 :              -0.00000700485490
                   +0 :              -0.00011010607897
                   +1 :               0.00009203031965
                3d
                   -2 :               0.00001192577318
                   -1 :               0.00000157621936
                   +0 :              -0.00001975116494
                   +1 :              -0.00000802603728
                   +2 :               0.00001464356175
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000613963722
                2s
                   +0 :              -0.00006444932051
                3s
                   +0 :               0.00000799434074
                2p
                   -1 :               0.00004443744934
                   +0 :              -0.00000141842904
                   +1 :               0.00005199281220
                3p
                   -1 :               0.00000749085340
                   +0 :              -0.00000353183959
                   +1 :              -0.00001959122736
                3d
                   -2 :              -0.00000303790772
                   -1 :               0.00000005210848
                   +0 :               0.00000018065193
                   +1 :              -0.00000049568327
                   +2 :               0.00000558877649
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001896099744
                2s
                   +0 :               0.00016457654538
                3s
                   +0 :              -0.00004364050318
                2p
                   -1 :              -0.00000182963071
                   +0 :               0.00004900149545
                   +1 :              -0.00019094534645
                3p
                   -1 :               0.00000638080604
                   +0 :              -0.00004710549845
                   +1 :               0.00008594596626
                3d
                   -2 :              -0.00000074163246
                   -1 :              -0.00000278319058
                   +0 :              -0.00000281392710
                   +1 :               0.00000382098997
                   +2 :               0.00000036637852
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002575928975
                2s
                   +0 :              -0.00026170190166
                3s
                   +0 :               0.00006233493277
                2p
                   -1 :               0.00021690832097
                   +0 :               0.00002412968992
                   +1 :               0.00006259026216
                3p
                   -1 :              -0.00004926596347
                   +0 :              -0.00002525370944
                   +1 :              -0.00004467965610
                3d
                   -2 :               0.00000177242786
                   -1 :               0.00000539620629
                   +0 :               0.00000277072377
                   +1 :              -0.00000402971708
                   +2 :              -0.00000019455574
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001117771180
                2s
                   +0 :               0.00015513298877
                3s
                   +0 :              -0.00001751829970
                2p
                   -1 :               0.00016492425503
                   +0 :              -0.00006446746606
                   +1 :               0.00001584318768
                3p
                   -1 :              -0.00001479993674
                   +0 :               0.00004425120519
                   +1 :              -0.00001652078706
                3d
                   -2 :              -0.00000191073362
                   -1 :               0.00000428586426
                   +0 :              -0.00000391982645
                   +1 :               0.00000473218458
                   +2 :               0.00000128726990
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000042694247
                2s
                   +0 :              -0.00003453797520
                3s
                   +0 :              -0.00001373659442
                2p
                   -1 :              -0.00002251254486
                   +0 :              -0.00004947915982
                   +1 :              -0.00003817812572
                3p
                   -1 :               0.00002438040827
                   +0 :               0.00003869503128
                   +1 :              -0.00002782449437
                3d
                   -2 :               0.00000101199815
                   -1 :              -0.00000096283191
                   +0 :               0.00000222634009
                   +1 :               0.00000381035650
                   +2 :              -0.00000280659130
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000634959813
                2s
                   +0 :               0.00005695845575
                3s
                   +0 :              -0.00000363989187
                2p
                   -1 :               0.00004824411507
                   +0 :               0.00001665939514
                   +1 :               0.00000905492828
                3p
                   -1 :              -0.00000175812261
                   +0 :              -0.00001010359497
                   +1 :               0.00001724315377
                3d
                   -2 :              -0.00000047109965
                   -1 :              -0.00000342937130
                   +0 :               0.00000066708510
                   +1 :              -0.00000254238984
                   +2 :              -0.00000305953068
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 18)  npairs=  12
              1 vec=    -2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00483161185707
                2s
                   +0 :              -0.10066805348577
                3s
                   +0 :               0.01123244348660
                2p
                   -1 :               0.05090104150379
                   +0 :              -0.00294051071364
                   +1 :               0.02868324650851
                3p
                   -1 :              -0.00769258553143
                   +0 :               0.00336298794244
                   +1 :              -0.00095253847931
                3d
                   -2 :              -0.00355673579296
                   -1 :              -0.00054701662988
                   +0 :               0.00242760860956
                   +1 :               0.00068940238214
                   +2 :               0.00011527428895
              2 vec=    -2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00105390721535
                2s
                   +0 :               0.04726700172251
                3s
                   +0 :               0.00221221151659
                2p
                   -1 :               0.03067455046205
                   +0 :              -0.00333639437156
                   +1 :              -0.01821174113358
                3p
                   -1 :               0.00280052982461
                   +0 :               0.00388511941791
                   +1 :              -0.00366409724787
                3d
                   -2 :              -0.00284135681265
                   -1 :              -0.00010618457120
                   +0 :              -0.00168873848115
                   +1 :              -0.00124982426741
                   +2 :              -0.00144764414357
              3 vec=     5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00132604544643
                2s
                   +0 :               0.00752292845970
                3s
                   +0 :              -0.00488913089311
                2p
                   -1 :              -0.00450056306527
                   +0 :              -0.00441417037330
                   +1 :               0.00718275900960
                3p
                   -1 :              -0.00078220789384
                   +0 :               0.00429850321929
                   +1 :              -0.00664720543733
                3d
                   -2 :              -0.00089379779813
                   -1 :              -0.00012179378143
                   +0 :               0.00020514179402
                   +1 :               0.00007426551603
                   +2 :              -0.00051982421541
              4 vec=   -10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00002907847027
                2s
                   +0 :               0.00004568119870
                3s
                   +0 :              -0.00000771385380
                2p
                   -1 :              -0.00013733589553
                   +0 :               0.00025999853431
                   +1 :              -0.00019869115422
                3p
                   -1 :              -0.00018736869355
                   +0 :              -0.00023470519287
                   +1 :               0.00056142803616
                3d
                   -2 :              -0.00000847993824
                   -1 :              -0.00004063678546
                   +0 :               0.00011315639366
                   +1 :               0.00003154991879
                   +2 :              -0.00009185183105
              5 vec=     5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00069469597069
                2s
                   +0 :              -0.00640148624286
                3s
                   +0 :               0.00144023778508
                2p
                   -1 :               0.00660214751572
                   +0 :               0.00032944323808
                   +1 :              -0.00196904451659
                3p
                   -1 :              -0.00182056722485
                   +0 :              -0.00013255069247
                   +1 :              -0.00053127697371
                3d
                   -2 :               0.00028137122749
                   -1 :              -0.00005614987288
                   +0 :               0.00016317775350
                   +1 :               0.00014072961708
                   +2 :               0.00001737332632
              6 vec=     5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00097118439192
                2s
                   +0 :               0.00770082896806
                3s
                   +0 :              -0.00254554810608
                2p
                   -1 :               0.00594075159485
                   +0 :               0.00167774965705
                   +1 :               0.00398496903859
                3p
                   -1 :              -0.00210964995828
                   +0 :              -0.00159828520136
                   +1 :              -0.00160367809770
                3d
                   -2 :              -0.00000533363381
                   -1 :              -0.00007533337871
                   +0 :              -0.00003121613888
                   +1 :              -0.00005673076646
                   +2 :              -0.00003724710535
              7 vec=   -10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00000386018024
                2s
                   +0 :              -0.00016311966977
                3s
                   +0 :              -0.00004705119953
                2p
                   -1 :              -0.00036752201749
                   +0 :               0.00008308300980
                   +1 :               0.00001433907976
                3p
                   -1 :               0.00013113464473
                   +0 :              -0.00008998740361
                   +1 :               0.00005247091046
                3d
                   -2 :               0.00003335638353
                   -1 :              -0.00000935697228
                   +0 :               0.00001876311187
                   +1 :               0.00000097632699
                   +2 :               0.00001714985215
              8 vec=    -2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00003628585174
                2s
                   +0 :              -0.00077821913044
                3s
                   +0 :              -0.00006602135704
                2p
                   -1 :               0.00001626788147
                   +0 :               0.00000274740370
                   +1 :              -0.00037026350217
                3p
                   -1 :               0.00028672945439
                   +0 :               0.00000301354561
                   +1 :               0.00002453573103
                3d
                   -2 :               0.00003428655567
                   -1 :              -0.00000666049987
                   +0 :               0.00001630188195
                   +1 :               0.00000776517991
                   +2 :              -0.00001117135515
              9 vec=   -10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00003025748572
                2s
                   +0 :              -0.00002182995631
                3s
                   +0 :               0.00013172642068
                2p
                   -1 :              -0.00029914536764
                   +0 :               0.00013711614418
                   +1 :              -0.00011206190591
                3p
                   -1 :               0.00004326262437
                   +0 :              -0.00012335124443
                   +1 :              -0.00017772909765
                3d
                   -2 :               0.00002332961843
                   -1 :               0.00000245309410
                   +0 :              -0.00003783459366
                   +1 :              -0.00000321021070
                   +2 :               0.00005444648213
             10 vec=    13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00002669151920
                2s
                   +0 :              -0.00036685198451
                3s
                   +0 :               0.00005866545427
                2p
                   -1 :               0.00015530657842
                   +0 :               0.00004114573201
                   +1 :              -0.00019825668807
                3p
                   -1 :              -0.00022254562492
                   +0 :              -0.00001973240883
                   +1 :              -0.00010302284878
                3d
                   -2 :              -0.00001952860816
                   -1 :               0.00000005442093
                   +0 :               0.00002238019604
                   +1 :               0.00000807801640
                   +2 :              -0.00004928699713
             11 vec=    -2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00010723948501
                2s
                   +0 :               0.00108705430809
                3s
                   +0 :              -0.00025809111036
                2p
                   -1 :               0.00072064977943
                   +0 :              -0.00019615168704
                   +1 :               0.00052087406794
                3p
                   -1 :              -0.00033727002554
                   +0 :               0.00015845371160
                   +1 :              -0.00022126606738
                3d
                   -2 :               0.00000858735259
                   -1 :               0.00000263486661
                   +0 :               0.00002453078188
                   +1 :              -0.00000211870483
                   +2 :               0.00003251546681
             12 vec=    13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00006043440069
                2s
                   +0 :               0.00065503342033
                3s
                   +0 :              -0.00015005148647
                2p
                   -1 :               0.00013530173955
                   +0 :               0.00001811500844
                   +1 :               0.00042774703748
                3p
                   -1 :              -0.00006663207798
                   +0 :              -0.00003269404762
                   +1 :              -0.00000299856049
                3d
                   -2 :              -0.00000133077299
                   -1 :               0.00000196102107
                   +0 :              -0.00000429105326
                   +1 :              -0.00001074058838
                   +2 :               0.00002318571697
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 19)  npairs=  14
              1 vec=    -2.593128      1.739106     -4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00298281404760
                2s
                   +0 :               0.03451373044952
                3s
                   +0 :              -0.00618162954602
                2p
                   -1 :               0.00228945054467
                   +0 :              -0.01225810734710
                   +1 :              -0.01085224864852
                3p
                   -1 :              -0.00297195888803
                   +0 :              -0.00220429891619
                   +1 :               0.00061322833811
                3d
                   -2 :               0.00017520367164
                   -1 :               0.00082446710645
                   +0 :               0.00144574824113
                   +1 :               0.00167080347621
                   +2 :               0.00078498941098
              2 vec=     5.187034     -2.752773     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00061806803806
                2s
                   +0 :              -0.00432195148729
                3s
                   +0 :               0.00267389462405
                2p
                   -1 :               0.00372130899697
                   +0 :               0.00584796796320
                   +1 :              -0.00239869928185
                3p
                   -1 :              -0.00318096947423
                   +0 :              -0.00420795727515
                   +1 :               0.00172262071737
                3d
                   -2 :              -0.00006272802241
                   -1 :               0.00047520068282
                   +0 :               0.00029925511846
                   +1 :              -0.00051748025573
                   +2 :              -0.00003777601824
              3 vec=    -2.593128     -7.244652     -4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00008231578869
                2s
                   +0 :              -0.00040817987491
                3s
                   +0 :              -0.00003756124108
                2p
                   -1 :               0.00172173845092
                   +0 :               0.00326842035819
                   +1 :               0.00062888927359
                3p
                   -1 :              -0.00076028061497
                   +0 :              -0.00062053761137
                   +1 :              -0.00111530719437
                3d
                   -2 :               0.00011725308438
                   -1 :               0.00004132377573
                   +0 :              -0.00014224853263
                   +1 :               0.00012129522788
                   +2 :              -0.00013833246140
              4 vec=     5.187034      6.230985     -4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00036679440761
                2s
                   +0 :               0.00206691766835
                3s
                   +0 :              -0.00070264896817
                2p
                   -1 :              -0.00132656952551
                   +0 :              -0.00236640165524
                   +1 :               0.00071948892547
                3p
                   -1 :               0.00099987835853
                   +0 :               0.00015812152357
                   +1 :              -0.00022442634819
                3d
                   -2 :               0.00016950699991
                   -1 :              -0.00015060948371
                   +0 :               0.00001564109062
                   +1 :              -0.00022333130354
                   +2 :              -0.00000725799140
              5 vec=   -10.373291     -2.752773     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00015601292731
                2s
                   +0 :               0.00077544255818
                3s
                   +0 :              -0.00036735501605
                2p
                   -1 :              -0.00045626227298
                   +0 :               0.00060199480704
                   +1 :              -0.00063670852418
                3p
                   -1 :               0.00021805286442
                   +0 :              -0.00046951290936
                   +1 :               0.00038577635776
                3d
                   -2 :               0.00002558896382
                   -1 :               0.00003675095047
                   +0 :              -0.00007053601112
                   +1 :               0.00005451817034
                   +2 :               0.00000923366158
              6 vec=    -2.593128     10.722864     -4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00000846631350
                2s
                   +0 :               0.00017052742414
                3s
                   +0 :               0.00011835490653
                2p
                   -1 :               0.00065074273768
                   +0 :              -0.00064952403156
                   +1 :              -0.00013010684468
                3p
                   -1 :              -0.00036827770123
                   +0 :               0.00051678687031
                   +1 :               0.00005698726183
                3d
                   -2 :              -0.00004028718445
                   -1 :               0.00001626697866
                   +0 :              -0.00008808086628
                   +1 :              -0.00002634572690
                   +2 :              -0.00004067602100
              7 vec=   -10.373291      6.230985     -4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00005787783958
                2s
                   +0 :               0.00045334871867
                3s
                   +0 :              -0.00018034111528
                2p
                   -1 :               0.00013878418117
                   +0 :               0.00018377211102
                   +1 :               0.00005857354579
                3p
                   -1 :              -0.00009882325092
                   +0 :              -0.00015653740879
                   +1 :              -0.00005535880480
                3d
                   -2 :              -0.00000830831000
                   -1 :              -0.00001512775956
                   +0 :               0.00000707977632
                   +1 :              -0.00000568016347
                   +2 :               0.00000346336089
              8 vec=     5.187034    -11.736531     -4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00001732350979
                2s
                   +0 :              -0.00025321652140
                3s
                   +0 :              -0.00016478242765
                2p
                   -1 :              -0.00021981470048
                   +0 :               0.00016019950236
                   +1 :               0.00016920559234
                3p
                   -1 :               0.00034986488620
                   +0 :               0.00013779294421
                   +1 :              -0.00011963741129
                3d
                   -2 :               0.00000612552261
                   -1 :              -0.00001449457551
                   +0 :              -0.00003604799643
                   +1 :              -0.00002054882080
                   +2 :               0.00001792795042
              9 vec=    12.967197      1.739106     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00010507988328
                2s
                   +0 :               0.00076806678802
                3s
                   +0 :              -0.00030693392453
                2p
                   -1 :              -0.00019084259696
                   +0 :              -0.00015672371656
                   +1 :               0.00027063803495
                3p
                   -1 :               0.00014740791439
                   +0 :               0.00008843701806
                   +1 :              -0.00008739557921
                3d
                   -2 :               0.00003492417352
                   -1 :              -0.00000057861766
                   +0 :               0.00000236312724
                   +1 :               0.00000355983981
                   +2 :              -0.00000437120530
             10 vec=    12.967197     -7.244652     -4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00000939501228
                2s
                   +0 :              -0.00007275687510
                3s
                   +0 :              -0.00001231083243
                2p
                   -1 :              -0.00008795143629
                   +0 :               0.00011946400118
                   +1 :              -0.00008643736442
                3p
                   -1 :               0.00006443805723
                   +0 :              -0.00007415965119
                   +1 :               0.00001030879657
                3d
                   -2 :               0.00000533950667
                   -1 :               0.00000693468965
                   +0 :              -0.00000756511344
                   +1 :              -0.00000789028404
                   +2 :               0.00000496619647
             11 vec=   -10.373291    -11.736531     -4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00002486149531
                2s
                   +0 :              -0.00017747170372
                3s
                   +0 :               0.00004336750890
                2p
                   -1 :               0.00012620120533
                   +0 :              -0.00011461027680
                   +1 :               0.00018457401052
                3p
                   -1 :              -0.00005702236813
                   +0 :               0.00013690031554
                   +1 :              -0.00005194358811
                3d
                   -2 :               0.00000489388834
                   -1 :              -0.00000899888572
                   +0 :               0.00000370734830
                   +1 :              -0.00000742611988
                   +2 :               0.00000325496468
             12 vec=     5.187034     15.214743     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00001456064234
                2s
                   +0 :               0.00015656679116
                3s
                   +0 :              -0.00005410200005
                2p
                   -1 :              -0.00003480189474
                   +0 :               0.00004521910198
                   +1 :               0.00000996018034
                3p
                   -1 :               0.00010674401210
                   +0 :              -0.00006122975079
                   +1 :               0.00003106324969
                3d
                   -2 :               0.00001965370924
                   -1 :               0.00001244902694
                   +0 :              -0.00000603963598
                   +1 :              -0.00000093945503
                   +2 :              -0.00000037024339
             13 vec=    -2.593128    -16.228410     -4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00002169890424
                2s
                   +0 :              -0.00013188910279
                3s
                   +0 :               0.00003800328772
                2p
                   -1 :               0.00003094770162
                   +0 :              -0.00005974362560
                   +1 :               0.00003286120761
                3p
                   -1 :               0.00003539686151
                   +0 :               0.00005786086611
                   +1 :              -0.00001726213722
                3d
                   -2 :              -0.00000942619687
                   -1 :               0.00000104617764
                   +0 :              -0.00000249337455
                   +1 :              -0.00000161250169
                   +2 :               0.00000575457701
             14 vec=    12.967197     10.722864     -4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00000061365515
                2s
                   +0 :               0.00001366495750
                3s
                   +0 :               0.00000511816388
                2p
                   -1 :              -0.00002516391485
                   +0 :              -0.00001936390951
                   +1 :               0.00004615599184
                3p
                   -1 :               0.00004750246867
                   +0 :               0.00003834252392
                   +1 :              -0.00000787693741
                3d
                   -2 :               0.00000101346991
                   -1 :              -0.00000219161160
                   +0 :              -0.00000489519607
                   +1 :               0.00000427721793
                   +2 :               0.00000293842640
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 20)  npairs=  14
              1 vec=     0.418832     -2.752773     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00164954747500
                2s
                   +0 :              -0.05076681254196
                3s
                   +0 :               0.00320250889276
                2p
                   -1 :               0.00990919407118
                   +0 :               0.03496375060401
                   +1 :              -0.00287285133873
                3p
                   -1 :              -0.00006472794577
                   +0 :              -0.00568958467760
                   +1 :               0.00209988124588
                3d
                   -2 :               0.00015416559801
                   -1 :              -0.00046387987478
                   +0 :              -0.00149206536950
                   +1 :              -0.00030851232448
                   +2 :               0.00066627580507
              2 vec=     0.418832      6.230985     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00001229119973
                2s
                   +0 :               0.00035182842804
                3s
                   +0 :              -0.00007860801194
                2p
                   -1 :               0.00478675965195
                   +0 :               0.00334959999203
                   +1 :              -0.00312809982795
                3p
                   -1 :              -0.00228846413722
                   +0 :              -0.00443999003080
                   +1 :               0.00313460907047
                3d
                   -2 :              -0.00002104469197
                   -1 :               0.00037054079630
                   +0 :               0.00038958884479
                   +1 :               0.00012949276613
                   +2 :               0.00032963973379
              3 vec=    -7.361331      1.739106     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00022458937290
                2s
                   +0 :              -0.00170540034717
                3s
                   +0 :               0.00104108317385
                2p
                   -1 :              -0.00105031589778
                   +0 :               0.00502652855847
                   +1 :               0.00010585943666
                3p
                   -1 :               0.00057469007465
                   +0 :              -0.00280567659021
                   +1 :              -0.00066154506562
                3d
                   -2 :              -0.00009982232345
                   -1 :               0.00002412703209
                   +0 :              -0.00009396043582
                   +1 :               0.00028200270117
                   +2 :               0.00007465252506
              4 vec=     8.198995      1.739106     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00011328117237
                2s
                   +0 :              -0.00059893864802
                3s
                   +0 :               0.00048981032377
                2p
                   -1 :              -0.00182670865704
                   +0 :              -0.00021454300248
                   +1 :              -0.00085659820691
                3p
                   -1 :               0.00165718819438
                   +0 :               0.00064967867490
                   +1 :               0.00122926723631
                3d
                   -2 :               0.00011746091852
                   -1 :              -0.00001481042033
                   +0 :              -0.00008204547033
                   +1 :               0.00004154891069
                   +2 :               0.00008142060516
              5 vec=    -7.361331     -7.244652     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00018150792893
                2s
                   +0 :               0.00064177322086
                3s
                   +0 :              -0.00058660570087
                2p
                   -1 :              -0.00007430586165
                   +0 :               0.00062308680744
                   +1 :              -0.00033102239015
                3p
                   -1 :               0.00017079317634
                   +0 :              -0.00008519261456
                   +1 :               0.00072810304533
                3d
                   -2 :              -0.00003311676867
                   -1 :               0.00000500709081
                   +0 :              -0.00000095185012
                   +1 :              -0.00000322052578
                   +2 :              -0.00003550372987
              6 vec=     8.198995     -7.244652     -4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00008504571712
                2s
                   +0 :               0.00026387711628
                3s
                   +0 :              -0.00018005874986
                2p
                   -1 :               0.00021389356213
                   +0 :              -0.00027352914028
                   +1 :               0.00061105304465
                3p
                   -1 :              -0.00020649005261
                   +0 :               0.00024963946836
                   +1 :              -0.00076646342473
                3d
                   -2 :               0.00003837642782
                   -1 :               0.00000290676925
                   +0 :               0.00007135550382
                   +1 :              -0.00003880304458
                   +2 :              -0.00001663883711
              7 vec=     0.418832    -11.736531     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001091880022
                2s
                   +0 :              -0.00054904532929
                3s
                   +0 :              -0.00002791553666
                2p
                   -1 :               0.00075826824603
                   +0 :               0.00060513158595
                   +1 :               0.00013305685186
                3p
                   -1 :              -0.00051533099505
                   +0 :              -0.00053452334434
                   +1 :              -0.00011755925038
                3d
                   -2 :               0.00000157392946
                   -1 :               0.00008324190326
                   +0 :               0.00002885827400
                   +1 :              -0.00000268448252
                   +2 :              -0.00000461029753
              8 vec=    -7.361331     10.722864     -4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00002955598523
                2s
                   +0 :               0.00024601354408
                3s
                   +0 :               0.00018216877555
                2p
                   -1 :              -0.00013195498419
                   +0 :              -0.00060736101632
                   +1 :               0.00008100736819
                3p
                   -1 :               0.00013245424799
                   +0 :               0.00010881847851
                   +1 :              -0.00029941329931
                3d
                   -2 :              -0.00001032867163
                   -1 :               0.00000473072573
                   +0 :               0.00000974643526
                   +1 :               0.00003165239584
                   +2 :               0.00000978417345
              9 vec=     8.198995     10.722864     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00006380714372
                2s
                   +0 :               0.00059586774831
                3s
                   +0 :              -0.00015285309828
                2p
                   -1 :               0.00008025682557
                   +0 :              -0.00022591804005
                   +1 :               0.00046843751633
                3p
                   -1 :              -0.00007516438091
                   +0 :               0.00004040716617
                   +1 :              -0.00028797965303
                3d
                   -2 :              -0.00003536449270
                   -1 :               0.00000111707508
                   +0 :               0.00001399004234
                   +1 :               0.00001521826781
                   +2 :               0.00000220010833
             10 vec=     0.418832     15.214743     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000189676938
                2s
                   +0 :               0.00004924684320
                3s
                   +0 :               0.00001040548281
                2p
                   -1 :               0.00005044356670
                   +0 :              -0.00008139347696
                   +1 :              -0.00012174445633
                3p
                   -1 :              -0.00001674806509
                   +0 :               0.00000142691504
                   +1 :               0.00011456100932
                3d
                   -2 :               0.00000646012005
                   -1 :               0.00000518899180
                   +0 :               0.00000209376342
                   +1 :              -0.00000753186080
                   +2 :              -0.00001112665802
             11 vec=   -15.141493     -2.752773     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00002149072889
                2s
                   +0 :              -0.00010134389833
                3s
                   +0 :               0.00005200529367
                2p
                   -1 :              -0.00006570614139
                   +0 :               0.00013145519174
                   +1 :              -0.00003277252833
                3p
                   -1 :               0.00002353448797
                   +0 :              -0.00008698702172
                   +1 :               0.00003808529483
                3d
                   -2 :              -0.00000671860987
                   -1 :               0.00000594170620
                   +0 :               0.00000202337484
                   +1 :               0.00001346678442
                   +2 :              -0.00000187683874
             12 vec=    15.979157     -2.752773     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00001130940120
                2s
                   +0 :               0.00006708650684
                3s
                   +0 :              -0.00003636867695
                2p
                   -1 :              -0.00016797615138
                   +0 :               0.00002704941883
                   +1 :              -0.00006079427620
                3p
                   -1 :               0.00012393619742
                   +0 :              -0.00000464285495
                   +1 :               0.00005993251859
                3d
                   -2 :               0.00000182356192
                   -1 :               0.00000287898052
                   +0 :              -0.00000410128987
                   +1 :              -0.00000249532178
                   +2 :               0.00000733584193
             13 vec=   -15.141493      6.230985     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000903316060
                2s
                   +0 :               0.00006882560294
                3s
                   +0 :              -0.00003255726943
                2p
                   -1 :              -0.00004188348452
                   +0 :              -0.00002145779253
                   +1 :              -0.00016123609227
                3p
                   -1 :               0.00004445164444
                   +0 :               0.00000279247882
                   +1 :               0.00012726747495
                3d
                   -2 :              -0.00000478306780
                   -1 :              -0.00000052438111
                   +0 :               0.00000255807984
                   +1 :               0.00000410255013
                   +2 :              -0.00000075497462
             14 vec=    15.979157      6.230985     -4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00001089440096
                2s
                   +0 :               0.00008522762725
                3s
                   +0 :              -0.00002614291364
                2p
                   -1 :               0.00010098657042
                   +0 :              -0.00003677809202
                   +1 :               0.00006759179258
                3p
                   -1 :              -0.00007933118585
                   +0 :               0.00001186454536
                   +1 :              -0.00003756050403
                3d
                   -2 :              -0.00000904692448
                   -1 :              -0.00000304592540
                   +0 :               0.00000312287005
                   +1 :               0.00000141852410
                   +2 :              -0.00000344513545
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 21)  npairs=  14
              1 vec=     2.802933      1.376611     -4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00220511075427
                2s
                   +0 :               0.02670236487785
                3s
                   +0 :              -0.00552891739904
                2p
                   -1 :               0.00579681190818
                   +0 :              -0.01154757818695
                   +1 :               0.01405374441788
                3p
                   -1 :              -0.00803300072947
                   +0 :               0.00071032967736
                   +1 :              -0.00448789503610
                3d
                   -2 :              -0.00045165908951
                   -1 :               0.00131166743725
                   +0 :               0.00049799991847
                   +1 :              -0.00114135567750
                   +2 :               0.00077630034876
              2 vec=    -4.977229     -3.115268     -4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00038065537555
                2s
                   +0 :              -0.00172114789871
                3s
                   +0 :               0.00132082429170
                2p
                   -1 :               0.00541908464739
                   +0 :              -0.00078060680314
                   +1 :               0.00082889611235
                3p
                   -1 :              -0.00529133469813
                   +0 :               0.00103800214719
                   +1 :              -0.00062684709552
                3d
                   -2 :               0.00016382389116
                   -1 :               0.00006360077307
                   +0 :              -0.00013698137276
                   +1 :               0.00012340450083
                   +2 :               0.00004755631465
              3 vec=    -4.977229      5.868490     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00016423501921
                2s
                   +0 :              -0.00145852390664
                3s
                   +0 :               0.00068028233952
                2p
                   -1 :               0.00095717434968
                   +0 :              -0.00115870280888
                   +1 :               0.00030653956751
                3p
                   -1 :              -0.00090289958852
                   +0 :               0.00039015979495
                   +1 :              -0.00050745509728
                3d
                   -2 :               0.00008207880561
                   -1 :              -0.00000932839463
                   +0 :               0.00005350703033
                   +1 :               0.00009041116593
                   +2 :               0.00013597447449
              4 vec=     2.802933     -7.607147     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00019846978781
                2s
                   +0 :              -0.00102169070100
                3s
                   +0 :               0.00037208867497
                2p
                   -1 :               0.00168278187527
                   +0 :               0.00269709112987
                   +1 :               0.00013390826365
                3p
                   -1 :              -0.00097409258721
                   +0 :              -0.00182741022727
                   +1 :               0.00012389719010
                3d
                   -2 :              -0.00003154832131
                   -1 :               0.00006198477362
                   +0 :              -0.00001703041429
                   +1 :              -0.00000789661236
                   +2 :              -0.00005518868365
              5 vec=     2.802933     10.360369     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00007985344830
                2s
                   +0 :               0.00095564008549
                3s
                   +0 :              -0.00031734556988
                2p
                   -1 :               0.00133019182970
                   +0 :              -0.00000259282462
                   +1 :               0.00020204491207
                3p
                   -1 :              -0.00091206336430
                   +0 :              -0.00021896264390
                   +1 :               0.00005089400817
                3d
                   -2 :               0.00004346012313
                   -1 :              -0.00006159704089
                   +0 :               0.00004123706804
                   +1 :              -0.00010789168940
                   +2 :               0.00006381121644
              6 vec=    10.583096     -3.115268     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00000001784182
                2s
                   +0 :              -0.00016598697271
                3s
                   +0 :               0.00007426543630
                2p
                   -1 :               0.00013391988582
                   +0 :               0.00080677555301
                   +1 :               0.00020225722588
                3p
                   -1 :              -0.00029380493861
                   +0 :              -0.00065609300922
                   +1 :              -0.00011960612272
                3d
                   -2 :              -0.00001268302492
                   -1 :               0.00003395935723
                   +0 :              -0.00009554572788
                   +1 :              -0.00004037131839
                   +2 :              -0.00000958715161
              7 vec=    10.583096      5.868490     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00001392617603
                2s
                   +0 :               0.00038482565095
                3s
                   +0 :              -0.00001188483521
                2p
                   -1 :               0.00047096311369
                   +0 :              -0.00042973952641
                   +1 :              -0.00010547219596
                3p
                   -1 :              -0.00025047475353
                   +0 :               0.00027241321592
                   +1 :               0.00010093696999
                3d
                   -2 :               0.00002289813057
                   -1 :              -0.00001897322031
                   +0 :               0.00000035619044
                   +1 :               0.00001728220476
                   +2 :               0.00002109174452
              8 vec=   -12.757392      1.376611     -4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00004786775237
                2s
                   +0 :               0.00038121109077
                3s
                   +0 :              -0.00010171181804
                2p
                   -1 :              -0.00035507293169
                   +0 :              -0.00010432071648
                   +1 :              -0.00016209958411
                3p
                   -1 :               0.00030360988589
                   +0 :               0.00005446282141
                   +1 :              -0.00000187127753
                3d
                   -2 :              -0.00003208930604
                   -1 :               0.00002346795712
                   +0 :               0.00002218088793
                   +1 :              -0.00001119636282
                   +2 :               0.00002098275444
              9 vec=    -4.977229    -12.099026     -4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00000309001883
                2s
                   +0 :              -0.00042400732853
                3s
                   +0 :              -0.00009573609988
                2p
                   -1 :              -0.00025204426980
                   +0 :               0.00025385602371
                   +1 :              -0.00005263643895
                3p
                   -1 :               0.00039863314406
                   +0 :               0.00008844029038
                   +1 :               0.00003836771427
                3d
                   -2 :              -0.00000762996962
                   -1 :              -0.00001512742122
                   +0 :              -0.00002143271787
                   +1 :               0.00002048151255
                   +2 :               0.00001057401097
             10 vec=   -12.757392     -7.607147     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00001994793486
                2s
                   +0 :              -0.00013259519192
                3s
                   +0 :               0.00002551997215
                2p
                   -1 :               0.00009111329617
                   +0 :               0.00007803492859
                   +1 :               0.00015947551452
                3p
                   -1 :              -0.00007825470759
                   +0 :              -0.00005927662910
                   +1 :              -0.00005806084239
                3d
                   -2 :               0.00000681021605
                   -1 :              -0.00000432036182
                   +0 :              -0.00000840995020
                   +1 :               0.00000561568511
                   +2 :              -0.00000429222912
             11 vec=    -4.977229     14.852248     -4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000183190819
                2s
                   +0 :               0.00010156033891
                3s
                   +0 :              -0.00001293368194
                2p
                   -1 :               0.00013100247992
                   +0 :              -0.00009689385739
                   +1 :              -0.00004385523616
                3p
                   -1 :              -0.00001238183428
                   +0 :               0.00004088967583
                   +1 :               0.00000672599033
                3d
                   -2 :              -0.00000234902406
                   -1 :               0.00000882619566
                   +0 :              -0.00001706034544
                   +1 :              -0.00000743851409
                   +2 :               0.00000266917280
             12 vec=    10.583096    -12.099026     -4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00003343132880
                2s
                   +0 :              -0.00022863154686
                3s
                   +0 :               0.00007104725745
                2p
                   -1 :               0.00005271705710
                   +0 :              -0.00011610876352
                   +1 :              -0.00012412917075
                3p
                   -1 :               0.00001896983388
                   +0 :               0.00016228037648
                   +1 :               0.00002504452388
                3d
                   -2 :              -0.00000115241712
                   -1 :              -0.00000138414911
                   +0 :               0.00000233847719
                   +1 :               0.00001274415448
                   +2 :              -0.00000358881026
             13 vec=   -12.757392     10.360369     -4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00001896795830
                2s
                   +0 :               0.00013310201983
                3s
                   +0 :              -0.00005081932574
                2p
                   -1 :               0.00008092878684
                   +0 :              -0.00004842982235
                   +1 :              -0.00004623933060
                3p
                   -1 :              -0.00005662613023
                   +0 :               0.00002318301703
                   +1 :               0.00000901371305
                3d
                   -2 :              -0.00000584826584
                   -1 :               0.00000192845384
                   +0 :               0.00000634995026
                   +1 :               0.00000095449261
                   +2 :               0.00000100376368
             14 vec=     2.802933    -16.590905     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00001728571930
                2s
                   +0 :              -0.00013495191471
                3s
                   +0 :               0.00003266221184
                2p
                   -1 :              -0.00005597316925
                   +0 :               0.00000208545639
                   +1 :              -0.00009536788896
                3p
                   -1 :               0.00011897413356
                   +0 :               0.00003538932209
                   +1 :               0.00006303535482
                3d
                   -2 :               0.00000627203560
                   -1 :              -0.00000098196754
                   +0 :              -0.00000481853063
                   +1 :              -0.00000199772386
                   +2 :               0.00000670430289
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 22)  npairs=  14
              1 vec=     0.419351     -0.000150      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00035479408352
                2s
                   +0 :               0.00197902445466
                3s
                   +0 :              -0.00073187950489
                2p
                   -1 :              -0.00291798834525
                   +0 :               0.00150519012545
                   +1 :              -0.00120266999245
                3p
                   -1 :               0.00116810813308
                   +0 :              -0.00037125985051
                   +1 :               0.00094510744162
                3d
                   -2 :               0.00009583028616
                   -1 :               0.00001083407219
                   +0 :               0.00020779640705
                   +1 :               0.00005400557048
                   +2 :               0.00007125131879
              2 vec=    -7.360812      4.491729      8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00001603718963
                2s
                   +0 :               0.00043876975161
                3s
                   +0 :              -0.00005259253254
                2p
                   -1 :               0.00036817271634
                   +0 :               0.00040021552028
                   +1 :              -0.00009889019408
                3p
                   -1 :              -0.00051065014171
                   +0 :              -0.00001056074509
                   +1 :              -0.00017667521399
                3d
                   -2 :               0.00003274175035
                   -1 :              -0.00001628963775
                   +0 :               0.00002039498202
                   +1 :               0.00000619087974
                   +2 :               0.00003491479175
              3 vec=    -7.360812     -4.492029      8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00007513664034
                2s
                   +0 :               0.00035899779791
                3s
                   +0 :              -0.00020357726495
                2p
                   -1 :               0.00021139941856
                   +0 :               0.00002979844346
                   +1 :               0.00144524502559
                3p
                   -1 :              -0.00035446111763
                   +0 :               0.00003243917299
                   +1 :              -0.00099852072372
                3d
                   -2 :               0.00005713306242
                   -1 :              -0.00004924269728
                   +0 :              -0.00000152705999
                   +1 :               0.00001136010007
                   +2 :              -0.00004604417210
              4 vec=     0.419351      8.983608      8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00023037466948
                2s
                   +0 :              -0.00110355877801
                3s
                   +0 :               0.00081118387610
                2p
                   -1 :              -0.00064040627892
                   +0 :              -0.00071307206846
                   +1 :               0.00200938410189
                3p
                   -1 :               0.00074139656740
                   +0 :               0.00063323300249
                   +1 :              -0.00171258624297
                3d
                   -2 :              -0.00010789260128
                   -1 :               0.00014329918299
                   +0 :               0.00009404663941
                   +1 :              -0.00011371336112
                   +2 :              -0.00005812664212
              5 vec=     0.419351     -8.983908      8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00011752788242
                2s
                   +0 :              -0.00125723799216
                3s
                   +0 :               0.00030857800816
                2p
                   -1 :               0.00119726624198
                   +0 :              -0.00064027752021
                   +1 :              -0.00042206031130
                3p
                   -1 :              -0.00052019820703
                   +0 :               0.00009088477639
                   +1 :               0.00030230140450
                3d
                   -2 :              -0.00002473602698
                   -1 :              -0.00003941425706
                   +0 :              -0.00004100551023
                   +1 :              -0.00000049196247
                   +2 :              -0.00001752769840
              6 vec=     8.199513      4.491729      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00002303591107
                2s
                   +0 :               0.00038356196080
                3s
                   +0 :              -0.00003807384457
                2p
                   -1 :              -0.00037195906952
                   +0 :               0.00020965915921
                   +1 :               0.00030783857884
                3p
                   -1 :               0.00020525501682
                   +0 :              -0.00006559511486
                   +1 :              -0.00006477636306
                3d
                   -2 :               0.00000948645174
                   -1 :              -0.00000312164809
                   +0 :               0.00000742585643
                   +1 :               0.00000665635621
                   +2 :              -0.00000986331889
              7 vec=     8.199513     -4.492029      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00004661563312
                2s
                   +0 :               0.00017106588363
                3s
                   +0 :              -0.00017267303287
                2p
                   -1 :              -0.00001438691724
                   +0 :              -0.00018545910992
                   +1 :              -0.00091725633221
                3p
                   -1 :              -0.00012888775744
                   +0 :               0.00009057321133
                   +1 :               0.00060702558638
                3d
                   -2 :              -0.00003352394894
                   -1 :              -0.00001567783941
                   +0 :               0.00000393433858
                   +1 :               0.00001873898769
                   +2 :              -0.00001160280063
              8 vec=     0.419351     -0.000150    -16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00001437410079
                2s
                   +0 :               0.00006938600453
                3s
                   +0 :              -0.00004575153008
                2p
                   -1 :              -0.00000600632459
                   +0 :              -0.00001569232875
                   +1 :              -0.00008510441186
                3p
                   -1 :              -0.00000872199811
                   +0 :               0.00001955133765
                   +1 :               0.00005644596765
                3d
                   -2 :               0.00000332239383
                   -1 :               0.00000102830657
                   +0 :               0.00000112698505
                   +1 :              -0.00000530310148
                   +2 :              -0.00001114164864
              9 vec=   -15.140975     -0.000150      8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00002195701106
                2s
                   +0 :               0.00015748280923
                3s
                   +0 :              -0.00009461984421
                2p
                   -1 :               0.00000288070624
                   +0 :               0.00003483169224
                   +1 :              -0.00010751603945
                3p
                   -1 :              -0.00002668881245
                   +0 :              -0.00002738318516
                   +1 :               0.00005812603368
                3d
                   -2 :               0.00000718311593
                   -1 :              -0.00000363166312
                   +0 :               0.00000340521376
                   +1 :              -0.00000250999890
                   +2 :               0.00000341562398
             10 vec=    -7.360812     13.475487      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00002695603023
                2s
                   +0 :               0.00019399572514
                3s
                   +0 :              -0.00006130337239
                2p
                   -1 :               0.00008666765153
                   +0 :               0.00004882503047
                   +1 :              -0.00027202825276
                3p
                   -1 :              -0.00000822432172
                   +0 :              -0.00000724803846
                   +1 :               0.00019581784160
                3d
                   -2 :               0.00000533386044
                   -1 :               0.00001142785416
                   +0 :              -0.00000469802574
                   +1 :               0.00000297980933
                   +2 :              -0.00001416970985
             11 vec=    -7.360812    -13.475787      8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00000923248872
                2s
                   +0 :               0.00002229076180
                3s
                   +0 :              -0.00003393101839
                2p
                   -1 :               0.00003287300427
                   +0 :              -0.00013304063480
                   +1 :               0.00009358313368
                3p
                   -1 :               0.00004449024587
                   +0 :               0.00000969282932
                   +1 :               0.00002330448941
                3d
                   -2 :              -0.00000748492446
                   -1 :              -0.00000157144878
                   +0 :               0.00000037167941
                   +1 :               0.00000202799070
                   +2 :               0.00000474572008
             12 vec=     8.199513     13.475487      8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000186613751
                2s
                   +0 :              -0.00001476220197
                3s
                   +0 :               0.00002993343224
                2p
                   -1 :              -0.00004277426340
                   +0 :              -0.00007608150666
                   +1 :               0.00000064246274
                3p
                   -1 :               0.00006596259217
                   +0 :               0.00007839805102
                   +1 :               0.00002048459510
                3d
                   -2 :               0.00000473126161
                   -1 :               0.00000560741062
                   +0 :               0.00000715683275
                   +1 :              -0.00000050806117
                   +2 :              -0.00000812867804
             13 vec=     8.199513    -13.475787      8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00002685115659
                2s
                   +0 :              -0.00021620657514
                3s
                   +0 :               0.00004448726735
                2p
                   -1 :               0.00012567968082
                   +0 :              -0.00007429910793
                   +1 :              -0.00011148354381
                3p
                   -1 :              -0.00006213463255
                   +0 :               0.00000808522592
                   +1 :               0.00000860089143
                3d
                   -2 :              -0.00000057275746
                   -1 :              -0.00000229661422
                   +0 :              -0.00000293247380
                   +1 :              -0.00000257000092
                   +2 :              -0.00000049077958
             14 vec=    15.979676     -0.000150      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000346356581
                2s
                   +0 :               0.00002998949622
                3s
                   +0 :              -0.00000629842384
                2p
                   -1 :              -0.00003367616784
                   +0 :               0.00006626287685
                   +1 :               0.00000568880816
                3p
                   -1 :               0.00001645094989
                   +0 :              -0.00005322896242
                   +1 :               0.00001070537747
                3d
                   -2 :               0.00000284727053
                   -1 :               0.00000015071125
                   +0 :              -0.00000157364102
                   +1 :              -0.00000271294808
                   +2 :               0.00000235035975
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 23)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00028291683797
                2s
                   +0 :               0.00215958796139
                3s
                   +0 :              -0.00043423782607
                2p
                   -1 :               0.00028355608773
                   +0 :               0.00174474018421
                   +1 :               0.00328661901486
                3p
                   -1 :              -0.00118482616091
                   +0 :               0.00031375988579
                   +1 :              -0.00157909865226
                3d
                   -2 :              -0.00018385336855
                   -1 :              -0.00014006043984
                   +0 :               0.00005592082656
                   +1 :               0.00001000588121
                   +2 :              -0.00011686762820
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00003229000610
                2s
                   +0 :              -0.00028951273219
                3s
                   +0 :               0.00023388747850
                2p
                   -1 :               0.00179735706424
                   +0 :               0.00186269594576
                   +1 :               0.00006234740624
                3p
                   -1 :              -0.00033218649772
                   +0 :              -0.00060183629710
                   +1 :               0.00015184664058
                3d
                   -2 :              -0.00004212738953
                   -1 :               0.00005893191290
                   +0 :              -0.00001350147120
                   +1 :               0.00009563852046
                   +2 :               0.00002812154439
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00025428854139
                2s
                   +0 :              -0.00258242241243
                3s
                   +0 :               0.00041267613614
                2p
                   -1 :              -0.00093118243885
                   +0 :              -0.00257736149692
                   +1 :               0.00264486675918
                3p
                   -1 :               0.00066234816593
                   +0 :               0.00068049385104
                   +1 :              -0.00044804601102
                3d
                   -2 :               0.00002823867587
                   -1 :               0.00007334164490
                   +0 :              -0.00001584343852
                   +1 :               0.00009126104793
                   +2 :              -0.00009533702831
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00000208505774
                2s
                   +0 :               0.00039348433303
                3s
                   +0 :              -0.00000971595845
                2p
                   -1 :               0.00067272848469
                   +0 :               0.00046487156889
                   +1 :              -0.00023518986956
                3p
                   -1 :              -0.00037151512526
                   +0 :              -0.00024571616381
                   +1 :               0.00016737560041
                3d
                   -2 :               0.00000187247775
                   -1 :              -0.00001006097450
                   +0 :              -0.00005743200300
                   +1 :              -0.00000974206083
                   +2 :               0.00003279383647
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001876941771
                2s
                   +0 :               0.00000754512405
                3s
                   +0 :              -0.00010916375880
                2p
                   -1 :              -0.00015739816530
                   +0 :               0.00013939975822
                   +1 :               0.00001512738502
                3p
                   -1 :               0.00014325042010
                   +0 :              -0.00019703152835
                   +1 :              -0.00012049724034
                3d
                   -2 :               0.00002098854117
                   -1 :              -0.00000492173657
                   +0 :              -0.00001120406942
                   +1 :              -0.00001203009810
                   +2 :               0.00000831046952
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00005870238630
                2s
                   +0 :               0.00037766565027
                3s
                   +0 :              -0.00001935293129
                2p
                   -1 :               0.00051067665155
                   +0 :              -0.00001924666384
                   +1 :              -0.00018375135879
                3p
                   -1 :              -0.00056258757880
                   +0 :              -0.00012966149854
                   +1 :              -0.00004246519416
                3d
                   -2 :               0.00001839130758
                   -1 :               0.00002289743094
                   +0 :              -0.00000199708654
                   +1 :              -0.00002476306362
                   +2 :               0.00003291488754
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000344948724
                2s
                   +0 :              -0.00002128500910
                3s
                   +0 :               0.00002154384614
                2p
                   -1 :              -0.00001987751192
                   +0 :               0.00002762842905
                   +1 :               0.00005698416768
                3p
                   -1 :               0.00002163496748
                   +0 :              -0.00003799547122
                   +1 :              -0.00002214908394
                3d
                   -2 :               0.00000839038419
                   -1 :               0.00000142883344
                   +0 :              -0.00000976182104
                   +1 :              -0.00000398782048
                   +2 :              -0.00000005415000
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000874431773
                2s
                   +0 :               0.00000478218441
                3s
                   +0 :              -0.00005141744428
                2p
                   -1 :              -0.00004408229433
                   +0 :              -0.00010502940352
                   +1 :               0.00009019536006
                3p
                   -1 :               0.00003255038709
                   +0 :               0.00006451253285
                   +1 :              -0.00015380347633
                3d
                   -2 :              -0.00000667372687
                   -1 :               0.00000882730272
                   +0 :               0.00001085677744
                   +1 :               0.00000545227826
                   +2 :              -0.00000899501943
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00004270360622
                2s
                   +0 :               0.00027247031241
                3s
                   +0 :              -0.00013681593820
                2p
                   -1 :               0.00033625768885
                   +0 :               0.00018730730346
                   +1 :               0.00006867644099
                3p
                   -1 :              -0.00021559726907
                   +0 :              -0.00011356242782
                   +1 :              -0.00008133263270
                3d
                   -2 :               0.00002723454937
                   -1 :              -0.00000744734288
                   +0 :               0.00000211526953
                   +1 :              -0.00000510871346
                   +2 :               0.00000998838814
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00002138352972
                2s
                   +0 :               0.00015676220071
                3s
                   +0 :              -0.00004257942930
                2p
                   -1 :              -0.00014586209338
                   +0 :               0.00009759593380
                   +1 :              -0.00026964263982
                3p
                   -1 :               0.00009921892150
                   +0 :              -0.00004099811843
                   +1 :               0.00016214955244
                3d
                   -2 :              -0.00000241667594
                   -1 :              -0.00000355122186
                   +0 :              -0.00000134614739
                   +1 :               0.00001294428633
                   +2 :              -0.00000711839564
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001220148133
                2s
                   +0 :              -0.00015406596664
                3s
                   +0 :               0.00000932450174
                2p
                   -1 :               0.00012316039014
                   +0 :              -0.00013622266261
                   +1 :               0.00009630131281
                3p
                   -1 :              -0.00001976764300
                   +0 :               0.00006046177428
                   +1 :              -0.00007668628859
                3d
                   -2 :               0.00000056734492
                   -1 :               0.00000777159314
                   +0 :              -0.00000031566343
                   +1 :              -0.00000877389979
                   +2 :               0.00000724380921
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00003040673560
                2s
                   +0 :              -0.00021820759333
                3s
                   +0 :               0.00007688097969
                2p
                   -1 :              -0.00006710647573
                   +0 :              -0.00023755423668
                   +1 :               0.00015180512128
                3p
                   -1 :               0.00010330970050
                   +0 :               0.00014953741513
                   +1 :              -0.00006615100838
                3d
                   -2 :              -0.00000794438897
                   -1 :               0.00001762637028
                   +0 :               0.00001257790995
                   +1 :              -0.00001176940236
                   +2 :               0.00000485091509
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000775987813
                2s
                   +0 :               0.00001490754861
                3s
                   +0 :              -0.00003253203150
                2p
                   -1 :              -0.00009288501906
                   +0 :              -0.00002144675022
                   +1 :               0.00007717545144
                3p
                   -1 :               0.00003889312147
                   +0 :               0.00006273469649
                   +1 :              -0.00006807710235
                3d
                   -2 :              -0.00000104243086
                   -1 :               0.00000325874609
                   +0 :              -0.00000010533178
                   +1 :               0.00000480213448
                   +2 :              -0.00000447957160
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001314346160
                2s
                   +0 :               0.00008574101931
                3s
                   +0 :              -0.00003169949031
                2p
                   -1 :              -0.00001163639831
                   +0 :              -0.00003310071101
                   +1 :               0.00000393518617
                3p
                   -1 :              -0.00000472949897
                   +0 :               0.00001353498007
                   +1 :              -0.00001240027074
                3d
                   -2 :              -0.00000753752185
                   -1 :               0.00000028975697
                   +0 :              -0.00000032756686
                   +1 :               0.00000291311706
                   +2 :               0.00000067205699
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001514998292
                2s
                   +0 :               0.00010413206038
                3s
                   +0 :              -0.00005706556510
                2p
                   -1 :               0.00003568890183
                   +0 :              -0.00006363364429
                   +1 :               0.00010121444166
                3p
                   -1 :              -0.00002507560783
                   +0 :               0.00003565429958
                   +1 :              -0.00007610730100
                3d
                   -2 :              -0.00000477487436
                   -1 :              -0.00000276362124
                   +0 :               0.00000232380014
                   +1 :               0.00000340658826
                   +2 :               0.00000274273432
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 24)  npairs=  15
              1 vec=     2.802933     -4.128636      8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00026618390483
                2s
                   +0 :              -0.00247498274505
                3s
                   +0 :               0.00049492601682
                2p
                   -1 :              -0.00059596303476
                   +0 :              -0.00408051485608
                   +1 :              -0.00361263591618
                3p
                   -1 :               0.00055769488646
                   +0 :               0.00093149701390
                   +1 :               0.00053081960595
                3d
                   -2 :              -0.00001556216684
                   -1 :               0.00000039015691
                   +0 :               0.00006860340725
                   +1 :              -0.00010358295383
                   +2 :              -0.00000392473219
              2 vec=    -4.977229      0.363243      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00004464298308
                2s
                   +0 :               0.00091099117072
                3s
                   +0 :               0.00020106126501
                2p
                   -1 :              -0.00340928380357
                   +0 :               0.00126542215422
                   +1 :              -0.00242228266585
                3p
                   -1 :               0.00222714310402
                   +0 :               0.00087137271263
                   +1 :               0.00061409255478
                3d
                   -2 :               0.00005567882431
                   -1 :               0.00014248505166
                   +0 :               0.00001873764644
                   +1 :              -0.00005002334735
                   +2 :               0.00008871792621
              3 vec=     2.802933      4.855122      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00005522508519
                2s
                   +0 :               0.00021107629026
                3s
                   +0 :               0.00004227907253
                2p
                   -1 :               0.00144837159811
                   +0 :              -0.00030348144832
                   +1 :              -0.00075845501903
                3p
                   -1 :              -0.00070435236375
                   +0 :               0.00096825767057
                   +1 :               0.00061871260366
                3d
                   -2 :              -0.00007242925280
                   -1 :              -0.00000551378339
                   +0 :              -0.00006811824104
                   +1 :              -0.00009019288641
                   +2 :              -0.00007055560540
              4 vec=    -4.977229     -8.620515      8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00009886087272
                2s
                   +0 :              -0.00089593567871
                3s
                   +0 :               0.00031159449209
                2p
                   -1 :               0.00076168612800
                   +0 :              -0.00017246641262
                   +1 :               0.00005173200525
                3p
                   -1 :              -0.00056314500156
                   +0 :               0.00015496200538
                   +1 :               0.00004342871572
                3d
                   -2 :               0.00002210891673
                   -1 :              -0.00005133575649
                   +0 :               0.00000902072647
                   +1 :              -0.00000941582325
                   +2 :              -0.00002080058071
              5 vec=    10.583096      0.363243      8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00000650807685
                2s
                   +0 :               0.00001021283125
                3s
                   +0 :               0.00007421067452
                2p
                   -1 :               0.00022266180549
                   +0 :              -0.00001572791488
                   +1 :               0.00004302342345
                3p
                   -1 :              -0.00024298733199
                   +0 :              -0.00005917498648
                   +1 :               0.00007834819890
                3d
                   -2 :               0.00001563710343
                   -1 :              -0.00000384232889
                   +0 :               0.00000109261999
                   +1 :               0.00001030861397
                   +2 :               0.00003344159580
              6 vec=    -4.977229      9.347001      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00002432028854
                2s
                   +0 :               0.00036305924426
                3s
                   +0 :              -0.00001386757669
                2p
                   -1 :               0.00001180330469
                   +0 :               0.00007555556074
                   +1 :               0.00015394423853
                3p
                   -1 :               0.00020071833772
                   +0 :               0.00002558347571
                   +1 :              -0.00017441881324
                3d
                   -2 :              -0.00000197036011
                   -1 :              -0.00003566663027
                   +0 :              -0.00001029117524
                   +1 :              -0.00000841530093
                   +2 :              -0.00001908529105
              7 vec=     2.802933    -13.112394      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00002271452784
                2s
                   +0 :              -0.00018169035047
                3s
                   +0 :               0.00004816646935
                2p
                   -1 :               0.00026282911906
                   +0 :              -0.00022445132325
                   +1 :              -0.00012719537677
                3p
                   -1 :              -0.00012575582590
                   +0 :               0.00014609498088
                   +1 :               0.00007271671764
                3d
                   -2 :               0.00000088644884
                   -1 :              -0.00000771324269
                   +0 :               0.00001107305709
                   +1 :               0.00000996657586
                   +2 :              -0.00000263843589
              8 vec=   -12.757392     -4.128636      8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00002526342084
                2s
                   +0 :               0.00012563820868
                3s
                   +0 :              -0.00007961711723
                2p
                   -1 :              -0.00025135403241
                   +0 :               0.00004567894877
                   +1 :              -0.00001922895806
                3p
                   -1 :               0.00016799183469
                   +0 :              -0.00003462960883
                   +1 :               0.00005239208402
                3d
                   -2 :               0.00000468474367
                   -1 :               0.00000059325918
                   +0 :              -0.00001956282344
                   +1 :               0.00000680413998
                   +2 :               0.00000421106031
              9 vec=    10.583096     -8.620515      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00005148942418
                2s
                   +0 :               0.00034791845234
                3s
                   +0 :              -0.00017226818339
                2p
                   -1 :              -0.00015383934112
                   +0 :               0.00000086892960
                   +1 :               0.00012449007715
                3p
                   -1 :               0.00012114890379
                   +0 :              -0.00004382385322
                   +1 :              -0.00008039886493
                3d
                   -2 :               0.00000261865107
                   -1 :              -0.00000696581015
                   +0 :              -0.00000189051964
                   +1 :              -0.00000555320208
                   +2 :               0.00001727675088
             10 vec=   -12.757392      4.855122      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00002537581098
                2s
                   +0 :              -0.00016519015231
                3s
                   +0 :               0.00009662171826
                2p
                   -1 :               0.00007422081744
                   +0 :              -0.00009490346606
                   +1 :               0.00000361532598
                3p
                   -1 :              -0.00007940490684
                   +0 :               0.00005196965731
                   +1 :              -0.00001883645393
                3d
                   -2 :               0.00000089077049
                   -1 :              -0.00000546280593
                   +0 :               0.00000110204321
                   +1 :               0.00000006196476
                   +2 :              -0.00000247911033
             11 vec=    10.583096      9.347001      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00002679084932
                2s
                   +0 :               0.00018683894072
                3s
                   +0 :              -0.00007953075416
                2p
                   -1 :               0.00018544540916
                   +0 :               0.00007463585829
                   +1 :               0.00019692843299
                3p
                   -1 :              -0.00015255776788
                   +0 :               0.00000450660204
                   +1 :              -0.00008501297226
                3d
                   -2 :              -0.00000739950778
                   -1 :              -0.00000929930583
                   +0 :               0.00001461900109
                   +1 :              -0.00000262553171
                   +2 :               0.00000192538879
             12 vec=     2.802933     13.838880      8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00004624556937
                2s
                   +0 :              -0.00019087029576
                3s
                   +0 :               0.00016733462947
                2p
                   -1 :               0.00012896304829
                   +0 :              -0.00019075044622
                   +1 :              -0.00030679470865
                3p
                   -1 :              -0.00002208192133
                   +0 :               0.00020896834355
                   +1 :               0.00027762914264
                3d
                   -2 :               0.00001094934645
                   -1 :               0.00001068923728
                   +0 :               0.00000604941731
                   +1 :               0.00000555873011
                   +2 :              -0.00000043768799
             13 vec=     2.802933     -4.128636    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00001119332952
                2s
                   +0 :              -0.00007349182967
                3s
                   +0 :               0.00004193913218
                2p
                   -1 :              -0.00001634099176
                   +0 :               0.00005747577901
                   +1 :               0.00001293260742
                3p
                   -1 :               0.00000288315683
                   +0 :              -0.00004740920410
                   +1 :              -0.00000172004544
                3d
                   -2 :              -0.00000163072746
                   -1 :               0.00000068790581
                   +0 :               0.00000929564768
                   +1 :               0.00000235073326
                   +2 :               0.00000354407920
             14 vec=    -4.977229      0.363243    -16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00000298223632
                2s
                   +0 :               0.00001232916391
                3s
                   +0 :              -0.00000873113040
                2p
                   -1 :              -0.00002559950316
                   +0 :              -0.00000210686702
                   +1 :              -0.00003875394030
                3p
                   -1 :               0.00003135077853
                   +0 :               0.00002062976643
                   +1 :               0.00001889324948
                3d
                   -2 :              -0.00000883140033
                   -1 :              -0.00000618280010
                   +0 :              -0.00000076972240
                   +1 :               0.00000364091305
                   +2 :               0.00000236740144
             15 vec=     2.802933      4.855122    -16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001200025035
                2s
                   +0 :               0.00008101100992
                3s
                   +0 :              -0.00002161246102
                2p
                   -1 :              -0.00004094387214
                   +0 :              -0.00000920098171
                   +1 :               0.00007588175772
                3p
                   -1 :               0.00000177588750
                   +0 :              -0.00004065842524
                   +1 :              -0.00002196543291
                3d
                   -2 :               0.00000533074782
                   -1 :               0.00000239495523
                   +0 :               0.00000590314760
                   +1 :              -0.00000373094313
                   +2 :               0.00000613309818
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 25)  npairs=  14
              1 vec=     2.593128      1.739405      4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00057180057452
                2s
                   +0 :               0.01582716772824
                3s
                   +0 :               0.00297348220985
                2p
                   -1 :              -0.00457123345242
                   +0 :               0.01281343816594
                   +1 :               0.00324268776715
                3p
                   -1 :               0.00119216971475
                   +0 :               0.00192813466199
                   +1 :               0.00532130529369
                3d
                   -2 :               0.00005289105539
                   -1 :              -0.00023939768148
                   +0 :               0.00130259677362
                   +1 :               0.00194173339389
                   +2 :               0.00074295242288
              2 vec=    -5.187034     -2.752474      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00132487286989
                2s
                   +0 :              -0.00885383169759
                3s
                   +0 :               0.00437021861399
                2p
                   -1 :               0.00817850411801
                   +0 :              -0.00098973353615
                   +1 :               0.00361133901850
                3p
                   -1 :              -0.00733759022061
                   +0 :               0.00031129935313
                   +1 :              -0.00169244981164
                3d
                   -2 :               0.00040788031478
                   -1 :              -0.00002559554164
                   +0 :              -0.00014892094647
                   +1 :              -0.00013254359158
                   +2 :               0.00005776082749
              3 vec=     2.593128     -7.244353      4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00001205665422
                2s
                   +0 :               0.00057123925119
                3s
                   +0 :              -0.00034531351778
                2p
                   -1 :               0.00263254888672
                   +0 :               0.00131105077302
                   +1 :              -0.00172600182434
                3p
                   -1 :              -0.00127099736278
                   +0 :              -0.00066255125752
                   +1 :               0.00101670587895
                3d
                   -2 :              -0.00008111007628
                   -1 :              -0.00005143817973
                   +0 :               0.00004256660303
                   +1 :              -0.00010817772999
                   +2 :              -0.00005792847673
              4 vec=    -5.187034      6.231284      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00020472807178
                2s
                   +0 :               0.00089020624833
                3s
                   +0 :              -0.00034749205646
                2p
                   -1 :              -0.00272216647558
                   +0 :               0.00358429756830
                   +1 :              -0.00029653596426
                3p
                   -1 :               0.00204708459964
                   +0 :              -0.00191656424527
                   +1 :              -0.00037311055564
                3d
                   -2 :              -0.00000171659183
                   -1 :               0.00006357404869
                   +0 :               0.00001086399127
                   +1 :               0.00008046302949
                   +2 :              -0.00003432942413
              5 vec=    10.373291     -2.752474      4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00006668625087
                2s
                   +0 :               0.00026664697234
                3s
                   +0 :              -0.00021714541474
                2p
                   -1 :              -0.00020092035600
                   +0 :               0.00003857163295
                   +1 :              -0.00012791351136
                3p
                   -1 :              -0.00001129579740
                   +0 :              -0.00005606236170
                   +1 :               0.00000701599211
                3d
                   -2 :              -0.00002025337347
                   -1 :              -0.00002080641278
                   +0 :              -0.00006538061183
                   +1 :              -0.00005734719381
                   +2 :              -0.00001092396474
              6 vec=     2.593128     10.723163      4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00001774379580
                2s
                   +0 :               0.00033839278133
                3s
                   +0 :              -0.00001051250194
                2p
                   -1 :              -0.00028016614458
                   +0 :               0.00095190710740
                   +1 :              -0.00079689394422
                3p
                   -1 :               0.00030936439789
                   +0 :              -0.00066565053170
                   +1 :               0.00075292689979
                3d
                   -2 :               0.00008243009714
                   -1 :              -0.00005309035330
                   +0 :               0.00008338571456
                   +1 :              -0.00003606549222
                   +2 :              -0.00006198713526
              7 vec=    10.373291      6.231284      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00001763812665
                2s
                   +0 :               0.00035166567703
                3s
                   +0 :              -0.00007919897276
                2p
                   -1 :               0.00004542118684
                   +0 :              -0.00049472705884
                   +1 :              -0.00009023404138
                3p
                   -1 :               0.00001721404364
                   +0 :               0.00036207827951
                   +1 :               0.00006606384843
                3d
                   -2 :              -0.00001462881272
                   -1 :               0.00001024649882
                   +0 :               0.00002252603984
                   +1 :              -0.00000010270504
                   +2 :              -0.00004137767086
              8 vec=    -5.187034    -11.736232      4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00006714987311
                2s
                   +0 :              -0.00095423138430
                3s
                   +0 :               0.00007572308035
                2p
                   -1 :               0.00050355440850
                   +0 :              -0.00066273257056
                   +1 :              -0.00018767479990
                3p
                   -1 :              -0.00024959060621
                   +0 :               0.00013818894796
                   +1 :               0.00016696876433
                3d
                   -2 :              -0.00001658758252
                   -1 :              -0.00000445940469
                   +0 :              -0.00003970575862
                   +1 :               0.00000441737756
                   +2 :               0.00002627255314
              9 vec=   -12.967197      1.739405      4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00006265479098
                2s
                   +0 :              -0.00029743158877
                3s
                   +0 :               0.00019136310693
                2p
                   -1 :               0.00006467637545
                   +0 :              -0.00017889324584
                   +1 :               0.00028078189730
                3p
                   -1 :              -0.00009035174315
                   +0 :               0.00013444046335
                   +1 :              -0.00032127831562
                3d
                   -2 :              -0.00000373101225
                   -1 :              -0.00001089081706
                   +0 :               0.00000033963049
                   +1 :              -0.00000688453244
                   +2 :               0.00003403571065
             10 vec=   -12.967197     -7.244353      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00001821347993
                2s
                   +0 :              -0.00014012665127
                3s
                   +0 :               0.00004576873457
                2p
                   -1 :              -0.00006243240685
                   +0 :              -0.00000592078216
                   +1 :               0.00001168940094
                3p
                   -1 :               0.00003570283411
                   +0 :              -0.00002315329054
                   +1 :               0.00005234852080
                3d
                   -2 :              -0.00001391797883
                   -1 :               0.00000888080918
                   +0 :               0.00000607196690
                   +1 :              -0.00000462531169
                   +2 :              -0.00000221531776
             11 vec=    10.373291    -11.736232      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00001021833212
                2s
                   +0 :              -0.00001233497800
                3s
                   +0 :              -0.00004386901430
                2p
                   -1 :               0.00002833413336
                   +0 :              -0.00003029433951
                   +1 :              -0.00007131417886
                3p
                   -1 :               0.00001761346376
                   +0 :              -0.00000973642823
                   +1 :              -0.00001885892028
                3d
                   -2 :              -0.00000107566090
                   -1 :              -0.00000687408412
                   +0 :               0.00000871911346
                   +1 :              -0.00000268522987
                   +2 :               0.00000186719526
             12 vec=    -5.187034     15.215042      4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00003918584297
                2s
                   +0 :               0.00027305305260
                3s
                   +0 :              -0.00008261798849
                2p
                   -1 :               0.00016697778166
                   +0 :              -0.00014299683187
                   +1 :              -0.00003342297459
                3p
                   -1 :              -0.00001896937680
                   +0 :               0.00019834118050
                   +1 :              -0.00001575059641
                3d
                   -2 :               0.00000514003335
                   -1 :               0.00001684192290
                   +0 :              -0.00000800944431
                   +1 :               0.00000318587510
                   +2 :              -0.00000767483285
             13 vec=     2.593128    -16.228111      4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00002950829811
                2s
                   +0 :              -0.00020677849109
                3s
                   +0 :               0.00006616550050
                2p
                   -1 :               0.00014009582952
                   +0 :              -0.00003615165258
                   +1 :              -0.00012154726952
                3p
                   -1 :              -0.00006063119565
                   +0 :              -0.00000233997450
                   +1 :               0.00009528276258
                3d
                   -2 :              -0.00000447216667
                   -1 :              -0.00000380588159
                   +0 :              -0.00000781042336
                   +1 :               0.00000276996546
                   +2 :               0.00001051422533
             14 vec=   -12.967197     10.723163      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00002595224687
                2s
                   +0 :               0.00015829118481
                3s
                   +0 :              -0.00006769457847
                2p
                   -1 :               0.00001361017176
                   +0 :              -0.00000425473372
                   +1 :               0.00004087847951
                3p
                   -1 :               0.00002475402758
                   +0 :               0.00002056402317
                   +1 :              -0.00005887670356
                3d
                   -2 :              -0.00000742781551
                   -1 :               0.00000221840185
                   +0 :               0.00000233491102
                   +1 :              -0.00000069301005
                   +2 :              -0.00000936484293
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 26)  npairs=  14
              1 vec=    -2.174037      1.739405      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00143176927495
                2s
                   +0 :               0.03462724930310
                3s
                   +0 :              -0.00332872778330
                2p
                   -1 :               0.00016488305024
                   +0 :               0.02160013529761
                   +1 :              -0.00984943176137
                3p
                   -1 :              -0.00557122157111
                   +0 :              -0.00138329533723
                   +1 :               0.00055859961053
                3d
                   -2 :               0.00010223405735
                   -1 :              -0.00112064128451
                   +0 :               0.00166252956329
                   +1 :              -0.00126682977698
                   +2 :               0.00111225696772
              2 vec=     5.606126     -2.752474      4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00018217131448
                2s
                   +0 :              -0.00136359110827
                3s
                   +0 :               0.00075478261876
                2p
                   -1 :               0.00171922784937
                   +0 :               0.00090014060832
                   +1 :              -0.00185993121244
                3p
                   -1 :              -0.00157294070840
                   +0 :              -0.00159613265041
                   +1 :               0.00049868377559
                3d
                   -2 :              -0.00012575021843
                   -1 :              -0.00003833038636
                   +0 :              -0.00022456201032
                   +1 :               0.00015022289681
                   +2 :               0.00014545734340
              3 vec=    -2.174037     -7.244353      4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00028064900458
                2s
                   +0 :              -0.00084310097114
                3s
                   +0 :               0.00014854375431
                2p
                   -1 :               0.00180075645999
                   +0 :               0.00257266544626
                   +1 :               0.00058898465860
                3p
                   -1 :              -0.00069892167940
                   +0 :              -0.00274845311363
                   +1 :              -0.00027302998389
                3d
                   -2 :               0.00003597049988
                   -1 :               0.00006482184016
                   +0 :              -0.00020213805719
                   +1 :              -0.00002103992437
                   +2 :              -0.00007231029480
              4 vec=     5.606126      6.231284      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00068017879748
                2s
                   +0 :               0.00404194983983
                3s
                   +0 :              -0.00162654695867
                2p
                   -1 :               0.00042851544022
                   +0 :               0.00164954308372
                   +1 :               0.00245829561306
                3p
                   -1 :              -0.00012430427797
                   +0 :               0.00015363748336
                   +1 :              -0.00167501549059
                3d
                   -2 :              -0.00020437798865
                   -1 :              -0.00010650734579
                   +0 :               0.00018885571092
                   +1 :               0.00005287718589
                   +2 :              -0.00007320844886
              5 vec=    -9.954199     -2.752474      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00005344993555
                2s
                   +0 :              -0.00055241497402
                3s
                   +0 :               0.00027998035611
                2p
                   -1 :              -0.00008526846927
                   +0 :              -0.00026918775952
                   +1 :               0.00178886122624
                3p
                   -1 :              -0.00012238313262
                   +0 :               0.00020147169116
                   +1 :              -0.00151891485214
                3d
                   -2 :               0.00007764289361
                   -1 :              -0.00001112698939
                   +0 :              -0.00017755858559
                   +1 :               0.00003034078553
                   +2 :               0.00011925423278
              6 vec=    -2.174037     10.723163      4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00004900749600
                2s
                   +0 :               0.00000433004200
                3s
                   +0 :               0.00014455737522
                2p
                   -1 :              -0.00023920622602
                   +0 :              -0.00032153954387
                   +1 :              -0.00056477365383
                3p
                   -1 :               0.00049635268572
                   +0 :               0.00029289715781
                   +1 :               0.00055145412129
                3d
                   -2 :              -0.00007174023554
                   -1 :              -0.00000735157381
                   +0 :              -0.00010224281918
                   +1 :              -0.00008175597969
                   +2 :              -0.00012122949289
              7 vec=    -9.954199      6.231284      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00002515293203
                2s
                   +0 :               0.00034692488157
                3s
                   +0 :              -0.00011106886130
                2p
                   -1 :               0.00006949679030
                   +0 :               0.00008349049784
                   +1 :              -0.00091893812153
                3p
                   -1 :               0.00002622306909
                   +0 :              -0.00029238695487
                   +1 :               0.00080224331412
                3d
                   -2 :              -0.00001439820324
                   -1 :              -0.00003627109255
                   +0 :               0.00000114397954
                   +1 :               0.00005073378727
                   +2 :              -0.00003622506272
              8 vec=     5.606126    -11.736232      4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00001496756130
                2s
                   +0 :              -0.00054532144156
                3s
                   +0 :              -0.00009693122030
                2p
                   -1 :               0.00006922613369
                   +0 :              -0.00028542493029
                   +1 :              -0.00011620897563
                3p
                   -1 :               0.00024435884180
                   +0 :              -0.00014977906579
                   +1 :               0.00002547348701
                3d
                   -2 :               0.00002631194428
                   -1 :               0.00002280437888
                   +0 :               0.00000645621760
                   +1 :              -0.00000504452701
                   +2 :               0.00001733946265
              9 vec=    13.386289      1.739405      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00002793189548
                2s
                   +0 :               0.00022709200350
                3s
                   +0 :              -0.00005223579622
                2p
                   -1 :              -0.00011876121895
                   +0 :              -0.00007585947773
                   +1 :              -0.00004804624766
                3p
                   -1 :               0.00007560029055
                   +0 :               0.00007464901773
                   +1 :               0.00016148596770
                3d
                   -2 :               0.00000111034157
                   -1 :               0.00000235588439
                   +0 :              -0.00000485066580
                   +1 :               0.00000773834136
                   +2 :               0.00002158765226
             10 vec=    13.386289     -7.244353      4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000371176821
                2s
                   +0 :               0.00000543287648
                3s
                   +0 :              -0.00002577789353
                2p
                   -1 :               0.00003594534545
                   +0 :               0.00004843016915
                   +1 :              -0.00004371233110
                3p
                   -1 :              -0.00004755995719
                   +0 :              -0.00007199960079
                   +1 :              -0.00000422615300
                3d
                   -2 :              -0.00000276866516
                   -1 :              -0.00000271114708
                   +0 :              -0.00000184578037
                   +1 :               0.00000284078860
                   +2 :              -0.00000529288853
             11 vec=    -9.954199    -11.736232      4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00006645721467
                2s
                   +0 :              -0.00048230206855
                3s
                   +0 :               0.00020655222307
                2p
                   -1 :               0.00025625096028
                   +0 :              -0.00003105560833
                   +1 :               0.00039435366186
                3p
                   -1 :              -0.00011711480315
                   +0 :               0.00001890599901
                   +1 :              -0.00025221675933
                3d
                   -2 :               0.00000890138616
                   -1 :               0.00000644714561
                   +0 :               0.00001362970284
                   +1 :               0.00000028623675
                   +2 :               0.00001342125645
             12 vec=     5.606126     15.215042      4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00000960303373
                2s
                   +0 :               0.00008745156012
                3s
                   +0 :              -0.00002488177773
                2p
                   -1 :               0.00025068025508
                   +0 :               0.00008741477853
                   +1 :               0.00035897533964
                3p
                   -1 :              -0.00019499679037
                   +0 :              -0.00004741857561
                   +1 :              -0.00031306280640
                3d
                   -2 :              -0.00002068358043
                   -1 :              -0.00000577338384
                   +0 :               0.00000913225531
                   +1 :              -0.00001139802224
                   +2 :               0.00000992181511
             13 vec=    -2.174037    -16.228111      4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00003188695742
                2s
                   +0 :              -0.00023277663016
                3s
                   +0 :               0.00008979830020
                2p
                   -1 :               0.00014355674714
                   +0 :              -0.00005725834044
                   +1 :               0.00018925294592
                3p
                   -1 :              -0.00005030453748
                   +0 :               0.00002669842559
                   +1 :              -0.00014505768099
                3d
                   -2 :               0.00001315375982
                   -1 :              -0.00000270989250
                   +0 :              -0.00000085171927
                   +1 :               0.00000088072694
                   +2 :               0.00000196792900
             14 vec=    13.386289     10.723163      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00000087302641
                2s
                   +0 :              -0.00000311770854
                3s
                   +0 :               0.00000892544886
                2p
                   -1 :              -0.00000780833602
                   +0 :              -0.00002428695876
                   +1 :              -0.00007887677329
                3p
                   -1 :               0.00000658380870
                   +0 :               0.00002495082516
                   +1 :               0.00009501256011
                3d
                   -2 :               0.00000153015972
                   -1 :              -0.00000109064255
                   +0 :              -0.00000523767814
                   +1 :               0.00000141810653
                   +2 :               0.00001127365597
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 27)  npairs=  14
              1 vec=     0.209546     -3.115867      4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00178869551768
                2s
                   +0 :              -0.04315625569970
                3s
                   +0 :               0.00252576134333
                2p
                   -1 :               0.01034884461613
                   +0 :              -0.02312418621919
                   +1 :               0.00165157283405
                3p
                   -1 :               0.00406578906744
                   +0 :              -0.00102604734808
                   +1 :              -0.00274941386225
                3d
                   -2 :               0.00008170260160
                   -1 :               0.00223151801911
                   +0 :              -0.00138078576843
                   +1 :               0.00069249397153
                   +2 :               0.00056542415855
              2 vec=     0.209546      5.867891      4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00139134792530
                2s
                   +0 :               0.01170803386309
                3s
                   +0 :              -0.00595106693506
                2p
                   -1 :               0.01509903841678
                   +0 :               0.01298280794158
                   +1 :               0.00039133073384
                3p
                   -1 :              -0.01161649569803
                   +0 :              -0.00876982584979
                   +1 :              -0.00116446077898
                3d
                   -2 :              -0.00007298966034
                   -1 :              -0.00135401442040
                   +0 :              -0.00050228736602
                   +1 :              -0.00000238539946
                   +2 :               0.00068146066819
              3 vec=    -7.570617      1.376012      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00019358134295
                2s
                   +0 :              -0.00121188920369
                3s
                   +0 :               0.00064678719304
                2p
                   -1 :              -0.00188204975665
                   +0 :              -0.00009157672975
                   +1 :              -0.00143539027933
                3p
                   -1 :               0.00145685305005
                   +0 :              -0.00035087394933
                   +1 :               0.00105262589247
                3d
                   -2 :               0.00001114284672
                   -1 :              -0.00008793518630
                   +0 :              -0.00008177422471
                   +1 :               0.00009225049419
                   +2 :              -0.00018176272273
              4 vec=     7.989708      1.376012      4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00024263289074
                2s
                   +0 :              -0.00152839257567
                3s
                   +0 :               0.00079060393188
                2p
                   -1 :               0.00090862492601
                   +0 :              -0.00051019662371
                   +1 :               0.00080431394543
                3p
                   -1 :              -0.00100219603303
                   +0 :               0.00013591309311
                   +1 :              -0.00029442052763
                3d
                   -2 :              -0.00004816460599
                   -1 :              -0.00006760797486
                   +0 :               0.00004420349201
                   +1 :              -0.00017611910638
                   +2 :              -0.00010247963630
              5 vec=    -7.570617     -7.607746      4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00007101145148
                2s
                   +0 :               0.00018183240555
                3s
                   +0 :              -0.00048318577233
                2p
                   -1 :              -0.00094176950079
                   +0 :               0.00010582393393
                   +1 :               0.00031072644983
                3p
                   -1 :               0.00115863026431
                   +0 :              -0.00047259975602
                   +1 :               0.00029196668972
                3d
                   -2 :              -0.00008277512065
                   -1 :              -0.00001029327601
                   +0 :               0.00006344696555
                   +1 :               0.00006583417420
                   +2 :               0.00002784542997
              6 vec=     7.989708     -7.607746      4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00002887555047
                2s
                   +0 :              -0.00036364042489
                3s
                   +0 :               0.00004454321777
                2p
                   -1 :               0.00051779385824
                   +0 :              -0.00040962122154
                   +1 :              -0.00055518567030
                3p
                   -1 :              -0.00045707602054
                   +0 :               0.00032230323404
                   +1 :               0.00028914578202
                3d
                   -2 :               0.00000658718625
                   -1 :              -0.00002929043508
                   +0 :               0.00003933234372
                   +1 :               0.00000266584842
                   +2 :               0.00000021180053
              7 vec=     0.209546    -12.099625      4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00000487051548
                2s
                   +0 :              -0.00039420868559
                3s
                   +0 :              -0.00004574083361
                2p
                   -1 :              -0.00055709946694
                   +0 :               0.00006926609101
                   +1 :               0.00018788880604
                3p
                   -1 :               0.00059900602797
                   +0 :              -0.00018220255796
                   +1 :              -0.00009367645687
                3d
                   -2 :              -0.00001241844519
                   -1 :               0.00001787162283
                   +0 :               0.00000380736215
                   +1 :               0.00000771226286
                   +2 :               0.00002136955545
              8 vec=    -7.570617     10.359770      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00005860093128
                2s
                   +0 :               0.00063118232800
                3s
                   +0 :              -0.00004048760623
                2p
                   -1 :               0.00020328432734
                   +0 :              -0.00008680359391
                   +1 :               0.00030683686586
                3p
                   -1 :              -0.00021848118525
                   +0 :               0.00035496960486
                   +1 :              -0.00040766431163
                3d
                   -2 :              -0.00002693242573
                   -1 :               0.00002454546932
                   +0 :               0.00003383396890
                   +1 :              -0.00004461452743
                   +2 :               0.00005772984684
              9 vec=     7.989708     10.359770      4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00014179812233
                2s
                   +0 :              -0.00053663459129
                3s
                   +0 :               0.00046473706773
                2p
                   -1 :               0.00047100055395
                   +0 :              -0.00014202738838
                   +1 :               0.00029877747388
                3p
                   -1 :              -0.00042437055564
                   +0 :               0.00014748262811
                   +1 :              -0.00021854005728
                3d
                   -2 :              -0.00001916121930
                   -1 :              -0.00001606915320
                   +0 :               0.00001815998423
                   +1 :              -0.00002437920496
                   +2 :              -0.00000297794233
             10 vec=     0.209546     14.851649      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00001892562055
                2s
                   +0 :              -0.00008112002685
                3s
                   +0 :               0.00015670603200
                2p
                   -1 :              -0.00011696861759
                   +0 :               0.00014452316592
                   +1 :               0.00016778673551
                3p
                   -1 :               0.00018988075224
                   +0 :              -0.00007027177888
                   +1 :              -0.00014019360963
                3d
                   -2 :              -0.00001650151896
                   -1 :              -0.00000427048227
                   +0 :               0.00001706449492
                   +1 :              -0.00000575659648
                   +2 :              -0.00001031868212
             11 vec=   -15.350780     -3.115867      4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00002439082585
                2s
                   +0 :               0.00011654075871
                3s
                   +0 :              -0.00009430855472
                2p
                   -1 :              -0.00020414122599
                   +0 :              -0.00015141256919
                   +1 :              -0.00024840806888
                3p
                   -1 :               0.00014383351193
                   +0 :               0.00009442996933
                   +1 :               0.00025875111441
                3d
                   -2 :              -0.00001296181026
                   -1 :               0.00000344614134
                   +0 :               0.00001132715334
                   +1 :              -0.00000299340471
                   +2 :              -0.00002197786749
             12 vec=    15.769871     -3.115867      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00000774573799
                2s
                   +0 :              -0.00006955512151
                3s
                   +0 :               0.00002446015460
                2p
                   -1 :              -0.00006552726566
                   +0 :              -0.00002994735884
                   +1 :               0.00003527658719
                3p
                   -1 :               0.00003319221638
                   +0 :               0.00001411704399
                   +1 :              -0.00006263050371
                3d
                   -2 :              -0.00000217368498
                   -1 :              -0.00000271237026
                   +0 :               0.00000505111519
                   +1 :               0.00000503788284
                   +2 :              -0.00000237403455
             13 vec=   -15.350780      5.867891      4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00000231358935
                2s
                   +0 :              -0.00001351985750
                3s
                   +0 :               0.00002908030880
                2p
                   -1 :              -0.00003376262887
                   +0 :               0.00003197116215
                   +1 :               0.00008698837654
                3p
                   -1 :               0.00003481967291
                   +0 :              -0.00001031896535
                   +1 :              -0.00010339873010
                3d
                   -2 :               0.00000057159360
                   -1 :              -0.00000352165339
                   +0 :               0.00000258217251
                   +1 :              -0.00000086201558
                   +2 :               0.00001253744266
             14 vec=    15.769871      5.867891      4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00001448881599
                2s
                   +0 :               0.00010711285874
                3s
                   +0 :              -0.00004305651449
                2p
                   -1 :               0.00007892646682
                   +0 :               0.00005031896171
                   +1 :               0.00005395751864
                3p
                   -1 :              -0.00005533260264
                   +0 :              -0.00000235613203
                   +1 :              -0.00004021333792
                3d
                   -2 :               0.00000160063443
                   -1 :              -0.00000129970051
                   +0 :               0.00000427985066
                   +1 :               0.00000012785126
                   +2 :               0.00000320994390
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 28)  npairs=  15
              1 vec=    -2.174555     -4.491729     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00019231398468
                2s
                   +0 :              -0.00187625993601
                3s
                   +0 :               0.00003874836259
                2p
                   -1 :               0.00035963054428
                   +0 :               0.00226211803707
                   +1 :               0.00128953328179
                3p
                   -1 :               0.00027389986941
                   +0 :               0.00006635232279
                   +1 :               0.00045827279593
                3d
                   -2 :              -0.00012239214168
                   -1 :              -0.00007436275053
                   +0 :              -0.00002105506598
                   +1 :              -0.00013858204651
                   +2 :              -0.00000424947462
              2 vec=    -2.174555      4.492029     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00011078744352
                2s
                   +0 :              -0.00006557987361
                3s
                   +0 :               0.00051172776107
                2p
                   -1 :               0.00097079198831
                   +0 :              -0.00081044928301
                   +1 :               0.00217543091437
                3p
                   -1 :              -0.00018957533842
                   +0 :              -0.00007349936858
                   +1 :              -0.00099148857283
                3d
                   -2 :              -0.00007483228691
                   -1 :              -0.00006131422978
                   +0 :              -0.00010299301185
                   +1 :              -0.00004151203847
                   +2 :               0.00013358932612
              3 vec=     5.605607      0.000150     -8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00022763365367
                2s
                   +0 :               0.00232811224321
                3s
                   +0 :              -0.00043412524461
                2p
                   -1 :               0.00026490750695
                   +0 :              -0.00203910516566
                   +1 :               0.00183499174076
                3p
                   -1 :              -0.00076256170057
                   +0 :               0.00062535763827
                   +1 :              -0.00085412690171
                3d
                   -2 :              -0.00000847489032
                   -1 :               0.00007008669155
                   +0 :               0.00014669630024
                   +1 :               0.00000547917460
                   +2 :               0.00000269413505
              4 vec=    -9.954718      0.000150     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00000545202756
                2s
                   +0 :              -0.00004521013521
                3s
                   +0 :               0.00003988788667
                2p
                   -1 :               0.00062778589272
                   +0 :               0.00015539627257
                   +1 :              -0.00034603780032
                3p
                   -1 :              -0.00047227262853
                   +0 :               0.00004425139522
                   +1 :               0.00023292529246
                3d
                   -2 :               0.00001650715903
                   -1 :               0.00003507969290
                   +0 :              -0.00003540279394
                   +1 :              -0.00000860097355
                   +2 :               0.00003337066495
              5 vec=     5.605607     -8.983608     -8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00001386884521
                2s
                   +0 :              -0.00024646244016
                3s
                   +0 :              -0.00005780298069
                2p
                   -1 :               0.00007557555848
                   +0 :              -0.00033659300272
                   +1 :               0.00012434791534
                3p
                   -1 :               0.00009861073874
                   +0 :               0.00028814038122
                   +1 :              -0.00032696290294
                3d
                   -2 :               0.00002512920579
                   -1 :               0.00001471471430
                   +0 :              -0.00000691807132
                   +1 :               0.00000994715090
                   +2 :              -0.00002747689153
              6 vec=     5.605607      8.983908     -8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00004859165197
                2s
                   +0 :               0.00069048496219
                3s
                   +0 :              -0.00018273424262
                2p
                   -1 :               0.00019746332270
                   +0 :              -0.00044733612402
                   +1 :               0.00002008337082
                3p
                   -1 :              -0.00001275095996
                   +0 :               0.00014489494713
                   +1 :               0.00001839556182
                3d
                   -2 :              -0.00003482647978
                   -1 :               0.00002161777886
                   +0 :              -0.00000170945424
                   +1 :               0.00001154386726
                   +2 :              -0.00003157928788
              7 vec=    -9.954718     -8.983608     -8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00001496555260
                2s
                   +0 :              -0.00012027936064
                3s
                   +0 :               0.00002865140109
                2p
                   -1 :              -0.00011050480028
                   +0 :               0.00012244709300
                   +1 :               0.00015241114016
                3p
                   -1 :               0.00009293161186
                   +0 :              -0.00000693733149
                   +1 :              -0.00004969739055
                3d
                   -2 :               0.00000112903757
                   -1 :              -0.00001720467224
                   +0 :               0.00000827822280
                   +1 :               0.00000857907959
                   +2 :               0.00000759887589
              8 vec=    -9.954718      8.983908     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00001234536947
                2s
                   +0 :              -0.00004243388856
                3s
                   +0 :               0.00007141263652
                2p
                   -1 :               0.00008217491112
                   +0 :              -0.00015006358149
                   +1 :              -0.00001828839393
                3p
                   -1 :              -0.00009400702073
                   +0 :               0.00005337373074
                   +1 :              -0.00002696561811
                3d
                   -2 :               0.00000147323331
                   -1 :               0.00001453585202
                   +0 :              -0.00000353736197
                   +1 :               0.00000868169122
                   +2 :               0.00000438683980
              9 vec=    -2.174555    -13.475487     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00000501259069
                2s
                   +0 :              -0.00000560153480
                3s
                   +0 :              -0.00004500354687
                2p
                   -1 :               0.00012073906127
                   +0 :               0.00001337076194
                   +1 :              -0.00017745761666
                3p
                   -1 :              -0.00006744475508
                   +0 :               0.00004590202608
                   +1 :               0.00012570726447
                3d
                   -2 :              -0.00000012879533
                   -1 :              -0.00000408557729
                   +0 :              -0.00000815707509
                   +1 :              -0.00001629648277
                   +2 :              -0.00001822366128
             10 vec=    -2.174555     13.475787     -8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00006825309749
                2s
                   +0 :              -0.00042100560446
                3s
                   +0 :               0.00024375311702
                2p
                   -1 :              -0.00021191508781
                   +0 :               0.00001955149590
                   +1 :               0.00006905233071
                3p
                   -1 :               0.00020498530213
                   +0 :              -0.00002598516975
                   +1 :              -0.00007868404970
                3d
                   -2 :              -0.00001680128646
                   -1 :               0.00000107456798
                   +0 :               0.00000144429924
                   +1 :              -0.00001000536846
                   +2 :              -0.00000146368770
             11 vec=    13.385770     -4.491729     -8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00004383580162
                2s
                   +0 :               0.00022829427904
                3s
                   +0 :              -0.00013719946253
                2p
                   -1 :               0.00012764899260
                   +0 :              -0.00006633167772
                   +1 :               0.00007673589623
                3p
                   -1 :              -0.00012341622862
                   +0 :               0.00006179575957
                   +1 :              -0.00009227380066
                3d
                   -2 :              -0.00000016701645
                   -1 :               0.00000261967557
                   +0 :              -0.00000100715094
                   +1 :               0.00000874223887
                   +2 :              -0.00000351818770
             12 vec=    13.385770      4.492029     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00001099770517
                2s
                   +0 :              -0.00004683137536
                3s
                   +0 :               0.00004230550228
                2p
                   -1 :              -0.00001162759687
                   +0 :              -0.00005827089166
                   +1 :              -0.00006482712415
                3p
                   -1 :               0.00000569018164
                   +0 :               0.00004460391250
                   +1 :               0.00009495682877
                3d
                   -2 :               0.00000144766531
                   -1 :               0.00000206404494
                   +0 :              -0.00001480136379
                   +1 :              -0.00000133816376
                   +2 :               0.00000678955908
             13 vec=    -2.174555     -4.491729     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00001224522445
                2s
                   +0 :               0.00008965836303
                3s
                   +0 :              -0.00004369495743
                2p
                   -1 :              -0.00006906694477
                   +0 :               0.00013064079596
                   +1 :              -0.00006125279018
                3p
                   -1 :               0.00004202576335
                   +0 :              -0.00008255510573
                   +1 :               0.00003386585311
                3d
                   -2 :               0.00000133703266
                   -1 :               0.00000027080092
                   +0 :              -0.00000070389086
                   +1 :               0.00000270627606
                   +2 :               0.00000381689474
             14 vec=    -2.174555      4.492029     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00001000144769
                2s
                   +0 :               0.00010526794366
                3s
                   +0 :              -0.00001524237377
                2p
                   -1 :               0.00003874180480
                   +0 :               0.00004901447272
                   +1 :               0.00002774208353
                3p
                   -1 :              -0.00003385713360
                   +0 :               0.00002130982983
                   +1 :              -0.00003416118543
                3d
                   -2 :               0.00000338363576
                   -1 :              -0.00000097702706
                   +0 :               0.00000184030414
                   +1 :              -0.00000118341015
                   +2 :              -0.00000046776560
             15 vec=     5.605607      0.000150     16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00000007718754
                2s
                   +0 :              -0.00003908176354
                3s
                   +0 :              -0.00001157115785
                2p
                   -1 :              -0.00017580961855
                   +0 :              -0.00000189291694
                   +1 :               0.00001895682573
                3p
                   -1 :               0.00009733417683
                   +0 :              -0.00006508163239
                   +1 :              -0.00001523391764
                3d
                   -2 :              -0.00000284835976
                   -1 :               0.00000154526400
                   +0 :              -0.00000907435897
                   +1 :              -0.00000179860596
                   +2 :               0.00000287688397
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 29)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00028986770687
                2s
                   +0 :               0.00249216441137
                3s
                   +0 :              -0.00054704989617
                2p
                   -1 :              -0.00367250387357
                   +0 :              -0.00219430589989
                   +1 :              -0.00157093281403
                3p
                   -1 :               0.00219388107792
                   +0 :               0.00083064689199
                   +1 :               0.00046966898421
                3d
                   -2 :               0.00002595501674
                   -1 :              -0.00009434893045
                   +0 :               0.00006961864805
                   +1 :              -0.00001709784869
                   +2 :              -0.00004004290929
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00013778958812
                2s
                   +0 :              -0.00182865091177
                3s
                   +0 :              -0.00017895293070
                2p
                   -1 :               0.00111031834819
                   +0 :               0.00351566869712
                   +1 :              -0.00172740990873
                3p
                   -1 :              -0.00003829460079
                   +0 :              -0.00037244667800
                   +1 :              -0.00019744684788
                3d
                   -2 :               0.00006281249179
                   -1 :              -0.00013422377308
                   +0 :              -0.00005445131547
                   +1 :               0.00017020570281
                   +2 :              -0.00001661256667
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00004961130635
                2s
                   +0 :              -0.00022942858814
                3s
                   +0 :               0.00037953046016
                2p
                   -1 :              -0.00212728715793
                   +0 :              -0.00068524996996
                   +1 :              -0.00225967507411
                3p
                   -1 :               0.00192921005035
                   +0 :               0.00049293824255
                   +1 :               0.00144649709150
                3d
                   -2 :               0.00013461796875
                   -1 :              -0.00016716919823
                   +0 :              -0.00009520412702
                   +1 :              -0.00001012092292
                   +2 :              -0.00002258516389
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00003045270278
                2s
                   +0 :              -0.00059933764297
                3s
                   +0 :               0.00001546571978
                2p
                   -1 :               0.00026912411290
                   +0 :              -0.00001223847240
                   +1 :               0.00047492571311
                3p
                   -1 :              -0.00007991331636
                   +0 :               0.00013653586243
                   +1 :              -0.00015937340890
                3d
                   -2 :              -0.00001195332168
                   -1 :              -0.00001496524265
                   +0 :              -0.00004435510388
                   +1 :              -0.00001771613273
                   +2 :              -0.00000536083446
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000881156364
                2s
                   +0 :               0.00015221693917
                3s
                   +0 :              -0.00003343193927
                2p
                   -1 :               0.00002948955223
                   +0 :               0.00019970087156
                   +1 :              -0.00036825971608
                3p
                   -1 :              -0.00004862324088
                   +0 :              -0.00021172357039
                   +1 :               0.00032518706326
                3d
                   -2 :               0.00002193882946
                   -1 :              -0.00000597104312
                   +0 :               0.00002447182379
                   +1 :              -0.00000499923578
                   +2 :               0.00002058027632
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000784835587
                2s
                   +0 :               0.00000851834231
                3s
                   +0 :               0.00004228832948
                2p
                   -1 :               0.00030714510580
                   +0 :              -0.00000414908327
                   +1 :               0.00020836319476
                3p
                   -1 :              -0.00026939148827
                   +0 :               0.00012133701607
                   +1 :              -0.00007521471616
                3d
                   -2 :              -0.00001790510323
                   -1 :               0.00001588652702
                   +0 :               0.00001581204574
                   +1 :               0.00000851897163
                   +2 :               0.00002210957751
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00003191789115
                2s
                   +0 :               0.00017883256294
                3s
                   +0 :              -0.00010659407104
                2p
                   -1 :              -0.00000971888889
                   +0 :               0.00004487935329
                   +1 :               0.00003929865775
                3p
                   -1 :               0.00001924013448
                   +0 :              -0.00004594998947
                   +1 :              -0.00002723313011
                3d
                   -2 :               0.00000133240897
                   -1 :              -0.00000177497803
                   +0 :               0.00000899933766
                   +1 :              -0.00000344342805
                   +2 :              -0.00000445634383
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001983478931
                2s
                   +0 :               0.00013353094500
                3s
                   +0 :              -0.00004703353836
                2p
                   -1 :              -0.00014171528704
                   +0 :              -0.00005467263137
                   +1 :              -0.00023607100810
                3p
                   -1 :               0.00012388515300
                   +0 :               0.00005698422100
                   +1 :               0.00018306237644
                3d
                   -2 :              -0.00000900511889
                   -1 :               0.00000040564788
                   +0 :              -0.00000014355596
                   +1 :               0.00000351229383
                   +2 :              -0.00000459992079
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002757321213
                2s
                   +0 :              -0.00017674249300
                3s
                   +0 :               0.00002042247977
                2p
                   -1 :               0.00031939446390
                   +0 :               0.00003819703021
                   +1 :               0.00017907732300
                3p
                   -1 :              -0.00020637895882
                   +0 :               0.00001778247625
                   +1 :              -0.00013863766582
                3d
                   -2 :              -0.00000203509263
                   -1 :              -0.00000031188939
                   +0 :              -0.00001005614350
                   +1 :               0.00000466838666
                   +2 :              -0.00000776107140
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00003580425133
                2s
                   +0 :              -0.00021386429682
                3s
                   +0 :               0.00010831030852
                2p
                   -1 :              -0.00000999072861
                   +0 :               0.00008417619943
                   +1 :              -0.00013886288861
                3p
                   -1 :              -0.00000324740411
                   +0 :              -0.00006254566065
                   +1 :               0.00008262593863
                3d
                   -2 :              -0.00001025197883
                   -1 :               0.00000318557255
                   +0 :               0.00000552132001
                   +1 :               0.00000162775013
                   +2 :              -0.00000685055924
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000240798782
                2s
                   +0 :               0.00003450365122
                3s
                   +0 :               0.00002645513952
                2p
                   -1 :              -0.00008502105679
                   +0 :              -0.00014365411581
                   +1 :              -0.00018878791369
                3p
                   -1 :               0.00014222067929
                   +0 :               0.00007527261807
                   +1 :               0.00016838921510
                3d
                   -2 :               0.00001650358394
                   -1 :               0.00000210771506
                   +0 :              -0.00000722480568
                   +1 :               0.00000853466841
                   +2 :               0.00000618960658
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000418708266
                2s
                   +0 :               0.00003502050519
                3s
                   +0 :               0.00002285842409
                2p
                   -1 :              -0.00000277347812
                   +0 :              -0.00000229822243
                   +1 :               0.00009161469599
                3p
                   -1 :               0.00002248715234
                   +0 :              -0.00006579529136
                   +1 :              -0.00005476932679
                3d
                   -2 :              -0.00000291310679
                   -1 :              -0.00001186243783
                   +0 :               0.00000467256991
                   +1 :              -0.00000233236829
                   +2 :              -0.00001348260954
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001160761814
                2s
                   +0 :              -0.00011080313380
                3s
                   +0 :               0.00003814199307
                2p
                   -1 :              -0.00011500567907
                   +0 :              -0.00008094861675
                   +1 :              -0.00009353919494
                3p
                   -1 :               0.00002511795991
                   +0 :               0.00002770772213
                   +1 :               0.00007202245235
                3d
                   -2 :               0.00000175464448
                   -1 :              -0.00000564829734
                   +0 :              -0.00000472439795
                   +1 :               0.00000520535465
                   +2 :               0.00000562543226
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000064681073
                2s
                   +0 :              -0.00000082469560
                3s
                   +0 :              -0.00000050027155
                2p
                   -1 :              -0.00003060982626
                   +0 :               0.00000771182362
                   +1 :               0.00000253322968
                3p
                   -1 :               0.00000423861369
                   +0 :               0.00001036272225
                   +1 :               0.00000933430995
                3d
                   -2 :               0.00000027545591
                   -1 :               0.00000072019215
                   +0 :               0.00000320563031
                   +1 :               0.00000171596158
                   +2 :               0.00000076268427
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000194080137
                2s
                   +0 :               0.00002482150129
                3s
                   +0 :               0.00001544368614
                2p
                   -1 :              -0.00000887042641
                   +0 :               0.00001510046532
                   +1 :               0.00004861744854
                3p
                   -1 :              -0.00000873293794
                   +0 :               0.00004293218766
                   +1 :              -0.00002884835415
                3d
                   -2 :               0.00000484717205
                   -1 :              -0.00000073585757
                   +0 :               0.00000269772515
                   +1 :               0.00000106812344
                   +2 :               0.00000099925421
WF             site_B          number of pairs
WF( 18)=[O_5_2py]  to site O ( 30)  npairs=  14
              1 vec=     0.209546      0.362644     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00018793804835
                2s
                   +0 :              -0.00116810747297
                3s
                   +0 :               0.00057368690861
                2p
                   -1 :              -0.00003454403627
                   +0 :              -0.00056813498309
                   +1 :              -0.00061541859689
                3p
                   -1 :              -0.00126794461037
                   +0 :               0.00069156260592
                   +1 :               0.00059448883357
                3d
                   -2 :              -0.00002240744336
                   -1 :               0.00010412359665
                   +0 :              -0.00025757859294
                   +1 :              -0.00008811954097
                   +2 :              -0.00003908326505
              2 vec=    -7.570617     -4.129235     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00005106477072
                2s
                   +0 :               0.00044068900120
                3s
                   +0 :              -0.00017854693304
                2p
                   -1 :              -0.00017326679644
                   +0 :              -0.00045858591059
                   +1 :               0.00053461345710
                3p
                   -1 :              -0.00013149887301
                   +0 :               0.00032405262327
                   +1 :              -0.00050962257315
                3d
                   -2 :               0.00005730837545
                   -1 :               0.00000054125198
                   +0 :              -0.00001863283779
                   +1 :               0.00003876528418
                   +2 :              -0.00000800539972
              3 vec=     0.209546     -8.621114     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00003832968570
                2s
                   +0 :              -0.00039166360509
                3s
                   +0 :              -0.00028077082257
                2p
                   -1 :              -0.00023961101107
                   +0 :               0.00048600612444
                   +1 :              -0.00061082649344
                3p
                   -1 :               0.00040491942851
                   +0 :               0.00024776688445
                   +1 :               0.00036511456934
                3d
                   -2 :              -0.00000957938055
                   -1 :              -0.00002576091023
                   +0 :              -0.00000157258090
                   +1 :               0.00002686857607
                   +2 :              -0.00001472232178
              4 vec=    -7.570617      4.854523     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00006994758418
                2s
                   +0 :               0.00078389290998
                3s
                   +0 :              -0.00027213728165
                2p
                   -1 :               0.00061067219534
                   +0 :              -0.00034240924426
                   +1 :              -0.00001170327550
                3p
                   -1 :              -0.00059988336009
                   +0 :               0.00005707406915
                   +1 :              -0.00034045238930
                3d
                   -2 :               0.00008672222253
                   -1 :               0.00003147195845
                   +0 :               0.00002644573357
                   +1 :              -0.00000991920760
                   +2 :               0.00004843988672
              5 vec=     7.989708     -4.129235     -8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00009232774148
                2s
                   +0 :               0.00041488311277
                3s
                   +0 :              -0.00025294484711
                2p
                   -1 :              -0.00125122345733
                   +0 :              -0.00013534634502
                   +1 :              -0.00054617058194
                3p
                   -1 :               0.00085978502251
                   +0 :               0.00013174283852
                   +1 :               0.00033919801062
                3d
                   -2 :              -0.00001298215759
                   -1 :              -0.00006864014692
                   +0 :              -0.00002262350795
                   +1 :              -0.00002070081227
                   +2 :               0.00002632557886
              6 vec=     0.209546      9.346402     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00003011573599
                2s
                   +0 :               0.00002985205688
                3s
                   +0 :               0.00009655252925
                2p
                   -1 :               0.00115641583693
                   +0 :              -0.00084477337268
                   +1 :              -0.00024247721512
                3p
                   -1 :              -0.00082950727092
                   +0 :               0.00065014563080
                   +1 :               0.00025040442527
                3d
                   -2 :               0.00002692366427
                   -1 :               0.00005230979044
                   +0 :              -0.00001180432008
                   +1 :              -0.00002116346004
                   +2 :               0.00002245332362
              7 vec=     7.989708      4.854523     -8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00005999362803
                2s
                   +0 :               0.00059085838591
                3s
                   +0 :              -0.00011013744468
                2p
                   -1 :               0.00003294463526
                   +0 :              -0.00001433292622
                   +1 :               0.00082186416533
                3p
                   -1 :              -0.00006895369376
                   +0 :              -0.00031656498664
                   +1 :              -0.00042864513150
                3d
                   -2 :              -0.00001051751431
                   -1 :               0.00002320990154
                   +0 :               0.00002010424974
                   +1 :              -0.00005171825400
                   +2 :              -0.00002253694626
              8 vec=     0.209546      0.362644     16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000457906994
                2s
                   +0 :              -0.00001045115159
                3s
                   +0 :               0.00002505727002
                2p
                   -1 :               0.00002312845421
                   +0 :               0.00000581096630
                   +1 :               0.00004295322404
                3p
                   -1 :              -0.00004588004151
                   +0 :               0.00002556094643
                   +1 :              -0.00001893935115
                3d
                   -2 :               0.00000199931308
                   -1 :              -0.00000805818795
                   +0 :              -0.00000070129455
                   +1 :              -0.00000380543452
                   +2 :               0.00000103323338
              9 vec=    -7.570617    -13.112993     -8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00001901433649
                2s
                   +0 :              -0.00018085929090
                3s
                   +0 :               0.00002955832935
                2p
                   -1 :               0.00004536698824
                   +0 :               0.00010126352532
                   +1 :               0.00012970384119
                3p
                   -1 :               0.00003075760891
                   +0 :              -0.00004991792869
                   +1 :              -0.00002177977555
                3d
                   -2 :              -0.00000956707780
                   -1 :              -0.00000129853864
                   +0 :               0.00000344512474
                   +1 :              -0.00000231384052
                   +2 :               0.00000374725705
             10 vec=   -15.350780      0.362644     -8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00000422605570
                2s
                   +0 :               0.00004273157071
                3s
                   +0 :              -0.00000895749646
                2p
                   -1 :               0.00005408271299
                   +0 :              -0.00003552645005
                   +1 :              -0.00006220826056
                3p
                   -1 :              -0.00006824502839
                   +0 :               0.00001298275053
                   +1 :               0.00004147301442
                3d
                   -2 :               0.00000239515884
                   -1 :               0.00000055331527
                   +0 :               0.00000075265573
                   +1 :               0.00000002843364
                   +2 :               0.00000283581033
             11 vec=     7.989708    -13.112993     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00002952378371
                2s
                   +0 :              -0.00022190091840
                3s
                   +0 :               0.00008117816714
                2p
                   -1 :               0.00024459335107
                   +0 :               0.00006277046090
                   +1 :              -0.00007669001061
                3p
                   -1 :              -0.00016195065568
                   +0 :              -0.00001444639258
                   +1 :               0.00000238094281
                3d
                   -2 :               0.00000365028886
                   -1 :               0.00000169241009
                   +0 :               0.00000248503122
                   +1 :               0.00000812857208
                   +2 :              -0.00000631144406
             12 vec=    -7.570617     13.838281     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000021639076
                2s
                   +0 :               0.00002087507223
                3s
                   +0 :               0.00002900530769
                2p
                   -1 :               0.00004738517227
                   +0 :              -0.00004377583553
                   +1 :               0.00001342059375
                3p
                   -1 :               0.00000338053712
                   +0 :              -0.00001002662154
                   +1 :              -0.00000610855732
                3d
                   -2 :              -0.00000147321916
                   -1 :              -0.00000471533371
                   +0 :              -0.00000030440313
                   +1 :               0.00000035012974
                   +2 :              -0.00000457289885
             13 vec=    15.769871      0.362644     -8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00000048112552
                2s
                   +0 :               0.00002871594014
                3s
                   +0 :               0.00000377774800
                2p
                   -1 :               0.00002652348239
                   +0 :              -0.00008237394435
                   +1 :               0.00000158352886
                3p
                   -1 :              -0.00003977706284
                   +0 :               0.00005343148956
                   +1 :               0.00002956914087
                3d
                   -2 :               0.00000159249831
                   -1 :               0.00000297043794
                   +0 :               0.00000095595078
                   +1 :              -0.00000011907392
                   +2 :               0.00000064988685
             14 vec=     7.989708     13.838281     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00001255223303
                2s
                   +0 :               0.00010558777076
                3s
                   +0 :              -0.00003248458763
                2p
                   -1 :               0.00006769793367
                   +0 :              -0.00001139254174
                   +1 :               0.00001103562919
                3p
                   -1 :              -0.00001542788554
                   +0 :              -0.00000539976521
                   +1 :               0.00000017759967
                3d
                   -2 :              -0.00000162727351
                   -1 :               0.00000233630109
                   +0 :               0.00000356863912
                   +1 :               0.00000362273732
                   +2 :              -0.00000312640132
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al(  1)  npairs=  13
              1 vec=    -2.383842     -1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00048825481444
                2p
                   -1 :               0.00025604193711
                   +0 :              -0.00022314061819
                   +1 :               0.00023355214639
                3s
                   +0 :               0.00009546287452
                4s
                   +0 :               0.00001292427058
                3p
                   -1 :              -0.00115630756288
                   +0 :               0.00181610720273
                   +1 :              -0.00085747125856
                4p
                   -1 :               0.00020354130995
                   +0 :              -0.00059805097971
                   +1 :               0.00002688983517
                3d
                   -2 :              -0.00011639799004
                   -1 :              -0.00041106057001
                   +0 :              -0.00014414020170
                   +1 :              -0.00048755023198
                   +2 :               0.00019437936142
              2 vec=     5.396321      3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00075781672612
                2p
                   -1 :              -0.00005857685573
                   +0 :              -0.00016936370331
                   +1 :               0.00011733649567
                3s
                   +0 :              -0.00267392142842
                4s
                   +0 :               0.00111373894335
                3p
                   -1 :               0.00033738617189
                   +0 :               0.00139129751533
                   +1 :              -0.00067606806119
                4p
                   -1 :              -0.00014811642777
                   +0 :              -0.00049370885142
                   +1 :               0.00022756013413
                3d
                   -2 :               0.00018778494985
                   -1 :              -0.00000920753385
                   +0 :              -0.00028213176247
                   +1 :               0.00009005866687
                   +2 :               0.00016458389069
              3 vec=    -2.383842      7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00002468097818
                2p
                   -1 :              -0.00014110710480
                   +0 :               0.00005347933615
                   +1 :               0.00018645940633
                3s
                   +0 :              -0.00163127479873
                4s
                   +0 :              -0.00007887656427
                3p
                   -1 :              -0.00097350533822
                   +0 :               0.00024465243022
                   +1 :              -0.00064222588773
                4p
                   -1 :              -0.00019646637981
                   +0 :               0.00006596931240
                   +1 :               0.00031945925969
                3d
                   -2 :               0.00003227562033
                   -1 :               0.00013776669849
                   +0 :               0.00022270533367
                   +1 :              -0.00010114287505
                   +2 :               0.00035678640222
              4 vec=     5.396321     -5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00035672756967
                2p
                   -1 :               0.00021717164752
                   +0 :               0.00013423840658
                   +1 :              -0.00031608620048
                3s
                   +0 :              -0.00167700427929
                4s
                   +0 :              -0.00016394350734
                3p
                   -1 :               0.00009177173485
                   +0 :               0.00030235523370
                   +1 :              -0.00134158963790
                4p
                   -1 :               0.00022668133637
                   +0 :              -0.00006177132906
                   +1 :              -0.00015114241553
                3d
                   -2 :               0.00047379941496
                   -1 :              -0.00003120287618
                   +0 :               0.00034744876993
                   +1 :               0.00018774288582
                   +2 :              -0.00049154868075
              5 vec=   -10.164004      3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00012723811819
                2p
                   -1 :               0.00007304923394
                   +0 :              -0.00002281504042
                   +1 :              -0.00011988626335
                3s
                   +0 :              -0.00054437039332
                4s
                   +0 :               0.00019443118765
                3p
                   -1 :              -0.00033651381870
                   +0 :               0.00008319989794
                   +1 :               0.00059653300588
                4p
                   -1 :               0.00008518357366
                   +0 :              -0.00000512438190
                   +1 :              -0.00020186363847
                3d
                   -2 :               0.00002868218840
                   -1 :               0.00009058563113
                   +0 :               0.00005148084833
                   +1 :              -0.00005106741414
                   +2 :               0.00005082035587
              6 vec=    -2.383842    -10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00001788076689
                2p
                   -1 :               0.00003258550246
                   +0 :              -0.00001811738736
                   +1 :               0.00018651146872
                3s
                   +0 :               0.00012261227663
                4s
                   +0 :              -0.00006943955918
                3p
                   -1 :              -0.00022645117772
                   +0 :               0.00005113565920
                   +1 :              -0.00087667302144
                4p
                   -1 :               0.00008772501455
                   +0 :              -0.00001359649990
                   +1 :               0.00015652290566
                3d
                   -2 :               0.00017821258096
                   -1 :              -0.00000113785232
                   +0 :               0.00000805948638
                   +1 :               0.00013086626155
                   +2 :              -0.00001847554280
              7 vec=    -2.383842     -1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00000962511273
                2p
                   -1 :              -0.00012201314662
                   +0 :               0.00001083532645
                   +1 :               0.00001092763614
                3s
                   +0 :               0.00017516574832
                4s
                   +0 :               0.00002912340189
                3p
                   -1 :               0.00059358887674
                   +0 :               0.00002583922071
                   +1 :               0.00000062935277
                4p
                   -1 :              -0.00014295815436
                   +0 :               0.00003024668369
                   +1 :               0.00003437052591
                3d
                   -2 :               0.00000628964517
                   -1 :               0.00010083858948
                   +0 :              -0.00001954203905
                   +1 :               0.00007280641250
                   +2 :              -0.00005665443436
              8 vec=   -10.164004     -5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00017666122198
                2p
                   -1 :               0.00007843670422
                   +0 :               0.00016657390706
                   +1 :               0.00010348379200
                3s
                   +0 :               0.00048921592543
                4s
                   +0 :              -0.00021393548731
                3p
                   -1 :              -0.00043941212027
                   +0 :              -0.00072537921397
                   +1 :              -0.00040386790441
                4p
                   -1 :               0.00017013842842
                   +0 :               0.00022013597156
                   +1 :               0.00009837159980
                3d
                   -2 :               0.00007504352077
                   -1 :               0.00011749664854
                   +0 :               0.00004385183116
                   +1 :               0.00022571936325
                   +2 :               0.00005360995759
              9 vec=     5.396321      3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00006779325884
                2p
                   -1 :              -0.00001690114659
                   +0 :              -0.00000423794205
                   +1 :              -0.00000547420483
                3s
                   +0 :               0.00024398738085
                4s
                   +0 :               0.00000715290553
                3p
                   -1 :              -0.00005619561418
                   +0 :              -0.00017558544179
                   +1 :              -0.00009785685649
                4p
                   -1 :               0.00002358399586
                   +0 :               0.00010192901683
                   +1 :               0.00003167556204
                3d
                   -2 :              -0.00000139615725
                   -1 :              -0.00001787174243
                   +0 :              -0.00006545427608
                   +1 :              -0.00002730560906
                   +2 :               0.00004146714912
             10 vec=     5.396321     12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00008998614897
                2p
                   -1 :               0.00005717667809
                   +0 :              -0.00000096487245
                   +1 :               0.00003832061867
                3s
                   +0 :              -0.00037190296961
                4s
                   +0 :               0.00014169727143
                3p
                   -1 :              -0.00027828497562
                   +0 :              -0.00002502240157
                   +1 :              -0.00023942820722
                4p
                   -1 :               0.00008871154442
                   +0 :               0.00000853363071
                   +1 :               0.00008114635939
                3d
                   -2 :               0.00001824682192
                   -1 :              -0.00003250077363
                   +0 :               0.00002503287781
                   +1 :               0.00001848153280
                   +2 :               0.00000980968436
             11 vec=    13.176483     -1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00006643446067
                2p
                   -1 :               0.00000596326229
                   +0 :              -0.00000239549518
                   +1 :               0.00004200476509
                3s
                   +0 :              -0.00023718007833
                4s
                   +0 :               0.00006832651160
                3p
                   -1 :              -0.00003994412500
                   +0 :               0.00000446907501
                   +1 :              -0.00014547749779
                4p
                   -1 :               0.00002326499042
                   +0 :               0.00001397387711
                   +1 :               0.00005101663407
                3d
                   -2 :               0.00002669136634
                   -1 :              -0.00002834088911
                   +0 :              -0.00000535883151
                   +1 :               0.00002989475849
                   +2 :              -0.00000395830021
             12 vec=    -2.383842      7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00003563823247
                2p
                   -1 :              -0.00001345850707
                   +0 :              -0.00000323712761
                   +1 :              -0.00000783497410
                3s
                   +0 :               0.00036578374713
                4s
                   +0 :              -0.00005948723407
                3p
                   -1 :               0.00028325745806
                   +0 :               0.00015562438592
                   +1 :              -0.00009307963116
                4p
                   -1 :              -0.00002524626394
                   +0 :              -0.00001462371746
                   +1 :               0.00001474056443
                3d
                   -2 :               0.00001144705296
                   -1 :              -0.00001244604069
                   +0 :               0.00001601573862
                   +1 :              -0.00002638496863
                   +2 :               0.00012978750262
             13 vec=     5.396321     -5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00006470393544
                2p
                   -1 :              -0.00001142882267
                   +0 :              -0.00001211944276
                   +1 :              -0.00002923318310
                3s
                   +0 :               0.00045375816006
                4s
                   +0 :              -0.00013062282916
                3p
                   -1 :              -0.00015196694391
                   +0 :               0.00017949054104
                   +1 :               0.00022202722296
                4p
                   -1 :              -0.00000037474432
                   +0 :              -0.00003106497606
                   +1 :              -0.00004980181881
                3d
                   -2 :               0.00001205321358
                   -1 :              -0.00003206985025
                   +0 :               0.00000265086449
                   +1 :               0.00000605513146
                   +2 :              -0.00010069335007
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al(  2)  npairs=  14
              1 vec=    -2.383842     -1.376312     -2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.02029953199410
                2p
                   -1 :               0.01522232650425
                   +0 :               0.01876310526221
                   +1 :               0.02105496844691
                3s
                   +0 :              -0.08105308538507
                4s
                   +0 :              -0.00612650632495
                3p
                   -1 :               0.02090096216786
                   +0 :               0.02989161527114
                   +1 :               0.05020149238291
                4p
                   -1 :               0.00938743949342
                   +0 :               0.00964437307620
                   +1 :               0.01000502773547
                3d
                   -2 :              -0.03416303534565
                   -1 :              -0.01981626300313
                   +0 :               0.00921691368950
                   +1 :              -0.03297539207254
                   +2 :              -0.01779203861713
              2 vec=     5.396321      3.115567     -2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00216129970094
                2p
                   -1 :               0.00138681114091
                   +0 :              -0.00053040416561
                   +1 :               0.00121352630675
                3s
                   +0 :              -0.00880922504462
                4s
                   +0 :               0.00535364825141
                3p
                   -1 :              -0.00597076064707
                   +0 :              -0.00000013595357
                   +1 :              -0.00432465519007
                4p
                   -1 :               0.00244846848912
                   +0 :              -0.00155724834356
                   +1 :               0.00221745749379
                3d
                   -2 :              -0.00067870217064
                   -1 :               0.00013058087173
                   +0 :              -0.00284795531277
                   +1 :               0.00037311740072
                   +2 :              -0.00063979297097
              3 vec=    -2.383842      7.607446     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00108926613202
                2p
                   -1 :              -0.00032324553445
                   +0 :               0.00015967745351
                   +1 :              -0.00020469618867
                3s
                   +0 :               0.00430559164110
                4s
                   +0 :              -0.00212387067852
                3p
                   -1 :               0.00263204693166
                   +0 :              -0.00116536978159
                   +1 :              -0.00026707089100
                4p
                   -1 :              -0.00061656220876
                   +0 :               0.00045889949782
                   +1 :               0.00014395746326
                3d
                   -2 :               0.00064178331545
                   -1 :              -0.00025117066591
                   +0 :               0.00014647242681
                   +1 :              -0.00051250361355
                   +2 :              -0.00049532503664
              4 vec=     5.396321     -5.868191     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00067382217295
                2p
                   -1 :               0.00028289834017
                   +0 :               0.00038795935118
                   +1 :              -0.00025858789063
                3s
                   +0 :               0.00623884219614
                4s
                   +0 :              -0.00283280783733
                3p
                   -1 :              -0.00325828698744
                   +0 :              -0.00456939565118
                   +1 :               0.00351762870232
                4p
                   -1 :               0.00155216233622
                   +0 :               0.00121616350974
                   +1 :              -0.00091727900694
                3d
                   -2 :              -0.00077420873086
                   -1 :               0.00103337780547
                   +0 :               0.00036194266554
                   +1 :              -0.00091469491343
                   +2 :               0.00000269400511
              5 vec=   -10.164004      3.115567     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00033622596078
                2p
                   -1 :              -0.00010997931166
                   +0 :              -0.00036000447951
                   +1 :               0.00030252110029
                3s
                   +0 :              -0.00067892555561
                4s
                   +0 :               0.00014960294022
                3p
                   -1 :              -0.00033804434933
                   +0 :               0.00158137274830
                   +1 :              -0.00031434379159
                4p
                   -1 :              -0.00009347072720
                   +0 :              -0.00043743834090
                   +1 :               0.00011008994193
                3d
                   -2 :               0.00027144670622
                   -1 :              -0.00015261100184
                   +0 :              -0.00001113659048
                   +1 :              -0.00028526706068
                   +2 :               0.00024846351179
              6 vec=    -2.383842    -10.360070     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00005774523267
                2p
                   -1 :              -0.00007612183689
                   +0 :               0.00006465292289
                   +1 :              -0.00004869078302
                3s
                   +0 :              -0.00069340008365
                4s
                   +0 :               0.00041743857648
                3p
                   -1 :               0.00132335507283
                   +0 :              -0.00008227022256
                   +1 :              -0.00012797470967
                4p
                   -1 :              -0.00045257879467
                   +0 :              -0.00004949119624
                   +1 :               0.00003472228006
                3d
                   -2 :               0.00020759921838
                   -1 :              -0.00001082680315
                   +0 :               0.00010647900670
                   +1 :              -0.00010826604612
                   +2 :               0.00019704346949
              7 vec=   -10.164004     -5.868191     -2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00017498873704
                2p
                   -1 :               0.00020320171022
                   +0 :              -0.00008699926583
                   +1 :              -0.00005871507043
                3s
                   +0 :              -0.00030136699092
                4s
                   +0 :              -0.00033982193066
                3p
                   -1 :              -0.00121151858596
                   +0 :               0.00045814598426
                   +1 :               0.00001708135588
                4p
                   -1 :               0.00043910325362
                   +0 :              -0.00013416774155
                   +1 :               0.00030216309239
                3d
                   -2 :               0.00018702108096
                   -1 :               0.00002808021328
                   +0 :              -0.00001148162138
                   +1 :              -0.00017380388340
                   +2 :              -0.00041162262988
              8 vec=     5.396321     12.099325     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00016509966379
                2p
                   -1 :              -0.00002821403398
                   +0 :              -0.00008074140865
                   +1 :              -0.00003188394085
                3s
                   +0 :               0.00038487282675
                4s
                   +0 :               0.00002131415297
                3p
                   -1 :              -0.00002815031697
                   +0 :               0.00030724962242
                   +1 :               0.00005153193640
                4p
                   -1 :               0.00010267209492
                   +0 :              -0.00005708524175
                   +1 :               0.00002222760861
                3d
                   -2 :              -0.00003095141673
                   -1 :               0.00004079210498
                   +0 :               0.00000445399771
                   +1 :               0.00006989013018
                   +2 :              -0.00001391718217
              9 vec=    13.176483     -1.376312     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00015600275199
                2p
                   -1 :               0.00000730548359
                   +0 :               0.00007412987249
                   +1 :               0.00001360276237
                3s
                   +0 :               0.00063220163857
                4s
                   +0 :              -0.00014981990645
                3p
                   -1 :              -0.00012389375629
                   +0 :              -0.00037733633258
                   +1 :              -0.00001907517161
                4p
                   -1 :               0.00005389320758
                   +0 :               0.00002264736108
                   +1 :               0.00000431398351
                3d
                   -2 :              -0.00013707962044
                   -1 :               0.00014451312103
                   +0 :               0.00004540211633
                   +1 :              -0.00012528467265
                   +2 :              -0.00023787075199
             10 vec=    13.176483      7.607446     -2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00001390157274
                2p
                   -1 :               0.00003665451532
                   +0 :               0.00002602867352
                   +1 :               0.00003326359723
                3s
                   +0 :              -0.00001582452838
                4s
                   +0 :               0.00001559071666
                3p
                   -1 :              -0.00015778184825
                   +0 :              -0.00014406052149
                   +1 :              -0.00014711435125
                4p
                   -1 :               0.00005461913229
                   +0 :               0.00002106455433
                   +1 :               0.00003568592927
                3d
                   -2 :              -0.00005330980664
                   -1 :              -0.00002536265942
                   +0 :               0.00000988466130
                   +1 :              -0.00004540739725
                   +2 :              -0.00003933611604
             11 vec=   -10.164004     12.099325     -2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00004522538312
                2p
                   -1 :              -0.00002736720104
                   +0 :               0.00004049435660
                   +1 :              -0.00006490557453
                3s
                   +0 :              -0.00033318365135
                4s
                   +0 :               0.00009620699861
                3p
                   -1 :               0.00014297423798
                   +0 :              -0.00026524855234
                   +1 :               0.00047460721917
                4p
                   -1 :              -0.00002827084575
                   +0 :               0.00003198904517
                   +1 :              -0.00011341654852
                3d
                   -2 :               0.00002932223702
                   -1 :              -0.00002029539085
                   +0 :              -0.00000919943822
                   +1 :               0.00006354827617
                   +2 :              -0.00006197708167
             12 vec=     5.396321    -14.851949     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00004046767535
                2p
                   -1 :               0.00003059716380
                   +0 :              -0.00001564651799
                   +1 :               0.00001519227931
                3s
                   +0 :              -0.00007293903099
                4s
                   +0 :              -0.00000702468528
                3p
                   -1 :               0.00002295190772
                   +0 :              -0.00006949860831
                   +1 :              -0.00005809319274
                4p
                   -1 :               0.00000121391357
                   +0 :               0.00000248207312
                   +1 :               0.00003320490697
                3d
                   -2 :              -0.00002758948302
                   -1 :               0.00003572443213
                   +0 :              -0.00002292785693
                   +1 :              -0.00001980003565
                   +2 :               0.00001950825561
             13 vec=    -2.383842     16.591204     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00001125809905
                2p
                   -1 :              -0.00000233431919
                   +0 :              -0.00001279560806
                   +1 :               0.00001099405273
                3s
                   +0 :              -0.00005506803738
                4s
                   +0 :               0.00000517432281
                3p
                   -1 :               0.00001736279133
                   +0 :               0.00001254021384
                   +1 :              -0.00003903334724
                4p
                   -1 :              -0.00000998159309
                   +0 :               0.00000896465070
                   +1 :              -0.00000145507050
                3d
                   -2 :              -0.00002367490758
                   -1 :               0.00000989695638
                   +0 :              -0.00001587855882
                   +1 :              -0.00000031807746
                   +2 :              -0.00000637283188
             14 vec=    13.176483    -10.360070     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00000115546639
                2p
                   -1 :              -0.00001177178942
                   +0 :               0.00000209807949
                   +1 :              -0.00001966066763
                3s
                   +0 :               0.00000407041949
                4s
                   +0 :              -0.00000710987651
                3p
                   -1 :               0.00007277827923
                   +0 :              -0.00003160755973
                   +1 :               0.00010039061939
                4p
                   -1 :              -0.00003135534362
                   +0 :               0.00000208427334
                   +1 :              -0.00002647273155
                3d
                   -2 :               0.00001855929984
                   -1 :              -0.00001545603589
                   +0 :               0.00001117928508
                   +1 :               0.00000639264692
                   +2 :               0.00002871745199
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Cr(  3)  npairs=  13
              1 vec=    -2.383842     -1.376312      9.763049   |vec|=   10.143671
                3s
                   +0 :              -0.00059363820601
                3p
                   -1 :               0.00021389047834
                   +0 :               0.00001931981382
                   +1 :               0.00043902198807
                4s
                   +0 :              -0.00007031784476
                5s
                   +0 :               0.00011979524730
                3d
                   -2 :              -0.00034341448379
                   -1 :               0.00012869174081
                   +0 :               0.00076086436039
                   +1 :               0.00017186073886
                   +2 :              -0.00065672802541
                4d
                   -2 :              -0.00001530750529
                   -1 :               0.00017850087088
                   +0 :              -0.00037237958721
                   +1 :               0.00057352302862
                   +2 :              -0.00006243466967
                4p
                   -1 :              -0.00021492215499
                   +0 :              -0.00053026407991
                   +1 :              -0.00058389304627
              2 vec=     5.396321      3.115567      9.763049   |vec|=   11.582062
                3s
                   +0 :               0.00063647077377
                3p
                   -1 :               0.00004618010751
                   +0 :              -0.00002206547147
                   +1 :              -0.00003412470795
                4s
                   +0 :              -0.00146147792415
                5s
                   +0 :               0.00017922089390
                3d
                   -2 :              -0.00014453470341
                   -1 :              -0.00026411785759
                   +0 :              -0.00054964918964
                   +1 :              -0.00019953953781
                   +2 :               0.00010015035893
                4d
                   -2 :               0.00019977258317
                   -1 :              -0.00002084579966
                   +0 :              -0.00022717706359
                   +1 :              -0.00000417761147
                   +2 :              -0.00001867431083
                4p
                   -1 :              -0.00013304493130
                   +0 :              -0.00031789724082
                   +1 :              -0.00005303524774
              3 vec=    -2.383842      7.607446      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00086098574270
                3p
                   -1 :              -0.00102154790885
                   +0 :              -0.00044765738392
                   +1 :              -0.00006961716109
                4s
                   +0 :              -0.00021721265257
                5s
                   +0 :              -0.00006017388885
                3d
                   -2 :              -0.00011702618467
                   -1 :              -0.00098571712288
                   +0 :               0.00101188036266
                   +1 :              -0.00006480983915
                   +2 :               0.00186021209833
                4d
                   -2 :              -0.00014332870898
                   -1 :               0.00002650225757
                   +0 :              -0.00005510912779
                   +1 :              -0.00001118263617
                   +2 :               0.00009401955119
                4p
                   -1 :              -0.00039458662189
                   +0 :               0.00018011950184
                   +1 :              -0.00016197291688
              4 vec=     5.396321     -5.868191      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00031981311862
                3p
                   -1 :               0.00040136566301
                   +0 :              -0.00015896812013
                   +1 :              -0.00037394880516
                4s
                   +0 :              -0.00042471832843
                5s
                   +0 :              -0.00010532479504
                3d
                   -2 :               0.00154748223695
                   -1 :               0.00059654870039
                   +0 :               0.00063390996340
                   +1 :              -0.00067557390308
                   +2 :               0.00042480485263
                4d
                   -2 :              -0.00014888456685
                   -1 :               0.00000147598665
                   +0 :               0.00002028883122
                   +1 :               0.00009952244385
                   +2 :              -0.00028222868284
                4p
                   -1 :               0.00008792079028
                   +0 :              -0.00008644134222
                   +1 :              -0.00031665100091
              5 vec=   -10.164004      3.115567      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00000261224142
                3p
                   -1 :               0.00024418219015
                   +0 :               0.00003362384644
                   +1 :               0.00015579390619
                4s
                   +0 :               0.00004406913350
                5s
                   +0 :              -0.00001608852754
                3d
                   -2 :              -0.00025570849552
                   -1 :               0.00020696902351
                   +0 :               0.00007451334545
                   +1 :               0.00016286080087
                   +2 :              -0.00019580760428
                4d
                   -2 :               0.00008191393289
                   -1 :              -0.00016113243071
                   +0 :               0.00001495314926
                   +1 :              -0.00008270279459
                   +2 :               0.00020755102916
                4p
                   -1 :              -0.00045183919662
                   +0 :              -0.00003122329141
                   +1 :              -0.00030653185302
              6 vec=    -2.383842    -10.360070      9.763049   |vec|=   14.433671
                3s
                   +0 :               0.00018928686932
                3p
                   -1 :              -0.00015436032661
                   +0 :               0.00005044273758
                   +1 :               0.00002593283927
                4s
                   +0 :              -0.00045191791739
                5s
                   +0 :               0.00006997439187
                3d
                   -2 :               0.00007733514274
                   -1 :              -0.00019305185074
                   +0 :              -0.00001753623757
                   +1 :               0.00006287130929
                   +2 :              -0.00023110730292
                4d
                   -2 :               0.00001455690372
                   -1 :               0.00015972042476
                   +0 :               0.00005239370364
                   +1 :              -0.00004767461156
                   +2 :               0.00002093248762
                4p
                   -1 :               0.00026447671465
                   +0 :              -0.00009034677212
                   +1 :              -0.00003735229514
              7 vec=    -2.383842     -1.376312    -14.784494   |vec|=   15.038557
                3s
                   +0 :               0.00013230433478
                3p
                   -1 :               0.00005805597085
                   +0 :              -0.00005143374021
                   +1 :              -0.00009090832146
                4s
                   +0 :              -0.00007733231788
                5s
                   +0 :              -0.00001127726257
                3d
                   -2 :               0.00005253709506
                   -1 :              -0.00005542795096
                   +0 :              -0.00013562343779
                   +1 :               0.00007285687147
                   +2 :               0.00005424325969
                4d
                   -2 :               0.00000117914146
                   -1 :              -0.00000777072738
                   +0 :               0.00006153314503
                   +1 :              -0.00013771333591
                   +2 :               0.00000269715391
                4p
                   -1 :              -0.00008053810123
                   +0 :               0.00004327450766
                   +1 :               0.00023221276609
              8 vec=   -10.164004     -5.868191      9.763049   |vec|=   15.266295
                3s
                   +0 :              -0.00036872559243
                3p
                   -1 :               0.00013469067288
                   +0 :              -0.00021345950131
                   +1 :               0.00018061862137
                4s
                   +0 :               0.00076463652205
                5s
                   +0 :              -0.00011383678384
                3d
                   -2 :              -0.00033351377295
                   -1 :               0.00036711512577
                   +0 :              -0.00009231963991
                   +1 :               0.00062998275460
                   +2 :              -0.00024454791673
                4d
                   -2 :               0.00014942595852
                   -1 :              -0.00024275438593
                   +0 :               0.00011136159063
                   +1 :              -0.00036887414083
                   +2 :               0.00009467887937
                4p
                   -1 :              -0.00019198363938
                   +0 :               0.00037660998441
                   +1 :              -0.00030090731604
              9 vec=     5.396321      3.115567    -14.784494   |vec|=   16.043949
                3s
                   +0 :              -0.00008761356025
                3p
                   -1 :               0.00000500441029
                   +0 :               0.00006700729614
                   +1 :              -0.00006996894006
                4s
                   +0 :               0.00020630597773
                5s
                   +0 :              -0.00001049121754
                3d
                   -2 :               0.00008937666952
                   -1 :              -0.00008170326290
                   +0 :              -0.00000791515686
                   +1 :              -0.00003551603164
                   +2 :               0.00016876918170
                4d
                   -2 :               0.00002735318412
                   -1 :               0.00001828635231
                   +0 :               0.00003015954182
                   +1 :              -0.00002360497525
                   +2 :              -0.00003083628739
                4p
                   -1 :              -0.00004290414675
                   +0 :              -0.00008284585072
                   +1 :               0.00003240315677
             10 vec=     5.396321     12.099325      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00009598624995
                3p
                   -1 :               0.00007756626480
                   +0 :               0.00002199787799
                   +1 :               0.00002544248526
                4s
                   +0 :              -0.00018161896523
                5s
                   +0 :               0.00001541276238
                3d
                   -2 :               0.00003526364272
                   -1 :              -0.00008150760813
                   +0 :              -0.00007934828519
                   +1 :               0.00005317901931
                   +2 :              -0.00002038069834
                4d
                   -2 :              -0.00001564938472
                   -1 :              -0.00006021273975
                   +0 :               0.00002121359152
                   +1 :              -0.00000982684411
                   +2 :               0.00005112405177
                4p
                   -1 :              -0.00009720382632
                   +0 :              -0.00004256935043
                   +1 :              -0.00003688808186
             11 vec=    13.176483     -1.376312      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00015033490158
                3p
                   -1 :              -0.00001324941747
                   +0 :               0.00001874838919
                   +1 :               0.00008313795521
                4s
                   +0 :              -0.00034606385769
                5s
                   +0 :               0.00005260055024
                3d
                   -2 :              -0.00001500160769
                   -1 :               0.00005923336133
                   +0 :              -0.00004091852736
                   +1 :               0.00002336288384
                   +2 :               0.00002361489179
                4d
                   -2 :               0.00002333877853
                   -1 :              -0.00002970137557
                   +0 :               0.00004330798753
                   +1 :              -0.00001790187320
                   +2 :              -0.00001937511235
                4p
                   -1 :              -0.00000990183243
                   +0 :              -0.00002549666675
                   +1 :              -0.00015584068002
             12 vec=    -2.383842      7.607446    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00008498480048
                3p
                   -1 :               0.00000364620686
                   +0 :               0.00003100489210
                   +1 :              -0.00007059920946
                4s
                   +0 :               0.00030208438906
                5s
                   +0 :              -0.00003142917391
                3d
                   -2 :              -0.00020095502223
                   -1 :              -0.00002715387639
                   +0 :              -0.00013804939459
                   +1 :               0.00032984297477
                   +2 :               0.00019454509611
                4d
                   -2 :              -0.00009016697145
                   -1 :              -0.00004749004298
                   +0 :              -0.00001428902352
                   +1 :               0.00001297109730
                   +2 :               0.00001248350989
                4p
                   -1 :               0.00002022809450
                   +0 :              -0.00004682507822
                   +1 :               0.00003860107290
             13 vec=     5.396321     -5.868191    -14.784494   |vec|=   16.796940
                3s
                   +0 :               0.00002563938879
                3p
                   -1 :              -0.00002423389115
                   +0 :              -0.00000438130985
                   +1 :              -0.00000726371058
                4s
                   +0 :               0.00010252687149
                5s
                   +0 :              -0.00000999924867
                3d
                   -2 :               0.00016197244337
                   -1 :               0.00020798490015
                   +0 :              -0.00022632043881
                   +1 :               0.00001353890793
                   +2 :              -0.00024452997628
                4d
                   -2 :               0.00004613110839
                   -1 :              -0.00000125430604
                   +0 :               0.00000101581433
                   +1 :               0.00000633384732
                   +2 :              -0.00000587200455
                4p
                   -1 :               0.00000896221240
                   +0 :               0.00003921083735
                   +1 :              -0.00000454460246
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al(  4)  npairs=  14
              1 vec=    -2.383842     -1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.02037486570876
                2p
                   -1 :              -0.01063114310850
                   +0 :               0.01880185859988
                   +1 :              -0.02376686016158
                3s
                   +0 :               0.08027703896607
                4s
                   +0 :               0.00616140335152
                3p
                   -1 :              -0.03281668373306
                   +0 :               0.02977846863550
                   +1 :              -0.04263491611372
                4p
                   -1 :              -0.00396057590070
                   +0 :               0.00966841649823
                   +1 :              -0.01319178039948
                3d
                   -2 :               0.03240634396497
                   -1 :              -0.01862466674442
                   +0 :              -0.00902623367669
                   +1 :              -0.03361943905931
                   +2 :               0.02066193801137
              2 vec=     5.396321      3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00220212192399
                2p
                   -1 :              -0.00036748858793
                   +0 :              -0.00053767959302
                   +1 :              -0.00181733131392
                3s
                   +0 :               0.00883355292824
                4s
                   +0 :              -0.00538269553578
                3p
                   -1 :               0.00078572424035
                   +0 :               0.00011236043324
                   +1 :               0.00730538249671
                4p
                   -1 :              -0.00071665489264
                   +0 :              -0.00158541615615
                   +1 :              -0.00322830044647
                3d
                   -2 :               0.00088361845348
                   -1 :               0.00025564833312
                   +0 :               0.00281246263778
                   +1 :               0.00031935071989
                   +2 :               0.00025969972137
              3 vec=    -2.383842      7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00065233161789
                2p
                   -1 :               0.00036819346638
                   +0 :               0.00040592737734
                   +1 :              -0.00010297328631
                3s
                   +0 :              -0.00618249053956
                4s
                   +0 :               0.00281420388645
                3p
                   -1 :              -0.00470875374888
                   +0 :              -0.00470489496536
                   +1 :               0.00098921071633
                4p
                   -1 :               0.00157802940203
                   +0 :               0.00124268699689
                   +1 :              -0.00087377902358
                3d
                   -2 :               0.00036729628580
                   -1 :              -0.00133033351292
                   +0 :              -0.00034480358910
                   +1 :               0.00044581882407
                   +2 :               0.00067744292895
              4 vec=     5.396321     -5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00108091740619
                2p
                   -1 :               0.00002259737506
                   +0 :               0.00017391886688
                   +1 :               0.00038553606695
                3s
                   +0 :              -0.00430116808381
                4s
                   +0 :               0.00211908468130
                3p
                   -1 :               0.00150300450204
                   +0 :              -0.00127392069482
                   +1 :              -0.00219872414988
                4p
                   -1 :              -0.00042343505087
                   +0 :               0.00048011113145
                   +1 :               0.00047371455924
                3d
                   -2 :               0.00010234286291
                   -1 :              -0.00028733168886
                   +0 :              -0.00012785878695
                   +1 :              -0.00048130298956
                   +2 :              -0.00081647562311
              5 vec=   -10.164004      3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00005212566886
                2p
                   -1 :               0.00000036589265
                   +0 :               0.00007002653816
                   +1 :               0.00008797138397
                3s
                   +0 :               0.00068215595726
                4s
                   +0 :              -0.00041582701354
                3p
                   -1 :               0.00077457537587
                   +0 :              -0.00010506911704
                   +1 :              -0.00106930465434
                4p
                   -1 :              -0.00026080825361
                   +0 :              -0.00004295395500
                   +1 :               0.00037185807920
                3d
                   -2 :              -0.00028040249336
                   -1 :              -0.00008832439949
                   +0 :              -0.00010360722635
                   +1 :              -0.00005948763914
                   +2 :              -0.00007749439989
              6 vec=    -2.383842    -10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00031922821948
                2p
                   -1 :              -0.00030409168800
                   +0 :              -0.00035755185537
                   +1 :              -0.00005342325187
                3s
                   +0 :               0.00072176980824
                4s
                   +0 :              -0.00016649251258
                3p
                   -1 :               0.00005096411750
                   +0 :               0.00158320824209
                   +1 :               0.00042689721098
                4p
                   -1 :              -0.00013480273331
                   +0 :              -0.00043607896413
                   +1 :               0.00002666228414
                3d
                   -2 :              -0.00033752786842
                   -1 :              -0.00016524259930
                   +0 :               0.00000700781936
                   +1 :              -0.00026604986728
                   +2 :              -0.00012196053486
              7 vec=   -10.164004     -5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00015701756602
                2p
                   -1 :               0.00015864635363
                   +0 :              -0.00008511190705
                   +1 :              -0.00014755943584
                3s
                   +0 :               0.00020701093918
                4s
                   +0 :               0.00036893441119
                3p
                   -1 :              -0.00064701389969
                   +0 :               0.00045621882848
                   +1 :               0.00105021067589
                4p
                   -1 :              -0.00003453093431
                   +0 :              -0.00014144433284
                   +1 :              -0.00053179960808
                3d
                   -2 :               0.00026582452654
                   -1 :              -0.00016026903757
                   +0 :               0.00000496370342
                   +1 :              -0.00005843452766
                   +2 :              -0.00036958814812
              8 vec=     5.396321     12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00015411670618
                2p
                   -1 :              -0.00000342231389
                   +0 :               0.00007581209435
                   +1 :              -0.00001380045718
                3s
                   +0 :              -0.00059638500956
                4s
                   +0 :               0.00015141048559
                3p
                   -1 :              -0.00005473406913
                   +0 :              -0.00038319154295
                   +1 :               0.00013051356777
                4p
                   -1 :               0.00003008436506
                   +0 :               0.00002587724055
                   +1 :              -0.00004841369531
                3d
                   -2 :               0.00028038653943
                   -1 :              -0.00018057188266
                   +0 :              -0.00005485765269
                   +1 :               0.00006796765998
                   +2 :               0.00000463949694
              9 vec=    13.176483     -1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00015932264451
                2p
                   -1 :               0.00000855509884
                   +0 :              -0.00008153580504
                   +1 :               0.00003367379351
                3s
                   +0 :              -0.00034991093816
                4s
                   +0 :              -0.00002011345954
                3p
                   -1 :              -0.00003467614934
                   +0 :               0.00031499347632
                   +1 :               0.00003376052398
                4p
                   -1 :               0.00002708677243
                   +0 :              -0.00005908674149
                   +1 :              -0.00009966223653
                3d
                   -2 :               0.00002907779308
                   -1 :               0.00004461499866
                   +0 :              -0.00001419596219
                   +1 :               0.00006864391903
                   +2 :               0.00003270846971
             10 vec=    13.176483      7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00003325213988
                2p
                   -1 :              -0.00001356125298
                   +0 :               0.00003129745069
                   +1 :              -0.00005634356901
                3s
                   +0 :               0.00010265137224
                4s
                   +0 :              -0.00003119252794
                3p
                   -1 :               0.00006706272629
                   +0 :              -0.00016930502138
                   +1 :               0.00026178119752
                4p
                   -1 :              -0.00000433031030
                   +0 :               0.00002469594598
                   +1 :              -0.00007251222919
                3d
                   -2 :               0.00006985291659
                   -1 :              -0.00003133348956
                   +0 :              -0.00001262036973
                   +1 :              -0.00005686063148
                   +2 :               0.00003429121328
             11 vec=   -10.164004     12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00003958026287
                2p
                   -1 :               0.00000293878533
                   +0 :              -0.00001353540191
                   +1 :              -0.00003602954164
                3s
                   +0 :               0.00009023482801
                4s
                   +0 :               0.00000147809589
                3p
                   -1 :               0.00006409976223
                   +0 :              -0.00007287027973
                   +1 :               0.00002719175522
                4p
                   -1 :              -0.00002787744928
                   +0 :               0.00000754358550
                   +1 :              -0.00001876093449
                3d
                   -2 :              -0.00000379301109
                   -1 :              -0.00003654040914
                   +0 :               0.00002354799509
                   +1 :               0.00001541533031
                   +2 :               0.00002596401823
             12 vec=     5.396321    -14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00004420443171
                2p
                   -1 :               0.00004111215222
                   +0 :               0.00004218850148
                   +1 :               0.00005634902845
                3s
                   +0 :               0.00034269273050
                4s
                   +0 :              -0.00009949345293
                3p
                   -1 :              -0.00033280561121
                   +0 :              -0.00027040459061
                   +1 :              -0.00035094351696
                4p
                   -1 :               0.00008428900210
                   +0 :               0.00003785470394
                   +1 :               0.00008261483962
                3d
                   -2 :               0.00003365165334
                   -1 :               0.00006598951179
                   +0 :               0.00001072885641
                   +1 :               0.00001383009662
                   +2 :              -0.00005478802114
             13 vec=    -2.383842     16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00000346637833
                2p
                   -1 :               0.00001273155098
                   +0 :               0.00000283643515
                   +1 :               0.00001978928442
                3s
                   +0 :              -0.00000217596175
                4s
                   +0 :               0.00000941397188
                3p
                   -1 :              -0.00005463466274
                   +0 :              -0.00003544837392
                   +1 :              -0.00011246012907
                4p
                   -1 :               0.00000703185082
                   +0 :               0.00000360505039
                   +1 :               0.00003956979749
                3d
                   -2 :              -0.00003419322940
                   -1 :               0.00001207607541
                   +0 :              -0.00001483425712
                   +1 :              -0.00001116747935
                   +2 :              -0.00000186260831
             14 vec=    13.176483    -10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00000929697705
                2p
                   -1 :              -0.00000918986763
                   +0 :              -0.00001233723895
                   +1 :              -0.00000075370097
                3s
                   +0 :               0.00006086482797
                4s
                   +0 :              -0.00000332436390
                3p
                   -1 :               0.00003644338122
                   +0 :               0.00001380118899
                   +1 :              -0.00000709786170
                4p
                   -1 :              -0.00000369687178
                   +0 :               0.00000890343258
                   +1 :               0.00001290585553
                3d
                   -2 :               0.00001595292769
                   -1 :              -0.00000191706454
                   +0 :               0.00001297475274
                   +1 :               0.00001062560712
                   +2 :               0.00001416013481
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al(  5)  npairs=  14
              1 vec=     2.802933     -1.376312     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02247134027603
                2p
                   -1 :               0.01079287062900
                   +0 :               0.00425713147392
                   +1 :              -0.01940838663065
                3s
                   +0 :              -0.03289251390016
                4s
                   +0 :              -0.00937578260949
                3p
                   -1 :               0.02269106638795
                   +0 :              -0.01444988469555
                   +1 :              -0.05401573384085
                4p
                   -1 :               0.00629255030566
                   +0 :               0.00308419354571
                   +1 :              -0.00732963938080
                3d
                   -2 :               0.03049234546247
                   -1 :              -0.00134891474044
                   +0 :               0.03081230138315
                   +1 :               0.00073304669186
                   +2 :              -0.02196516889023
              2 vec=    -4.977229      3.115567     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00177312862029
                2p
                   -1 :               0.00080214996904
                   +0 :               0.00035248922269
                   +1 :              -0.00122104464349
                3s
                   +0 :              -0.00378358688530
                4s
                   +0 :               0.00359008208605
                3p
                   -1 :              -0.00070713827044
                   +0 :               0.00144558200231
                   +1 :               0.00631585221943
                4p
                   -1 :               0.00058319244745
                   +0 :               0.00049065883260
                   +1 :              -0.00202409388649
                3d
                   -2 :               0.00175619952873
                   -1 :               0.00090835231600
                   +0 :              -0.00014635837719
                   +1 :              -0.00142298424127
                   +2 :              -0.00205472875329
              3 vec=    -4.977229     -5.868191     -1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00018853754962
                2p
                   -1 :              -0.00045700977924
                   +0 :              -0.00020729604462
                   +1 :               0.00063009438921
                3s
                   +0 :               0.00577638246420
                4s
                   +0 :              -0.00090949320187
                3p
                   -1 :              -0.00132599826237
                   +0 :               0.00144996442344
                   +1 :              -0.00809267590283
                4p
                   -1 :              -0.00031061895065
                   +0 :              -0.00105093201717
                   +1 :               0.00113372045400
                3d
                   -2 :               0.00123700276854
                   -1 :               0.00011051515028
                   +0 :              -0.00116439141603
                   +1 :               0.00080691656368
                   +2 :               0.00176627105517
              4 vec=     2.802933      7.607446     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00050019101078
                2p
                   -1 :               0.00058332849729
                   +0 :               0.00021533450532
                   +1 :               0.00079656139739
                3s
                   +0 :              -0.00214609087988
                4s
                   +0 :               0.00081139666988
                3p
                   -1 :              -0.00213322529525
                   +0 :              -0.00096112827755
                   +1 :              -0.00395862534397
                4p
                   -1 :               0.00067874066072
                   +0 :               0.00024628255637
                   +1 :               0.00126406698378
                3d
                   -2 :              -0.00083346831470
                   -1 :              -0.00022507061201
                   +0 :              -0.00002618021000
                   +1 :               0.00075013334316
                   +2 :               0.00001899925027
              5 vec=     2.802933    -10.360070     -1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00011532759720
                2p
                   -1 :              -0.00001658672552
                   +0 :               0.00009434472777
                   +1 :              -0.00004308966593
                3s
                   +0 :              -0.00051370263971
                4s
                   +0 :               0.00008311988059
                3p
                   -1 :               0.00107979085429
                   +0 :              -0.00129876454408
                   +1 :               0.00030103759040
                4p
                   -1 :              -0.00033705108167
                   +0 :               0.00017201486745
                   +1 :              -0.00001914952868
                3d
                   -2 :              -0.00006686151281
                   -1 :               0.00027678647785
                   +0 :              -0.00017918833685
                   +1 :              -0.00017143533794
                   +2 :               0.00014394960585
              6 vec=    10.583096      3.115567     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00000089758314
                2p
                   -1 :               0.00005518528357
                   +0 :               0.00000218932097
                   +1 :               0.00000316193261
                3s
                   +0 :              -0.00112228864116
                4s
                   +0 :               0.00035051531570
                3p
                   -1 :              -0.00056136597455
                   +0 :              -0.00062040237167
                   +1 :              -0.00068247397028
                4p
                   -1 :               0.00012328441944
                   +0 :               0.00008350784149
                   +1 :               0.00023278448831
                3d
                   -2 :              -0.00022002819137
                   -1 :              -0.00023586875024
                   +0 :              -0.00026263502327
                   +1 :              -0.00015031723718
                   +2 :               0.00014485924074
              7 vec=    10.583096     -5.868191     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00015661372638
                2p
                   -1 :               0.00003608223998
                   +0 :              -0.00022552367085
                   +1 :               0.00011416663416
                3s
                   +0 :              -0.00037240228562
                4s
                   +0 :              -0.00005020454075
                3p
                   -1 :              -0.00022301521981
                   +0 :               0.00105120351483
                   +1 :              -0.00053729324531
                4p
                   -1 :               0.00006835313350
                   +0 :              -0.00025080459454
                   +1 :               0.00001659004378
                3d
                   -2 :               0.00001208533205
                   -1 :              -0.00000151991302
                   +0 :              -0.00006672474889
                   +1 :               0.00012928291339
                   +2 :              -0.00011269833636
              8 vec=   -12.757392     -1.376312     -1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00005672066565
                2p
                   -1 :               0.00019657917362
                   +0 :               0.00021151145978
                   +1 :               0.00004342357365
                3s
                   +0 :              -0.00044745871360
                4s
                   +0 :               0.00026933713259
                3p
                   -1 :              -0.00093842139905
                   +0 :              -0.00091443101347
                   +1 :              -0.00010129864987
                4p
                   -1 :               0.00023684334934
                   +0 :               0.00022275483156
                   +1 :              -0.00005510650223
                3d
                   -2 :               0.00022009088153
                   -1 :              -0.00001763821465
                   +0 :              -0.00010563207176
                   +1 :               0.00020571301218
                   +2 :               0.00021081441510
              9 vec=    -4.977229     12.099325     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00022351797925
                2p
                   -1 :              -0.00015551288784
                   +0 :               0.00001093146097
                   +1 :              -0.00003147374568
                3s
                   +0 :               0.00053298417002
                4s
                   +0 :              -0.00025475066813
                3p
                   -1 :               0.00061608558645
                   +0 :               0.00026755344511
                   +1 :               0.00012459916294
                4p
                   -1 :              -0.00016528851881
                   +0 :              -0.00004750917493
                   +1 :              -0.00006566473702
                3d
                   -2 :               0.00001408459710
                   -1 :              -0.00001772395473
                   +0 :              -0.00009264495227
                   +1 :               0.00003420899791
                   +2 :              -0.00007909531098
             10 vec=   -12.757392      7.607446     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00004621340735
                2p
                   -1 :              -0.00001087870795
                   +0 :               0.00001867011002
                   +1 :              -0.00000347142409
                3s
                   +0 :               0.00018583526451
                4s
                   +0 :              -0.00007869288189
                3p
                   -1 :               0.00014752470312
                   +0 :               0.00002169377257
                   +1 :              -0.00005371024566
                4p
                   -1 :              -0.00006792467255
                   +0 :              -0.00001299947899
                   +1 :               0.00002015272860
                3d
                   -2 :              -0.00002855851391
                   -1 :               0.00002737471670
                   +0 :              -0.00006045019144
                   +1 :              -0.00005007405027
                   +2 :              -0.00004297266375
             11 vec=    -4.977229    -14.851949     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00001106484618
                2p
                   -1 :               0.00001536571229
                   +0 :              -0.00001001743043
                   +1 :              -0.00003095561500
                3s
                   +0 :              -0.00005204461122
                4s
                   +0 :               0.00003206168843
                3p
                   -1 :              -0.00007554793162
                   +0 :              -0.00005922931761
                   +1 :               0.00017290094392
                4p
                   -1 :               0.00001774428792
                   +0 :               0.00004775414094
                   +1 :              -0.00007146615920
                3d
                   -2 :               0.00003895591297
                   -1 :               0.00000586557574
                   +0 :              -0.00000240284271
                   +1 :               0.00001573615983
                   +2 :              -0.00004228517393
             12 vec=    10.583096     12.099325     -1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00001106343010
                2p
                   -1 :              -0.00000566444197
                   +0 :               0.00001196402155
                   +1 :               0.00000400348603
                3s
                   +0 :              -0.00007762328263
                4s
                   +0 :               0.00002282090342
                3p
                   -1 :               0.00003777605565
                   +0 :              -0.00009015650192
                   +1 :              -0.00007116557414
                4p
                   -1 :              -0.00000695451644
                   +0 :               0.00000446897234
                   +1 :               0.00001596856701
                3d
                   -2 :              -0.00001659051963
                   -1 :              -0.00001253045337
                   +0 :              -0.00003580033509
                   +1 :              -0.00001215315098
                   +2 :              -0.00001258220532
             13 vec=   -12.757392    -10.360070     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00002210030162
                2p
                   -1 :               0.00000563043122
                   +0 :               0.00000349030366
                   +1 :               0.00002670236684
                3s
                   +0 :               0.00017813698628
                4s
                   +0 :              -0.00011821467378
                3p
                   -1 :              -0.00012136871068
                   +0 :              -0.00000896382010
                   +1 :              -0.00019164110839
                4p
                   -1 :               0.00007081946465
                   +0 :              -0.00000095990549
                   +1 :               0.00006640402116
                3d
                   -2 :               0.00003170559794
                   -1 :               0.00001499855493
                   +0 :               0.00002006360506
                   +1 :              -0.00000556184068
                   +2 :               0.00001897748930
             14 vec=     2.802933     16.591204     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00002331531013
                2p
                   -1 :              -0.00001979281556
                   +0 :               0.00001390671700
                   +1 :              -0.00001650097329
                3s
                   +0 :              -0.00012192008271
                4s
                   +0 :               0.00005289978342
                3p
                   -1 :               0.00006912769603
                   +0 :              -0.00006080793562
                   +1 :               0.00009407797515
                4p
                   -1 :              -0.00000461358703
                   +0 :               0.00000909934176
                   +1 :              -0.00002977513639
                3d
                   -2 :               0.00001181603741
                   -1 :              -0.00000382083459
                   +0 :              -0.00001971952823
                   +1 :              -0.00002707588894
                   +2 :              -0.00003631569744
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al(  6)  npairs=  14
              1 vec=     2.802933     -1.376312      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00462846692519
                2p
                   -1 :               0.00070123223979
                   +0 :              -0.00280851817766
                   +1 :              -0.00210458501234
                3s
                   +0 :               0.01125636646880
                4s
                   +0 :              -0.00744219086132
                3p
                   -1 :              -0.00296829409223
                   +0 :               0.01197041632596
                   +1 :               0.00673386334398
                4p
                   -1 :               0.00168396442003
                   +0 :              -0.00551072691283
                   +1 :              -0.00348994097589
                3d
                   -2 :               0.00088713750678
                   -1 :              -0.00053603762447
                   +0 :               0.00208195988666
                   +1 :               0.00087413977660
                   +2 :              -0.00108750731584
              2 vec=    -4.977229      3.115567      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00136707024613
                2p
                   -1 :               0.00080196497459
                   +0 :               0.00051548892153
                   +1 :              -0.00097577925754
                3s
                   +0 :               0.00900611772545
                4s
                   +0 :               0.00158464130591
                3p
                   -1 :              -0.00073061107198
                   +0 :               0.00050108878106
                   +1 :              -0.00769504292647
                4p
                   -1 :               0.00176362469200
                   +0 :               0.00040670724800
                   +1 :              -0.00078254319540
                3d
                   -2 :              -0.00197773234127
                   -1 :              -0.00008798846677
                   +0 :              -0.00210752996479
                   +1 :              -0.00079952986566
                   +2 :               0.00282117321896
              3 vec=    -4.977229     -5.868191      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00053450256234
                2p
                   -1 :              -0.00018751731376
                   +0 :               0.00009750484316
                   +1 :               0.00102607234911
                3s
                   +0 :              -0.00112192615617
                4s
                   +0 :               0.00028981141925
                3p
                   -1 :               0.00115982171169
                   +0 :              -0.00049693340305
                   +1 :              -0.00467903033090
                4p
                   -1 :              -0.00021061731749
                   +0 :               0.00022278663722
                   +1 :               0.00101942993370
                3d
                   -2 :               0.00099615673678
                   -1 :              -0.00022630738688
                   +0 :               0.00016007086047
                   +1 :              -0.00094960567569
                   +2 :              -0.00015188381767
              4 vec=     2.802933      7.607446      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00002605474779
                2p
                   -1 :               0.00029040006802
                   +0 :              -0.00035955485320
                   +1 :               0.00013451886126
                3s
                   +0 :              -0.00010337152412
                4s
                   +0 :               0.00019643914696
                3p
                   -1 :              -0.00129875364346
                   +0 :               0.00231386431541
                   +1 :              -0.00079350262896
                4p
                   -1 :               0.00071320469086
                   +0 :              -0.00062621869893
                   +1 :               0.00019312697431
                3d
                   -2 :              -0.00025332167707
                   -1 :               0.00037359462001
                   +0 :               0.00021040624292
                   +1 :               0.00012681991253
                   +2 :              -0.00034918443689
              5 vec=     2.802933    -10.360070      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00034488073605
                2p
                   -1 :              -0.00024477696581
                   +0 :               0.00017106059749
                   +1 :              -0.00007642890505
                3s
                   +0 :              -0.00069447191512
                4s
                   +0 :               0.00037396869926
                3p
                   -1 :               0.00108930347549
                   +0 :               0.00001247176694
                   +1 :               0.00005049666336
                4p
                   -1 :              -0.00032734413999
                   +0 :               0.00012787082423
                   +1 :              -0.00007318124106
                3d
                   -2 :               0.00006158822780
                   -1 :              -0.00004101979485
                   +0 :               0.00024316237103
                   +1 :              -0.00005031873928
                   +2 :               0.00011615892137
              6 vec=    10.583096      3.115567      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00051288332275
                2p
                   -1 :               0.00017205304810
                   +0 :               0.00018092524928
                   +1 :               0.00028291571974
                3s
                   +0 :              -0.00138595836347
                4s
                   +0 :               0.00031687611150
                3p
                   -1 :              -0.00073953205573
                   +0 :              -0.00066910047072
                   +1 :              -0.00136826593423
                4p
                   -1 :               0.00019762390426
                   +0 :               0.00011984576242
                   +1 :               0.00015481307763
                3d
                   -2 :              -0.00029213680471
                   -1 :              -0.00011753564073
                   +0 :               0.00011264567453
                   +1 :              -0.00039823520764
                   +2 :              -0.00032186334316
              7 vec=    10.583096     -5.868191      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00013103803729
                2p
                   -1 :               0.00010999762168
                   +0 :              -0.00004182671245
                   +1 :              -0.00004414878774
                3s
                   +0 :               0.00089875883970
                4s
                   +0 :              -0.00021157059463
                3p
                   -1 :              -0.00066582194862
                   +0 :               0.00001239848781
                   +1 :               0.00041371551800
                4p
                   -1 :               0.00013953291429
                   +0 :               0.00006013193352
                   +1 :              -0.00011087037853
                3d
                   -2 :              -0.00014789912637
                   -1 :              -0.00006484713009
                   +0 :               0.00002071080631
                   +1 :               0.00001631325921
                   +2 :              -0.00012920738889
              8 vec=   -12.757392     -1.376312      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00041527439865
                2p
                   -1 :               0.00016318550129
                   +0 :               0.00005026998989
                   +1 :              -0.00025152293034
                3s
                   +0 :              -0.00100196714596
                4s
                   +0 :               0.00020058696535
                3p
                   -1 :              -0.00077059689502
                   +0 :              -0.00024054472810
                   +1 :               0.00085078980192
                4p
                   -1 :               0.00017805233576
                   +0 :               0.00006149453978
                   +1 :              -0.00005889774357
                3d
                   -2 :               0.00019569934991
                   -1 :              -0.00011083224825
                   +0 :               0.00009236585265
                   +1 :               0.00015500562063
                   +2 :              -0.00016823788276
              9 vec=    -4.977229     12.099325      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00003637754239
                2p
                   -1 :              -0.00006750962329
                   +0 :               0.00003499967993
                   +1 :              -0.00003994168352
                3s
                   +0 :               0.00021215980267
                4s
                   +0 :               0.00007316713152
                3p
                   -1 :               0.00033526940354
                   +0 :              -0.00038797230724
                   +1 :               0.00029754532141
                4p
                   -1 :               0.00000146366784
                   +0 :               0.00008575882768
                   +1 :              -0.00005402979100
                3d
                   -2 :              -0.00004576261492
                   -1 :               0.00001127871842
                   +0 :               0.00005177774492
                   +1 :               0.00002833362520
                   +2 :              -0.00010959707773
             10 vec=   -12.757392      7.607446      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00004651537824
                2p
                   -1 :               0.00000469292944
                   +0 :               0.00001215375110
                   +1 :              -0.00000721547881
                3s
                   +0 :              -0.00006781028047
                4s
                   +0 :               0.00000726364631
                3p
                   -1 :               0.00005702975167
                   +0 :              -0.00006819672038
                   +1 :               0.00003944938094
                4p
                   -1 :              -0.00002161085652
                   +0 :               0.00000140166379
                   +1 :              -0.00000226542408
                3d
                   -2 :               0.00000515371157
                   -1 :              -0.00001493674716
                   +0 :              -0.00001244616317
                   +1 :               0.00003586809476
                   +2 :              -0.00001934391892
             11 vec=    -4.977229    -14.851949      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00003570759963
                2p
                   -1 :              -0.00000217570955
                   +0 :              -0.00000335636478
                   +1 :              -0.00003412252936
                3s
                   +0 :               0.00022782212407
                4s
                   +0 :              -0.00003069601993
                3p
                   -1 :              -0.00006725262840
                   +0 :               0.00009575984196
                   +1 :               0.00021739123799
                4p
                   -1 :              -0.00000331273147
                   +0 :              -0.00001370889013
                   +1 :              -0.00005642617485
                3d
                   -2 :              -0.00004166682223
                   -1 :              -0.00003815986739
                   +0 :               0.00001177254063
                   +1 :               0.00005172990682
                   +2 :               0.00000024962570
             12 vec=    10.583096     12.099325      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00003166824533
                2p
                   -1 :               0.00002459841792
                   +0 :               0.00000663357138
                   +1 :               0.00004037981032
                3s
                   +0 :               0.00002332108907
                4s
                   +0 :               0.00005506987479
                3p
                   -1 :              -0.00012249910418
                   +0 :               0.00006243527793
                   +1 :              -0.00008925826743
                4p
                   -1 :               0.00004473560189
                   +0 :              -0.00000811753975
                   +1 :               0.00004154377199
                3d
                   -2 :              -0.00004556186727
                   -1 :              -0.00001149397669
                   +0 :               0.00002692606220
                   +1 :              -0.00000359190565
                   +2 :               0.00001534210039
             13 vec=   -12.757392    -10.360070      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00001543046550
                2p
                   -1 :               0.00001024660949
                   +0 :              -0.00000863484013
                   +1 :               0.00002730181761
                3s
                   +0 :               0.00006719586518
                4s
                   +0 :              -0.00006178390066
                3p
                   -1 :              -0.00009066272701
                   +0 :               0.00008400565544
                   +1 :              -0.00022789686373
                4p
                   -1 :               0.00005076342881
                   +0 :              -0.00004089338364
                   +1 :               0.00008921177545
                3d
                   -2 :               0.00002639442188
                   -1 :              -0.00000377809770
                   +0 :               0.00001335847954
                   +1 :              -0.00002643222657
                   +2 :               0.00004560463225
             14 vec=     2.802933     16.591204      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000757441738
                2p
                   -1 :               0.00001744120726
                   +0 :               0.00000721573182
                   +1 :              -0.00000937284083
                3s
                   +0 :               0.00005117128381
                4s
                   +0 :               0.00001276892550
                3p
                   -1 :              -0.00008305489414
                   +0 :              -0.00006805079880
                   +1 :               0.00005378039707
                4p
                   -1 :               0.00003603077483
                   +0 :               0.00002112058655
                   +1 :              -0.00002286802358
                3d
                   -2 :              -0.00000021687595
                   -1 :              -0.00003455438509
                   +0 :               0.00001205605626
                   +1 :              -0.00000418840318
                   +2 :               0.00001378482619
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al(  7)  npairs=  13
              1 vec=     2.802933     -1.376312     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00164813756860
                2p
                   -1 :              -0.00042040011944
                   +0 :              -0.00128652931657
                   +1 :               0.00098305092681
                3s
                   +0 :              -0.00675501508476
                4s
                   +0 :               0.00243409989242
                3p
                   -1 :               0.00011156032358
                   +0 :              -0.00034888575104
                   +1 :              -0.00133868704377
                4p
                   -1 :              -0.00019689307935
                   +0 :              -0.00173464969899
                   +1 :               0.00020569344170
                3d
                   -2 :              -0.00323273313413
                   -1 :               0.00123034021666
                   +0 :               0.00269957499168
                   +1 :              -0.00225807745043
                   +2 :               0.00115651392229
              2 vec=    -4.977229      3.115567     -6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00121491609380
                2p
                   -1 :              -0.00034193411776
                   +0 :               0.00009620648565
                   +1 :              -0.00004587365331
                3s
                   +0 :              -0.01650881942066
                4s
                   +0 :               0.00033710838748
                3p
                   -1 :              -0.00318489167967
                   +0 :               0.00819875049058
                   +1 :               0.00960415191163
                4p
                   -1 :              -0.00079250551553
                   +0 :               0.00054173179761
                   +1 :               0.00006419726214
                3d
                   -2 :               0.00228657719747
                   -1 :               0.00188325206521
                   +0 :              -0.00062364112913
                   +1 :              -0.00389042811238
                   +2 :              -0.00174948429382
              3 vec=    -4.977229     -5.868191     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00064565851961
                2p
                   -1 :               0.00018039331421
                   +0 :               0.00038807435380
                   +1 :              -0.00075497842975
                3s
                   +0 :              -0.00055710827024
                4s
                   +0 :               0.00107243151735
                3p
                   -1 :               0.00060942881953
                   +0 :              -0.00108345220005
                   +1 :               0.00432317779121
                4p
                   -1 :              -0.00055282656112
                   +0 :              -0.00024927270501
                   +1 :              -0.00136979500678
                3d
                   -2 :              -0.00134553706681
                   -1 :               0.00011294834241
                   +0 :              -0.00039208674236
                   +1 :              -0.00035977643170
                   +2 :              -0.00015617461881
              4 vec=     2.802933      7.607446     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00047687764226
                2p
                   -1 :               0.00020295141346
                   +0 :              -0.00001220333248
                   +1 :              -0.00000389512984
                3s
                   +0 :              -0.00240707109822
                4s
                   +0 :               0.00080741477761
                3p
                   -1 :              -0.00180822249451
                   +0 :              -0.00020279493292
                   +1 :              -0.00057317308164
                4p
                   -1 :               0.00062776062297
                   +0 :               0.00006324714751
                   +1 :               0.00017825796499
                3d
                   -2 :              -0.00035697526857
                   -1 :               0.00011431664117
                   +0 :              -0.00024990983219
                   +1 :              -0.00003042215057
                   +2 :               0.00023639638534
              5 vec=     2.802933    -10.360070     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00028462090284
                2p
                   -1 :              -0.00007142105509
                   +0 :              -0.00010560651588
                   +1 :              -0.00001780945929
                3s
                   +0 :              -0.00069020355396
                4s
                   +0 :               0.00003416330620
                3p
                   -1 :              -0.00006276423312
                   +0 :               0.00069602891569
                   +1 :               0.00044940389439
                4p
                   -1 :               0.00015419841821
                   +0 :              -0.00006173685045
                   +1 :              -0.00015533837102
                3d
                   -2 :              -0.00018527097158
                   -1 :              -0.00018883719577
                   +0 :              -0.00029252851235
                   +1 :              -0.00007765751829
                   +2 :              -0.00007160892178
              6 vec=    10.583096      3.115567     -6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00042933419294
                2p
                   -1 :              -0.00002400487949
                   +0 :               0.00013081771345
                   +1 :              -0.00019300623789
                3s
                   +0 :               0.00142043523615
                4s
                   +0 :              -0.00045875952935
                3p
                   -1 :               0.00005142599007
                   +0 :              -0.00057951428676
                   +1 :               0.00111861230331
                4p
                   -1 :              -0.00002756960753
                   +0 :               0.00017467976198
                   +1 :              -0.00019014347755
                3d
                   -2 :               0.00004570847539
                   -1 :              -0.00008268870955
                   +0 :              -0.00005055961977
                   +1 :              -0.00016112012074
                   +2 :               0.00011088742392
              7 vec=    10.583096     -5.868191     -6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00013835781448
                2p
                   -1 :               0.00000873650391
                   +0 :               0.00008719528766
                   +1 :               0.00001218131522
                3s
                   +0 :               0.00026792777256
                4s
                   +0 :              -0.00016860864151
                3p
                   -1 :              -0.00004220892668
                   +0 :              -0.00050687582713
                   +1 :              -0.00020060235377
                4p
                   -1 :               0.00007696986448
                   +0 :               0.00010126053469
                   +1 :               0.00002755703686
                3d
                   -2 :               0.00006108407854
                   -1 :               0.00002357466042
                   +0 :              -0.00002400593014
                   +1 :              -0.00007329721167
                   +2 :              -0.00005562440919
              8 vec=   -12.757392     -1.376312     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00008816670241
                2p
                   -1 :              -0.00001315217915
                   +0 :              -0.00003780465485
                   +1 :               0.00001581609622
                3s
                   +0 :               0.00029164368916
                4s
                   +0 :              -0.00013017036427
                3p
                   -1 :               0.00015483132646
                   +0 :               0.00009100648931
                   +1 :              -0.00000762768393
                4p
                   -1 :              -0.00002727439746
                   +0 :               0.00004051547861
                   +1 :              -0.00001954289615
                3d
                   -2 :              -0.00009908008439
                   -1 :               0.00001938032654
                   +0 :               0.00006658048189
                   +1 :              -0.00001777142666
                   +2 :              -0.00004938752282
              9 vec=    -4.977229     12.099325     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00004380228119
                2p
                   -1 :              -0.00003980349301
                   +0 :               0.00000290363697
                   +1 :              -0.00000795184117
                3s
                   +0 :               0.00004230788012
                4s
                   +0 :               0.00008415359015
                3p
                   -1 :               0.00018545818877
                   +0 :               0.00005688694806
                   +1 :              -0.00008995488448
                4p
                   -1 :              -0.00000118856112
                   +0 :              -0.00003652767270
                   +1 :               0.00003071667251
                3d
                   -2 :              -0.00000524745532
                   -1 :               0.00001634636640
                   +0 :              -0.00000882232369
                   +1 :               0.00001434685885
                   +2 :              -0.00002746296290
             10 vec=   -12.757392      7.607446     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00008804555508
                2p
                   -1 :               0.00001923019685
                   +0 :              -0.00004454395710
                   +1 :              -0.00000676359854
                3s
                   +0 :              -0.00033494289496
                4s
                   +0 :               0.00006848305518
                3p
                   -1 :              -0.00013741700770
                   +0 :               0.00022580763545
                   +1 :              -0.00001662608080
                4p
                   -1 :               0.00003277206618
                   +0 :              -0.00005136120222
                   +1 :               0.00004188351867
                3d
                   -2 :               0.00001974611033
                   -1 :               0.00001470100586
                   +0 :              -0.00003941701704
                   +1 :              -0.00003658940707
                   +2 :               0.00001209350071
             11 vec=    -4.977229    -14.851949     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00002068188087
                2p
                   -1 :               0.00000356229323
                   +0 :               0.00002031191333
                   +1 :               0.00000035033580
                3s
                   +0 :               0.00000301237199
                4s
                   +0 :              -0.00004566620033
                3p
                   -1 :              -0.00005780145691
                   +0 :              -0.00012363003503
                   +1 :               0.00001235998920
                4p
                   -1 :               0.00004393188360
                   +0 :               0.00003487058144
                   +1 :              -0.00000633379278
                3d
                   -2 :              -0.00003785018577
                   -1 :               0.00002640257126
                   +0 :               0.00001679202682
                   +1 :               0.00001137180209
                   +2 :               0.00000290182971
             12 vec=    10.583096     12.099325     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00001576127236
                2p
                   -1 :              -0.00002338561444
                   +0 :              -0.00003725156806
                   +1 :               0.00000882133631
                3s
                   +0 :              -0.00009555552625
                4s
                   +0 :               0.00001080973430
                3p
                   -1 :               0.00012114759092
                   +0 :               0.00018713037004
                   +1 :              -0.00005812780515
                4p
                   -1 :              -0.00003999567502
                   +0 :              -0.00003518162574
                   +1 :               0.00000080924862
                3d
                   -2 :               0.00001718739546
                   -1 :               0.00003395857999
                   +0 :              -0.00003430466105
                   +1 :               0.00002718715725
                   +2 :              -0.00003075863782
             13 vec=   -12.757392    -10.360070     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00001782372978
                2p
                   -1 :               0.00001510523614
                   +0 :               0.00002610752806
                   +1 :              -0.00002614726231
                3s
                   +0 :              -0.00014266595666
                4s
                   +0 :               0.00009770403029
                3p
                   -1 :              -0.00007428840871
                   +0 :              -0.00010196130462
                   +1 :               0.00019511823019
                4p
                   -1 :               0.00001207288376
                   +0 :               0.00000812430661
                   +1 :              -0.00007970550255
                3d
                   -2 :              -0.00001696269979
                   -1 :               0.00001570875002
                   +0 :              -0.00002110864383
                   +1 :               0.00003468929975
                   +2 :              -0.00002101483560
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al(  8)  npairs=  15
              1 vec=     2.802933     -1.376312     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00079768879010
                2p
                   -1 :              -0.00008107755568
                   +0 :               0.00037883940903
                   +1 :               0.00044132614991
                3s
                   +0 :              -0.00056717453045
                4s
                   +0 :               0.00021001456153
                3p
                   -1 :               0.00135824010355
                   +0 :              -0.00052442130823
                   +1 :              -0.00267100519408
                4p
                   -1 :              -0.00029036906426
                   +0 :               0.00008809655240
                   +1 :               0.00050451148008
                3d
                   -2 :               0.00021315256419
                   -1 :               0.00017284013847
                   +0 :               0.00022684806238
                   +1 :              -0.00024773498530
                   +2 :              -0.00010761214659
              2 vec=    -4.977229      3.115567     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00004372979312
                2p
                   -1 :               0.00005700595322
                   +0 :               0.00005590735924
                   +1 :              -0.00001676847306
                3s
                   +0 :               0.00089272453433
                4s
                   +0 :              -0.00019174025732
                3p
                   -1 :              -0.00065309968130
                   +0 :              -0.00024427369805
                   +1 :              -0.00051382264001
                4p
                   -1 :              -0.00001002121850
                   +0 :              -0.00006626332810
                   +1 :              -0.00001306932664
                3d
                   -2 :               0.00054074587091
                   -1 :              -0.00030521162792
                   +0 :              -0.00034223588666
                   +1 :               0.00003254204484
                   +2 :              -0.00001892621081
              3 vec=    -4.977229     -5.868191     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00025808923048
                2p
                   -1 :               0.00002218124239
                   +0 :              -0.00003260753032
                   +1 :              -0.00010685085403
                3s
                   +0 :               0.00230464250063
                4s
                   +0 :              -0.00032117377796
                3p
                   -1 :              -0.00081720509154
                   +0 :               0.00121747403285
                   +1 :              -0.00049228164252
                4p
                   -1 :               0.00010972311275
                   +0 :              -0.00011716062552
                   +1 :              -0.00006006974925
                3d
                   -2 :               0.00014328519419
                   -1 :              -0.00022886708653
                   +0 :               0.00015108811998
                   +1 :              -0.00018013248697
                   +2 :               0.00005896669712
              4 vec=     2.802933      7.607446     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00031852664497
                2p
                   -1 :              -0.00005153639105
                   +0 :              -0.00002520791775
                   +1 :              -0.00000193177360
                3s
                   +0 :               0.00288396822293
                4s
                   +0 :              -0.00055420344883
                3p
                   -1 :               0.00165067792950
                   +0 :               0.00125296694276
                   +1 :               0.00016589158690
                4p
                   -1 :              -0.00013027543243
                   +0 :              -0.00013890016766
                   +1 :              -0.00010700121478
                3d
                   -2 :               0.00004571089346
                   -1 :               0.00048176623611
                   +0 :               0.00022099749811
                   +1 :              -0.00006147085592
                   +2 :              -0.00043378757386
              5 vec=     2.802933     -1.376312    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00000711330225
                2p
                   -1 :               0.00009888699266
                   +0 :              -0.00000516184772
                   +1 :              -0.00004561117261
                3s
                   +0 :              -0.00004891401963
                4s
                   +0 :               0.00003929016419
                3p
                   -1 :              -0.00048224442821
                   +0 :              -0.00007335624048
                   +1 :               0.00027979435392
                4p
                   -1 :               0.00009620515070
                   +0 :              -0.00000364198989
                   +1 :              -0.00004638338980
                3d
                   -2 :              -0.00005231026396
                   -1 :               0.00011039465517
                   +0 :               0.00002111867216
                   +1 :              -0.00002296948036
                   +2 :              -0.00006870055770
              6 vec=    -4.977229      3.115567    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00017277779067
                2p
                   -1 :               0.00007219681689
                   +0 :              -0.00002468877083
                   +1 :              -0.00012546525143
                3s
                   +0 :              -0.00054244046780
                4s
                   +0 :               0.00014742049296
                3p
                   -1 :              -0.00020773451843
                   +0 :               0.00000976754242
                   +1 :               0.00046590411644
                4p
                   -1 :               0.00000647175878
                   +0 :              -0.00000352825322
                   +1 :              -0.00008477513665
                3d
                   -2 :               0.00011504246518
                   -1 :               0.00001969727022
                   +0 :               0.00008404163802
                   +1 :               0.00000662010130
                   +2 :              -0.00008175061199
              7 vec=     2.802933    -10.360070     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00003269323285
                2p
                   -1 :               0.00002326981648
                   +0 :               0.00001496173534
                   +1 :               0.00004135093150
                3s
                   +0 :               0.00024816136120
                4s
                   +0 :              -0.00007857084470
                3p
                   -1 :              -0.00013594754345
                   +0 :              -0.00014920660950
                   +1 :              -0.00020547970680
                4p
                   -1 :               0.00003795918855
                   +0 :               0.00002323706048
                   +1 :               0.00004306076227
                3d
                   -2 :               0.00001052153853
                   -1 :               0.00002985365976
                   +0 :               0.00001419880646
                   +1 :              -0.00003230694921
                   +2 :              -0.00000971837965
              8 vec=    10.583096      3.115567     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00017774340501
                2p
                   -1 :               0.00003577994116
                   +0 :              -0.00002319526447
                   +1 :              -0.00006700433531
                3s
                   +0 :               0.00061184721426
                4s
                   +0 :              -0.00013288140995
                3p
                   -1 :              -0.00022898482827
                   +0 :               0.00006048672280
                   +1 :               0.00032722374363
                4p
                   -1 :               0.00006809295550
                   +0 :               0.00001393997217
                   +1 :              -0.00005144233932
                3d
                   -2 :              -0.00007559440928
                   -1 :              -0.00000039272064
                   +0 :              -0.00000677026275
                   +1 :               0.00001001067195
                   +2 :               0.00000555791257
              9 vec=    -4.977229     -5.868191    -13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00006785240944
                2p
                   -1 :               0.00000694535476
                   +0 :              -0.00002056614406
                   +1 :              -0.00002224624707
                3s
                   +0 :              -0.00044395305974
                4s
                   +0 :               0.00012883062890
                3p
                   -1 :               0.00016299849237
                   +0 :               0.00016652988410
                   +1 :               0.00012236345295
                4p
                   -1 :              -0.00000895000631
                   +0 :              -0.00007897966339
                   +1 :              -0.00003047685040
                3d
                   -2 :               0.00004273775737
                   -1 :              -0.00004548685453
                   +0 :               0.00000494554039
                   +1 :              -0.00003823676170
                   +2 :               0.00006029547273
             10 vec=     2.802933      7.607446    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00006224029330
                2p
                   -1 :               0.00001284029966
                   +0 :               0.00001909237281
                   +1 :              -0.00004720218299
                3s
                   +0 :              -0.00019328194793
                4s
                   +0 :               0.00003251147346
                3p
                   -1 :              -0.00018691850197
                   +0 :               0.00003551741306
                   +1 :              -0.00004026746272
                4p
                   -1 :               0.00002397435624
                   +0 :              -0.00005127676501
                   +1 :              -0.00006396113464
                3d
                   -2 :              -0.00010755209770
                   -1 :               0.00002976665322
                   +0 :               0.00000970434247
                   +1 :              -0.00004753258270
                   +2 :               0.00001174235822
             11 vec=    10.583096     -5.868191     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00020580887588
                2p
                   -1 :              -0.00003369117913
                   +0 :               0.00009550724913
                   +1 :               0.00008489347251
                3s
                   +0 :              -0.00075013059221
                4s
                   +0 :               0.00033408917388
                3p
                   -1 :               0.00012600666938
                   +0 :              -0.00040885185593
                   +1 :              -0.00045363207524
                4p
                   -1 :              -0.00004545674754
                   +0 :               0.00015740303545
                   +1 :               0.00012690659034
                3d
                   -2 :              -0.00000566280455
                   -1 :               0.00000683969519
                   +0 :              -0.00005991025724
                   +1 :              -0.00009443633696
                   +2 :              -0.00005503380542
             12 vec=   -12.757392     -1.376312     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00007078617120
                2p
                   -1 :               0.00001168002206
                   +0 :               0.00005923312419
                   +1 :              -0.00002740462857
                3s
                   +0 :              -0.00031295362942
                4s
                   +0 :               0.00007829581309
                3p
                   -1 :              -0.00003182924132
                   +0 :              -0.00037363413135
                   +1 :               0.00022564568840
                4p
                   -1 :              -0.00000207950469
                   +0 :               0.00008419036227
                   +1 :              -0.00003393674600
                3d
                   -2 :               0.00003780853075
                   -1 :              -0.00000438967790
                   +0 :              -0.00007851902946
                   +1 :               0.00008972349327
                   +2 :              -0.00005003016301
             13 vec=    -4.977229     12.099325     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00001718723689
                2p
                   -1 :               0.00001875688730
                   +0 :              -0.00002397195995
                   +1 :              -0.00002612111945
                3s
                   +0 :               0.00012142658563
                4s
                   +0 :              -0.00001889945766
                3p
                   -1 :              -0.00012094032305
                   +0 :               0.00017401472107
                   +1 :               0.00019690886993
                4p
                   -1 :               0.00001110655115
                   +0 :              -0.00003036011381
                   +1 :              -0.00003674642437
                3d
                   -2 :               0.00009276538408
                   -1 :              -0.00001695216660
                   +0 :               0.00002384940188
                   +1 :               0.00008116379025
                   +2 :               0.00003337854624
             14 vec=     2.802933    -10.360070    -13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00000513165035
                2p
                   -1 :               0.00003133675821
                   +0 :               0.00001723320215
                   +1 :               0.00000814274221
                3s
                   +0 :              -0.00048103235008
                4s
                   +0 :               0.00000432267287
                3p
                   -1 :               0.00028652093118
                   +0 :               0.00003332358452
                   +1 :               0.00000417448063
                4p
                   -1 :               0.00002911787479
                   +0 :               0.00000905869188
                   +1 :               0.00000018703535
                3d
                   -2 :              -0.00000836786922
                   -1 :              -0.00004549755501
                   +0 :               0.00005794658665
                   +1 :               0.00000192500260
                   +2 :               0.00011796868190
             15 vec=    10.583096      3.115567    -13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00001177085058
                2p
                   -1 :               0.00000718313395
                   +0 :               0.00000232974303
                   +1 :              -0.00001878240173
                3s
                   +0 :              -0.00020314573264
                4s
                   +0 :               0.00002305550553
                3p
                   -1 :              -0.00007662105699
                   +0 :               0.00004785291258
                   +1 :              -0.00009912423207
                4p
                   -1 :               0.00001993705268
                   +0 :              -0.00001319659069
                   +1 :              -0.00000422051841
                3d
                   -2 :               0.00000327830015
                   -1 :               0.00000090596497
                   +0 :               0.00001265690813
                   +1 :               0.00001954814718
                   +2 :              -0.00002587541320
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al(  9)  npairs=  13
              1 vec=     0.209546      3.115567      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00157400906923
                2p
                   -1 :              -0.00104971503813
                   +0 :              -0.00127487692322
                   +1 :              -0.00018578341522
                3s
                   +0 :               0.00617639636479
                4s
                   +0 :              -0.00251736336979
                3p
                   -1 :               0.00096616789777
                   +0 :              -0.00040268440902
                   +1 :               0.00055389434711
                4p
                   -1 :              -0.00033024491818
                   +0 :              -0.00166510643579
                   +1 :               0.00003729081340
                3d
                   -2 :               0.00056010397749
                   -1 :              -0.00249012268392
                   +0 :              -0.00258136017903
                   +1 :              -0.00009064265451
                   +2 :               0.00320553258674
              2 vec=     0.209546     -5.868191      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00124384023135
                2p
                   -1 :              -0.00014499901482
                   +0 :               0.00012561889730
                   +1 :               0.00032693042584
                3s
                   +0 :               0.01617056316618
                4s
                   +0 :              -0.00040236407254
                3p
                   -1 :              -0.00937677166360
                   +0 :               0.00801848455028
                   +1 :              -0.00196982639813
                4p
                   -1 :              -0.00052174170126
                   +0 :               0.00060034797402
                   +1 :               0.00063947242366
                3d
                   -2 :               0.00032951858842
                   -1 :              -0.00433572967281
                   +0 :               0.00063645165535
                   +1 :              -0.00034803796979
                   +2 :              -0.00269742618060
              3 vec=    -7.570617     -1.376312      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00065173708869
                2p
                   -1 :               0.00076780752241
                   +0 :               0.00038568962201
                   +1 :               0.00020657534881
                3s
                   +0 :               0.00043295687644
                4s
                   +0 :              -0.00108342592548
                3p
                   -1 :              -0.00366181166151
                   +0 :              -0.00102412062299
                   +1 :              -0.00263382514382
                4p
                   -1 :               0.00096797458462
                   +0 :              -0.00025078706924
                   +1 :               0.00120974845314
                3d
                   -2 :               0.00081571521155
                   -1 :              -0.00031430970419
                   +0 :               0.00037946411623
                   +1 :              -0.00013985769206
                   +2 :               0.00099098463625
              4 vec=     7.989708     -1.376312      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00049126251361
                2p
                   -1 :               0.00009540098267
                   +0 :               0.00000721096576
                   +1 :              -0.00020570447779
                3s
                   +0 :               0.00251582589315
                4s
                   +0 :              -0.00090308403535
                3p
                   -1 :              -0.00042586238129
                   +0 :              -0.00031099844404
                   +1 :               0.00196662523647
                4p
                   -1 :               0.00020390596903
                   +0 :               0.00012771801890
                   +1 :              -0.00065102875713
                3d
                   -2 :               0.00002161443691
                   -1 :              -0.00012056094701
                   +0 :               0.00022589758371
                   +1 :               0.00007160041910
                   +2 :               0.00048013134283
              5 vec=    -7.570617      7.607446      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00029664193857
                2p
                   -1 :              -0.00000191627966
                   +0 :              -0.00010076678753
                   +1 :               0.00008271294861
                3s
                   +0 :               0.00060215096563
                4s
                   +0 :              -0.00004266967359
                3p
                   -1 :              -0.00050022205069
                   +0 :               0.00070813516782
                   +1 :              -0.00016554327199
                4p
                   -1 :               0.00024938470830
                   +0 :              -0.00005726016074
                   +1 :              -0.00001590327320
                3d
                   -2 :               0.00013575307408
                   -1 :               0.00001959681188
                   +0 :               0.00027507367051
                   +1 :              -0.00021424367419
                   +2 :               0.00006656313765
              6 vec=     7.989708      7.607446      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00040353458541
                2p
                   -1 :               0.00016255851443
                   +0 :               0.00015834755806
                   +1 :               0.00014072661551
                3s
                   +0 :              -0.00126057437879
                4s
                   +0 :               0.00039529613720
                3p
                   -1 :              -0.00092688284858
                   +0 :              -0.00075989275057
                   +1 :              -0.00072147985754
                4p
                   -1 :               0.00013383131101
                   +0 :               0.00023707183346
                   +1 :               0.00013605424895
                3d
                   -2 :              -0.00016434853337
                   -1 :              -0.00011617266701
                   +0 :               0.00004684032932
                   +1 :              -0.00012994859848
                   +2 :               0.00004585598097
              7 vec=     0.209546     12.099325      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00012498508368
                2p
                   -1 :               0.00000179290573
                   +0 :               0.00008372659016
                   +1 :              -0.00000147886909
                3s
                   +0 :              -0.00006230786997
                4s
                   +0 :               0.00016561868596
                3p
                   -1 :               0.00019835133799
                   +0 :              -0.00053989031921
                   +1 :              -0.00003926275643
                4p
                   -1 :               0.00000884040533
                   +0 :               0.00009813611716
                   +1 :              -0.00004745816434
                3d
                   -2 :              -0.00004379089433
                   -1 :              -0.00008355711346
                   +0 :               0.00002132428732
                   +1 :               0.00002319889127
                   +2 :              -0.00008354626773
              8 vec=    -7.570617    -10.360070      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00007687541341
                2p
                   -1 :              -0.00001390544956
                   +0 :              -0.00003266515689
                   +1 :               0.00000494492972
                3s
                   +0 :              -0.00026694808307
                4s
                   +0 :               0.00015693541525
                3p
                   -1 :               0.00007267099951
                   +0 :               0.00006403599311
                   +1 :              -0.00014116147992
                4p
                   -1 :              -0.00001186729005
                   +0 :               0.00003207624599
                   +1 :               0.00003804833879
                3d
                   -2 :               0.00008382784550
                   -1 :              -0.00000603042278
                   +0 :              -0.00005784301569
                   +1 :               0.00001554697597
                   +2 :               0.00006721177490
              9 vec=     7.989708    -10.360070      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00001113970512
                2p
                   -1 :              -0.00003755166681
                   +0 :              -0.00000056285769
                   +1 :               0.00001901807721
                3s
                   +0 :               0.00013798785962
                4s
                   +0 :              -0.00008366479716
                3p
                   -1 :               0.00032362075465
                   +0 :               0.00002996379729
                   +1 :               0.00004459632246
                4p
                   -1 :              -0.00006445285810
                   +0 :              -0.00004819017633
                   +1 :              -0.00003774059142
                3d
                   -2 :               0.00004173020413
                   -1 :              -0.00003032276442
                   +0 :               0.00000587720821
                   +1 :              -0.00000354659235
                   +2 :               0.00004397897936
             10 vec=     0.209546    -14.851949      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00008334251331
                2p
                   -1 :               0.00001550620805
                   +0 :              -0.00004139742636
                   +1 :               0.00000453967030
                3s
                   +0 :               0.00033006677127
                4s
                   +0 :              -0.00005461296372
                3p
                   -1 :              -0.00004114073031
                   +0 :               0.00021234075176
                   +1 :               0.00004826120953
                4p
                   -1 :              -0.00003185526282
                   +0 :              -0.00005034552926
                   +1 :              -0.00003298744598
                3d
                   -2 :              -0.00001633727594
                   -1 :              -0.00003543360945
                   +0 :               0.00004324228987
                   +1 :               0.00000039007372
                   +2 :              -0.00001345588236
             11 vec=   -15.350780      3.115567      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00001031488418
                2p
                   -1 :              -0.00000107883217
                   +0 :               0.00001431524161
                   +1 :              -0.00001030438178
                3s
                   +0 :              -0.00002246772580
                4s
                   +0 :               0.00004568136845
                3p
                   -1 :              -0.00003425164413
                   +0 :              -0.00010811780165
                   +1 :               0.00006972761163
                4p
                   -1 :               0.00001944526280
                   +0 :               0.00003401336109
                   +1 :              -0.00002974670496
                3d
                   -2 :               0.00001872879486
                   -1 :              -0.00001192347233
                   +0 :              -0.00002081816281
                   +1 :               0.00001557647699
                   +2 :               0.00001974845626
             12 vec=    15.769871      3.115567      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00001218063777
                2p
                   -1 :              -0.00001396421854
                   +0 :              -0.00003676889316
                   +1 :               0.00000939914556
                3s
                   +0 :               0.00009161108554
                4s
                   +0 :              -0.00000000236704
                3p
                   -1 :               0.00008653159385
                   +0 :               0.00018165092655
                   +1 :              -0.00005129489134
                4p
                   -1 :              -0.00001524967354
                   +0 :              -0.00003343153335
                   +1 :               0.00003423257800
                3d
                   -2 :               0.00002452225489
                   -1 :               0.00000823185911
                   +0 :               0.00004053104561
                   +1 :               0.00003547876643
                   +2 :              -0.00002685512365
             13 vec=   -15.350780     -5.868191      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00002685789588
                2p
                   -1 :               0.00002998149897
                   +0 :               0.00002029449229
                   +1 :               0.00000908754562
                3s
                   +0 :               0.00017249577330
                4s
                   +0 :              -0.00009839156737
                3p
                   -1 :              -0.00020279308982
                   +0 :              -0.00007416640626
                   +1 :              -0.00007918487007
                4p
                   -1 :               0.00006709879103
                   +0 :              -0.00000097731342
                   +1 :               0.00004017510142
                3d
                   -2 :               0.00003322144193
                   -1 :               0.00000894174828
                   +0 :               0.00001175340276
                   +1 :               0.00002717976346
                   +2 :               0.00000886732338
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al( 10)  npairs=  15
              1 vec=     0.209546      3.115567    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00082096826726
                2p
                   -1 :              -0.00043728895152
                   +0 :               0.00043582509320
                   +1 :              -0.00007210213182
                3s
                   +0 :               0.00094840717730
                4s
                   +0 :              -0.00031532352467
                3p
                   -1 :               0.00287067777293
                   +0 :              -0.00072448894261
                   +1 :              -0.00031972394517
                4p
                   -1 :              -0.00056429326610
                   +0 :               0.00017264857474
                   +1 :               0.00015086063941
                3d
                   -2 :              -0.00004048771335
                   -1 :              -0.00034117639992
                   +0 :              -0.00016755980985
                   +1 :               0.00002999866625
                   +2 :              -0.00020177262148
              2 vec=     0.209546     -5.868191    -10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00004395275519
                2p
                   -1 :               0.00004468806197
                   +0 :               0.00008939141942
                   +1 :              -0.00008008515745
                3s
                   +0 :              -0.00052935953391
                4s
                   +0 :               0.00013847286210
                3p
                   -1 :               0.00008521599721
                   +0 :              -0.00040326787395
                   +1 :               0.00088512794894
                4p
                   -1 :               0.00003439305962
                   +0 :              -0.00000512454175
                   +1 :              -0.00000828079641
                3d
                   -2 :              -0.00025349825018
                   -1 :               0.00024090029992
                   +0 :               0.00040891103872
                   +1 :              -0.00024103629180
                   +2 :              -0.00044905162314
              3 vec=    -7.570617     -1.376312    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00027676846736
                2p
                   -1 :               0.00014521449612
                   +0 :              -0.00002667200685
                   +1 :               0.00004429423686
                3s
                   +0 :              -0.00233775417479
                4s
                   +0 :               0.00032303470546
                3p
                   -1 :              -0.00028033309757
                   +0 :               0.00121567790974
                   +1 :               0.00092956546632
                4p
                   -1 :               0.00021269969478
                   +0 :              -0.00009087727565
                   +1 :              -0.00005552228982
                3d
                   -2 :              -0.00014213853416
                   -1 :              -0.00001756397727
                   +0 :              -0.00019217026669
                   +1 :              -0.00033556904677
                   +2 :              -0.00010612047467
              4 vec=     7.989708     -1.376312    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00023825478603
                2p
                   -1 :              -0.00001602624261
                   +0 :               0.00000779912568
                   +1 :               0.00002497763893
                3s
                   +0 :              -0.00260765230580
                4s
                   +0 :               0.00047145426757
                3p
                   -1 :               0.00075128135873
                   +0 :               0.00113153113186
                   +1 :              -0.00143649105958
                4p
                   -1 :               0.00000981268966
                   +0 :              -0.00009835755645
                   +1 :               0.00017309014440
                3d
                   -2 :               0.00033574388449
                   -1 :              -0.00030929545944
                   +0 :              -0.00025459386463
                   +1 :               0.00039255031049
                   +2 :              -0.00022264737892
              5 vec=     0.209546      3.115567     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00001586110934
                2p
                   -1 :               0.00006165197595
                   +0 :               0.00000523428204
                   +1 :              -0.00003412039464
                3s
                   +0 :               0.00033715319640
                4s
                   +0 :              -0.00005944584227
                3p
                   -1 :              -0.00040564151722
                   +0 :              -0.00002828495151
                   +1 :               0.00007977380263
                4p
                   -1 :               0.00003664333103
                   +0 :               0.00000886795983
                   +1 :               0.00000361183103
                3d
                   -2 :               0.00011417913181
                   -1 :              -0.00007820536438
                   +0 :              -0.00004194211715
                   +1 :               0.00008152291123
                   +2 :              -0.00000336485030
              6 vec=     0.209546     -5.868191     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00017405059456
                2p
                   -1 :               0.00010970799779
                   +0 :              -0.00002020808733
                   +1 :              -0.00004045740147
                3s
                   +0 :               0.00061641173376
                4s
                   +0 :              -0.00011278681895
                3p
                   -1 :              -0.00030762700063
                   +0 :               0.00003398818656
                   +1 :               0.00009820292504
                4p
                   -1 :               0.00004739399660
                   +0 :              -0.00001628302589
                   +1 :              -0.00001871880921
                3d
                   -2 :              -0.00004609803030
                   -1 :              -0.00003122299040
                   +0 :              -0.00008955237680
                   +1 :               0.00003488625899
                   +2 :              -0.00010034371960
              7 vec=    -7.570617      7.607446    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00003140393314
                2p
                   -1 :              -0.00003120656566
                   +0 :               0.00001866070966
                   +1 :              -0.00001795597526
                3s
                   +0 :              -0.00011687745291
                4s
                   +0 :              -0.00000568990299
                3p
                   -1 :               0.00014434880472
                   +0 :              -0.00018744578565
                   +1 :               0.00001090627076
                4p
                   -1 :              -0.00003520440917
                   +0 :               0.00004197311621
                   +1 :               0.00002981443884
                3d
                   -2 :              -0.00002908326955
                   -1 :              -0.00003819099020
                   +0 :              -0.00003481708755
                   +1 :               0.00003661329154
                   +2 :               0.00000708913058
              8 vec=     7.989708      7.607446    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00008646664285
                2p
                   -1 :               0.00003458618264
                   +0 :               0.00000085919691
                   +1 :              -0.00001167876838
                3s
                   +0 :              -0.00023057177659
                4s
                   +0 :              -0.00002638136946
                3p
                   -1 :              -0.00016518708522
                   +0 :              -0.00008878207914
                   +1 :               0.00010079026888
                4p
                   -1 :               0.00001669839889
                   +0 :               0.00007027209944
                   +1 :              -0.00005599958497
                3d
                   -2 :               0.00003276776011
                   -1 :               0.00000491336016
                   +0 :               0.00000747305165
                   +1 :              -0.00000525818859
                   +2 :               0.00004510380448
              9 vec=    -7.570617     -1.376312     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00003772378495
                2p
                   -1 :               0.00005526633579
                   +0 :              -0.00001046302431
                   +1 :              -0.00000704884542
                3s
                   +0 :               0.00033334060207
                4s
                   +0 :              -0.00011479357763
                3p
                   -1 :              -0.00027717976388
                   +0 :               0.00021485688020
                   +1 :              -0.00011831764421
                4p
                   -1 :               0.00006727390215
                   +0 :              -0.00009682287602
                   +1 :               0.00004365382991
                3d
                   -2 :              -0.00000169462754
                   -1 :              -0.00003405483852
                   +0 :               0.00002670880633
                   +1 :              -0.00004668860896
                   +2 :               0.00004048632960
             10 vec=     7.989708     -1.376312     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00005646308001
                2p
                   -1 :               0.00000628325403
                   +0 :               0.00002041030002
                   +1 :               0.00000769167838
                3s
                   +0 :               0.00019755248331
                4s
                   +0 :              -0.00003903263016
                3p
                   -1 :               0.00005556040310
                   +0 :               0.00003863647516
                   +1 :               0.00020594392354
                4p
                   -1 :               0.00003676639457
                   +0 :              -0.00005323225435
                   +1 :               0.00000311243251
                3d
                   -2 :               0.00003587049467
                   -1 :              -0.00000469735459
                   +0 :              -0.00000838055187
                   +1 :               0.00002502282584
                   +2 :               0.00010570355622
             11 vec=     0.209546     12.099325    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00022035848598
                2p
                   -1 :              -0.00009208535796
                   +0 :               0.00007821289858
                   +1 :              -0.00000617312124
                3s
                   +0 :               0.00072728091769
                4s
                   +0 :              -0.00033058521264
                3p
                   -1 :               0.00042879066290
                   +0 :              -0.00035471042411
                   +1 :              -0.00000694211923
                4p
                   -1 :              -0.00011624325109
                   +0 :               0.00014061164529
                   +1 :               0.00001137466305
                3d
                   -2 :               0.00001819680111
                   -1 :              -0.00005672683223
                   +0 :               0.00002598575249
                   +1 :              -0.00001086795257
                   +2 :              -0.00004494143774
             12 vec=    -7.570617    -10.360070    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00007548189631
                2p
                   -1 :               0.00003421278234
                   +0 :               0.00004202258532
                   +1 :               0.00001265815788
                3s
                   +0 :               0.00034805561276
                4s
                   +0 :              -0.00011021196086
                3p
                   -1 :              -0.00025251744501
                   +0 :              -0.00029622941754
                   +1 :              -0.00015826009562
                4p
                   -1 :               0.00004322603783
                   +0 :               0.00006715366973
                   +1 :               0.00004431616324
                3d
                   -2 :               0.00002256942275
                   -1 :               0.00007443405651
                   +0 :               0.00005140082596
                   +1 :               0.00004563316144
                   +2 :              -0.00005805936310
             13 vec=     7.989708    -10.360070    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00003524795431
                2p
                   -1 :               0.00000646878570
                   +0 :              -0.00000905863666
                   +1 :              -0.00000376422094
                3s
                   +0 :              -0.00012304890387
                4s
                   +0 :               0.00000525444920
                3p
                   -1 :              -0.00009485710668
                   +0 :               0.00004543835220
                   +1 :               0.00007116699426
                4p
                   -1 :               0.00004012545684
                   +0 :               0.00000038249451
                   +1 :              -0.00002279779620
                3d
                   -2 :              -0.00003877089015
                   -1 :               0.00001815515309
                   +0 :              -0.00001752085989
                   +1 :               0.00001766629993
                   +2 :              -0.00000258155678
             14 vec=    -7.570617      7.607446     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00002219334669
                2p
                   -1 :               0.00001224914014
                   +0 :               0.00001646825441
                   +1 :              -0.00002482673234
                3s
                   +0 :               0.00041070656318
                4s
                   +0 :               0.00001029662640
                3p
                   -1 :               0.00015181823069
                   +0 :               0.00003780314289
                   +1 :              -0.00021566417458
                4p
                   -1 :               0.00001832015464
                   +0 :              -0.00000095456897
                   +1 :              -0.00001284730544
                3d
                   -2 :              -0.00008086713129
                   -1 :               0.00001882908822
                   +0 :              -0.00005958163230
                   +1 :              -0.00000394484554
                   +2 :               0.00002190612291
             15 vec=     7.989708      7.607446     13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00004324992776
                2p
                   -1 :               0.00001646200858
                   +0 :               0.00000101769353
                   +1 :               0.00002951173791
                3s
                   +0 :               0.00007593514061
                4s
                   +0 :               0.00000535206112
                3p
                   -1 :               0.00007646284326
                   +0 :               0.00008815660236
                   +1 :              -0.00003856012378
                4p
                   -1 :               0.00000901931304
                   +0 :              -0.00003099514401
                   +1 :               0.00001257736757
                3d
                   -2 :               0.00000889541843
                   -1 :               0.00002610215687
                   +0 :              -0.00000343245179
                   +1 :              -0.00001274572145
                   +2 :              -0.00004861316284
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al( 11)  npairs=  14
              1 vec=     0.209546      3.115567      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02250422776301
                2p
                   -1 :               0.02222250249888
                   +0 :               0.00427617237142
                   +1 :               0.00037711319056
                3s
                   +0 :               0.03245098460908
                4s
                   +0 :               0.00943134816304
                3p
                   -1 :               0.05778309904129
                   +0 :              -0.01439987448551
                   +1 :               0.00719996808667
                4p
                   -1 :               0.00951836822616
                   +0 :               0.00312280192245
                   +1 :              -0.00175458934067
                3d
                   -2 :               0.00374057530339
                   -1 :               0.00144721435133
                   +0 :              -0.03073590654498
                   +1 :              -0.00081281804860
                   +2 :              -0.03732398978574
              2 vec=     0.209546     -5.868191      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00177398323786
                2p
                   -1 :               0.00145126047156
                   +0 :               0.00037134734386
                   +1 :              -0.00007794100897
                3s
                   +0 :               0.00373047903841
                4s
                   +0 :              -0.00361254568621
                3p
                   -1 :              -0.00571943835213
                   +0 :               0.00135272015373
                   +1 :              -0.00258147376809
                4p
                   -1 :               0.00204934891950
                   +0 :               0.00052535922516
                   +1 :               0.00050974908907
                3d
                   -2 :               0.00091784461530
                   -1 :              -0.00169086074401
                   +0 :               0.00016649365855
                   +1 :               0.00008531233664
                   +2 :              -0.00253164662207
              3 vec=    -7.570617     -1.376312      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00017666765571
                2p
                   -1 :              -0.00076681335508
                   +0 :              -0.00021270087368
                   +1 :               0.00010140046856
                3s
                   +0 :              -0.00584350092368
                4s
                   +0 :               0.00092408668236
                3p
                   -1 :               0.00632331983365
                   +0 :               0.00144953508107
                   +1 :               0.00515068203219
                4p
                   -1 :              -0.00112619738262
                   +0 :              -0.00105642949668
                   +1 :              -0.00028931195137
                3d
                   -2 :              -0.00214765088069
                   -1 :               0.00063752011795
                   +0 :               0.00115560316466
                   +1 :               0.00051517011514
                   +2 :              -0.00018200567229
              4 vec=     7.989708     -1.376312      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00049745341821
                2p
                   -1 :              -0.00038704495559
                   +0 :               0.00021482635614
                   +1 :              -0.00088837532646
                3s
                   +0 :               0.00212176866845
                4s
                   +0 :              -0.00080931080103
                3p
                   -1 :               0.00232800818276
                   +0 :              -0.00096956742708
                   +1 :               0.00372128758680
                4p
                   -1 :              -0.00074609871623
                   +0 :               0.00024829415798
                   +1 :              -0.00120376566481
                3d
                   -2 :               0.00038635444942
                   -1 :               0.00078477743788
                   +0 :               0.00003048149801
                   +1 :               0.00019390522212
                   +2 :               0.00074071019397
              5 vec=    -7.570617      7.607446      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00011884869420
                2p
                   -1 :               0.00003073440846
                   +0 :               0.00009172121966
                   +1 :               0.00003985037668
                3s
                   +0 :               0.00051933265982
                4s
                   +0 :              -0.00008265957559
                3p
                   -1 :               0.00026066185162
                   +0 :              -0.00128100403167
                   +1 :              -0.00108502608417
                4p
                   -1 :              -0.00015071946571
                   +0 :               0.00016881691688
                   +1 :               0.00030506059679
                3d
                   -2 :              -0.00009443401904
                   -1 :              -0.00028839030382
                   +0 :               0.00017401421181
                   +1 :               0.00015354100864
                   +2 :               0.00012356978887
              6 vec=     7.989708      7.607446      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00000380581700
                2p
                   -1 :               0.00002331524467
                   +0 :               0.00000251335745
                   +1 :              -0.00005187620674
                3s
                   +0 :               0.00113320613446
                4s
                   +0 :              -0.00035416086939
                3p
                   -1 :               0.00030975561179
                   +0 :              -0.00062275903415
                   +1 :               0.00084124243151
                4p
                   -1 :              -0.00014176389799
                   +0 :               0.00008983393138
                   +1 :              -0.00022628486552
                3d
                   -2 :              -0.00000898314548
                   -1 :              -0.00001279384087
                   +0 :               0.00027057127046
                   +1 :              -0.00027723592651
                   +2 :               0.00026311671224
              7 vec=     0.209546     12.099325      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00017265716033
                2p
                   -1 :              -0.00008732940128
                   +0 :              -0.00022484858677
                   +1 :              -0.00008746172673
                3s
                   +0 :               0.00044562583276
                4s
                   +0 :               0.00003914799587
                3p
                   -1 :               0.00038153261759
                   +0 :               0.00103737701281
                   +1 :               0.00045352747128
                4p
                   -1 :               0.00001750662628
                   +0 :              -0.00025231749339
                   +1 :              -0.00006544644165
                3d
                   -2 :               0.00009036134819
                   -1 :               0.00010836254604
                   +0 :               0.00006399419805
                   +1 :               0.00006102662320
                   +2 :              -0.00005860956307
              8 vec=    -7.570617    -10.360070      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00004789090653
                2p
                   -1 :               0.00005483390237
                   +0 :               0.00020972766495
                   +1 :              -0.00019518530242
                3s
                   +0 :               0.00040185738098
                4s
                   +0 :              -0.00025625927303
                3p
                   -1 :              -0.00034887519915
                   +0 :              -0.00090433970270
                   +1 :               0.00089105543494
                4p
                   -1 :               0.00016128252675
                   +0 :               0.00021781256629
                   +1 :              -0.00018440430726
                3d
                   -2 :              -0.00029144971008
                   -1 :               0.00017723573319
                   +0 :               0.00010329211763
                   +1 :               0.00008750279760
                   +2 :              -0.00008197472096
              9 vec=     7.989708    -10.360070      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00021125776895
                2p
                   -1 :              -0.00004671970359
                   +0 :               0.00001006448857
                   +1 :               0.00014671781685
                3s
                   +0 :              -0.00048299915132
                4s
                   +0 :               0.00024125896632
                3p
                   -1 :               0.00017851493609
                   +0 :               0.00026029325587
                   +1 :              -0.00058687283306
                4p
                   -1 :              -0.00002186651426
                   +0 :              -0.00004894475736
                   +1 :               0.00017258878301
                3d
                   -2 :               0.00006116509580
                   -1 :               0.00004644273006
                   +0 :               0.00009148807015
                   +1 :              -0.00000006283270
                   +2 :              -0.00005159735683
             10 vec=     0.209546    -14.851949      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00004518302943
                2p
                   -1 :              -0.00000383968270
                   +0 :               0.00001913151493
                   +1 :               0.00001186258841
                3s
                   +0 :              -0.00017425116729
                4s
                   +0 :               0.00007773331106
                3p
                   -1 :               0.00012736994858
                   +0 :               0.00002199032445
                   +1 :              -0.00011378958337
                4p
                   -1 :              -0.00005134801305
                   +0 :              -0.00001311600668
                   +1 :               0.00004918500376
                3d
                   -2 :               0.00005583761442
                   -1 :              -0.00005765398542
                   +0 :               0.00005884508792
                   +1 :               0.00000060720926
                   +2 :               0.00000556201626
             11 vec=   -15.350780      3.115567      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00001253975221
                2p
                   -1 :               0.00003378017716
                   +0 :              -0.00001007850897
                   +1 :               0.00000544195889
                3s
                   +0 :               0.00005718531290
                4s
                   +0 :              -0.00003540029072
                3p
                   -1 :              -0.00018505024947
                   +0 :              -0.00005813856259
                   +1 :              -0.00003371842137
                4p
                   -1 :               0.00007003729893
                   +0 :               0.00004799343335
                   +1 :               0.00002416414228
                3d
                   -2 :               0.00001808613394
                   -1 :               0.00001004168976
                   +0 :               0.00000190993898
                   +1 :               0.00001329995616
                   +2 :              -0.00005314541428
             12 vec=    15.769871      3.115567      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00001112388153
                2p
                   -1 :              -0.00000527059232
                   +0 :               0.00001287338550
                   +1 :               0.00000440845861
                3s
                   +0 :               0.00008957716421
                4s
                   +0 :              -0.00002505199133
                3p
                   -1 :               0.00007464711768
                   +0 :              -0.00009082552605
                   +1 :               0.00000113151348
                4p
                   -1 :              -0.00001646157287
                   +0 :               0.00000409891205
                   +1 :              -0.00000210043145
                3d
                   -2 :               0.00001702961640
                   -1 :              -0.00000385412447
                   +0 :               0.00003792089578
                   +1 :              -0.00001816043156
                   +2 :               0.00000906352773
             13 vec=   -15.350780     -5.868191      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00002012687747
                2p
                   -1 :              -0.00001945746106
                   +0 :               0.00000314974817
                   +1 :              -0.00001642144373
                3s
                   +0 :              -0.00017688342545
                4s
                   +0 :               0.00011649099089
                3p
                   -1 :               0.00010144112954
                   +0 :              -0.00001129069119
                   +1 :               0.00019718172712
                4p
                   -1 :              -0.00002119027569
                   +0 :               0.00000001705004
                   +1 :              -0.00009334211780
                3d
                   -2 :              -0.00002896807916
                   -1 :              -0.00001063786671
                   +0 :              -0.00002257776572
                   +1 :               0.00001125729177
                   +2 :              -0.00002017330134
             14 vec=    15.769871     -5.868191      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00002340133476
                2p
                   -1 :               0.00000478161864
                   +0 :               0.00001208370907
                   +1 :               0.00002798782390
                3s
                   +0 :               0.00014051455305
                4s
                   +0 :              -0.00005145435565
                3p
                   -1 :              -0.00005253589882
                   +0 :              -0.00004634610428
                   +1 :              -0.00011486555596
                4p
                   -1 :               0.00002379156263
                   +0 :               0.00000535221032
                   +1 :               0.00002283130536
                3d
                   -2 :               0.00002546754549
                   -1 :              -0.00002264792469
                   +0 :               0.00001958287148
                   +1 :              -0.00001240744597
                   +2 :              -0.00002983303469
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site Al( 12)  npairs=  14
              1 vec=     0.209546      3.115567     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00463998842220
                2p
                   -1 :               0.00225293153885
                   +0 :              -0.00285550745063
                   +1 :               0.00039956548641
                3s
                   +0 :              -0.01173231381306
                4s
                   +0 :               0.00752865184744
                3p
                   -1 :              -0.00776853161481
                   +0 :               0.01203125696364
                   +1 :              -0.00067714645768
                4p
                   -1 :               0.00392924517718
                   +0 :              -0.00557063035074
                   +1 :               0.00017435528235
                3d
                   -2 :               0.00055615073431
                   -1 :               0.00093075028408
                   +0 :              -0.00206249700026
                   +1 :              -0.00003820628639
                   +2 :              -0.00138543880772
              2 vec=     0.209546     -5.868191     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00134290995192
                2p
                   -1 :               0.00124197221413
                   +0 :               0.00048628182240
                   +1 :              -0.00020538064844
                3s
                   +0 :              -0.00983434963633
                4s
                   +0 :              -0.00150293539146
                3p
                   -1 :               0.00679766628721
                   +0 :               0.00034339997430
                   +1 :               0.00461701464832
                4p
                   -1 :               0.00152919186182
                   +0 :               0.00039813053799
                   +1 :              -0.00111665114442
                3d
                   -2 :              -0.00150791092650
                   -1 :              -0.00053227386725
                   +0 :               0.00213286125583
                   +1 :              -0.00043491422912
                   +2 :               0.00322657570213
              3 vec=    -7.570617     -1.376312     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00045702144625
                2p
                   -1 :              -0.00100061917677
                   +0 :               0.00011288138716
                   +1 :              -0.00039039486628
                3s
                   +0 :               0.00075709932461
                4s
                   +0 :              -0.00017068992090
                3p
                   -1 :               0.00463942421844
                   +0 :              -0.00062997348633
                   +1 :               0.00152867610056
                4p
                   -1 :              -0.00098956822007
                   +0 :               0.00025649612595
                   +1 :              -0.00036442519847
                3d
                   -2 :              -0.00034357065901
                   -1 :              -0.00070155208113
                   +0 :              -0.00018707296039
                   +1 :              -0.00062302035490
                   +2 :              -0.00099197587679
              4 vec=     7.989708     -1.376312     -5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00004839948428
                2p
                   -1 :               0.00001425860851
                   +0 :              -0.00036618012671
                   +1 :              -0.00031948374260
                3s
                   +0 :              -0.00001685294636
                4s
                   +0 :              -0.00017204715118
                3p
                   -1 :               0.00005860102380
                   +0 :               0.00231028053973
                   +1 :               0.00152366248217
                4p
                   -1 :               0.00016981881686
                   +0 :              -0.00063281862705
                   +1 :              -0.00071303537315
                3d
                   -2 :               0.00043194750282
                   -1 :              -0.00007675811622
                   +0 :              -0.00021995519571
                   +1 :               0.00040998624637
                   +2 :               0.00009350845728
              5 vec=    -7.570617      7.607446     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00038298481547
                2p
                   -1 :              -0.00004197668718
                   +0 :               0.00015293160268
                   +1 :               0.00026128552977
                3s
                   +0 :               0.00067236180053
                4s
                   +0 :              -0.00039328946993
                3p
                   -1 :               0.00045864320339
                   +0 :               0.00002964049782
                   +1 :              -0.00091868263732
                4p
                   -1 :              -0.00008330383109
                   +0 :               0.00011684755319
                   +1 :               0.00032056035653
                3d
                   -2 :              -0.00013191434957
                   -1 :              -0.00001967403315
                   +0 :              -0.00025359717396
                   +1 :              -0.00005434729492
                   +2 :              -0.00003729277450
              6 vec=     7.989708      7.607446     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00049317642476
                2p
                   -1 :              -0.00013745006286
                   +0 :               0.00018661965628
                   +1 :              -0.00026357364829
                3s
                   +0 :               0.00131970151499
                4s
                   +0 :              -0.00026125405767
                3p
                   -1 :               0.00073166136185
                   +0 :              -0.00068805255305
                   +1 :               0.00115775054950
                4p
                   -1 :               0.00000132252222
                   +0 :               0.00013707644835
                   +1 :              -0.00020979441311
                3d
                   -2 :               0.00038608735647
                   -1 :              -0.00029285769343
                   +0 :              -0.00011090498893
                   +1 :              -0.00032982581788
                   +2 :               0.00009514016953
              7 vec=     0.209546     12.099325     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00017705552842
                2p
                   -1 :               0.00011706437726
                   +0 :              -0.00002285398848
                   +1 :              -0.00008631953227
                3s
                   +0 :              -0.00093303600367
                4s
                   +0 :               0.00022802960623
                3p
                   -1 :              -0.00073487240967
                   +0 :              -0.00002338120763
                   +1 :               0.00041690187786
                4p
                   -1 :               0.00016921914397
                   +0 :               0.00006866001506
                   +1 :              -0.00008807742260
                3d
                   -2 :               0.00019237249186
                   -1 :               0.00003547384872
                   +0 :              -0.00002940904131
                   +1 :              -0.00004702087122
                   +2 :               0.00006503440742
              8 vec=    -7.570617    -10.360070     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00042334631950
                2p
                   -1 :               0.00030779497303
                   +0 :               0.00005200336372
                   +1 :              -0.00003190026973
                3s
                   +0 :               0.00105644827857
                4s
                   +0 :              -0.00022386858929
                3p
                   -1 :              -0.00117507631506
                   +0 :              -0.00022393472190
                   +1 :               0.00031487647448
                4p
                   -1 :               0.00015444757606
                   +0 :               0.00005501513699
                   +1 :              -0.00013137155193
                3d
                   -2 :               0.00004294201772
                   -1 :               0.00017979079650
                   +0 :              -0.00009852386928
                   +1 :              -0.00000397873794
                   +2 :              -0.00024784666559
              9 vec=     7.989708    -10.360070     -5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00000784488002
                2p
                   -1 :              -0.00000569628135
                   +0 :               0.00001545459199
                   +1 :               0.00006810076083
                3s
                   +0 :               0.00005181138790
                4s
                   +0 :              -0.00009159844711
                3p
                   -1 :              -0.00006294849916
                   +0 :              -0.00022476493121
                   +1 :              -0.00034889947062
                4p
                   -1 :               0.00003978472044
                   +0 :               0.00007451730072
                   +1 :               0.00002419730618
                3d
                   -2 :               0.00013404383794
                   -1 :               0.00001322532321
                   +0 :              -0.00001668205470
                   +1 :               0.00005537740982
                   +2 :               0.00001279507070
             10 vec=     0.209546    -14.851949     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00007872503338
                2p
                   -1 :               0.00001576956055
                   +0 :              -0.00000155017857
                   +1 :              -0.00000830129150
                3s
                   +0 :               0.00019918032157
                4s
                   +0 :              -0.00005384742761
                3p
                   -1 :              -0.00004902102277
                   +0 :               0.00000714165063
                   +1 :              -0.00003274768295
                4p
                   -1 :               0.00000317911005
                   +0 :              -0.00002009118722
                   +1 :               0.00001484149016
                3d
                   -2 :               0.00001648737110
                   -1 :               0.00002999280698
                   +0 :               0.00002373666257
                   +1 :               0.00001649047195
                   +2 :              -0.00001175647976
             11 vec=   -15.350780      3.115567     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00004960099143
                2p
                   -1 :               0.00002072868388
                   +0 :              -0.00000022251026
                   +1 :               0.00001434135284
                3s
                   +0 :              -0.00026673822715
                4s
                   +0 :               0.00003828875775
                3p
                   -1 :              -0.00020547991972
                   +0 :               0.00008704471660
                   +1 :              -0.00003592362676
                4p
                   -1 :               0.00004341018363
                   +0 :              -0.00001270980119
                   +1 :               0.00002967513420
                3d
                   -2 :               0.00001966040655
                   -1 :               0.00006806357872
                   +0 :              -0.00000777597115
                   +1 :              -0.00000445399418
                   +2 :               0.00004416237191
             12 vec=    15.769871      3.115567     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00003423388710
                2p
                   -1 :              -0.00002128765508
                   +0 :               0.00000955199465
                   +1 :              -0.00004469559519
                3s
                   +0 :               0.00000715234308
                4s
                   +0 :              -0.00005655867213
                3p
                   -1 :               0.00001857986438
                   +0 :               0.00005486418367
                   +1 :               0.00017361904299
                4p
                   -1 :              -0.00001376524149
                   +0 :              -0.00000441135071
                   +1 :              -0.00006416613763
                3d
                   -2 :               0.00001070226610
                   -1 :               0.00000483734441
                   +0 :              -0.00002791075204
                   +1 :              -0.00000925846163
                   +2 :               0.00004966186105
             13 vec=   -15.350780     -5.868191     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00000163523089
                2p
                   -1 :              -0.00002547837576
                   +0 :               0.00000320964779
                   +1 :              -0.00001881580601
                3s
                   +0 :              -0.00009175109206
                4s
                   +0 :               0.00006639692289
                3p
                   -1 :               0.00016877347089
                   +0 :               0.00004364989252
                   +1 :               0.00015564496389
                4p
                   -1 :              -0.00005290288532
                   +0 :              -0.00003144928125
                   +1 :              -0.00007240945927
                3d
                   -2 :              -0.00005427613580
                   -1 :              -0.00001293116473
                   +0 :              -0.00002740065156
                   +1 :              -0.00001497926050
                   +2 :               0.00000892784014
             14 vec=    15.769871     -5.868191     -5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00001185898206
                2p
                   -1 :               0.00001920820940
                   +0 :              -0.00000016654069
                   +1 :              -0.00001690597997
                3s
                   +0 :               0.00004062347815
                4s
                   +0 :              -0.00003267766693
                3p
                   -1 :              -0.00010646919862
                   +0 :              -0.00001970131711
                   +1 :               0.00008225356678
                4p
                   -1 :               0.00004014004251
                   +0 :               0.00001311035084
                   +1 :              -0.00002449700544
                3d
                   -2 :              -0.00001374054477
                   -1 :               0.00000503046743
                   +0 :              -0.00000182329966
                   +1 :              -0.00001981508589
                   +2 :               0.00000919696645
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 13)  npairs=  14
              1 vec=     0.000000     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005138801614
                2s
                   +0 :              -0.00021207761047
                3s
                   +0 :              -0.00017267468485
                2p
                   -1 :              -0.00063381635126
                   +0 :               0.00015340316473
                   +1 :               0.00052069785586
                3p
                   -1 :               0.00031525041030
                   +0 :              -0.00008495185647
                   +1 :              -0.00036184805634
                3d
                   -2 :               0.00004832285470
                   -1 :               0.00000273953096
                   +0 :               0.00002551597276
                   +1 :               0.00000335389339
                   +2 :              -0.00001898878758
              2 vec=     0.000000     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005107437224
                2s
                   +0 :               0.00007354071202
                3s
                   +0 :               0.00028963687950
                2p
                   -1 :               0.00057024499214
                   +0 :              -0.00053940464173
                   +1 :               0.00018193382563
                3p
                   -1 :              -0.00054960094073
                   +0 :               0.00054584355339
                   +1 :              -0.00015377455882
                3d
                   -2 :              -0.00000330644537
                   -1 :              -0.00003668968626
                   +0 :              -0.00000075581771
                   +1 :               0.00001992314219
                   +2 :               0.00000356390720
              3 vec=     0.000000      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011310567663
                2s
                   +0 :              -0.00142879227262
                3s
                   +0 :               0.00011187043363
                2p
                   -1 :              -0.00082102932909
                   +0 :               0.00120835647869
                   +1 :              -0.00017565349636
                3p
                   -1 :               0.00041671621026
                   +0 :              -0.00001993595634
                   +1 :               0.00007963687291
                3d
                   -2 :              -0.00003041308382
                   -1 :               0.00000830329675
                   +0 :              -0.00007664525200
                   +1 :               0.00002344608119
                   +2 :              -0.00001660200153
              4 vec=     0.000000      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00013607119614
                2s
                   +0 :               0.00162267250503
                3s
                   +0 :              -0.00019574717281
                2p
                   -1 :               0.00013316783434
                   +0 :               0.00087408774895
                   +1 :               0.00003083744698
                3p
                   -1 :               0.00005531698806
                   +0 :              -0.00006379943753
                   +1 :               0.00015415917382
                3d
                   -2 :               0.00001833470794
                   -1 :               0.00001481606050
                   +0 :               0.00001586454799
                   +1 :               0.00004852008136
                   +2 :               0.00001634599827
              5 vec=    -7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002727460722
                2s
                   +0 :              -0.00035740924169
                3s
                   +0 :               0.00011086636918
                2p
                   -1 :              -0.00023565024882
                   +0 :               0.00034948443781
                   +1 :               0.00012650549848
                3p
                   -1 :              -0.00004110753055
                   +0 :              -0.00020735676778
                   +1 :               0.00000360355532
                3d
                   -2 :               0.00000193250429
                   -1 :               0.00002181394544
                   +0 :               0.00002264517169
                   +1 :              -0.00000866081161
                   +2 :               0.00000666580377
              6 vec=    -7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00007290521981
                2s
                   +0 :               0.00076869345736
                3s
                   +0 :              -0.00009646399767
                2p
                   -1 :               0.00022597026800
                   +0 :               0.00005165524351
                   +1 :              -0.00017943434338
                3p
                   -1 :              -0.00005306665070
                   +0 :               0.00020198148165
                   +1 :              -0.00004201199367
                3d
                   -2 :              -0.00001183108991
                   -1 :               0.00002535399032
                   +0 :               0.00001880648107
                   +1 :              -0.00001151813556
                   +2 :              -0.00000929723458
              7 vec=     7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00006869926512
                2s
                   +0 :              -0.00078900404641
                3s
                   +0 :               0.00013263975498
                2p
                   -1 :              -0.00055565259021
                   +0 :               0.00042606342489
                   +1 :              -0.00017840037586
                3p
                   -1 :               0.00015268049767
                   +0 :              -0.00013541294486
                   +1 :               0.00000878803031
                3d
                   -2 :              -0.00000866354086
                   -1 :               0.00001460148154
                   +0 :              -0.00000160332267
                   +1 :               0.00000865022750
                   +2 :               0.00000208858124
              8 vec=     7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004605727952
                2s
                   +0 :               0.00037722371042
                3s
                   +0 :              -0.00007264370751
                2p
                   -1 :              -0.00009047240386
                   +0 :               0.00016743175292
                   +1 :               0.00003470365256
                3p
                   -1 :               0.00025769266517
                   +0 :              -0.00001721270437
                   +1 :               0.00002801291428
                3d
                   -2 :               0.00003580193259
                   -1 :               0.00003847241873
                   +0 :               0.00000120306812
                   +1 :              -0.00001015055604
                   +2 :              -0.00002143886956
              9 vec=    -7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000690631493
                2s
                   +0 :              -0.00005322783094
                3s
                   +0 :              -0.00000350611813
                2p
                   -1 :               0.00013955794881
                   +0 :              -0.00005963009216
                   +1 :              -0.00008201320619
                3p
                   -1 :              -0.00005454293528
                   +0 :               0.00009914697307
                   +1 :               0.00010285192867
                3d
                   -2 :              -0.00000747802321
                   -1 :              -0.00000629762040
                   +0 :              -0.00002207609755
                   +1 :              -0.00000311384089
                   +2 :               0.00001430622692
             10 vec=    -7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000794745725
                2s
                   +0 :               0.00013352201165
                3s
                   +0 :              -0.00002802734831
                2p
                   -1 :              -0.00009501911989
                   +0 :               0.00014145825496
                   +1 :              -0.00008415592805
                3p
                   -1 :               0.00003366849820
                   +0 :              -0.00005522076504
                   +1 :               0.00004939072833
                3d
                   -2 :               0.00000221827020
                   -1 :              -0.00000319993090
                   +0 :               0.00000165987637
                   +1 :               0.00000021033274
                   +2 :               0.00000499740304
             11 vec=     7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000074905450
                2s
                   +0 :              -0.00005588268249
                3s
                   +0 :              -0.00000822986059
                2p
                   -1 :               0.00004471553159
                   +0 :               0.00006508429377
                   +1 :              -0.00012988920407
                3p
                   -1 :               0.00000662672068
                   +0 :              -0.00004247381718
                   +1 :               0.00003510180554
                3d
                   -2 :               0.00000219524887
                   -1 :              -0.00000026539618
                   +0 :               0.00000245249648
                   +1 :              -0.00000905713435
                   +2 :               0.00000002702501
             12 vec=     7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00005612941392
                2s
                   +0 :              -0.00042751309163
                3s
                   +0 :               0.00014182459659
                2p
                   -1 :              -0.00011152803442
                   +0 :              -0.00043994931671
                   +1 :              -0.00008055966129
                3p
                   -1 :               0.00000752558352
                   +0 :               0.00015869246513
                   +1 :               0.00000303918418
                3d
                   -2 :               0.00000008711301
                   -1 :              -0.00000251092356
                   +0 :              -0.00001561561958
                   +1 :              -0.00001363613825
                   +2 :              -0.00000646919345
             13 vec=     0.000000    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000167880122
                2s
                   +0 :              -0.00004299897007
                3s
                   +0 :              -0.00004000460286
                2p
                   -1 :               0.00004664119911
                   +0 :              -0.00009864524308
                   +1 :               0.00007913805524
                3p
                   -1 :               0.00006577825678
                   +0 :               0.00006632470935
                   +1 :              -0.00003409503678
                3d
                   -2 :               0.00000000848881
                   -1 :              -0.00000979214206
                   +0 :              -0.00000378218070
                   +1 :              -0.00000001135540
                   +2 :               0.00000955217236
             14 vec=     0.000000    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001420622102
                2s
                   +0 :               0.00015978566879
                3s
                   +0 :              -0.00005470743582
                2p
                   -1 :              -0.00012909635510
                   +0 :              -0.00000790099866
                   +1 :               0.00007284293480
                3p
                   -1 :               0.00004342482765
                   +0 :              -0.00001978321550
                   +1 :              -0.00006624700586
                3d
                   -2 :               0.00000640501242
                   -1 :               0.00001162357996
                   +0 :              -0.00000834079322
                   +1 :              -0.00000954186979
                   +2 :              -0.00000668183702
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 14)  npairs=  18
              1 vec=     3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00007003262174
                2s
                   +0 :               0.00015738000483
                3s
                   +0 :              -0.00020938305970
                2p
                   -1 :               0.00028571957446
                   +0 :               0.00004362875658
                   +1 :               0.00046368858177
                3p
                   -1 :              -0.00027845034252
                   +0 :               0.00000343475605
                   +1 :              -0.00036849000730
                3d
                   -2 :              -0.00000548748313
                   -1 :              -0.00000745592904
                   +0 :               0.00001950432715
                   +1 :               0.00002933632636
                   +2 :              -0.00004400204646
              2 vec=     3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00004930699289
                2s
                   +0 :               0.00004858177111
                3s
                   +0 :               0.00021269927199
                2p
                   -1 :              -0.00021116487709
                   +0 :               0.00010122262216
                   +1 :              -0.00040183102978
                3p
                   -1 :               0.00014436640523
                   +0 :               0.00001838689651
                   +1 :               0.00035432059313
                3d
                   -2 :               0.00001972605952
                   -1 :               0.00003481510030
                   +0 :               0.00000395060304
                   +1 :               0.00001747354208
                   +2 :              -0.00002067224699
              3 vec=    -4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00009371620971
                2s
                   +0 :              -0.00123530933475
                3s
                   +0 :               0.00013647655660
                2p
                   -1 :               0.00001564382991
                   +0 :               0.00093570993441
                   +1 :              -0.00011888458716
                3p
                   -1 :               0.00000267677094
                   +0 :              -0.00003355489833
                   +1 :               0.00018721518636
                3d
                   -2 :               0.00002141659049
                   -1 :               0.00001027326753
                   +0 :              -0.00000000955505
                   +1 :              -0.00002965146239
                   +2 :               0.00002829366680
              4 vec=    -4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00010429068627
                2s
                   +0 :               0.00120316390848
                3s
                   +0 :              -0.00026583710990
                2p
                   -1 :               0.00012066018496
                   +0 :               0.00060941802295
                   +1 :              -0.00029009233553
                3p
                   -1 :              -0.00008788399370
                   +0 :              -0.00008303688002
                   +1 :               0.00019916514565
                3d
                   -2 :              -0.00006794754937
                   -1 :               0.00002004960022
                   +0 :              -0.00000459006059
                   +1 :               0.00006372621423
                   +2 :              -0.00002581326429
              5 vec=    -4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005817972889
                2s
                   +0 :              -0.00060909879200
                3s
                   +0 :               0.00011978688833
                2p
                   -1 :               0.00017259285352
                   +0 :               0.00028081521215
                   +1 :               0.00051017981333
                3p
                   -1 :              -0.00015046596239
                   +0 :              -0.00006045995865
                   +1 :              -0.00009885339402
                3d
                   -2 :               0.00001439054012
                   -1 :               0.00001496379670
                   +0 :               0.00001437171217
                   +1 :              -0.00001936271740
                   +2 :              -0.00001860921028
              6 vec=    -4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00011130659697
                2s
                   +0 :               0.00153663138334
                3s
                   +0 :              -0.00016831783605
                2p
                   -1 :               0.00021664416663
                   +0 :               0.00089637638440
                   +1 :              -0.00072474501043
                3p
                   -1 :              -0.00005111480279
                   +0 :              -0.00015237479779
                   +1 :               0.00013928138148
                3d
                   -2 :              -0.00001527141772
                   -1 :              -0.00000518153544
                   +0 :               0.00001628830204
                   +1 :              -0.00003003925085
                   +2 :               0.00001165425313
              7 vec=     3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00010097935475
                2s
                   +0 :              -0.00154495591557
                3s
                   +0 :               0.00016509032573
                2p
                   -1 :               0.00075273559818
                   +0 :               0.00109672523299
                   +1 :               0.00004684370479
                3p
                   -1 :              -0.00005302843455
                   +0 :              -0.00015614133709
                   +1 :               0.00007303818181
                3d
                   -2 :              -0.00001826462514
                   -1 :              -0.00004455711028
                   +0 :              -0.00002069183737
                   +1 :              -0.00001240426643
                   +2 :               0.00004417027781
              8 vec=     3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00006833354923
                2s
                   +0 :               0.00068913024514
                3s
                   +0 :              -0.00014476662334
                2p
                   -1 :              -0.00029210777245
                   +0 :               0.00031375495426
                   +1 :              -0.00037161080578
                3p
                   -1 :              -0.00002174250050
                   +0 :              -0.00005533088950
                   +1 :               0.00015745964711
                3d
                   -2 :               0.00000203041487
                   -1 :              -0.00002056396341
                   +0 :              -0.00000872606106
                   +1 :              -0.00000751095115
                   +2 :              -0.00001393389182
              9 vec=     3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000049016384
                2s
                   +0 :              -0.00003849853428
                3s
                   +0 :              -0.00000531247799
                2p
                   -1 :              -0.00004304203180
                   +0 :               0.00005640530217
                   +1 :               0.00016311228976
                3p
                   -1 :              -0.00002980545412
                   +0 :              -0.00001793388533
                   +1 :              -0.00018573421078
                3d
                   -2 :              -0.00001088647417
                   -1 :              -0.00000261945093
                   +0 :               0.00000202958874
                   +1 :               0.00001208142983
                   +2 :               0.00000527372073
             10 vec=     3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001606937606
                2s
                   +0 :               0.00015472319638
                3s
                   +0 :              -0.00004811948309
                2p
                   -1 :               0.00013509128893
                   +0 :               0.00005315849092
                   +1 :               0.00005375811321
                3p
                   -1 :              -0.00001695728912
                   +0 :               0.00000732299443
                   +1 :              -0.00001702294617
                3d
                   -2 :              -0.00000179256237
                   -1 :              -0.00000635466582
                   +0 :               0.00000418239361
                   +1 :               0.00000172479885
                   +2 :               0.00000057605247
             11 vec=    10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001447602733
                2s
                   +0 :              -0.00011781294901
                3s
                   +0 :               0.00005585980495
                2p
                   -1 :               0.00001376060021
                   +0 :               0.00004555529443
                   +1 :              -0.00013349942247
                3p
                   -1 :               0.00000379204867
                   +0 :              -0.00002306439481
                   +1 :              -0.00000870493768
                3d
                   -2 :               0.00000035212985
                   -1 :               0.00000313701007
                   +0 :              -0.00000006961926
                   +1 :              -0.00000284214515
                   +2 :               0.00000247904063
             12 vec=    10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000012091920
                2s
                   +0 :               0.00004271735391
                3s
                   +0 :               0.00001544984193
                2p
                   -1 :              -0.00013039444134
                   +0 :              -0.00002047703983
                   +1 :              -0.00002877573773
                3p
                   -1 :               0.00009752012795
                   +0 :               0.00005643440934
                   +1 :               0.00010677484102
                3d
                   -2 :               0.00000047727229
                   -1 :               0.00001253959077
                   +0 :               0.00000320281010
                   +1 :               0.00000719675229
                   +2 :               0.00001290679639
             13 vec=    10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001747582370
                2s
                   +0 :              -0.00014642909564
                3s
                   +0 :               0.00005010168265
                2p
                   -1 :              -0.00004866505208
                   +0 :               0.00010744477279
                   +1 :              -0.00016256060660
                3p
                   -1 :              -0.00001845259168
                   +0 :              -0.00005292793840
                   +1 :               0.00006897529181
                3d
                   -2 :              -0.00000432662193
                   -1 :              -0.00000076000309
                   +0 :              -0.00000026406864
                   +1 :              -0.00000542710439
                   +2 :               0.00000513120677
             14 vec=    10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00003257665592
                2s
                   +0 :               0.00025140064042
                3s
                   +0 :              -0.00008889987445
                2p
                   -1 :               0.00014462977131
                   +0 :               0.00006866808765
                   +1 :               0.00015578449291
                3p
                   -1 :              -0.00009307417246
                   +0 :              -0.00005415230363
                   +1 :              -0.00005062407053
                3d
                   -2 :              -0.00000568739564
                   -1 :              -0.00000712993285
                   +0 :              -0.00000098324976
                   +1 :              -0.00000208668100
                   +2 :               0.00000663835115
             15 vec=   -12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000952024389
                2s
                   +0 :              -0.00009657365639
                3s
                   +0 :               0.00003536826556
                2p
                   -1 :              -0.00005842097484
                   +0 :              -0.00001342687600
                   +1 :               0.00004218712423
                3p
                   -1 :               0.00007993709387
                   +0 :              -0.00000218647388
                   +1 :              -0.00002524854965
                3d
                   -2 :              -0.00000973268408
                   -1 :              -0.00000572742657
                   +0 :              -0.00000394726659
                   +1 :               0.00000803794659
                   +2 :               0.00000431487442
             16 vec=   -12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000707461646
                2s
                   +0 :               0.00002629826143
                3s
                   +0 :              -0.00000536219065
                2p
                   -1 :               0.00002203332723
                   +0 :              -0.00011636443132
                   +1 :              -0.00004103030274
                3p
                   -1 :              -0.00003753182095
                   +0 :               0.00003640300478
                   +1 :               0.00001870144363
                3d
                   -2 :               0.00000438594705
                   -1 :              -0.00000811068664
                   +0 :               0.00000138581546
                   +1 :              -0.00000487288265
                   +2 :               0.00000073334752
             17 vec=    -4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001592857773
                2s
                   +0 :              -0.00012013271171
                3s
                   +0 :               0.00004806064671
                2p
                   -1 :               0.00006800943037
                   +0 :               0.00000798352596
                   +1 :               0.00011826687855
                3p
                   -1 :              -0.00004956343317
                   +0 :              -0.00003823457753
                   +1 :              -0.00005991262155
                3d
                   -2 :               0.00000160023547
                   -1 :               0.00000455362318
                   +0 :               0.00000472792975
                   +1 :               0.00000590388654
                   +2 :               0.00000070402031
             18 vec=    -4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000865127251
                2s
                   +0 :               0.00008991372267
                3s
                   +0 :              -0.00003693567469
                2p
                   -1 :              -0.00002625537844
                   +0 :               0.00002999616735
                   +1 :              -0.00005440722709
                3p
                   -1 :               0.00004270563433
                   +0 :              -0.00003977214665
                   +1 :               0.00001412633250
                3d
                   -2 :              -0.00000220474874
                   -1 :               0.00000879818581
                   +0 :              -0.00000214417057
                   +1 :               0.00000441481143
                   +2 :               0.00000448106473
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 15)  npairs=  14
              1 vec=    -2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00011235155002
                2s
                   +0 :               0.00027945055840
                3s
                   +0 :              -0.00044975942712
                2p
                   -1 :               0.00069353480685
                   +0 :              -0.00063777012303
                   +1 :              -0.00049947253794
                3p
                   -1 :              -0.00054263428272
                   +0 :               0.00066409980920
                   +1 :               0.00048157130527
                3d
                   -2 :               0.00000036797673
                   -1 :               0.00002972772239
                   +0 :              -0.00000628535549
                   +1 :              -0.00002554720788
                   +2 :               0.00000272952337
              2 vec=    -2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000389322862
                2s
                   +0 :               0.00061463183002
                3s
                   +0 :               0.00003406869786
                2p
                   -1 :              -0.00038021003577
                   +0 :               0.00036282436116
                   +1 :               0.00020940770034
                3p
                   -1 :               0.00019769226282
                   +0 :              -0.00023048487389
                   +1 :              -0.00001283464888
                3d
                   -2 :              -0.00000483238052
                   -1 :               0.00000340857149
                   +0 :               0.00000046960315
                   +1 :               0.00000347188157
                   +2 :              -0.00003847129690
              3 vec=     5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00007650656641
                2s
                   +0 :              -0.00122224061996
                3s
                   +0 :               0.00006416076423
                2p
                   -1 :               0.00027428081507
                   +0 :               0.00113212814767
                   +1 :              -0.00035384657491
                3p
                   -1 :              -0.00025458479999
                   +0 :              -0.00004344389962
                   +1 :              -0.00006881319635
                3d
                   -2 :              -0.00003688316505
                   -1 :               0.00003309871476
                   +0 :              -0.00001447182538
                   +1 :               0.00004776750089
                   +2 :              -0.00000912580935
              4 vec=     5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00016260511333
                2s
                   +0 :               0.00172462562117
                3s
                   +0 :              -0.00021958835988
                2p
                   -1 :              -0.00014662233269
                   +0 :               0.00084849546950
                   +1 :               0.00065964263655
                3p
                   -1 :               0.00011423783164
                   +0 :              -0.00003059081986
                   +1 :              -0.00033887063547
                3d
                   -2 :               0.00001871425745
                   -1 :               0.00001112414896
                   +0 :               0.00005604200739
                   +1 :               0.00001432400376
                   +2 :               0.00000482389384
              5 vec=    -2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002875237796
                2s
                   +0 :              -0.00038670651156
                3s
                   +0 :               0.00000714963587
                2p
                   -1 :               0.00039368727579
                   +0 :               0.00010995254516
                   +1 :              -0.00017448168157
                3p
                   -1 :              -0.00000824834803
                   +0 :               0.00020525233413
                   +1 :               0.00007227152460
                3d
                   -2 :               0.00002238479749
                   -1 :              -0.00001276194173
                   +0 :              -0.00002272250624
                   +1 :               0.00000778419403
                   +2 :               0.00000689326376
              6 vec=    -2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00003814737894
                2s
                   +0 :               0.00046504555492
                3s
                   +0 :              -0.00009958835186
                2p
                   -1 :              -0.00026892126809
                   +0 :               0.00018371833358
                   +1 :               0.00010091212926
                3p
                   -1 :               0.00006389030459
                   +0 :              -0.00008418327002
                   +1 :               0.00003237338625
                3d
                   -2 :              -0.00001086988076
                   -1 :              -0.00001079729031
                   +0 :              -0.00001229460929
                   +1 :               0.00000870061011
                   +2 :               0.00000265914840
              7 vec=     5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00006407186897
                2s
                   +0 :              -0.00048945836682
                3s
                   +0 :               0.00015955466710
                2p
                   -1 :              -0.00017512189041
                   +0 :               0.00007362095226
                   +1 :              -0.00008629149130
                3p
                   -1 :               0.00016671268378
                   +0 :              -0.00000893189408
                   +1 :              -0.00008613454294
                3d
                   -2 :               0.00000986278467
                   -1 :              -0.00002008777146
                   +0 :               0.00001685854526
                   +1 :               0.00001583291078
                   +2 :              -0.00002280754439
              8 vec=     5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00006761785651
                2s
                   +0 :               0.00075242270782
                3s
                   +0 :              -0.00011987347163
                2p
                   -1 :              -0.00007910660557
                   +0 :               0.00050203192782
                   +1 :               0.00061600551929
                3p
                   -1 :              -0.00001472562882
                   +0 :              -0.00020225683438
                   +1 :              -0.00018854763338
                3d
                   -2 :              -0.00000203842758
                   -1 :              -0.00001760386580
                   +0 :               0.00000591079868
                   +1 :               0.00000671971125
                   +2 :               0.00003134763468
              9 vec=   -10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002256358358
                2s
                   +0 :              -0.00018404668149
                3s
                   +0 :               0.00005956473645
                2p
                   -1 :               0.00006022768055
                   +0 :               0.00008551425708
                   +1 :               0.00016559146920
                3p
                   -1 :              -0.00003209811428
                   +0 :              -0.00002489793609
                   +1 :              -0.00006223837934
                3d
                   -2 :              -0.00000058989260
                   -1 :               0.00000570210026
                   +0 :              -0.00001471598445
                   +1 :               0.00000201325687
                   +2 :              -0.00000047557442
             10 vec=   -10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000109221051
                2s
                   +0 :               0.00005534295408
                3s
                   +0 :               0.00000560763075
                2p
                   -1 :               0.00006364249345
                   +0 :              -0.00000186179753
                   +1 :              -0.00007750805249
                3p
                   -1 :              -0.00004901792075
                   +0 :               0.00007149624406
                   +1 :              -0.00000912226984
                3d
                   -2 :               0.00000098506127
                   -1 :              -0.00000526535202
                   +0 :               0.00001309372454
                   +1 :               0.00000184881046
                   +2 :               0.00001090089510
             11 vec=    -2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000103168633
                2s
                   +0 :              -0.00005939966362
                3s
                   +0 :              -0.00000613786824
                2p
                   -1 :              -0.00017656369576
                   +0 :              -0.00005961258201
                   +1 :              -0.00016066994396
                3p
                   -1 :               0.00008798058441
                   +0 :               0.00007832959584
                   +1 :               0.00014591269304
                3d
                   -2 :               0.00001153373268
                   -1 :              -0.00001054741022
                   +0 :              -0.00000610182943
                   +1 :              -0.00001326877107
                   +2 :              -0.00000461375654
             12 vec=    -2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003862734456
                2s
                   +0 :              -0.00035159345255
                3s
                   +0 :               0.00004070231520
                2p
                   -1 :              -0.00001773606090
                   +0 :              -0.00044833497200
                   +1 :               0.00000878086485
                3p
                   -1 :               0.00003005623378
                   +0 :               0.00006670697717
                   +1 :               0.00003734533900
                3d
                   -2 :               0.00000353595164
                   -1 :              -0.00003046320740
                   +0 :              -0.00004365498581
                   +1 :               0.00000752081017
                   +2 :              -0.00000132668196
             13 vec=   -10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000509750437
                2s
                   +0 :              -0.00008612323454
                3s
                   +0 :               0.00001093091073
                2p
                   -1 :              -0.00005797755715
                   +0 :               0.00002835190695
                   +1 :               0.00015236031628
                3p
                   -1 :               0.00002141847314
                   +0 :              -0.00002443171901
                   +1 :              -0.00007516480543
                3d
                   -2 :              -0.00000463571830
                   -1 :              -0.00000183868758
                   +0 :              -0.00000081344535
                   +1 :               0.00000912837485
                   +2 :              -0.00000742603358
             14 vec=   -10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001481272802
                2s
                   +0 :               0.00019762389245
                3s
                   +0 :              -0.00003217985221
                2p
                   -1 :               0.00010016118341
                   +0 :              -0.00002017731749
                   +1 :              -0.00012535557852
                3p
                   -1 :              -0.00003517331144
                   +0 :               0.00000080371075
                   +1 :               0.00000144780164
                3d
                   -2 :              -0.00000252294108
                   -1 :              -0.00000627376270
                   +0 :              -0.00000778269793
                   +1 :              -0.00000238862257
                   +2 :               0.00001276612714
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 16)  npairs=  12
              1 vec=    -4.767684     -0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00030657203516
                2s
                   +0 :              -0.00347584148830
                3s
                   +0 :               0.00046982005948
                2p
                   -1 :               0.00126132668924
                   +0 :              -0.01065011429389
                   +1 :              -0.00150792412558
                3p
                   -1 :              -0.00122572398869
                   +0 :              -0.00337408324105
                   +1 :               0.00308224202863
                3d
                   -2 :              -0.00000235139553
                   -1 :              -0.00014636946376
                   +0 :              -0.00006667736527
                   +1 :               0.00204705069238
                   +2 :              -0.00038172492793
              2 vec=     3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00181034838765
                2s
                   +0 :               0.01171365364837
                3s
                   +0 :              -0.00517999677337
                2p
                   -1 :              -0.00689910002888
                   +0 :              -0.00055992358008
                   +1 :               0.00386646020715
                3p
                   -1 :               0.00390757440825
                   +0 :              -0.00342229678137
                   +1 :              -0.00216580786403
                3d
                   -2 :              -0.00002633433498
                   -1 :               0.00064664698182
                   +0 :               0.00026053124026
                   +1 :              -0.00011902297047
                   +2 :               0.00031816771706
              3 vec=     3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00151391167551
                2s
                   +0 :              -0.00850597283054
                3s
                   +0 :               0.00409423377359
                2p
                   -1 :              -0.00401369288155
                   +0 :              -0.00634368393565
                   +1 :              -0.00776726021980
                3p
                   -1 :               0.00269475297797
                   +0 :               0.00158218326386
                   +1 :               0.00582672447641
                3d
                   -2 :               0.00037530827189
                   -1 :              -0.00055973433002
                   +0 :              -0.00044682461258
                   +1 :              -0.00074847805526
                   +2 :               0.00010785587676
              4 vec=    -4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00001639967088
                2s
                   +0 :               0.00029511529477
                3s
                   +0 :               0.00008247397667
                2p
                   -1 :              -0.00049305572336
                   +0 :              -0.00042924879637
                   +1 :              -0.00132654543457
                3p
                   -1 :               0.00010840852299
                   +0 :              -0.00003745200038
                   +1 :               0.00097956832869
                3d
                   -2 :              -0.00008513122944
                   -1 :               0.00001706913349
                   +0 :              -0.00003310651163
                   +1 :               0.00001105966454
                   +2 :              -0.00002866340193
              5 vec=    -4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00002232384939
                2s
                   +0 :              -0.00064062472534
                3s
                   +0 :              -0.00017553328611
                2p
                   -1 :              -0.00125845183651
                   +0 :               0.00019851260085
                   +1 :               0.00082502434028
                3p
                   -1 :               0.00052291207585
                   +0 :              -0.00055737945302
                   +1 :              -0.00041770898522
                3d
                   -2 :              -0.00003898964828
                   -1 :              -0.00011442741994
                   +0 :              -0.00011322501357
                   +1 :               0.00000961079882
                   +2 :               0.00005862341068
              6 vec=    10.792642      0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00018079838759
                2s
                   +0 :              -0.00082698838737
                3s
                   +0 :               0.00053837479893
                2p
                   -1 :               0.00002703129819
                   +0 :               0.00018726067974
                   +1 :              -0.00082448093914
                3p
                   -1 :               0.00002773822613
                   +0 :              -0.00048161336488
                   +1 :               0.00084106431232
                3d
                   -2 :              -0.00003184664827
                   -1 :               0.00001972154756
                   +0 :              -0.00001820224973
                   +1 :              -0.00004190992449
                   +2 :               0.00006592571565
              7 vec=   -12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00002414820962
                2s
                   +0 :              -0.00014771765192
                3s
                   +0 :               0.00008731131433
                2p
                   -1 :               0.00016085354739
                   +0 :              -0.00040439082550
                   +1 :              -0.00028903049561
                3p
                   -1 :              -0.00010270083097
                   +0 :               0.00027407522767
                   +1 :               0.00019502181530
                3d
                   -2 :               0.00000477325291
                   -1 :               0.00001464129648
                   +0 :              -0.00001134799413
                   +1 :              -0.00000086696549
                   +2 :               0.00000664716996
              8 vec=   -12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00006375480805
                2s
                   +0 :              -0.00044230732246
                3s
                   +0 :               0.00019441064715
                2p
                   -1 :              -0.00031461510561
                   +0 :              -0.00015525179657
                   +1 :               0.00037841596002
                3p
                   -1 :               0.00021758993599
                   +0 :               0.00004868353879
                   +1 :              -0.00026797310861
                3d
                   -2 :              -0.00002062123897
                   -1 :               0.00000239833702
                   +0 :               0.00001517383921
                   +1 :              -0.00000880986918
                   +2 :               0.00000407426033
              9 vec=     3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00005510668963
                2s
                   +0 :               0.00035967954701
                3s
                   +0 :              -0.00013244680371
                2p
                   -1 :              -0.00036066131993
                   +0 :               0.00014765661607
                   +1 :               0.00000073386530
                3p
                   -1 :               0.00023183705892
                   +0 :              -0.00016217966274
                   +1 :              -0.00001193069070
                3d
                   -2 :               0.00001104477815
                   -1 :               0.00000069547929
                   +0 :               0.00000535003213
                   +1 :              -0.00000394918201
                   +2 :              -0.00000288488968
             10 vec=     3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00001045722179
                2s
                   +0 :              -0.00008030731671
                3s
                   +0 :               0.00002326799516
                2p
                   -1 :              -0.00006296780554
                   +0 :               0.00012098895080
                   +1 :               0.00017369902976
                3p
                   -1 :               0.00002900465843
                   +0 :              -0.00012739509906
                   +1 :              -0.00016337134736
                3d
                   -2 :              -0.00001558035387
                   -1 :               0.00000170817169
                   +0 :               0.00001851457681
                   +1 :              -0.00001133276114
                   +2 :              -0.00000865968301
             11 vec=    10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00002262676021
                2s
                   +0 :              -0.00012578897338
                3s
                   +0 :               0.00011553881761
                2p
                   -1 :               0.00033447492340
                   +0 :              -0.00006845389459
                   +1 :               0.00001474746731
                3p
                   -1 :              -0.00025893214001
                   +0 :               0.00003653303533
                   +1 :               0.00003243303101
                3d
                   -2 :              -0.00000946243877
                   -1 :               0.00001079406071
                   +0 :              -0.00002243298938
                   +1 :               0.00000933770815
                   +2 :              -0.00000620759519
             12 vec=    10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00000747482263
                2s
                   +0 :               0.00000297562125
                3s
                   +0 :               0.00000694798269
                2p
                   -1 :               0.00002754158360
                   +0 :               0.00005179895306
                   +1 :              -0.00004057487569
                3p
                   -1 :               0.00000564827440
                   +0 :              -0.00008978861456
                   +1 :               0.00004137122879
                3d
                   -2 :              -0.00000675902364
                   -1 :               0.00000607837859
                   +0 :               0.00000415215473
                   +1 :              -0.00000609219194
                   +2 :              -0.00000358433854
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 17)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00005407150273
                2s
                   +0 :              -0.00084063172066
                3s
                   +0 :               0.00008369490666
                2p
                   -1 :              -0.02908947227951
                   +0 :               0.87413062801941
                   +1 :               0.01661581073007
                3p
                   -1 :               0.01209107472939
                   +0 :              -0.03993700332811
                   +1 :              -0.00687131799802
                3d
                   -2 :               0.00112654469681
                   -1 :              -0.00218626650858
                   +0 :              -0.00005560507918
                   +1 :              -0.00380305835342
                   +2 :              -0.00193341215044
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000527679068
                2s
                   +0 :              -0.00004705673665
                3s
                   +0 :               0.00001189245282
                2p
                   -1 :              -0.00146131271780
                   +0 :              -0.00030302219147
                   +1 :               0.00085652045673
                3p
                   -1 :               0.00158897896630
                   +0 :               0.00071211784702
                   +1 :              -0.00090975653333
                3d
                   -2 :              -0.00003227380519
                   -1 :              -0.00009503814682
                   +0 :               0.00000163522270
                   +1 :              -0.00016637407890
                   +2 :               0.00005361006380
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00005001350351
                2s
                   +0 :               0.00005463933029
                3s
                   +0 :              -0.00023012774200
                2p
                   -1 :               0.00062358794154
                   +0 :              -0.00016319231305
                   +1 :              -0.00059215175113
                3p
                   -1 :              -0.00065489851202
                   +0 :               0.00033510692919
                   +1 :               0.00063059297545
                3d
                   -2 :              -0.00001989783596
                   -1 :               0.00009691942756
                   +0 :              -0.00000800710109
                   +1 :              -0.00006954650534
                   +2 :               0.00007934562470
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00004970320497
                2s
                   +0 :              -0.00005310434002
                3s
                   +0 :               0.00022531684856
                2p
                   -1 :               0.00083615670634
                   +0 :              -0.00018832464103
                   +1 :              -0.00024649413056
                3p
                   -1 :              -0.00087049007557
                   +0 :               0.00035331360528
                   +1 :               0.00025336426978
                3d
                   -2 :              -0.00005898249452
                   -1 :              -0.00010891816994
                   +0 :               0.00000740888074
                   +1 :               0.00004950231493
                   +2 :               0.00005636571907
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027845956863
                2s
                   +0 :              -0.00201196265157
                3s
                   +0 :               0.00120150615635
                2p
                   -1 :              -0.00205882473743
                   +0 :               0.00072038367312
                   +1 :              -0.00025113924411
                3p
                   -1 :               0.00196515497357
                   +0 :              -0.00054050536233
                   +1 :              -0.00004747822847
                3d
                   -2 :              -0.00000030312641
                   -1 :              -0.00014286941771
                   +0 :              -0.00001826016580
                   +1 :              -0.00007538157796
                   +2 :              -0.00021714090392
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027722237110
                2s
                   +0 :               0.00200349423711
                3s
                   +0 :              -0.00119908202443
                2p
                   -1 :              -0.00079892908270
                   +0 :               0.00074531026289
                   +1 :               0.00185067852744
                3p
                   -1 :               0.00101833505726
                   +0 :              -0.00055932545216
                   +1 :              -0.00165702897830
                3d
                   -2 :               0.00018945882871
                   -1 :               0.00000720083569
                   +0 :               0.00001548699746
                   +1 :              -0.00016236117648
                   +2 :              -0.00010849462847
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000349307767
                2s
                   +0 :               0.00002407586169
                3s
                   +0 :              -0.00001432057018
                2p
                   -1 :               0.00006399633125
                   +0 :               0.00069109469443
                   +1 :              -0.00002742311395
                3p
                   -1 :               0.00008393431674
                   +0 :              -0.00032478220203
                   +1 :              -0.00006776887910
                3d
                   -2 :               0.00001677384294
                   -1 :               0.00001841030029
                   +0 :               0.00000057840450
                   +1 :               0.00002944322021
                   +2 :              -0.00003136275892
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001381121092
                2s
                   +0 :              -0.00013160669619
                3s
                   +0 :               0.00001656003308
                2p
                   -1 :              -0.00002367768204
                   +0 :               0.00002156972533
                   +1 :              -0.00017818446105
                3p
                   -1 :               0.00003481668387
                   +0 :              -0.00003108080816
                   +1 :               0.00025013855383
                3d
                   -2 :               0.00000229680786
                   -1 :               0.00001207333441
                   +0 :               0.00001344946763
                   +1 :              -0.00000593795908
                   +2 :              -0.00001760413647
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001342361365
                2s
                   +0 :               0.00012734778276
                3s
                   +0 :              -0.00001464320249
                2p
                   -1 :               0.00014540638159
                   +0 :               0.00002058570381
                   +1 :               0.00011159979206
                3p
                   -1 :              -0.00019763782528
                   +0 :              -0.00003067053449
                   +1 :              -0.00015281925369
                3d
                   -2 :               0.00001408956198
                   -1 :              -0.00001094740131
                   +0 :              -0.00001307862628
                   +1 :               0.00000793766132
                   +2 :              -0.00001086328896
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002318505908
                2s
                   +0 :              -0.00020999451380
                3s
                   +0 :               0.00002286647787
                2p
                   -1 :               0.00002109042831
                   +0 :              -0.00011366119892
                   +1 :               0.00004080880332
                3p
                   -1 :              -0.00013550207687
                   +0 :               0.00003163187925
                   +1 :               0.00005675984894
                3d
                   -2 :               0.00002343922644
                   -1 :               0.00000023614651
                   +0 :               0.00001395522287
                   +1 :              -0.00000478226938
                   +2 :               0.00001749197743
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002321316938
                2s
                   +0 :               0.00021302469508
                3s
                   +0 :              -0.00002186539859
                2p
                   -1 :              -0.00002320986781
                   +0 :              -0.00011425369160
                   +1 :              -0.00004283026920
                3p
                   -1 :              -0.00011331934891
                   +0 :               0.00003241838376
                   +1 :               0.00009040795663
                3d
                   -2 :              -0.00002642146284
                   -1 :              -0.00000424340114
                   +0 :              -0.00001468313551
                   +1 :              -0.00000195025231
                   +2 :              -0.00001036333831
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003192061251
                2s
                   +0 :              -0.00020434863502
                3s
                   +0 :               0.00007265450443
                2p
                   -1 :              -0.00000456344687
                   +0 :               0.00009977676985
                   +1 :              -0.00003975219477
                3p
                   -1 :              -0.00004403097554
                   +0 :              -0.00011146306319
                   +1 :              -0.00000133015369
                3d
                   -2 :              -0.00000485433088
                   -1 :              -0.00000677379372
                   +0 :               0.00001162619975
                   +1 :              -0.00000644367813
                   +2 :               0.00000419400918
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003178324421
                2s
                   +0 :               0.00020926649541
                3s
                   +0 :              -0.00006880758800
                2p
                   -1 :               0.00003568115770
                   +0 :               0.00010440148101
                   +1 :               0.00002006247011
                3p
                   -1 :              -0.00002223100248
                   +0 :              -0.00011478234626
                   +1 :               0.00004220507453
                3d
                   -2 :              -0.00000154058466
                   -1 :              -0.00000239249677
                   +0 :              -0.00001105973877
                   +1 :              -0.00000920338601
                   +2 :               0.00000603655785
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000012137448
                2s
                   +0 :               0.00000021390272
                3s
                   +0 :              -0.00000089152241
                2p
                   -1 :               0.00000278255731
                   +0 :               0.00000030623548
                   +1 :               0.00000039476895
                3p
                   -1 :              -0.00000477127256
                   +0 :              -0.00001092538060
                   +1 :               0.00000289258502
                3d
                   -2 :               0.00000201972550
                   -1 :               0.00000005536664
                   +0 :              -0.00000008504567
                   +1 :               0.00000033345267
                   +2 :              -0.00000368942216
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000317353642
                2s
                   +0 :               0.00000472484186
                3s
                   +0 :              -0.00001287017673
                2p
                   -1 :              -0.00002222796412
                   +0 :              -0.00000882457039
                   +1 :               0.00000949007878
                3p
                   -1 :               0.00001462696905
                   +0 :              -0.00000417740231
                   +1 :               0.00000627993502
                3d
                   -2 :               0.00000168040309
                   -1 :              -0.00000278580841
                   +0 :               0.00000336911449
                   +1 :               0.00000020532914
                   +2 :              -0.00000230259203
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000189020769
                2s
                   +0 :               0.00000847164703
                3s
                   +0 :               0.00001025521074
                2p
                   -1 :              -0.00002011773308
                   +0 :              -0.00001412131087
                   +1 :               0.00001711909193
                3p
                   -1 :               0.00000195431926
                   +0 :              -0.00000086103367
                   +1 :              -0.00001880718610
                3d
                   -2 :               0.00000124382307
                   -1 :               0.00000164666803
                   +0 :              -0.00000348968778
                   +1 :              -0.00000204784406
                   +2 :              -0.00000266460204
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000015400405
                2s
                   +0 :              -0.00001364503550
                3s
                   +0 :              -0.00000027965826
                2p
                   -1 :               0.00001308215986
                   +0 :              -0.00002257673796
                   +1 :               0.00000062383844
                3p
                   -1 :              -0.00002164931169
                   +0 :               0.00000723484242
                   +1 :              -0.00000437747548
                3d
                   -2 :               0.00000016865704
                   -1 :               0.00000031896242
                   +0 :              -0.00000048589684
                   +1 :               0.00000095997870
                   +2 :               0.00000395725131
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000118964169
                2s
                   +0 :               0.00002771010839
                3s
                   +0 :              -0.00000009117527
                2p
                   -1 :               0.00000132580678
                   +0 :              -0.00002225673843
                   +1 :              -0.00001169883446
                3p
                   -1 :              -0.00000654029530
                   +0 :               0.00000776144250
                   +1 :               0.00002354134453
                3d
                   -2 :              -0.00000380754595
                   -1 :               0.00000070312597
                   +0 :               0.00000070173314
                   +1 :               0.00000101606828
                   +2 :               0.00000178024774
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000048682874
                2s
                   +0 :               0.00000544896270
                3s
                   +0 :              -0.00000072240570
                2p
                   -1 :              -0.00002498263005
                   +0 :               0.00004786827529
                   +1 :               0.00001469159209
                3p
                   -1 :               0.00001506079821
                   +0 :              -0.00004993007747
                   +1 :              -0.00000722886036
                3d
                   -2 :               0.00000043822241
                   -1 :              -0.00000322538691
                   +0 :               0.00000011976793
                   +1 :              -0.00000529960854
                   +2 :              -0.00000101236247
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 18)  npairs=  12
              1 vec=    -2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00029478039864
                2s
                   +0 :               0.00327266786868
                3s
                   +0 :              -0.00047828088723
                2p
                   -1 :               0.00206544535948
                   +0 :              -0.01058906631451
                   +1 :              -0.00019894650522
                3p
                   -1 :              -0.00330113209061
                   +0 :              -0.00342600090110
                   +1 :              -0.00053784657422
                3d
                   -2 :               0.00033115339002
                   -1 :               0.00184883460885
                   +0 :               0.00005991751157
                   +1 :               0.00090082690328
                   +2 :              -0.00019650487648
              2 vec=    -2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00183143528028
                2s
                   +0 :              -0.01191413383907
                3s
                   +0 :               0.00522129450028
                2p
                   -1 :              -0.00688428116735
                   +0 :              -0.00053186364319
                   +1 :               0.00407514196212
                3p
                   -1 :               0.00381646713520
                   +0 :              -0.00344686003449
                   +1 :              -0.00231177401274
                3d
                   -2 :              -0.00026311297821
                   -1 :              -0.00042704955635
                   +0 :              -0.00026343498817
                   +1 :               0.00050200957381
                   +2 :               0.00018265740580
              3 vec=     5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00152039731241
                2s
                   +0 :               0.00849093510369
                3s
                   +0 :              -0.00414392535776
                2p
                   -1 :               0.00466568980992
                   +0 :              -0.00634605075745
                   +1 :               0.00729726474115
                3p
                   -1 :              -0.00365066005664
                   +0 :               0.00158388572181
                   +1 :              -0.00526104741937
                3d
                   -2 :              -0.00027861297572
                   -1 :              -0.00037046724169
                   +0 :               0.00044412486616
                   +1 :              -0.00085881188758
                   +2 :              -0.00027395935301
              4 vec=   -10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00001236752025
                2s
                   +0 :              -0.00033949893672
                3s
                   +0 :              -0.00007796581603
                2p
                   -1 :               0.00088065539096
                   +0 :              -0.00042057821026
                   +1 :               0.00110697738920
                3p
                   -1 :              -0.00078059195324
                   +0 :              -0.00004254564377
                   +1 :              -0.00057391207560
                3d
                   -2 :               0.00006750723984
                   -1 :               0.00000135073627
                   +0 :               0.00003327708170
                   +1 :               0.00002199935973
                   +2 :               0.00005639303725
              5 vec=     5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00002491643833
                2s
                   +0 :               0.00061228270426
                3s
                   +0 :               0.00018098131637
                2p
                   -1 :              -0.00127792046441
                   +0 :               0.00019076437874
                   +1 :               0.00064074556089
                3p
                   -1 :               0.00059211276485
                   +0 :              -0.00055116179735
                   +1 :              -0.00023333901441
                3d
                   -2 :              -0.00003090127997
                   -1 :               0.00006598092513
                   +0 :               0.00011140332449
                   +1 :              -0.00009446711612
                   +2 :               0.00006094407954
              6 vec=     5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00018484561981
                2s
                   +0 :               0.00086440096113
                3s
                   +0 :              -0.00054333390177
                2p
                   -1 :               0.00071241515106
                   +0 :               0.00020300675080
                   +1 :               0.00040573470566
                3p
                   -1 :              -0.00072368170425
                   +0 :              -0.00049584123390
                   +1 :              -0.00045542476922
                3d
                   -2 :              -0.00004224867820
                   -1 :              -0.00004571538963
                   +0 :               0.00001915965775
                   +1 :              -0.00000402897187
                   +2 :               0.00006212795642
              7 vec=   -10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00002007497662
                2s
                   +0 :               0.00011046078370
                3s
                   +0 :              -0.00007384547939
                2p
                   -1 :               0.00036237666453
                   +0 :              -0.00039387339325
                   +1 :               0.00001884802848
                3p
                   -1 :              -0.00023780826723
                   +0 :               0.00026455598897
                   +1 :              -0.00001391074631
                3d
                   -2 :              -0.00000892442340
                   -1 :              -0.00000733444221
                   +0 :               0.00001241958001
                   +1 :               0.00001269512266
                   +2 :              -0.00000089924003
              8 vec=    -2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00006378585088
                2s
                   +0 :               0.00043889685936
                3s
                   +0 :              -0.00019593710125
                2p
                   -1 :              -0.00047372849912
                   +0 :              -0.00015149733752
                   +1 :               0.00008913211069
                3p
                   -1 :               0.00033931061055
                   +0 :               0.00004552989434
                   +1 :              -0.00006175577582
                3d
                   -2 :               0.00000694219737
                   -1 :              -0.00000893745366
                   +0 :              -0.00001511881450
                   +1 :              -0.00000253560160
                   +2 :               0.00001983897931
              9 vec=   -10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00005307758048
                2s
                   +0 :              -0.00033411580748
                3s
                   +0 :               0.00013158514637
                2p
                   -1 :              -0.00018480779299
                   +0 :               0.00014449132134
                   +1 :               0.00030651708281
                3p
                   -1 :               0.00012520206738
                   +0 :              -0.00016415154297
                   +1 :              -0.00019398827155
                3d
                   -2 :              -0.00000224756914
                   -1 :              -0.00000421864241
                   +0 :              -0.00000433930810
                   +1 :              -0.00000094479493
                   +2 :              -0.00001117565424
             10 vec=    13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00001446440112
                2s
                   +0 :               0.00012011414837
                3s
                   +0 :              -0.00002960194206
                2p
                   -1 :              -0.00018991145890
                   +0 :               0.00012889294071
                   +1 :              -0.00002393146487
                3p
                   -1 :               0.00015804835099
                   +0 :              -0.00013051095511
                   +1 :               0.00005461376940
                3d
                   -2 :               0.00001417123518
                   -1 :              -0.00001118522302
                   +0 :              -0.00001882197385
                   +1 :              -0.00000384468424
                   +2 :               0.00000928071584
             11 vec=    -2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00002403149286
                2s
                   +0 :               0.00014347120924
                3s
                   +0 :              -0.00011731053082
                2p
                   -1 :               0.00016486166029
                   +0 :              -0.00007053532749
                   +1 :              -0.00029712951984
                3p
                   -1 :              -0.00016756515071
                   +0 :               0.00003587940522
                   +1 :               0.00020668129182
                3d
                   -2 :               0.00000989671155
                   -1 :               0.00000258441972
                   +0 :               0.00002344187561
                   +1 :               0.00001428856443
                   +2 :               0.00000546959573
             12 vec=    13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00001004890606
                2s
                   +0 :               0.00002593861007
                3s
                   +0 :              -0.00001208153530
                2p
                   -1 :               0.00003502803187
                   +0 :               0.00005586407757
                   +1 :               0.00000245053181
                3p
                   -1 :              -0.00002379879817
                   +0 :              -0.00009085538462
                   +1 :              -0.00002695035167
                3d
                   -2 :               0.00000719119427
                   -1 :              -0.00000804436128
                   +0 :              -0.00000501638378
                   +1 :               0.00000265745030
                   +2 :               0.00000424719022
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 19)  npairs=  14
              1 vec=    -2.593128      1.739106     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00233650748029
                2s
                   +0 :              -0.05997612802303
                3s
                   +0 :               0.00343995087896
                2p
                   -1 :              -0.01128508667419
                   +0 :               0.02378118945678
                   +1 :               0.02306491148009
                3p
                   -1 :              -0.00440377426615
                   +0 :               0.00296639323417
                   +1 :              -0.00149582591336
                3d
                   -2 :               0.00096494970622
                   -1 :               0.00120756444989
                   +0 :              -0.00149642486144
                   +1 :              -0.00295510372458
                   +2 :              -0.00047453979312
              2 vec=     5.187034     -2.752773     -4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00008386126611
                2s
                   +0 :               0.00144181145145
                3s
                   +0 :              -0.00049035310949
                2p
                   -1 :               0.00068967954632
                   +0 :               0.00157260949665
                   +1 :               0.00040768990303
                3p
                   -1 :              -0.00015949937441
                   +0 :              -0.00122294489453
                   +1 :              -0.00119088572431
                3d
                   -2 :              -0.00009325405509
                   -1 :               0.00014113202673
                   +0 :               0.00032705409421
                   +1 :              -0.00013773305000
                   +2 :               0.00004040845753
              3 vec=    -2.593128     -7.244652     -4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00027213018727
                2s
                   +0 :               0.00281110537156
                3s
                   +0 :              -0.00098980013272
                2p
                   -1 :              -0.00184501967123
                   +0 :              -0.00339490401416
                   +1 :               0.00189609809411
                3p
                   -1 :               0.00123479467778
                   +0 :               0.00081223114566
                   +1 :              -0.00047284152048
                3d
                   -2 :              -0.00009271252402
                   -1 :               0.00003569638432
                   +0 :               0.00010356296808
                   +1 :               0.00021552844667
                   +2 :              -0.00001068910574
              4 vec=     5.187034      6.230985     -4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00012924720649
                2s
                   +0 :               0.00060571509003
                3s
                   +0 :              -0.00052749065911
                2p
                   -1 :              -0.00169974798020
                   +0 :              -0.00108231172433
                   +1 :              -0.00209873691262
                3p
                   -1 :               0.00037284273923
                   +0 :               0.00003902918575
                   +1 :               0.00189400868804
                3d
                   -2 :               0.00004004751533
                   -1 :              -0.00011012943219
                   +0 :              -0.00001295915994
                   +1 :              -0.00008251866278
                   +2 :               0.00015782624909
              5 vec=   -10.373291     -2.752773     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00025010657395
                2s
                   +0 :               0.00136186999267
                3s
                   +0 :              -0.00081433513602
                2p
                   -1 :               0.00044519165108
                   +0 :               0.00054140059226
                   +1 :              -0.00112785304914
                3p
                   -1 :              -0.00034517159215
                   +0 :              -0.00052647913454
                   +1 :               0.00111094279084
                3d
                   -2 :               0.00004084095367
                   -1 :              -0.00000314537716
                   +0 :               0.00004646479697
                   +1 :               0.00002803090654
                   +2 :              -0.00006372347003
              6 vec=    -2.593128     10.722864     -4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00002249392430
                2s
                   +0 :              -0.00005258218237
                3s
                   +0 :              -0.00013852647099
                2p
                   -1 :              -0.00025981888488
                   +0 :              -0.00013647690035
                   +1 :               0.00004296043802
                3p
                   -1 :               0.00000524024907
                   +0 :               0.00006366900919
                   +1 :              -0.00008300881442
                3d
                   -2 :               0.00000394205174
                   -1 :              -0.00000256475783
                   +0 :               0.00001947156361
                   +1 :               0.00000424162824
                   +2 :               0.00000946170411
              7 vec=   -10.373291      6.230985     -4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00001518143482
                2s
                   +0 :              -0.00005731966676
                3s
                   +0 :              -0.00012729434862
                2p
                   -1 :               0.00038566277736
                   +0 :              -0.00004672267684
                   +1 :              -0.00010780082723
                3p
                   -1 :              -0.00024913267438
                   +0 :               0.00016966356636
                   +1 :               0.00020375552959
                3d
                   -2 :               0.00000211293994
                   -1 :              -0.00002189401772
                   +0 :               0.00004106448192
                   +1 :              -0.00002680413703
                   +2 :               0.00000479396622
              8 vec=     5.187034    -11.736531     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00006998470270
                2s
                   +0 :              -0.00079753335721
                3s
                   +0 :               0.00017569006650
                2p
                   -1 :               0.00066358746272
                   +0 :              -0.00015902662389
                   +1 :              -0.00049564370889
                3p
                   -1 :              -0.00019862506462
                   +0 :               0.00010786905064
                   +1 :               0.00019361071046
                3d
                   -2 :               0.00000533449713
                   -1 :              -0.00000697508609
                   +0 :               0.00001847223951
                   +1 :               0.00002139737358
                   +2 :               0.00003471635852
              9 vec=    12.967197      1.739106     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00002218602957
                2s
                   +0 :              -0.00013134057390
                3s
                   +0 :              -0.00014408839843
                2p
                   -1 :               0.00003238185863
                   +0 :               0.00005204502944
                   +1 :              -0.00049471824118
                3p
                   -1 :               0.00000421891522
                   +0 :              -0.00007742743702
                   +1 :               0.00011486937933
                3d
                   -2 :              -0.00000134779656
                   -1 :              -0.00001465995648
                   +0 :               0.00000943216835
                   +1 :              -0.00002713318486
                   +2 :              -0.00002068644382
             10 vec=    12.967197     -7.244652     -4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00004707223144
                2s
                   +0 :               0.00027419622638
                3s
                   +0 :              -0.00013509816748
                2p
                   -1 :              -0.00011046698013
                   +0 :              -0.00001576747867
                   +1 :               0.00011058667469
                3p
                   -1 :               0.00010778103648
                   +0 :              -0.00000023337884
                   +1 :              -0.00010011723848
                3d
                   -2 :               0.00001003710908
                   -1 :              -0.00000307868396
                   +0 :              -0.00000143032539
                   +1 :               0.00000132120397
                   +2 :              -0.00000060853500
             11 vec=   -10.373291    -11.736531     -4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000632800065
                2s
                   +0 :               0.00002832508275
                3s
                   +0 :              -0.00005988446509
                2p
                   -1 :              -0.00021502362717
                   +0 :              -0.00003839475228
                   +1 :              -0.00004587982190
                3p
                   -1 :               0.00026049692945
                   +0 :               0.00002013631530
                   +1 :               0.00006838637333
                3d
                   -2 :              -0.00001952290401
                   -1 :              -0.00000563712163
                   +0 :               0.00000680094179
                   +1 :              -0.00000115648019
                   +2 :               0.00002021013070
             12 vec=     5.187034     15.214743     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00000228049337
                2s
                   +0 :               0.00000245524826
                3s
                   +0 :              -0.00001574546542
                2p
                   -1 :               0.00013564544003
                   +0 :              -0.00005546424240
                   +1 :              -0.00006377351726
                3p
                   -1 :              -0.00015434269866
                   +0 :               0.00002524124535
                   +1 :               0.00003697442621
                3d
                   -2 :              -0.00000497051595
                   -1 :              -0.00000090728232
                   +0 :               0.00000966623058
                   +1 :               0.00000325821155
                   +2 :               0.00000756643701
             13 vec=    -2.593128    -16.228410     -4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00000852861713
                2s
                   +0 :              -0.00005699032726
                3s
                   +0 :               0.00002938043260
                2p
                   -1 :               0.00003280810053
                   +0 :               0.00004550177322
                   +1 :              -0.00004305590428
                3p
                   -1 :               0.00000424693562
                   +0 :              -0.00005084186946
                   +1 :               0.00004153729589
                3d
                   -2 :              -0.00000410741810
                   -1 :               0.00000715354171
                   +0 :               0.00000549679137
                   +1 :              -0.00000427303336
                   +2 :              -0.00000470137029
             14 vec=    12.967197     10.722864     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000129094921
                2s
                   +0 :              -0.00000444144324
                3s
                   +0 :              -0.00001422266395
                2p
                   -1 :               0.00003391208684
                   +0 :              -0.00005813393624
                   +1 :              -0.00006589492763
                3p
                   -1 :              -0.00004308318269
                   +0 :               0.00003155077824
                   +1 :               0.00003077222977
                3d
                   -2 :              -0.00000333163532
                   -1 :              -0.00000007846365
                   +0 :              -0.00000282886016
                   +1 :              -0.00000196370191
                   +2 :              -0.00000305971118
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 20)  npairs=  14
              1 vec=     0.418832     -2.752773     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00268177325924
                2s
                   +0 :              -0.08156341793291
                3s
                   +0 :               0.00484053657862
                2p
                   -1 :               0.03630325661513
                   +0 :               0.04387339063892
                   +1 :              -0.00733850891445
                3p
                   -1 :              -0.00465194483293
                   +0 :              -0.00606413634787
                   +1 :               0.00036358099854
                3d
                   -2 :               0.00084154573430
                   -1 :              -0.00162794358573
                   +0 :              -0.00098291213292
                   +1 :               0.00030594282406
                   +2 :               0.00200503279643
              2 vec=     0.418832      6.230985     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00041865920403
                2s
                   +0 :              -0.00313763023582
                3s
                   +0 :               0.00148313470154
                2p
                   -1 :              -0.00322196021914
                   +0 :               0.00189827324031
                   +1 :               0.00188911296598
                3p
                   -1 :               0.00152920952031
                   +0 :              -0.00076287263030
                   +1 :              -0.00175244480402
                3d
                   -2 :               0.00004902946925
                   -1 :              -0.00010561754014
                   +0 :              -0.00039326073375
                   +1 :               0.00007625772542
                   +2 :              -0.00021875275456
              3 vec=    -7.361331      1.739106     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00025650852766
                2s
                   +0 :              -0.00118676370308
                3s
                   +0 :               0.00086882403733
                2p
                   -1 :               0.00052344752037
                   +0 :              -0.00356719724716
                   +1 :               0.00317920524901
                3p
                   -1 :               0.00110810775759
                   +0 :               0.00061186286490
                   +1 :              -0.00168579917562
                3d
                   -2 :              -0.00018830812362
                   -1 :              -0.00009058112627
                   +0 :               0.00001223254560
                   +1 :               0.00026219155708
                   +2 :              -0.00006632991584
              4 vec=     8.198995      1.739106     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00024982936468
                2s
                   +0 :              -0.00176845885098
                3s
                   +0 :               0.00058408027697
                2p
                   -1 :              -0.00029583044570
                   +0 :               0.00038272653020
                   +1 :              -0.00259188608433
                3p
                   -1 :               0.00058277317115
                   +0 :              -0.00122249122402
                   +1 :               0.00081417488451
                3d
                   -2 :               0.00002929167810
                   -1 :              -0.00002645000052
                   +0 :               0.00001805879857
                   +1 :              -0.00016206397064
                   +2 :              -0.00006006977043
              5 vec=    -7.361331     -7.244652     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00018244109831
                2s
                   +0 :               0.00079560267738
                3s
                   +0 :              -0.00041988214669
                2p
                   -1 :               0.00131638667396
                   +0 :               0.00094110623529
                   +1 :               0.00003242958000
                3p
                   -1 :              -0.00104953322962
                   +0 :              -0.00101643315339
                   +1 :               0.00002115805223
                3d
                   -2 :               0.00011181471149
                   -1 :               0.00005348857331
                   +0 :              -0.00007990586745
                   +1 :               0.00000333924041
                   +2 :              -0.00006138504524
              6 vec=     8.198995     -7.244652     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00003854045338
                2s
                   +0 :              -0.00020067827285
                3s
                   +0 :               0.00003905378908
                2p
                   -1 :               0.00000241587639
                   +0 :               0.00010104754432
                   +1 :              -0.00059036592426
                3p
                   -1 :              -0.00009622368955
                   +0 :              -0.00017249685737
                   +1 :               0.00057134508299
                3d
                   -2 :              -0.00001888206945
                   -1 :              -0.00002202908849
                   +0 :               0.00000509014113
                   +1 :               0.00002995914642
                   +2 :              -0.00000890192817
              7 vec=     0.418832    -11.736531     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001382945031
                2s
                   +0 :              -0.00025077146879
                3s
                   +0 :               0.00003629119638
                2p
                   -1 :               0.00022915409790
                   +0 :               0.00009039724491
                   +1 :               0.00049693104261
                3p
                   -1 :              -0.00018720007326
                   +0 :               0.00003649767200
                   +1 :              -0.00022079551691
                3d
                   -2 :              -0.00001182213788
                   -1 :               0.00001654156226
                   +0 :              -0.00002094425786
                   +1 :              -0.00000386690785
                   +2 :              -0.00000320677283
              8 vec=    -7.361331     10.722864     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00000454604738
                2s
                   +0 :              -0.00026505912955
                3s
                   +0 :              -0.00018337010233
                2p
                   -1 :              -0.00027848410878
                   +0 :               0.00004181219298
                   +1 :              -0.00017998519878
                3p
                   -1 :              -0.00021702518821
                   +0 :               0.00007207887849
                   +1 :               0.00037323940093
                3d
                   -2 :               0.00005554418096
                   -1 :               0.00002110368608
                   +0 :               0.00001117627027
                   +1 :              -0.00002082265009
                   +2 :               0.00001890241235
              9 vec=     8.198995     10.722864     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00000301177885
                2s
                   +0 :              -0.00008398223605
                3s
                   +0 :              -0.00006699684424
                2p
                   -1 :              -0.00004786799490
                   +0 :              -0.00004531136039
                   +1 :               0.00010972801823
                3p
                   -1 :              -0.00011638439956
                   +0 :               0.00003624375839
                   +1 :              -0.00018949835863
                3d
                   -2 :              -0.00002364424032
                   -1 :               0.00001675602828
                   +0 :               0.00002840264293
                   +1 :              -0.00000767314499
                   +2 :               0.00000358488871
             10 vec=     0.418832     15.214743     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000543960836
                2s
                   +0 :              -0.00002482443337
                3s
                   +0 :              -0.00001292051650
                2p
                   -1 :              -0.00002699059571
                   +0 :               0.00002203327034
                   +1 :               0.00007355863263
                3p
                   -1 :              -0.00004682084138
                   +0 :              -0.00001640783431
                   +1 :              -0.00008603274111
                3d
                   -2 :              -0.00000505847802
                   -1 :              -0.00000314933404
                   +0 :              -0.00000238169194
                   +1 :              -0.00000144358689
                   +2 :              -0.00000148382404
             11 vec=   -15.141493     -2.752773     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00006006770779
                2s
                   +0 :              -0.00038097062708
                3s
                   +0 :               0.00016526362761
                2p
                   -1 :               0.00003028147373
                   +0 :               0.00016549494501
                   +1 :               0.00012111930285
                3p
                   -1 :               0.00000002314654
                   +0 :              -0.00016425848974
                   +1 :              -0.00004966773530
                3d
                   -2 :              -0.00000405348674
                   -1 :               0.00000149833167
                   +0 :               0.00001057283032
                   +1 :               0.00002599123364
                   +2 :               0.00000640658097
             12 vec=    15.979157     -2.752773     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00002439986614
                2s
                   +0 :               0.00015695944071
                3s
                   +0 :              -0.00008331917073
                2p
                   -1 :               0.00002679454358
                   +0 :              -0.00006653599956
                   +1 :               0.00003720518091
                3p
                   -1 :               0.00000184968639
                   +0 :               0.00003907798033
                   +1 :              -0.00002710300695
                3d
                   -2 :              -0.00000313034632
                   -1 :              -0.00000282046947
                   +0 :               0.00000177302376
                   +1 :               0.00000081012638
                   +2 :              -0.00000204599366
             13 vec=   -15.141493      6.230985     -4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00001031006825
                2s
                   +0 :              -0.00008466001287
                3s
                   +0 :               0.00002081391903
                2p
                   -1 :               0.00003187694868
                   +0 :              -0.00007024442117
                   +1 :               0.00004407907568
                3p
                   -1 :              -0.00004983844680
                   +0 :               0.00005042697864
                   +1 :              -0.00000245003832
                3d
                   -2 :               0.00000909945464
                   -1 :              -0.00000072124125
                   +0 :              -0.00000002315382
                   +1 :              -0.00000984040765
                   +2 :              -0.00000370313550
             14 vec=    15.979157      6.230985     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000359541195
                2s
                   +0 :              -0.00003335790839
                3s
                   +0 :               0.00000663396970
                2p
                   -1 :              -0.00004799180675
                   +0 :              -0.00001684087264
                   +1 :               0.00000013090676
                3p
                   -1 :               0.00002009577789
                   +0 :               0.00000801480298
                   +1 :              -0.00000634631381
                3d
                   -2 :              -0.00000224172159
                   -1 :              -0.00000021541352
                   +0 :              -0.00000000876892
                   +1 :              -0.00000029645682
                   +2 :               0.00000512836098
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 21)  npairs=  14
              1 vec=     2.802933      1.376611     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00244918118837
                2s
                   +0 :              -0.05284172098728
                3s
                   +0 :               0.00372160748672
                2p
                   -1 :              -0.00723757752732
                   +0 :               0.02514156983270
                   +1 :              -0.02425930784157
                3p
                   -1 :              -0.00211701910267
                   +0 :              -0.00026613899389
                   +1 :               0.00276505005252
                3d
                   -2 :              -0.00072714555148
                   -1 :               0.00076193068259
                   +0 :              -0.00099100657388
                   +1 :               0.00291948902985
                   +2 :              -0.00114456046519
              2 vec=    -4.977229     -3.115268     -4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00227457679780
                2s
                   +0 :              -0.01628314227671
                3s
                   +0 :               0.00760987559917
                2p
                   -1 :               0.00871023223965
                   +0 :               0.00584111855627
                   +1 :               0.01253637753758
                3p
                   -1 :              -0.00596568627644
                   +0 :              -0.00451125942828
                   +1 :              -0.00908706145468
                3d
                   -2 :               0.00068200578347
                   -1 :               0.00028197389228
                   +0 :              -0.00036024730495
                   +1 :               0.00043822272126
                   +2 :               0.00033637687529
              3 vec=    -4.977229      5.868490     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00009651849685
                2s
                   +0 :              -0.00088246912212
                3s
                   +0 :              -0.00005386101060
                2p
                   -1 :              -0.00526589587397
                   +0 :              -0.00269414654146
                   +1 :               0.00147949961487
                3p
                   -1 :               0.00201606366361
                   +0 :               0.00052533620458
                   +1 :              -0.00045355873135
                3d
                   -2 :               0.00006298948453
                   -1 :              -0.00009540441502
                   +0 :               0.00012612329716
                   +1 :               0.00010831725402
                   +2 :               0.00004416886918
              4 vec=     2.802933     -7.607147     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00015876654741
                2s
                   +0 :              -0.00108938994485
                3s
                   +0 :               0.00015216011323
                2p
                   -1 :               0.00118912863564
                   +0 :              -0.00189190640228
                   +1 :              -0.00198434670820
                3p
                   -1 :               0.00082787950053
                   +0 :               0.00052376891910
                   +1 :               0.00033934052923
                3d
                   -2 :               0.00012570272247
                   -1 :               0.00003807269979
                   +0 :               0.00014644175104
                   +1 :              -0.00000091503273
                   +2 :               0.00017153215468
              5 vec=     2.802933     10.360369     -4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00004722825529
                2s
                   +0 :              -0.00060750635192
                3s
                   +0 :               0.00019049790074
                2p
                   -1 :              -0.00034329786552
                   +0 :              -0.00018820189163
                   +1 :              -0.00078777966318
                3p
                   -1 :               0.00010715800285
                   +0 :               0.00011408168546
                   +1 :               0.00072246302817
                3d
                   -2 :               0.00006829389338
                   -1 :              -0.00001481794616
                   +0 :              -0.00004653458726
                   +1 :              -0.00003382198426
                   +2 :              -0.00002147581564
              6 vec=    10.583096     -3.115268     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00007472357897
                2s
                   +0 :              -0.00048056010194
                3s
                   +0 :               0.00025139715029
                2p
                   -1 :               0.00081280870333
                   +0 :              -0.00027811150420
                   +1 :              -0.00050440912623
                3p
                   -1 :              -0.00069546188296
                   +0 :               0.00013640042326
                   +1 :               0.00053386838801
                3d
                   -2 :              -0.00002622570305
                   -1 :               0.00000923403061
                   +0 :              -0.00003259424557
                   +1 :              -0.00000521888033
                   +2 :               0.00006042607375
              7 vec=    10.583096      5.868490     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00000626507089
                2s
                   +0 :              -0.00011343864038
                3s
                   +0 :              -0.00002542543115
                2p
                   -1 :              -0.00000407045082
                   +0 :               0.00030452431834
                   +1 :               0.00015764258053
                3p
                   -1 :              -0.00010037855780
                   +0 :              -0.00015521197888
                   +1 :              -0.00017955484294
                3d
                   -2 :               0.00003368742479
                   -1 :              -0.00003265991838
                   +0 :               0.00000545591073
                   +1 :              -0.00000834404243
                   +2 :              -0.00000036360132
              8 vec=   -12.757392      1.376611     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00001545507236
                2s
                   +0 :              -0.00034959411884
                3s
                   +0 :              -0.00005775563007
                2p
                   -1 :              -0.00009590249769
                   +0 :               0.00010448886497
                   +1 :               0.00013794361766
                3p
                   -1 :               0.00007146219275
                   +0 :              -0.00006852125945
                   +1 :               0.00020275806163
                3d
                   -2 :               0.00000052773277
                   -1 :               0.00001052185698
                   +0 :               0.00002545656467
                   +1 :               0.00001472109728
                   +2 :              -0.00004398708175
              9 vec=    -4.977229    -12.099026     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00000081766058
                2s
                   +0 :              -0.00006603382747
                3s
                   +0 :              -0.00003494831275
                2p
                   -1 :               0.00019393368328
                   +0 :              -0.00015942315179
                   +1 :              -0.00015209212069
                3p
                   -1 :              -0.00009584681676
                   +0 :               0.00011089992652
                   +1 :               0.00012797235328
                3d
                   -2 :               0.00001545578120
                   -1 :              -0.00000093859981
                   +0 :               0.00000360762008
                   +1 :              -0.00000730535736
                   +2 :              -0.00000693118432
             10 vec=   -12.757392     -7.607147     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00003090029570
                2s
                   +0 :              -0.00019859700514
                3s
                   +0 :               0.00005004662014
                2p
                   -1 :               0.00013960460611
                   +0 :               0.00009698491357
                   +1 :               0.00016613766850
                3p
                   -1 :              -0.00006063424937
                   +0 :              -0.00009046105561
                   +1 :              -0.00007591308436
                3d
                   -2 :              -0.00001723475188
                   -1 :               0.00001011820138
                   +0 :               0.00001228711469
                   +1 :               0.00000215314388
                   +2 :              -0.00000134973099
             11 vec=    -4.977229     14.852248     -4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000804166906
                2s
                   +0 :              -0.00005833616411
                3s
                   +0 :              -0.00000575286135
                2p
                   -1 :              -0.00003981534266
                   +0 :              -0.00002819515228
                   +1 :              -0.00001068240411
                3p
                   -1 :              -0.00002602031177
                   +0 :               0.00001351837591
                   +1 :              -0.00000164397867
                3d
                   -2 :              -0.00000869614658
                   -1 :               0.00000720111553
                   +0 :               0.00001151472728
                   +1 :               0.00000367619242
                   +2 :               0.00000090512713
             12 vec=    10.583096    -12.099026     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00001933738470
                2s
                   +0 :               0.00012574327222
                3s
                   +0 :              -0.00005729704671
                2p
                   -1 :              -0.00012246199354
                   +0 :               0.00002400594927
                   +1 :               0.00001822673410
                3p
                   -1 :               0.00009035954465
                   +0 :              -0.00004588996703
                   +1 :              -0.00002228583608
                3d
                   -2 :               0.00000166623711
                   -1 :              -0.00000138839363
                   +0 :               0.00000616966751
                   +1 :              -0.00000263698778
                   +2 :               0.00000060029176
             13 vec=   -12.757392     10.360369     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00000176390240
                2s
                   +0 :              -0.00001460023988
                3s
                   +0 :              -0.00000047088522
                2p
                   -1 :              -0.00004312879387
                   +0 :              -0.00009299121475
                   +1 :              -0.00003004624535
                3p
                   -1 :               0.00004454669319
                   +0 :               0.00006622820614
                   +1 :               0.00004486457215
                3d
                   -2 :               0.00000485587861
                   -1 :              -0.00000376605341
                   +0 :              -0.00000453678144
                   +1 :              -0.00000066601262
                   +2 :              -0.00000027661953
             14 vec=     2.802933    -16.590905     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000136760212
                2s
                   +0 :              -0.00000287400855
                3s
                   +0 :               0.00000243495002
                2p
                   -1 :               0.00001912953232
                   +0 :               0.00004012175998
                   +1 :               0.00007056505132
                3p
                   -1 :              -0.00000798979871
                   +0 :              -0.00005928104116
                   +1 :              -0.00002504033752
                3d
                   -2 :              -0.00000001757498
                   -1 :               0.00000027370537
                   +0 :               0.00000211464417
                   +1 :              -0.00000027390433
                   +2 :              -0.00000190472526
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 22)  npairs=  14
              1 vec=     0.419351     -0.000150      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00030896501198
                2s
                   +0 :              -0.00019083649459
                3s
                   +0 :              -0.00131146454866
                2p
                   -1 :              -0.00233039182687
                   +0 :               0.00363723350062
                   +1 :               0.00040926372681
                3p
                   -1 :               0.00117379722148
                   +0 :              -0.00348102364820
                   +1 :              -0.00040476459304
                3d
                   -2 :              -0.00012370123609
                   -1 :              -0.00012224503732
                   +0 :              -0.00073291802241
                   +1 :               0.00004940537426
                   +2 :               0.00007050694522
              2 vec=    -7.360812      4.491729      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00003490568602
                2s
                   +0 :              -0.00007161017593
                3s
                   +0 :               0.00011375888532
                2p
                   -1 :              -0.00001700306171
                   +0 :               0.00040549626486
                   +1 :              -0.00066383344089
                3p
                   -1 :               0.00009237508748
                   +0 :              -0.00035946525406
                   +1 :               0.00038001921533
                3d
                   -2 :               0.00001245249726
                   -1 :               0.00002135632582
                   +0 :              -0.00005153729624
                   +1 :               0.00002871699483
                   +2 :              -0.00003930930071
              3 vec=    -7.360812     -4.492029      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00027133452984
                2s
                   +0 :              -0.00136256888467
                3s
                   +0 :               0.00092049931841
                2p
                   -1 :              -0.00023249834093
                   +0 :              -0.00114599265064
                   +1 :              -0.00166860144005
                3p
                   -1 :              -0.00003537484539
                   +0 :               0.00090961224480
                   +1 :               0.00097967413061
                3d
                   -2 :              -0.00003922437792
                   -1 :               0.00001908627368
                   +0 :               0.00004863965189
                   +1 :              -0.00001619051084
                   +2 :               0.00000382127976
              4 vec=     0.419351      8.983608      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00001713455932
                2s
                   +0 :               0.00059326141708
                3s
                   +0 :               0.00007433080632
                2p
                   -1 :               0.00029709691617
                   +0 :              -0.00052056036593
                   +1 :               0.00006857284261
                3p
                   -1 :               0.00024413035744
                   +0 :               0.00021472992985
                   +1 :              -0.00007121421093
                3d
                   -2 :               0.00002385954581
                   -1 :               0.00000676942230
                   +0 :              -0.00005394938099
                   +1 :              -0.00000412236966
                   +2 :              -0.00003090247578
              5 vec=     0.419351     -8.983908      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00007690689265
                2s
                   +0 :               0.00057120802363
                3s
                   +0 :              -0.00031836209096
                2p
                   -1 :              -0.00095483458228
                   +0 :              -0.00013965000246
                   +1 :               0.00024476302649
                3p
                   -1 :               0.00041807208729
                   +0 :               0.00001308844817
                   +1 :              -0.00022715341821
                3d
                   -2 :              -0.00001398102575
                   -1 :               0.00002129781749
                   +0 :               0.00002854907362
                   +1 :              -0.00000846883878
                   +2 :               0.00003681288141
              6 vec=     8.199513      4.491729      8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00000546775445
                2s
                   +0 :               0.00010163096250
                3s
                   +0 :               0.00008027347271
                2p
                   -1 :               0.00045883831592
                   +0 :              -0.00063962346783
                   +1 :               0.00021717895077
                3p
                   -1 :              -0.00025757279244
                   +0 :               0.00055371426953
                   +1 :               0.00007963442921
                3d
                   -2 :              -0.00001967436318
                   -1 :               0.00002828671819
                   +0 :               0.00005031352977
                   +1 :              -0.00000226801719
                   +2 :              -0.00002059115652
              7 vec=     8.199513     -4.492029      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00006190453808
                2s
                   +0 :               0.00086771070822
                3s
                   +0 :              -0.00018632928815
                2p
                   -1 :              -0.00043281301856
                   +0 :               0.00042585218116
                   +1 :               0.00104060885204
                3p
                   -1 :               0.00024747728709
                   +0 :              -0.00042614672346
                   +1 :              -0.00053651594222
                3d
                   -2 :               0.00001217970849
                   -1 :               0.00001361116146
                   +0 :              -0.00000007977075
                   +1 :               0.00000030791578
                   +2 :               0.00003662039340
              8 vec=     0.419351     -0.000150    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00000056112440
                2s
                   +0 :               0.00000736557951
                3s
                   +0 :              -0.00002542234586
                2p
                   -1 :               0.00001525556181
                   +0 :              -0.00010736723513
                   +1 :               0.00000391906735
                3p
                   -1 :              -0.00003193268418
                   +0 :               0.00011087111387
                   +1 :              -0.00000415414703
                3d
                   -2 :               0.00000021135818
                   -1 :               0.00000435550799
                   +0 :              -0.00001633906198
                   +1 :              -0.00000112499483
                   +2 :               0.00000289227540
              9 vec=   -15.140975     -0.000150      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00000506171259
                2s
                   +0 :              -0.00003870909250
                3s
                   +0 :               0.00004529643547
                2p
                   -1 :              -0.00004589621432
                   +0 :               0.00006768846921
                   +1 :              -0.00004835581284
                3p
                   -1 :               0.00004614017416
                   +0 :              -0.00003780043004
                   +1 :              -0.00001278914317
                3d
                   -2 :              -0.00000748146759
                   -1 :               0.00000306303644
                   +0 :              -0.00000795842912
                   +1 :               0.00000403105502
                   +2 :               0.00000164122382
             10 vec=    -7.360812     13.475487      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00003437279693
                2s
                   +0 :               0.00030694185455
                3s
                   +0 :              -0.00006570178313
                2p
                   -1 :               0.00016396717732
                   +0 :               0.00003432462400
                   +1 :              -0.00017871713539
                3p
                   -1 :              -0.00002402365564
                   +0 :               0.00001317303649
                   +1 :               0.00009522976825
                3d
                   -2 :              -0.00000001985815
                   -1 :               0.00000369123033
                   +0 :              -0.00000332515166
                   +1 :              -0.00000098554381
                   +2 :              -0.00000796997472
             11 vec=    -7.360812    -13.475787      8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00000010325409
                2s
                   +0 :               0.00002208559594
                3s
                   +0 :               0.00001660389690
                2p
                   -1 :               0.00002386907546
                   +0 :               0.00006736356497
                   +1 :              -0.00010120160734
                3p
                   -1 :              -0.00006979298157
                   +0 :              -0.00001120061658
                   +1 :               0.00003702437380
                3d
                   -2 :               0.00000131703392
                   -1 :              -0.00000412491496
                   +0 :              -0.00000542571048
                   +1 :              -0.00000084071833
                   +2 :              -0.00000294359439
             12 vec=     8.199513     13.475487      8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000399662770
                2s
                   +0 :               0.00005581449272
                3s
                   +0 :               0.00001319930026
                2p
                   -1 :               0.00002609449194
                   +0 :               0.00000622523150
                   +1 :               0.00001965742335
                3p
                   -1 :               0.00001925662493
                   +0 :               0.00002514014000
                   +1 :               0.00000007158928
                3d
                   -2 :               0.00000115299105
                   -1 :               0.00000737190396
                   +0 :               0.00000184878399
                   +1 :              -0.00000237226872
                   +2 :              -0.00000315021503
             13 vec=     8.199513    -13.475787      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00002567819720
                2s
                   +0 :               0.00021298456173
                3s
                   +0 :              -0.00004103565884
                2p
                   -1 :              -0.00009486106388
                   +0 :               0.00006512053198
                   +1 :               0.00004555719880
                3p
                   -1 :               0.00002740553335
                   +0 :              -0.00001220051729
                   +1 :               0.00002862223317
                3d
                   -2 :               0.00000005968312
                   -1 :               0.00000348217124
                   +0 :              -0.00000013537360
                   +1 :               0.00000207162925
                   +2 :              -0.00000067447050
             14 vec=    15.979676     -0.000150      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000260782220
                2s
                   +0 :               0.00003280730008
                3s
                   +0 :              -0.00000046343315
                2p
                   -1 :              -0.00000543475173
                   +0 :               0.00000825693108
                   +1 :               0.00003306457084
                3p
                   -1 :              -0.00000251205058
                   +0 :              -0.00000284665891
                   +1 :              -0.00001031640908
                3d
                   -2 :              -0.00000232192340
                   -1 :               0.00000288331799
                   +0 :              -0.00000354165581
                   +1 :               0.00000037596545
                   +2 :              -0.00000004282525
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 23)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00009264272827
                2s
                   +0 :               0.00095239849026
                3s
                   +0 :               0.00038373550201
                2p
                   -1 :              -0.00124818404311
                   +0 :               0.00045376248194
                   +1 :              -0.00066362864951
                3p
                   -1 :              -0.00016787167554
                   +0 :               0.00095887103395
                   +1 :               0.00150138620426
                3d
                   -2 :              -0.00005766720081
                   -1 :              -0.00014066546785
                   +0 :               0.00004233110720
                   +1 :               0.00019204715068
                   +2 :              -0.00001485181195
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00044233600885
                2s
                   +0 :               0.00394026043943
                3s
                   +0 :              -0.00064932214635
                2p
                   -1 :               0.00573086402310
                   +0 :               0.00808685662314
                   +1 :               0.00074002759060
                3p
                   -1 :              -0.00118813397447
                   +0 :              -0.00147968471677
                   +1 :              -0.00039216678646
                3d
                   -2 :               0.00005440008262
                   -1 :               0.00021764235747
                   +0 :               0.00018839550164
                   +1 :              -0.00003027423004
                   +2 :              -0.00012894632169
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00029258641646
                2s
                   +0 :               0.00286180583876
                3s
                   +0 :              -0.00045479692941
                2p
                   -1 :               0.00001853067154
                   +0 :               0.00217994435583
                   +1 :              -0.00259222845032
                3p
                   -1 :              -0.00019848639950
                   +0 :              -0.00030979068904
                   +1 :              -0.00000132849888
                3d
                   -2 :               0.00001947001487
                   -1 :              -0.00002524945205
                   +0 :              -0.00000728982577
                   +1 :              -0.00017861427486
                   +2 :               0.00007077719916
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001918794777
                2s
                   +0 :               0.00045118958269
                3s
                   +0 :              -0.00006760128770
                2p
                   -1 :               0.00000915256498
                   +0 :              -0.00045265688644
                   +1 :               0.00037263709935
                3p
                   -1 :               0.00012937881353
                   +0 :               0.00020529432739
                   +1 :              -0.00010740100527
                3d
                   -2 :               0.00001495979796
                   -1 :               0.00000165543604
                   +0 :              -0.00002486966612
                   +1 :              -0.00002056583352
                   +2 :              -0.00000387051139
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00002673200259
                2s
                   +0 :              -0.00003955206803
                3s
                   +0 :               0.00014492691357
                2p
                   -1 :              -0.00006523786833
                   +0 :              -0.00014368962330
                   +1 :               0.00004037825337
                3p
                   -1 :              -0.00002772442195
                   +0 :               0.00023737147549
                   +1 :               0.00001085625539
                3d
                   -2 :              -0.00001093248590
                   -1 :               0.00001615054025
                   +0 :               0.00002178155048
                   +1 :               0.00001150984766
                   +2 :              -0.00001279974666
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001410086423
                2s
                   +0 :               0.00007377075623
                3s
                   +0 :               0.00000454907248
                2p
                   -1 :              -0.00050332966352
                   +0 :              -0.00040516712370
                   +1 :              -0.00042572852514
                3p
                   -1 :               0.00058155254286
                   +0 :               0.00019162063775
                   +1 :               0.00028023189340
                3d
                   -2 :              -0.00002135986291
                   -1 :               0.00000764181673
                   +0 :               0.00003531944701
                   +1 :               0.00002489305367
                   +2 :              -0.00002187959316
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001435380410
                2s
                   +0 :               0.00014221072637
                3s
                   +0 :              -0.00003050167093
                2p
                   -1 :              -0.00002828869808
                   +0 :               0.00002627596091
                   +1 :               0.00025656886057
                3p
                   -1 :               0.00003307535806
                   +0 :               0.00000189032603
                   +1 :              -0.00015820896508
                3d
                   -2 :               0.00000088426649
                   -1 :               0.00000090002333
                   +0 :              -0.00000197334966
                   +1 :               0.00000488513924
                   +2 :              -0.00000298378279
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001371421484
                2s
                   +0 :               0.00020031084021
                3s
                   +0 :              -0.00003764870803
                2p
                   -1 :              -0.00011862632665
                   +0 :               0.00014908218956
                   +1 :               0.00010952189873
                3p
                   -1 :               0.00011030627491
                   +0 :              -0.00009177253644
                   +1 :               0.00002542434300
                3d
                   -2 :               0.00001650593310
                   -1 :              -0.00000016751282
                   +0 :              -0.00000706211506
                   +1 :              -0.00001767231939
                   +2 :               0.00000816562841
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000174640721
                2s
                   +0 :               0.00000082100711
                3s
                   +0 :               0.00001001496415
                2p
                   -1 :               0.00010978567845
                   +0 :              -0.00002740993764
                   +1 :               0.00001893828624
                3p
                   -1 :              -0.00010844136979
                   +0 :               0.00004804975839
                   +1 :              -0.00002756429649
                3d
                   -2 :               0.00000196552830
                   -1 :               0.00001009720216
                   +0 :               0.00001672737283
                   +1 :              -0.00000478232101
                   +2 :               0.00000622024113
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000847426333
                2s
                   +0 :               0.00004199319349
                3s
                   +0 :              -0.00001944745817
                2p
                   -1 :              -0.00002456190424
                   +0 :              -0.00000863861275
                   +1 :              -0.00007457290326
                3p
                   -1 :               0.00002491183714
                   +0 :              -0.00001106832850
                   +1 :               0.00005639492568
                3d
                   -2 :              -0.00000280366116
                   -1 :              -0.00000226935135
                   +0 :               0.00000055033456
                   +1 :               0.00000390891987
                   +2 :              -0.00000301506876
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000384039138
                2s
                   +0 :               0.00006877147974
                3s
                   +0 :               0.00000417258858
                2p
                   -1 :              -0.00003413866034
                   +0 :              -0.00000491061796
                   +1 :              -0.00001959923640
                3p
                   -1 :              -0.00000615841412
                   +0 :              -0.00000288102485
                   +1 :              -0.00000459419158
                3d
                   -2 :               0.00000247871369
                   -1 :               0.00000712460012
                   +0 :              -0.00000524377179
                   +1 :               0.00000284455989
                   +2 :              -0.00000617240427
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000779820736
                2s
                   +0 :              -0.00000422451188
                3s
                   +0 :               0.00004291205673
                2p
                   -1 :              -0.00007939950941
                   +0 :              -0.00003360416938
                   +1 :               0.00012455126580
                3p
                   -1 :              -0.00001305601928
                   +0 :               0.00002743028849
                   +1 :              -0.00012513566952
                3d
                   -2 :               0.00000930631445
                   -1 :              -0.00001778351141
                   +0 :              -0.00001326028045
                   +1 :              -0.00000541031970
                   +2 :               0.00000328728512
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00002464342045
                2s
                   +0 :              -0.00020605957305
                3s
                   +0 :               0.00004503731147
                2p
                   -1 :              -0.00005415381564
                   +0 :               0.00011449365925
                   +1 :               0.00001981483765
                3p
                   -1 :               0.00000963323168
                   +0 :               0.00003070931419
                   +1 :               0.00000779333714
                3d
                   -2 :               0.00000194662352
                   -1 :               0.00000487881877
                   +0 :              -0.00000583859901
                   +1 :              -0.00000249300294
                   +2 :              -0.00000217492973
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003836973883
                2s
                   +0 :              -0.00028503338181
                3s
                   +0 :               0.00009678380251
                2p
                   -1 :              -0.00000582344300
                   +0 :               0.00012330251434
                   +1 :              -0.00005533753963
                3p
                   -1 :               0.00002838532910
                   +0 :              -0.00003920429292
                   +1 :               0.00007362969260
                3d
                   -2 :               0.00001052340135
                   -1 :              -0.00000513937105
                   +0 :               0.00000872261861
                   +1 :              -0.00000751251911
                   +2 :              -0.00000125974600
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000784404069
                2s
                   +0 :              -0.00009588586119
                3s
                   +0 :              -0.00001521388461
                2p
                   -1 :               0.00001521805756
                   +0 :               0.00009732370428
                   +1 :              -0.00002648120036
                3p
                   -1 :               0.00003043650201
                   +0 :              -0.00000555583676
                   +1 :              -0.00000218166058
                3d
                   -2 :              -0.00000141665095
                   -1 :              -0.00001236276941
                   +0 :               0.00000122195289
                   +1 :               0.00000131111836
                   +2 :               0.00000328339526
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 24)  npairs=  15
              1 vec=     2.802933     -4.128636      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00021062198509
                2s
                   +0 :               0.00229380619139
                3s
                   +0 :              -0.00001349672676
                2p
                   -1 :               0.00113386562475
                   +0 :               0.00416848628996
                   +1 :               0.00503884140308
                3p
                   -1 :              -0.00118375720573
                   +0 :              -0.00053811692228
                   +1 :              -0.00121228501020
                3d
                   -2 :               0.00005138259987
                   -1 :              -0.00007487628627
                   +0 :               0.00002531795545
                   +1 :               0.00002895982574
                   +2 :               0.00004957701928
              2 vec=    -4.977229      0.363243      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00024861248142
                2s
                   +0 :               0.00181277970940
                3s
                   +0 :              -0.00012496428479
                2p
                   -1 :              -0.00072677389147
                   +0 :               0.00341748362406
                   +1 :              -0.00089034565499
                3p
                   -1 :              -0.00100329739649
                   +0 :              -0.00053669074070
                   +1 :              -0.00085627169733
                3d
                   -2 :               0.00012681473088
                   -1 :              -0.00026879288317
                   +0 :               0.00011512484368
                   +1 :              -0.00020360422482
                   +2 :               0.00007057429996
              3 vec=     2.802933      4.855122      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00023523354655
                2s
                   +0 :               0.00237655721041
                3s
                   +0 :               0.00013010953068
                2p
                   -1 :               0.00229902989467
                   +0 :               0.00110227150352
                   +1 :              -0.00020830102523
                3p
                   -1 :              -0.00000862545869
                   +0 :               0.00113091767419
                   +1 :               0.00003349474359
                3d
                   -2 :              -0.00006969878939
                   -1 :               0.00013366166259
                   +0 :               0.00010287694100
                   +1 :              -0.00015367736480
                   +2 :              -0.00005411665129
              4 vec=    -4.977229     -8.620515      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00010059674040
                2s
                   +0 :               0.00092046109078
                3s
                   +0 :              -0.00041590664846
                2p
                   -1 :              -0.00054119694612
                   +0 :              -0.00015828629772
                   +1 :              -0.00025754965297
                3p
                   -1 :               0.00024338071568
                   +0 :              -0.00005353875316
                   +1 :               0.00039317401133
                3d
                   -2 :              -0.00003477550632
                   -1 :               0.00004554164565
                   +0 :               0.00000096840331
                   +1 :               0.00005211960772
                   +2 :              -0.00001766101372
              5 vec=    10.583096      0.363243      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00001547783766
                2s
                   +0 :               0.00024223160000
                3s
                   +0 :              -0.00004236803747
                2p
                   -1 :               0.00023763677991
                   +0 :              -0.00030268127674
                   +1 :               0.00004281207166
                3p
                   -1 :              -0.00013055898558
                   +0 :               0.00025948238987
                   +1 :               0.00001991541307
                3d
                   -2 :              -0.00000789121314
                   -1 :               0.00000175887733
                   +0 :               0.00004728624716
                   +1 :              -0.00000298847715
                   +2 :              -0.00002575464193
              6 vec=    -4.977229      9.347001      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00004406453772
                2s
                   +0 :               0.00049923497634
                3s
                   +0 :              -0.00004398811243
                2p
                   -1 :               0.00013334280684
                   +0 :               0.00020116571250
                   +1 :              -0.00003649661111
                3p
                   -1 :               0.00016739808527
                   +0 :              -0.00014111258094
                   +1 :              -0.00011750886346
                3d
                   -2 :              -0.00005022539310
                   -1 :              -0.00003958328761
                   +0 :              -0.00001493496925
                   +1 :              -0.00002029140396
                   +2 :              -0.00000952361561
              7 vec=     2.802933    -13.112394      8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00001322044237
                2s
                   +0 :               0.00012981645593
                3s
                   +0 :              -0.00001742842459
                2p
                   -1 :              -0.00023244043609
                   +0 :               0.00014252039411
                   +1 :               0.00012018718833
                3p
                   -1 :               0.00011108829399
                   +0 :              -0.00008994129244
                   +1 :              -0.00005788604588
                3d
                   -2 :               0.00000255121135
                   -1 :               0.00000306606410
                   +0 :              -0.00000939959642
                   +1 :              -0.00000539849864
                   +2 :               0.00000859446896
              8 vec=   -12.757392     -4.128636      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00003004853336
                2s
                   +0 :              -0.00015884170133
                3s
                   +0 :               0.00012862458616
                2p
                   -1 :               0.00024201888030
                   +0 :              -0.00003745646094
                   +1 :               0.00011845006657
                3p
                   -1 :              -0.00017434678734
                   +0 :               0.00004930793858
                   +1 :              -0.00017863438977
                3d
                   -2 :              -0.00000259341466
                   -1 :              -0.00000400037316
                   +0 :               0.00001345230331
                   +1 :              -0.00001390196405
                   +2 :               0.00000093899180
              9 vec=    10.583096     -8.620515      8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00003238600396
                2s
                   +0 :              -0.00017673948102
                3s
                   +0 :               0.00011994929904
                2p
                   -1 :              -0.00000398703376
                   +0 :               0.00012341923765
                   +1 :              -0.00002144438917
                3p
                   -1 :              -0.00006138869436
                   +0 :              -0.00005946114207
                   +1 :               0.00001255004392
                3d
                   -2 :               0.00000076301814
                   -1 :               0.00000784584179
                   +0 :               0.00000423065017
                   +1 :              -0.00000558626631
                   +2 :              -0.00000923450158
             10 vec=   -12.757392      4.855122      8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00000402591474
                2s
                   +0 :               0.00005502490886
                3s
                   +0 :              -0.00000923840499
                2p
                   -1 :              -0.00000069835380
                   +0 :              -0.00000293071812
                   +1 :              -0.00003341433770
                3p
                   -1 :              -0.00000240237027
                   +0 :              -0.00001160011655
                   +1 :               0.00000447326307
                3d
                   -2 :              -0.00000135853423
                   -1 :               0.00000198699766
                   +0 :               0.00000184058518
                   +1 :               0.00000080753695
                   +2 :              -0.00000012396838
             11 vec=    10.583096      9.347001      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00002126999233
                2s
                   +0 :               0.00014687490871
                3s
                   +0 :              -0.00003449181366
                2p
                   -1 :               0.00009177127340
                   +0 :              -0.00002097370520
                   +1 :               0.00013526594059
                3p
                   -1 :              -0.00004571611979
                   +0 :               0.00002876500711
                   +1 :              -0.00008271365386
                3d
                   -2 :              -0.00000073224963
                   -1 :              -0.00000076171695
                   +0 :               0.00000360145484
                   +1 :               0.00000464157944
                   +2 :              -0.00000307000720
             12 vec=     2.802933     13.838880      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000657659930
                2s
                   +0 :               0.00011034039048
                3s
                   +0 :               0.00001600029117
                2p
                   -1 :               0.00008990921131
                   +0 :              -0.00007535179000
                   +1 :               0.00004496115492
                3p
                   -1 :               0.00003701205809
                   +0 :               0.00007238936733
                   +1 :               0.00000758691093
                3d
                   -2 :               0.00000413524219
                   -1 :               0.00000216919415
                   +0 :               0.00000307017477
                   +1 :               0.00000643596063
                   +2 :              -0.00000165708261
             13 vec=     2.802933     -4.128636    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00002209753605
                2s
                   +0 :              -0.00020091315870
                3s
                   +0 :               0.00003962484820
                2p
                   -1 :               0.00001473847235
                   +0 :               0.00015303751436
                   +1 :               0.00010432572641
                3p
                   -1 :              -0.00004134055066
                   +0 :              -0.00006592714683
                   +1 :              -0.00002784992467
                3d
                   -2 :               0.00000166544031
                   -1 :               0.00000596240458
                   +0 :               0.00000532445296
                   +1 :              -0.00000329847486
                   +2 :              -0.00000306781939
             14 vec=    -4.977229      0.363243    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00001935359782
                2s
                   +0 :              -0.00014847998066
                3s
                   +0 :               0.00003882679174
                2p
                   -1 :               0.00006183721205
                   +0 :               0.00012464688720
                   +1 :               0.00005586240458
                3p
                   -1 :              -0.00007468175481
                   +0 :              -0.00005053657422
                   +1 :              -0.00002063142324
                3d
                   -2 :               0.00000586658349
                   -1 :               0.00000847008129
                   +0 :               0.00000204565658
                   +1 :              -0.00000066018258
                   +2 :              -0.00000438052704
             15 vec=     2.802933      4.855122    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000608320854
                2s
                   +0 :              -0.00009307089110
                3s
                   +0 :              -0.00001601271451
                2p
                   -1 :               0.00005726170742
                   +0 :               0.00017896093829
                   +1 :              -0.00002321152172
                3p
                   -1 :              -0.00000093571649
                   +0 :              -0.00003451110507
                   +1 :              -0.00003590296201
                3d
                   -2 :               0.00000342114871
                   -1 :              -0.00000135021363
                   +0 :              -0.00000117218840
                   +1 :               0.00000923563095
                   +2 :              -0.00000483863020
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 25)  npairs=  14
              1 vec=     2.593128      1.739405      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00239563079913
                2s
                   +0 :               0.05245955660761
                3s
                   +0 :              -0.00366645835087
                2p
                   -1 :               0.01722026115045
                   +0 :               0.02526971445609
                   +1 :               0.01822342032093
                3p
                   -1 :              -0.00338002095100
                   +0 :              -0.00036499256718
                   +1 :               0.00048344768186
                3d
                   -2 :               0.00133340453214
                   -1 :               0.00213161093452
                   +0 :               0.00097135430101
                   +1 :               0.00209714789138
                   +2 :               0.00004964461826
              2 vec=    -5.187034     -2.752474      4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00226345483318
                2s
                   +0 :               0.01616386916998
                3s
                   +0 :              -0.00761116260451
                2p
                   -1 :              -0.00658549283691
                   +0 :               0.00590283124801
                   +1 :              -0.01380686185307
                3p
                   -1 :               0.00497638498004
                   +0 :              -0.00457119210153
                   +1 :               0.00972913375975
                3d
                   -2 :              -0.00064059857702
                   -1 :               0.00023380460738
                   +0 :               0.00035935208374
                   +1 :               0.00046544507706
                   +2 :              -0.00042027787606
              3 vec=     2.593128     -7.244353      4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00009767025653
                2s
                   +0 :               0.00083250995281
                3s
                   +0 :               0.00003754481060
                2p
                   -1 :              -0.00390165022044
                   +0 :              -0.00267136471704
                   +1 :               0.00380037402360
                3p
                   -1 :               0.00141236680854
                   +0 :               0.00052130966266
                   +1 :              -0.00154187064599
                3d
                   -2 :              -0.00006578379726
                   -1 :               0.00014549669657
                   +0 :              -0.00012478365137
                   +1 :              -0.00002569392937
                   +2 :              -0.00003334254487
              4 vec=    -5.187034      6.231284      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00015236016006
                2s
                   +0 :               0.00099031531381
                3s
                   +0 :              -0.00014249070193
                2p
                   -1 :               0.00218620318748
                   +0 :              -0.00185404110717
                   +1 :              -0.00003823161077
                3p
                   -1 :               0.00014499643989
                   +0 :               0.00051193098136
                   +1 :              -0.00088664368120
                3d
                   -2 :              -0.00020775860535
                   -1 :              -0.00001899998759
                   +0 :              -0.00014256751838
                   +1 :               0.00003553752544
                   +2 :              -0.00001806381311
              5 vec=    10.373291     -2.752474      4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00004408641729
                2s
                   +0 :               0.00061917469841
                3s
                   +0 :              -0.00017375788142
                2p
                   -1 :               0.00049868809761
                   +0 :              -0.00016216495779
                   +1 :               0.00065746088702
                3p
                   -1 :              -0.00054144013573
                   +0 :               0.00007048981059
                   +1 :              -0.00043736365963
                3d
                   -2 :              -0.00001516360045
                   -1 :              -0.00002578789632
                   +0 :               0.00005120290104
                   +1 :              -0.00003240638946
                   +2 :              -0.00006896991286
              6 vec=     2.593128     10.723163      4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00008382043250
                2s
                   +0 :               0.00057577840078
                3s
                   +0 :              -0.00026714303024
                2p
                   -1 :               0.00079164862925
                   +0 :              -0.00032915245752
                   +1 :              -0.00041570204821
                3p
                   -1 :              -0.00078700649849
                   +0 :               0.00014737166663
                   +1 :               0.00031693739202
                3d
                   -2 :              -0.00003945945761
                   -1 :              -0.00001001090367
                   +0 :               0.00003483022736
                   +1 :               0.00000366462639
                   +2 :               0.00005460808568
              7 vec=    10.373291      6.231284      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00000354346286
                2s
                   +0 :               0.00020033997906
                3s
                   +0 :               0.00000449174052
                2p
                   -1 :              -0.00013717402370
                   +0 :               0.00027564742118
                   +1 :              -0.00012164227705
                3p
                   -1 :               0.00011945385004
                   +0 :              -0.00015498207606
                   +1 :               0.00023227073051
                3d
                   -2 :              -0.00001334458124
                   -1 :               0.00000712978270
                   +0 :              -0.00000832754337
                   +1 :              -0.00003631705384
                   +2 :              -0.00002822772151
              8 vec=    -5.187034    -11.736232      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00001256147533
                2s
                   +0 :               0.00032258122844
                3s
                   +0 :               0.00006619479966
                2p
                   -1 :              -0.00015452447796
                   +0 :               0.00009610776645
                   +1 :               0.00001653880828
                3p
                   -1 :              -0.00014219940835
                   +0 :              -0.00006350260604
                   +1 :              -0.00016322002920
                3d
                   -2 :               0.00003518373033
                   -1 :               0.00000690017035
                   +0 :              -0.00002556347139
                   +1 :               0.00001696609048
                   +2 :              -0.00002229302637
              9 vec=   -12.967197      1.739405      4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00000118364177
                2s
                   +0 :               0.00005689280077
                3s
                   +0 :               0.00003064025236
                2p
                   -1 :               0.00021516324528
                   +0 :              -0.00014739399641
                   +1 :              -0.00008456449656
                3p
                   -1 :              -0.00015182230484
                   +0 :               0.00009973971958
                   +1 :               0.00002335834657
                3d
                   -2 :              -0.00000141329882
                   -1 :              -0.00000570363070
                   +0 :              -0.00000363923381
                   +1 :              -0.00000534574724
                   +2 :              -0.00001905632960
             10 vec=   -12.967197     -7.244353      4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00003286205545
                2s
                   +0 :               0.00020540387587
                3s
                   +0 :              -0.00005546869614
                2p
                   -1 :              -0.00005767806218
                   +0 :               0.00006980038584
                   +1 :              -0.00017571861598
                3p
                   -1 :               0.00002402167633
                   +0 :              -0.00007157043279
                   +1 :               0.00007214558925
                3d
                   -2 :               0.00001152952716
                   -1 :              -0.00000298063891
                   +0 :              -0.00001277375607
                   +1 :               0.00001093601788
                   +2 :               0.00001520258345
             11 vec=    10.373291    -11.736232      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000876385124
                2s
                   +0 :               0.00007353480854
                3s
                   +0 :               0.00000671537880
                2p
                   -1 :              -0.00001027899950
                   +0 :              -0.00003954135298
                   +1 :               0.00005973725135
                3p
                   -1 :              -0.00001524185685
                   +0 :               0.00002005967484
                   +1 :               0.00001095991772
                3d
                   -2 :               0.00000278414512
                   -1 :               0.00000074624291
                   +0 :              -0.00001078132171
                   +1 :               0.00000810820545
                   +2 :               0.00000593574681
             12 vec=    -5.187034     15.215042      4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00001868448338
                2s
                   +0 :              -0.00010718380852
                3s
                   +0 :               0.00005768967054
                2p
                   -1 :              -0.00006270722982
                   +0 :               0.00000399602646
                   +1 :               0.00009854247575
                3p
                   -1 :               0.00006223792751
                   +0 :              -0.00003118056596
                   +1 :              -0.00006485626530
                3d
                   -2 :              -0.00000243199667
                   -1 :              -0.00000182353266
                   +0 :              -0.00000726496646
                   +1 :              -0.00000288716145
                   +2 :              -0.00000200452074
             13 vec=     2.593128    -16.228111      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00000417546358
                2s
                   +0 :               0.00003816804413
                3s
                   +0 :              -0.00000498255680
                2p
                   -1 :              -0.00000569834757
                   +0 :              -0.00009586666854
                   +1 :               0.00005376274888
                3p
                   -1 :              -0.00000990363692
                   +0 :               0.00007049042953
                   +1 :              -0.00006171935154
                3d
                   -2 :              -0.00000212005274
                   -1 :               0.00000066710570
                   +0 :               0.00000392967053
                   +1 :              -0.00000350765311
                   +2 :              -0.00000473350465
             14 vec=   -12.967197     10.723163      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00000275942461
                2s
                   +0 :               0.00001845922854
                3s
                   +0 :              -0.00000544170858
                2p
                   -1 :              -0.00005642594978
                   +0 :               0.00004025178887
                   +1 :              -0.00006169036190
                3p
                   -1 :               0.00002237492258
                   +0 :              -0.00005756024195
                   +1 :               0.00002632323573
                3d
                   -2 :               0.00000143136094
                   -1 :               0.00000025270204
                   +0 :              -0.00000246525646
                   +1 :              -0.00000040951773
                   +2 :              -0.00000119709248
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 26)  npairs=  14
              1 vec=    -2.174037      1.739405      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00259842268062
                2s
                   +0 :               0.08085146435550
                3s
                   +0 :              -0.00472444533662
                2p
                   -1 :               0.02460621459202
                   +0 :               0.04408312154496
                   +1 :              -0.02772694573518
                3p
                   -1 :              -0.00267364869762
                   +0 :              -0.00608429433990
                   +1 :               0.00386974705903
                3d
                   -2 :              -0.00214249378930
                   -1 :               0.00105757185846
                   +0 :               0.00095365296862
                   +1 :              -0.00124371453068
                   +2 :               0.00027504057736
              2 vec=     5.606126     -2.752474      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00042681697190
                2s
                   +0 :               0.00316796508943
                3s
                   +0 :              -0.00150797431355
                2p
                   -1 :              -0.00315705899239
                   +0 :               0.00182099775323
                   +1 :               0.00183620601998
                3p
                   -1 :               0.00220743920218
                   +0 :              -0.00071342324139
                   +1 :              -0.00049129970354
                3d
                   -2 :               0.00016327668024
                   -1 :               0.00011781239582
                   +0 :               0.00038870290257
                   +1 :              -0.00004886324139
                   +2 :              -0.00015855990650
              3 vec=    -2.174037     -7.244353      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00026010979844
                2s
                   +0 :               0.00117864581530
                3s
                   +0 :              -0.00088941815758
                2p
                   -1 :              -0.00239202270604
                   +0 :              -0.00353892632446
                   +1 :              -0.00205028761265
                3p
                   -1 :               0.00196398633416
                   +0 :               0.00057511930651
                   +1 :              -0.00008475467177
                3d
                   -2 :               0.00015021693966
                   -1 :               0.00027999421605
                   +0 :              -0.00001193291923
                   +1 :               0.00004720989536
                   +2 :               0.00012611352863
              4 vec=     5.606126      6.231284      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00023762727804
                2s
                   +0 :               0.00168887487746
                3s
                   +0 :              -0.00056438187167
                2p
                   -1 :               0.00206236642947
                   +0 :               0.00041555790354
                   +1 :               0.00152020648352
                3p
                   -1 :              -0.00043344036144
                   +0 :              -0.00124259123382
                   +1 :              -0.00089765761835
                3d
                   -2 :               0.00003790000915
                   -1 :              -0.00012040747182
                   +0 :              -0.00002359383331
                   +1 :              -0.00010414720526
                   +2 :              -0.00004925575553
              5 vec=    -9.954199     -2.752474      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00018932592220
                2s
                   +0 :              -0.00085909629583
                3s
                   +0 :               0.00043904306065
                2p
                   -1 :               0.00065299646734
                   +0 :               0.00093576781862
                   +1 :              -0.00109821488266
                3p
                   -1 :              -0.00055429521359
                   +0 :              -0.00100920837406
                   +1 :               0.00086524056287
                3d
                   -2 :              -0.00000387697640
                   -1 :              -0.00002508881334
                   +0 :               0.00008561127177
                   +1 :               0.00005017209110
                   +2 :              -0.00012897792836
              6 vec=    -2.174037     10.723163      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00004293119423
                2s
                   +0 :               0.00026417651733
                3s
                   +0 :              -0.00004238126234
                2p
                   -1 :               0.00055394966815
                   +0 :               0.00009826460681
                   +1 :               0.00027388107668
                3p
                   -1 :              -0.00057120229684
                   +0 :              -0.00020113410956
                   +1 :              -0.00018437512587
                3d
                   -2 :               0.00001776596425
                   -1 :               0.00003567448384
                   +0 :              -0.00000262729925
                   +1 :              -0.00000289996204
                   +2 :               0.00001274289835
              7 vec=    -9.954199      6.231284      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001177365234
                2s
                   +0 :               0.00023979911897
                3s
                   +0 :              -0.00002548116454
                2p
                   -1 :              -0.00030643570261
                   +0 :               0.00009106648966
                   +1 :              -0.00040889078833
                3p
                   -1 :               0.00008805858500
                   +0 :               0.00003820106379
                   +1 :               0.00024154126995
                3d
                   -2 :               0.00000699911978
                   -1 :              -0.00001303528415
                   +0 :               0.00002297449368
                   +1 :               0.00001529888875
                   +2 :               0.00000930082497
              8 vec=     5.606126    -11.736232      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00000782975790
                2s
                   +0 :               0.00034404228300
                3s
                   +0 :               0.00014111675935
                2p
                   -1 :               0.00001923102667
                   +0 :              -0.00000668526737
                   +1 :               0.00028805107655
                3p
                   -1 :              -0.00041367722426
                   +0 :               0.00010885590903
                   +1 :               0.00001118324214
                3d
                   -2 :              -0.00004212328035
                   -1 :              -0.00002949990125
                   +0 :              -0.00001225385226
                   +1 :               0.00000841653241
                   +2 :              -0.00003860662327
              9 vec=    13.386289      1.739405      4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00000190276671
                2s
                   +0 :               0.00009512761657
                3s
                   +0 :               0.00006952048535
                2p
                   -1 :              -0.00013717414283
                   +0 :              -0.00005148557155
                   +1 :              -0.00000568878395
                3p
                   -1 :               0.00012262575618
                   +0 :               0.00004596917611
                   +1 :               0.00018948413970
                3d
                   -2 :               0.00000892055547
                   -1 :              -0.00001534834640
                   +0 :              -0.00002945981814
                   +1 :               0.00001130209179
                   +2 :               0.00002397838230
             10 vec=    13.386289     -7.244353      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000473799217
                2s
                   +0 :               0.00003794620979
                3s
                   +0 :               0.00001451950908
                2p
                   -1 :              -0.00007226305486
                   +0 :               0.00001587725995
                   +1 :              -0.00000269238936
                3p
                   -1 :               0.00004027924003
                   +0 :              -0.00001086147743
                   +1 :               0.00007605120266
                3d
                   -2 :               0.00000378235070
                   -1 :               0.00000103587748
                   +0 :               0.00000269376224
                   +1 :              -0.00000401348193
                   +2 :               0.00000297148019
             11 vec=    -9.954199    -11.736232      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00005863041581
                2s
                   +0 :               0.00037412368429
                3s
                   +0 :              -0.00016062255263
                2p
                   -1 :              -0.00010144288214
                   +0 :               0.00016387669054
                   +1 :              -0.00008583975741
                3p
                   -1 :               0.00005670086658
                   +0 :              -0.00017071517336
                   +1 :               0.00002637657298
                3d
                   -2 :              -0.00000250707466
                   -1 :               0.00002182710523
                   +0 :              -0.00000923263196
                   +1 :               0.00001317858201
                   +2 :               0.00000753462217
             12 vec=     5.606126     15.215042      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00002202621693
                2s
                   +0 :              -0.00013696869480
                3s
                   +0 :               0.00007899800036
                2p
                   -1 :              -0.00001219421300
                   +0 :              -0.00006774524296
                   +1 :              -0.00003093455290
                3p
                   -1 :               0.00001862760029
                   +0 :               0.00004177580782
                   +1 :               0.00000513146135
                3d
                   -2 :               0.00000245764020
                   -1 :               0.00000207086781
                   +0 :              -0.00000166089298
                   +1 :              -0.00000122969792
                   +2 :               0.00000193013612
             13 vec=    -2.174037    -16.228111      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00000775383569
                2s
                   +0 :               0.00007367797699
                3s
                   +0 :              -0.00001023734349
                2p
                   -1 :              -0.00000437521471
                   +0 :              -0.00005714928003
                   +1 :              -0.00005222148754
                3p
                   -1 :              -0.00003994451434
                   +0 :               0.00003282870083
                   +1 :               0.00004549688017
                3d
                   -2 :              -0.00000108989955
                   -1 :              -0.00000649138523
                   +0 :               0.00000117489559
                   +1 :              -0.00000565747919
                   +2 :              -0.00001008362584
             14 vec=    13.386289     10.723163      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00000482544278
                2s
                   +0 :               0.00004808245666
                3s
                   +0 :              -0.00000899342793
                2p
                   -1 :              -0.00000904971241
                   +0 :              -0.00001354862179
                   +1 :               0.00005812656718
                3p
                   -1 :               0.00000516527644
                   +0 :               0.00000710178109
                   +1 :              -0.00002572098250
                3d
                   -2 :              -0.00000399146942
                   -1 :               0.00000021646567
                   +0 :               0.00000081098534
                   +1 :              -0.00000013134472
                   +2 :               0.00000492438008
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 27)  npairs=  14
              1 vec=     0.209546     -3.115867      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00227188180907
                2s
                   +0 :               0.05938638045860
                3s
                   +0 :              -0.00335479044857
                2p
                   -1 :              -0.02550904330351
                   +0 :               0.02398289723649
                   +1 :              -0.00174529064177
                3p
                   -1 :              -0.00092774579564
                   +0 :               0.00290786062582
                   +1 :               0.00460545392564
                3d
                   -2 :              -0.00006645565143
                   -1 :              -0.00315011042623
                   +0 :               0.00147237506206
                   +1 :              -0.00043588947836
                   +2 :              -0.00107610196180
              2 vec=     0.209546      5.867891      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00007479280922
                2s
                   +0 :              -0.00140512297453
                3s
                   +0 :               0.00046221169087
                2p
                   -1 :              -0.00008803170444
                   +0 :               0.00159139744874
                   +1 :              -0.00073837007026
                3p
                   -1 :               0.00097078288646
                   +0 :              -0.00127808547696
                   +1 :               0.00067271406521
                3d
                   -2 :               0.00000605556769
                   -1 :              -0.00019236472128
                   +0 :              -0.00032332148433
                   +1 :               0.00005688509620
                   +2 :               0.00010241676900
              3 vec=    -7.570617      1.376012      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00027127331431
                2s
                   +0 :              -0.00285788199942
                3s
                   +0 :               0.00097884983599
                2p
                   -1 :              -0.00254083556452
                   +0 :              -0.00342202109307
                   +1 :               0.00075559795145
                3p
                   -1 :               0.00101896238723
                   +0 :               0.00083244588775
                   +1 :              -0.00086551373446
                3d
                   -2 :               0.00005293390735
                   -1 :               0.00016856845519
                   +0 :              -0.00010805376330
                   +1 :               0.00013933762479
                   +2 :               0.00007361416428
              4 vec=     7.989708      1.376012      4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00013495611657
                2s
                   +0 :              -0.00064314499477
                3s
                   +0 :               0.00051520169433
                2p
                   -1 :               0.00102131976356
                   +0 :              -0.00104629268559
                   +1 :               0.00252946927716
                3p
                   -1 :              -0.00149098172461
                   +0 :               0.00001524806061
                   +1 :              -0.00132875627614
                3d
                   -2 :              -0.00015308932455
                   -1 :              -0.00001716748628
                   +0 :               0.00000433306272
                   +1 :              -0.00012920405887
                   +2 :               0.00003652896785
              5 vec=    -7.570617     -7.607746      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00025976325312
                2s
                   +0 :              -0.00144305314031
                3s
                   +0 :               0.00084970340310
                2p
                   -1 :               0.00119732998775
                   +0 :               0.00052196260721
                   +1 :               0.00018069299429
                3p
                   -1 :              -0.00111844712011
                   +0 :              -0.00050864091063
                   +1 :              -0.00024718298519
                3d
                   -2 :               0.00003434099746
                   -1 :               0.00002818729666
                   +0 :              -0.00004476026152
                   +1 :               0.00001183582426
                   +2 :              -0.00006784788571
              6 vec=     7.989708     -7.607746      4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00001838443367
                2s
                   +0 :               0.00009596678465
                3s
                   +0 :               0.00013126668374
                2p
                   -1 :              -0.00018265833015
                   +0 :              -0.00012757591437
                   +1 :               0.00021031289181
                3p
                   -1 :               0.00008008726949
                   +0 :               0.00003836600144
                   +1 :               0.00002468306143
                3d
                   -2 :              -0.00000990341439
                   -1 :               0.00000461381882
                   +0 :              -0.00001505191775
                   +1 :               0.00000069388716
                   +2 :               0.00000088863996
              7 vec=     0.209546    -12.099625      4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00001718489440
                2s
                   +0 :               0.00004237955321
                3s
                   +0 :               0.00013485359568
                2p
                   -1 :               0.00028892746573
                   +0 :              -0.00003842480206
                   +1 :              -0.00027741792605
                3p
                   -1 :              -0.00029517622529
                   +0 :               0.00016527026346
                   +1 :               0.00011600938937
                3d
                   -2 :              -0.00000331006178
                   -1 :              -0.00001349419819
                   +0 :              -0.00004082055496
                   +1 :              -0.00003369600329
                   +2 :               0.00000073870927
              8 vec=    -7.570617     10.359770      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00007886966394
                2s
                   +0 :               0.00086458844150
                3s
                   +0 :              -0.00019950054474
                2p
                   -1 :               0.00071935101467
                   +0 :              -0.00019886830003
                   +1 :              -0.00034254584062
                3p
                   -1 :              -0.00026701098494
                   +0 :               0.00014127113526
                   +1 :               0.00009100515963
                3d
                   -2 :              -0.00002918752235
                   -1 :               0.00002487929245
                   +0 :              -0.00001917568854
                   +1 :               0.00000431264176
                   +2 :               0.00001510857190
              9 vec=     7.989708     10.359770      4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00002247646767
                2s
                   +0 :               0.00014144607809
                3s
                   +0 :               0.00014732852714
                2p
                   -1 :               0.00042174090936
                   +0 :               0.00005527087922
                   +1 :               0.00021052443371
                3p
                   -1 :              -0.00008118046776
                   +0 :              -0.00007395265568
                   +1 :              -0.00005673038056
                3d
                   -2 :               0.00001907579940
                   -1 :              -0.00001734361206
                   +0 :              -0.00000998376058
                   +1 :              -0.00002577057041
                   +2 :              -0.00001001310303
             10 vec=     0.209546     14.851649      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00004372374914
                2s
                   +0 :              -0.00023609406653
                3s
                   +0 :               0.00012771627844
                2p
                   -1 :              -0.00013098956239
                   +0 :              -0.00003779496222
                   +1 :               0.00003164737267
                3p
                   -1 :               0.00013575003335
                   +0 :               0.00001398583962
                   +1 :              -0.00003728571787
                3d
                   -2 :              -0.00000340554923
                   -1 :               0.00000193613085
                   +0 :               0.00000179782154
                   +1 :              -0.00000305153195
                   +2 :              -0.00000919363900
             11 vec=   -15.350780     -3.115867      4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00000393575173
                2s
                   +0 :              -0.00001028188318
                3s
                   +0 :               0.00005056041409
                2p
                   -1 :              -0.00005350520554
                   +0 :              -0.00006229701562
                   +1 :               0.00018410536618
                3p
                   -1 :               0.00005751907527
                   +0 :               0.00003603388795
                   +1 :              -0.00023574605270
                3d
                   -2 :              -0.00000674487002
                   -1 :               0.00000206775473
                   +0 :              -0.00000597890733
                   +1 :              -0.00000682388701
                   +2 :               0.00002652062226
             12 vec=    15.769871     -3.115867      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00000168227461
                2s
                   +0 :               0.00000777575673
                3s
                   +0 :               0.00001931572890
                2p
                   -1 :               0.00012153060928
                   +0 :              -0.00005129136923
                   +1 :              -0.00009082729127
                3p
                   -1 :              -0.00010739533740
                   +0 :               0.00002278469466
                   +1 :               0.00012160614265
                3d
                   -2 :              -0.00000411069589
                   -1 :               0.00000270349220
                   +0 :              -0.00000917428418
                   +1 :               0.00000045326791
                   +2 :               0.00000704511096
             13 vec=   -15.350780      5.867891      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00001102530551
                2s
                   +0 :               0.00007708977329
                3s
                   +0 :              -0.00003678711370
                2p
                   -1 :               0.00005054862434
                   +0 :               0.00002648692884
                   +1 :              -0.00001944507974
                3p
                   -1 :              -0.00003284930947
                   +0 :              -0.00004045766531
                   +1 :              -0.00001495022939
                3d
                   -2 :               0.00000666508554
                   -1 :              -0.00000796542935
                   +0 :              -0.00000593078165
                   +1 :               0.00000330131065
                   +2 :               0.00000082938701
             14 vec=    15.769871      5.867891      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00000006579904
                2s
                   +0 :               0.00001893489132
                3s
                   +0 :               0.00001265516881
                2p
                   -1 :               0.00007332617616
                   +0 :              -0.00005666463220
                   +1 :               0.00001502544363
                3p
                   -1 :              -0.00004727257032
                   +0 :               0.00003211705862
                   +1 :               0.00001455746532
                3d
                   -2 :               0.00000505599305
                   -1 :              -0.00000215121177
                   +0 :               0.00000285485901
                   +1 :              -0.00000078357324
                   +2 :               0.00000076973330
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 28)  npairs=  15
              1 vec=    -2.174555     -4.491729     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00033042418397
                2s
                   +0 :              -0.00253832315625
                3s
                   +0 :               0.00034691004296
                2p
                   -1 :               0.00085149911772
                   +0 :               0.00351722886183
                   +1 :               0.00108410913980
                3p
                   -1 :              -0.00013804425362
                   +0 :              -0.00056459972894
                   +1 :               0.00137341961651
                3d
                   -2 :              -0.00013023245384
                   -1 :              -0.00003835806911
                   +0 :              -0.00013813936239
                   +1 :              -0.00034793722919
                   +2 :              -0.00011884222195
              2 vec=    -2.174555      4.492029     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00030292344229
                2s
                   +0 :              -0.00347657525058
                3s
                   +0 :               0.00017816165175
                2p
                   -1 :              -0.00285907666396
                   +0 :               0.00361082393985
                   +1 :              -0.00353162327045
                3p
                   -1 :               0.00013994314912
                   +0 :              -0.00034222534675
                   +1 :               0.00172875630583
                3d
                   -2 :              -0.00009354537403
                   -1 :               0.00011398064198
                   +0 :              -0.00002422756619
                   +1 :              -0.00006215727963
                   +2 :               0.00001246223485
              3 vec=     5.605607      0.000150     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00029170423655
                2s
                   +0 :              -0.00279628296420
                3s
                   +0 :               0.00006291452835
                2p
                   -1 :               0.00175593898090
                   +0 :               0.00142176509014
                   +1 :              -0.00209974670817
                3p
                   -1 :              -0.00037233067748
                   +0 :               0.00101375093277
                   +1 :               0.00015816406685
                3d
                   -2 :               0.00007528930135
                   -1 :              -0.00019117607373
                   +0 :              -0.00012084083948
                   +1 :               0.00005239237848
                   +2 :               0.00001960413872
              4 vec=    -9.954718      0.000150     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00011927719077
                2s
                   +0 :              -0.00102118179064
                3s
                   +0 :               0.00046958468269
                2p
                   -1 :              -0.00003290038728
                   +0 :              -0.00015808835848
                   +1 :               0.00062616078381
                3p
                   -1 :              -0.00023901653882
                   +0 :              -0.00006519004526
                   +1 :              -0.00047501706796
                3d
                   -2 :               0.00004444246678
                   -1 :               0.00003590774351
                   +0 :              -0.00000152302593
                   +1 :               0.00006978895402
                   +2 :               0.00003307322284
              5 vec=     5.605607     -8.983608     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00004698435544
                2s
                   +0 :              -0.00058975369368
                3s
                   +0 :               0.00007505761857
                2p
                   -1 :               0.00029700695161
                   +0 :               0.00000958154603
                   +1 :              -0.00004377076539
                3p
                   -1 :               0.00004643416487
                   +0 :              -0.00006082472979
                   +1 :              -0.00002998229019
                3d
                   -2 :               0.00000906571159
                   -1 :              -0.00000314346291
                   +0 :               0.00001245697913
                   +1 :              -0.00002494979211
                   +2 :               0.00001050719152
              6 vec=     5.605607      8.983908     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00000958758746
                2s
                   +0 :              -0.00019047787044
                3s
                   +0 :               0.00000583163496
                2p
                   -1 :               0.00010145352449
                   +0 :              -0.00025987432426
                   +1 :              -0.00024672084625
                3p
                   -1 :              -0.00011240001325
                   +0 :               0.00020889072657
                   +1 :               0.00012697177873
                3d
                   -2 :               0.00002098084244
                   -1 :              -0.00000910364358
                   +0 :              -0.00004148677137
                   +1 :               0.00000270147517
                   +2 :               0.00000970966916
              7 vec=    -9.954718     -8.983608     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00003365239115
                2s
                   +0 :               0.00019931193860
                3s
                   +0 :              -0.00015363218655
                2p
                   -1 :              -0.00002528440951
                   +0 :              -0.00012690688897
                   +1 :              -0.00029604335880
                3p
                   -1 :               0.00010734192322
                   +0 :               0.00013823849544
                   +1 :               0.00025965827007
                3d
                   -2 :              -0.00000143713826
                   -1 :              -0.00001263258756
                   +0 :              -0.00000370467690
                   +1 :              -0.00001092550334
                   +2 :               0.00001066967299
              8 vec=    -9.954718      8.983908     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00001092067304
                2s
                   +0 :              -0.00013880661886
                3s
                   +0 :               0.00001946524812
                2p
                   -1 :              -0.00018001334167
                   +0 :               0.00010772451556
                   +1 :               0.00016825247237
                3p
                   -1 :               0.00008446715768
                   +0 :              -0.00005570458896
                   +1 :              -0.00009134964464
                3d
                   -2 :              -0.00000458049043
                   -1 :              -0.00000357319694
                   +0 :               0.00000994872556
                   +1 :              -0.00000352830553
                   +2 :               0.00000227416915
              9 vec=    -2.174555    -13.475487     -8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00000528740490
                2s
                   +0 :              -0.00003645872049
                3s
                   +0 :               0.00001043822905
                2p
                   -1 :               0.00004529001632
                   +0 :              -0.00002890862368
                   +1 :              -0.00009444536008
                3p
                   -1 :              -0.00003675744993
                   +0 :               0.00002521057974
                   +1 :               0.00009222977259
                3d
                   -2 :              -0.00000581583180
                   -1 :              -0.00000194016124
                   +0 :              -0.00000235106124
                   +1 :               0.00000281885190
                   +2 :              -0.00000090775647
             10 vec=    -2.174555     13.475787     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00001951464554
                2s
                   +0 :               0.00008845432987
                3s
                   +0 :              -0.00009115714696
                2p
                   -1 :              -0.00002407036814
                   +0 :               0.00008280069304
                   +1 :               0.00002219772250
                3p
                   -1 :              -0.00003788327374
                   +0 :              -0.00006299783364
                   +1 :               0.00004596431995
                3d
                   -2 :               0.00000695724041
                   -1 :              -0.00001220956039
                   +0 :              -0.00000395697695
                   +1 :               0.00000349208582
                   +2 :               0.00000307908313
             11 vec=    13.385770     -4.491729     -8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00000458027109
                2s
                   +0 :               0.00001168423111
                3s
                   +0 :              -0.00002996270339
                2p
                   -1 :               0.00003724199655
                   +0 :              -0.00013823860222
                   +1 :              -0.00004208992566
                3p
                   -1 :              -0.00002141161029
                   +0 :               0.00012057470579
                   +1 :              -0.00002170597353
                3d
                   -2 :              -0.00000227450062
                   -1 :               0.00000327901338
                   +0 :              -0.00000793433319
                   +1 :               0.00000683972457
                   +2 :              -0.00000282243189
             12 vec=    13.385770      4.492029     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00000788435038
                2s
                   +0 :              -0.00005770142039
                3s
                   +0 :              -0.00000685717404
                2p
                   -1 :              -0.00004673447813
                   +0 :              -0.00005168623499
                   +1 :              -0.00007644291512
                3p
                   -1 :               0.00003292362671
                   +0 :               0.00004836851971
                   +1 :               0.00002322082262
                3d
                   -2 :               0.00000295781416
                   -1 :               0.00000238696870
                   +0 :               0.00000030876497
                   +1 :               0.00000132571042
                   +2 :              -0.00000507260365
             13 vec=    -2.174555     -4.491729     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00004038386839
                2s
                   +0 :               0.00027358080749
                3s
                   +0 :              -0.00012200265404
                2p
                   -1 :              -0.00015842801824
                   +0 :               0.00025842966673
                   +1 :              -0.00008644225687
                3p
                   -1 :               0.00010266795130
                   +0 :              -0.00016637077627
                   +1 :               0.00006589344078
                3d
                   -2 :               0.00000104363211
                   -1 :               0.00000359212607
                   +0 :              -0.00000761462627
                   +1 :               0.00000418416164
                   +2 :              -0.00000239970417
             14 vec=    -2.174555      4.492029     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00002907016918
                2s
                   +0 :               0.00029941242019
                3s
                   +0 :              -0.00004985419208
                2p
                   -1 :              -0.00007832322575
                   +0 :               0.00021304984876
                   +1 :              -0.00004498798497
                3p
                   -1 :               0.00003093057305
                   +0 :              -0.00005845644416
                   +1 :               0.00001889837353
                3d
                   -2 :               0.00000194082414
                   -1 :              -0.00000151061140
                   +0 :               0.00000049888493
                   +1 :              -0.00000083406476
                   +2 :               0.00000442207813
             15 vec=     5.605607      0.000150     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00001986685143
                2s
                   +0 :               0.00019853220251
                3s
                   +0 :              -0.00001690782372
                2p
                   -1 :               0.00001041291479
                   +0 :               0.00012305850177
                   +1 :               0.00001833907736
                3p
                   -1 :               0.00004600415149
                   +0 :               0.00002553896060
                   +1 :               0.00001849952965
                3d
                   -2 :               0.00000187197162
                   -1 :               0.00001080670906
                   +0 :               0.00000831972588
                   +1 :               0.00000394311397
                   +2 :              -0.00000280963210
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 29)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00032608195637
                2s
                   +0 :              -0.00323151901782
                3s
                   +0 :               0.00054562153467
                2p
                   -1 :               0.00210938763678
                   +0 :               0.00244300964206
                   +1 :               0.00133740328757
                3p
                   -1 :               0.00009932977847
                   +0 :              -0.00050205663775
                   +1 :               0.00014247484118
                3d
                   -2 :              -0.00010913528945
                   -1 :              -0.00015185463392
                   +0 :              -0.00000164734284
                   +1 :              -0.00011097047639
                   +2 :               0.00002344876315
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00058014966254
                2s
                   +0 :              -0.00563981703687
                3s
                   +0 :               0.00088419188704
                2p
                   -1 :               0.00157540066187
                   +0 :               0.00747049248651
                   +1 :              -0.00417566961658
                3p
                   -1 :              -0.00002089723293
                   +0 :              -0.00139509346501
                   +1 :               0.00086996231186
                3d
                   -2 :               0.00013315634942
                   -1 :              -0.00016649902306
                   +0 :              -0.00019166666879
                   +1 :               0.00025523386242
                   +2 :              -0.00014221698159
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00017920793819
                2s
                   +0 :              -0.00152655715303
                3s
                   +0 :              -0.00012676511102
                2p
                   -1 :              -0.00042584294260
                   +0 :               0.00059730259868
                   +1 :               0.00219717092708
                3p
                   -1 :              -0.00111650051296
                   +0 :               0.00102605428338
                   +1 :              -0.00124726089737
                3d
                   -2 :               0.00002082044768
                   -1 :               0.00023481106956
                   +0 :              -0.00004448807964
                   +1 :              -0.00003437322498
                   +2 :               0.00004060397634
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001357379861
                2s
                   +0 :              -0.00005151762392
                3s
                   +0 :              -0.00003188121710
                2p
                   -1 :               0.00007924362906
                   +0 :              -0.00039669056353
                   +1 :               0.00053460840954
                3p
                   -1 :               0.00007484431629
                   +0 :               0.00018333513761
                   +1 :              -0.00057820046596
                3d
                   -2 :               0.00003606266502
                   -1 :               0.00000708561740
                   +0 :              -0.00002891704653
                   +1 :               0.00003315674372
                   +2 :              -0.00001094740103
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000250937062
                2s
                   +0 :              -0.00014539071101
                3s
                   +0 :              -0.00006180953526
                2p
                   -1 :              -0.00003975469675
                   +0 :              -0.00040456692877
                   +1 :               0.00033504557094
                3p
                   -1 :               0.00006241724179
                   +0 :               0.00036438332228
                   +1 :              -0.00017392537364
                3d
                   -2 :              -0.00000918457563
                   -1 :               0.00001467796023
                   +0 :              -0.00003025754621
                   +1 :               0.00001646072848
                   +2 :              -0.00000244681983
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001189951697
                2s
                   +0 :              -0.00039631057552
                3s
                   +0 :               0.00004209004264
                2p
                   -1 :              -0.00033600320205
                   +0 :              -0.00040528488421
                   +1 :              -0.00021309169604
                3p
                   -1 :               0.00017726832455
                   +0 :               0.00016371086209
                   +1 :              -0.00003154569004
                3d
                   -2 :              -0.00000307091960
                   -1 :              -0.00002258083059
                   +0 :               0.00003394319224
                   +1 :              -0.00000719378080
                   +2 :              -0.00002919872345
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00002624321674
                2s
                   +0 :               0.00013604872315
                3s
                   +0 :              -0.00010987339381
                2p
                   -1 :              -0.00013273055378
                   +0 :              -0.00000956428013
                   +1 :              -0.00018476194954
                3p
                   -1 :               0.00009039174176
                   +0 :               0.00002364399848
                   +1 :               0.00023494388885
                3d
                   -2 :               0.00000014481591
                   -1 :               0.00000550253304
                   +0 :               0.00002520826415
                   +1 :              -0.00001508865597
                   +2 :              -0.00001834761725
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000808094880
                2s
                   +0 :              -0.00000526426782
                3s
                   +0 :              -0.00002241369332
                2p
                   -1 :               0.00004122373906
                   +0 :               0.00010867411000
                   +1 :              -0.00003316735008
                3p
                   -1 :              -0.00003638695338
                   +0 :              -0.00007734971026
                   +1 :               0.00007178538655
                3d
                   -2 :              -0.00000209538240
                   -1 :               0.00000045964278
                   +0 :               0.00000002649907
                   +1 :               0.00000750957483
                   +2 :               0.00000133990535
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000716137433
                2s
                   +0 :              -0.00003965682870
                3s
                   +0 :               0.00001596539398
                2p
                   -1 :               0.00008178935832
                   +0 :              -0.00003196314518
                   +1 :               0.00006226212001
                3p
                   -1 :              -0.00004961277895
                   +0 :               0.00001056581185
                   +1 :              -0.00005370966943
                3d
                   -2 :               0.00000065952221
                   -1 :               0.00000472186094
                   +0 :               0.00000137688619
                   +1 :               0.00000310631450
                   +2 :               0.00000060076295
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000072783513
                2s
                   +0 :               0.00000614118046
                3s
                   +0 :              -0.00002863362717
                2p
                   -1 :               0.00008041466973
                   +0 :              -0.00009071366090
                   +1 :              -0.00006948878339
                3p
                   -1 :              -0.00002105362860
                   +0 :               0.00005577375638
                   +1 :               0.00002981513374
                3d
                   -2 :               0.00000347673790
                   -1 :              -0.00000251977860
                   +0 :              -0.00001086806217
                   +1 :              -0.00000193808373
                   +2 :              -0.00000203104673
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001828175188
                2s
                   +0 :              -0.00018931724650
                3s
                   +0 :               0.00005796164501
                2p
                   -1 :              -0.00016508719847
                   +0 :               0.00015222574449
                   +1 :               0.00005095964244
                3p
                   -1 :               0.00006201733777
                   +0 :              -0.00011332082561
                   +1 :              -0.00010227874576
                3d
                   -2 :              -0.00001469833863
                   -1 :              -0.00001960216795
                   +0 :               0.00000738310367
                   +1 :              -0.00000810756610
                   +2 :              -0.00001708438247
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000313838850
                2s
                   +0 :              -0.00006855668559
                3s
                   +0 :               0.00000310763434
                2p
                   -1 :              -0.00022718565206
                   +0 :               0.00001292054787
                   +1 :              -0.00006830849991
                3p
                   -1 :               0.00015631921141
                   +0 :               0.00000400172617
                   +1 :               0.00003168395236
                3d
                   -2 :               0.00000415525573
                   -1 :               0.00000002904036
                   +0 :               0.00000058373303
                   +1 :               0.00000312183960
                   +2 :              -0.00000584397620
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000527260476
                2s
                   +0 :               0.00009759720918
                3s
                   +0 :               0.00000063193046
                2p
                   -1 :               0.00003190115878
                   +0 :               0.00007742356716
                   +1 :               0.00008542815919
                3p
                   -1 :              -0.00002357042846
                   +0 :               0.00002561904434
                   +1 :              -0.00010353520798
                3d
                   -2 :               0.00000446043302
                   -1 :               0.00000216653349
                   +0 :              -0.00000331163546
                   +1 :              -0.00000654846567
                   +2 :               0.00000508367926
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00003426807211
                2s
                   +0 :               0.00028611388829
                3s
                   +0 :              -0.00007601781288
                2p
                   -1 :               0.00004242450141
                   +0 :               0.00015644227047
                   +1 :              -0.00003133460572
                3p
                   -1 :              -0.00006219368513
                   +0 :              -0.00005180068283
                   +1 :              -0.00000346842532
                3d
                   -2 :               0.00000137942799
                   -1 :              -0.00000406713585
                   +0 :              -0.00000444937333
                   +1 :              -0.00000168656528
                   +2 :              -0.00000668339423
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00003577616614
                2s
                   +0 :               0.00031500271558
                3s
                   +0 :              -0.00006099002734
                2p
                   -1 :               0.00002396089737
                   +0 :               0.00015804570868
                   +1 :               0.00008196072977
                3p
                   -1 :              -0.00002791617179
                   +0 :               0.00002705245797
                   +1 :              -0.00000878689576
                3d
                   -2 :              -0.00000253070874
                   -1 :              -0.00000667193521
                   +0 :               0.00000776571730
                   +1 :               0.00000712232299
                   +2 :              -0.00000358464113
WF             site_B          number of pairs
WF( 19)=[O_5_2pz]  to site O ( 30)  npairs=  14
              1 vec=     0.209546      0.362644     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00034455087279
                2s
                   +0 :              -0.00038821264475
                3s
                   +0 :               0.00127682494947
                2p
                   -1 :              -0.00165853362898
                   +0 :               0.00392726886290
                   +1 :               0.00165220834843
                3p
                   -1 :               0.00101211851258
                   +0 :              -0.00372535000814
                   +1 :              -0.00085410926592
                3d
                   -2 :              -0.00001486934304
                   -1 :               0.00008784939262
                   +0 :               0.00075755505519
                   +1 :              -0.00011207209441
                   +2 :               0.00011911399873
              2 vec=    -7.570617     -4.129235     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00024385891768
                2s
                   +0 :               0.00102105816498
                3s
                   +0 :              -0.00083819134265
                2p
                   -1 :               0.00124365765014
                   +0 :              -0.00122307207277
                   +1 :               0.00096018348504
                3p
                   -1 :              -0.00083191073800
                   +0 :               0.00095711839540
                   +1 :              -0.00043489833890
                3d
                   -2 :               0.00004003084751
                   -1 :              -0.00000824415819
                   +0 :              -0.00004909347274
                   +1 :               0.00004381849753
                   +2 :               0.00002915095872
              3 vec=     0.209546     -8.621114     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00005634630801
                2s
                   +0 :               0.00016717746465
                3s
                   +0 :              -0.00015437276767
                2p
                   -1 :               0.00052324701132
                   +0 :               0.00051585300273
                   +1 :               0.00030458822951
                3p
                   -1 :              -0.00027739471950
                   +0 :              -0.00039986201306
                   +1 :              -0.00025724595334
                3d
                   -2 :               0.00004353744634
                   -1 :               0.00001277602099
                   +0 :               0.00004218982641
                   +1 :               0.00004367623794
                   +2 :              -0.00001956584452
              4 vec=    -7.570617      4.854523     -8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00006832993338
                2s
                   +0 :              -0.00052151450514
                3s
                   +0 :               0.00027468772288
                2p
                   -1 :              -0.00068360389949
                   +0 :              -0.00017214063236
                   +1 :               0.00055665010810
                3p
                   -1 :               0.00044415567974
                   +0 :               0.00006346231086
                   +1 :              -0.00016001111637
                3d
                   -2 :              -0.00002729558469
                   -1 :              -0.00001338111831
                   +0 :              -0.00002446866515
                   +1 :               0.00001041367908
                   +2 :               0.00002370289378
              5 vec=     7.989708     -4.129235     -8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00002427789333
                2s
                   +0 :              -0.00037207652497
                3s
                   +0 :              -0.00015208151559
                2p
                   -1 :              -0.00000651891542
                   +0 :              -0.00046653434112
                   +1 :              -0.00018403514551
                3p
                   -1 :               0.00018091696488
                   +0 :               0.00011646640169
                   +1 :              -0.00019068950347
                3d
                   -2 :               0.00002785097290
                   -1 :              -0.00002053755109
                   +0 :               0.00004052682339
                   +1 :               0.00001169402272
                   +2 :              -0.00000263413453
              6 vec=     0.209546      9.346402     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00000984947285
                2s
                   +0 :              -0.00057386590724
                3s
                   +0 :               0.00003332839218
                2p
                   -1 :              -0.00089005919522
                   +0 :               0.00063456688017
                   +1 :               0.00004587511676
                3p
                   -1 :               0.00037292244963
                   +0 :              -0.00060343593938
                   +1 :              -0.00010587722341
                3d
                   -2 :              -0.00003427665441
                   -1 :              -0.00000710822501
                   +0 :               0.00001143107944
                   +1 :              -0.00000087977167
                   +2 :               0.00001559452412
              7 vec=     7.989708      4.854523     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00002377630033
                2s
                   +0 :              -0.00025778012287
                3s
                   +0 :               0.00005284868479
                2p
                   -1 :              -0.00012858955799
                   +0 :              -0.00038420287835
                   +1 :              -0.00086474204855
                3p
                   -1 :              -0.00003091694628
                   +0 :               0.00043075256973
                   +1 :               0.00051181724214
                3d
                   -2 :               0.00003285393408
                   -1 :              -0.00000498118641
                   +0 :              -0.00006188043136
                   +1 :               0.00001964935364
                   +2 :               0.00002125550974
              8 vec=     0.209546      0.362644     16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000552385354
                2s
                   +0 :               0.00007155019354
                3s
                   +0 :               0.00000849178079
                2p
                   -1 :               0.00001380472241
                   +0 :              -0.00002386930132
                   +1 :              -0.00009356043294
                3p
                   -1 :              -0.00002779766919
                   +0 :               0.00008989076751
                   +1 :               0.00009920432092
                3d
                   -2 :              -0.00000463901221
                   -1 :              -0.00000369206034
                   +0 :               0.00001063222552
                   +1 :               0.00000313433214
                   +2 :               0.00000982852132
              9 vec=    -7.570617    -13.112993     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00000767488312
                2s
                   +0 :               0.00004522329543
                3s
                   +0 :              -0.00005882166295
                2p
                   -1 :               0.00002544554421
                   +0 :               0.00006517788354
                   +1 :               0.00006698298085
                3p
                   -1 :               0.00001846555415
                   +0 :              -0.00004670329557
                   +1 :              -0.00003979467089
                3d
                   -2 :              -0.00000183674798
                   -1 :               0.00000153299067
                   +0 :               0.00000766128372
                   +1 :               0.00000657770707
                   +2 :               0.00000435350454
             10 vec=   -15.350780      0.362644     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000801223080
                2s
                   +0 :              -0.00008949783614
                3s
                   +0 :               0.00001100884514
                2p
                   -1 :               0.00010596073819
                   +0 :               0.00003045191571
                   +1 :               0.00000105434448
                3p
                   -1 :              -0.00007685034188
                   +0 :               0.00000708966295
                   +1 :               0.00004473484931
                3d
                   -2 :               0.00000287130709
                   -1 :              -0.00000080229256
                   +0 :               0.00000507517146
                   +1 :              -0.00000613727566
                   +2 :              -0.00000488990054
             11 vec=     7.989708    -13.112993     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00001380974603
                2s
                   +0 :              -0.00012210775343
                3s
                   +0 :               0.00002454022416
                2p
                   -1 :               0.00013539626850
                   +0 :               0.00001338172965
                   +1 :              -0.00005567788319
                3p
                   -1 :              -0.00005974905724
                   +0 :               0.00002197066640
                   +1 :              -0.00000379185615
                3d
                   -2 :               0.00000341031799
                   -1 :              -0.00000105613616
                   +0 :              -0.00000100386666
                   +1 :               0.00000196976757
                   +2 :              -0.00000398729138
             12 vec=    -7.570617     13.838281     -8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00001430871081
                2s
                   +0 :              -0.00010824613959
                3s
                   +0 :               0.00002182925441
                2p
                   -1 :              -0.00000584702058
                   +0 :               0.00001975205480
                   +1 :               0.00001656978006
                3p
                   -1 :              -0.00003608135781
                   +0 :               0.00002932937865
                   +1 :              -0.00002251155362
                3d
                   -2 :               0.00000025274617
                   -1 :               0.00000100371898
                   +0 :              -0.00000217250762
                   +1 :               0.00000171745828
                   +2 :               0.00000177035910
             13 vec=    15.769871      0.362644     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000048652031
                2s
                   +0 :              -0.00003720903002
                3s
                   +0 :              -0.00001974704864
                2p
                   -1 :               0.00000864451649
                   +0 :               0.00002994639287
                   +1 :              -0.00003603662056
                3p
                   -1 :               0.00000382710658
                   +0 :               0.00001028791330
                   +1 :              -0.00003141598277
                3d
                   -2 :               0.00000512207327
                   -1 :              -0.00000470413760
                   +0 :              -0.00000301141554
                   +1 :               0.00000698166247
                   +2 :              -0.00000382173383
             14 vec=     7.989708     13.838281     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000424933747
                2s
                   +0 :               0.00000169773063
                3s
                   +0 :              -0.00001423776067
                2p
                   -1 :              -0.00001039926168
                   +0 :               0.00004894445376
                   +1 :               0.00003354502072
                3p
                   -1 :              -0.00001573997400
                   +0 :              -0.00003752287013
                   +1 :              -0.00003509961117
                3d
                   -2 :               0.00000338446219
                   -1 :              -0.00000272308872
                   +0 :               0.00000141201867
                   +1 :               0.00000112420968
                   +2 :               0.00000149305986
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al(  1)  npairs=  13
              1 vec=    -2.383842     -1.376312     -9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00021308170156
                2p
                   -1 :              -0.00024763039130
                   +0 :              -0.00013482761531
                   +1 :              -0.00005687828652
                3s
                   +0 :               0.00015833800762
                4s
                   +0 :              -0.00013036216282
                3p
                   -1 :               0.00080032034975
                   +0 :               0.00011323160046
                   +1 :              -0.00067792783606
                4p
                   -1 :              -0.00037482645645
                   +0 :               0.00004848799320
                   +1 :               0.00006348448305
                3d
                   -2 :              -0.00051155856247
                   -1 :               0.00007763130424
                   +0 :               0.00004492651869
                   +1 :               0.00017776020063
                   +2 :               0.00015518925932
              2 vec=     5.396321      3.115567     -9.763049   |vec|=   11.582062
                2s
                   +0 :              -0.00039576926123
                2p
                   -1 :              -0.00037364095054
                   +0 :               0.00015386563150
                   +1 :              -0.00001511663219
                3s
                   +0 :               0.00155716780424
                4s
                   +0 :              -0.00070955132892
                3p
                   -1 :               0.00160898622352
                   +0 :              -0.00118466401883
                   +1 :               0.00034484466745
                4p
                   -1 :              -0.00028483919419
                   +0 :               0.00050180987924
                   +1 :              -0.00020176074443
                3d
                   -2 :               0.00010553650931
                   -1 :              -0.00039368594787
                   +0 :               0.00024243241491
                   +1 :              -0.00001494033328
                   +2 :              -0.00026571928306
              3 vec=    -2.383842      7.607446     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00000581463133
                2p
                   -1 :              -0.00007637289730
                   +0 :              -0.00001526934420
                   +1 :              -0.00003354883382
                3s
                   +0 :              -0.00130704199498
                4s
                   +0 :               0.00002075794291
                3p
                   -1 :              -0.00097277997616
                   +0 :               0.00045436920807
                   +1 :               0.00048660430407
                4p
                   -1 :              -0.00002190134766
                   +0 :              -0.00004454885173
                   +1 :              -0.00007945402543
                3d
                   -2 :               0.00009633398463
                   -1 :               0.00032075647983
                   +0 :               0.00014740373497
                   +1 :              -0.00010806836255
                   +2 :               0.00042738118713
              4 vec=     5.396321     -5.868191     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00005133166344
                2p
                   -1 :              -0.00012871163910
                   +0 :              -0.00010961658209
                   +1 :               0.00025411494274
                3s
                   +0 :              -0.00027609589868
                4s
                   +0 :               0.00024786747695
                3p
                   -1 :               0.00085622109049
                   +0 :               0.00072310132184
                   +1 :              -0.00102525122727
                4p
                   -1 :              -0.00032020995233
                   +0 :              -0.00038843530299
                   +1 :               0.00015957932045
                3d
                   -2 :               0.00005286424112
                   -1 :              -0.00019039727783
                   +0 :               0.00000814434943
                   +1 :               0.00008847982179
                   +2 :               0.00015796211218
              5 vec=   -10.164004      3.115567     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00002117853032
                2p
                   -1 :               0.00007578210323
                   +0 :              -0.00002123503086
                   +1 :              -0.00007814556391
                3s
                   +0 :              -0.00023020478156
                4s
                   +0 :               0.00020058979628
                3p
                   -1 :              -0.00036855586995
                   +0 :               0.00016865272309
                   +1 :               0.00040087202433
                4p
                   -1 :               0.00013317362768
                   +0 :              -0.00008669271168
                   +1 :              -0.00015731809927
                3d
                   -2 :               0.00010156117927
                   -1 :               0.00010535655110
                   +0 :              -0.00004769600387
                   +1 :              -0.00002656420736
                   +2 :              -0.00000223615267
              6 vec=    -2.383842    -10.360070     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00012277038445
                2p
                   -1 :               0.00004225912839
                   +0 :              -0.00002903488933
                   +1 :               0.00008630117249
                3s
                   +0 :              -0.00027421578075
                4s
                   +0 :               0.00006386231163
                3p
                   -1 :              -0.00038609520217
                   +0 :               0.00004430888457
                   +1 :              -0.00044850650331
                4p
                   -1 :               0.00013900468889
                   +0 :               0.00001299232497
                   +1 :               0.00004520909414
                3d
                   -2 :               0.00015182192501
                   -1 :               0.00009404021040
                   +0 :              -0.00002152310821
                   +1 :               0.00014548359979
                   +2 :              -0.00018279005505
              7 vec=    -2.383842     -1.376312     14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00003055088618
                2p
                   -1 :              -0.00002693389445
                   +0 :              -0.00000658224806
                   +1 :              -0.00001659031791
                3s
                   +0 :              -0.00000957629325
                4s
                   +0 :              -0.00000089028508
                3p
                   -1 :               0.00002549935686
                   +0 :              -0.00004106050402
                   +1 :               0.00009540483467
                4p
                   -1 :               0.00003515472503
                   +0 :               0.00000929895880
                   +1 :              -0.00004103268427
                3d
                   -2 :              -0.00010646812503
                   -1 :               0.00000115243177
                   +0 :              -0.00003634590132
                   +1 :               0.00004188780488
                   +2 :               0.00005339313700
              8 vec=   -10.164004     -5.868191     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00032481263603
                2p
                   -1 :               0.00017851950387
                   +0 :               0.00014808523368
                   +1 :               0.00011872235765
                3s
                   +0 :               0.00102808129805
                4s
                   +0 :              -0.00024798470968
                3p
                   -1 :              -0.00102683603839
                   +0 :              -0.00066650492174
                   +1 :              -0.00051891241263
                4p
                   -1 :               0.00027643933795
                   +0 :               0.00013437649348
                   +1 :               0.00005931875568
                3d
                   -2 :               0.00021766361026
                   -1 :               0.00017086037642
                   +0 :              -0.00001488639406
                   +1 :               0.00022945140613
                   +2 :               0.00005757417519
              9 vec=     5.396321      3.115567     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00009327393386
                2p
                   -1 :               0.00001157898319
                   +0 :              -0.00001712879768
                   +1 :              -0.00002550052214
                3s
                   +0 :               0.00023723137023
                4s
                   +0 :              -0.00001797260798
                3p
                   -1 :              -0.00011794998287
                   +0 :              -0.00003965928669
                   +1 :              -0.00000076295523
                4p
                   -1 :               0.00001551495865
                   +0 :               0.00005894370447
                   +1 :               0.00000544254462
                3d
                   -2 :               0.00003025661172
                   -1 :              -0.00002831016649
                   +0 :              -0.00010312535117
                   +1 :              -0.00002321908816
                   +2 :               0.00001693986999
             10 vec=     5.396321     12.099325     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00002464628890
                2p
                   -1 :              -0.00001521226165
                   +0 :               0.00001401206386
                   +1 :              -0.00000987198253
                3s
                   +0 :               0.00016343259902
                4s
                   +0 :              -0.00001846127163
                3p
                   -1 :               0.00014122475860
                   +0 :              -0.00010952476533
                   +1 :              -0.00002233528914
                4p
                   -1 :              -0.00002175886695
                   +0 :               0.00000756374600
                   +1 :               0.00001923416115
                3d
                   -2 :              -0.00000471264707
                   -1 :              -0.00004346941001
                   +0 :               0.00001611422908
                   +1 :              -0.00000239249606
                   +2 :              -0.00003174059758
             11 vec=    13.176483     -1.376312     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00009730330169
                2p
                   -1 :              -0.00005276932662
                   +0 :              -0.00000464338867
                   +1 :               0.00010722479593
                3s
                   +0 :              -0.00017274433971
                4s
                   +0 :               0.00007828421223
                3p
                   -1 :               0.00017859868556
                   +0 :              -0.00005672546422
                   +1 :              -0.00041579931039
                4p
                   -1 :              -0.00001890860750
                   +0 :               0.00001873243721
                   +1 :               0.00009280635495
                3d
                   -2 :               0.00001468569017
                   -1 :              -0.00002554771447
                   +0 :               0.00002796757336
                   +1 :               0.00001329419351
                   +2 :              -0.00005676341111
             12 vec=    -2.383842      7.607446     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00001126119184
                2p
                   -1 :               0.00002900401312
                   +0 :               0.00000526511671
                   +1 :               0.00001105729198
                3s
                   +0 :               0.00015444287965
                4s
                   +0 :              -0.00003819260675
                3p
                   -1 :              -0.00015061986402
                   +0 :               0.00004716006104
                   +1 :              -0.00017175798472
                4p
                   -1 :               0.00002473273827
                   +0 :              -0.00000626295741
                   +1 :               0.00000676032373
                3d
                   -2 :              -0.00003694252759
                   -1 :               0.00002363410484
                   +0 :              -0.00000032346921
                   +1 :              -0.00005804887593
                   +2 :              -0.00005402829608
             13 vec=     5.396321     -5.868191     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00008615415208
                2p
                   -1 :               0.00000593135136
                   +0 :              -0.00001809792536
                   +1 :              -0.00000875534861
                3s
                   +0 :               0.00038707980060
                4s
                   +0 :              -0.00009277477492
                3p
                   -1 :              -0.00012417674915
                   +0 :               0.00013778040707
                   +1 :               0.00002666391187
                4p
                   -1 :               0.00000208484274
                   +0 :              -0.00001819417073
                   +1 :              -0.00001305681704
                3d
                   -2 :              -0.00003140371583
                   -1 :              -0.00005942786541
                   +0 :              -0.00001053461186
                   +1 :               0.00003092368306
                   +2 :              -0.00004442491932
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al(  2)  npairs=  14
              1 vec=    -2.383842     -1.376312     -2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.02119677468032
                2p
                   -1 :               0.01379237919582
                   +0 :               0.01901551213595
                   +1 :               0.01719188581301
                3s
                   +0 :              -0.06225641525377
                4s
                   +0 :              -0.00906951400078
                3p
                   -1 :               0.01468426804378
                   +0 :               0.05425892454645
                   +1 :               0.02049285268237
                4p
                   -1 :               0.00916574669982
                   +0 :               0.00805272991921
                   +1 :               0.00894006774393
                3d
                   -2 :              -0.01852947337731
                   -1 :              -0.02735591844695
                   +0 :              -0.01961672525126
                   +1 :              -0.02929659032458
                   +2 :               0.00059909467551
              2 vec=     5.396321      3.115567     -2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00363486113885
                2p
                   -1 :              -0.00233816920263
                   +0 :               0.00146158975840
                   +1 :              -0.00175880554176
                3s
                   +0 :               0.01063339094715
                4s
                   +0 :              -0.00808389208822
                3p
                   -1 :               0.00898546195719
                   +0 :              -0.00466182952028
                   +1 :               0.00266525114238
                4p
                   -1 :              -0.00378389872270
                   +0 :               0.00250904019360
                   +1 :              -0.00298394966943
                3d
                   -2 :              -0.00000348766439
                   -1 :              -0.00144538411619
                   +0 :               0.00070770694496
                   +1 :              -0.00053674740764
                   +2 :               0.00001837694168
              3 vec=    -2.383842      7.607446     -2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00026792330677
                2p
                   -1 :              -0.00013473006738
                   +0 :               0.00012852440399
                   +1 :              -0.00038546332273
                3s
                   +0 :              -0.00294541156202
                4s
                   +0 :               0.00009694601876
                3p
                   -1 :              -0.00017297393552
                   +0 :               0.00141029140532
                   +1 :               0.00066631329092
                4p
                   -1 :              -0.00021749485373
                   +0 :               0.00021259034637
                   +1 :              -0.00024148315341
                3d
                   -2 :               0.00024884024530
                   -1 :               0.00071606032315
                   +0 :              -0.00076212217930
                   +1 :               0.00031502994176
                   +2 :              -0.00035744030218
              4 vec=     5.396321     -5.868191     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00086976793826
                2p
                   -1 :              -0.00019256622888
                   +0 :               0.00035766768417
                   +1 :              -0.00082856148228
                3s
                   +0 :               0.00319196654251
                4s
                   +0 :               0.00189467230415
                3p
                   -1 :               0.00600719337140
                   +0 :              -0.00440183259381
                   +1 :               0.00456809783672
                4p
                   -1 :              -0.00300131046308
                   +0 :              -0.00005321302086
                   +1 :              -0.00008660772609
                3d
                   -2 :               0.00103769726326
                   -1 :              -0.00106045714493
                   +0 :               0.00133941596379
                   +1 :              -0.00107484951890
                   +2 :               0.00152899630759
              5 vec=   -10.164004      3.115567     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00060072986691
                2p
                   -1 :               0.00013046325077
                   +0 :              -0.00005607416809
                   +1 :               0.00024038755912
                3s
                   +0 :               0.00064848712850
                4s
                   +0 :               0.00045186996771
                3p
                   -1 :              -0.00131024583085
                   +0 :               0.00014194914507
                   +1 :               0.00001491652653
                4p
                   -1 :               0.00043058506498
                   +0 :              -0.00018479092685
                   +1 :              -0.00045898112369
                3d
                   -2 :               0.00029921249908
                   -1 :               0.00038476861754
                   +0 :               0.00003106879146
                   +1 :              -0.00002662410981
                   +2 :              -0.00010327127691
              6 vec=    -2.383842    -10.360070     -2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00031511168436
                2p
                   -1 :              -0.00003314337282
                   +0 :              -0.00003162599314
                   +1 :               0.00007842573455
                3s
                   +0 :              -0.00063971064510
                4s
                   +0 :               0.00045081263547
                3p
                   -1 :              -0.00031229410965
                   +0 :              -0.00012107092658
                   +1 :              -0.00078754167266
                4p
                   -1 :              -0.00001567709575
                   +0 :               0.00002617246097
                   +1 :               0.00018012739302
                3d
                   -2 :               0.00019708579493
                   -1 :               0.00002786814539
                   +0 :               0.00015791113363
                   +1 :               0.00001465718001
                   +2 :              -0.00006696396473
              7 vec=   -10.164004     -5.868191     -2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00031167633218
                2p
                   -1 :               0.00010802777382
                   +0 :               0.00011768739655
                   +1 :               0.00009887335280
                3s
                   +0 :               0.00048223775697
                4s
                   +0 :              -0.00037167489885
                3p
                   -1 :              -0.00032878735506
                   +0 :               0.00006634309568
                   +1 :              -0.00021192014900
                4p
                   -1 :               0.00001029283446
                   +0 :               0.00012768792901
                   +1 :               0.00020011623822
                3d
                   -2 :               0.00012717829370
                   -1 :              -0.00005652102095
                   +0 :              -0.00011653114808
                   +1 :              -0.00015499993632
                   +2 :              -0.00053704513961
              8 vec=     5.396321     12.099325     -2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00002569027740
                2p
                   -1 :               0.00000444364726
                   +0 :              -0.00005346785346
                   +1 :               0.00005524496950
                3s
                   +0 :               0.00055488081436
                4s
                   +0 :              -0.00005558024208
                3p
                   -1 :               0.00034672177398
                   +0 :              -0.00024451493643
                   +1 :              -0.00050171315777
                4p
                   -1 :              -0.00004672106678
                   +0 :              -0.00006964641482
                   +1 :               0.00016333818057
                3d
                   -2 :              -0.00010804321565
                   -1 :              -0.00010169171284
                   +0 :               0.00017553828271
                   +1 :               0.00010520289626
                   +2 :              -0.00007618688217
              9 vec=    13.176483     -1.376312     -2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00011626528680
                2p
                   -1 :              -0.00039285583289
                   +0 :              -0.00026813292955
                   +1 :               0.00005150921995
                3s
                   +0 :               0.00044712064100
                4s
                   +0 :               0.00018022449628
                3p
                   -1 :               0.00161230277761
                   +0 :               0.00019238189320
                   +1 :               0.00020790584027
                4p
                   -1 :              -0.00054707611742
                   +0 :              -0.00011949858266
                   +1 :               0.00005186724995
                3d
                   -2 :               0.00032039518741
                   -1 :               0.00016054360089
                   +0 :               0.00015758509987
                   +1 :              -0.00002993228984
                   +2 :               0.00021148505036
             10 vec=    13.176483      7.607446     -2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00001579635606
                2p
                   -1 :               0.00000925581192
                   +0 :              -0.00000650314897
                   +1 :              -0.00001013703579
                3s
                   +0 :               0.00009752327720
                4s
                   +0 :              -0.00007333010724
                3p
                   -1 :               0.00004465396511
                   +0 :               0.00003147452078
                   +1 :               0.00010259559880
                4p
                   -1 :              -0.00006505423235
                   +0 :              -0.00003017985810
                   +1 :              -0.00004454245396
                3d
                   -2 :               0.00002948946122
                   -1 :               0.00002598214321
                   +0 :               0.00001720971585
                   +1 :              -0.00001693264398
                   +2 :              -0.00001081850735
             11 vec=   -10.164004     12.099325     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00003383492468
                2p
                   -1 :              -0.00003791088827
                   +0 :               0.00004308496264
                   +1 :              -0.00000827563296
                3s
                   +0 :              -0.00002992334691
                4s
                   +0 :              -0.00002545459834
                3p
                   -1 :               0.00018440008749
                   +0 :              -0.00020280307186
                   +1 :               0.00007483094109
                4p
                   -1 :              -0.00005377347744
                   +0 :               0.00006364549088
                   +1 :              -0.00002600076168
                3d
                   -2 :              -0.00002244487813
                   -1 :              -0.00001431182412
                   +0 :              -0.00002928677571
                   +1 :               0.00003902243451
                   +2 :               0.00000380610666
             12 vec=     5.396321    -14.851949     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00000465263591
                2p
                   -1 :               0.00002789015051
                   +0 :              -0.00002121356364
                   +1 :              -0.00004021426524
                3s
                   +0 :              -0.00010509269646
                4s
                   +0 :              -0.00005160721918
                3p
                   -1 :              -0.00009487942153
                   +0 :               0.00018739015149
                   +1 :               0.00015177827423
                4p
                   -1 :               0.00006593615281
                   +0 :              -0.00003932481768
                   +1 :              -0.00004354346730
                3d
                   -2 :              -0.00005866412318
                   -1 :               0.00001605620108
                   +0 :              -0.00001341447975
                   +1 :               0.00011238901782
                   +2 :              -0.00003780818444
             13 vec=    -2.383842     16.591204     -2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00002669591200
                2p
                   -1 :              -0.00001872009448
                   +0 :               0.00001106867833
                   +1 :               0.00000568984387
                3s
                   +0 :               0.00006078956858
                4s
                   +0 :              -0.00002101335889
                3p
                   -1 :               0.00008959498206
                   +0 :              -0.00005128532918
                   +1 :              -0.00002277066373
                4p
                   -1 :              -0.00002761178238
                   +0 :               0.00001251292163
                   +1 :               0.00000355724787
                3d
                   -2 :               0.00000614779483
                   -1 :              -0.00001183891471
                   +0 :              -0.00001203294631
                   +1 :              -0.00001000714345
                   +2 :              -0.00000234394463
             14 vec=    13.176483    -10.360070     -2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00003252702454
                2p
                   -1 :               0.00001628602015
                   +0 :              -0.00000833525910
                   +1 :               0.00000827714193
                3s
                   +0 :               0.00023825809455
                4s
                   +0 :              -0.00011446436152
                3p
                   -1 :              -0.00011489625406
                   +0 :              -0.00003694258832
                   +1 :               0.00001629073776
                4p
                   -1 :               0.00002727020369
                   +0 :               0.00002061370433
                   +1 :              -0.00003441093072
                3d
                   -2 :              -0.00001838169083
                   -1 :               0.00000893353124
                   +0 :               0.00001368097078
                   +1 :              -0.00002603183737
                   +2 :               0.00000789545980
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Cr(  3)  npairs=  13
              1 vec=    -2.383842     -1.376312      9.763049   |vec|=   10.143671
                3s
                   +0 :              -0.00071096001012
                3p
                   -1 :               0.00003669727628
                   +0 :              -0.00016103040033
                   +1 :               0.00045704822090
                4s
                   +0 :               0.00115247081031
                5s
                   +0 :              -0.00011703130817
                3d
                   -2 :              -0.00095489999533
                   -1 :               0.00020604589314
                   +0 :               0.00015216854506
                   +1 :               0.00086227506023
                   +2 :              -0.00099757413334
                4d
                   -2 :               0.00034174592995
                   -1 :              -0.00004909764059
                   +0 :              -0.00005731531803
                   +1 :              -0.00010814477272
                   +2 :               0.00064207478979
                4p
                   -1 :               0.00009156803589
                   +0 :               0.00020206619149
                   +1 :              -0.00016606772946
              2 vec=     5.396321      3.115567      9.763049   |vec|=   11.582062
                3s
                   +0 :               0.00004299616167
                3p
                   -1 :              -0.00017745158788
                   +0 :               0.00005527721874
                   +1 :              -0.00005420626146
                4s
                   +0 :              -0.00041363300987
                5s
                   +0 :               0.00011292696145
                3d
                   -2 :              -0.00041163396380
                   -1 :              -0.00028874346644
                   +0 :              -0.00004678961677
                   +1 :               0.00004445578388
                   +2 :               0.00033122834764
                4d
                   -2 :               0.00027051910819
                   -1 :               0.00000710851767
                   +0 :              -0.00036680828832
                   +1 :              -0.00009189634674
                   +2 :              -0.00029454924359
                4p
                   -1 :               0.00027473637097
                   +0 :              -0.00037960162844
                   +1 :               0.00003528134787
              3 vec=    -2.383842      7.607446      9.763049   |vec|=   12.604486
                3s
                   +0 :               0.00004619987659
                3p
                   -1 :               0.00042978725576
                   +0 :               0.00011761068303
                   +1 :               0.00010864530212
                4s
                   +0 :               0.00095872184592
                5s
                   +0 :              -0.00007955781735
                3d
                   -2 :               0.00019382545000
                   -1 :               0.00059739203870
                   +0 :              -0.00048608621777
                   +1 :               0.00025269438367
                   +2 :              -0.00097021685660
                4d
                   -2 :              -0.00000008280203
                   -1 :               0.00001574939781
                   +0 :              -0.00003855225111
                   +1 :              -0.00018511539857
                   +2 :               0.00000085745308
                4p
                   -1 :               0.00038626826108
                   +0 :               0.00012577257308
                   +1 :              -0.00015455489566
              4 vec=     5.396321     -5.868191      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00022258498203
                3p
                   -1 :               0.00012169938833
                   +0 :              -0.00006359053498
                   +1 :              -0.00010394517240
                4s
                   +0 :               0.00057484174264
                5s
                   +0 :              -0.00005294803687
                3d
                   -2 :               0.00007765020285
                   -1 :               0.00009756731968
                   +0 :              -0.00006533502555
                   +1 :              -0.00014584412421
                   +2 :               0.00012703938009
                4d
                   -2 :              -0.00038152384594
                   -1 :              -0.00023291809673
                   +0 :               0.00004548117711
                   +1 :               0.00037840872513
                   +2 :               0.00006413235594
                4p
                   -1 :              -0.00033355053785
                   +0 :               0.00019945634476
                   +1 :               0.00031483907684
              5 vec=   -10.164004      3.115567      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00029902114892
                3p
                   -1 :              -0.00010278700430
                   +0 :              -0.00008391833652
                   +1 :               0.00002924170208
                4s
                   +0 :               0.00051467839201
                5s
                   +0 :              -0.00001932767401
                3d
                   -2 :               0.00006660800304
                   -1 :              -0.00003076091004
                   +0 :              -0.00001231473613
                   +1 :              -0.00007887891467
                   +2 :               0.00012085826097
                4d
                   -2 :               0.00008762976683
                   -1 :               0.00008479168395
                   +0 :              -0.00001011739412
                   +1 :               0.00000314558525
                   +2 :              -0.00013817726403
                4p
                   -1 :               0.00016006860926
                   +0 :               0.00012692012796
                   +1 :              -0.00004670435090
              6 vec=    -2.383842    -10.360070      9.763049   |vec|=   14.433671
                3s
                   +0 :               0.00007761444830
                3p
                   -1 :               0.00000231877743
                   +0 :               0.00000269440971
                   +1 :              -0.00022927664015
                4s
                   +0 :              -0.00009523075004
                5s
                   +0 :              -0.00004918934725
                3d
                   -2 :              -0.00007703535188
                   -1 :               0.00006917874784
                   +0 :               0.00007014249680
                   +1 :               0.00002666629414
                   +2 :              -0.00004555338407
                4d
                   -2 :              -0.00022302209674
                   -1 :              -0.00006017298687
                   +0 :               0.00004721547388
                   +1 :               0.00029892267306
                   +2 :              -0.00014253966841
                4p
                   -1 :              -0.00004230113900
                   +0 :              -0.00001786021221
                   +1 :               0.00055367404287
              7 vec=    -2.383842     -1.376312    -14.784494   |vec|=   15.038557
                3s
                   +0 :               0.00009488161888
                3p
                   -1 :              -0.00000053271755
                   +0 :              -0.00004504871218
                   +1 :               0.00006008973064
                4s
                   +0 :              -0.00013859342492
                5s
                   +0 :               0.00001392843731
                3d
                   -2 :               0.00012832719662
                   -1 :              -0.00006533406435
                   +0 :               0.00003687117512
                   +1 :              -0.00003918635982
                   +2 :              -0.00007587395281
                4d
                   -2 :               0.00000571361588
                   -1 :               0.00001552261588
                   +0 :               0.00000639375419
                   +1 :               0.00001234281604
                   +2 :               0.00010243015817
                4p
                   -1 :               0.00003122261232
                   +0 :               0.00002600191523
                   +1 :              -0.00011253598738
              8 vec=   -10.164004     -5.868191      9.763049   |vec|=   15.266295
                3s
                   +0 :               0.00039795613702
                3p
                   -1 :              -0.00010872190710
                   +0 :               0.00017921794364
                   +1 :              -0.00020184384040
                4s
                   +0 :              -0.00085287309680
                5s
                   +0 :               0.00007631363674
                3d
                   -2 :               0.00022967562416
                   -1 :              -0.00023910069484
                   +0 :              -0.00004492891881
                   +1 :              -0.00045951562222
                   +2 :               0.00037279426855
                4d
                   -2 :              -0.00013250882887
                   -1 :               0.00020825444188
                   +0 :              -0.00004376797674
                   +1 :               0.00036147933219
                   +2 :              -0.00020977658703
                4p
                   -1 :               0.00020202132860
                   +0 :              -0.00037189309188
                   +1 :               0.00044817042185
              9 vec=     5.396321      3.115567    -14.784494   |vec|=   16.043949
                3s
                   +0 :               0.00005742237602
                3p
                   -1 :              -0.00001115389609
                   +0 :              -0.00004429829588
                   +1 :               0.00005488791200
                4s
                   +0 :              -0.00020482252442
                5s
                   +0 :               0.00003551477970
                3d
                   -2 :               0.00004071374367
                   -1 :              -0.00008088878153
                   +0 :               0.00013024101033
                   +1 :              -0.00014470573718
                   +2 :               0.00003896850215
                4d
                   -2 :              -0.00000659576966
                   -1 :               0.00000571815091
                   +0 :              -0.00004565860002
                   +1 :               0.00004256708324
                   +2 :               0.00000163503253
                4p
                   -1 :               0.00004376638337
                   +0 :               0.00010573052879
                   +1 :              -0.00006091670058
             10 vec=     5.396321     12.099325      9.763049   |vec|=   16.456946
                3s
                   +0 :              -0.00009955763350
                3p
                   -1 :              -0.00007354038079
                   +0 :              -0.00001069047190
                   +1 :               0.00000902705890
                4s
                   +0 :               0.00015358317856
                5s
                   +0 :              -0.00000388251086
                3d
                   -2 :               0.00004283765496
                   -1 :              -0.00017201129349
                   +0 :               0.00000433390032
                   +1 :               0.00001991566856
                   +2 :               0.00014768652988
                4d
                   -2 :              -0.00005161926657
                   -1 :              -0.00001026933263
                   +0 :              -0.00003469887570
                   +1 :              -0.00001479819213
                   +2 :              -0.00004051664177
                4p
                   -1 :               0.00011102441599
                   +0 :              -0.00001301728461
                   +1 :              -0.00000246803639
             11 vec=    13.176483     -1.376312      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00003373014542
                3p
                   -1 :               0.00002432161452
                   +0 :              -0.00000412267407
                   +1 :              -0.00003043812858
                4s
                   +0 :              -0.00019560679838
                5s
                   +0 :               0.00003132348212
                3d
                   -2 :               0.00027111366792
                   -1 :               0.00013268834207
                   +0 :               0.00007964793110
                   +1 :              -0.00021391501658
                   +2 :              -0.00006545935215
                4d
                   -2 :               0.00004408198622
                   -1 :               0.00003696114723
                   +0 :              -0.00000057696674
                   +1 :              -0.00003408334375
                   +2 :               0.00000024491811
                4p
                   -1 :               0.00001932104773
                   +0 :              -0.00003060250107
                   +1 :              -0.00003622752423
             12 vec=    -2.383842      7.607446    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00002369999968
                3p
                   -1 :               0.00000209435606
                   +0 :               0.00003933368418
                   +1 :               0.00004849659972
                4s
                   +0 :              -0.00003783549998
                5s
                   +0 :               0.00000473376828
                3d
                   -2 :               0.00007867470725
                   -1 :               0.00004269117537
                   +0 :              -0.00016067667250
                   +1 :              -0.00016176411780
                   +2 :               0.00006413396801
                4d
                   -2 :               0.00003294867515
                   -1 :               0.00003856016618
                   +0 :               0.00001102822319
                   +1 :              -0.00001778032042
                   +2 :               0.00001726510899
                4p
                   -1 :              -0.00004742284636
                   +0 :               0.00002176281318
                   +1 :              -0.00005234270260
             13 vec=     5.396321     -5.868191    -14.784494   |vec|=   16.796940
                3s
                   +0 :               0.00006007588744
                3p
                   -1 :               0.00007508299994
                   +0 :              -0.00000056558519
                   +1 :               0.00000159035641
                4s
                   +0 :              -0.00011607509974
                5s
                   +0 :              -0.00001511485140
                3d
                   -2 :               0.00010593484183
                   -1 :              -0.00020586041171
                   +0 :              -0.00007813526876
                   +1 :              -0.00001692713584
                   +2 :               0.00009728943839
                4d
                   -2 :              -0.00000997221194
                   -1 :               0.00003644256664
                   +0 :               0.00006087197921
                   +1 :              -0.00002876929587
                   +2 :               0.00002081259435
                4p
                   -1 :              -0.00010302982854
                   +0 :              -0.00000098619652
                   +1 :               0.00000502349981
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al(  4)  npairs=  14
              1 vec=    -2.383842     -1.376312      2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.01820584388159
                2p
                   -1 :               0.00960348467927
                   +0 :              -0.01830403163188
                   +1 :               0.01713738277015
                3s
                   +0 :              -0.05685877248737
                4s
                   +0 :              -0.00593659293410
                3p
                   -1 :               0.03319776236121
                   +0 :              -0.05308410766041
                   +1 :               0.00887368461164
                4p
                   -1 :               0.00057093167788
                   +0 :              -0.00659739246869
                   +1 :               0.01056429165641
                3d
                   -2 :              -0.01670221105091
                   -1 :               0.02650207964051
                   +0 :              -0.02071018292626
                   +1 :               0.02686107545741
                   +2 :               0.00463988336598
              2 vec=     5.396321      3.115567      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00009484244439
                2p
                   -1 :              -0.00000987486656
                   +0 :              -0.00047840999642
                   +1 :              -0.00077514040859
                3s
                   +0 :              -0.00713023929814
                4s
                   +0 :              -0.00008576429613
                3p
                   -1 :              -0.00527169787272
                   +0 :              -0.00333576828606
                   +1 :              -0.00262311653248
                4p
                   -1 :               0.00034376191799
                   +0 :               0.00014902486051
                   +1 :              -0.00103650466524
                3d
                   -2 :              -0.00110111385920
                   -1 :               0.00054671511237
                   +0 :              -0.00001884675260
                   +1 :              -0.00083416804347
                   +2 :               0.00106839346224
              3 vec=    -2.383842      7.607446      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00033109117416
                2p
                   -1 :               0.00022263076780
                   +0 :               0.00030985632966
                   +1 :              -0.00019700641349
                3s
                   +0 :              -0.00536451879461
                4s
                   +0 :               0.00202034069909
                3p
                   -1 :              -0.00324254663689
                   +0 :              -0.00452722501774
                   +1 :               0.00100478489733
                4p
                   -1 :               0.00128705263057
                   +0 :               0.00094343057970
                   +1 :              -0.00085406040262
                3d
                   -2 :              -0.00040411503618
                   -1 :              -0.00138276187274
                   +0 :              -0.00046962786786
                   +1 :              -0.00011502248712
                   +2 :              -0.00002460700241
              4 vec=     5.396321     -5.868191      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00114544401365
                2p
                   -1 :              -0.00109534454772
                   +0 :              -0.00045307905399
                   +1 :               0.00029853861835
                3s
                   +0 :              -0.00124665103863
                4s
                   +0 :               0.00108441412424
                3p
                   -1 :               0.00613188445543
                   +0 :               0.00519441486299
                   +1 :              -0.00159779416241
                4p
                   -1 :              -0.00103033715720
                   +0 :              -0.00068510874203
                   +1 :               0.00128552040597
                3d
                   -2 :               0.00160905503032
                   -1 :               0.00037334833557
                   +0 :               0.00257162726543
                   +1 :               0.00122912094843
                   +2 :               0.00137988054984
              5 vec=   -10.164004      3.115567      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00015987526786
                2p
                   -1 :              -0.00007015741110
                   +0 :               0.00005465631981
                   +1 :              -0.00012430813101
                3s
                   +0 :              -0.00061668868236
                4s
                   +0 :               0.00024650695760
                3p
                   -1 :              -0.00003211066750
                   +0 :              -0.00019183045045
                   +1 :               0.00034817777241
                4p
                   -1 :               0.00005407416665
                   +0 :               0.00002924833940
                   +1 :              -0.00012900324492
                3d
                   -2 :              -0.00006898585209
                   -1 :              -0.00036911900098
                   +0 :               0.00028532254302
                   +1 :               0.00010665631025
                   +2 :              -0.00016326510452
              6 vec=    -2.383842    -10.360070      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00004607648294
                2p
                   -1 :              -0.00019778141001
                   +0 :               0.00015472228713
                   +1 :               0.00003867199568
                3s
                   +0 :               0.00051630370332
                4s
                   +0 :               0.00034740602828
                3p
                   -1 :               0.00072956856381
                   +0 :              -0.00075869386573
                   +1 :              -0.00037884692491
                4p
                   -1 :              -0.00046571340690
                   +0 :               0.00035797352266
                   +1 :               0.00007843883457
                3d
                   -2 :               0.00003404736994
                   -1 :               0.00011035318835
                   +0 :               0.00024370335410
                   +1 :              -0.00019593505453
                   +2 :               0.00021869702404
              7 vec=   -10.164004     -5.868191      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00018596746305
                2p
                   -1 :               0.00001455274213
                   +0 :              -0.00020228874897
                   +1 :               0.00016617238166
                3s
                   +0 :               0.00017270322858
                4s
                   +0 :              -0.00035471805244
                3p
                   -1 :              -0.00010602550770
                   +0 :               0.00023674896923
                   +1 :              -0.00042677149439
                4p
                   -1 :               0.00008334984118
                   +0 :              -0.00015496841820
                   +1 :               0.00020672926384
                3d
                   -2 :              -0.00008105252067
                   -1 :              -0.00007212438593
                   +0 :              -0.00002987499571
                   +1 :               0.00019257400883
                   +2 :               0.00017416133177
              8 vec=     5.396321     12.099325      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00014349537862
                2p
                   -1 :               0.00013754752180
                   +0 :               0.00011435434925
                   +1 :              -0.00001773067037
                3s
                   +0 :              -0.00004520221165
                4s
                   +0 :               0.00019916527786
                3p
                   -1 :              -0.00042277824711
                   +0 :              -0.00008147791814
                   +1 :               0.00005033751610
                4p
                   -1 :               0.00020619263631
                   +0 :               0.00013128695765
                   +1 :              -0.00003450499155
                3d
                   -2 :              -0.00001770080329
                   -1 :               0.00009708924840
                   +0 :               0.00021848211570
                   +1 :              -0.00014362116673
                   +2 :              -0.00001488224516
              9 vec=    13.176483     -1.376312      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00009877226881
                2p
                   -1 :               0.00012858780544
                   +0 :              -0.00004021816340
                   +1 :               0.00000137674237
                3s
                   +0 :               0.00162995252211
                4s
                   +0 :              -0.00036622675583
                3p
                   -1 :              -0.00130245356212
                   +0 :               0.00112504822026
                   +1 :               0.00050159301902
                4p
                   -1 :               0.00028435231280
                   +0 :              -0.00009913554496
                   +1 :              -0.00009489444620
                3d
                   -2 :              -0.00031913157101
                   -1 :              -0.00022917012811
                   +0 :               0.00033251142101
                   +1 :               0.00030903703758
                   +2 :               0.00001706607712
             10 vec=    13.176483      7.607446      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00005224335026
                2p
                   -1 :              -0.00001532771983
                   +0 :              -0.00001793554846
                   +1 :              -0.00003660848233
                3s
                   +0 :               0.00032293891511
                4s
                   +0 :              -0.00012742038444
                3p
                   -1 :               0.00008102347675
                   +0 :               0.00013787329984
                   +1 :               0.00023557611005
                4p
                   -1 :              -0.00001425908547
                   +0 :              -0.00003509475066
                   +1 :              -0.00009697618389
                3d
                   -2 :              -0.00000783932978
                   -1 :               0.00005340699981
                   +0 :              -0.00001554187286
                   +1 :               0.00000231240917
                   +2 :               0.00002648752141
             11 vec=   -10.164004     12.099325      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00002673070553
                2p
                   -1 :              -0.00003459703155
                   +0 :              -0.00002275946297
                   +1 :              -0.00006301275734
                3s
                   +0 :              -0.00026389244872
                4s
                   +0 :               0.00009292913408
                3p
                   -1 :               0.00007290508390
                   +0 :              -0.00000643005849
                   +1 :               0.00030287328283
                4p
                   -1 :              -0.00000327157408
                   +0 :               0.00001284398616
                   +1 :              -0.00008085255007
                3d
                   -2 :               0.00000585125444
                   -1 :              -0.00002741538424
                   +0 :              -0.00001547137807
                   +1 :              -0.00003986571148
                   +2 :              -0.00002140788656
             12 vec=     5.396321    -14.851949      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00007487839787
                2p
                   -1 :               0.00007350302891
                   +0 :               0.00000295123781
                   +1 :              -0.00004095159933
                3s
                   +0 :               0.00014077317968
                4s
                   +0 :              -0.00009479370781
                3p
                   -1 :              -0.00029010837089
                   +0 :              -0.00005790987867
                   +1 :               0.00014418977719
                4p
                   -1 :               0.00009579490153
                   +0 :              -0.00001093074799
                   +1 :              -0.00005027482930
                3d
                   -2 :               0.00002355483963
                   -1 :              -0.00000523535592
                   +0 :              -0.00005690470373
                   +1 :              -0.00001727951973
                   +2 :              -0.00003377792492
             13 vec=    -2.383842     16.591204      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00000143622141
                2p
                   -1 :               0.00000424095949
                   +0 :               0.00000295893736
                   +1 :              -0.00000135908764
                3s
                   +0 :               0.00001339961083
                4s
                   +0 :              -0.00001354976310
                3p
                   -1 :               0.00001100851876
                   +0 :              -0.00000855863668
                   +1 :              -0.00003009043868
                4p
                   -1 :              -0.00000819774356
                   +0 :              -0.00000864187503
                   +1 :               0.00002623081668
                3d
                   -2 :              -0.00000175817563
                   -1 :               0.00000218524411
                   +0 :              -0.00000722936396
                   +1 :               0.00000659908099
                   +2 :               0.00000004620917
             14 vec=    13.176483    -10.360070      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00003822846074
                2p
                   -1 :              -0.00001941364270
                   +0 :               0.00001956258763
                   +1 :               0.00000844382361
                3s
                   +0 :              -0.00008124078639
                4s
                   +0 :               0.00005323945894
                3p
                   -1 :               0.00004539449989
                   +0 :              -0.00005835409198
                   +1 :              -0.00005156387768
                4p
                   -1 :              -0.00001115777764
                   +0 :               0.00003189528927
                   +1 :               0.00001638070399
                3d
                   -2 :              -0.00001049330607
                   -1 :              -0.00001892431488
                   +0 :              -0.00002250190627
                   +1 :              -0.00002267400975
                   +2 :              -0.00000148662865
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al(  5)  npairs=  14
              1 vec=     2.802933     -1.376312     -1.580616   |vec|=    3.499860
                2s
                   +0 :               0.03993979757169
                2p
                   -1 :              -0.02099503179281
                   +0 :              -0.02541649930633
                   +1 :               0.03186603670833
                3s
                   +0 :               0.09924858629255
                4s
                   +0 :               0.01262587387879
                3p
                   -1 :              -0.03452075738991
                   +0 :              -0.04661524727346
                   +1 :               0.05521099556718
                4p
                   -1 :              -0.01319628223090
                   +0 :              -0.01179141835018
                   +1 :               0.01594430117406
                3d
                   -2 :              -0.03666141196803
                   -1 :               0.03135236743260
                   +0 :               0.00305574979191
                   +1 :              -0.04433386673932
                   +2 :               0.01020987383934
              2 vec=    -4.977229      3.115567     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00423337927451
                2p
                   -1 :               0.00193519285310
                   +0 :              -0.00087335121910
                   +1 :              -0.00317794797158
                3s
                   +0 :              -0.00784739692573
                4s
                   +0 :               0.00615380726142
                3p
                   -1 :              -0.00429706682634
                   +0 :               0.00339316858473
                   +1 :               0.01092207356600
                4p
                   -1 :               0.00226352594295
                   +0 :              -0.00127902783095
                   +1 :              -0.00396824013935
                3d
                   -2 :               0.00096144974798
                   -1 :               0.00069180788399
                   +0 :               0.00253757002235
                   +1 :              -0.00175894253879
                   +2 :              -0.00380286563632
              3 vec=    -4.977229     -5.868191     -1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00021360670333
                2p
                   -1 :              -0.00057073852892
                   +0 :               0.00047646917881
                   +1 :              -0.00005673990046
                3s
                   +0 :              -0.00627837639973
                4s
                   +0 :               0.00008755230103
                3p
                   -1 :              -0.00095167374440
                   +0 :               0.00219482006810
                   +1 :               0.00363843868352
                4p
                   -1 :              -0.00017791769857
                   +0 :               0.00025707734015
                   +1 :              -0.00008813183082
                3d
                   -2 :               0.00050204966084
                   -1 :               0.00046607428505
                   +0 :              -0.00069516014978
                   +1 :              -0.00101156599096
                   +2 :              -0.00210474741551
              4 vec=     2.802933      7.607446     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00000815453345
                2p
                   -1 :               0.00034604120197
                   +0 :              -0.00023412489146
                   +1 :               0.00019441504496
                3s
                   +0 :               0.00463068889946
                4s
                   +0 :              -0.00007027287788
                3p
                   -1 :               0.00128699321462
                   +0 :              -0.00223920874018
                   +1 :              -0.00324069107771
                4p
                   -1 :               0.00054172881284
                   +0 :              -0.00006086831762
                   +1 :               0.00023218558464
                3d
                   -2 :              -0.00111144766895
                   -1 :              -0.00168528651014
                   +0 :               0.00038258227985
                   +1 :               0.00087615829566
                   +2 :              -0.00017015434529
              5 vec=     2.802933    -10.360070     -1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00031624907003
                2p
                   -1 :               0.00032283446816
                   +0 :              -0.00023828752863
                   +1 :              -0.00018801374038
                3s
                   +0 :               0.00000066862984
                4s
                   +0 :              -0.00010670172755
                3p
                   -1 :              -0.00108920280741
                   +0 :               0.00102803195707
                   +1 :              -0.00011727654088
                4p
                   -1 :               0.00014842714016
                   +0 :              -0.00005241812341
                   +1 :              -0.00019377235687
                3d
                   -2 :              -0.00063595442047
                   -1 :               0.00005341785005
                   +0 :              -0.00011336672065
                   +1 :               0.00029518631229
                   +2 :              -0.00047062467770
              6 vec=    10.583096      3.115567     -1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00020667602683
                2p
                   -1 :              -0.00029411185660
                   +0 :               0.00011141007810
                   +1 :              -0.00007128845725
                3s
                   +0 :               0.00205283142632
                4s
                   +0 :              -0.00103224922889
                3p
                   -1 :               0.00195818044416
                   +0 :              -0.00103043815284
                   +1 :               0.00154360888452
                4p
                   -1 :              -0.00058513405814
                   +0 :               0.00020608368036
                   +1 :              -0.00046641099835
                3d
                   -2 :               0.00088206425235
                   -1 :              -0.00029939557379
                   +0 :              -0.00022967628494
                   +1 :              -0.00046187825523
                   +2 :              -0.00030907416235
              7 vec=    10.583096     -5.868191     -1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00021506695215
                2p
                   -1 :              -0.00000261769262
                   +0 :               0.00011565504341
                   +1 :              -0.00017849407106
                3s
                   +0 :               0.00085770723623
                4s
                   +0 :              -0.00004276661779
                3p
                   -1 :               0.00002252751912
                   +0 :              -0.00076660593200
                   +1 :               0.00114536971682
                4p
                   -1 :              -0.00010809200785
                   +0 :               0.00005470348520
                   +1 :              -0.00028289296706
                3d
                   -2 :              -0.00005957978428
                   -1 :               0.00012127600325
                   +0 :              -0.00013300982235
                   +1 :              -0.00007302669573
                   +2 :               0.00025505354811
              8 vec=   -12.757392     -1.376312     -1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00020362810471
                2p
                   -1 :               0.00015655200463
                   +0 :               0.00019295453020
                   +1 :               0.00015924815772
                3s
                   +0 :              -0.00259567648511
                4s
                   +0 :               0.00031750794247
                3p
                   -1 :               0.00089608596011
                   +0 :               0.00076215854247
                   +1 :              -0.00005066005138
                4p
                   -1 :               0.00014073740927
                   +0 :               0.00004077385634
                   +1 :               0.00012967389580
                3d
                   -2 :              -0.00025460564898
                   -1 :              -0.00065367378303
                   +0 :              -0.00026115456995
                   +1 :              -0.00025140566377
                   +2 :               0.00055421044409
              9 vec=    -4.977229     12.099325     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00018813285977
                2p
                   -1 :              -0.00005663717071
                   +0 :               0.00002154072703
                   +1 :              -0.00002645015089
                3s
                   +0 :              -0.00030202990483
                4s
                   +0 :              -0.00006273517231
                3p
                   -1 :              -0.00039931499801
                   +0 :               0.00051040675408
                   +1 :              -0.00004038623058
                4p
                   -1 :               0.00001857918911
                   +0 :              -0.00001965580061
                   +1 :              -0.00002436374517
                3d
                   -2 :              -0.00001973402704
                   -1 :               0.00018915133360
                   +0 :              -0.00003209696939
                   +1 :               0.00001577625397
                   +2 :               0.00015918364310
             10 vec=   -12.757392      7.607446     -1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00019842613269
                2p
                   -1 :               0.00000739843819
                   +0 :               0.00002403588271
                   +1 :              -0.00005858548291
                3s
                   +0 :              -0.00110155582149
                4s
                   +0 :               0.00031772886754
                3p
                   -1 :              -0.00027541560472
                   +0 :               0.00007502969685
                   +1 :               0.00039184241208
                4p
                   -1 :               0.00006760321211
                   +0 :               0.00003587786065
                   +1 :              -0.00011932450273
                3d
                   -2 :               0.00001628947586
                   -1 :               0.00003482595887
                   +0 :              -0.00004133793264
                   +1 :               0.00001463236843
                   +2 :               0.00000791642814
             11 vec=    -4.977229    -14.851949     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00008972540922
                2p
                   -1 :              -0.00005506576221
                   +0 :              -0.00003717651529
                   +1 :              -0.00005914762563
                3s
                   +0 :              -0.00027203156221
                4s
                   +0 :               0.00011677395728
                3p
                   -1 :               0.00027228389719
                   +0 :               0.00022512173321
                   +1 :               0.00018270560046
                4p
                   -1 :              -0.00005953193584
                   +0 :              -0.00005985435993
                   +1 :              -0.00002294626536
                3d
                   -2 :              -0.00000729886215
                   -1 :              -0.00009685940604
                   +0 :               0.00005453305150
                   +1 :              -0.00001086102801
                   +2 :               0.00006898777649
             12 vec=    10.583096     12.099325     -1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00006539039931
                2p
                   -1 :              -0.00001931004436
                   +0 :              -0.00000952738948
                   +1 :               0.00001974766045
                3s
                   +0 :               0.00031451245260
                4s
                   +0 :              -0.00003866604189
                3p
                   -1 :               0.00013182061098
                   +0 :              -0.00003290679361
                   +1 :              -0.00021575913775
                4p
                   -1 :              -0.00001439132946
                   +0 :              -0.00000139784772
                   +1 :               0.00007032273570
                3d
                   -2 :              -0.00003329337480
                   -1 :              -0.00004172125273
                   +0 :               0.00000645754862
                   +1 :               0.00004165700141
                   +2 :              -0.00006950478034
             13 vec=   -12.757392    -10.360070     -1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00008282998827
                2p
                   -1 :               0.00001372273285
                   +0 :              -0.00001280576717
                   +1 :              -0.00003264234577
                3s
                   +0 :              -0.00047129464170
                4s
                   +0 :               0.00007339284121
                3p
                   -1 :              -0.00002411870107
                   +0 :               0.00018856913668
                   +1 :               0.00023311882979
                4p
                   -1 :               0.00000033148850
                   +0 :              -0.00000496385405
                   +1 :              -0.00001937182692
                3d
                   -2 :              -0.00000277868184
                   -1 :              -0.00000206121260
                   +0 :              -0.00001930502332
                   +1 :              -0.00011329461356
                   +2 :              -0.00002611264106
             14 vec=     2.802933     16.591204     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00001076624692
                2p
                   -1 :              -0.00000666040328
                   +0 :              -0.00000779397190
                   +1 :              -0.00002723477411
                3s
                   +0 :               0.00001142836423
                4s
                   +0 :              -0.00001813830690
                3p
                   -1 :               0.00007252602875
                   +0 :               0.00004003820667
                   +1 :               0.00018417920448
                4p
                   -1 :              -0.00003079962414
                   +0 :              -0.00001525039835
                   +1 :              -0.00002657488532
                3d
                   -2 :               0.00004511309819
                   -1 :               0.00001283881909
                   +0 :              -0.00000160974663
                   +1 :              -0.00004151632343
                   +2 :              -0.00001713184783
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al(  6)  npairs=  14
              1 vec=     2.802933     -1.376312      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00213496509607
                2p
                   -1 :               0.00040775742551
                   +0 :              -0.00133839785133
                   +1 :              -0.00056471839843
                3s
                   +0 :               0.00544484606451
                4s
                   +0 :              -0.00288045104512
                3p
                   -1 :              -0.00183249484679
                   +0 :               0.00913549164601
                   +1 :               0.00145918944875
                4p
                   -1 :               0.00037307594933
                   +0 :              -0.00398649244196
                   +1 :              -0.00001681793676
                3d
                   -2 :              -0.00055300885545
                   -1 :              -0.00001680584018
                   +0 :               0.00296763240207
                   +1 :               0.00153833214136
                   +2 :               0.00145157530270
              2 vec=    -4.977229      3.115567      5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00001430795367
                2p
                   -1 :              -0.00028367995064
                   +0 :               0.00075061861490
                   +1 :              -0.00011002798185
                3s
                   +0 :              -0.00393111058863
                4s
                   +0 :              -0.00059847878680
                3p
                   -1 :               0.00133794300003
                   +0 :              -0.00253503041338
                   +1 :               0.00328360364489
                4p
                   -1 :              -0.00093700047603
                   +0 :               0.00089793244083
                   +1 :               0.00003831402261
                3d
                   -2 :               0.00057269270947
                   -1 :               0.00048949373704
                   +0 :               0.00132626581864
                   +1 :               0.00029847335549
                   +2 :              -0.00166194259209
              3 vec=    -4.977229     -5.868191      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00014318715308
                2p
                   -1 :              -0.00045647945884
                   +0 :              -0.00006586826042
                   +1 :              -0.00078705389539
                3s
                   +0 :              -0.00155167142726
                4s
                   +0 :               0.00083121183251
                3p
                   -1 :               0.00202182187023
                   +0 :              -0.00003464156127
                   +1 :               0.00537940266926
                4p
                   -1 :              -0.00055081436696
                   +0 :               0.00000961093665
                   +1 :              -0.00168560065535
                3d
                   -2 :              -0.00073400961209
                   -1 :               0.00022113368443
                   +0 :              -0.00008713578387
                   +1 :               0.00083775146418
                   +2 :               0.00015273132650
              4 vec=     2.802933      7.607446      5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00113798936931
                2p
                   -1 :               0.00052383727652
                   +0 :               0.00033801394381
                   +1 :               0.00041820407242
                3s
                   +0 :              -0.00331773297595
                4s
                   +0 :               0.00110994919364
                3p
                   -1 :              -0.00244682166698
                   +0 :              -0.00111046286344
                   +1 :              -0.00203045931079
                4p
                   -1 :               0.00082788002380
                   +0 :               0.00012413276233
                   +1 :               0.00057042840727
                3d
                   -2 :              -0.00049931974338
                   -1 :              -0.00028925121496
                   +0 :               0.00022160391479
                   +1 :              -0.00051465187769
                   +2 :              -0.00025849044509
              5 vec=     2.802933    -10.360070      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00014182743975
                2p
                   -1 :              -0.00006114600573
                   +0 :              -0.00006828962266
                   +1 :              -0.00009306207620
                3s
                   +0 :              -0.00029155245876
                4s
                   +0 :              -0.00003932032830
                3p
                   -1 :               0.00003752107656
                   +0 :               0.00005744443774
                   +1 :               0.00073568349731
                4p
                   -1 :               0.00010746949361
                   +0 :               0.00002271510092
                   +1 :              -0.00029216131608
                3d
                   -2 :              -0.00018158881648
                   -1 :               0.00006355675496
                   +0 :              -0.00005630129088
                   +1 :               0.00015424439303
                   +2 :               0.00002819577866
              6 vec=    10.583096      3.115567      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00012501128786
                2p
                   -1 :              -0.00006812021442
                   +0 :               0.00003319632147
                   +1 :               0.00016083330378
                3s
                   +0 :               0.00006657436159
                4s
                   +0 :               0.00024675850337
                3p
                   -1 :               0.00080079283642
                   +0 :              -0.00000556045253
                   +1 :              -0.00031842608397
                4p
                   -1 :              -0.00012687826746
                   +0 :               0.00001385688395
                   +1 :               0.00023326298418
                3d
                   -2 :               0.00018520170268
                   -1 :               0.00012664421546
                   +0 :              -0.00010142909402
                   +1 :              -0.00009755665082
                   +2 :              -0.00006961386878
              7 vec=    10.583096     -5.868191      5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00026408387404
                2p
                   -1 :              -0.00001082738286
                   +0 :              -0.00001082720059
                   +1 :               0.00004453361790
                3s
                   +0 :              -0.00088343435449
                4s
                   +0 :               0.00024188200997
                3p
                   -1 :               0.00008259433570
                   +0 :               0.00007005854714
                   +1 :              -0.00035218356991
                4p
                   -1 :              -0.00004649098353
                   +0 :              -0.00007209295358
                   +1 :               0.00009805767838
                3d
                   -2 :              -0.00008668783917
                   -1 :               0.00004358220967
                   +0 :               0.00007059836607
                   +1 :               0.00006118972499
                   +2 :               0.00002488866884
              8 vec=   -12.757392     -1.376312      5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00023992499927
                2p
                   -1 :               0.00000484782307
                   +0 :              -0.00006785716714
                   +1 :               0.00015458645988
                3s
                   +0 :               0.00032853721377
                4s
                   +0 :               0.00000720387963
                3p
                   -1 :              -0.00022203416882
                   +0 :               0.00023539744279
                   +1 :              -0.00032540732582
                4p
                   -1 :               0.00004289161525
                   +0 :              -0.00006485502002
                   +1 :               0.00000573041602
                3d
                   -2 :               0.00003154639480
                   -1 :              -0.00000406517535
                   +0 :              -0.00001318635311
                   +1 :              -0.00017419288183
                   +2 :               0.00005336832771
              9 vec=    -4.977229     12.099325      5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00007023555035
                2p
                   -1 :              -0.00003102197560
                   +0 :              -0.00002452211438
                   +1 :               0.00004578117480
                3s
                   +0 :              -0.00042018217222
                4s
                   +0 :               0.00017670668287
                3p
                   -1 :               0.00001057975438
                   +0 :               0.00015048114782
                   +1 :              -0.00031776849533
                4p
                   -1 :               0.00005309804514
                   +0 :               0.00002018139944
                   +1 :               0.00006651000666
                3d
                   -2 :              -0.00015883693442
                   -1 :               0.00011674306625
                   +0 :              -0.00002067185717
                   +1 :              -0.00000385059983
                   +2 :              -0.00003737817450
             10 vec=   -12.757392      7.607446      5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00010140119828
                2p
                   -1 :              -0.00002545812847
                   +0 :               0.00001566839820
                   +1 :               0.00009816961751
                3s
                   +0 :               0.00030092253889
                4s
                   +0 :              -0.00012679277818
                3p
                   -1 :               0.00010160751953
                   +0 :              -0.00019374505773
                   +1 :              -0.00047609382189
                4p
                   -1 :              -0.00002088292470
                   +0 :               0.00008465992362
                   +1 :               0.00012261763133
                3d
                   -2 :              -0.00006187707155
                   -1 :              -0.00000963020153
                   +0 :              -0.00005675127072
                   +1 :              -0.00002013550500
                   +2 :               0.00007277674432
             11 vec=    -4.977229    -14.851949      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00006795683193
                2p
                   -1 :               0.00006520922481
                   +0 :              -0.00004032383490
                   +1 :               0.00001631249065
                3s
                   +0 :               0.00021062515167
                4s
                   +0 :              -0.00004344826595
                3p
                   -1 :              -0.00029030847020
                   +0 :               0.00018085324268
                   +1 :              -0.00005336112873
                4p
                   -1 :               0.00005761765630
                   +0 :              -0.00002325024068
                   +1 :              -0.00000464387592
                3d
                   -2 :               0.00001675036496
                   -1 :              -0.00009631457106
                   +0 :               0.00001208152590
                   +1 :              -0.00000913109361
                   +2 :              -0.00007046571552
             12 vec=    10.583096     12.099325      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00004931003534
                2p
                   -1 :              -0.00001215955600
                   +0 :               0.00001195774659
                   +1 :               0.00005306400291
                3s
                   +0 :              -0.00005787540336
                4s
                   +0 :               0.00005136603935
                3p
                   -1 :               0.00007875615788
                   +0 :              -0.00002199221512
                   +1 :              -0.00022829787319
                4p
                   -1 :              -0.00002362777619
                   +0 :               0.00000866813086
                   +1 :               0.00007434509597
                3d
                   -2 :              -0.00001152314670
                   -1 :               0.00000556452896
                   +0 :               0.00001617815575
                   +1 :              -0.00003210815331
                   +2 :              -0.00001605175502
             13 vec=   -12.757392    -10.360070      5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00003275077204
                2p
                   -1 :              -0.00001513445740
                   +0 :               0.00001702345170
                   +1 :              -0.00000372805720
                3s
                   +0 :              -0.00000316918605
                4s
                   +0 :               0.00004942024222
                3p
                   -1 :               0.00011577421264
                   +0 :              -0.00011376339688
                   +1 :               0.00007860585826
                4p
                   -1 :              -0.00004219875600
                   +0 :               0.00003800568725
                   +1 :              -0.00005462670570
                3d
                   -2 :              -0.00001171161794
                   -1 :               0.00001749328999
                   +0 :              -0.00001612676779
                   +1 :               0.00001873661046
                   +2 :               0.00000015325318
             14 vec=     2.802933     16.591204      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000754675159
                2p
                   -1 :               0.00000378333573
                   +0 :              -0.00000095327135
                   +1 :              -0.00001292667080
                3s
                   +0 :              -0.00003037244519
                4s
                   +0 :               0.00002657610767
                3p
                   -1 :              -0.00005919647122
                   +0 :               0.00000395421738
                   +1 :               0.00004215399610
                4p
                   -1 :               0.00002783893870
                   +0 :               0.00000337920670
                   +1 :              -0.00001037948526
                3d
                   -2 :              -0.00002918828719
                   -1 :               0.00000595550874
                   +0 :              -0.00000079578938
                   +1 :              -0.00001203989594
                   +2 :               0.00000458457112
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al(  7)  npairs=  13
              1 vec=     2.802933     -1.376312     -6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00264901185114
                2p
                   -1 :               0.00043482990041
                   +0 :               0.00156896864569
                   +1 :              -0.00036073955048
                3s
                   +0 :               0.00902882795325
                4s
                   +0 :              -0.00387328038998
                3p
                   -1 :              -0.00525042917452
                   +0 :              -0.00332731989845
                   +1 :               0.00032448686542
                4p
                   -1 :               0.00101381846765
                   +0 :               0.00169786646023
                   +1 :              -0.00042066420527
                3d
                   -2 :               0.00031851696860
                   -1 :               0.00029025463119
                   +0 :              -0.00087313438374
                   +1 :               0.00123586032512
                   +2 :              -0.00011093855021
              2 vec=    -4.977229      3.115567     -6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00126738524856
                2p
                   -1 :              -0.00045031059652
                   +0 :              -0.00031020902325
                   +1 :              -0.00003379871377
                3s
                   +0 :              -0.01243255810125
                4s
                   +0 :               0.00069907593678
                3p
                   -1 :               0.00002471921907
                   +0 :               0.00718956490951
                   +1 :               0.00448244279447
                4p
                   -1 :              -0.00130275381930
                   +0 :              -0.00021015564353
                   +1 :               0.00040011701817
                3d
                   -2 :               0.00070082749054
                   -1 :               0.00081456255889
                   +0 :              -0.00063204775504
                   +1 :              -0.00216065654510
                   +2 :              -0.00180933796013
              3 vec=    -4.977229     -5.868191     -6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00125104051186
                2p
                   -1 :              -0.00059027757162
                   +0 :              -0.00026223885565
                   +1 :              -0.00076091779474
                3s
                   +0 :              -0.00639608732931
                4s
                   +0 :               0.00295228446202
                3p
                   -1 :               0.00364372748352
                   +0 :               0.00266946287246
                   +1 :               0.00484742191468
                4p
                   -1 :              -0.00138810238925
                   +0 :              -0.00095078673520
                   +1 :              -0.00149831522794
                3d
                   -2 :              -0.00101824062140
                   -1 :              -0.00042189354031
                   +0 :               0.00025060737629
                   +1 :              -0.00085440180043
                   +2 :               0.00004737056169
              4 vec=     2.802933      7.607446     -6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00041100027077
                2p
                   -1 :               0.00006767262804
                   +0 :               0.00021879617901
                   +1 :               0.00002799659705
                3s
                   +0 :               0.00154387806640
                4s
                   +0 :              -0.00031153403834
                3p
                   -1 :              -0.00040790927867
                   +0 :              -0.00056131143293
                   +1 :              -0.00042081957198
                4p
                   -1 :               0.00029069047206
                   +0 :               0.00013803359104
                   +1 :               0.00005164076711
                3d
                   -2 :              -0.00000821586324
                   -1 :               0.00007267341668
                   +0 :               0.00049492498523
                   +1 :               0.00045496859006
                   +2 :               0.00014496800264
              5 vec=     2.802933    -10.360070     -6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00025279903599
                2p
                   -1 :              -0.00002895901985
                   +0 :               0.00022618201668
                   +1 :               0.00012401723520
                3s
                   +0 :               0.00177267113159
                4s
                   +0 :              -0.00068750934101
                3p
                   -1 :              -0.00037379840579
                   +0 :              -0.00161558092690
                   +1 :              -0.00075915860588
                4p
                   -1 :               0.00006381943657
                   +0 :               0.00039435801070
                   +1 :               0.00025500685010
                3d
                   -2 :               0.00004485616211
                   -1 :               0.00029931619297
                   +0 :               0.00017251596344
                   +1 :               0.00003479452204
                   +2 :              -0.00006233013530
              6 vec=    10.583096      3.115567     -6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00027561590081
                2p
                   -1 :               0.00004266575570
                   +0 :              -0.00001152666323
                   +1 :               0.00003568375687
                3s
                   +0 :               0.00190660170809
                4s
                   +0 :              -0.00026695939923
                3p
                   -1 :              -0.00000884414790
                   +0 :              -0.00073737789236
                   +1 :               0.00036344804776
                4p
                   -1 :               0.00019251860979
                   +0 :               0.00010485621699
                   +1 :               0.00004918373969
                3d
                   -2 :               0.00012391513785
                   -1 :              -0.00008474450057
                   +0 :               0.00000816049602
                   +1 :              -0.00016208678349
                   +2 :               0.00020478093175
              7 vec=    10.583096     -5.868191     -6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00004086078193
                2p
                   -1 :              -0.00005837778100
                   +0 :              -0.00004594830459
                   +1 :              -0.00016308513802
                3s
                   +0 :               0.00077364890867
                4s
                   +0 :              -0.00050449603252
                3p
                   -1 :              -0.00018951656849
                   +0 :               0.00006648499344
                   +1 :               0.00121066588886
                4p
                   -1 :               0.00021082330927
                   +0 :               0.00008380691407
                   +1 :              -0.00047318637308
                3d
                   -2 :              -0.00016251973812
                   -1 :               0.00007837009030
                   +0 :              -0.00005233595313
                   +1 :               0.00004054350232
                   +2 :               0.00000502904622
              8 vec=   -12.757392     -1.376312     -6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00024455515649
                2p
                   -1 :               0.00007181130692
                   +0 :              -0.00017577464353
                   +1 :              -0.00005588287703
                3s
                   +0 :              -0.00113592837864
                4s
                   +0 :               0.00031356567538
                3p
                   -1 :              -0.00036831552634
                   +0 :               0.00091521691123
                   +1 :               0.00038452773509
                4p
                   -1 :               0.00013726360508
                   +0 :              -0.00016998430793
                   +1 :              -0.00006496005437
                3d
                   -2 :               0.00001668504612
                   -1 :               0.00007633487580
                   +0 :              -0.00006739687335
                   +1 :              -0.00011928117738
                   +2 :               0.00001807933764
              9 vec=    -4.977229     12.099325     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00002124322252
                2p
                   -1 :              -0.00000701934373
                   +0 :               0.00002335033530
                   +1 :               0.00004692068872
                3s
                   +0 :               0.00003632614704
                4s
                   +0 :               0.00002037338643
                3p
                   -1 :               0.00003611290853
                   +0 :              -0.00009871419409
                   +1 :              -0.00028739287341
                4p
                   -1 :               0.00000170931523
                   +0 :               0.00001074176201
                   +1 :               0.00003595074218
                3d
                   -2 :              -0.00001868870189
                   -1 :               0.00001349077112
                   +0 :               0.00002379848383
                   +1 :               0.00007312590033
                   +2 :              -0.00001404486238
             10 vec=   -12.757392      7.607446     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00012668698576
                2p
                   -1 :               0.00002709349761
                   +0 :              -0.00006940354787
                   +1 :              -0.00003817620549
                3s
                   +0 :              -0.00045088349831
                4s
                   +0 :               0.00006516255932
                3p
                   -1 :              -0.00012870670464
                   +0 :               0.00032384743599
                   +1 :               0.00012615326106
                4p
                   -1 :               0.00002145098060
                   +0 :              -0.00005832047890
                   +1 :               0.00002070127084
                3d
                   -2 :               0.00000489881831
                   -1 :               0.00002423278832
                   +0 :              -0.00001934543259
                   +1 :              -0.00006994807143
                   +2 :              -0.00000600639431
             11 vec=    -4.977229    -14.851949     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00002145894560
                2p
                   -1 :               0.00001378354561
                   +0 :               0.00000220808040
                   +1 :              -0.00001045922599
                3s
                   +0 :              -0.00017553508267
                4s
                   +0 :               0.00001966674065
                3p
                   -1 :              -0.00001474339396
                   +0 :               0.00006487853135
                   +1 :               0.00005103708179
                4p
                   -1 :               0.00002802069197
                   +0 :              -0.00001290554098
                   +1 :              -0.00001258430627
                3d
                   -2 :              -0.00006859586643
                   -1 :              -0.00002321051643
                   +0 :              -0.00002831694466
                   +1 :              -0.00002225642301
                   +2 :               0.00002253344438
             12 vec=    10.583096     12.099325     -6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00005954327332
                2p
                   -1 :               0.00001388481819
                   +0 :               0.00003001535347
                   +1 :              -0.00000836498102
                3s
                   +0 :               0.00031965688983
                4s
                   +0 :              -0.00007498946878
                3p
                   -1 :              -0.00005194972184
                   +0 :              -0.00020981545626
                   +1 :               0.00007262640559
                4p
                   -1 :               0.00003192331565
                   +0 :               0.00004431820622
                   +1 :              -0.00000914473287
                3d
                   -2 :              -0.00000435957285
                   -1 :              -0.00002000698645
                   +0 :               0.00001697762454
                   +1 :              -0.00004148566737
                   +2 :               0.00003441415938
             13 vec=   -12.757392    -10.360070     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00004105730898
                2p
                   -1 :               0.00001210640268
                   +0 :               0.00000717617588
                   +1 :              -0.00002021090549
                3s
                   +0 :              -0.00023582754956
                4s
                   +0 :               0.00009243751701
                3p
                   -1 :              -0.00007379114173
                   +0 :              -0.00000361028230
                   +1 :               0.00018170081138
                4p
                   -1 :               0.00003172863446
                   +0 :              -0.00001114503950
                   +1 :              -0.00007052050005
                3d
                   -2 :              -0.00001706263173
                   -1 :               0.00002582455063
                   +0 :              -0.00001554685950
                   +1 :               0.00002312129739
                   +2 :              -0.00000606882218
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al(  8)  npairs=  15
              1 vec=     2.802933     -1.376312     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00056332902962
                2p
                   -1 :              -0.00015412204329
                   +0 :               0.00013673845374
                   +1 :               0.00009991762528
                3s
                   +0 :              -0.00151267068356
                4s
                   +0 :               0.00031218451961
                3p
                   -1 :               0.00077721798975
                   +0 :              -0.00070996441064
                   +1 :              -0.00104269734165
                4p
                   -1 :              -0.00007296865105
                   +0 :               0.00019500323517
                   +1 :               0.00012967481879
                3d
                   -2 :              -0.00000513867168
                   -1 :               0.00026524045172
                   +0 :               0.00023797981936
                   +1 :              -0.00022877995415
                   +2 :              -0.00000394852660
              2 vec=    -4.977229      3.115567     10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00027096436227
                2p
                   -1 :              -0.00010826877985
                   +0 :              -0.00009225508305
                   +1 :               0.00011132516361
                3s
                   +0 :               0.00019173828999
                4s
                   +0 :              -0.00002042510859
                3p
                   -1 :               0.00069671973779
                   +0 :               0.00031096177696
                   +1 :              -0.00035156049677
                4p
                   -1 :              -0.00001571423304
                   +0 :               0.00004356443351
                   +1 :               0.00013499255081
                3d
                   -2 :              -0.00031858143614
                   -1 :               0.00023834292187
                   +0 :               0.00016301939231
                   +1 :              -0.00006749926888
                   +2 :               0.00001817873953
              3 vec=    -4.977229     -5.868191     10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00032374492964
                2p
                   -1 :              -0.00028203553444
                   +0 :               0.00016970449727
                   +1 :              -0.00009301251643
                3s
                   +0 :              -0.00065052360336
                4s
                   +0 :               0.00021971995395
                3p
                   -1 :               0.00122320254404
                   +0 :              -0.00042090863850
                   +1 :               0.00000302934705
                4p
                   -1 :              -0.00030610788109
                   +0 :               0.00012284067401
                   +1 :               0.00004676168591
                3d
                   -2 :               0.00001144329618
                   -1 :               0.00023476925137
                   +0 :              -0.00005663442982
                   +1 :              -0.00003010193948
                   +2 :               0.00033138523569
              4 vec=     2.802933      7.607446     10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00005597554065
                2p
                   -1 :               0.00009004990740
                   +0 :               0.00010478205757
                   +1 :              -0.00007983282474
                3s
                   +0 :               0.00099569118164
                4s
                   +0 :              -0.00003844337952
                3p
                   -1 :               0.00058759896177
                   +0 :               0.00038273168137
                   +1 :               0.00055689021337
                4p
                   -1 :               0.00000626317723
                   +0 :               0.00007218621021
                   +1 :              -0.00018531813606
                3d
                   -2 :               0.00012355803531
                   -1 :               0.00022164851999
                   +0 :              -0.00002880196199
                   +1 :               0.00005125690642
                   +2 :              -0.00029805589232
              5 vec=     2.802933     -1.376312    -13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00015255055434
                2p
                   -1 :              -0.00000734695909
                   +0 :              -0.00002747956898
                   +1 :               0.00004634469922
                3s
                   +0 :              -0.00031648449421
                4s
                   +0 :               0.00006013082945
                3p
                   -1 :               0.00003574832236
                   +0 :               0.00009668698610
                   +1 :              -0.00014633393642
                4p
                   -1 :              -0.00000727551903
                   +0 :               0.00000678263123
                   +1 :              -0.00000545154282
                3d
                   -2 :               0.00000181852918
                   -1 :               0.00001449915203
                   +0 :               0.00001429075622
                   +1 :              -0.00002176498055
                   +2 :              -0.00001391028275
              6 vec=    -4.977229      3.115567    -13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00003266968680
                2p
                   -1 :              -0.00003944343239
                   +0 :              -0.00003249248028
                   +1 :               0.00003543086225
                3s
                   +0 :               0.00012932840729
                4s
                   +0 :               0.00002992098107
                3p
                   -1 :               0.00028132444799
                   +0 :               0.00014765290314
                   +1 :              -0.00026243411840
                4p
                   -1 :              -0.00003766652398
                   +0 :              -0.00006914517721
                   +1 :               0.00001408574562
                3d
                   -2 :              -0.00005914537584
                   -1 :               0.00000710308404
                   +0 :              -0.00002468505092
                   +1 :              -0.00001019909590
                   +2 :               0.00000821613416
              7 vec=     2.802933    -10.360070     10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00004500652130
                2p
                   -1 :              -0.00004186332272
                   +0 :               0.00006775743063
                   +1 :              -0.00002360785247
                3s
                   +0 :              -0.00026600160227
                4s
                   +0 :               0.00008448133243
                3p
                   -1 :               0.00030036112600
                   +0 :              -0.00047151486004
                   +1 :               0.00006706774815
                4p
                   -1 :              -0.00007327674706
                   +0 :               0.00010472204410
                   +1 :              -0.00002631613696
                3d
                   -2 :               0.00006356642492
                   -1 :               0.00009887453641
                   +0 :              -0.00011115851504
                   +1 :               0.00000342246149
                   +2 :               0.00008193954442
              8 vec=    10.583096      3.115567     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00008339636901
                2p
                   -1 :               0.00002089711226
                   +0 :               0.00000423816307
                   +1 :              -0.00002659047417
                3s
                   +0 :               0.00042967603190
                4s
                   +0 :              -0.00009661102825
                3p
                   -1 :              -0.00019829493160
                   +0 :              -0.00000426530676
                   +1 :               0.00013369454935
                4p
                   -1 :               0.00005084441065
                   +0 :               0.00000708995526
                   +1 :              -0.00000412214076
                3d
                   -2 :              -0.00006762807180
                   -1 :              -0.00001312763793
                   +0 :               0.00000893606790
                   +1 :              -0.00001750755705
                   +2 :               0.00000539652541
              9 vec=    -4.977229     -5.868191    -13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00005970807915
                2p
                   -1 :               0.00002229529817
                   +0 :               0.00005514302813
                   +1 :               0.00000822573076
                3s
                   +0 :               0.00006187683949
                4s
                   +0 :              -0.00004514498715
                3p
                   -1 :               0.00005283207943
                   +0 :              -0.00027335380869
                   +1 :               0.00000357869707
                4p
                   -1 :               0.00001329665845
                   +0 :               0.00007893664035
                   +1 :              -0.00002727167092
                3d
                   -2 :               0.00002753831748
                   -1 :              -0.00002585199009
                   +0 :               0.00005452301788
                   +1 :               0.00000892175297
                   +2 :               0.00007311453201
             10 vec=     2.802933      7.607446    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00005286939940
                2p
                   -1 :              -0.00003081793176
                   +0 :               0.00002041263923
                   +1 :               0.00001633356302
                3s
                   +0 :              -0.00003594929627
                4s
                   +0 :              -0.00005997782888
                3p
                   -1 :               0.00002250746036
                   +0 :              -0.00004286027157
                   +1 :              -0.00031114853019
                4p
                   -1 :               0.00000030900945
                   +0 :               0.00001282921943
                   +1 :               0.00003860159174
                3d
                   -2 :              -0.00001971669327
                   -1 :              -0.00000165581431
                   +0 :               0.00006066939165
                   +1 :               0.00000466842137
                   +2 :              -0.00002382851579
             11 vec=    10.583096     -5.868191     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00022029706633
                2p
                   -1 :              -0.00003625072551
                   +0 :               0.00010929900043
                   +1 :               0.00011679855074
                3s
                   +0 :              -0.00069757083741
                4s
                   +0 :               0.00022544621859
                3p
                   -1 :               0.00014248741339
                   +0 :              -0.00052050640009
                   +1 :              -0.00053000519326
                4p
                   -1 :              -0.00002350553731
                   +0 :               0.00013735572536
                   +1 :               0.00011247784521
                3d
                   -2 :              -0.00002471280709
                   -1 :               0.00003327880028
                   +0 :              -0.00001548803956
                   +1 :              -0.00009169548284
                   +2 :              -0.00005024283912
             12 vec=   -12.757392     -1.376312     10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00000717609577
                2p
                   -1 :              -0.00000870266279
                   +0 :              -0.00004290348677
                   +1 :               0.00001071851403
                3s
                   +0 :              -0.00010743113277
                4s
                   +0 :              -0.00005967266489
                3p
                   -1 :               0.00005130758028
                   +0 :               0.00017706692808
                   +1 :              -0.00000834313927
                4p
                   -1 :               0.00000990308009
                   +0 :              -0.00008452591065
                   +1 :               0.00003519216513
                3d
                   -2 :              -0.00007443192215
                   -1 :               0.00000027185587
                   +0 :               0.00008777325436
                   +1 :              -0.00001172530163
                   +2 :               0.00000863310308
             13 vec=    -4.977229     12.099325     10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00009608894596
                2p
                   -1 :               0.00004900704235
                   +0 :               0.00004205633344
                   +1 :              -0.00000755969063
                3s
                   +0 :              -0.00029416694431
                4s
                   +0 :               0.00004493992001
                3p
                   -1 :              -0.00017837334601
                   +0 :              -0.00025240162851
                   +1 :              -0.00000084320164
                4p
                   -1 :               0.00001637455367
                   +0 :               0.00004307261852
                   +1 :              -0.00000939754711
                3d
                   -2 :               0.00000471703022
                   -1 :              -0.00004294655448
                   +0 :              -0.00001638978206
                   +1 :              -0.00003280205462
                   +2 :               0.00001298563423
             14 vec=     2.802933    -10.360070    -13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00007809778919
                2p
                   -1 :               0.00004287806256
                   +0 :              -0.00000185046942
                   +1 :               0.00001463477912
                3s
                   +0 :               0.00022634894790
                4s
                   +0 :              -0.00005758849402
                3p
                   -1 :              -0.00017684922064
                   +0 :               0.00003877876548
                   +1 :              -0.00008297322472
                4p
                   -1 :               0.00003683008754
                   +0 :              -0.00002963140708
                   +1 :               0.00002707426402
                3d
                   -2 :               0.00004975558409
                   -1 :               0.00000067512046
                   +0 :              -0.00002753179009
                   +1 :               0.00000343908870
                   +2 :              -0.00000867297136
             15 vec=    10.583096      3.115567    -13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00006762007956
                2p
                   -1 :               0.00002199751623
                   +0 :              -0.00001814575748
                   +1 :               0.00004883930877
                3s
                   +0 :              -0.00008224277587
                4s
                   +0 :               0.00003497841396
                3p
                   -1 :              -0.00006996726142
                   +0 :               0.00005835853889
                   +1 :              -0.00013996278826
                4p
                   -1 :              -0.00000034646827
                   +0 :               0.00000070402033
                   +1 :               0.00004075418190
                3d
                   -2 :              -0.00001982547678
                   -1 :               0.00002796871005
                   +0 :              -0.00000888345571
                   +1 :               0.00001467622392
                   +2 :              -0.00000782460741
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al(  9)  npairs=  13
              1 vec=     0.209546      3.115567      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00291429983003
                2p
                   -1 :              -0.00064791042866
                   +0 :              -0.00098968294571
                   +1 :               0.00040531970532
                3s
                   +0 :               0.01002625359638
                4s
                   +0 :              -0.00342301888781
                3p
                   -1 :               0.00192119979252
                   +0 :               0.00428632196587
                   +1 :              -0.00802525524798
                4p
                   -1 :               0.00002267004756
                   +0 :              -0.00103394208019
                   +1 :               0.00078404299417
                3d
                   -2 :              -0.00136855922650
                   -1 :               0.00046019168727
                   +0 :               0.00017224847337
                   +1 :              -0.00210372858559
                   +2 :               0.00041699188091
              2 vec=     0.209546     -5.868191      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00058776623227
                2p
                   -1 :               0.00038110527866
                   +0 :               0.00003703818899
                   +1 :              -0.00080325062713
                3s
                   +0 :               0.00519810015956
                4s
                   +0 :              -0.00237912251249
                3p
                   -1 :              -0.00422596988155
                   +0 :               0.00154113394071
                   +1 :               0.00501193456552
                4p
                   -1 :               0.00127275800713
                   +0 :              -0.00063556912347
                   +1 :              -0.00183276941996
                3d
                   -2 :              -0.00157889586100
                   -1 :              -0.00071318088209
                   +0 :               0.00007945125088
                   +1 :               0.00074903665152
                   +2 :              -0.00087577632844
              3 vec=    -7.570617     -1.376312      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00014021401918
                2p
                   -1 :              -0.00025357468315
                   +0 :              -0.00025961545810
                   +1 :              -0.00048645337176
                3s
                   +0 :              -0.00218996576486
                4s
                   +0 :               0.00127899498621
                3p
                   -1 :               0.00219234174637
                   +0 :               0.00066095183695
                   +1 :               0.00341517430777
                4p
                   -1 :              -0.00040395628421
                   +0 :               0.00008850080874
                   +1 :              -0.00130660807595
                3d
                   -2 :              -0.00038534017140
                   -1 :               0.00049711078345
                   +0 :               0.00010900127457
                   +1 :               0.00009106981728
                   +2 :              -0.00053389979715
              4 vec=     7.989708     -1.376312      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00152574558837
                2p
                   -1 :              -0.00009295202936
                   +0 :              -0.00038610641264
                   +1 :              -0.00047934806327
                3s
                   +0 :               0.00622000960853
                4s
                   +0 :              -0.00199132792092
                3p
                   -1 :               0.00009912051657
                   +0 :               0.00239878875954
                   +1 :               0.00274964269274
                4p
                   -1 :              -0.00010274978960
                   +0 :              -0.00061315307052
                   +1 :              -0.00062705038675
                3d
                   -2 :               0.00031845785838
                   -1 :               0.00005344631133
                   +0 :               0.00045959111089
                   +1 :               0.00032925158057
                   +2 :               0.00047636365243
              5 vec=    -7.570617      7.607446      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00051493545913
                2p
                   -1 :              -0.00004813225161
                   +0 :              -0.00028327613268
                   +1 :               0.00029152462859
                3s
                   +0 :               0.00174689723739
                4s
                   +0 :              -0.00068069383430
                3p
                   -1 :               0.00023858088289
                   +0 :               0.00136901073592
                   +1 :              -0.00146416430412
                4p
                   -1 :              -0.00006082539230
                   +0 :              -0.00043041386151
                   +1 :               0.00040786106302
                3d
                   -2 :               0.00001670143478
                   -1 :               0.00007507141173
                   +0 :               0.00003717556014
                   +1 :              -0.00027511535077
                   +2 :               0.00014869689207
              6 vec=     7.989708      7.607446      6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00018155775496
                2p
                   -1 :              -0.00001641688762
                   +0 :              -0.00013547041993
                   +1 :               0.00002670280292
                3s
                   +0 :               0.00110538254747
                4s
                   +0 :              -0.00023246519743
                3p
                   -1 :               0.00026787762980
                   +0 :               0.00103595709735
                   +1 :              -0.00006995183904
                4p
                   -1 :              -0.00009844317495
                   +0 :              -0.00019012026864
                   +1 :               0.00016706672855
                3d
                   -2 :               0.00001029188475
                   -1 :               0.00015551988540
                   +0 :               0.00020182200050
                   +1 :               0.00025533984043
                   +2 :              -0.00006624425364
              7 vec=     0.209546     12.099325      6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00001349588959
                2p
                   -1 :               0.00000512840444
                   +0 :               0.00003503692195
                   +1 :               0.00008212041600
                3s
                   +0 :               0.00010676349344
                4s
                   +0 :              -0.00006495577969
                3p
                   -1 :               0.00000784096786
                   +0 :              -0.00011944185677
                   +1 :              -0.00031616722023
                4p
                   -1 :               0.00000784605208
                   +0 :               0.00002022493647
                   +1 :               0.00007610904417
                3d
                   -2 :               0.00006134260467
                   -1 :               0.00000144475961
                   +0 :               0.00003248675570
                   +1 :              -0.00017567853081
                   +2 :              -0.00001921987005
              8 vec=    -7.570617    -10.360070      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00012115826138
                2p
                   -1 :              -0.00003441191521
                   +0 :               0.00010541982455
                   +1 :              -0.00006218819301
                3s
                   +0 :              -0.00074108588230
                4s
                   +0 :               0.00032884964231
                3p
                   -1 :               0.00040653369313
                   +0 :              -0.00065806329382
                   +1 :               0.00042903892154
                4p
                   -1 :              -0.00016160443720
                   +0 :               0.00016026792199
                   +1 :              -0.00016089722010
                3d
                   -2 :              -0.00009067211551
                   -1 :               0.00004501347898
                   +0 :              -0.00001336563071
                   +1 :               0.00004505362036
                   +2 :               0.00001760328562
              9 vec=     7.989708    -10.360070      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00007053266704
                2p
                   -1 :              -0.00003380286408
                   +0 :               0.00001591396854
                   +1 :              -0.00001032951907
                3s
                   +0 :              -0.00011460652792
                4s
                   +0 :              -0.00004760211220
                3p
                   -1 :               0.00017890840400
                   +0 :               0.00004684674959
                   +1 :               0.00011850451457
                4p
                   -1 :              -0.00003345708076
                   +0 :              -0.00005308488003
                   +1 :              -0.00006284508705
                3d
                   -2 :              -0.00006527377324
                   -1 :               0.00002153932734
                   +0 :               0.00008885942559
                   +1 :              -0.00004303085961
                   +2 :               0.00009049279036
             10 vec=     0.209546    -14.851949      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00003397437928
                2p
                   -1 :               0.00000500431517
                   +0 :               0.00001360980626
                   +1 :              -0.00002324052794
                3s
                   +0 :               0.00008107485934
                4s
                   +0 :              -0.00004627366147
                3p
                   -1 :              -0.00002402164715
                   +0 :              -0.00006931032174
                   +1 :               0.00010610739091
                4p
                   -1 :               0.00002289632110
                   +0 :               0.00000238640339
                   +1 :              -0.00001945105810
                3d
                   -2 :              -0.00003955108887
                   -1 :               0.00002472108724
                   +0 :              -0.00000515821934
                   +1 :               0.00001943109521
                   +2 :               0.00000436958865
             11 vec=   -15.350780      3.115567      6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00009373380052
                2p
                   -1 :               0.00001191392249
                   +0 :               0.00002612056620
                   +1 :              -0.00001194246871
                3s
                   +0 :              -0.00057025760672
                4s
                   +0 :               0.00012980722631
                3p
                   -1 :              -0.00010159341047
                   +0 :              -0.00027330058001
                   +1 :               0.00016441136039
                4p
                   -1 :               0.00000529613632
                   +0 :               0.00004181539316
                   +1 :              -0.00001183033870
                3d
                   -2 :               0.00001934305868
                   -1 :              -0.00002964423740
                   +0 :              -0.00003255031831
                   +1 :               0.00008407256508
                   +2 :              -0.00002873572205
             12 vec=    15.769871      3.115567      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00002068544239
                2p
                   -1 :              -0.00000765200237
                   +0 :               0.00000412987928
                   +1 :               0.00002659794350
                3s
                   +0 :               0.00021447363271
                4s
                   +0 :              -0.00003521399673
                3p
                   -1 :               0.00009110134000
                   +0 :               0.00005243094336
                   +1 :              -0.00009497120568
                4p
                   -1 :              -0.00002686171636
                   +0 :               0.00000471096781
                   +1 :               0.00004013019451
                3d
                   -2 :               0.00002560338102
                   -1 :               0.00001230899767
                   +0 :               0.00000532324349
                   +1 :               0.00000024347474
                   +2 :               0.00000512191725
             13 vec=   -15.350780     -5.868191      6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00004611905932
                2p
                   -1 :              -0.00003218677786
                   +0 :               0.00000014855360
                   +1 :               0.00001458423476
                3s
                   +0 :              -0.00021832300240
                4s
                   +0 :               0.00006163894056
                3p
                   -1 :               0.00017824781599
                   +0 :              -0.00001039172690
                   +1 :              -0.00006536558449
                4p
                   -1 :              -0.00003859383291
                   +0 :               0.00000709070360
                   +1 :               0.00002045226470
                3d
                   -2 :              -0.00001147212762
                   -1 :               0.00000754419239
                   +0 :              -0.00001753286984
                   +1 :              -0.00002434332817
                   +2 :              -0.00000443575149
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al( 10)  npairs=  15
              1 vec=     0.209546      3.115567    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00018296029713
                2p
                   -1 :               0.00027028435868
                   +0 :               0.00001565095046
                   +1 :               0.00008318396873
                3s
                   +0 :               0.00069441343865
                4s
                   +0 :              -0.00009766666400
                3p
                   -1 :              -0.00095655126531
                   +0 :               0.00009790138136
                   +1 :              -0.00091933366338
                4p
                   -1 :               0.00031011173359
                   +0 :              -0.00018676324271
                   +1 :               0.00008767376279
                3d
                   -2 :               0.00021416188119
                   -1 :               0.00007243492171
                   +0 :              -0.00018931452574
                   +1 :               0.00011037447512
                   +2 :              -0.00016169454902
              2 vec=     0.209546     -5.868191    -10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00044328677814
                2p
                   -1 :               0.00018708122852
                   +0 :               0.00014069864657
                   +1 :              -0.00029290978202
                3s
                   +0 :               0.00120682549473
                4s
                   +0 :              -0.00015962076718
                3p
                   -1 :              -0.00078156073568
                   +0 :              -0.00046355391033
                   +1 :               0.00154300104819
                4p
                   -1 :               0.00011206037866
                   +0 :               0.00001548110529
                   +1 :              -0.00022423696434
                3d
                   -2 :              -0.00019154981710
                   -1 :               0.00012990174094
                   +0 :              -0.00013563261585
                   +1 :              -0.00041971962674
                   +2 :              -0.00003255346392
              3 vec=    -7.570617     -1.376312    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00025172242612
                2p
                   -1 :               0.00009966009280
                   +0 :              -0.00005704652100
                   +1 :              -0.00005423845513
                3s
                   +0 :              -0.00164369232218
                4s
                   +0 :               0.00023666157468
                3p
                   -1 :              -0.00038028920366
                   +0 :               0.00092229095921
                   +1 :               0.00085624864767
                4p
                   -1 :               0.00023530684220
                   +0 :              -0.00005050880400
                   +1 :              -0.00006134055810
                3d
                   -2 :               0.00001578657520
                   -1 :               0.00003236145836
                   +0 :              -0.00009230863604
                   +1 :              -0.00028403622950
                   +2 :              -0.00015274441922
              4 vec=     7.989708     -1.376312    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00016486261559
                2p
                   -1 :               0.00006333408285
                   +0 :              -0.00011764356988
                   +1 :              -0.00004307666085
                3s
                   +0 :               0.00083243858744
                4s
                   +0 :              -0.00018952529793
                3p
                   -1 :              -0.00054496342599
                   +0 :              -0.00055635597474
                   +1 :               0.00103440845977
                4p
                   -1 :              -0.00004092618449
                   +0 :               0.00012532280832
                   +1 :              -0.00019785331136
                3d
                   -2 :              -0.00016570966565
                   -1 :               0.00031222105769
                   +0 :               0.00022333670682
                   +1 :              -0.00020071682518
                   +2 :               0.00015639057990
              5 vec=     0.209546      3.115567     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00004076196678
                2p
                   -1 :               0.00002345995608
                   +0 :               0.00004436634584
                   +1 :               0.00004921147262
                3s
                   +0 :              -0.00017013083459
                4s
                   +0 :               0.00003450022734
                3p
                   -1 :              -0.00003126019707
                   +0 :              -0.00025982346001
                   +1 :              -0.00018515619126
                4p
                   -1 :              -0.00000910490932
                   +0 :               0.00007068861390
                   +1 :               0.00007472461128
                3d
                   -2 :              -0.00002420443152
                   -1 :              -0.00004633252373
                   +0 :              -0.00002878350326
                   +1 :               0.00000193862609
                   +2 :               0.00008246272648
              6 vec=     0.209546     -5.868191     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00003126593349
                2p
                   -1 :               0.00006652860185
                   +0 :               0.00002958781342
                   +1 :              -0.00000905020944
                3s
                   +0 :               0.00013696967236
                4s
                   +0 :              -0.00002575968385
                3p
                   -1 :              -0.00040685349601
                   +0 :              -0.00018467119415
                   +1 :               0.00005662534820
                4p
                   -1 :               0.00007952144956
                   +0 :               0.00003888706931
                   +1 :              -0.00002662488564
                3d
                   -2 :              -0.00000845286952
                   -1 :               0.00000382663858
                   +0 :              -0.00006120553386
                   +1 :              -0.00000274583483
                   +2 :              -0.00006483979974
              7 vec=    -7.570617      7.607446    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00003457617471
                2p
                   -1 :              -0.00003371606326
                   +0 :               0.00000679439656
                   +1 :              -0.00006004762360
                3s
                   +0 :              -0.00040122913285
                4s
                   +0 :               0.00010119419797
                3p
                   -1 :              -0.00004418999437
                   +0 :               0.00011119643494
                   +1 :               0.00028555451731
                4p
                   -1 :              -0.00001134023691
                   +0 :              -0.00001712204461
                   +1 :              -0.00009311881389
                3d
                   -2 :               0.00004172984124
                   -1 :               0.00002579705630
                   +0 :              -0.00004045746932
                   +1 :              -0.00001121947011
                   +2 :               0.00003831964955
              8 vec=     7.989708      7.607446    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00008982197472
                2p
                   -1 :               0.00001227552794
                   +0 :              -0.00006043421512
                   +1 :               0.00001510048957
                3s
                   +0 :              -0.00010221078488
                4s
                   +0 :               0.00003814638830
                3p
                   -1 :               0.00016042076478
                   +0 :               0.00023781386868
                   +1 :              -0.00007038303811
                4p
                   -1 :              -0.00005626155663
                   +0 :              -0.00007564734778
                   +1 :              -0.00001295834889
                3d
                   -2 :               0.00001827372637
                   -1 :              -0.00003056685256
                   +0 :              -0.00000189791470
                   +1 :               0.00004060754489
                   +2 :              -0.00004169991802
              9 vec=    -7.570617     -1.376312     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00002958296022
                2p
                   -1 :              -0.00000753161831
                   +0 :               0.00001869242639
                   +1 :               0.00001188668533
                3s
                   +0 :              -0.00012827497265
                4s
                   +0 :               0.00005964956619
                3p
                   -1 :              -0.00000534160347
                   +0 :              -0.00019008229866
                   +1 :               0.00002472172891
                4p
                   -1 :              -0.00002731433325
                   +0 :               0.00009944464134
                   +1 :              -0.00004184618597
                3d
                   -2 :               0.00003667410984
                   -1 :              -0.00000837707207
                   +0 :              -0.00002074424169
                   +1 :               0.00003300029367
                   +2 :               0.00001326928899
             10 vec=     7.989708     -1.376312     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00002982992897
                2p
                   -1 :              -0.00003103525575
                   +0 :               0.00002407054369
                   +1 :              -0.00000684134424
                3s
                   +0 :              -0.00002605374630
                4s
                   +0 :              -0.00001897723866
                3p
                   -1 :               0.00011304927241
                   +0 :              -0.00006705623974
                   +1 :               0.00000697761168
                4p
                   -1 :              -0.00001080222981
                   +0 :              -0.00000849961670
                   +1 :              -0.00001377034966
                3d
                   -2 :               0.00001614028483
                   -1 :               0.00000685964453
                   +0 :               0.00000232239564
                   +1 :              -0.00000070229676
                   +2 :               0.00001902806066
             11 vec=     0.209546     12.099325    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00003901773678
                2p
                   -1 :              -0.00001375160951
                   +0 :               0.00003939246337
                   +1 :               0.00001214615852
                3s
                   +0 :               0.00016457407268
                4s
                   +0 :              -0.00007250760817
                3p
                   -1 :               0.00007074244368
                   +0 :              -0.00020882406369
                   +1 :              -0.00004455716581
                4p
                   -1 :              -0.00001573462174
                   +0 :               0.00006922115791
                   +1 :               0.00002108663500
                3d
                   -2 :              -0.00000020650367
                   -1 :              -0.00004204737564
                   +0 :               0.00003996920892
                   +1 :               0.00001020249627
                   +2 :               0.00000377317964
             12 vec=    -7.570617    -10.360070    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00005933180628
                2p
                   -1 :               0.00004288187941
                   +0 :               0.00006478943508
                   +1 :               0.00001133624756
                3s
                   +0 :               0.00023603318607
                4s
                   +0 :              -0.00013386540517
                3p
                   -1 :              -0.00021884158644
                   +0 :              -0.00033057013642
                   +1 :              -0.00002374604207
                4p
                   -1 :               0.00007718492291
                   +0 :               0.00011077104267
                   +1 :               0.00001741904925
                3d
                   -2 :              -0.00000934648795
                   -1 :               0.00006277320737
                   +0 :               0.00009019469554
                   +1 :               0.00001055106493
                   +2 :              -0.00009153018745
             13 vec=     7.989708    -10.360070    -10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00005928862801
                2p
                   -1 :              -0.00003997803695
                   +0 :               0.00002081902674
                   +1 :              -0.00002595917145
                3s
                   +0 :               0.00024887827296
                4s
                   +0 :              -0.00003986809966
                3p
                   -1 :               0.00028945810941
                   +0 :              -0.00014538948445
                   +1 :               0.00014892286661
                4p
                   -1 :              -0.00013035856017
                   +0 :               0.00001802058567
                   +1 :              -0.00003069840980
                3d
                   -2 :               0.00002207758908
                   -1 :              -0.00000706928605
                   +0 :               0.00005340392120
                   +1 :               0.00000866216663
                   +2 :               0.00007030414543
             14 vec=    -7.570617      7.607446     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00001075876997
                2p
                   -1 :              -0.00001119254064
                   +0 :               0.00001288284091
                   +1 :              -0.00001184821218
                3s
                   +0 :              -0.00028625812639
                4s
                   +0 :               0.00004849420456
                3p
                   -1 :              -0.00005071573738
                   +0 :              -0.00014173334826
                   +1 :               0.00021270215106
                4p
                   -1 :              -0.00000857059823
                   +0 :               0.00006173349763
                   +1 :              -0.00001675856807
                3d
                   -2 :               0.00004442135982
                   -1 :              -0.00000647890581
                   +0 :               0.00002750768050
                   +1 :               0.00002389167021
                   +2 :              -0.00002065904358
             15 vec=     7.989708      7.607446     13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00001708047299
                2p
                   -1 :              -0.00000242969682
                   +0 :               0.00002741545337
                   +1 :               0.00001334089265
                3s
                   +0 :               0.00004899630504
                4s
                   +0 :               0.00001126403023
                3p
                   -1 :               0.00008678527481
                   +0 :              -0.00012906090317
                   +1 :              -0.00002096992996
                4p
                   -1 :              -0.00000410608689
                   +0 :               0.00003509738990
                   +1 :               0.00000978915737
                3d
                   -2 :               0.00001685001024
                   -1 :              -0.00000012294060
                   +0 :              -0.00003602001601
                   +1 :              -0.00004423486932
                   +2 :              -0.00003491584857
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al( 11)  npairs=  14
              1 vec=     0.209546      3.115567      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.00172243576189
                2p
                   -1 :               0.00274913859618
                   +0 :               0.00181808618872
                   +1 :              -0.00749719700858
                3s
                   +0 :               0.01914488500795
                4s
                   +0 :              -0.00366314693907
                3p
                   -1 :               0.01667036967776
                   +0 :               0.00237815952125
                   +1 :              -0.03905214919598
                4p
                   -1 :              -0.00029144387631
                   +0 :               0.00067833247336
                   +1 :              -0.00151489728574
                3d
                   -2 :              -0.03250090015126
                   -1 :               0.00604621289512
                   +0 :              -0.00168551814966
                   +1 :              -0.01776373730230
                   +2 :              -0.00985095781093
              2 vec=     0.209546     -5.868191      1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00081126748337
                2p
                   -1 :              -0.00159203910556
                   +0 :              -0.00078109297207
                   +1 :               0.00076992769349
                3s
                   +0 :              -0.00528668772501
                4s
                   +0 :               0.00155452956476
                3p
                   -1 :               0.00500361383997
                   +0 :               0.00545072983211
                   +1 :              -0.00384506061239
                4p
                   -1 :              -0.00192003510488
                   +0 :              -0.00182866248290
                   +1 :               0.00206711768103
                3d
                   -2 :              -0.00230079318061
                   -1 :              -0.00119243125302
                   +0 :              -0.00028334888190
                   +1 :               0.00030550206570
                   +2 :              -0.00208233224716
              3 vec=    -7.570617     -1.376312      1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00003715071591
                2p
                   -1 :              -0.00001274410234
                   +0 :               0.00027081849341
                   +1 :              -0.00061213763784
                3s
                   +0 :              -0.01581799270837
                4s
                   +0 :               0.00017666730436
                3p
                   -1 :               0.00831618191390
                   +0 :              -0.01146188018314
                   +1 :               0.00605493640337
                4p
                   -1 :               0.00013780703609
                   +0 :               0.00067543633507
                   +1 :              -0.00016809518296
                3d
                   -2 :              -0.00335184541697
                   -1 :               0.00281571939203
                   +0 :              -0.00114534233250
                   +1 :               0.00366606050222
                   +2 :               0.00137464592858
              4 vec=     7.989708     -1.376312      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00061949398068
                2p
                   -1 :               0.00084419041084
                   +0 :              -0.00033434860010
                   +1 :               0.00093282690877
                3s
                   +0 :               0.00966580730116
                4s
                   +0 :              -0.00145059454000
                3p
                   -1 :              -0.01069020257988
                   +0 :               0.00777465932362
                   +1 :              -0.00443212944546
                4p
                   -1 :               0.00135178603678
                   +0 :              -0.00100166729811
                   +1 :               0.00092721308198
                3d
                   -2 :              -0.00124155719569
                   -1 :              -0.00392977426319
                   +0 :               0.00127708004155
                   +1 :               0.00079235632480
                   +2 :              -0.00385419286780
              5 vec=    -7.570617      7.607446      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00015528665631
                2p
                   -1 :               0.00024071181770
                   +0 :               0.00010207991790
                   +1 :               0.00015272341778
                3s
                   +0 :              -0.00205767718612
                4s
                   +0 :               0.00027197142063
                3p
                   -1 :              -0.00217117584129
                   +0 :              -0.00105288910303
                   +1 :              -0.00065596231669
                4p
                   -1 :               0.00030186350419
                   +0 :               0.00006493832771
                   +1 :               0.00007821325542
                3d
                   -2 :              -0.00007412116253
                   -1 :              -0.00035783232644
                   +0 :               0.00010264782255
                   +1 :               0.00001019060814
                   +2 :               0.00046236038105
              6 vec=     7.989708      7.607446      1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00060061776743
                2p
                   -1 :              -0.00001027154730
                   +0 :               0.00008773463867
                   +1 :              -0.00024424972985
                3s
                   +0 :               0.00393676893517
                4s
                   +0 :              -0.00084699214110
                3p
                   -1 :               0.00149241774330
                   +0 :               0.00048552911657
                   +1 :               0.00187592714550
                4p
                   -1 :              -0.00001772193247
                   +0 :              -0.00002503013233
                   +1 :              -0.00045893607594
                3d
                   -2 :               0.00040695069932
                   -1 :               0.00045091965457
                   +0 :               0.00005773103523
                   +1 :              -0.00006638486394
                   +2 :               0.00010621880021
              7 vec=     0.209546     12.099325      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00017537254242
                2p
                   -1 :              -0.00015329112734
                   +0 :              -0.00018042355345
                   +1 :               0.00005438278223
                3s
                   +0 :               0.00017142491187
                4s
                   +0 :              -0.00006657908511
                3p
                   -1 :               0.00044736160990
                   +0 :               0.00065154667793
                   +1 :               0.00002149818951
                4p
                   -1 :              -0.00013137178563
                   +0 :              -0.00013906459409
                   +1 :               0.00008105859162
                3d
                   -2 :               0.00025865623621
                   -1 :               0.00010615668809
                   +0 :              -0.00006363087906
                   +1 :               0.00002911493295
                   +2 :              -0.00010382588965
              8 vec=    -7.570617    -10.360070      1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00029350623113
                2p
                   -1 :               0.00003657969841
                   +0 :              -0.00006518932732
                   +1 :               0.00014913803820
                3s
                   +0 :              -0.00180571605599
                4s
                   +0 :               0.00023469792502
                3p
                   -1 :              -0.00034951135624
                   +0 :              -0.00070796042609
                   +1 :               0.00012916982845
                4p
                   -1 :               0.00007721151869
                   +0 :               0.00008682281626
                   +1 :               0.00021679872352
                3d
                   -2 :               0.00030563201545
                   -1 :              -0.00006117991891
                   +0 :              -0.00008367242468
                   +1 :               0.00045957946636
                   +2 :              -0.00021693224016
              9 vec=     7.989708    -10.360070      1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00025371594239
                2p
                   -1 :               0.00006917842429
                   +0 :              -0.00009856974707
                   +1 :               0.00009730564516
                3s
                   +0 :               0.00234573661563
                4s
                   +0 :              -0.00012257246232
                3p
                   -1 :              -0.00053999207884
                   +0 :               0.00179728998371
                   +1 :               0.00070205389339
                4p
                   -1 :              -0.00003819370585
                   +0 :              -0.00030962098940
                   +1 :               0.00017502079582
                3d
                   -2 :              -0.00011638626830
                   -1 :              -0.00040821639321
                   +0 :               0.00020582992814
                   +1 :               0.00069938625837
                   +2 :               0.00023472597766
             10 vec=     0.209546    -14.851949      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00003237620921
                2p
                   -1 :              -0.00005094668263
                   +0 :               0.00000134952508
                   +1 :              -0.00001705327867
                3s
                   +0 :              -0.00027825859214
                4s
                   +0 :               0.00017006965361
                3p
                   -1 :               0.00044514778344
                   +0 :              -0.00003541278933
                   +1 :              -0.00007975271504
                4p
                   -1 :              -0.00016088911396
                   +0 :               0.00001589417069
                   +1 :              -0.00002223934898
                3d
                   -2 :              -0.00001402570521
                   -1 :               0.00003716230650
                   +0 :               0.00000274158524
                   +1 :              -0.00009278620711
                   +2 :               0.00005782850016
             11 vec=   -15.350780      3.115567      1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00015545088808
                2p
                   -1 :               0.00001558497626
                   +0 :               0.00004351809173
                   +1 :              -0.00009535054632
                3s
                   +0 :              -0.00052098492843
                4s
                   +0 :               0.00020925005310
                3p
                   -1 :              -0.00018093988159
                   +0 :              -0.00030188288028
                   +1 :               0.00049606897615
                4p
                   -1 :               0.00005959499849
                   +0 :               0.00008290397004
                   +1 :              -0.00011518514953
                3d
                   -2 :               0.00012188925005
                   -1 :              -0.00003657136816
                   +0 :               0.00009614112883
                   +1 :               0.00008211279843
                   +2 :              -0.00007070768813
             12 vec=    15.769871      3.115567      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00004527703559
                2p
                   -1 :               0.00003457567412
                   +0 :               0.00001198466726
                   +1 :               0.00000834177774
                3s
                   +0 :               0.00010172290152
                4s
                   +0 :               0.00007525419053
                3p
                   -1 :              -0.00026233888033
                   +0 :              -0.00003594202036
                   +1 :              -0.00021484698695
                4p
                   -1 :               0.00011694332623
                   +0 :               0.00003581466607
                   +1 :               0.00013144750130
                3d
                   -2 :              -0.00008193225691
                   -1 :              -0.00002210396160
                   +0 :              -0.00003163231783
                   +1 :               0.00002228041001
                   +2 :               0.00004730025479
             13 vec=   -15.350780     -5.868191      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00005437415272
                2p
                   -1 :              -0.00001282709884
                   +0 :               0.00002507462609
                   +1 :              -0.00001081059343
                3s
                   +0 :              -0.00020957094472
                4s
                   +0 :               0.00003672205329
                3p
                   -1 :               0.00002409188581
                   +0 :              -0.00015603338651
                   +1 :              -0.00000412357199
                4p
                   -1 :              -0.00000040440360
                   +0 :               0.00001944338991
                   +1 :               0.00000152976656
                3d
                   -2 :               0.00000335140819
                   -1 :               0.00005091218363
                   +0 :              -0.00001441203685
                   +1 :               0.00002752171982
                   +2 :               0.00000492903108
             14 vec=    15.769871     -5.868191      1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00000674802549
                2p
                   -1 :               0.00000017074161
                   +0 :               0.00001848351583
                   +1 :              -0.00000209400501
                3s
                   +0 :               0.00024461381990
                4s
                   +0 :              -0.00010465242483
                3p
                   -1 :              -0.00006972474612
                   +0 :               0.00002678148392
                   +1 :               0.00017885912437
                4p
                   -1 :               0.00005140417055
                   +0 :               0.00000704937241
                   +1 :              -0.00005888502510
                3d
                   -2 :              -0.00000909112281
                   -1 :               0.00000549067670
                   +0 :               0.00000161957422
                   +1 :               0.00003154795970
                   +2 :               0.00001182955254
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site Al( 12)  npairs=  14
              1 vec=     0.209546      3.115567     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00022505485968
                2p
                   -1 :              -0.00008645270498
                   +0 :              -0.00035152175864
                   +1 :               0.00075962219114
                3s
                   +0 :              -0.00118779344317
                4s
                   +0 :               0.00177079281637
                3p
                   -1 :              -0.00067537335561
                   +0 :               0.00325508479247
                   +1 :              -0.00418006185712
                4p
                   -1 :               0.00096262864512
                   +0 :              -0.00126348125286
                   +1 :               0.00088432979408
                3d
                   -2 :               0.00118865256668
                   -1 :               0.00026830478642
                   +0 :              -0.00023312286659
                   +1 :              -0.00220303192467
                   +2 :               0.00056956687007
              2 vec=     0.209546     -5.868191     -5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00043667473620
                2p
                   -1 :               0.00001762085282
                   +0 :              -0.00059941047186
                   +1 :              -0.00082442369830
                3s
                   +0 :               0.00045579719551
                4s
                   +0 :              -0.00088853785529
                3p
                   -1 :              -0.00160274831433
                   +0 :               0.00345266550857
                   +1 :               0.00601956531255
                4p
                   -1 :               0.00037809475129
                   +0 :              -0.00075645963022
                   +1 :              -0.00145436715929
                3d
                   -2 :              -0.00153286274856
                   -1 :              -0.00082451599423
                   +0 :              -0.00060235546901
                   +1 :              -0.00115203185172
                   +2 :              -0.00043442655974
              3 vec=    -7.570617     -1.376312     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00061070070238
                2p
                   -1 :              -0.00090969028505
                   +0 :               0.00048433407567
                   +1 :              -0.00008316858005
                3s
                   +0 :               0.00082128643659
                4s
                   +0 :              -0.00001759842275
                3p
                   -1 :               0.00502618608791
                   +0 :              -0.00124173406433
                   +1 :               0.00075510550759
                4p
                   -1 :              -0.00118324303547
                   +0 :               0.00022898940622
                   +1 :              -0.00036875251017
                3d
                   -2 :              -0.00046464685819
                   -1 :              -0.00075018970097
                   +0 :              -0.00041935219559
                   +1 :              -0.00013261365886
                   +2 :              -0.00037547457361
              4 vec=     7.989708     -1.376312     -5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00244067268042
                2p
                   -1 :               0.00137995691517
                   +0 :               0.00006057599921
                   +1 :               0.00124480696905
                3s
                   +0 :              -0.00667141420755
                4s
                   +0 :               0.00180511236155
                3p
                   -1 :              -0.00661412254251
                   +0 :              -0.00185028666713
                   +1 :              -0.00518677726625
                4p
                   -1 :               0.00125535354667
                   +0 :               0.00119366570706
                   +1 :               0.00102806562662
                3d
                   -2 :              -0.00138918203545
                   -1 :               0.00071869028577
                   +0 :               0.00092017351968
                   +1 :              -0.00005429004265
                   +2 :              -0.00026520827265
              5 vec=    -7.570617      7.607446     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00022930737040
                2p
                   -1 :              -0.00017218544079
                   +0 :               0.00016484081697
                   +1 :               0.00016541468357
                3s
                   +0 :               0.00070502426912
                4s
                   +0 :              -0.00049719849167
                3p
                   -1 :               0.00118560911324
                   +0 :              -0.00029005300292
                   +1 :              -0.00071413291647
                4p
                   -1 :              -0.00042326738014
                   +0 :               0.00012334206642
                   +1 :               0.00029697089986
                3d
                   -2 :              -0.00017000768069
                   -1 :              -0.00008219949347
                   +0 :              -0.00010122138613
                   +1 :               0.00004230483625
                   +2 :              -0.00009870124431
              6 vec=     7.989708      7.607446     -5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00019418532223
                2p
                   -1 :               0.00012988235270
                   +0 :              -0.00009228715805
                   +1 :               0.00016549799732
                3s
                   +0 :              -0.00026569090836
                4s
                   +0 :               0.00015022393363
                3p
                   -1 :              -0.00057601657897
                   +0 :               0.00016168398281
                   +1 :              -0.00022782009481
                4p
                   -1 :               0.00011053874407
                   +0 :               0.00002159915314
                   +1 :               0.00007277067601
                3d
                   -2 :              -0.00024916767626
                   -1 :               0.00021505939525
                   +0 :              -0.00003393113973
                   +1 :               0.00012341040686
                   +2 :               0.00010583312461
              7 vec=     0.209546     12.099325     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00001677822192
                2p
                   -1 :              -0.00000801802960
                   +0 :              -0.00005041938446
                   +1 :              -0.00001205825479
                3s
                   +0 :              -0.00003696346229
                4s
                   +0 :              -0.00002441382216
                3p
                   -1 :               0.00003793391630
                   +0 :               0.00015641516663
                   +1 :              -0.00001069209892
                4p
                   -1 :              -0.00003479548829
                   +0 :               0.00003255187693
                   +1 :              -0.00000883438588
                3d
                   -2 :              -0.00009412902569
                   -1 :               0.00004378760931
                   +0 :               0.00000701936976
                   +1 :               0.00005049601421
                   +2 :              -0.00002097605128
              8 vec=    -7.570617    -10.360070     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00048150969505
                2p
                   -1 :               0.00020403643611
                   +0 :               0.00011435987828
                   +1 :              -0.00005305145214
                3s
                   +0 :               0.00112153985448
                4s
                   +0 :              -0.00019432064648
                3p
                   -1 :              -0.00054962073110
                   +0 :              -0.00047403195736
                   +1 :               0.00036588707395
                4p
                   -1 :               0.00002721309059
                   +0 :               0.00013938493874
                   +1 :              -0.00015679237690
                3d
                   -2 :              -0.00002788933363
                   -1 :               0.00021081751597
                   +0 :              -0.00002474233668
                   +1 :              -0.00005439498352
                   +2 :              -0.00009365067358
              9 vec=     7.989708    -10.360070     -5.671710   |vec|=   14.259550
                2s
                   +0 :               0.00007211309297
                2p
                   -1 :              -0.00003734074098
                   +0 :              -0.00005357052333
                   +1 :               0.00010787154650
                3s
                   +0 :              -0.00039461123972
                4s
                   +0 :               0.00023133761602
                3p
                   -1 :               0.00024637527025
                   +0 :               0.00017186400123
                   +1 :              -0.00073114412598
                4p
                   -1 :              -0.00011054213719
                   +0 :              -0.00005972744238
                   +1 :               0.00022713633004
                3d
                   -2 :               0.00000584681625
                   -1 :               0.00003674604908
                   +0 :               0.00011874345140
                   +1 :               0.00010300011163
                   +2 :              -0.00003440837743
             10 vec=     0.209546    -14.851949     -5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00007586778646
                2p
                   -1 :              -0.00005839111939
                   +0 :              -0.00005423318508
                   +1 :               0.00002286714628
                3s
                   +0 :              -0.00024634425788
                4s
                   +0 :               0.00003306189256
                3p
                   -1 :               0.00033875356597
                   +0 :               0.00024919808112
                   +1 :              -0.00011846187811
                4p
                   -1 :              -0.00005870846070
                   +0 :              -0.00005389907918
                   +1 :               0.00003012786087
                3d
                   -2 :               0.00001432217757
                   -1 :              -0.00005389373804
                   +0 :               0.00004293292009
                   +1 :               0.00005130994800
                   +2 :               0.00009288998397
             11 vec=   -15.350780      3.115567     -5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00007894559027
                2p
                   -1 :              -0.00001899632474
                   +0 :               0.00004561220742
                   +1 :               0.00004968635670
                3s
                   +0 :               0.00005089702991
                4s
                   +0 :              -0.00002748679827
                3p
                   -1 :               0.00000545261373
                   +0 :              -0.00019955806570
                   +1 :              -0.00011661567420
                4p
                   -1 :              -0.00000275823319
                   +0 :               0.00002581247544
                   +1 :               0.00002690133758
                3d
                   -2 :              -0.00003029633799
                   -1 :              -0.00003243435994
                   +0 :               0.00001993243923
                   +1 :               0.00009925775885
                   +2 :               0.00003947072927
             12 vec=    15.769871      3.115567     -5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00015227654397
                2p
                   -1 :               0.00006845888172
                   +0 :              -0.00004707070210
                   +1 :               0.00008385889542
                3s
                   +0 :              -0.00048405001521
                4s
                   +0 :               0.00019092817020
                3p
                   -1 :              -0.00031820860411
                   +0 :               0.00021785095048
                   +1 :              -0.00045482394855
                4p
                   -1 :               0.00006640651886
                   +0 :              -0.00004961622751
                   +1 :               0.00012788049591
                3d
                   -2 :              -0.00009363234821
                   -1 :               0.00008041997803
                   +0 :               0.00000095637207
                   +1 :               0.00011321661580
                   +2 :              -0.00003244141956
             13 vec=   -15.350780     -5.868191     -5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00002804166011
                2p
                   -1 :               0.00000788093835
                   +0 :               0.00002048885148
                   +1 :              -0.00003980294941
                3s
                   +0 :              -0.00012028632905
                4s
                   +0 :               0.00005349457686
                3p
                   -1 :              -0.00005224125296
                   +0 :              -0.00004106660449
                   +1 :               0.00019306963929
                4p
                   -1 :               0.00001404100359
                   +0 :              -0.00001317213276
                   +1 :              -0.00005949497561
                3d
                   -2 :              -0.00001208063412
                   -1 :               0.00000661456022
                   +0 :              -0.00002706811658
                   +1 :              -0.00001177067364
                   +2 :              -0.00001441686916
             14 vec=    15.769871     -5.868191     -5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00001602365841
                2p
                   -1 :               0.00000592838718
                   +0 :               0.00001505601632
                   +1 :               0.00000378094442
                3s
                   +0 :               0.00013207911677
                4s
                   +0 :              -0.00004606990478
                3p
                   -1 :               0.00000989758707
                   +0 :              -0.00001472803819
                   +1 :               0.00004653535076
                4p
                   -1 :              -0.00002908364070
                   +0 :              -0.00003146147828
                   +1 :              -0.00002277438474
                3d
                   -2 :              -0.00001353043789
                   -1 :               0.00004647132485
                   +0 :              -0.00000025000953
                   +1 :               0.00001546232145
                   +2 :              -0.00006969131691
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 13)  npairs=  14
              1 vec=     0.000000     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00008375519512
                2s
                   +0 :               0.00065939615457
                3s
                   +0 :              -0.00027729108639
                2p
                   -1 :               0.00020844764279
                   +0 :              -0.00055877186844
                   +1 :               0.00036839321979
                3p
                   -1 :              -0.00023828320835
                   +0 :               0.00039845883181
                   +1 :              -0.00022546689321
                3d
                   -2 :              -0.00002072460182
                   -1 :               0.00002229196653
                   +0 :              -0.00003790397553
                   +1 :               0.00000940976042
                   +2 :               0.00000116339519
              2 vec=     0.000000     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003724784607
                2s
                   +0 :              -0.00019823428821
                3s
                   +0 :               0.00023577982133
                2p
                   -1 :               0.00021981296217
                   +0 :              -0.00025057572457
                   +1 :               0.00025882271487
                3p
                   -1 :              -0.00019522518354
                   +0 :               0.00039970682599
                   +1 :              -0.00010331699376
                3d
                   -2 :              -0.00000780617324
                   -1 :              -0.00002988354954
                   +0 :               0.00004454670790
                   +1 :              -0.00001041149882
                   +2 :              -0.00001808500802
              3 vec=     0.000000      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004556236297
                2s
                   +0 :               0.00001854493234
                3s
                   +0 :              -0.00018267421854
                2p
                   -1 :               0.00033793509824
                   +0 :               0.00015602381641
                   +1 :              -0.00066614946300
                3p
                   -1 :              -0.00030300143185
                   +0 :               0.00004836506206
                   +1 :               0.00007154126458
                3d
                   -2 :              -0.00000269434705
                   -1 :               0.00003068719461
                   +0 :              -0.00000165052414
                   +1 :               0.00002796193677
                   +2 :               0.00000174988984
              4 vec=     0.000000      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001528077013
                2s
                   +0 :               0.00005799475726
                3s
                   +0 :              -0.00006119821182
                2p
                   -1 :              -0.00012717949088
                   +0 :              -0.00009520575013
                   +1 :              -0.00067411177944
                3p
                   -1 :               0.00010425768431
                   +0 :               0.00001185265435
                   +1 :               0.00015391245384
                3d
                   -2 :              -0.00000332702721
                   -1 :              -0.00000256353978
                   +0 :               0.00000133824080
                   +1 :              -0.00003612255984
                   +2 :              -0.00000242742427
              5 vec=    -7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001882331207
                2s
                   +0 :              -0.00020226552739
                3s
                   +0 :               0.00009462451274
                2p
                   -1 :              -0.00000603564414
                   +0 :               0.00016606716390
                   +1 :               0.00000029548786
                3p
                   -1 :              -0.00011448087087
                   +0 :              -0.00005627023795
                   +1 :               0.00001099618339
                3d
                   -2 :               0.00000701117073
                   -1 :               0.00000979368555
                   +0 :               0.00001854010577
                   +1 :              -0.00000062272545
                   +2 :               0.00000209313687
              6 vec=    -7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00004556886235
                2s
                   +0 :              -0.00042390085074
                3s
                   +0 :               0.00005249180993
                2p
                   -1 :               0.00002508017709
                   +0 :              -0.00014840690154
                   +1 :               0.00003461384276
                3p
                   -1 :              -0.00004704465297
                   +0 :              -0.00001861034332
                   +1 :               0.00003332407393
                3d
                   -2 :               0.00000219794449
                   -1 :              -0.00000637707650
                   +0 :              -0.00001150157646
                   +1 :               0.00001125277829
                   +2 :              -0.00000105573576
              7 vec=     7.780163      1.739256    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00000465118370
                2s
                   +0 :               0.00026417019251
                3s
                   +0 :               0.00002472959661
                2p
                   -1 :               0.00030234145363
                   +0 :              -0.00036986751252
                   +1 :               0.00027068854512
                3p
                   -1 :              -0.00011992630589
                   +0 :               0.00013774140505
                   +1 :              -0.00019428664010
                3d
                   -2 :              -0.00001105330719
                   -1 :              -0.00000379636790
                   +0 :              -0.00001421314252
                   +1 :               0.00000207009897
                   +2 :              -0.00002027918815
              8 vec=     7.780163      1.739256     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00001587078618
                2s
                   +0 :               0.00019622134561
                3s
                   +0 :              -0.00001606616972
                2p
                   -1 :              -0.00018007381463
                   +0 :               0.00022819708823
                   +1 :               0.00001179801214
                3p
                   -1 :               0.00021529920548
                   +0 :              -0.00004595179562
                   +1 :               0.00003236054569
                3d
                   -2 :               0.00002689111995
                   -1 :               0.00003216696549
                   +0 :              -0.00000211724658
                   +1 :              -0.00000596004577
                   +2 :              -0.00000947153581
              9 vec=    -7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001312849752
                2s
                   +0 :               0.00007660147300
                3s
                   +0 :              -0.00004870941334
                2p
                   -1 :              -0.00003771893726
                   +0 :              -0.00005388873081
                   +1 :              -0.00018513603557
                3p
                   -1 :               0.00003015814753
                   +0 :               0.00005797726249
                   +1 :               0.00015438701569
                3d
                   -2 :              -0.00000241300129
                   -1 :              -0.00000392310433
                   +0 :              -0.00000327163416
                   +1 :              -0.00000526473001
                   +2 :               0.00001334234562
             10 vec=    -7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002560432891
                2s
                   +0 :               0.00011606485904
                3s
                   +0 :              -0.00009741050167
                2p
                   -1 :               0.00006699955673
                   +0 :               0.00007170807800
                   +1 :              -0.00014449959348
                3p
                   -1 :              -0.00004549839152
                   +0 :              -0.00008075723506
                   +1 :               0.00013685796731
                3d
                   -2 :              -0.00000002084126
                   -1 :              -0.00000004644932
                   +0 :              -0.00000239232527
                   +1 :               0.00000872047586
                   +2 :              -0.00001008947107
             11 vec=     7.780163     -7.244502    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002909863814
                2s
                   +0 :               0.00018067610393
                3s
                   +0 :              -0.00007192722011
                2p
                   -1 :              -0.00013614477902
                   +0 :              -0.00017195886099
                   +1 :               0.00033589068550
                3p
                   -1 :               0.00007730493189
                   +0 :               0.00007376945116
                   +1 :              -0.00027964037376
                3d
                   -2 :               0.00001253815924
                   -1 :              -0.00000486161973
                   +0 :              -0.00000486032999
                   +1 :               0.00002008439710
                   +2 :              -0.00000189010973
             12 vec=     7.780163     -7.244502     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002855417978
                2s
                   +0 :              -0.00018286761861
                3s
                   +0 :               0.00018129416369
                2p
                   -1 :               0.00006724170687
                   +0 :              -0.00023595937600
                   +1 :              -0.00001153676289
                3p
                   -1 :              -0.00010154107332
                   +0 :               0.00026680232727
                   +1 :               0.00003427838788
                3d
                   -2 :              -0.00001634865469
                   -1 :              -0.00002972402757
                   +0 :               0.00002637515498
                   +1 :               0.00003773482751
                   +2 :               0.00001100167298
             13 vec=     0.000000    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001005240559
                2s
                   +0 :              -0.00003978111564
                3s
                   +0 :               0.00001939771672
                2p
                   -1 :              -0.00004395907324
                   +0 :               0.00002018791280
                   +1 :              -0.00003299046138
                3p
                   -1 :               0.00003507825189
                   +0 :               0.00000571351918
                   +1 :               0.00005190159989
                3d
                   -2 :              -0.00000544183257
                   -1 :              -0.00000737372879
                   +0 :               0.00000004921215
                   +1 :              -0.00000624417811
                   +2 :               0.00000936862748
             14 vec=     0.000000    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001986752376
                2s
                   +0 :               0.00014180507981
                3s
                   +0 :              -0.00003774300740
                2p
                   -1 :              -0.00009444349205
                   +0 :               0.00008339105355
                   +1 :              -0.00004744765538
                3p
                   -1 :               0.00007148028080
                   +0 :              -0.00001898839745
                   +1 :               0.00008637598803
                3d
                   -2 :              -0.00000745423395
                   -1 :              -0.00000547174451
                   +0 :               0.00000680032862
                   +1 :               0.00002337936589
                   +2 :               0.00000902101853
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 14)  npairs=  18
              1 vec=     3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00005632353567
                2s
                   +0 :               0.00055300564500
                3s
                   +0 :              -0.00018580992140
                2p
                   -1 :              -0.00041598030612
                   +0 :              -0.00019565408118
                   +1 :              -0.00009131744259
                3p
                   -1 :               0.00028790271729
                   +0 :               0.00014115116182
                   +1 :               0.00006474645390
                3d
                   -2 :               0.00001932224992
                   -1 :               0.00000385603629
                   +0 :              -0.00005063686560
                   +1 :              -0.00000818182339
                   +2 :              -0.00000161011900
              2 vec=     3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00004638977572
                2s
                   +0 :              -0.00030399866333
                3s
                   +0 :               0.00022839906179
                2p
                   -1 :              -0.00017977195510
                   +0 :              -0.00031185077222
                   +1 :              -0.00019815041068
                3p
                   -1 :               0.00012228866611
                   +0 :               0.00033541043637
                   +1 :               0.00011200158633
                3d
                   -2 :              -0.00000542611003
                   -1 :               0.00002311360810
                   +0 :               0.00001688131307
                   +1 :              -0.00000191613841
                   +2 :               0.00000679317555
              3 vec=    -4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00003873521895
                2s
                   +0 :              -0.00036115501473
                3s
                   +0 :               0.00005895221846
                2p
                   -1 :               0.00040499037391
                   +0 :               0.00038339890493
                   +1 :              -0.00047635812058
                3p
                   -1 :              -0.00012321115634
                   +0 :              -0.00009277593858
                   +1 :               0.00027421649077
                3d
                   -2 :               0.00000388406609
                   -1 :              -0.00000540156352
                   +0 :              -0.00000094609440
                   +1 :              -0.00001292752422
                   +2 :               0.00001790471522
              4 vec=    -4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00012632966900
                2s
                   +0 :              -0.00094896243184
                3s
                   +0 :               0.00035769510217
                2p
                   -1 :               0.00013268834424
                   +0 :              -0.00071241852385
                   +1 :               0.00015638712155
                3p
                   -1 :               0.00013712635345
                   +0 :               0.00034111388233
                   +1 :              -0.00009840135306
                3d
                   -2 :               0.00003072699871
                   -1 :               0.00002772142531
                   +0 :               0.00001734703427
                   +1 :              -0.00003465616518
                   +2 :               0.00000202417111
              5 vec=    -4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00002970666224
                2s
                   +0 :              -0.00035990168699
                3s
                   +0 :               0.00007101699655
                2p
                   -1 :              -0.00012721509774
                   +0 :               0.00038048414527
                   +1 :               0.00002657666148
                3p
                   -1 :               0.00006938783865
                   +0 :              -0.00005698781833
                   +1 :               0.00008902113236
                3d
                   -2 :               0.00000058804621
                   -1 :              -0.00000632895702
                   +0 :              -0.00000131924552
                   +1 :              -0.00001709060457
                   +2 :              -0.00001474447302
              6 vec=    -4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00007693417381
                2s
                   +0 :              -0.00089744277252
                3s
                   +0 :               0.00015374556400
                2p
                   -1 :              -0.00000197384959
                   +0 :              -0.00060633445070
                   +1 :               0.00017752585328
                3p
                   -1 :              -0.00006849862145
                   +0 :               0.00009917284436
                   +1 :              -0.00002269974931
                3d
                   -2 :               0.00001765966827
                   -1 :              -0.00001918274632
                   +0 :              -0.00001008856169
                   +1 :               0.00000127495857
                   +2 :              -0.00000522382784
              7 vec=     3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001070869628
                2s
                   +0 :              -0.00002192127352
                3s
                   +0 :               0.00002785985167
                2p
                   -1 :               0.00014623057308
                   +0 :               0.00035591524136
                   +1 :              -0.00027331240986
                3p
                   -1 :              -0.00015521961447
                   +0 :              -0.00020318502227
                   +1 :               0.00018502676306
                3d
                   -2 :               0.00000558885892
                   -1 :               0.00000918369273
                   +0 :               0.00001784107841
                   +1 :              -0.00000780805153
                   +2 :              -0.00001447724206
              8 vec=     3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001266762436
                2s
                   +0 :              -0.00010496024516
                3s
                   +0 :               0.00000233653600
                2p
                   -1 :              -0.00000483389912
                   +0 :              -0.00018119858361
                   +1 :              -0.00015701681788
                3p
                   -1 :              -0.00000319029740
                   +0 :               0.00003149223351
                   +1 :               0.00012405747388
                3d
                   -2 :              -0.00001233703842
                   -1 :               0.00001115791886
                   +0 :              -0.00001356690802
                   +1 :               0.00001119851272
                   +2 :              -0.00000329644329
              9 vec=     3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000526412076
                2s
                   +0 :               0.00002698391390
                3s
                   +0 :              -0.00001471477999
                2p
                   -1 :               0.00001482647880
                   +0 :              -0.00006136778946
                   +1 :              -0.00006090203718
                3p
                   -1 :              -0.00001652205025
                   +0 :               0.00001997601154
                   +1 :               0.00001841782083
                3d
                   -2 :               0.00000338046759
                   -1 :              -0.00000468698278
                   +0 :              -0.00000265018498
                   +1 :               0.00000377587017
                   +2 :               0.00000165330261
             10 vec=     3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001378427291
                2s
                   +0 :               0.00010709417916
                3s
                   +0 :              -0.00004325824115
                2p
                   -1 :               0.00004751325164
                   +0 :               0.00000433316474
                   +1 :               0.00006282235924
                3p
                   -1 :              -0.00003121474355
                   +0 :               0.00004358100881
                   +1 :              -0.00007499852115
                3d
                   -2 :              -0.00000974506719
                   -1 :              -0.00000176164525
                   +0 :               0.00000403542640
                   +1 :              -0.00000513333504
                   +2 :               0.00000667967420
             11 vec=    10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001794661742
                2s
                   +0 :              -0.00008230044675
                3s
                   +0 :               0.00009417532376
                2p
                   -1 :               0.00017009720672
                   +0 :               0.00013086762324
                   +1 :              -0.00002841577815
                3p
                   -1 :              -0.00015539019380
                   +0 :              -0.00026990543352
                   +1 :               0.00009531622037
                3d
                   -2 :               0.00000138207587
                   -1 :               0.00000998209839
                   +0 :               0.00001913152087
                   +1 :              -0.00000653194652
                   +2 :              -0.00000840408471
             12 vec=    10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000653804697
                2s
                   +0 :               0.00009429129506
                3s
                   +0 :              -0.00000044746990
                2p
                   -1 :              -0.00010462012451
                   +0 :               0.00000921818156
                   +1 :              -0.00012090165518
                3p
                   -1 :               0.00005308381258
                   +0 :               0.00007047481148
                   +1 :               0.00010585467689
                3d
                   -2 :               0.00000489618158
                   -1 :               0.00000542351068
                   +0 :               0.00000490838263
                   +1 :               0.00000074504816
                   +2 :               0.00000339924366
             13 vec=    10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000896555647
                2s
                   +0 :               0.00009819372668
                3s
                   +0 :              -0.00001158325963
                2p
                   -1 :               0.00004008247069
                   +0 :              -0.00007695381525
                   +1 :               0.00009981939597
                3p
                   -1 :               0.00000779253224
                   +0 :              -0.00000126135069
                   +1 :              -0.00001082701156
                3d
                   -2 :               0.00000427239180
                   -1 :               0.00000242909443
                   +0 :               0.00000136253285
                   +1 :              -0.00000106490084
                   +2 :              -0.00000216307128
             14 vec=    10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002311718918
                2s
                   +0 :               0.00020433945688
                3s
                   +0 :              -0.00004937976491
                2p
                   -1 :               0.00013653767259
                   +0 :               0.00009276518783
                   +1 :               0.00005348666970
                3p
                   -1 :              -0.00008163668332
                   +0 :              -0.00001159089596
                   +1 :               0.00000474943447
                3d
                   -2 :              -0.00000219490822
                   -1 :              -0.00000373972384
                   +0 :               0.00000083685349
                   +1 :               0.00000105627636
                   +2 :               0.00000569670487
             15 vec=   -12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000445850486
                2s
                   +0 :              -0.00005335876804
                3s
                   +0 :               0.00001732421520
                2p
                   -1 :              -0.00007578925938
                   +0 :              -0.00004475706737
                   +1 :               0.00002968150699
                3p
                   -1 :               0.00008155735380
                   +0 :               0.00003719630243
                   +1 :              -0.00002769610997
                3d
                   -2 :              -0.00000936602461
                   -1 :              -0.00000581102924
                   +0 :              -0.00000233731379
                   +1 :               0.00000491372601
                   +2 :               0.00000448271524
             16 vec=   -12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001443907664
                2s
                   +0 :              -0.00011481232677
                3s
                   +0 :               0.00003209992834
                2p
                   -1 :              -0.00009273086563
                   +0 :              -0.00002691017402
                   +1 :               0.00007589953316
                3p
                   -1 :               0.00004841099894
                   +0 :               0.00001063896422
                   +1 :              -0.00004021142080
                3d
                   -2 :               0.00000288167555
                   -1 :               0.00000097333619
                   +0 :               0.00000139159625
                   +1 :              -0.00000364804483
                   +2 :               0.00000161459241
             17 vec=    -4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002509617557
                2s
                   +0 :              -0.00015895993843
                3s
                   +0 :               0.00008212156725
                2p
                   -1 :               0.00000576758537
                   +0 :               0.00012089342199
                   +1 :              -0.00001788216419
                3p
                   -1 :               0.00000988952227
                   +0 :              -0.00004481693104
                   +1 :              -0.00000903510643
                3d
                   -2 :              -0.00000146346143
                   -1 :              -0.00000260606193
                   +0 :               0.00000376921447
                   +1 :               0.00000560834747
                   +2 :               0.00000850448838
             18 vec=    -4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000328201123
                2s
                   +0 :              -0.00005282640619
                3s
                   +0 :              -0.00002872118868
                2p
                   -1 :              -0.00000755791739
                   +0 :              -0.00009818474332
                   +1 :              -0.00003700976707
                3p
                   -1 :               0.00004707655045
                   +0 :               0.00000033632797
                   +1 :               0.00004341962454
                3d
                   -2 :              -0.00000926334625
                   -1 :               0.00001186541701
                   +0 :              -0.00000926077092
                   +1 :               0.00001604814479
                   +2 :              -0.00000589043947
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 15)  npairs=  14
              1 vec=    -2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003648421800
                2s
                   +0 :              -0.00007467987149
                3s
                   +0 :               0.00016632381156
                2p
                   -1 :               0.00010453618370
                   +0 :               0.00022323771205
                   +1 :               0.00003522759650
                3p
                   -1 :               0.00001470436607
                   +0 :              -0.00042237985547
                   +1 :              -0.00011546885264
                3d
                   -2 :              -0.00002623552665
                   -1 :              -0.00001947775527
                   +0 :               0.00006586920447
                   +1 :               0.00000666384294
                   +2 :               0.00002145969004
              2 vec=    -2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00001178753019
                2s
                   +0 :              -0.00004113437440
                3s
                   +0 :              -0.00005669073405
                2p
                   -1 :               0.00014715109182
                   +0 :               0.00020654146875
                   +1 :               0.00015826163020
                3p
                   -1 :               0.00004742629997
                   +0 :              -0.00014620229567
                   +1 :              -0.00022916790900
                3d
                   -2 :              -0.00000108024529
                   -1 :               0.00001519267044
                   +0 :              -0.00001154970332
                   +1 :              -0.00002766536847
                   +2 :               0.00000182820801
              3 vec=     5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001247389611
                2s
                   +0 :               0.00021524416652
                3s
                   +0 :               0.00001361314317
                2p
                   -1 :              -0.00034932816907
                   +0 :              -0.00020267454914
                   +1 :              -0.00026037360776
                3p
                   -1 :               0.00007487253824
                   +0 :               0.00002107369701
                   +1 :               0.00012604443897
                3d
                   -2 :               0.00000896343844
                   -1 :               0.00000311371409
                   +0 :               0.00003072457451
                   +1 :               0.00000964723408
                   +2 :               0.00001599601517
              4 vec=     5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00003488217072
                2s
                   +0 :               0.00032046902093
                3s
                   +0 :              -0.00000503299103
                2p
                   -1 :              -0.00010505505473
                   +0 :              -0.00006560781574
                   +1 :               0.00002987442641
                3p
                   -1 :              -0.00008039193710
                   +0 :               0.00019211550501
                   +1 :              -0.00005266491842
                3d
                   -2 :               0.00000783022447
                   -1 :              -0.00003457539021
                   +0 :               0.00002251948174
                   +1 :               0.00001279305595
                   +2 :              -0.00000172824300
              5 vec=    -2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00005555194490
                2s
                   +0 :               0.00044597100108
                3s
                   +0 :              -0.00016698564307
                2p
                   -1 :              -0.00037105916588
                   +0 :              -0.00046852553745
                   +1 :              -0.00009104628769
                3p
                   -1 :               0.00020280283141
                   +0 :               0.00018463756319
                   +1 :               0.00004966564217
                3d
                   -2 :              -0.00000112299157
                   -1 :              -0.00000454854237
                   +0 :              -0.00000489412065
                   +1 :              -0.00001879587403
                   +2 :               0.00001426275867
              6 vec=    -2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00003034519946
                2s
                   +0 :               0.00021960883781
                3s
                   +0 :              -0.00005413300438
                2p
                   -1 :               0.00007944068639
                   +0 :               0.00006775864322
                   +1 :               0.00015203919164
                3p
                   -1 :              -0.00007494444877
                   +0 :               0.00001675983665
                   +1 :              -0.00015066489326
                3d
                   -2 :               0.00000021678299
                   -1 :              -0.00000517553327
                   +0 :               0.00000864303672
                   +1 :               0.00000653186457
                   +2 :              -0.00000705053252
              7 vec=     5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00000245747496
                2s
                   +0 :               0.00013982230437
                3s
                   +0 :               0.00005048132590
                2p
                   -1 :              -0.00010823873863
                   +0 :              -0.00005427624057
                   +1 :               0.00010894771934
                3p
                   -1 :               0.00010750736642
                   +0 :              -0.00019445410451
                   +1 :               0.00000346803996
                3d
                   -2 :               0.00001074940468
                   -1 :              -0.00001630866007
                   +0 :               0.00001433553165
                   +1 :              -0.00002279022287
                   +2 :               0.00001185154629
              8 vec=     5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000735124621
                2s
                   +0 :               0.00014183039833
                3s
                   +0 :               0.00007182191856
                2p
                   -1 :               0.00006226282693
                   +0 :               0.00010816190040
                   +1 :               0.00023143397731
                3p
                   -1 :              -0.00011373598823
                   +0 :               0.00011640618160
                   +1 :              -0.00007710001000
                3d
                   -2 :              -0.00000679286106
                   -1 :              -0.00000550885777
                   +0 :               0.00002414583711
                   +1 :               0.00001647418175
                   +2 :               0.00001141266238
              9 vec=   -10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001348054678
                2s
                   +0 :               0.00009397388839
                3s
                   +0 :              -0.00005331634666
                2p
                   -1 :               0.00015630802216
                   +0 :              -0.00006163346551
                   +1 :               0.00006551091991
                3p
                   -1 :              -0.00007828724273
                   +0 :               0.00012701219694
                   +1 :              -0.00004073660179
                3d
                   -2 :              -0.00000371390954
                   -1 :               0.00001281127954
                   +0 :              -0.00001918791419
                   +1 :               0.00000143714598
                   +2 :               0.00000652082355
             10 vec=   -10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001289861282
                2s
                   +0 :              -0.00016503189145
                3s
                   +0 :               0.00003260597847
                2p
                   -1 :              -0.00001917300367
                   +0 :              -0.00004757453978
                   +1 :               0.00003488544297
                3p
                   -1 :               0.00003815631939
                   +0 :              -0.00001879861722
                   +1 :              -0.00000770424690
                3d
                   -2 :               0.00000217368142
                   -1 :               0.00001126485712
                   +0 :              -0.00000626595562
                   +1 :              -0.00000503042517
                   +2 :              -0.00000910559666
             11 vec=    -2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000678883545
                2s
                   +0 :              -0.00004417894172
                3s
                   +0 :               0.00002289676748
                2p
                   -1 :               0.00002050311025
                   +0 :               0.00002566885657
                   +1 :              -0.00002816528648
                3p
                   -1 :              -0.00003228031986
                   +0 :               0.00001558080182
                   +1 :               0.00001885393196
                3d
                   -2 :               0.00000144825715
                   -1 :              -0.00000093914683
                   +0 :               0.00000305213288
                   +1 :               0.00000145409024
                   +2 :              -0.00000342036185
             12 vec=    -2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001372214786
                2s
                   +0 :               0.00015394701009
                3s
                   +0 :               0.00001941104123
                2p
                   -1 :               0.00009214983758
                   +0 :               0.00007515656342
                   +1 :              -0.00010025484211
                3p
                   -1 :              -0.00004620549056
                   +0 :               0.00010698155094
                   +1 :               0.00003642602001
                3d
                   -2 :              -0.00000201455523
                   -1 :               0.00002118041851
                   +0 :               0.00002837033863
                   +1 :              -0.00000189295195
                   +2 :               0.00000162826549
             13 vec=   -10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001070057117
                2s
                   +0 :               0.00000539301602
                3s
                   +0 :              -0.00004921515301
                2p
                   -1 :              -0.00002521973094
                   +0 :               0.00003933581033
                   +1 :               0.00010645123245
                3p
                   -1 :               0.00002155011207
                   +0 :               0.00004899351789
                   +1 :              -0.00001535964356
                3d
                   -2 :              -0.00000353172139
                   -1 :               0.00000375937494
                   +0 :              -0.00000635148256
                   +1 :               0.00000220343362
                   +2 :              -0.00000469911871
             14 vec=   -10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002131145864
                2s
                   +0 :              -0.00019721315256
                3s
                   +0 :               0.00004089085577
                2p
                   -1 :              -0.00007272909869
                   +0 :              -0.00007292306535
                   +1 :               0.00004353856964
                3p
                   -1 :               0.00004564520703
                   +0 :               0.00001587665538
                   +1 :               0.00003526723601
                3d
                   -2 :              -0.00000042129695
                   -1 :               0.00001240827530
                   +0 :               0.00000164521372
                   +1 :               0.00000340526352
                   +2 :              -0.00001514082221
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 16)  npairs=  12
              1 vec=    -4.767684     -0.000000      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00500367985892
                2s
                   +0 :              -0.11470031647204
                3s
                   +0 :               0.01180413269516
                2p
                   -1 :              -0.00735580234475
                   +0 :               0.00422145632670
                   +1 :               0.07073702588483
                3p
                   -1 :               0.00370396722082
                   +0 :              -0.00386889425791
                   +1 :              -0.00990049125163
                3d
                   -2 :              -0.00123334218782
                   -1 :              -0.00105621166260
                   +0 :               0.00237745705922
                   +1 :               0.00014843021323
                   +2 :              -0.00357930741191
              2 vec=     3.012479     -4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00015162802087
                2s
                   +0 :               0.02690483394896
                3s
                   +0 :               0.00464202476016
                2p
                   -1 :              -0.02135311679916
                   +0 :               0.00321677076520
                   +1 :               0.00805550411638
                3p
                   -1 :              -0.00444345067871
                   +0 :              -0.00350685795255
                   +1 :               0.00213685106485
                3d
                   -2 :              -0.00189627104313
                   -1 :               0.00069619817441
                   +0 :              -0.00126921798762
                   +1 :               0.00053581154332
                   +2 :              -0.00148250869247
              3 vec=     3.012479      4.491879      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00151920595709
                2s
                   +0 :               0.03018188614280
                3s
                   +0 :              -0.00282724695545
                2p
                   -1 :               0.02125147880154
                   +0 :               0.00202655118153
                   +1 :               0.00958963690466
                3p
                   -1 :              -0.00251235911225
                   +0 :              -0.00154365535504
                   +1 :              -0.00042633334620
                3d
                   -2 :               0.00083866363417
                   -1 :               0.00033470812844
                   +0 :              -0.00077831205678
                   +1 :               0.00029251081961
                   +2 :              -0.00115265286784
              4 vec=    -4.767684     -8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00028011150999
                2s
                   +0 :              -0.00296023290308
                3s
                   +0 :               0.00018066643316
                2p
                   -1 :               0.00390904953920
                   +0 :              -0.00005480881029
                   +1 :               0.00125511814771
                3p
                   -1 :               0.00015745192078
                   +0 :               0.00022272566496
                   +1 :              -0.00002198868470
                3d
                   -2 :              -0.00025473294273
                   -1 :              -0.00009349351531
                   +0 :               0.00019458481358
                   +1 :              -0.00000658405483
                   +2 :               0.00015088886553
              5 vec=    -4.767684      8.983758      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00022912187325
                2s
                   +0 :              -0.00251562482900
                3s
                   +0 :               0.00043708597368
                2p
                   -1 :              -0.00258399963061
                   +0 :              -0.00038144117727
                   +1 :               0.00173106358786
                3p
                   -1 :               0.00054690703460
                   +0 :               0.00019378141278
                   +1 :              -0.00073276894709
                3d
                   -2 :               0.00002206071227
                   -1 :              -0.00006344385110
                   +0 :              -0.00005022627966
                   +1 :              -0.00002048357526
                   +2 :               0.00006368817426
              6 vec=    10.792642      0.000000      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00100062062863
                2s
                   +0 :               0.00827496791774
                3s
                   +0 :              -0.00251828300616
                2p
                   -1 :              -0.00008554992015
                   +0 :              -0.00163860289975
                   +1 :               0.00785079402878
                3p
                   -1 :              -0.00010352698022
                   +0 :               0.00157747436356
                   +1 :              -0.00266353342089
                3d
                   -2 :              -0.00005472479069
                   -1 :               0.00005049305733
                   +0 :              -0.00006199859503
                   +1 :               0.00009166160812
                   +2 :               0.00006917998607
              7 vec=   -12.547846     -4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00001995623808
                2s
                   +0 :              -0.00061295188814
                3s
                   +0 :              -0.00002340293048
                2p
                   -1 :               0.00033933706038
                   +0 :              -0.00010785176348
                   +1 :              -0.00017414847520
                3p
                   -1 :              -0.00012154218894
                   +0 :               0.00011569515796
                   +1 :               0.00026498010405
                3d
                   -2 :               0.00003281589184
                   -1 :              -0.00000692574166
                   +0 :               0.00003035571387
                   +1 :               0.00000914834682
                   +2 :              -0.00000574174413
              8 vec=   -12.547846      4.491879      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00007320955725
                2s
                   +0 :              -0.00100068749316
                3s
                   +0 :               0.00001221187247
                2p
                   -1 :              -0.00042358163814
                   +0 :               0.00006961831096
                   +1 :              -0.00029425583084
                3p
                   -1 :              -0.00009982468821
                   +0 :              -0.00008577916030
                   +1 :               0.00033489815618
                3d
                   -2 :               0.00000437469047
                   -1 :              -0.00001887451282
                   +0 :               0.00002705960442
                   +1 :               0.00000497857361
                   +2 :               0.00003889667990
              9 vec=     3.012479    -13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00005302445446
                2s
                   +0 :              -0.00038877846122
                3s
                   +0 :               0.00014398604810
                2p
                   -1 :               0.00034444130687
                   +0 :              -0.00010514035040
                   +1 :              -0.00056665114498
                3p
                   -1 :              -0.00019276700058
                   +0 :               0.00010480102958
                   +1 :               0.00011585162135
                3d
                   -2 :               0.00004116922682
                   -1 :              -0.00000111616343
                   +0 :              -0.00002964487939
                   +1 :              -0.00000465397470
                   +2 :              -0.00000069826018
             10 vec=     3.012479     13.475637      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00000598092535
                2s
                   +0 :               0.00010278914614
                3s
                   +0 :              -0.00003150670430
                2p
                   -1 :               0.00006912164687
                   +0 :              -0.00005209287654
                   +1 :              -0.00022002096486
                3p
                   -1 :              -0.00005449978548
                   +0 :               0.00003681483965
                   +1 :              -0.00011983172484
                3d
                   -2 :              -0.00005230808800
                   -1 :               0.00000051370109
                   +0 :               0.00001441369773
                   +1 :              -0.00001598075045
                   +2 :               0.00000772277802
             11 vec=    10.792642     -8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00009413305577
                2s
                   +0 :               0.00091065468687
                3s
                   +0 :              -0.00024029617178
                2p
                   -1 :               0.00002643585374
                   +0 :               0.00008943938957
                   +1 :               0.00072874070825
                3p
                   -1 :              -0.00003065215555
                   +0 :              -0.00006407140984
                   +1 :              -0.00036423159457
                3d
                   -2 :               0.00002447293406
                   -1 :              -0.00000258467975
                   +0 :               0.00002633205302
                   +1 :              -0.00000334084829
                   +2 :              -0.00000898828542
             12 vec=    10.792642      8.983758      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00005166121971
                2s
                   +0 :               0.00071190299853
                3s
                   +0 :              -0.00013372822564
                2p
                   -1 :               0.00028486582381
                   +0 :               0.00007307800269
                   +1 :               0.00029596782612
                3p
                   -1 :               0.00001970054512
                   +0 :              -0.00004900578542
                   +1 :               0.00000071705542
                3d
                   -2 :               0.00000705546513
                   -1 :               0.00000990817130
                   +0 :              -0.00000775147300
                   +1 :              -0.00000013710601
                   +2 :              -0.00001361218318
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 17)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00145764425855
                2s
                   +0 :              -0.00220669825053
                3s
                   +0 :              -0.00624697628262
                2p
                   -1 :              -0.00853455167137
                   +0 :               0.01481164217471
                   +1 :               0.86819779982266
                3p
                   -1 :               0.00386473474487
                   +0 :              -0.00541495000484
                   +1 :              -0.03848470752753
                3d
                   -2 :              -0.00375776221252
                   -1 :               0.00083914912968
                   +0 :              -0.00131298057041
                   +1 :              -0.00235631925722
                   +2 :              -0.00072006913624
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00012124795853
                2s
                   +0 :              -0.00103981143168
                3s
                   +0 :              -0.00011059170134
                2p
                   -1 :               0.00372389621385
                   +0 :              -0.00027196428893
                   +1 :               0.00198784802419
                3p
                   -1 :              -0.00107626922025
                   +0 :               0.00024755076980
                   +1 :              -0.00096140134976
                3d
                   -2 :               0.00008381489213
                   -1 :               0.00000205663038
                   +0 :              -0.00004749525730
                   +1 :              -0.00004111657691
                   +2 :               0.00013199767533
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008704230714
                2s
                   +0 :              -0.00057263071518
                3s
                   +0 :              -0.00021022235226
                2p
                   -1 :              -0.00119819978208
                   +0 :               0.00145579767187
                   +1 :               0.00051479306073
                3p
                   -1 :              -0.00116233609599
                   +0 :              -0.00133661628803
                   +1 :               0.00014546279710
                3d
                   -2 :               0.00011015321779
                   -1 :               0.00002686473153
                   +0 :               0.00014959051736
                   +1 :               0.00001508068023
                   +2 :               0.00030928193843
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027860904615
                2s
                   +0 :               0.00133824524204
                3s
                   +0 :              -0.00116660695755
                2p
                   -1 :              -0.00000509156362
                   +0 :              -0.00049695038182
                   +1 :              -0.00267360494972
                3p
                   -1 :               0.00127095231930
                   +0 :               0.00034964881817
                   +1 :               0.00035770231015
                3d
                   -2 :               0.00023199629432
                   -1 :               0.00000493013964
                   +0 :               0.00006913027234
                   +1 :              -0.00006041711811
                   +2 :               0.00011950561871
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028809868047
                2s
                   +0 :              -0.00205888253802
                3s
                   +0 :               0.00108428793309
                2p
                   -1 :              -0.00224252871897
                   +0 :               0.00017917431916
                   +1 :              -0.00306006732048
                3p
                   -1 :               0.00167039542212
                   +0 :              -0.00009570043180
                   +1 :               0.00105011832192
                3d
                   -2 :               0.00002026720693
                   -1 :              -0.00006254975787
                   +0 :              -0.00000303982377
                   +1 :              -0.00002227763890
                   +2 :              -0.00004779806990
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008841276777
                2s
                   +0 :              -0.00103313874289
                3s
                   +0 :               0.00072288027808
                2p
                   -1 :               0.00101392540893
                   +0 :              -0.00016599941591
                   +1 :              -0.00048110924689
                3p
                   -1 :              -0.00102831864179
                   +0 :               0.00013127740407
                   +1 :               0.00115612450347
                3d
                   -2 :              -0.00011155420280
                   -1 :               0.00010360463025
                   +0 :               0.00014433446026
                   +1 :               0.00011110339716
                   +2 :               0.00020705601450
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00047867789123
                2s
                   +0 :               0.00171344901740
                3s
                   +0 :              -0.00023807136272
                2p
                   -1 :               0.00164571830619
                   +0 :              -0.00003182811956
                   +1 :               0.00070165323677
                3p
                   -1 :               0.00061126305204
                   +0 :               0.00007787746626
                   +1 :              -0.00001250439026
                3d
                   -2 :              -0.00001040969279
                   -1 :              -0.00021837237233
                   +0 :              -0.00010563323063
                   +1 :               0.00001316158770
                   +2 :              -0.00029538313047
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00012733071545
                2s
                   +0 :              -0.00140412156051
                3s
                   +0 :               0.00023839423144
                2p
                   -1 :               0.00002295891191
                   +0 :              -0.00015816974874
                   +1 :               0.00129797936154
                3p
                   -1 :               0.00001655293455
                   +0 :               0.00015410692389
                   +1 :              -0.00017352827641
                3d
                   -2 :              -0.00001689077928
                   -1 :               0.00002409894415
                   +0 :               0.00003572055684
                   +1 :              -0.00000919712812
                   +2 :              -0.00006049151706
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00009101284998
                2s
                   +0 :              -0.00089454054113
                3s
                   +0 :               0.00021782843465
                2p
                   -1 :               0.00078631871146
                   +0 :               0.00020770020895
                   +1 :               0.00031945619974
                3p
                   -1 :              -0.00022725742172
                   +0 :              -0.00019678069154
                   +1 :              -0.00002922013701
                3d
                   -2 :              -0.00002626151830
                   -1 :               0.00000772069306
                   +0 :               0.00001218636028
                   +1 :              -0.00001009974919
                   +2 :               0.00000071398605
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002064167542
                2s
                   +0 :              -0.00035214940186
                3s
                   +0 :              -0.00000254831959
                2p
                   -1 :              -0.00027689149058
                   +0 :               0.00009153042722
                   +1 :               0.00008178887434
                3p
                   -1 :              -0.00003497858277
                   +0 :              -0.00006560014155
                   +1 :               0.00007599951644
                3d
                   -2 :               0.00002146745187
                   -1 :              -0.00000585509400
                   +0 :               0.00001699413726
                   +1 :              -0.00000812389492
                   +2 :               0.00000225960030
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00005914218200
                2s
                   +0 :               0.00073437851439
                3s
                   +0 :              -0.00011023528329
                2p
                   -1 :              -0.00099365181998
                   +0 :               0.00005337967822
                   +1 :               0.00013353765455
                3p
                   -1 :               0.00028127120799
                   +0 :              -0.00002650861821
                   +1 :               0.00003921866894
                3d
                   -2 :              -0.00003125086178
                   -1 :               0.00000885077691
                   +0 :              -0.00000235069734
                   +1 :               0.00000522312855
                   +2 :              -0.00001077767864
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001978474052
                2s
                   +0 :               0.00044215359877
                3s
                   +0 :              -0.00002299132610
                2p
                   -1 :               0.00043557631725
                   +0 :               0.00005531911758
                   +1 :               0.00034224925052
                3p
                   -1 :              -0.00002534688873
                   +0 :              -0.00006474352045
                   +1 :              -0.00010071957123
                3d
                   -2 :               0.00001841855236
                   -1 :              -0.00001922162359
                   +0 :              -0.00001564565978
                   +1 :              -0.00000003434013
                   +2 :              -0.00001656314000
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001018747553
                2s
                   +0 :               0.00070076221937
                3s
                   +0 :               0.00005803943722
                2p
                   -1 :               0.00022101516438
                   +0 :              -0.00031941224785
                   +1 :               0.00124003700309
                3p
                   -1 :              -0.00014424622251
                   +0 :               0.00032024655225
                   +1 :              -0.00030170357775
                3d
                   -2 :              -0.00003117747493
                   -1 :              -0.00002087209010
                   +0 :               0.00000298412438
                   +1 :               0.00004787193418
                   +2 :               0.00002347657834
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000996936870
                2s
                   +0 :              -0.00010671770764
                3s
                   +0 :               0.00001189778550
                2p
                   -1 :               0.00005459034628
                   +0 :               0.00000992201856
                   +1 :               0.00010239018076
                3p
                   -1 :              -0.00002201824911
                   +0 :              -0.00000450215132
                   +1 :              -0.00001350452954
                3d
                   -2 :               0.00000202896901
                   -1 :               0.00000037931286
                   +0 :               0.00000025364053
                   +1 :               0.00000013088109
                   +2 :              -0.00000337306606
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001870018819
                2s
                   +0 :              -0.00020461609337
                3s
                   +0 :               0.00004663292724
                2p
                   -1 :              -0.00006364414156
                   +0 :               0.00000940786462
                   +1 :               0.00014822248760
                3p
                   -1 :              -0.00001199675795
                   +0 :              -0.00000215919363
                   +1 :              -0.00002963184688
                3d
                   -2 :               0.00000026762965
                   -1 :               0.00000565169463
                   +0 :               0.00000158052964
                   +1 :              -0.00000095636940
                   +2 :               0.00000192908066
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000567732135
                2s
                   +0 :               0.00003253547055
                3s
                   +0 :              -0.00001075294366
                2p
                   -1 :              -0.00005888572437
                   +0 :              -0.00004723433471
                   +1 :              -0.00007704859090
                3p
                   -1 :               0.00004942818478
                   +0 :               0.00004044527168
                   +1 :               0.00003209946526
                3d
                   -2 :               0.00000094304121
                   -1 :              -0.00000215540512
                   +0 :              -0.00000160804642
                   +1 :              -0.00000191828951
                   +2 :              -0.00000081875714
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000577873477
                2s
                   +0 :               0.00004226290421
                3s
                   +0 :              -0.00002176439048
                2p
                   -1 :               0.00006388616981
                   +0 :               0.00001934282240
                   +1 :              -0.00003448036935
                3p
                   -1 :              -0.00004526328539
                   +0 :              -0.00001813690741
                   +1 :              -0.00000152237634
                3d
                   -2 :              -0.00000319986646
                   -1 :              -0.00000191600551
                   +0 :               0.00000033934187
                   +1 :               0.00000122795477
                   +2 :               0.00000314027782
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001202292601
                2s
                   +0 :               0.00015216063778
                3s
                   +0 :              -0.00002408175230
                2p
                   -1 :              -0.00008907627708
                   +0 :               0.00004330744812
                   +1 :               0.00014574821478
                3p
                   -1 :               0.00000317934636
                   +0 :              -0.00002703512953
                   +1 :              -0.00003478510885
                3d
                   -2 :               0.00000052183859
                   -1 :              -0.00000263139964
                   +0 :              -0.00000341346454
                   +1 :              -0.00000455519225
                   +2 :              -0.00000397691235
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001055780281
                2s
                   +0 :               0.00009640927904
                3s
                   +0 :              -0.00000603123402
                2p
                   -1 :               0.00000708966119
                   +0 :              -0.00000587553729
                   +1 :               0.00005701466173
                3p
                   -1 :               0.00001892601791
                   +0 :               0.00000417959866
                   +1 :               0.00001916312808
                3d
                   -2 :              -0.00000337179461
                   -1 :              -0.00000147239509
                   +0 :               0.00000066584744
                   +1 :               0.00000354855547
                   +2 :              -0.00000044095043
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 18)  npairs=  12
              1 vec=    -2.383842     -4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00163294083123
                2s
                   +0 :              -0.05497962295183
                3s
                   +0 :               0.00414402559771
                2p
                   -1 :               0.04165264663489
                   +0 :              -0.00374061510828
                   +1 :               0.00827713009539
                3p
                   -1 :              -0.00748141587649
                   +0 :               0.00199680716758
                   +1 :              -0.00180221549375
                3d
                   -2 :              -0.00127105011226
                   -1 :              -0.00037844453241
                   +0 :               0.00055201305290
                   +1 :               0.00048781726040
                   +2 :               0.00124515511222
              2 vec=    -2.383842      4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00213148420839
                2s
                   +0 :              -0.02809635205315
                3s
                   +0 :               0.00547225017127
                2p
                   -1 :              -0.01779199746762
                   +0 :              -0.00052242771668
                   +1 :               0.00260979300940
                3p
                   -1 :               0.00325634900341
                   +0 :               0.00024671971963
                   +1 :               0.00080420913333
                3d
                   -2 :               0.00045438271136
                   -1 :              -0.00005165374551
                   +0 :               0.00039418490208
                   +1 :               0.00042693452504
                   +2 :               0.00070472095916
              3 vec=     5.396321      0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00074735832547
                2s
                   +0 :               0.04741137639687
                3s
                   +0 :               0.00278901891846
                2p
                   -1 :               0.00313890669588
                   +0 :               0.00373968279841
                   +1 :               0.03407439719770
                3p
                   -1 :               0.00314420210523
                   +0 :              -0.00435741512261
                   +1 :               0.00664016279914
                3d
                   -2 :               0.00038867662685
                   -1 :               0.00003265565027
                   +0 :              -0.00191210405321
                   +1 :              -0.00099552402861
                   +2 :               0.00350261744551
              4 vec=   -10.164004      0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00051316790079
                2s
                   +0 :              -0.00601067089484
                3s
                   +0 :               0.00038050550132
                2p
                   -1 :              -0.00149771843693
                   +0 :              -0.00040681839413
                   +1 :               0.00836506085117
                3p
                   -1 :               0.00012976982411
                   +0 :              -0.00000333565413
                   +1 :              -0.00072251997068
                3d
                   -2 :               0.00002198849976
                   -1 :              -0.00001255417814
                   +0 :               0.00018947191653
                   +1 :               0.00011218346286
                   +2 :              -0.00043464186008
              5 vec=     5.396321     -8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00074585609345
                2s
                   +0 :               0.00605296158871
                3s
                   +0 :              -0.00163100077714
                2p
                   -1 :              -0.00588107729400
                   +0 :               0.00018936060658
                   +1 :               0.00066450693545
                3p
                   -1 :               0.00136545655642
                   +0 :              -0.00017140380198
                   +1 :               0.00113555255879
                3d
                   -2 :              -0.00035259289276
                   -1 :               0.00007130801781
                   +0 :              -0.00038423820254
                   +1 :              -0.00011372045343
                   +2 :              -0.00005462179640
              6 vec=     5.396321      9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00031432767372
                2s
                   +0 :               0.00318248834845
                3s
                   +0 :              -0.00061087253146
                2p
                   -1 :               0.00340135438284
                   +0 :               0.00037577211926
                   +1 :               0.00080013798349
                3p
                   -1 :              -0.00086253995943
                   +0 :              -0.00035609658539
                   +1 :              -0.00006658815019
                3d
                   -2 :               0.00007047528325
                   -1 :               0.00002198776896
                   +0 :              -0.00006852043091
                   +1 :              -0.00008180945889
                   +2 :              -0.00009887124358
              7 vec=   -10.164004     -8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00004549851027
                2s
                   +0 :              -0.00093516180197
                3s
                   +0 :               0.00002639253919
                2p
                   -1 :              -0.00003465550359
                   +0 :               0.00004472012670
                   +1 :               0.00037830959312
                3p
                   -1 :               0.00037871305263
                   +0 :              -0.00006210230191
                   +1 :              -0.00002553915782
                3d
                   -2 :              -0.00003586527721
                   -1 :              -0.00000712873877
                   +0 :               0.00002593055625
                   +1 :               0.00000128809849
                   +2 :               0.00003137305155
              8 vec=    -2.383842    -13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00008362009186
                2s
                   +0 :              -0.00065778262278
                3s
                   +0 :               0.00013939303680
                2p
                   -1 :              -0.00011282852613
                   +0 :              -0.00016375524658
                   +1 :              -0.00039317617265
                3p
                   -1 :               0.00018190979789
                   +0 :               0.00015897124265
                   +1 :               0.00012511909698
                3d
                   -2 :               0.00001222962983
                   -1 :              -0.00001413079556
                   +0 :               0.00002564023331
                   +1 :               0.00001356564153
                   +2 :              -0.00001245910064
              9 vec=   -10.164004      9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00005567623332
                2s
                   +0 :              -0.00074857426219
                3s
                   +0 :               0.00006914297822
                2p
                   -1 :              -0.00081343991165
                   +0 :              -0.00002662137317
                   +1 :               0.00022274281296
                3p
                   -1 :               0.00032226638636
                   +0 :               0.00000734506091
                   +1 :               0.00008917863029
                3d
                   -2 :               0.00000046708446
                   -1 :               0.00000473339613
                   +0 :               0.00000734491034
                   +1 :               0.00001250939646
                   +2 :              -0.00002280824849
             10 vec=    13.176483     -4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00006240895528
                2s
                   +0 :               0.00087063128991
                3s
                   +0 :              -0.00017735515756
                2p
                   -1 :              -0.00072153621687
                   +0 :               0.00005602698284
                   +1 :               0.00025135262822
                3p
                   -1 :               0.00023556706453
                   +0 :              -0.00004953884469
                   +1 :              -0.00004147193856
                3d
                   -2 :              -0.00000537633041
                   -1 :               0.00002706396800
                   +0 :              -0.00001072935514
                   +1 :               0.00000073733382
                   +2 :              -0.00001245641833
             11 vec=    -2.383842     13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00000422376511
                2s
                   +0 :              -0.00004767860169
                3s
                   +0 :              -0.00004148949317
                2p
                   -1 :              -0.00004396932796
                   +0 :               0.00013334947440
                   +1 :              -0.00013765513280
                3p
                   -1 :               0.00001304982559
                   +0 :              -0.00012149667064
                   +1 :              -0.00002391547817
                3d
                   -2 :              -0.00000544615809
                   -1 :              -0.00000180169764
                   +0 :               0.00000860330741
                   +1 :               0.00001174218267
                   +2 :              -0.00000587491247
             12 vec=    13.176483      4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00000184036106
                2s
                   +0 :               0.00030784871340
                3s
                   +0 :              -0.00001828677502
                2p
                   -1 :              -0.00001360727315
                   +0 :              -0.00018103403303
                   +1 :               0.00006522840862
                3p
                   -1 :               0.00010023031706
                   +0 :               0.00015939658550
                   +1 :               0.00002581957770
                3d
                   -2 :              -0.00001386217698
                   -1 :               0.00000588669273
                   +0 :              -0.00000729674678
                   +1 :               0.00000236798964
                   +2 :              -0.00001386135817
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 19)  npairs=  14
              1 vec=    -2.593128      1.739106     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00037874139794
                2s
                   +0 :              -0.03022608580700
                3s
                   +0 :              -0.00062509169986
                2p
                   -1 :              -0.00291059846996
                   +0 :               0.01945430695438
                   +1 :               0.00497475421039
                3p
                   -1 :              -0.00683027942582
                   +0 :              -0.00007082580852
                   +1 :               0.00290603509241
                3d
                   -2 :               0.00071685282735
                   -1 :               0.00108162737638
                   +0 :              -0.00078527445808
                   +1 :              -0.00166982751095
                   +2 :               0.00020621399381
              2 vec=     5.187034     -2.752773     -4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00122728273905
                2s
                   +0 :               0.01091102068708
                3s
                   +0 :              -0.00527184239363
                2p
                   -1 :              -0.00619813020451
                   +0 :              -0.01167965708153
                   +1 :               0.01409069069601
                3p
                   -1 :               0.00370098445215
                   +0 :               0.00776213442102
                   +1 :              -0.01141554336674
                3d
                   -2 :               0.00060103403141
                   -1 :              -0.00051160969600
                   +0 :              -0.00040120062289
                   +1 :               0.00104641555480
                   +2 :              -0.00048456686035
              3 vec=    -2.593128     -7.244652     -4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00028417974185
                2s
                   +0 :              -0.00170776699647
                3s
                   +0 :               0.00077552514583
                2p
                   -1 :               0.00062510586789
                   +0 :               0.00199437384740
                   +1 :              -0.00238033270133
                3p
                   -1 :              -0.00021804795356
                   +0 :               0.00005886759753
                   +1 :               0.00142709905304
                3d
                   -2 :              -0.00010625964026
                   -1 :              -0.00011825492478
                   +0 :              -0.00017527692866
                   +1 :               0.00010168769419
                   +2 :               0.00003853411853
              4 vec=     5.187034      6.230985     -4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00005806725239
                2s
                   +0 :              -0.00049905065120
                3s
                   +0 :               0.00048346203650
                2p
                   -1 :              -0.00052087892768
                   +0 :              -0.00070991336584
                   +1 :               0.00181656821348
                3p
                   -1 :               0.00091177376960
                   +0 :              -0.00010443925045
                   +1 :              -0.00131136583773
                3d
                   -2 :              -0.00002797620815
                   -1 :               0.00005492887651
                   +0 :               0.00005413138077
                   +1 :               0.00003991716632
                   +2 :               0.00000018274462
              5 vec=   -10.373291     -2.752773     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00016858196776
                2s
                   +0 :               0.00063430554078
                3s
                   +0 :              -0.00075818476025
                2p
                   -1 :               0.00062178617439
                   +0 :               0.00024413787340
                   +1 :              -0.00111314691331
                3p
                   -1 :              -0.00027736686131
                   +0 :               0.00025811421314
                   +1 :               0.00155046080033
                3d
                   -2 :              -0.00000639534571
                   -1 :              -0.00004860458314
                   +0 :               0.00003373021335
                   +1 :               0.00000214782650
                   +2 :              -0.00009736326808
              6 vec=    -2.593128     10.722864     -4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00002900097120
                2s
                   +0 :              -0.00030806361157
                3s
                   +0 :               0.00012671598955
                2p
                   -1 :              -0.00046779927057
                   +0 :               0.00007162086076
                   +1 :               0.00013640849670
                3p
                   -1 :               0.00033672296791
                   +0 :              -0.00004144544594
                   +1 :              -0.00027686785752
                3d
                   -2 :              -0.00002208085622
                   -1 :              -0.00000963576416
                   +0 :              -0.00000352463570
                   +1 :               0.00001245975442
                   +2 :              -0.00001587604735
              7 vec=   -10.373291      6.230985     -4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00002573424661
                2s
                   +0 :              -0.00021490008864
                3s
                   +0 :              -0.00015342398424
                2p
                   -1 :               0.00058641579691
                   +0 :               0.00000142985518
                   +1 :              -0.00038988782828
                3p
                   -1 :              -0.00049063730498
                   +0 :               0.00013321585372
                   +1 :               0.00049649805314
                3d
                   -2 :               0.00000841664261
                   -1 :              -0.00000707479288
                   +0 :               0.00000665118981
                   +1 :              -0.00002513848509
                   +2 :              -0.00002005829687
              8 vec=     5.187034    -11.736531     -4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00006230646754
                2s
                   +0 :               0.00047487173877
                3s
                   +0 :              -0.00009035641797
                2p
                   -1 :               0.00012886747607
                   +0 :               0.00012045799274
                   +1 :               0.00048983865267
                3p
                   -1 :              -0.00014074004709
                   +0 :              -0.00026821595243
                   +1 :              -0.00052499995149
                3d
                   -2 :               0.00004590698854
                   -1 :               0.00004734259667
                   +0 :               0.00001922672058
                   +1 :              -0.00000865264215
                   +2 :              -0.00005000074801
              9 vec=    12.967197      1.739106     -4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00010134207760
                2s
                   +0 :              -0.00016068791174
                3s
                   +0 :               0.00035650297472
                2p
                   -1 :              -0.00011427989090
                   +0 :               0.00009869496812
                   +1 :               0.00081653590929
                3p
                   -1 :               0.00013235033736
                   +0 :              -0.00012967078519
                   +1 :              -0.00061322324094
                3d
                   -2 :               0.00000827772678
                   -1 :               0.00001465876487
                   +0 :               0.00002328200464
                   +1 :               0.00003194557442
                   +2 :              -0.00001745181702
             10 vec=    12.967197     -7.244652     -4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00002756285988
                2s
                   +0 :              -0.00014284685163
                3s
                   +0 :               0.00017632060742
                2p
                   -1 :               0.00016363361056
                   +0 :              -0.00007464825602
                   +1 :              -0.00009669394912
                3p
                   -1 :              -0.00019034347957
                   +0 :               0.00001592246687
                   +1 :               0.00013813226839
                3d
                   -2 :              -0.00001592387859
                   -1 :               0.00001022164658
                   +0 :               0.00001336320437
                   +1 :               0.00000523173691
                   +2 :              -0.00000616654845
             11 vec=   -10.373291    -11.736531     -4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00001834033455
                2s
                   +0 :               0.00006493135179
                3s
                   +0 :              -0.00009588910704
                2p
                   -1 :              -0.00008609569429
                   +0 :               0.00013152370534
                   +1 :              -0.00024910968435
                3p
                   -1 :               0.00016656180429
                   +0 :              -0.00004541928193
                   +1 :               0.00027021448320
                3d
                   -2 :              -0.00002627366714
                   -1 :               0.00000108716721
                   +0 :               0.00001609390208
                   +1 :              -0.00000583323808
                   +2 :               0.00000195193848
             12 vec=     5.187034     15.214743     -4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00000137632532
                2s
                   +0 :               0.00000687135690
                3s
                   +0 :              -0.00000020032529
                2p
                   -1 :               0.00005505890202
                   +0 :               0.00006242172036
                   +1 :              -0.00003806766531
                3p
                   -1 :              -0.00001965169263
                   +0 :              -0.00004980136653
                   +1 :               0.00001447685105
                3d
                   -2 :               0.00000685090422
                   -1 :               0.00000021223031
                   +0 :               0.00000264811300
                   +1 :              -0.00000033402257
                   +2 :              -0.00000039786644
             13 vec=    -2.593128    -16.228410     -4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00001170557052
                2s
                   +0 :              -0.00007132246980
                3s
                   +0 :               0.00004187167812
                2p
                   -1 :               0.00009917412304
                   +0 :              -0.00005372402824
                   +1 :               0.00002840973374
                3p
                   -1 :              -0.00008058229769
                   +0 :               0.00002751885635
                   +1 :              -0.00003187225768
                3d
                   -2 :               0.00000789344171
                   -1 :               0.00000053741479
                   +0 :               0.00000061099279
                   +1 :               0.00000374936910
                   +2 :              -0.00000273831667
             14 vec=    12.967197     10.722864     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00001887156065
                2s
                   +0 :               0.00014830385025
                3s
                   +0 :              -0.00005451861316
                2p
                   -1 :              -0.00001846803151
                   +0 :              -0.00005938088901
                   +1 :               0.00014987861951
                3p
                   -1 :               0.00002862872329
                   +0 :               0.00002029792481
                   +1 :              -0.00009240660599
                3d
                   -2 :               0.00000553485646
                   -1 :              -0.00000192665223
                   +0 :               0.00000162128838
                   +1 :               0.00000256791739
                   +2 :               0.00000029433655
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 20)  npairs=  14
              1 vec=     0.418832     -2.752773     -4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00073582988093
                2s
                   +0 :               0.01087353573716
                3s
                   +0 :              -0.00204942968585
                2p
                   -1 :              -0.00419713710646
                   +0 :              -0.00470123499005
                   +1 :              -0.00729951936099
                3p
                   -1 :               0.00372203687934
                   +0 :              -0.00168581347744
                   +1 :              -0.00400506428853
                3d
                   -2 :               0.00125985931549
                   -1 :               0.00035619667451
                   +0 :               0.00107355202764
                   +1 :               0.00167668695010
                   +2 :              -0.00016292246609
              2 vec=     0.418832      6.230985     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00023411487536
                2s
                   +0 :              -0.00149398554599
                3s
                   +0 :               0.00086932921454
                2p
                   -1 :              -0.00010757888067
                   +0 :               0.00081001161024
                   +1 :              -0.00116878938099
                3p
                   -1 :               0.00006346177167
                   +0 :              -0.00066716463581
                   +1 :               0.00055538992056
                3d
                   -2 :               0.00006358637686
                   -1 :               0.00003330322466
                   +0 :              -0.00003089907252
                   +1 :               0.00002698014272
                   +2 :              -0.00002236378103
              3 vec=    -7.361331      1.739106     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00045720930755
                2s
                   +0 :              -0.00204950722065
                3s
                   +0 :               0.00075480623233
                2p
                   -1 :              -0.00107361552464
                   +0 :              -0.00014226266860
                   +1 :               0.00221275641343
                3p
                   -1 :               0.00047012533299
                   +0 :               0.00155274575827
                   +1 :              -0.00121057845618
                3d
                   -2 :              -0.00010528557540
                   -1 :               0.00007322810277
                   +0 :              -0.00029366016040
                   +1 :               0.00011116736089
                   +2 :               0.00012173862195
              4 vec=     8.198995      1.739106     -4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00072709046863
                2s
                   +0 :               0.00438610922250
                3s
                   +0 :              -0.00159154343865
                2p
                   -1 :               0.00119056626093
                   +0 :              -0.00196534943376
                   +1 :               0.00129787851797
                3p
                   -1 :              -0.00067468823192
                   +0 :               0.00017439610726
                   +1 :              -0.00033350200340
                3d
                   -2 :              -0.00012584548192
                   -1 :              -0.00012121573878
                   +0 :               0.00017746733896
                   +1 :               0.00010319694486
                   +2 :              -0.00011289430579
              5 vec=    -7.361331     -7.244652     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00003267489835
                2s
                   +0 :              -0.00034660768648
                3s
                   +0 :               0.00001868573571
                2p
                   -1 :               0.00181284857398
                   +0 :               0.00062975249917
                   +1 :               0.00080998724411
                3p
                   -1 :              -0.00137107251760
                   +0 :              -0.00026237590009
                   +1 :              -0.00061946357192
                3d
                   -2 :               0.00014465268213
                   -1 :              -0.00003586004399
                   +0 :              -0.00020281225096
                   +1 :              -0.00000787798415
                   +2 :              -0.00001137852687
              6 vec=     8.198995     -7.244652     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00001964824089
                2s
                   +0 :               0.00007683812909
                3s
                   +0 :               0.00009410969536
                2p
                   -1 :              -0.00030063932180
                   +0 :               0.00016010702636
                   +1 :              -0.00021178869500
                3p
                   -1 :               0.00015208012782
                   +0 :              -0.00015591016107
                   +1 :               0.00036471770395
                3d
                   -2 :              -0.00013588906553
                   -1 :               0.00008155488428
                   +0 :              -0.00007458436234
                   +1 :               0.00002762471339
                   +2 :              -0.00001028791663
              7 vec=     0.418832    -11.736531     -4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00002368030306
                2s
                   +0 :               0.00008835746935
                3s
                   +0 :              -0.00014845472635
                2p
                   -1 :              -0.00049237628466
                   +0 :               0.00026158781010
                   +1 :              -0.00034931089567
                3p
                   -1 :               0.00046990357172
                   +0 :               0.00001993458578
                   +1 :               0.00039011797364
                3d
                   -2 :              -0.00004388797875
                   -1 :              -0.00002479592348
                   +0 :               0.00001661717291
                   +1 :               0.00000374674027
                   +2 :               0.00000573123085
              8 vec=    -7.361331     10.722864     -4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00002630819574
                2s
                   +0 :              -0.00043691505980
                3s
                   +0 :              -0.00003404890947
                2p
                   -1 :              -0.00028463520886
                   +0 :              -0.00000217738911
                   +1 :               0.00004383749834
                3p
                   -1 :              -0.00002156894267
                   +0 :               0.00021636317198
                   +1 :               0.00008808119936
                3d
                   -2 :               0.00002643714485
                   -1 :               0.00002180934948
                   +0 :               0.00001207822145
                   +1 :              -0.00000153235302
                   +2 :               0.00002421129366
              9 vec=     8.198995     10.722864     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00006720534826
                2s
                   +0 :               0.00059900804656
                3s
                   +0 :              -0.00014462986400
                2p
                   -1 :               0.00005383579629
                   +0 :              -0.00006403738095
                   +1 :               0.00011853868186
                3p
                   -1 :               0.00008650177035
                   +0 :              -0.00004562485658
                   +1 :               0.00001432837431
                3d
                   -2 :               0.00000204501513
                   -1 :              -0.00000588726060
                   +0 :               0.00000350253173
                   +1 :               0.00000210911098
                   +2 :              -0.00001045813229
             10 vec=     0.418832     15.214743     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000657674389
                2s
                   +0 :               0.00004337376630
                3s
                   +0 :              -0.00002497545709
                2p
                   -1 :              -0.00002473405372
                   +0 :              -0.00008503740195
                   +1 :              -0.00004724858711
                3p
                   -1 :               0.00000965026240
                   +0 :               0.00007009711225
                   +1 :               0.00000467166374
                3d
                   -2 :              -0.00000338944355
                   -1 :              -0.00000105517667
                   +0 :              -0.00000195137336
                   +1 :              -0.00000360045484
                   +2 :              -0.00000688959599
             11 vec=   -15.141493     -2.752773     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00009167705781
                2s
                   +0 :              -0.00063064687788
                3s
                   +0 :               0.00027774230316
                2p
                   -1 :               0.00021242782847
                   +0 :               0.00010221450647
                   +1 :               0.00046162409187
                3p
                   -1 :              -0.00017221946027
                   +0 :              -0.00006203067388
                   +1 :              -0.00023406851859
                3d
                   -2 :               0.00001546622802
                   -1 :               0.00000740568066
                   +0 :               0.00001807616306
                   +1 :               0.00000222114735
                   +2 :              -0.00000014386711
             12 vec=    15.979157     -2.752773     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00001828474014
                2s
                   +0 :               0.00014424992540
                3s
                   +0 :              -0.00005248637197
                2p
                   -1 :               0.00012786176899
                   +0 :              -0.00007561999557
                   +1 :               0.00044522317878
                3p
                   -1 :              -0.00013826269094
                   +0 :               0.00004666411869
                   +1 :              -0.00036407795347
                3d
                   -2 :              -0.00000200591585
                   -1 :               0.00000954899196
                   +0 :               0.00000923662138
                   +1 :               0.00001082488298
                   +2 :              -0.00002317396155
             13 vec=   -15.141493      6.230985     -4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00003174094617
                2s
                   +0 :              -0.00022176775134
                3s
                   +0 :               0.00008905722301
                2p
                   -1 :               0.00007579719876
                   +0 :               0.00004880982463
                   +1 :               0.00017012913057
                3p
                   -1 :              -0.00007945969513
                   +0 :              -0.00001547108848
                   +1 :              -0.00007337631163
                3d
                   -2 :               0.00000591779709
                   -1 :              -0.00000212876191
                   +0 :               0.00000137049070
                   +1 :               0.00000298410663
                   +2 :               0.00001133805813
             14 vec=    15.979157      6.230985     -4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000718692033
                2s
                   +0 :               0.00004383815910
                3s
                   +0 :              -0.00000338748285
                2p
                   -1 :              -0.00001689453270
                   +0 :               0.00001025516526
                   +1 :              -0.00002366623601
                3p
                   -1 :               0.00004828013095
                   +0 :              -0.00002279768000
                   +1 :               0.00004694424977
                3d
                   -2 :               0.00000698431545
                   -1 :              -0.00000341997210
                   +0 :              -0.00000405190636
                   +1 :               0.00000091976964
                   +2 :              -0.00000622583417
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 21)  npairs=  14
              1 vec=     2.802933      1.376611     -4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00063838235751
                2s
                   +0 :               0.03384752244162
                3s
                   +0 :               0.00020095363860
                2p
                   -1 :               0.00927529604324
                   +0 :              -0.02137576911572
                   +1 :               0.00554869785717
                3p
                   -1 :               0.00000476740233
                   +0 :              -0.00184555912939
                   +1 :               0.00155456451293
                3d
                   -2 :               0.00051825338186
                   -1 :              -0.00132101888570
                   +0 :               0.00180691775866
                   +1 :              -0.00154873860233
                   +2 :               0.00007298703630
              2 vec=    -4.977229     -3.115268     -4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00174507765480
                2s
                   +0 :              -0.01121643558807
                3s
                   +0 :               0.00579179598725
                2p
                   -1 :               0.00197505520640
                   +0 :               0.00074096043349
                   +1 :               0.01075340723413
                3p
                   -1 :              -0.00046177861039
                   +0 :               0.00018814824948
                   +1 :              -0.00869168859007
                3d
                   -2 :               0.00039024367492
                   -1 :               0.00015305180286
                   +0 :              -0.00025343197761
                   +1 :               0.00016996491807
                   +2 :               0.00040162953210
              3 vec=    -4.977229      5.868490     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00011052689003
                2s
                   +0 :              -0.00024851503237
                3s
                   +0 :              -0.00000911643970
                2p
                   -1 :              -0.00270066663689
                   +0 :              -0.00227349957773
                   +1 :               0.00176638941379
                3p
                   -1 :               0.00120096933229
                   +0 :               0.00102896995848
                   +1 :              -0.00095845869791
                3d
                   -2 :              -0.00005565882298
                   -1 :               0.00006954583805
                   +0 :               0.00008006947992
                   +1 :               0.00016438242511
                   +2 :               0.00003252190585
              4 vec=     2.802933     -7.607147     -4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00012132770437
                2s
                   +0 :               0.00047182271062
                3s
                   +0 :              -0.00018662302943
                2p
                   -1 :               0.00226613159498
                   +0 :              -0.00255257691366
                   +1 :              -0.00279898270705
                3p
                   -1 :              -0.00212867326699
                   +0 :               0.00116186742324
                   +1 :               0.00191992628864
                3d
                   -2 :              -0.00005525269503
                   -1 :              -0.00000646564756
                   +0 :               0.00000098711046
                   +1 :              -0.00010948217776
                   +2 :              -0.00001575936300
              5 vec=     2.802933     10.360369     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00012439842449
                2s
                   +0 :               0.00089174392329
                3s
                   +0 :              -0.00043036459429
                2p
                   -1 :               0.00074266807451
                   +0 :              -0.00005703976360
                   +1 :              -0.00020662387797
                3p
                   -1 :              -0.00050979829797
                   +0 :              -0.00003601602907
                   +1 :               0.00007389826302
                3d
                   -2 :               0.00000586615350
                   -1 :               0.00000908086058
                   +0 :              -0.00004712042367
                   +1 :              -0.00000182472820
                   +2 :               0.00002413373854
              6 vec=    10.583096     -3.115268     -4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00002729874416
                2s
                   +0 :               0.00032207365843
                3s
                   +0 :               0.00000817099402
                2p
                   -1 :              -0.00061299426622
                   +0 :              -0.00063708717873
                   +1 :              -0.00067745679038
                3p
                   -1 :               0.00044989679323
                   +0 :               0.00039001109456
                   +1 :               0.00073240429489
                3d
                   -2 :              -0.00001847247572
                   -1 :               0.00002508020212
                   +0 :               0.00003634607763
                   +1 :               0.00005456562502
                   +2 :               0.00011575117034
              7 vec=    10.583096      5.868490     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00003864128372
                2s
                   +0 :               0.00068049802808
                3s
                   +0 :              -0.00013866866080
                2p
                   -1 :               0.00018611259511
                   +0 :               0.00037374368057
                   +1 :              -0.00001179096668
                3p
                   -1 :              -0.00011761273471
                   +0 :              -0.00031417567201
                   +1 :               0.00005466652612
                3d
                   -2 :              -0.00003649570960
                   -1 :              -0.00000807372187
                   +0 :               0.00002475009065
                   +1 :              -0.00000253894626
                   +2 :               0.00002039450789
              8 vec=   -12.757392      1.376611     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00005338002692
                2s
                   +0 :              -0.00091183742834
                3s
                   +0 :               0.00003487949492
                2p
                   -1 :              -0.00069631175065
                   +0 :               0.00067253087654
                   +1 :               0.00029621732197
                3p
                   -1 :               0.00049610999730
                   +0 :              -0.00011884170719
                   +1 :              -0.00014768841182
                3d
                   -2 :              -0.00000334606097
                   -1 :               0.00000592192607
                   +0 :              -0.00003360609150
                   +1 :              -0.00000385040212
                   +2 :              -0.00002189372865
              9 vec=    -4.977229    -12.099026     -4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00007242121804
                2s
                   +0 :              -0.00057683220547
                3s
                   +0 :               0.00015856776508
                2p
                   -1 :               0.00012739865544
                   +0 :               0.00034989753071
                   +1 :               0.00019702518973
                3p
                   -1 :              -0.00006501505535
                   +0 :              -0.00010016353446
                   +1 :              -0.00025590249570
                3d
                   -2 :               0.00002824060548
                   -1 :              -0.00000824048410
                   +0 :              -0.00001261217029
                   +1 :               0.00002749242870
                   +2 :              -0.00001749502933
             10 vec=   -12.757392     -7.607147     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00002917819009
                2s
                   +0 :              -0.00021763595537
                3s
                   +0 :               0.00005771753221
                2p
                   -1 :               0.00011426123227
                   +0 :               0.00005355182826
                   +1 :               0.00003997059561
                3p
                   -1 :              -0.00002593040600
                   +0 :              -0.00000875502672
                   +1 :               0.00002763005754
                3d
                   -2 :              -0.00000614570668
                   -1 :               0.00000579736012
                   +0 :               0.00000169151300
                   +1 :              -0.00000277826052
                   +2 :              -0.00001423219210
             11 vec=    -4.977229     14.852248     -4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00001383784287
                2s
                   +0 :               0.00005744673179
                3s
                   +0 :              -0.00005929075116
                2p
                   -1 :               0.00000541366998
                   +0 :              -0.00001180517192
                   +1 :              -0.00003161363395
                3p
                   -1 :              -0.00004381912379
                   +0 :               0.00003274206098
                   +1 :               0.00000477439426
                3d
                   -2 :              -0.00000202081052
                   -1 :               0.00000461428832
                   +0 :               0.00000019533383
                   +1 :               0.00000300713560
                   +2 :              -0.00000028168766
             12 vec=    10.583096    -12.099026     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00002834644444
                2s
                   +0 :               0.00019372977590
                3s
                   +0 :              -0.00005785430189
                2p
                   -1 :              -0.00011163380593
                   +0 :               0.00011173428221
                   +1 :               0.00008605824014
                3p
                   -1 :               0.00001781377857
                   +0 :              -0.00014427591341
                   +1 :              -0.00002381650974
                3d
                   -2 :              -0.00000486654879
                   -1 :               0.00000608514571
                   +0 :              -0.00000756488559
                   +1 :              -0.00001083584119
                   +2 :               0.00000772481086
             13 vec=   -12.757392     10.360369     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00002326166995
                2s
                   +0 :              -0.00016236549428
                3s
                   +0 :               0.00004560207840
                2p
                   -1 :              -0.00015342769240
                   +0 :               0.00001351507664
                   +1 :               0.00003430929382
                3p
                   -1 :               0.00009588053663
                   +0 :               0.00001573091403
                   +1 :               0.00000734707368
                3d
                   -2 :               0.00000427412446
                   -1 :              -0.00000304267141
                   +0 :              -0.00000602820280
                   +1 :               0.00000311854059
                   +2 :              -0.00001008301877
             14 vec=     2.802933    -16.590905     -4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00001793866874
                2s
                   +0 :               0.00009407840877
                3s
                   +0 :              -0.00005468570764
                2p
                   -1 :              -0.00000421365393
                   +0 :               0.00001265618334
                   +1 :              -0.00001366052192
                3p
                   -1 :               0.00000276506027
                   +0 :              -0.00000731475779
                   +1 :               0.00002444089101
                3d
                   -2 :              -0.00001022792646
                   -1 :               0.00000127487203
                   +0 :               0.00000034482625
                   +1 :              -0.00000350789313
                   +2 :               0.00000267522890
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 22)  npairs=  14
              1 vec=     0.419351     -0.000150      8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00003263701248
                2s
                   +0 :              -0.00045901751547
                3s
                   +0 :               0.00029185993556
                2p
                   -1 :              -0.00254970351716
                   +0 :               0.00198616026479
                   +1 :              -0.00188967818537
                3p
                   -1 :               0.00208695617709
                   +0 :              -0.00132843608515
                   +1 :               0.00019317117625
                3d
                   -2 :               0.00002007319010
                   -1 :               0.00012703771764
                   +0 :              -0.00018109072166
                   +1 :              -0.00004174673305
                   +2 :               0.00005497825942
              2 vec=    -7.360812      4.491729      8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00007445447500
                2s
                   +0 :              -0.00001248994855
                3s
                   +0 :              -0.00038807207139
                2p
                   -1 :              -0.00014873920118
                   +0 :              -0.00027890161405
                   +1 :              -0.00046132145970
                3p
                   -1 :              -0.00018255087521
                   +0 :              -0.00030937450621
                   +1 :               0.00042957243078
                3d
                   -2 :              -0.00000035006885
                   -1 :              -0.00005484633901
                   +0 :               0.00000648833222
                   +1 :              -0.00000422802457
                   +2 :               0.00002780662366
              3 vec=    -7.360812     -4.492029      8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00009257807407
                2s
                   +0 :               0.00069052629788
                3s
                   +0 :              -0.00031872828418
                2p
                   -1 :               0.00079545062110
                   +0 :               0.00048660459408
                   +1 :               0.00102000302653
                3p
                   -1 :              -0.00064303861076
                   +0 :              -0.00031570966218
                   +1 :              -0.00104455656239
                3d
                   -2 :               0.00004842418153
                   -1 :              -0.00005492013515
                   +0 :              -0.00001646707886
                   +1 :              -0.00000157793024
                   +2 :               0.00001527080432
              4 vec=     0.419351      8.983608      8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00005639083880
                2s
                   +0 :              -0.00032343540487
                3s
                   +0 :               0.00027229400218
                2p
                   -1 :              -0.00031840576123
                   +0 :              -0.00024721232406
                   +1 :              -0.00056214406930
                3p
                   -1 :               0.00032281483087
                   +0 :               0.00018112360452
                   +1 :               0.00021722441841
                3d
                   -2 :              -0.00004621806322
                   -1 :               0.00006677829146
                   +0 :               0.00001438227720
                   +1 :              -0.00000746332321
                   +2 :              -0.00004008715319
              5 vec=     0.419351     -8.983908      8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00001366909741
                2s
                   +0 :              -0.00003633388114
                3s
                   +0 :              -0.00012067990502
                2p
                   -1 :               0.00016918395761
                   +0 :              -0.00007422370782
                   +1 :               0.00025828770726
                3p
                   -1 :              -0.00022921567337
                   +0 :               0.00013879515778
                   +1 :              -0.00064856868790
                3d
                   -2 :               0.00005227320911
                   -1 :               0.00002182854228
                   +0 :               0.00001624793625
                   +1 :              -0.00000163393789
                   +2 :               0.00001074658369
              6 vec=     8.199513      4.491729      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00001803724940
                2s
                   +0 :               0.00049544382356
                3s
                   +0 :               0.00003569308141
                2p
                   -1 :               0.00029216462676
                   +0 :               0.00027520697109
                   +1 :               0.00024444786864
                3p
                   -1 :              -0.00001777650862
                   +0 :               0.00018487195272
                   +1 :              -0.00000460151532
                3d
                   -2 :              -0.00001494844727
                   -1 :               0.00006341590793
                   +0 :               0.00003107252141
                   +1 :              -0.00000564202241
                   +2 :              -0.00001076761903
              7 vec=     8.199513     -4.492029      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00002278900517
                2s
                   +0 :               0.00027265033815
                3s
                   +0 :              -0.00007973365941
                2p
                   -1 :              -0.00080261941807
                   +0 :               0.00054404118482
                   +1 :               0.00075638086371
                3p
                   -1 :               0.00059032554722
                   +0 :              -0.00041104932210
                   +1 :              -0.00060344186745
                3d
                   -2 :               0.00002084193706
                   -1 :               0.00005109128595
                   +0 :              -0.00000537571031
                   +1 :              -0.00000448988252
                   +2 :              -0.00000920746892
              8 vec=     0.419351     -0.000150    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00000167315109
                2s
                   +0 :              -0.00000458847216
                3s
                   +0 :               0.00001982510908
                2p
                   -1 :              -0.00002617251700
                   +0 :               0.00003925146458
                   +1 :               0.00003803805441
                3p
                   -1 :               0.00002444572535
                   +0 :              -0.00005722552991
                   +1 :              -0.00001739455415
                3d
                   -2 :               0.00000417955888
                   -1 :              -0.00000363092735
                   +0 :               0.00000283474488
                   +1 :               0.00000136059578
                   +2 :               0.00000096173581
              9 vec=   -15.140975     -0.000150      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00000473183063
                2s
                   +0 :              -0.00004414066349
                3s
                   +0 :              -0.00002105948524
                2p
                   -1 :               0.00012225024120
                   +0 :              -0.00012397211546
                   +1 :               0.00010691495276
                3p
                   -1 :              -0.00005827493720
                   +0 :               0.00004408900951
                   +1 :               0.00004180921169
                3d
                   -2 :               0.00000698290051
                   -1 :              -0.00000018849659
                   +0 :               0.00000290032128
                   +1 :              -0.00000167454124
                   +2 :              -0.00000485815992
             10 vec=    -7.360812     13.475487      8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00002892609671
                2s
                   +0 :              -0.00024385275412
                3s
                   +0 :               0.00007744550663
                2p
                   -1 :              -0.00019596389398
                   +0 :              -0.00006890138784
                   +1 :               0.00011470123833
                3p
                   -1 :               0.00008425413774
                   +0 :               0.00002675284226
                   +1 :              -0.00009229969505
                3d
                   -2 :              -0.00000305874828
                   -1 :               0.00000069595673
                   +0 :               0.00000204372713
                   +1 :              -0.00000251707564
                   +2 :               0.00000047312393
             11 vec=    -7.360812    -13.475787      8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00000873806510
                2s
                   +0 :               0.00004399716123
                3s
                   +0 :              -0.00002932565217
                2p
                   -1 :              -0.00005329544183
                   +0 :              -0.00000804883239
                   +1 :               0.00007404315391
                3p
                   -1 :               0.00008766138791
                   +0 :              -0.00001908375232
                   +1 :              -0.00004520577505
                3d
                   -2 :               0.00000399000135
                   -1 :              -0.00000184436483
                   +0 :               0.00000491739301
                   +1 :               0.00000431305514
                   +2 :              -0.00000044334698
             12 vec=     8.199513     13.475487      8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000278307412
                2s
                   +0 :               0.00004599766208
                3s
                   +0 :               0.00001057111288
                2p
                   -1 :              -0.00003185145710
                   +0 :               0.00001906099218
                   +1 :               0.00006565264656
                3p
                   -1 :               0.00007745632475
                   +0 :               0.00000591487549
                   +1 :              -0.00004498672494
                3d
                   -2 :               0.00000119789034
                   -1 :               0.00000540213427
                   +0 :               0.00000486505388
                   +1 :              -0.00000179824635
                   +2 :              -0.00000234918464
             13 vec=     8.199513    -13.475787      8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00000741019894
                2s
                   +0 :              -0.00004820948813
                3s
                   +0 :               0.00003525010228
                2p
                   -1 :              -0.00002453393123
                   +0 :               0.00002302414521
                   +1 :               0.00005040061642
                3p
                   -1 :               0.00001012454366
                   +0 :              -0.00000086708072
                   +1 :              -0.00004614058026
                3d
                   -2 :              -0.00000264224348
                   -1 :              -0.00000259944235
                   +0 :               0.00000040324823
                   +1 :               0.00000453534533
                   +2 :              -0.00000028641968
             14 vec=    15.979676     -0.000150      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00001677398930
                2s
                   +0 :               0.00015007939765
                3s
                   +0 :              -0.00003732710033
                2p
                   -1 :              -0.00003640316700
                   +0 :              -0.00000333278051
                   +1 :               0.00011537951341
                3p
                   -1 :               0.00001397895232
                   +0 :               0.00001468296167
                   +1 :              -0.00001335864073
                3d
                   -2 :               0.00000062039549
                   -1 :               0.00000169001274
                   +0 :               0.00000008736287
                   +1 :              -0.00000494399175
                   +2 :               0.00000553126501
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 23)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00009505963885
                2s
                   +0 :               0.00082092000986
                3s
                   +0 :               0.00019152323466
                2p
                   -1 :              -0.00039582252156
                   +0 :               0.00193575861770
                   +1 :              -0.00127989220212
                3p
                   -1 :              -0.00065070855851
                   +0 :              -0.00057266449714
                   +1 :               0.00157599635813
                3d
                   -2 :              -0.00003482981909
                   -1 :              -0.00015346731354
                   +0 :              -0.00005891698813
                   +1 :               0.00017553786649
                   +2 :               0.00007389402884
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00007511280664
                2s
                   +0 :              -0.00106286291224
                3s
                   +0 :              -0.00027706385524
                2p
                   -1 :              -0.00228068144513
                   +0 :              -0.00352581585136
                   +1 :               0.00011526554564
                3p
                   -1 :              -0.00010626026815
                   +0 :               0.00029255263100
                   +1 :              -0.00004872043972
                3d
                   -2 :              -0.00000590639279
                   -1 :              -0.00015182706054
                   +0 :              -0.00007884196403
                   +1 :               0.00010225739688
                   +2 :               0.00005414496639
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00021140387542
                2s
                   +0 :               0.00146492891218
                3s
                   +0 :              -0.00046186373848
                2p
                   -1 :              -0.00027892000405
                   +0 :               0.00090893266954
                   +1 :              -0.00310538769184
                3p
                   -1 :              -0.00015344753162
                   +0 :              -0.00044769136957
                   +1 :               0.00224585771108
                3d
                   -2 :              -0.00000205409702
                   -1 :              -0.00001132600843
                   +0 :               0.00007149608535
                   +1 :               0.00015527827409
                   +2 :              -0.00001198075854
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00001800668530
                2s
                   +0 :               0.00017040508773
                3s
                   +0 :               0.00004941617556
                2p
                   -1 :               0.00038945061986
                   +0 :               0.00023501089597
                   +1 :               0.00029856337302
                3p
                   -1 :              -0.00008450953160
                   +0 :              -0.00025554554298
                   +1 :              -0.00021231698606
                3d
                   -2 :               0.00001734827734
                   -1 :              -0.00000561885352
                   +0 :              -0.00001351763902
                   +1 :              -0.00002621332505
                   +2 :              -0.00000859243660
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00003934382276
                2s
                   +0 :              -0.00022725827699
                3s
                   +0 :               0.00007126658801
                2p
                   -1 :              -0.00007645930660
                   +0 :               0.00005483418760
                   +1 :              -0.00023223230538
                3p
                   -1 :               0.00010111457563
                   +0 :               0.00000088820038
                   +1 :               0.00015387529920
                3d
                   -2 :               0.00002524360012
                   -1 :              -0.00000905167306
                   +0 :               0.00002094283192
                   +1 :               0.00000445873805
                   +2 :               0.00001212594583
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00001531812457
                2s
                   +0 :              -0.00036643910223
                3s
                   +0 :              -0.00003782961730
                2p
                   -1 :               0.00059036420561
                   +0 :               0.00007910475976
                   +1 :               0.00033999815232
                3p
                   -1 :              -0.00039470673194
                   +0 :              -0.00026989032653
                   +1 :              -0.00011322932276
                3d
                   -2 :              -0.00000342004241
                   -1 :               0.00002446034904
                   +0 :              -0.00005198470423
                   +1 :               0.00000686798772
                   +2 :               0.00001270817618
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000211496115
                2s
                   +0 :               0.00001950334264
                3s
                   +0 :               0.00003174288547
                2p
                   -1 :               0.00011954753600
                   +0 :               0.00005676274501
                   +1 :               0.00006543222403
                3p
                   -1 :              -0.00005567371645
                   +0 :               0.00002529404346
                   +1 :              -0.00000609405518
                3d
                   -2 :              -0.00000766999848
                   -1 :              -0.00000566592873
                   +0 :              -0.00000060263922
                   +1 :               0.00000753953199
                   +2 :               0.00000569351387
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00001185996278
                2s
                   +0 :              -0.00002788252683
                3s
                   +0 :               0.00005080263152
                2p
                   -1 :              -0.00014320965259
                   +0 :               0.00006915052984
                   +1 :              -0.00014210923131
                3p
                   -1 :               0.00006426053497
                   +0 :              -0.00000818378784
                   +1 :               0.00016465183260
                3d
                   -2 :               0.00000645840205
                   -1 :              -0.00000339251058
                   +0 :              -0.00000621188361
                   +1 :              -0.00000188362744
                   +2 :               0.00000125879970
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001499933960
                2s
                   +0 :              -0.00007232115420
                3s
                   +0 :               0.00005050507119
                2p
                   -1 :               0.00000022025676
                   +0 :              -0.00005300023584
                   +1 :              -0.00010737302814
                3p
                   -1 :               0.00003477437174
                   +0 :               0.00002964407131
                   +1 :               0.00003320658275
                3d
                   -2 :              -0.00000010158618
                   -1 :              -0.00000651844730
                   +0 :               0.00000671455132
                   +1 :              -0.00000706350229
                   +2 :              -0.00000728056454
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001855854719
                2s
                   +0 :              -0.00008426260423
                3s
                   +0 :               0.00000271207806
                2p
                   -1 :              -0.00011138297770
                   +0 :               0.00000365928632
                   +1 :               0.00028268574002
                3p
                   -1 :               0.00004250894701
                   +0 :              -0.00004459886148
                   +1 :              -0.00020325800848
                3d
                   -2 :              -0.00001083345882
                   -1 :              -0.00000273552257
                   +0 :              -0.00001439120478
                   +1 :               0.00000501648913
                   +2 :              -0.00000593627320
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000767967092
                2s
                   +0 :               0.00003942918652
                3s
                   +0 :              -0.00002761947702
                2p
                   -1 :              -0.00001508790320
                   +0 :               0.00002470308141
                   +1 :              -0.00013798622625
                3p
                   -1 :               0.00001721719796
                   +0 :              -0.00007259148635
                   +1 :               0.00008431379672
                3d
                   -2 :               0.00000209991539
                   -1 :               0.00000262382581
                   +0 :              -0.00000246691112
                   +1 :              -0.00000101018286
                   +2 :              -0.00000741875208
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00001328375657
                2s
                   +0 :               0.00003024972096
                3s
                   +0 :              -0.00004803995584
                2p
                   -1 :               0.00018737063108
                   +0 :              -0.00008265123088
                   +1 :               0.00009368283721
                3p
                   -1 :              -0.00011206655128
                   +0 :               0.00006594584265
                   +1 :              -0.00005226097705
                3d
                   -2 :              -0.00000426673643
                   -1 :               0.00002126128183
                   +0 :               0.00001093059916
                   +1 :              -0.00000011196241
                   +2 :              -0.00000193879504
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000057659661
                2s
                   +0 :               0.00000175664101
                3s
                   +0 :               0.00000033668236
                2p
                   -1 :               0.00002427030503
                   +0 :               0.00001065052395
                   +1 :               0.00003452377553
                3p
                   -1 :              -0.00000411218875
                   +0 :              -0.00001843005809
                   +1 :              -0.00002429358710
                3d
                   -2 :               0.00000132446560
                   -1 :              -0.00000220788095
                   +0 :               0.00000000916148
                   +1 :              -0.00000157479345
                   +2 :               0.00000065951232
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000873681987
                2s
                   +0 :               0.00006250867155
                3s
                   +0 :              -0.00001546838626
                2p
                   -1 :               0.00005960159294
                   +0 :              -0.00005148970638
                   +1 :               0.00002015695216
                3p
                   -1 :              -0.00001207373581
                   +0 :              -0.00000114376411
                   +1 :              -0.00002300762111
                3d
                   -2 :              -0.00000480735124
                   -1 :              -0.00000068952701
                   +0 :               0.00000169214281
                   +1 :               0.00000034481852
                   +2 :               0.00000004974945
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000499600252
                2s
                   +0 :              -0.00006377884402
                3s
                   +0 :              -0.00000090224286
                2p
                   -1 :              -0.00003763739286
                   +0 :               0.00001940611044
                   +1 :              -0.00004717177175
                3p
                   -1 :               0.00004606738631
                   +0 :               0.00002964603637
                   +1 :               0.00002173632323
                3d
                   -2 :               0.00000078158625
                   -1 :              -0.00001105293357
                   +0 :              -0.00000805726220
                   +1 :              -0.00000009793716
                   +2 :               0.00000295718514
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 24)  npairs=  15
              1 vec=     2.802933     -4.128636      8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00032671056943
                2s
                   +0 :              -0.00203289839844
                3s
                   +0 :               0.00101061344337
                2p
                   -1 :               0.00059571262052
                   +0 :              -0.00108171378453
                   +1 :               0.00070067554410
                3p
                   -1 :              -0.00001305480381
                   +0 :               0.00041066185918
                   +1 :              -0.00074274678795
                3d
                   -2 :               0.00003036448640
                   -1 :              -0.00000357447651
                   +0 :              -0.00009604284519
                   +1 :               0.00003888478732
                   +2 :              -0.00016114221039
              2 vec=    -4.977229      0.363243      8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00016646305533
                2s
                   +0 :              -0.00124262763306
                3s
                   +0 :               0.00011903980718
                2p
                   -1 :              -0.00080114019219
                   +0 :              -0.00186653450515
                   +1 :              -0.00054790581704
                3p
                   -1 :               0.00149758169560
                   +0 :               0.00044774511888
                   +1 :               0.00088957944082
                3d
                   -2 :              -0.00003865732634
                   -1 :               0.00016181605682
                   +0 :              -0.00001460359458
                   +1 :               0.00012212980714
                   +2 :              -0.00005861837558
              3 vec=     2.802933      4.855122      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00032746126204
                2s
                   +0 :               0.00300945519390
                3s
                   +0 :              -0.00054122504835
                2p
                   -1 :               0.00281665031110
                   +0 :               0.00184566721382
                   +1 :               0.00057767475677
                3p
                   -1 :              -0.00108381139963
                   +0 :               0.00005749055300
                   +1 :              -0.00073411241702
                3d
                   -2 :              -0.00005390862910
                   -1 :               0.00003661473383
                   +0 :               0.00012499728528
                   +1 :              -0.00012850221064
                   +2 :              -0.00002951936100
              4 vec=    -4.977229     -8.620515      8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00004900379507
                2s
                   +0 :              -0.00046383962045
                3s
                   +0 :               0.00023111385638
                2p
                   -1 :              -0.00025464244313
                   +0 :              -0.00038846279273
                   +1 :               0.00038428879814
                3p
                   -1 :               0.00016424379467
                   +0 :               0.00013816746930
                   +1 :              -0.00031578354814
                3d
                   -2 :               0.00002801662245
                   -1 :              -0.00000608104407
                   +0 :              -0.00005568586230
                   +1 :              -0.00001710198799
                   +2 :               0.00000332095074
              5 vec=    10.583096      0.363243      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00004760036327
                2s
                   +0 :               0.00071130321984
                3s
                   +0 :              -0.00018995467198
                2p
                   -1 :              -0.00011018547139
                   +0 :               0.00050398019206
                   +1 :               0.00045573303326
                3p
                   -1 :              -0.00003204216389
                   +0 :              -0.00014251556204
                   +1 :              -0.00006045380107
                3d
                   -2 :              -0.00002317362165
                   -1 :              -0.00000399275370
                   +0 :              -0.00000077085959
                   +1 :              -0.00002494537741
                   +2 :              -0.00001124443003
              6 vec=    -4.977229      9.347001      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00001712600665
                2s
                   +0 :              -0.00007905290290
                3s
                   +0 :              -0.00007018554030
                2p
                   -1 :               0.00014198646606
                   +0 :               0.00034635090982
                   +1 :               0.00022751248570
                3p
                   -1 :              -0.00033970102469
                   +0 :              -0.00028155722511
                   +1 :              -0.00021097195342
                3d
                   -2 :               0.00001940154713
                   -1 :              -0.00000518366213
                   +0 :              -0.00001153084503
                   +1 :              -0.00003464875238
                   +2 :               0.00003126662664
              7 vec=     2.802933    -13.112394      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00001763462427
                2s
                   +0 :              -0.00011614853458
                3s
                   +0 :               0.00009110753186
                2p
                   -1 :               0.00014010187527
                   +0 :               0.00000178004958
                   +1 :               0.00001137708163
                3p
                   -1 :              -0.00009719032065
                   +0 :               0.00004023941452
                   +1 :              -0.00007695187642
                3d
                   -2 :               0.00000807022395
                   -1 :              -0.00000559273045
                   +0 :              -0.00000209849796
                   +1 :              -0.00001006537045
                   +2 :              -0.00000719773008
              8 vec=   -12.757392     -4.128636      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00000421942659
                2s
                   +0 :              -0.00010126378813
                3s
                   +0 :              -0.00000643569107
                2p
                   -1 :               0.00013158564813
                   +0 :              -0.00017837454947
                   +1 :              -0.00001105521709
                3p
                   -1 :              -0.00003890691939
                   +0 :               0.00004064430805
                   +1 :               0.00011782830454
                3d
                   -2 :               0.00000785790819
                   -1 :              -0.00001789788346
                   +0 :              -0.00000394470085
                   +1 :               0.00001512486449
                   +2 :              -0.00000500945977
              9 vec=    10.583096     -8.620515      8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00005760180592
                2s
                   +0 :              -0.00035906073193
                3s
                   +0 :               0.00019841332360
                2p
                   -1 :               0.00012013029885
                   +0 :              -0.00002939858907
                   +1 :              -0.00009999377083
                3p
                   -1 :              -0.00014350118077
                   +0 :               0.00003250837045
                   +1 :               0.00011635419689
                3d
                   -2 :              -0.00000479189168
                   -1 :               0.00000600143165
                   +0 :               0.00000041622058
                   +1 :               0.00000026559968
                   +2 :              -0.00001300189343
             10 vec=   -12.757392      4.855122      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00000380847680
                2s
                   +0 :              -0.00007715499442
                3s
                   +0 :              -0.00002796785221
                2p
                   -1 :              -0.00015542104279
                   +0 :              -0.00002436782892
                   +1 :               0.00002068257257
                3p
                   -1 :               0.00008173699927
                   +0 :              -0.00004907938553
                   +1 :               0.00003331591650
                3d
                   -2 :              -0.00000736434428
                   -1 :               0.00001194334933
                   +0 :              -0.00000331350759
                   +1 :               0.00000935259457
                   +2 :               0.00000053808590
             11 vec=    10.583096      9.347001      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00001221160617
                2s
                   +0 :               0.00010951333318
                3s
                   +0 :              -0.00002875810693
                2p
                   -1 :               0.00013505892110
                   +0 :               0.00012999345423
                   +1 :               0.00005583662922
                3p
                   -1 :              -0.00006539018711
                   +0 :              -0.00007280447615
                   +1 :               0.00000766875332
                3d
                   -2 :              -0.00000118844375
                   -1 :              -0.00000391826221
                   +0 :              -0.00000558858231
                   +1 :              -0.00000365392415
                   +2 :               0.00000293199089
             12 vec=     2.802933     13.838880      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00001629621458
                2s
                   +0 :               0.00007910141977
                3s
                   +0 :              -0.00004362194221
                2p
                   -1 :               0.00002054831406
                   +0 :              -0.00000031363461
                   +1 :               0.00003297910758
                3p
                   -1 :              -0.00001282593746
                   +0 :               0.00001038184841
                   +1 :              -0.00007030893139
                3d
                   -2 :              -0.00000514809896
                   -1 :              -0.00000533084252
                   +0 :               0.00000332016425
                   +1 :               0.00000217853578
                   +2 :               0.00000690887579
             13 vec=     2.802933     -4.128636    -16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00000576260905
                2s
                   +0 :               0.00005983909441
                3s
                   +0 :              -0.00001890661081
                2p
                   -1 :               0.00000406652918
                   +0 :              -0.00003056367755
                   +1 :              -0.00000470080883
                3p
                   -1 :              -0.00000559475250
                   +0 :              -0.00000739366079
                   +1 :              -0.00000659554627
                3d
                   -2 :               0.00000027947919
                   -1 :               0.00000346087810
                   +0 :               0.00000465475187
                   +1 :              -0.00000131771602
                   +2 :              -0.00000190739449
             14 vec=    -4.977229      0.363243    -16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00001183122500
                2s
                   +0 :               0.00008511663511
                3s
                   +0 :              -0.00003234655304
                2p
                   -1 :              -0.00007985415364
                   +0 :              -0.00010712765983
                   +1 :              -0.00005863679210
                3p
                   -1 :               0.00005163256836
                   +0 :               0.00006318207757
                   +1 :               0.00005529606307
                3d
                   -2 :               0.00000135029363
                   -1 :              -0.00000472801545
                   +0 :               0.00000322676573
                   +1 :              -0.00000458668101
                   +2 :              -0.00000199614661
             15 vec=     2.802933      4.855122    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000559892356
                2s
                   +0 :              -0.00007531580084
                3s
                   +0 :               0.00001402973153
                2p
                   -1 :               0.00003282060036
                   +0 :               0.00002309613112
                   +1 :              -0.00011074924636
                3p
                   -1 :              -0.00000603207213
                   +0 :               0.00004817976976
                   +1 :               0.00005293282521
                3d
                   -2 :               0.00000076531545
                   -1 :              -0.00000296686973
                   +0 :              -0.00000369908297
                   +1 :               0.00000005513646
                   +2 :               0.00000121430839
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 25)  npairs=  14
              1 vec=     2.593128      1.739405      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00222243827350
                2s
                   +0 :               0.03999686978925
                3s
                   +0 :              -0.00473704764756
                2p
                   -1 :               0.00809231257212
                   +0 :               0.02069136114997
                   +1 :               0.01577443960440
                3p
                   -1 :               0.00076556794690
                   +0 :               0.00035735400430
                   +1 :              -0.00754424007919
                3d
                   -2 :               0.00053686759714
                   -1 :               0.00175893278767
                   +0 :               0.00130580342196
                   +1 :               0.00046346928146
                   +2 :              -0.00046981434545
              2 vec=    -5.187034     -2.752474      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00120873763511
                2s
                   +0 :              -0.00712134717267
                3s
                   +0 :               0.00407019777551
                2p
                   -1 :               0.00244941013894
                   +0 :               0.00033276438077
                   +1 :               0.00798961280792
                3p
                   -1 :              -0.00183149279972
                   +0 :              -0.00104182289367
                   +1 :              -0.00663354799413
                3d
                   -2 :               0.00037547392066
                   -1 :              -0.00009989939465
                   +0 :              -0.00024098345582
                   +1 :              -0.00021386383633
                   +2 :               0.00016970618395
              3 vec=     2.593128     -7.244353      4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00020887736535
                2s
                   +0 :              -0.00148039712537
                3s
                   +0 :               0.00061150573543
                2p
                   -1 :               0.00121126253053
                   +0 :               0.00223148464596
                   +1 :               0.00004651579997
                3p
                   -1 :              -0.00067748657171
                   +0 :              -0.00089338644446
                   +1 :              -0.00055569487600
                3d
                   -2 :               0.00013504788462
                   -1 :              -0.00012789262430
                   +0 :               0.00008489397413
                   +1 :              -0.00010484795202
                   +2 :              -0.00002847905591
              4 vec=    -5.187034      6.231284      4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00011050706324
                2s
                   +0 :              -0.00061384001674
                3s
                   +0 :               0.00023212510834
                2p
                   -1 :              -0.00236756536246
                   +0 :              -0.00111329691608
                   +1 :               0.00163449140155
                3p
                   -1 :               0.00187488927822
                   +0 :               0.00102917570653
                   +1 :              -0.00114378465243
                3d
                   -2 :              -0.00007690288103
                   -1 :               0.00007545216728
                   +0 :              -0.00001458357228
                   +1 :              -0.00001346347975
                   +2 :              -0.00002265501496
              5 vec=    10.373291     -2.752474      4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00011971525707
                2s
                   +0 :               0.00119834759125
                3s
                   +0 :              -0.00045725152296
                2p
                   -1 :              -0.00074204586064
                   +0 :               0.00011138085210
                   +1 :               0.00131601083313
                3p
                   -1 :               0.00063222533593
                   +0 :               0.00014565185930
                   +1 :              -0.00083540983662
                3d
                   -2 :               0.00007796481712
                   -1 :               0.00005485139535
                   +0 :               0.00001558165998
                   +1 :               0.00008692515671
                   +2 :               0.00000338211360
              6 vec=     2.593128     10.723163      4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00001112465535
                2s
                   +0 :              -0.00001634335144
                3s
                   +0 :               0.00007060432181
                2p
                   -1 :              -0.00000356958318
                   +0 :              -0.00038766647325
                   +1 :              -0.00025718471834
                3p
                   -1 :               0.00021517832033
                   +0 :               0.00039448682834
                   +1 :               0.00011182970106
                3d
                   -2 :               0.00003154401205
                   -1 :               0.00002855727056
                   +0 :              -0.00006714357475
                   +1 :              -0.00003092193180
                   +2 :              -0.00004278742034
              7 vec=    10.373291      6.231284      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00004234113161
                2s
                   +0 :               0.00074436217942
                3s
                   +0 :              -0.00011211621429
                2p
                   -1 :              -0.00034203466911
                   +0 :               0.00015444610252
                   +1 :               0.00037405388219
                3p
                   -1 :               0.00024931566408
                   +0 :              -0.00005353619263
                   +1 :              -0.00016329595707
                3d
                   -2 :               0.00002842812886
                   -1 :              -0.00002302560729
                   +0 :               0.00000914693598
                   +1 :               0.00000961478953
                   +2 :              -0.00001273172203
              8 vec=    -5.187034    -11.736232      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00001180201385
                2s
                   +0 :              -0.00014081063460
                3s
                   +0 :              -0.00005686407528
                2p
                   -1 :               0.00035269431513
                   +0 :              -0.00024488706974
                   +1 :              -0.00058818283467
                3p
                   -1 :              -0.00033504559133
                   +0 :               0.00000295378139
                   +1 :               0.00042651787932
                3d
                   -2 :              -0.00000869721307
                   -1 :               0.00002558130854
                   +0 :               0.00000490711782
                   +1 :              -0.00001539662763
                   +2 :              -0.00002909700157
              9 vec=   -12.967197      1.739405      4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00003510416078
                2s
                   +0 :              -0.00062319662564
                3s
                   +0 :              -0.00000823364323
                2p
                   -1 :               0.00013984582251
                   +0 :              -0.00042432628834
                   +1 :              -0.00011126557067
                3p
                   -1 :              -0.00024901652826
                   +0 :              -0.00001468127432
                   +1 :               0.00022679906751
                3d
                   -2 :               0.00000543664337
                   -1 :              -0.00003625226267
                   +0 :              -0.00002312205710
                   +1 :              -0.00000021934585
                   +2 :               0.00000668824507
             10 vec=   -12.967197     -7.244353      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00003387561688
                2s
                   +0 :              -0.00023325006470
                3s
                   +0 :               0.00005680607013
                2p
                   -1 :               0.00006562373587
                   +0 :              -0.00008831576652
                   +1 :               0.00017790746428
                3p
                   -1 :               0.00001235705046
                   +0 :               0.00005064387787
                   +1 :              -0.00006975643876
                3d
                   -2 :              -0.00000811403535
                   -1 :              -0.00000327911671
                   +0 :              -0.00000604397474
                   +1 :              -0.00000147877006
                   +2 :               0.00000717595044
             11 vec=    10.373291    -11.736232      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000625831755
                2s
                   +0 :               0.00010029266472
                3s
                   +0 :              -0.00003503211395
                2p
                   -1 :              -0.00010722492643
                   +0 :               0.00010277834043
                   +1 :               0.00007209841647
                3p
                   -1 :               0.00002550457143
                   +0 :              -0.00006002071184
                   +1 :              -0.00002590868728
                3d
                   -2 :               0.00000028473476
                   -1 :               0.00000981295361
                   +0 :              -0.00001398113289
                   +1 :              -0.00000662919832
                   +2 :              -0.00000450125918
             12 vec=    -5.187034     15.215042      4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00001722656739
                2s
                   +0 :              -0.00012066781311
                3s
                   +0 :               0.00003911429480
                2p
                   -1 :              -0.00006588323715
                   +0 :               0.00006824593627
                   +1 :              -0.00004109413543
                3p
                   -1 :               0.00000361810258
                   +0 :              -0.00008402536623
                   +1 :               0.00002397283886
                3d
                   -2 :              -0.00000112948027
                   -1 :              -0.00000390681756
                   +0 :              -0.00000073476515
                   +1 :              -0.00000403531228
                   +2 :              -0.00000333421474
             13 vec=     2.593128    -16.228111      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00000595051123
                2s
                   +0 :               0.00004134361144
                3s
                   +0 :              -0.00002643583322
                2p
                   -1 :              -0.00002928818390
                   +0 :               0.00003762412969
                   +1 :              -0.00001450858465
                3p
                   -1 :               0.00002115209112
                   +0 :              -0.00002893928870
                   +1 :               0.00000270180848
                3d
                   -2 :              -0.00000455803992
                   -1 :              -0.00000199727851
                   +0 :               0.00000268897591
                   +1 :              -0.00000174927663
                   +2 :              -0.00000043370743
             14 vec=   -12.967197     10.723163      4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00000546696140
                2s
                   +0 :              -0.00006531753671
                3s
                   +0 :              -0.00000052577366
                2p
                   -1 :              -0.00005349832610
                   +0 :              -0.00001245076953
                   +1 :              -0.00008373225198
                3p
                   -1 :               0.00000754451818
                   +0 :              -0.00002504150664
                   +1 :               0.00012115464710
                3d
                   -2 :               0.00000688092150
                   -1 :               0.00000243105212
                   +0 :              -0.00000376900168
                   +1 :               0.00000194493107
                   +2 :              -0.00000299141213
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 26)  npairs=  14
              1 vec=    -2.174037      1.739405      4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00103536767435
                2s
                   +0 :              -0.03832044841623
                3s
                   +0 :               0.00171054091147
                2p
                   -1 :              -0.00857675279805
                   +0 :              -0.02804496539268
                   +1 :               0.00251620278773
                3p
                   -1 :              -0.00108934655220
                   +0 :               0.00577713768594
                   +1 :               0.00151308683966
                3d
                   -2 :               0.00081026712203
                   -1 :              -0.00059175960015
                   +0 :              -0.00073203674734
                   +1 :              -0.00010227067017
                   +2 :               0.00040668388987
              2 vec=     5.606126     -2.752474      4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00012210295555
                2s
                   +0 :              -0.00040623949973
                3s
                   +0 :               0.00034589531474
                2p
                   -1 :              -0.00487922693794
                   +0 :              -0.00335417500140
                   +1 :               0.00191164712090
                3p
                   -1 :               0.00354221550838
                   +0 :               0.00422606764884
                   +1 :              -0.00021347016621
                3d
                   -2 :               0.00024387045079
                   -1 :               0.00005777703594
                   +0 :               0.00031615293072
                   +1 :              -0.00035342777133
                   +2 :              -0.00012556080456
              3 vec=    -2.174037     -7.244353      4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00044013300332
                2s
                   +0 :              -0.00258667579345
                3s
                   +0 :               0.00134574094019
                2p
                   -1 :               0.00183103321386
                   +0 :              -0.00423050697986
                   +1 :              -0.00064510614354
                3p
                   -1 :              -0.00144600622012
                   +0 :               0.00159043447014
                   +1 :               0.00004878146208
                3d
                   -2 :               0.00004050843254
                   -1 :              -0.00022975456759
                   +0 :              -0.00022094878092
                   +1 :              -0.00020151591289
                   +2 :              -0.00018328924446
              4 vec=     5.606126      6.231284      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00026119412563
                2s
                   +0 :               0.00162976124058
                3s
                   +0 :              -0.00038071855167
                2p
                   -1 :               0.00042622846718
                   +0 :               0.00124316856714
                   +1 :              -0.00093693251821
                3p
                   -1 :               0.00019410932443
                   +0 :              -0.00068438271060
                   +1 :               0.00143296150829
                3d
                   -2 :               0.00003264096527
                   -1 :              -0.00010604354380
                   +0 :               0.00001539973292
                   +1 :               0.00001921321017
                   +2 :               0.00003186207015
              5 vec=    -9.954199     -2.752474      4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00017854029250
                2s
                   +0 :               0.00042583329624
                3s
                   +0 :              -0.00051412508667
                2p
                   -1 :              -0.00036458394546
                   +0 :              -0.00087786719507
                   +1 :               0.00074182000306
                3p
                   -1 :               0.00058039446554
                   +0 :               0.00021576250894
                   +1 :              -0.00027379039762
                3d
                   -2 :              -0.00001016029243
                   -1 :              -0.00000148948700
                   +0 :              -0.00010544435593
                   +1 :               0.00001472108127
                   +2 :               0.00005919731293
              6 vec=    -2.174037     10.723163      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00006236403327
                2s
                   +0 :               0.00024283936531
                3s
                   +0 :              -0.00010706288560
                2p
                   -1 :               0.00033884445163
                   +0 :               0.00014420013041
                   +1 :               0.00025149409031
                3p
                   -1 :              -0.00036056865549
                   +0 :              -0.00011448526147
                   +1 :              -0.00034017876455
                3d
                   -2 :              -0.00003456381369
                   -1 :               0.00003867318933
                   +0 :               0.00002380748628
                   +1 :              -0.00002713726526
                   +2 :              -0.00002099848827
              7 vec=    -9.954199      6.231284      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00000367766583
                2s
                   +0 :              -0.00042124688216
                3s
                   +0 :              -0.00009959618862
                2p
                   -1 :              -0.00027319722926
                   +0 :              -0.00068351283189
                   +1 :               0.00032428766290
                3p
                   -1 :               0.00019826901160
                   +0 :               0.00046613087283
                   +1 :              -0.00013364463504
                3d
                   -2 :              -0.00001117863396
                   -1 :               0.00003105963731
                   +0 :               0.00003506270145
                   +1 :              -0.00005262938206
                   +2 :              -0.00001783907299
              8 vec=     5.606126    -11.736232      4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00003109878845
                2s
                   +0 :               0.00003266439767
                3s
                   +0 :               0.00011314774569
                2p
                   -1 :               0.00019411036572
                   +0 :               0.00049928410026
                   +1 :              -0.00016440199775
                3p
                   -1 :              -0.00022469074502
                   +0 :              -0.00016990465726
                   +1 :              -0.00002799395754
                3d
                   -2 :               0.00002005516319
                   -1 :              -0.00001703551873
                   +0 :               0.00001190894052
                   +1 :              -0.00002706928628
                   +2 :              -0.00000688688171
              9 vec=    13.386289      1.739405      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00008604878993
                2s
                   +0 :               0.00078857495781
                3s
                   +0 :              -0.00019865529894
                2p
                   -1 :               0.00035306826662
                   +0 :               0.00024524717882
                   +1 :               0.00030472757560
                3p
                   -1 :              -0.00019178468675
                   +0 :              -0.00001742500395
                   +1 :              -0.00013368757237
                3d
                   -2 :              -0.00001760403375
                   -1 :              -0.00001389067533
                   +0 :               0.00001182725517
                   +1 :              -0.00000542580313
                   +2 :              -0.00002206473510
             10 vec=    13.386289     -7.244353      4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000534885915
                2s
                   +0 :               0.00006697714489
                3s
                   +0 :              -0.00000169106061
                2p
                   -1 :              -0.00011610064108
                   +0 :               0.00010728299502
                   +1 :              -0.00003882877699
                3p
                   -1 :               0.00008181061067
                   +0 :              -0.00003645283778
                   +1 :               0.00003974865652
                3d
                   -2 :              -0.00000906527687
                   -1 :               0.00001016705895
                   +0 :               0.00000186171112
                   +1 :               0.00000027179417
                   +2 :               0.00000879871233
             11 vec=    -9.954199    -11.736232      4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00006189790872
                2s
                   +0 :              -0.00039031254151
                3s
                   +0 :               0.00017474348806
                2p
                   -1 :               0.00014142101551
                   +0 :              -0.00019598463067
                   +1 :               0.00015257712613
                3p
                   -1 :              -0.00003107633428
                   +0 :               0.00013827408585
                   +1 :              -0.00011057280195
                3d
                   -2 :              -0.00000144486875
                   -1 :              -0.00000835981978
                   +0 :               0.00000817134089
                   +1 :              -0.00001303899050
                   +2 :               0.00000297552761
             12 vec=     5.606126     15.215042      4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00001722242619
                2s
                   +0 :               0.00011709952639
                3s
                   +0 :              -0.00005442397350
                2p
                   -1 :               0.00018532765211
                   +0 :               0.00001915270353
                   +1 :               0.00000252351583
                3p
                   -1 :              -0.00013134670071
                   +0 :              -0.00002049740446
                   +1 :              -0.00002219387753
                3d
                   -2 :              -0.00000365426384
                   -1 :               0.00000082379199
                   +0 :               0.00000045673464
                   +1 :              -0.00000842114696
                   +2 :               0.00000347113136
             13 vec=    -2.174037    -16.228111      4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00000287722553
                2s
                   +0 :              -0.00001711884534
                3s
                   +0 :              -0.00000069059997
                2p
                   -1 :              -0.00006290888852
                   +0 :              -0.00002821849249
                   +1 :              -0.00001685305077
                3p
                   -1 :               0.00007729598491
                   +0 :               0.00002225021842
                   +1 :               0.00003046175476
                3d
                   -2 :               0.00000292231940
                   -1 :              -0.00000586462053
                   +0 :               0.00000246354728
                   +1 :              -0.00000003973178
                   +2 :              -0.00000291667177
             14 vec=    13.386289     10.723163      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00001394216907
                2s
                   +0 :               0.00009893865618
                3s
                   +0 :              -0.00002875086160
                2p
                   -1 :               0.00001459140333
                   +0 :               0.00003115394333
                   +1 :               0.00009955929803
                3p
                   -1 :               0.00000411176364
                   +0 :               0.00000066419765
                   +1 :              -0.00005032109005
                3d
                   -2 :              -0.00000803593985
                   -1 :              -0.00000309385338
                   +0 :               0.00000088383269
                   +1 :               0.00000307087534
                   +2 :              -0.00000039237171
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 27)  npairs=  14
              1 vec=     0.209546     -3.115867      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00239207911522
                2s
                   +0 :               0.01477489738819
                3s
                   +0 :              -0.00567086269970
                2p
                   -1 :              -0.00631837220596
                   +0 :               0.00083445339969
                   +1 :              -0.00296473601007
                3p
                   -1 :               0.00478616055168
                   +0 :               0.00197080563169
                   +1 :              -0.00419716703052
                3d
                   -2 :               0.00092806146315
                   -1 :               0.00010221987315
                   +0 :               0.00085184377436
                   +1 :              -0.00139233299890
                   +2 :               0.00005100127179
              2 vec=     0.209546      5.867891      4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00006938677257
                2s
                   +0 :               0.00166964010153
                3s
                   +0 :              -0.00027887748120
                2p
                   -1 :               0.00416902908763
                   +0 :               0.00077873350221
                   +1 :               0.00259056555635
                3p
                   -1 :              -0.00312536406654
                   +0 :              -0.00025033617292
                   +1 :              -0.00291243808977
                3d
                   -2 :              -0.00011501474835
                   -1 :               0.00000789482383
                   +0 :               0.00006099016886
                   +1 :              -0.00017037374739
                   +2 :               0.00035261818401
              3 vec=    -7.570617      1.376012      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00019522513226
                2s
                   +0 :              -0.00103507902430
                3s
                   +0 :               0.00031067613665
                2p
                   -1 :              -0.00144693439643
                   +0 :              -0.00391060532808
                   +1 :               0.00122371824527
                3p
                   -1 :               0.00015633132140
                   +0 :               0.00052284480167
                   +1 :              -0.00079480194215
                3d
                   -2 :              -0.00006514538926
                   -1 :              -0.00014682864191
                   +0 :              -0.00020711099730
                   +1 :              -0.00005462913347
                   +2 :               0.00009446958993
              4 vec=     7.989708      1.376012      4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00028608738660
                2s
                   +0 :               0.00149014641987
                3s
                   +0 :              -0.00038897391618
                2p
                   -1 :               0.00205635424624
                   +0 :               0.00249402716579
                   +1 :              -0.00037855513024
                3p
                   -1 :              -0.00141338894718
                   +0 :              -0.00010332976018
                   +1 :               0.00064708567069
                3d
                   -2 :               0.00006456311681
                   -1 :               0.00009858615833
                   +0 :               0.00003195270623
                   +1 :               0.00018308345750
                   +2 :               0.00011408733123
              5 vec=    -7.570617     -7.607746      4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00022734109878
                2s
                   +0 :               0.00104731723056
                3s
                   +0 :              -0.00072057489791
                2p
                   -1 :              -0.00092409437736
                   +0 :              -0.00065661947857
                   +1 :              -0.00062258431430
                3p
                   -1 :               0.00094269548156
                   +0 :               0.00027307213844
                   +1 :               0.00058668827125
                3d
                   -2 :              -0.00002693816592
                   -1 :              -0.00003973349866
                   +0 :              -0.00004445838402
                   +1 :              -0.00002752564582
                   +2 :               0.00003673306903
              6 vec=     7.989708     -7.607746      4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00000545127640
                2s
                   +0 :              -0.00000059021929
                3s
                   +0 :               0.00015602294343
                2p
                   -1 :              -0.00018530922600
                   +0 :               0.00054837451493
                   +1 :               0.00027419899126
                3p
                   -1 :              -0.00001912011917
                   +0 :              -0.00043571377351
                   +1 :              -0.00018390002882
                3d
                   -2 :              -0.00005961166416
                   -1 :               0.00001899432367
                   +0 :              -0.00007822245709
                   +1 :               0.00000257291461
                   +2 :              -0.00002029673075
              7 vec=     0.209546    -12.099625      4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00006280772493
                2s
                   +0 :               0.00028455864879
                3s
                   +0 :              -0.00023493846432
                2p
                   -1 :              -0.00028642294704
                   +0 :              -0.00014643089277
                   +1 :               0.00028998635231
                3p
                   -1 :               0.00029956256629
                   +0 :               0.00005542504594
                   +1 :              -0.00018498529346
                3d
                   -2 :              -0.00000666389367
                   -1 :               0.00000810619300
                   +0 :               0.00000861253626
                   +1 :               0.00002441122341
                   +2 :               0.00000020112823
              8 vec=    -7.570617     10.359770      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00004908909699
                2s
                   +0 :               0.00002763055279
                3s
                   +0 :              -0.00019975061242
                2p
                   -1 :               0.00043123073629
                   +0 :              -0.00021300037600
                   +1 :               0.00006153801230
                3p
                   -1 :              -0.00044320460971
                   +0 :               0.00002903998717
                   +1 :               0.00004208755522
                3d
                   -2 :               0.00000556772147
                   -1 :               0.00002463462017
                   +0 :              -0.00002278386038
                   +1 :              -0.00000033689001
                   +2 :               0.00002809365043
              9 vec=     7.989708     10.359770      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00003823706804
                2s
                   +0 :               0.00056862940495
                3s
                   +0 :              -0.00008373973201
                2p
                   -1 :               0.00065848995999
                   +0 :               0.00010397891825
                   +1 :               0.00012569849100
                3p
                   -1 :              -0.00042632977684
                   +0 :              -0.00002034521658
                   +1 :              -0.00002403923942
                3d
                   -2 :               0.00000706597542
                   -1 :              -0.00001389113867
                   +0 :               0.00001489229848
                   +1 :              -0.00001647453214
                   +2 :               0.00003614906074
             10 vec=     0.209546     14.851649      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00002146390412
                2s
                   +0 :              -0.00013359022395
                3s
                   +0 :               0.00007560181374
                2p
                   -1 :              -0.00011997175877
                   +0 :              -0.00007312200022
                   +1 :              -0.00005284967628
                3p
                   -1 :               0.00009050720006
                   +0 :               0.00006246176661
                   +1 :               0.00000003524668
                3d
                   -2 :              -0.00000184052870
                   -1 :               0.00001035153922
                   +0 :               0.00000021095484
                   +1 :              -0.00000672706557
                   +2 :              -0.00000334315350
             11 vec=   -15.350780     -3.115867      4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00001652015985
                2s
                   +0 :              -0.00014734967497
                3s
                   +0 :               0.00000486935005
                2p
                   -1 :              -0.00001582336087
                   +0 :               0.00006528336848
                   +1 :               0.00009882700565
                3p
                   -1 :               0.00006940893196
                   +0 :              -0.00011998240135
                   +1 :               0.00005118782692
                3d
                   -2 :              -0.00000154273756
                   -1 :               0.00000403632556
                   +0 :               0.00001135739982
                   +1 :               0.00001219802824
                   +2 :              -0.00000919794081
             12 vec=    15.769871     -3.115867      4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00000998129565
                2s
                   +0 :               0.00012444147474
                3s
                   +0 :              -0.00004146761708
                2p
                   -1 :              -0.00000751102038
                   +0 :              -0.00005842772503
                   +1 :              -0.00000855517543
                3p
                   -1 :              -0.00001337762266
                   +0 :               0.00007013225424
                   +1 :               0.00008865309882
                3d
                   -2 :               0.00001048950825
                   -1 :               0.00000592110778
                   +0 :              -0.00000413490924
                   +1 :              -0.00000901456573
                   +2 :               0.00001683370562
             13 vec=   -15.350780      5.867891      4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00002866825273
                2s
                   +0 :              -0.00017791179550
                3s
                   +0 :               0.00006563327090
                2p
                   -1 :               0.00000173669641
                   +0 :               0.00009757170134
                   +1 :               0.00009116430543
                3p
                   -1 :              -0.00002605724075
                   +0 :              -0.00007427882109
                   +1 :              -0.00002329976699
                3d
                   -2 :               0.00000168617607
                   -1 :               0.00000041639570
                   +0 :              -0.00000164382755
                   +1 :              -0.00000147267893
                   +2 :              -0.00000587098776
             14 vec=    15.769871      5.867891      4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000825347425
                2s
                   +0 :               0.00008063645470
                3s
                   +0 :              -0.00002241250776
                2p
                   -1 :               0.00011379142922
                   +0 :               0.00004941382097
                   +1 :               0.00004061507770
                3p
                   -1 :              -0.00007343914857
                   +0 :              -0.00004309429795
                   +1 :               0.00001287666118
                3d
                   -2 :               0.00000453792586
                   -1 :              -0.00000624091264
                   +0 :              -0.00000329477834
                   +1 :               0.00000017620481
                   +2 :               0.00000168021289
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 28)  npairs=  15
              1 vec=    -2.174555     -4.491729     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00000235961917
                2s
                   +0 :               0.00037976952159
                3s
                   +0 :               0.00010206250442
                2p
                   -1 :              -0.00058431104214
                   +0 :              -0.00011901269176
                   +1 :              -0.00399485404556
                3p
                   -1 :              -0.00026371727303
                   +0 :              -0.00101905563819
                   +1 :               0.00273667886273
                3d
                   -2 :               0.00006088197249
                   -1 :               0.00009646527954
                   +0 :               0.00001851105558
                   +1 :              -0.00019021068255
                   +2 :               0.00000220631255
              2 vec=    -2.174555      4.492029     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00047236582024
                2s
                   +0 :              -0.00401214062194
                3s
                   +0 :               0.00103832213541
                2p
                   -1 :              -0.00181687018812
                   +0 :               0.00382037809522
                   +1 :              -0.00151781121263
                3p
                   -1 :              -0.00016557984278
                   +0 :              -0.00105189588175
                   +1 :               0.00046051030828
                3d
                   -2 :              -0.00007062025775
                   -1 :               0.00013569850556
                   +0 :               0.00002317522838
                   +1 :               0.00003309757647
                   +2 :               0.00010963552384
              3 vec=     5.605607      0.000150     -8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00028518087143
                2s
                   +0 :               0.00220500922929
                3s
                   +0 :              -0.00040814703898
                2p
                   -1 :              -0.00223914042014
                   +0 :              -0.00066435997647
                   +1 :               0.00233729836588
                3p
                   -1 :               0.00116229009224
                   +0 :              -0.00090310778637
                   +1 :              -0.00108356413355
                3d
                   -2 :              -0.00011724407460
                   -1 :               0.00008957943547
                   +0 :               0.00000445941679
                   +1 :               0.00004868496352
                   +2 :              -0.00005606809696
              4 vec=    -9.954718      0.000150     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00013613018284
                2s
                   +0 :              -0.00119519505258
                3s
                   +0 :               0.00044834686278
                2p
                   -1 :               0.00008938260775
                   +0 :               0.00029768206815
                   +1 :               0.00059352188306
                3p
                   -1 :              -0.00001896903451
                   +0 :              -0.00014357526116
                   +1 :              -0.00042420420403
                3d
                   -2 :               0.00000954149890
                   -1 :              -0.00000020370198
                   +0 :              -0.00001407598498
                   +1 :               0.00004551652256
                   +2 :               0.00003323410521
              5 vec=     5.605607     -8.983608     -8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00004378400144
                2s
                   +0 :               0.00037050420906
                3s
                   +0 :              -0.00008239197507
                2p
                   -1 :               0.00004161607208
                   +0 :               0.00002276423467
                   +1 :               0.00020331220429
                3p
                   -1 :              -0.00014486504711
                   +0 :              -0.00013568627786
                   +1 :              -0.00010386854193
                3d
                   -2 :              -0.00000025135316
                   -1 :               0.00003614161122
                   +0 :              -0.00003447242757
                   +1 :               0.00004383920609
                   +2 :               0.00001056859041
              6 vec=     5.605607      8.983908     -8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00003800863683
                2s
                   +0 :               0.00053604488771
                3s
                   +0 :              -0.00006332567150
                2p
                   -1 :               0.00011652717195
                   +0 :              -0.00024046502611
                   +1 :               0.00028828656485
                3p
                   -1 :               0.00011797279597
                   +0 :               0.00014912832658
                   +1 :              -0.00019336158395
                3d
                   -2 :               0.00001827818621
                   -1 :              -0.00000602005267
                   +0 :              -0.00001178511713
                   +1 :               0.00000918852183
                   +2 :              -0.00001669940822
              7 vec=    -9.954718     -8.983608     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00000603611529
                2s
                   +0 :               0.00000508408594
                3s
                   +0 :              -0.00005439048894
                2p
                   -1 :               0.00006505087743
                   +0 :              -0.00004108773994
                   +1 :              -0.00016924967919
                3p
                   -1 :               0.00000114215240
                   +0 :               0.00011132772636
                   +1 :               0.00019590910290
                3d
                   -2 :               0.00000362591553
                   -1 :              -0.00001388189762
                   +0 :              -0.00000617857589
                   +1 :               0.00000337544907
                   +2 :               0.00001667522312
              8 vec=    -9.954718      8.983908     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00003091859574
                2s
                   +0 :              -0.00025954934097
                3s
                   +0 :               0.00008951404891
                2p
                   -1 :              -0.00016122392828
                   +0 :               0.00019251401380
                   +1 :               0.00021314274154
                3p
                   -1 :               0.00006045148330
                   +0 :              -0.00014799087589
                   +1 :              -0.00013168068740
                3d
                   -2 :               0.00000188551817
                   -1 :              -0.00000531126640
                   +0 :               0.00001112203774
                   +1 :               0.00000709407724
                   +2 :               0.00000939312083
              9 vec=    -2.174555    -13.475487     -8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00003293883911
                2s
                   +0 :              -0.00023197551569
                3s
                   +0 :               0.00008848174307
                2p
                   -1 :               0.00013426502736
                   +0 :               0.00003612364239
                   +1 :              -0.00005242967686
                3p
                   -1 :              -0.00007897051379
                   +0 :               0.00004964385305
                   +1 :               0.00004108738993
                3d
                   -2 :              -0.00000759432226
                   -1 :              -0.00001053859588
                   +0 :               0.00000356017440
                   +1 :               0.00000165253239
                   +2 :              -0.00000225091198
             10 vec=    -2.174555     13.475787     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00001620879004
                2s
                   +0 :               0.00012905435713
                3s
                   +0 :              -0.00005517187590
                2p
                   -1 :               0.00006180427932
                   +0 :              -0.00001264363345
                   +1 :              -0.00004705336816
                3p
                   -1 :              -0.00003324754109
                   +0 :               0.00002440125189
                   +1 :               0.00004315471147
                3d
                   -2 :               0.00000684311405
                   -1 :              -0.00000024759868
                   +0 :               0.00000021737251
                   +1 :               0.00000371339014
                   +2 :              -0.00000275743106
             11 vec=    13.385770     -4.491729     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00002063224576
                2s
                   +0 :              -0.00006772388105
                3s
                   +0 :               0.00009365662636
                2p
                   -1 :              -0.00021154215365
                   +0 :               0.00008365635014
                   +1 :              -0.00001263819488
                3p
                   -1 :               0.00014404029261
                   +0 :              -0.00012101487148
                   +1 :               0.00007645482369
                3d
                   -2 :               0.00000198807310
                   -1 :              -0.00000748547971
                   +0 :               0.00000607617539
                   +1 :              -0.00000902158739
                   +2 :              -0.00000282196980
             12 vec=    13.385770      4.492029     -8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00002834220039
                2s
                   +0 :               0.00022942409859
                3s
                   +0 :              -0.00006880001652
                2p
                   -1 :               0.00001684663814
                   +0 :              -0.00011947449771
                   +1 :               0.00028885231008
                3p
                   -1 :               0.00003650067018
                   +0 :               0.00003942863105
                   +1 :              -0.00017457334365
                3d
                   -2 :              -0.00000215510225
                   -1 :              -0.00000454554762
                   +0 :               0.00000698320817
                   +1 :               0.00001185595029
                   +2 :              -0.00000924479610
             13 vec=    -2.174555     -4.491729     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00000790227139
                2s
                   +0 :               0.00003999764817
                3s
                   +0 :              -0.00002882581140
                2p
                   -1 :               0.00002569357107
                   +0 :               0.00005876827493
                   +1 :              -0.00012411345450
                3p
                   -1 :              -0.00000420983287
                   +0 :              -0.00005456934690
                   +1 :               0.00004806720249
                3d
                   -2 :               0.00000462084170
                   -1 :              -0.00000061575311
                   +0 :               0.00000042516775
                   +1 :               0.00000129153681
                   +2 :              -0.00000361213585
             14 vec=    -2.174555      4.492029     16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00000438617881
                2s
                   +0 :              -0.00001276589999
                3s
                   +0 :               0.00002066013699
                2p
                   -1 :               0.00001794066689
                   +0 :              -0.00000509398215
                   +1 :              -0.00009589202951
                3p
                   -1 :              -0.00000359833643
                   +0 :               0.00003848934838
                   +1 :               0.00005533060211
                3d
                   -2 :               0.00000318650237
                   -1 :               0.00000347920921
                   +0 :               0.00001026495634
                   +1 :              -0.00000143519137
                   +2 :              -0.00000599781023
             15 vec=     5.605607      0.000150     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000737475170
                2s
                   +0 :               0.00004933879595
                3s
                   +0 :              -0.00001620799189
                2p
                   -1 :              -0.00000673957409
                   +0 :              -0.00000495327729
                   +1 :              -0.00001194433386
                3p
                   -1 :               0.00001300782833
                   +0 :               0.00002348487644
                   +1 :               0.00000445614843
                3d
                   -2 :               0.00000539353792
                   -1 :               0.00000021717307
                   +0 :               0.00000470914660
                   +1 :              -0.00000035475462
                   +2 :               0.00000160879525
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 29)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00015386864202
                2s
                   +0 :              -0.00188013620092
                3s
                   +0 :               0.00019967826752
                2p
                   -1 :               0.00108309198851
                   +0 :               0.00148428536572
                   +1 :              -0.00000259857857
                3p
                   -1 :               0.00037709222085
                   +0 :              -0.00014638005878
                   +1 :               0.00054997050027
                3d
                   -2 :              -0.00006068246977
                   -1 :              -0.00009227794442
                   +0 :               0.00003099393948
                   +1 :              -0.00015343558689
                   +2 :               0.00008041612589
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00013039831070
                2s
                   +0 :              -0.00116174925282
                3s
                   +0 :               0.00024679387507
                2p
                   -1 :              -0.00016817822629
                   +0 :              -0.00003337980191
                   +1 :               0.00084426418943
                3p
                   -1 :               0.00034026616144
                   +0 :               0.00046360590287
                   +1 :              -0.00064401592543
                3d
                   -2 :               0.00002859879603
                   -1 :              -0.00014339223623
                   +0 :              -0.00007085082665
                   +1 :              -0.00003446533402
                   +2 :              -0.00005528043581
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00035351183711
                2s
                   +0 :               0.00274989231348
                3s
                   +0 :              -0.00052525676404
                2p
                   -1 :               0.00236532219959
                   +0 :              -0.00253294885558
                   +1 :               0.00069760240133
                3p
                   -1 :              -0.00022166000497
                   +0 :               0.00001044807116
                   +1 :              -0.00103210630655
                3d
                   -2 :              -0.00008683318660
                   -1 :              -0.00019142035592
                   +0 :               0.00005207484600
                   +1 :               0.00014953581022
                   +2 :              -0.00013828928577
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00004280115204
                2s
                   +0 :               0.00001805071036
                3s
                   +0 :              -0.00003182589063
                2p
                   -1 :              -0.00029498983266
                   +0 :               0.00010688131660
                   +1 :               0.00059666358474
                3p
                   -1 :               0.00021562075866
                   +0 :               0.00011994597845
                   +1 :              -0.00054260520335
                3d
                   -2 :               0.00005410819143
                   -1 :               0.00002329019744
                   +0 :              -0.00002048830728
                   +1 :               0.00000109997019
                   +2 :              -0.00003073407079
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000876717389
                2s
                   +0 :              -0.00007829365308
                3s
                   +0 :              -0.00005969352979
                2p
                   -1 :               0.00006122493049
                   +0 :              -0.00019188824158
                   +1 :              -0.00015255505483
                3p
                   -1 :              -0.00007273057932
                   +0 :               0.00012829245827
                   +1 :               0.00012681821049
                3d
                   -2 :              -0.00000341927848
                   -1 :               0.00001732651757
                   +0 :              -0.00001593746430
                   +1 :               0.00001352481468
                   +2 :               0.00002244854508
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001798640310
                2s
                   +0 :               0.00044522150616
                3s
                   +0 :               0.00006483531492
                2p
                   -1 :              -0.00041706126386
                   +0 :              -0.00052497177848
                   +1 :               0.00051156052312
                3p
                   -1 :               0.00023475129327
                   +0 :               0.00037904529435
                   +1 :              -0.00024940879733
                3d
                   -2 :               0.00002693417995
                   -1 :               0.00000398877617
                   +0 :              -0.00006509678621
                   +1 :               0.00002439507029
                   +2 :              -0.00000342951282
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000513374379
                2s
                   +0 :               0.00000990159476
                3s
                   +0 :              -0.00003975106141
                2p
                   -1 :               0.00011847715176
                   +0 :               0.00033606093679
                   +1 :              -0.00019105912448
                3p
                   -1 :              -0.00007154414744
                   +0 :              -0.00022363487474
                   +1 :               0.00021577676645
                3d
                   -2 :               0.00000296212213
                   -1 :               0.00001907718845
                   +0 :               0.00002617216444
                   +1 :              -0.00000728523119
                   +2 :              -0.00002339623955
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000375978151
                2s
                   +0 :              -0.00005184571015
                3s
                   +0 :              -0.00002533481657
                2p
                   -1 :              -0.00002964221366
                   +0 :               0.00025280591725
                   +1 :               0.00000768393674
                3p
                   -1 :              -0.00002139718777
                   +0 :              -0.00011741697158
                   +1 :               0.00003692483275
                3d
                   -2 :              -0.00000215913625
                   -1 :               0.00000911514127
                   +0 :              -0.00000534024483
                   +1 :               0.00000220485878
                   +2 :               0.00000125529244
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00000878854106
                2s
                   +0 :               0.00007560551924
                3s
                   +0 :              -0.00003777565293
                2p
                   -1 :               0.00003146582009
                   +0 :              -0.00009834704488
                   +1 :              -0.00010904829701
                3p
                   -1 :              -0.00003804061699
                   +0 :               0.00005806639865
                   +1 :               0.00005173993829
                3d
                   -2 :              -0.00001099368567
                   -1 :              -0.00001038585419
                   +0 :              -0.00000738506681
                   +1 :              -0.00000453730277
                   +2 :              -0.00000054510228
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00002925656661
                2s
                   +0 :               0.00021716643067
                3s
                   +0 :              -0.00008365312733
                2p
                   -1 :              -0.00006946018887
                   +0 :              -0.00011631238596
                   +1 :               0.00014726239884
                3p
                   -1 :              -0.00000045572523
                   +0 :               0.00007635133394
                   +1 :              -0.00009820624855
                3d
                   -2 :               0.00000900103508
                   -1 :               0.00000387752128
                   +0 :               0.00000875074799
                   +1 :               0.00001508331260
                   +2 :               0.00002165777682
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000665590854
                2s
                   +0 :               0.00003563516106
                3s
                   +0 :              -0.00002852684156
                2p
                   -1 :               0.00005742727817
                   +0 :               0.00001654081184
                   +1 :              -0.00001104175011
                3p
                   -1 :              -0.00006356028090
                   +0 :              -0.00003166481725
                   +1 :              -0.00001752487172
                3d
                   -2 :              -0.00000393649802
                   -1 :              -0.00000361668564
                   +0 :               0.00000507931808
                   +1 :              -0.00000719706611
                   +2 :              -0.00000159898110
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00001132224481
                2s
                   +0 :              -0.00004208577732
                3s
                   +0 :               0.00005812252995
                2p
                   -1 :               0.00003969095138
                   +0 :              -0.00006797462397
                   +1 :               0.00000914833137
                3p
                   -1 :              -0.00001468715466
                   +0 :               0.00004359012332
                   +1 :               0.00003169178156
                3d
                   -2 :               0.00000640310611
                   -1 :               0.00000126469696
                   +0 :              -0.00000477290956
                   +1 :               0.00000509333174
                   +2 :               0.00000416698140
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000990073091
                2s
                   +0 :               0.00003250542867
                3s
                   +0 :              -0.00003680422084
                2p
                   -1 :               0.00002737026384
                   +0 :              -0.00000744005234
                   +1 :              -0.00001807588255
                3p
                   -1 :              -0.00004111056523
                   +0 :              -0.00000972662389
                   +1 :              -0.00000241481433
                3d
                   -2 :              -0.00000158928606
                   -1 :              -0.00000296357158
                   +0 :               0.00000336441211
                   +1 :              -0.00000149909942
                   +2 :              -0.00000122223489
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001965654761
                2s
                   +0 :               0.00015801233710
                3s
                   +0 :              -0.00004633249769
                2p
                   -1 :              -0.00001251189537
                   +0 :               0.00012879262002
                   +1 :               0.00000810308311
                3p
                   -1 :              -0.00002303910041
                   +0 :              -0.00005189029222
                   +1 :              -0.00001009346058
                3d
                   -2 :              -0.00000167484587
                   -1 :              -0.00000471091002
                   +0 :               0.00000293577765
                   +1 :              -0.00000137309215
                   +2 :              -0.00000621902184
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001625116817
                2s
                   +0 :               0.00006898588219
                3s
                   +0 :              -0.00006953300662
                2p
                   -1 :               0.00009133822695
                   +0 :               0.00002254266969
                   +1 :              -0.00004423239003
                3p
                   -1 :              -0.00006463671481
                   +0 :              -0.00005552769385
                   +1 :               0.00000690332055
                3d
                   -2 :               0.00000005884895
                   -1 :               0.00000012640800
                   +0 :              -0.00000333223025
                   +1 :              -0.00000364065315
                   +2 :              -0.00000295780541
WF             site_B          number of pairs
WF( 20)=[O_5_2px]  to site O ( 30)  npairs=  14
              1 vec=     0.209546      0.362644     -8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00034158803744
                2s
                   +0 :               0.00209294110832
                3s
                   +0 :              -0.00065312798615
                2p
                   -1 :               0.00070821177188
                   +0 :              -0.00198645670249
                   +1 :              -0.00353612534642
                3p
                   -1 :              -0.00049012564012
                   +0 :               0.00087964058397
                   +1 :               0.00185426386907
                3d
                   -2 :               0.00011381943413
                   -1 :              -0.00000574728565
                   +0 :               0.00009844718570
                   +1 :              -0.00009351210346
                   +2 :               0.00004783341852
              2 vec=    -7.570617     -4.129235     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00011497898533
                2s
                   +0 :               0.00055713909853
                3s
                   +0 :              -0.00028870988399
                2p
                   -1 :               0.00098553179987
                   +0 :              -0.00041897081163
                   +1 :               0.00122006088036
                3p
                   -1 :              -0.00072292214890
                   +0 :               0.00025478811075
                   +1 :              -0.00116967568465
                3d
                   -2 :               0.00005768724222
                   -1 :              -0.00003108032627
                   +0 :              -0.00002432519260
                   +1 :               0.00009261372161
                   +2 :               0.00008938330023
              3 vec=     0.209546     -8.621114     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00007175551441
                2s
                   +0 :               0.00052629631182
                3s
                   +0 :              -0.00028476031299
                2p
                   -1 :              -0.00037248618178
                   +0 :              -0.00009411335559
                   +1 :               0.00013831568820
                3p
                   -1 :               0.00033910764758
                   +0 :               0.00011481810996
                   +1 :              -0.00044526331114
                3d
                   -2 :               0.00007283551148
                   -1 :              -0.00001529078574
                   +0 :               0.00002033341473
                   +1 :               0.00005340900812
                   +2 :               0.00001328099899
              4 vec=    -7.570617      4.854523     -8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00012346021169
                2s
                   +0 :              -0.00122478959308
                3s
                   +0 :               0.00026297786331
                2p
                   -1 :              -0.00087318553089
                   +0 :               0.00053300934776
                   +1 :               0.00070055511563
                3p
                   -1 :               0.00034187940877
                   +0 :              -0.00006659513191
                   +1 :              -0.00043151758275
                3d
                   -2 :               0.00001119638214
                   -1 :              -0.00000223529837
                   +0 :              -0.00003078944503
                   +1 :               0.00002082123882
                   +2 :               0.00000968900901
              5 vec=     7.989708     -4.129235     -8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00027781170490
                2s
                   +0 :              -0.00142208301651
                3s
                   +0 :               0.00101192320634
                2p
                   -1 :               0.00161048233395
                   +0 :               0.00082058822024
                   +1 :              -0.00015680037956
                3p
                   -1 :              -0.00159157507754
                   +0 :              -0.00075400985991
                   +1 :               0.00029182487540
                3d
                   -2 :              -0.00010811162667
                   -1 :               0.00017358809765
                   +0 :               0.00006515338630
                   +1 :              -0.00008967282438
                   +2 :              -0.00004889141718
              6 vec=     0.209546      9.346402     -8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00003468410546
                2s
                   +0 :               0.00016623536386
                3s
                   +0 :              -0.00011745841163
                2p
                   -1 :              -0.00029419515523
                   +0 :              -0.00008253869814
                   +1 :              -0.00050147421994
                3p
                   -1 :               0.00023830321428
                   +0 :               0.00008531182958
                   +1 :               0.00022838109718
                3d
                   -2 :              -0.00000649472556
                   -1 :               0.00000141401809
                   +0 :              -0.00000509095757
                   +1 :              -0.00001658812246
                   +2 :              -0.00001121062314
              7 vec=     7.989708      4.854523     -8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00003786441746
                2s
                   +0 :               0.00067126689071
                3s
                   +0 :              -0.00007068734008
                2p
                   -1 :               0.00054720788739
                   +0 :              -0.00060776350199
                   +1 :               0.00011575264203
                3p
                   -1 :              -0.00027373533258
                   +0 :               0.00016880727421
                   +1 :               0.00003918622814
                3d
                   -2 :              -0.00003026822509
                   -1 :               0.00000928046467
                   +0 :               0.00004142887323
                   +1 :              -0.00001182528968
                   +2 :               0.00000492304699
              8 vec=     0.209546      0.362644     16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000542802159
                2s
                   +0 :               0.00003296299511
                3s
                   +0 :              -0.00001077366171
                2p
                   -1 :              -0.00003050482242
                   +0 :              -0.00004265735767
                   +1 :              -0.00005271971658
                3p
                   -1 :               0.00004472180554
                   +0 :               0.00003657158293
                   +1 :               0.00002483274410
                3d
                   -2 :              -0.00000323469894
                   -1 :               0.00000376343402
                   +0 :               0.00000422725103
                   +1 :               0.00000223182688
                   +2 :               0.00000311381634
              9 vec=    -7.570617    -13.112993     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00001985016120
                2s
                   +0 :               0.00012110734286
                3s
                   +0 :              -0.00009867507659
                2p
                   -1 :              -0.00004460261400
                   +0 :               0.00004424891352
                   +1 :               0.00005651133752
                3p
                   -1 :               0.00005495683065
                   +0 :              -0.00000631543863
                   +1 :              -0.00003518280308
                3d
                   -2 :               0.00000342663846
                   -1 :              -0.00000097241666
                   +0 :               0.00000275321452
                   +1 :               0.00000499945390
                   +2 :               0.00000473029916
             10 vec=   -15.350780      0.362644     -8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00000004434150
                2s
                   +0 :              -0.00007343002818
                3s
                   +0 :              -0.00001834092973
                2p
                   -1 :               0.00006615268180
                   +0 :               0.00008766876227
                   +1 :               0.00000587024324
                3p
                   -1 :              -0.00003333618865
                   +0 :               0.00000325926905
                   +1 :               0.00008500370681
                3d
                   -2 :              -0.00000211915433
                   -1 :              -0.00000588244379
                   +0 :               0.00000387303224
                   +1 :              -0.00000204417223
                   +2 :              -0.00001102155037
             11 vec=     7.989708    -13.112993     -8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000768209269
                2s
                   +0 :               0.00005800657804
                3s
                   +0 :              -0.00001720484601
                2p
                   -1 :              -0.00017566963842
                   +0 :               0.00002485656471
                   +1 :              -0.00011552864791
                3p
                   -1 :               0.00012303450655
                   +0 :              -0.00003261199170
                   +1 :               0.00011185994260
                3d
                   -2 :              -0.00001382646710
                   -1 :               0.00000874947936
                   +0 :              -0.00000367461036
                   +1 :              -0.00001349235114
                   +2 :               0.00001007703056
             12 vec=    -7.570617     13.838281     -8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00002022945110
                2s
                   +0 :              -0.00014095012272
                3s
                   +0 :               0.00004550882586
                2p
                   -1 :              -0.00006435814672
                   +0 :               0.00003407239050
                   +1 :              -0.00000038739372
                3p
                   -1 :               0.00001025434890
                   +0 :               0.00001458710501
                   +1 :              -0.00001738789237
                3d
                   -2 :              -0.00000145262159
                   -1 :               0.00000004923356
                   +0 :              -0.00000456037141
                   +1 :               0.00000181207716
                   +2 :              -0.00000006232970
             13 vec=    15.769871      0.362644     -8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00000334107112
                2s
                   +0 :               0.00002655677158
                3s
                   +0 :               0.00002359952284
                2p
                   -1 :               0.00010523866009
                   +0 :               0.00007099565633
                   +1 :              -0.00002513226236
                3p
                   -1 :              -0.00009640191025
                   +0 :              -0.00008477639209
                   +1 :               0.00007083272254
                3d
                   -2 :              -0.00000823505058
                   -1 :               0.00000491406498
                   +0 :               0.00000971617846
                   +1 :              -0.00000685011640
                   +2 :               0.00000773608421
             14 vec=     7.989708     13.838281     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000969767035
                2s
                   +0 :               0.00008725401195
                3s
                   +0 :              -0.00002416312494
                2p
                   -1 :               0.00008280670812
                   +0 :              -0.00004703675952
                   +1 :              -0.00000679757465
                3p
                   -1 :              -0.00002386630123
                   +0 :               0.00002517629901
                   +1 :               0.00001120081449
                3d
                   -2 :              -0.00000036870101
                   -1 :               0.00000122332780
                   +0 :              -0.00000066436024
                   +1 :              -0.00000131849839
                   +2 :              -0.00000061042663
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al(  1)  npairs=  13
              1 vec=     0.000000      2.752623     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00032364669174
                2p
                   -1 :              -0.00012510606737
                   +0 :               0.00011247339493
                   +1 :               0.00022230579695
                3s
                   +0 :               0.00028616381016
                4s
                   +0 :              -0.00001850714009
                3p
                   -1 :              -0.00055883541568
                   +0 :              -0.00009973146006
                   +1 :              -0.00107084497929
                4p
                   -1 :              -0.00001699403442
                   +0 :              -0.00001093848176
                   +1 :               0.00040597290164
                3d
                   -2 :              -0.00044520414636
                   -1 :               0.00025128361124
                   +0 :              -0.00010790956153
                   +1 :               0.00001078667114
                   +2 :              -0.00046171457495
              2 vec=     0.000000     -6.231135     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00034399033159
                2p
                   -1 :              -0.00005645573633
                   +0 :              -0.00018536537036
                   +1 :               0.00016019956480
                3s
                   +0 :              -0.00148153106894
                4s
                   +0 :               0.00074323179071
                3p
                   -1 :               0.00036250558289
                   +0 :               0.00139332773175
                   +1 :              -0.00051866791075
                4p
                   -1 :              -0.00010365843410
                   +0 :              -0.00051995654724
                   +1 :              -0.00003830120589
                3d
                   -2 :               0.00036002153935
                   -1 :              -0.00016012715238
                   +0 :              -0.00036416914267
                   +1 :               0.00016620823320
                   +2 :              -0.00006967970784
              3 vec=    -7.780163     -1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00009507300514
                2p
                   -1 :               0.00004010327200
                   +0 :               0.00006568743000
                   +1 :               0.00013283191438
                3s
                   +0 :               0.00123758919863
                4s
                   +0 :              -0.00030071447153
                3p
                   -1 :              -0.00049498247747
                   +0 :              -0.00069732680597
                   +1 :              -0.00150050356499
                4p
                   -1 :              -0.00005304609644
                   +0 :               0.00026821786158
                   +1 :               0.00029288008483
                3d
                   -2 :               0.00010955344129
                   -1 :              -0.00002941081196
                   +0 :              -0.00014279343188
                   +1 :               0.00024142349907
                   +2 :               0.00013295355255
              4 vec=     7.780163     -1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00001425871949
                2p
                   -1 :              -0.00012122424587
                   +0 :               0.00002868410920
                   +1 :              -0.00002983462936
                3s
                   +0 :               0.00074134612390
                4s
                   +0 :               0.00007113859500
                3p
                   -1 :               0.00042511582839
                   +0 :              -0.00041006076877
                   +1 :               0.00102425879930
                4p
                   -1 :              -0.00025272944897
                   +0 :               0.00005072463945
                   +1 :              -0.00012807600237
                3d
                   -2 :              -0.00032053476190
                   -1 :               0.00010124955042
                   +0 :              -0.00008603719738
                   +1 :              -0.00032803117949
                   +2 :               0.00025689571162
              5 vec=    -7.780163      7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00020396826966
                2p
                   -1 :               0.00006372989578
                   +0 :               0.00005329478767
                   +1 :               0.00002736559883
                3s
                   +0 :               0.00054432236338
                4s
                   +0 :              -0.00013575027829
                3p
                   -1 :              -0.00038482990532
                   +0 :              -0.00017336566909
                   +1 :               0.00000444627192
                4p
                   -1 :               0.00009258385509
                   +0 :               0.00002238970147
                   +1 :              -0.00005932989254
                3d
                   -2 :               0.00020860449693
                   -1 :               0.00012246758914
                   +0 :               0.00000404071088
                   +1 :               0.00001701554015
                   +2 :               0.00000980420170
              6 vec=     7.780163      7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00000105260516
                2p
                   -1 :               0.00004272029109
                   +0 :               0.00000501417361
                   +1 :              -0.00013942004957
                3s
                   +0 :               0.00013601062477
                4s
                   +0 :              -0.00018575850639
                3p
                   -1 :              -0.00021097641218
                   +0 :              -0.00004646771917
                   +1 :               0.00078987038904
                4p
                   -1 :              -0.00001903893242
                   +0 :               0.00004162996536
                   +1 :              -0.00025901987231
                3d
                   -2 :               0.00004160312369
                   -1 :               0.00011361363353
                   +0 :               0.00004474657950
                   +1 :              -0.00015036846713
                   +2 :               0.00018347826587
              7 vec=     0.000000      2.752623     14.784494   |vec|=   15.038557
                2s
                   +0 :               0.00006819106864
                2p
                   -1 :              -0.00002781353676
                   +0 :               0.00002155361276
                   +1 :               0.00002728693659
                3s
                   +0 :              -0.00013341187544
                4s
                   +0 :               0.00005314108427
                3p
                   -1 :               0.00007246171086
                   +0 :              -0.00002396666654
                   +1 :              -0.00003806144039
                4p
                   -1 :              -0.00001966484649
                   +0 :               0.00001142489379
                   +1 :              -0.00004414711996
                3d
                   -2 :              -0.00009070583894
                   -1 :               0.00003232906143
                   +0 :               0.00002471952060
                   +1 :               0.00000754119130
                   +2 :              -0.00009427932689
              8 vec=     0.000000     11.736381     -9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00032638215173
                2p
                   -1 :               0.00018453518205
                   +0 :              -0.00015667379008
                   +1 :              -0.00009338516798
                3s
                   +0 :              -0.00109393042945
                4s
                   +0 :               0.00025617266376
                3p
                   -1 :              -0.00098320783907
                   +0 :               0.00073228306842
                   +1 :               0.00061434380611
                4p
                   -1 :               0.00018949263945
                   +0 :              -0.00014036261783
                   +1 :              -0.00022447804080
                3d
                   -2 :               0.00007337399505
                   -1 :               0.00032218254336
                   +0 :               0.00000991422703
                   +1 :              -0.00003265236774
                   +2 :               0.00021773657342
              9 vec=     0.000000     -6.231135     14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00010100664209
                2p
                   -1 :              -0.00002275717015
                   +0 :               0.00002642542762
                   +1 :               0.00000827779143
                3s
                   +0 :              -0.00032848636964
                4s
                   +0 :               0.00005360252598
                3p
                   -1 :              -0.00000273340578
                   +0 :              -0.00003746518964
                   +1 :              -0.00005234211606
                4p
                   -1 :              -0.00001010988089
                   +0 :              -0.00003906842453
                   +1 :               0.00002688477099
                3d
                   -2 :               0.00000645831512
                   -1 :              -0.00001961091500
                   +0 :               0.00008042824288
                   +1 :              -0.00001456200863
                   +2 :               0.00002144043761
             10 vec=    -7.780163    -10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00010479446970
                2p
                   -1 :               0.00004947280703
                   +0 :               0.00000027454884
                   +1 :               0.00008883222314
                3s
                   +0 :               0.00020797614115
                4s
                   +0 :              -0.00007901318084
                3p
                   -1 :              -0.00019899452685
                   +0 :               0.00009307478566
                   +1 :              -0.00033486620006
                4p
                   -1 :               0.00004091473896
                   +0 :              -0.00002638776763
                   +1 :               0.00006163095943
                3d
                   -2 :               0.00005486802497
                   -1 :              -0.00001576759319
                   +0 :              -0.00004209156309
                   +1 :               0.00001991613950
                   +2 :               0.00002358467669
             11 vec=     7.780163    -10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00003140255985
                2p
                   -1 :              -0.00001253856283
                   +0 :              -0.00001724874096
                   +1 :               0.00000076361976
                3s
                   +0 :              -0.00026901732998
                4s
                   +0 :               0.00006034952173
                3p
                   -1 :               0.00008370422393
                   +0 :               0.00015582741625
                   +1 :              -0.00013511336588
                4p
                   -1 :              -0.00001692913488
                   +0 :              -0.00003267995910
                   +1 :               0.00002656031363
                3d
                   -2 :               0.00002245021349
                   -1 :              -0.00001510510846
                   +0 :              -0.00000814090521
                   +1 :               0.00004451392643
                   +2 :              -0.00004020955714
             12 vec=    -7.780163     -1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00004198011006
                2p
                   -1 :              -0.00001697140422
                   +0 :              -0.00000266716942
                   +1 :              -0.00000509191083
                3s
                   +0 :              -0.00029173300658
                4s
                   +0 :               0.00006726281817
                3p
                   -1 :              -0.00001212777636
                   +0 :              -0.00006550491192
                   +1 :               0.00011310742048
                4p
                   -1 :              -0.00001780662457
                   +0 :               0.00000199237370
                   +1 :              -0.00001850731963
                3d
                   -2 :              -0.00001191313715
                   -1 :               0.00000460818609
                   +0 :               0.00001812726282
                   +1 :               0.00008008021082
                   +2 :              -0.00006444466015
             13 vec=     7.780163     -1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00000609244889
                2p
                   -1 :              -0.00000795821949
                   +0 :              -0.00001637946040
                   +1 :              -0.00003975991465
                3s
                   +0 :              -0.00009384972433
                4s
                   +0 :              -0.00000245313904
                3p
                   -1 :              -0.00005343358819
                   +0 :               0.00002104043410
                   +1 :               0.00013521645438
                4p
                   -1 :              -0.00001714480329
                   +0 :              -0.00001951174820
                   +1 :              -0.00004551738480
                3d
                   -2 :               0.00000014450857
                   -1 :              -0.00001795184320
                   +0 :               0.00001476850203
                   +1 :              -0.00001443875454
                   +2 :              -0.00004608854920
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al(  2)  npairs=  14
              1 vec=     0.000000      2.752623     -2.510723   |vec|=    3.725676
                2s
                   +0 :               0.02272905524989
                2p
                   -1 :               0.02390682079666
                   +0 :              -0.02153677032131
                   +1 :              -0.00207797814439
                3s
                   +0 :               0.06896413798639
                4s
                   +0 :               0.00865330023056
                3p
                   -1 :               0.02865579688309
                   +0 :              -0.06204885492804
                   +1 :               0.01264558239043
                4p
                   -1 :               0.01255874202890
                   +0 :              -0.00844884201817
                   +1 :              -0.00475865482500
                3d
                   -2 :               0.00153550192944
                   -1 :              -0.04366094027724
                   +0 :               0.02328224681797
                   +1 :              -0.00029571660313
                   +2 :              -0.01612343745610
              2 vec=     0.000000     -6.231135     -2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00213804693765
                2p
                   -1 :              -0.00194731485642
                   +0 :              -0.00112579212064
                   +1 :               0.00088395759538
                3s
                   +0 :              -0.00200526400684
                4s
                   +0 :               0.00469851296666
                3p
                   -1 :               0.00111934950587
                   +0 :               0.00078415322097
                   +1 :              -0.00562030707824
                4p
                   -1 :              -0.00300469399941
                   +0 :              -0.00136995797504
                   +1 :               0.00150243793411
                3d
                   -2 :               0.00085304173939
                   -1 :              -0.00043298661064
                   +0 :              -0.00040610567793
                   +1 :               0.00004527452418
                   +2 :              -0.00022696635262
              3 vec=    -7.780163     -1.739256     -2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00031592919483
                2p
                   -1 :              -0.00051018708560
                   +0 :              -0.00002907111823
                   +1 :               0.00002905241520
                3s
                   +0 :               0.00123442002362
                4s
                   +0 :              -0.00224616198604
                3p
                   -1 :               0.00361260895069
                   +0 :              -0.00007652966087
                   +1 :              -0.00361283130311
                4p
                   -1 :              -0.00097168528061
                   +0 :               0.00057878560040
                   +1 :               0.00236919889446
                3d
                   -2 :              -0.00036981081762
                   -1 :              -0.00038532613105
                   +0 :              -0.00051400066567
                   +1 :               0.00087455894415
                   +2 :               0.00075246784247
              4 vec=     7.780163     -1.739256     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00082575978075
                2p
                   -1 :              -0.00039118702150
                   +0 :              -0.00034093047283
                   +1 :              -0.00067765955361
                3s
                   +0 :               0.00244244231372
                4s
                   +0 :              -0.00068958360021
                3p
                   -1 :               0.00122987870750
                   +0 :               0.00220876687219
                   +1 :               0.00381378719676
                4p
                   -1 :               0.00016675279135
                   +0 :              -0.00052152365136
                   +1 :              -0.00085068188674
                3d
                   -2 :               0.00047532298891
                   -1 :              -0.00035795413771
                   +0 :              -0.00104521132352
                   +1 :              -0.00009153638951
                   +2 :               0.00122564394145
              5 vec=    -7.780163      7.244502     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00027407010361
                2p
                   -1 :              -0.00005208992408
                   +0 :               0.00004997888384
                   +1 :               0.00004371255047
                3s
                   +0 :               0.00074862541763
                4s
                   +0 :              -0.00040466721383
                3p
                   -1 :              -0.00032051737843
                   +0 :              -0.00004220252875
                   +1 :              -0.00021341662583
                4p
                   -1 :               0.00003703816391
                   +0 :               0.00000105096546
                   +1 :               0.00012757960472
                3d
                   -2 :               0.00002484936871
                   -1 :               0.00006860628220
                   +0 :              -0.00025773113511
                   +1 :               0.00020338020157
                   +2 :               0.00000164058473
              6 vec=     7.780163      7.244502     -2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00036400561693
                2p
                   -1 :               0.00011951401706
                   +0 :               0.00012272550211
                   +1 :              -0.00011076472377
                3s
                   +0 :              -0.00064514722339
                4s
                   +0 :              -0.00046464177194
                3p
                   -1 :              -0.00034653846753
                   +0 :              -0.00053034188495
                   +1 :               0.00115646593505
                4p
                   -1 :              -0.00020011442704
                   +0 :               0.00031809634682
                   +1 :              -0.00060816355028
                3d
                   -2 :               0.00024645771945
                   -1 :               0.00016200837402
                   +0 :              -0.00016292048584
                   +1 :              -0.00031423139815
                   +2 :               0.00019950989658
              7 vec=     0.000000     11.736381     -2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00028506803227
                2p
                   -1 :               0.00016956613319
                   +0 :              -0.00018453119845
                   +1 :              -0.00006054020567
                3s
                   +0 :              -0.00036250506218
                4s
                   +0 :               0.00041589125017
                3p
                   -1 :              -0.00045614609452
                   +0 :               0.00010162901148
                   +1 :               0.00014717871365
                4p
                   -1 :               0.00023533981657
                   +0 :              -0.00016650584108
                   +1 :               0.00003778720955
                3d
                   -2 :               0.00040909707610
                   -1 :              -0.00017001172479
                   +0 :               0.00008327780604
                   +1 :               0.00007340594283
                   +2 :              -0.00008179744150
              8 vec=    -7.780163    -10.723014     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00014690960122
                2p
                   -1 :              -0.00005890872137
                   +0 :               0.00022114997626
                   +1 :               0.00028650046326
                3s
                   +0 :              -0.00024665808761
                4s
                   +0 :              -0.00021749603589
                3p
                   -1 :               0.00048309180672
                   +0 :              -0.00016118535629
                   +1 :              -0.00097722914974
                4p
                   -1 :              -0.00009115192900
                   +0 :               0.00014672321852
                   +1 :               0.00040196337603
                3d
                   -2 :              -0.00001407995957
                   -1 :               0.00007447425283
                   +0 :              -0.00021613060827
                   +1 :              -0.00017836934885
                   +2 :               0.00020941448516
              9 vec=     7.780163    -10.723014     -2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00003386518315
                2p
                   -1 :               0.00007194970398
                   +0 :               0.00000885178596
                   +1 :               0.00007733639225
                3s
                   +0 :              -0.00124072407979
                4s
                   +0 :               0.00023639443775
                3p
                   -1 :              -0.00029945430031
                   +0 :               0.00077861381632
                   +1 :              -0.00111429484853
                4p
                   -1 :               0.00010581752814
                   +0 :              -0.00001236041968
                   +1 :               0.00024067544286
                3d
                   -2 :               0.00010346780282
                   -1 :              -0.00006471025295
                   +0 :              -0.00029404528651
                   +1 :               0.00028450066927
                   +2 :              -0.00023521417678
             10 vec=     0.000000    -15.214893     -2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00001736684982
                2p
                   -1 :              -0.00002380681506
                   +0 :              -0.00001011795933
                   +1 :              -0.00000572066274
                3s
                   +0 :              -0.00022908114700
                4s
                   +0 :               0.00011271055788
                3p
                   -1 :               0.00019537914658
                   +0 :               0.00007960602925
                   +1 :              -0.00001265438145
                4p
                   -1 :              -0.00009207319526
                   +0 :              -0.00000687152529
                   +1 :               0.00003816575848
                3d
                   -2 :               0.00002892443624
                   -1 :              -0.00002349491199
                   +0 :               0.00000018200359
                   +1 :              -0.00004308016309
                   +2 :               0.00001278102568
             11 vec=   -15.560325      2.752623     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00000799493215
                2p
                   -1 :              -0.00005270710029
                   +0 :              -0.00000022258804
                   +1 :              -0.00002694247869
                3s
                   +0 :               0.00019972063175
                4s
                   +0 :              -0.00002065622447
                3p
                   -1 :               0.00021987249146
                   +0 :              -0.00011103484343
                   +1 :               0.00005158408065
                4p
                   -1 :              -0.00004388072412
                   +0 :               0.00002975916977
                   +1 :              -0.00002549718943
                3d
                   -2 :              -0.00001057738511
                   -1 :               0.00009015404061
                   +0 :               0.00001858557937
                   +1 :               0.00002681261737
                   +2 :              -0.00004738729569
             12 vec=    15.560325      2.752623     -2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00006411907025
                2p
                   -1 :              -0.00001322493548
                   +0 :              -0.00002398723126
                   +1 :               0.00006586942235
                3s
                   +0 :              -0.00007012558728
                4s
                   +0 :               0.00006977116119
                3p
                   -1 :               0.00007504810902
                   +0 :               0.00009022828688
                   +1 :              -0.00026134287660
                4p
                   -1 :              -0.00002680604746
                   +0 :              -0.00004537932325
                   +1 :               0.00008200431041
                3d
                   -2 :              -0.00003356685749
                   -1 :               0.00002553990344
                   +0 :               0.00005182172722
                   +1 :               0.00001834389359
                   +2 :              -0.00000732118811
             13 vec=   -15.560325     -6.231135     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00001814866457
                2p
                   -1 :               0.00001004644412
                   +0 :               0.00000652241642
                   +1 :              -0.00000303497590
                3s
                   +0 :              -0.00014113583289
                4s
                   +0 :               0.00007277800255
                3p
                   -1 :              -0.00003963049771
                   +0 :               0.00001574105765
                   +1 :               0.00007308108583
                4p
                   -1 :               0.00000252805121
                   +0 :              -0.00001666176570
                   +1 :              -0.00003430260557
                3d
                   -2 :              -0.00000877397562
                   -1 :              -0.00001313712450
                   +0 :              -0.00000319185769
                   +1 :              -0.00001180115949
                   +2 :              -0.00000625968700
             14 vec=    15.560325     -6.231135     -2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00000781113849
                2p
                   -1 :              -0.00000454844793
                   +0 :               0.00000425512554
                   +1 :              -0.00000136529913
                3s
                   +0 :               0.00001374835701
                4s
                   +0 :              -0.00001829038235
                3p
                   -1 :               0.00000725754258
                   +0 :              -0.00000276389402
                   +1 :              -0.00001271314369
                4p
                   -1 :              -0.00000278502500
                   +0 :               0.00001130522364
                   +1 :               0.00000571631488
                3d
                   -2 :               0.00000692388141
                   -1 :               0.00000915420303
                   +0 :               0.00001902809560
                   +1 :               0.00000724019778
                   +2 :              -0.00000182443006
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Cr(  3)  npairs=  13
              1 vec=     0.000000      2.752623      9.763049   |vec|=   10.143671
                3s
                   +0 :               0.00071647244142
                3p
                   -1 :               0.00053156515866
                   +0 :               0.00029321327558
                   +1 :               0.00018047774516
                4s
                   +0 :              -0.00093977366194
                5s
                   +0 :               0.00006948911392
                3d
                   -2 :               0.00075915830216
                   -1 :               0.00103594699994
                   +0 :              -0.00006946323970
                   +1 :               0.00018294586264
                   +2 :              -0.00137903672785
                4d
                   -2 :              -0.00054514584161
                   -1 :              -0.00015060932954
                   +0 :               0.00001542832795
                   +1 :              -0.00004721363627
                   +2 :               0.00064044362597
                4p
                   -1 :              -0.00013863652807
                   +0 :              -0.00032428800585
                   +1 :              -0.00028096500325
              2 vec=     0.000000     -6.231135      9.763049   |vec|=   11.582062
                3s
                   +0 :              -0.00018303871453
                3p
                   -1 :              -0.00002777193974
                   +0 :              -0.00000977060958
                   +1 :               0.00037076810302
                4s
                   +0 :               0.00069078187205
                5s
                   +0 :              -0.00012896558500
                3d
                   -2 :              -0.00038026333255
                   -1 :              -0.00004675646892
                   +0 :               0.00005563858321
                   +1 :               0.00018353936696
                   +2 :               0.00002875424439
                4d
                   -2 :               0.00045003618714
                   -1 :              -0.00013055771915
                   +0 :               0.00035192008931
                   +1 :              -0.00027311391142
                   +2 :               0.00000513941791
                4p
                   -1 :              -0.00006521264641
                   +0 :               0.00031635831240
                   +1 :              -0.00064903682611
              3 vec=    -7.780163     -1.739256      9.763049   |vec|=   12.604486
                3s
                   +0 :               0.00008990157741
                3p
                   -1 :               0.00006501036163
                   +0 :               0.00000320662787
                   +1 :               0.00003735852577
                4s
                   +0 :              -0.00078705621689
                5s
                   +0 :               0.00004319024809
                3d
                   -2 :              -0.00021983966076
                   -1 :               0.00001710044305
                   +0 :               0.00035756283602
                   +1 :               0.00008801655992
                   +2 :              -0.00040875467820
                4d
                   -2 :              -0.00028497900237
                   -1 :               0.00018334109446
                   +0 :              -0.00002323073592
                   +1 :               0.00040460590893
                   +2 :              -0.00026260644826
                4p
                   -1 :               0.00011388074658
                   +0 :              -0.00022457379960
                   +1 :               0.00059988648120
              4 vec=     7.780163     -1.739256      9.763049   |vec|=   12.604486
                3s
                   +0 :               0.00001992317614
                3p
                   -1 :               0.00001767395075
                   +0 :              -0.00007687115215
                   +1 :              -0.00008722338028
                4s
                   +0 :              -0.00069580184145
                5s
                   +0 :               0.00010994423666
                3d
                   -2 :               0.00071513393927
                   -1 :               0.00027566173257
                   +0 :               0.00042844163245
                   +1 :              -0.00014196265316
                   +2 :              -0.00011776264460
                4d
                   -2 :              -0.00011211959229
                   -1 :              -0.00003780385963
                   +0 :               0.00001876861177
                   +1 :              -0.00012516724441
                   +2 :              -0.00010211947614
                4p
                   -1 :               0.00027074326626
                   +0 :              -0.00003539874929
                   +1 :              -0.00041313661891
              5 vec=    -7.780163      7.244502      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00005571619695
                3p
                   -1 :              -0.00011781105855
                   +0 :              -0.00000461928408
                   +1 :              -0.00012064453024
                4s
                   +0 :               0.00001076900704
                5s
                   +0 :               0.00006827050208
                3d
                   -2 :              -0.00016728210877
                   -1 :               0.00002929599019
                   +0 :               0.00000242071275
                   +1 :              -0.00006604594372
                   +2 :               0.00001617681171
                4d
                   -2 :               0.00006265340430
                   -1 :               0.00015589585523
                   +0 :              -0.00005793115925
                   +1 :               0.00018546496688
                   +2 :              -0.00021939635278
                4p
                   -1 :               0.00027280784396
                   +0 :               0.00000814548649
                   +1 :               0.00026945328032
              6 vec=     7.780163      7.244502      9.763049   |vec|=   14.433671
                3s
                   +0 :               0.00028508730295
                3p
                   -1 :              -0.00008514424844
                   +0 :               0.00008458722185
                   +1 :               0.00011395094956
                4s
                   +0 :              -0.00046021974905
                5s
                   +0 :               0.00001300810545
                3d
                   -2 :              -0.00004460255136
                   -1 :              -0.00002298927145
                   +0 :              -0.00003709516710
                   +1 :              -0.00001728767774
                   +2 :              -0.00002028290853
                4d
                   -2 :               0.00023802097649
                   -1 :               0.00015162722761
                   +0 :               0.00001501166138
                   +1 :              -0.00006741077019
                   +2 :              -0.00002681750562
                4p
                   -1 :               0.00021849201163
                   +0 :              -0.00011115463054
                   +1 :              -0.00017363553419
              7 vec=     0.000000      2.752623    -14.784494   |vec|=   15.038557
                3s
                   +0 :              -0.00009709957588
                3p
                   -1 :               0.00005432855524
                   +0 :               0.00004118388238
                   +1 :               0.00003727455520
                4s
                   +0 :               0.00011026363005
                5s
                   +0 :              -0.00000211462077
                3d
                   -2 :               0.00005327535476
                   -1 :              -0.00003046430203
                   +0 :              -0.00001707744543
                   +1 :               0.00006611262139
                   +2 :               0.00004887510361
                4d
                   -2 :              -0.00010476170395
                   -1 :               0.00002455118905
                   +0 :              -0.00001965135020
                   +1 :              -0.00000481512647
                   +2 :               0.00004482320880
                4p
                   -1 :              -0.00009338057045
                   +0 :              -0.00001416154320
                   +1 :              -0.00006166890325
              8 vec=     0.000000     11.736381      9.763049   |vec|=   15.266295
                3s
                   +0 :              -0.00055553002183
                3p
                   -1 :              -0.00033692391042
                   +0 :              -0.00023295469807
                   +1 :              -0.00002834116479
                4s
                   +0 :               0.00114153617980
                5s
                   +0 :              -0.00010218664102
                3d
                   -2 :              -0.00015050444799
                   -1 :              -0.00067448994379
                   +0 :               0.00005050210745
                   +1 :              -0.00000371946478
                   +2 :               0.00052016198692
                4d
                   -2 :               0.00010454640683
                   -1 :               0.00051340922818
                   +0 :               0.00003857822666
                   +1 :               0.00000317681173
                   +2 :              -0.00030758807683
                4p
                   -1 :               0.00067200267037
                   +0 :               0.00045816669604
                   +1 :               0.00010785853104
              9 vec=     0.000000     -6.231135    -14.784494   |vec|=   16.043949
                3s
                   +0 :              -0.00011219193407
                3p
                   -1 :               0.00004767419280
                   +0 :               0.00005697172804
                   +1 :               0.00000925143539
                4s
                   +0 :               0.00028032685131
                5s
                   +0 :              -0.00003269243511
                3d
                   -2 :               0.00001130919325
                   -1 :              -0.00016892777973
                   +0 :              -0.00012015010135
                   +1 :              -0.00001201513663
                   +2 :               0.00008207133834
                4d
                   -2 :               0.00000716558286
                   -1 :               0.00002760294066
                   +0 :               0.00002948820265
                   +1 :               0.00000580353234
                   +2 :              -0.00002682759594
                4p
                   -1 :              -0.00002830655775
                   +0 :              -0.00011495872393
                   +1 :              -0.00001816875594
             10 vec=    -7.780163    -10.723014      9.763049   |vec|=   16.456946
                3s
                   +0 :              -0.00004574497087
                3p
                   -1 :               0.00001452509657
                   +0 :              -0.00001486290386
                   +1 :              -0.00002117521596
                4s
                   +0 :               0.00018967839434
                5s
                   +0 :              -0.00002330843975
                3d
                   -2 :               0.00016938451180
                   -1 :              -0.00010371525309
                   +0 :              -0.00005915585606
                   +1 :              -0.00021922890149
                   +2 :               0.00017922662311
                4d
                   -2 :               0.00002833738528
                   -1 :              -0.00002931814978
                   +0 :               0.00001005573168
                   +1 :              -0.00005398143109
                   +2 :               0.00004028497214
                4p
                   -1 :              -0.00005653255838
                   +0 :               0.00006055110818
                   +1 :              -0.00005894785570
             11 vec=     7.780163    -10.723014      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00012750855274
                3p
                   -1 :              -0.00005976356557
                   +0 :               0.00002458301345
                   +1 :               0.00013460753202
                4s
                   +0 :              -0.00017857349257
                5s
                   +0 :               0.00000693688567
                3d
                   -2 :              -0.00019975230297
                   -1 :              -0.00011934432584
                   +0 :              -0.00002978541584
                   +1 :               0.00023216027745
                   +2 :               0.00008495939914
                4d
                   -2 :               0.00003876597365
                   -1 :              -0.00000663157741
                   +0 :               0.00002270111154
                   +1 :              -0.00004063492632
                   +2 :              -0.00003433368695
                4p
                   -1 :               0.00008453499803
                   +0 :              -0.00001057732294
                   +1 :              -0.00019824207603
             12 vec=    -7.780163     -1.739256    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00003343611531
                3p
                   -1 :               0.00001502337030
                   +0 :              -0.00001178546528
                   +1 :              -0.00006377942449
                4s
                   +0 :               0.00010114136104
                5s
                   +0 :               0.00000337251746
                3d
                   -2 :              -0.00002371149981
                   -1 :              -0.00015729828997
                   +0 :               0.00012322185249
                   +1 :               0.00020303878143
                   +2 :               0.00020958933470
                4d
                   -2 :              -0.00002032314731
                   -1 :              -0.00002427008045
                   +0 :              -0.00003546035377
                   +1 :              -0.00001874451528
                   +2 :               0.00001030230212
                4p
                   -1 :               0.00000501904642
                   +0 :              -0.00003219291511
                   +1 :               0.00006203559067
             13 vec=     7.780163     -1.739256    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00006168348876
                3p
                   -1 :               0.00003505127366
                   +0 :              -0.00000576941468
                   +1 :               0.00002104388618
                4s
                   +0 :               0.00018800206836
                5s
                   +0 :              -0.00000883902068
                3d
                   -2 :              -0.00000623355575
                   -1 :              -0.00013616466698
                   +0 :               0.00011994544690
                   +1 :              -0.00009883724646
                   +2 :               0.00009422184009
                4d
                   -2 :               0.00002611198958
                   -1 :               0.00000385242375
                   +0 :              -0.00002431897283
                   +1 :              -0.00005722480535
                   +2 :               0.00006012200857
                4p
                   -1 :              -0.00004217327897
                   +0 :              -0.00006035754560
                   +1 :               0.00002556960605
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al(  4)  npairs=  14
              1 vec=     0.000000      2.752623      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.02277419133015
                2p
                   -1 :               0.02392807385829
                   +0 :               0.02156150300049
                   +1 :               0.00208181261987
                3s
                   +0 :               0.06854085838618
                4s
                   +0 :               0.00868365721883
                3p
                   -1 :               0.02835436540097
                   +0 :               0.06187619434148
                   +1 :              -0.01269476819057
                4p
                   -1 :               0.01257213165181
                   +0 :               0.00847221845117
                   +1 :               0.00478219480113
                3d
                   -2 :              -0.00151911020747
                   -1 :               0.04358405551068
                   +0 :               0.02329003370588
                   +1 :              -0.00029511587166
                   +2 :              -0.01608391124474
              2 vec=     0.000000     -6.231135      2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00217842076895
                2p
                   -1 :              -0.00194397424093
                   +0 :               0.00111119688010
                   +1 :              -0.00087920257490
                3s
                   +0 :              -0.00206221704640
                4s
                   +0 :               0.00473959121824
                3p
                   -1 :               0.00106694682153
                   +0 :              -0.00073648230725
                   +1 :               0.00559165179604
                4p
                   -1 :              -0.00299950081280
                   +0 :               0.00135524521393
                   +1 :              -0.00149785847023
                3d
                   -2 :              -0.00084352647075
                   -1 :               0.00042096062788
                   +0 :              -0.00038729661583
                   +1 :               0.00005078617649
                   +2 :              -0.00024668235696
              3 vec=    -7.780163     -1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00081198582647
                2p
                   -1 :              -0.00040020414113
                   +0 :               0.00033287781208
                   +1 :               0.00067524398783
                3s
                   +0 :               0.00240778925991
                4s
                   +0 :              -0.00068297691415
                3p
                   -1 :               0.00125569456046
                   +0 :              -0.00217664814721
                   +1 :              -0.00379435006190
                4p
                   -1 :               0.00016271307068
                   +0 :               0.00051872522616
                   +1 :               0.00084572394349
                3d
                   -2 :              -0.00046737082427
                   -1 :               0.00036250656370
                   +0 :              -0.00104078187826
                   +1 :              -0.00010708358037
                   +2 :               0.00122485566244
              4 vec=     7.780163     -1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00030222089901
                2p
                   -1 :              -0.00049836878739
                   +0 :               0.00002171425915
                   +1 :              -0.00002366827047
                3s
                   +0 :               0.00129157167765
                4s
                   +0 :              -0.00226984867635
                3p
                   -1 :               0.00355358956976
                   +0 :               0.00010056450314
                   +1 :               0.00358325242958
                4p
                   -1 :              -0.00096010789801
                   +0 :              -0.00058189429824
                   +1 :              -0.00236087156428
                3d
                   -2 :               0.00035307509118
                   -1 :               0.00039129610093
                   +0 :              -0.00050643716569
                   +1 :               0.00088042090166
                   +2 :               0.00074996110150
              5 vec=    -7.780163      7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00037854648770
                2p
                   -1 :               0.00012222423162
                   +0 :              -0.00012132700383
                   +1 :               0.00010276355034
                3s
                   +0 :              -0.00070324192044
                4s
                   +0 :              -0.00046239078689
                3p
                   -1 :              -0.00036475449161
                   +0 :               0.00051656813665
                   +1 :              -0.00111193058557
                4p
                   -1 :              -0.00019698477650
                   +0 :              -0.00031002877237
                   +1 :               0.00060133611703
                3d
                   -2 :              -0.00022963419777
                   -1 :              -0.00016558309890
                   +0 :              -0.00015442543707
                   +1 :              -0.00031056809903
                   +2 :               0.00019684687313
              6 vec=     7.780163      7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00027171559113
                2p
                   -1 :              -0.00005329985908
                   +0 :              -0.00005042776481
                   +1 :              -0.00003467964598
                3s
                   +0 :               0.00070479860913
                4s
                   +0 :              -0.00039635372867
                3p
                   -1 :              -0.00031710910475
                   +0 :               0.00004311074932
                   +1 :               0.00016128815520
                4p
                   -1 :               0.00003423274066
                   +0 :              -0.00000295383338
                   +1 :              -0.00011947295933
                3d
                   -2 :              -0.00003257392046
                   -1 :              -0.00006803172624
                   +0 :              -0.00025729982190
                   +1 :               0.00021291536308
                   +2 :              -0.00000220900262
              7 vec=     0.000000     11.736381      2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00028686098910
                2p
                   -1 :               0.00016668257490
                   +0 :               0.00018625234283
                   +1 :               0.00007037231036
                3s
                   +0 :              -0.00038560186019
                4s
                   +0 :               0.00042137057982
                3p
                   -1 :              -0.00043868046971
                   +0 :              -0.00010073694607
                   +1 :              -0.00018941544615
                4p
                   -1 :               0.00022748392942
                   +0 :               0.00016011981454
                   +1 :              -0.00003276576591
                3d
                   -2 :              -0.00041736219088
                   -1 :               0.00016825725542
                   +0 :               0.00008531935092
                   +1 :               0.00007428076890
                   +2 :              -0.00007839745157
              8 vec=    -7.780163    -10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00004021555351
                2p
                   -1 :               0.00006752609418
                   +0 :              -0.00000631229203
                   +1 :              -0.00007695371264
                3s
                   +0 :              -0.00124687094483
                4s
                   +0 :               0.00024160935307
                3p
                   -1 :              -0.00028477363187
                   +0 :              -0.00079877095406
                   +1 :               0.00110701942907
                4p
                   -1 :               0.00010457979790
                   +0 :               0.00001911211785
                   +1 :              -0.00023750125295
                3d
                   -2 :              -0.00010476001164
                   -1 :               0.00006723415649
                   +0 :              -0.00029598843374
                   +1 :               0.00028709090319
                   +2 :              -0.00023371539224
              9 vec=     7.780163    -10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00015642823792
                2p
                   -1 :              -0.00004967827121
                   +0 :              -0.00021742490462
                   +1 :              -0.00028109967385
                3s
                   +0 :              -0.00021270394885
                4s
                   +0 :              -0.00022231280061
                3p
                   -1 :               0.00044467213593
                   +0 :               0.00013790097407
                   +1 :               0.00095233047534
                4p
                   -1 :              -0.00008534968336
                   +0 :              -0.00013913029395
                   +1 :              -0.00039677884315
                3d
                   -2 :               0.00001690660896
                   -1 :              -0.00006673345871
                   +0 :              -0.00021816121202
                   +1 :              -0.00017726267631
                   +2 :               0.00020264482264
             10 vec=     0.000000    -15.214893      2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00003200031161
                2p
                   -1 :              -0.00002981633554
                   +0 :               0.00000391819880
                   +1 :               0.00000351552514
                3s
                   +0 :              -0.00027730486183
                4s
                   +0 :               0.00012236868540
                3p
                   -1 :               0.00023096261413
                   +0 :              -0.00005029705980
                   +1 :               0.00002788666665
                4p
                   -1 :              -0.00009704831222
                   +0 :               0.00000188165085
                   +1 :              -0.00004183532118
                3d
                   -2 :              -0.00003152082666
                   -1 :               0.00001430327447
                   +0 :               0.00000197765095
                   +1 :              -0.00004476598781
                   +2 :               0.00002076922869
             11 vec=   -15.560325      2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00005971198172
                2p
                   -1 :              -0.00001595472335
                   +0 :               0.00002406592577
                   +1 :              -0.00006468379327
                3s
                   +0 :              -0.00005442111447
                4s
                   +0 :               0.00006694536622
                3p
                   -1 :               0.00008566303872
                   +0 :              -0.00008459676326
                   +1 :               0.00025533322865
                4p
                   -1 :              -0.00002793853739
                   +0 :               0.00004372489353
                   +1 :              -0.00008225197349
                3d
                   -2 :               0.00003044120956
                   -1 :              -0.00002509177894
                   +0 :               0.00004916297975
                   +1 :               0.00001649183043
                   +2 :              -0.00000701587873
             12 vec=    15.560325      2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00002047154342
                2p
                   -1 :              -0.00005633871501
                   +0 :               0.00000209795325
                   +1 :               0.00002032593790
                3s
                   +0 :               0.00023073591085
                4s
                   +0 :              -0.00002724463244
                3p
                   -1 :               0.00023229993500
                   +0 :               0.00011151160883
                   +1 :              -0.00002379948885
                4p
                   -1 :              -0.00004602397189
                   +0 :              -0.00003251239360
                   +1 :               0.00002149827778
                3d
                   -2 :               0.00001314355197
                   -1 :              -0.00008785292479
                   +0 :               0.00001403501479
                   +1 :               0.00002485255589
                   +2 :              -0.00003996499027
             13 vec=   -15.560325     -6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00000531990594
                2p
                   -1 :              -0.00000415135960
                   +0 :              -0.00000496460929
                   +1 :               0.00000114208102
                3s
                   +0 :               0.00000897373919
                4s
                   +0 :              -0.00001801658182
                3p
                   -1 :               0.00000201870956
                   +0 :               0.00000317913405
                   +1 :               0.00001484774862
                4p
                   -1 :              -0.00000162264483
                   +0 :              -0.00001065224072
                   +1 :              -0.00000445108357
                3d
                   -2 :              -0.00000512478077
                   -1 :              -0.00000936930324
                   +0 :               0.00002018323910
                   +1 :               0.00000610979085
                   +2 :              -0.00000345157691
             14 vec=    15.560325     -6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00002543643702
                2p
                   -1 :               0.00000876132878
                   +0 :              -0.00000568350333
                   +1 :               0.00000606173284
                3s
                   +0 :              -0.00016426821868
                4s
                   +0 :               0.00007990506076
                3p
                   -1 :              -0.00003323401856
                   +0 :              -0.00002132860915
                   +1 :              -0.00009175437775
                4p
                   -1 :              -0.00000065861627
                   +0 :               0.00001825330665
                   +1 :               0.00003857354324
                3d
                   -2 :               0.00000685899373
                   -1 :               0.00001543934258
                   +0 :              -0.00000251078940
                   +1 :              -0.00001068807878
                   +2 :              -0.00001195223929
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al(  5)  npairs=  14
              1 vec=    -2.593388     -1.739256     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02404532545642
                2p
                   -1 :               0.00692504207017
                   +0 :               0.01572585885757
                   +1 :               0.02324111929452
                3s
                   +0 :              -0.06840725622866
                4s
                   +0 :              -0.00515247483079
                3p
                   -1 :               0.00283222211282
                   +0 :               0.02827640300345
                   +1 :               0.05284455111060
                4p
                   -1 :               0.00331729397649
                   +0 :               0.00719791610143
                   +1 :               0.01149233306472
                3d
                   -2 :              -0.01120193200103
                   -1 :              -0.00599696321963
                   +0 :              -0.00079294239994
                   +1 :              -0.03662496523471
                   +2 :              -0.03453251417988
              2 vec=     5.186775      2.752623     -1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00290430505932
                2p
                   -1 :              -0.00110142857109
                   +0 :               0.00005880767361
                   +1 :              -0.00289757258637
                3s
                   +0 :               0.00754625823565
                4s
                   +0 :              -0.00443295914036
                3p
                   -1 :               0.00372053380569
                   +0 :               0.00116075416620
                   +1 :               0.00888286156854
                4p
                   -1 :              -0.00084820204402
                   +0 :              -0.00030867435947
                   +1 :              -0.00382593786569
                3d
                   -2 :               0.00180223886179
                   -1 :              -0.00049292601362
                   +0 :              -0.00130275859691
                   +1 :              -0.00017194496643
                   +2 :              -0.00238146835631
              3 vec=    -2.593388      7.244502     -1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00011939124065
                2p
                   -1 :              -0.00050768419413
                   +0 :              -0.00012327440102
                   +1 :               0.00044122536373
                3s
                   +0 :               0.01282225558143
                4s
                   +0 :              -0.00016816402018
                3p
                   -1 :               0.00698838432420
                   +0 :              -0.00784256246566
                   +1 :               0.00393590546857
                4p
                   -1 :              -0.00014150417817
                   +0 :               0.00022878392724
                   +1 :               0.00018640523778
                3d
                   -2 :               0.00285810280463
                   -1 :              -0.00302101408369
                   +0 :               0.00106422549383
                   +1 :              -0.00087442195707
                   +2 :              -0.00163513742724
              4 vec=     5.186775     -6.231135     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00035697077787
                2p
                   -1 :               0.00089988719471
                   +0 :              -0.00006038963858
                   +1 :               0.00003614421057
                3s
                   +0 :              -0.00826557569690
                4s
                   +0 :               0.00087803426801
                3p
                   -1 :              -0.00653324029090
                   +0 :               0.00578695571424
                   +1 :              -0.00564359461139
                4p
                   -1 :               0.00112418108443
                   +0 :              -0.00054567054100
                   +1 :               0.00020276813729
                3d
                   -2 :              -0.00181415726515
                   -1 :               0.00069400947767
                   +0 :              -0.00095527860844
                   +1 :               0.00329471016064
                   +2 :              -0.00233625783502
              5 vec=   -10.373550      2.752623     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00009248558399
                2p
                   -1 :               0.00014436198474
                   +0 :               0.00019727858975
                   +1 :              -0.00013936596580
                3s
                   +0 :               0.00118677063328
                4s
                   +0 :              -0.00009643172515
                3p
                   -1 :              -0.00131696581179
                   +0 :              -0.00120473684821
                   +1 :              -0.00038741440380
                4p
                   -1 :               0.00006956709736
                   +0 :               0.00006903954621
                   +1 :              -0.00000325014267
                3d
                   -2 :               0.00030263650168
                   -1 :               0.00026375579938
                   +0 :               0.00000728331352
                   +1 :               0.00023968430715
                   +2 :              -0.00036172055256
              6 vec=    -2.593388    -10.723014     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00046331258209
                2p
                   -1 :              -0.00024225980926
                   +0 :              -0.00001622447486
                   +1 :               0.00019200294384
                3s
                   +0 :              -0.00345027846966
                4s
                   +0 :               0.00108310411002
                3p
                   -1 :               0.00269345522124
                   +0 :               0.00088799468554
                   +1 :              -0.00033019034259
                4p
                   -1 :              -0.00063402632671
                   +0 :              -0.00013949528198
                   +1 :               0.00028219904658
                3d
                   -2 :               0.00034905591365
                   -1 :              -0.00041711580074
                   +0 :               0.00009989219377
                   +1 :              -0.00023047605858
                   +2 :               0.00058703686429
              7 vec=   -10.373550     -6.231135     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00023383048942
                2p
                   -1 :              -0.00010699637977
                   +0 :              -0.00016838041634
                   +1 :              -0.00014449262746
                3s
                   +0 :              -0.00063077142909
                4s
                   +0 :               0.00007217139140
                3p
                   -1 :               0.00072261454396
                   +0 :               0.00080252696620
                   +1 :               0.00055080657550
                4p
                   -1 :              -0.00017057734412
                   +0 :              -0.00010803989227
                   +1 :              -0.00011840239662
                3d
                   -2 :              -0.00026978316750
                   -1 :              -0.00004579709889
                   +0 :               0.00011285624009
                   +1 :              -0.00012501891886
                   +2 :               0.00014499472028
              8 vec=     5.186775     11.736381     -1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00028366420456
                2p
                   -1 :               0.00020698575770
                   +0 :              -0.00014770387053
                   +1 :              -0.00005955874540
                3s
                   +0 :               0.00253052534346
                4s
                   +0 :              -0.00031472993655
                3p
                   -1 :               0.00021150630678
                   +0 :              -0.00085176390345
                   +1 :              -0.00066171524121
                4p
                   -1 :               0.00023392686645
                   +0 :               0.00002662516412
                   +1 :              -0.00005945697941
                3d
                   -2 :              -0.00054607429251
                   -1 :              -0.00052570689157
                   +0 :               0.00019836281747
                   +1 :               0.00042156124175
                   +2 :               0.00012625496854
              9 vec=    12.966938     -1.739256     -1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00025433703181
                2p
                   -1 :               0.00003482812637
                   +0 :              -0.00007057069301
                   +1 :               0.00002534059066
                3s
                   +0 :              -0.00117636073525
                4s
                   +0 :               0.00010272461134
                3p
                   -1 :               0.00007960085359
                   +0 :               0.00074737397192
                   +1 :              -0.00027321721260
                4p
                   -1 :               0.00006580539369
                   +0 :              -0.00016829175261
                   +1 :              -0.00008875843923
                3d
                   -2 :               0.00006544067169
                   -1 :              -0.00016803343780
                   +0 :              -0.00009810468050
                   +1 :               0.00031783097479
                   +2 :               0.00004763874438
             10 vec=    12.966938      7.244502     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00013727778432
                2p
                   -1 :              -0.00005277018176
                   +0 :              -0.00001558886128
                   +1 :              -0.00004376161334
                3s
                   +0 :               0.00081259387457
                4s
                   +0 :              -0.00028849110169
                3p
                   -1 :               0.00021618728280
                   +0 :              -0.00005002558083
                   +1 :               0.00050861213604
                4p
                   -1 :              -0.00010060506093
                   +0 :              -0.00001496366189
                   +1 :              -0.00014542336164
                3d
                   -2 :               0.00003353432989
                   -1 :               0.00005511871967
                   +0 :               0.00002398609010
                   +1 :              -0.00005523953075
                   +2 :               0.00002130837412
             11 vec=   -10.373550     11.736381     -1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00014010806843
                2p
                   -1 :              -0.00008902801702
                   +0 :               0.00004718571457
                   +1 :               0.00004404029375
                3s
                   +0 :               0.00045627938140
                4s
                   +0 :              -0.00018730766412
                3p
                   -1 :               0.00036683534187
                   +0 :              -0.00030726673190
                   +1 :              -0.00031263966899
                4p
                   -1 :              -0.00006939033538
                   +0 :               0.00008386876353
                   +1 :               0.00008449569495
                3d
                   -2 :              -0.00010847359629
                   -1 :              -0.00006447156588
                   +0 :              -0.00008730002473
                   +1 :               0.00008764506996
                   +2 :               0.00005774534075
             12 vec=     5.186775    -15.214893     -1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00006278229520
                2p
                   -1 :               0.00001949087602
                   +0 :               0.00001134743372
                   +1 :               0.00002998692266
                3s
                   +0 :              -0.00023822006432
                4s
                   +0 :              -0.00002214268505
                3p
                   -1 :              -0.00025481092229
                   +0 :               0.00000537010925
                   +1 :              -0.00019813796123
                4p
                   -1 :               0.00013134885946
                   +0 :               0.00001881530098
                   +1 :               0.00004778069117
                3d
                   -2 :               0.00007058336446
                   -1 :               0.00000360932981
                   +0 :               0.00001553898714
                   +1 :               0.00005096220087
                   +2 :              -0.00006266996330
             13 vec=    -2.593388     16.228260     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00007965772724
                2p
                   -1 :              -0.00002282366099
                   +0 :               0.00002316472587
                   +1 :              -0.00002178758405
                3s
                   +0 :               0.00039152441471
                4s
                   +0 :              -0.00006186681809
                3p
                   -1 :               0.00011905020306
                   +0 :              -0.00020544544093
                   +1 :               0.00010314014844
                4p
                   -1 :              -0.00000932864063
                   +0 :               0.00001550094547
                   +1 :              -0.00000895803310
                3d
                   -2 :               0.00001295746112
                   -1 :              -0.00008737285388
                   +0 :               0.00001912864879
                   +1 :              -0.00004783959888
                   +2 :              -0.00000590204786
             14 vec=    12.966938    -10.723014     -1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00000892916307
                2p
                   -1 :              -0.00001798980574
                   +0 :               0.00001471552876
                   +1 :              -0.00000308062540
                3s
                   +0 :              -0.00015195631249
                4s
                   +0 :               0.00007253248927
                3p
                   -1 :               0.00018887322748
                   +0 :              -0.00000582361715
                   +1 :              -0.00007382033666
                4p
                   -1 :              -0.00003855058710
                   +0 :               0.00001288081747
                   +1 :               0.00005128827966
                3d
                   -2 :               0.00003091147883
                   -1 :              -0.00003384837317
                   +0 :              -0.00000021885400
                   +1 :              -0.00001208024602
                   +2 :               0.00001581557269
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al(  6)  npairs=  14
              1 vec=    -2.593388     -1.739256      5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00111711225444
                2p
                   -1 :               0.00018453912654
                   +0 :               0.00056224453006
                   +1 :              -0.00061641488054
                3s
                   +0 :              -0.00243999254279
                4s
                   +0 :               0.00055183764681
                3p
                   -1 :              -0.00195748442290
                   +0 :              -0.00338686855314
                   +1 :               0.00199606743244
                4p
                   -1 :               0.00081551872838
                   +0 :               0.00160319092840
                   +1 :               0.00007596834730
                3d
                   -2 :              -0.00095418507400
                   -1 :               0.00172782803898
                   +0 :              -0.00157565390168
                   +1 :              -0.00027103792836
                   +2 :               0.00091775479582
              2 vec=     5.186775      2.752623      5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00025067818549
                2p
                   -1 :              -0.00056332651535
                   +0 :              -0.00077370931783
                   +1 :               0.00034961161840
                3s
                   +0 :               0.00201439076402
                4s
                   +0 :               0.00088054023160
                3p
                   -1 :               0.00464370099479
                   +0 :               0.00344116291323
                   +1 :              -0.00221440960769
                4p
                   -1 :              -0.00088006255348
                   +0 :              -0.00096088302470
                   +1 :               0.00107816537913
                3d
                   -2 :               0.00124913648620
                   -1 :               0.00107802258859
                   +0 :              -0.00039882500201
                   +1 :              -0.00008168627121
                   +2 :              -0.00105032947005
              3 vec=    -2.593388      7.244502      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00021302821090
                2p
                   -1 :              -0.00084520999989
                   +0 :               0.00034492024599
                   +1 :              -0.00041779581134
                3s
                   +0 :               0.00050784708680
                4s
                   +0 :              -0.00050357972373
                3p
                   -1 :               0.00516427973111
                   +0 :              -0.00076269970375
                   +1 :               0.00278460479909
                4p
                   -1 :              -0.00155499784348
                   +0 :               0.00014580828027
                   +1 :              -0.00069426759537
                3d
                   -2 :              -0.00033774686948
                   -1 :               0.00076779147952
                   +0 :               0.00028812812544
                   +1 :               0.00048713230256
                   +2 :              -0.00067009961905
              4 vec=     5.186775     -6.231135      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00202080503217
                2p
                   -1 :               0.00134824385539
                   +0 :              -0.00017949423723
                   +1 :               0.00017893906406
                3s
                   +0 :               0.00561847360131
                4s
                   +0 :              -0.00162578097042
                3p
                   -1 :              -0.00603481520289
                   +0 :              -0.00033652317852
                   +1 :              -0.00109017251277
                4p
                   -1 :               0.00135629490610
                   +0 :               0.00058916182746
                   +1 :               0.00006099133140
                3d
                   -2 :               0.00024381714590
                   -1 :              -0.00055919738015
                   +0 :              -0.00067061418561
                   +1 :              -0.00038828067426
                   +2 :              -0.00106641825897
              5 vec=   -10.373550      2.752623      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00004674468436
                2p
                   -1 :              -0.00002646504447
                   +0 :               0.00014095182517
                   +1 :              -0.00012535903227
                3s
                   +0 :              -0.00028564058611
                4s
                   +0 :               0.00031820073691
                3p
                   -1 :               0.00031188930139
                   +0 :              -0.00019296217736
                   +1 :               0.00098159378099
                4p
                   -1 :              -0.00008465136287
                   +0 :               0.00005715752428
                   +1 :              -0.00043785500924
                3d
                   -2 :              -0.00005866686407
                   -1 :               0.00010861366292
                   +0 :               0.00009042433411
                   +1 :               0.00007186837778
                   +2 :              -0.00017718080979
              6 vec=    -2.593388    -10.723014      5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00020292453937
                2p
                   -1 :               0.00019314580962
                   +0 :              -0.00007407348309
                   +1 :               0.00010716019852
                3s
                   +0 :               0.00018078511082
                4s
                   +0 :              -0.00024554004201
                3p
                   -1 :              -0.00026782735817
                   +0 :               0.00009879520130
                   +1 :              -0.00075031916190
                4p
                   -1 :               0.00016008139955
                   +0 :               0.00000090862524
                   +1 :               0.00018455469878
                3d
                   -2 :               0.00021894292692
                   -1 :              -0.00012321989524
                   +0 :               0.00007224858341
                   +1 :              -0.00016837370063
                   +2 :              -0.00002339950712
              7 vec=   -10.373550     -6.231135      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00017435976140
                2p
                   -1 :               0.00000777857886
                   +0 :              -0.00001571009783
                   +1 :               0.00001677686384
                3s
                   +0 :               0.00060656209753
                4s
                   +0 :              -0.00013542452772
                3p
                   -1 :              -0.00013523860168
                   +0 :              -0.00000147850910
                   +1 :              -0.00013178355231
                4p
                   -1 :               0.00002023192243
                   +0 :               0.00006637022310
                   +1 :               0.00003130300469
                3d
                   -2 :              -0.00002780138576
                   -1 :               0.00000445422705
                   +0 :              -0.00003521809260
                   +1 :              -0.00000374184797
                   +2 :              -0.00008318635087
              8 vec=     5.186775     11.736381      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00041977319022
                2p
                   -1 :               0.00012570421008
                   +0 :               0.00010108011361
                   +1 :               0.00015158013944
                3s
                   +0 :              -0.00085345861745
                4s
                   +0 :               0.00009737630000
                3p
                   -1 :              -0.00027408014476
                   +0 :              -0.00038360070801
                   +1 :              -0.00032732936965
                4p
                   -1 :              -0.00005135566993
                   +0 :               0.00011929733690
                   +1 :               0.00003305165221
                3d
                   -2 :              -0.00006901262882
                   -1 :              -0.00010170330795
                   +0 :               0.00001211714674
                   +1 :              -0.00017199530218
                   +2 :              -0.00000556078301
              9 vec=    12.966938     -1.739256      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00005425163688
                2p
                   -1 :               0.00004515497611
                   +0 :              -0.00002356714355
                   +1 :              -0.00000427154389
                3s
                   +0 :               0.00039731170806
                4s
                   +0 :              -0.00021855187384
                3p
                   -1 :              -0.00037881462577
                   +0 :               0.00003151841479
                   +1 :               0.00015986157503
                4p
                   -1 :               0.00011038180705
                   +0 :              -0.00004915197423
                   +1 :              -0.00011215675476
                3d
                   -2 :              -0.00002921523899
                   -1 :              -0.00003622455285
                   +0 :              -0.00004686944098
                   +1 :              -0.00004017859447
                   +2 :              -0.00009632951485
             10 vec=    12.966938      7.244502      5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00000696664203
                2p
                   -1 :               0.00003955395809
                   +0 :              -0.00003233910444
                   +1 :              -0.00000039300530
                3s
                   +0 :               0.00004432282537
                4s
                   +0 :               0.00003198671725
                3p
                   -1 :              -0.00018943654996
                   +0 :               0.00021515095594
                   +1 :               0.00004772993540
                4p
                   -1 :               0.00005539569503
                   +0 :              -0.00007114576823
                   +1 :               0.00000119788326
                3d
                   -2 :              -0.00001695053930
                   -1 :              -0.00001870468899
                   +0 :               0.00001120649045
                   +1 :               0.00003511909852
                   +2 :               0.00002259243634
             11 vec=   -10.373550     11.736381      5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00009808393542
                2p
                   -1 :               0.00005424266980
                   +0 :               0.00004564918398
                   +1 :              -0.00004992046406
                3s
                   +0 :              -0.00019902402356
                4s
                   +0 :               0.00005488050708
                3p
                   -1 :              -0.00019459034313
                   +0 :              -0.00019607391348
                   +1 :               0.00016731943209
                4p
                   -1 :               0.00003410203921
                   +0 :               0.00002424407412
                   +1 :              -0.00003826576833
                3d
                   -2 :               0.00006609653465
                   -1 :              -0.00006762391132
                   +0 :              -0.00001847191090
                   +1 :               0.00008636664449
                   +2 :              -0.00001519435606
             12 vec=     5.186775    -15.214893      5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00011160949412
                2p
                   -1 :               0.00008423125458
                   +0 :              -0.00003680761847
                   +1 :               0.00002976564415
                3s
                   +0 :               0.00030203957431
                4s
                   +0 :              -0.00013332927851
                3p
                   -1 :              -0.00040928690954
                   +0 :               0.00014630299369
                   +1 :              -0.00012604305159
                4p
                   -1 :               0.00011110624181
                   +0 :              -0.00003631524973
                   +1 :               0.00003073950124
                3d
                   -2 :               0.00001636660694
                   -1 :              -0.00009453169770
                   +0 :              -0.00001062942705
                   +1 :              -0.00002327596903
                   +2 :              -0.00006933930224
             13 vec=    -2.593388     16.228260      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00002564955140
                2p
                   -1 :              -0.00001705321181
                   +0 :              -0.00001056650513
                   +1 :               0.00002667114355
                3s
                   +0 :               0.00001071640003
                4s
                   +0 :              -0.00004241584867
                3p
                   -1 :               0.00014128598447
                   +0 :               0.00009369683124
                   +1 :              -0.00013646540629
                4p
                   -1 :              -0.00006803406809
                   +0 :              -0.00004185880158
                   +1 :               0.00003515323915
                3d
                   -2 :              -0.00001367848578
                   -1 :               0.00002660157773
                   +0 :               0.00001589496002
                   +1 :              -0.00000852618809
                   +2 :              -0.00001688133265
             14 vec=    12.966938    -10.723014      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000078449626
                2p
                   -1 :               0.00000246134064
                   +0 :               0.00001362738045
                   +1 :              -0.00000838640789
                3s
                   +0 :              -0.00001123696697
                4s
                   +0 :              -0.00000394328215
                3p
                   -1 :               0.00001566671984
                   +0 :              -0.00003443450694
                   +1 :               0.00005053805322
                4p
                   -1 :              -0.00001313266538
                   +0 :              -0.00001335346713
                   +1 :              -0.00002657131653
                3d
                   -2 :              -0.00004130956876
                   -1 :              -0.00002262540288
                   +0 :               0.00000498662255
                   +1 :              -0.00002961247333
                   +2 :              -0.00003987251038
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al(  7)  npairs=  13
              1 vec=    -2.593388     -1.739256     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00320557616749
                2p
                   -1 :              -0.00004354299528
                   +0 :              -0.00148277538035
                   +1 :              -0.00073058021845
                3s
                   +0 :              -0.01091916554429
                4s
                   +0 :               0.00419308733722
                3p
                   -1 :              -0.00492775000168
                   +0 :               0.00442719964387
                   +1 :               0.00590428068726
                4p
                   -1 :               0.00047867228054
                   +0 :              -0.00159119191930
                   +1 :              -0.00078861433720
                3d
                   -2 :               0.00073461990548
                   -1 :               0.00163612901464
                   +0 :               0.00039359196922
                   +1 :              -0.00062862928283
                   +2 :              -0.00043838702049
              2 vec=     5.186775      2.752623     -6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00036637734840
                2p
                   -1 :              -0.00045161537317
                   +0 :               0.00019159571585
                   +1 :               0.00062599226293
                3s
                   +0 :               0.00409381154338
                4s
                   +0 :               0.00097927022633
                3p
                   -1 :               0.00357685414296
                   +0 :              -0.00321555199912
                   +1 :              -0.00220399445295
                4p
                   -1 :              -0.00073904874957
                   +0 :              -0.00025913913140
                   +1 :               0.00192816917240
                3d
                   -2 :               0.00118540901954
                   -1 :              -0.00103570584594
                   +0 :               0.00032218706489
                   +1 :              -0.00042937807631
                   +2 :              -0.00121375934630
              3 vec=    -2.593388      7.244502     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00082276409107
                2p
                   -1 :              -0.00085585708430
                   +0 :              -0.00000113977813
                   +1 :               0.00006854932078
                3s
                   +0 :               0.00508800977769
                4s
                   +0 :              -0.00244305465608
                3p
                   -1 :               0.00576121541498
                   +0 :              -0.00109920024788
                   +1 :              -0.00019504909818
                4p
                   -1 :              -0.00188729458764
                   +0 :               0.00059665487620
                   +1 :               0.00041342538388
                3d
                   -2 :              -0.00044983348466
                   -1 :              -0.00073972710864
                   +0 :              -0.00020550572029
                   +1 :              -0.00024982938198
                   +2 :              -0.00084378806217
              4 vec=     5.186775     -6.231135     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00111312054502
                2p
                   -1 :              -0.00021343068830
                   +0 :              -0.00035873711371
                   +1 :               0.00005430925645
                3s
                   +0 :              -0.00447324986949
                4s
                   +0 :               0.00129137901330
                3p
                   -1 :               0.00098700666624
                   +0 :               0.00174307151157
                   +1 :              -0.00061762767441
                4p
                   -1 :              -0.00023585556210
                   +0 :              -0.00045791346405
                   +1 :              -0.00003436501943
                3d
                   -2 :               0.00006705860599
                   -1 :               0.00004844548947
                   +0 :              -0.00055506856714
                   +1 :               0.00013579772409
                   +2 :               0.00029317198698
              5 vec=   -10.373550      2.752623     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00042410434333
                2p
                   -1 :               0.00017981829012
                   +0 :              -0.00029129380491
                   +1 :              -0.00005617117153
                3s
                   +0 :              -0.00195018439796
                4s
                   +0 :               0.00079515158174
                3p
                   -1 :              -0.00111783853100
                   +0 :               0.00171330774563
                   +1 :               0.00048744906207
                4p
                   -1 :               0.00033280313345
                   +0 :              -0.00046214611001
                   +1 :              -0.00010409663219
                3d
                   -2 :               0.00011129411137
                   -1 :               0.00022039111114
                   +0 :              -0.00012325155236
                   +1 :              -0.00025909328073
                   +2 :               0.00003408752972
              6 vec=    -2.593388    -10.723014     -6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00025311626056
                2p
                   -1 :               0.00002535138180
                   +0 :              -0.00007780823751
                   +1 :              -0.00001387282002
                3s
                   +0 :              -0.00172443247283
                4s
                   +0 :               0.00026745849643
                3p
                   -1 :               0.00028851170251
                   +0 :               0.00104684024969
                   +1 :               0.00018419729614
                4p
                   -1 :               0.00013285756053
                   +0 :              -0.00018357457821
                   +1 :              -0.00015817903123
                3d
                   -2 :              -0.00012572511487
                   -1 :              -0.00026035670452
                   +0 :              -0.00012588497687
                   +1 :              -0.00002057634112
                   +2 :               0.00013133799468
              7 vec=   -10.373550     -6.231135     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00003405938361
                2p
                   -1 :              -0.00005361001478
                   +0 :               0.00004909899583
                   +1 :              -0.00004297424059
                3s
                   +0 :              -0.00055692942705
                4s
                   +0 :               0.00032961249161
                3p
                   -1 :               0.00036676271929
                   +0 :              -0.00013647132445
                   +1 :               0.00059752315170
                4p
                   -1 :              -0.00012785665484
                   +0 :              -0.00003429962503
                   +1 :              -0.00027159025499
                3d
                   -2 :              -0.00006770870443
                   -1 :               0.00012667423659
                   +0 :               0.00000999950335
                   +1 :              -0.00006105103124
                   +2 :              -0.00007029052518
              8 vec=     5.186775     11.736381     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00020679266495
                2p
                   -1 :              -0.00003509214088
                   +0 :               0.00016333355783
                   +1 :              -0.00005368869754
                3s
                   +0 :               0.00109349853178
                4s
                   +0 :              -0.00036908870371
                3p
                   -1 :               0.00037187583731
                   +0 :              -0.00089493487956
                   +1 :               0.00041575940030
                4p
                   -1 :              -0.00010515943842
                   +0 :               0.00018722264165
                   +1 :              -0.00014561962716
                3d
                   -2 :               0.00003520150312
                   -1 :              -0.00007020059913
                   +0 :               0.00005072154489
                   +1 :              -0.00008300175089
                   +2 :              -0.00003146912907
              9 vec=    12.966938     -1.739256     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00005066394248
                2p
                   -1 :               0.00002064133054
                   +0 :              -0.00000909676465
                   +1 :              -0.00000158888936
                3s
                   +0 :               0.00009154404536
                4s
                   +0 :              -0.00000154046232
                3p
                   -1 :              -0.00007760653769
                   +0 :               0.00009987484609
                   +1 :              -0.00002891041771
                4p
                   -1 :              -0.00001288085776
                   +0 :              -0.00004236770727
                   +1 :               0.00000470679574
                3d
                   -2 :               0.00005861239586
                   -1 :               0.00005046558935
                   +0 :              -0.00006940692817
                   +1 :              -0.00001246511656
                   +2 :              -0.00002926940393
             10 vec=    12.966938      7.244502     -6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00005724629155
                2p
                   -1 :              -0.00002179405662
                   +0 :               0.00005151361569
                   +1 :              -0.00001457619974
                3s
                   +0 :               0.00022758894798
                4s
                   +0 :              -0.00002258465033
                3p
                   -1 :               0.00008349596462
                   +0 :              -0.00024169279291
                   +1 :               0.00006205284207
                4p
                   -1 :               0.00000690530993
                   +0 :               0.00003416532831
                   +1 :               0.00000337291427
                3d
                   -2 :               0.00002098787668
                   -1 :              -0.00004114695944
                   +0 :               0.00000646988365
                   +1 :              -0.00004675515524
                   +2 :              -0.00003080860520
             11 vec=   -10.373550     11.736381     -6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00006534757418
                2p
                   -1 :              -0.00000649407311
                   +0 :               0.00001355423631
                   +1 :               0.00000373996382
                3s
                   +0 :               0.00042861573743
                4s
                   +0 :              -0.00008015082097
                3p
                   -1 :               0.00008450753226
                   +0 :              -0.00019530408215
                   +1 :              -0.00010493492326
                4p
                   -1 :              -0.00000376998256
                   +0 :               0.00003382994758
                   +1 :              -0.00001056615400
                3d
                   -2 :              -0.00006455509641
                   -1 :              -0.00004577148721
                   +0 :               0.00003618788339
                   +1 :               0.00003757203164
                   +2 :              -0.00002646605512
             12 vec=     5.186775    -15.214893     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00004542059598
                2p
                   -1 :               0.00001132634655
                   +0 :              -0.00001684307822
                   +1 :              -0.00002371192825
                3s
                   +0 :              -0.00031415503330
                4s
                   +0 :               0.00006206322636
                3p
                   -1 :               0.00000789390916
                   +0 :               0.00015955759083
                   +1 :               0.00012635221777
                4p
                   -1 :               0.00001685777031
                   +0 :              -0.00002711315379
                   +1 :              -0.00004385375781
                3d
                   -2 :              -0.00003012348183
                   -1 :              -0.00002986483868
                   +0 :              -0.00001360175520
                   +1 :              -0.00000756962108
                   +2 :               0.00002422124812
             13 vec=    -2.593388     16.228260     -6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00004307789177
                2p
                   -1 :              -0.00000529564421
                   +0 :              -0.00000658125975
                   +1 :              -0.00003087095899
                3s
                   +0 :               0.00023690030024
                4s
                   +0 :              -0.00008520625433
                3p
                   -1 :               0.00006674189286
                   +0 :               0.00000467377894
                   +1 :               0.00018925426262
                4p
                   -1 :              -0.00002323178246
                   +0 :               0.00000801574339
                   +1 :              -0.00006386329971
                3d
                   -2 :              -0.00000789903860
                   -1 :               0.00003295608456
                   +0 :               0.00002335413735
                   +1 :              -0.00001804821295
                   +2 :              -0.00001138963964
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al(  8)  npairs=  15
              1 vec=    -2.593388     -1.739256     10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00021382775532
                2p
                   -1 :               0.00015342059066
                   +0 :              -0.00004683400055
                   +1 :               0.00022275379640
                3s
                   +0 :               0.00043604696995
                4s
                   +0 :              -0.00005093067993
                3p
                   -1 :              -0.00117815408071
                   +0 :               0.00033580782882
                   +1 :              -0.00085870629920
                4p
                   -1 :               0.00023091955693
                   +0 :              -0.00016566845643
                   +1 :               0.00017116410041
                3d
                   -2 :              -0.00012370874097
                   -1 :              -0.00013788017135
                   +0 :              -0.00006205528173
                   +1 :              -0.00019065378820
                   +2 :               0.00004350193206
              2 vec=     5.186775      2.752623     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00042556737777
                2p
                   -1 :              -0.00008636081296
                   +0 :               0.00012222639530
                   +1 :               0.00027340240356
                3s
                   +0 :              -0.00087864160630
                4s
                   +0 :               0.00013223638664
                3p
                   -1 :               0.00071838147443
                   +0 :              -0.00038275690549
                   +1 :              -0.00138208626589
                4p
                   -1 :              -0.00006795533753
                   +0 :              -0.00003411880262
                   +1 :               0.00019862287586
                3d
                   -2 :              -0.00008426179035
                   -1 :               0.00022885267623
                   +0 :               0.00000214058881
                   +1 :              -0.00034829283134
                   +2 :              -0.00027233417628
              3 vec=    -2.593388      7.244502     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00031735306578
                2p
                   -1 :              -0.00013094345291
                   +0 :              -0.00014193197039
                   +1 :               0.00017010731148
                3s
                   +0 :               0.00131052851153
                4s
                   +0 :              -0.00025388339429
                3p
                   -1 :               0.00071938952175
                   +0 :               0.00077245814008
                   +1 :              -0.00098190874445
                4p
                   -1 :              -0.00006189485201
                   +0 :              -0.00011025561975
                   +1 :               0.00027334699447
                3d
                   -2 :              -0.00027188669570
                   -1 :               0.00020166084337
                   +0 :               0.00009284737289
                   +1 :              -0.00021649244077
                   +2 :               0.00011514179335
              4 vec=     5.186775     -6.231135     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00010938146457
                2p
                   -1 :              -0.00002745644246
                   +0 :              -0.00011252185673
                   +1 :               0.00000875606369
                3s
                   +0 :              -0.00114210963576
                4s
                   +0 :               0.00015142085627
                3p
                   -1 :               0.00086350041858
                   +0 :              -0.00057919064929
                   +1 :              -0.00089449052061
                4p
                   -1 :              -0.00021386005770
                   +0 :               0.00004461965129
                   +1 :               0.00005259203473
                3d
                   -2 :               0.00031802541055
                   -1 :               0.00010939306433
                   +0 :              -0.00010504071629
                   +1 :              -0.00033033891463
                   +2 :              -0.00006307102888
              5 vec=    -2.593388     -1.739256    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00011850346662
                2p
                   -1 :               0.00004803937583
                   +0 :               0.00004433298338
                   +1 :              -0.00000373346005
                3s
                   +0 :               0.00029395978833
                4s
                   +0 :              -0.00006030211281
                3p
                   -1 :              -0.00015325919963
                   +0 :              -0.00021392162227
                   +1 :               0.00006294216002
                4p
                   -1 :               0.00000501697280
                   +0 :               0.00004088683183
                   +1 :              -0.00005227759436
                3d
                   -2 :               0.00001723132310
                   -1 :              -0.00002232358780
                   +0 :               0.00000450644979
                   +1 :              -0.00000474100559
                   +2 :               0.00000179138845
              6 vec=     5.186775      2.752623    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00001521837437
                2p
                   -1 :               0.00001536205464
                   +0 :               0.00004217258796
                   +1 :               0.00007006083621
                3s
                   +0 :              -0.00005456311277
                4s
                   +0 :              -0.00002630220544
                3p
                   -1 :              -0.00011028780669
                   +0 :              -0.00021954578808
                   +1 :              -0.00039740230438
                4p
                   -1 :               0.00001010872605
                   +0 :               0.00007520473050
                   +1 :               0.00005325705408
                3d
                   -2 :              -0.00004147806312
                   -1 :              -0.00000196670727
                   +0 :               0.00003718058264
                   +1 :              -0.00002365773292
                   +2 :              -0.00001513198787
              7 vec=   -10.373550      2.752623     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00004050441937
                2p
                   -1 :              -0.00006567355902
                   +0 :              -0.00004228270587
                   +1 :               0.00001240211571
                3s
                   +0 :               0.00038535045100
                4s
                   +0 :              -0.00011126814460
                3p
                   -1 :               0.00025630061739
                   +0 :               0.00037151950944
                   +1 :              -0.00022816589165
                4p
                   -1 :              -0.00008167014465
                   +0 :              -0.00008166199875
                   +1 :               0.00004939531402
                3d
                   -2 :              -0.00001007773024
                   -1 :               0.00004192517642
                   +0 :               0.00009366311361
                   +1 :              -0.00006245084722
                   +2 :               0.00009959395401
              8 vec=    -2.593388    -10.723014     10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00002530005698
                2p
                   -1 :               0.00000511332493
                   +0 :              -0.00002053742337
                   +1 :              -0.00003599319203
                3s
                   +0 :              -0.00024935774376
                4s
                   +0 :               0.00003520248730
                3p
                   -1 :              -0.00004648305555
                   +0 :               0.00006440537405
                   +1 :               0.00031042135126
                4p
                   -1 :               0.00003210918521
                   +0 :              -0.00002889779366
                   +1 :              -0.00005251437037
                3d
                   -2 :              -0.00005312163349
                   -1 :              -0.00002630841696
                   +0 :               0.00000444294723
                   +1 :               0.00002391586796
                   +2 :              -0.00005806344471
              9 vec=    -2.593388      7.244502    -13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00007951687701
                2p
                   -1 :               0.00002024368141
                   +0 :              -0.00002748680840
                   +1 :              -0.00001754230167
                3s
                   +0 :              -0.00015109390223
                4s
                   +0 :               0.00003146056918
                3p
                   -1 :              -0.00002518915808
                   +0 :               0.00009922454925
                   +1 :               0.00002373100476
                4p
                   -1 :              -0.00001673616296
                   +0 :              -0.00000711058257
                   +1 :              -0.00002287700934
                3d
                   -2 :              -0.00000895933202
                   -1 :              -0.00002081554041
                   +0 :               0.00000033826653
                   +1 :               0.00002388734420
                   +2 :               0.00005797547276
             10 vec=     5.186775     -6.231135    -13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00002057842845
                2p
                   -1 :              -0.00001010392639
                   +0 :               0.00000115492468
                   +1 :               0.00001439381844
                3s
                   +0 :               0.00002780672843
                4s
                   +0 :               0.00005594960052
                3p
                   -1 :              -0.00011922273611
                   +0 :              -0.00002831614051
                   +1 :              -0.00008752401065
                4p
                   -1 :               0.00001733521474
                   +0 :              -0.00000788141909
                   +1 :               0.00001546813182
                3d
                   -2 :               0.00002298200534
                   -1 :               0.00002430572771
                   +0 :              -0.00003213019514
                   +1 :               0.00001403412522
                   +2 :               0.00000680103544
             11 vec=   -10.373550     -6.231135     10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00010089226236
                2p
                   -1 :               0.00005214220018
                   +0 :              -0.00005222420309
                   +1 :               0.00004328433141
                3s
                   +0 :               0.00028068496356
                4s
                   +0 :              -0.00007268749019
                3p
                   -1 :              -0.00020808758110
                   +0 :               0.00024684289696
                   +1 :              -0.00018821289518
                4p
                   -1 :               0.00004485509365
                   +0 :              -0.00005018947635
                   +1 :               0.00003126214270
                3d
                   -2 :               0.00002108816412
                   -1 :              -0.00001654185333
                   +0 :              -0.00002604763666
                   +1 :              -0.00001982909987
                   +2 :              -0.00002099098081
             12 vec=     5.186775     11.736381     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00002548021106
                2p
                   -1 :               0.00001016455511
                   +0 :               0.00006719533095
                   +1 :               0.00002721703432
                3s
                   +0 :               0.00000626852963
                4s
                   +0 :               0.00008427757669
                3p
                   -1 :              -0.00001227672082
                   +0 :              -0.00033707326018
                   +1 :              -0.00011743447814
                4p
                   -1 :               0.00003895711722
                   +0 :               0.00011993942123
                   +1 :               0.00002611224645
                3d
                   -2 :              -0.00007413746087
                   -1 :              -0.00002635210108
                   +0 :              -0.00012157062254
                   +1 :              -0.00003206222068
                   +2 :              -0.00005999629880
             13 vec=    12.966938     -1.739256     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00003265455566
                2p
                   -1 :               0.00000364571729
                   +0 :              -0.00002298922954
                   +1 :              -0.00003846319025
                3s
                   +0 :               0.00002870160168
                4s
                   +0 :               0.00002111029764
                3p
                   -1 :               0.00001057677113
                   +0 :               0.00011388911217
                   +1 :               0.00012157203722
                4p
                   -1 :              -0.00002644246475
                   +0 :              -0.00002126606861
                   +1 :              -0.00001726132683
                3d
                   -2 :               0.00000338545428
                   -1 :              -0.00003622853183
                   +0 :              -0.00001642598105
                   +1 :               0.00002069888072
                   +2 :               0.00002115217109
             14 vec=   -10.373550      2.752623    -13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00005097430062
                2p
                   -1 :               0.00002237549794
                   +0 :               0.00000391085264
                   +1 :              -0.00002412141408
                3s
                   +0 :              -0.00001005060929
                4s
                   +0 :               0.00002175223643
                3p
                   -1 :              -0.00004589613214
                   +0 :              -0.00007115710993
                   +1 :               0.00000663118107
                4p
                   -1 :               0.00002986623064
                   +0 :               0.00003973070793
                   +1 :              -0.00001421336474
                3d
                   -2 :              -0.00000520802961
                   -1 :              -0.00000868978571
                   +0 :               0.00000632487406
                   +1 :               0.00000932018084
                   +2 :               0.00003563546543
             15 vec=    -2.593388    -10.723014    -13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00002299269107
                2p
                   -1 :               0.00002425381995
                   +0 :               0.00002047906218
                   +1 :               0.00000088922673
                3s
                   +0 :              -0.00007955021859
                4s
                   +0 :              -0.00000220643297
                3p
                   -1 :              -0.00000625625154
                   +0 :              -0.00008800163424
                   +1 :               0.00002333172058
                4p
                   -1 :               0.00001451350930
                   +0 :               0.00001460653422
                   +1 :               0.00001185475768
                3d
                   -2 :              -0.00002154630871
                   -1 :               0.00001863625789
                   +0 :               0.00003119354432
                   +1 :              -0.00001592785316
                   +2 :               0.00000462898356
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al(  9)  npairs=  13
              1 vec=     2.593388     -1.739256      6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00322132994000
                2p
                   -1 :              -0.00003505914603
                   +0 :               0.00146784546049
                   +1 :               0.00077319150849
                3s
                   +0 :              -0.01099667621578
                4s
                   +0 :               0.00426137626765
                3p
                   -1 :              -0.00478745771930
                   +0 :              -0.00434850709816
                   +1 :              -0.00605015595243
                4p
                   -1 :               0.00049972848551
                   +0 :               0.00154773695287
                   +1 :               0.00091938124529
                3d
                   -2 :              -0.00074016514150
                   -1 :              -0.00161751667107
                   +0 :               0.00039486601204
                   +1 :              -0.00063178132008
                   +2 :              -0.00049201822263
              2 vec=    -5.186775      2.752623      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00039542893676
                2p
                   -1 :              -0.00042530026804
                   +0 :              -0.00020451484156
                   +1 :              -0.00064607494059
                3s
                   +0 :               0.00401672643787
                4s
                   +0 :               0.00094180940211
                3p
                   -1 :               0.00342904316002
                   +0 :               0.00328538107668
                   +1 :               0.00243780697894
                4p
                   -1 :              -0.00071878207534
                   +0 :               0.00025029225415
                   +1 :              -0.00194944013704
                3d
                   -2 :              -0.00104320915646
                   -1 :               0.00099925895012
                   +0 :               0.00033058266503
                   +1 :              -0.00048297450191
                   +2 :              -0.00119172254657
              3 vec=     2.593388      7.244502      6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00078450600347
                2p
                   -1 :              -0.00088774451185
                   +0 :              -0.00000144997459
                   +1 :              -0.00010780597667
                3s
                   +0 :               0.00483580657467
                4s
                   +0 :              -0.00241067441992
                3p
                   -1 :               0.00592026603123
                   +0 :               0.00119578846934
                   +1 :               0.00040181583259
                4p
                   -1 :              -0.00195316322192
                   +0 :              -0.00061391609746
                   +1 :              -0.00045010737937
                3d
                   -2 :               0.00049907636236
                   -1 :               0.00071682655651
                   +0 :              -0.00019511448671
                   +1 :              -0.00026044262876
                   +2 :              -0.00083824042442
              4 vec=    -5.186775     -6.231135      6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00115737559307
                2p
                   -1 :              -0.00027066138740
                   +0 :               0.00033079365493
                   +1 :              -0.00005978062345
                3s
                   +0 :              -0.00459041113112
                4s
                   +0 :               0.00135854721249
                3p
                   -1 :               0.00130424863103
                   +0 :              -0.00163015803212
                   +1 :               0.00061124694804
                4p
                   -1 :              -0.00027348890705
                   +0 :               0.00041370741912
                   +1 :               0.00000919515355
                3d
                   -2 :              -0.00008763703591
                   -1 :              -0.00011954062857
                   +0 :              -0.00054952178610
                   +1 :               0.00017893503907
                   +2 :               0.00038341195426
              5 vec=    10.373550      2.752623      6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00047425423847
                2p
                   -1 :               0.00019665691504
                   +0 :               0.00029760799787
                   +1 :               0.00005186745503
                3s
                   +0 :              -0.00209327914181
                4s
                   +0 :               0.00078732502677
                3p
                   -1 :              -0.00117317752977
                   +0 :              -0.00176050291600
                   +1 :              -0.00045671823421
                4p
                   -1 :               0.00032229777467
                   +0 :               0.00049593299712
                   +1 :               0.00009491689427
                3d
                   -2 :              -0.00010075943266
                   -1 :              -0.00023199036220
                   +0 :              -0.00011057773761
                   +1 :              -0.00026091852736
                   +2 :               0.00008663132459
              6 vec=     2.593388    -10.723014      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00023948300991
                2p
                   -1 :               0.00004742999777
                   +0 :               0.00006589034346
                   +1 :               0.00001861021176
                3s
                   +0 :              -0.00166472241670
                4s
                   +0 :               0.00030216709802
                3p
                   -1 :               0.00018356228085
                   +0 :              -0.00099276502098
                   +1 :              -0.00025952496765
                4p
                   -1 :               0.00012169709244
                   +0 :               0.00014862065651
                   +1 :               0.00018884708658
                3d
                   -2 :               0.00007276563409
                   -1 :               0.00028762990692
                   +0 :              -0.00012890075137
                   +1 :              -0.00000350183606
                   +2 :               0.00010419320434
              7 vec=    10.373550     -6.231135      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00002135296019
                2p
                   -1 :              -0.00007184997527
                   +0 :              -0.00003759483790
                   +1 :               0.00003212900947
                3s
                   +0 :              -0.00047362640924
                4s
                   +0 :               0.00032261049801
                3p
                   -1 :               0.00048509568077
                   +0 :               0.00005164692477
                   +1 :              -0.00049123008841
                4p
                   -1 :              -0.00016523567226
                   +0 :               0.00004750528699
                   +1 :               0.00024245246964
                3d
                   -2 :               0.00009201725590
                   -1 :              -0.00013766589126
                   +0 :               0.00001769882827
                   +1 :              -0.00010276152165
                   +2 :              -0.00003943572062
              8 vec=    -5.186775     11.736381      6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00022072624241
                2p
                   -1 :              -0.00005555110842
                   +0 :              -0.00015779221252
                   +1 :               0.00005944844523
                3s
                   +0 :               0.00109088772832
                4s
                   +0 :              -0.00036900230200
                3p
                   -1 :               0.00044638171139
                   +0 :               0.00090572652249
                   +1 :              -0.00040849283451
                4p
                   -1 :              -0.00012636188847
                   +0 :              -0.00019584997334
                   +1 :               0.00011597244247
                3d
                   -2 :              -0.00003813542059
                   -1 :               0.00007539325029
                   +0 :               0.00004658482931
                   +1 :              -0.00006495454207
                   +2 :              -0.00002355242532
              9 vec=   -12.966938     -1.739256      6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00003487033396
                2p
                   -1 :               0.00001157999974
                   +0 :               0.00000550533485
                   +1 :              -0.00000986785634
                3s
                   +0 :               0.00011006891169
                4s
                   +0 :               0.00001413184000
                3p
                   -1 :              -0.00008495252170
                   +0 :              -0.00011250115679
                   +1 :               0.00007753025765
                4p
                   -1 :              -0.00000990581175
                   +0 :               0.00003730170555
                   +1 :              -0.00002379350433
                3d
                   -2 :              -0.00005508997097
                   -1 :              -0.00003705301254
                   +0 :              -0.00006120389025
                   +1 :              -0.00001036994861
                   +2 :              -0.00002950109234
             10 vec=   -12.966938      7.244502      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00004989742675
                2p
                   -1 :              -0.00002621502336
                   +0 :              -0.00004398951393
                   +1 :               0.00001259993571
                3s
                   +0 :               0.00020325412384
                4s
                   +0 :              -0.00000830686956
                3p
                   -1 :               0.00008164358914
                   +0 :               0.00020797140689
                   +1 :              -0.00004344215930
                4p
                   -1 :               0.00001449435730
                   +0 :              -0.00002876835266
                   +1 :              -0.00001577262800
                3d
                   -2 :              -0.00002078900742
                   -1 :               0.00004421786308
                   +0 :               0.00001999757519
                   +1 :              -0.00003706961859
                   +2 :              -0.00001946903164
             11 vec=    10.373550     11.736381      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00006975423214
                2p
                   -1 :              -0.00000488885189
                   +0 :              -0.00001640088604
                   +1 :               0.00000366462379
                3s
                   +0 :               0.00043296819675
                4s
                   +0 :              -0.00009418789487
                3p
                   -1 :               0.00007555419219
                   +0 :               0.00021123078770
                   +1 :               0.00007009239077
                4p
                   -1 :              -0.00000574197394
                   +0 :              -0.00003215037306
                   +1 :               0.00000737292909
                3d
                   -2 :               0.00004196354622
                   -1 :               0.00005857597423
                   +0 :               0.00003040417462
                   +1 :               0.00004643345900
                   +2 :              -0.00002598089145
             12 vec=    -5.186775    -15.214893      6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00004523523499
                2p
                   -1 :               0.00000970365493
                   +0 :               0.00001388191361
                   +1 :               0.00002369365898
                3s
                   +0 :              -0.00030142691354
                4s
                   +0 :               0.00006139459070
                3p
                   -1 :               0.00000582049423
                   +0 :              -0.00014274129063
                   +1 :              -0.00014000837384
                4p
                   -1 :               0.00001404965559
                   +0 :               0.00001926572623
                   +1 :               0.00004883760098
                3d
                   -2 :               0.00001869553187
                   -1 :               0.00002673142258
                   +0 :              -0.00001440032519
                   +1 :              -0.00000979711283
                   +2 :               0.00002238521395
             13 vec=     2.593388     16.228260      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00005619385808
                2p
                   -1 :              -0.00001257434850
                   +0 :               0.00000073894302
                   +1 :               0.00003135752246
                3s
                   +0 :               0.00027704248355
                4s
                   +0 :              -0.00009263597557
                3p
                   -1 :               0.00011046111305
                   +0 :               0.00002299435126
                   +1 :              -0.00019243310836
                4p
                   -1 :              -0.00003400473263
                   +0 :              -0.00001414353649
                   +1 :               0.00005365078444
                3d
                   -2 :              -0.00000671689536
                   -1 :              -0.00001948986813
                   +0 :               0.00001221736650
                   +1 :              -0.00001911007302
                   +2 :              -0.00001836313716
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al( 10)  npairs=  15
              1 vec=     2.593388     -1.739256    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00023285409667
                2p
                   -1 :               0.00011500697432
                   +0 :               0.00011409361105
                   +1 :              -0.00021387900873
                3s
                   +0 :               0.00057216323234
                4s
                   +0 :              -0.00018511183158
                3p
                   -1 :              -0.00103257874283
                   +0 :              -0.00070523667292
                   +1 :               0.00093444988697
                4p
                   -1 :               0.00017416324513
                   +0 :               0.00029395704422
                   +1 :              -0.00023828864493
                3d
                   -2 :               0.00015268892138
                   -1 :               0.00012289769914
                   +0 :               0.00000356955865
                   +1 :              -0.00022821067454
                   +2 :               0.00004076867667
              2 vec=    -5.186775      2.752623    -10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00039582785183
                2p
                   -1 :              -0.00007330815092
                   +0 :              -0.00014254820905
                   +1 :              -0.00025190086884
                3s
                   +0 :              -0.00085331853498
                4s
                   +0 :               0.00008073951321
                3p
                   -1 :               0.00054248730620
                   +0 :               0.00047305442236
                   +1 :               0.00115372155621
                4p
                   -1 :              -0.00000898306384
                   +0 :               0.00000711648679
                   +1 :              -0.00013066125561
                3d
                   -2 :               0.00004774216941
                   -1 :              -0.00019252712171
                   +0 :              -0.00002587974402
                   +1 :              -0.00031450214584
                   +2 :              -0.00024320149321
              3 vec=     2.593388      7.244502    -10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00033263515692
                2p
                   -1 :              -0.00010516804260
                   +0 :               0.00012455407737
                   +1 :              -0.00018707529706
                3s
                   +0 :               0.00127304527726
                4s
                   +0 :              -0.00023435979838
                3p
                   -1 :               0.00051398705277
                   +0 :              -0.00075628103661
                   +1 :               0.00110077409096
                4p
                   -1 :               0.00002936819293
                   +0 :               0.00008938114944
                   +1 :              -0.00032968891365
                3d
                   -2 :               0.00020377838482
                   -1 :              -0.00016118055833
                   +0 :               0.00010147560234
                   +1 :              -0.00022235977237
                   +2 :               0.00002751184468
              4 vec=    -5.186775     -6.231135    -10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00013163371095
                2p
                   -1 :              -0.00002021659292
                   +0 :               0.00013506967185
                   +1 :               0.00003519824023
                3s
                   +0 :              -0.00109069587973
                4s
                   +0 :               0.00016819045374
                3p
                   -1 :               0.00083188485080
                   +0 :               0.00054771414796
                   +1 :               0.00066793828660
                4p
                   -1 :              -0.00021658640932
                   +0 :              -0.00002793566654
                   +1 :               0.00002459787821
                3d
                   -2 :              -0.00029338478175
                   -1 :              -0.00011288761009
                   +0 :              -0.00010457212122
                   +1 :              -0.00030889416002
                   +2 :              -0.00006600423052
              5 vec=     2.593388     -1.739256     13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00009911338668
                2p
                   -1 :               0.00005645118479
                   +0 :              -0.00004388677752
                   +1 :              -0.00002830307186
                3s
                   +0 :               0.00022881803715
                4s
                   +0 :              -0.00003956199434
                3p
                   -1 :              -0.00016187446476
                   +0 :               0.00022940884878
                   +1 :               0.00010078630412
                4p
                   -1 :               0.00003820271958
                   +0 :              -0.00004308645028
                   +1 :               0.00000667187091
                3d
                   -2 :              -0.00004801506233
                   -1 :              -0.00001697885486
                   +0 :               0.00002446833018
                   +1 :               0.00004930906907
                   +2 :               0.00000683723861
              6 vec=    -5.186775      2.752623     13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00004675754106
                2p
                   -1 :               0.00001652824677
                   +0 :              -0.00002426173112
                   +1 :              -0.00007027087310
                3s
                   +0 :              -0.00015617781518
                4s
                   +0 :               0.00001798288815
                3p
                   -1 :              -0.00012380741450
                   +0 :               0.00013127228924
                   +1 :               0.00050987626370
                4p
                   -1 :              -0.00000453468942
                   +0 :              -0.00003625663261
                   +1 :              -0.00009188053931
                3d
                   -2 :               0.00005513515374
                   -1 :               0.00000860507359
                   +0 :               0.00004774642932
                   +1 :               0.00000274084518
                   +2 :              -0.00005308271481
              7 vec=    10.373550      2.752623    -10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00006276802837
                2p
                   -1 :              -0.00006270574792
                   +0 :               0.00003057812012
                   +1 :              -0.00002342044393
                3s
                   +0 :               0.00053724210457
                4s
                   +0 :              -0.00019126097171
                3p
                   -1 :               0.00027673508309
                   +0 :              -0.00033052612324
                   +1 :               0.00031858385404
                4p
                   -1 :              -0.00010681940170
                   +0 :               0.00007709490435
                   +1 :              -0.00008649548995
                3d
                   -2 :               0.00002333015817
                   -1 :              -0.00002577245462
                   +0 :               0.00007395421864
                   +1 :              -0.00007527233673
                   +2 :               0.00007343694939
              8 vec=     2.593388    -10.723014    -10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00003670490729
                2p
                   -1 :               0.00002065370400
                   +0 :               0.00005135233606
                   +1 :               0.00000518289533
                3s
                   +0 :              -0.00002268710782
                4s
                   +0 :              -0.00004326278904
                3p
                   -1 :              -0.00008278943078
                   +0 :              -0.00021606291896
                   +1 :              -0.00017716672644
                4p
                   -1 :               0.00002735323416
                   +0 :               0.00007934360445
                   +1 :               0.00003228316124
                3d
                   -2 :               0.00003793439765
                   -1 :               0.00003377055777
                   +0 :              -0.00000804256230
                   +1 :               0.00003290944107
                   +2 :              -0.00003872825310
              9 vec=     2.593388      7.244502     13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00002168065565
                2p
                   -1 :               0.00000787555820
                   +0 :               0.00000819689023
                   +1 :               0.00001428870696
                3s
                   +0 :               0.00020035080386
                4s
                   +0 :              -0.00005247287056
                3p
                   -1 :               0.00007289653780
                   +0 :               0.00003263307979
                   +1 :               0.00008532247567
                4p
                   -1 :              -0.00006687963990
                   +0 :              -0.00004476672227
                   +1 :               0.00000937230440
                3d
                   -2 :               0.00006016108604
                   -1 :               0.00001665047314
                   +0 :              -0.00003400575279
                   +1 :               0.00003298618395
                   +2 :               0.00004904176911
             10 vec=    -5.186775     -6.231135     13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00002926130499
                2p
                   -1 :              -0.00003312269938
                   +0 :              -0.00000478007688
                   +1 :               0.00001433485612
                3s
                   +0 :               0.00015012222806
                4s
                   +0 :               0.00000035742783
                3p
                   -1 :               0.00001755168136
                   +0 :              -0.00001420661999
                   +1 :              -0.00008000714934
                4p
                   -1 :              -0.00001189039026
                   +0 :               0.00002655427642
                   +1 :               0.00001007084222
                3d
                   -2 :              -0.00003304816031
                   -1 :               0.00002034577290
                   +0 :              -0.00005511495704
                   +1 :              -0.00000390595087
                   +2 :               0.00000375454671
             11 vec=    10.373550     -6.231135    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00012331618160
                2p
                   -1 :               0.00005024462258
                   +0 :               0.00003060839520
                   +1 :              -0.00003878172390
                3s
                   +0 :               0.00036515946009
                4s
                   +0 :              -0.00010933001496
                3p
                   -1 :              -0.00021536048759
                   +0 :              -0.00012207580123
                   +1 :               0.00015775343918
                4p
                   -1 :               0.00005175490292
                   +0 :               0.00002781252800
                   +1 :              -0.00002399199875
                3d
                   -2 :              -0.00002762135116
                   -1 :               0.00002697794462
                   +0 :              -0.00000779516828
                   +1 :              -0.00002216679533
                   +2 :              -0.00001516673336
             12 vec=    -5.186775     11.736381    -10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00005155648807
                2p
                   -1 :               0.00003272430525
                   +0 :              -0.00006427264541
                   +1 :              -0.00002532636912
                3s
                   +0 :              -0.00014882415167
                4s
                   +0 :               0.00013831201524
                3p
                   -1 :              -0.00011678516739
                   +0 :               0.00028422682995
                   +1 :               0.00016233608490
                4p
                   -1 :               0.00006289627470
                   +0 :              -0.00011487760096
                   +1 :              -0.00005243845896
                3d
                   -2 :               0.00007242386496
                   -1 :               0.00002929902492
                   +0 :              -0.00008264678594
                   +1 :              -0.00003444306689
                   +2 :              -0.00006917022981
             13 vec=   -12.966938     -1.739256    -10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00001056290010
                2p
                   -1 :              -0.00002076367536
                   +0 :               0.00000488900257
                   +1 :               0.00004114368680
                3s
                   +0 :               0.00001428724932
                4s
                   +0 :              -0.00001280010861
                3p
                   -1 :               0.00015810249342
                   +0 :              -0.00001270696469
                   +1 :              -0.00024917782730
                4p
                   -1 :              -0.00006677621290
                   +0 :               0.00000590500343
                   +1 :               0.00009472096735
                3d
                   -2 :              -0.00003899105446
                   -1 :               0.00001621706998
                   +0 :              -0.00002347995558
                   +1 :               0.00003235103015
                   +2 :               0.00006171139875
             14 vec=    10.373550      2.752623     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00002021440021
                2p
                   -1 :              -0.00000428575955
                   +0 :              -0.00001435775076
                   +1 :               0.00001385221398
                3s
                   +0 :               0.00010150208884
                4s
                   +0 :              -0.00003244208871
                3p
                   -1 :               0.00008987828003
                   +0 :               0.00013890340058
                   +1 :               0.00006087480678
                4p
                   -1 :              -0.00001359638206
                   +0 :              -0.00006488192313
                   +1 :               0.00000216116376
                3d
                   -2 :               0.00001398550021
                   -1 :               0.00000854454897
                   +0 :              -0.00000303893312
                   +1 :               0.00001938372038
                   +2 :               0.00002764704626
             15 vec=     2.593388    -10.723014     13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00004431096255
                2p
                   -1 :               0.00002702781173
                   +0 :              -0.00002439465158
                   +1 :               0.00000650437775
                3s
                   +0 :              -0.00001818561413
                4s
                   +0 :              -0.00000883004259
                3p
                   -1 :              -0.00001631250793
                   +0 :               0.00008893838127
                   +1 :              -0.00006993594029
                4p
                   -1 :               0.00000713958168
                   +0 :              -0.00001715737246
                   +1 :               0.00000672980754
                3d
                   -2 :               0.00003425143868
                   -1 :              -0.00003297011530
                   +0 :               0.00003176022370
                   +1 :              -0.00002133791667
                   +2 :              -0.00001199068290
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al( 11)  npairs=  14
              1 vec=     2.593388     -1.739256      1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02407175736656
                2p
                   -1 :               0.00692105133091
                   +0 :              -0.01572390435404
                   +1 :              -0.02323589794199
                3s
                   +0 :              -0.06816434642238
                4s
                   +0 :              -0.00517557149669
                3p
                   -1 :               0.00286971665448
                   +0 :              -0.02836582667507
                   +1 :              -0.05269388178896
                4p
                   -1 :               0.00332716358288
                   +0 :              -0.00718261095244
                   +1 :              -0.01148494427098
                3d
                   -2 :               0.01121239352424
                   -1 :               0.00597902320559
                   +0 :              -0.00083417756627
                   +1 :              -0.03661556991384
                   +2 :              -0.03443295842780
              2 vec=    -5.186775      2.752623      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00291661254619
                2p
                   -1 :              -0.00110762208014
                   +0 :              -0.00005073677913
                   +1 :               0.00290063674354
                3s
                   +0 :               0.00758933011603
                4s
                   +0 :              -0.00446610859787
                3p
                   -1 :               0.00374417242320
                   +0 :              -0.00119771605254
                   +1 :              -0.00888563588063
                4p
                   -1 :              -0.00084912714114
                   +0 :               0.00032153390201
                   +1 :               0.00383482800907
                3d
                   -2 :              -0.00179031381545
                   -1 :               0.00048869197067
                   +0 :              -0.00128863698611
                   +1 :              -0.00017530339323
                   +2 :              -0.00236581088602
              3 vec=     2.593388      7.244502      1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00008731403935
                2p
                   -1 :              -0.00050181115212
                   +0 :               0.00011085648573
                   +1 :              -0.00043628471141
                3s
                   +0 :               0.01268903543620
                4s
                   +0 :              -0.00013312650851
                3p
                   -1 :               0.00696556900968
                   +0 :               0.00793830653797
                   +1 :              -0.00395170504757
                4p
                   -1 :              -0.00013823387554
                   +0 :              -0.00025721929544
                   +1 :              -0.00017507235517
                3d
                   -2 :              -0.00285076693347
                   -1 :               0.00301700406971
                   +0 :               0.00105896330997
                   +1 :              -0.00087026545920
                   +2 :              -0.00163340066468
              4 vec=    -5.186775     -6.231135      1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00034237404197
                2p
                   -1 :               0.00091067906584
                   +0 :               0.00005620142154
                   +1 :              -0.00003264318109
                3s
                   +0 :              -0.00822203649744
                4s
                   +0 :               0.00086852773245
                3p
                   -1 :              -0.00655277932854
                   +0 :              -0.00577681499841
                   +1 :               0.00563275332350
                4p
                   -1 :               0.00112873313463
                   +0 :               0.00054060398564
                   +1 :              -0.00019975394731
                3d
                   -2 :               0.00180354118150
                   -1 :              -0.00068927749995
                   +0 :              -0.00096240051574
                   +1 :               0.00328650877329
                   +2 :              -0.00234240693340
              5 vec=    10.373550      2.752623      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00009523794950
                2p
                   -1 :               0.00014363847083
                   +0 :              -0.00019688698361
                   +1 :               0.00014015244188
                3s
                   +0 :               0.00117959244306
                4s
                   +0 :              -0.00009220081410
                3p
                   -1 :              -0.00132322080290
                   +0 :               0.00120274741118
                   +1 :               0.00038628209322
                4p
                   -1 :               0.00007222459712
                   +0 :              -0.00006642077654
                   +1 :               0.00000136910727
                3d
                   -2 :              -0.00030037335340
                   -1 :              -0.00026186221915
                   +0 :               0.00000701427118
                   +1 :               0.00023907177387
                   +2 :              -0.00035212329731
              6 vec=     2.593388    -10.723014      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00046701890009
                2p
                   -1 :              -0.00024758879411
                   +0 :               0.00001285985551
                   +1 :              -0.00019099467728
                3s
                   +0 :              -0.00345376045883
                4s
                   +0 :               0.00108391608332
                3p
                   -1 :               0.00270902757834
                   +0 :              -0.00087039902281
                   +1 :               0.00032102162803
                4p
                   -1 :              -0.00063913276346
                   +0 :               0.00012972114543
                   +1 :              -0.00027999173172
                3d
                   -2 :              -0.00034337128490
                   -1 :               0.00041418512625
                   +0 :               0.00009889251306
                   +1 :              -0.00022782372255
                   +2 :               0.00058663020878
              7 vec=    10.373550     -6.231135      1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00022233541058
                2p
                   -1 :              -0.00010529507028
                   +0 :               0.00017042412115
                   +1 :               0.00014013170109
                3s
                   +0 :              -0.00058343524467
                4s
                   +0 :               0.00005957079838
                3p
                   -1 :               0.00071071016913
                   +0 :              -0.00081842052809
                   +1 :              -0.00052547635538
                4p
                   -1 :              -0.00016907852556
                   +0 :               0.00011247214198
                   +1 :               0.00011504641072
                3d
                   -2 :               0.00027082006368
                   -1 :               0.00004716509561
                   +0 :               0.00011487175322
                   +1 :              -0.00012521888146
                   +2 :               0.00013849796775
              8 vec=    -5.186775     11.736381      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00028524392289
                2p
                   -1 :               0.00021471651052
                   +0 :               0.00014895229706
                   +1 :               0.00005472947732
                3s
                   +0 :               0.00253570750655
                4s
                   +0 :              -0.00031493206000
                3p
                   -1 :               0.00017470377744
                   +0 :               0.00085549839154
                   +1 :               0.00068479407955
                4p
                   -1 :               0.00024181994161
                   +0 :              -0.00002994804323
                   +1 :               0.00005466238405
                3d
                   -2 :               0.00054826097883
                   -1 :               0.00052914479186
                   +0 :               0.00019774597173
                   +1 :               0.00041356785362
                   +2 :               0.00012001690423
              9 vec=   -12.966938     -1.739256      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00025155888029
                2p
                   -1 :               0.00004020232365
                   +0 :               0.00007050057508
                   +1 :              -0.00002718377862
                3s
                   +0 :              -0.00116201518861
                4s
                   +0 :               0.00010601983573
                3p
                   -1 :               0.00005538099404
                   +0 :              -0.00074995063853
                   +1 :               0.00028105674358
                4p
                   -1 :               0.00006979760471
                   +0 :               0.00016872492712
                   +1 :               0.00008494218922
                3d
                   -2 :              -0.00006624670520
                   -1 :               0.00016793966658
                   +0 :              -0.00010046286110
                   +1 :               0.00031739949366
                   +2 :               0.00004535316483
             10 vec=   -12.966938      7.244502      1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00013325314512
                2p
                   -1 :              -0.00005001741338
                   +0 :               0.00001347576100
                   +1 :               0.00004068805023
                3s
                   +0 :               0.00079520498488
                4s
                   +0 :              -0.00028117498712
                3p
                   -1 :               0.00020079931590
                   +0 :               0.00006188786345
                   +1 :              -0.00049466065281
                4p
                   -1 :              -0.00009808326096
                   +0 :               0.00001261739367
                   +1 :               0.00014184910646
                3d
                   -2 :              -0.00003439198854
                   -1 :              -0.00005322214691
                   +0 :               0.00002261944676
                   +1 :              -0.00005997436359
                   +2 :               0.00001879975987
             11 vec=    10.373550     11.736381      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00014497694834
                2p
                   -1 :              -0.00008835657600
                   +0 :              -0.00004493489712
                   +1 :              -0.00004871465971
                3s
                   +0 :               0.00046786222037
                4s
                   +0 :              -0.00019318599909
                3p
                   -1 :               0.00036498051168
                   +0 :               0.00029614930185
                   +1 :               0.00032821198033
                4p
                   -1 :              -0.00006952851522
                   +0 :              -0.00008001861437
                   +1 :              -0.00008895534635
                3d
                   -2 :               0.00010672525391
                   -1 :               0.00006242864163
                   +0 :              -0.00008604000963
                   +1 :               0.00008572856236
                   +2 :               0.00005607700114
             12 vec=    -5.186775    -15.214893      1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00006068194993
                2p
                   -1 :               0.00001880050590
                   +0 :              -0.00001195990618
                   +1 :              -0.00003056008988
                3s
                   +0 :              -0.00022982486705
                4s
                   +0 :              -0.00002442374119
                3p
                   -1 :              -0.00025591687659
                   +0 :              -0.00000058911890
                   +1 :               0.00019738594044
                4p
                   -1 :               0.00013100918697
                   +0 :              -0.00002154601803
                   +1 :              -0.00004850125947
                3d
                   -2 :              -0.00007402004455
                   -1 :              -0.00000338114995
                   +0 :               0.00001412394838
                   +1 :               0.00005086699832
                   +2 :              -0.00006513480848
             13 vec=     2.593388     16.228260      1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00007996536715
                2p
                   -1 :              -0.00002050322332
                   +0 :              -0.00002061694191
                   +1 :               0.00001705263935
                3s
                   +0 :               0.00040004619061
                4s
                   +0 :              -0.00006615593343
                3p
                   -1 :               0.00011311954784
                   +0 :               0.00019255139940
                   +1 :              -0.00008138304142
                4p
                   -1 :              -0.00000895379326
                   +0 :              -0.00001276439232
                   +1 :               0.00000353438833
                3d
                   -2 :              -0.00001460451785
                   -1 :               0.00008365510528
                   +0 :               0.00001936933355
                   +1 :              -0.00005031265730
                   +2 :              -0.00000630035603
             14 vec=   -12.966938    -10.723014      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00000903352945
                2p
                   -1 :              -0.00001727151241
                   +0 :              -0.00001568644443
                   +1 :               0.00000434755979
                3s
                   +0 :              -0.00015345460275
                4s
                   +0 :               0.00007214109410
                3p
                   -1 :               0.00018730414968
                   +0 :               0.00000919192343
                   +1 :               0.00006866069128
                4p
                   -1 :              -0.00003783146500
                   +0 :              -0.00001293929110
                   +1 :              -0.00004989204531
                3d
                   -2 :              -0.00003026073772
                   -1 :               0.00003363017947
                   +0 :               0.00000059361678
                   +1 :              -0.00001200303509
                   +2 :               0.00001733508081
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site Al( 12)  npairs=  14
              1 vec=     2.593388     -1.739256     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00098905449407
                2p
                   -1 :               0.00019662172861
                   +0 :              -0.00062566051670
                   +1 :               0.00062388841485
                3s
                   +0 :              -0.00223517029296
                4s
                   +0 :               0.00062404875847
                3p
                   -1 :              -0.00212090439077
                   +0 :               0.00360091883160
                   +1 :              -0.00227561493001
                4p
                   -1 :               0.00081646211918
                   +0 :              -0.00160369104100
                   +1 :              -0.00002907434794
                3d
                   -2 :               0.00094214232495
                   -1 :              -0.00181435353507
                   +0 :              -0.00156292671641
                   +1 :              -0.00034904053388
                   +2 :               0.00089230934928
              2 vec=    -5.186775      2.752623     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00022831522636
                2p
                   -1 :              -0.00052383987261
                   +0 :               0.00079452621552
                   +1 :              -0.00036403815889
                3s
                   +0 :               0.00215422257428
                4s
                   +0 :               0.00085965217413
                3p
                   -1 :               0.00456937391878
                   +0 :              -0.00342184366989
                   +1 :               0.00222852239645
                4p
                   -1 :              -0.00085725801275
                   +0 :               0.00096333779088
                   +1 :              -0.00109039415848
                3d
                   -2 :              -0.00123696245345
                   -1 :              -0.00110666321928
                   +0 :              -0.00044010781373
                   +1 :              -0.00009346957809
                   +2 :              -0.00111183534218
              3 vec=     2.593388      7.244502     -5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00032390978299
                2p
                   -1 :              -0.00081360755296
                   +0 :              -0.00029592303482
                   +1 :               0.00042630258999
                3s
                   +0 :               0.00030838434930
                4s
                   +0 :              -0.00043836657806
                3p
                   -1 :               0.00503440659613
                   +0 :               0.00063147389258
                   +1 :              -0.00280806356348
                4p
                   -1 :              -0.00150461119488
                   +0 :              -0.00010945635330
                   +1 :               0.00067851884331
                3d
                   -2 :               0.00035491082535
                   -1 :              -0.00076663303428
                   +0 :               0.00029528907672
                   +1 :               0.00046469146294
                   +2 :              -0.00066598515290
              4 vec=    -5.186775     -6.231135     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00206200413643
                2p
                   -1 :               0.00138412215237
                   +0 :               0.00015851429396
                   +1 :              -0.00021231388501
                3s
                   +0 :               0.00578877107371
                4s
                   +0 :              -0.00168791120803
                3p
                   -1 :              -0.00627290865232
                   +0 :               0.00045491728108
                   +1 :               0.00128123602472
                4p
                   -1 :               0.00139944021697
                   +0 :              -0.00062469019579
                   +1 :              -0.00010046846535
                3d
                   -2 :              -0.00026726834442
                   -1 :               0.00049928452811
                   +0 :              -0.00065146755257
                   +1 :              -0.00035720120031
                   +2 :              -0.00110242911271
              5 vec=    10.373550      2.752623     -5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00007091953119
                2p
                   -1 :              -0.00004420481121
                   +0 :              -0.00012504704978
                   +1 :               0.00014929642582
                3s
                   +0 :              -0.00035110670926
                4s
                   +0 :               0.00033873877380
                3p
                   -1 :               0.00040951359358
                   +0 :               0.00012766482377
                   +1 :              -0.00109676102082
                4p
                   -1 :              -0.00009219291482
                   +0 :              -0.00004560948599
                   +1 :               0.00045052646612
                3d
                   -2 :               0.00005902007430
                   -1 :              -0.00009443615006
                   +0 :               0.00007632722223
                   +1 :               0.00003978413583
                   +2 :              -0.00021112358542
              6 vec=     2.593388    -10.723014     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00018023036903
                2p
                   -1 :               0.00016736292135
                   +0 :               0.00006748575880
                   +1 :              -0.00010470827972
                3s
                   +0 :               0.00004325008559
                4s
                   +0 :              -0.00020200247408
                3p
                   -1 :              -0.00011734792786
                   +0 :              -0.00011071782681
                   +1 :               0.00075948379338
                4p
                   -1 :               0.00012547667548
                   +0 :              -0.00000250867563
                   +1 :              -0.00016640322869
                3d
                   -2 :              -0.00020582968028
                   -1 :               0.00015835903419
                   +0 :               0.00007425252670
                   +1 :              -0.00015193961277
                   +2 :              -0.00000122646864
              7 vec=    10.373550     -6.231135     -5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00011990427843
                2p
                   -1 :               0.00000979544243
                   +0 :               0.00003685365475
                   +1 :              -0.00000021980075
                3s
                   +0 :               0.00038584720263
                4s
                   +0 :              -0.00009585569007
                3p
                   -1 :              -0.00015096815394
                   +0 :              -0.00012886841580
                   +1 :               0.00004136607323
                4p
                   -1 :               0.00002886966711
                   +0 :              -0.00004850417876
                   +1 :              -0.00002703122326
                3d
                   -2 :               0.00001539874818
                   -1 :              -0.00000057082922
                   +0 :              -0.00005704224572
                   +1 :              -0.00003119773119
                   +2 :              -0.00010160355470
              8 vec=    -5.186775     11.736381     -5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00042156492199
                2p
                   -1 :               0.00010046200780
                   +0 :              -0.00010327324636
                   +1 :              -0.00016757786957
                3s
                   +0 :              -0.00084329105687
                4s
                   +0 :               0.00012132404459
                3p
                   -1 :              -0.00016003799166
                   +0 :               0.00040928177852
                   +1 :               0.00040653225309
                4p
                   -1 :              -0.00005965309720
                   +0 :              -0.00011239008797
                   +1 :              -0.00004630153047
                3d
                   -2 :               0.00005335027991
                   -1 :               0.00013105038319
                   +0 :               0.00002784872533
                   +1 :              -0.00016166830935
                   +2 :              -0.00000872596226
              9 vec=   -12.966938     -1.739256     -5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00007953906568
                2p
                   -1 :               0.00006262370688
                   +0 :               0.00002108539837
                   +1 :               0.00002824500597
                3s
                   +0 :               0.00042289833340
                4s
                   +0 :              -0.00023283906843
                3p
                   -1 :              -0.00046656210927
                   +0 :              -0.00005670772661
                   +1 :              -0.00026176127711
                4p
                   -1 :               0.00013860681838
                   +0 :               0.00005163432085
                   +1 :               0.00013557359787
                3d
                   -2 :               0.00004834238109
                   -1 :               0.00003435428088
                   +0 :              -0.00007019495047
                   +1 :              -0.00004529143822
                   +2 :              -0.00009495396696
             10 vec=   -12.966938      7.244502     -5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00002278636883
                2p
                   -1 :               0.00003294966442
                   +0 :               0.00004496507044
                   +1 :              -0.00000531143645
                3s
                   +0 :              -0.00004948016311
                4s
                   +0 :               0.00005882242226
                3p
                   -1 :              -0.00014727918467
                   +0 :              -0.00026950868628
                   +1 :              -0.00001639929733
                4p
                   -1 :               0.00004948473866
                   +0 :               0.00008297366610
                   +1 :              -0.00000610303478
                3d
                   -2 :               0.00000675052554
                   -1 :               0.00002885351724
                   +0 :               0.00000540750201
                   +1 :               0.00004097164971
                   +2 :               0.00002869245377
             11 vec=    10.373550     11.736381     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00006496753715
                2p
                   -1 :               0.00003819612335
                   +0 :              -0.00005797742365
                   +1 :               0.00005414034328
                3s
                   +0 :              -0.00006891660205
                4s
                   +0 :               0.00001517196010
                3p
                   -1 :              -0.00012889029474
                   +0 :               0.00026982858184
                   +1 :              -0.00017301123756
                4p
                   -1 :               0.00002077787843
                   +0 :              -0.00003912432582
                   +1 :               0.00003808836395
                3d
                   -2 :              -0.00007435573066
                   -1 :               0.00008315983132
                   +0 :              -0.00001201091373
                   +1 :               0.00008910159817
                   +2 :              -0.00001812359070
             12 vec=    -5.186775    -15.214893     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00011507450591
                2p
                   -1 :               0.00008408251205
                   +0 :               0.00003409995061
                   +1 :              -0.00003053905114
                3s
                   +0 :               0.00031446192423
                4s
                   +0 :              -0.00014291367997
                3p
                   -1 :              -0.00041241571305
                   +0 :              -0.00013471910063
                   +1 :               0.00012915831056
                4p
                   -1 :               0.00011475914199
                   +0 :               0.00003162961690
                   +1 :              -0.00002611275382
                3d
                   -2 :              -0.00001407169347
                   -1 :               0.00009260751204
                   +0 :              -0.00000925053385
                   +1 :              -0.00001703008920
                   +2 :              -0.00006527077088
             13 vec=     2.593388     16.228260     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00001912943710
                2p
                   -1 :              -0.00003086464941
                   +0 :              -0.00001240774946
                   +1 :              -0.00001596266575
                3s
                   +0 :               0.00012889458582
                4s
                   +0 :              -0.00006964588819
                3p
                   -1 :               0.00016656331005
                   +0 :               0.00000194493605
                   +1 :               0.00009220781993
                4p
                   -1 :              -0.00006070815922
                   +0 :               0.00002139667381
                   +1 :              -0.00002183393488
                3d
                   -2 :               0.00000073338633
                   -1 :              -0.00000964899274
                   +0 :               0.00003350899830
                   +1 :              -0.00001226734328
                   +2 :              -0.00001603093593
             14 vec=   -12.966938    -10.723014     -5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00001662378501
                2p
                   -1 :              -0.00000085334321
                   +0 :              -0.00000821766377
                   +1 :               0.00000159303984
                3s
                   +0 :              -0.00007847815957
                4s
                   +0 :               0.00001931574384
                3p
                   -1 :               0.00002256533962
                   +0 :               0.00000021891812
                   +1 :              -0.00001936024271
                4p
                   -1 :              -0.00001532158377
                   +0 :               0.00002342021417
                   +1 :               0.00002061673117
                3d
                   -2 :               0.00004351674364
                   -1 :               0.00002425623735
                   +0 :              -0.00000278464174
                   +1 :              -0.00002228848944
                   +2 :              -0.00004327239763
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 13)  npairs=  14
              1 vec=     2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005868182563
                2s
                   +0 :               0.00029133731786
                3s
                   +0 :              -0.00027195026970
                2p
                   -1 :               0.00010266876192
                   +0 :              -0.00037609348547
                   +1 :              -0.00000167955532
                3p
                   -1 :              -0.00006693447624
                   +0 :               0.00052892778413
                   +1 :              -0.00009026633823
                3d
                   -2 :              -0.00002668255462
                   -1 :               0.00000183116788
                   +0 :              -0.00006539940363
                   +1 :               0.00001809701127
                   +2 :              -0.00000451118889
              2 vec=     2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005380114279
                2s
                   +0 :              -0.00039055132038
                3s
                   +0 :               0.00019428678734
                2p
                   -1 :               0.00038383138649
                   +0 :              -0.00046304179043
                   +1 :              -0.00006854102946
                3p
                   -1 :              -0.00030209533985
                   +0 :               0.00028471918929
                   +1 :              -0.00013013622552
                3d
                   -2 :               0.00000253882734
                   -1 :              -0.00002392875487
                   +0 :               0.00002215480146
                   +1 :              -0.00001836323969
                   +2 :              -0.00000485031654
              3 vec=    -5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000235151734
                2s
                   +0 :              -0.00002546292459
                3s
                   +0 :              -0.00002211187191
                2p
                   -1 :              -0.00072123897681
                   +0 :               0.00005801202775
                   +1 :               0.00024369170896
                3p
                   -1 :               0.00024179666627
                   +0 :               0.00000443081304
                   +1 :               0.00000786893002
                3d
                   -2 :              -0.00000415558839
                   -1 :               0.00001632081473
                   +0 :              -0.00002406164624
                   +1 :               0.00000308166248
                   +2 :               0.00000462256688
              4 vec=    -5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00005405377476
                2s
                   +0 :              -0.00030792779010
                3s
                   +0 :               0.00012790543838
                2p
                   -1 :              -0.00020260209368
                   +0 :               0.00007957412072
                   +1 :               0.00039986406916
                3p
                   -1 :              -0.00008373648996
                   +0 :              -0.00007733850108
                   +1 :              -0.00013624208954
                3d
                   -2 :               0.00000252167639
                   -1 :              -0.00002725801131
                   +0 :              -0.00001157001480
                   +1 :               0.00002316912120
                   +2 :               0.00001073331638
              5 vec=    -5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001411408756
                2s
                   +0 :              -0.00009788026101
                3s
                   +0 :               0.00007719949853
                2p
                   -1 :              -0.00011135551644
                   +0 :               0.00015413420746
                   +1 :               0.00013993729802
                3p
                   -1 :               0.00006989546876
                   +0 :              -0.00010420454885
                   +1 :              -0.00012126784444
                3d
                   -2 :              -0.00000579846423
                   -1 :              -0.00001503317333
                   +0 :               0.00000841445077
                   +1 :               0.00000378416017
                   +2 :               0.00000791137740
              6 vec=    -5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001451583113
                2s
                   +0 :              -0.00002490206904
                3s
                   +0 :               0.00001823946791
                2p
                   -1 :               0.00008290065846
                   +0 :               0.00003224159505
                   +1 :              -0.00000669384423
                3p
                   -1 :              -0.00011685300137
                   +0 :              -0.00002728093859
                   +1 :              -0.00004409942882
                3d
                   -2 :               0.00000430415681
                   -1 :               0.00000101939365
                   +0 :              -0.00001265131079
                   +1 :               0.00000176575103
                   +2 :               0.00000239606806
              7 vec=     2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001236957304
                2s
                   +0 :              -0.00017716786649
                3s
                   +0 :              -0.00001644902143
                2p
                   -1 :               0.00000422943916
                   +0 :               0.00011350389650
                   +1 :               0.00003075016691
                3p
                   -1 :               0.00007818681087
                   +0 :               0.00009761388495
                   +1 :               0.00002153626604
                3d
                   -2 :              -0.00000595257626
                   -1 :              -0.00002253497838
                   +0 :               0.00000443854347
                   +1 :              -0.00000819488652
                   +2 :               0.00001247350287
              8 vec=     2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001693083773
                2s
                   +0 :              -0.00034768430273
                3s
                   +0 :              -0.00002222891091
                2p
                   -1 :               0.00034661434949
                   +0 :              -0.00029475346789
                   +1 :               0.00005807327540
                3p
                   -1 :              -0.00018877812477
                   +0 :               0.00001168247956
                   +1 :               0.00005114420367
                3d
                   -2 :              -0.00001111128820
                   -1 :               0.00001273160957
                   +0 :              -0.00001937702655
                   +1 :               0.00000430599023
                   +2 :              -0.00000876205543
              9 vec=     2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002077757589
                2s
                   +0 :              -0.00014211544637
                3s
                   +0 :               0.00008345459726
                2p
                   -1 :               0.00007114429197
                   +0 :               0.00011821316492
                   +1 :              -0.00003525607105
                3p
                   -1 :              -0.00002597277434
                   +0 :              -0.00016306659428
                   +1 :              -0.00001360869389
                3d
                   -2 :              -0.00001160186166
                   -1 :               0.00000457075493
                   +0 :               0.00002139999265
                   +1 :              -0.00000827768584
                   +2 :              -0.00000269843648
             10 vec=     2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000424677382
                2s
                   +0 :               0.00011798034204
                3s
                   +0 :              -0.00001572030709
                2p
                   -1 :              -0.00003581643007
                   +0 :               0.00001133690254
                   +1 :               0.00004792439435
                3p
                   -1 :               0.00004201713026
                   +0 :               0.00003401933325
                   +1 :              -0.00003404633000
                3d
                   -2 :               0.00001054219051
                   -1 :              -0.00000109469316
                   +0 :               0.00000442462907
                   +1 :              -0.00001317356987
                   +2 :              -0.00000240050779
             11 vec=    10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000938704841
                2s
                   +0 :               0.00005149829266
                3s
                   +0 :              -0.00003534384801
                2p
                   -1 :               0.00012348627671
                   +0 :              -0.00010631543092
                   +1 :               0.00001461021046
                3p
                   -1 :              -0.00012228577611
                   +0 :               0.00008474962991
                   +1 :              -0.00001731246101
                3d
                   -2 :              -0.00000181136071
                   -1 :               0.00001392343847
                   +0 :              -0.00000838521711
                   +1 :               0.00000473823295
                   +2 :              -0.00000922145833
             12 vec=    10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000952864789
                2s
                   +0 :              -0.00010202214181
                3s
                   +0 :              -0.00002778344906
                2p
                   -1 :              -0.00002737247097
                   +0 :              -0.00003651995970
                   +1 :              -0.00005372304973
                3p
                   -1 :              -0.00000646381429
                   +0 :              -0.00011281849655
                   +1 :               0.00000186988308
                3d
                   -2 :               0.00000291402224
                   -1 :               0.00000696177998
                   +0 :              -0.00001614577070
                   +1 :              -0.00001069409732
                   +2 :               0.00000183236541
             13 vec=    10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001945747727
                2s
                   +0 :              -0.00009243480691
                3s
                   +0 :               0.00007636787002
                2p
                   -1 :               0.00003005825766
                   +0 :               0.00006927834670
                   +1 :               0.00001368355812
                3p
                   -1 :               0.00001572112292
                   +0 :              -0.00008999940485
                   +1 :               0.00000483578228
                3d
                   -2 :              -0.00000017666185
                   -1 :               0.00000507459121
                   +0 :               0.00000891432560
                   +1 :              -0.00000341732231
                   +2 :              -0.00000596857207
             14 vec=    10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001660702429
                2s
                   +0 :               0.00012679601471
                3s
                   +0 :              -0.00005071340594
                2p
                   -1 :              -0.00001341385781
                   +0 :               0.00004500801663
                   +1 :               0.00003166309909
                3p
                   -1 :               0.00005378457723
                   +0 :              -0.00002794216658
                   +1 :              -0.00002646033792
                3d
                   -2 :               0.00001433343768
                   -1 :               0.00001137101072
                   +0 :              -0.00000399260223
                   +1 :              -0.00001497058844
                   +2 :              -0.00001134311471
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 14)  npairs=  14
              1 vec=    -2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00006892181571
                2s
                   +0 :              -0.00042917015503
                3s
                   +0 :               0.00022755149623
                2p
                   -1 :               0.00034725228353
                   +0 :               0.00044880750240
                   +1 :               0.00009407578086
                3p
                   -1 :              -0.00026787487551
                   +0 :              -0.00035497443260
                   +1 :               0.00008201438894
                3d
                   -2 :              -0.00000815170470
                   -1 :               0.00002195689995
                   +0 :               0.00003405652721
                   +1 :              -0.00001697833547
                   +2 :              -0.00000919063930
              2 vec=    -2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00002618094686
                2s
                   +0 :               0.00006292349487
                3s
                   +0 :              -0.00018774596022
                2p
                   -1 :               0.00038846146243
                   +0 :               0.00024939283571
                   +1 :               0.00004964405168
                3p
                   -1 :              -0.00026356163064
                   +0 :              -0.00045282750608
                   +1 :               0.00008354852044
                3d
                   -2 :               0.00002210313197
                   -1 :              -0.00001994158406
                   +0 :              -0.00006020854959
                   +1 :               0.00002491673652
                   +2 :              -0.00002102272552
              3 vec=     5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00003917579483
                2s
                   +0 :              -0.00013186017286
                3s
                   +0 :               0.00008329617050
                2p
                   -1 :              -0.00024640679077
                   +0 :              -0.00010740788355
                   +1 :              -0.00050186260201
                3p
                   -1 :              -0.00012934507083
                   +0 :               0.00012280034368
                   +1 :               0.00020378107080
                3d
                   -2 :              -0.00000145597406
                   -1 :               0.00002301993914
                   +0 :              -0.00002538388100
                   +1 :              -0.00000192671634
                   +2 :              -0.00000137436378
              4 vec=     5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002020826679
                2s
                   +0 :              -0.00020010849887
                3s
                   +0 :               0.00003115226968
                2p
                   -1 :              -0.00059519571997
                   +0 :              -0.00006090297479
                   +1 :              -0.00032848154659
                3p
                   -1 :               0.00019389376900
                   +0 :               0.00004169624578
                   +1 :               0.00010401279838
                3d
                   -2 :               0.00000226088392
                   -1 :              -0.00002514165236
                   +0 :              -0.00000914645516
                   +1 :              -0.00000234640179
                   +2 :              -0.00000053088013
              5 vec=    -2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000078748710
                2s
                   +0 :              -0.00027748422865
                3s
                   +0 :              -0.00003744567987
                2p
                   -1 :               0.00027640922235
                   +0 :               0.00028930750043
                   +1 :              -0.00010303256083
                3p
                   -1 :              -0.00012333370093
                   +0 :               0.00000577426575
                   +1 :              -0.00002002852572
                3d
                   -2 :               0.00000345653985
                   -1 :              -0.00001457334089
                   +0 :               0.00000340875388
                   +1 :               0.00000867306080
                   +2 :              -0.00000812418889
              6 vec=    -2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00001682794445
                2s
                   +0 :              -0.00023237475631
                3s
                   +0 :               0.00002899108436
                2p
                   -1 :              -0.00000587383048
                   +0 :              -0.00021623871271
                   +1 :               0.00019267696337
                3p
                   -1 :               0.00007070039978
                   +0 :               0.00001081943116
                   +1 :              -0.00021844835427
                3d
                   -2 :               0.00003149382318
                   -1 :               0.00001026419647
                   +0 :              -0.00000278760406
                   +1 :              -0.00004443179850
                   +2 :               0.00002888196256
              7 vec=     5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00000769029289
                2s
                   +0 :               0.00008184430495
                3s
                   +0 :              -0.00006779956002
                2p
                   -1 :               0.00004687765406
                   +0 :              -0.00007166059175
                   +1 :              -0.00010459769075
                3p
                   -1 :              -0.00008478290442
                   +0 :               0.00004540199606
                   +1 :               0.00014185219468
                3d
                   -2 :              -0.00000353056901
                   -1 :              -0.00000082207172
                   +0 :              -0.00001630342186
                   +1 :              -0.00000423230549
                   +2 :               0.00000500797549
              8 vec=     5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000434921508
                2s
                   +0 :              -0.00001879258259
                3s
                   +0 :               0.00005375056718
                2p
                   -1 :              -0.00017417247683
                   +0 :              -0.00015796884266
                   +1 :              -0.00014459496996
                3p
                   -1 :               0.00014304204410
                   +0 :               0.00012616571290
                   +1 :               0.00012887234020
                3d
                   -2 :               0.00000894671826
                   -1 :               0.00001742996177
                   +0 :               0.00000747398048
                   +1 :               0.00000290426235
                   +2 :               0.00000085190817
              9 vec=   -10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001032801066
                2s
                   +0 :              -0.00005087351067
                3s
                   +0 :               0.00001335069713
                2p
                   -1 :               0.00014950103460
                   +0 :               0.00004316720413
                   +1 :               0.00020886416394
                3p
                   -1 :              -0.00014360557200
                   +0 :              -0.00000000595666
                   +1 :              -0.00015925852283
                3d
                   -2 :               0.00000840293997
                   -1 :               0.00001084882460
                   +0 :               0.00000161804724
                   +1 :               0.00000741284247
                   +2 :               0.00000440237286
             10 vec=   -10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001617789771
                2s
                   +0 :               0.00007013776333
                3s
                   +0 :              -0.00015478111608
                2p
                   -1 :               0.00001637420213
                   +0 :               0.00005081489365
                   +1 :              -0.00004088883798
                3p
                   -1 :               0.00002262545768
                   +0 :              -0.00016913201571
                   +1 :               0.00007008065996
                3d
                   -2 :              -0.00002161638459
                   -1 :               0.00002874385950
                   +0 :              -0.00003446787851
                   +1 :               0.00004543245173
                   +2 :              -0.00000475788727
             11 vec=    -2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000598544863
                2s
                   +0 :              -0.00003955691933
                3s
                   +0 :               0.00003358169155
                2p
                   -1 :              -0.00013568267812
                   +0 :               0.00002087252951
                   +1 :              -0.00003619659096
                3p
                   -1 :               0.00013214257674
                   +0 :              -0.00006100471456
                   +1 :               0.00005808158139
                3d
                   -2 :              -0.00001468377194
                   -1 :              -0.00000717493072
                   +0 :               0.00000712947323
                   +1 :               0.00000158905114
                   +2 :               0.00000524498800
             12 vec=    -2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001636339247
                2s
                   +0 :              -0.00002994067136
                3s
                   +0 :               0.00007314459305
                2p
                   -1 :              -0.00001302739277
                   +0 :              -0.00002433624980
                   +1 :              -0.00008688593874
                3p
                   -1 :               0.00005282619511
                   +0 :               0.00006753832249
                   +1 :               0.00006704546757
                3d
                   -2 :               0.00000662718293
                   -1 :               0.00000487724766
                   +0 :               0.00000321081279
                   +1 :               0.00000197875204
                   +2 :              -0.00000448380591
             13 vec=   -10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001590503190
                2s
                   +0 :               0.00011042234650
                3s
                   +0 :              -0.00002222699477
                2p
                   -1 :              -0.00001808402895
                   +0 :              -0.00004655710980
                   +1 :              -0.00002241684802
                3p
                   -1 :               0.00006373070797
                   +0 :              -0.00001322089673
                   +1 :              -0.00000406279781
                3d
                   -2 :              -0.00001141631301
                   -1 :              -0.00000975848137
                   +0 :               0.00000127954497
                   +1 :               0.00000274051705
                   +2 :              -0.00000177883158
             14 vec=   -10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000936565192
                2s
                   +0 :              -0.00002521081645
                3s
                   +0 :               0.00002055466406
                2p
                   -1 :              -0.00006021721552
                   +0 :              -0.00004043952220
                   +1 :              -0.00001835996818
                3p
                   -1 :               0.00011079028147
                   +0 :               0.00002586946814
                   +1 :               0.00000753024281
                3d
                   -2 :              -0.00001289053209
                   -1 :               0.00001555235629
                   +0 :              -0.00000434217479
                   +1 :               0.00001475571660
                   +2 :              -0.00000193329756
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 15)  npairs=  18
              1 vec=     0.000000     -3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00000144406184
                2s
                   +0 :              -0.00014614107709
                3s
                   +0 :              -0.00003360937704
                2p
                   -1 :              -0.00029623127747
                   +0 :              -0.00017120022914
                   +1 :               0.00018083359059
                3p
                   -1 :               0.00017483698922
                   +0 :               0.00016946141031
                   +1 :              -0.00014292922351
                3d
                   -2 :               0.00000455612119
                   -1 :              -0.00000508719146
                   +0 :               0.00002500078221
                   +1 :              -0.00001112027680
                   +2 :               0.00001008512955
              2 vec=     0.000000     -3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00000078883438
                2s
                   +0 :              -0.00007852391174
                3s
                   +0 :              -0.00005781364565
                2p
                   -1 :              -0.00031693358839
                   +0 :               0.00007239156731
                   +1 :              -0.00018888454566
                3p
                   -1 :               0.00022110797256
                   +0 :              -0.00015696356070
                   +1 :               0.00014859635228
                3d
                   -2 :              -0.00000350291703
                   -1 :               0.00000700280765
                   +0 :               0.00000184493129
                   +1 :              -0.00001055603231
                   +2 :               0.00000294451878
              3 vec=     0.000000      5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00007270568113
                2s
                   +0 :               0.00052901376424
                3s
                   +0 :              -0.00015655496612
                2p
                   -1 :              -0.00013078505321
                   +0 :              -0.00050670107023
                   +1 :              -0.00039478605768
                3p
                   -1 :               0.00014797101392
                   +0 :               0.00021195622284
                   +1 :               0.00030225154654
                3d
                   -2 :              -0.00000414566165
                   -1 :              -0.00001167871878
                   +0 :              -0.00000922232332
                   +1 :              -0.00003331113642
                   +2 :               0.00001971183398
              4 vec=     0.000000      5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00012281788832
                2s
                   +0 :               0.00101603947322
                3s
                   +0 :              -0.00033459633923
                2p
                   -1 :               0.00016981832278
                   +0 :               0.00078023575354
                   +1 :               0.00017491380515
                3p
                   -1 :               0.00001246930446
                   +0 :              -0.00032496463532
                   +1 :              -0.00013496414583
                3d
                   -2 :               0.00002404888399
                   -1 :              -0.00001663411931
                   +0 :              -0.00001354580820
                   +1 :              -0.00001793574982
                   +2 :               0.00002220324896
              5 vec=    -7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00003370145037
                2s
                   +0 :               0.00041891292231
                3s
                   +0 :              -0.00005637182756
                2p
                   -1 :              -0.00005485077367
                   +0 :              -0.00062986689290
                   +1 :              -0.00028296228396
                3p
                   -1 :               0.00004330580511
                   +0 :               0.00017032457101
                   +1 :               0.00013660246999
                3d
                   -2 :               0.00000031447034
                   -1 :              -0.00000663494718
                   +0 :              -0.00000228468398
                   +1 :               0.00000077364265
                   +2 :               0.00000692829900
              6 vec=    -7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00003700764860
                2s
                   +0 :               0.00034950065180
                3s
                   +0 :              -0.00005646911774
                2p
                   -1 :              -0.00003527882249
                   +0 :               0.00031790067439
                   +1 :              -0.00007291705420
                3p
                   -1 :               0.00008322813443
                   +0 :              -0.00005579690018
                   +1 :               0.00003798793717
                3d
                   -2 :              -0.00000874311007
                   -1 :               0.00002288537782
                   +0 :               0.00001243900476
                   +1 :              -0.00000629555124
                   +2 :              -0.00001474412557
              7 vec=     7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001111793193
                2s
                   +0 :               0.00018976430265
                3s
                   +0 :              -0.00001392665041
                2p
                   -1 :              -0.00023969305553
                   +0 :              -0.00024911988852
                   +1 :               0.00013041975045
                3p
                   -1 :               0.00022057280636
                   +0 :              -0.00001510865928
                   +1 :              -0.00004634229334
                3d
                   -2 :               0.00000891650667
                   -1 :              -0.00002201936324
                   +0 :               0.00001324876004
                   +1 :              -0.00000158258333
                   +2 :              -0.00000759940268
              8 vec=     7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00007626909660
                2s
                   +0 :               0.00069816539229
                3s
                   +0 :              -0.00018488542304
                2p
                   -1 :               0.00008087794827
                   +0 :               0.00054933071061
                   +1 :               0.00012446702267
                3p
                   -1 :              -0.00003663397740
                   +0 :              -0.00017777281691
                   +1 :              -0.00004917432890
                3d
                   -2 :               0.00000493057691
                   -1 :              -0.00000758311523
                   +0 :               0.00000277698733
                   +1 :               0.00001212746944
                   +2 :               0.00000500958918
              9 vec=    -7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000283562959
                2s
                   +0 :              -0.00000394166718
                3s
                   +0 :              -0.00003174737846
                2p
                   -1 :               0.00011215924418
                   +0 :              -0.00008741098433
                   +1 :              -0.00009485008490
                3p
                   -1 :              -0.00007005946531
                   +0 :               0.00019456859638
                   +1 :               0.00011865460652
                3d
                   -2 :               0.00001256674258
                   -1 :               0.00000228413098
                   +0 :              -0.00001412629530
                   +1 :              -0.00000702093803
                   +2 :              -0.00000514615658
             10 vec=    -7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000747369697
                2s
                   +0 :              -0.00008298952317
                3s
                   +0 :               0.00000458000177
                2p
                   -1 :              -0.00009664638185
                   +0 :              -0.00005850140779
                   +1 :               0.00001607934683
                3p
                   -1 :               0.00005586102389
                   +0 :              -0.00001864140786
                   +1 :               0.00001194640173
                3d
                   -2 :               0.00000007798315
                   -1 :              -0.00000127625747
                   +0 :              -0.00000276916957
                   +1 :               0.00000115510077
                   +2 :               0.00000360144909
             11 vec=     7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000131303734
                2s
                   +0 :              -0.00000286696292
                3s
                   +0 :              -0.00000694784254
                2p
                   -1 :              -0.00008644945856
                   +0 :               0.00005417840242
                   +1 :              -0.00005699143722
                3p
                   -1 :               0.00005595968946
                   +0 :               0.00000839102870
                   +1 :               0.00002497910513
                3d
                   -2 :               0.00000062147265
                   -1 :              -0.00000217190951
                   +0 :               0.00000219719549
                   +1 :               0.00000090225716
                   +2 :               0.00000664257375
             12 vec=     7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000290319550
                2s
                   +0 :              -0.00004245137600
                3s
                   +0 :              -0.00003154436262
                2p
                   -1 :              -0.00001551103506
                   +0 :               0.00007901921018
                   +1 :               0.00008413422067
                3p
                   -1 :               0.00001712138541
                   +0 :              -0.00016725103772
                   +1 :              -0.00011437472372
                3d
                   -2 :              -0.00000852944767
                   -1 :              -0.00000007893423
                   +0 :              -0.00001113349845
                   +1 :              -0.00000741269363
                   +2 :              -0.00000354301666
             13 vec=     0.000000    -12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001247272920
                2s
                   +0 :              -0.00012869523438
                3s
                   +0 :               0.00002133181506
                2p
                   -1 :               0.00014095414726
                   +0 :               0.00009762870811
                   +1 :               0.00005336204427
                3p
                   -1 :              -0.00001584556073
                   +0 :               0.00000594311300
                   +1 :              -0.00004564923771
                3d
                   -2 :               0.00000486119406
                   -1 :               0.00000143556878
                   +0 :              -0.00000261786008
                   +1 :              -0.00000071943051
                   +2 :               0.00000290856173
             14 vec=     0.000000    -12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002593892934
                2s
                   +0 :              -0.00022635407757
                3s
                   +0 :               0.00005370600752
                2p
                   -1 :               0.00010577979963
                   +0 :              -0.00009671196596
                   +1 :              -0.00007628902897
                3p
                   -1 :              -0.00002037688838
                   +0 :               0.00001032819802
                   +1 :               0.00006292276239
                3d
                   -2 :              -0.00000580110826
                   -1 :              -0.00000050996460
                   +0 :              -0.00000062759965
                   +1 :               0.00000232188066
                   +2 :               0.00000154388136
             15 vec=    -7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002393185446
                2s
                   +0 :               0.00016778003835
                3s
                   +0 :              -0.00007218731750
                2p
                   -1 :               0.00001576099458
                   +0 :              -0.00011096090580
                   +1 :              -0.00004941250373
                3p
                   -1 :              -0.00001652762754
                   +0 :               0.00003659885259
                   +1 :               0.00001010282156
                3d
                   -2 :              -0.00000624965841
                   -1 :               0.00000461087922
                   +0 :              -0.00000168426983
                   +1 :               0.00000368426257
                   +2 :               0.00000363388368
             16 vec=    -7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000242169422
                2s
                   +0 :               0.00004622613610
                3s
                   +0 :               0.00002023643780
                2p
                   -1 :              -0.00001871863265
                   +0 :               0.00005353445892
                   +1 :              -0.00000088930984
                3p
                   -1 :               0.00003876182548
                   +0 :               0.00000198329258
                   +1 :              -0.00000417860840
                3d
                   -2 :               0.00000116444190
                   -1 :               0.00001358283719
                   +0 :               0.00000704173993
                   +1 :              -0.00000022874118
                   +2 :              -0.00000746725068
             17 vec=     7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001113373948
                2s
                   +0 :               0.00009330509152
                3s
                   +0 :              -0.00004391742537
                2p
                   -1 :               0.00001279731973
                   +0 :              -0.00000814807033
                   +1 :               0.00010394892774
                3p
                   -1 :              -0.00001074172169
                   +0 :              -0.00000461521053
                   +1 :              -0.00009301955163
                3d
                   -2 :              -0.00001304556697
                   -1 :               0.00000419622103
                   +0 :              -0.00000041840652
                   +1 :               0.00000981542155
                   +2 :              -0.00000552293787
             18 vec=     7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002355510497
                2s
                   +0 :               0.00017681219926
                3s
                   +0 :              -0.00004753007539
                2p
                   -1 :              -0.00000721830752
                   +0 :               0.00006644500667
                   +1 :               0.00010913295425
                3p
                   -1 :               0.00001913814358
                   +0 :               0.00000028383729
                   +1 :              -0.00006671452296
                3d
                   -2 :              -0.00000159614180
                   -1 :               0.00000840714261
                   +0 :               0.00000193665828
                   +1 :              -0.00000418025987
                   +2 :              -0.00000044753234
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 16)  npairs=  12
              1 vec=    -2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00382997417126
                2s
                   +0 :               0.09794777690966
                3s
                   +0 :              -0.00920505318485
                2p
                   -1 :               0.04938944307752
                   +0 :               0.00470972306637
                   +1 :              -0.04252536839321
                3p
                   -1 :              -0.00692681736641
                   +0 :              -0.00341077970480
                   +1 :               0.00792353233270
                3d
                   -2 :              -0.00242334635707
                   -1 :               0.00036375748652
                   +0 :              -0.00169186163181
                   +1 :               0.00090428021368
                   +2 :              -0.00192541280816
              2 vec=    -2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00131025401881
                2s
                   +0 :              -0.04482092061792
                3s
                   +0 :               0.00002920421153
                2p
                   -1 :               0.02890006948711
                   +0 :              -0.00103157511886
                   +1 :               0.01614495749935
                3p
                   -1 :               0.00326772518832
                   +0 :               0.00162438058137
                   +1 :              -0.00080597215004
                3d
                   -2 :              -0.00245702012929
                   -1 :              -0.00073079324371
                   +0 :               0.00155335978775
                   +1 :              -0.00038426165375
                   +2 :               0.00129120346055
              3 vec=     5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00131896586456
                2s
                   +0 :               0.00069865377044
                3s
                   +0 :              -0.00584521342248
                2p
                   -1 :              -0.00596409375736
                   +0 :               0.00212063286007
                   +1 :              -0.00336133363520
                3p
                   -1 :               0.00112672913712
                   +0 :              -0.00215622525377
                   +1 :              -0.00422271828090
                3d
                   -2 :              -0.00041527813501
                   -1 :              -0.00026990175984
                   +0 :               0.00050299510159
                   +1 :              -0.00004286841743
                   +2 :              -0.00094631446625
              4 vec=   -10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00029858233915
                2s
                   +0 :              -0.00204127538253
                3s
                   +0 :               0.00069236921405
                2p
                   -1 :              -0.00125028537487
                   +0 :              -0.00032871271481
                   +1 :               0.00134747305083
                3p
                   -1 :               0.00075773296785
                   +0 :               0.00021471539305
                   +1 :               0.00012312575389
                3d
                   -2 :              -0.00004889091796
                   -1 :              -0.00000751281910
                   +0 :               0.00025117116776
                   +1 :              -0.00004322740172
                   +2 :              -0.00016191595418
              5 vec=     5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00045895567363
                2s
                   +0 :               0.00518255308937
                3s
                   +0 :              -0.00032567050353
                2p
                   -1 :               0.00550489476392
                   +0 :               0.00022231579689
                   +1 :               0.00475526182699
                3p
                   -1 :              -0.00028943469838
                   +0 :               0.00012024135765
                   +1 :              -0.00018869765947
                3d
                   -2 :               0.00037315571972
                   -1 :               0.00008220379776
                   +0 :              -0.00022066568984
                   +1 :               0.00008347622193
                   +2 :              -0.00019834895010
              6 vec=     5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00075780794651
                2s
                   +0 :              -0.00660653024103
                3s
                   +0 :               0.00180180518376
                2p
                   -1 :               0.00528366324809
                   +0 :              -0.00116430302984
                   +1 :              -0.00378072451672
                3p
                   -1 :              -0.00164525734659
                   +0 :               0.00110753128983
                   +1 :               0.00113065715880
                3d
                   -2 :               0.00011946518677
                   -1 :              -0.00009523459806
                   +0 :               0.00007494850329
                   +1 :              -0.00003347774331
                   +2 :              -0.00000157734941
              7 vec=   -10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00009056004969
                2s
                   +0 :               0.00095876602672
                3s
                   +0 :              -0.00008770723246
                2p
                   -1 :              -0.00050000014356
                   +0 :               0.00014044250169
                   +1 :              -0.00018523895709
                3p
                   -1 :               0.00025491522260
                   +0 :              -0.00013917990741
                   +1 :              -0.00020027775317
                3d
                   -2 :               0.00002804888813
                   -1 :               0.00000575271375
                   +0 :              -0.00003035603438
                   +1 :               0.00002129756778
                   +2 :               0.00001583094886
              8 vec=    -2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00003747277561
                2s
                   +0 :               0.00089143371204
                3s
                   +0 :               0.00000066899036
                2p
                   -1 :               0.00018305442090
                   +0 :              -0.00008027027068
                   +1 :               0.00035253095850
                3p
                   -1 :               0.00020033742569
                   +0 :               0.00009877587289
                   +1 :              -0.00033875880841
                3d
                   -2 :              -0.00003814691718
                   -1 :              -0.00000403724165
                   +0 :              -0.00003183807638
                   +1 :               0.00001020008668
                   +2 :               0.00000541717271
              9 vec=   -10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00004070198110
                2s
                   +0 :              -0.00057056282214
                3s
                   +0 :               0.00012426134480
                2p
                   -1 :              -0.00017094089518
                   +0 :              -0.00006909365645
                   +1 :               0.00053317715016
                3p
                   -1 :              -0.00002934703117
                   +0 :               0.00005276810239
                   +1 :              -0.00012402380442
                3d
                   -2 :               0.00002347403814
                   -1 :               0.00001578353121
                   +0 :              -0.00000189820390
                   +1 :              -0.00001798276195
                   +2 :              -0.00003020391983
             10 vec=    13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00006334577530
                2s
                   +0 :               0.00065919930584
                3s
                   +0 :              -0.00012574278597
                2p
                   -1 :              -0.00030848327482
                   +0 :              -0.00004550328664
                   +1 :               0.00080804866843
                3p
                   -1 :               0.00014028611072
                   +0 :               0.00005531461288
                   +1 :              -0.00026624985040
                3d
                   -2 :              -0.00000043517386
                   -1 :               0.00001065487951
                   +0 :               0.00001255641788
                   +1 :               0.00000000190688
                   +2 :               0.00001418769369
             11 vec=    -2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00003181099978
                2s
                   +0 :              -0.00059412151649
                3s
                   +0 :               0.00009086255495
                2p
                   -1 :               0.00026207451967
                   +0 :               0.00014772256734
                   +1 :               0.00008679957187
                3p
                   -1 :               0.00004480924940
                   +0 :              -0.00012169446851
                   +1 :              -0.00003588963670
                3d
                   -2 :              -0.00000597888327
                   -1 :               0.00000016444902
                   +0 :               0.00000846469470
                   +1 :              -0.00000692394408
                   +2 :              -0.00001117858926
             12 vec=    13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00005727763039
                2s
                   +0 :              -0.00050223627376
                3s
                   +0 :               0.00016497651026
                2p
                   -1 :               0.00028342690526
                   +0 :              -0.00001740818889
                   +1 :              -0.00020846141614
                3p
                   -1 :              -0.00019241439245
                   +0 :               0.00002599234746
                   +1 :               0.00007058261316
                3d
                   -2 :              -0.00000988484327
                   -1 :               0.00000776776959
                   +0 :              -0.00001971607371
                   +1 :               0.00000476518056
                   +2 :               0.00000521876916
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 17)  npairs=  12
              1 vec=     2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00382979122565
                2s
                   +0 :               0.09794819281591
                3s
                   +0 :              -0.00919968684880
                2p
                   -1 :               0.04940399066979
                   +0 :              -0.00455917790798
                   +1 :               0.04253768953435
                3p
                   -1 :              -0.00693902197758
                   +0 :               0.00338523950322
                   +1 :              -0.00793378696393
                3d
                   -2 :               0.00242259497884
                   -1 :              -0.00036663378612
                   +0 :              -0.00169085239410
                   +1 :               0.00089882317224
                   +2 :              -0.00192629209047
              2 vec=    -5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00131648576087
                2s
                   +0 :               0.00068133612296
                3s
                   +0 :              -0.00583270543019
                2p
                   -1 :              -0.00597898407463
                   +0 :              -0.00214393640225
                   +1 :               0.00334477234901
                3p
                   -1 :               0.00113833477929
                   +0 :               0.00217699269390
                   +1 :               0.00424035282803
                3d
                   -2 :               0.00041433198903
                   -1 :               0.00026981285294
                   +0 :               0.00050592976359
                   +1 :              -0.00004527030361
                   +2 :              -0.00094532515875
              3 vec=     2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00131029888509
                2s
                   +0 :              -0.04479272891625
                3s
                   +0 :               0.00002365656806
                2p
                   -1 :               0.02886684535079
                   +0 :               0.00094070198109
                   +1 :              -0.01610593549446
                3p
                   -1 :               0.00328997394127
                   +0 :              -0.00163194303086
                   +1 :               0.00077295125249
                3d
                   -2 :               0.00245882493697
                   -1 :               0.00073033353120
                   +0 :               0.00155234343571
                   +1 :              -0.00038876435299
                   +2 :               0.00129256515084
              4 vec=    -5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00045714755627
                2s
                   +0 :               0.00517833253026
                3s
                   +0 :              -0.00032192669257
                2p
                   -1 :               0.00551367889355
                   +0 :              -0.00017044794636
                   +1 :              -0.00475464632675
                3p
                   -1 :              -0.00029459164496
                   +0 :              -0.00014022911478
                   +1 :               0.00018635266504
                3d
                   -2 :              -0.00037199281452
                   -1 :              -0.00008244940190
                   +0 :              -0.00022232434018
                   +1 :               0.00008420274260
                   +2 :              -0.00019835834887
              5 vec=    10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00029613344437
                2s
                   +0 :              -0.00202886603203
                3s
                   +0 :               0.00068074263201
                2p
                   -1 :              -0.00123865850263
                   +0 :               0.00031618934542
                   +1 :              -0.00132866126574
                3p
                   -1 :               0.00074781432051
                   +0 :              -0.00020757589859
                   +1 :              -0.00013938073260
                3d
                   -2 :               0.00004898617198
                   -1 :               0.00000848973652
                   +0 :               0.00025012032641
                   +1 :              -0.00004244453853
                   +2 :              -0.00016290368238
              6 vec=    -5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00075804719218
                2s
                   +0 :              -0.00660613567507
                3s
                   +0 :               0.00180240390216
                2p
                   -1 :               0.00527652467450
                   +0 :               0.00114942796288
                   +1 :               0.00377718909349
                3p
                   -1 :              -0.00163785561918
                   +0 :              -0.00111645642341
                   +1 :              -0.00112711741581
                3d
                   -2 :              -0.00012106429660
                   -1 :               0.00009503839793
                   +0 :               0.00007536512585
                   +1 :              -0.00003357005385
                   +2 :              -0.00000024229914
              7 vec=     2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00003868499353
                2s
                   +0 :               0.00090049295694
                3s
                   +0 :              -0.00000532694264
                2p
                   -1 :               0.00019479958764
                   +0 :               0.00009684402577
                   +1 :              -0.00034022179596
                3p
                   -1 :               0.00018964386703
                   +0 :              -0.00010690391886
                   +1 :               0.00032844345113
                3d
                   -2 :               0.00003855865641
                   -1 :               0.00000401548979
                   +0 :              -0.00003329949794
                   +1 :               0.00000996100054
                   +2 :               0.00000625182801
              8 vec=    10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00009122798088
                2s
                   +0 :               0.00096041980979
                3s
                   +0 :              -0.00009030597562
                2p
                   -1 :              -0.00049660525836
                   +0 :              -0.00013107960459
                   +1 :               0.00018427230178
                3p
                   -1 :               0.00025120747208
                   +0 :               0.00014119601402
                   +1 :               0.00020082163574
                3d
                   -2 :              -0.00002763456412
                   -1 :              -0.00000585660525
                   +0 :              -0.00003081248426
                   +1 :               0.00002202481724
                   +2 :               0.00001622526193
              9 vec=   -13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00006193841835
                2s
                   +0 :               0.00065067155369
                3s
                   +0 :              -0.00012057184372
                2p
                   -1 :              -0.00030709814565
                   +0 :               0.00003946667375
                   +1 :              -0.00080757189616
                3p
                   -1 :               0.00013964049400
                   +0 :              -0.00005438447297
                   +1 :               0.00026638489337
                3d
                   -2 :               0.00000089936896
                   -1 :              -0.00001057200767
                   +0 :               0.00001285976964
                   +1 :               0.00000069079423
                   +2 :               0.00001411653126
             10 vec=    10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00003831669653
                2s
                   +0 :              -0.00055442774700
                3s
                   +0 :               0.00011568421665
                2p
                   -1 :              -0.00017278428844
                   +0 :               0.00005967792591
                   +1 :              -0.00052202294309
                3p
                   -1 :              -0.00002851994805
                   +0 :              -0.00004796333793
                   +1 :               0.00011387847291
                3d
                   -2 :              -0.00002347063869
                   -1 :              -0.00001620653050
                   +0 :              -0.00000282903866
                   +1 :              -0.00001849373759
                   +2 :              -0.00003044708260
             11 vec=   -13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00005676856589
                2s
                   +0 :              -0.00049771281917
                3s
                   +0 :               0.00016300597560
                2p
                   -1 :               0.00029015679139
                   +0 :               0.00002284773828
                   +1 :               0.00021735913753
                3p
                   -1 :              -0.00020036353449
                   +0 :              -0.00003352775587
                   +1 :              -0.00007809435467
                3d
                   -2 :               0.00001040895445
                   -1 :              -0.00000768286871
                   +0 :              -0.00002019976687
                   +1 :               0.00000444815174
                   +2 :               0.00000519982459
             12 vec=     2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00003161435086
                2s
                   +0 :              -0.00059462685574
                3s
                   +0 :               0.00008915259518
                2p
                   -1 :               0.00025364704706
                   +0 :              -0.00014352314286
                   +1 :              -0.00008779532138
                3p
                   -1 :               0.00005322458858
                   +0 :               0.00011776096176
                   +1 :               0.00003679079881
                3d
                   -2 :               0.00000608322415
                   -1 :              -0.00000003668026
                   +0 :               0.00000865981795
                   +1 :              -0.00000728134112
                   +2 :              -0.00001108489318
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 18)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00167810288166
                2s
                   +0 :               0.00262758121205
                3s
                   +0 :               0.00719008035282
                2p
                   -1 :               0.86330400558114
                   +0 :               0.00012187155122
                   +1 :              -0.00004646499753
                3p
                   -1 :              -0.03627501041096
                   +0 :              -0.00006917555959
                   +1 :               0.00002944377976
                3d
                   -2 :               0.00000019474435
                   -1 :              -0.00003580810080
                   +0 :               0.00151429537219
                   +1 :              -0.00217429452639
                   +2 :              -0.00417516683997
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00021728799642
                2s
                   +0 :               0.00178251364287
                3s
                   +0 :              -0.00104419629884
                2p
                   -1 :              -0.00213134119665
                   +0 :               0.00019691846852
                   +1 :              -0.00089005306474
                3p
                   -1 :               0.00129277742628
                   +0 :              -0.00012826490292
                   +1 :               0.00138594233900
                3d
                   -2 :              -0.00016578617529
                   -1 :               0.00011449410223
                   +0 :              -0.00008127732731
                   +1 :               0.00000531990736
                   +2 :              -0.00000026268158
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00011100795780
                2s
                   +0 :              -0.00044493810719
                3s
                   +0 :               0.00079516943171
                2p
                   -1 :              -0.00142025172179
                   +0 :               0.00114507266136
                   +1 :              -0.00151679340781
                3p
                   -1 :               0.00027722171476
                   +0 :              -0.00097451589983
                   +1 :              -0.00115360466669
                3d
                   -2 :               0.00012996156272
                   -1 :              -0.00004421024884
                   +0 :              -0.00012659702083
                   +1 :              -0.00002947223990
                   +2 :               0.00029450128734
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00055297189004
                2s
                   +0 :              -0.00197976934438
                3s
                   +0 :               0.00027579739356
                2p
                   -1 :               0.00165332422416
                   +0 :               0.00000369067171
                   +1 :              -0.00000166310775
                3p
                   -1 :               0.00033821797899
                   +0 :              -0.00001776562466
                   +1 :               0.00000226585340
                3d
                   -2 :              -0.00000005755848
                   -1 :               0.00000184422653
                   +0 :               0.00012184603423
                   +1 :               0.00022583423871
                   +2 :              -0.00018112091395
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00013945474642
                2s
                   +0 :               0.00119594183157
                3s
                   +0 :               0.00012916454712
                2p
                   -1 :               0.00413809771090
                   +0 :               0.00001866257380
                   +1 :               0.00000174714535
                3p
                   -1 :              -0.00158366894019
                   +0 :              -0.00000816624257
                   +1 :               0.00000000831376
                3d
                   -2 :              -0.00000017873534
                   -1 :              -0.00000124950355
                   +0 :               0.00005512807004
                   +1 :              -0.00002594325889
                   +2 :               0.00016006597678
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00021724270787
                2s
                   +0 :               0.00178566346906
                3s
                   +0 :              -0.00104197530655
                2p
                   -1 :              -0.00212403450729
                   +0 :              -0.00021635456751
                   +1 :               0.00087579359634
                3p
                   -1 :               0.00128672459346
                   +0 :               0.00014202628948
                   +1 :              -0.00137157979555
                3d
                   -2 :               0.00016551753872
                   -1 :              -0.00011502671613
                   +0 :              -0.00008076982689
                   +1 :               0.00000529502745
                   +2 :               0.00000093974437
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00010944585425
                2s
                   +0 :              -0.00043624361389
                3s
                   +0 :               0.00079246524443
                2p
                   -1 :              -0.00142917585899
                   +0 :              -0.00111509882392
                   +1 :               0.00152439892881
                3p
                   -1 :               0.00028424332277
                   +0 :               0.00096877584729
                   +1 :               0.00115009187328
                3d
                   -2 :              -0.00013030175930
                   -1 :               0.00004423281582
                   +0 :              -0.00012567222182
                   +1 :              -0.00002866868586
                   +2 :               0.00029553992649
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002166819145
                2s
                   +0 :              -0.00021615978190
                3s
                   +0 :               0.00006377268444
                2p
                   -1 :              -0.00025721351318
                   +0 :               0.00002013097810
                   +1 :               0.00037180735917
                3p
                   -1 :               0.00012770835352
                   +0 :              -0.00001946893124
                   +1 :              -0.00016852776218
                3d
                   -2 :              -0.00000856656259
                   -1 :               0.00001076765664
                   +0 :              -0.00000868012528
                   +1 :              -0.00000246537509
                   +2 :              -0.00000735426626
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001688238750
                2s
                   +0 :              -0.00065738267922
                3s
                   +0 :              -0.00002186763025
                2p
                   -1 :               0.00098107492526
                   +0 :               0.00021345506303
                   +1 :               0.00036428442665
                3p
                   -1 :              -0.00025063904621
                   +0 :              -0.00022228861024
                   +1 :               0.00000358395657
                3d
                   -2 :              -0.00003446708135
                   -1 :               0.00002378474926
                   +0 :               0.00000729125495
                   +1 :               0.00003369419082
                   +2 :              -0.00000439254788
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00012711097576
                2s
                   +0 :               0.00133429666894
                3s
                   +0 :              -0.00026603286420
                2p
                   -1 :               0.00104011425294
                   +0 :              -0.00021454123790
                   +1 :              -0.00066915797362
                3p
                   -1 :              -0.00015981545245
                   +0 :               0.00020630469020
                   +1 :               0.00016729662789
                3d
                   -2 :              -0.00003352080348
                   -1 :              -0.00000504877485
                   +0 :              -0.00002762369765
                   +1 :              -0.00002123877958
                   +2 :              -0.00003885195810
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001775578195
                2s
                   +0 :              -0.00066359047160
                3s
                   +0 :              -0.00001867330698
                2p
                   -1 :               0.00098263283572
                   +0 :              -0.00021604936918
                   +1 :              -0.00036861182935
                3p
                   -1 :              -0.00025154792988
                   +0 :               0.00021908166005
                   +1 :               0.00000021422072
                3d
                   -2 :               0.00003413644767
                   -1 :              -0.00002307995218
                   +0 :               0.00000757833863
                   +1 :               0.00003359649200
                   +2 :              -0.00000424729096
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00012504923251
                2s
                   +0 :               0.00132025554725
                3s
                   +0 :              -0.00026022041895
                2p
                   -1 :               0.00104492225434
                   +0 :               0.00020230173729
                   +1 :               0.00065822005907
                3p
                   -1 :              -0.00016482967465
                   +0 :              -0.00019482737874
                   +1 :              -0.00015839819439
                3d
                   -2 :               0.00003318861442
                   -1 :               0.00000536811960
                   +0 :              -0.00002761995372
                   +1 :              -0.00002172810219
                   +2 :              -0.00003887409203
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002273423434
                2s
                   +0 :              -0.00022518492558
                3s
                   +0 :               0.00006559416806
                2p
                   -1 :              -0.00026139237437
                   +0 :              -0.00002982343473
                   +1 :              -0.00037789262563
                3p
                   -1 :               0.00013118596667
                   +0 :               0.00002722537892
                   +1 :               0.00017145860144
                3d
                   -2 :               0.00000902102814
                   -1 :              -0.00001136300049
                   +0 :              -0.00000865606589
                   +1 :              -0.00000210039991
                   +2 :              -0.00000721695812
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001062563058
                2s
                   +0 :              -0.00011450599017
                3s
                   +0 :               0.00002772370647
                2p
                   -1 :               0.00004858025209
                   +0 :              -0.00001276577033
                   +1 :               0.00013012172253
                3p
                   -1 :              -0.00003066539170
                   +0 :               0.00000406559333
                   +1 :              -0.00003496005379
                3d
                   -2 :               0.00000467693622
                   -1 :              -0.00000314659887
                   +0 :               0.00000184297696
                   +1 :               0.00000137060119
                   +2 :              -0.00000159411439
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000796294036
                2s
                   +0 :               0.00010267440681
                3s
                   +0 :              -0.00002185514401
                2p
                   -1 :              -0.00000195525101
                   +0 :               0.00002884128883
                   +1 :              -0.00006747521783
                3p
                   -1 :               0.00001381428131
                   +0 :              -0.00002239977802
                   +1 :              -0.00001300878847
                3d
                   -2 :               0.00000154976875
                   -1 :              -0.00000276790204
                   +0 :               0.00000000724716
                   +1 :              -0.00000255814502
                   +2 :               0.00000107159351
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001231812450
                2s
                   +0 :              -0.00011197211268
                3s
                   +0 :               0.00000704314782
                2p
                   -1 :               0.00006181283737
                   +0 :              -0.00000324133301
                   +1 :               0.00000074424428
                3p
                   -1 :               0.00002959452617
                   +0 :               0.00000143215886
                   +1 :              -0.00000082455770
                3d
                   -2 :               0.00000007772366
                   -1 :               0.00000006562091
                   +0 :              -0.00000091018334
                   +1 :               0.00000349022978
                   +2 :              -0.00000368865790
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001170354517
                2s
                   +0 :               0.00012464490611
                3s
                   +0 :              -0.00001430095486
                2p
                   -1 :               0.00013405385934
                   +0 :              -0.00000788350560
                   +1 :              -0.00000285028784
                3p
                   -1 :              -0.00002627311564
                   +0 :               0.00000566489721
                   +1 :               0.00000252461250
                3d
                   -2 :               0.00000022888077
                   -1 :               0.00000006079807
                   +0 :              -0.00000030998511
                   +1 :              -0.00000037429592
                   +2 :               0.00000014288780
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001059338701
                2s
                   +0 :              -0.00011416724307
                3s
                   +0 :               0.00002760766490
                2p
                   -1 :               0.00004989461125
                   +0 :               0.00001548235745
                   +1 :              -0.00013029856561
                3p
                   -1 :              -0.00003159505459
                   +0 :              -0.00000641858003
                   +1 :               0.00003556661958
                3d
                   -2 :              -0.00000477587881
                   -1 :               0.00000321187345
                   +0 :               0.00000166603455
                   +1 :               0.00000129593663
                   +2 :              -0.00000154567411
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000671433931
                2s
                   +0 :               0.00009491446219
                3s
                   +0 :              -0.00001856504805
                2p
                   -1 :               0.00000046897594
                   +0 :              -0.00003264819748
                   +1 :               0.00006497124273
                3p
                   -1 :               0.00001139226285
                   +0 :               0.00002542266576
                   +1 :               0.00001489012389
                3d
                   -2 :              -0.00000167497813
                   -1 :               0.00000268871806
                   +0 :               0.00000003818473
                   +1 :              -0.00000249248670
                   +2 :               0.00000080649702
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 19)  npairs=  14
              1 vec=    -0.209286     -3.115717     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00165541071606
                2s
                   +0 :              -0.04266399672853
                3s
                   +0 :               0.00259042774351
                2p
                   -1 :               0.01571249721255
                   +0 :               0.02428574817312
                   +1 :              -0.00355047246357
                3p
                   -1 :              -0.00278357800729
                   +0 :               0.00124313625156
                   +1 :               0.00302598821941
                3d
                   -2 :              -0.00027939266395
                   -1 :              -0.00189987655512
                   +0 :              -0.00181383664079
                   +1 :              -0.00053316690281
                   +2 :               0.00041879531470
              2 vec=    -0.209286      5.868041     -4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00170160926841
                2s
                   +0 :               0.01057429210854
                3s
                   +0 :              -0.00567625460434
                2p
                   -1 :               0.01063397312395
                   +0 :              -0.00025138715703
                   +1 :               0.00103576205934
                3p
                   -1 :              -0.00831298887535
                   +0 :              -0.00068194223733
                   +1 :              -0.00128277424222
                3d
                   -2 :              -0.00011187819651
                   -1 :               0.00026308297284
                   +0 :               0.00028796921712
                   +1 :              -0.00003788070112
                   +2 :               0.00054942034945
              3 vec=     7.570876      1.376162     -4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00017783660418
                2s
                   +0 :               0.00094448228457
                3s
                   +0 :              -0.00033224610138
                2p
                   -1 :               0.00052739821677
                   +0 :               0.00254825979425
                   +1 :               0.00245253527086
                3p
                   -1 :              -0.00064426844786
                   +0 :              -0.00108619402125
                   +1 :              -0.00105164857361
                3d
                   -2 :              -0.00008685137990
                   -1 :               0.00019021813466
                   +0 :              -0.00009609571884
                   +1 :               0.00004566240435
                   +2 :               0.00004187306510
              4 vec=    -7.989449      1.376162     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00000583798026
                2s
                   +0 :               0.00010223489702
                3s
                   +0 :              -0.00002442405307
                2p
                   -1 :              -0.00063929381763
                   +0 :               0.00086205088741
                   +1 :              -0.00360678262136
                3p
                   -1 :               0.00032832806393
                   +0 :              -0.00009250159072
                   +1 :               0.00288062618053
                3d
                   -2 :               0.00000390472418
                   -1 :              -0.00007283448089
                   +0 :               0.00000766034441
                   +1 :              -0.00007137228532
                   +2 :              -0.00007572152039
              5 vec=     7.570876     -7.607596     -4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00014765891995
                2s
                   +0 :              -0.00125009293399
                3s
                   +0 :               0.00053137945648
                2p
                   -1 :               0.00058665277178
                   +0 :               0.00005069429661
                   +1 :              -0.00117195054975
                3p
                   -1 :              -0.00037130353025
                   +0 :               0.00014067211807
                   +1 :               0.00082200613373
                3d
                   -2 :              -0.00003232622139
                   -1 :              -0.00005955415033
                   +0 :               0.00002018894992
                   +1 :              -0.00000790139717
                   +2 :               0.00004962141991
              6 vec=    -7.989449     -7.607596     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00002363248502
                2s
                   +0 :              -0.00019593048374
                3s
                   +0 :              -0.00004420900655
                2p
                   -1 :              -0.00065246697693
                   +0 :               0.00014834590470
                   +1 :               0.00015897359932
                3p
                   -1 :               0.00061887204216
                   +0 :              -0.00000971301104
                   +1 :               0.00007703750730
                3d
                   -2 :              -0.00009383159218
                   -1 :               0.00004279281050
                   +0 :               0.00001629623738
                   +1 :              -0.00001998020549
                   +2 :               0.00002837867143
              7 vec=    -0.209286    -12.099475     -4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00004042742135
                2s
                   +0 :              -0.00078174140501
                3s
                   +0 :               0.00012603300057
                2p
                   -1 :               0.00014381587053
                   +0 :              -0.00010880175867
                   +1 :              -0.00037499114401
                3p
                   -1 :              -0.00002883961173
                   +0 :               0.00013587750526
                   +1 :               0.00024557384349
                3d
                   -2 :              -0.00003450744738
                   -1 :              -0.00000266012472
                   +0 :              -0.00002161230247
                   +1 :               0.00001749209200
                   +2 :              -0.00000335258372
              8 vec=     7.570876     10.359920     -4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00002229458318
                2s
                   +0 :               0.00059906883168
                3s
                   +0 :               0.00002064938035
                2p
                   -1 :              -0.00023830825285
                   +0 :              -0.00053026846568
                   +1 :               0.00076372586941
                3p
                   -1 :               0.00017914780604
                   +0 :               0.00007568852675
                   +1 :              -0.00056796821260
                3d
                   -2 :              -0.00000213671612
                   -1 :               0.00000069528958
                   +0 :               0.00001801328500
                   +1 :              -0.00001906973181
                   +2 :              -0.00002063919683
              9 vec=    -7.989449     10.359920     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00006426362401
                2s
                   +0 :               0.00071155500793
                3s
                   +0 :              -0.00008945566285
                2p
                   -1 :               0.00011713081421
                   +0 :              -0.00042994816217
                   +1 :               0.00008574467869
                3p
                   -1 :              -0.00010380722292
                   +0 :               0.00004252402018
                   +1 :              -0.00022506902578
                3d
                   -2 :               0.00001886363941
                   -1 :               0.00002213798703
                   +0 :               0.00002163881880
                   +1 :               0.00002975567758
                   +2 :               0.00001294451317
             10 vec=    -0.209286     14.851799     -4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00003524302128
                2s
                   +0 :               0.00025477586209
                3s
                   +0 :              -0.00006274483522
                2p
                   -1 :               0.00017128775908
                   +0 :              -0.00008539470799
                   +1 :              -0.00006797248453
                3p
                   -1 :              -0.00003521041114
                   +0 :               0.00003722039010
                   +1 :               0.00005078204214
                3d
                   -2 :               0.00001157411876
                   -1 :               0.00000177820770
                   +0 :               0.00000274008187
                   +1 :              -0.00000227634936
                   +2 :              -0.00000889614719
             11 vec=    15.351039     -3.115717     -4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00001289987755
                2s
                   +0 :              -0.00010053049855
                3s
                   +0 :               0.00005781413768
                2p
                   -1 :              -0.00000760529192
                   +0 :               0.00005867050747
                   +1 :              -0.00008543890437
                3p
                   -1 :              -0.00001557646082
                   +0 :              -0.00004880029450
                   +1 :               0.00004197470529
                3d
                   -2 :              -0.00000240681261
                   -1 :               0.00000323897498
                   +0 :               0.00000836100866
                   +1 :              -0.00000784007168
                   +2 :              -0.00000198744628
             12 vec=   -15.769612     -3.115717     -4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00000783307659
                2s
                   +0 :              -0.00005345913396
                3s
                   +0 :               0.00001457966643
                2p
                   -1 :              -0.00002436541916
                   +0 :              -0.00003871034511
                   +1 :               0.00006713021752
                3p
                   -1 :               0.00000543826551
                   +0 :               0.00004380641793
                   +1 :              -0.00002562623322
                3d
                   -2 :              -0.00000663498944
                   -1 :              -0.00000031959202
                   +0 :               0.00000538214450
                   +1 :              -0.00000547052339
                   +2 :              -0.00000170118419
             13 vec=    15.351039      5.868041     -4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00001066121796
                2s
                   +0 :               0.00007406163283
                3s
                   +0 :              -0.00001408289549
                2p
                   -1 :              -0.00004049419003
                   +0 :               0.00001251051147
                   +1 :               0.00008332410402
                3p
                   -1 :               0.00003677431517
                   +0 :              -0.00002521487970
                   +1 :              -0.00004195576433
                3d
                   -2 :               0.00000751630538
                   -1 :               0.00000191681096
                   +0 :               0.00000204560163
                   +1 :               0.00000303594938
                   +2 :              -0.00000344191433
             14 vec=   -15.769612      5.868041     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000689248319
                2s
                   +0 :              -0.00001399833458
                3s
                   +0 :               0.00003102810612
                2p
                   -1 :              -0.00006735875670
                   +0 :              -0.00001200330448
                   +1 :              -0.00000235981805
                3p
                   -1 :               0.00007656661717
                   +0 :              -0.00001135989498
                   +1 :              -0.00002724905127
                3d
                   -2 :              -0.00000777028315
                   -1 :              -0.00000318941575
                   +0 :               0.00000211063702
                   +1 :              -0.00000254934285
                   +2 :              -0.00000212058995
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 20)  npairs=  14
              1 vec=     2.802674      1.376162     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00116340735172
                2s
                   +0 :               0.00891969294107
                3s
                   +0 :               0.00363216006478
                2p
                   -1 :              -0.00165605932254
                   +0 :              -0.01071887036196
                   +1 :               0.00063265728603
                3p
                   -1 :              -0.00125552549199
                   +0 :               0.00116348640751
                   +1 :               0.00782126270907
                3d
                   -2 :              -0.00014036358362
                   -1 :               0.00014558366365
                   +0 :              -0.00004280649093
                   +1 :              -0.00147358091482
                   +2 :               0.00089904566712
              2 vec=    -4.977489     -3.115717     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00075382401061
                2s
                   +0 :              -0.00728824535258
                3s
                   +0 :               0.00322860212561
                2p
                   -1 :               0.00777580890765
                   +0 :               0.00719089575849
                   +1 :               0.00853899681937
                3p
                   -1 :              -0.00700840996516
                   +0 :              -0.00461822695862
                   +1 :              -0.00591075824989
                3d
                   -2 :               0.00062435600525
                   -1 :               0.00045800281632
                   +0 :               0.00019782237221
                   +1 :               0.00050168050314
                   +2 :               0.00020434588308
              3 vec=    -4.977489      5.868041     -4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00028726477003
                2s
                   +0 :               0.00168305954014
                3s
                   +0 :              -0.00065284385702
                2p
                   -1 :              -0.00081181908890
                   +0 :              -0.00336138859559
                   +1 :              -0.00208785599551
                3p
                   -1 :               0.00030289442085
                   +0 :               0.00025928797076
                   +1 :               0.00083187234669
                3d
                   -2 :               0.00001430062113
                   -1 :               0.00008791320443
                   +0 :               0.00022291853923
                   +1 :               0.00014515334398
                   +2 :              -0.00004682000789
              4 vec=     2.802674     -7.607596     -4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00013310948811
                2s
                   +0 :              -0.00060126829246
                3s
                   +0 :              -0.00006736592129
                2p
                   -1 :               0.00111678443050
                   +0 :               0.00179800383693
                   +1 :               0.00193154999191
                3p
                   -1 :              -0.00043592462458
                   +0 :               0.00001138628226
                   +1 :              -0.00174073500840
                3d
                   -2 :               0.00003326844050
                   -1 :              -0.00008063488612
                   +0 :              -0.00005469969620
                   +1 :              -0.00001452902376
                   +2 :               0.00005068116080
              5 vec=     2.802674     10.359920     -4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00022400273035
                2s
                   +0 :              -0.00093704599116
                3s
                   +0 :               0.00084028477116
                2p
                   -1 :              -0.00095538732022
                   +0 :              -0.00051242700391
                   +1 :              -0.00090995615478
                3p
                   -1 :               0.00126430150532
                   +0 :               0.00001122298903
                   +1 :               0.00088141879577
                3d
                   -2 :               0.00007265213334
                   -1 :               0.00001335926586
                   +0 :               0.00000605678393
                   +1 :               0.00003509938773
                   +2 :              -0.00003356727930
              6 vec=    10.582837     -3.115717     -4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00002088242105
                2s
                   +0 :               0.00018152720154
                3s
                   +0 :              -0.00016891671928
                2p
                   -1 :               0.00000609111450
                   +0 :               0.00026273653092
                   +1 :               0.00009560948239
                3p
                   -1 :              -0.00012923878811
                   +0 :              -0.00022250062611
                   +1 :              -0.00019871378707
                3d
                   -2 :               0.00000988718195
                   -1 :              -0.00000216888218
                   +0 :               0.00004709285719
                   +1 :              -0.00000100818506
                   +2 :              -0.00005104904017
              7 vec=    10.582837      5.868041     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00005122543110
                2s
                   +0 :              -0.00004056542330
                3s
                   +0 :               0.00022303962554
                2p
                   -1 :               0.00002156875205
                   +0 :              -0.00009312434642
                   +1 :              -0.00065409015646
                3p
                   -1 :               0.00011124447641
                   +0 :              -0.00003709960911
                   +1 :               0.00061191996389
                3d
                   -2 :               0.00001511147905
                   -1 :              -0.00002815886182
                   +0 :              -0.00000929998750
                   +1 :              -0.00000044871752
                   +2 :              -0.00000510477890
              8 vec=   -12.757651      1.376162     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00006262073860
                2s
                   +0 :              -0.00028464272862
                3s
                   +0 :               0.00016064216718
                2p
                   -1 :               0.00044149473910
                   +0 :              -0.00018441943298
                   +1 :               0.00025293970689
                3p
                   -1 :              -0.00041903048883
                   +0 :               0.00016338535640
                   +1 :              -0.00030318190467
                3d
                   -2 :               0.00005114722056
                   -1 :               0.00000148891979
                   +0 :               0.00000137316976
                   +1 :              -0.00003811452136
                   +2 :               0.00001991369911
              9 vec=    -4.977489    -12.099475     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00003522487204
                2s
                   +0 :              -0.00024487358037
                3s
                   +0 :              -0.00015527367037
                2p
                   -1 :               0.00063239634514
                   +0 :              -0.00000711049133
                   +1 :               0.00058957711573
                3p
                   -1 :              -0.00040359947082
                   +0 :               0.00006807968507
                   +1 :              -0.00045047459954
                3d
                   -2 :               0.00002729705440
                   -1 :               0.00003170341363
                   +0 :              -0.00002134437109
                   +1 :               0.00000397927458
                   +2 :               0.00001268124606
             10 vec=   -12.757651     -7.607596     -4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00002856764300
                2s
                   +0 :               0.00016008743991
                3s
                   +0 :              -0.00014654270902
                2p
                   -1 :              -0.00006108136579
                   +0 :               0.00000491528547
                   +1 :              -0.00014812016813
                3p
                   -1 :               0.00004175141108
                   +0 :               0.00002329056479
                   +1 :               0.00017724533831
                3d
                   -2 :              -0.00000308587983
                   -1 :               0.00000666698469
                   +0 :              -0.00000779031774
                   +1 :              -0.00001037620611
                   +2 :              -0.00001105947942
             11 vec=    -4.977489     14.851799     -4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00000345244798
                2s
                   +0 :               0.00003250365171
                3s
                   +0 :               0.00006135864819
                2p
                   -1 :              -0.00011263960014
                   +0 :              -0.00005659773162
                   +1 :              -0.00005179910904
                3p
                   -1 :               0.00023803641385
                   +0 :              -0.00002911590580
                   +1 :               0.00000379046291
                3d
                   -2 :              -0.00001302675442
                   -1 :              -0.00000936949701
                   +0 :              -0.00001579140220
                   +1 :              -0.00000130113974
                   +2 :              -0.00001592717922
             12 vec=    10.582837    -12.099475     -4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00000608838848
                2s
                   +0 :              -0.00008423416522
                3s
                   +0 :               0.00002722448682
                2p
                   -1 :              -0.00000909713414
                   +0 :              -0.00007666834657
                   +1 :              -0.00004021825157
                3p
                   -1 :               0.00004248499047
                   +0 :               0.00007374412395
                   +1 :              -0.00001744827081
                3d
                   -2 :               0.00000833867578
                   -1 :               0.00000254684226
                   +0 :               0.00000072648486
                   +1 :              -0.00000592925929
                   +2 :               0.00001338364184
             13 vec=   -12.757651     10.359920     -4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00002098677356
                2s
                   +0 :               0.00012771162210
                3s
                   +0 :              -0.00005526358081
                2p
                   -1 :               0.00008621720097
                   +0 :               0.00007639818605
                   +1 :              -0.00006726426270
                3p
                   -1 :              -0.00005742286101
                   +0 :              -0.00005276246174
                   +1 :               0.00002699280591
                3d
                   -2 :               0.00000062334387
                   -1 :               0.00000260804495
                   +0 :               0.00000071755199
                   +1 :               0.00000036432972
                   +2 :               0.00000209133666
             14 vec=     2.802674    -16.591354     -4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00001603642336
                2s
                   +0 :              -0.00013526738055
                3s
                   +0 :               0.00004465542204
                2p
                   -1 :               0.00011810722443
                   +0 :               0.00006110731313
                   +1 :               0.00010118566234
                3p
                   -1 :              -0.00004844355045
                   +0 :              -0.00003674978049
                   +1 :              -0.00008402318326
                3d
                   -2 :               0.00000115690226
                   -1 :               0.00000239585995
                   +0 :               0.00000104352111
                   +1 :               0.00000457523016
                   +2 :               0.00000545204576
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 21)  npairs=  14
              1 vec=    -2.593388      1.013667     -4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00018752636775
                2s
                   +0 :               0.01596664809364
                3s
                   +0 :               0.00017360372483
                2p
                   -1 :              -0.00605873580195
                   +0 :              -0.01341048637146
                   +1 :              -0.00502195150419
                3p
                   -1 :              -0.00049901570525
                   +0 :               0.00430474963631
                   +1 :              -0.00397277303418
                3d
                   -2 :               0.00041776244872
                   -1 :               0.00116219317312
                   +0 :              -0.00018369064347
                   +1 :               0.00058261703742
                   +2 :               0.00110767160278
              2 vec=     5.186775     -3.478212     -4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00020889502933
                2s
                   +0 :               0.00111791522169
                3s
                   +0 :              -0.00071355717807
                2p
                   -1 :              -0.00108099210283
                   +0 :              -0.00237629062785
                   +1 :              -0.00328016917449
                3p
                   -1 :               0.00122923170231
                   +0 :               0.00279777653852
                   +1 :               0.00196748086821
                3d
                   -2 :              -0.00010369282015
                   -1 :               0.00018336303794
                   +0 :              -0.00016803504063
                   +1 :              -0.00014137035384
                   +2 :               0.00011130329591
              3 vec=     5.186775      5.505546     -4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00050824956164
                2s
                   +0 :               0.00262762549191
                3s
                   +0 :              -0.00117422295906
                2p
                   -1 :               0.00097793765720
                   +0 :              -0.00239006119421
                   +1 :               0.00224462826059
                3p
                   -1 :              -0.00084714849910
                   +0 :               0.00005812102282
                   +1 :              -0.00129102421628
                3d
                   -2 :              -0.00019417503038
                   -1 :               0.00024322672889
                   +0 :               0.00030129737690
                   +1 :               0.00005326916616
                   +2 :              -0.00005081101465
              4 vec=    -2.593388     -7.970091     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00057303823050
                2s
                   +0 :              -0.00349901268644
                3s
                   +0 :               0.00113341188721
                2p
                   -1 :               0.00066134413364
                   +0 :               0.00180931403819
                   +1 :               0.00024591168752
                3p
                   -1 :               0.00040431029915
                   +0 :              -0.00047587079665
                   +1 :              -0.00004866115815
                3d
                   -2 :               0.00002428711060
                   -1 :               0.00003919835508
                   +0 :              -0.00011266848872
                   +1 :               0.00015239771980
                   +2 :              -0.00007205155883
              5 vec=    -2.593388      9.997425     -4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00011905125650
                2s
                   +0 :              -0.00002071554879
                3s
                   +0 :               0.00027712052862
                2p
                   -1 :               0.00123056352726
                   +0 :              -0.00085692506610
                   +1 :              -0.00105948188103
                3p
                   -1 :              -0.00070031333328
                   +0 :               0.00026982050209
                   +1 :               0.00086813893977
                3d
                   -2 :               0.00007826471771
                   -1 :              -0.00002157909852
                   +0 :               0.00017611648659
                   +1 :               0.00002051050043
                   +2 :               0.00008034655099
              6 vec=   -10.373550     -3.478212     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00002550698281
                2s
                   +0 :              -0.00019848232991
                3s
                   +0 :               0.00000852798801
                2p
                   -1 :               0.00002904495412
                   +0 :              -0.00000189218201
                   +1 :               0.00019391692820
                3p
                   -1 :              -0.00004412000658
                   +0 :               0.00001020242602
                   +1 :              -0.00005833573804
                3d
                   -2 :              -0.00003432681918
                   -1 :               0.00003995731697
                   +0 :               0.00002891420060
                   +1 :              -0.00006016374058
                   +2 :              -0.00009391382631
              7 vec=   -10.373550      5.505546     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001504834391
                2s
                   +0 :               0.00019800285157
                3s
                   +0 :               0.00014252333266
                2p
                   -1 :              -0.00022800598869
                   +0 :              -0.00052910748185
                   +1 :              -0.00007704941025
                3p
                   -1 :               0.00031632529805
                   +0 :               0.00024999781447
                   +1 :               0.00001025341298
                3d
                   -2 :              -0.00002091267564
                   -1 :               0.00001172116617
                   +0 :              -0.00002882003088
                   +1 :              -0.00001649659333
                   +2 :              -0.00003090533124
              8 vec=    12.966938      1.013667     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00003756155845
                2s
                   +0 :               0.00025537276904
                3s
                   +0 :              -0.00006159716720
                2p
                   -1 :              -0.00008828406376
                   +0 :               0.00030556618245
                   +1 :               0.00030984862652
                3p
                   -1 :              -0.00003981492635
                   +0 :              -0.00024178524263
                   +1 :              -0.00007789071150
                3d
                   -2 :              -0.00001352969001
                   -1 :               0.00002318303146
                   +0 :              -0.00001533326424
                   +1 :              -0.00001115590580
                   +2 :               0.00002828525367
              9 vec=     5.186775    -12.461970     -4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00009010511072
                2s
                   +0 :              -0.00081669005955
                3s
                   +0 :               0.00020167968552
                2p
                   -1 :               0.00033511919601
                   +0 :               0.00016841701872
                   +1 :               0.00009330906189
                3p
                   -1 :              -0.00009528729685
                   +0 :               0.00001930870176
                   +1 :              -0.00009811974128
                3d
                   -2 :              -0.00000106468129
                   -1 :               0.00000590154664
                   +0 :              -0.00001002830262
                   +1 :               0.00000864957655
                   +2 :              -0.00001775799022
             10 vec=    12.966938     -7.970091     -4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000664401197
                2s
                   +0 :              -0.00006218620508
                3s
                   +0 :               0.00001642663891
                2p
                   -1 :              -0.00008625260407
                   +0 :               0.00011434128884
                   +1 :              -0.00005418751727
                3p
                   -1 :               0.00005310178990
                   +0 :              -0.00006141933746
                   +1 :               0.00003067757018
                3d
                   -2 :               0.00001013253915
                   -1 :              -0.00000512138947
                   +0 :               0.00000064305720
                   +1 :              -0.00000489752473
                   +2 :              -0.00000550971570
             11 vec=     5.186775     14.489304     -4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00009014002545
                2s
                   +0 :               0.00059682816622
                3s
                   +0 :              -0.00026653453708
                2p
                   -1 :               0.00040758456048
                   +0 :              -0.00015424795511
                   +1 :               0.00006082668566
                3p
                   -1 :              -0.00022774956434
                   +0 :               0.00009721365025
                   +1 :               0.00002714054502
                3d
                   -2 :               0.00000593801606
                   -1 :               0.00001218932956
                   +0 :              -0.00001666610384
                   +1 :              -0.00000379861364
                   +2 :               0.00000815892163
             12 vec=   -10.373550    -12.461970     -4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00002148975007
                2s
                   +0 :              -0.00015846735332
                3s
                   +0 :               0.00006363886995
                2p
                   -1 :               0.00032096442250
                   +0 :               0.00005196412778
                   +1 :               0.00015442820296
                3p
                   -1 :              -0.00027599237531
                   +0 :              -0.00003809088475
                   +1 :              -0.00009263617819
                3d
                   -2 :               0.00001379126187
                   -1 :               0.00001189273615
                   +0 :              -0.00000594850382
                   +1 :              -0.00000434489772
                   +2 :              -0.00000891547063
             13 vec=    12.966938      9.997425     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00002297188542
                2s
                   +0 :               0.00015764370493
                3s
                   +0 :              -0.00006084718281
                2p
                   -1 :               0.00008012985067
                   +0 :              -0.00003154165182
                   +1 :              -0.00000535276684
                3p
                   -1 :              -0.00002321794670
                   +0 :               0.00001200211624
                   +1 :               0.00004039063846
                3d
                   -2 :              -0.00000680991564
                   -1 :               0.00000296166007
                   +0 :              -0.00000246591968
                   +1 :               0.00000414142872
                   +2 :               0.00000708799823
             14 vec=    -2.593388    -16.953849     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00001167125606
                2s
                   +0 :              -0.00008057877306
                3s
                   +0 :               0.00001600510302
                2p
                   -1 :               0.00002944952308
                   +0 :               0.00000950781237
                   +1 :              -0.00002440740085
                3p
                   -1 :               0.00002001712548
                   +0 :               0.00001381109734
                   +1 :               0.00000907864334
                3d
                   -2 :               0.00000692372922
                   -1 :              -0.00000093830652
                   +0 :               0.00000194761882
                   +1 :               0.00000463680642
                   +2 :              -0.00000223634577
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 22)  npairs=  15
              1 vec=    -4.976970     -0.363094      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00041603160522
                2s
                   +0 :               0.00299803302888
                3s
                   +0 :              -0.00112267992377
                2p
                   -1 :              -0.00092985020827
                   +0 :               0.00297704904507
                   +1 :              -0.00078848247002
                3p
                   -1 :              -0.00019343763343
                   +0 :              -0.00082139210937
                   +1 :              -0.00042061175875
                3d
                   -2 :               0.00013181378327
                   -1 :              -0.00001713939872
                   +0 :               0.00004887384016
                   +1 :              -0.00000654621715
                   +2 :              -0.00005472305807
              2 vec=     2.803193      4.128785      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00012183974317
                2s
                   +0 :               0.00062065151231
                3s
                   +0 :              -0.00020362212958
                2p
                   -1 :              -0.00265903335477
                   +0 :               0.00098375522139
                   +1 :               0.00123429749076
                3p
                   -1 :               0.00213835212929
                   +0 :              -0.00082344500369
                   +1 :              -0.00154884518876
                3d
                   -2 :               0.00000272838550
                   -1 :               0.00017562628145
                   +0 :               0.00000327826067
                   +1 :              -0.00014268195888
                   +2 :              -0.00000808637624
              3 vec=     2.803193     -4.854973      8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00031120231427
                2s
                   +0 :              -0.00271180279460
                3s
                   +0 :               0.00044757510477
                2p
                   -1 :               0.00168657367155
                   +0 :              -0.00144665396994
                   +1 :              -0.00267912427988
                3p
                   -1 :              -0.00092806609000
                   +0 :              -0.00053391711466
                   +1 :               0.00095465021956
                3d
                   -2 :               0.00001124055974
                   -1 :              -0.00012095512444
                   +0 :              -0.00007419170394
                   +1 :              -0.00010326482316
                   +2 :              -0.00010221541789
              4 vec=    -4.976970      8.620664      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00009186896777
                2s
                   +0 :               0.00084966473394
                3s
                   +0 :              -0.00035594771683
                2p
                   -1 :               0.00039077533366
                   +0 :               0.00042265185324
                   +1 :               0.00004049699617
                3p
                   -1 :              -0.00028769907667
                   +0 :              -0.00019713754108
                   +1 :              -0.00000521501578
                3d
                   -2 :               0.00002417498516
                   -1 :              -0.00003237077050
                   +0 :               0.00004371500815
                   +1 :               0.00001703048383
                   +2 :               0.00002682377728
              5 vec=    -4.976970     -9.346852      8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00003796908540
                2s
                   +0 :              -0.00062111307380
                3s
                   +0 :               0.00012740023424
                2p
                   -1 :               0.00036838320648
                   +0 :              -0.00042859569189
                   +1 :               0.00019431776148
                3p
                   -1 :              -0.00008603608246
                   +0 :               0.00015300959040
                   +1 :               0.00012265801005
                3d
                   -2 :              -0.00001217250989
                   -1 :              -0.00001693476756
                   +0 :               0.00000012127399
                   +1 :              -0.00000356616929
                   +2 :              -0.00000711773391
              6 vec=    10.583355     -0.363094      8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00002699170109
                2s
                   +0 :              -0.00011306779998
                3s
                   +0 :               0.00006771624922
                2p
                   -1 :               0.00030172694441
                   +0 :              -0.00033772646690
                   +1 :               0.00002540102538
                3p
                   -1 :              -0.00033066980075
                   +0 :               0.00023104397171
                   +1 :               0.00003290393990
                3d
                   -2 :              -0.00000727727022
                   -1 :              -0.00004079174559
                   +0 :               0.00001513159234
                   +1 :               0.00000222467542
                   +2 :               0.00002246549311
              7 vec=   -12.757133      4.128785      8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00002662929652
                2s
                   +0 :               0.00019143275680
                3s
                   +0 :              -0.00010298467175
                2p
                   -1 :               0.00007982876878
                   +0 :               0.00011068409347
                   +1 :              -0.00024575717677
                3p
                   -1 :              -0.00009975024475
                   +0 :              -0.00010789584565
                   +1 :               0.00011220464992
                3d
                   -2 :               0.00001025689550
                   -1 :              -0.00000758340789
                   +0 :              -0.00000371917600
                   +1 :               0.00000566769060
                   +2 :               0.00000266019405
              8 vec=     2.803193     13.112543      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00000897757980
                2s
                   +0 :               0.00002487790867
                3s
                   +0 :               0.00004538203058
                2p
                   -1 :              -0.00002247804697
                   +0 :               0.00013163741685
                   +1 :               0.00000055596367
                3p
                   -1 :               0.00013620843465
                   +0 :              -0.00001788419888
                   +1 :               0.00002055676482
                3d
                   -2 :               0.00000650741220
                   -1 :               0.00000668823133
                   +0 :               0.00001319762287
                   +1 :               0.00002141681727
                   +2 :               0.00000680559003
              9 vec=   -12.757133     -4.854973      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00002413991514
                2s
                   +0 :               0.00013699648919
                3s
                   +0 :              -0.00008569688699
                2p
                   -1 :              -0.00000753143345
                   +0 :               0.00002502546017
                   +1 :              -0.00003565938897
                3p
                   -1 :               0.00002060130987
                   +0 :              -0.00000624114803
                   +1 :               0.00008545000035
                3d
                   -2 :               0.00000085008030
                   -1 :              -0.00000134816368
                   +0 :               0.00000058480223
                   +1 :              -0.00000275808195
                   +2 :              -0.00000377080686
             10 vec=    10.583355      8.620664      8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00001598614315
                2s
                   +0 :               0.00014941326135
                3s
                   +0 :              -0.00002408998863
                2p
                   -1 :              -0.00003166666981
                   +0 :               0.00006855489191
                   +1 :               0.00009428687353
                3p
                   -1 :               0.00003237244575
                   +0 :               0.00001651916601
                   +1 :              -0.00001720231466
                3d
                   -2 :              -0.00000229624016
                   -1 :               0.00001084719793
                   +0 :               0.00000231856014
                   +1 :              -0.00000252676420
                   +2 :              -0.00000552432283
             11 vec=     2.803193    -13.838731      8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00002397098582
                2s
                   +0 :              -0.00018826079895
                3s
                   +0 :               0.00006467062825
                2p
                   -1 :               0.00023199356540
                   +0 :              -0.00014989556283
                   +1 :              -0.00010818433057
                3p
                   -1 :              -0.00009751435539
                   +0 :               0.00006079722483
                   +1 :               0.00009716951613
                3d
                   -2 :              -0.00000539719915
                   -1 :              -0.00000789881546
                   +0 :              -0.00000246964629
                   +1 :               0.00000472683570
                   +2 :              -0.00000234447717
             12 vec=    10.583355     -9.346852      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000900984887
                2s
                   +0 :               0.00002693130888
                3s
                   +0 :              -0.00004588960462
                2p
                   -1 :              -0.00006697323197
                   +0 :               0.00009564683865
                   +1 :              -0.00013367217821
                3p
                   -1 :               0.00005641097247
                   +0 :              -0.00011347511623
                   +1 :               0.00005814383082
                3d
                   -2 :              -0.00000448398801
                   -1 :               0.00000440488938
                   +0 :              -0.00000590005524
                   +1 :               0.00000170257256
                   +2 :               0.00000376234085
             13 vec=    -4.976970     -0.363094    -16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00000060609893
                2s
                   +0 :              -0.00001507626106
                3s
                   +0 :              -0.00000459596083
                2p
                   -1 :              -0.00000025001250
                   +0 :              -0.00000226896832
                   +1 :               0.00000522360203
                3p
                   -1 :              -0.00000739327092
                   +0 :               0.00003010770012
                   +1 :              -0.00000033834582
                3d
                   -2 :              -0.00000039074927
                   -1 :               0.00000170019098
                   +0 :              -0.00000867895720
                   +1 :              -0.00000287643499
                   +2 :              -0.00000043642255
             14 vec=     2.803193      4.128785    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00001173725957
                2s
                   +0 :              -0.00007987775025
                3s
                   +0 :               0.00003237850186
                2p
                   -1 :              -0.00010173628109
                   +0 :               0.00009382870837
                   +1 :               0.00003589656440
                3p
                   -1 :               0.00007984831687
                   +0 :              -0.00006503216745
                   +1 :              -0.00002363250154
                3d
                   -2 :              -0.00000115116072
                   -1 :              -0.00000545643993
                   +0 :              -0.00000240959990
                   +1 :               0.00000514737970
                   +2 :              -0.00000308389477
             15 vec=     2.803193     -4.854973    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000115131514
                2s
                   +0 :               0.00002471989188
                3s
                   +0 :              -0.00000134387340
                2p
                   -1 :              -0.00004622840103
                   +0 :              -0.00001540134543
                   +1 :              -0.00003587162454
                3p
                   -1 :               0.00002802031548
                   +0 :              -0.00002139569194
                   +1 :               0.00002118429968
                3d
                   -2 :              -0.00000190236245
                   -1 :              -0.00000226014689
                   +0 :               0.00000025192602
                   +1 :               0.00000027924527
                   +2 :               0.00000494135360
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805     -0.363094      8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00014913255985
                2s
                   +0 :              -0.00059199139815
                3s
                   +0 :               0.00011318163391
                2p
                   -1 :              -0.00377158111725
                   +0 :              -0.00247266030802
                   +1 :               0.00205688150047
                3p
                   -1 :               0.00174982747530
                   +0 :               0.00133608932230
                   +1 :              -0.00175110035826
                3d
                   -2 :              -0.00003943690281
                   -1 :               0.00004979251161
                   +0 :               0.00005293096182
                   +1 :              -0.00010454505215
                   +2 :               0.00009816973807
              2 vec=     7.570358      4.128785      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00007249806159
                2s
                   +0 :              -0.00020856826307
                3s
                   +0 :               0.00036237653860
                2p
                   -1 :              -0.00036117458920
                   +0 :               0.00004142812278
                   +1 :              -0.00027234966200
                3p
                   -1 :               0.00003896732819
                   +0 :               0.00027320655420
                   +1 :               0.00049987266940
                3d
                   -2 :              -0.00002793966273
                   -1 :              -0.00002831185974
                   +0 :              -0.00001581655154
                   +1 :               0.00004790530590
                   +2 :               0.00003468436132
              3 vec=    -0.209805      8.620664      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00011774328414
                2s
                   +0 :              -0.00077751221490
                3s
                   +0 :               0.00037781542348
                2p
                   -1 :               0.00178810180063
                   +0 :              -0.00043631116181
                   +1 :               0.00011485892362
                3p
                   -1 :              -0.00158284874394
                   +0 :               0.00025719300118
                   +1 :              -0.00006617131596
                3d
                   -2 :               0.00004373615941
                   -1 :              -0.00003235617049
                   +0 :               0.00001502443861
                   +1 :               0.00006466957594
                   +2 :               0.00005615888708
              4 vec=     7.570358     -4.854973      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00016402323368
                2s
                   +0 :               0.00083188266610
                3s
                   +0 :              -0.00064140546124
                2p
                   -1 :               0.00015050547842
                   +0 :               0.00057062818699
                   +1 :               0.00077503887724
                3p
                   -1 :              -0.00025352121851
                   +0 :              -0.00047347414398
                   +1 :              -0.00089723088238
                3d
                   -2 :               0.00000824878050
                   -1 :               0.00000990382201
                   +0 :              -0.00005947873713
                   +1 :              -0.00014379413902
                   +2 :              -0.00011327232125
              5 vec=    -7.989968      4.128785      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00007060172681
                2s
                   +0 :               0.00066008506016
                3s
                   +0 :              -0.00004977714061
                2p
                   -1 :               0.00038353366779
                   +0 :               0.00038441837664
                   +1 :              -0.00063899267837
                3p
                   -1 :              -0.00058482901778
                   +0 :              -0.00016564252075
                   +1 :               0.00019190105739
                3d
                   -2 :               0.00001598073504
                   -1 :              -0.00000184000761
                   +0 :               0.00000643162956
                   +1 :              -0.00000013503924
                   +2 :               0.00002876537560
              6 vec=    -0.209805     -9.346852      8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00002713867173
                2s
                   +0 :              -0.00062084791775
                3s
                   +0 :              -0.00001187419296
                2p
                   -1 :               0.00035015514330
                   +0 :              -0.00034316580786
                   +1 :               0.00012474820840
                3p
                   -1 :               0.00001211617570
                   +0 :              -0.00012730625007
                   +1 :              -0.00009373225329
                3d
                   -2 :               0.00000824540203
                   -1 :               0.00002533025159
                   +0 :              -0.00003062252111
                   +1 :              -0.00004698919599
                   +2 :              -0.00001423192688
              7 vec=    -7.989968     -4.854973      8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00004304367396
                2s
                   +0 :              -0.00032165506100
                3s
                   +0 :               0.00015538789102
                2p
                   -1 :              -0.00018103912707
                   +0 :              -0.00037842393181
                   +1 :               0.00070640271986
                3p
                   -1 :               0.00003366490953
                   +0 :               0.00031069254948
                   +1 :              -0.00049647572119
                3d
                   -2 :               0.00001257359798
                   -1 :               0.00002295052372
                   +0 :               0.00000268833240
                   +1 :              -0.00002878919010
                   +2 :              -0.00000577249407
              8 vec=    -0.209805     -0.363094    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00000573805904
                2s
                   +0 :              -0.00003071926881
                3s
                   +0 :               0.00000570671694
                2p
                   -1 :              -0.00002115736396
                   +0 :              -0.00002614660109
                   +1 :               0.00001742506033
                3p
                   -1 :               0.00001980071541
                   +0 :               0.00003978309382
                   +1 :              -0.00000797812902
                3d
                   -2 :               0.00000674357406
                   -1 :              -0.00000259102448
                   +0 :              -0.00000301845361
                   +1 :               0.00000154130560
                   +2 :               0.00000220433955
              9 vec=     7.570358     13.112543      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00000688062000
                2s
                   +0 :              -0.00004051446869
                3s
                   +0 :               0.00006554797132
                2p
                   -1 :               0.00008728648764
                   +0 :               0.00008994715523
                   +1 :              -0.00007351854058
                3p
                   -1 :               0.00002462022854
                   +0 :              -0.00002449060968
                   +1 :               0.00008789822583
                3d
                   -2 :               0.00000698407497
                   -1 :              -0.00000333230454
                   +0 :              -0.00000421435879
                   +1 :               0.00000036133135
                   +2 :               0.00000709781686
             10 vec=    15.350520     -0.363094      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00001157271947
                2s
                   +0 :               0.00011418481728
                3s
                   +0 :              -0.00003641808996
                2p
                   -1 :              -0.00009495370229
                   +0 :               0.00003525783699
                   +1 :               0.00009110475646
                3p
                   -1 :               0.00004999387278
                   +0 :              -0.00001954462179
                   +1 :              -0.00005064184747
                3d
                   -2 :               0.00000578980965
                   -1 :               0.00000256081021
                   +0 :               0.00000057909325
                   +1 :              -0.00000581534695
                   +2 :              -0.00000332199068
             11 vec=    -7.989968     13.112543      8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00001218363072
                2s
                   +0 :              -0.00004924804022
                3s
                   +0 :               0.00004236226896
                2p
                   -1 :               0.00008119569880
                   +0 :               0.00007349081072
                   +1 :               0.00008119456252
                3p
                   -1 :               0.00002526786454
                   +0 :               0.00001168059965
                   +1 :              -0.00009875943495
                3d
                   -2 :              -0.00000186595669
                   -1 :               0.00000292144150
                   +0 :              -0.00000444442697
                   +1 :               0.00000443833624
                   +2 :               0.00000074588880
             12 vec=     7.570358    -13.838731      8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000147714413
                2s
                   +0 :              -0.00003245404289
                3s
                   +0 :              -0.00002412156842
                2p
                   -1 :               0.00002503202810
                   +0 :               0.00002153344988
                   +1 :               0.00007099943775
                3p
                   -1 :               0.00002516026667
                   +0 :              -0.00004432145794
                   +1 :              -0.00010101355836
                3d
                   -2 :               0.00000698322646
                   -1 :               0.00000217236371
                   +0 :              -0.00000779167662
                   +1 :              -0.00000738535953
                   +2 :              -0.00000010228217
             13 vec=   -15.770130     -0.363094      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00001984299882
                2s
                   +0 :               0.00014985392900
                3s
                   +0 :              -0.00005277111774
                2p
                   -1 :               0.00001032308815
                   +0 :               0.00001721005931
                   +1 :              -0.00004206722860
                3p
                   -1 :              -0.00004203074209
                   +0 :              -0.00000329169903
                   +1 :               0.00000148244291
                3d
                   -2 :              -0.00000085998580
                   -1 :               0.00000058892084
                   +0 :               0.00000111701369
                   +1 :               0.00000426540679
                   +2 :              -0.00000247641212
             14 vec=    -7.989968    -13.838731      8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00001625848376
                2s
                   +0 :              -0.00014496731906
                3s
                   +0 :               0.00003547542905
                2p
                   -1 :               0.00006481588558
                   +0 :              -0.00003024516584
                   +1 :               0.00009326758056
                3p
                   -1 :               0.00000478238526
                   +0 :               0.00001389866340
                   +1 :              -0.00002071580125
                3d
                   -2 :              -0.00000418572762
                   -1 :              -0.00000411326000
                   +0 :               0.00000071116205
                   +1 :              -0.00000415181769
                   +2 :               0.00000468089886
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 24)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00022378248111
                2s
                   +0 :              -0.00179073156371
                3s
                   +0 :               0.00005125492641
                2p
                   -1 :               0.00036272147053
                   +0 :              -0.00254878623063
                   +1 :               0.00044152867663
                3p
                   -1 :              -0.00007974411667
                   +0 :               0.00033906205947
                   +1 :               0.00128872797423
                3d
                   -2 :              -0.00006586045038
                   -1 :               0.00003451766747
                   +0 :               0.00002306319515
                   +1 :               0.00025426003080
                   +2 :              -0.00010295306215
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00008119460175
                2s
                   +0 :               0.00106522264884
                3s
                   +0 :               0.00012300059786
                2p
                   -1 :              -0.00042477839059
                   +0 :               0.00212209812346
                   +1 :               0.00099773094211
                3p
                   -1 :              -0.00009984747592
                   +0 :               0.00004756013816
                   +1 :               0.00024040126493
                3d
                   -2 :              -0.00006587510119
                   -1 :               0.00006709567433
                   +0 :               0.00007502987933
                   +1 :               0.00015654041040
                   +2 :               0.00000780435493
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00005593685588
                2s
                   +0 :               0.00002254555352
                3s
                   +0 :               0.00019364766254
                2p
                   -1 :              -0.00153735138162
                   +0 :               0.00050152196631
                   +1 :              -0.00007105179824
                3p
                   -1 :               0.00158952598072
                   +0 :               0.00004746517358
                   +1 :               0.00068875389258
                3d
                   -2 :               0.00005643793199
                   -1 :               0.00016940700422
                   +0 :              -0.00005399570693
                   +1 :               0.00006678936949
                   +2 :              -0.00001833494512
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001663677578
                2s
                   +0 :              -0.00034431730142
                3s
                   +0 :              -0.00003793768417
                2p
                   -1 :               0.00045890151522
                   +0 :              -0.00043596119053
                   +1 :              -0.00051290367825
                3p
                   -1 :              -0.00021623446050
                   +0 :               0.00034416701395
                   +1 :               0.00017416086519
                3d
                   -2 :               0.00000022432360
                   -1 :              -0.00002882670844
                   +0 :               0.00004042262029
                   +1 :              -0.00000521554802
                   +2 :               0.00001829983958
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00002468804114
                2s
                   +0 :               0.00019303887907
                3s
                   +0 :              -0.00000713679626
                2p
                   -1 :              -0.00024008127143
                   +0 :              -0.00011718767856
                   +1 :               0.00002872219302
                3p
                   -1 :               0.00014282613941
                   +0 :               0.00009774656008
                   +1 :              -0.00010135953420
                3d
                   -2 :               0.00000348493655
                   -1 :              -0.00000701505529
                   +0 :              -0.00001253498976
                   +1 :               0.00000784309494
                   +2 :               0.00003534931096
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00004261707816
                2s
                   +0 :               0.00012851274633
                3s
                   +0 :               0.00004243787524
                2p
                   -1 :               0.00055873630455
                   +0 :              -0.00005888339959
                   +1 :              -0.00056261695201
                3p
                   -1 :              -0.00041486988368
                   +0 :               0.00029856262828
                   +1 :               0.00047999158298
                3d
                   -2 :              -0.00002066679143
                   -1 :               0.00001074426927
                   +0 :               0.00004601861774
                   +1 :              -0.00003147698020
                   +2 :               0.00001913016156
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000355635370
                2s
                   +0 :              -0.00000624788563
                3s
                   +0 :              -0.00003826206828
                2p
                   -1 :               0.00012054526002
                   +0 :              -0.00006297219370
                   +1 :              -0.00003847441082
                3p
                   -1 :              -0.00003286006058
                   +0 :              -0.00000290754859
                   +1 :               0.00002421099733
                3d
                   -2 :              -0.00000547029848
                   -1 :               0.00000183166133
                   +0 :               0.00000540281139
                   +1 :               0.00000589850152
                   +2 :               0.00000033247039
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000589887019
                2s
                   +0 :               0.00002175588435
                3s
                   +0 :              -0.00001828764733
                2p
                   -1 :              -0.00014055835911
                   +0 :              -0.00000737141376
                   +1 :               0.00008750917062
                3p
                   -1 :               0.00009285324025
                   +0 :              -0.00002516889825
                   +1 :              -0.00002944466646
                3d
                   -2 :               0.00000407899629
                   -1 :               0.00000168601067
                   +0 :              -0.00000004873971
                   +1 :              -0.00000073051631
                   +2 :               0.00000025031444
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000836199397
                2s
                   +0 :              -0.00007360319944
                3s
                   +0 :               0.00002466929443
                2p
                   -1 :               0.00003336779635
                   +0 :              -0.00004775410109
                   +1 :              -0.00017509381773
                3p
                   -1 :              -0.00004915469858
                   +0 :               0.00003110869508
                   +1 :               0.00006132129113
                3d
                   -2 :               0.00000789997370
                   -1 :              -0.00001219417074
                   +0 :              -0.00000687260678
                   +1 :               0.00000377786496
                   +2 :               0.00001106123628
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000538040846
                2s
                   +0 :              -0.00000540754450
                3s
                   +0 :               0.00001894098615
                2p
                   -1 :               0.00001055984954
                   +0 :              -0.00005196700181
                   +1 :               0.00020169322855
                3p
                   -1 :              -0.00003901904618
                   +0 :               0.00005912280624
                   +1 :              -0.00012232067486
                3d
                   -2 :               0.00000223936637
                   -1 :               0.00000729508576
                   +0 :               0.00001313622262
                   +1 :               0.00000899764120
                   +2 :              -0.00001352162610
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000055004944
                2s
                   +0 :               0.00004288630614
                3s
                   +0 :               0.00001925691786
                2p
                   -1 :              -0.00003753313422
                   +0 :               0.00004671783525
                   +1 :              -0.00007768854635
                3p
                   -1 :               0.00003254256518
                   +0 :               0.00003263518413
                   +1 :               0.00001298411481
                3d
                   -2 :               0.00000347852893
                   -1 :              -0.00000147779901
                   +0 :               0.00000229423941
                   +1 :              -0.00000796396485
                   +2 :               0.00000041914252
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000369929715
                2s
                   +0 :               0.00008290676986
                3s
                   +0 :               0.00000316333230
                2p
                   -1 :               0.00020035291792
                   +0 :               0.00019035518393
                   +1 :              -0.00003295287816
                3p
                   -1 :              -0.00009053877469
                   +0 :              -0.00013187948257
                   +1 :               0.00000014808194
                3d
                   -2 :              -0.00000448005988
                   -1 :               0.00000843272514
                   +0 :              -0.00001575513152
                   +1 :              -0.00002656923533
                   +2 :              -0.00000626686776
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000437928637
                2s
                   +0 :              -0.00000897507004
                3s
                   +0 :               0.00001597444028
                2p
                   -1 :               0.00004659887799
                   +0 :               0.00000149975080
                   +1 :               0.00005626076048
                3p
                   -1 :              -0.00003975578995
                   +0 :              -0.00001540644974
                   +1 :              -0.00004129578143
                3d
                   -2 :               0.00000175797987
                   -1 :               0.00000075693617
                   +0 :               0.00000004473182
                   +1 :               0.00000076346032
                   +2 :              -0.00000029235229
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001413803876
                2s
                   +0 :              -0.00009700460717
                3s
                   +0 :               0.00002924576062
                2p
                   -1 :               0.00003972084694
                   +0 :               0.00006114174926
                   +1 :              -0.00002995047357
                3p
                   -1 :              -0.00002903564628
                   +0 :              -0.00000577696126
                   +1 :              -0.00000195942488
                3d
                   -2 :              -0.00000429434591
                   -1 :               0.00000129389587
                   +0 :              -0.00000130165523
                   +1 :               0.00000126926687
                   +2 :              -0.00000667979974
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000324832636
                2s
                   +0 :               0.00000316806896
                3s
                   +0 :               0.00002931414778
                2p
                   -1 :               0.00000107306633
                   +0 :               0.00001501063752
                   +1 :               0.00001765193092
                3p
                   -1 :              -0.00000297432416
                   +0 :              -0.00004350137041
                   +1 :              -0.00003330720423
                3d
                   -2 :              -0.00000426080947
                   -1 :              -0.00000407532282
                   +0 :               0.00000581589368
                   +1 :               0.00001029562230
                   +2 :               0.00000048479075
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 25)  npairs=  14
              1 vec=    -2.803193      1.376461      4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00117725352280
                2s
                   +0 :               0.00878269137337
                3s
                   +0 :               0.00364823048764
                2p
                   -1 :              -0.00165712425874
                   +0 :               0.01083943526719
                   +1 :              -0.00061327715583
                3p
                   -1 :              -0.00124949081898
                   +0 :              -0.00119374406893
                   +1 :              -0.00785493882492
                3d
                   -2 :               0.00013920125563
                   -1 :              -0.00014224905529
                   +0 :              -0.00004732546444
                   +1 :              -0.00147271493254
                   +2 :               0.00089486459977
              2 vec=     4.976970     -3.115418      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00075576467039
                2s
                   +0 :              -0.00729996767465
                3s
                   +0 :               0.00321704845080
                2p
                   -1 :               0.00769237749935
                   +0 :              -0.00716580696649
                   +1 :              -0.00844526676210
                3p
                   -1 :              -0.00694600113884
                   +0 :               0.00460171041013
                   +1 :               0.00582187535754
                3d
                   -2 :              -0.00062759502520
                   -1 :              -0.00046389826491
                   +0 :               0.00019832464739
                   +1 :               0.00050601397816
                   +2 :               0.00020518680834
              3 vec=     4.976970      5.868340      4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00026586059547
                2s
                   +0 :               0.00150234933182
                3s
                   +0 :              -0.00059244702321
                2p
                   -1 :              -0.00080080695079
                   +0 :               0.00343247192316
                   +1 :               0.00207119022145
                3p
                   -1 :               0.00029160563555
                   +0 :              -0.00027735990582
                   +1 :              -0.00082908722983
                3d
                   -2 :              -0.00001756969411
                   -1 :              -0.00008658867789
                   +0 :               0.00022025049742
                   +1 :               0.00014760604890
                   +2 :              -0.00004856819608
              4 vec=    -2.803193     -7.607297      4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00012644249913
                2s
                   +0 :              -0.00052630836714
                3s
                   +0 :              -0.00005844067312
                2p
                   -1 :               0.00118194554672
                   +0 :              -0.00190479257145
                   +1 :              -0.00189855251231
                3p
                   -1 :              -0.00050473795025
                   +0 :               0.00002152965073
                   +1 :               0.00170059650519
                3d
                   -2 :              -0.00002527501606
                   -1 :               0.00008683784809
                   +0 :              -0.00004977360132
                   +1 :              -0.00000941682088
                   +2 :               0.00005134780590
              5 vec=    -2.803193     10.360219      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00023238889261
                2s
                   +0 :              -0.00099791953027
                3s
                   +0 :               0.00086562905308
                2p
                   -1 :              -0.00096797671447
                   +0 :               0.00051573718209
                   +1 :               0.00090896363549
                3p
                   -1 :               0.00126429817223
                   +0 :              -0.00000018753094
                   +1 :              -0.00088168808648
                3d
                   -2 :              -0.00007196557481
                   -1 :              -0.00001191562933
                   +0 :               0.00000677860720
                   +1 :               0.00003879683254
                   +2 :              -0.00003317906012
              6 vec=   -10.583355     -3.115418      4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00001915871907
                2s
                   +0 :               0.00018233135735
                3s
                   +0 :              -0.00015739144147
                2p
                   -1 :               0.00001445401222
                   +0 :              -0.00027009564995
                   +1 :              -0.00010529416960
                3p
                   -1 :              -0.00013526948489
                   +0 :               0.00021618757961
                   +1 :               0.00020491520915
                3d
                   -2 :              -0.00000903497546
                   -1 :               0.00000398620683
                   +0 :               0.00004807646313
                   +1 :               0.00000021795450
                   +2 :              -0.00005059220490
              7 vec=   -10.583355      5.868340      4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00005195782760
                2s
                   +0 :              -0.00004933067593
                3s
                   +0 :               0.00022633309523
                2p
                   -1 :               0.00003554836287
                   +0 :               0.00009217982753
                   +1 :               0.00062858833112
                3p
                   -1 :               0.00010016383742
                   +0 :               0.00004310178119
                   +1 :              -0.00058756923929
                3d
                   -2 :              -0.00001539429702
                   -1 :               0.00002962591558
                   +0 :              -0.00000936235626
                   +1 :              -0.00000131984892
                   +2 :              -0.00000494578481
              8 vec=    12.757133      1.376461      4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00007181287068
                2s
                   +0 :              -0.00033951992464
                3s
                   +0 :               0.00019323290789
                2p
                   -1 :               0.00041656723765
                   +0 :               0.00022786553359
                   +1 :              -0.00030809179062
                3p
                   -1 :              -0.00039149168049
                   +0 :              -0.00020263416904
                   +1 :               0.00034331695371
                3d
                   -2 :              -0.00005039020710
                   -1 :              -0.00000276785380
                   +0 :               0.00000281441744
                   +1 :              -0.00004040397462
                   +2 :               0.00001911107786
              9 vec=     4.976970    -12.099176      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00003778478888
                2s
                   +0 :              -0.00022413021438
                3s
                   +0 :              -0.00015984779864
                2p
                   -1 :               0.00062653296471
                   +0 :              -0.00001903469048
                   +1 :              -0.00056869328078
                3p
                   -1 :              -0.00040335889772
                   +0 :              -0.00005612183965
                   +1 :               0.00043846086320
                3d
                   -2 :              -0.00002755295641
                   -1 :              -0.00003294473230
                   +0 :              -0.00002197710092
                   +1 :               0.00000414801853
                   +2 :               0.00001191094710
             10 vec=    12.757133     -7.607297      4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00002805109651
                2s
                   +0 :               0.00015625254107
                3s
                   +0 :              -0.00014382610727
                2p
                   -1 :              -0.00004817491934
                   +0 :              -0.00000893607319
                   +1 :               0.00015968981897
                3p
                   -1 :               0.00002598177661
                   +0 :              -0.00001895758720
                   +1 :              -0.00018513431776
                3d
                   -2 :               0.00000205313351
                   -1 :              -0.00000412325118
                   +0 :              -0.00000871493972
                   +1 :              -0.00001026653531
                   +2 :              -0.00001255306229
             11 vec=     4.976970     14.852098      4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00000211146518
                2s
                   +0 :               0.00006933818241
                3s
                   +0 :               0.00004293729651
                2p
                   -1 :              -0.00009133061758
                   +0 :               0.00001916922905
                   +1 :               0.00008095459600
                3p
                   -1 :               0.00021644671650
                   +0 :               0.00005669282292
                   +1 :              -0.00002748567875
                3d
                   -2 :               0.00001250667387
                   -1 :               0.00001046165449
                   +0 :              -0.00001549937344
                   +1 :               0.00000001408285
                   +2 :              -0.00001624697373
             12 vec=   -10.583355    -12.099176      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00000477118660
                2s
                   +0 :              -0.00007299191765
                3s
                   +0 :               0.00002368193252
                2p
                   -1 :              -0.00001077535489
                   +0 :               0.00006557357358
                   +1 :               0.00003912205080
                3p
                   -1 :               0.00004187539405
                   +0 :              -0.00006779483579
                   +1 :               0.00001839085762
                3d
                   -2 :              -0.00000759862304
                   -1 :              -0.00000269363472
                   +0 :               0.00000105537885
                   +1 :              -0.00000591029081
                   +2 :               0.00001362159770
             13 vec=    12.757133     10.360219      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00002598422982
                2s
                   +0 :               0.00016083606328
                3s
                   +0 :              -0.00007138023433
                2p
                   -1 :               0.00009835165542
                   +0 :              -0.00010048515313
                   +1 :               0.00007453952119
                3p
                   -1 :              -0.00006482598673
                   +0 :               0.00006948682870
                   +1 :              -0.00003147320767
                3d
                   -2 :              -0.00000015259704
                   -1 :              -0.00000217788162
                   +0 :               0.00000013251017
                   +1 :               0.00000035943130
                   +2 :               0.00000210428773
             14 vec=    -2.803193    -16.591055      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00001439212636
                2s
                   +0 :              -0.00012338964761
                3s
                   +0 :               0.00004093805832
                2p
                   -1 :               0.00012283035013
                   +0 :              -0.00006795310512
                   +1 :              -0.00008844351037
                3p
                   -1 :              -0.00005338862503
                   +0 :               0.00003849882280
                   +1 :               0.00007456150457
                3d
                   -2 :              -0.00000028496800
                   -1 :              -0.00000283980474
                   +0 :               0.00000071343641
                   +1 :               0.00000535173304
                   +2 :               0.00000562657893
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 26)  npairs=  14
              1 vec=     0.209805     -3.115418      4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00163878771593
                2s
                   +0 :              -0.04255188917347
                3s
                   +0 :               0.00261566249680
                2p
                   -1 :               0.01559622046306
                   +0 :              -0.02432596347772
                   +1 :               0.00355137237485
                3p
                   -1 :              -0.00272444420273
                   +0 :              -0.00127354497687
                   +1 :              -0.00302682604646
                3d
                   -2 :               0.00027634617572
                   -1 :               0.00189018800280
                   +0 :              -0.00178215732257
                   +1 :              -0.00052941591959
                   +2 :               0.00040785572327
              2 vec=     0.209805      5.868340      4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00170923393346
                2s
                   +0 :               0.01059418340949
                3s
                   +0 :              -0.00571000397901
                2p
                   -1 :               0.01066121700359
                   +0 :               0.00020668436085
                   +1 :              -0.00101601518613
                3p
                   -1 :              -0.00833547046221
                   +0 :               0.00074659541559
                   +1 :               0.00125536637362
                3d
                   -2 :               0.00011226424563
                   -1 :              -0.00026744752817
                   +0 :               0.00028315826786
                   +1 :              -0.00003973391487
                   +2 :               0.00054614793775
              3 vec=    -7.570358      1.376461      4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00018692143178
                2s
                   +0 :               0.00099644189267
                3s
                   +0 :              -0.00035692274256
                2p
                   -1 :               0.00047013541927
                   +0 :              -0.00258804777806
                   +1 :              -0.00245973252806
                3p
                   -1 :              -0.00058763422893
                   +0 :               0.00110497098506
                   +1 :               0.00107202646100
                3d
                   -2 :               0.00008464298849
                   -1 :              -0.00019371697090
                   +0 :              -0.00009480363974
                   +1 :               0.00004574792592
                   +2 :               0.00003935030806
              4 vec=     7.989968      1.376461      4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00000666211183
                2s
                   +0 :               0.00008649792419
                3s
                   +0 :              -0.00002728021245
                2p
                   -1 :              -0.00060826278133
                   +0 :              -0.00082800537287
                   +1 :               0.00358802822938
                3p
                   -1 :               0.00030422192289
                   +0 :               0.00006698981583
                   +1 :              -0.00288113151380
                3d
                   -2 :              -0.00000187273434
                   -1 :               0.00007330916298
                   +0 :               0.00000719774844
                   +1 :              -0.00006983159642
                   +2 :              -0.00007681273211
              5 vec=    -7.570358     -7.607297      4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00013701957928
                2s
                   +0 :              -0.00117112294276
                3s
                   +0 :               0.00050456414218
                2p
                   -1 :               0.00056007457764
                   +0 :              -0.00011574446389
                   +1 :               0.00118140649043
                3p
                   -1 :              -0.00035258171220
                   +0 :              -0.00009810702941
                   +1 :              -0.00082926685071
                3d
                   -2 :               0.00003089004304
                   -1 :               0.00005891155190
                   +0 :               0.00001919619254
                   +1 :              -0.00000882620699
                   +2 :               0.00004843715184
              6 vec=     7.989968     -7.607297      4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00001850613205
                2s
                   +0 :              -0.00015504263313
                3s
                   +0 :              -0.00005588888533
                2p
                   -1 :              -0.00060954094966
                   +0 :              -0.00014022453967
                   +1 :              -0.00018659504920
                3p
                   -1 :               0.00058041523235
                   +0 :              -0.00000881034895
                   +1 :              -0.00005868704809
                3d
                   -2 :               0.00009319826435
                   -1 :              -0.00003971519252
                   +0 :               0.00001645518415
                   +1 :              -0.00002083511788
                   +2 :               0.00002532700782
              7 vec=     0.209805    -12.099176      4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00004548755892
                2s
                   +0 :              -0.00082046939551
                3s
                   +0 :               0.00013669497613
                2p
                   -1 :               0.00010471786608
                   +0 :               0.00011360928112
                   +1 :               0.00037626962283
                3p
                   -1 :               0.00001839487794
                   +0 :              -0.00013467543692
                   +1 :              -0.00024863390907
                3d
                   -2 :               0.00003611838628
                   -1 :              -0.00000024213616
                   +0 :              -0.00001918449884
                   +1 :               0.00001696999106
                   +2 :              -0.00000087078014
              8 vec=    -7.570358     10.360219      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00002335409275
                2s
                   +0 :               0.00059906127884
                3s
                   +0 :               0.00001138419358
                2p
                   -1 :              -0.00024379297772
                   +0 :               0.00054344470874
                   +1 :              -0.00078417552974
                3p
                   -1 :               0.00018471135695
                   +0 :              -0.00007165252370
                   +1 :               0.00058578994667
                3d
                   -2 :               0.00000253350260
                   -1 :               0.00000032749023
                   +0 :               0.00001560319062
                   +1 :              -0.00002281759347
                   +2 :              -0.00001973677671
              9 vec=     7.989968     10.360219      4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00006172849051
                2s
                   +0 :               0.00068841990374
                3s
                   +0 :              -0.00008855100926
                2p
                   -1 :               0.00011485706131
                   +0 :               0.00045692396811
                   +1 :              -0.00011087399003
                3p
                   -1 :              -0.00009943354638
                   +0 :              -0.00005450587515
                   +1 :               0.00024377314672
                3d
                   -2 :              -0.00001833269626
                   -1 :              -0.00002156599385
                   +0 :               0.00001985447359
                   +1 :               0.00003008894647
                   +2 :               0.00001386692957
             10 vec=     0.209805     14.852098      4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00003844388475
                2s
                   +0 :               0.00027206380710
                3s
                   +0 :              -0.00007207986710
                2p
                   -1 :               0.00015130006676
                   +0 :               0.00007944408844
                   +1 :               0.00005777476530
                3p
                   -1 :              -0.00001537328631
                   +0 :              -0.00003228223951
                   +1 :              -0.00004184586233
                3d
                   -2 :              -0.00001141567717
                   -1 :              -0.00000231159315
                   +0 :               0.00000219825221
                   +1 :              -0.00000318281979
                   +2 :              -0.00000955873988
             11 vec=   -15.350520     -3.115418      4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00001052902804
                2s
                   +0 :              -0.00008068850646
                3s
                   +0 :               0.00005227320777
                2p
                   -1 :              -0.00001615235468
                   +0 :              -0.00007386148402
                   +1 :               0.00008154064059
                3p
                   -1 :              -0.00001215049816
                   +0 :               0.00005684767532
                   +1 :              -0.00004268880286
                3d
                   -2 :               0.00000242180366
                   -1 :              -0.00000360402485
                   +0 :               0.00000774845953
                   +1 :              -0.00000792498401
                   +2 :              -0.00000173452735
             12 vec=    15.770130     -3.115418      4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00000467427650
                2s
                   +0 :              -0.00003202513473
                3s
                   +0 :               0.00000743502130
                2p
                   -1 :              -0.00003207700721
                   +0 :               0.00001239570142
                   +1 :              -0.00004904109879
                3p
                   -1 :               0.00000798376101
                   +0 :              -0.00002640248854
                   +1 :               0.00001194329879
                3d
                   -2 :               0.00000661989019
                   -1 :               0.00000087181927
                   +0 :               0.00000464104744
                   +1 :              -0.00000531352606
                   +2 :              -0.00000198387602
             13 vec=   -15.350520      5.868340      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00000960085517
                2s
                   +0 :               0.00006758462775
                3s
                   +0 :              -0.00001018864711
                2p
                   -1 :              -0.00004117114833
                   +0 :              -0.00001450762582
                   +1 :              -0.00007536635456
                3p
                   -1 :               0.00003728632804
                   +0 :               0.00002623214643
                   +1 :               0.00003538061754
                3d
                   -2 :              -0.00000731924340
                   -1 :              -0.00000192884461
                   +0 :               0.00000157649023
                   +1 :               0.00000308098632
                   +2 :              -0.00000291427941
             14 vec=    15.770130      5.868340      4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00000824159599
                2s
                   +0 :              -0.00002257894630
                3s
                   +0 :               0.00003430262258
                2p
                   -1 :              -0.00006486119992
                   +0 :               0.00001291004957
                   +1 :               0.00000819285854
                3p
                   -1 :               0.00007482700393
                   +0 :               0.00001140456932
                   +1 :               0.00002136512820
                3d
                   -2 :               0.00000742122757
                   -1 :               0.00000276589306
                   +0 :               0.00000209659569
                   +1 :              -0.00000211495792
                   +2 :              -0.00000169217752
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 27)  npairs=  14
              1 vec=     2.593388      1.013068      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00018077007077
                2s
                   +0 :               0.01587285716132
                3s
                   +0 :               0.00018299200811
                2p
                   -1 :              -0.00605039910828
                   +0 :               0.01348758482951
                   +1 :               0.00498835797074
                3p
                   -1 :              -0.00048781043026
                   +0 :              -0.00431150032857
                   +1 :               0.00402425534277
                3d
                   -2 :              -0.00041021984209
                   -1 :              -0.00116165613166
                   +0 :              -0.00019730236195
                   +1 :               0.00056807966711
                   +2 :               0.00110613251882
              2 vec=    -5.186775     -3.478811      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00019682991862
                2s
                   +0 :               0.00103360928092
                3s
                   +0 :              -0.00067694543899
                2p
                   -1 :              -0.00105459877615
                   +0 :               0.00245473045579
                   +1 :               0.00327775738900
                3p
                   -1 :               0.00119642291527
                   +0 :              -0.00286181561680
                   +1 :              -0.00194332267477
                3d
                   -2 :               0.00010534717434
                   -1 :              -0.00018458681222
                   +0 :              -0.00016151546432
                   +1 :              -0.00014221822278
                   +2 :               0.00011044630887
              3 vec=    -5.186775      5.504947      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00052149086421
                2s
                   +0 :               0.00266167743405
                3s
                   +0 :              -0.00123971771827
                2p
                   -1 :               0.00101425798493
                   +0 :               0.00237739379231
                   +1 :              -0.00228511832015
                3p
                   -1 :              -0.00088250883464
                   +0 :              -0.00000313009738
                   +1 :               0.00134001212662
                3d
                   -2 :               0.00019531150027
                   -1 :              -0.00024352867521
                   +0 :               0.00029241628581
                   +1 :               0.00005172831454
                   +2 :              -0.00005148713693
              4 vec=     2.593388     -7.970690      4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00056629014685
                2s
                   +0 :              -0.00343238955636
                3s
                   +0 :               0.00114298541677
                2p
                   -1 :               0.00065346503705
                   +0 :              -0.00190138710219
                   +1 :              -0.00029635375689
                3p
                   -1 :               0.00040239388146
                   +0 :               0.00051587407161
                   +1 :               0.00010997999971
                3d
                   -2 :              -0.00002915690897
                   -1 :              -0.00003523863711
                   +0 :              -0.00010776441538
                   +1 :               0.00014719055194
                   +2 :              -0.00006852297226
              5 vec=     2.593388      9.996826      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00012789546113
                2s
                   +0 :              -0.00009257496531
                3s
                   +0 :               0.00030525520772
                2p
                   -1 :               0.00115177803856
                   +0 :               0.00089484917184
                   +1 :               0.00107879307976
                3p
                   -1 :              -0.00064232982976
                   +0 :              -0.00028759165951
                   +1 :              -0.00088058583110
                3d
                   -2 :              -0.00008102539452
                   -1 :               0.00002075204233
                   +0 :               0.00018009678372
                   +1 :               0.00001989485455
                   +2 :               0.00008144688643
              6 vec=    10.373550     -3.478811      4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00002950508909
                2s
                   +0 :              -0.00021247008040
                3s
                   +0 :               0.00002044049112
                2p
                   -1 :               0.00003098879695
                   +0 :               0.00003588879577
                   +1 :              -0.00018284728239
                3p
                   -1 :              -0.00004839007069
                   +0 :              -0.00004730143411
                   +1 :               0.00004606127844
                3d
                   -2 :               0.00003534114723
                   -1 :              -0.00004084623786
                   +0 :               0.00003050352168
                   +1 :              -0.00005801134263
                   +2 :              -0.00009638727886
              7 vec=    10.373550      5.504947      4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00001576141805
                2s
                   +0 :               0.00019134806043
                3s
                   +0 :               0.00014178726011
                2p
                   -1 :              -0.00025561980452
                   +0 :               0.00055019422731
                   +1 :               0.00008549107572
                3p
                   -1 :               0.00033955683643
                   +0 :              -0.00025748769993
                   +1 :              -0.00001736567668
                3d
                   -2 :               0.00002062517572
                   -1 :              -0.00001312221791
                   +0 :              -0.00003093717995
                   +1 :              -0.00001769462831
                   +2 :              -0.00003139939123
              8 vec=   -12.966938      1.013068      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00003441612147
                2s
                   +0 :               0.00024437252260
                3s
                   +0 :              -0.00004952321200
                2p
                   -1 :              -0.00007226267349
                   +0 :              -0.00028968024939
                   +1 :              -0.00027579896663
                3p
                   -1 :              -0.00004616936086
                   +0 :               0.00022203128230
                   +1 :               0.00005695420901
                3d
                   -2 :               0.00001291908018
                   -1 :              -0.00002416181025
                   +0 :              -0.00001354155382
                   +1 :              -0.00001008042321
                   +2 :               0.00002778753689
              9 vec=    -5.186775    -12.462569      4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00008848638579
                2s
                   +0 :              -0.00079647194800
                3s
                   +0 :               0.00019815843359
                2p
                   -1 :               0.00033093378553
                   +0 :              -0.00017446054820
                   +1 :              -0.00009343673474
                3p
                   -1 :              -0.00009448533684
                   +0 :              -0.00002223401279
                   +1 :               0.00009358570399
                3d
                   -2 :              -0.00000014436113
                   -1 :              -0.00000614442001
                   +0 :              -0.00000781737053
                   +1 :               0.00000898302230
                   +2 :              -0.00001687963081
             10 vec=   -12.966938     -7.970690      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000648813201
                2s
                   +0 :              -0.00006072034719
                3s
                   +0 :               0.00001435344821
                2p
                   -1 :              -0.00008933629326
                   +0 :              -0.00011712488366
                   +1 :               0.00004376925324
                3p
                   -1 :               0.00005151655873
                   +0 :               0.00006756888396
                   +1 :              -0.00002460875753
                3d
                   -2 :              -0.00000892469261
                   -1 :               0.00000515862207
                   +0 :              -0.00000068939894
                   +1 :              -0.00000562344561
                   +2 :              -0.00000551109277
             11 vec=    -5.186775     14.488705      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00008683376873
                2s
                   +0 :               0.00057917161064
                3s
                   +0 :              -0.00025460841134
                2p
                   -1 :               0.00041049282532
                   +0 :               0.00018525547308
                   +1 :              -0.00005236943321
                3p
                   -1 :              -0.00023487781014
                   +0 :              -0.00012920187054
                   +1 :              -0.00003691416951
                3d
                   -2 :              -0.00000644352021
                   -1 :              -0.00001166342047
                   +0 :              -0.00001389144021
                   +1 :              -0.00000209632043
                   +2 :               0.00000741451707
             12 vec=    10.373550    -12.462569      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00001971657546
                2s
                   +0 :              -0.00014513694469
                3s
                   +0 :               0.00005957343249
                2p
                   -1 :               0.00030025280974
                   +0 :              -0.00006029411707
                   +1 :              -0.00015670692433
                3p
                   -1 :              -0.00025782956716
                   +0 :               0.00004146056078
                   +1 :               0.00009507018012
                3d
                   -2 :              -0.00001365285825
                   -1 :              -0.00001233798219
                   +0 :              -0.00000496167145
                   +1 :              -0.00000461386462
                   +2 :              -0.00000771345318
             13 vec=   -12.966938      9.996826      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00001843522911
                2s
                   +0 :               0.00013121367003
                3s
                   +0 :              -0.00004430107299
                2p
                   -1 :               0.00007795798037
                   +0 :               0.00005306710158
                   +1 :               0.00002503542287
                3p
                   -1 :              -0.00001907149340
                   +0 :              -0.00003261846719
                   +1 :              -0.00005926357850
                3d
                   -2 :               0.00000588920695
                   -1 :              -0.00000286536119
                   +0 :              -0.00000170763489
                   +1 :               0.00000577486064
                   +2 :               0.00000711651096
             14 vec=     2.593388    -16.954448      4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00001251078580
                2s
                   +0 :              -0.00008412453540
                3s
                   +0 :               0.00002043625210
                2p
                   -1 :               0.00004488100778
                   +0 :              -0.00001483662697
                   +1 :               0.00001582880350
                3p
                   -1 :               0.00000682722589
                   +0 :              -0.00001305062462
                   +1 :              -0.00000397122666
                3d
                   -2 :              -0.00000768448155
                   -1 :               0.00000130487620
                   +0 :               0.00000185341751
                   +1 :               0.00000447690677
                   +2 :              -0.00000271586424
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 28)  npairs=  14
              1 vec=     0.209286     -0.362794     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00020185489388
                2s
                   +0 :              -0.00122848643195
                3s
                   +0 :               0.00027878197363
                2p
                   -1 :              -0.00262054939546
                   +0 :               0.00200438945942
                   +1 :              -0.00220124266214
                3p
                   -1 :               0.00111890233758
                   +0 :              -0.00110757239488
                   +1 :               0.00186817236803
                3d
                   -2 :               0.00002473188617
                   -1 :              -0.00008474870664
                   +0 :               0.00004353153272
                   +1 :              -0.00010329818950
                   +2 :               0.00008660352954
              2 vec=     0.209286      8.620964     -8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00012510710756
                2s
                   +0 :              -0.00070284111337
                3s
                   +0 :               0.00033930356038
                2p
                   -1 :               0.00152997116616
                   +0 :               0.00059213232161
                   +1 :              -0.00000216690368
                3p
                   -1 :              -0.00144383900204
                   +0 :              -0.00038267928813
                   +1 :              -0.00003475777786
                3d
                   -2 :              -0.00002426463293
                   -1 :               0.00007292328859
                   +0 :               0.00003038265364
                   +1 :               0.00007287011459
                   +2 :               0.00010478344057
              3 vec=    -7.570876      4.129085     -8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00008130694119
                2s
                   +0 :              -0.00025995417341
                3s
                   +0 :               0.00038699507632
                2p
                   -1 :              -0.00038195286492
                   +0 :              -0.00016149850544
                   +1 :               0.00029030507414
                3p
                   -1 :               0.00007221953865
                   +0 :              -0.00022331884227
                   +1 :              -0.00053119201855
                3d
                   -2 :               0.00002555805957
                   -1 :               0.00003862985880
                   +0 :              -0.00001682296325
                   +1 :               0.00005246681358
                   +2 :               0.00005254890097
              4 vec=     7.989449      4.129085     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00007194588759
                2s
                   +0 :               0.00066875244691
                3s
                   +0 :              -0.00009167686944
                2p
                   -1 :               0.00029491629263
                   +0 :              -0.00029039501348
                   +1 :               0.00069088377546
                3p
                   -1 :              -0.00047299110953
                   +0 :               0.00002913604142
                   +1 :              -0.00026861813375
                3d
                   -2 :              -0.00000171311167
                   -1 :               0.00001822086326
                   +0 :               0.00001344157478
                   +1 :              -0.00000541522500
                   +2 :               0.00006225454614
              5 vec=    -7.570876     -4.854673     -8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00019442812317
                2s
                   +0 :               0.00102411846220
                3s
                   +0 :              -0.00074987877982
                2p
                   -1 :               0.00003045435839
                   +0 :              -0.00064297707226
                   +1 :              -0.00087050530203
                3p
                   -1 :              -0.00010848026535
                   +0 :               0.00058712027413
                   +1 :               0.00103254685294
                3d
                   -2 :              -0.00002478999411
                   -1 :              -0.00001821251848
                   +0 :              -0.00004511273371
                   +1 :              -0.00014447369280
                   +2 :              -0.00010129436908
              6 vec=     7.989449     -4.854673     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00001497944844
                2s
                   +0 :              -0.00015889007655
                3s
                   +0 :               0.00005344570373
                2p
                   -1 :              -0.00031938765884
                   +0 :               0.00049386729573
                   +1 :              -0.00055786039032
                3p
                   -1 :               0.00017552562059
                   +0 :              -0.00039895502706
                   +1 :               0.00034195279618
                3d
                   -2 :               0.00000260401043
                   -1 :              -0.00000791540345
                   +0 :               0.00001031105863
                   +1 :              -0.00003618505000
                   +2 :               0.00000754623313
              7 vec=     0.209286     -9.346552     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00006278836143
                2s
                   +0 :              -0.00087676337303
                3s
                   +0 :               0.00011628575458
                2p
                   -1 :               0.00068787622897
                   +0 :               0.00053350509532
                   +1 :              -0.00016908295546
                3p
                   -1 :              -0.00029198841484
                   +0 :               0.00001209110550
                   +1 :               0.00014496617632
                3d
                   -2 :              -0.00000966940575
                   -1 :              -0.00002144259370
                   +0 :              -0.00004593058154
                   +1 :              -0.00003506059482
                   +2 :              -0.00003075788079
              8 vec=     0.209286     -0.362794     16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000241126962
                2s
                   +0 :              -0.00002332121536
                3s
                   +0 :              -0.00000319837028
                2p
                   -1 :              -0.00002836735787
                   +0 :               0.00003403687225
                   +1 :               0.00000077370146
                3p
                   -1 :               0.00001831867794
                   +0 :              -0.00004445239309
                   +1 :              -0.00000765665759
                3d
                   -2 :              -0.00000368360289
                   -1 :              -0.00000035886358
                   +0 :              -0.00000331025950
                   +1 :               0.00000068177298
                   +2 :               0.00000004633412
              9 vec=    -7.570876     13.112843     -8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00000768357562
                2s
                   +0 :              -0.00001445239006
                3s
                   +0 :               0.00007067595837
                2p
                   -1 :               0.00009057516252
                   +0 :              -0.00008895244586
                   +1 :               0.00007070356559
                3p
                   -1 :              -0.00000433161381
                   +0 :               0.00003042829464
                   +1 :              -0.00007521560283
                3d
                   -2 :              -0.00000607832574
                   -1 :               0.00000200196466
                   +0 :              -0.00000410691608
                   +1 :               0.00000287796313
                   +2 :               0.00000141240652
             10 vec=     7.989449     13.112843     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000215142872
                2s
                   +0 :               0.00004222648445
                3s
                   +0 :               0.00002036245930
                2p
                   -1 :               0.00001963134518
                   +0 :              -0.00005816015021
                   +1 :              -0.00008604318828
                3p
                   -1 :               0.00005021487192
                   +0 :              -0.00000931398505
                   +1 :               0.00010172904398
                3d
                   -2 :               0.00000671938985
                   -1 :              -0.00000392966111
                   +0 :              -0.00000373047217
                   +1 :               0.00000329419617
                   +2 :              -0.00000461575027
             11 vec=   -15.351039     -0.362794     -8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000810900443
                2s
                   +0 :               0.00006071528903
                3s
                   +0 :              -0.00002568924986
                2p
                   -1 :              -0.00013477308164
                   +0 :              -0.00005291164694
                   +1 :              -0.00004335767363
                3p
                   -1 :               0.00009771377562
                   +0 :               0.00003546600957
                   +1 :               0.00002688282275
                3d
                   -2 :              -0.00000989930114
                   -1 :              -0.00000238775018
                   +0 :               0.00000193979032
                   +1 :              -0.00001110516099
                   +2 :              -0.00000600360766
             12 vec=    15.769612     -0.362794     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00001741102318
                2s
                   +0 :               0.00011162885082
                3s
                   +0 :              -0.00005391445313
                2p
                   -1 :              -0.00001050085966
                   +0 :              -0.00000761963797
                   +1 :               0.00003093763061
                3p
                   -1 :              -0.00001040060458
                   +0 :              -0.00000761949274
                   +1 :              -0.00001821089477
                3d
                   -2 :               0.00000102956217
                   -1 :               0.00000035315382
                   +0 :               0.00000410159906
                   +1 :               0.00000287705908
                   +2 :              -0.00000289760306
             13 vec=    -7.570876    -13.838431     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000313401523
                2s
                   +0 :              -0.00003735680890
                3s
                   +0 :              -0.00002232666030
                2p
                   -1 :               0.00003403703849
                   +0 :              -0.00002029706976
                   +1 :              -0.00010090070646
                3p
                   -1 :               0.00001424083815
                   +0 :               0.00004670276441
                   +1 :               0.00012758915993
                3d
                   -2 :              -0.00000925122934
                   -1 :              -0.00000231868578
                   +0 :              -0.00000889243276
                   +1 :              -0.00000796774198
                   +2 :              -0.00000197442151
             14 vec=     7.989449    -13.838431     -8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00001467454540
                2s
                   +0 :              -0.00012835807631
                3s
                   +0 :               0.00003716817385
                2p
                   -1 :               0.00005246122646
                   +0 :               0.00004643129953
                   +1 :              -0.00009160362513
                3p
                   -1 :              -0.00000571386919
                   +0 :              -0.00001910343191
                   +1 :               0.00002947469119
                3d
                   -2 :               0.00000124512085
                   -1 :               0.00000169360923
                   +0 :              -0.00000120896672
                   +1 :              -0.00000159438612
                   +2 :              -0.00000202707867
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 29)  npairs=  15
              1 vec=    -2.802674      4.129085     -8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00009820048249
                2s
                   +0 :               0.00060923991473
                3s
                   +0 :              -0.00010776290290
                2p
                   -1 :              -0.00260086271068
                   +0 :              -0.00102799100410
                   +1 :              -0.00112493053554
                3p
                   -1 :               0.00220522912704
                   +0 :               0.00084935190914
                   +1 :               0.00137877073981
                3d
                   -2 :              -0.00000405002594
                   -1 :              -0.00017948579460
                   +0 :              -0.00000550351139
                   +1 :              -0.00015715809734
                   +2 :              -0.00000744287989
              2 vec=     4.977489     -0.362794     -8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00046447452197
                2s
                   +0 :               0.00350740563896
                3s
                   +0 :              -0.00115507722711
                2p
                   -1 :              -0.00074039906353
                   +0 :              -0.00290331984102
                   +1 :               0.00082891357371
                3p
                   -1 :              -0.00020303642432
                   +0 :               0.00094771824002
                   +1 :               0.00015780808122
                3d
                   -2 :              -0.00018936005827
                   -1 :               0.00005027856150
                   +0 :               0.00003142616941
                   +1 :              -0.00007127037747
                   +2 :              -0.00000449761813
              3 vec=    -2.802674     -4.854673     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00036079070617
                2s
                   +0 :              -0.00307365012975
                3s
                   +0 :               0.00057052832654
                2p
                   -1 :               0.00164419913952
                   +0 :               0.00159490519971
                   +1 :               0.00303547481550
                3p
                   -1 :              -0.00086987494955
                   +0 :               0.00046943546622
                   +1 :              -0.00122424742543
                3d
                   -2 :              -0.00001200241808
                   -1 :               0.00009519698111
                   +0 :              -0.00007721011834
                   +1 :              -0.00007508200303
                   +2 :              -0.00011520745550
              4 vec=     4.977489      8.620964     -8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00012061821034
                2s
                   +0 :               0.00105767434562
                3s
                   +0 :              -0.00040822371621
                2p
                   -1 :               0.00049095292708
                   +0 :              -0.00033549836955
                   +1 :              -0.00016838315729
                3p
                   -1 :              -0.00034357553281
                   +0 :               0.00010221412591
                   +1 :               0.00009327233736
                3d
                   -2 :              -0.00003111712072
                   -1 :               0.00003909477880
                   +0 :               0.00002989155754
                   +1 :               0.00000252181290
                   +2 :               0.00003703738964
              5 vec=   -10.582837     -0.362794     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00004485248013
                2s
                   +0 :              -0.00019763483717
                3s
                   +0 :               0.00010025503382
                2p
                   -1 :               0.00024324255744
                   +0 :               0.00014858209584
                   +1 :               0.00005518651490
                3p
                   -1 :              -0.00025755621724
                   +0 :              -0.00002656242704
                   +1 :              -0.00006076804080
                3d
                   -2 :               0.00001014486257
                   -1 :               0.00005651510255
                   +0 :               0.00003331303366
                   +1 :              -0.00001200814581
                   +2 :               0.00000839986143
              6 vec=     4.977489     -9.346552     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00005721227104
                2s
                   +0 :              -0.00080947097142
                3s
                   +0 :               0.00014620876154
                2p
                   -1 :               0.00032473485454
                   +0 :               0.00043191688334
                   +1 :              -0.00004304691878
                3p
                   -1 :              -0.00008915969689
                   +0 :              -0.00020159639281
                   +1 :              -0.00016208740081
                3d
                   -2 :               0.00002540685578
                   -1 :               0.00001468771797
                   +0 :               0.00001106093794
                   +1 :               0.00000201898014
                   +2 :              -0.00001649754629
              7 vec=    -2.802674     13.112843     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00000225534712
                2s
                   +0 :               0.00005573673274
                3s
                   +0 :               0.00003277784461
                2p
                   -1 :              -0.00006039964366
                   +0 :              -0.00002564051993
                   +1 :              -0.00003612265178
                3p
                   -1 :               0.00014913969527
                   +0 :              -0.00009294397343
                   +1 :               0.00003130959969
                3d
                   -2 :              -0.00001394450025
                   -1 :              -0.00000406576882
                   +0 :               0.00000121169228
                   +1 :               0.00002146764704
                   +2 :               0.00001232862665
              8 vec=    12.757651      4.129085     -8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00003294897410
                2s
                   +0 :               0.00024599326709
                3s
                   +0 :              -0.00011322775861
                2p
                   -1 :               0.00010266966827
                   +0 :              -0.00009169023579
                   +1 :               0.00017305658183
                3p
                   -1 :              -0.00010776246577
                   +0 :               0.00010147699268
                   +1 :              -0.00006839319320
                3d
                   -2 :              -0.00000775963633
                   -1 :               0.00001041395769
                   +0 :              -0.00000786328623
                   +1 :               0.00000293148960
                   +2 :               0.00000721611795
              9 vec=   -10.582837      8.620964     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00002601957610
                2s
                   +0 :               0.00020369745704
                3s
                   +0 :              -0.00005412566383
                2p
                   -1 :              -0.00002784043213
                   +0 :              -0.00003796937296
                   +1 :              -0.00022004743786
                3p
                   -1 :               0.00003419196037
                   +0 :              -0.00006594385093
                   +1 :               0.00013765049881
                3d
                   -2 :               0.00000625862397
                   -1 :              -0.00001140192494
                   +0 :               0.00000099533607
                   +1 :               0.00000631450059
                   +2 :              -0.00001128210051
             10 vec=    12.757651     -4.854673     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00002008932481
                2s
                   +0 :               0.00009873845049
                3s
                   +0 :              -0.00007409631240
                2p
                   -1 :              -0.00003160622380
                   +0 :               0.00000117395982
                   +1 :               0.00004229709185
                3p
                   -1 :               0.00003514455858
                   +0 :              -0.00000813951915
                   +1 :              -0.00006481005792
                3d
                   -2 :               0.00000146470235
                   -1 :              -0.00000138598040
                   +0 :              -0.00000091039974
                   +1 :              -0.00000117299959
                   +2 :              -0.00000370275951
             11 vec=   -10.582837     -9.346552     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00000404985185
                2s
                   +0 :              -0.00005549653809
                3s
                   +0 :              -0.00001250928639
                2p
                   -1 :              -0.00003593921977
                   +0 :              -0.00003928268555
                   +1 :               0.00011709445521
                3p
                   -1 :               0.00004890260916
                   +0 :               0.00007390407315
                   +1 :              -0.00004455196524
                3d
                   -2 :               0.00000445900410
                   -1 :              -0.00000556707897
                   +0 :              -0.00000475854678
                   +1 :               0.00000275885477
                   +2 :              -0.00000068276111
             12 vec=    -2.802674    -13.838431     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00001904621295
                2s
                   +0 :              -0.00017527140994
                3s
                   +0 :               0.00003842981095
                2p
                   -1 :               0.00019295617345
                   +0 :               0.00013260339595
                   +1 :               0.00010126985673
                3p
                   -1 :              -0.00007258469552
                   +0 :              -0.00005644815238
                   +1 :              -0.00008169269159
                3d
                   -2 :               0.00000342236143
                   -1 :               0.00000686025219
                   +0 :               0.00000135304622
                   +1 :               0.00000731463917
                   +2 :              -0.00000329519359
             13 vec=    -2.802674      4.129085     16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00001296618000
                2s
                   +0 :              -0.00007946816092
                3s
                   +0 :               0.00004681136368
                2p
                   -1 :              -0.00012574942061
                   +0 :              -0.00011621521700
                   +1 :              -0.00005841921376
                3p
                   -1 :               0.00005939827615
                   +0 :               0.00008853599355
                   +1 :               0.00001423985781
                3d
                   -2 :               0.00000339147930
                   -1 :               0.00000194157583
                   +0 :              -0.00000001626064
                   +1 :               0.00000158037546
                   +2 :               0.00000343470638
             14 vec=     4.977489     -0.362794     16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00000120218157
                2s
                   +0 :              -0.00004157837814
                3s
                   +0 :              -0.00001027101660
                2p
                   -1 :              -0.00004245235974
                   +0 :              -0.00002009571842
                   +1 :              -0.00006481813965
                3p
                   -1 :               0.00001668331560
                   +0 :              -0.00004398766839
                   +1 :               0.00003277787838
                3d
                   -2 :               0.00000692661106
                   -1 :              -0.00000032654014
                   +0 :              -0.00000980986503
                   +1 :              -0.00000310365041
                   +2 :               0.00000114096463
             15 vec=    -2.802674     -4.854673     16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00000634812855
                2s
                   +0 :              -0.00002318776892
                3s
                   +0 :               0.00001982211165
                2p
                   -1 :              -0.00004762042989
                   +0 :               0.00000523612243
                   +1 :               0.00008074963667
                3p
                   -1 :               0.00002671173058
                   +0 :               0.00001220231659
                   +1 :              -0.00005378171668
                3d
                   -2 :              -0.00000082894325
                   -1 :              -0.00000056453049
                   +0 :               0.00000045893889
                   +1 :              -0.00000143526349
                   +2 :               0.00000422762726
WF             site_B          number of pairs
WF( 21)=[O_6_2py]  to site O ( 30)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00001167970060
                2s
                   +0 :               0.00038216350689
                3s
                   +0 :               0.00010059849583
                2p
                   -1 :              -0.00113131617627
                   +0 :              -0.00018827588324
                   +1 :               0.00038406341259
                3p
                   -1 :               0.00132760650194
                   +0 :              -0.00028855459648
                   +1 :              -0.00087723608049
                3d
                   -2 :              -0.00006276053208
                   -1 :              -0.00018602503047
                   +0 :              -0.00006165086298
                   +1 :               0.00003934872339
                   +2 :              -0.00000946252378
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00018182304374
                2s
                   +0 :               0.00192042982166
                3s
                   +0 :              -0.00012425329996
                2p
                   -1 :               0.00008996398910
                   +0 :              -0.00172892659214
                   +1 :              -0.00042092363760
                3p
                   -1 :              -0.00043074301743
                   +0 :              -0.00021527115023
                   +1 :              -0.00056684636043
                3d
                   -2 :               0.00007674054412
                   -1 :              -0.00004779437217
                   +0 :               0.00008858427350
                   +1 :               0.00019329227411
                   +2 :               0.00002055743127
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00028134457830
                2s
                   +0 :              -0.00226676230708
                3s
                   +0 :               0.00026512047109
                2p
                   -1 :               0.00003712655877
                   +0 :               0.00253622304040
                   +1 :              -0.00111569735762
                3p
                   -1 :               0.00023859279889
                   +0 :              -0.00025551741632
                   +1 :              -0.00075441832026
                3d
                   -2 :               0.00010955124662
                   -1 :              -0.00001691037558
                   +0 :               0.00000250392398
                   +1 :               0.00027817232763
                   +2 :              -0.00007236090783
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00002184053359
                2s
                   +0 :               0.00028403644775
                3s
                   +0 :               0.00001982916989
                2p
                   -1 :               0.00059269323854
                   +0 :              -0.00008644269917
                   +1 :               0.00048180255445
                3p
                   -1 :              -0.00040257641471
                   +0 :              -0.00017214419563
                   +1 :              -0.00040191038535
                3d
                   -2 :               0.00004581306625
                   -1 :              -0.00000050269220
                   +0 :               0.00003992094653
                   +1 :              -0.00001494024004
                   +2 :               0.00002075675181
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001199837713
                2s
                   +0 :              -0.00000830417707
                3s
                   +0 :               0.00006841208288
                2p
                   -1 :              -0.00023999386515
                   +0 :               0.00006632965611
                   +1 :              -0.00021681125406
                3p
                   -1 :               0.00019227471187
                   +0 :              -0.00000524274278
                   +1 :               0.00021181307719
                3d
                   -2 :              -0.00002174381351
                   -1 :               0.00001398871983
                   +0 :               0.00000156633706
                   +1 :              -0.00000580274306
                   +2 :               0.00002180090720
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00001950085994
                2s
                   +0 :              -0.00038983230580
                3s
                   +0 :              -0.00007729319452
                2p
                   -1 :               0.00037008775401
                   +0 :               0.00045671343807
                   +1 :               0.00045340121875
                3p
                   -1 :              -0.00018532310576
                   +0 :              -0.00038893136213
                   +1 :              -0.00018621439000
                3d
                   -2 :               0.00000018497294
                   -1 :               0.00002768394814
                   +0 :               0.00004846944769
                   +1 :               0.00000282246809
                   +2 :               0.00001648986960
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00002040489811
                2s
                   +0 :              -0.00009799131407
                3s
                   +0 :               0.00008772246453
                2p
                   -1 :              -0.00007740513601
                   +0 :              -0.00031347698513
                   +1 :              -0.00015755582476
                3p
                   -1 :               0.00012387079262
                   +0 :               0.00021664847743
                   +1 :               0.00013195268608
                3d
                   -2 :               0.00002109257189
                   -1 :               0.00000086194893
                   +0 :              -0.00002716542810
                   +1 :              -0.00001755475796
                   +2 :              -0.00000844641325
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00001317346096
                2s
                   +0 :              -0.00002186577043
                3s
                   +0 :               0.00004545736393
                2p
                   -1 :              -0.00014472306928
                   +0 :              -0.00019160003088
                   +1 :               0.00002790566977
                3p
                   -1 :               0.00012866799296
                   +0 :               0.00007319396973
                   +1 :               0.00002415856171
                3d
                   -2 :              -0.00000213585834
                   -1 :               0.00000722289584
                   +0 :               0.00000469656567
                   +1 :              -0.00000517920132
                   +2 :              -0.00000612510567
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00000617550624
                2s
                   +0 :               0.00002289494617
                3s
                   +0 :               0.00002250343520
                2p
                   -1 :               0.00008923024848
                   +0 :               0.00006607252415
                   +1 :              -0.00016435119182
                3p
                   -1 :              -0.00008929372659
                   +0 :              -0.00005917821446
                   +1 :               0.00010563980734
                3d
                   -2 :              -0.00000149970949
                   -1 :              -0.00000595668548
                   +0 :               0.00001142372721
                   +1 :               0.00000712682964
                   +2 :              -0.00001130278927
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00000743480425
                2s
                   +0 :              -0.00008113949740
                3s
                   +0 :               0.00001829057911
                2p
                   -1 :               0.00001774257833
                   +0 :               0.00005864138130
                   +1 :               0.00008547202110
                3p
                   -1 :              -0.00003888579132
                   +0 :              -0.00003484936448
                   +1 :              -0.00002012010722
                3d
                   -2 :              -0.00001194238563
                   -1 :               0.00001449273004
                   +0 :              -0.00001033903007
                   +1 :               0.00000265066914
                   +2 :               0.00000997699190
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000456019197
                2s
                   +0 :              -0.00004811278035
                3s
                   +0 :               0.00001147739972
                2p
                   -1 :              -0.00008641740049
                   +0 :               0.00005750229465
                   +1 :              -0.00005823345758
                3p
                   -1 :               0.00006780377607
                   +0 :              -0.00001021377289
                   +1 :               0.00002059566179
                3d
                   -2 :               0.00000094039990
                   -1 :              -0.00000274132181
                   +0 :              -0.00000078641566
                   +1 :               0.00000081709290
                   +2 :               0.00000504891047
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00001189889297
                2s
                   +0 :               0.00001893709970
                3s
                   +0 :              -0.00006176479951
                2p
                   -1 :               0.00006302489214
                   +0 :               0.00006001686239
                   +1 :              -0.00000170224460
                3p
                   -1 :              -0.00000068491444
                   +0 :              -0.00000485250847
                   +1 :               0.00000130875566
                3d
                   -2 :               0.00000475725472
                   -1 :               0.00000039207410
                   +0 :               0.00000179717597
                   +1 :               0.00000581044880
                   +2 :               0.00000197462083
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000277047541
                2s
                   +0 :               0.00002725103991
                3s
                   +0 :               0.00001280239368
                2p
                   -1 :              -0.00007096031931
                   +0 :               0.00004691758270
                   +1 :              -0.00000194066353
                3p
                   -1 :               0.00001785361899
                   +0 :              -0.00000543035769
                   +1 :               0.00003691649605
                3d
                   -2 :              -0.00000176872738
                   -1 :              -0.00000156567836
                   +0 :              -0.00000055146739
                   +1 :               0.00000532067275
                   +2 :               0.00000044493364
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001734647495
                2s
                   +0 :              -0.00013643035024
                3s
                   +0 :               0.00004037525580
                2p
                   -1 :              -0.00000589603322
                   +0 :              -0.00011539359257
                   +1 :               0.00002678041043
                3p
                   -1 :              -0.00001244479036
                   +0 :               0.00003975695015
                   +1 :               0.00001340693259
                3d
                   -2 :               0.00000367764885
                   -1 :              -0.00000214662179
                   +0 :              -0.00000414527318
                   +1 :               0.00000305575422
                   +2 :              -0.00000363910288
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001310352379
                2s
                   +0 :              -0.00007215427712
                3s
                   +0 :               0.00005249550707
                2p
                   -1 :               0.00002521068607
                   +0 :              -0.00002707275728
                   +1 :              -0.00007166148749
                3p
                   -1 :              -0.00003748596637
                   +0 :               0.00002662229966
                   +1 :               0.00004803614610
                3d
                   -2 :               0.00000302293965
                   -1 :              -0.00000239720697
                   +0 :               0.00000153693348
                   +1 :              -0.00000108558852
                   +2 :               0.00000111207002
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al(  1)  npairs=  13
              1 vec=     0.000000      2.752623     -9.763049   |vec|=   10.143671
                2s
                   +0 :              -0.00048825481444
                2p
                   -1 :              -0.00033028306044
                   +0 :              -0.00022314061819
                   +1 :               0.00010496274878
                3s
                   +0 :               0.00009546287452
                4s
                   +0 :               0.00001292427058
                3p
                   -1 :               0.00132074567437
                   +0 :               0.00181610720273
                   +1 :              -0.00057265609476
                4p
                   -1 :              -0.00012505793533
                   +0 :              -0.00059805097971
                   +1 :               0.00016282702755
                3d
                   -2 :               0.00022653645998
                   -1 :               0.00062776117152
                   +0 :              -0.00014414020170
                   +1 :              -0.00011221378013
                   +2 :               0.00000361393561
              2 vec=     0.000000     -6.231135     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00075781672612
                2p
                   -1 :              -0.00007232795818
                   +0 :              -0.00016936370331
                   +1 :              -0.00010939729297
                3s
                   +0 :              -0.00267392142842
                4s
                   +0 :               0.00111373894335
                3p
                   -1 :               0.00041679902974
                   +0 :               0.00139129751533
                   +1 :               0.00063021902634
                4p
                   -1 :              -0.00012301464316
                   +0 :              -0.00049370885142
                   +1 :              -0.00024205265623
                3d
                   -2 :               0.00004864135546
                   -1 :              -0.00007338932641
                   +0 :              -0.00028213176247
                   +1 :              -0.00005300329166
                   +2 :              -0.00024491848236
              3 vec=    -7.780163     -1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00035672756967
                2p
                   -1 :               0.00016515285564
                   +0 :               0.00013423840658
                   +1 :               0.00034611926397
                3s
                   +0 :              -0.00167700427929
                4s
                   +0 :              -0.00016394350734
                3p
                   -1 :               0.00111596484045
                   +0 :               0.00030235523370
                   +1 :               0.00075027147268
                4p
                   -1 :               0.00001755250325
                   +0 :              -0.00006177132906
                   +1 :               0.00027188300363
                3d
                   -2 :              -0.00066259335221
                   -1 :              -0.00014698867041
                   +0 :               0.00034744876993
                   +1 :              -0.00012089392636
                   +2 :              -0.00016454798928
              4 vec=     7.780163     -1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00002468097818
                2p
                   -1 :              -0.00009092503025
                   +0 :               0.00005347933615
                   +1 :              -0.00021543204058
                3s
                   +0 :              -0.00163127479873
                4s
                   +0 :              -0.00007887656427
                3p
                   -1 :               0.00104293660285
                   +0 :               0.00024465243022
                   +1 :              -0.00052196740976
                4p
                   -1 :              -0.00017842664446
                   +0 :               0.00006596931240
                   +1 :              -0.00032987450575
                3d
                   -2 :               0.00029284827789
                   -1 :               0.00001870894996
                   +0 :               0.00022270533367
                   +1 :               0.00016988089821
                   +2 :              -0.00020634470824
              5 vec=    -7.780163      7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00001788076689
                2p
                   -1 :              -0.00017781642124
                   +0 :              -0.00001811738736
                   +1 :              -0.00006503586143
                3s
                   +0 :               0.00012261227663
                4s
                   +0 :              -0.00006943955918
                3p
                   -1 :               0.00087244669624
                   +0 :               0.00005113565920
                   +1 :               0.00024222403809
                4p
                   -1 :              -0.00017941531985
                   +0 :              -0.00001359649990
                   +1 :              -0.00000228936168
                3d
                   -2 :              -0.00010510657989
                   -1 :              -0.00011276458085
                   +0 :               0.00000805948638
                   +1 :              -0.00006641853979
                   +2 :              -0.00014509885098
              6 vec=     7.780163      7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00012723811819
                2p
                   -1 :               0.00006729993266
                   +0 :              -0.00002281504042
                   +1 :               0.00012320562399
                3s
                   +0 :              -0.00054437039332
                4s
                   +0 :               0.00019443118765
                3p
                   -1 :              -0.00034835582793
                   +0 :               0.00008319989794
                   +1 :              -0.00058969601866
                4p
                   -1 :               0.00013222725218
                   +0 :              -0.00000512438190
                   +1 :               0.00017470295801
                3d
                   -2 :               0.00002967062502
                   -1 :              -0.00000106713762
                   +0 :               0.00005148084833
                   +1 :               0.00010398316485
                   +2 :              -0.00005024968173
              7 vec=     0.000000      2.752623     14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00000962511273
                2p
                   -1 :               0.00005154296281
                   +0 :               0.00001083532645
                   +1 :              -0.00011113030264
                3s
                   +0 :               0.00017516574832
                4s
                   +0 :               0.00002912340189
                3p
                   -1 :              -0.00029733947386
                   +0 :               0.00002583922071
                   +1 :               0.00051374837027
                4p
                   -1 :               0.00004171332860
                   +0 :               0.00003024668369
                   +1 :              -0.00014099065631
                3d
                   -2 :              -0.00005220900197
                   -1 :              -0.00011347149752
                   +0 :              -0.00001954203905
                   +1 :               0.00005092557392
                   +2 :               0.00002288022468
              8 vec=     0.000000     11.736381     -9.763049   |vec|=   15.266295
                2s
                   +0 :              -0.00017666122198
                2p
                   -1 :              -0.00012883794486
                   +0 :               0.00016657390706
                   +1 :               0.00001618628244
                3s
                   +0 :               0.00048921592543
                4s
                   +0 :              -0.00021393548731
                3p
                   -1 :               0.00056946592513
                   +0 :              -0.00072537921397
                   +1 :              -0.00017860810668
                4p
                   -1 :              -0.00017026151865
                   +0 :               0.00022013597156
                   +1 :               0.00009815840127
                3d
                   -2 :               0.00000890582479
                   -1 :              -0.00025422702697
                   +0 :               0.00004385183116
                   +1 :              -0.00001110459912
                   +2 :              -0.00009179457417
              9 vec=     0.000000     -6.231135     14.784494   |vec|=   16.043949
                2s
                   +0 :              -0.00006779325884
                2p
                   -1 :               0.00001319137375
                   +0 :              -0.00000423794205
                   +1 :              -0.00001189971989
                3s
                   +0 :               0.00024398738085
                4s
                   +0 :               0.00000715290553
                3p
                   -1 :               0.00011284433075
                   +0 :              -0.00017558544179
                   +1 :               0.00000026159878
                4p
                   -1 :              -0.00003922383934
                   +0 :               0.00010192901683
                   +1 :               0.00000458655852
                3d
                   -2 :               0.00003660968318
                   -1 :               0.00003258322233
                   +0 :              -0.00006545427608
                   +1 :              -0.00000182457843
                   +2 :              -0.00001952446692
             10 vec=    -7.780163    -10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00006643446067
                2p
                   -1 :              -0.00003935882479
                   +0 :              -0.00000239549518
                   +1 :              -0.00001583804591
                3s
                   +0 :              -0.00023718007833
                4s
                   +0 :               0.00006832651160
                3p
                   -1 :               0.00014595927127
                   +0 :               0.00000446907501
                   +1 :               0.00003814612192
                4p
                   -1 :              -0.00005581419633
                   +0 :               0.00001397387711
                   +1 :              -0.00000536024431
                3d
                   -2 :              -0.00001677367171
                   -1 :              -0.00001171917574
                   +0 :              -0.00000535883151
                   +1 :              -0.00003949130918
                   +2 :              -0.00002113625120
             11 vec=     7.780163    -10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :               0.00008998614897
                2p
                   -1 :              -0.00006177496830
                   +0 :              -0.00000096487245
                   +1 :               0.00003035614640
                3s
                   +0 :              -0.00037190296961
                4s
                   +0 :               0.00014169727143
                3p
                   -1 :               0.00034649339764
                   +0 :              -0.00002502240157
                   +1 :              -0.00012128775477
                4p
                   -1 :              -0.00011463058087
                   +0 :               0.00000853363071
                   +1 :               0.00003625327138
                3d
                   -2 :              -0.00000062797510
                   -1 :               0.00000024490990
                   +0 :               0.00002503287781
                   +1 :              -0.00003738726200
                   +2 :              -0.00002070705350
             12 vec=    -7.780163     -1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00006470393544
                2p
                   -1 :               0.00003103109053
                   +0 :              -0.00001211944276
                   +1 :               0.00000471894079
                3s
                   +0 :               0.00045375816006
                4s
                   +0 :              -0.00013062282916
                3p
                   -1 :              -0.00011629774346
                   +0 :               0.00017949054104
                   +1 :              -0.00024262084544
                4p
                   -1 :               0.00004331701240
                   +0 :              -0.00003106497606
                   +1 :               0.00002457637130
                3d
                   -2 :              -0.00009322960594
                   -1 :               0.00001079102746
                   +0 :               0.00000265086449
                   +1 :              -0.00003080087074
                   +2 :               0.00003990828587
             13 vec=     7.780163     -1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :              -0.00003563823247
                2p
                   -1 :               0.00001351454015
                   +0 :              -0.00000323712761
                   +1 :              -0.00000773792197
                3s
                   +0 :               0.00036578374713
                4s
                   +0 :              -0.00005948723407
                3p
                   -1 :              -0.00006101940387
                   +0 :               0.00015562438592
                   +1 :               0.00029184797007
                4p
                   -1 :              -0.00000014257129
                   +0 :              -0.00001462371746
                   +1 :              -0.00002923418814
                3d
                   -2 :               0.00010667574788
                   -1 :               0.00002907307346
                   +0 :               0.00001601573862
                   +1 :               0.00000241389691
                   +2 :              -0.00007480718997
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al(  2)  npairs=  14
              1 vec=     0.000000      2.752623     -2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.02029953199410
                2p
                   -1 :              -0.02584530080303
                   +0 :               0.01876310526221
                   +1 :               0.00265543723393
                3s
                   +0 :              -0.08105308538507
                4s
                   +0 :              -0.00612650632495
                3p
                   -1 :              -0.05392624879542
                   +0 :               0.02989161527114
                   +1 :              -0.00699998199055
                4p
                   -1 :              -0.01335832793120
                   +0 :               0.00964437307620
                   +1 :               0.00312724721005
                3d
                   -2 :               0.00167316024528
                   -1 :               0.03846565873613
                   +0 :               0.00921691368950
                   +1 :              -0.00067369113252
                   +2 :               0.03848207578828
              2 vec=     0.000000     -6.231135     -2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00216129970094
                2p
                   -1 :              -0.00174435018026
                   +0 :              -0.00053040416561
                   +1 :               0.00059425052491
                3s
                   +0 :              -0.00880922504462
                4s
                   +0 :               0.00535364825141
                3p
                   -1 :               0.00673064158074
                   +0 :              -0.00000013595357
                   +1 :              -0.00300850280524
                4p
                   -1 :              -0.00314460876599
                   +0 :              -0.00155724834356
                   +1 :               0.00101170716505
                3d
                   -2 :              -0.00021472588070
                   -1 :              -0.00038841958348
                   +0 :              -0.00284795531277
                   +1 :              -0.00007347234819
                   +2 :               0.00090766980687
              3 vec=    -7.780163     -1.739256     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00067382217295
                2p
                   -1 :               0.00008249451232
                   +0 :               0.00038795935118
                   +1 :               0.00037429109459
                3s
                   +0 :               0.00623884219614
                4s
                   +0 :              -0.00283280783733
                3p
                   -1 :              -0.00141721232357
                   +0 :              -0.00456939565118
                   +1 :              -0.00458057365511
                4p
                   -1 :               0.00001830575426
                   +0 :               0.00121616350974
                   +1 :               0.00180285151743
                3d
                   -2 :               0.00038943744229
                   -1 :               0.00027546012901
                   +0 :               0.00036194266554
                   +1 :               0.00135227888796
                   +2 :               0.00066913742620
              4 vec=     7.780163     -1.739256     -2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00108926613202
                2p
                   -1 :               0.00033889486667
                   +0 :               0.00015967745351
                   +1 :              -0.00017759075016
                3s
                   +0 :               0.00430559164110
                4s
                   +0 :              -0.00212387067852
                3p
                   -1 :              -0.00108473328961
                   +0 :              -0.00116536978159
                   +1 :               0.00241295495227
                4p
                   -1 :               0.00018361028414
                   +0 :               0.00045889949782
                   +1 :              -0.00060593726743
                3d
                   -2 :              -0.00074985572258
                   -1 :               0.00056942648182
                   +0 :               0.00014647242681
                   +1 :               0.00003873162941
                   +2 :              -0.00030813813659
              5 vec=    -7.780163      7.244502     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00005774523267
                2p
                   -1 :               0.00008022837348
                   +0 :               0.00006465292289
                   +1 :              -0.00004157805302
                3s
                   +0 :              -0.00069340008365
                4s
                   +0 :               0.00041743857648
                3p
                   -1 :              -0.00055084818680
                   +0 :              -0.00008227022256
                   +1 :               0.00121004646613
                4p
                   -1 :               0.00019621902072
                   +0 :              -0.00004949119624
                   +1 :              -0.00040930587343
                3d
                   -2 :               0.00006684504104
                   -1 :               0.00009917454788
                   +0 :               0.00010647900670
                   +1 :               0.00004475673650
                   +2 :              -0.00027830793167
              6 vec=     7.780163      7.244502     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00033622596078
                2p
                   -1 :              -0.00020700130220
                   +0 :              -0.00036000447951
                   +1 :              -0.00024650542794
                3s
                   +0 :              -0.00067892555561
                4s
                   +0 :               0.00014960294022
                3p
                   -1 :               0.00044125188371
                   +0 :               0.00158137274830
                   +1 :              -0.00013558309833
                4p
                   -1 :              -0.00004860532282
                   +0 :              -0.00043743834090
                   +1 :              -0.00013599299523
                3d
                   -2 :               0.00007945236002
                   -1 :               0.00032335402233
                   +0 :              -0.00001113659048
                   +1 :               0.00001046852586
                   +2 :              -0.00035931149925
              7 vec=     0.000000     11.736381     -2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00017498873704
                2p
                   -1 :              -0.00005075211253
                   +0 :              -0.00008699926583
                   +1 :               0.00020533537836
                3s
                   +0 :              -0.00030136699092
                4s
                   +0 :              -0.00033982193066
                3p
                   -1 :               0.00059096640486
                   +0 :               0.00045814598426
                   +1 :              -0.00105774655054
                4p
                   -1 :              -0.00048123254090
                   +0 :              -0.00013416774155
                   +1 :               0.00022919302632
                3d
                   -2 :              -0.00044998619473
                   -1 :               0.00013647847166
                   +0 :              -0.00001148162138
                   +1 :               0.00011122011974
                   +2 :               0.00004384630779
              8 vec=    -7.780163    -10.723014     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00015600275199
                2p
                   -1 :              -0.00001543307956
                   +0 :               0.00007412987249
                   +1 :              -0.00000047464681
                3s
                   +0 :               0.00063220163857
                4s
                   +0 :              -0.00014981990645
                3p
                   -1 :               0.00007846646134
                   +0 :              -0.00037733633258
                   +1 :              -0.00009775755451
                4p
                   -1 :              -0.00003068262310
                   +0 :               0.00002264736108
                   +1 :               0.00004451589510
                3d
                   -2 :              -0.00013746230382
                   -1 :               0.00003624314870
                   +0 :               0.00004540211633
                   +1 :               0.00018779437032
                   +2 :               0.00023764980964
              9 vec=     7.780163    -10.723014     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00016509966379
                2p
                   -1 :               0.00004171931974
                   +0 :              -0.00008074140865
                   +1 :              -0.00000849209974
                3s
                   +0 :               0.00038487282675
                4s
                   +0 :               0.00002131415297
                3p
                   -1 :              -0.00003055280754
                   +0 :               0.00030724962242
                   +1 :              -0.00005014485782
                4p
                   -1 :              -0.00007058572119
                   +0 :              -0.00005708524175
                   +1 :               0.00007780283815
                3d
                   -2 :               0.00000342307505
                   -1 :              -0.00008092268070
                   +0 :               0.00000445399771
                   +1 :               0.00000038193410
                   +2 :               0.00003376330426
             10 vec=     0.000000    -15.214893     -2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00001390157274
                2p
                   -1 :              -0.00004713437788
                   +0 :               0.00002602867352
                   +1 :               0.00001511194282
                3s
                   +0 :              -0.00001582452838
                4s
                   +0 :               0.00001559071666
                3p
                   -1 :               0.00020629568957
                   +0 :              -0.00014406052149
                   +1 :              -0.00006308591321
                4p
                   -1 :              -0.00005821448745
                   +0 :               0.00002106455433
                   +1 :               0.00002945859146
                3d
                   -2 :              -0.00000741117246
                   -1 :               0.00005200528925
                   +0 :               0.00000988466130
                   +1 :               0.00000073899126
                   +2 :               0.00006583570484
             11 vec=   -15.560325      2.752623     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00004046767535
                2p
                   -1 :              -0.00002845548172
                   +0 :              -0.00001564651799
                   +1 :               0.00001890178148
                3s
                   +0 :              -0.00007293903099
                4s
                   +0 :              -0.00000702468528
                3p
                   -1 :               0.00003883422683
                   +0 :              -0.00006949860831
                   +1 :               0.00004892353152
                4p
                   -1 :              -0.00002936324975
                   +0 :               0.00000248207312
                   +1 :              -0.00001555117350
                3d
                   -2 :               0.00003068938645
                   -1 :              -0.00000071488220
                   +0 :              -0.00002292785693
                   +1 :               0.00004083828359
                   +2 :               0.00001413906537
             12 vec=    15.560325      2.752623     -2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00004522538312
                2p
                   -1 :               0.00006989347691
                   +0 :               0.00004049435660
                   +1 :               0.00000875209593
                3s
                   +0 :              -0.00033318365135
                4s
                   +0 :               0.00009620699861
                3p
                   -1 :              -0.00048250902761
                   +0 :              -0.00026524855234
                   +1 :              -0.00011348428740
                4p
                   -1 :               0.00011235703510
                   +0 :               0.00003198904517
                   +1 :               0.00003222500366
                3d
                   -2 :              -0.00006833484569
                   -1 :              -0.00004488672611
                   +0 :              -0.00000919943822
                   +1 :              -0.00004935046215
                   +2 :               0.00000559473868
             13 vec=   -15.560325     -6.231135     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00000115546639
                2p
                   -1 :               0.00002291253233
                   +0 :               0.00000209807949
                   +1 :              -0.00000036433487
                3s
                   +0 :               0.00000407041949
                4s
                   +0 :              -0.00000710987651
                3p
                   -1 :              -0.00012332996630
                   +0 :              -0.00003160755973
                   +1 :               0.00001283252896
                4p
                   -1 :               0.00003860372984
                   +0 :               0.00000208427334
                   +1 :              -0.00001391815834
                3d
                   -2 :               0.00001559039303
                   -1 :               0.00000219182331
                   +0 :               0.00001117928508
                   +1 :              -0.00001658164318
                   +2 :              -0.00003043155113
             14 vec=    15.560325     -6.231135     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00001125809905
                2p
                   -1 :              -0.00000835396936
                   +0 :              -0.00001279560806
                   +1 :              -0.00000751860609
                3s
                   +0 :              -0.00005506803738
                4s
                   +0 :               0.00000517432281
                3p
                   -1 :               0.00002512247464
                   +0 :               0.00001254021384
                   +1 :               0.00003455329199
                4p
                   -1 :               0.00000625092456
                   +0 :               0.00000896465070
                   +1 :              -0.00000791677794
                3d
                   -2 :               0.00000631841949
                   -1 :              -0.00000467301503
                   +0 :              -0.00001587855882
                   +1 :               0.00000873005438
                   +2 :               0.00002368948734
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Cr(  3)  npairs=  13
              1 vec=     0.000000      2.752623      9.763049   |vec|=   10.143671
                3s
                   +0 :              -0.00059363820601
                3p
                   -1 :              -0.00048714943365
                   +0 :               0.00001931981382
                   +1 :              -0.00003427640616
                4s
                   +0 :              -0.00007031784476
                5s
                   +0 :               0.00011979524730
                3d
                   -2 :              -0.00039703591149
                   -1 :              -0.00021318163617
                   +0 :               0.00076086436039
                   +1 :               0.00002551994737
                   +2 :               0.00062576967970
                4d
                   -2 :              -0.00004641625737
                   -1 :              -0.00058593594788
                   +0 :              -0.00037237958721
                   +1 :              -0.00013217522553
                   +2 :               0.00004447402328
                4p
                   -1 :               0.00061312728866
                   +0 :              -0.00053026407991
                   +1 :               0.00010581847707
              2 vec=     0.000000     -6.231135      9.763049   |vec|=   11.582062
                3s
                   +0 :               0.00063647077377
                3p
                   -1 :               0.00000646281023
                   +0 :              -0.00002206547147
                   +1 :               0.00005705550023
                4s
                   +0 :              -0.00146147792415
                5s
                   +0 :               0.00017922089390
                3d
                   -2 :               0.00015900010674
                   -1 :               0.00030486523760
                   +0 :              -0.00054964918964
                   +1 :              -0.00012896300536
                   +2 :               0.00007509554542
                4d
                   -2 :              -0.00011605871916
                   -1 :               0.00001404081749
                   +0 :              -0.00022717706359
                   +1 :              -0.00001596418633
                   +2 :              -0.00016367097659
                4p
                   -1 :               0.00011245233749
                   +0 :              -0.00031789724082
                   +1 :              -0.00008870266648
              3 vec=    -7.780163     -1.739256      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00031981311862
                3p
                   -1 :               0.00012316633348
                   +0 :              -0.00015896812013
                   +1 :               0.00053456726296
                4s
                   +0 :              -0.00042471832843
                5s
                   +0 :              -0.00010532479504
                3d
                   -2 :              -0.00040584932444
                   -1 :               0.00028678981201
                   +0 :               0.00063390996340
                   +1 :               0.00085441328067
                   +2 :              -0.00155256135543
                4d
                   -2 :              -0.00016997492559
                   -1 :              -0.00008692695795
                   +0 :               0.00002028883122
                   +1 :              -0.00004848297999
                   +2 :               0.00027005215855
                4p
                   -1 :               0.00023026741578
                   +0 :              -0.00008644134222
                   +1 :               0.00023446713835
              4 vec=     7.780163     -1.739256      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00086098574270
                3p
                   -1 :               0.00057106418447
                   +0 :              -0.00044765738392
                   +1 :              -0.00084987785970
                4s
                   +0 :              -0.00021721265257
                5s
                   +0 :              -0.00006017388885
                3d
                   -2 :               0.00166950402591
                   -1 :               0.00054898552856
                   +0 :               0.00101188036266
                   +1 :              -0.00082125114979
                   +2 :              -0.00082875840034
                4d
                   -2 :               0.00015308767427
                   -1 :              -0.00000356668178
                   +0 :              -0.00005510912779
                   +1 :               0.00002854294640
                   +2 :               0.00007711652747
                4p
                   -1 :               0.00033756597169
                   +0 :               0.00018011950184
                   +1 :              -0.00026073558011
              5 vec=    -7.780163      7.244502      9.763049   |vec|=   14.433671
                3s
                   +0 :               0.00018928686932
                3p
                   -1 :               0.00005472166571
                   +0 :               0.00005044273758
                   +1 :              -0.00014664638382
                4s
                   +0 :              -0.00045191791739
                5s
                   +0 :               0.00006997439187
                3d
                   -2 :              -0.00023881236670
                   -1 :               0.00004207777435
                   +0 :              -0.00001753623757
                   +1 :              -0.00019862346164
                   +2 :               0.00004857945324
                4d
                   -2 :               0.00001084961418
                   -1 :              -0.00003857278765
                   +0 :               0.00005239370364
                   +1 :               0.00016215925113
                   +2 :              -0.00002307289223
                4p
                   -1 :              -0.00009989032084
                   +0 :              -0.00009034677212
                   +1 :               0.00024771970117
              6 vec=     7.780163      7.244502      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00000261224142
                3p
                   -1 :              -0.00025701257558
                   +0 :               0.00003362384644
                   +1 :               0.00013357102673
                4s
                   +0 :               0.00004406913350
                5s
                   +0 :              -0.00001608852754
                3d
                   -2 :              -0.00004172011180
                   -1 :              -0.00024452610259
                   +0 :               0.00007451334545
                   +1 :               0.00009781003172
                   +2 :               0.00031935385523
                4d
                   -2 :               0.00013878749739
                   -1 :               0.00015218893643
                   +0 :               0.00001495314926
                   +1 :              -0.00009819338108
                   +2 :              -0.00017471506139
                4p
                   -1 :               0.00049138397010
                   +0 :              -0.00003122329141
                   +1 :              -0.00023803829618
              7 vec=     0.000000      2.752623    -14.784494   |vec|=   15.038557
                3s
                   +0 :               0.00013230433478
                3p
                   -1 :               0.00004970093038
                   +0 :              -0.00005143374021
                   +1 :               0.00009573210633
                4s
                   +0 :              -0.00007733231788
                5s
                   +0 :              -0.00001127726257
                3d
                   -2 :               0.00002070749335
                   -1 :              -0.00003538192605
                   +0 :              -0.00013562343779
                   +1 :              -0.00008443044935
                   +2 :              -0.00007262008880
                4d
                   -2 :               0.00000174623308
                   -1 :               0.00012314861103
                   +0 :               0.00006153314503
                   +1 :               0.00006212702064
                   +2 :              -0.00000236974342
                4p
                   -1 :              -0.00016083310390
                   +0 :               0.00004327450766
                   +1 :              -0.00018585442468
              8 vec=     0.000000     11.736381      9.763049   |vec|=   15.266295
                3s
                   +0 :              -0.00036872559243
                3p
                   -1 :              -0.00022376565095
                   +0 :              -0.00021345950131
                   +1 :               0.00002633623368
                4s
                   +0 :               0.00076463652205
                5s
                   +0 :              -0.00011383678384
                3d
                   -2 :              -0.00004502782186
                   -1 :              -0.00072913863231
                   +0 :              -0.00009231963991
                   +1 :               0.00000293964773
                   +2 :               0.00041110535826
                4d
                   -2 :               0.00000728133548
                   -1 :               0.00044083156972
                   +0 :               0.00011136159063
                   +1 :              -0.00002579439468
                   +2 :              -0.00017674611575
                4p
                   -1 :               0.00035658519957
                   +0 :               0.00037660998441
                   +1 :              -0.00001580905079
              9 vec=     0.000000     -6.231135    -14.784494   |vec|=   16.043949
                3s
                   +0 :              -0.00008761356025
                3p
                   -1 :               0.00005809267442
                   +0 :               0.00006700729614
                   +1 :               0.00003931841647
                4s
                   +0 :               0.00020630597773
                5s
                   +0 :              -0.00001049121754
                3d
                   -2 :               0.00010147006397
                   -1 :               0.00007160941709
                   +0 :              -0.00000791515686
                   +1 :              -0.00005299908543
                   +2 :              -0.00016178705716
                4d
                   -2 :              -0.00004038160030
                   -1 :               0.00001129933207
                   +0 :               0.00003015954182
                   +1 :               0.00002763893326
                   +2 :              -0.00000827040863
                4p
                   -1 :              -0.00000660988355
                   +0 :              -0.00008284585072
                   +1 :              -0.00005335765940
             10 vec=    -7.780163    -10.723014      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00015033490158
                3p
                   -1 :              -0.00006537487250
                   +0 :               0.00001874838919
                   +1 :              -0.00005304330972
                4s
                   +0 :              -0.00034606385769
                5s
                   +0 :               0.00005260055024
                3d
                   -2 :               0.00002795190004
                   -1 :              -0.00004984953157
                   +0 :              -0.00004091852736
                   +1 :               0.00003961615375
                   +2 :               0.00000118432747
                4d
                   -2 :              -0.00002844872876
                   -1 :               0.00003035416475
                   +0 :               0.00004330798753
                   +1 :              -0.00001677120917
                   +2 :              -0.00001052441892
                4p
                   -1 :               0.00013991290405
                   +0 :              -0.00002549666675
                   +1 :               0.00006934510159
             11 vec=     7.780163    -10.723014      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00009598624995
                3p
                   -1 :              -0.00006081697097
                   +0 :               0.00002199787799
                   +1 :               0.00005445311316
                4s
                   +0 :              -0.00018161896523
                5s
                   +0 :               0.00001541276238
                3d
                   -2 :              -0.00003528202386
                   -1 :              -0.00000530057761
                   +0 :              -0.00007934828519
                   +1 :              -0.00009717716890
                   +2 :              -0.00002034886126
                4d
                   -2 :               0.00005209941994
                   -1 :               0.00003861666651
                   +0 :               0.00002121359152
                   +1 :              -0.00004723234020
                   +2 :              -0.00001200926117
                4p
                   -1 :               0.00008054792914
                   +0 :              -0.00004256935043
                   +1 :              -0.00006573694201
             12 vec=    -7.780163     -1.739256    -14.784494   |vec|=   16.796940
                3s
                   +0 :               0.00002563938879
                3p
                   -1 :               0.00001840750347
                   +0 :              -0.00000438130985
                   +1 :              -0.00001735531008
                4s
                   +0 :               0.00010252687149
                5s
                   +0 :              -0.00000999924867
                3d
                   -2 :              -0.00029275539313
                   -1 :              -0.00011571748828
                   +0 :              -0.00022632043881
                   +1 :               0.00017335075317
                   +2 :              -0.00001800726254
                4d
                   -2 :              -0.00002815085930
                   -1 :              -0.00000485811966
                   +0 :               0.00000101581433
                   +1 :              -0.00000425318455
                   +2 :              -0.00003701470949
                4p
                   -1 :              -0.00000054536502
                   +0 :               0.00003921083735
                   +1 :               0.00001003380484
             13 vec=     7.780163     -1.739256    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00008498480048
                3p
                   -1 :               0.00005931760545
                   +0 :               0.00003100489210
                   +1 :               0.00003845731250
                4s
                   +0 :               0.00030208438906
                5s
                   +0 :              -0.00003142917391
                3d
                   -2 :               0.00026895850652
                   -1 :              -0.00027207545722
                   +0 :              -0.00013804939459
                   +1 :              -0.00018843743415
                   +2 :               0.00007675960622
                4d
                   -2 :               0.00005589452242
                   -1 :               0.00001251172171
                   +0 :              -0.00001428902352
                   +1 :              -0.00004761313230
                   +2 :               0.00007184513291
                4p
                   -1 :              -0.00004354355699
                   +0 :              -0.00004682507822
                   +1 :              -0.00000178249274
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al(  4)  npairs=  14
              1 vec=     0.000000      2.752623      2.510723   |vec|=    3.725676
                2s
                   +0 :               0.02037486570876
                2p
                   -1 :               0.02589827622237
                   +0 :               0.01880185859988
                   +1 :               0.00267659007756
                3s
                   +0 :               0.08027703896607
                4s
                   +0 :               0.00616140335152
                3p
                   -1 :               0.05333126230923
                   +0 :               0.02977846863550
                   +1 :              -0.00710262372393
                4p
                   -1 :               0.01340470489744
                   +0 :               0.00966841649823
                   +1 :               0.00316593085612
                3d
                   -2 :               0.00169059122678
                   -1 :               0.03842762165855
                   +0 :              -0.00902623367669
                   +1 :               0.00068028499197
                   +2 :              -0.03839568612313
              2 vec=     0.000000     -6.231135      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00220212192399
                2p
                   -1 :               0.00175759937891
                   +0 :              -0.00053767959302
                   +1 :               0.00059041120422
                3s
                   +0 :               0.00883355292824
                4s
                   +0 :              -0.00538269553578
                3p
                   -1 :              -0.00671950894669
                   +0 :               0.00011236043324
                   +1 :              -0.00297223409584
                4p
                   -1 :               0.00315411764401
                   +0 :              -0.00158541615615
                   +1 :               0.00099350888046
                3d
                   -2 :              -0.00021690267068
                   -1 :              -0.00040439000271
                   +0 :               0.00281246263778
                   +1 :               0.00006172259097
                   +2 :              -0.00089508588865
              3 vec=    -7.780163     -1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00108091740619
                2p
                   -1 :              -0.00034518271558
                   +0 :               0.00017391886688
                   +1 :              -0.00017319813261
                3s
                   +0 :              -0.00430116808381
                4s
                   +0 :               0.00211908468130
                3p
                   -1 :               0.00115264871869
                   +0 :              -0.00127392069482
                   +1 :               0.00240100215570
                4p
                   -1 :              -0.00019853131701
                   +0 :               0.00048011113145
                   +1 :              -0.00060356279053
                3d
                   -2 :              -0.00075826006264
                   -1 :               0.00056048646031
                   +0 :              -0.00012785878695
                   +1 :              -0.00000818504708
                   +2 :               0.00031960629238
              4 vec=     7.780163     -1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00065233161789
                2p
                   -1 :              -0.00009491925133
                   +0 :               0.00040592737734
                   +1 :               0.00037035153855
                3s
                   +0 :              -0.00618249053956
                4s
                   +0 :               0.00281420388645
                3p
                   -1 :               0.00149769526440
                   +0 :              -0.00470489496536
                   +1 :              -0.00457250572486
                4p
                   -1 :              -0.00003229986930
                   +0 :               0.00124268699689
                   +1 :               0.00180350306187
                3d
                   -2 :               0.00040303464319
                   -1 :               0.00027907632933
                   +0 :              -0.00034480358910
                   +1 :              -0.00137501202973
                   +2 :              -0.00065680937869
              5 vec=    -7.780163      7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00031922821948
                2p
                   -1 :               0.00019831173728
                   +0 :              -0.00035755185537
                   +1 :              -0.00023663950095
                3s
                   +0 :               0.00072176980824
                4s
                   +0 :              -0.00016649251258
                3p
                   -1 :              -0.00039518588826
                   +0 :               0.00158320824209
                   +1 :              -0.00016931238505
                4p
                   -1 :               0.00004431115127
                   +0 :              -0.00043607896413
                   +1 :              -0.00013007373361
                3d
                   -2 :               0.00006314301276
                   -1 :               0.00031302724339
                   +0 :               0.00000700781936
                   +1 :              -0.00001007935514
                   +2 :               0.00035328797597
              6 vec=     7.780163      7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00005212566886
                2p
                   -1 :              -0.00007636839965
                   +0 :               0.00007002653816
                   +1 :              -0.00004366881966
                3s
                   +0 :               0.00068215595726
                4s
                   +0 :              -0.00041582701354
                3p
                   -1 :               0.00053875730710
                   +0 :              -0.00010506911704
                   +1 :               0.00120545427982
                4p
                   -1 :              -0.00019163441638
                   +0 :              -0.00004295395500
                   +1 :              -0.00041179561275
                3d
                   -2 :               0.00007308912773
                   -1 :               0.00009568000645
                   +0 :              -0.00010360722635
                   +1 :              -0.00004674735416
                   +2 :               0.00028158288248
              7 vec=     0.000000     11.736381      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00015701756602
                2p
                   -1 :               0.00004846704319
                   +0 :              -0.00008511190705
                   +1 :               0.00021117149038
                3s
                   +0 :               0.00020701093918
                4s
                   +0 :               0.00036893441119
                3p
                   -1 :              -0.00058600217480
                   +0 :               0.00045621882848
                   +1 :              -0.00108543581168
                4p
                   -1 :               0.00047781743747
                   +0 :              -0.00014144433284
                   +1 :               0.00023599513771
                3d
                   -2 :              -0.00045298498848
                   -1 :               0.00013074030420
                   +0 :               0.00000496370342
                   +1 :              -0.00010957979414
                   +2 :              -0.00004541671888
              8 vec=    -7.780163    -10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00015932264451
                2p
                   -1 :              -0.00003343991004
                   +0 :              -0.00008153580504
                   +1 :              -0.00000942796383
                3s
                   +0 :              -0.00034991093816
                4s
                   +0 :              -0.00002011345954
                3p
                   -1 :              -0.00001189939674
                   +0 :               0.00031499347632
                   +1 :              -0.00004691068822
                4p
                   -1 :               0.00007276664242
                   +0 :              -0.00005908674149
                   +1 :               0.00007328895130
                3d
                   -2 :               0.00001378746915
                   -1 :              -0.00008175487702
                   +0 :              -0.00001419596219
                   +1 :               0.00000431576271
                   +2 :              -0.00004153634235
              9 vec=     7.780163    -10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00015411670618
                2p
                   -1 :               0.00001366270345
                   +0 :               0.00007581209435
                   +1 :               0.00000393641782
                3s
                   +0 :              -0.00059638500956
                4s
                   +0 :               0.00015141048559
                3p
                   -1 :              -0.00008566103067
                   +0 :              -0.00038319154295
                   +1 :              -0.00011265787820
                4p
                   -1 :               0.00002688530750
                   +0 :               0.00002587724055
                   +1 :               0.00005026067205
                3d
                   -2 :              -0.00013617534751
                   -1 :               0.00003142422115
                   +0 :              -0.00005485765269
                   +1 :              -0.00019036366758
                   +2 :              -0.00024514161450
             10 vec=     0.000000    -15.214893      2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00003325213988
                2p
                   -1 :               0.00005557558859
                   +0 :               0.00003129745069
                   +1 :               0.00001642739492
                3s
                   +0 :               0.00010265137224
                4s
                   +0 :              -0.00003119252794
                3p
                   -1 :              -0.00026024053043
                   +0 :              -0.00016930502138
                   +1 :              -0.00007281257415
                4p
                   -1 :               0.00006496258771
                   +0 :               0.00002469594598
                   +1 :               0.00003250595586
                3d
                   -2 :              -0.00000522939647
                   -1 :               0.00006490949611
                   +0 :              -0.00001262036973
                   +1 :               0.00000129471779
                   +2 :              -0.00007764000694
             11 vec=   -15.560325      2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00004420443171
                2p
                   -1 :              -0.00006935576623
                   +0 :               0.00004218850148
                   +1 :               0.00000742965401
                3s
                   +0 :               0.00034269273050
                4s
                   +0 :              -0.00009949345293
                3p
                   -1 :               0.00047032880659
                   +0 :              -0.00027040459061
                   +1 :              -0.00011274635535
                4p
                   -1 :              -0.00011369105089
                   +0 :               0.00003785470394
                   +1 :               0.00003168899727
                3d
                   -2 :              -0.00006427364480
                   -1 :              -0.00004497197090
                   +0 :               0.00001072885641
                   +1 :               0.00005023354528
                   +2 :              -0.00000174917610
             12 vec=    15.560325      2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00003958026287
                2p
                   -1 :               0.00002973310569
                   +0 :              -0.00001353540191
                   +1 :               0.00002055983357
                3s
                   +0 :               0.00009023482801
                4s
                   +0 :               0.00000147809589
                3p
                   -1 :              -0.00005559863191
                   +0 :              -0.00007287027973
                   +1 :               0.00004191614486
                4p
                   -1 :               0.00003018617051
                   +0 :               0.00000754358550
                   +1 :              -0.00001476211203
                3d
                   -2 :               0.00002438200491
                   -1 :               0.00000492013692
                   +0 :               0.00002354799509
                   +1 :              -0.00003935258774
                   +2 :              -0.00000969716516
             13 vec=   -15.560325     -6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00000929697705
                2p
                   -1 :               0.00000524765800
                   +0 :              -0.00001233723895
                   +1 :              -0.00000758180834
                3s
                   +0 :               0.00006086482797
                4s
                   +0 :              -0.00000332436390
                3p
                   -1 :              -0.00001207476206
                   +0 :               0.00001380118899
                   +1 :               0.00003510982479
                4p
                   -1 :              -0.00000932836286
                   +0 :               0.00000890343258
                   +1 :              -0.00000965451264
                3d
                   -2 :               0.00000428657263
                   -1 :              -0.00000824351342
                   +0 :               0.00001297475274
                   +1 :              -0.00000697303015
                   +2 :              -0.00002089570805
             14 vec=    15.560325     -6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00000346637833
                2p
                   -1 :              -0.00002350379852
                   +0 :               0.00000283643515
                   +1 :               0.00000113120437
                3s
                   +0 :              -0.00000217596175
                4s
                   +0 :               0.00000941397188
                3p
                   -1 :               0.00012471066006
                   +0 :              -0.00003544837392
                   +1 :               0.00000891505867
                4p
                   -1 :              -0.00003778437526
                   +0 :               0.00000360505039
                   +1 :              -0.00001369513730
                3d
                   -2 :               0.00001548354859
                   -1 :               0.00000363328310
                   +0 :              -0.00001483425712
                   +1 :               0.00001604192776
                   +2 :               0.00003054350945
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al(  5)  npairs=  14
              1 vec=    -2.593388     -1.739256     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.02247134027603
                2p
                   -1 :               0.01141172055411
                   +0 :               0.00425713147392
                   +1 :               0.01905109345979
                3s
                   +0 :              -0.03289251390016
                4s
                   +0 :              -0.00937578260949
                3p
                   -1 :               0.03543346451626
                   +0 :              -0.01444988469555
                   +1 :               0.04665890685135
                4p
                   -1 :               0.00320137875152
                   +0 :               0.00308419354571
                   +1 :               0.00911432810969
                3d
                   -2 :              -0.03426856698859
                   -1 :               0.00003962031291
                   +0 :               0.03081230138315
                   +1 :              -0.00153471777869
                   +2 :              -0.01542456134635
              2 vec=     5.186775      2.752623     -1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00177312862029
                2p
                   -1 :               0.00065638069590
                   +0 :               0.00035248922269
                   +1 :               0.00130520457258
                3s
                   +0 :              -0.00378358688530
                4s
                   +0 :               0.00359008208605
                3p
                   -1 :              -0.00511611933335
                   +0 :               0.00144558200231
                   +1 :              -0.00377032581591
                4p
                   -1 :               0.00146132050162
                   +0 :               0.00049065883260
                   +1 :               0.00151710641803
                3d
                   -2 :              -0.00265754706260
                   -1 :               0.00077816434413
                   +0 :              -0.00014635837719
                   +1 :               0.00149814830188
                   +2 :              -0.00049354902935
              3 vec=    -2.593388      7.244502     -1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00018853754962
                2p
                   -1 :              -0.00031717285822
                   +0 :              -0.00020729604462
                   +1 :              -0.00071082927320
                3s
                   +0 :               0.00577638246420
                4s
                   +0 :              -0.00090949320187
                3p
                   -1 :               0.00767146204762
                   +0 :               0.00144996442344
                   +1 :               0.00289798977083
                4p
                   -1 :              -0.00082652123863
                   +0 :              -0.00105093201717
                   +1 :              -0.00083586412916
                3d
                   -2 :               0.00091113421948
                   -1 :              -0.00075406781802
                   +0 :              -0.00116439141603
                   +1 :              -0.00030774935419
                   +2 :              -0.00195441134970
              4 vec=     5.186775     -6.231135     -1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00050019101078
                2p
                   -1 :              -0.00098150665446
                   +0 :               0.00021533450532
                   +1 :               0.00010689659871
                3s
                   +0 :              -0.00214609087988
                4s
                   +0 :               0.00081139666988
                3p
                   -1 :               0.00449488275957
                   +0 :              -0.00096112827755
                   +1 :               0.00013188537431
                4p
                   -1 :              -0.00143408445040
                   +0 :               0.00024628255637
                   +1 :              -0.00004422683713
                3d
                   -2 :               0.00043318799073
                   -1 :              -0.00053709922540
                   +0 :              -0.00002618021000
                   +1 :              -0.00056998353922
                   +2 :               0.00071230510864
              5 vec=   -10.373550      2.752623     -1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00011532759720
                2p
                   -1 :               0.00004561010810
                   +0 :               0.00009434472777
                   +1 :               0.00000718030730
                3s
                   +0 :              -0.00051370263971
                4s
                   +0 :               0.00008311988059
                3p
                   -1 :              -0.00080060162793
                   +0 :              -0.00129876454408
                   +1 :               0.00078460751539
                4p
                   -1 :               0.00018510951914
                   +0 :               0.00017201486745
                   +1 :              -0.00028232003476
                3d
                   -2 :               0.00015809477194
                   -1 :               0.00001007411884
                   +0 :              -0.00017918833685
                   +1 :               0.00032542179022
                   +2 :              -0.00001407103430
              6 vec=    -2.593388    -10.723014     -1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00000089758314
                2p
                   -1 :              -0.00003033095575
                   +0 :               0.00000218932097
                   +1 :               0.00004621089118
                3s
                   +0 :              -0.00112228864116
                4s
                   +0 :               0.00035051531570
                3p
                   -1 :               0.00087172278296
                   +0 :              -0.00062040237167
                   +1 :              -0.00014492020964
                4p
                   -1 :              -0.00026323949021
                   +0 :               0.00008350784149
                   +1 :              -0.00000962480503
                3d
                   -2 :               0.00023546587814
                   -1 :               0.00024811292114
                   +0 :              -0.00026263502327
                   +1 :              -0.00012910971108
                   +2 :               0.00011812038290
              7 vec=   -10.373550     -6.231135     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00015661372638
                2p
                   -1 :              -0.00011691232544
                   +0 :              -0.00022552367085
                   +1 :              -0.00002583518064
                3s
                   +0 :              -0.00037240228562
                4s
                   +0 :              -0.00005020454075
                3p
                   -1 :               0.00057681720963
                   +0 :               0.00105120351483
                   +1 :               0.00007550977687
                4p
                   -1 :              -0.00004854396611
                   +0 :              -0.00025080459454
                   +1 :               0.00005090052815
                3d
                   -2 :              -0.00010364228828
                   -1 :              -0.00011120233077
                   +0 :              -0.00006672474889
                   +1 :              -0.00006595773998
                   +2 :               0.00004588296361
              8 vec=     5.186775     11.736381     -1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00005672066565
                2p
                   -1 :              -0.00013589550471
                   +0 :               0.00021151145978
                   +1 :               0.00014853077138
                3s
                   +0 :              -0.00044745871360
                4s
                   +0 :               0.00026933713259
                3p
                   -1 :               0.00055693790368
                   +0 :              -0.00091443101347
                   +1 :              -0.00076204744610
                4p
                   -1 :              -0.00007069804383
                   +0 :               0.00022275483156
                   +1 :               0.00023266560836
                3d
                   -2 :               0.00007252519820
                   -1 :              -0.00016933358711
                   +0 :              -0.00010563207176
                   +1 :              -0.00011813164805
                   +2 :              -0.00029601150209
              9 vec=    12.966938     -1.739256     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00022351797925
                2p
                   -1 :               0.00010501350724
                   +0 :               0.00001093146097
                   +1 :              -0.00011894123864
                3s
                   +0 :               0.00053298417002
                4s
                   +0 :              -0.00025475066813
                3p
                   -1 :              -0.00041594883362
                   +0 :               0.00026755344511
                   +1 :               0.00047124618731
                4p
                   -1 :               0.00013951158980
                   +0 :              -0.00004750917493
                   +1 :              -0.00011031168773
                3d
                   -2 :              -0.00007554084718
                   -1 :              -0.00002076388386
                   +0 :              -0.00009264495227
                   +1 :              -0.00003245389400
                   +2 :               0.00002735003660
             10 vec=    12.966938      7.244502     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00004621340735
                2p
                   -1 :               0.00000844569542
                   +0 :               0.00001867011002
                   +1 :              -0.00000768552540
                3s
                   +0 :               0.00018583526451
                4s
                   +0 :              -0.00007869288189
                3p
                   -1 :              -0.00002724791438
                   +0 :               0.00002169377257
                   +1 :               0.00015461526342
                4p
                   -1 :               0.00001650956136
                   +0 :              -0.00001299947899
                   +1 :              -0.00006890085627
                3d
                   -2 :              -0.00002293616152
                   -1 :               0.00002967804126
                   +0 :              -0.00006045019144
                   +1 :               0.00004874422522
                   +2 :               0.00004621873042
             11 vec=   -10.373550     11.736381     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00001106484618
                2p
                   -1 :               0.00001912549284
                   +0 :              -0.00001001743043
                   +1 :               0.00002878490469
                3s
                   +0 :              -0.00005204461122
                4s
                   +0 :               0.00003206168843
                3p
                   -1 :              -0.00011196264396
                   +0 :              -0.00005922931761
                   +1 :              -0.00015187689994
                4p
                   -1 :               0.00005301936542
                   +0 :               0.00004775414094
                   +1 :               0.00005110008371
                3d
                   -2 :              -0.00005609799131
                   -1 :              -0.00001656070204
                   +0 :              -0.00000240284271
                   +1 :              -0.00000278834232
                   +2 :              -0.00001259422329
             12 vec=     5.186775    -15.214893     -1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00001106343010
                2p
                   -1 :              -0.00000063489962
                   +0 :               0.00001196402155
                   +1 :              -0.00000690729366
                3s
                   +0 :              -0.00007762328263
                4s
                   +0 :               0.00002282090342
                3p
                   -1 :               0.00004274316725
                   +0 :              -0.00009015650192
                   +1 :               0.00006829781092
                4p
                   -1 :              -0.00001035192647
                   +0 :               0.00000446897234
                   +1 :              -0.00001400707141
                3d
                   -2 :              -0.00000260124963
                   -1 :               0.00001679016417
                   +0 :              -0.00003580033509
                   +1 :              -0.00000477511545
                   +2 :               0.00002065891412
             13 vec=    -2.593388     16.228260     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00002210030162
                2p
                   -1 :              -0.00002594014364
                   +0 :               0.00000349030366
                   +1 :              -0.00000847508695
                3s
                   +0 :               0.00017813698628
                4s
                   +0 :              -0.00011821467378
                3p
                   -1 :               0.00022665042362
                   +0 :              -0.00000896382010
                   +1 :              -0.00000928783248
                4p
                   -1 :              -0.00009291730156
                   +0 :              -0.00000095990549
                   +1 :               0.00002812944489
                3d
                   -2 :               0.00000058218886
                   -1 :              -0.00000268258215
                   +0 :               0.00002006360506
                   +1 :               0.00001577004993
                   +2 :              -0.00003694659791
             14 vec=    12.966938    -10.723014     -1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00002331531013
                2p
                   -1 :               0.00002418666984
                   +0 :               0.00001390671700
                   +1 :              -0.00000889059445
                3s
                   +0 :              -0.00012192008271
                4s
                   +0 :               0.00005289978342
                3p
                   -1 :              -0.00011603776443
                   +0 :              -0.00006080793562
                   +1 :               0.00001282735329
                4p
                   -1 :               0.00002809281803
                   +0 :               0.00000909934176
                   +1 :               0.00001089208463
                3d
                   -2 :              -0.00003735833525
                   -1 :               0.00002535882495
                   +0 :              -0.00001971952823
                   +1 :               0.00001022900465
                   +2 :               0.00000792486015
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al(  6)  npairs=  14
              1 vec=    -2.593388     -1.739256      5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00462846692519
                2p
                   -1 :               0.00147200796521
                   +0 :              -0.00280851817766
                   +1 :               0.00165957743978
                3s
                   +0 :               0.01125636646880
                4s
                   +0 :              -0.00744219086132
                3p
                   -1 :              -0.00434754967538
                   +0 :               0.01197041632596
                   +1 :              -0.00593754976176
                4p
                   -1 :               0.00218039533282
                   +0 :              -0.00551072691283
                   +1 :               0.00320332645476
                3d
                   -2 :              -0.00138537771571
                   -1 :              -0.00048900844076
                   +0 :               0.00208195988666
                   +1 :              -0.00090129208847
                   +2 :              -0.00022452995960
              2 vec=     5.186775      2.752623      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00136707024613
                2p
                   -1 :               0.00044406713822
                   +0 :               0.00051548892153
                   +1 :               0.00118241166971
                3s
                   +0 :               0.00900611772545
                4s
                   +0 :               0.00158464130591
                3p
                   -1 :               0.00702940819353
                   +0 :               0.00050108878106
                   +1 :               0.00321479371462
                4p
                   -1 :              -0.00020411005923
                   +0 :               0.00040670724800
                   +1 :               0.00191861538372
                3d
                   -2 :               0.00343207384673
                   -1 :               0.00073640740813
                   +0 :              -0.00210752996479
                   +1 :               0.00032356468537
                   +2 :               0.00030217983994
              3 vec=    -2.593388      7.244502      5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00053450256234
                2p
                   -1 :              -0.00079484606357
                   +0 :               0.00009750484316
                   +1 :              -0.00067543093192
                3s
                   +0 :              -0.00112192615617
                4s
                   +0 :               0.00028981141925
                3p
                   -1 :               0.00347224827579
                   +0 :              -0.00049693340305
                   +1 :               0.00334395023163
                4p
                   -1 :              -0.00077754356122
                   +0 :               0.00022278663722
                   +1 :              -0.00069211491427
                3d
                   -2 :              -0.00062961361291
                   -1 :               0.00093553633217
                   +0 :               0.00016007086047
                   +1 :               0.00027881489174
                   +2 :              -0.00078675513136
              4 vec=     5.186775     -6.231135      5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00002605474779
                2p
                   -1 :              -0.00026169678515
                   +0 :              -0.00035955485320
                   +1 :               0.00018423440553
                3s
                   +0 :              -0.00010337152412
                4s
                   +0 :               0.00019643914696
                3p
                   -1 :               0.00133657025638
                   +0 :               0.00231386431541
                   +1 :              -0.00072800233401
                4p
                   -1 :              -0.00052385521134
                   +0 :              -0.00062621869893
                   +1 :               0.00052108989322
                3d
                   -2 :              -0.00017574175442
                   -1 :              -0.00029662657596
                   +0 :               0.00021040624292
                   +1 :               0.00026013247539
                   +2 :               0.00039397522612
              5 vec=   -10.373550      2.752623      5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00034488073605
                2p
                   -1 :               0.00018857785626
                   +0 :               0.00017106059749
                   +1 :              -0.00017376861813
                3s
                   +0 :              -0.00069447191512
                4s
                   +0 :               0.00037396869926
                3p
                   -1 :              -0.00058838313102
                   +0 :               0.00001247176694
                   +1 :               0.00091811615052
                4p
                   -1 :               0.00022704888383
                   +0 :               0.00012787082423
                   +1 :              -0.00024689772049
                3d
                   -2 :               0.00006980246288
                   -1 :               0.00006408720393
                   +0 :               0.00024316237103
                   +1 :              -0.00001036481475
                   +2 :              -0.00011141643053
              6 vec=    -2.593388    -10.723014      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00051288332275
                2p
                   -1 :              -0.00033103872448
                   +0 :               0.00018092524928
                   +1 :               0.00000754445058
                3s
                   +0 :              -0.00138595836347
                4s
                   +0 :               0.00031687611150
                3p
                   -1 :               0.00155471908604
                   +0 :              -0.00066910047072
                   +1 :               0.00004367941994
                4p
                   -1 :              -0.00023288401019
                   +0 :               0.00011984576242
                   +1 :               0.00009374078267
                3d
                   -2 :              -0.00013267342937
                   -1 :               0.00040364962686
                   +0 :               0.00011264567453
                   +1 :               0.00009732875309
                   +2 :               0.00041392956584
              7 vec=   -10.373550     -6.231135      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00013103803729
                2p
                   -1 :              -0.00001676483911
                   +0 :              -0.00004182671245
                   +1 :               0.00011733512860
                3s
                   +0 :               0.00089875883970
                4s
                   +0 :              -0.00021157059463
                3p
                   -1 :              -0.00002537717421
                   +0 :               0.00001239848781
                   +1 :              -0.00078347648090
                4p
                   -1 :               0.00002625010718
                   +0 :               0.00006013193352
                   +1 :               0.00017627423770
                3d
                   -2 :              -0.00003794731795
                   -1 :               0.00001829586815
                   +0 :               0.00002071080631
                   +1 :              -0.00006431589162
                   +2 :               0.00019268809508
              8 vec=     5.186775     11.736381      5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00041527439865
                2p
                   -1 :               0.00013623249666
                   +0 :               0.00005026998989
                   +1 :               0.00026708425482
                3s
                   +0 :              -0.00100196714596
                4s
                   +0 :               0.00020058696535
                3p
                   -1 :              -0.00035150713423
                   +0 :              -0.00024054472810
                   +1 :              -0.00109275138812
                4p
                   -1 :              -0.00003801922573
                   +0 :               0.00006149453978
                   +1 :               0.00018364671776
                3d
                   -2 :              -0.00024354795530
                   -1 :              -0.00007882268107
                   +0 :               0.00009236585265
                   +1 :              -0.00017348635286
                   +2 :              -0.00008536166715
              9 vec=    12.966938     -1.739256      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00003637754239
                2p
                   -1 :               0.00006834532424
                   +0 :               0.00003499967993
                   +1 :              -0.00003849420701
                3s
                   +0 :               0.00021215980267
                4s
                   +0 :               0.00007316713152
                3p
                   -1 :              -0.00042531650889
                   +0 :              -0.00038797230724
                   +1 :               0.00014157915987
                4p
                   -1 :               0.00004605933764
                   +0 :               0.00008575882768
                   +1 :               0.00002828246903
                3d
                   -2 :              -0.00007203254604
                   -1 :              -0.00003017699841
                   +0 :               0.00005177774492
                   +1 :              -0.00000439915592
                   +2 :               0.00009443012593
             10 vec=    12.966938      7.244502      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00004651537824
                2p
                   -1 :               0.00000390232323
                   +0 :               0.00001215375110
                   +1 :               0.00000767193552
                3s
                   +0 :              -0.00006781028047
                4s
                   +0 :               0.00000726364631
                3p
                   -1 :              -0.00006267904189
                   +0 :              -0.00006819672038
                   +1 :               0.00002966452325
                4p
                   -1 :               0.00001276734307
                   +0 :               0.00000140166379
                   +1 :              -0.00001758283870
                3d
                   -2 :              -0.00001932918098
                   -1 :              -0.00002359430767
                   +0 :              -0.00001244616317
                   +1 :              -0.00003086964987
                   +2 :               0.00000520871432
             11 vec=   -10.373550     11.736381      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00003570759963
                2p
                   -1 :               0.00003063883204
                   +0 :              -0.00000335636478
                   +1 :               0.00001517704494
                3s
                   +0 :               0.00022782212407
                4s
                   +0 :              -0.00003069601993
                3p
                   -1 :              -0.00015464002046
                   +0 :               0.00009575984196
                   +1 :              -0.00016693810366
                4p
                   -1 :               0.00005052286659
                   +0 :              -0.00001370889013
                   +1 :               0.00002534417781
                3d
                   -2 :               0.00002104959331
                   -1 :              -0.00002571947975
                   +0 :               0.00001177254063
                   +1 :              -0.00005891236797
                   +2 :               0.00003595971369
             12 vec=     5.186775    -15.214893      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00003166824533
                2p
                   -1 :              -0.00004726915049
                   +0 :               0.00000663357138
                   +1 :               0.00000111294965
                3s
                   +0 :               0.00002332108907
                4s
                   +0 :               0.00005506987479
                3p
                   -1 :               0.00013854947918
                   +0 :               0.00006243527793
                   +1 :              -0.00006145820244
                4p
                   -1 :              -0.00005834576286
                   +0 :              -0.00000811753975
                   +1 :               0.00001797028169
                3d
                   -2 :               0.00003606758232
                   -1 :               0.00000885766989
                   +0 :               0.00002692606220
                   +1 :              -0.00000815812298
                   +2 :               0.00003178668431
             13 vec=    -2.593388     16.228260      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00001543046550
                2p
                   -1 :              -0.00002876737237
                   +0 :              -0.00000863484013
                   +1 :              -0.00000477708468
                3s
                   +0 :               0.00006719586518
                4s
                   +0 :              -0.00006178390066
                3p
                   -1 :               0.00024269583694
                   +0 :               0.00008400565544
                   +1 :               0.00003543220710
                4p
                   -1 :              -0.00010264137827
                   +0 :              -0.00004089338364
                   +1 :              -0.00000064346879
                3d
                   -2 :               0.00002629755912
                   -1 :               0.00002478002853
                   +0 :               0.00001335847954
                   +1 :               0.00000994418470
                   +2 :              -0.00004566055599
             14 vec=    12.966938    -10.723014      5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00000757441738
                2p
                   -1 :              -0.00000060348537
                   +0 :               0.00000721573182
                   +1 :               0.00001979094898
                3s
                   +0 :               0.00005117128381
                4s
                   +0 :               0.00001276892550
                3p
                   -1 :              -0.00000504774302
                   +0 :              -0.00006805079880
                   +1 :              -0.00009881784677
                4p
                   -1 :               0.00000178890194
                   +0 :               0.00002112058655
                   +1 :               0.00004263757811
                3d
                   -2 :               0.00001204644764
                   -1 :               0.00002090445610
                   +0 :               0.00001205605626
                   +1 :              -0.00002783077371
                   +2 :              -0.00000670459301
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al(  7)  npairs=  13
              1 vec=    -2.593388     -1.739256     -6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00164813756860
                2p
                   -1 :              -0.00064114701612
                   +0 :              -0.00128652931657
                   +1 :              -0.00085560264660
                3s
                   +0 :              -0.00675501508476
                4s
                   +0 :               0.00243409989242
                3p
                   -1 :               0.00110355682583
                   +0 :              -0.00034888575104
                   +1 :               0.00076595759616
                4p
                   -1 :              -0.00007968920623
                   +0 :              -0.00173464969899
                   +1 :              -0.00027336112939
                3d
                   -2 :               0.00261793700360
                   -1 :               0.00134038232746
                   +0 :               0.00269957499168
                   +1 :               0.00219454460814
                   +2 :               0.00222137205667
              2 vec=     5.186775      2.752623     -6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00121491609380
                2p
                   -1 :               0.00021069480801
                   +0 :               0.00009620648565
                   +1 :              -0.00027318680574
                3s
                   +0 :              -0.01650881942066
                4s
                   +0 :               0.00033710838748
                3p
                   -1 :              -0.00672499369745
                   +0 :               0.00819875049058
                   +1 :              -0.00756027305871
                4p
                   -1 :               0.00034065629790
                   +0 :               0.00054173179761
                   +1 :              -0.00071842854016
                3d
                   -2 :              -0.00265838644071
                   -1 :               0.00242758354431
                   +0 :              -0.00062364112913
                   +1 :               0.00357615818640
                   +2 :              -0.00110549179381
              3 vec=    -2.593388      7.244502     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00064565851961
                2p
                   -1 :               0.00056363384236
                   +0 :               0.00038807435380
                   +1 :               0.00053371440766
                3s
                   +0 :              -0.00055710827024
                4s
                   +0 :               0.00107243151735
                3p
                   -1 :              -0.00404869620203
                   +0 :              -0.00108345220005
                   +1 :              -0.00163380805609
                4p
                   -1 :               0.00146269055440
                   +0 :              -0.00024927270501
                   +1 :               0.00020613565758
                3d
                   -2 :               0.00053751734608
                   -1 :               0.00025510135834
                   +0 :              -0.00039208674236
                   +1 :               0.00027770434969
                   +2 :               0.00124335659100
              4 vec=     5.186775     -6.231135     -6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00047687764226
                2p
                   -1 :              -0.00009810242534
                   +0 :              -0.00001220333248
                   +1 :               0.00017770864471
                3s
                   +0 :              -0.00240707109822
                4s
                   +0 :               0.00080741477761
                3p
                   -1 :               0.00140049369672
                   +0 :              -0.00020279493292
                   +1 :              -0.00127938007512
                4p
                   -1 :              -0.00046825623759
                   +0 :               0.00006324714751
                   +1 :               0.00045452766450
                3d
                   -2 :               0.00038321290935
                   -1 :              -0.00003081196536
                   +0 :              -0.00024990983219
                   +1 :               0.00011421219061
                   +2 :               0.00019095145843
              5 vec=   -10.373550      2.752623     -6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00028462090284
                2p
                   -1 :               0.00005113397172
                   +0 :              -0.00010560651588
                   +1 :              -0.00005294771843
                3s
                   +0 :              -0.00069020355396
                4s
                   +0 :               0.00003416330620
                3p
                   -1 :              -0.00035781307254
                   +0 :               0.00069602891569
                   +1 :              -0.00027905736752
                4p
                   -1 :               0.00005742776638
                   +0 :              -0.00006173685045
                   +1 :               0.00021120893290
                3d
                   -2 :               0.00003062034039
                   -1 :               0.00016167198152
                   +0 :              -0.00029252851235
                   +1 :              -0.00012470904957
                   +2 :               0.00019625382886
              6 vec=    -2.593388    -10.723014     -6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00042933419294
                2p
                   -1 :               0.00017915074485
                   +0 :               0.00013081771345
                   +1 :               0.00007571428349
                3s
                   +0 :               0.00142043523615
                4s
                   +0 :              -0.00045875952935
                3p
                   -1 :              -0.00099445966669
                   +0 :              -0.00057951428676
                   +1 :              -0.00051476993784
                4p
                   -1 :               0.00017845388569
                   +0 :               0.00017467976198
                   +1 :               0.00007119575828
                3d
                   -2 :               0.00007317708838
                   -1 :               0.00018087847240
                   +0 :              -0.00005055961977
                   +1 :               0.00000894953729
                   +2 :              -0.00009502841282
              7 vec=   -10.373550     -6.231135     -6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00013835781448
                2p
                   -1 :              -0.00001491758039
                   +0 :               0.00008719528766
                   +1 :               0.00000147537671
                3s
                   +0 :               0.00026792777256
                4s
                   +0 :              -0.00016860864151
                3p
                   -1 :               0.00019483119776
                   +0 :              -0.00050687582713
                   +1 :               0.00006374717411
                4p
                   -1 :              -0.00006235002621
                   +0 :               0.00010126053469
                   +1 :               0.00005287933954
                3d
                   -2 :              -0.00007871419070
                   -1 :               0.00005168991712
                   +0 :              -0.00002400593014
                   +1 :               0.00005706486064
                   +2 :              -0.00002508815919
              8 vec=     5.186775     11.736381     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00008816670241
                2p
                   -1 :              -0.00000712105154
                   +0 :              -0.00003780465485
                   +1 :              -0.00001929816937
                3s
                   +0 :               0.00029164368916
                4s
                   +0 :              -0.00013017036427
                3p
                   -1 :              -0.00007080989518
                   +0 :               0.00009100648931
                   +1 :               0.00013790170398
                4p
                   -1 :               0.00003056184326
                   +0 :               0.00004051547861
                   +1 :              -0.00001384887300
                3d
                   -2 :               0.00000676919280
                   -1 :               0.00000570034368
                   +0 :               0.00006658048189
                   +1 :               0.00002566956845
                   +2 :               0.00011049963150
              9 vec=    12.966938     -1.739256     -6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00004380228119
                2p
                   -1 :               0.00002678824296
                   +0 :               0.00000290363697
                   +1 :              -0.00003049491552
                3s
                   +0 :               0.00004230788012
                4s
                   +0 :               0.00008415359015
                3p
                   -1 :              -0.00001482587923
                   +0 :               0.00005688694806
                   +1 :               0.00020558894506
                4p
                   -1 :              -0.00002600713815
                   +0 :              -0.00003652767270
                   +1 :              -0.00001638766038
                3d
                   -2 :              -0.00002115989587
                   -1 :              -0.00002059792743
                   +0 :              -0.00000882232369
                   +1 :               0.00000698293914
                   +2 :               0.00001827591106
             10 vec=    12.966938      7.244502     -6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00008804555508
                2p
                   -1 :              -0.00000375765027
                   +0 :              -0.00004454395710
                   +1 :               0.00002003563826
                3s
                   +0 :              -0.00033494289496
                4s
                   +0 :               0.00006848305518
                3p
                   -1 :               0.00008310711219
                   +0 :               0.00022580763545
                   +1 :              -0.00011069357918
                4p
                   -1 :              -0.00005265822425
                   +0 :              -0.00005136120222
                   +1 :               0.00000743968251
                3d
                   -2 :               0.00000060022367
                   -1 :               0.00002433685310
                   +0 :              -0.00003941701704
                   +1 :               0.00003102614807
                   +2 :              -0.00002314738353
             11 vec=   -10.373550     11.736381     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00002068188087
                2p
                   -1 :              -0.00000208454632
                   +0 :               0.00002031191333
                   +1 :               0.00000290986854
                3s
                   +0 :               0.00000301237199
                4s
                   +0 :              -0.00004566620033
                3p
                   -1 :               0.00001819666382
                   +0 :              -0.00012363003503
                   +1 :              -0.00005623752466
                4p
                   -1 :              -0.00001648071635
                   +0 :               0.00003487058144
                   +1 :               0.00004121302363
                3d
                   -2 :               0.00002143815113
                   -1 :              -0.00002304955513
                   +0 :               0.00001679202682
                   +1 :               0.00001717939639
                   +2 :               0.00003132830756
             12 vec=     5.186775    -15.214893     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00001576127236
                2p
                   -1 :               0.00000405330588
                   +0 :              -0.00003725156806
                   +1 :              -0.00002466320435
                3s
                   +0 :              -0.00009555552625
                4s
                   +0 :               0.00001080973430
                3p
                   -1 :              -0.00001023363953
                   +0 :               0.00018713037004
                   +1 :               0.00013398079392
                4p
                   -1 :               0.00001929700764
                   +0 :              -0.00003518162574
                   +1 :              -0.00003504189492
                3d
                   -2 :              -0.00003523145947
                   -1 :              -0.00004052405883
                   +0 :              -0.00003430466105
                   +1 :               0.00001581541432
                   +2 :               0.00000049459781
             13 vec=    -2.593388     16.228260     -6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00001782372978
                2p
                   -1 :               0.00001509157533
                   +0 :               0.00002610752806
                   +1 :               0.00002615514938
                3s
                   +0 :              -0.00014266595666
                4s
                   +0 :               0.00009770403029
                3p
                   -1 :              -0.00013183313973
                   +0 :              -0.00010196130462
                   +1 :              -0.00016189476424
                4p
                   -1 :               0.00006299054814
                   +0 :               0.00000812430661
                   +1 :               0.00005030817531
                3d
                   -2 :              -0.00000971803159
                   -1 :              -0.00003789618983
                   +0 :              -0.00002110864383
                   +1 :              -0.00000374047330
                   +2 :               0.00002519754674
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al(  8)  npairs=  15
              1 vec=    -2.593388     -1.739256     10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00079768879010
                2p
                   -1 :              -0.00034166087934
                   +0 :               0.00037883940903
                   +1 :              -0.00029087829785
                3s
                   +0 :              -0.00056717453045
                4s
                   +0 :               0.00021001456153
                3p
                   -1 :               0.00163403829994
                   +0 :              -0.00052442130823
                   +1 :               0.00251177303115
                4p
                   -1 :              -0.00029173522612
                   +0 :               0.00008809655240
                   +1 :              -0.00050372272616
                3d
                   -2 :              -0.00019977113480
                   -1 :               0.00012812472144
                   +0 :               0.00022684806238
                   +1 :               0.00027355144335
                   +2 :              -0.00013078946218
              2 vec=     5.186775      2.752623     10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00004372979312
                2p
                   -1 :              -0.00001398105296
                   +0 :               0.00005590735924
                   +1 :               0.00005775284018
                3s
                   +0 :               0.00089272453433
                4s
                   +0 :              -0.00019174025732
                3p
                   -1 :               0.00077153329994
                   +0 :              -0.00024427369805
                   +1 :              -0.00030868959520
                4p
                   -1 :               0.00001632897814
                   +0 :              -0.00006626332810
                   +1 :              -0.00000214396648
                3d
                   -2 :              -0.00028676351481
                   -1 :               0.00012442357644
                   +0 :              -0.00034223588666
                   +1 :              -0.00028059204573
                   +2 :              -0.00045883655580
              3 vec=    -2.593388      7.244502     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00025808923048
                2p
                   -1 :               0.00008144493281
                   +0 :              -0.00003260753032
                   +1 :               0.00007263494641
                3s
                   +0 :               0.00230464250063
                4s
                   +0 :              -0.00032117377796
                3p
                   -1 :               0.00083493095401
                   +0 :               0.00121747403285
                   +1 :              -0.00046157954812
                4p
                   -1 :              -0.00000283962752
                   +0 :              -0.00011716062552
                   +1 :               0.00012505787765
                3d
                   -2 :              -0.00002057593941
                   -1 :               0.00027043285303
                   +0 :               0.00015108811998
                   +1 :              -0.00010813846754
                   +2 :              -0.00015357196671
              4 vec=     5.186775     -6.231135     10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00031852664497
                2p
                   -1 :               0.00002744116053
                   +0 :              -0.00002520791775
                   +1 :              -0.00004366593707
                3s
                   +0 :               0.00288396822293
                4s
                   +0 :              -0.00055420344883
                3p
                   -1 :              -0.00096900529328
                   +0 :               0.00125296694276
                   +1 :               0.00134658322696
                4p
                   -1 :               0.00015780348645
                   +0 :              -0.00013890016766
                   +1 :              -0.00005932122659
                3d
                   -2 :              -0.00039852650554
                   -1 :              -0.00018764779524
                   +0 :               0.00022099749811
                   +1 :               0.00044795722711
                   +2 :               0.00017730699196
              5 vec=    -2.593388     -1.739256    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00000711330225
                2p
                   -1 :              -0.00000994306215
                   +0 :              -0.00000516184772
                   +1 :               0.00010844423405
                3s
                   +0 :              -0.00004891401963
                4s
                   +0 :               0.00003929016419
                3p
                   -1 :              -0.00000118680423
                   +0 :              -0.00007335624048
                   +1 :              -0.00055753310262
                4p
                   -1 :              -0.00000793338147
                   +0 :              -0.00000364198989
                   +1 :               0.00010650779938
                3d
                   -2 :              -0.00003334129624
                   -1 :              -0.00003530517408
                   +0 :               0.00002111867216
                   +1 :               0.00010708931600
                   +2 :               0.00007965229632
              6 vec=     5.186775      2.752623    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00017277779067
                2p
                   -1 :               0.00007255768659
                   +0 :              -0.00002468877083
                   +1 :               0.00012525690322
                3s
                   +0 :              -0.00054244046780
                4s
                   +0 :               0.00014742049296
                3p
                   -1 :              -0.00029961754135
                   +0 :               0.00000976754242
                   +1 :              -0.00041285542842
                4p
                   -1 :               0.00007018154256
                   +0 :              -0.00000352825322
                   +1 :               0.00004799227584
                3d
                   -2 :              -0.00012831933935
                   -1 :              -0.00001558181101
                   +0 :               0.00008404163802
                   +1 :               0.00001374828575
                   +2 :              -0.00005875439136
              7 vec=   -10.373550      2.752623     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00003269323285
                2p
                   -1 :              -0.00004744586539
                   +0 :               0.00001496173534
                   +1 :              -0.00000052321354
                3s
                   +0 :               0.00024816136120
                4s
                   +0 :              -0.00007857084470
                3p
                   -1 :               0.00024592441778
                   +0 :              -0.00014920660950
                   +1 :              -0.00001499417281
                4p
                   -1 :              -0.00005627130831
                   +0 :               0.00002323706048
                   +1 :               0.00001134324046
                3d
                   -2 :              -0.00001367713292
                   -1 :               0.00001305180886
                   +0 :               0.00001419880646
                   +1 :               0.00004200750235
                   +2 :              -0.00000425272983
              8 vec=    -2.593388    -10.723014     10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00017774340501
                2p
                   -1 :               0.00004013748596
                   +0 :              -0.00002319526447
                   +1 :               0.00006448850565
                3s
                   +0 :               0.00061184721426
                4s
                   +0 :              -0.00013288140995
                3p
                   -1 :              -0.00016889166057
                   +0 :               0.00006048672280
                   +1 :              -0.00036191855018
                4p
                   -1 :               0.00001050389493
                   +0 :               0.00001393997217
                   +1 :               0.00008469139894
                3d
                   -2 :               0.00004261049812
                   -1 :              -0.00000847313589
                   +0 :              -0.00000677026275
                   +1 :              -0.00000534544203
                   +2 :               0.00006268772254
              9 vec=    -2.593388      7.244502    -13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00006785240944
                2p
                   -1 :               0.00001579313772
                   +0 :              -0.00002056614406
                   +1 :               0.00001713797719
                3s
                   +0 :              -0.00044395305974
                4s
                   +0 :               0.00012883062890
                3p
                   -1 :              -0.00018746910493
                   +0 :               0.00016652988410
                   +1 :               0.00007997910870
                4p
                   -1 :               0.00003086872983
                   +0 :              -0.00007897966339
                   +1 :               0.00000748749237
                3d
                   -2 :               0.00003084853243
                   -1 :               0.00005585743426
                   +0 :               0.00000494554039
                   +1 :              -0.00002027439071
                   +2 :              -0.00006715971995
             10 vec=     5.186775     -6.231135    -13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00006224029330
                2p
                   -1 :               0.00003445813975
                   +0 :               0.00001909237281
                   +1 :               0.00003472111719
                3s
                   +0 :              -0.00019328194793
                4s
                   +0 :               0.00003251147346
                3p
                   -1 :               0.00012833189665
                   +0 :               0.00003551741306
                   +1 :              -0.00014174243978
                4p
                   -1 :               0.00004340478933
                   +0 :              -0.00005127676501
                   +1 :               0.00005274296886
                3d
                   -2 :               0.00006394522937
                   -1 :               0.00002628109751
                   +0 :               0.00000970434247
                   +1 :               0.00004954496922
                   +2 :               0.00008727166973
             11 vec=   -10.373550     -6.231135     10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00020580887588
                2p
                   -1 :              -0.00005667431424
                   +0 :               0.00009550724913
                   +1 :              -0.00007162415326
                3s
                   +0 :              -0.00075013059221
                4s
                   +0 :               0.00033408917388
                3p
                   -1 :               0.00032985356644
                   +0 :              -0.00040885185593
                   +1 :               0.00033594101435
                4p
                   -1 :              -0.00008717595737
                   +0 :               0.00015740303545
                   +1 :              -0.00010281999331
                3d
                   -2 :              -0.00004482927128
                   -1 :               0.00007836441925
                   +0 :              -0.00005991025724
                   +1 :               0.00005314151827
                   +2 :               0.00003242103530
             12 vec=     5.186775     11.736381     10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00007078617120
                2p
                   -1 :               0.00001789309350
                   +0 :               0.00005923312419
                   +1 :               0.00002381751010
                3s
                   +0 :              -0.00031295362942
                4s
                   +0 :               0.00007829581309
                3p
                   -1 :              -0.00017950027775
                   +0 :              -0.00037363413135
                   +1 :              -0.00014038777576
                4p
                   -1 :               0.00003042983650
                   +0 :               0.00008419036227
                   +1 :               0.00001516746912
                3d
                   -2 :              -0.00006223165750
                   -1 :              -0.00007550798553
                   +0 :              -0.00007851902946
                   +1 :              -0.00004866331921
                   +2 :              -0.00000772806660
             13 vec=    12.966938     -1.739256     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00001718723689
                2p
                   -1 :               0.00001324310937
                   +0 :              -0.00002397195995
                   +1 :               0.00002930450062
                3s
                   +0 :               0.00012142658563
                4s
                   +0 :              -0.00001889945766
                3p
                   -1 :              -0.00011005792207
                   +0 :               0.00017401472107
                   +1 :              -0.00020319182707
                4p
                   -1 :               0.00002627006143
                   +0 :              -0.00003036011381
                   +1 :               0.00002799176763
                3d
                   -2 :              -0.00001747602305
                   -1 :              -0.00006181382092
                   +0 :               0.00002384940188
                   +1 :              -0.00005526290205
                   +2 :              -0.00009702645233
             14 vec=   -10.373550      2.752623    -13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00000513165035
                2p
                   -1 :              -0.00002272020072
                   +0 :               0.00001723320215
                   +1 :               0.00002306705758
                3s
                   +0 :              -0.00048103235008
                4s
                   +0 :               0.00000432267287
                3p
                   -1 :              -0.00014687567187
                   +0 :               0.00003332358452
                   +1 :               0.00024604716480
                4p
                   -1 :              -0.00001472091475
                   +0 :               0.00000905869188
                   +1 :               0.00002512330160
                3d
                   -2 :               0.00010634780999
                   -1 :               0.00002108167635
                   +0 :               0.00005794658665
                   +1 :              -0.00004036453975
                   +2 :              -0.00005173755364
             15 vec=    -2.593388    -10.723014    -13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00001177085058
                2p
                   -1 :               0.00001267447006
                   +0 :               0.00000232974303
                   +1 :               0.00001561197735
                3s
                   +0 :              -0.00020314573264
                4s
                   +0 :               0.00002305550553
                3p
                   -1 :               0.00012415463160
                   +0 :               0.00004785291258
                   +1 :              -0.00001679366578
                4p
                   -1 :              -0.00000631345018
                   +0 :              -0.00001319659069
                   +1 :               0.00001937625330
                3d
                   -2 :              -0.00002404791524
                   -1 :              -0.00001738217454
                   +0 :               0.00001265690813
                   +1 :              -0.00000898948491
                   +2 :               0.00001009861539
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al(  9)  npairs=  13
              1 vec=     2.593388     -1.739256      6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00157400906923
                2p
                   -1 :               0.00068575067625
                   +0 :              -0.00127487692322
                   +1 :              -0.00081618818214
                3s
                   +0 :               0.00617639636479
                4s
                   +0 :              -0.00251736336979
                3p
                   -1 :              -0.00096277052450
                   +0 :              -0.00040268440902
                   +1 :               0.00055977877024
                4p
                   -1 :               0.00013282766736
                   +0 :              -0.00166510643579
                   +1 :              -0.00030464589531
                3d
                   -2 :               0.00249602066403
                   -1 :               0.00132356018343
                   +0 :              -0.00258136017903
                   +1 :              -0.00211118817556
                   +2 :              -0.00208783056663
              2 vec=    -5.186775      2.752623      6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00124384023135
                2p
                   -1 :              -0.00021063054664
                   +0 :               0.00012561889730
                   +1 :              -0.00028903804328
                3s
                   +0 :               0.01617056316618
                4s
                   +0 :              -0.00040236407254
                3p
                   -1 :               0.00639430553362
                   +0 :               0.00801848455028
                   +1 :              -0.00713560926710
                4p
                   -1 :              -0.00029292851328
                   +0 :               0.00060034797402
                   +1 :              -0.00077157777934
                3d
                   -2 :              -0.00250079889144
                   -1 :               0.00246927455973
                   +0 :               0.00063645165535
                   +1 :              -0.00358083305570
                   +2 :               0.00106334162171
              3 vec=     2.593388      7.244502      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00065173708869
                2p
                   -1 :              -0.00056280326107
                   +0 :               0.00038568962201
                   +1 :               0.00056165314522
                3s
                   +0 :               0.00043295687644
                4s
                   +0 :              -0.00108342592548
                3p
                   -1 :               0.00411186531443
                   +0 :              -0.00102412062299
                   +1 :              -0.00185430935083
                4p
                   -1 :              -0.00153166018492
                   +0 :              -0.00025078706924
                   +1 :               0.00023341635393
                3d
                   -2 :               0.00045036026398
                   -1 :               0.00027827516633
                   +0 :               0.00037946411623
                   +1 :              -0.00020227134245
                   +2 :              -0.00120192241358
              4 vec=    -5.186775     -6.231135      6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00049126251361
                2p
                   -1 :               0.00013044481211
                   +0 :               0.00000721096576
                   +1 :               0.00018547191343
                3s
                   +0 :               0.00251582589315
                4s
                   +0 :              -0.00090308403535
                3p
                   -1 :              -0.00149021622386
                   +0 :              -0.00031099844404
                   +1 :              -0.00135212025895
                4p
                   -1 :               0.00046185445776
                   +0 :               0.00012771801890
                   +1 :               0.00050210212773
                3d
                   -2 :               0.00040499872159
                   -1 :              -0.00000172730835
                   +0 :               0.00022589758371
                   +1 :              -0.00014020905237
                   +2 :              -0.00025878432286
              5 vec=    10.373550      2.752623      6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00029664193857
                2p
                   -1 :              -0.00007067337489
                   +0 :              -0.00010076678753
                   +1 :              -0.00004301602117
                3s
                   +0 :               0.00060215096563
                4s
                   +0 :              -0.00004266967359
                3p
                   -1 :               0.00039347570432
                   +0 :               0.00070813516782
                   +1 :              -0.00035043336743
                4p
                   -1 :              -0.00011091971555
                   +0 :              -0.00005726016074
                   +1 :               0.00022392512930
                3d
                   -2 :              -0.00001023116888
                   -1 :               0.00017574205851
                   +0 :               0.00027507367051
                   +1 :               0.00012409317402
                   +2 :              -0.00015084717962
              6 vec=     2.593388    -10.723014      6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00040353458541
                2p
                   -1 :              -0.00020315208124
                   +0 :               0.00015834755806
                   +1 :               0.00007041649534
                3s
                   +0 :              -0.00126057437879
                4s
                   +0 :               0.00039529613720
                3p
                   -1 :               0.00108826130924
                   +0 :              -0.00075989275057
                   +1 :              -0.00044196416443
                4p
                   -1 :              -0.00018474209139
                   +0 :               0.00023707183346
                   +1 :               0.00004787419068
                3d
                   -2 :               0.00012188671112
                   -1 :               0.00017062512097
                   +0 :               0.00004684032932
                   +1 :              -0.00003563418161
                   +2 :               0.00011940201448
              7 vec=    10.373550     -6.231135      6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00012498508368
                2p
                   -1 :               0.00000038428534
                   +0 :               0.00008372659016
                   +1 :               0.00000229213645
                3s
                   +0 :              -0.00006230786997
                4s
                   +0 :               0.00016561868596
                3p
                   -1 :              -0.00006517312450
                   +0 :              -0.00053989031921
                   +1 :               0.00019140867578
                4p
                   -1 :               0.00003667977327
                   +0 :               0.00009813611716
                   +1 :               0.00003138509777
                3d
                   -2 :              -0.00005045774308
                   -1 :               0.00002168772755
                   +0 :               0.00002132428732
                   +1 :              -0.00008396202856
                   +2 :               0.00007969716081
              8 vec=    -5.186775     11.736381      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00007687541341
                2p
                   -1 :               0.00000267029003
                   +0 :              -0.00003266515689
                   +1 :              -0.00001451493743
                3s
                   +0 :              -0.00026694808307
                4s
                   +0 :               0.00015693541525
                3p
                   -1 :               0.00008591392789
                   +0 :               0.00006403599311
                   +1 :               0.00013351567166
                4p
                   -1 :              -0.00002701718294
                   +0 :               0.00003207624599
                   +1 :              -0.00002930154405
                3d
                   -2 :               0.00001629318175
                   -1 :              -0.00001044886475
                   +0 :              -0.00005784301569
                   +1 :              -0.00001299598731
                   +2 :              -0.00010620293120
              9 vec=   -12.966938     -1.739256      6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00001113970512
                2p
                   -1 :               0.00000230569541
                   +0 :              -0.00000056285769
                   +1 :              -0.00004202973602
                3s
                   +0 :               0.00013798785962
                4s
                   +0 :              -0.00008366479716
                3p
                   -1 :              -0.00020043192549
                   +0 :               0.00002996379729
                   +1 :               0.00025796563349
                4p
                   -1 :               0.00006491073998
                   +0 :              -0.00004819017633
                   +1 :              -0.00003694751675
                3d
                   -2 :               0.00001722181129
                   -1 :               0.00001823282128
                   +0 :               0.00000587720821
                   +1 :              -0.00002448698813
                   +2 :              -0.00005812890656
             10 vec=   -12.966938      7.244502      6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00008334251331
                2p
                   -1 :              -0.00001168457383
                   +0 :              -0.00004139742636
                   +1 :               0.00001115893493
                3s
                   +0 :               0.00033006677127
                4s
                   +0 :              -0.00005461296372
                3p
                   -1 :              -0.00002122506831
                   +0 :               0.00021234075176
                   +1 :              -0.00005975952234
                4p
                   -1 :               0.00004449559764
                   +0 :              -0.00005034552926
                   +1 :              -0.00001109374385
                3d
                   -2 :              -0.00000348449798
                   -1 :               0.00001737899098
                   +0 :               0.00004324228987
                   +1 :              -0.00003088144279
                   +2 :               0.00002087643717
             11 vec=    10.373550     11.736381      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00001031488418
                2p
                   -1 :               0.00000946327247
                   +0 :               0.00001431524161
                   +1 :               0.00000421789483
                3s
                   +0 :              -0.00002246772580
                4s
                   +0 :               0.00004568136845
                3p
                   -1 :              -0.00004326006095
                   +0 :              -0.00010811780165
                   +1 :              -0.00006452659975
                4p
                   -1 :               0.00001603877077
                   +0 :               0.00003401336109
                   +1 :               0.00003171344405
                3d
                   -2 :               0.00000773826738
                   -1 :              -0.00000752788861
                   +0 :              -0.00002081816281
                   +1 :              -0.00001811426844
                   +2 :              -0.00002609384026
             12 vec=    -5.186775    -15.214893      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00001218063777
                2p
                   -1 :              -0.00000115778956
                   +0 :              -0.00003676889316
                   +1 :              -0.00001679294078
                3s
                   +0 :               0.00009161108554
                4s
                   +0 :              -0.00000000236704
                3p
                   -1 :               0.00000115688206
                   +0 :               0.00018165092655
                   +1 :               0.00010058600417
                4p
                   -1 :              -0.00002202144542
                   +0 :              -0.00003343153335
                   +1 :              -0.00003032289369
                3d
                   -2 :              -0.00003551834675
                   -1 :              -0.00003484144258
                   +0 :               0.00004053104561
                   +1 :              -0.00001061038410
                   +2 :              -0.00000780933387
             13 vec=     2.593388     16.228260      6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00002685789588
                2p
                   -1 :              -0.00002286079486
                   +0 :               0.00002029449229
                   +1 :               0.00002142096694
                3s
                   +0 :               0.00017249577330
                4s
                   +0 :              -0.00009839156737
                3p
                   -1 :               0.00016997265398
                   +0 :              -0.00007416640626
                   +1 :              -0.00013603153246
                4p
                   -1 :              -0.00006834205394
                   +0 :              -0.00000097731342
                   +1 :               0.00003802170688
                3d
                   -2 :              -0.00000893139366
                   -1 :              -0.00002800923977
                   +0 :               0.00001175340276
                   +1 :              -0.00000584610057
                   +2 :              -0.00003320427435
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al( 10)  npairs=  15
              1 vec=     2.593388     -1.739256    -10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00082096826726
                2p
                   -1 :               0.00028108675359
                   +0 :               0.00043582509320
                   +1 :              -0.00034265227490
                3s
                   +0 :               0.00094840717730
                4s
                   +0 :              -0.00031532352467
                3p
                   -1 :              -0.00115844982775
                   +0 :              -0.00072448894261
                   +1 :               0.00264594185002
                4p
                   -1 :               0.00015149748689
                   +0 :               0.00017264857474
                   +1 :              -0.00056412262333
                3d
                   -2 :              -0.00015449635931
                   -1 :               0.00014460859291
                   +0 :              -0.00016755980985
                   +1 :              -0.00031046676263
                   +2 :               0.00013594969905
              2 vec=    -5.186775      2.752623    -10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00004395275519
                2p
                   -1 :               0.00004701174983
                   +0 :               0.00008939141942
                   +1 :               0.00007874357564
                3s
                   +0 :              -0.00052935953391
                4s
                   +0 :               0.00013847286210
                3p
                   -1 :              -0.00080915128799
                   +0 :              -0.00040326787395
                   +1 :              -0.00036876475607
                4p
                   -1 :              -0.00001002514975
                   +0 :              -0.00000512454175
                   +1 :               0.00003392566154
                3d
                   -2 :              -0.00026214098816
                   -1 :               0.00008829340197
                   +0 :               0.00040891103872
                   +1 :               0.00032914392541
                   +2 :               0.00044406173605
              3 vec=     2.593388      7.244502    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00027676846736
                2p
                   -1 :              -0.00011096718242
                   +0 :              -0.00002667200685
                   +1 :               0.00010361232421
                3s
                   +0 :              -0.00233775417479
                4s
                   +0 :               0.00032303470546
                3p
                   -1 :              -0.00066486075953
                   +0 :               0.00121567790974
                   +1 :              -0.00070755831718
                4p
                   -1 :              -0.00005826613393
                   +0 :              -0.00009087727565
                   +1 :               0.00021196448397
                3d
                   -2 :              -0.00002083375985
                   -1 :               0.00029939330786
                   +0 :              -0.00019217026669
                   +1 :               0.00015257367288
                   +2 :               0.00017615581877
              4 vec=    -5.186775     -6.231135    -10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00023825478603
                2p
                   -1 :              -0.00001361814854
                   +0 :               0.00000779912568
                   +1 :              -0.00002636795269
                3s
                   +0 :              -0.00260765230580
                4s
                   +0 :               0.00047145426757
                3p
                   -1 :               0.00086839707054
                   +0 :               0.00113153113186
                   +1 :               0.00136887427184
                4p
                   -1 :              -0.00015480680702
                   +0 :              -0.00009835755645
                   +1 :              -0.00007804703368
                3d
                   -2 :              -0.00036069022848
                   -1 :              -0.00018531081143
                   +0 :              -0.00025459386463
                   +1 :              -0.00046413288039
                   +2 :              -0.00017943904367
              5 vec=     2.593388     -1.739256     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00001586110934
                2p
                   -1 :              -0.00000127685943
                   +0 :               0.00000523428204
                   +1 :               0.00007045237469
                3s
                   +0 :               0.00033715319640
                4s
                   +0 :              -0.00005944584227
                3p
                   -1 :               0.00013373461897
                   +0 :              -0.00002828495151
                   +1 :              -0.00039118276006
                4p
                   -1 :              -0.00002144960294
                   +0 :               0.00000886795983
                   +1 :               0.00002992814003
                3d
                   -2 :              -0.00006000361175
                   -1 :              -0.00003149822992
                   +0 :              -0.00004194211715
                   +1 :              -0.00010848928788
                   +2 :              -0.00009719960358
              6 vec=    -5.186775      2.752623     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00017405059456
                2p
                   -1 :              -0.00001981686145
                   +0 :              -0.00002020808733
                   +1 :               0.00011523861382
                3s
                   +0 :               0.00061641173376
                4s
                   +0 :              -0.00011278681895
                3p
                   -1 :               0.00006876727250
                   +0 :               0.00003398818656
                   +1 :              -0.00031551425996
                4p
                   -1 :              -0.00000748603399
                   +0 :              -0.00001628302589
                   +1 :               0.00005040380965
                3d
                   -2 :              -0.00006385119513
                   -1 :              -0.00001460089133
                   +0 :              -0.00008955237680
                   +1 :              -0.00004448303237
                   +2 :               0.00009009392511
              7 vec=    10.373550      2.752623    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00003140393314
                2p
                   -1 :               0.00003115361356
                   +0 :               0.00001866070966
                   +1 :              -0.00001804769099
                3s
                   +0 :              -0.00011687745291
                4s
                   +0 :              -0.00000568990299
                3p
                   -1 :              -0.00008161950990
                   +0 :              -0.00018744578565
                   +1 :               0.00011955659651
                4p
                   -1 :              -0.00000821785685
                   +0 :               0.00004197311621
                   +1 :              -0.00004539513209
                3d
                   -2 :               0.00002068100194
                   -1 :              -0.00001261254549
                   +0 :              -0.00003481708755
                   +1 :              -0.00005138101348
                   +2 :               0.00002164228496
              8 vec=     2.593388    -10.723014    -10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00008646664285
                2p
                   -1 :              -0.00000717898122
                   +0 :               0.00000085919691
                   +1 :               0.00003579189697
                3s
                   +0 :              -0.00023057177659
                4s
                   +0 :              -0.00002638136946
                3p
                   -1 :              -0.00000469339069
                   +0 :              -0.00008878207914
                   +1 :              -0.00019345134662
                4p
                   -1 :               0.00004014786374
                   +0 :               0.00007027209944
                   +1 :               0.00004246103012
                3d
                   -2 :               0.00002267716043
                   -1 :               0.00000209704482
                   +0 :               0.00000747305165
                   +1 :               0.00000688418901
                   +2 :              -0.00005092961492
              9 vec=     2.593388      7.244502     13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00003772378495
                2p
                   -1 :              -0.00002152868869
                   +0 :              -0.00001046302431
                   +1 :               0.00005138647347
                3s
                   +0 :               0.00033334060207
                4s
                   +0 :              -0.00011479357763
                3p
                   -1 :               0.00024105596754
                   +0 :               0.00021485688020
                   +1 :              -0.00018088589483
                4p
                   -1 :              -0.00007144227675
                   +0 :              -0.00009682287602
                   +1 :               0.00003643399332
                3d
                   -2 :               0.00003590950371
                   -1 :               0.00005746094069
                   +0 :               0.00002670880633
                   +1 :              -0.00000614805080
                   +2 :              -0.00001877557430
             10 vec=    -5.186775     -6.231135     13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00005646308001
                2p
                   -1 :              -0.00000980281589
                   +0 :               0.00002041030002
                   +1 :               0.00000159561841
                3s
                   +0 :               0.00019755248331
                4s
                   +0 :              -0.00003903263016
                3p
                   -1 :              -0.00020613287109
                   +0 :               0.00003863647516
                   +1 :              -0.00005485524124
                4p
                   -1 :              -0.00002107864290
                   +0 :              -0.00005323225435
                   +1 :               0.00003028441545
                3d
                   -2 :               0.00007360671762
                   -1 :              -0.00001932172556
                   +0 :              -0.00000838055187
                   +1 :              -0.00001657944132
                   +2 :              -0.00008391653774
             11 vec=    10.373550     -6.231135    -10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00022035848598
                2p
                   -1 :               0.00005138875880
                   +0 :               0.00007821289858
                   +1 :              -0.00007666169869
                3s
                   +0 :               0.00072728091769
                4s
                   +0 :              -0.00033058521264
                3p
                   -1 :              -0.00020838327984
                   +0 :              -0.00035471042411
                   +1 :               0.00037481466659
                4p
                   -1 :               0.00004827087839
                   +0 :               0.00014061164529
                   +1 :              -0.00010635693999
                3d
                   -2 :              -0.00004801882732
                   -1 :               0.00003777533913
                   +0 :               0.00002598575249
                   +1 :              -0.00004369290150
                   +2 :               0.00000671182684
             12 vec=    -5.186775     11.736381    -10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00007548189631
                2p
                   -1 :              -0.00002806867745
                   +0 :               0.00004202258532
                   +1 :               0.00002330005970
                3s
                   +0 :               0.00034805561276
                4s
                   +0 :              -0.00011021196086
                3p
                   -1 :               0.00026331598572
                   +0 :              -0.00029622941754
                   +1 :              -0.00013955647447
                4p
                   -1 :              -0.00005999194208
                   +0 :               0.00006715366973
                   +1 :               0.00001527676524
                3d
                   -2 :              -0.00006156559474
                   -1 :              -0.00007673650532
                   +0 :               0.00005140082596
                   +1 :               0.00004164520313
                   +2 :               0.00000948398810
             13 vec=   -12.966938     -1.739256    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00003524795431
                2p
                   -1 :               0.00000002551811
                   +0 :              -0.00000905863666
                   +1 :               0.00000748424322
                3s
                   +0 :              -0.00012304890387
                4s
                   +0 :               0.00000525444920
                3p
                   -1 :              -0.00001420387160
                   +0 :               0.00004543835220
                   +1 :              -0.00011773216124
                4p
                   -1 :              -0.00000031925776
                   +0 :               0.00000038249451
                   +1 :               0.00004614856306
                3d
                   -2 :               0.00001714975132
                   -1 :              -0.00002437704107
                   +0 :              -0.00001752085989
                   +1 :               0.00000688967382
                   +2 :               0.00003486735419
             14 vec=    10.373550      2.752623     13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00002219334669
                2p
                   -1 :               0.00001537601083
                   +0 :               0.00001646825441
                   +1 :               0.00002302143270
                3s
                   +0 :               0.00041070656318
                4s
                   +0 :               0.00001029662640
                3p
                   -1 :               0.00011086153852
                   +0 :               0.00003780314289
                   +1 :               0.00023931053182
                4p
                   -1 :               0.00000196601556
                   +0 :              -0.00000095456897
                   +1 :               0.00002228937204
                3d
                   -2 :               0.00005940482459
                   -1 :              -0.00000599820766
                   +0 :              -0.00005958163230
                   +1 :               0.00001827889150
                   +2 :               0.00005907992857
             15 vec=     2.593388    -10.723014     13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00004324992776
                2p
                   -1 :              -0.00003378891903
                   +0 :               0.00000101769353
                   +1 :              -0.00000049935132
                3s
                   +0 :               0.00007593514061
                4s
                   +0 :               0.00000535206112
                3p
                   -1 :              -0.00000483737486
                   +0 :               0.00008815660236
                   +1 :               0.00008549882660
                4p
                   -1 :              -0.00001540197635
                   +0 :              -0.00003099514401
                   +1 :               0.00000152227043
                3d
                   -2 :              -0.00004654794319
                   -1 :              -0.00000201295987
                   +0 :              -0.00000343245179
                   +1 :               0.00002897799167
                   +2 :               0.00001660292308
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al( 11)  npairs=  14
              1 vec=     2.593388     -1.739256      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.02250422776301
                2p
                   -1 :              -0.01143784085256
                   +0 :               0.00427617237142
                   +1 :               0.01905669510441
                3s
                   +0 :               0.03245098460908
                4s
                   +0 :               0.00943134816304
                3p
                   -1 :              -0.03512690479014
                   +0 :              -0.01439987448551
                   +1 :               0.04644164763581
                4p
                   -1 :              -0.00323966517085
                   +0 :               0.00312280192245
                   +1 :               0.00912044335676
                3d
                   -2 :              -0.03419381097674
                   -1 :              -0.00001968609693
                   +0 :              -0.03073590654498
                   +1 :               0.00165973341727
                   +2 :               0.01542256165536
              2 vec=    -5.186775      2.752623      1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00177398323786
                2p
                   -1 :              -0.00065813134201
                   +0 :               0.00037134734386
                   +1 :               0.00129579894036
                3s
                   +0 :               0.00373047903841
                4s
                   +0 :              -0.00361254568621
                3p
                   -1 :               0.00509534103843
                   +0 :               0.00135272015373
                   +1 :              -0.00366244202428
                4p
                   -1 :              -0.00146613012044
                   +0 :               0.00052535922516
                   +1 :               0.00151991368097
                3d
                   -2 :              -0.00265139259577
                   -1 :               0.00077154772121
                   +0 :               0.00016649365855
                   +1 :              -0.00150698452689
                   +2 :               0.00047094655746
              3 vec=     2.593388      7.244502      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00017666765571
                2p
                   -1 :               0.00029559129581
                   +0 :              -0.00021270087368
                   +1 :              -0.00071478007974
                3s
                   +0 :              -0.00584350092368
                4s
                   +0 :               0.00092408668236
                3p
                   -1 :              -0.00762228140352
                   +0 :               0.00144953508107
                   +1 :               0.00290081459610
                4p
                   -1 :               0.00081365019082
                   +0 :              -0.00105642949668
                   +1 :              -0.00083065956734
                3d
                   -2 :               0.00091620390450
                   -1 :              -0.00076491046595
                   +0 :               0.00115560316466
                   +1 :               0.00029452356000
                   +2 :               0.00195092305728
              4 vec=    -5.186775     -6.231135      1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00049745341821
                2p
                   -1 :               0.00096287807861
                   +0 :               0.00021482635614
                   +1 :               0.00010899689928
                3s
                   +0 :               0.00212176866845
                4s
                   +0 :              -0.00080931080103
                3p
                   -1 :              -0.00438673367633
                   +0 :              -0.00096956742708
                   +1 :               0.00015547043309
                4p
                   -1 :               0.00141554100405
                   +0 :               0.00024829415798
                   +1 :              -0.00004425760959
                3d
                   -2 :               0.00044829662011
                   -1 :              -0.00056031556722
                   +0 :               0.00003048149801
                   +1 :               0.00058268458646
                   +2 :              -0.00070494786505
              5 vec=    10.373550      2.752623      1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00011884869420
                2p
                   -1 :              -0.00004987864278
                   +0 :               0.00009172121966
                   +1 :               0.00000669159015
                3s
                   +0 :               0.00051933265982
                4s
                   +0 :              -0.00008265957559
                3p
                   -1 :               0.00080932922685
                   +0 :              -0.00128100403167
                   +1 :               0.00076825282738
                4p
                   -1 :              -0.00018883049366
                   +0 :               0.00016881691688
                   +1 :              -0.00028305718454
                3d
                   -2 :               0.00015423158582
                   -1 :               0.00001122473790
                   +0 :               0.00017401421181
                   +1 :              -0.00032652383364
                   +2 :               0.00001999736504
              6 vec=     2.593388    -10.723014      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00000380581700
                2p
                   -1 :               0.00003326849055
                   +0 :               0.00000251335745
                   +1 :               0.00004612969755
                3s
                   +0 :               0.00113320613446
                4s
                   +0 :              -0.00035416086939
                3p
                   -1 :              -0.00088341512232
                   +0 :              -0.00062275903415
                   +1 :              -0.00015236498698
                4p
                   -1 :               0.00026685039103
                   +0 :               0.00008983393138
                   +1 :              -0.00000962870424
                3d
                   -2 :               0.00023235732970
                   -1 :               0.00024649027563
                   +0 :               0.00027057127046
                   +1 :               0.00012753817205
                   +2 :              -0.00012377872392
              7 vec=    10.373550     -6.231135      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00017265716033
                2p
                   -1 :               0.00011940877785
                   +0 :              -0.00022484858677
                   +1 :              -0.00003189861664
                3s
                   +0 :               0.00044562583276
                4s
                   +0 :               0.00003914799587
                3p
                   -1 :              -0.00058353262023
                   +0 :               0.00103737701281
                   +1 :               0.00010365320357
                4p
                   -1 :               0.00004792496792
                   +0 :              -0.00025231749339
                   +1 :               0.00004788440392
                3d
                   -2 :              -0.00009593804462
                   -1 :              -0.00010703187902
                   +0 :               0.00006399419805
                   +1 :               0.00006333140609
                   +2 :              -0.00004895044152
              8 vec=    -5.186775     11.736381      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00004789090653
                2p
                   -1 :               0.00014161847916
                   +0 :               0.00020972766495
                   +1 :               0.00014508020365
                3s
                   +0 :               0.00040185738098
                4s
                   +0 :              -0.00025625927303
                3p
                   -1 :              -0.00059723904327
                   +0 :              -0.00090433970270
                   +1 :              -0.00074766250268
                4p
                   -1 :               0.00007905755127
                   +0 :               0.00021781256629
                   +1 :               0.00023187691898
                3d
                   -2 :               0.00007473266422
                   -1 :              -0.00016439751222
                   +0 :               0.00010329211763
                   +1 :               0.00010973924860
                   +2 :               0.00029339021333
              9 vec=   -12.966938     -1.739256      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00021125776895
                2p
                   -1 :              -0.00010370150479
                   +0 :               0.00001006448857
                   +1 :              -0.00011381935859
                3s
                   +0 :              -0.00048299915132
                4s
                   +0 :               0.00024125896632
                3p
                   -1 :               0.00041898931417
                   +0 :               0.00026029325587
                   +1 :               0.00044803488614
                4p
                   -1 :              -0.00013853301336
                   +0 :              -0.00004894475736
                   +1 :              -0.00010523134835
                3d
                   -2 :              -0.00007526716968
                   -1 :              -0.00002316695032
                   +0 :               0.00009148807015
                   +1 :               0.00004025200041
                   +2 :              -0.00002717184837
             10 vec=   -12.966938      7.244502      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00004518302943
                2p
                   -1 :              -0.00000835346156
                   +0 :               0.00001913151493
                   +1 :              -0.00000925655697
                3s
                   +0 :              -0.00017425116729
                4s
                   +0 :               0.00007773331106
                3p
                   -1 :               0.00003485969559
                   +0 :               0.00002199032445
                   +1 :               0.00016720040283
                4p
                   -1 :              -0.00001692145622
                   +0 :              -0.00001311600668
                   +1 :              -0.00006906118561
                3d
                   -2 :              -0.00002310195983
                   -1 :               0.00002830113407
                   +0 :               0.00005884508792
                   +1 :              -0.00005023342064
                   +2 :              -0.00005113780070
             11 vec=    10.373550     11.736381      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00001253975221
                2p
                   -1 :              -0.00002160296323
                   +0 :              -0.00001007850897
                   +1 :               0.00002653351212
                3s
                   +0 :               0.00005718531290
                4s
                   +0 :              -0.00003540029072
                3p
                   -1 :               0.00012172613421
                   +0 :              -0.00005813856259
                   +1 :              -0.00014339900633
                4p
                   -1 :              -0.00005594541054
                   +0 :               0.00004799343335
                   +1 :               0.00004857200894
                3d
                   -2 :              -0.00005506834583
                   -1 :              -0.00001653894478
                   +0 :               0.00000190993898
                   +1 :               0.00000204638035
                   +2 :               0.00001090965570
             12 vec=    -5.186775    -15.214893      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00001112388153
                2p
                   -1 :              -0.00000118254098
                   +0 :               0.00001287338550
                   +1 :              -0.00000676869615
                3s
                   +0 :               0.00008957716421
                4s
                   +0 :              -0.00002505199133
                3p
                   -1 :              -0.00003830347826
                   +0 :              -0.00009082552605
                   +1 :               0.00006408054349
                4p
                   -1 :               0.00001004981343
                   +0 :               0.00000409891205
                   +1 :              -0.00001320592457
                3d
                   -2 :              -0.00000066556294
                   -1 :               0.00001765445731
                   +0 :               0.00003792089578
                   +1 :               0.00000574244608
                   +2 :              -0.00001927984428
             13 vec=     2.593388     16.228260      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00002012687747
                2p
                   -1 :               0.00002395011797
                   +0 :               0.00000314974817
                   +1 :              -0.00000863993371
                3s
                   +0 :              -0.00017688342545
                4s
                   +0 :               0.00011649099089
                3p
                   -1 :              -0.00022148494962
                   +0 :              -0.00001129069119
                   +1 :              -0.00001074026838
                4p
                   -1 :               0.00009143178310
                   +0 :               0.00000001705004
                   +1 :               0.00002831974184
                3d
                   -2 :              -0.00000298655186
                   -1 :              -0.00000443016729
                   +0 :              -0.00002257776572
                   +1 :              -0.00001484130870
                   +2 :               0.00003517374312
             14 vec=   -12.966938    -10.723014      1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00002340133476
                2p
                   -1 :              -0.00002662897581
                   +0 :               0.00001208370907
                   +1 :              -0.00000985290874
                3s
                   +0 :               0.00014051455305
                4s
                   +0 :              -0.00005145435565
                3p
                   -1 :               0.00012574443889
                   +0 :              -0.00004634610428
                   +1 :               0.00001193535499
                4p
                   -1 :              -0.00003166827175
                   +0 :               0.00000535221032
                   +1 :               0.00000918844495
                3d
                   -2 :              -0.00003856993866
                   -1 :               0.00002206912575
                   +0 :               0.00001958287148
                   +1 :              -0.00001340995514
                   +2 :              -0.00000713902402
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site Al( 12)  npairs=  14
              1 vec=     2.593388     -1.739256     -5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00463998842220
                2p
                   -1 :              -0.00147249963113
                   +0 :              -0.00285550745063
                   +1 :               0.00175131320242
                3s
                   +0 :              -0.01173231381306
                4s
                   +0 :               0.00752865184744
                3p
                   -1 :               0.00447069184183
                   +0 :               0.01203125696364
                   +1 :              -0.00638917249969
                4p
                   -1 :              -0.00211561869239
                   +0 :              -0.00557063035074
                   +1 :               0.00331564849996
                3d
                   -2 :              -0.00147790057003
                   -1 :              -0.00043228752744
                   +0 :              -0.00206249700026
                   +1 :               0.00082515653379
                   +2 :               0.00021107873962
              2 vec=    -5.186775      2.752623     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00134290995192
                2p
                   -1 :              -0.00044312124807
                   +0 :               0.00048628182240
                   +1 :               0.00117826981245
                3s
                   +0 :              -0.00983434963633
                4s
                   +0 :              -0.00150293539146
                3p
                   -1 :              -0.00739728511869
                   +0 :               0.00034339997430
                   +1 :               0.00357844436702
                4p
                   -1 :               0.00020245232732
                   +0 :               0.00039813053799
                   +1 :               0.00188264457180
                3d
                   -2 :               0.00354825198853
                   -1 :               0.00064278370451
                   +0 :               0.00213286125583
                   +1 :              -0.00024350557625
                   +2 :              -0.00030739868208
              3 vec=     2.593388      7.244502     -5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00045702144625
                2p
                   -1 :               0.00083840146009
                   +0 :               0.00011288138716
                   +1 :              -0.00067136419345
                3s
                   +0 :               0.00075709932461
                4s
                   +0 :              -0.00017068992090
                3p
                   -1 :              -0.00364358444647
                   +0 :              -0.00062997348633
                   +1 :               0.00325352118182
                4p
                   -1 :               0.00081038558969
                   +0 :               0.00025649612595
                   +1 :              -0.00067477861813
                3d
                   -2 :              -0.00068729097973
                   -1 :               0.00089032749499
                   +0 :              -0.00018707296039
                   +1 :              -0.00029605174689
                   +2 :               0.00079352885709
              4 vec=    -5.186775     -6.231135     -5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00004839948428
                2p
                   -1 :               0.00026955173293
                   +0 :              -0.00036618012671
                   +1 :               0.00017209018849
                3s
                   +0 :              -0.00001685294636
                4s
                   +0 :              -0.00017204715118
                3p
                   -1 :              -0.00134883092825
                   +0 :               0.00231028053973
                   +1 :              -0.00071108126578
                4p
                   -1 :               0.00053259733852
                   +0 :              -0.00063281862705
                   +1 :               0.00050358509601
                3d
                   -2 :              -0.00013499305194
                   -1 :              -0.00031667944645
                   +0 :              -0.00021995519571
                   +1 :              -0.00027146760178
                   +2 :              -0.00042083173918
              5 vec=    10.373550      2.752623     -5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00038298481547
                2p
                   -1 :              -0.00020529156283
                   +0 :               0.00015293160268
                   +1 :              -0.00016699564235
                3s
                   +0 :               0.00067236180053
                4s
                   +0 :              -0.00039328946993
                3p
                   -1 :               0.00056628090024
                   +0 :               0.00002964049782
                   +1 :               0.00085653798407
                4p
                   -1 :              -0.00023596149666
                   +0 :               0.00011684755319
                   +1 :              -0.00023242341222
                3d
                   -2 :               0.00003366068469
                   -1 :               0.00005690315460
                   +0 :              -0.00025359717396
                   +1 :               0.00001013543496
                   +2 :               0.00013288756510
              6 vec=     2.593388    -10.723014     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00049317642476
                2p
                   -1 :               0.00029698650661
                   +0 :               0.00018661965628
                   +1 :               0.00001275157796
                3s
                   +0 :               0.00131970151499
                4s
                   +0 :              -0.00026125405767
                3p
                   -1 :              -0.00136847206804
                   +0 :              -0.00068805255305
                   +1 :               0.00005476205158
                4p
                   -1 :               0.00018102603022
                   +0 :               0.00013707644835
                   +1 :               0.00010604254440
                3d
                   -2 :              -0.00011064987451
                   -1 :               0.00043206638382
                   +0 :              -0.00011090498893
                   +1 :              -0.00008870929326
                   +2 :              -0.00038193154355
              7 vec=    10.373550     -6.231135     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00017705552842
                2p
                   -1 :               0.00001622271916
                   +0 :              -0.00002285398848
                   +1 :               0.00014454049072
                3s
                   +0 :              -0.00093303600367
                4s
                   +0 :               0.00022802960623
                3p
                   -1 :               0.00000638858772
                   +0 :              -0.00002338120763
                   +1 :              -0.00084486911425
                4p
                   -1 :              -0.00000833228651
                   +0 :               0.00006866001506
                   +1 :               0.00019058678878
                3d
                   -2 :              -0.00003986479698
                   -1 :               0.00002298434462
                   +0 :              -0.00002940904131
                   +1 :               0.00005423168977
                   +2 :              -0.00019911666865
              8 vec=    -5.186775     11.736381     -5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00042334631950
                2p
                   -1 :              -0.00012627104254
                   +0 :               0.00005200336372
                   +1 :               0.00028250840067
                3s
                   +0 :               0.00105644827857
                4s
                   +0 :              -0.00022386858929
                3p
                   -1 :               0.00031484713157
                   +0 :              -0.00022393472190
                   +1 :              -0.00117508417747
                4p
                   -1 :               0.00003654731327
                   +0 :               0.00005501513699
                   +1 :               0.00019944130039
                3d
                   -2 :              -0.00023611251751
                   -1 :              -0.00008644971012
                   +0 :              -0.00009852386928
                   +1 :               0.00015769276610
                   +2 :               0.00008673445456
              9 vec=   -12.966938     -1.739256     -5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00000784488002
                2p
                   -1 :              -0.00005612884822
                   +0 :               0.00001545459199
                   +1 :              -0.00003898350477
                3s
                   +0 :               0.00005181138790
                4s
                   +0 :              -0.00009159844711
                3p
                   -1 :               0.00033363005450
                   +0 :              -0.00022476493121
                   +1 :               0.00011993473591
                4p
                   -1 :              -0.00004084784208
                   +0 :               0.00007451730072
                   +1 :               0.00002235592549
                3d
                   -2 :              -0.00005594106270
                   -1 :              -0.00005457090530
                   +0 :              -0.00001668205470
                   +1 :              -0.00001623523903
                   +2 :              -0.00012248290423
             10 vec=   -12.966938      7.244502     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00007872503338
                2p
                   -1 :              -0.00000069565095
                   +0 :              -0.00000155017857
                   +1 :               0.00001780748579
                3s
                   +0 :               0.00019918032157
                4s
                   +0 :              -0.00005384742761
                3p
                   -1 :               0.00005287083674
                   +0 :               0.00000714165063
                   +1 :              -0.00002607960957
                4p
                   -1 :              -0.00001444266253
                   +0 :              -0.00002009118722
                   +1 :              -0.00000466755502
                3d
                   -2 :              -0.00001842509568
                   -1 :              -0.00002927757112
                   +0 :               0.00002373666257
                   +1 :               0.00001772929680
                   +2 :              -0.00000840024233
             11 vec=    10.373550     11.736381     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00004960099143
                2p
                   -1 :              -0.00002278431782
                   +0 :              -0.00000022251026
                   +1 :               0.00001078089041
                3s
                   +0 :              -0.00026673822715
                4s
                   +0 :               0.00003828875775
                3p
                   -1 :               0.00013385073324
                   +0 :               0.00008704471660
                   +1 :              -0.00015998901707
                4p
                   -1 :              -0.00004740451190
                   +0 :              -0.00001270980119
                   +1 :               0.00002275675470
                3d
                   -2 :               0.00002841553270
                   -1 :              -0.00003017451725
                   +0 :              -0.00000777597115
                   +1 :               0.00006117178533
                   +2 :              -0.00003910759747
             12 vec=    -5.186775    -15.214893     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00003423388710
                2p
                   -1 :               0.00004935134841
                   +0 :               0.00000955199465
                   +1 :               0.00000391214750
                3s
                   +0 :               0.00000715234308
                4s
                   +0 :              -0.00005655867213
                3p
                   -1 :              -0.00015964843400
                   +0 :               0.00005486418367
                   +1 :              -0.00007071888694
                4p
                   -1 :               0.00006245212600
                   +0 :              -0.00000441135071
                   +1 :               0.00002016201999
                3d
                   -2 :               0.00003765730022
                   -1 :               0.00000559939076
                   +0 :              -0.00002791075204
                   +1 :               0.00000881849396
                   +2 :              -0.00003409936484
             13 vec=     2.593388     16.228260     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00000163523089
                2p
                   -1 :               0.00002903415388
                   +0 :               0.00000320964779
                   +1 :              -0.00001265701765
                3s
                   +0 :              -0.00009175109206
                4s
                   +0 :               0.00006639692289
                3p
                   -1 :              -0.00021917922815
                   +0 :               0.00004364989252
                   +1 :               0.00006833963133
                4p
                   -1 :               0.00008915987386
                   +0 :              -0.00003144928125
                   +1 :              -0.00000961051299
                3d
                   -2 :               0.00003486980426
                   -1 :               0.00001943800249
                   +0 :              -0.00002740065156
                   +1 :              -0.00000370908690
                   +2 :               0.00004254059235
             14 vec=   -12.966938    -10.723014     -5.671710   |vec|=   17.756486
                2s
                   +0 :              -0.00001185898206
                2p
                   -1 :               0.00000503690343
                   +0 :              -0.00000016654069
                   +1 :               0.00002508778729
                3s
                   +0 :               0.00004062347815
                4s
                   +0 :              -0.00003267766693
                3p
                   -1 :              -0.00001799907908
                   +0 :              -0.00001970131711
                   +1 :              -0.00013333181411
                4p
                   -1 :               0.00000114500777
                   +0 :               0.00001311035084
                   +1 :               0.00004701079924
                3d
                   -2 :               0.00001483507897
                   -1 :               0.00001464513404
                   +0 :              -0.00000182329966
                   +1 :               0.00001426405553
                   +2 :               0.00000730117761
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 13)  npairs=  14
              1 vec=     2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00011235155002
                2s
                   +0 :               0.00027945055840
                3s
                   +0 :              -0.00044975942712
                2p
                   -1 :               0.00008578850293
                   +0 :              -0.00063777012303
                   +1 :               0.00085035503011
                3p
                   -1 :              -0.00014573584273
                   +0 :               0.00066409980920
                   +1 :              -0.00071072072643
                3d
                   -2 :               0.00000217984822
                   -1 :               0.00000726066982
                   +0 :              -0.00000628535549
                   +1 :               0.00003851856673
                   +2 :              -0.00000168343888
              2 vec=     2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000389322862
                2s
                   +0 :               0.00061463183002
                3s
                   +0 :               0.00003406869786
                2p
                   -1 :               0.00000875262965
                   +0 :               0.00036282436116
                   +1 :              -0.00043397539992
                3p
                   -1 :              -0.00008773099943
                   +0 :              -0.00023048487389
                   +1 :               0.00017762384618
                3d
                   -2 :              -0.00003090093017
                   -1 :              -0.00000471102338
                   +0 :               0.00000046960315
                   +1 :               0.00000121596871
                   +2 :               0.00002342061274
              3 vec=    -5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00007650656641
                2s
                   +0 :              -0.00122224061996
                3s
                   +0 :               0.00006416076423
                2p
                   -1 :               0.00016929971538
                   +0 :               0.00113212814767
                   +1 :               0.00041445744108
                3p
                   -1 :               0.00018688637615
                   +0 :              -0.00004344389962
                   +1 :              -0.00018607030603
                3d
                   -2 :               0.00001053839980
                   -1 :              -0.00005791722662
                   +0 :              -0.00001447182538
                   +1 :               0.00000478057737
                   +2 :               0.00003650466258
              4 vec=    -5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00016260511333
                2s
                   +0 :               0.00172462562117
                3s
                   +0 :              -0.00021958835988
                2p
                   -1 :              -0.00049795611433
                   +0 :               0.00084849546950
                   +1 :              -0.00045679998315
                3p
                   -1 :               0.00023635166310
                   +0 :              -0.00003059081986
                   +1 :               0.00026836818201
                3d
                   -2 :              -0.00000517951411
                   -1 :              -0.00001796702562
                   +0 :               0.00005604200739
                   +1 :               0.00000247179371
                   +2 :              -0.00001861896929
              5 vec=    -5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002875237796
                2s
                   +0 :              -0.00038670651156
                3s
                   +0 :               0.00000714963587
                2p
                   -1 :              -0.00004573806916
                   +0 :               0.00010995254516
                   +1 :               0.00042818402277
                3p
                   -1 :              -0.00005846480226
                   +0 :               0.00020525233413
                   +1 :              -0.00004327904123
                3d
                   -2 :              -0.00000522265721
                   -1 :              -0.00000036033891
                   +0 :              -0.00002272250624
                   +1 :              -0.00001494426276
                   +2 :              -0.00002283243516
              6 vec=    -5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00003814737894
                2s
                   +0 :               0.00046504555492
                3s
                   +0 :              -0.00009958835186
                2p
                   -1 :               0.00004706816655
                   +0 :               0.00018371833358
                   +1 :              -0.00028334871442
                3p
                   -1 :              -0.00005998132720
                   +0 :              -0.00008418327002
                   +1 :               0.00003914393371
                3d
                   -2 :               0.00000773783045
                   -1 :              -0.00000213630423
                   +0 :              -0.00001229460929
                   +1 :              -0.00001370103276
                   +2 :               0.00000808401868
              7 vec=     2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00006407186897
                2s
                   +0 :              -0.00048945836682
                3s
                   +0 :               0.00015955466710
                2p
                   -1 :               0.00016229156880
                   +0 :               0.00007362095226
                   +1 :              -0.00010851426021
                3p
                   -1 :              -0.00000876163956
                   +0 :              -0.00000893189408
                   +1 :               0.00018744469075
                3d
                   -2 :              -0.00002468330517
                   -1 :              -0.00000366781722
                   +0 :               0.00001685854526
                   +1 :              -0.00002531297578
                   +2 :               0.00000286235012
              8 vec=     2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00006761785651
                2s
                   +0 :               0.00075242270782
                3s
                   +0 :              -0.00011987347163
                2p
                   -1 :              -0.00049392312579
                   +0 :               0.00050203192782
                   +1 :              -0.00037651108967
                3p
                   -1 :               0.00017064985474
                   +0 :              -0.00020225683438
                   +1 :               0.00008152104804
                3d
                   -2 :               0.00002816706177
                   -1 :               0.00000298249225
                   +0 :               0.00000591079868
                   +1 :              -0.00001860525061
                   +2 :              -0.00001390848727
              9 vec=     2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002256358358
                2s
                   +0 :              -0.00018404668149
                3s
                   +0 :               0.00005956473645
                2p
                   -1 :              -0.00017352025925
                   +0 :               0.00008551425708
                   +1 :              -0.00003063703324
                3p
                   -1 :               0.00006994907474
                   +0 :              -0.00002489793609
                   +1 :               0.00000332140729
                3d
                   -2 :              -0.00000011691323
                   -1 :              -0.00000459458172
                   +0 :              -0.00001471598445
                   +1 :               0.00000393153525
                   +2 :               0.00000074864919
             10 vec=     2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000109221051
                2s
                   +0 :               0.00005534295408
                3s
                   +0 :               0.00000560763075
                2p
                   -1 :               0.00003530269573
                   +0 :              -0.00000186179753
                   +1 :               0.00009387004233
                3p
                   -1 :               0.00003240907780
                   +0 :               0.00007149624406
                   +1 :              -0.00003788962969
                3d
                   -2 :               0.00000894792144
                   -1 :               0.00000103155918
                   +0 :               0.00001309372454
                   +1 :              -0.00000548433384
                   +2 :              -0.00000630353564
             11 vec=    10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000103168633
                2s
                   +0 :              -0.00005939966362
                3s
                   +0 :              -0.00000613786824
                2p
                   -1 :               0.00022742610098
                   +0 :              -0.00005961258201
                   +1 :              -0.00007257367393
                3p
                   -1 :              -0.00017035439111
                   +0 :               0.00007832959584
                   +1 :               0.00000323707462
                3d
                   -2 :              -0.00000976249671
                   -1 :               0.00001676479793
                   +0 :              -0.00000610182943
                   +1 :              -0.00000249993966
                   +2 :              -0.00000768162723
             12 vec=    10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00003862734456
                2s
                   +0 :              -0.00035159345255
                3s
                   +0 :               0.00004070231520
                2p
                   -1 :               0.00000126357842
                   +0 :              -0.00044833497200
                   +1 :              -0.00001975031172
                3p
                   -1 :              -0.00004737012918
                   +0 :               0.00006670697717
                   +1 :               0.00000735679249
                3d
                   -2 :              -0.00000291691610
                   -1 :               0.00000871839103
                   +0 :              -0.00004365498581
                   +1 :              -0.00003014231658
                   +2 :              -0.00000239888297
             13 vec=    10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000509750437
                2s
                   +0 :              -0.00008612323454
                3s
                   +0 :               0.00001093091073
                2p
                   -1 :              -0.00010295912585
                   +0 :               0.00002835190695
                   +1 :              -0.00012639019548
                3p
                   -1 :               0.00005438539440
                   +0 :              -0.00002443171901
                   +1 :               0.00005613134456
                3d
                   -2 :              -0.00000411327458
                   -1 :              -0.00000698606072
                   +0 :              -0.00000081344535
                   +1 :              -0.00000615653758
                   +2 :               0.00000772766661
             14 vec=    10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001481272802
                2s
                   +0 :               0.00019762389245
                3s
                   +0 :              -0.00003217985221
                2p
                   -1 :               0.00005848052380
                   +0 :              -0.00002017731749
                   +1 :               0.00014941991856
                3p
                   -1 :               0.00001633282272
                   +0 :               0.00000080371075
                   +1 :              -0.00003118488206
                3d
                   -2 :               0.00001231726095
                   -1 :               0.00000520548917
                   +0 :              -0.00000778269793
                   +1 :              -0.00000423892659
                   +2 :              -0.00000419813250
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 14)  npairs=  14
              1 vec=    -2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005138801614
                2s
                   +0 :              -0.00021207761047
                3s
                   +0 :              -0.00017267468485
                2p
                   -1 :              -0.00013402939524
                   +0 :               0.00015340316473
                   +1 :              -0.00080924998946
                3p
                   -1 :               0.00015574440396
                   +0 :              -0.00008495185647
                   +1 :               0.00045393889204
                3d
                   -2 :              -0.00004060619978
                   -1 :              -0.00000427432236
                   +0 :               0.00002551597276
                   +1 :               0.00000069555671
                   +2 :              -0.00003235442596
              2 vec=    -2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005107437224
                2s
                   +0 :               0.00007354071202
                3s
                   +0 :               0.00028963687950
                2p
                   -1 :              -0.00044268181087
                   +0 :              -0.00053940464173
                   +1 :               0.00040287973676
                3p
                   -1 :               0.00040797314476
                   +0 :               0.00054584355339
                   +1 :              -0.00039908109721
                3d
                   -2 :               0.00000473965686
                   -1 :               0.00000109089587
                   +0 :              -0.00000075581771
                   +1 :              -0.00004173577145
                   +2 :               0.00000108151208
              3 vec=     5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011310567663
                2s
                   +0 :              -0.00142879227262
                3s
                   +0 :               0.00011187043363
                2p
                   -1 :               0.00056263505465
                   +0 :               0.00120835647869
                   +1 :              -0.00062320550806
                3p
                   -1 :              -0.00027732566015
                   +0 :              -0.00001993595634
                   +1 :               0.00032106838780
                3d
                   -2 :               0.00000082878683
                   -1 :              -0.00002445655031
                   +0 :              -0.00007664525200
                   +1 :              -0.00000453217468
                   +2 :               0.00003463950397
              4 vec=     5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00013607119614
                2s
                   +0 :               0.00162267250503
                3s
                   +0 :              -0.00019574717281
                2p
                   -1 :              -0.00009328992964
                   +0 :               0.00087408774895
                   +1 :               0.00009990800402
                3p
                   -1 :              -0.00016116425479
                   +0 :              -0.00006379943753
                   +1 :              -0.00002917366999
                3d
                   -2 :               0.00000498869578
                   -1 :              -0.00004942765330
                   +0 :               0.00001586454799
                   +1 :              -0.00001142895590
                   +2 :              -0.00002405132198
              5 vec=    -2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00006869926512
                2s
                   +0 :              -0.00078900404641
                3s
                   +0 :               0.00013263975498
                2p
                   -1 :               0.00043232555265
                   +0 :               0.00042606342489
                   +1 :              -0.00039200907087
                3p
                   -1 :              -0.00008395090634
                   +0 :              -0.00013541294486
                   +1 :               0.00012783117449
                3d
                   -2 :               0.00000614053484
                   -1 :              -0.00001479205753
                   +0 :              -0.00000160332267
                   +1 :               0.00000832014020
                   +2 :               0.00000645855585
              6 vec=    -2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004605727952
                2s
                   +0 :               0.00037722371042
                3s
                   +0 :              -0.00007264370751
                2p
                   -1 :               0.00001518195721
                   +0 :               0.00016743175292
                   +1 :              -0.00009570322636
                3p
                   -1 :              -0.00015310622798
                   +0 :              -0.00001721270437
                   +1 :               0.00020916193727
                3d
                   -2 :              -0.00003646757196
                   -1 :              -0.00001044556997
                   +0 :               0.00000120306812
                   +1 :               0.00003839336998
                   +2 :              -0.00002028594835
              7 vec=     5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00002727460722
                2s
                   +0 :              -0.00035740924169
                3s
                   +0 :               0.00011086636918
                2p
                   -1 :               0.00000826814901
                   +0 :               0.00034948443781
                   +1 :              -0.00026733185113
                3p
                   -1 :               0.00001743299483
                   +0 :              -0.00020735676778
                   +1 :              -0.00003740194340
                3d
                   -2 :               0.00000480650326
                   -1 :              -0.00000340648985
                   +0 :               0.00002264517169
                   +1 :               0.00002322183671
                   +2 :              -0.00000500649969
              8 vec=     5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00007290521981
                2s
                   +0 :               0.00076869345736
                3s
                   +0 :              -0.00009646399767
                2p
                   -1 :               0.00004240956568
                   +0 :               0.00005165524351
                   +1 :               0.00028541316428
                3p
                   -1 :               0.00006291677913
                   +0 :               0.00020198148165
                   +1 :              -0.00002495107076
                3d
                   -2 :              -0.00000213609637
                   -1 :              -0.00000270199716
                   +0 :               0.00001880648107
                   +1 :               0.00002771626749
                   +2 :               0.00001489464171
              9 vec=   -10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000074905450
                2s
                   +0 :              -0.00005588268249
                3s
                   +0 :              -0.00000822986059
                2p
                   -1 :               0.00009012958461
                   +0 :               0.00006508429377
                   +1 :               0.00010366938833
                3p
                   -1 :              -0.00003371241566
                   +0 :              -0.00004247381718
                   +1 :              -0.00001181199432
                3d
                   -2 :              -0.00000107422009
                   -1 :               0.00000797640653
                   +0 :               0.00000245249648
                   +1 :               0.00000429872734
                   +2 :              -0.00000191465380
             10 vec=   -10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00005612941392
                2s
                   +0 :              -0.00042751309163
                3s
                   +0 :               0.00014182459659
                2p
                   -1 :               0.00012553073041
                   +0 :              -0.00043994931671
                   +1 :              -0.00005630628040
                3p
                   -1 :              -0.00000639480247
                   +0 :               0.00015869246513
                   +1 :               0.00000499775442
                3d
                   -2 :              -0.00000564604237
                   -1 :               0.00001306470391
                   +0 :              -0.00001561561958
                   +1 :               0.00000464354553
                   +2 :               0.00000315915465
             11 vec=    -2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000690631493
                2s
                   +0 :              -0.00005322783094
                3s
                   +0 :              -0.00000350611813
                2p
                   -1 :               0.00000124654560
                   +0 :              -0.00005963009216
                   +1 :               0.00016186733206
                3p
                   -1 :              -0.00006180091541
                   +0 :               0.00009914697307
                   +1 :              -0.00009866153188
                3d
                   -2 :               0.00001612856755
                   -1 :               0.00000584547552
                   +0 :              -0.00002207609755
                   +1 :              -0.00000389697881
                   +2 :              -0.00000067695539
             12 vec=    -2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000794745725
                2s
                   +0 :               0.00013352201165
                3s
                   +0 :              -0.00002802734831
                2p
                   -1 :               0.00012039073152
                   +0 :               0.00014145825496
                   +1 :              -0.00004021100765
                3p
                   -1 :              -0.00005960787455
                   +0 :              -0.00005522076504
                   +1 :               0.00000446241059
                3d
                   -2 :               0.00000321874288
                   -1 :               0.00000141781195
                   +0 :               0.00000165987637
                   +1 :              -0.00000287638782
                   +2 :              -0.00000441977986
             13 vec=   -10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000167880122
                2s
                   +0 :              -0.00004299897007
                3s
                   +0 :              -0.00004000460286
                2p
                   -1 :              -0.00009185616580
                   +0 :              -0.00009864524308
                   +1 :               0.00000082343567
                3p
                   -1 :              -0.00000336196039
                   +0 :               0.00006632470935
                   +1 :               0.00007401315978
                3d
                   -2 :               0.00000826817952
                   -1 :               0.00000490590510
                   +0 :              -0.00000378218070
                   +1 :              -0.00000847456608
                   +2 :              -0.00000478343771
             14 vec=   -10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001420622102
                2s
                   +0 :               0.00015978566879
                3s
                   +0 :              -0.00005470743582
                2p
                   -1 :               0.00000146434553
                   +0 :              -0.00000790099866
                   +1 :              -0.00014822219046
                3p
                   -1 :               0.00003565917618
                   +0 :              -0.00001978321550
                   +1 :               0.00007073050683
                3d
                   -2 :              -0.00000898914681
                   -1 :               0.00000245171166
                   +0 :              -0.00000834079322
                   +1 :               0.00001483725042
                   +2 :              -0.00000220598495
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 15)  npairs=  18
              1 vec=     0.000000     -3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00007003262174
                2s
                   +0 :               0.00015738000483
                3s
                   +0 :              -0.00020938305970
                2p
                   -1 :              -0.00054442587849
                   +0 :               0.00004362875658
                   +1 :               0.00001559611896
                3p
                   -1 :               0.00045834687862
                   +0 :               0.00000343475605
                   +1 :              -0.00005690006666
                3d
                   -2 :              -0.00003536314849
                   -1 :              -0.00002167803936
                   +0 :               0.00001950432715
                   +1 :              -0.00002112518713
                   +2 :               0.00002675332302
              2 vec=     0.000000     -3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00004930699289
                2s
                   +0 :               0.00004858177111
                3s
                   +0 :               0.00021269927199
                2p
                   -1 :               0.00045357831836
                   +0 :               0.00010122262216
                   +1 :               0.00001804136694
                3p
                   -1 :              -0.00037903383735
                   +0 :               0.00001838689651
                   +1 :              -0.00005213532219
                3d
                   -2 :              -0.00002776572080
                   -1 :              -0.00003254008148
                   +0 :               0.00000395060304
                   +1 :               0.00002141399026
                   +2 :              -0.00000674714517
              3 vec=     0.000000      5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00009371620971
                2s
                   +0 :              -0.00123530933475
                3s
                   +0 :               0.00013647655660
                2p
                   -1 :               0.00009513515764
                   +0 :               0.00093570993441
                   +1 :               0.00007299024770
                3p
                   -1 :              -0.00016347149283
                   +0 :              -0.00003355489833
                   +1 :              -0.00009128944154
                3d
                   -2 :               0.00001379473897
                   -1 :               0.00002054228592
                   +0 :              -0.00000000955505
                   +1 :               0.00002372264186
                   +2 :              -0.00003269414483
              4 vec=     0.000000      5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00010429068627
                2s
                   +0 :               0.00120316390848
                3s
                   +0 :              -0.00026583710990
                2p
                   -1 :               0.00019089723953
                   +0 :               0.00060941802295
                   +1 :               0.00024954095317
                3p
                   -1 :              -0.00012854007883
                   +0 :              -0.00008303688002
                   +1 :              -0.00017569234396
                3d
                   -2 :               0.00001161883206
                   -1 :              -0.00006521332052
                   +0 :              -0.00000459006059
                   +1 :              -0.00001449964398
                   +2 :               0.00007175093602
              5 vec=    -7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00010097935475
                2s
                   +0 :              -0.00154495591557
                3s
                   +0 :               0.00016509032573
                2p
                   -1 :              -0.00041693563745
                   +0 :               0.00109672523299
                   +1 :               0.00062846629797
                3p
                   -1 :              -0.00003673870362
                   +0 :              -0.00015614133709
                   +1 :              -0.00008244306235
                3d
                   -2 :               0.00004738489525
                   -1 :               0.00003302096498
                   +0 :              -0.00002069183737
                   +1 :              -0.00003238545620
                   +2 :              -0.00000626750955
              6 vec=    -7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00006833354923
                2s
                   +0 :               0.00068913024514
                3s
                   +0 :              -0.00014476662334
                2p
                   -1 :               0.00046787828435
                   +0 :               0.00031375495426
                   +1 :              -0.00006716734870
                3p
                   -1 :              -0.00012549280422
                   +0 :              -0.00005533088950
                   +1 :              -0.00009755938133
                3d
                   -2 :              -0.00001308231172
                   -1 :               0.00001678665621
                   +0 :              -0.00000872606106
                   +1 :              -0.00001405343915
                   +2 :               0.00000520855506
              7 vec=     7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005817972889
                2s
                   +0 :              -0.00060909879200
                3s
                   +0 :               0.00011978688833
                2p
                   -1 :              -0.00052812510560
                   +0 :               0.00028081521215
                   +1 :              -0.00010562011100
                3p
                   -1 :               0.00016084253167
                   +0 :              -0.00006045995865
                   +1 :              -0.00008088064882
                3d
                   -2 :              -0.00002331131890
                   -1 :               0.00000928670680
                   +0 :               0.00001437171217
                   +1 :               0.00002264038678
                   +2 :              -0.00000315796818
              8 vec=     7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00011130659697
                2s
                   +0 :               0.00153663138334
                3s
                   +0 :              -0.00016831783605
                2p
                   -1 :               0.00051932550698
                   +0 :               0.00089637638440
                   +1 :               0.00054999185709
                3p
                   -1 :              -0.00009506381325
                   +0 :              -0.00015237479779
                   +1 :              -0.00011390740847
                3d
                   -2 :               0.00001772858813
                   -1 :               0.00002860552207
                   +0 :               0.00001628830204
                   +1 :               0.00001053228410
                   +2 :               0.00000739830913
              9 vec=    -7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001447602733
                2s
                   +0 :              -0.00011781294901
                3s
                   +0 :               0.00005585980495
                2p
                   -1 :               0.00010873359115
                   +0 :               0.00004555529443
                   +1 :               0.00007866674059
                3p
                   -1 :               0.00000564267284
                   +0 :              -0.00002306439481
                   +1 :               0.00000763647932
                3d
                   -2 :               0.00000197084724
                   -1 :               0.00000089286487
                   +0 :              -0.00000006961926
                   +1 :               0.00000413780299
                   +2 :              -0.00000154447371
             10 vec=    -7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000012091920
                2s
                   +0 :               0.00004271735391
                3s
                   +0 :               0.00001544984193
                2p
                   -1 :               0.00009011774056
                   +0 :              -0.00002047703983
                   +1 :              -0.00009853702985
                3p
                   -1 :              -0.00014122978879
                   +0 :               0.00005643440934
                   +1 :               0.00003106748768
                3d
                   -2 :               0.00001093897740
                   -1 :              -0.00001250236569
                   +0 :               0.00000320281010
                   +1 :               0.00000726122802
                   +2 :              -0.00000686672812
             11 vec=     7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000049016384
                2s
                   +0 :              -0.00003849853428
                3s
                   +0 :              -0.00000531247799
                2p
                   -1 :              -0.00011973837070
                   +0 :               0.00005640530217
                   +1 :              -0.00011883163784
                3p
                   -1 :               0.00017575327195
                   +0 :              -0.00001793388533
                   +1 :               0.00006705482495
                3d
                   -2 :               0.00001001041321
                   -1 :              -0.00000915309969
                   +0 :               0.00000202958874
                   +1 :              -0.00000830922596
                   +2 :               0.00000679110283
             12 vec=     7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001606937606
                2s
                   +0 :               0.00015472319638
                3s
                   +0 :              -0.00004811948309
                2p
                   -1 :              -0.00011410153616
                   +0 :               0.00005315849092
                   +1 :               0.00009011343144
                3p
                   -1 :               0.00002322094839
                   +0 :               0.00000732299443
                   +1 :              -0.00000617397007
                3d
                   -2 :               0.00000139515726
                   -1 :               0.00000168361329
                   +0 :               0.00000418239361
                   +1 :              -0.00000636570146
                   +2 :               0.00000126437832
             13 vec=     0.000000    -12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001747582370
                2s
                   +0 :              -0.00014642909564
                3s
                   +0 :               0.00005010168265
                2p
                   -1 :               0.00016511414101
                   +0 :               0.00010744477279
                   +1 :               0.00003913513192
                3p
                   -1 :              -0.00005050805910
                   +0 :              -0.00005292793840
                   +1 :              -0.00005046805907
                3d
                   -2 :               0.00000660706638
                   -1 :               0.00000508001182
                   +0 :              -0.00000026406864
                   +1 :               0.00000205537021
                   +2 :               0.00000118136112
             14 vec=     0.000000    -12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00003257665592
                2s
                   +0 :               0.00025140064042
                3s
                   +0 :              -0.00008889987445
                2p
                   -1 :              -0.00020722821403
                   +0 :               0.00006866808765
                   +1 :               0.00004736080965
                3p
                   -1 :               0.00009037881735
                   +0 :              -0.00005415230363
                   +1 :              -0.00005529256252
                3d
                   -2 :               0.00000859267856
                   -1 :               0.00000537208518
                   +0 :              -0.00000098324976
                   +1 :              -0.00000513136247
                   +2 :               0.00000160625353
             15 vec=    -7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001592857773
                2s
                   +0 :              -0.00012013271171
                3s
                   +0 :               0.00004806064671
                2p
                   -1 :              -0.00013642683643
                   +0 :               0.00000798352596
                   +1 :              -0.00000023554488
                3p
                   -1 :               0.00007666756886
                   +0 :              -0.00003823457753
                   +1 :              -0.00001296688145
                3d
                   -2 :              -0.00000019041826
                   -1 :              -0.00000738972731
                   +0 :               0.00000472792975
                   +1 :               0.00000099161008
                   +2 :              -0.00000173785472
             16 vec=    -7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000865127251
                2s
                   +0 :               0.00008991372267
                3s
                   +0 :              -0.00003693567469
                2p
                   -1 :               0.00006024573003
                   +0 :               0.00002999616735
                   +1 :               0.00000446578883
                3p
                   -1 :              -0.00003358657997
                   +0 :              -0.00003977214665
                   +1 :               0.00002992099797
                3d
                   -2 :               0.00000498309026
                   -1 :              -0.00000822243176
                   +0 :              -0.00000214417057
                   +1 :               0.00000541204671
                   +2 :              -0.00000033116394
             17 vec=     7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000952024389
                2s
                   +0 :              -0.00009657365639
                3s
                   +0 :               0.00003536826556
                2p
                   -1 :              -0.00000732463387
                   +0 :              -0.00001342687600
                   +1 :              -0.00007168761044
                3p
                   -1 :              -0.00001810266153
                   +0 :              -0.00000218647388
                   +1 :               0.00008185182882
                3d
                   -2 :               0.00000860313290
                   -1 :              -0.00000409735266
                   +0 :              -0.00000394726659
                   +1 :              -0.00000897907021
                   +2 :               0.00000627131445
             18 vec=     7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000707461646
                2s
                   +0 :               0.00002629826143
                3s
                   +0 :              -0.00000536219065
                2p
                   -1 :               0.00002451662088
                   +0 :              -0.00011636443132
                   +1 :               0.00003959657248
                3p
                   -1 :               0.00000256998520
                   +0 :               0.00003640300478
                   +1 :              -0.00004185423221
                3d
                   -2 :              -0.00000155787595
                   -1 :               0.00000827538349
                   +0 :               0.00000138581546
                   +1 :              -0.00000458761935
                   +2 :              -0.00000416501533
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 16)  npairs=  12
              1 vec=    -2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00029478039864
                2s
                   +0 :               0.00327266786868
                3s
                   +0 :              -0.00047828088723
                2p
                   -1 :              -0.00086042995223
                   +0 :              -0.01058906631451
                   +1 :               0.00188820140405
                3p
                   -1 :               0.00211635484192
                   +0 :              -0.00342600090110
                   +1 :              -0.00258994096460
                3d
                   -2 :              -0.00033575491001
                   -1 :              -0.00170455628708
                   +0 :               0.00005991751157
                   +1 :               0.00115072428702
                   +2 :              -0.00018853481007
              2 vec=    -2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00152039731241
                2s
                   +0 :               0.00849093510369
                3s
                   +0 :              -0.00414392535776
                2p
                   -1 :              -0.00865246154893
                   +0 :              -0.00634605075745
                   +1 :               0.00039197353099
                3p
                   -1 :               0.00638153074401
                   +0 :               0.00158388572181
                   +1 :              -0.00053104063994
                3d
                   -2 :              -0.00009794927145
                   -1 :               0.00092898653256
                   +0 :               0.00044412486616
                   +1 :               0.00010857190121
                   +2 :               0.00037826559130
              3 vec=     5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00183143528028
                2s
                   +0 :              -0.01191413383907
                3s
                   +0 :               0.00522129450028
                2p
                   -1 :              -0.00008703587955
                   +0 :              -0.00053186364319
                   +1 :              -0.00799953335878
                3p
                   -1 :               0.00009382145524
                   +0 :              -0.00344686003449
                   +1 :               0.00446104449816
                3d
                   -2 :               0.00028974244272
                   -1 :              -0.00022122826569
                   +0 :              -0.00026343498817
                   +1 :              -0.00062084055138
                   +2 :               0.00013653382030
              4 vec=   -10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00002491643833
                2s
                   +0 :               0.00061228270426
                3s
                   +0 :               0.00018098131637
                2p
                   -1 :               0.00008405829911
                   +0 :               0.00019076437874
                   +1 :              -0.00142708436664
                3p
                   -1 :              -0.00009397886825
                   +0 :              -0.00055116179735
                   +1 :               0.00062945420347
                3d
                   -2 :               0.00006822976108
                   -1 :               0.00004882045982
                   +0 :               0.00011140332449
                   +1 :               0.00010437471539
                   +2 :              -0.00000371074631
              5 vec=     5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00001236752025
                2s
                   +0 :              -0.00033949893672
                3s
                   +0 :              -0.00007796581603
                2p
                   -1 :              -0.00139899823594
                   +0 :              -0.00042057821026
                   +1 :               0.00020918124595
                3p
                   -1 :               0.00088731841363
                   +0 :              -0.00004254564377
                   +1 :              -0.00038905642369
                3d
                   -2 :               0.00001508418294
                   -1 :              -0.00001972737253
                   +0 :               0.00003327708170
                   +1 :              -0.00000982990794
                   +2 :              -0.00008665950327
              6 vec=     5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00018484561981
                2s
                   +0 :               0.00086440096113
                3s
                   +0 :              -0.00054333390177
                2p
                   -1 :              -0.00070758413783
                   +0 :               0.00020300675080
                   +1 :               0.00041410226603
                3p
                   -1 :               0.00075625027179
                   +0 :              -0.00049584123390
                   +1 :              -0.00039901435553
                3d
                   -2 :               0.00007492872765
                   -1 :               0.00002634688680
                   +0 :               0.00001915965775
                   +1 :              -0.00003757620283
                   +2 :               0.00000552445039
              7 vec=   -10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00006378585088
                2s
                   +0 :               0.00043889685936
                3s
                   +0 :              -0.00019593710125
                2p
                   -1 :               0.00015967357741
                   +0 :              -0.00015149733752
                   +1 :              -0.00045482697008
                3p
                   -1 :              -0.00011617323459
                   +0 :               0.00004552989434
                   +1 :               0.00032472949642
                3d
                   -2 :               0.00001370996138
                   -1 :               0.00000666462223
                   +0 :              -0.00001511881450
                   +1 :              -0.00000647226112
                   +2 :              -0.00001593160893
              8 vec=    -2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00002007497662
                2s
                   +0 :               0.00011046078370
                3s
                   +0 :              -0.00007384547939
                2p
                   -1 :              -0.00019751120374
                   +0 :              -0.00039387339325
                   +1 :               0.00030440338298
                3p
                   -1 :               0.00013095119331
                   +0 :               0.00026455598897
                   +1 :              -0.00019899262750
                3d
                   -2 :               0.00000368344699
                   -1 :              -0.00000732707763
                   +0 :               0.00001241958001
                   +1 :              -0.00001269937461
                   +2 :               0.00000817839739
              9 vec=   -10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00001446440112
                2s
                   +0 :               0.00012011414837
                3s
                   +0 :              -0.00002960194206
                2p
                   -1 :               0.00011568098598
                   +0 :               0.00012889294071
                   +1 :              -0.00015250241544
                3p
                   -1 :              -0.00012632108719
                   +0 :              -0.00013051095511
                   +1 :               0.00010956700228
                3d
                   -2 :               0.00000095171809
                   -1 :               0.00000892220573
                   +0 :              -0.00001882197385
                   +1 :              -0.00000776434516
                   +2 :              -0.00001691300759
             10 vec=    13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00005307758048
                2s
                   +0 :              -0.00033411580748
                3s
                   +0 :               0.00013158514637
                2p
                   -1 :              -0.00017304768391
                   +0 :               0.00014449132134
                   +1 :              -0.00031330678495
                3p
                   -1 :               0.00010539773751
                   +0 :              -0.00016415154297
                   +1 :               0.00020542230674
                3d
                   -2 :              -0.00000855461590
                   -1 :               0.00000292753762
                   +0 :              -0.00000433930810
                   +1 :              -0.00000318105403
                   +2 :               0.00000753427909
             11 vec=    -2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00001004890606
                2s
                   +0 :               0.00002593861007
                3s
                   +0 :              -0.00001208153530
                2p
                   -1 :              -0.00001963623873
                   +0 :               0.00005586407757
                   +1 :               0.00002910989954
                3p
                   -1 :               0.00003523908827
                   +0 :              -0.00009085538462
                   +1 :              -0.00000713518796
                3d
                   -2 :               0.00000008257749
                   -1 :               0.00000172076117
                   +0 :              -0.00000501638378
                   +1 :              -0.00000829534637
                   +2 :              -0.00000835135203
             12 vec=    13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00002403149286
                2s
                   +0 :               0.00014347120924
                3s
                   +0 :              -0.00011731053082
                2p
                   -1 :               0.00017489088225
                   +0 :              -0.00007053532749
                   +1 :               0.00029133914584
                3p
                   -1 :              -0.00009520867385
                   +0 :               0.00003587940522
                   +1 :              -0.00024845632322
                3d
                   -2 :              -0.00000021154692
                   -1 :              -0.00001366646964
                   +0 :               0.00002344187561
                   +1 :              -0.00000490610909
                   +2 :              -0.00001130560148
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 17)  npairs=  12
              1 vec=     2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00030657203516
                2s
                   +0 :              -0.00347584148830
                3s
                   +0 :               0.00046982005948
                2p
                   -1 :               0.00067523725511
                   +0 :              -0.01065011429389
                   +1 :               0.00184630301815
                3p
                   -1 :              -0.00205643790306
                   +0 :              -0.00337408324105
                   +1 :              -0.00260262912655
                3d
                   -2 :              -0.00032940778708
                   -1 :              -0.00169961317056
                   +0 :              -0.00006667736527
                   +1 :              -0.00115028502014
                   +2 :               0.00019289883222
              2 vec=    -5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00181034838765
                2s
                   +0 :               0.01171365364837
                3s
                   +0 :              -0.00517999677337
                2p
                   -1 :               0.00010109725233
                   +0 :              -0.00055992358008
                   +1 :              -0.00790802599184
                3p
                   -1 :              -0.00007814257416
                   +0 :              -0.00342229678137
                   +1 :               0.00446696263674
                3d
                   -2 :               0.00028870849313
                   -1 :              -0.00022024657485
                   +0 :               0.00026053124026
                   +1 :               0.00061952419877
                   +2 :              -0.00013627765544
              3 vec=     2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00151391167551
                2s
                   +0 :              -0.00850597283054
                3s
                   +0 :               0.00409423377359
                2p
                   -1 :               0.00873349110893
                   +0 :              -0.00634368393565
                   +1 :               0.00040767011149
                3p
                   -1 :              -0.00639346790641
                   +0 :               0.00158218326386
                   +1 :              -0.00057963770236
                3d
                   -2 :              -0.00009424820672
                   -1 :               0.00092806817504
                   +0 :              -0.00044682461258
                   +1 :              -0.00011050512154
                   +2 :              -0.00037895443609
              4 vec=    -5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00001639967088
                2s
                   +0 :               0.00029511529477
                3s
                   +0 :               0.00008247397667
                2p
                   -1 :               0.00139534990729
                   +0 :              -0.00042924879637
                   +1 :               0.00023627393537
                3p
                   -1 :              -0.00090253531889
                   +0 :              -0.00003745200038
                   +1 :              -0.00039589962945
                3d
                   -2 :               0.00001774238049
                   -1 :              -0.00001811251719
                   +0 :              -0.00003310651163
                   +1 :               0.00000925247095
                   +2 :               0.00008805750832
              5 vec=    10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00002232384939
                2s
                   +0 :              -0.00064062472534
                3s
                   +0 :              -0.00017553328611
                2p
                   -1 :              -0.00008526611916
                   +0 :               0.00019851260085
                   +1 :              -0.00150236343000
                3p
                   -1 :               0.00010029055467
                   +0 :              -0.00055737945302
                   +1 :               0.00066170963424
                3d
                   -2 :               0.00007026418704
                   -1 :               0.00004889051404
                   +0 :              -0.00011322501357
                   +1 :              -0.00010390245197
                   +2 :               0.00000445432056
              6 vec=    -5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00018079838759
                2s
                   +0 :              -0.00082698838737
                3s
                   +0 :               0.00053837479893
                2p
                   -1 :               0.00070050578914
                   +0 :               0.00018726067974
                   +1 :               0.00043565026050
                3p
                   -1 :              -0.00074225217375
                   +0 :              -0.00048161336488
                   +1 :              -0.00039651014768
                3d
                   -2 :               0.00007301666865
                   -1 :               0.00002643428549
                   +0 :              -0.00001820224973
                   +1 :               0.00003803432344
                   +2 :              -0.00000538285139
              7 vec=     2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00002414820962
                2s
                   +0 :              -0.00014771765192
                3s
                   +0 :               0.00008731131433
                2p
                   -1 :               0.00016988097798
                   +0 :              -0.00040439082550
                   +1 :               0.00028381850613
                3p
                   -1 :              -0.00011754343086
                   +0 :               0.00027407522767
                   +1 :              -0.00018645243626
                3d
                   -2 :               0.00000336999159
                   -1 :              -0.00000656983410
                   +0 :              -0.00001134799413
                   +1 :               0.00001311321744
                   +2 :              -0.00000745734325
              8 vec=    10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00006375480805
                2s
                   +0 :              -0.00044230732246
                3s
                   +0 :               0.00019441064715
                2p
                   -1 :              -0.00017041028176
                   +0 :              -0.00015525179657
                   +1 :              -0.00046167265388
                3p
                   -1 :               0.00012327655159
                   +0 :               0.00004868353879
                   +1 :               0.00032242496648
                3d
                   -2 :               0.00001383903243
                   -1 :               0.00000643040200
                   +0 :               0.00001517383921
                   +1 :               0.00000648195537
                   +2 :               0.00001582138664
              9 vec=   -13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00005510668963
                2s
                   +0 :               0.00035967954701
                3s
                   +0 :              -0.00013244680371
                2p
                   -1 :               0.00017969511397
                   +0 :               0.00014765661607
                   +1 :              -0.00031270879787
                3p
                   -1 :              -0.00010558624823
                   +0 :              -0.00016217966274
                   +1 :               0.00020674212791
                3d
                   -2 :              -0.00000802077683
                   -1 :               0.00000307235230
                   +0 :               0.00000535003213
                   +1 :               0.00000257689373
                   +2 :              -0.00000812261361
             10 vec=    10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00001045722179
                2s
                   +0 :              -0.00008030731671
                3s
                   +0 :               0.00002326799516
                2p
                   -1 :              -0.00011894386962
                   +0 :               0.00012098895080
                   +1 :              -0.00014138123410
                3p
                   -1 :               0.00012698140784
                   +0 :              -0.00012739509906
                   +1 :               0.00010680444471
                3d
                   -2 :               0.00000029067146
                   -1 :               0.00000896037320
                   +0 :               0.00001851457681
                   +1 :               0.00000714570065
                   +2 :               0.00001782282376
             11 vec=   -13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00002262676021
                2s
                   +0 :              -0.00012578897338
                3s
                   +0 :               0.00011553881761
                2p
                   -1 :              -0.00018000914303
                   +0 :              -0.00006845389459
                   +1 :               0.00028229004694
                3p
                   -1 :               0.00010137824122
                   +0 :               0.00003653303533
                   +1 :              -0.00024045832661
                3d
                   -2 :              -0.00000064471575
                   -1 :              -0.00001348372283
                   +0 :              -0.00002243298938
                   +1 :               0.00000467907671
                   +2 :               0.00001129850995
             12 vec=     2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00000747482263
                2s
                   +0 :               0.00000297562125
                3s
                   +0 :               0.00000694798269
                2p
                   -1 :               0.00002136808131
                   +0 :               0.00005179895306
                   +1 :               0.00004413914890
                3p
                   -1 :              -0.00003865267232
                   +0 :              -0.00008978861456
                   +1 :              -0.00001579406528
                3d
                   -2 :               0.00000027538358
                   -1 :               0.00000223680369
                   +0 :               0.00000415215473
                   +1 :               0.00000831012624
                   +2 :               0.00000764565545
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 18)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00005407150273
                2s
                   +0 :              -0.00084063172066
                3s
                   +0 :               0.00008369490666
                2p
                   -1 :               0.00015502194303
                   +0 :               0.87413062801941
                   +1 :              -0.03350012734177
                3p
                   -1 :              -0.00009480142093
                   +0 :              -0.03993700332811
                   +1 :               0.01390683687372
                3d
                   -2 :              -0.00223765638668
                   -1 :               0.00438667840043
                   +0 :              -0.00005560507918
                   +1 :               0.00000816684084
                   +2 :              -0.00000891025072
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027722237110
                2s
                   +0 :               0.00200349423711
                3s
                   +0 :              -0.00119908202443
                2p
                   -1 :              -0.00120327007766
                   +0 :               0.00074531026289
                   +1 :              -0.00161723214516
                3p
                   -1 :               0.00092586166139
                   +0 :              -0.00055932545216
                   +1 :               0.00171041851830
                3d
                   -2 :              -0.00018868851878
                   -1 :               0.00013700848558
                   +0 :               0.00001548699746
                   +1 :               0.00008741669487
                   +2 :              -0.00010982884440
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00004970320497
                2s
                   +0 :              -0.00005310434002
                3s
                   +0 :               0.00022531684856
                2p
                   -1 :              -0.00020460817422
                   +0 :              -0.00018832464103
                   +1 :               0.00084738001451
                3p
                   -1 :               0.00021582514375
                   +0 :               0.00035331360528
                   +1 :              -0.00088054865408
                3d
                   -2 :               0.00007830539188
                   -1 :               0.00001158882269
                   +0 :               0.00000740888074
                   +1 :              -0.00011907705957
                   +2 :               0.00002289747910
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000349307767
                2s
                   +0 :               0.00002407586169
                3s
                   +0 :              -0.00001432057018
                2p
                   -1 :              -0.00000824905230
                   +0 :               0.00069109469443
                   +1 :               0.00006913400559
                3p
                   -1 :               0.00001672241251
                   +0 :              -0.00032478220203
                   +1 :               0.00010657369009
                3d
                   -2 :              -0.00003554786743
                   -1 :              -0.00003470372682
                   +0 :               0.00000057840450
                   +1 :               0.00000122217763
                   +2 :               0.00000115480535
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000527679068
                2s
                   +0 :              -0.00004705673665
                3s
                   +0 :               0.00001189245282
                2p
                   -1 :              -0.00001111211549
                   +0 :              -0.00030302219147
                   +1 :              -0.00169379416486
                3p
                   -1 :              -0.00000661721403
                   +0 :               0.00071211784702
                   +1 :               0.00183097441756
                3d
                   -2 :               0.00006256457974
                   -1 :               0.00019160325227
                   +0 :               0.00000163522270
                   +1 :               0.00000088158997
                   +2 :               0.00000114490328
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027845956863
                2s
                   +0 :              -0.00201196265157
                3s
                   +0 :               0.00120150615635
                2p
                   -1 :               0.00124690533400
                   +0 :               0.00072038367312
                   +1 :              -0.00165742490250
                3p
                   -1 :              -0.00094146013480
                   +0 :              -0.00054050536233
                   +1 :               0.00172561324372
                3d
                   -2 :              -0.00018789797580
                   -1 :               0.00013671707035
                   +0 :              -0.00001826016580
                   +1 :              -0.00008603775618
                   +2 :               0.00010883296713
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00005001350351
                2s
                   +0 :               0.00005463933029
                3s
                   +0 :              -0.00023012774200
                2p
                   -1 :               0.00020102448860
                   +0 :              -0.00016319231305
                   +1 :               0.00083611887443
                3p
                   -1 :              -0.00021866028017
                   +0 :               0.00033510692919
                   +1 :              -0.00088245523603
                3d
                   -2 :               0.00007866424465
                   -1 :               0.00001176932659
                   +0 :              -0.00000800710109
                   +1 :               0.00011870793905
                   +2 :              -0.00002244078093
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002321316938
                2s
                   +0 :               0.00021302469508
                3s
                   +0 :              -0.00002186539859
                2p
                   -1 :               0.00004869703508
                   +0 :              -0.00011425369160
                   +1 :               0.00000131479945
                3p
                   -1 :              -0.00002163591270
                   +0 :               0.00003241838376
                   +1 :              -0.00014334141321
                3d
                   -2 :               0.00000423581717
                   -1 :               0.00000381066861
                   +0 :              -0.00001468313551
                   +1 :              -0.00000269976703
                   +2 :               0.00002806332718
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003178324421
                2s
                   +0 :               0.00020926649541
                3s
                   +0 :              -0.00006880758800
                2p
                   -1 :              -0.00003521518763
                   +0 :               0.00010440148101
                   +1 :               0.00002086955395
                3p
                   -1 :              -0.00002543516547
                   +0 :              -0.00011478234626
                   +1 :              -0.00004035515016
                3d
                   -2 :               0.00000599810478
                   -1 :               0.00000916661447
                   +0 :              -0.00001105973877
                   +1 :               0.00000252973002
                   +2 :              -0.00000168409347
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001342361365
                2s
                   +0 :               0.00012734778276
                3s
                   +0 :              -0.00001464320249
                2p
                   -1 :              -0.00016935144577
                   +0 :               0.00002058570381
                   +1 :               0.00007012572430
                3p
                   -1 :               0.00023116426853
                   +0 :              -0.00003067053449
                   +1 :              -0.00009474975060
                3d
                   -2 :              -0.00001645266520
                   -1 :              -0.00000140051569
                   +0 :              -0.00001307862628
                   +1 :              -0.00001344955830
                   +2 :              -0.00000677027412
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003192061251
                2s
                   +0 :              -0.00020434863502
                3s
                   +0 :               0.00007265450443
                2p
                   -1 :               0.00003670813397
                   +0 :               0.00009977676985
                   +1 :               0.00001592403646
                3p
                   -1 :               0.00002316743466
                   +0 :              -0.00011146306319
                   +1 :              -0.00003746686653
                3d
                   -2 :               0.00000605928393
                   -1 :               0.00000896728582
                   +0 :               0.00001162619975
                   +1 :              -0.00000264443838
                   +2 :               0.00000210696927
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001381121092
                2s
                   +0 :              -0.00013160669619
                3s
                   +0 :               0.00001656003308
                2p
                   -1 :               0.00016615111085
                   +0 :               0.00002156972533
                   +1 :               0.00006858675638
                3p
                   -1 :              -0.00023403468402
                   +0 :              -0.00003108080816
                   +1 :              -0.00009491714421
                3d
                   -2 :              -0.00001639403332
                   -1 :              -0.00000089424380
                   +0 :               0.00001344946763
                   +1 :               0.00001342479384
                   +2 :               0.00000681297428
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002318505908
                2s
                   +0 :              -0.00020999451380
                3s
                   +0 :               0.00002286647787
                2p
                   -1 :              -0.00004588667453
                   +0 :              -0.00011366119892
                   +1 :              -0.00000213955497
                3p
                   -1 :               0.00001859556734
                   +0 :               0.00003163187925
                   +1 :              -0.00014572816530
                3d
                   -2 :               0.00000342888360
                   -1 :               0.00000402349351
                   +0 :               0.00001395522287
                   +1 :               0.00000259564357
                   +2 :              -0.00002904495425
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000118964169
                2s
                   +0 :               0.00002771010839
                3s
                   +0 :              -0.00000009117527
                2p
                   -1 :               0.00000946858444
                   +0 :              -0.00002225673843
                   +1 :               0.00000699759958
                3p
                   -1 :              -0.00001711725475
                   +0 :               0.00000776144250
                   +1 :              -0.00001743473414
                3d
                   -2 :               0.00000344551275
                   -1 :              -0.00000123150393
                   +0 :               0.00000070173314
                   +1 :               0.00000010089081
                   +2 :               0.00000240730765
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000189020769
                2s
                   +0 :               0.00000847164703
                3s
                   +0 :               0.00001025521074
                2p
                   -1 :              -0.00000476670196
                   +0 :              -0.00001412131087
                   +1 :              -0.00002598201388
                3p
                   -1 :               0.00001531034131
                   +0 :              -0.00000086103367
                   +1 :               0.00001109608318
                3d
                   -2 :              -0.00000292952459
                   -1 :               0.00000095015097
                   +0 :              -0.00000348968778
                   +1 :               0.00000244997838
                   +2 :               0.00000025511864
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000048682874
                2s
                   +0 :               0.00000544896270
                3s
                   +0 :              -0.00000072240570
                2p
                   -1 :              -0.00000023197695
                   +0 :               0.00004786827529
                   +1 :              -0.00002898138832
                3p
                   -1 :              -0.00000127002239
                   +0 :              -0.00004993007747
                   +1 :               0.00001665746403
                3d
                   -2 :              -0.00000109584282
                   -1 :               0.00000620228908
                   +0 :               0.00000011976793
                   +1 :              -0.00000014346273
                   +2 :               0.00000012666949
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000012137448
                2s
                   +0 :               0.00000021390272
                3s
                   +0 :              -0.00000089152241
                2p
                   -1 :              -0.00000173315859
                   +0 :               0.00000030623548
                   +1 :               0.00000221238085
                3p
                   -1 :              -0.00000011941583
                   +0 :              -0.00001092538060
                   +1 :              -0.00000557833576
                3d
                   -2 :              -0.00000420499606
                   -1 :              -0.00000031646181
                   +0 :              -0.00000008504567
                   +1 :              -0.00000011877742
                   +2 :               0.00000009557749
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000015400405
                2s
                   +0 :              -0.00001364503550
                3s
                   +0 :              -0.00000027965826
                2p
                   -1 :              -0.00000708133987
                   +0 :              -0.00002257673796
                   +1 :               0.00001101756355
                3p
                   -1 :               0.00001461566082
                   +0 :               0.00000723484242
                   +1 :              -0.00001656011616
                3d
                   -2 :               0.00000334275165
                   -1 :              -0.00000099084715
                   +0 :              -0.00000048589684
                   +1 :              -0.00000020375979
                   +2 :              -0.00000212468693
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000317353642
                2s
                   +0 :               0.00000472484186
                3s
                   +0 :              -0.00001287017673
                2p
                   -1 :               0.00000289533276
                   +0 :              -0.00000882457039
                   +1 :              -0.00002399502099
                3p
                   -1 :              -0.00001275206779
                   +0 :              -0.00000417740231
                   +1 :               0.00000952735927
                3d
                   -2 :              -0.00000283430474
                   -1 :               0.00000121508395
                   +0 :               0.00000336911449
                   +1 :              -0.00000251524542
                   +2 :              -0.00000030397575
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 19)  npairs=  14
              1 vec=    -0.209286     -3.115717     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00244918118837
                2s
                   +0 :              -0.05284172098728
                3s
                   +0 :               0.00372160748672
                2p
                   -1 :               0.02462796563268
                   +0 :               0.02514156983270
                   +1 :               0.00586172792027
                3p
                   -1 :              -0.00133609403688
                   +0 :              -0.00026613899389
                   +1 :              -0.00321591734947
                3d
                   -2 :              -0.00062764566328
                   -1 :              -0.00290931700721
                   +0 :              -0.00099100657388
                   +1 :              -0.00079989318788
                   +2 :               0.00120200675242
              2 vec=    -0.209286      5.868041     -4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00227457679780
                2s
                   +0 :              -0.01628314227671
                3s
                   +0 :               0.00760987559917
                2p
                   -1 :              -0.01521193753880
                   +0 :               0.00584111855627
                   +1 :               0.00127509362361
                3p
                   -1 :               0.01085246920372
                   +0 :              -0.00451125942828
                   +1 :              -0.00062290513907
                3d
                   -2 :              -0.00004969197249
                   -1 :              -0.00052049895527
                   +0 :              -0.00036024730495
                   +1 :               0.00002508519329
                   +2 :              -0.00075882277166
              3 vec=     7.570876      1.376162     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00009651849685
                2s
                   +0 :              -0.00088246912212
                3s
                   +0 :              -0.00005386101060
                2p
                   -1 :               0.00135166368562
                   +0 :              -0.00269414654146
                   +1 :              -0.00530014940798
                3p
                   -1 :              -0.00061523844835
                   +0 :               0.00052533620458
                   +1 :               0.00197274171401
                3d
                   -2 :               0.00000675662050
                   -1 :              -0.00004610328613
                   +0 :               0.00012612329716
                   +1 :              -0.00013678127405
                   +2 :              -0.00007663492836
              4 vec=    -7.989449      1.376162     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00015876654741
                2s
                   +0 :              -0.00108938994485
                3s
                   +0 :               0.00015216011323
                2p
                   -1 :               0.00112393034140
                   +0 :              -0.00189190640228
                   +1 :               0.00202198896093
                3p
                   -1 :              -0.00070781726911
                   +0 :               0.00052376891910
                   +1 :               0.00054729441412
                3d
                   -2 :               0.00008569984229
                   -1 :              -0.00001824390830
                   +0 :               0.00014644175104
                   +1 :               0.00003342944157
                   +2 :              -0.00019462782832
              5 vec=     7.570876     -7.607596     -4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00004722825529
                2s
                   +0 :              -0.00060750635192
                3s
                   +0 :               0.00019049790074
                2p
                   -1 :               0.00085388613366
                   +0 :              -0.00018820189163
                   +1 :               0.00009658515898
                3p
                   -1 :              -0.00067925033712
                   +0 :               0.00011408168546
                   +1 :              -0.00026842996140
                3d
                   -2 :              -0.00005274554860
                   -1 :               0.00003669967066
                   +0 :              -0.00004653458726
                   +1 :               0.00000407827432
                   +2 :              -0.00004840633877
              6 vec=    -7.989449     -7.607596     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00007472357897
                2s
                   +0 :              -0.00048056010194
                3s
                   +0 :               0.00025139715029
                2p
                   -1 :               0.00003042676555
                   +0 :              -0.00027811150420
                   +1 :               0.00095611754861
                3p
                   -1 :              -0.00011461264481
                   +0 :               0.00013640042326
                   +1 :              -0.00086922185201
                3d
                   -2 :               0.00006544336645
                   -1 :              -0.00000009733236
                   +0 :              -0.00003259424557
                   +1 :               0.00001060634525
                   +2 :              -0.00000750091180
              7 vec=    -0.209286    -12.099475     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00000626507089
                2s
                   +0 :              -0.00011343864038
                3s
                   +0 :              -0.00002542543115
                2p
                   -1 :              -0.00013448725405
                   +0 :               0.00030452431834
                   +1 :              -0.00008234640408
                3p
                   -1 :               0.00020568833426
                   +0 :              -0.00015521197888
                   +1 :               0.00000284704043
                3d
                   -2 :              -0.00001715860038
                   -1 :               0.00002355611191
                   +0 :               0.00000545591073
                   +1 :              -0.00002411229779
                   +2 :              -0.00002899236499
              8 vec=     7.570876     10.359920     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00001545507236
                2s
                   +0 :              -0.00034959411884
                3s
                   +0 :              -0.00005775563007
                2p
                   -1 :              -0.00007151142834
                   +0 :               0.00010448886497
                   +1 :              -0.00015202580811
                3p
                   -1 :              -0.00021132472857
                   +0 :              -0.00006852125945
                   +1 :              -0.00003949095648
                3d
                   -2 :              -0.00003835779662
                   -1 :              -0.00001800977270
                   +0 :               0.00002545656467
                   +1 :               0.00000175164680
                   +2 :               0.00002153651089
              9 vec=    -7.989449     10.359920     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00000081766058
                2s
                   +0 :              -0.00006603382747
                3s
                   +0 :              -0.00003494831275
                2p
                   -1 :               0.00003474879859
                   +0 :              -0.00015942315179
                   +1 :               0.00024399755671
                3p
                   -1 :              -0.00006290390054
                   +0 :               0.00011089992652
                   +1 :              -0.00014699195483
                3d
                   -2 :              -0.00001373047230
                   -1 :               0.00000679592496
                   +0 :               0.00000360762008
                   +1 :               0.00000283982740
                   +2 :              -0.00000991950699
             10 vec=    -0.209286     14.851799     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00003090029570
                2s
                   +0 :              -0.00019859700514
                3s
                   +0 :               0.00005004662014
                2p
                   -1 :              -0.00021368174450
                   +0 :               0.00009698491357
                   +1 :               0.00003783230113
                3p
                   -1 :               0.00009605978422
                   +0 :              -0.00009046105561
                   +1 :              -0.00001455425812
                3d
                   -2 :               0.00000744847461
                   -1 :              -0.00000692377799
                   +0 :               0.00001228711469
                   +1 :               0.00000768604750
                   +2 :               0.00001560059846
             11 vec=    15.351039     -3.115717     -4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000804166906
                2s
                   +0 :              -0.00005833616411
                3s
                   +0 :              -0.00000575286135
                2p
                   -1 :               0.00002915890467
                   +0 :              -0.00002819515228
                   +1 :              -0.00002913989615
                3p
                   -1 :               0.00001443388318
                   +0 :               0.00001351837591
                   +1 :              -0.00002171226167
                3d
                   -2 :               0.00000513193638
                   -1 :              -0.00000678423379
                   +0 :               0.00001151472728
                   +1 :               0.00000439825278
                   +2 :               0.00000707852029
             12 vec=   -15.769612     -3.115717     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00001933738470
                2s
                   +0 :               0.00012574327222
                3s
                   +0 :              -0.00005729704671
                2p
                   -1 :               0.00004544618202
                   +0 :               0.00002400594927
                   +1 :              -0.00011516856445
                3p
                   -1 :              -0.00002587967214
                   +0 :              -0.00004588996703
                   +1 :               0.00008939657918
                3d
                   -2 :              -0.00000031325064
                   -1 :               0.00000297789523
                   +0 :               0.00000616966751
                   +1 :               0.00000011610974
                   +2 :              -0.00000174314955
             13 vec=    15.351039      5.868041     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00000176390240
                2s
                   +0 :              -0.00001460023988
                3s
                   +0 :              -0.00000047088522
                2p
                   -1 :               0.00004758520869
                   +0 :              -0.00009299121475
                   +1 :              -0.00002232750845
                3p
                   -1 :              -0.00006112720581
                   +0 :               0.00006622820614
                   +1 :               0.00001614628189
                3d
                   -2 :              -0.00000266749884
                   -1 :               0.00000245981055
                   +0 :              -0.00000453678144
                   +1 :              -0.00000292849162
                   +2 :              -0.00000406700446
             14 vec=   -15.769612      5.868041     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000136760212
                2s
                   +0 :              -0.00000287400855
                3s
                   +0 :               0.00000243495002
                2p
                   -1 :              -0.00007067589322
                   +0 :               0.00004012175998
                   +1 :              -0.00001871586471
                3p
                   -1 :               0.00002568046777
                   +0 :              -0.00005928104116
                   +1 :               0.00000560080010
                3d
                   -2 :              -0.00000164075297
                   -1 :               0.00000010035543
                   +0 :               0.00000211464417
                   +1 :               0.00000037398797
                   +2 :               0.00000096758301
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 20)  npairs=  14
              1 vec=     2.802674      1.376162     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00233650748029
                2s
                   +0 :              -0.05997612802303
                3s
                   +0 :               0.00343995087896
                2p
                   -1 :              -0.01433225594070
                   +0 :               0.02378118945678
                   +1 :              -0.02130562748380
                3p
                   -1 :               0.00349731037368
                   +0 :               0.00296639323417
                   +1 :              -0.00306586743034
                3d
                   -2 :              -0.00089343836906
                   -1 :               0.00195541267136
                   +0 :              -0.00149642486144
                   +1 :               0.00252333335260
                   +2 :              -0.00059840106240
              2 vec=    -4.977489     -3.115717     -4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00008386126611
                2s
                   +0 :               0.00144181145145
                3s
                   +0 :              -0.00049035310949
                2p
                   -1 :              -0.00069790958605
                   +0 :               0.00157260949665
                   +1 :               0.00039343505606
                3p
                   -1 :               0.00111108697746
                   +0 :              -0.00122294489453
                   +1 :               0.00045731235203
                3d
                   -2 :               0.00008162177829
                   -1 :               0.00004871430688
                   +0 :               0.00032705409421
                   +1 :               0.00019109044544
                   +2 :               0.00006055615195
              3 vec=    -4.977489      5.868041     -4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00027213018727
                2s
                   +0 :               0.00281110537156
                3s
                   +0 :              -0.00098980013272
                2p
                   -1 :              -0.00071955928195
                   +0 :              -0.00339490401416
                   +1 :              -0.00254588295282
                3p
                   -1 :              -0.00020790457019
                   +0 :               0.00081223114566
                   +1 :               0.00130578431965
                3d
                   -2 :               0.00003709922489
                   -1 :              -0.00020450130222
                   +0 :               0.00010356296808
                   +1 :              -0.00007685024769
                   +2 :               0.00008563595393
              4 vec=     2.802674     -7.607596     -4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00012924720649
                2s
                   +0 :               0.00060571509003
                3s
                   +0 :              -0.00052749065911
                2p
                   -1 :               0.00266743347229
                   +0 :              -0.00108231172433
                   +1 :              -0.00042265647457
                3p
                   -1 :              -0.00182668100844
                   +0 :               0.00003902918575
                   +1 :              -0.00062411306023
                3d
                   -2 :               0.00011665778343
                   -1 :               0.00012652797435
                   +0 :              -0.00001295915994
                   +1 :              -0.00005411555459
                   +2 :              -0.00011359529018
              5 vec=     2.802674     10.359920     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00025010657395
                2s
                   +0 :               0.00136186999267
                3s
                   +0 :              -0.00081433513602
                2p
                   -1 :               0.00075415356674
                   +0 :               0.00054140059226
                   +1 :               0.00094947380396
                3p
                   -1 :              -0.00078951888294
                   +0 :              -0.00052647913454
                   +1 :              -0.00085439876289
                3d
                   -2 :              -0.00007560662070
                   -1 :              -0.00002270278858
                   +0 :               0.00004646479697
                   +1 :              -0.00001673942980
                   +2 :              -0.00000350756838
              6 vec=    10.582837     -3.115717     -4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00002249392430
                2s
                   +0 :              -0.00005258218237
                3s
                   +0 :              -0.00013852647099
                2p
                   -1 :               0.00009270461176
                   +0 :              -0.00013647690035
                   +1 :              -0.00024648997370
                3p
                   -1 :               0.00006926761749
                   +0 :               0.00006366900919
                   +1 :               0.00004604259602
                3d
                   -2 :               0.00000622305026
                   -1 :              -0.00000239097890
                   +0 :               0.00001947156361
                   +1 :              -0.00000434195955
                   +2 :              -0.00000814476900
              7 vec=    10.582837      5.868041     -4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00001518143482
                2s
                   +0 :              -0.00005731966676
                3s
                   +0 :              -0.00012729434862
                2p
                   -1 :              -0.00009947313376
                   +0 :              -0.00004672267684
                   +1 :               0.00038789417610
                3p
                   -1 :              -0.00005189112759
                   +0 :               0.00016966356636
                   +1 :              -0.00031763298972
                3d
                   -2 :               0.00000309522656
                   -1 :               0.00003416007245
                   +0 :               0.00004106448192
                   +1 :              -0.00000555870703
                   +2 :              -0.00000422684278
              8 vec=   -12.757651      1.376162     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00006998470270
                2s
                   +0 :              -0.00079753335721
                3s
                   +0 :               0.00017569006650
                2p
                   -1 :               0.00009744631177
                   +0 :              -0.00015902662389
                   +1 :               0.00082250545479
                3p
                   -1 :              -0.00006835926139
                   +0 :               0.00010786905064
                   +1 :              -0.00026881970702
                3d
                   -2 :               0.00002739799984
                   -1 :              -0.00001504312605
                   +0 :               0.00001847223951
                   +1 :              -0.00001673928854
                   +2 :              -0.00002197798929
              9 vec=    -4.977489    -12.099475     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00002218602957
                2s
                   +0 :              -0.00013134057390
                3s
                   +0 :              -0.00014408839843
                2p
                   -1 :               0.00041224763526
                   +0 :               0.00005204502944
                   +1 :               0.00027540263279
                3p
                   -1 :              -0.00010158925823
                   +0 :              -0.00007742743702
                   +1 :              -0.00005378100191
                3d
                   -2 :              -0.00001724108758
                   -1 :               0.00003082800561
                   +0 :               0.00000943216835
                   +1 :               0.00000087069770
                   +2 :               0.00001151044797
             10 vec=   -12.757651     -7.607596     -4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00004707223144
                2s
                   +0 :               0.00027419622638
                3s
                   +0 :              -0.00013509816748
                2p
                   -1 :              -0.00004053737954
                   +0 :              -0.00001576747867
                   +1 :              -0.00015096054841
                3p
                   -1 :               0.00003281355364
                   +0 :              -0.00000023337884
                   +1 :               0.00014339973488
                3d
                   -2 :              -0.00000554556131
                   -1 :               0.00000039514578
                   +0 :              -0.00000143032539
                   +1 :              -0.00000332682050
                   +2 :              -0.00000838812395
             11 vec=    -4.977489     14.851799     -4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000632800065
                2s
                   +0 :               0.00002832508275
                3s
                   +0 :              -0.00005988446509
                2p
                   -1 :               0.00014724490487
                   +0 :              -0.00003839475228
                   +1 :              -0.00016327601259
                3p
                   -1 :              -0.00018947280131
                   +0 :               0.00002013631530
                   +1 :               0.00019140377185
                3d
                   -2 :               0.00002726393861
                   -1 :               0.00000382010204
                   +0 :               0.00000680094179
                   +1 :              -0.00000430365044
                   +2 :               0.00000680226548
             12 vec=    10.582837    -12.099475     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00000228049337
                2s
                   +0 :               0.00000245524826
                3s
                   +0 :              -0.00001574546542
                2p
                   -1 :              -0.00001259323398
                   +0 :              -0.00005546424240
                   +1 :               0.00014935915560
                3p
                   -1 :               0.00004515055694
                   +0 :               0.00002524124535
                   +1 :              -0.00015215191103
                3d
                   -2 :               0.00000903798464
                   -1 :              -0.00000236805281
                   +0 :               0.00000966623058
                   +1 :              -0.00000241483531
                   +2 :               0.00000052137458
             13 vec=   -12.757651     10.359920     -4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00000852861713
                2s
                   +0 :              -0.00005699032726
                3s
                   +0 :               0.00002938043260
                2p
                   -1 :               0.00002088345662
                   +0 :               0.00004550177322
                   +1 :               0.00004994060065
                3p
                   -1 :              -0.00003809582126
                   +0 :              -0.00005084186946
                   +1 :              -0.00001709069381
                3d
                   -2 :              -0.00000201779705
                   -1 :               0.00000012378459
                   +0 :               0.00000549679137
                   +1 :               0.00000833166553
                   +2 :               0.00000590781357
             14 vec=     2.802674    -16.591354     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000129094921
                2s
                   +0 :              -0.00000444144324
                3s
                   +0 :              -0.00001422266395
                2p
                   -1 :               0.00004011063789
                   +0 :              -0.00005813393624
                   +1 :               0.00006231619251
                3p
                   -1 :              -0.00000510794137
                   +0 :               0.00003155077824
                   +1 :              -0.00005269724557
                3d
                   -2 :              -0.00000098396995
                   -1 :               0.00000173984756
                   +0 :              -0.00000282886016
                   +1 :               0.00000091389944
                   +2 :               0.00000441513641
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 21)  npairs=  14
              1 vec=    -2.593388      1.013667     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00268177325924
                2s
                   +0 :              -0.08156341793291
                3s
                   +0 :               0.00484053657862
                2p
                   -1 :              -0.01179629316175
                   +0 :               0.04387339063892
                   +1 :               0.03510879692603
                3p
                   -1 :               0.00201110203540
                   +0 :              -0.00606413634787
                   +1 :              -0.00421049290159
                3d
                   -2 :               0.00131563646998
                   -1 :               0.00054901753512
                   +0 :              -0.00098291213292
                   +1 :              -0.00156281191320
                   +2 :              -0.00173131638256
              2 vec=     5.186775     -3.478212     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00041865920403
                2s
                   +0 :              -0.00313763023582
                3s
                   +0 :               0.00148313470154
                2p
                   -1 :              -0.00002503970959
                   +0 :               0.00189827324031
                   +1 :              -0.00373485588275
                3p
                   -1 :               0.00075305695886
                   +0 :              -0.00076287263030
                   +1 :               0.00220055669431
                3d
                   -2 :              -0.00021396017722
                   -1 :              -0.00001323235738
                   +0 :              -0.00039326073375
                   +1 :              -0.00012959633556
                   +2 :               0.00006691561138
              3 vec=     5.186775      5.505546     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00025650852766
                2s
                   +0 :              -0.00118676370308
                3s
                   +0 :               0.00086882403733
                2p
                   -1 :              -0.00301499626967
                   +0 :              -0.00356719724716
                   +1 :              -0.00113628377432
                3p
                   -1 :               0.00090589103297
                   +0 :               0.00061186286490
                   +1 :               0.00180254905601
                3d
                   -2 :               0.00003671066966
                   -1 :              -0.00018177398596
                   +0 :               0.00001223254560
                   +1 :              -0.00020954133499
                   +2 :               0.00019624457671
              4 vec=    -2.593388     -7.970091     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00024982936468
                2s
                   +0 :              -0.00176845885098
                3s
                   +0 :               0.00058408027697
                2p
                   -1 :               0.00239255441559
                   +0 :               0.00038272653020
                   +1 :               0.00103974636098
                3p
                   -1 :              -0.00099648271868
                   +0 :              -0.00122249122402
                   +1 :               0.00009760892860
                3d
                   -2 :              -0.00006666778624
                   -1 :               0.00015357651588
                   +0 :               0.00001805879857
                   +1 :               0.00005812561294
                   +2 :               0.00000466754786
              5 vec=    -2.593388      9.997425     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00018244109831
                2s
                   +0 :               0.00079560267738
                3s
                   +0 :              -0.00041988214669
                2p
                   -1 :              -0.00068627817709
                   +0 :               0.00094110623529
                   +1 :               0.00112380951086
                3p
                   -1 :               0.00050644320408
                   +0 :              -0.00101643315339
                   +1 :              -0.00091950146508
                3d
                   -2 :              -0.00010906836433
                   -1 :              -0.00002963615368
                   +0 :              -0.00007990586745
                   +1 :               0.00004465284310
                   +2 :              -0.00006614185805
              6 vec=   -10.373550     -3.478212     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00003854045338
                2s
                   +0 :              -0.00020067827285
                3s
                   +0 :               0.00003905378908
                2p
                   -1 :               0.00051006394975
                   +0 :               0.00010104754432
                   +1 :               0.00029727517245
                3p
                   -1 :              -0.00044668751142
                   +0 :              -0.00017249685737
                   +1 :              -0.00036900470109
                3d
                   -2 :               0.00000173173879
                   -1 :              -0.00001493083763
                   +0 :               0.00000509014113
                   +1 :              -0.00003405732347
                   +2 :               0.00002080331590
              7 vec=   -10.373550      5.505546     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001382945031
                2s
                   +0 :              -0.00025077146879
                3s
                   +0 :               0.00003629119638
                2p
                   -1 :              -0.00054493195578
                   +0 :               0.00009039724491
                   +1 :              -0.00005001225114
                3p
                   -1 :               0.00028481456331
                   +0 :               0.00003649767200
                   +1 :              -0.00005172226058
                3d
                   -2 :               0.00000313392221
                   -1 :              -0.00000492194070
                   +0 :              -0.00002094425786
                   +1 :               0.00001625886706
                   +2 :               0.00001184165815
              8 vec=    12.966938      1.013667     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00000454604738
                2s
                   +0 :              -0.00026505912955
                3s
                   +0 :              -0.00018337010233
                2p
                   -1 :               0.00029511380884
                   +0 :               0.00004181219298
                   +1 :              -0.00015118171337
                3p
                   -1 :              -0.00021472220879
                   +0 :               0.00007207887849
                   +1 :              -0.00037456902671
                3d
                   -2 :              -0.00001140212119
                   -1 :               0.00000748110091
                   +0 :               0.00001117627027
                   +1 :               0.00002868765331
                   +2 :              -0.00005755387792
              9 vec=     5.186775    -12.461970     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00000301177885
                2s
                   +0 :              -0.00008398223605
                3s
                   +0 :              -0.00006699684424
                2p
                   -1 :              -0.00007109325385
                   +0 :              -0.00004531136039
                   +1 :              -0.00009631890872
                3p
                   -1 :               0.00022230259233
                   +0 :               0.00003624375839
                   +1 :              -0.00000604266731
                3d
                   -2 :               0.00001492672485
                   -1 :              -0.00000173287565
                   +0 :               0.00002840264293
                   +1 :               0.00001834771866
                   +2 :               0.00001868406842
             10 vec=    12.966938     -7.970091     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000543960836
                2s
                   +0 :              -0.00002482443337
                3s
                   +0 :              -0.00001292051650
                2p
                   -1 :              -0.00005020834667
                   +0 :               0.00002203327034
                   +1 :              -0.00006015385786
                3p
                   -1 :               0.00009791696005
                   +0 :              -0.00001640783431
                   +1 :               0.00000246833249
                3d
                   -2 :               0.00000124420970
                   -1 :               0.00000282484994
                   +0 :              -0.00000238169194
                   +1 :              -0.00000200560984
                   +2 :               0.00000512268248
             11 vec=     5.186775     14.489304     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00006006770779
                2s
                   +0 :              -0.00038097062708
                3s
                   +0 :               0.00016526362761
                2p
                   -1 :              -0.00012003313003
                   +0 :               0.00016549494501
                   +1 :              -0.00003433512591
                3p
                   -1 :               0.00004300194725
                   +0 :              -0.00016425848974
                   +1 :               0.00002485391315
                3d
                   -2 :               0.00000757500524
                   -1 :              -0.00002325823445
                   +0 :               0.00001057283032
                   +1 :              -0.00001169802353
                   +2 :               0.00000030713200
             12 vec=   -10.373550    -12.461970     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00002439986614
                2s
                   +0 :               0.00015695944071
                3s
                   +0 :              -0.00008331917073
                2p
                   -1 :              -0.00004561790361
                   +0 :              -0.00006653599956
                   +1 :               0.00000460216497
                3p
                   -1 :               0.00002254704934
                   +0 :               0.00003907798033
                   +1 :               0.00001515337887
                3d
                   -2 :              -0.00000020670932
                   -1 :               0.00000070864471
                   +0 :               0.00000177302376
                   +1 :              -0.00000284766140
                   +2 :               0.00000373395626
             13 vec=    12.966938      9.997425     -4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00001031006825
                2s
                   +0 :              -0.00008466001287
                3s
                   +0 :               0.00002081391903
                2p
                   -1 :              -0.00005411207365
                   +0 :              -0.00007024442117
                   +1 :               0.00000556670951
                3p
                   -1 :               0.00002704101882
                   +0 :               0.00005042697864
                   +1 :              -0.00004193634186
                3d
                   -2 :              -0.00000775673674
                   -1 :               0.00000888266363
                   +0 :              -0.00000002315382
                   +1 :               0.00000429559058
                   +2 :              -0.00000602879113
             14 vec=    -2.593388    -16.953849     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000359541195
                2s
                   +0 :              -0.00003335790839
                3s
                   +0 :               0.00000663396970
                2p
                   -1 :               0.00002388253480
                   +0 :              -0.00001684087264
                   +1 :              -0.00004162757720
                3p
                   -1 :              -0.00000455181997
                   +0 :               0.00000801480298
                   +1 :               0.00002057661107
                3d
                   -2 :               0.00000556215169
                   -1 :               0.00000036444589
                   +0 :              -0.00000000876892
                   +1 :              -0.00000003832517
                   +2 :              -0.00000062279264
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 22)  npairs=  15
              1 vec=    -4.976970     -0.363094      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00021062198509
                2s
                   +0 :               0.00229380619139
                3s
                   +0 :              -0.00001349672676
                2p
                   -1 :              -0.00493069747309
                   +0 :               0.00416848628996
                   +1 :              -0.00153746426603
                3p
                   -1 :               0.00164174821832
                   +0 :              -0.00053811692228
                   +1 :              -0.00041902130698
                3d
                   -2 :               0.00001724365821
                   -1 :               0.00001235819836
                   +0 :               0.00002531795545
                   +1 :              -0.00007932467892
                   +2 :              -0.00006928714644
              2 vec=     2.803193      4.128785      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00024861248142
                2s
                   +0 :               0.00181277970940
                3s
                   +0 :              -0.00012496428479
                2p
                   -1 :               0.00113444890111
                   +0 :               0.00341748362406
                   +1 :              -0.00018423182533
                3p
                   -1 :               0.00124320174067
                   +0 :              -0.00053669074070
                   +1 :              -0.00044074518425
                3d
                   -2 :              -0.00000228822882
                   -1 :               0.00031072287259
                   +0 :               0.00011512484368
                   +1 :              -0.00013097935277
                   +2 :              -0.00014511192849
              3 vec=     2.803193     -4.854973      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00023523354655
                2s
                   +0 :               0.00237655721041
                3s
                   +0 :               0.00013010953068
                2p
                   -1 :              -0.00096912096785
                   +0 :               0.00110227150352
                   +1 :               0.00209516880546
                3p
                   -1 :              -0.00002469456950
                   +0 :               0.00113091767419
                   +1 :              -0.00002421723814
                3d
                   -2 :              -0.00001201700009
                   -1 :               0.00006625767061
                   +0 :               0.00010287694100
                   +1 :               0.00019259307772
                   +2 :               0.00008741924787
              4 vec=    -4.976970      8.620664      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00010059674040
                2s
                   +0 :               0.00092046109078
                3s
                   +0 :              -0.00041590664846
                2p
                   -1 :               0.00049364301527
                   +0 :              -0.00015828629772
                   +1 :              -0.00033991547730
                3p
                   -1 :              -0.00046218903976
                   +0 :              -0.00005353875316
                   +1 :               0.00001418687691
                3d
                   -2 :               0.00000209286662
                   -1 :              -0.00006790772715
                   +0 :               0.00000096840331
                   +1 :               0.00001338041820
                   +2 :               0.00003894697877
              5 vec=    -4.976970     -9.346852      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00001547783766
                2s
                   +0 :               0.00024223160000
                3s
                   +0 :              -0.00004236803747
                2p
                   -1 :              -0.00015589473160
                   +0 :              -0.00030268127674
                   +1 :               0.00018439345245
                3p
                   -1 :               0.00004803223915
                   +0 :               0.00025948238987
                   +1 :              -0.00012302510474
                3d
                   -2 :              -0.00001835856761
                   -1 :               0.00000170865846
                   +0 :               0.00004728624716
                   +1 :               0.00000301747103
                   +2 :               0.00001971131200
              6 vec=    10.583355     -0.363094      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00004406453772
                2s
                   +0 :               0.00049923497634
                3s
                   +0 :              -0.00004398811243
                2p
                   -1 :              -0.00003506441104
                   +0 :               0.00020116571250
                   +1 :               0.00013372656369
                3p
                   -1 :               0.00001806661829
                   +0 :              -0.00014111258094
                   +1 :               0.00020372542612
                3d
                   -2 :               0.00001686500350
                   -1 :               0.00003736451512
                   +0 :              -0.00001493496925
                   +1 :              -0.00002413443066
                   +2 :               0.00004825827414
              7 vec=   -12.757133      4.128785      8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00001322044237
                2s
                   +0 :               0.00012981645593
                3s
                   +0 :              -0.00001742842459
                2p
                   -1 :               0.00001213505974
                   +0 :               0.00014252039411
                   +1 :              -0.00026139291668
                3p
                   -1 :              -0.00000541336074
                   +0 :              -0.00008994129244
                   +1 :               0.00012514830759
                3d
                   -2 :               0.00000616742278
                   -1 :               0.00000314220491
                   +0 :              -0.00000939959642
                   +1 :               0.00000535453872
                   +2 :              -0.00000650664832
              8 vec=     2.803193     13.112543      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00003004853336
                2s
                   +0 :              -0.00015884170133
                3s
                   +0 :               0.00012862458616
                2p
                   -1 :              -0.00022359020688
                   +0 :              -0.00003745646094
                   +1 :               0.00015036946525
                3p
                   -1 :               0.00024187531320
                   +0 :               0.00004930793858
                   +1 :              -0.00006167155202
                3d
                   -2 :               0.00000210989809
                   -1 :               0.00001403964061
                   +0 :               0.00001345230331
                   +1 :               0.00000348655725
                   +2 :               0.00000177646708
              9 vec=   -12.757133     -4.854973      8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00003238600396
                2s
                   +0 :              -0.00017673948102
                3s
                   +0 :               0.00011994929904
                2p
                   -1 :               0.00002056490267
                   +0 :               0.00012341923765
                   +1 :               0.00000726932206
                3p
                   -1 :               0.00001982569032
                   +0 :              -0.00005946114207
                   +1 :              -0.00005943919078
                3d
                   -2 :              -0.00000837882203
                   -1 :               0.00000091492764
                   +0 :               0.00000423065017
                   +1 :               0.00000958783146
                   +2 :               0.00000395645769
             10 vec=    10.583355      8.620664      8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00000402591474
                2s
                   +0 :               0.00005502490886
                3s
                   +0 :              -0.00000923840499
                2p
                   -1 :               0.00002928684220
                   +0 :              -0.00000293071812
                   +1 :               0.00001610237672
                3p
                   -1 :              -0.00000267277432
                   +0 :              -0.00001160011655
                   +1 :              -0.00000431714522
                3d
                   -2 :               0.00000057190735
                   -1 :              -0.00000169284635
                   +0 :               0.00000184058518
                   +1 :               0.00000131702198
                   +2 :               0.00000123850934
             11 vec=     2.803193    -13.838731      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00002126999233
                2s
                   +0 :               0.00014687490871
                3s
                   +0 :              -0.00003449181366
                2p
                   -1 :              -0.00016302937752
                   +0 :              -0.00002097370520
                   +1 :               0.00001184328381
                3p
                   -1 :               0.00009449018538
                   +0 :               0.00002876500711
                   +1 :               0.00000176550583
                3d
                   -2 :              -0.00000229257941
                   -1 :              -0.00000363886723
                   +0 :               0.00000360145484
                   +1 :              -0.00000298045595
                   +2 :               0.00000216915038
             12 vec=    10.583355     -9.346852      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000657659930
                2s
                   +0 :               0.00011034039048
                3s
                   +0 :               0.00001600029117
                2p
                   -1 :              -0.00008389210800
                   +0 :              -0.00007535179000
                   +1 :               0.00005538308357
                3p
                   -1 :              -0.00002507648664
                   +0 :               0.00007238936733
                   +1 :               0.00002825992709
                3d
                   -2 :              -0.00000350269673
                   -1 :              -0.00000665830248
                   +0 :               0.00000307017477
                   +1 :              -0.00000133940308
                   +2 :              -0.00000275268349
             13 vec=    -4.976970     -0.363094    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00002209753605
                2s
                   +0 :              -0.00020091315870
                3s
                   +0 :               0.00003962484820
                2p
                   -1 :              -0.00009771796551
                   +0 :               0.00015303751436
                   +1 :              -0.00003939897174
                3p
                   -1 :               0.00004478901759
                   +0 :              -0.00006592714683
                   +1 :              -0.00002187700475
                3d
                   -2 :              -0.00000348952968
                   -1 :              -0.00000012463926
                   +0 :               0.00000532445296
                   +1 :               0.00000681283126
                   +2 :               0.00000009159608
             14 vec=     2.803193      4.128785    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00001935359782
                2s
                   +0 :              -0.00014847998066
                3s
                   +0 :               0.00003882679174
                2p
                   -1 :              -0.00007929686751
                   +0 :               0.00012464688720
                   +1 :               0.00002562139425
                3p
                   -1 :               0.00005520821405
                   +0 :              -0.00005053657422
                   +1 :              -0.00005436058524
                3d
                   -2 :              -0.00000672693944
                   -1 :              -0.00000366330577
                   +0 :               0.00000204565658
                   +1 :               0.00000766539686
                   +2 :              -0.00000289034682
             15 vec=     2.803193     -4.854973    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000608320854
                2s
                   +0 :              -0.00009307089110
                3s
                   +0 :              -0.00001601271451
                2p
                   -1 :              -0.00000852908623
                   +0 :               0.00017896093829
                   +1 :               0.00006119585415
                3p
                   -1 :               0.00003156073542
                   +0 :              -0.00003451110507
                   +1 :               0.00001714112675
                3d
                   -2 :              -0.00000590095103
                   -1 :              -0.00000732318421
                   +0 :              -0.00000117218840
                   +1 :              -0.00000578713478
                   +2 :              -0.00000054348660
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805     -0.363094      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00030896501198
                2s
                   +0 :              -0.00019083649459
                3s
                   +0 :              -0.00131146454866
                2p
                   -1 :               0.00081076312917
                   +0 :               0.00363723350062
                   +1 :              -0.00222281038625
                3p
                   -1 :              -0.00023636219062
                   +0 :              -0.00348102364820
                   +1 :               0.00121892050921
                3d
                   -2 :               0.00012291142375
                   -1 :               0.00001833620947
                   +0 :              -0.00073291802241
                   +1 :              -0.00013056999494
                   +2 :               0.00007187494032
              2 vec=     7.570358      4.128785      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00003490568602
                2s
                   +0 :              -0.00007161017593
                3s
                   +0 :               0.00011375888532
                2p
                   -1 :               0.00058339815455
                   +0 :               0.00040549626486
                   +1 :               0.00031719163706
                3p
                   -1 :              -0.00037529383815
                   +0 :              -0.00035946525406
                   +1 :              -0.00011001043523
                3d
                   -2 :              -0.00004026910165
                   -1 :              -0.00003554780996
                   +0 :              -0.00005153729624
                   +1 :               0.00000413662328
                   +2 :               0.00000887047138
              3 vec=    -0.209805      8.620664      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00027133452984
                2s
                   +0 :              -0.00136256888467
                3s
                   +0 :               0.00092049931841
                2p
                   -1 :               0.00156130040634
                   +0 :              -0.00114599265064
                   +1 :               0.00063295125044
                3p
                   -1 :              -0.00083073526184
                   +0 :               0.00090961224480
                   +1 :              -0.00052047258007
                3d
                   -2 :               0.00002292151431
                   -1 :               0.00000447825685
                   +0 :               0.00004863965189
                   +1 :               0.00002462445329
                   +2 :               0.00003205866785
              4 vec=     7.570358     -4.854973      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00001713455932
                2s
                   +0 :               0.00059326141708
                3s
                   +0 :               0.00007433080632
                2p
                   -1 :              -0.00020793428180
                   +0 :              -0.00052056036593
                   +1 :               0.00022300705549
                3p
                   -1 :              -0.00006039186294
                   +0 :               0.00021472992985
                   +1 :               0.00024703019684
                3d
                   -2 :              -0.00003869210197
                   -1 :               0.00000018536571
                   +0 :              -0.00005394938099
                   +1 :               0.00000792367651
                   +2 :              -0.00000521173490
              5 vec=    -7.989968      4.128785      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00007690689265
                2s
                   +0 :               0.00057120802363
                3s
                   +0 :              -0.00031836209096
                2p
                   -1 :               0.00026544629229
                   +0 :              -0.00013965000246
                   +1 :              -0.00094929251791
                3p
                   -1 :              -0.00001231541292
                   +0 :               0.00001308844817
                   +1 :               0.00047563775731
                3d
                   -2 :               0.00003887140336
                   -1 :              -0.00000331467922
                   +0 :               0.00002854907362
                   +1 :               0.00002267887038
                   +2 :              -0.00000629851723
              6 vec=    -0.209805     -9.346852      8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00000546775445
                2s
                   +0 :               0.00010163096250
                3s
                   +0 :               0.00008027347271
                2p
                   -1 :              -0.00041750164649
                   +0 :              -0.00063962346783
                   +1 :               0.00028877616243
                3p
                   -1 :               0.00005982095751
                   +0 :               0.00055371426953
                   +1 :              -0.00026288179618
                3d
                   -2 :              -0.00000799528305
                   -1 :              -0.00001217919859
                   +0 :               0.00005031352977
                   +1 :               0.00002563102514
                   +2 :               0.00002733407658
              7 vec=    -7.989968     -4.854973      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00006190453808
                2s
                   +0 :               0.00086771070822
                3s
                   +0 :              -0.00018632928815
                2p
                   -1 :              -0.00068478719198
                   +0 :               0.00042585218116
                   +1 :              -0.00089513149518
                3p
                   -1 :               0.00034089779195
                   +0 :              -0.00042614672346
                   +1 :               0.00048257958859
                3d
                   -2 :               0.00002562433673
                   -1 :              -0.00000707224362
                   +0 :              -0.00000007977075
                   +1 :               0.00001163365371
                   +2 :              -0.00002885813367
              8 vec=    -0.209805     -0.363094    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00000056112440
                2s
                   +0 :               0.00000736557951
                3s
                   +0 :              -0.00002542234586
                2p
                   -1 :              -0.00001102179279
                   +0 :              -0.00010736723513
                   +1 :               0.00001125217040
                3p
                   -1 :               0.00001956393895
                   +0 :               0.00011087111387
                   +1 :              -0.00002557744220
                3d
                   -2 :               0.00000239910488
                   -1 :              -0.00000120347990
                   +0 :              -0.00001633906198
                   +1 :               0.00000433447798
                   +2 :              -0.00000162917925
              9 vec=     7.570358     13.112543      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00000506171259
                2s
                   +0 :              -0.00003870909250
                3s
                   +0 :               0.00004529643547
                2p
                   -1 :               0.00006482546950
                   +0 :               0.00006768846921
                   +1 :              -0.00001556938112
                3p
                   -1 :              -0.00001199436420
                   +0 :              -0.00003780043004
                   +1 :               0.00004635313454
                3d
                   -2 :               0.00000516207531
                   -1 :              -0.00000502251427
                   +0 :              -0.00000795842912
                   +1 :               0.00000063713986
                   +2 :               0.00000565852908
             10 vec=    15.350520     -0.363094      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00003437279693
                2s
                   +0 :               0.00030694185455
                3s
                   +0 :              -0.00006570178313
                2p
                   -1 :               0.00007278999068
                   +0 :               0.00003432462400
                   +1 :               0.00023135830865
                3p
                   -1 :              -0.00007045957068
                   +0 :               0.00001317303649
                   +1 :              -0.00006841998020
                3d
                   -2 :              -0.00000689227150
                   -1 :              -0.00000099210919
                   +0 :              -0.00000332515166
                   +1 :               0.00000368947114
                   +2 :               0.00000400218502
             11 vec=    -7.989968     13.112543      8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00000010325409
                2s
                   +0 :               0.00002208559594
                3s
                   +0 :               0.00001660389690
                2p
                   -1 :               0.00007570862513
                   +0 :               0.00006736356497
                   +1 :               0.00007127202938
                3p
                   -1 :               0.00000283244252
                   +0 :              -0.00001120061658
                   +1 :              -0.00007895468195
                3d
                   -2 :              -0.00000320774448
                   -1 :               0.00000279054091
                   +0 :              -0.00000542571048
                   +1 :              -0.00000315192198
                   +2 :               0.00000033121236
             12 vec=     7.570358    -13.838731      8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000399662770
                2s
                   +0 :               0.00005581449272
                3s
                   +0 :               0.00001319930026
                2p
                   -1 :              -0.00003007107396
                   +0 :               0.00000622523150
                   +1 :               0.00001276978125
                3p
                   -1 :              -0.00000969031060
                   +0 :               0.00002514014000
                   +1 :               0.00001664093174
                3d
                   -2 :              -0.00000330466177
                   -1 :              -0.00000163150701
                   +0 :               0.00000184878399
                   +1 :               0.00000757039046
                   +2 :               0.00000057658797
             13 vec=   -15.770130     -0.363094      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00002567819720
                2s
                   +0 :               0.00021298456173
                3s
                   +0 :              -0.00004103565884
                2p
                   -1 :               0.00000797684046
                   +0 :               0.00006512053198
                   +1 :              -0.00010493069055
                3p
                   -1 :              -0.00003849034772
                   +0 :              -0.00001220051729
                   +1 :               0.00000942277150
                3d
                   -2 :              -0.00000061395015
                   -1 :              -0.00000353516918
                   +0 :              -0.00000013537360
                   +1 :               0.00000197983413
                   +2 :               0.00000028554815
             14 vec=    -7.989968    -13.838731      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000260782220
                2s
                   +0 :               0.00003280730008
                3s
                   +0 :              -0.00000046343315
                2p
                   -1 :              -0.00002591738245
                   +0 :               0.00000825693108
                   +1 :              -0.00002123891848
                3p
                   -1 :               0.00001019029763
                   +0 :              -0.00000284665891
                   +1 :               0.00000298270492
                3d
                   -2 :               0.00000112387394
                   -1 :              -0.00000176725463
                   +0 :              -0.00000354165581
                   +1 :               0.00000230904390
                   +2 :               0.00000203225727
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 24)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00009264272827
                2s
                   +0 :               0.00095239849026
                3s
                   +0 :               0.00038373550201
                2p
                   -1 :               0.00119881129071
                   +0 :               0.00045376248194
                   +1 :              -0.00074914476518
                3p
                   -1 :              -0.00121630275601
                   +0 :               0.00095887103395
                   +1 :              -0.00089607423773
                3d
                   -2 :               0.00001597155397
                   -1 :              -0.00009598497729
                   +0 :               0.00004233110720
                   +1 :              -0.00021784344394
                   +2 :               0.00005736716684
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00044233600885
                2s
                   +0 :               0.00394026043943
                3s
                   +0 :              -0.00064932214635
                2p
                   -1 :              -0.00350631470451
                   +0 :               0.00808685662314
                   +1 :               0.00459306003434
                3p
                   -1 :               0.00093369338683
                   +0 :              -0.00147968471677
                   +1 :              -0.00083287081176
                3d
                   -2 :              -0.00013887083162
                   -1 :              -0.00008260292644
                   +0 :               0.00018839550164
                   +1 :               0.00020362092552
                   +2 :               0.00001736130732
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00029258641646
                2s
                   +0 :               0.00286180583876
                3s
                   +0 :              -0.00045479692941
                2p
                   -1 :               0.00223567035462
                   +0 :               0.00217994435583
                   +1 :               0.00131216225747
                3p
                   -1 :               0.00010039371353
                   +0 :              -0.00030979068904
                   +1 :              -0.00017123001483
                3d
                   -2 :               0.00005155984504
                   -1 :               0.00016730922553
                   +0 :              -0.00000728982577
                   +1 :               0.00006744047052
                   +2 :              -0.00005225012707
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001918794777
                2s
                   +0 :               0.00045118958269
                3s
                   +0 :              -0.00006760128770
                2p
                   -1 :              -0.00032728947692
                   +0 :              -0.00045265688644
                   +1 :              -0.00017839219589
                3p
                   -1 :               0.00002832259219
                   +0 :               0.00020529432739
                   +1 :               0.00016574584186
                3d
                   -2 :              -0.00001083186017
                   -1 :               0.00001698281626
                   +0 :              -0.00002486966612
                   +1 :               0.00001171656642
                   +2 :              -0.00001102030938
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00002673200259
                2s
                   +0 :              -0.00003955206803
                3s
                   +0 :               0.00014492691357
                2p
                   -1 :              -0.00000234965902
                   +0 :              -0.00014368962330
                   +1 :              -0.00007668677795
                3p
                   -1 :               0.00000446041802
                   +0 :               0.00023737147549
                   +1 :              -0.00002943818140
                3d
                   -2 :              -0.00000561866281
                   -1 :              -0.00001804309059
                   +0 :               0.00002178155048
                   +1 :               0.00000823185431
                   +2 :               0.00001586768385
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001410086423
                2s
                   +0 :               0.00007377075623
                3s
                   +0 :               0.00000454907248
                2p
                   -1 :               0.00062035654965
                   +0 :              -0.00040516712370
                   +1 :              -0.00022303201252
                3p
                   -1 :              -0.00053346421006
                   +0 :               0.00019162063775
                   +1 :               0.00036352332905
                3d
                   -2 :              -0.00000826835204
                   -1 :              -0.00002537892522
                   +0 :               0.00003531944701
                   +1 :              -0.00000582851942
                   +2 :               0.00002943798048
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001435380410
                2s
                   +0 :               0.00014221072637
                3s
                   +0 :              -0.00003050167093
                2p
                   -1 :              -0.00020805080204
                   +0 :               0.00002627596091
                   +1 :              -0.00015278316146
                3p
                   -1 :               0.00012047530384
                   +0 :               0.00000189032603
                   +1 :               0.00010774858286
                3d
                   -2 :              -0.00000302616494
                   -1 :              -0.00000468066635
                   +0 :              -0.00000197334966
                   +1 :              -0.00000166312656
                   +2 :               0.00000072609415
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001371421484
                2s
                   +0 :               0.00020031084021
                3s
                   +0 :              -0.00003764870803
                2p
                   -1 :              -0.00003553558325
                   +0 :               0.00014908218956
                   +1 :              -0.00015749436180
                3p
                   -1 :              -0.00007717126437
                   +0 :              -0.00009177253644
                   +1 :               0.00008281586477
                3d
                   -2 :              -0.00000118132491
                   -1 :               0.00001538843394
                   +0 :              -0.00000706211506
                   +1 :               0.00000869108934
                   +2 :              -0.00001837737158
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000174640721
                2s
                   +0 :               0.00000082100711
                3s
                   +0 :               0.00001001496415
                2p
                   -1 :              -0.00007129387621
                   +0 :              -0.00002740993764
                   +1 :               0.00008560804339
                3p
                   -1 :               0.00007809206589
                   +0 :               0.00004804975839
                   +1 :              -0.00008013083281
                3d
                   -2 :               0.00000440412268
                   -1 :              -0.00000090698960
                   +0 :               0.00001672737283
                   +1 :               0.00001113559409
                   +2 :              -0.00000481231801
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000847426333
                2s
                   +0 :               0.00004199319349
                3s
                   +0 :              -0.00001944745817
                2p
                   -1 :               0.00007686298078
                   +0 :              -0.00000863861275
                   +1 :               0.00001601521859
                3p
                   -1 :              -0.00006129535686
                   +0 :              -0.00001106832850
                   +1 :              -0.00000662317902
                3d
                   -2 :              -0.00000120929556
                   -1 :              -0.00000225054823
                   +0 :               0.00000055033456
                   +1 :              -0.00000391977585
                   +2 :               0.00000393557617
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000384039138
                2s
                   +0 :               0.00006877147974
                3s
                   +0 :               0.00000417258858
                2p
                   -1 :               0.00003404276678
                   +0 :              -0.00000491061796
                   +1 :              -0.00001976532890
                3p
                   -1 :               0.00000705789368
                   +0 :              -0.00000288102485
                   +1 :              -0.00000303624728
                3d
                   -2 :              -0.00000658481575
                   -1 :              -0.00000602576118
                   +0 :              -0.00000524377179
                   +1 :               0.00000474780475
                   +2 :               0.00000093957311
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000779820736
                2s
                   +0 :              -0.00000422451188
                3s
                   +0 :               0.00004291205673
                2p
                   -1 :              -0.00006816480555
                   +0 :              -0.00003360416938
                   +1 :              -0.00013103762510
                3p
                   -1 :               0.00011489867836
                   +0 :               0.00002743028849
                   +1 :               0.00005126099039
                3d
                   -2 :              -0.00000180628480
                   -1 :               0.00001357723001
                   +0 :              -0.00001326028045
                   +1 :              -0.00001269581280
                   +2 :              -0.00000970314729
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00002464342045
                2s
                   +0 :              -0.00020605957305
                3s
                   +0 :               0.00004503731147
                2p
                   -1 :               0.00000991675504
                   +0 :               0.00011449365925
                   +1 :              -0.00005680599887
                3p
                   -1 :              -0.00001156584378
                   +0 :               0.00003070931419
                   +1 :               0.00000444595479
                3d
                   -2 :              -0.00000285685616
                   -1 :              -0.00000028040551
                   +0 :              -0.00000583859901
                   +1 :               0.00000547168246
                   +2 :              -0.00000059836055
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003836973883
                2s
                   +0 :              -0.00028503338181
                3s
                   +0 :               0.00009678380251
                2p
                   -1 :               0.00005083543660
                   +0 :               0.00012330251434
                   +1 :               0.00002262552024
                3p
                   -1 :              -0.00007795784881
                   +0 :              -0.00003920429292
                   +1 :              -0.00001223243020
                3d
                   -2 :              -0.00000635267271
                   -1 :               0.00000907571792
                   +0 :               0.00000872261861
                   +1 :              -0.00000069456633
                   +2 :              -0.00000848365990
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000784404069
                2s
                   +0 :              -0.00009588586119
                3s
                   +0 :              -0.00001521388461
                2p
                   -1 :               0.00001532436345
                   +0 :               0.00009732370428
                   +1 :               0.00002641982462
                3p
                   -1 :              -0.00001332887752
                   +0 :              -0.00000555583676
                   +1 :               0.00002744961423
                3d
                   -2 :               0.00000355182918
                   -1 :               0.00000504592290
                   +0 :               0.00000122195289
                   +1 :              -0.00001136203155
                   +2 :              -0.00000041484192
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 25)  npairs=  14
              1 vec=    -2.803193      1.376461      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00227188180907
                2s
                   +0 :               0.05938638045860
                3s
                   +0 :              -0.00335479044857
                2p
                   -1 :               0.01426598768451
                   +0 :               0.02398289723649
                   +1 :              -0.02121883420620
                3p
                   -1 :              -0.00352456719775
                   +0 :               0.00290786062582
                   +1 :              -0.00310617839010
                3d
                   -2 :              -0.00089870381027
                   -1 :               0.00195254657461
                   +0 :               0.00147237506206
                   +1 :              -0.00251013091466
                   +2 :               0.00059560326327
              2 vec=     4.976970     -3.115418      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00007479280922
                2s
                   +0 :              -0.00140512297453
                3s
                   +0 :               0.00046221169087
                2p
                   -1 :               0.00068346309046
                   +0 :               0.00159139744874
                   +1 :               0.00029294734274
                3p
                   -1 :              -0.00106797891319
                   +0 :              -0.00127808547696
                   +1 :               0.00050436560863
                3d
                   -2 :               0.00008566773989
                   -1 :               0.00004691842223
                   +0 :              -0.00032332148433
                   +1 :              -0.00019503528353
                   +2 :              -0.00005645265996
              3 vec=     4.976970      5.868340      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00027127331431
                2s
                   +0 :              -0.00285788199942
                3s
                   +0 :               0.00097884983599
                2p
                   -1 :               0.00061605076126
                   +0 :              -0.00342202109307
                   +1 :              -0.00257822712144
                3p
                   -1 :               0.00024007568775
                   +0 :               0.00083244588775
                   +1 :               0.00131520418007
                3d
                   -2 :               0.00003728478267
                   -1 :              -0.00020495415037
                   +0 :              -0.00010805376330
                   +1 :               0.00007631575208
                   +2 :              -0.00008264919062
              4 vec=    -2.803193     -7.607297      4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00013495611657
                2s
                   +0 :              -0.00064314499477
                3s
                   +0 :               0.00051520169433
                2p
                   -1 :              -0.00270124453389
                   +0 :              -0.00104629268559
                   +1 :              -0.00038024577795
                3p
                   -1 :               0.00189622755288
                   +0 :               0.00001524806061
                   +1 :              -0.00062684991202
                3d
                   -2 :               0.00010817967641
                   -1 :               0.00012047774039
                   +0 :               0.00000433306272
                   +1 :               0.00004973455020
                   +2 :               0.00011431476019
              5 vec=    -2.803193     10.360219      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00025976325312
                2s
                   +0 :              -0.00144305314031
                3s
                   +0 :               0.00084970340310
                2p
                   -1 :              -0.00075514971722
                   +0 :               0.00052196260721
                   +1 :               0.00094657168896
                3p
                   -1 :               0.00077329030461
                   +0 :              -0.00050864091063
                   +1 :              -0.00084501212621
                3d
                   -2 :              -0.00007592849135
                   -1 :              -0.00002434377281
                   +0 :              -0.00004476026152
                   +1 :               0.00001849300284
                   +2 :               0.00000418376666
              6 vec=   -10.583355     -3.115418      4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00001838443367
                2s
                   +0 :               0.00009596678465
                3s
                   +0 :               0.00013126668374
                2p
                   -1 :              -0.00009080714197
                   +0 :              -0.00012757591437
                   +1 :              -0.00026334320003
                3p
                   -1 :              -0.00006141979299
                   +0 :               0.00003836600144
                   +1 :               0.00005701607918
                3d
                   -2 :               0.00000572129198
                   -1 :              -0.00000290783331
                   +0 :              -0.00001505191775
                   +1 :               0.00000364874072
                   +2 :               0.00000813228847
              7 vec=   -10.583355      5.868340      4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00001718489440
                2s
                   +0 :               0.00004237955321
                3s
                   +0 :               0.00013485359568
                2p
                   -1 :               0.00009578723856
                   +0 :              -0.00003842480206
                   +1 :               0.00038892748820
                3p
                   -1 :               0.00004712103438
                   +0 :               0.00016527026346
                   +1 :              -0.00031363480438
                3d
                   -2 :               0.00000229477189
                   -1 :               0.00003592869395
                   +0 :              -0.00004082055496
                   +1 :               0.00000516168321
                   +2 :               0.00000249724295
              8 vec=    12.757133      1.376461      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00007886966394
                2s
                   +0 :               0.00086458844150
                3s
                   +0 :              -0.00019950054474
                2p
                   -1 :              -0.00006302210740
                   +0 :              -0.00019886830003
                   +1 :               0.00079424917326
                3p
                   -1 :               0.00005469271235
                   +0 :               0.00014127113526
                   +1 :              -0.00027674087587
                3d
                   -2 :               0.00002767816826
                   -1 :              -0.00001617450355
                   +0 :              -0.00001917568854
                   +1 :               0.00001938977841
                   +2 :               0.00001772284988
              9 vec=     4.976970    -12.099176      4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00002247646767
                2s
                   +0 :               0.00014144607809
                3s
                   +0 :               0.00014732852714
                2p
                   -1 :              -0.00039318996239
                   +0 :               0.00005527087922
                   +1 :               0.00025997612447
                3p
                   -1 :               0.00008972018461
                   +0 :              -0.00007395265568
                   +1 :              -0.00004193915709
                3d
                   -2 :              -0.00001820950129
                   -1 :               0.00003098977467
                   +0 :              -0.00000998376058
                   +1 :              -0.00000213472344
                   +2 :              -0.00001151357536
             10 vec=    12.757133     -7.607297      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00004372374914
                2s
                   +0 :              -0.00023609406653
                3s
                   +0 :               0.00012771627844
                2p
                   -1 :               0.00003808735250
                   +0 :              -0.00003779496222
                   +1 :              -0.00012926397500
                3p
                   -1 :              -0.00003558463780
                   +0 :               0.00001398583962
                   +1 :               0.00013620583638
                3d
                   -2 :              -0.00000625915031
                   -1 :               0.00000167463877
                   +0 :               0.00000179782154
                   +1 :               0.00000320250448
                   +2 :               0.00000754611165
             11 vec=     4.976970     14.852098      4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00000393575173
                2s
                   +0 :              -0.00001028188318
                3s
                   +0 :               0.00005056041409
                2p
                   -1 :              -0.00013268732132
                   +0 :              -0.00006229701562
                   +1 :              -0.00013838955032
                3p
                   -1 :               0.00017540253284
                   +0 :               0.00003603388795
                   +1 :               0.00016768600674
                3d
                   -2 :               0.00002633996761
                   -1 :               0.00000487578214
                   +0 :              -0.00000597890733
                   +1 :               0.00000520267164
                   +2 :              -0.00000741908235
             12 vec=   -10.583355    -12.099176      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00000168227461
                2s
                   +0 :               0.00000777575673
                3s
                   +0 :               0.00001931572890
                2p
                   -1 :               0.00001789343696
                   +0 :              -0.00005129136923
                   +1 :               0.00015066224061
                3p
                   -1 :              -0.00005161634009
                   +0 :               0.00002278469466
                   +1 :              -0.00015381016176
                3d
                   -2 :               0.00000815659301
                   -1 :              -0.00000174428763
                   +0 :              -0.00000917428418
                   +1 :               0.00000211465897
                   +2 :               0.00000003741159
             13 vec=    12.757133     10.360219      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00001102530551
                2s
                   +0 :               0.00007708977329
                3s
                   +0 :              -0.00003678711370
                2p
                   -1 :              -0.00000843437914
                   +0 :               0.00002648692884
                   +1 :               0.00005349893267
                3p
                   -1 :               0.00002937193318
                   +0 :              -0.00004045766531
                   +1 :              -0.00002097322180
                3d
                   -2 :              -0.00000261427255
                   -1 :               0.00000112369579
                   +0 :              -0.00000593078165
                   +1 :              -0.00000854891949
                   +2 :              -0.00000618682690
             14 vec=    -2.803193    -16.591055      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00000006579904
                2s
                   +0 :               0.00001893489132
                3s
                   +0 :               0.00001265516881
                2p
                   -1 :              -0.00004967550397
                   +0 :              -0.00005666463220
                   +1 :               0.00005598960950
                3p
                   -1 :               0.00001102915038
                   +0 :               0.00003211705862
                   +1 :              -0.00004821797946
                3d
                   -2 :              -0.00000186138793
                   -1 :               0.00000175420022
                   +0 :               0.00000285485901
                   +1 :              -0.00000147121743
                   +2 :              -0.00000476348507
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 26)  npairs=  14
              1 vec=     0.209805     -3.115418      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00239563079913
                2s
                   +0 :               0.05245955660761
                3s
                   +0 :              -0.00366645835087
                2p
                   -1 :              -0.02439207551700
                   +0 :               0.02526971445609
                   +1 :               0.00580147345563
                3p
                   -1 :               0.00127133250161
                   +0 :              -0.00036499256718
                   +1 :              -0.00316890784982
                3d
                   -2 :              -0.00062370876550
                   -1 :              -0.00288198881669
                   +0 :               0.00097135430101
                   +1 :               0.00079745527459
                   +2 :              -0.00117958450748
              2 vec=     0.209805      5.868340      4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00226345483318
                2s
                   +0 :               0.01616386916998
                3s
                   +0 :              -0.00761116260451
                2p
                   -1 :               0.01524983952976
                   +0 :               0.00590283124801
                   +1 :               0.00120022683333
                3p
                   -1 :              -0.01091386948278
                   +0 :              -0.00457119210153
                   +1 :              -0.00055489106815
                3d
                   -2 :              -0.00004367202881
                   -1 :              -0.00051998956449
                   +0 :               0.00035935208374
                   +1 :              -0.00003024180901
                   +2 :               0.00076491357936
              3 vec=    -7.570358      1.376461      4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00009767025653
                2s
                   +0 :               0.00083250995281
                3s
                   +0 :               0.00003754481060
                2p
                   -1 :              -0.00134039533810
                   +0 :              -0.00267136471704
                   +1 :              -0.00527911521938
                3p
                   -1 :               0.00062911574450
                   +0 :               0.00052130966266
                   +1 :               0.00199408085865
                3d
                   -2 :               0.00000401640775
                   -1 :              -0.00005049675273
                   +0 :              -0.00012478365137
                   +1 :               0.00013885080008
                   +2 :               0.00007364171201
              4 vec=     7.989968      1.376461      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00015236016006
                2s
                   +0 :               0.00099031531381
                3s
                   +0 :              -0.00014249070193
                2p
                   -1 :              -0.00105999204758
                   +0 :              -0.00185404110717
                   +1 :               0.00191242330358
                3p
                   -1 :               0.00069535773208
                   +0 :               0.00051193098136
                   +1 :               0.00056889244100
                3d
                   -2 :               0.00008823558163
                   -1 :              -0.00002127640602
                   +0 :              -0.00014256751838
                   +1 :              -0.00003422323464
                   +2 :               0.00018895613664
              5 vec=    -7.570358     -7.607297      4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00004408641729
                2s
                   +0 :               0.00061917469841
                3s
                   +0 :              -0.00017375788142
                2p
                   -1 :              -0.00081872187896
                   +0 :              -0.00016216495779
                   +1 :               0.00010314611759
                3p
                   -1 :               0.00064948810780
                   +0 :               0.00007048981059
                   +1 :              -0.00025021908235
                3d
                   -2 :              -0.00005214789641
                   -1 :               0.00004095870467
                   +0 :               0.00005120290104
                   +1 :              -0.00000612977859
                   +2 :               0.00004761701963
              6 vec=     7.989968     -7.607297      4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00008382043250
                2s
                   +0 :               0.00057577840078
                3s
                   +0 :              -0.00026714303024
                2p
                   -1 :              -0.00003581578047
                   +0 :              -0.00032915245752
                   +1 :               0.00089343884791
                3p
                   -1 :               0.00011902741635
                   +0 :               0.00014737166663
                   +1 :              -0.00084003631664
                3d
                   -2 :               0.00006702171826
                   -1 :               0.00000183179229
                   +0 :               0.00003483022736
                   +1 :              -0.00001050201009
                   +2 :               0.00000686884987
              7 vec=     0.209805    -12.099176      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00000354346286
                2s
                   +0 :               0.00020033997906
                3s
                   +0 :               0.00000449174052
                2p
                   -1 :               0.00017393231395
                   +0 :               0.00027564742118
                   +1 :              -0.00005797505074
                3p
                   -1 :              -0.00026087927820
                   +0 :              -0.00015498207606
                   +1 :              -0.00001268529654
                3d
                   -2 :              -0.00001777363330
                   -1 :               0.00002788659987
                   +0 :              -0.00000832754337
                   +1 :               0.00002433309987
                   +2 :               0.00002567060711
              8 vec=    -7.570358     10.360219      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00001256147533
                2s
                   +0 :               0.00032258122844
                3s
                   +0 :               0.00006619479966
                2p
                   -1 :               0.00006293921086
                   +0 :               0.00009610776645
                   +1 :              -0.00014209152756
                3p
                   -1 :               0.00021245239587
                   +0 :              -0.00006350260604
                   +1 :              -0.00004153828544
                3d
                   -2 :              -0.00003689819233
                   -1 :              -0.00001814315053
                   +0 :              -0.00002556347139
                   +1 :              -0.00000250732242
                   +2 :              -0.00001932349108
              9 vec=     7.989968     10.360219      4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00000118364177
                2s
                   +0 :               0.00005689280077
                3s
                   +0 :               0.00003064025236
                2p
                   -1 :              -0.00003434662036
                   +0 :              -0.00014739399641
                   +1 :               0.00022861908466
                3p
                   -1 :               0.00005568223090
                   +0 :               0.00009973971958
                   +1 :              -0.00014316114614
                3d
                   -2 :              -0.00001579661613
                   -1 :               0.00000748136826
                   +0 :              -0.00000363923381
                   +1 :              -0.00000226661546
                   +2 :               0.00001075211748
             10 vec=     0.209805     14.852098      4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00003286205545
                2s
                   +0 :               0.00020540387587
                3s
                   +0 :              -0.00005546869614
                2p
                   -1 :               0.00018101581645
                   +0 :               0.00006980038584
                   +1 :               0.00003790864090
                3p
                   -1 :              -0.00007449075123
                   +0 :              -0.00007157043279
                   +1 :              -0.00001526941268
                3d
                   -2 :               0.00000740105989
                   -1 :              -0.00000798054985
                   +0 :              -0.00001277375607
                   +1 :              -0.00000804931795
                   +2 :              -0.00001758615514
             11 vec=   -15.350520     -3.115418      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000876385124
                2s
                   +0 :               0.00007353480854
                3s
                   +0 :               0.00000671537880
                2p
                   -1 :              -0.00004659447747
                   +0 :              -0.00003954135298
                   +1 :              -0.00003877050037
                3p
                   -1 :              -0.00000187063874
                   +0 :               0.00002005967484
                   +1 :              -0.00001867979409
                3d
                   -2 :               0.00000374843497
                   -1 :              -0.00000739503336
                   +0 :              -0.00001078132171
                   +1 :              -0.00000340783741
                   +2 :              -0.00000537901381
             12 vec=    15.770130     -3.115418      4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00001868448338
                2s
                   +0 :              -0.00010718380852
                3s
                   +0 :               0.00005768967054
                2p
                   -1 :              -0.00005398667244
                   +0 :               0.00000399602646
                   +1 :              -0.00010357729190
                3p
                   -1 :               0.00002504820959
                   +0 :              -0.00003118056596
                   +1 :               0.00008632775896
                3d
                   -2 :              -0.00000051996755
                   -1 :               0.00000341212149
                   +0 :              -0.00000726496646
                   +1 :              -0.00000013564488
                   +2 :               0.00000310843126
             13 vec=   -15.350520      5.868340      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00000417546358
                2s
                   +0 :               0.00003816804413
                3s
                   +0 :              -0.00000498255680
                2p
                   -1 :              -0.00004371073252
                   +0 :              -0.00009586666854
                   +1 :              -0.00003181628819
                3p
                   -1 :               0.00005840234480
                   +0 :               0.00007049042953
                   +1 :               0.00002228287460
                3d
                   -2 :              -0.00000303930890
                   -1 :               0.00000270416385
                   +0 :               0.00000392967053
                   +1 :               0.00000233155704
                   +2 :               0.00000420277186
             14 vec=    15.770130      5.868340      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00000275942461
                2s
                   +0 :               0.00001845922854
                3s
                   +0 :              -0.00000544170858
                2p
                   -1 :               0.00008163839547
                   +0 :               0.00004025178887
                   +1 :              -0.00001802112499
                3p
                   -1 :              -0.00003398405214
                   +0 :              -0.00005756024195
                   +1 :               0.00000621563350
                3d
                   -2 :              -0.00000175239297
                   -1 :               0.00000022830174
                   +0 :              -0.00000246525646
                   +1 :               0.00000042360525
                   +2 :              -0.00000064104870
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 27)  npairs=  14
              1 vec=     2.593388      1.013068      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00259842268062
                2s
                   +0 :               0.08085146435550
                3s
                   +0 :              -0.00472444533662
                2p
                   -1 :               0.01170913208001
                   +0 :               0.04408312154496
                   +1 :               0.03517307979525
                3p
                   -1 :              -0.00201447491053
                   +0 :              -0.00608429433990
                   +1 :              -0.00425032122245
                3d
                   -2 :               0.00130943902172
                   -1 :               0.00054830244939
                   +0 :               0.00095365296862
                   +1 :               0.00153774136110
                   +2 :               0.00171793376030
              2 vec=    -5.186775     -3.478811      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00042681697190
                2s
                   +0 :               0.00316796508943
                3s
                   +0 :              -0.00150797431355
                2p
                   -1 :              -0.00001167156369
                   +0 :               0.00182099775323
                   +1 :              -0.00365219629865
                3p
                   -1 :              -0.00067824157695
                   +0 :              -0.00071342324139
                   +1 :               0.00215734827816
                3d
                   -2 :              -0.00021895524717
                   -1 :              -0.00001658938955
                   +0 :               0.00038870290257
                   +1 :               0.00012646014836
                   +2 :              -0.00006212179968
              3 vec=    -5.186775      5.504947      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00026010979844
                2s
                   +0 :               0.00117864581530
                3s
                   +0 :              -0.00088941815758
                2p
                   -1 :               0.00297161251064
                   +0 :              -0.00353892632446
                   +1 :              -0.00104640862354
                3p
                   -1 :              -0.00090859346824
                   +0 :               0.00057511930651
                   +1 :               0.00174323939395
                3d
                   -2 :               0.00003410904972
                   -1 :              -0.00018088207671
                   +0 :              -0.00001193291923
                   +1 :               0.00021887715633
                   +2 :              -0.00019314845014
              4 vec=     2.593388     -7.970690      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00023762727804
                2s
                   +0 :               0.00168887487746
                3s
                   +0 :              -0.00056438187167
                2p
                   -1 :              -0.00234772064845
                   +0 :               0.00041555790354
                   +1 :               0.00102595847807
                3p
                   -1 :               0.00099411448212
                   +0 :              -0.00124259123382
                   +1 :               0.00007345844514
                3d
                   -2 :              -0.00006160674015
                   -1 :               0.00015039786139
                   +0 :              -0.00002359383331
                   +1 :              -0.00005220232677
                   +2 :              -0.00000819449296
              5 vec=     2.593388      9.996826      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00018932592220
                2s
                   +0 :              -0.00085909629583
                3s
                   +0 :               0.00043904306065
                2p
                   -1 :               0.00062458375353
                   +0 :               0.00093576781862
                   +1 :               0.00111461897063
                3p
                   -1 :              -0.00047217270103
                   +0 :              -0.00100920837406
                   +1 :              -0.00091265401760
                3d
                   -2 :              -0.00010975967429
                   -1 :              -0.00003090589878
                   +0 :               0.00008561127177
                   +1 :              -0.00004681359525
                   +2 :               0.00006784652424
              6 vec=    10.373550     -3.478811      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00004293119423
                2s
                   +0 :               0.00026417651733
                3s
                   +0 :              -0.00004238126234
                2p
                   -1 :              -0.00051416280409
                   +0 :               0.00009826460681
                   +1 :               0.00034279394669
                3p
                   -1 :               0.00044527469125
                   +0 :              -0.00020113410956
                   +1 :              -0.00040248813682
                3d
                   -2 :               0.00000215269157
                   -1 :              -0.00001532580112
                   +0 :              -0.00000262729925
                   +1 :               0.00003234499029
                   +2 :              -0.00002175722554
              7 vec=    10.373550      5.504947      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001177365234
                2s
                   +0 :               0.00023979911897
                3s
                   +0 :              -0.00002548116454
                2p
                   -1 :               0.00050732766138
                   +0 :               0.00009106648966
                   +1 :              -0.00006093570892
                3p
                   -1 :              -0.00025321016834
                   +0 :               0.00003820106379
                   +1 :              -0.00004450966334
                3d
                   -2 :               0.00000455519081
                   -1 :              -0.00000673158423
                   +0 :               0.00002297449368
                   +1 :              -0.00001893833160
                   +2 :              -0.00001071182802
              8 vec=   -12.966938      1.013068      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00000782975790
                2s
                   +0 :               0.00034404228300
                3s
                   +0 :               0.00014111675935
                2p
                   -1 :              -0.00025907506321
                   +0 :              -0.00000668526737
                   +1 :              -0.00012737098064
                3p
                   -1 :               0.00019715364034
                   +0 :               0.00010885590903
                   +1 :              -0.00036384660625
                3d
                   -2 :              -0.00001237267633
                   -1 :               0.00000746101974
                   +0 :              -0.00001225385226
                   +1 :              -0.00002975593010
                   +2 :               0.00005578314251
              9 vec=    -5.186775    -12.462569      4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00000190276671
                2s
                   +0 :               0.00009512761657
                3s
                   +0 :               0.00006952048535
                2p
                   -1 :               0.00007351370284
                   +0 :              -0.00005148557155
                   +1 :              -0.00011595190046
                3p
                   -1 :              -0.00022541095668
                   +0 :               0.00004596917611
                   +1 :               0.00001145495016
                3d
                   -2 :               0.00001630561048
                   -1 :              -0.00000211372540
                   +0 :              -0.00002945981814
                   +1 :              -0.00001894310378
                   +2 :              -0.00001971461880
             10 vec=   -12.966938     -7.970690      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000473799217
                2s
                   +0 :               0.00003794620979
                3s
                   +0 :               0.00001451950908
                2p
                   -1 :               0.00003846320501
                   +0 :               0.00001587725995
                   +1 :              -0.00006123544658
                3p
                   -1 :              -0.00008600189351
                   +0 :              -0.00001086147743
                   +1 :              -0.00000314275622
                3d
                   -2 :               0.00000068220198
                   -1 :               0.00000295783856
                   +0 :               0.00000269376224
                   +1 :               0.00000290383718
                   +2 :              -0.00000476135189
             11 vec=    -5.186775     14.488705      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00005863041581
                2s
                   +0 :               0.00037412368429
                3s
                   +0 :              -0.00016062255263
                2p
                   -1 :               0.00012506085164
                   +0 :               0.00016387669054
                   +1 :              -0.00004493223426
                3p
                   -1 :              -0.00005119321556
                   +0 :              -0.00017071517336
                   +1 :               0.00003591610439
                3d
                   -2 :               0.00000777871154
                   -1 :              -0.00002232653942
                   +0 :              -0.00000923263196
                   +1 :               0.00001231353662
                   +2 :              -0.00000159612074
             12 vec=    10.373550    -12.462569      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00002202621693
                2s
                   +0 :              -0.00013696869480
                3s
                   +0 :               0.00007899800036
                2p
                   -1 :               0.00003288721517
                   +0 :              -0.00006774524296
                   +1 :               0.00000490677821
                3p
                   -1 :              -0.00001375777603
                   +0 :               0.00004177580782
                   +1 :               0.00001356624439
                3d
                   -2 :               0.00000044272681
                   -1 :               0.00000002951573
                   +0 :              -0.00000166089298
                   +1 :               0.00000240827310
                   +2 :              -0.00000309344690
             13 vec=   -12.966938      9.996826      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00000775383569
                2s
                   +0 :               0.00007367797699
                3s
                   +0 :              -0.00001023734349
                2p
                   -1 :               0.00004741274219
                   +0 :              -0.00005714928003
                   +1 :               0.00002232169668
                3p
                   -1 :              -0.00001942919685
                   +0 :               0.00003282870083
                   +1 :              -0.00005734140425
                3d
                   -2 :              -0.00000818772636
                   -1 :               0.00000814521332
                   +0 :               0.00000117489559
                   +1 :              -0.00000279296492
                   +2 :               0.00000598569362
             14 vec=     2.593388    -16.954448      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00000482544278
                2s
                   +0 :               0.00004808245666
                3s
                   +0 :              -0.00000899342793
                2p
                   -1 :              -0.00004581422760
                   +0 :              -0.00001354862179
                   +1 :              -0.00003690056443
                3p
                   -1 :               0.00001969238603
                   +0 :               0.00000710178109
                   +1 :               0.00001733375186
                3d
                   -2 :               0.00000626037295
                   -1 :               0.00000000551503
                   +0 :               0.00000081098534
                   +1 :               0.00000025313713
                   +2 :               0.00000099452388
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 28)  npairs=  14
              1 vec=     0.209286     -0.362794     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00034455087279
                2s
                   +0 :              -0.00038821264475
                3s
                   +0 :               0.00127682494947
                2p
                   -1 :              -0.00060158758760
                   +0 :               0.00392726886290
                   +1 :              -0.00226243642995
                3p
                   -1 :               0.00023362106560
                   +0 :              -0.00372535000814
                   +1 :               0.00130357497649
                3d
                   -2 :               0.00011059042037
                   -1 :               0.00005313258451
                   +0 :               0.00075755505519
                   +1 :               0.00013211585292
                   +2 :              -0.00004667977056
              2 vec=     0.209286      8.620964     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00024385891768
                2s
                   +0 :               0.00102105816498
                3s
                   +0 :              -0.00083819134265
                2p
                   -1 :              -0.00145337211541
                   +0 :              -0.00122307207277
                   +1 :               0.00059694737611
                3p
                   -1 :               0.00079258837855
                   +0 :               0.00095711839540
                   +1 :              -0.00050300666334
                3d
                   -2 :               0.00000523004704
                   -1 :              -0.00003382585292
                   +0 :              -0.00004909347274
                   +1 :              -0.00002904889919
                   +2 :              -0.00004924321023
              3 vec=    -7.570876      4.129085     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00005634630801
                2s
                   +0 :               0.00016717746465
                3s
                   +0 :              -0.00015437276767
                2p
                   -1 :              -0.00052540465011
                   +0 :               0.00051585300273
                   +1 :               0.00030085108950
                3p
                   -1 :               0.00036147889036
                   +0 :              -0.00039986201306
                   +1 :              -0.00011160789729
                3d
                   -2 :              -0.00003871324158
                   -1 :              -0.00004421274209
                   +0 :               0.00004218982641
                   +1 :              -0.00001077376024
                   +2 :              -0.00002792161229
              4 vec=     7.989449      4.129085     -8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00006832993338
                2s
                   +0 :              -0.00052151450514
                3s
                   +0 :               0.00027468772288
                2p
                   -1 :              -0.00014027118489
                   +0 :              -0.00017214063236
                   +1 :              -0.00087034339714
                3p
                   -1 :              -0.00008350414820
                   +0 :               0.00006346231086
                   +1 :               0.00046465566007
                3d
                   -2 :               0.00003417510050
                   -1 :              -0.00000232795148
                   +0 :              -0.00002446866515
                   +1 :              -0.00001679522793
                   +2 :               0.00001178722286
              5 vec=    -7.570876     -4.854673     -8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00002427789333
                2s
                   +0 :              -0.00037207652497
                3s
                   +0 :              -0.00015208151559
                2p
                   -1 :               0.00016263856891
                   +0 :              -0.00046653434112
                   +1 :               0.00008637202639
                3p
                   -1 :               0.00007468347180
                   +0 :               0.00011646640169
                   +1 :               0.00025202343930
                3d
                   -2 :              -0.00001620671387
                   -1 :               0.00000014145479
                   +0 :               0.00004052682339
                   +1 :              -0.00002363305233
                   +2 :              -0.00002280258278
              6 vec=     7.989449     -4.854673     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00000984947285
                2s
                   +0 :              -0.00057386590724
                3s
                   +0 :               0.00003332839218
                2p
                   -1 :               0.00040530058110
                   +0 :               0.00063456688017
                   +1 :              -0.00079375143232
                3p
                   -1 :              -0.00009476885966
                   +0 :              -0.00060343593938
                   +1 :               0.00037589892672
                3d
                   -2 :               0.00003064358125
                   -1 :               0.00000431601712
                   +0 :               0.00001143107944
                   +1 :              -0.00000571601760
                   +2 :               0.00002188719141
              7 vec=     0.209286     -9.346552     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00002377630033
                2s
                   +0 :              -0.00025778012287
                3s
                   +0 :               0.00005284868479
                2p
                   -1 :               0.00081318336076
                   +0 :              -0.00038420287835
                   +1 :               0.00032100920039
                3p
                   -1 :              -0.00042778826065
                   +0 :               0.00043075256973
                   +1 :              -0.00028268348196
                3d
                   -2 :               0.00000198084436
                   -1 :              -0.00001452624621
                   +0 :              -0.00006188043136
                   +1 :              -0.00001413851079
                   +2 :              -0.00003908009639
              8 vec=     0.209286     -0.362794     16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000552385354
                2s
                   +0 :               0.00007155019354
                3s
                   +0 :               0.00000849178079
                2p
                   -1 :               0.00007412335051
                   +0 :              -0.00002386930132
                   +1 :               0.00005873545677
                3p
                   -1 :              -0.00007201462749
                   +0 :               0.00008989076751
                   +1 :              -0.00007367564814
                3d
                   -2 :               0.00001083125525
                   -1 :              -0.00000086838109
                   +0 :               0.00001063222552
                   +1 :              -0.00000476458412
                   +2 :              -0.00000089675824
              9 vec=    -7.570876     13.112843     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00000767488312
                2s
                   +0 :               0.00004522329543
                3s
                   +0 :              -0.00005882166295
                2p
                   -1 :              -0.00007073173514
                   +0 :               0.00006517788354
                   +1 :              -0.00001145500273
                3p
                   -1 :               0.00002523041885
                   +0 :              -0.00004670329557
                   +1 :               0.00003588897444
                3d
                   -2 :               0.00000468861951
                   -1 :              -0.00000646295676
                   +0 :               0.00000766128372
                   +1 :              -0.00000196124467
                   +2 :              -0.00000058608186
             10 vec=     7.989449     13.112843     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000801223080
                2s
                   +0 :              -0.00008949783614
                3s
                   +0 :               0.00001100884514
                2p
                   -1 :              -0.00005389345820
                   +0 :               0.00003045191571
                   +1 :               0.00009123751884
                3p
                   -1 :              -0.00000031634499
                   +0 :               0.00000708966295
                   +1 :              -0.00008892177301
                3d
                   -2 :              -0.00000567043163
                   -1 :               0.00000571618291
                   +0 :               0.00000507517146
                   +1 :               0.00000237383209
                   +2 :              -0.00000004167461
             11 vec=   -15.351039     -0.362794     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00001380974603
                2s
                   +0 :              -0.00012210775343
                3s
                   +0 :               0.00002454022416
                2p
                   -1 :              -0.00001947967298
                   +0 :               0.00001338172965
                   +1 :               0.00014509554970
                3p
                   -1 :               0.00003315837237
                   +0 :               0.00002197066640
                   +1 :              -0.00004984827334
                3d
                   -2 :              -0.00000515825463
                   -1 :              -0.00000117780067
                   +0 :              -0.00000100386666
                   +1 :              -0.00000189952453
                   +2 :              -0.00000095977632
             12 vec=    15.769612     -0.362794     -8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00001430871081
                2s
                   +0 :              -0.00010824613959
                3s
                   +0 :               0.00002182925441
                2p
                   -1 :              -0.00001142634018
                   +0 :               0.00001975205480
                   +1 :              -0.00001334855839
                3p
                   -1 :               0.00003753625622
                   +0 :               0.00002932937865
                   +1 :              -0.00001999159566
                3d
                   -2 :               0.00000140680286
                   -1 :              -0.00000198922199
                   +0 :              -0.00000217250762
                   +1 :               0.00000001051700
                   +2 :              -0.00000110406416
             13 vec=    -7.570876    -13.838431     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000048652031
                2s
                   +0 :              -0.00003720903002
                3s
                   +0 :              -0.00001974704864
                2p
                   -1 :               0.00002688637063
                   +0 :               0.00002994639287
                   +1 :               0.00002550468116
                3p
                   -1 :               0.00002529348588
                   +0 :               0.00001028791330
                   +1 :               0.00001902236290
                3d
                   -2 :              -0.00000587075522
                   -1 :              -0.00000369422826
                   +0 :              -0.00000301141554
                   +1 :              -0.00000756473390
                   +2 :              -0.00000252497865
             14 vec=     7.989449    -13.838431     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000424933747
                2s
                   +0 :               0.00000169773063
                3s
                   +0 :              -0.00001423776067
                2p
                   -1 :              -0.00002385120927
                   +0 :               0.00004894445376
                   +1 :              -0.00002577853516
                3p
                   -1 :               0.00003826714194
                   +0 :              -0.00003752287013
                   +1 :               0.00000391858825
                3d
                   -2 :              -0.00000039920333
                   -1 :               0.00000038795022
                   +0 :               0.00000141201867
                   +1 :              -0.00000292036885
                   +2 :              -0.00000367756017
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 29)  npairs=  15
              1 vec=    -2.802674      4.129085     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00033042418397
                2s
                   +0 :              -0.00253832315625
                3s
                   +0 :               0.00034691004296
                2p
                   -1 :              -0.00136461561440
                   +0 :               0.00351722886183
                   +1 :               0.00019536529735
                3p
                   -1 :              -0.00112039415115
                   +0 :              -0.00056459972894
                   +1 :              -0.00080625963873
                3d
                   -2 :              -0.00003780415633
                   -1 :               0.00032050151396
                   +0 :              -0.00013813936239
                   +1 :               0.00014074955231
                   +2 :               0.00017220572439
              2 vec=     4.977489     -0.362794     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00030292344229
                2s
                   +0 :              -0.00347657525058
                3s
                   +0 :               0.00017816165175
                2p
                   -1 :               0.00448801380079
                   +0 :               0.00361082393985
                   +1 :              -0.00071022138713
                3p
                   -1 :              -0.00156711845237
                   +0 :              -0.00034222534675
                   +1 :              -0.00074318383069
                3d
                   -2 :               0.00005756529898
                   -1 :              -0.00000316053780
                   +0 :              -0.00002422756619
                   +1 :               0.00012978877131
                   +2 :               0.00007478155289
              3 vec=    -2.802674     -4.854673     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00029170423655
                2s
                   +0 :              -0.00279628296420
                3s
                   +0 :               0.00006291452835
                2p
                   -1 :               0.00094046450034
                   +0 :               0.00142176509014
                   +1 :               0.00257056111904
                3p
                   -1 :               0.00004919123888
                   +0 :               0.00101375093277
                   +1 :              -0.00040152985873
                3d
                   -2 :              -0.00002066696853
                   -1 :               0.00005021490613
                   +0 :              -0.00012084083948
                   +1 :              -0.00019175952568
                   +2 :              -0.00007500451696
              4 vec=     4.977489      8.620964     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00011927719077
                2s
                   +0 :              -0.00102118179064
                3s
                   +0 :               0.00046958468269
                2p
                   -1 :              -0.00052582095199
                   +0 :              -0.00015808835848
                   +1 :              -0.00034157296309
                3p
                   -1 :               0.00053088511749
                   +0 :              -0.00006519004526
                   +1 :               0.00003051413943
                3d
                   -2 :               0.00000642101778
                   -1 :              -0.00007839287884
                   +0 :              -0.00000152302593
                   +1 :              -0.00000379745894
                   +2 :              -0.00005502491666
              5 vec=   -10.582837     -0.362794     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00004698435544
                2s
                   +0 :              -0.00058975369368
                3s
                   +0 :               0.00007505761857
                2p
                   -1 :              -0.00011059688103
                   +0 :               0.00000958154603
                   +1 :               0.00027910094789
                3p
                   -1 :               0.00000274834254
                   +0 :              -0.00006082472979
                   +1 :               0.00005520431147
                3d
                   -2 :               0.00000456663898
                   -1 :               0.00002317888524
                   +0 :               0.00001245697913
                   +1 :               0.00000975257731
                   +2 :              -0.00001310473230
              6 vec=     4.977489     -9.346552     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00000958758746
                2s
                   +0 :              -0.00019047787044
                3s
                   +0 :               0.00000583163496
                2p
                   -1 :               0.00016293975825
                   +0 :              -0.00025987432426
                   +1 :               0.00021122175264
                3p
                   -1 :              -0.00005376077932
                   +0 :               0.00020889072657
                   +1 :              -0.00016082715623
                3d
                   -2 :              -0.00000208160107
                   -1 :               0.00000221227566
                   +0 :              -0.00004148677137
                   +1 :              -0.00000923472419
                   +2 :              -0.00002302477713
              7 vec=    -2.802674     13.112843     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00003365239115
                2s
                   +0 :               0.00019931193860
                3s
                   +0 :              -0.00015363218655
                2p
                   -1 :               0.00026902327410
                   +0 :              -0.00012690688897
                   +1 :               0.00012612473844
                3p
                   -1 :              -0.00027854161979
                   +0 :               0.00013823849544
                   +1 :              -0.00003686830264
                3d
                   -2 :               0.00000995877699
                   -1 :               0.00001577805722
                   +0 :              -0.00000370467690
                   +1 :              -0.00000547739007
                   +2 :              -0.00000409023826
              8 vec=    12.757651      4.129085     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00001092067304
                2s
                   +0 :              -0.00013880661886
                3s
                   +0 :               0.00001946524812
                2p
                   -1 :              -0.00005570424448
                   +0 :               0.00010772451556
                   +1 :              -0.00024002236309
                3p
                   -1 :               0.00003687753404
                   +0 :              -0.00005570458896
                   +1 :               0.00011882552666
                3d
                   -2 :               0.00000425973347
                   -1 :               0.00000484220069
                   +0 :               0.00000994872556
                   +1 :              -0.00000133032656
                   +2 :               0.00000282973649
              9 vec=   -10.582837      8.620964     -8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00000528740490
                2s
                   +0 :              -0.00003645872049
                3s
                   +0 :               0.00001043822905
                2p
                   -1 :               0.00005914707294
                   +0 :              -0.00002890862368
                   +1 :               0.00008644498471
                3p
                   -1 :              -0.00006149460109
                   +0 :               0.00002521057974
                   +1 :              -0.00007794777171
                3d
                   -2 :               0.00000212177574
                   -1 :              -0.00000147111673
                   +0 :              -0.00000235106124
                   +1 :              -0.00000308965487
                   +2 :               0.00000549053632
             10 vec=    12.757651     -4.854673     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00001951464554
                2s
                   +0 :               0.00008845432987
                3s
                   +0 :              -0.00009115714696
                2p
                   -1 :              -0.00000718860752
                   +0 :               0.00008280069304
                   +1 :              -0.00003194441154
                3p
                   -1 :              -0.00002086463188
                   +0 :              -0.00006299783364
                   +1 :              -0.00005579003742
                3d
                   -2 :              -0.00000081205600
                   -1 :               0.00000308054516
                   +0 :              -0.00000395697695
                   +1 :              -0.00001231983238
                   +2 :              -0.00000756468850
             11 vec=   -10.582837     -9.346552     -8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00000458027109
                2s
                   +0 :               0.00001168423111
                3s
                   +0 :              -0.00002996270339
                2p
                   -1 :               0.00001782994659
                   +0 :              -0.00013823860222
                   +1 :               0.00005329747793
                3p
                   -1 :               0.00002950372964
                   +0 :               0.00012057470579
                   +1 :              -0.00000769001168
                3d
                   -2 :              -0.00000130704740
                   -1 :              -0.00000756288193
                   +0 :              -0.00000793433319
                   +1 :              -0.00000058015340
                   +2 :               0.00000338099126
             12 vec=    -2.802674    -13.838431     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00000788435038
                2s
                   +0 :              -0.00005770142039
                3s
                   +0 :              -0.00000685717404
                2p
                   -1 :               0.00008956874550
                   +0 :              -0.00005168623499
                   +1 :              -0.00000225178773
                3p
                   -1 :              -0.00003657163564
                   +0 :               0.00004836851971
                   +1 :               0.00001690228580
                3d
                   -2 :              -0.00000587191070
                   -1 :              -0.00000234158325
                   +0 :               0.00000030876497
                   +1 :               0.00000140432032
                   +2 :              -0.00000002524038
             13 vec=    -2.802674      4.129085     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00004038386839
                2s
                   +0 :               0.00027358080749
                3s
                   +0 :              -0.00012200265404
                2p
                   -1 :               0.00015407519953
                   +0 :               0.00025842966673
                   +1 :              -0.00009398156003
                3p
                   -1 :              -0.00010839936931
                   +0 :              -0.00016637077627
                   +1 :               0.00005596633359
                3d
                   -2 :              -0.00000260002083
                   -1 :              -0.00000541965331
                   +0 :              -0.00000761462627
                   +1 :               0.00000101879161
                   +2 :               0.00000029604017
             14 vec=     4.977489     -0.362794     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00002907016918
                2s
                   +0 :               0.00029941242019
                3s
                   +0 :              -0.00004985419208
                2p
                   -1 :               0.00007812235072
                   +0 :               0.00021304984876
                   +1 :              -0.00004533591072
                3p
                   -1 :              -0.00003183175810
                   +0 :              -0.00005845644416
                   +1 :               0.00001733747525
                3d
                   -2 :               0.00000285921993
                   -1 :               0.00000147762697
                   +0 :               0.00000049888493
                   +1 :              -0.00000089119547
                   +2 :              -0.00000389184208
             15 vec=    -2.802674     -4.854673     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00001986685143
                2s
                   +0 :               0.00019853220251
                3s
                   +0 :              -0.00001690782372
                2p
                   -1 :              -0.00002108856427
                   +0 :               0.00012305850177
                   +1 :              -0.00000015168995
                3p
                   -1 :              -0.00003902313838
                   +0 :               0.00002553896060
                   +1 :               0.00003059099904
                3d
                   -2 :              -0.00000336919858
                   -1 :              -0.00000881819140
                   +0 :               0.00000831972588
                   +1 :               0.00000738732759
                   +2 :              -0.00000021635893
WF             site_B          number of pairs
WF( 22)=[O_6_2pz]  to site O ( 30)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00032608195637
                2s
                   +0 :              -0.00323151901782
                3s
                   +0 :               0.00054562153467
                2p
                   -1 :              -0.00221291904053
                   +0 :               0.00244300964206
                   +1 :               0.00115808163609
                3p
                   -1 :              -0.00017305172110
                   +0 :              -0.00050205663775
                   +1 :               0.00001478469092
                3d
                   -2 :               0.00007487486930
                   -1 :               0.00017203056858
                   +0 :              -0.00000164734284
                   +1 :              -0.00007602473246
                   +2 :               0.00008278955154
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00058014966254
                2s
                   +0 :              -0.00563981703687
                3s
                   +0 :               0.00088419188704
                2p
                   -1 :               0.00282853563484
                   +0 :               0.00747049248651
                   +1 :               0.00345217180261
                3p
                   -1 :              -0.00074296084594
                   +0 :              -0.00139509346501
                   +1 :              -0.00045307869052
                3d
                   -2 :              -0.00018974169361
                   -1 :              -0.00013778949724
                   +0 :              -0.00019166666879
                   +1 :              -0.00027180931488
                   +2 :              -0.00004420829048
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00017920793819
                2s
                   +0 :              -0.00152655715303
                3s
                   +0 :              -0.00012676511102
                2p
                   -1 :              -0.00168988436801
                   +0 :               0.00059730259868
                   +1 :              -0.00146737626986
                3p
                   -1 :               0.00163840987875
                   +0 :               0.00102605428338
                   +1 :              -0.00034328735887
                3d
                   -2 :               0.00002475385117
                   -1 :              -0.00008763744874
                   +0 :              -0.00004448807964
                   +1 :               0.00022053896382
                   +2 :              -0.00003833302478
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001357379861
                2s
                   +0 :              -0.00005151762392
                3s
                   +0 :              -0.00003188121710
                2p
                   -1 :              -0.00050260627827
                   +0 :              -0.00039669056353
                   +1 :              -0.00019867720892
                3p
                   -1 :               0.00046331413386
                   +0 :               0.00018333513761
                   +1 :               0.00035391731222
                3d
                   -2 :              -0.00002751205991
                   -1 :              -0.00003225739107
                   +0 :              -0.00002891704653
                   +1 :              -0.00001044204719
                   +2 :              -0.00002575748352
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000250937062
                2s
                   +0 :              -0.00014539071101
                3s
                   +0 :              -0.00006180953526
                2p
                   -1 :              -0.00027028062749
                   +0 :              -0.00040456692877
                   +1 :              -0.00020195136277
                3p
                   -1 :               0.00011941517104
                   +0 :               0.00036438332228
                   +1 :               0.00014101760384
                3d
                   -2 :               0.00000247327968
                   -1 :              -0.00002159438914
                   +0 :              -0.00003025754621
                   +1 :               0.00000448112219
                   +2 :               0.00000917748574
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001189951697
                2s
                   +0 :              -0.00039631057552
                3s
                   +0 :               0.00004209004264
                2p
                   -1 :               0.00035254442313
                   +0 :              -0.00040528488421
                   +1 :              -0.00018444146071
                3p
                   -1 :              -0.00006131479332
                   +0 :               0.00016371086209
                   +1 :               0.00016929171737
                3d
                   -2 :              -0.00002375137647
                   -1 :               0.00001752041221
                   +0 :               0.00003394319224
                   +1 :              -0.00001595868253
                   +2 :               0.00001725885611
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00002624321674
                2s
                   +0 :               0.00013604872315
                3s
                   +0 :              -0.00010987339381
                2p
                   -1 :               0.00022637381884
                   +0 :              -0.00000956428013
                   +1 :              -0.00002256705666
                3p
                   -1 :              -0.00024866324708
                   +0 :               0.00002364399848
                   +1 :              -0.00003919039977
                3d
                   -2 :              -0.00001596191059
                   -1 :               0.00001031589286
                   +0 :               0.00002520826415
                   +1 :               0.00001230966138
                   +2 :               0.00000904839437
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000808094880
                2s
                   +0 :              -0.00000526426782
                3s
                   +0 :              -0.00002241369332
                2p
                   -1 :               0.00000811189821
                   +0 :               0.00010867411000
                   +1 :               0.00005228448031
                3p
                   -1 :              -0.00004397449169
                   +0 :              -0.00007734971026
                   +1 :              -0.00006740471927
                3d
                   -2 :               0.00000220808327
                   -1 :              -0.00000673330396
                   +0 :               0.00000002649907
                   +1 :              -0.00000335672509
                   +2 :               0.00000114470171
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000716137433
                2s
                   +0 :              -0.00003965682870
                3s
                   +0 :               0.00001596539398
                2p
                   -1 :              -0.00009481525678
                   +0 :              -0.00003196314518
                   +1 :               0.00003970060206
                3p
                   -1 :               0.00007132032763
                   +0 :               0.00001056581185
                   +1 :              -0.00001611109221
                3d
                   -2 :               0.00000019051487
                   -1 :              -0.00000505107774
                   +0 :               0.00000137688619
                   +1 :               0.00000253609428
                   +2 :              -0.00000087154447
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000072783513
                2s
                   +0 :               0.00000614118046
                3s
                   +0 :              -0.00002863362717
                2p
                   -1 :               0.00001997171683
                   +0 :              -0.00009071366090
                   +1 :               0.00010438553852
                3p
                   -1 :              -0.00001529384894
                   +0 :               0.00005577375638
                   +1 :              -0.00003314054408
                3d
                   -2 :              -0.00000349730701
                   -1 :               0.00000293831904
                   +0 :              -0.00001086806217
                   +1 :              -0.00000121315042
                   +2 :              -0.00000199541998
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001828175188
                2s
                   +0 :              -0.00018931724650
                3s
                   +0 :               0.00005796164501
                2p
                   -1 :               0.00003841125432
                   +0 :               0.00015222574449
                   +1 :              -0.00016844952894
                3p
                   -1 :               0.00005756732321
                   +0 :              -0.00011332082561
                   +1 :               0.00010484796287
                3d
                   -2 :              -0.00000744633991
                   -1 :               0.00001682244218
                   +0 :               0.00000738310367
                   +1 :              -0.00001292219236
                   +2 :               0.00002127132588
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000313838850
                2s
                   +0 :              -0.00006855668559
                3s
                   +0 :               0.00000310763434
                2p
                   -1 :               0.00017274972225
                   +0 :               0.00001292054787
                   +1 :              -0.00016259429611
                3p
                   -1 :              -0.00010559871334
                   +0 :               0.00000400172617
                   +1 :               0.00011953443200
                3d
                   -2 :              -0.00000713865972
                   -1 :              -0.00000271811258
                   +0 :               0.00000058373303
                   +1 :              -0.00000153577011
                   +2 :              -0.00000067656892
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000527260476
                2s
                   +0 :               0.00009759720918
                3s
                   +0 :               0.00000063193046
                2p
                   -1 :              -0.00008993353545
                   +0 :               0.00007742356716
                   +1 :              -0.00001508686569
                3p
                   -1 :               0.00010144933453
                   +0 :               0.00002561904434
                   +1 :               0.00003135501417
                3d
                   -2 :               0.00000217237888
                   -1 :               0.00000458787088
                   +0 :              -0.00000331163546
                   +1 :               0.00000515050588
                   +2 :              -0.00000640468794
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00003426807211
                2s
                   +0 :               0.00028611388829
                3s
                   +0 :              -0.00007601781288
                2p
                   -1 :               0.00000592431386
                   +0 :               0.00015644227047
                   +1 :               0.00005240799882
                3p
                   -1 :               0.00003410058700
                   +0 :              -0.00005180068283
                   +1 :              -0.00005212709862
                3d
                   -2 :              -0.00000647770318
                   -1 :               0.00000349417630
                   +0 :              -0.00000444937333
                   +1 :              -0.00000267896033
                   +2 :               0.00000214707744
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00003577616614
                2s
                   +0 :               0.00031500271558
                3s
                   +0 :              -0.00006099002734
                2p
                   -1 :              -0.00008296052278
                   +0 :               0.00015804570868
                   +1 :              -0.00002022961907
                3p
                   -1 :               0.00002156776084
                   +0 :               0.00002705245797
                   +1 :              -0.00001978266606
                3d
                   -2 :              -0.00000183903591
                   -1 :              -0.00000283214503
                   +0 :               0.00000776571730
                   +1 :              -0.00000933922688
                   +2 :               0.00000398397862
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al(  1)  npairs=  13
              1 vec=     0.000000      2.752623     -9.763049   |vec|=   10.143671
                2s
                   +0 :               0.00013440911067
                2p
                   -1 :              -0.00012945640838
                   +0 :               0.00007484559610
                   +1 :              -0.00001301480244
                3s
                   +0 :              -0.00081232627373
                4s
                   +0 :               0.00029277963258
                3p
                   -1 :               0.00059404622687
                   +0 :              -0.00005372324498
                   +1 :              -0.00020936543299
                4p
                   -1 :              -0.00023543357527
                   +0 :              -0.00007802998023
                   +1 :               0.00000953725750
                3d
                   -2 :              -0.00000923804317
                   -1 :              -0.00004971497848
                   +0 :               0.00009705180581
                   +1 :               0.00002461577495
                   +2 :               0.00006885694049
              2 vec=     0.000000     -6.231135     -9.763049   |vec|=   11.582062
                2s
                   +0 :               0.00019572979082
                2p
                   -1 :              -0.00030203952182
                   +0 :               0.00001333097642
                   +1 :               0.00035457469235
                3s
                   +0 :              -0.00054824852408
                4s
                   +0 :               0.00013178743453
                3p
                   -1 :               0.00157839662068
                   +0 :              -0.00004398638533
                   +1 :              -0.00154364204670
                4p
                   -1 :              -0.00045475738002
                   +0 :              -0.00010302860094
                   +1 :               0.00035793484647
                3d
                   -2 :              -0.00005779978986
                   -1 :              -0.00014221500060
                   +0 :               0.00014589462783
                   +1 :               0.00037906262611
                   +2 :               0.00003776410734
              3 vec=    -7.780163     -1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :               0.00006200794846
                2p
                   -1 :               0.00024196744803
                   +0 :               0.00010545919800
                   +1 :               0.00024697841661
                3s
                   +0 :              -0.00159137557355
                4s
                   +0 :               0.00002511778937
                3p
                   -1 :              -0.00006223132583
                   +0 :              -0.00023839718628
                   +1 :               0.00009067875300
                4p
                   -1 :               0.00004806807271
                   +0 :               0.00031230364222
                   +1 :               0.00020691603953
                3d
                   -2 :              -0.00041048628931
                   -1 :               0.00001379528956
                   +0 :               0.00023103678015
                   +1 :               0.00000009981410
                   +2 :               0.00001924335562
              4 vec=     7.780163     -1.739256     -9.763049   |vec|=   12.604486
                2s
                   +0 :              -0.00001306756395
                2p
                   -1 :               0.00007548537094
                   +0 :              -0.00001914364611
                   +1 :               0.00015040799850
                3s
                   +0 :               0.00133003483737
                4s
                   +0 :              -0.00016473154674
                3p
                   -1 :              -0.00086627881221
                   +0 :              -0.00019849233044
                   +1 :               0.00039744036687
                4p
                   -1 :               0.00027822048963
                   +0 :               0.00000124005075
                   +1 :               0.00018031436481
                3d
                   -2 :              -0.00008872945247
                   -1 :              -0.00004179278037
                   +0 :              -0.00014578667273
                   +1 :              -0.00009546821312
                   +2 :               0.00014928011822
              5 vec=    -7.780163      7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :               0.00010774263728
                2p
                   -1 :               0.00008135372645
                   +0 :              -0.00003423950135
                   +1 :              -0.00003429239250
                3s
                   +0 :              -0.00039436242756
                4s
                   +0 :               0.00010740175588
                3p
                   -1 :              -0.00049638630515
                   +0 :               0.00021166037800
                   +1 :               0.00021252883454
                4p
                   -1 :               0.00005694919593
                   +0 :              -0.00006476475045
                   +1 :              -0.00009279170123
                3d
                   -2 :               0.00010711000012
                   -1 :               0.00013390511023
                   +0 :               0.00003604749988
                   +1 :              -0.00004687060263
                   +2 :               0.00006319185728
              6 vec=     7.780163      7.244502     -9.763049   |vec|=   14.433671
                2s
                   +0 :              -0.00004053389502
                2p
                   -1 :              -0.00013356369854
                   +0 :               0.00003378525826
                   +1 :               0.00003207859242
                3s
                   +0 :               0.00022483225064
                4s
                   +0 :              -0.00007943642156
                3p
                   -1 :               0.00069119670863
                   +0 :              -0.00025682099568
                   +1 :              -0.00032886612870
                4p
                   -1 :              -0.00010633291492
                   +0 :               0.00010128020825
                   +1 :               0.00006065399036
                3d
                   -2 :               0.00003337558532
                   -1 :              -0.00013743859142
                   +0 :               0.00001788865858
                   +1 :               0.00005139871816
                   +2 :              -0.00014412070867
              7 vec=     0.000000      2.752623     14.784494   |vec|=   15.038557
                2s
                   +0 :              -0.00005700862315
                2p
                   -1 :              -0.00000749470919
                   +0 :              -0.00002416745628
                   +1 :              -0.00001720180484
                3s
                   +0 :               0.00025022873310
                4s
                   +0 :              -0.00009026248775
                3p
                   -1 :               0.00006523801299
                   +0 :               0.00012363249217
                   +1 :               0.00011716300161
                4p
                   -1 :              -0.00000185545564
                   +0 :              -0.00003838641412
                   +1 :              -0.00002545739937
                3d
                   -2 :              -0.00004184062950
                   -1 :               0.00001770866108
                   +0 :               0.00002987633702
                   +1 :               0.00002683000801
                   +2 :               0.00003228151934
              8 vec=     0.000000     11.736381     -9.763049   |vec|=   15.266295
                2s
                   +0 :               0.00008431480258
                2p
                   -1 :               0.00006452834822
                   +0 :              -0.00002480350272
                   +1 :              -0.00002873463759
                3s
                   +0 :              -0.00016141951234
                4s
                   +0 :               0.00005226535021
                3p
                   -1 :              -0.00022265277006
                   +0 :               0.00006465836346
                   +1 :               0.00019554509142
                4p
                   -1 :               0.00005097155744
                   +0 :              -0.00002563780139
                   +1 :              -0.00003068085101
                3d
                   -2 :              -0.00000914527376
                   -1 :               0.00001024533530
                   +0 :               0.00001260084318
                   +1 :              -0.00000993188693
                   +2 :               0.00005744779928
              9 vec=     0.000000     -6.231135     14.784494   |vec|=   16.043949
                2s
                   +0 :               0.00001159923172
                2p
                   -1 :               0.00000682735816
                   +0 :              -0.00001151258787
                   +1 :              -0.00005989346467
                3s
                   +0 :               0.00009449234134
                4s
                   +0 :              -0.00005689708245
                3p
                   -1 :              -0.00011453706240
                   +0 :               0.00014421018536
                   +1 :               0.00029419161223
                4p
                   -1 :               0.00004245254981
                   +0 :              -0.00005021891269
                   +1 :              -0.00006799594136
                3d
                   -2 :              -0.00001027023369
                   -1 :              -0.00003455970573
                   +0 :               0.00006694489931
                   +1 :               0.00005103769738
                   +2 :               0.00003220993147
             10 vec=    -7.780163    -10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00001309725751
                2p
                   -1 :               0.00004726005240
                   +0 :               0.00000881124480
                   +1 :               0.00004476202688
                3s
                   +0 :              -0.00001473656381
                4s
                   +0 :              -0.00001971358078
                3p
                   -1 :              -0.00019691821485
                   +0 :              -0.00004775932924
                   +1 :              -0.00014513603571
                4p
                   -1 :               0.00007097030788
                   +0 :               0.00000824007981
                   +1 :               0.00001880907079
                3d
                   -2 :               0.00001796859527
                   -1 :               0.00002478877665
                   +0 :               0.00001696957911
                   +1 :               0.00002304836749
                   +2 :              -0.00007217690789
             11 vec=     7.780163    -10.723014     -9.763049   |vec|=   16.456946
                2s
                   +0 :              -0.00000509825134
                2p
                   -1 :              -0.00001059360910
                   +0 :               0.00000185156799
                   +1 :               0.00001515379933
                3s
                   +0 :               0.00013908648560
                4s
                   +0 :              -0.00006760589458
                3p
                   -1 :              -0.00004244106565
                   +0 :              -0.00005085147149
                   +1 :              -0.00003292053185
                4p
                   -1 :               0.00004087779913
                   +0 :               0.00004147585755
                   +1 :               0.00001091781155
                3d
                   -2 :               0.00001137877019
                   -1 :              -0.00002145051944
                   +0 :              -0.00001812799671
                   +1 :              -0.00000420165157
                   +2 :               0.00002974185419
             12 vec=    -7.780163     -1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00009959662063
                2p
                   -1 :               0.00002016197710
                   +0 :               0.00004081552368
                   +1 :              -0.00001020930227
                3s
                   +0 :              -0.00026886321155
                4s
                   +0 :               0.00006904693130
                3p
                   -1 :              -0.00005698757422
                   +0 :              -0.00016210297854
                   +1 :               0.00004583655154
                4p
                   -1 :               0.00001031175072
                   +0 :               0.00003293744898
                   +1 :               0.00001538774733
                3d
                   -2 :               0.00006617666038
                   -1 :              -0.00001384808764
                   +0 :              -0.00001032811650
                   +1 :              -0.00000484722849
                   +2 :               0.00001280367497
             13 vec=     7.780163     -1.739256     14.784494   |vec|=   16.796940
                2s
                   +0 :               0.00003307481471
                2p
                   -1 :               0.00006193984513
                   +0 :               0.00001783982420
                   +1 :               0.00002968705992
                3s
                   +0 :              -0.00014633326848
                4s
                   +0 :               0.00008063417496
                3p
                   -1 :              -0.00035556373059
                   +0 :              -0.00013076322295
                   +1 :              -0.00014507849663
                4p
                   -1 :               0.00006613763284
                   +0 :               0.00004632125404
                   +1 :               0.00004276038754
                3d
                   -2 :               0.00005638693008
                   -1 :              -0.00004581599309
                   +0 :              -0.00002493285744
                   +1 :              -0.00007397568985
                   +2 :              -0.00003818692197
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al(  2)  npairs=  14
              1 vec=     0.000000      2.752623     -2.510723   |vec|=    3.725676
                2s
                   +0 :               0.00302567085978
                2p
                   -1 :               0.00216177063462
                   +0 :              -0.00072824384446
                   +1 :              -0.00309805198830
                3s
                   +0 :               0.00506343961493
                4s
                   +0 :               0.00315107234908
                3p
                   -1 :               0.00054563394879
                   +0 :              -0.00104607980606
                   +1 :              -0.02684383683294
                4p
                   -1 :               0.00289801898221
                   +0 :              -0.00147163619782
                   +1 :               0.00130676070312
                3d
                   -2 :              -0.02222670315075
                   -1 :              -0.00247613451124
                   +0 :              -0.00109258390056
                   +1 :               0.01859744649451
                   +2 :              -0.00356828178485
              2 vec=     0.000000     -6.231135     -2.510723   |vec|=    6.717944
                2s
                   +0 :               0.00356651635273
                2p
                   -1 :              -0.00201166149194
                   +0 :              -0.00097325036509
                   +1 :               0.00075996284696
                3s
                   +0 :              -0.01779356275188
                4s
                   +0 :               0.00802972099815
                3p
                   -1 :               0.01166304213513
                   +0 :               0.00796546582090
                   +1 :              -0.00316336808330
                4p
                   -1 :              -0.00374796848922
                   +0 :              -0.00264524357019
                   +1 :               0.00096765633188
                3d
                   -2 :              -0.00151282909468
                   -1 :              -0.00162510308843
                   +0 :              -0.00071201822250
                   +1 :               0.00188831354189
                   +2 :               0.00040545338410
              3 vec=    -7.780163     -1.739256     -2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00119233045948
                2p
                   -1 :              -0.00074400685975
                   +0 :              -0.00066498271453
                   +1 :              -0.00054534724924
                3s
                   +0 :              -0.00852201128381
                4s
                   +0 :               0.00010112207354
                3p
                   -1 :               0.00766214866806
                   +0 :               0.00893621844854
                   +1 :               0.00042094108273
                4p
                   -1 :              -0.00146831117000
                   +0 :              -0.00089606002487
                   +1 :               0.00100824162681
                3d
                   -2 :              -0.00097007090077
                   -1 :              -0.00225474668568
                   +0 :              -0.00178855665951
                   +1 :              -0.00075286439012
                   +2 :               0.00202302815621
              4 vec=     7.780163     -1.739256     -2.510723   |vec|=    8.358210
                2s
                   +0 :               0.00089441128155
                2p
                   -1 :              -0.00012481633029
                   +0 :               0.00033346009280
                   +1 :               0.00102163677636
                3s
                   +0 :               0.00166038894211
                4s
                   +0 :               0.00100050179410
                3p
                   -1 :              -0.00114909787043
                   +0 :              -0.00664627925535
                   +1 :              -0.00563976025843
                4p
                   -1 :              -0.00092458025153
                   +0 :               0.00047812476877
                   +1 :               0.00160865323255
                3d
                   -2 :               0.00004466144255
                   -1 :               0.00188170294147
                   +0 :               0.00333460347559
                   +1 :              -0.00076667724185
                   +2 :              -0.00204931393294
              5 vec=    -7.780163      7.244502     -2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00015552002444
                2p
                   -1 :               0.00019291637913
                   +0 :              -0.00002331397984
                   +1 :               0.00006011938187
                3s
                   +0 :              -0.00001723596897
                4s
                   +0 :              -0.00020072109644
                3p
                   -1 :              -0.00112120391563
                   +0 :               0.00031523877717
                   +1 :               0.00012301603126
                4p
                   -1 :               0.00023216071908
                   +0 :              -0.00005416524752
                   +1 :              -0.00001369343801
                3d
                   -2 :               0.00027003041498
                   -1 :              -0.00006557444062
                   +0 :               0.00013058115344
                   +1 :              -0.00038587670608
                   +2 :               0.00027155706942
              6 vec=     7.780163      7.244502     -2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00057098351106
                2p
                   -1 :               0.00033982236689
                   +0 :              -0.00010041846886
                   +1 :               0.00020626870951
                3s
                   +0 :              -0.00017954648773
                4s
                   +0 :              -0.00009895677910
                3p
                   -1 :              -0.00068418741649
                   +0 :               0.00063468079997
                   +1 :               0.00028127111923
                4p
                   -1 :              -0.00001778520601
                   +0 :              -0.00018137718069
                   +1 :              -0.00015140616482
                3d
                   -2 :               0.00005120630564
                   -1 :               0.00005804757160
                   +0 :               0.00022004897615
                   +1 :              -0.00014879815762
                   +2 :               0.00006941869626
              7 vec=     0.000000     11.736381     -2.510723   |vec|=   12.001932
                2s
                   +0 :               0.00012960034884
                2p
                   -1 :              -0.00001441571354
                   +0 :               0.00008424261821
                   +1 :               0.00001662247203
                3s
                   +0 :              -0.00033659832824
                4s
                   +0 :               0.00002300502197
                3p
                   -1 :               0.00009422439111
                   +0 :              -0.00030871280277
                   +1 :               0.00010263524503
                4p
                   -1 :              -0.00005071619287
                   +0 :               0.00003302071849
                   +1 :               0.00011683915916
                3d
                   -2 :               0.00034879084044
                   -1 :              -0.00003051984060
                   +0 :               0.00008882090497
                   +1 :              -0.00018424547891
                   +2 :              -0.00017508854869
              8 vec=    -7.780163    -10.723014     -2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00002192431983
                2p
                   -1 :              -0.00020160634846
                   +0 :               0.00015322286413
                   +1 :               0.00023572212382
                3s
                   +0 :              -0.00046701694215
                4s
                   +0 :               0.00001626519205
                3p
                   -1 :               0.00113566670219
                   +0 :              -0.00010558255985
                   +1 :              -0.00089207394976
                4p
                   -1 :              -0.00029935963302
                   +0 :              -0.00001513490380
                   +1 :               0.00030320989087
                3d
                   -2 :              -0.00002152045950
                   -1 :              -0.00002029383565
                   +0 :               0.00005917899487
                   +1 :               0.00000094281130
                   +2 :               0.00040370926533
              9 vec=     7.780163    -10.723014     -2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00011003677261
                2p
                   -1 :              -0.00002448980160
                   +0 :               0.00009160396390
                   +1 :              -0.00008640221397
                3s
                   +0 :               0.00103923551566
                4s
                   +0 :              -0.00029828669264
                3p
                   -1 :              -0.00000360084342
                   +0 :              -0.00085956881647
                   +1 :               0.00082776240588
                4p
                   -1 :               0.00005290762572
                   +0 :               0.00016070170452
                   +1 :              -0.00017260065316
                3d
                   -2 :              -0.00015529515631
                   -1 :               0.00019260649446
                   +0 :               0.00015822481055
                   +1 :              -0.00021143150436
                   +2 :               0.00014407968376
             10 vec=     0.000000    -15.214893     -2.510723   |vec|=   15.420658
                2s
                   +0 :              -0.00006167297837
                2p
                   -1 :               0.00003293256416
                   +0 :               0.00003053111757
                   +1 :              -0.00001626009378
                3s
                   +0 :               0.00020173363127
                4s
                   +0 :              -0.00004856019832
                3p
                   -1 :              -0.00011605185376
                   +0 :              -0.00020083072880
                   +1 :               0.00004717069408
                4p
                   -1 :               0.00001727142650
                   +0 :               0.00007226154713
                   +1 :               0.00000202974891
                3d
                   -2 :              -0.00000187092753
                   -1 :               0.00003734832483
                   +0 :              -0.00003473467117
                   +1 :               0.00001268199516
                   +2 :               0.00001812135192
             11 vec=   -15.560325      2.752623     -2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00002315290051
                2p
                   -1 :               0.00004952837553
                   +0 :               0.00004281266107
                   +1 :              -0.00004185568098
                3s
                   +0 :              -0.00013574088859
                4s
                   +0 :               0.00013899206862
                3p
                   -1 :              -0.00021282206548
                   +0 :              -0.00018246231276
                   +1 :               0.00022676800437
                4p
                   -1 :               0.00006652029876
                   +0 :               0.00002710524133
                   +1 :              -0.00011358580647
                3d
                   -2 :               0.00002514214164
                   -1 :               0.00005456831131
                   +0 :              -0.00000536220825
                   +1 :               0.00003813804620
                   +2 :              -0.00005734022261
             12 vec=    15.560325      2.752623     -2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00004338763806
                2p
                   -1 :              -0.00002933844483
                   +0 :              -0.00004462282201
                   +1 :              -0.00005670123448
                3s
                   +0 :               0.00018130777389
                4s
                   +0 :              -0.00006993799940
                3p
                   -1 :               0.00018402394161
                   +0 :               0.00024932616657
                   +1 :               0.00020809976110
                4p
                   -1 :              -0.00005237868155
                   +0 :              -0.00004869168827
                   +1 :              -0.00007489799873
                3d
                   -2 :               0.00002910225437
                   -1 :               0.00000904060471
                   +0 :              -0.00003118431307
                   +1 :               0.00003203868533
                   +2 :              -0.00002238889285
             13 vec=   -15.560325     -6.231135     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00003361963997
                2p
                   -1 :               0.00001322149885
                   +0 :               0.00000537336157
                   +1 :              -0.00001467433998
                3s
                   +0 :              -0.00023206175576
                4s
                   +0 :               0.00010287352494
                3p
                   -1 :              -0.00001803783301
                   +0 :               0.00004662086503
                   +1 :               0.00008871673366
                4p
                   -1 :              -0.00003670998979
                   +0 :              -0.00001236838391
                   +1 :              -0.00002223045337
                3d
                   -2 :              -0.00001686005680
                   -1 :              -0.00001340076660
                   +0 :              -0.00002183348187
                   +1 :              -0.00002106495955
                   +2 :              -0.00001310046671
             14 vec=    15.560325     -6.231135     -2.510723   |vec|=   16.948584
                2s
                   +0 :               0.00006692111272
                2p
                   -1 :              -0.00000098685289
                   +0 :              -0.00002950745028
                   +1 :               0.00004047876608
                3s
                   +0 :              -0.00014539199002
                4s
                   +0 :               0.00007370658930
                3p
                   -1 :               0.00003758460308
                   +0 :               0.00010735786322
                   +1 :              -0.00015593391396
                4p
                   -1 :              -0.00001662664353
                   +0 :              -0.00004460706500
                   +1 :               0.00004148131005
                3d
                   -2 :              -0.00000178488837
                   -1 :              -0.00004502734035
                   +0 :              -0.00000889173573
                   +1 :              -0.00000204193207
                   +2 :               0.00001146435394
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Cr(  3)  npairs=  13
              1 vec=     0.000000      2.752623      9.763049   |vec|=   10.143671
                3s
                   +0 :               0.00018095334949
                3p
                   -1 :              -0.00009236984596
                   +0 :              -0.00018579949009
                   +1 :               0.00008089004963
                4s
                   +0 :              -0.00067720589053
                5s
                   +0 :               0.00011370394047
                3d
                   -2 :              -0.00054195166240
                   -1 :              -0.00009476273028
                   +0 :              -0.00018402322970
                   +1 :               0.00018852157549
                   +2 :              -0.00026294776324
                4d
                   -2 :               0.00017386006697
                   -1 :               0.00002445312933
                   +0 :               0.00008790798816
                   +1 :               0.00005867125214
                   +2 :               0.00012471520420
                4p
                   -1 :               0.00004405580136
                   +0 :               0.00015755091943
                   +1 :               0.00016197744081
              2 vec=     0.000000     -6.231135      9.763049   |vec|=   11.582062
                3s
                   +0 :               0.00023104002997
                3p
                   -1 :              -0.00022323717616
                   +0 :              -0.00009363124528
                   +1 :              -0.00038904028763
                4s
                   +0 :              -0.00036920327960
                5s
                   +0 :              -0.00000247897725
                3d
                   -2 :              -0.00032670287858
                   -1 :              -0.00013075921032
                   +0 :              -0.00000278961945
                   +1 :               0.00022667462936
                   +2 :              -0.00043154640400
                4d
                   -2 :               0.00000120782206
                   -1 :               0.00007407197898
                   +0 :               0.00012407310175
                   +1 :               0.00036883851033
                   +2 :               0.00016510186327
                4p
                   -1 :               0.00044879707492
                   +0 :               0.00021125458640
                   +1 :               0.00068358875347
              3 vec=    -7.780163     -1.739256      9.763049   |vec|=   12.604486
                3s
                   +0 :               0.00028945586430
                3p
                   -1 :              -0.00017094018082
                   +0 :               0.00012162702758
                   +1 :              -0.00037944156096
                4s
                   +0 :               0.00021353787078
                5s
                   +0 :               0.00003108836964
                3d
                   -2 :               0.00023838500392
                   -1 :              -0.00018466094964
                   +0 :              -0.00048864694779
                   +1 :              -0.00046728483274
                   +2 :               0.00096951734712
                4d
                   -2 :               0.00000099376637
                   -1 :               0.00010494895051
                   +0 :              -0.00005072553931
                   +1 :               0.00008103671136
                   +2 :              -0.00014183861875
                4p
                   -1 :               0.00001451950038
                   +0 :              -0.00000993945858
                   +1 :              -0.00014646830893
              4 vec=     7.780163     -1.739256      9.763049   |vec|=   12.604486
                3s
                   +0 :              -0.00012690770652
                3p
                   -1 :               0.00058735425837
                   +0 :              -0.00010207662490
                   +1 :              -0.00048469273505
                4s
                   +0 :              -0.00071227955044
                5s
                   +0 :              -0.00003131336921
                3d
                   -2 :               0.00063564202295
                   -1 :               0.00055761142348
                   +0 :               0.00023008976007
                   +1 :              -0.00053613245134
                   +2 :              -0.00043053044573
                4d
                   -2 :               0.00019262887604
                   -1 :              -0.00023940167216
                   +0 :               0.00004459631305
                   +1 :               0.00000440187099
                   +2 :               0.00017759015687
                4p
                   -1 :              -0.00035036976373
                   +0 :              -0.00019023271386
                   +1 :              -0.00010801753477
              5 vec=    -7.780163      7.244502      9.763049   |vec|=   14.433671
                3s
                   +0 :              -0.00005872561268
                3p
                   -1 :              -0.00019074527321
                   +0 :               0.00000261201531
                   +1 :              -0.00002433042445
                4s
                   +0 :               0.00017180903273
                5s
                   +0 :              -0.00001986928376
                3d
                   -2 :               0.00029160653538
                   -1 :               0.00006462398068
                   +0 :              -0.00014447779108
                   +1 :               0.00002124011822
                   +2 :              -0.00020700158729
                4d
                   -2 :              -0.00008465502847
                   -1 :               0.00018755672846
                   +0 :               0.00000590876341
                   +1 :               0.00008191059790
                   +2 :              -0.00014881964116
                4p
                   -1 :               0.00044417338765
                   +0 :               0.00002161202797
                   +1 :               0.00016023499307
              6 vec=     7.780163      7.244502      9.763049   |vec|=   14.433671
                3s
                   +0 :               0.00010425660454
                3p
                   -1 :               0.00009533527367
                   +0 :               0.00002132730712
                   +1 :               0.00000990518168
                4s
                   +0 :              -0.00023223279601
                5s
                   +0 :               0.00001612464849
                3d
                   -2 :              -0.00006547076037
                   -1 :              -0.00012756461172
                   +0 :               0.00008888018639
                   +1 :               0.00000434368060
                   +2 :               0.00027135773453
                4d
                   -2 :              -0.00008530461597
                   -1 :              -0.00017238606461
                   +0 :              -0.00000576617199
                   +1 :              -0.00002695904048
                   +2 :               0.00006005122662
                4p
                   -1 :              -0.00029926496464
                   +0 :              -0.00006131478832
                   +1 :              -0.00002320574762
              7 vec=     0.000000      2.752623    -14.784494   |vec|=   15.038557
                3s
                   +0 :              -0.00002158183894
                3p
                   -1 :               0.00000944593095
                   +0 :               0.00001876484763
                   +1 :              -0.00000354899894
                4s
                   +0 :               0.00008620464037
                5s
                   +0 :              -0.00002419424401
                3d
                   -2 :               0.00016746911662
                   -1 :              -0.00008044111159
                   +0 :              -0.00004416334709
                   +1 :              -0.00004053486016
                   +2 :               0.00006174110906
                4d
                   -2 :               0.00000975197162
                   -1 :              -0.00000562290645
                   +0 :               0.00002124962860
                   +1 :              -0.00000620309963
                   +2 :               0.00003469035616
                4p
                   -1 :              -0.00000195554305
                   +0 :              -0.00002747531812
                   +1 :              -0.00005980146460
              8 vec=     0.000000     11.736381      9.763049   |vec|=   15.266295
                3s
                   +0 :               0.00016629394891
                3p
                   -1 :               0.00012524363726
                   +0 :               0.00004505348564
                   +1 :               0.00003555636396
                4s
                   +0 :              -0.00027145246849
                5s
                   +0 :               0.00002436518063
                3d
                   -2 :              -0.00015534163907
                   -1 :               0.00013324575245
                   +0 :               0.00000238562162
                   +1 :              -0.00003893876867
                   +2 :              -0.00013034287065
                4d
                   -2 :               0.00004975518973
                   -1 :              -0.00005489585716
                   +0 :               0.00002071650483
                   +1 :              -0.00000473034137
                   +2 :               0.00009346956579
                4p
                   -1 :              -0.00018566749820
                   +0 :              -0.00004978181212
                   +1 :              -0.00008855723929
              9 vec=     0.000000     -6.231135    -14.784494   |vec|=   16.043949
                3s
                   +0 :               0.00007947737798
                3p
                   -1 :               0.00000134063208
                   +0 :              -0.00001008133579
                   +1 :               0.00005818307060
                4s
                   +0 :              -0.00007589530035
                5s
                   +0 :              -0.00001440460077
                3d
                   -2 :              -0.00004636977926
                   -1 :              -0.00003893497318
                   +0 :              -0.00005237594060
                   +1 :               0.00001620856930
                   +2 :              -0.00003266495310
                4d
                   -2 :              -0.00002183888267
                   -1 :               0.00003163680616
                   +0 :               0.00004024213482
                   +1 :               0.00002261094246
                   +2 :               0.00003667758358
                4p
                   -1 :              -0.00001271604086
                   +0 :              -0.00001234670695
                   +1 :              -0.00010525309184
             10 vec=    -7.780163    -10.723014      9.763049   |vec|=   16.456946
                3s
                   +0 :               0.00001177232289
                3p
                   -1 :              -0.00005355697592
                   +0 :               0.00003398865277
                   +1 :              -0.00003588785075
                4s
                   +0 :               0.00006268098068
                5s
                   +0 :              -0.00002227556233
                3d
                   -2 :               0.00009111001122
                   -1 :              -0.00005818324727
                   +0 :              -0.00005683491393
                   +1 :              -0.00006402237075
                   +2 :               0.00009369367800
                4d
                   -2 :              -0.00000542401544
                   -1 :               0.00002870758917
                   +0 :              -0.00001626310469
                   +1 :              -0.00000460334733
                   +2 :               0.00000682153941
                4p
                   -1 :               0.00005449039854
                   +0 :              -0.00004367259367
                   +1 :               0.00003240812052
             11 vec=     7.780163    -10.723014      9.763049   |vec|=   16.456946
                3s
                   +0 :              -0.00002173602475
                3p
                   -1 :               0.00004560847587
                   +0 :              -0.00002119808451
                   +1 :              -0.00009674434970
                4s
                   +0 :               0.00000213200489
                5s
                   +0 :              -0.00000425001670
                3d
                   -2 :               0.00013301821929
                   -1 :               0.00006919409227
                   +0 :               0.00004292205293
                   +1 :              -0.00008426542767
                   +2 :               0.00007472952884
                4d
                   -2 :              -0.00004858702044
                   -1 :              -0.00002441432424
                   +0 :               0.00003007827283
                   +1 :               0.00007337057069
                   +2 :              -0.00007045614391
                4p
                   -1 :              -0.00003966926003
                   +0 :               0.00004435502997
                   +1 :               0.00014859738212
             12 vec=    -7.780163     -1.739256    -14.784494   |vec|=   16.796940
                3s
                   +0 :              -0.00006223872434
                3p
                   -1 :               0.00005181633739
                   +0 :               0.00002154419503
                   +1 :              -0.00001798801058
                4s
                   +0 :               0.00005696822340
                5s
                   +0 :               0.00002438833121
                3d
                   -2 :              -0.00002150588611
                   -1 :               0.00003726955916
                   +0 :              -0.00005715597160
                   +1 :              -0.00001203992883
                   +2 :              -0.00008224540970
                4d
                   -2 :              -0.00001081995907
                   -1 :               0.00002864969695
                   +0 :              -0.00006032482404
                   +1 :              -0.00005942322002
                   +2 :              -0.00001430389410
                4p
                   -1 :              -0.00010302211505
                   +0 :               0.00005773215765
                   +1 :               0.00007602760262
             13 vec=     7.780163     -1.739256    -14.784494   |vec|=   16.796940
                3s
                   +0 :               0.00015423893588
                3p
                   -1 :               0.00002538234392
                   +0 :              -0.00006867444901
                   +1 :               0.00000841998856
                4s
                   +0 :              -0.00024995813438
                5s
                   +0 :               0.00000584209635
                3d
                   -2 :              -0.00002161174856
                   -1 :              -0.00000164837409
                   +0 :               0.00011360173684
                   +1 :              -0.00006451627001
                   +2 :               0.00003720554402
                4d
                   -2 :              -0.00004218266347
                   -1 :               0.00000109115417
                   +0 :               0.00002006525014
                   +1 :               0.00001454778291
                   +2 :              -0.00002980048510
                4p
                   -1 :              -0.00006503680477
                   +0 :               0.00006101670924
                   +1 :              -0.00001449178007
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al(  4)  npairs=  14
              1 vec=     0.000000      2.752623      2.510723   |vec|=    3.725676
                2s
                   +0 :              -0.00303436872195
                2p
                   -1 :              -0.00215833730388
                   +0 :              -0.00073755542063
                   +1 :              -0.00310214585351
                3s
                   +0 :              -0.00499870414451
                4s
                   +0 :              -0.00316734963032
                3p
                   -1 :              -0.00054376653194
                   +0 :              -0.00100449705762
                   +1 :              -0.02663854299920
                4p
                   -1 :              -0.00290674920761
                   +0 :              -0.00147952787287
                   +1 :               0.00129240461542
                3d
                   -2 :              -0.02210754872035
                   -1 :              -0.00246297146571
                   +0 :               0.00108084416395
                   +1 :              -0.01853071730235
                   +2 :               0.00356895668739
              2 vec=     0.000000     -6.231135      2.510723   |vec|=    6.717944
                2s
                   +0 :              -0.00358345056332
                2p
                   -1 :               0.00201460471665
                   +0 :              -0.00096782946070
                   +1 :               0.00076478689188
                3s
                   +0 :               0.01783234329688
                4s
                   +0 :              -0.00803768420484
                3p
                   -1 :              -0.01166307508501
                   +0 :               0.00794716134716
                   +1 :              -0.00317729298376
                4p
                   -1 :               0.00374377098064
                   +0 :              -0.00264540328826
                   +1 :               0.00096244920008
                3d
                   -2 :              -0.00149059491341
                   -1 :              -0.00162723151644
                   +0 :               0.00070851092141
                   +1 :              -0.00186907063337
                   +2 :              -0.00041152531122
              3 vec=    -7.780163     -1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00088448732082
                2p
                   -1 :               0.00011491341313
                   +0 :               0.00032959682475
                   +1 :               0.00102617413237
                3s
                   +0 :              -0.00167711125481
                4s
                   +0 :              -0.00098587753278
                3p
                   -1 :               0.00118949700860
                   +0 :              -0.00661876454481
                   +1 :              -0.00564652249644
                4p
                   -1 :               0.00091442219464
                   +0 :               0.00047175903718
                   +1 :               0.00160527987187
                3d
                   -2 :               0.00002854182323
                   -1 :               0.00187436848049
                   +0 :              -0.00334056743811
                   +1 :               0.00076793686417
                   +2 :               0.00204533337525
              4 vec=     7.780163     -1.739256      2.510723   |vec|=    8.358210
                2s
                   +0 :              -0.00118564430052
                2p
                   -1 :               0.00074460571088
                   +0 :              -0.00065732285941
                   +1 :              -0.00054161956767
                3s
                   +0 :               0.00849196982191
                4s
                   +0 :              -0.00010918816524
                3p
                   -1 :              -0.00765720582811
                   +0 :               0.00888026720661
                   +1 :               0.00041466515395
                4p
                   -1 :               0.00147073228060
                   +0 :              -0.00087899067020
                   +1 :               0.00100584854870
                3d
                   -2 :              -0.00097303845459
                   -1 :              -0.00225973139207
                   +0 :               0.00181643063755
                   +1 :               0.00075505759752
                   +2 :              -0.00202352550868
              5 vec=    -7.780163      7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :              -0.00056350878384
                2p
                   -1 :              -0.00034249812773
                   +0 :              -0.00009930003930
                   +1 :               0.00020324775624
                3s
                   +0 :               0.00018544332958
                4s
                   +0 :               0.00010607227928
                3p
                   -1 :               0.00070515975334
                   +0 :               0.00062266547320
                   +1 :               0.00028342352367
                4p
                   -1 :               0.00001133428107
                   +0 :              -0.00017896145977
                   +1 :              -0.00015646659004
                3d
                   -2 :               0.00005299111053
                   -1 :               0.00005778205909
                   +0 :              -0.00021993400520
                   +1 :               0.00015084734319
                   +2 :              -0.00006327998694
              6 vec=     7.780163      7.244502      2.510723   |vec|=   10.923254
                2s
                   +0 :               0.00015087467332
                2p
                   -1 :              -0.00019314734584
                   +0 :              -0.00002196918886
                   +1 :               0.00005727497838
                3s
                   +0 :               0.00001263036460
                4s
                   +0 :               0.00019349088063
                3p
                   -1 :               0.00112020000534
                   +0 :               0.00030899089272
                   +1 :               0.00012443580052
                4p
                   -1 :              -0.00022865885400
                   +0 :              -0.00005338048931
                   +1 :              -0.00001572921324
                3d
                   -2 :               0.00027021728927
                   -1 :              -0.00006655044630
                   +0 :              -0.00012498872173
                   +1 :               0.00037720894742
                   +2 :              -0.00027892600057
              7 vec=     0.000000     11.736381      2.510723   |vec|=   12.001932
                2s
                   +0 :              -0.00012492288174
                2p
                   -1 :               0.00001366906151
                   +0 :               0.00008197897714
                   +1 :               0.00001907787592
                3s
                   +0 :               0.00032247555618
                4s
                   +0 :              -0.00002039914818
                3p
                   -1 :              -0.00008539855739
                   +0 :              -0.00029901642967
                   +1 :               0.00008494724831
                4p
                   -1 :               0.00004740170590
                   +0 :               0.00003260118232
                   +1 :               0.00011911507542
                3d
                   -2 :               0.00034018372375
                   -1 :              -0.00003000653355
                   +0 :              -0.00008802745924
                   +1 :               0.00018883904397
                   +2 :               0.00016956261718
              8 vec=    -7.780163    -10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :               0.00012788915569
                2p
                   -1 :               0.00001401376723
                   +0 :               0.00009136953731
                   +1 :              -0.00008805612977
                3s
                   +0 :              -0.00110026121729
                4s
                   +0 :               0.00031397383655
                3p
                   -1 :               0.00005957343060
                   +0 :              -0.00086658456447
                   +1 :               0.00084009486700
                4p
                   -1 :              -0.00006114721277
                   +0 :               0.00016516793075
                   +1 :              -0.00017604286224
                3d
                   -2 :              -0.00016724122091
                   -1 :               0.00018964474736
                   +0 :              -0.00015235583634
                   +1 :               0.00020871531232
                   +2 :              -0.00013087908430
              9 vec=     7.780163    -10.723014      2.510723   |vec|=   13.483979
                2s
                   +0 :              -0.00001604910143
                2p
                   -1 :               0.00019288238964
                   +0 :               0.00014788228313
                   +1 :               0.00023090895052
                3s
                   +0 :               0.00045881846968
                4s
                   +0 :              -0.00001327348989
                3p
                   -1 :              -0.00110578584385
                   +0 :              -0.00007589565722
                   +1 :              -0.00086687384845
                4p
                   -1 :               0.00029425822583
                   +0 :              -0.00002159317730
                   +1 :               0.00029560000191
                3d
                   -2 :              -0.00002120710424
                   -1 :              -0.00003608416836
                   +0 :              -0.00005909792795
                   +1 :              -0.00000475671619
                   +2 :              -0.00039653206450
             10 vec=     0.000000    -15.214893      2.510723   |vec|=   15.420658
                2s
                   +0 :               0.00004906053494
                2p
                   -1 :              -0.00002709206317
                   +0 :               0.00002908457753
                   +1 :              -0.00001614916097
                3s
                   +0 :              -0.00016557172035
                4s
                   +0 :               0.00004289198852
                3p
                   -1 :               0.00008901428609
                   +0 :              -0.00018862953664
                   +1 :               0.00004693820822
                4p
                   -1 :              -0.00001413415554
                   +0 :               0.00006693038644
                   +1 :               0.00000018217845
                3d
                   -2 :               0.00000087861064
                   -1 :               0.00003263821188
                   +0 :               0.00002765835381
                   +1 :              -0.00001265426264
                   +2 :              -0.00002306395540
             11 vec=   -15.560325      2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :               0.00004633260958
                2p
                   -1 :               0.00003020716968
                   +0 :              -0.00004758588179
                   +1 :              -0.00005622696354
                3s
                   +0 :              -0.00018728622411
                4s
                   +0 :               0.00007363464001
                3p
                   -1 :              -0.00018873708626
                   +0 :               0.00026234564946
                   +1 :               0.00020442209038
                4p
                   -1 :               0.00005710730909
                   +0 :              -0.00005387224117
                   +1 :              -0.00007373186874
                3d
                   -2 :               0.00002933420016
                   -1 :               0.00000829587395
                   +0 :               0.00002865662867
                   +1 :              -0.00003677630550
                   +2 :               0.00001917211251
             12 vec=    15.560325      2.752623      2.510723   |vec|=   16.000137
                2s
                   +0 :              -0.00001800365775
                2p
                   -1 :              -0.00004615681194
                   +0 :               0.00004188516431
                   +1 :              -0.00003829449807
                3s
                   +0 :               0.00012813857672
                4s
                   +0 :              -0.00013866918055
                3p
                   -1 :               0.00019514170799
                   +0 :              -0.00018028365515
                   +1 :               0.00021781989727
                4p
                   -1 :              -0.00006359644104
                   +0 :               0.00003062514527
                   +1 :              -0.00011242212693
                3d
                   -2 :               0.00002016550184
                   -1 :               0.00005570090732
                   +0 :               0.00000663339743
                   +1 :              -0.00003542676258
                   +2 :               0.00005794817709
             13 vec=   -15.560325     -6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00006724257410
                2p
                   -1 :               0.00000240185456
                   +0 :              -0.00003052621974
                   +1 :               0.00004009109678
                3s
                   +0 :               0.00014693860057
                4s
                   +0 :              -0.00007527328280
                3p
                   -1 :              -0.00004741326360
                   +0 :               0.00011120176226
                   +1 :              -0.00015590651286
                4p
                   -1 :               0.00002002493724
                   +0 :              -0.00004534035640
                   +1 :               0.00004341604466
                3d
                   -2 :               0.00000095799095
                   -1 :              -0.00004196874252
                   +0 :               0.00001004541696
                   +1 :              -0.00000047860306
                   +2 :              -0.00001368326133
             14 vec=    15.560325     -6.231135      2.510723   |vec|=   16.948584
                2s
                   +0 :              -0.00004118475845
                2p
                   -1 :              -0.00001328811594
                   +0 :               0.00000392624181
                   +1 :              -0.00001920387420
                3s
                   +0 :               0.00025772167915
                4s
                   +0 :              -0.00011130009883
                3p
                   -1 :               0.00001645335882
                   +0 :               0.00005405950806
                   +1 :               0.00010976549160
                4p
                   -1 :               0.00003837612050
                   +0 :              -0.00001433190447
                   +1 :              -0.00002638161169
                3d
                   -2 :              -0.00001371833789
                   -1 :              -0.00001312653811
                   +0 :               0.00001880754273
                   +1 :               0.00002132642266
                   +2 :               0.00001770284536
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al(  5)  npairs=  14
              1 vec=    -2.593388     -1.739256     -1.580616   |vec|=    3.499860
                2s
                   +0 :              -0.03823186976833
                2p
                   -1 :               0.02220403811178
                   +0 :               0.02359501207869
                   +1 :               0.02797569903713
                3s
                   +0 :              -0.08001232919068
                4s
                   +0 :              -0.01632739956594
                3p
                   -1 :               0.05620193947118
                   +0 :               0.04425432788966
                   +1 :               0.02347325385554
                4p
                   -1 :               0.00867433578282
                   +0 :               0.01111568030407
                   +1 :               0.01889562770340
                3d
                   -2 :              -0.03494311682792
                   -1 :              -0.03504909726837
                   +0 :              -0.00473808305964
                   +1 :              -0.03520145945819
                   +2 :               0.00652251470616
              2 vec=     5.186775      2.752623     -1.580616   |vec|=    6.080947
                2s
                   +0 :              -0.00343635462560
                2p
                   -1 :              -0.00166144425145
                   +0 :               0.00164484455965
                   +1 :              -0.00151105737738
                3s
                   +0 :               0.00262429118029
                4s
                   +0 :              -0.00462950406386
                3p
                   -1 :               0.00817636593125
                   +0 :              -0.00879682236041
                   +1 :               0.00297924407943
                4p
                   -1 :              -0.00314053855971
                   +0 :               0.00309269533549
                   +1 :              -0.00126206330682
                3d
                   -2 :               0.00442663696845
                   -1 :              -0.00150099706083
                   +0 :              -0.00281869596484
                   +1 :              -0.00265937152497
                   +2 :               0.00198723836585
              3 vec=    -2.593388      7.244502     -1.580616   |vec|=    7.855369
                2s
                   +0 :              -0.00022042171187
                2p
                   -1 :               0.00021031989911
                   +0 :              -0.00073942083178
                   +1 :               0.00016758348191
                3s
                   +0 :              -0.00965204533521
                4s
                   +0 :               0.00011616402489
                3p
                   -1 :              -0.00675394979666
                   +0 :               0.00919407651586
                   +1 :              -0.00153040228429
                4p
                   -1 :              -0.00008547408125
                   +0 :              -0.00091042006623
                   +1 :              -0.00010283267996
                3d
                   -2 :              -0.00080280014927
                   -1 :               0.00394654047684
                   +0 :              -0.00045297232647
                   +1 :              -0.00030428707586
                   +2 :               0.00159696920633
              4 vec=     5.186775     -6.231135     -1.580616   |vec|=    8.260026
                2s
                   +0 :              -0.00063460059098
                2p
                   -1 :              -0.00087587240472
                   +0 :               0.00057284770519
                   +1 :              -0.00046754950747
                3s
                   +0 :               0.00505501926191
                4s
                   +0 :              -0.00138025420722
                3p
                   -1 :               0.00698985573829
                   +0 :              -0.00554488383785
                   +1 :               0.00430516388982
                4p
                   -1 :              -0.00100325271291
                   +0 :               0.00106686573645
                   +1 :              -0.00105732095907
                3d
                   -2 :               0.00232548085837
                   -1 :              -0.00136979550284
                   +0 :               0.00088942652550
                   +1 :              -0.00191144523791
                   +2 :               0.00195127909197
              5 vec=   -10.373550      2.752623     -1.580616   |vec|=   10.848310
                2s
                   +0 :               0.00047230840962
                2p
                   -1 :              -0.00025285717494
                   +0 :               0.00013487851657
                   +1 :              -0.00050579050807
                3s
                   +0 :              -0.00205688429344
                4s
                   +0 :               0.00038042810252
                3p
                   -1 :               0.00098871996310
                   +0 :               0.00003060151671
                   +1 :               0.00244029949228
                4p
                   -1 :              -0.00030769017421
                   +0 :              -0.00001474375496
                   +1 :              -0.00044522629262
                3d
                   -2 :              -0.00034499036454
                   -1 :               0.00010785709532
                   +0 :               0.00021411837222
                   +1 :              -0.00021248151578
                   +2 :              -0.00094561167007
              6 vec=    -2.593388    -10.723014     -1.580616   |vec|=   11.144821
                2s
                   +0 :              -0.00038912887830
                2p
                   -1 :               0.00000201921172
                   +0 :              -0.00019471854140
                   +1 :               0.00010556936756
                3s
                   +0 :               0.00187039475707
                4s
                   +0 :               0.00018850710933
                3p
                   -1 :              -0.00003341183193
                   +0 :               0.00052282439346
                   +1 :              -0.00127615268563
                4p
                   -1 :              -0.00029481579330
                   +0 :              -0.00017055444491
                   +1 :               0.00005828783305
                3d
                   -2 :               0.00081281382772
                   -1 :              -0.00037692641925
                   +0 :               0.00028633421499
                   +1 :               0.00045588633351
                   +2 :               0.00020192826339
              7 vec=   -10.373550     -6.231135     -1.580616   |vec|=   12.203931
                2s
                   +0 :               0.00002512761626
                2p
                   -1 :              -0.00012645532656
                   +0 :               0.00006033334929
                   +1 :               0.00007630847764
                3s
                   +0 :              -0.00062288630930
                4s
                   +0 :              -0.00003947128119
                3p
                   -1 :               0.00075476095768
                   +0 :               0.00014319438411
                   +1 :               0.00015232593523
                4p
                   -1 :              -0.00030262837326
                   +0 :               0.00007772361226
                   +1 :               0.00010940684910
                3d
                   -2 :              -0.00003406733512
                   -1 :               0.00007411295804
                   +0 :               0.00007054690292
                   +1 :              -0.00006654377572
                   +2 :              -0.00009927988773
              8 vec=     5.186775     11.736381     -1.580616   |vec|=   12.928404
                2s
                   +0 :               0.00008406460518
                2p
                   -1 :               0.00007386805604
                   +0 :              -0.00013007845217
                   +1 :              -0.00000874909526
                3s
                   +0 :               0.00080835450550
                4s
                   +0 :              -0.00008988764418
                3p
                   -1 :               0.00044200050774
                   +0 :              -0.00004901872811
                   +1 :              -0.00045660204431
                4p
                   -1 :              -0.00003983403274
                   +0 :              -0.00012766384969
                   +1 :              -0.00001110793838
                3d
                   -2 :              -0.00026869787691
                   -1 :              -0.00017857011990
                   +0 :               0.00017873466170
                   +1 :               0.00015062505081
                   +2 :              -0.00010545949606
              9 vec=    12.966938     -1.739256     -1.580616   |vec|=   13.178195
                2s
                   +0 :              -0.00006425894180
                2p
                   -1 :              -0.00016277426031
                   +0 :               0.00007915057175
                   +1 :               0.00002775711586
                3s
                   +0 :               0.00264157637115
                4s
                   +0 :              -0.00005245390141
                3p
                   -1 :              -0.00060713872405
                   +0 :              -0.00231530319979
                   +1 :               0.00112447372793
                4p
                   -1 :              -0.00013759834068
                   +0 :               0.00033080146723
                   +1 :               0.00009719028166
                3d
                   -2 :              -0.00040879475288
                   -1 :               0.00050751905866
                   +0 :               0.00023411622985
                   +1 :              -0.00086234286270
                   +2 :               0.00004249057996
             10 vec=    12.966938      7.244502     -1.580616   |vec|=   14.937290
                2s
                   +0 :              -0.00015908016820
                2p
                   -1 :              -0.00000267395885
                   +0 :              -0.00002107106566
                   +1 :               0.00000439738397
                3s
                   +0 :               0.00079565776631
                4s
                   +0 :              -0.00013577648942
                3p
                   -1 :               0.00002882800379
                   +0 :              -0.00006341254602
                   +1 :              -0.00001206582831
                4p
                   -1 :               0.00003518018781
                   +0 :              -0.00004583789863
                   +1 :               0.00001546395011
                3d
                   -2 :              -0.00005550534306
                   -1 :              -0.00003529845849
                   +0 :               0.00004113073856
                   +1 :               0.00004998971210
                   +2 :              -0.00000077655865
             11 vec=   -10.373550     11.736381     -1.580616   |vec|=   15.743301
                2s
                   +0 :               0.00006322347463
                2p
                   -1 :              -0.00000331140617
                   +0 :              -0.00000737502444
                   +1 :              -0.00004005095408
                3s
                   +0 :              -0.00024623594660
                4s
                   +0 :               0.00009087847633
                3p
                   -1 :              -0.00004663817012
                   +0 :               0.00008195812471
                   +1 :               0.00025260384759
                4p
                   -1 :               0.00002091155315
                   +0 :              -0.00002555623975
                   +1 :              -0.00006618476449
                3d
                   -2 :               0.00006109258391
                   -1 :              -0.00000400323063
                   +0 :               0.00004214197534
                   +1 :               0.00000509867023
                   +2 :              -0.00004367208767
             12 vec=     5.186775    -15.214893     -1.580616   |vec|=   16.152212
                2s
                   +0 :               0.00002203867352
                2p
                   -1 :              -0.00001886528069
                   +0 :              -0.00000059955278
                   +1 :               0.00000125476477
                3s
                   +0 :              -0.00021641565042
                4s
                   +0 :               0.00011568433930
                3p
                   -1 :               0.00019946028593
                   +0 :               0.00005651228515
                   +1 :              -0.00010089411771
                4p
                   -1 :              -0.00012009167639
                   +0 :              -0.00002979336182
                   +1 :               0.00001249066480
                3d
                   -2 :              -0.00003516153730
                   -1 :               0.00002417924758
                   +0 :              -0.00003982941246
                   +1 :               0.00002565120972
                   +2 :              -0.00001862303650
             13 vec=    -2.593388     16.228260     -1.580616   |vec|=   16.510010
                2s
                   +0 :              -0.00002768874575
                2p
                   -1 :              -0.00000328372806
                   +0 :              -0.00001451094780
                   +1 :              -0.00001867361375
                3s
                   +0 :               0.00026444910471
                4s
                   +0 :              -0.00003962921018
                3p
                   -1 :               0.00017345395598
                   +0 :              -0.00002129633149
                   +1 :               0.00009624966807
                4p
                   -1 :              -0.00001706382043
                   +0 :              -0.00001692071702
                   +1 :              -0.00000443021337
                3d
                   -2 :               0.00002000675820
                   -1 :              -0.00004695901738
                   +0 :               0.00000547825505
                   +1 :              -0.00002686387273
                   +2 :              -0.00002070281243
             14 vec=    12.966938    -10.723014     -1.580616   |vec|=   16.900380
                2s
                   +0 :              -0.00000606672972
                2p
                   -1 :              -0.00002267315819
                   +0 :              -0.00000990009968
                   +1 :              -0.00001036281752
                3s
                   +0 :               0.00024033932531
                4s
                   +0 :              -0.00008935334282
                3p
                   -1 :               0.00006439574243
                   +0 :              -0.00006998961256
                   +1 :               0.00018642101154
                4p
                   -1 :              -0.00001005710020
                   +0 :               0.00000819056640
                   +1 :              -0.00006206227767
                3d
                   -2 :               0.00002124607718
                   -1 :              -0.00000044246035
                   +0 :               0.00000359855951
                   +1 :              -0.00004283021052
                   +2 :               0.00003361295486
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al(  6)  npairs=  14
              1 vec=    -2.593388     -1.739256      5.671710   |vec|=    6.474485
                2s
                   +0 :               0.00233503500969
                2p
                   -1 :              -0.00088999467568
                   +0 :               0.00170295961031
                   +1 :              -0.00020331308494
                3s
                   +0 :              -0.00666350107481
                4s
                   +0 :               0.00480509124843
                3p
                   -1 :               0.00408535789179
                   +0 :              -0.01240475487941
                   +1 :               0.00117587341968
                4p
                   -1 :              -0.00106857344369
                   +0 :               0.00519617674169
                   +1 :              -0.00079458547338
                3d
                   -2 :              -0.00141451400275
                   -1 :              -0.00034502236267
                   +0 :              -0.00320615219127
                   +1 :               0.00203689217312
                   +2 :              -0.00109586206722
              2 vec=     5.186775      2.752623      5.671710   |vec|=    8.163814
                2s
                   +0 :               0.00046280326095
                2p
                   -1 :               0.00050145614038
                   +0 :              -0.00016113338103
                   +1 :              -0.00022422498024
                3s
                   +0 :               0.00437319402767
                4s
                   +0 :              -0.00032818284565
                3p
                   -1 :              -0.00101781471323
                   +0 :              -0.00089020817607
                   +1 :               0.00480168834049
                4p
                   -1 :               0.00065367441423
                   +0 :              -0.00013156666276
                   +1 :              -0.00020619076181
                3d
                   -2 :               0.00128769385854
                   -1 :              -0.00086072514169
                   +0 :              -0.00196174647047
                   +1 :              -0.00040786989504
                   +2 :               0.00114921428465
              3 vec=    -2.593388      7.244502      5.671710   |vec|=    9.559119
                2s
                   +0 :              -0.00065534999088
                2p
                   -1 :              -0.00035575013109
                   +0 :              -0.00046568286977
                   +1 :               0.00072723529237
                3s
                   +0 :               0.00222372589771
                4s
                   +0 :              -0.00079019799787
                3p
                   -1 :               0.00239442572898
                   +0 :               0.00139031776035
                   +1 :              -0.00294557252484
                4p
                   -1 :              -0.00077702507272
                   +0 :              -0.00027176922289
                   +1 :               0.00047094456299
                3d
                   -2 :              -0.00041355329144
                   -1 :               0.00034230793235
                   +0 :              -0.00032478098461
                   +1 :              -0.00038900121056
                   +2 :               0.00004203597145
              4 vec=     5.186775     -6.231135      5.671710   |vec|=    9.894340
                2s
                   +0 :               0.00122415824929
                2p
                   -1 :              -0.00108703888065
                   +0 :              -0.00036513474908
                   +1 :              -0.00079904025583
                3s
                   +0 :              -0.00309601578657
                4s
                   +0 :               0.00059603685547
                3p
                   -1 :               0.00448892618971
                   +0 :               0.00280380097000
                   +1 :               0.00409579431461
                4p
                   -1 :              -0.00053328068014
                   +0 :              -0.00126872374371
                   +1 :              -0.00096914194134
                3d
                   -2 :              -0.00047390484367
                   -1 :              -0.00021209614146
                   +0 :               0.00071833001217
                   +1 :               0.00065886777819
                   +2 :               0.00072375299682
              5 vec=   -10.373550      2.752623      5.671710   |vec|=   12.139018
                2s
                   +0 :              -0.00036461904779
                2p
                   -1 :              -0.00017649544831
                   +0 :              -0.00010755647730
                   +1 :               0.00022997412549
                3s
                   +0 :               0.00107784892535
                4s
                   +0 :              -0.00047249918674
                3p
                   -1 :               0.00077155415586
                   +0 :               0.00021933141965
                   +1 :              -0.00102947521472
                4p
                   -1 :              -0.00025194828841
                   +0 :              -0.00014442993792
                   +1 :               0.00028008318307
                3d
                   -2 :              -0.00012881134839
                   -1 :               0.00014259149789
                   +0 :              -0.00004401695915
                   +1 :              -0.00008031881749
                   +2 :               0.00002056088713
              6 vec=    -2.593388    -10.723014      5.671710   |vec|=   12.404716
                2s
                   +0 :               0.00010145303657
                2p
                   -1 :              -0.00012408711626
                   +0 :               0.00006190639325
                   +1 :               0.00009321406779
                3s
                   +0 :              -0.00044627772037
                4s
                   +0 :              -0.00006822917869
                3p
                   -1 :               0.00071315327253
                   +0 :              -0.00015999740314
                   +1 :              -0.00040584905269
                4p
                   -1 :              -0.00000012404471
                   +0 :              -0.00002928755299
                   +1 :               0.00013336447474
                3d
                   -2 :              -0.00007344381308
                   -1 :               0.00017109425869
                   +0 :               0.00007771997080
                   +1 :              -0.00002527906231
                   +2 :               0.00029169402512
              7 vec=   -10.373550     -6.231135      5.671710   |vec|=   13.364351
                2s
                   +0 :              -0.00022616778253
                2p
                   -1 :               0.00005283421219
                   +0 :               0.00004886508881
                   +1 :               0.00003422881456
                3s
                   +0 :               0.00071627233812
                4s
                   +0 :              -0.00024920185734
                3p
                   -1 :              -0.00029316537173
                   +0 :              -0.00013755624141
                   +1 :              -0.00026698534756
                4p
                   -1 :               0.00008830717990
                   +0 :               0.00002922930863
                   +1 :               0.00012436402940
                3d
                   -2 :              -0.00008164286549
                   -1 :               0.00014185097470
                   +0 :              -0.00008019720641
                   +1 :              -0.00000781580566
                   +2 :               0.00001882391320
              8 vec=     5.186775     11.736381      5.671710   |vec|=   14.029026
                2s
                   +0 :              -0.00024721849458
                2p
                   -1 :               0.00005487334717
                   +0 :              -0.00003936155814
                   +1 :              -0.00011635471891
                3s
                   +0 :               0.00082115926003
                4s
                   +0 :              -0.00018306845832
                3p
                   -1 :              -0.00031093545422
                   +0 :               0.00019362103052
                   +1 :               0.00062611823465
                4p
                   -1 :               0.00014176761651
                   +0 :              -0.00007691900869
                   +1 :              -0.00012580718171
                3d
                   -2 :               0.00005864311917
                   -1 :              -0.00012962080032
                   +0 :               0.00000538519243
                   +1 :               0.00013075281045
                   +2 :               0.00011763984500
              9 vec=    12.966938     -1.739256      5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00004650450923
                2p
                   -1 :              -0.00002993736765
                   +0 :               0.00008986371877
                   +1 :               0.00010691134373
                3s
                   +0 :               0.00015220027964
                4s
                   +0 :               0.00002512958383
                3p
                   -1 :               0.00011631475391
                   +0 :              -0.00035555379143
                   +1 :              -0.00061298153758
                4p
                   -1 :              -0.00002289014215
                   +0 :               0.00004477091779
                   +1 :               0.00016880269236
                3d
                   -2 :              -0.00004349375881
                   -1 :               0.00017281639772
                   +0 :               0.00012252396744
                   +1 :              -0.00013646415500
                   +2 :              -0.00014564420106
             10 vec=    12.966938      7.244502      5.671710   |vec|=   15.899452
                2s
                   +0 :               0.00021486897452
                2p
                   -1 :               0.00007606717176
                   +0 :               0.00002467617556
                   +1 :               0.00014294509463
                3s
                   +0 :              -0.00067861446325
                4s
                   +0 :               0.00019818293691
                3p
                   -1 :              -0.00039489743983
                   +0 :               0.00001483772849
                   +1 :              -0.00073475388130
                4p
                   -1 :               0.00009554888436
                   +0 :              -0.00004609176192
                   +1 :               0.00015671312326
                3d
                   -2 :              -0.00015857089503
                   -1 :              -0.00001210844755
                   +0 :               0.00009409233060
                   +1 :              -0.00006428356962
                   +2 :              -0.00007352873504
             11 vec=   -10.373550     11.736381      5.671710   |vec|=   16.658976
                2s
                   +0 :              -0.00003397269569
                2p
                   -1 :              -0.00000048777264
                   +0 :               0.00000158096383
                   +1 :              -0.00001016841975
                3s
                   +0 :              -0.00007653058261
                4s
                   +0 :              -0.00000815929471
                3p
                   -1 :              -0.00004569229535
                   +0 :              -0.00002209650517
                   +1 :               0.00015966213405
                4p
                   -1 :              -0.00000949223730
                   +0 :               0.00000450851320
                   +1 :              -0.00003816232911
                3d
                   -2 :               0.00002431800820
                   -1 :               0.00000499796108
                   +0 :               0.00000783123638
                   +1 :               0.00000809922064
                   +2 :              -0.00001513583568
             12 vec=     5.186775    -15.214893      5.671710   |vec|=   17.045934
                2s
                   +0 :               0.00009469324373
                2p
                   -1 :              -0.00006614281942
                   +0 :               0.00003983717211
                   +1 :               0.00002256936372
                3s
                   +0 :              -0.00040739708189
                4s
                   +0 :               0.00012820100581
                3p
                   -1 :               0.00039223836444
                   +0 :              -0.00020941978813
                   +1 :              -0.00014639457076
                4p
                   -1 :              -0.00008729994854
                   +0 :               0.00004556359590
                   +1 :               0.00006202722686
                3d
                   -2 :              -0.00001206848622
                   -1 :               0.00011368527943
                   +0 :              -0.00001394560380
                   +1 :              -0.00000143103923
                   +2 :               0.00008408876388
             13 vec=    -2.593388     16.228260      5.671710   |vec|=   17.385350
                2s
                   +0 :               0.00002107521786
                2p
                   -1 :               0.00000794538740
                   +0 :              -0.00001574517966
                   +1 :              -0.00002371018377
                3s
                   +0 :              -0.00001222297722
                4s
                   +0 :              -0.00002537407951
                3p
                   -1 :               0.00000720904941
                   +0 :               0.00006523912154
                   +1 :               0.00011444405692
                4p
                   -1 :              -0.00001897652314
                   +0 :              -0.00000350980341
                   +1 :              -0.00004242351256
                3d
                   -2 :               0.00001171477211
                   -1 :               0.00000387076707
                   +0 :               0.00000472265724
                   +1 :               0.00000320513437
                   +2 :               0.00000910746172
             14 vec=    12.966938    -10.723014      5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00001645229057
                2p
                   -1 :              -0.00002286948191
                   +0 :              -0.00002169677262
                   +1 :              -0.00000495391594
                3s
                   +0 :               0.00008020788810
                4s
                   +0 :              -0.00004632225031
                3p
                   -1 :              -0.00001331916298
                   +0 :               0.00005173388079
                   +1 :               0.00005715081600
                4p
                   -1 :               0.00003260758655
                   +0 :               0.00001637047013
                   +1 :              -0.00001257507125
                3d
                   -2 :               0.00003442127463
                   -1 :               0.00002429014459
                   +0 :              -0.00000704550486
                   +1 :               0.00002893516869
                   +2 :               0.00002309018852
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al(  7)  npairs=  13
              1 vec=    -2.593388     -1.739256     -6.602062   |vec|=    7.303279
                2s
                   +0 :              -0.00025419708734
                2p
                   -1 :              -0.00011457064917
                   +0 :              -0.00056969499640
                   +1 :               0.00015151502672
                3s
                   +0 :               0.00085489359247
                4s
                   +0 :               0.00048392047133
                3p
                   -1 :               0.00384671193267
                   +0 :              -0.00101349492153
                   +1 :              -0.00080801717524
                4p
                   -1 :              -0.00054387801887
                   +0 :              -0.00063970767165
                   +1 :              -0.00081072920127
                3d
                   -2 :              -0.00076173082645
                   -1 :              -0.00040303107575
                   +0 :               0.00106454747934
                   +1 :               0.00182194241375
                   +2 :               0.00120005761534
              2 vec=     5.186775      2.752623     -6.602062   |vec|=    8.835541
                2s
                   +0 :              -0.00190018631495
                2p
                   -1 :               0.00027336908580
                   +0 :               0.00028856453215
                   +1 :              -0.00033808828595
                3s
                   +0 :               0.01777442661276
                4s
                   +0 :              -0.00309429765990
                3p
                   -1 :               0.00159324477424
                   +0 :              -0.00880963038216
                   +1 :               0.00825705822323
                4p
                   -1 :               0.00067033916866
                   +0 :               0.00086915342887
                   +1 :              -0.00068313414922
                3d
                   -2 :               0.00178150411596
                   -1 :              -0.00113390920805
                   +0 :               0.00070605114416
                   +1 :              -0.00282781563921
                   +2 :               0.00150682371678
              3 vec=    -2.593388      7.244502     -6.602062   |vec|=   10.138821
                2s
                   +0 :              -0.00107701181533
                2p
                   -1 :              -0.00042583789846
                   +0 :               0.00052645186493
                   +1 :               0.00014274204345
                3s
                   +0 :               0.00397948321424
                4s
                   +0 :              -0.00167307413404
                3p
                   -1 :               0.00206099071337
                   +0 :              -0.00343505506791
                   +1 :              -0.00112586426769
                4p
                   -1 :              -0.00071437037515
                   +0 :               0.00086813691024
                   +1 :               0.00018987486633
                3d
                   -2 :              -0.00032115439066
                   -1 :              -0.00062051593283
                   +0 :              -0.00014526840380
                   +1 :               0.00030905642958
                   +2 :              -0.00025479013440
              4 vec=     5.186775     -6.231135     -6.602062   |vec|=   10.455472
                2s
                   +0 :              -0.00110598079739
                2p
                   -1 :               0.00048583695260
                   +0 :               0.00018375854949
                   +1 :              -0.00018328222448
                3s
                   +0 :               0.00466013991610
                4s
                   +0 :              -0.00161366598617
                3p
                   -1 :              -0.00284633585150
                   +0 :              -0.00189646555339
                   +1 :               0.00135546253580
                4p
                   -1 :               0.00078864872123
                   +0 :               0.00051706220313
                   +1 :              -0.00039232794011
                3d
                   -2 :              -0.00037545672194
                   -1 :               0.00077679208135
                   +0 :              -0.00002844301048
                   +1 :               0.00009388598233
                   +2 :              -0.00037705106671
              5 vec=   -10.373550      2.752623     -6.602062   |vec|=   12.600583
                2s
                   +0 :              -0.00022897219838
                2p
                   -1 :              -0.00012560928210
                   +0 :               0.00005217163667
                   +1 :               0.00027146705193
                3s
                   +0 :              -0.00016752380179
                4s
                   +0 :              -0.00000222425728
                3p
                   -1 :               0.00024745344818
                   +0 :               0.00026362578937
                   +1 :              -0.00095600731687
                4p
                   -1 :              -0.00007092767884
                   +0 :               0.00001174452165
                   +1 :               0.00032476899930
                3d
                   -2 :              -0.00003995193218
                   -1 :              -0.00002214652906
                   +0 :              -0.00013155397608
                   +1 :              -0.00003487360559
                   +2 :              -0.00004367831687
              6 vec=    -2.593388    -10.723014     -6.602062   |vec|=   12.856745
                2s
                   +0 :               0.00011282157812
                2p
                   -1 :               0.00006056195427
                   +0 :               0.00015782114707
                   +1 :              -0.00001418707062
                3s
                   +0 :              -0.00082639875902
                4s
                   +0 :               0.00007066709372
                3p
                   -1 :               0.00012094940939
                   +0 :              -0.00033842471515
                   +1 :               0.00005972748574
                4p
                   -1 :               0.00004759130084
                   +0 :               0.00010824806245
                   +1 :              -0.00001029415509
                3d
                   -2 :              -0.00001301355362
                   -1 :               0.00008546399551
                   +0 :               0.00020171818382
                   +1 :               0.00002033426540
                   +2 :               0.00019192416659
              7 vec=   -10.373550     -6.231135     -6.602062   |vec|=   13.784948
                2s
                   +0 :               0.00002272898097
                2p
                   -1 :              -0.00024799425662
                   +0 :               0.00000685465380
                   +1 :               0.00001246171283
                3s
                   +0 :              -0.00058266775346
                4s
                   +0 :               0.00043808648276
                3p
                   -1 :               0.00127216659787
                   +0 :               0.00010340528084
                   +1 :               0.00050397775692
                4p
                   -1 :              -0.00038730530808
                   +0 :              -0.00010820513491
                   +1 :              -0.00036793493567
                3d
                   -2 :              -0.00005395538550
                   -1 :              -0.00007081271754
                   +0 :               0.00008735225841
                   +1 :               0.00001054601209
                   +2 :              -0.00015471663654
              8 vec=     5.186775     11.736381     -6.602062   |vec|=   14.430263
                2s
                   +0 :              -0.00013093491064
                2p
                   -1 :               0.00003580069559
                   +0 :               0.00006864726632
                   +1 :              -0.00008727215724
                3s
                   +0 :               0.00037786174224
                4s
                   +0 :               0.00001214903657
                3p
                   -1 :              -0.00034640179657
                   +0 :              -0.00028036114160
                   +1 :               0.00030235253488
                4p
                   -1 :               0.00020689098068
                   +0 :               0.00001568948819
                   +1 :              -0.00005048699959
                3d
                   -2 :              -0.00007560007715
                   -1 :              -0.00000867517938
                   +0 :               0.00004694145391
                   +1 :              -0.00010773381099
                   +2 :               0.00010148481566
              9 vec=    12.966938     -1.739256     -6.602062   |vec|=   14.654477
                2s
                   +0 :               0.00013023896752
                2p
                   -1 :               0.00003849783982
                   +0 :              -0.00003094461204
                   +1 :               0.00006183058580
                3s
                   +0 :              -0.00023121123179
                4s
                   +0 :              -0.00003807861386
                3p
                   -1 :              -0.00032724768368
                   +0 :               0.00002444008035
                   +1 :              -0.00029986795345
                4p
                   -1 :               0.00008628812732
                   +0 :               0.00005189949758
                   +1 :               0.00002483771200
                3d
                   -2 :              -0.00009588193424
                   -1 :               0.00005273958105
                   +0 :               0.00007261935833
                   +1 :               0.00007134941452
                   +2 :               0.00000428145114
             10 vec=    12.966938      7.244502     -6.602062   |vec|=   16.254584
                2s
                   +0 :              -0.00015422048602
                2p
                   -1 :              -0.00000128121658
                   +0 :               0.00004958289608
                   +1 :              -0.00005985680137
                3s
                   +0 :               0.00050757137548
                4s
                   +0 :              -0.00009120735681
                3p
                   -1 :              -0.00005482209989
                   +0 :              -0.00022907067484
                   +1 :               0.00024160113754
                4p
                   -1 :               0.00004534628583
                   +0 :               0.00005746487330
                   +1 :              -0.00002229497631
                3d
                   -2 :              -0.00002104987033
                   -1 :              -0.00002565220095
                   +0 :               0.00002748469798
                   +1 :              -0.00003093818762
                   +2 :               0.00005584067742
             11 vec=   -10.373550     11.736381     -6.602062   |vec|=   16.998247
                2s
                   +0 :               0.00007026742743
                2p
                   -1 :               0.00000691569937
                   +0 :              -0.00002789278676
                   +1 :              -0.00004081083465
                3s
                   +0 :              -0.00039131406882
                4s
                   +0 :               0.00009949181289
                3p
                   -1 :              -0.00007271591472
                   +0 :               0.00020851953051
                   +1 :               0.00025832600777
                4p
                   -1 :               0.00001275383546
                   +0 :              -0.00003278410606
                   +1 :              -0.00004281645286
                3d
                   -2 :               0.00000418776991
                   -1 :               0.00001751876951
                   +0 :              -0.00000604536332
                   +1 :              -0.00004713129703
                   +2 :              -0.00005043752931
             12 vec=     5.186775    -15.214893     -6.602062   |vec|=   17.377653
                2s
                   +0 :               0.00004041576669
                2p
                   -1 :              -0.00002022156163
                   +0 :              -0.00003085763971
                   +1 :               0.00000865607289
                3s
                   +0 :              -0.00009518130052
                4s
                   +0 :               0.00004248227623
                3p
                   -1 :               0.00006017025087
                   +0 :               0.00014326905848
                   +1 :              -0.00005624249756
                4p
                   -1 :              -0.00001311434097
                   +0 :              -0.00004167505252
                   +1 :               0.00001151939911
                3d
                   -2 :              -0.00001179124436
                   -1 :              -0.00004013485216
                   +0 :              -0.00001039631801
                   +1 :               0.00000627841798
                   +2 :              -0.00001508927467
             13 vec=    -2.593388     16.228260     -6.602062   |vec|=   17.710712
                2s
                   +0 :              -0.00000750152073
                2p
                   -1 :              -0.00001372758767
                   +0 :              -0.00000295327550
                   +1 :               0.00001229025942
                3s
                   +0 :               0.00006133174276
                4s
                   +0 :              -0.00003729347240
                3p
                   -1 :               0.00012532354593
                   +0 :              -0.00000087465798
                   +1 :              -0.00001828718041
                4p
                   -1 :              -0.00005017782702
                   +0 :               0.00000840640419
                   +1 :              -0.00001486162715
                3d
                   -2 :               0.00000713041282
                   -1 :               0.00000879019958
                   +0 :              -0.00000935683346
                   +1 :               0.00000965228543
                   +2 :              -0.00001589473271
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al(  8)  npairs=  15
              1 vec=    -2.593388     -1.739256     10.693155   |vec|=   11.139759
                2s
                   +0 :              -0.00075629752294
                2p
                   -1 :              -0.00024679189768
                   +0 :              -0.00019235803901
                   +1 :              -0.00001895605811
                3s
                   +0 :               0.00227008586068
                4s
                   +0 :              -0.00053615451391
                3p
                   -1 :               0.00101183594403
                   +0 :               0.00083829260018
                   +1 :              -0.00090155544947
                4p
                   -1 :              -0.00024832968151
                   +0 :              -0.00010306028660
                   +1 :              -0.00004040468857
                3d
                   -2 :               0.00021597020171
                   -1 :               0.00010779740952
                   +0 :              -0.00036847673788
                   +1 :              -0.00035796784494
                   +2 :              -0.00008819652360
              2 vec=     5.186775      2.752623     10.693155   |vec|=   12.199309
                2s
                   +0 :              -0.00019517559579
                2p
                   -1 :               0.00023413337552
                   +0 :              -0.00002719216057
                   +1 :              -0.00017469466270
                3s
                   +0 :               0.00113837532377
                4s
                   +0 :              -0.00018818992309
                3p
                   -1 :              -0.00115647411748
                   +0 :               0.00004103085334
                   +1 :               0.00083552915171
                4p
                   -1 :               0.00033580182084
                   +0 :              -0.00002803336739
                   +1 :              -0.00018181451170
                3d
                   -2 :              -0.00020412223462
                   -1 :              -0.00027495370397
                   +0 :              -0.00032974639320
                   +1 :               0.00012293956060
                   +2 :              -0.00006192386427
              3 vec=    -2.593388      7.244502     10.693155   |vec|=   13.173915
                2s
                   +0 :              -0.00009781822540
                2p
                   -1 :              -0.00021633722528
                   +0 :              -0.00009357561061
                   +1 :               0.00010085285255
                3s
                   +0 :              -0.00096885476001
                4s
                   +0 :               0.00000029903021
                3p
                   -1 :              -0.00001756967506
                   +0 :              -0.00049611946834
                   +1 :              -0.00041490377340
                4p
                   -1 :              -0.00011790923683
                   +0 :              -0.00005471301279
                   +1 :               0.00010350520603
                3d
                   -2 :              -0.00009161119805
                   -1 :              -0.00016665566384
                   +0 :              -0.00004754750756
                   +1 :              -0.00006175830404
                   +2 :               0.00015177416993
              4 vec=     5.186775     -6.231135     10.693155   |vec|=   13.419137
                2s
                   +0 :               0.00007750317275
                2p
                   -1 :              -0.00000066864782
                   +0 :              -0.00001467054233
                   +1 :              -0.00025096978675
                3s
                   +0 :              -0.00001319044633
                4s
                   +0 :              -0.00018538185735
                3p
                   -1 :               0.00005653450822
                   +0 :               0.00023772426910
                   +1 :               0.00108844198570
                4p
                   -1 :               0.00005569923566
                   +0 :              -0.00022165592347
                   +1 :              -0.00028725835348
                3d
                   -2 :               0.00008896981514
                   -1 :               0.00012095374073
                   +0 :               0.00023953978146
                   +1 :               0.00023951419224
                   +2 :               0.00002519512902
              5 vec=    -2.593388     -1.739256    -13.854387   |vec|=   14.201927
                2s
                   +0 :              -0.00009984708361
                2p
                   -1 :              -0.00001028222509
                   +0 :              -0.00002182784170
                   +1 :               0.00006553654814
                3s
                   +0 :               0.00012381569964
                4s
                   +0 :              -0.00001581533572
                3p
                   -1 :               0.00004774323011
                   +0 :               0.00017714914642
                   +1 :              -0.00031727086613
                4p
                   -1 :              -0.00002540751997
                   +0 :              -0.00008438333256
                   +1 :               0.00009769747531
                3d
                   -2 :              -0.00000393368144
                   -1 :               0.00001546668816
                   +0 :              -0.00003638691244
                   +1 :              -0.00003866658597
                   +2 :              -0.00001386327362
              6 vec=     5.186775      2.752623    -13.854387   |vec|=   15.047379
                2s
                   +0 :               0.00003898037597
                2p
                   -1 :              -0.00000468323796
                   +0 :              -0.00000806010447
                   +1 :              -0.00001760003676
                3s
                   +0 :              -0.00016415073104
                4s
                   +0 :              -0.00001428520596
                3p
                   -1 :               0.00001779930591
                   +0 :               0.00008495865325
                   +1 :              -0.00006138137349
                4p
                   -1 :              -0.00003077812402
                   +0 :               0.00000803194022
                   +1 :              -0.00001291784463
                3d
                   -2 :              -0.00000153402493
                   -1 :              -0.00000715583133
                   +0 :              -0.00001502855634
                   +1 :               0.00001847439707
                   +2 :              -0.00006801729003
              7 vec=   -10.373550      2.752623     10.693155   |vec|=   15.150282
                2s
                   +0 :              -0.00001985733032
                2p
                   -1 :               0.00003099661828
                   +0 :              -0.00006227906640
                   +1 :               0.00002742045492
                3s
                   +0 :              -0.00013544335532
                4s
                   +0 :               0.00002375941486
                3p
                   -1 :              -0.00002739981798
                   +0 :               0.00029953905374
                   +1 :              -0.00005797806581
                4p
                   -1 :               0.00002259920666
                   +0 :              -0.00006800135731
                   +1 :               0.00001504771843
                3d
                   -2 :              -0.00006090188837
                   -1 :               0.00003218587792
                   +0 :               0.00006008775850
                   +1 :              -0.00005966521880
                   +2 :               0.00001953803358
              8 vec=    -2.593388    -10.723014     10.693155   |vec|=   15.363992
                2s
                   +0 :               0.00012297175390
                2p
                   -1 :              -0.00003401547857
                   +0 :               0.00002709553459
                   +1 :              -0.00000044329702
                3s
                   +0 :              -0.00042745178235
                4s
                   +0 :               0.00013224955995
                3p
                   -1 :               0.00011378183447
                   +0 :              -0.00010302276662
                   +1 :              -0.00006051410637
                4p
                   -1 :              -0.00001191008676
                   +0 :               0.00003587253633
                   +1 :              -0.00000122968568
                3d
                   -2 :               0.00001503424019
                   -1 :               0.00000211589857
                   +0 :              -0.00002556754614
                   +1 :              -0.00003619331958
                   +2 :              -0.00001116989466
              9 vec=    -2.593388      7.244502    -13.854387   |vec|=   15.847792
                2s
                   +0 :              -0.00001831111274
                2p
                   -1 :               0.00000147959704
                   +0 :              -0.00006267750757
                   +1 :              -0.00000000670066
                3s
                   +0 :               0.00013794863639
                4s
                   +0 :               0.00003579867005
                3p
                   -1 :               0.00010265946618
                   +0 :               0.00037484565672
                   +1 :              -0.00012903245474
                4p
                   -1 :              -0.00000495137661
                   +0 :              -0.00014555739044
                   +1 :              -0.00001067801642
                3d
                   -2 :              -0.00008358174847
                   -1 :               0.00002565451292
                   +0 :              -0.00010963193058
                   +1 :               0.00001232461947
                   +2 :               0.00002039583263
             10 vec=     5.186775     -6.231135    -13.854387   |vec|=   16.052219
                2s
                   +0 :               0.00007009591518
                2p
                   -1 :               0.00001497314311
                   +0 :              -0.00004282566669
                   +1 :               0.00004478096176
                3s
                   +0 :               0.00002373592610
                4s
                   +0 :               0.00002304810699
                3p
                   -1 :              -0.00030991776626
                   +0 :               0.00013476553717
                   +1 :              -0.00019853656176
                4p
                   -1 :               0.00003714345489
                   +0 :              -0.00001200742056
                   +1 :               0.00001127478147
                3d
                   -2 :              -0.00001825049415
                   -1 :              -0.00003566862661
                   +0 :              -0.00006568765285
                   +1 :              -0.00001677144203
                   +2 :              -0.00006975856922
             11 vec=   -10.373550     -6.231135     10.693155   |vec|=   16.148720
                2s
                   +0 :              -0.00026584360816
                2p
                   -1 :               0.00007573735868
                   +0 :              -0.00012814302771
                   +1 :               0.00010461598796
                3s
                   +0 :               0.00090898105701
                4s
                   +0 :              -0.00032499401109
                3p
                   -1 :              -0.00041509024672
                   +0 :               0.00061346836116
                   +1 :              -0.00045080633559
                4p
                   -1 :               0.00009362050412
                   +0 :              -0.00018778072767
                   +1 :               0.00009904301058
                3d
                   -2 :               0.00002578457129
                   -1 :              -0.00009689110441
                   +0 :               0.00007609190923
                   +1 :              -0.00011499104729
                   +2 :              -0.00005668923133
             12 vec=     5.186775     11.736381     10.693155   |vec|=   16.702959
                2s
                   +0 :              -0.00002978082861
                2p
                   -1 :              -0.00000774317779
                   +0 :              -0.00003057875370
                   +1 :              -0.00002134931812
                3s
                   +0 :               0.00020400485373
                4s
                   +0 :              -0.00002662771500
                3p
                   -1 :               0.00005812074339
                   +0 :               0.00022969415633
                   +1 :               0.00010619200757
                4p
                   -1 :               0.00000338199180
                   +0 :              -0.00003868935011
                   +1 :              -0.00002718821028
                3d
                   -2 :               0.00003902495366
                   -1 :               0.00002560621567
                   +0 :               0.00003501998623
                   +1 :               0.00004333722542
                   +2 :              -0.00001637013000
             13 vec=    12.966938     -1.739256     10.693155   |vec|=   16.897043
                2s
                   +0 :              -0.00013561854241
                2p
                   -1 :               0.00002959870652
                   +0 :              -0.00004429415330
                   +1 :              -0.00002582217818
                3s
                   +0 :               0.00053862125625
                4s
                   +0 :              -0.00012644394809
                3p
                   -1 :              -0.00019815331906
                   +0 :               0.00030754152832
                   +1 :               0.00009753955113
                4p
                   -1 :               0.00004589721704
                   +0 :              -0.00004931132573
                   +1 :              -0.00000786161093
                3d
                   -2 :              -0.00002363852686
                   -1 :              -0.00003701172186
                   +0 :               0.00006123019787
                   +1 :               0.00000573204668
                   +2 :              -0.00001548086479
             14 vec=   -10.373550      2.752623    -13.854387   |vec|=   17.525168
                2s
                   +0 :               0.00006790549983
                2p
                   -1 :               0.00002947074428
                   +0 :              -0.00000307285663
                   +1 :              -0.00001785268901
                3s
                   +0 :              -0.00043528972986
                4s
                   +0 :               0.00007750100937
                3p
                   -1 :              -0.00024106862879
                   +0 :               0.00004569019877
                   +1 :               0.00021185306819
                4p
                   -1 :               0.00003199425950
                   +0 :              -0.00000955279060
                   +1 :              -0.00001209904896
                3d
                   -2 :               0.00007379818303
                   -1 :               0.00002168294717
                   +0 :               0.00004410857696
                   +1 :              -0.00001387328099
                   +2 :               0.00001578379156
             15 vec=    -2.593388    -10.723014    -13.854387   |vec|=   17.710244
                2s
                   +0 :              -0.00009541564999
                2p
                   -1 :               0.00006458083199
                   +0 :               0.00000082073878
                   +1 :               0.00000919830715
                3s
                   +0 :               0.00030227057209
                4s
                   +0 :              -0.00006613517391
                3p
                   -1 :              -0.00030155377631
                   +0 :               0.00003570622388
                   +1 :              -0.00005918766208
                4p
                   -1 :               0.00004510370989
                   +0 :              -0.00002670730005
                   +1 :               0.00002082123993
                3d
                   -2 :               0.00003104644221
                   -1 :               0.00002110973002
                   +0 :              -0.00003626189221
                   +1 :              -0.00000617915198
                   +2 :              -0.00005018097520
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al(  9)  npairs=  13
              1 vec=     2.593388     -1.739256      6.602062   |vec|=    7.303279
                2s
                   +0 :               0.00024909253604
                2p
                   -1 :               0.00011484811645
                   +0 :              -0.00056301702381
                   +1 :               0.00018832650982
                3s
                   +0 :              -0.00100570527264
                4s
                   +0 :              -0.00053488243011
                3p
                   -1 :              -0.00368683003177
                   +0 :              -0.00104080870065
                   +1 :              -0.00087369339680
                4p
                   -1 :               0.00051511722189
                   +0 :              -0.00061287487874
                   +1 :              -0.00084763770839
                3d
                   -2 :              -0.00080880671951
                   -1 :              -0.00038195205192
                   +0 :              -0.00102842494178
                   +1 :              -0.00180652662350
                   +2 :              -0.00110122167270
              2 vec=    -5.186775      2.752623      6.602062   |vec|=    8.835541
                2s
                   +0 :               0.00186043547380
                2p
                   -1 :              -0.00027352394602
                   +0 :               0.00028015371852
                   +1 :              -0.00034430971020
                3s
                   +0 :              -0.01735337458962
                4s
                   +0 :               0.00312698328947
                3p
                   -1 :              -0.00148432154437
                   +0 :              -0.00877271482844
                   +1 :               0.00810912356505
                4p
                   -1 :              -0.00065672467275
                   +0 :               0.00083761934601
                   +1 :              -0.00066072159037
                3d
                   -2 :               0.00174488449783
                   -1 :              -0.00114657861646
                   +0 :              -0.00073148847369
                   +1 :               0.00282083855035
                   +2 :              -0.00154638018037
              3 vec=     2.593388      7.244502      6.602062   |vec|=   10.138821
                2s
                   +0 :               0.00107837621849
                2p
                   -1 :               0.00044148196012
                   +0 :               0.00052174234587
                   +1 :               0.00013947629192
                3s
                   +0 :              -0.00399593115317
                4s
                   +0 :               0.00161742060339
                3p
                   -1 :              -0.00214660439628
                   +0 :              -0.00339307005790
                   +1 :              -0.00107803842183
                4p
                   -1 :               0.00071591007849
                   +0 :               0.00088633225491
                   +1 :               0.00017267358227
                3d
                   -2 :              -0.00032502421306
                   -1 :              -0.00058673168207
                   +0 :               0.00011994565514
                   +1 :              -0.00031885145119
                   +2 :               0.00025054645183
              4 vec=    -5.186775     -6.231135      6.602062   |vec|=   10.455472
                2s
                   +0 :               0.00104685784610
                2p
                   -1 :              -0.00045440795482
                   +0 :               0.00019926140812
                   +1 :              -0.00021480734862
                3s
                   +0 :              -0.00448919391033
                4s
                   +0 :               0.00162958304532
                3p
                   -1 :               0.00260261646841
                   +0 :              -0.00197406098308
                   +1 :               0.00151925015198
                4p
                   -1 :              -0.00071513623604
                   +0 :               0.00050974387165
                   +1 :              -0.00046500900382
                3d
                   -2 :              -0.00035483639168
                   -1 :               0.00083077721959
                   +0 :               0.00003261743162
                   +1 :              -0.00007324472505
                   +2 :               0.00036385985821
              5 vec=    10.373550      2.752623      6.602062   |vec|=   12.600583
                2s
                   +0 :               0.00020843848151
                2p
                   -1 :               0.00011618344825
                   +0 :               0.00005108009232
                   +1 :               0.00028505506648
                3s
                   +0 :               0.00013187135325
                4s
                   +0 :              -0.00000229927984
                3p
                   -1 :              -0.00026542299462
                   +0 :               0.00031125902554
                   +1 :              -0.00108633932861
                4p
                   -1 :               0.00008737457040
                   +0 :               0.00000184657486
                   +1 :               0.00034881284951
                3d
                   -2 :              -0.00006632868051
                   -1 :               0.00000037674044
                   +0 :               0.00011717513946
                   +1 :               0.00004678129594
                   +2 :               0.00002757476996
              6 vec=     2.593388    -10.723014      6.602062   |vec|=   12.856745
                2s
                   +0 :              -0.00005168123079
                2p
                   -1 :              -0.00005231744221
                   +0 :               0.00015681541726
                   +1 :               0.00002290385408
                3s
                   +0 :               0.00067261871128
                4s
                   +0 :              -0.00005843837128
                3p
                   -1 :              -0.00017122170628
                   +0 :              -0.00035239473839
                   +1 :              -0.00008441907426
                4p
                   -1 :              -0.00001986066007
                   +0 :               0.00012282200916
                   +1 :               0.00001048256040
                3d
                   -2 :              -0.00000100347752
                   -1 :               0.00009959184964
                   +0 :              -0.00018038135049
                   +1 :              -0.00000796314469
                   +2 :              -0.00022888611006
              7 vec=    10.373550     -6.231135      6.602062   |vec|=   13.784948
                2s
                   +0 :              -0.00000999263276
                2p
                   -1 :               0.00027181294498
                   +0 :              -0.00000495767455
                   +1 :               0.00001758868214
                3s
                   +0 :               0.00060681801773
                4s
                   +0 :              -0.00042886621424
                3p
                   -1 :              -0.00137998708689
                   +0 :               0.00014942861578
                   +1 :               0.00052108729638
                4p
                   -1 :               0.00042586736307
                   +0 :              -0.00012273144362
                   +1 :              -0.00035742071253
                3d
                   -2 :              -0.00006474616629
                   -1 :              -0.00006439506342
                   +0 :              -0.00009562878119
                   +1 :              -0.00000019275129
                   +2 :               0.00015533330965
              8 vec=    -5.186775     11.736381      6.602062   |vec|=   14.430263
                2s
                   +0 :               0.00013999254365
                2p
                   -1 :              -0.00004590768293
                   +0 :               0.00006246448004
                   +1 :              -0.00010555273504
                3s
                   +0 :              -0.00040730120620
                4s
                   +0 :              -0.00001856854945
                3p
                   -1 :               0.00037649509996
                   +0 :              -0.00025263776706
                   +1 :               0.00043243225395
                4p
                   -1 :              -0.00022142138624
                   +0 :               0.00001868626051
                   +1 :              -0.00008186028678
                3d
                   -2 :              -0.00005510941456
                   -1 :              -0.00000753630156
                   +0 :              -0.00005395602981
                   +1 :               0.00007959255478
                   +2 :              -0.00009865142797
              9 vec=   -12.966938     -1.739256      6.602062   |vec|=   14.654477
                2s
                   +0 :              -0.00008066814397
                2p
                   -1 :              -0.00007175126382
                   +0 :              -0.00004136345674
                   +1 :               0.00006531038750
                3s
                   +0 :               0.00003856810845
                4s
                   +0 :               0.00007072715951
                3p
                   -1 :               0.00053130632798
                   +0 :               0.00010116422030
                   +1 :              -0.00032566027644
                4p
                   -1 :              -0.00012515059529
                   +0 :               0.00004156131083
                   +1 :               0.00003631583508
                3d
                   -2 :              -0.00012659325516
                   -1 :               0.00001118539250
                   +0 :              -0.00007171060365
                   +1 :              -0.00006237679105
                   +2 :               0.00002853268953
             10 vec=   -12.966938      7.244502      6.602062   |vec|=   16.254584
                2s
                   +0 :               0.00015437363685
                2p
                   -1 :               0.00001015629236
                   +0 :               0.00004897246059
                   +1 :              -0.00005373198490
                3s
                   +0 :              -0.00051419618803
                4s
                   +0 :               0.00010693524307
                3p
                   -1 :               0.00001835090046
                   +0 :              -0.00022159639977
                   +1 :               0.00022295813137
                4p
                   -1 :              -0.00003589886305
                   +0 :               0.00004505544168
                   +1 :              -0.00003178965650
                3d
                   -2 :              -0.00001111182133
                   -1 :              -0.00001821085406
                   +0 :              -0.00002432037757
                   +1 :               0.00004081937892
                   +2 :              -0.00003041355480
             11 vec=    10.373550     11.736381      6.602062   |vec|=   16.998247
                2s
                   +0 :              -0.00006664972693
                2p
                   -1 :              -0.00000030330022
                   +0 :              -0.00002383396450
                   +1 :              -0.00003892530238
                3s
                   +0 :               0.00039059229861
                4s
                   +0 :              -0.00009647623326
                3p
                   -1 :               0.00005231171947
                   +0 :               0.00018073870360
                   +1 :               0.00021897272699
                4p
                   -1 :              -0.00000524922077
                   +0 :              -0.00002794470671
                   +1 :              -0.00003377380368
                3d
                   -2 :              -0.00000356820486
                   -1 :               0.00001451715338
                   +0 :               0.00001243906142
                   +1 :               0.00005499278025
                   +2 :               0.00004976766238
             12 vec=    -5.186775    -15.214893      6.602062   |vec|=   17.377653
                2s
                   +0 :              -0.00003697884052
                2p
                   -1 :               0.00002160976380
                   +0 :              -0.00003230393824
                   +1 :              -0.00000118702078
                3s
                   +0 :               0.00009313946359
                4s
                   +0 :              -0.00003591055694
                3p
                   -1 :              -0.00008347500523
                   +0 :               0.00014237328098
                   +1 :              -0.00001026173823
                4p
                   -1 :               0.00001831110215
                   +0 :              -0.00004279115229
                   +1 :               0.00000206684581
                3d
                   -2 :              -0.00001564965097
                   -1 :              -0.00003356947377
                   +0 :               0.00001429560790
                   +1 :              -0.00000410723742
                   +2 :               0.00001069594612
             13 vec=     2.593388     16.228260      6.602062   |vec|=   17.710712
                2s
                   +0 :               0.00000509249862
                2p
                   -1 :               0.00001485326820
                   +0 :              -0.00000157699404
                   +1 :               0.00001602054723
                3s
                   +0 :              -0.00004320565256
                4s
                   +0 :               0.00003717233517
                3p
                   -1 :              -0.00012629295748
                   +0 :              -0.00001904393087
                   +1 :              -0.00004079593738
                4p
                   -1 :               0.00005572845331
                   +0 :               0.00001031591660
                   +1 :              -0.00000562714035
                3d
                   -2 :               0.00000784482338
                   -1 :              -0.00000086224699
                   +0 :               0.00001390464017
                   +1 :              -0.00000431063530
                   +2 :               0.00000749982714
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al( 10)  npairs=  15
              1 vec=     2.593388     -1.739256    -10.693155   |vec|=   11.139759
                2s
                   +0 :               0.00076923572044
                2p
                   -1 :               0.00021516529615
                   +0 :              -0.00022891783208
                   +1 :              -0.00001451296320
                3s
                   +0 :              -0.00237984266594
                4s
                   +0 :               0.00051595642538
                3p
                   -1 :              -0.00076040503400
                   +0 :               0.00102570298613
                   +1 :              -0.00088105295316
                4p
                   -1 :               0.00016030755586
                   +0 :              -0.00013562205041
                   +1 :              -0.00003672747594
                3d
                   -2 :               0.00022976008581
                   -1 :               0.00005074406143
                   +0 :               0.00037244639454
                   +1 :               0.00038018599361
                   +2 :               0.00013863129090
              2 vec=    -5.186775      2.752623    -10.693155   |vec|=   12.199309
                2s
                   +0 :               0.00020097960587
                2p
                   -1 :              -0.00019327995395
                   +0 :              -0.00003449655253
                   +1 :              -0.00018063887166
                3s
                   +0 :              -0.00093565993183
                4s
                   +0 :               0.00017939659530
                3p
                   -1 :               0.00095137989912
                   +0 :               0.00010775352639
                   +1 :               0.00089839959844
                4p
                   -1 :              -0.00026077031353
                   +0 :              -0.00004328832728
                   +1 :              -0.00019201930040
                3d
                   -2 :              -0.00021785742672
                   -1 :              -0.00026360722085
                   +0 :               0.00031609026323
                   +1 :              -0.00009998234635
                   +2 :               0.00005690986339
              3 vec=     2.593388      7.244502    -10.693155   |vec|=   13.173915
                2s
                   +0 :               0.00007269613994
                2p
                   -1 :               0.00018787272591
                   +0 :              -0.00010164094829
                   +1 :               0.00009716912001
                3s
                   +0 :               0.00108240554382
                4s
                   +0 :              -0.00006740007130
                3p
                   -1 :               0.00021252526819
                   +0 :              -0.00053466473821
                   +1 :              -0.00039166778321
                4p
                   -1 :               0.00007819467673
                   +0 :              -0.00005379508408
                   +1 :               0.00010213398498
                3d
                   -2 :              -0.00007260684614
                   -1 :              -0.00018043080610
                   +0 :               0.00000885637310
                   +1 :               0.00004505050372
                   +2 :              -0.00017305318170
              4 vec=    -5.186775     -6.231135    -10.693155   |vec|=   13.419137
                2s
                   +0 :              -0.00010172895581
                2p
                   -1 :               0.00002373928373
                   +0 :               0.00000133960555
                   +1 :              -0.00021373965062
                3s
                   +0 :               0.00022426350441
                4s
                   +0 :               0.00008773618463
                3p
                   -1 :              -0.00019418224553
                   +0 :               0.00016404321718
                   +1 :               0.00082140975314
                4p
                   -1 :              -0.00000847950706
                   +0 :              -0.00020225962284
                   +1 :              -0.00016957185528
                3d
                   -2 :               0.00007157125229
                   -1 :               0.00016009639477
                   +0 :              -0.00026554918663
                   +1 :              -0.00020647918098
                   +2 :              -0.00001630429953
              5 vec=     2.593388     -1.739256     13.854387   |vec|=   14.201927
                2s
                   +0 :               0.00009014548788
                2p
                   -1 :               0.00001092040676
                   +0 :              -0.00001271856325
                   +1 :               0.00005759999521
                3s
                   +0 :              -0.00005606279685
                4s
                   +0 :              -0.00000047707042
                3p
                   -1 :              -0.00007158533026
                   +0 :               0.00012229913823
                   +1 :              -0.00030557894113
                4p
                   -1 :               0.00005415286270
                   +0 :              -0.00006674930679
                   +1 :               0.00007893875742
                3d
                   -2 :              -0.00008386953603
                   -1 :              -0.00001356648556
                   +0 :               0.00001518661546
                   +1 :              -0.00000321690167
                   +2 :               0.00002869697666
              6 vec=    -5.186775      2.752623     13.854387   |vec|=   15.047379
                2s
                   +0 :              -0.00001845456977
                2p
                   -1 :               0.00002222541611
                   +0 :              -0.00001715307587
                   +1 :              -0.00000256840551
                3s
                   +0 :              -0.00000343143382
                4s
                   +0 :               0.00002037209176
                3p
                   -1 :              -0.00009433478366
                   +0 :               0.00014197211371
                   +1 :              -0.00012181531978
                4p
                   -1 :               0.00004126010737
                   +0 :              -0.00001497580882
                   +1 :              -0.00000521831426
                3d
                   -2 :               0.00000835607043
                   -1 :              -0.00001583371152
                   +0 :               0.00003971182625
                   +1 :              -0.00001412105038
                   +2 :               0.00001246135984
              7 vec=    10.373550      2.752623    -10.693155   |vec|=   15.150282
                2s
                   +0 :               0.00003956506482
                2p
                   -1 :              -0.00002911205688
                   +0 :              -0.00006655165077
                   +1 :               0.00003891570983
                3s
                   +0 :              -0.00012807235538
                4s
                   +0 :               0.00012888532457
                3p
                   -1 :              -0.00002891428619
                   +0 :               0.00035009516880
                   +1 :              -0.00018970958892
                4p
                   -1 :               0.00001238987727
                   +0 :              -0.00009928820212
                   +1 :               0.00007633763582
                3d
                   -2 :              -0.00006505075802
                   -1 :               0.00005100356487
                   +0 :              -0.00004717752548
                   +1 :               0.00007447422933
                   +2 :              -0.00001659867271
              8 vec=     2.593388    -10.723014    -10.693155   |vec|=   15.363992
                2s
                   +0 :              -0.00011606918513
                2p
                   -1 :               0.00000265707840
                   +0 :               0.00003192357511
                   +1 :              -0.00001513838655
                3s
                   +0 :               0.00024371679317
                4s
                   +0 :              -0.00000135942790
                3p
                   -1 :               0.00018190926723
                   +0 :              -0.00010139578407
                   +1 :              -0.00004137818168
                4p
                   -1 :              -0.00012608326662
                   +0 :               0.00001386754139
                   +1 :               0.00002857345021
                3d
                   -2 :               0.00002479579896
                   -1 :              -0.00001872484349
                   +0 :               0.00001772595592
                   +1 :               0.00003655006258
                   +2 :               0.00005703040656
              9 vec=     2.593388      7.244502     13.854387   |vec|=   15.847792
                2s
                   +0 :               0.00002161392331
                2p
                   -1 :              -0.00000058414233
                   +0 :              -0.00005158228312
                   +1 :               0.00000018306447
                3s
                   +0 :              -0.00009046782632
                4s
                   +0 :              -0.00002841345455
                3p
                   -1 :              -0.00008878282010
                   +0 :               0.00032364244512
                   +1 :              -0.00011380920536
                4p
                   -1 :               0.00001604488086
                   +0 :              -0.00012135104523
                   +1 :              -0.00001076968040
                3d
                   -2 :              -0.00009051103053
                   -1 :               0.00001994164778
                   +0 :               0.00010038817496
                   +1 :              -0.00000962393842
                   +2 :              -0.00000815212525
             10 vec=    -5.186775     -6.231135     13.854387   |vec|=   16.052219
                2s
                   +0 :              -0.00000897779100
                2p
                   -1 :               0.00001448538663
                   +0 :              -0.00003986175136
                   +1 :               0.00002208459643
                3s
                   +0 :              -0.00020791183374
                4s
                   +0 :               0.00003733539416
                3p
                   -1 :               0.00009473444648
                   +0 :               0.00015871906709
                   +1 :              -0.00005025302427
                4p
                   -1 :              -0.00001405841501
                   +0 :              -0.00002899412251
                   +1 :              -0.00001250354920
                3d
                   -2 :               0.00004042380976
                   -1 :              -0.00002959668152
                   +0 :               0.00009081711457
                   +1 :              -0.00000581824426
                   +2 :               0.00004048078837
             11 vec=    10.373550     -6.231135    -10.693155   |vec|=   16.148720
                2s
                   +0 :               0.00029162536549
                2p
                   -1 :              -0.00007974008494
                   +0 :              -0.00013180022236
                   +1 :               0.00010313656108
                3s
                   +0 :              -0.00096162288311
                4s
                   +0 :               0.00033438035705
                3p
                   -1 :               0.00036658247510
                   +0 :               0.00062908961748
                   +1 :              -0.00044032364425
                4p
                   -1 :              -0.00006885361997
                   +0 :              -0.00018661502740
                   +1 :               0.00008989516011
                3d
                   -2 :               0.00004109974108
                   -1 :              -0.00007110330451
                   +0 :              -0.00006643679032
                   +1 :               0.00012142470297
                   +2 :               0.00002968505755
             12 vec=    -5.186775     11.736381    -10.693155   |vec|=   16.702959
                2s
                   +0 :               0.00002936515577
                2p
                   -1 :               0.00000583667682
                   +0 :              -0.00001825538277
                   +1 :              -0.00001907078821
                3s
                   +0 :              -0.00021429538005
                4s
                   +0 :               0.00002816737265
                3p
                   -1 :              -0.00005769309430
                   +0 :               0.00016884496249
                   +1 :               0.00007412435751
                4p
                   -1 :              -0.00000158394214
                   +0 :              -0.00002256824384
                   +1 :              -0.00002544308363
                3d
                   -2 :               0.00002374663334
                   -1 :               0.00003030078814
                   +0 :              -0.00003724095874
                   +1 :              -0.00003851817777
                   +2 :               0.00001208757296
             13 vec=   -12.966938     -1.739256    -10.693155   |vec|=   16.897043
                2s
                   +0 :               0.00013687273568
                2p
                   -1 :              -0.00004897690016
                   +0 :              -0.00005010605433
                   +1 :              -0.00002797813622
                3s
                   +0 :              -0.00052250278764
                4s
                   +0 :               0.00010190663777
                3p
                   -1 :               0.00027355852939
                   +0 :               0.00031278807737
                   +1 :               0.00007915537146
                4p
                   -1 :              -0.00006786997217
                   +0 :              -0.00004626893731
                   +1 :               0.00003102771163
                3d
                   -2 :              -0.00003215827543
                   -1 :              -0.00002015476250
                   +0 :              -0.00006613936638
                   +1 :              -0.00003512709865
                   +2 :               0.00000165637339
             14 vec=    10.373550      2.752623     13.854387   |vec|=   17.525168
                2s
                   +0 :              -0.00005652990815
                2p
                   -1 :              -0.00002429109282
                   +0 :              -0.00000089732801
                   +1 :              -0.00001645490155
                3s
                   +0 :               0.00039670947783
                4s
                   +0 :              -0.00004079706319
                3p
                   -1 :               0.00016202144762
                   +0 :               0.00004287894936
                   +1 :               0.00019510612669
                4p
                   -1 :              -0.00001404766508
                   +0 :              -0.00001108820791
                   +1 :              -0.00000565710192
                3d
                   -2 :               0.00005598027600
                   -1 :               0.00002010308793
                   +0 :              -0.00004975177443
                   +1 :               0.00000153987571
                   +2 :               0.00000839491976
             15 vec=     2.593388    -10.723014     13.854387   |vec|=   17.710244
                2s
                   +0 :               0.00004258789248
                2p
                   -1 :              -0.00002613613607
                   +0 :              -0.00001257813077
                   +1 :               0.00000628333826
                3s
                   +0 :              -0.00006649420245
                4s
                   +0 :              -0.00000723397807
                3p
                   -1 :               0.00007871838324
                   +0 :               0.00010407601123
                   +1 :              -0.00005015383342
                4p
                   -1 :               0.00000048311282
                   +0 :              -0.00004047733898
                   +1 :               0.00000524473990
                3d
                   -2 :               0.00001800080194
                   -1 :              -0.00001963406691
                   +0 :               0.00001702971091
                   +1 :              -0.00000706357415
                   +2 :               0.00001503769726
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al( 11)  npairs=  14
              1 vec=     2.593388     -1.739256      1.580616   |vec|=    3.499860
                2s
                   +0 :               0.03824863526257
                2p
                   -1 :              -0.02222400008395
                   +0 :               0.02359842885710
                   +1 :               0.02798691106081
                3s
                   +0 :               0.07977434125239
                4s
                   +0 :               0.01629064666862
                3p
                   -1 :              -0.05594043192333
                   +0 :               0.04437473395740
                   +1 :               0.02334240404770
                4p
                   -1 :              -0.00867813931411
                   +0 :               0.01108398215391
                   +1 :               0.01888240531502
                3d
                   -2 :              -0.03485897597796
                   -1 :              -0.03507745461649
                   +0 :               0.00481587422664
                   +1 :               0.03518394220883
                   +2 :              -0.00650453471277
              2 vec=    -5.186775      2.752623      1.580616   |vec|=    6.080947
                2s
                   +0 :               0.00342918614925
                2p
                   -1 :               0.00165997249610
                   +0 :               0.00165006462339
                   +1 :              -0.00149662990217
                3s
                   +0 :              -0.00257172990634
                4s
                   +0 :               0.00462646787410
                3p
                   -1 :              -0.00814132336815
                   +0 :              -0.00882695460818
                   +1 :               0.00287879879812
                4p
                   -1 :               0.00313104909445
                   +0 :               0.00310041191117
                   +1 :              -0.00124940091501
                3d
                   -2 :               0.00440682655956
                   -1 :              -0.00150972547587
                   +0 :               0.00279868249626
                   +1 :               0.00267448796427
                   +2 :              -0.00196971827800
              3 vec=     2.593388      7.244502      1.580616   |vec|=    7.855369
                2s
                   +0 :               0.00022553378417
                2p
                   -1 :              -0.00020383518103
                   +0 :              -0.00073364605246
                   +1 :               0.00016560308163
                3s
                   +0 :               0.00965793134220
                4s
                   +0 :              -0.00012275273214
                3p
                   -1 :               0.00673891997273
                   +0 :               0.00917421011645
                   +1 :              -0.00150455927758
                4p
                   -1 :               0.00008608573446
                   +0 :              -0.00090535578176
                   +1 :              -0.00010354975696
                3d
                   -2 :              -0.00079512883838
                   -1 :               0.00393991811013
                   +0 :               0.00045650640879
                   +1 :               0.00029643544677
                   +2 :              -0.00160178769240
              4 vec=    -5.186775     -6.231135      1.580616   |vec|=    8.260026
                2s
                   +0 :               0.00064597872548
                2p
                   -1 :               0.00088255160008
                   +0 :               0.00057135348262
                   +1 :              -0.00047281412590
                3s
                   +0 :              -0.00509062964707
                4s
                   +0 :               0.00139685491961
                3p
                   -1 :              -0.00701712923733
                   +0 :              -0.00554358156406
                   +1 :               0.00432762962329
                4p
                   -1 :               0.00100274306684
                   +0 :               0.00106698102631
                   +1 :              -0.00106816502893
                3d
                   -2 :               0.00231027571362
                   -1 :              -0.00136350920051
                   +0 :              -0.00088723349261
                   +1 :               0.00190652483607
                   +2 :              -0.00194746519059
              5 vec=    10.373550      2.752623      1.580616   |vec|=   10.848310
                2s
                   +0 :              -0.00047553027996
                2p
                   -1 :               0.00025644740741
                   +0 :               0.00013685842316
                   +1 :              -0.00050695283059
                3s
                   +0 :               0.00207224032864
                4s
                   +0 :              -0.00038424634675
                3p
                   -1 :              -0.00101545024138
                   +0 :               0.00002255858123
                   +1 :               0.00243556434108
                4p
                   -1 :               0.00031223616464
                   +0 :              -0.00001483249577
                   +1 :              -0.00044700103414
                3d
                   -2 :              -0.00035469092458
                   -1 :               0.00011337699276
                   +0 :              -0.00021744471915
                   +1 :               0.00021588991912
                   +2 :               0.00094387420310
              6 vec=     2.593388    -10.723014      1.580616   |vec|=   11.144821
                2s
                   +0 :               0.00039233507180
                2p
                   -1 :              -0.00000448811836
                   +0 :              -0.00019774320046
                   +1 :               0.00010435359697
                3s
                   +0 :              -0.00189144927847
                4s
                   +0 :              -0.00018341344524
                3p
                   -1 :               0.00004944546582
                   +0 :               0.00053651709724
                   +1 :              -0.00126504198208
                4p
                   -1 :               0.00029438788566
                   +0 :              -0.00017462335004
                   +1 :               0.00005671911655
                3d
                   -2 :               0.00081771085194
                   -1 :              -0.00038145198504
                   +0 :              -0.00028674892755
                   +1 :              -0.00045279835316
                   +2 :              -0.00020499523925
              7 vec=    10.373550     -6.231135      1.580616   |vec|=   12.203931
                2s
                   +0 :              -0.00003435114260
                2p
                   -1 :               0.00012327902606
                   +0 :               0.00006566387022
                   +1 :               0.00007717557710
                3s
                   +0 :               0.00066768966297
                4s
                   +0 :               0.00002997852079
                3p
                   -1 :              -0.00074638855600
                   +0 :               0.00011445258075
                   +1 :               0.00015679689751
                4p
                   -1 :               0.00030187841018
                   +0 :               0.00008332172382
                   +1 :               0.00010933497042
                3d
                   -2 :              -0.00003058615777
                   -1 :               0.00007489288929
                   +0 :              -0.00007170195481
                   +1 :               0.00006213162037
                   +2 :               0.00010429433628
              8 vec=    -5.186775     11.736381      1.580616   |vec|=   12.928404
                2s
                   +0 :              -0.00009295549527
                2p
                   -1 :              -0.00007700554754
                   +0 :              -0.00012761429177
                   +1 :              -0.00000901409337
                3s
                   +0 :              -0.00078054212249
                4s
                   +0 :               0.00007608247883
                3p
                   -1 :              -0.00042837846936
                   +0 :              -0.00006584582776
                   +1 :              -0.00045155688322
                4p
                   -1 :               0.00003387349769
                   +0 :              -0.00012177410007
                   +1 :              -0.00001161357622
                3d
                   -2 :              -0.00026824619394
                   -1 :              -0.00018167059713
                   +0 :              -0.00017516122067
                   +1 :              -0.00015077434053
                   +2 :               0.00010456256312
              9 vec=   -12.966938     -1.739256      1.580616   |vec|=   13.178195
                2s
                   +0 :               0.00007171912303
                2p
                   -1 :               0.00016808427844
                   +0 :               0.00007502891614
                   +1 :               0.00002456878520
                3s
                   +0 :              -0.00267880388541
                4s
                   +0 :               0.00006151318255
                3p
                   -1 :               0.00058007823871
                   +0 :              -0.00229562735830
                   +1 :               0.00115054304993
                4p
                   -1 :               0.00014405820728
                   +0 :               0.00032700183252
                   +1 :               0.00009405004746
                3d
                   -2 :              -0.00040820092822
                   -1 :               0.00051227610528
                   +0 :              -0.00023765307657
                   +1 :               0.00085668574258
                   +2 :              -0.00004541493812
             10 vec=   -12.966938      7.244502      1.580616   |vec|=   14.937290
                2s
                   +0 :               0.00016604879919
                2p
                   -1 :               0.00000614887351
                   +0 :              -0.00002603975289
                   +1 :               0.00000071519386
                3s
                   +0 :              -0.00082081825195
                4s
                   +0 :               0.00014687005630
                3p
                   -1 :              -0.00004078258831
                   +0 :              -0.00003636734522
                   +1 :               0.00000600609033
                4p
                   -1 :              -0.00002952360497
                   +0 :              -0.00005364230828
                   +1 :               0.00001073891139
                3d
                   -2 :              -0.00005461893408
                   -1 :              -0.00003136465590
                   +0 :              -0.00004466120151
                   +1 :              -0.00005327456521
                   +2 :               0.00000097312687
             11 vec=    10.373550     11.736381      1.580616   |vec|=   15.743301
                2s
                   +0 :              -0.00005979433572
                2p
                   -1 :               0.00000347106433
                   +0 :              -0.00000920665862
                   +1 :              -0.00003796825135
                3s
                   +0 :               0.00023160872022
                4s
                   +0 :              -0.00008389214047
                3p
                   -1 :               0.00004611199915
                   +0 :               0.00009082012314
                   +1 :               0.00024098621858
                4p
                   -1 :              -0.00001948461184
                   +0 :              -0.00002721163444
                   +1 :              -0.00006433153530
                3d
                   -2 :               0.00005950499614
                   -1 :              -0.00000247740847
                   +0 :              -0.00004325658950
                   +1 :              -0.00000302995947
                   +2 :               0.00004328247074
             12 vec=    -5.186775    -15.214893      1.580616   |vec|=   16.152212
                2s
                   +0 :              -0.00001455014920
                2p
                   -1 :               0.00001646062557
                   +0 :              -0.00000325416937
                   +1 :               0.00000138658182
                3s
                   +0 :               0.00019462254354
                4s
                   +0 :              -0.00010820522040
                3p
                   -1 :              -0.00019120374481
                   +0 :               0.00007290442458
                   +1 :              -0.00010234519495
                4p
                   -1 :               0.00011770250891
                   +0 :              -0.00003431053421
                   +1 :               0.00001290236428
                3d
                   -2 :              -0.00003565222348
                   -1 :               0.00002234316405
                   +0 :               0.00003880123945
                   +1 :              -0.00002753863095
                   +2 :               0.00001820622067
             13 vec=     2.593388     16.228260      1.580616   |vec|=   16.510010
                2s
                   +0 :               0.00002975577331
                2p
                   -1 :               0.00000396102860
                   +0 :              -0.00001443966130
                   +1 :              -0.00001812944428
                3s
                   +0 :              -0.00027375843808
                4s
                   +0 :               0.00004114133135
                3p
                   -1 :              -0.00017897915459
                   +0 :              -0.00002144203381
                   +1 :               0.00009510762035
                4p
                   -1 :               0.00001775365464
                   +0 :              -0.00001677820379
                   +1 :              -0.00000389152602
                3d
                   -2 :               0.00002010984286
                   -1 :              -0.00004631369198
                   +0 :              -0.00000472459612
                   +1 :               0.00002648330974
                   +2 :               0.00002164637708
             14 vec=   -12.966938    -10.723014      1.580616   |vec|=   16.900380
                2s
                   +0 :               0.00000215048100
                2p
                   -1 :               0.00002645895555
                   +0 :              -0.00000979731292
                   +1 :              -0.00000991993259
                3s
                   +0 :              -0.00022343647118
                4s
                   +0 :               0.00008435280936
                3p
                   -1 :              -0.00008435195903
                   +0 :              -0.00006948384623
                   +1 :               0.00018070212141
                4p
                   -1 :               0.00001493833477
                   +0 :               0.00000831276478
                   +1 :              -0.00006150410284
                3d
                   -2 :               0.00002283262637
                   -1 :               0.00000188416627
                   +0 :              -0.00000426732285
                   +1 :               0.00004282769531
                   +2 :              -0.00003394197479
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site Al( 12)  npairs=  14
              1 vec=     2.593388     -1.739256     -5.671710   |vec|=    6.474485
                2s
                   +0 :              -0.00216320235454
                2p
                   -1 :               0.00088869270082
                   +0 :               0.00178671932049
                   +1 :              -0.00017124376415
                3s
                   +0 :               0.00624701539731
                4s
                   +0 :              -0.00462246978881
                3p
                   -1 :              -0.00424193870812
                   +0 :              -0.01274714395519
                   +1 :               0.00093119978613
                4p
                   -1 :               0.00108017890625
                   +0 :               0.00530463686837
                   +1 :              -0.00073263368025
                3d
                   -2 :              -0.00142970456537
                   -1 :              -0.00040490593217
                   +0 :               0.00317331421450
                   +1 :              -0.00206319350809
                   +2 :               0.00108284837909
              2 vec=    -5.186775      2.752623     -5.671710   |vec|=    8.163814
                2s
                   +0 :              -0.00047789590019
                2p
                   -1 :              -0.00050300560521
                   +0 :              -0.00017733882950
                   +1 :              -0.00022441132356
                3s
                   +0 :              -0.00464281734049
                4s
                   +0 :               0.00028811446815
                3p
                   -1 :               0.00090905686038
                   +0 :              -0.00097852392534
                   +1 :               0.00493569280825
                4p
                   -1 :              -0.00065612862817
                   +0 :              -0.00015563073820
                   +1 :              -0.00022062839583
                3d
                   -2 :               0.00136206794150
                   -1 :              -0.00090309677070
                   +0 :               0.00196700003220
                   +1 :               0.00043796580014
                   +2 :              -0.00116366741896
              3 vec=     2.593388      7.244502     -5.671710   |vec|=    9.559119
                2s
                   +0 :               0.00066037320354
                2p
                   -1 :               0.00035546712787
                   +0 :              -0.00045611441990
                   +1 :               0.00075408346755
                3s
                   +0 :              -0.00217671023442
                4s
                   +0 :               0.00079447003104
                3p
                   -1 :              -0.00238578081832
                   +0 :               0.00138972326307
                   +1 :              -0.00308679540214
                4p
                   -1 :               0.00078412191666
                   +0 :              -0.00026839484732
                   +1 :               0.00050545543445
                3d
                   -2 :              -0.00042902940142
                   -1 :               0.00034796407024
                   +0 :               0.00032724870739
                   +1 :               0.00036188379488
                   +2 :              -0.00002674641766
              4 vec=    -5.186775     -6.231135     -5.671710   |vec|=    9.894340
                2s
                   +0 :              -0.00130984943113
                2p
                   -1 :               0.00113865593937
                   +0 :              -0.00039570680928
                   +1 :              -0.00077761008429
                3s
                   +0 :               0.00331638280205
                4s
                   +0 :              -0.00068667675214
                3p
                   -1 :              -0.00473288779815
                   +0 :               0.00291263349019
                   +1 :               0.00405005313355
                4p
                   -1 :               0.00061211388754
                   +0 :              -0.00130533625603
                   +1 :              -0.00097225401113
                3d
                   -2 :              -0.00046690548085
                   -1 :              -0.00024012899655
                   +0 :              -0.00071197213882
                   +1 :              -0.00068040750506
                   +2 :              -0.00076187890405
              5 vec=    10.373550      2.752623     -5.671710   |vec|=   12.139018
                2s
                   +0 :               0.00033577850953
                2p
                   -1 :               0.00019088617444
                   +0 :              -0.00011309379039
                   +1 :               0.00020505962043
                3s
                   +0 :              -0.00080191387892
                4s
                   +0 :               0.00040768421662
                3p
                   -1 :              -0.00076060373192
                   +0 :               0.00035898404474
                   +1 :              -0.00086802232670
                4p
                   -1 :               0.00025078411936
                   +0 :              -0.00016768618580
                   +1 :               0.00024975677796
                3d
                   -2 :              -0.00010127787813
                   -1 :               0.00015464284230
                   +0 :               0.00007024014536
                   +1 :               0.00011577039069
                   +2 :              -0.00002748640832
              6 vec=     2.593388    -10.723014     -5.671710   |vec|=   12.404716
                2s
                   +0 :              -0.00007620248823
                2p
                   -1 :               0.00012665220952
                   +0 :               0.00006768555307
                   +1 :               0.00012189522388
                3s
                   +0 :               0.00045647047104
                4s
                   +0 :               0.00004943068110
                3p
                   -1 :              -0.00076735998494
                   +0 :              -0.00013159906428
                   +1 :              -0.00054559463169
                4p
                   -1 :               0.00001924927512
                   +0 :              -0.00003885315263
                   +1 :               0.00016953080170
                3d
                   -2 :              -0.00007596856127
                   -1 :               0.00015452659705
                   +0 :              -0.00006074686937
                   +1 :               0.00001408373664
                   +2 :              -0.00032361364427
              7 vec=    10.373550     -6.231135     -5.671710   |vec|=   13.364351
                2s
                   +0 :               0.00017412385844
                2p
                   -1 :              -0.00004586974352
                   +0 :               0.00003700636645
                   +1 :               0.00000221008592
                3s
                   +0 :              -0.00059438003435
                4s
                   +0 :               0.00021485456971
                3p
                   -1 :               0.00028089917068
                   +0 :              -0.00008962368959
                   +1 :              -0.00014804370984
                4p
                   -1 :              -0.00010010082370
                   +0 :               0.00001890794814
                   +1 :               0.00009825261979
                3d
                   -2 :              -0.00008446885335
                   -1 :               0.00013223797670
                   +0 :               0.00008476132823
                   +1 :               0.00002868970565
                   +2 :              -0.00000802978728
              8 vec=    -5.186775     11.736381     -5.671710   |vec|=   14.029026
                2s
                   +0 :               0.00023284752652
                2p
                   -1 :              -0.00006185667616
                   +0 :              -0.00004984524681
                   +1 :              -0.00011619954176
                3s
                   +0 :              -0.00078245675288
                4s
                   +0 :               0.00017850188355
                3p
                   -1 :               0.00036130820352
                   +0 :               0.00023916707971
                   +1 :               0.00061372358783
                4p
                   -1 :              -0.00014103707727
                   +0 :              -0.00008410453484
                   +1 :              -0.00012373022919
                3d
                   -2 :               0.00004191299577
                   -1 :              -0.00011038328120
                   +0 :               0.00000124926617
                   +1 :              -0.00013952390653
                   +2 :              -0.00012684260644
              9 vec=   -12.966938     -1.739256     -5.671710   |vec|=   14.259550
                2s
                   +0 :              -0.00000646048301
                2p
                   -1 :               0.00004103081617
                   +0 :               0.00007062006538
                   +1 :               0.00012362582168
                3s
                   +0 :               0.00005674107955
                4s
                   +0 :              -0.00005938613553
                3p
                   -1 :              -0.00021189422547
                   +0 :              -0.00024550733880
                   +1 :              -0.00070449478037
                4p
                   -1 :               0.00004279547498
                   +0 :               0.00003002161764
                   +1 :               0.00018378056835
                3d
                   -2 :              -0.00001828758603
                   -1 :               0.00015564411566
                   +0 :              -0.00011590568216
                   +1 :               0.00011780115980
                   +2 :               0.00014018370053
             10 vec=   -12.966938      7.244502     -5.671710   |vec|=   15.899452
                2s
                   +0 :              -0.00019120272145
                2p
                   -1 :              -0.00007585455307
                   +0 :               0.00003058458359
                   +1 :               0.00013320320956
                3s
                   +0 :               0.00057839067223
                4s
                   +0 :              -0.00016800720911
                3p
                   -1 :               0.00038866660507
                   +0 :              -0.00003159342452
                   +1 :              -0.00067679584943
                4p
                   -1 :              -0.00009223555649
                   +0 :              -0.00003591644702
                   +1 :               0.00014238466396
                3d
                   -2 :              -0.00015826024738
                   -1 :              -0.00001499805901
                   +0 :              -0.00009523190841
                   +1 :               0.00007369166153
                   +2 :               0.00006799993548
             11 vec=    10.373550     11.736381     -5.671710   |vec|=   16.658976
                2s
                   +0 :               0.00004536410537
                2p
                   -1 :               0.00000090534321
                   +0 :               0.00000919542861
                   +1 :              -0.00001118486900
                3s
                   +0 :               0.00001757299642
                4s
                   +0 :               0.00002869499079
                3p
                   -1 :               0.00002671288014
                   +0 :              -0.00006824068167
                   +1 :               0.00017360437553
                4p
                   -1 :               0.00000784790917
                   +0 :               0.00001614036924
                   +1 :              -0.00003429224393
                3d
                   -2 :               0.00003012625683
                   -1 :              -0.00000455193156
                   +0 :              -0.00001906136565
                   +1 :               0.00000110722311
                   +2 :               0.00001838691248
             12 vec=    -5.186775    -15.214893     -5.671710   |vec|=   17.045934
                2s
                   +0 :              -0.00010523819703
                2p
                   -1 :               0.00006807156635
                   +0 :               0.00003507855722
                   +1 :               0.00001817982225
                3s
                   +0 :               0.00042343600062
                4s
                   +0 :              -0.00013432258558
                3p
                   -1 :              -0.00039166182266
                   +0 :              -0.00020236157392
                   +1 :              -0.00012737923493
                4p
                   -1 :               0.00008913337051
                   +0 :               0.00004444835153
                   +1 :               0.00005808964764
                3d
                   -2 :              -0.00001306927322
                   -1 :               0.00011611599285
                   +0 :               0.00001410965049
                   +1 :               0.00000342210766
                   +2 :              -0.00008156511250
             13 vec=     2.593388     16.228260     -5.671710   |vec|=   17.385350
                2s
                   +0 :              -0.00002295016325
                2p
                   -1 :              -0.00000760065138
                   +0 :              -0.00001948685049
                   +1 :              -0.00002580498694
                3s
                   +0 :               0.00001732068665
                4s
                   +0 :               0.00001364106317
                3p
                   -1 :              -0.00000633094400
                   +0 :               0.00007876448092
                   +1 :               0.00012384551469
                4p
                   -1 :               0.00001614229923
                   +0 :              -0.00001071586065
                   +1 :              -0.00004599722266
                3d
                   -2 :               0.00001161985337
                   -1 :               0.00000293970110
                   +0 :              -0.00000390305441
                   +1 :              -0.00000197976619
                   +2 :              -0.00000757474572
             14 vec=   -12.966938    -10.723014     -5.671710   |vec|=   17.756486
                2s
                   +0 :               0.00000325407658
                2p
                   -1 :               0.00001395520882
                   +0 :              -0.00001587862147
                   +1 :              -0.00000924654932
                3s
                   +0 :              -0.00012823007388
                4s
                   +0 :               0.00005868395985
                3p
                   -1 :               0.00005141486422
                   +0 :               0.00002907689908
                   +1 :               0.00006292515109
                4p
                   -1 :              -0.00004199227063
                   +0 :               0.00002235795570
                   +1 :              -0.00000810926724
                3d
                   -2 :               0.00003180525288
                   -1 :               0.00003123981571
                   +0 :               0.00000532316005
                   +1 :              -0.00002642357814
                   +2 :              -0.00001817673153
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 13)  npairs=  14
              1 vec=     2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00002867146748
                2s
                   +0 :              -0.00035525129371
                3s
                   +0 :               0.00013838406114
                2p
                   -1 :              -0.00001227534133
                   +0 :               0.00020493760112
                   +1 :              -0.00014292530975
                3p
                   -1 :              -0.00006935963978
                   +0 :              -0.00007137008471
                   +1 :               0.00001540832226
                3d
                   -2 :              -0.00001718925982
                   -1 :              -0.00001110731652
                   +0 :              -0.00001846331905
                   +1 :               0.00000905536170
                   +2 :              -0.00001616796671
              2 vec=     2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006961125243
                2s
                   +0 :               0.00075872347866
                3s
                   +0 :              -0.00022313311881
                2p
                   -1 :              -0.00024354718674
                   +0 :               0.00038892896954
                   +1 :               0.00002210500820
                3p
                   -1 :               0.00017374031547
                   +0 :              -0.00020074351041
                   +1 :              -0.00008591011566
                3d
                   -2 :              -0.00000864417239
                   -1 :               0.00000872066583
                   +0 :              -0.00001527383511
                   +1 :              -0.00002217378144
                   +2 :               0.00000835816297
              3 vec=    -5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002087484472
                2s
                   +0 :              -0.00038638525396
                3s
                   +0 :               0.00001107259926
                2p
                   -1 :               0.00044891406556
                   +0 :               0.00030486931875
                   +1 :              -0.00007740589171
                3p
                   -1 :              -0.00012561620054
                   +0 :              -0.00004982178733
                   +1 :              -0.00001726798795
                3d
                   -2 :              -0.00001154478232
                   -1 :              -0.00000844526666
                   +0 :              -0.00001977315522
                   +1 :              -0.00000108347291
                   +2 :               0.00002351462525
              4 vec=    -5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00002385954278
                2s
                   +0 :              -0.00010759146433
                3s
                   +0 :              -0.00021147273578
                2p
                   -1 :               0.00029760608964
                   +0 :              -0.00000661078856
                   +1 :              -0.00048074976511
                3p
                   -1 :              -0.00002657439653
                   +0 :              -0.00025027679676
                   +1 :               0.00032255622238
                3d
                   -2 :               0.00000645595752
                   -1 :               0.00003479509318
                   +0 :              -0.00002499911000
                   +1 :               0.00003254929340
                   +2 :              -0.00000675654570
              5 vec=    -5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00008665757305
                2s
                   +0 :              -0.00072240841704
                3s
                   +0 :               0.00020025783237
                2p
                   -1 :              -0.00033588254982
                   +0 :               0.00067008279641
                   +1 :               0.00030926853018
                3p
                   -1 :               0.00016776374393
                   +0 :              -0.00018878755340
                   +1 :              -0.00009155709785
                3d
                   -2 :              -0.00001578357960
                   -1 :              -0.00001106573115
                   +0 :              -0.00000478601494
                   +1 :              -0.00001747192523
                   +2 :              -0.00000138522739
              6 vec=    -5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00003554824188
                2s
                   +0 :              -0.00039608602682
                3s
                   +0 :               0.00007667432364
                2p
                   -1 :               0.00019919213862
                   +0 :              -0.00019136136717
                   +1 :               0.00002603796494
                3p
                   -1 :              -0.00013350836343
                   +0 :               0.00001373229843
                   +1 :               0.00005552515105
                3d
                   -2 :               0.00000497364524
                   -1 :               0.00000437234643
                   +0 :               0.00000462663964
                   +1 :               0.00001243778066
                   +2 :              -0.00001082516500
              7 vec=     2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00001650977905
                2s
                   +0 :               0.00002721913749
                3s
                   +0 :              -0.00007247211095
                2p
                   -1 :               0.00007313864312
                   +0 :              -0.00008804203446
                   +1 :               0.00024316186257
                3p
                   -1 :              -0.00002190934106
                   +0 :               0.00021983600076
                   +1 :              -0.00022004208786
                3d
                   -2 :               0.00000053208889
                   -1 :              -0.00001675075650
                   +0 :              -0.00003635884611
                   +1 :               0.00001965116479
                   +2 :               0.00000886532062
              8 vec=     2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00004402756358
                2s
                   +0 :               0.00031854608067
                3s
                   +0 :              -0.00010514223402
                2p
                   -1 :              -0.00013723542971
                   +0 :               0.00029420418129
                   +1 :               0.00002300573410
                3p
                   -1 :               0.00007969618064
                   +0 :              -0.00025304701134
                   +1 :               0.00003131214101
                3d
                   -2 :              -0.00000731485646
                   -1 :               0.00000097346740
                   +0 :              -0.00001472967975
                   +1 :               0.00001855760946
                   +2 :               0.00001482340707
              9 vec=     2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00000902672354
                2s
                   +0 :               0.00005820339686
                3s
                   +0 :              -0.00003791490926
                2p
                   -1 :               0.00014655073553
                   +0 :              -0.00008148427675
                   +1 :              -0.00014415720976
                3p
                   -1 :              -0.00010385894199
                   +0 :               0.00002841523244
                   +1 :               0.00011843182946
                3d
                   -2 :               0.00000508670662
                   -1 :               0.00000738370963
                   +0 :               0.00000130995381
                   +1 :              -0.00000641526865
                   +2 :               0.00000476197263
             10 vec=     2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00001844159762
                2s
                   +0 :               0.00012571583621
                3s
                   +0 :              -0.00003798358635
                2p
                   -1 :               0.00010328623262
                   +0 :               0.00007551298835
                   +1 :              -0.00001491342647
                3p
                   -1 :              -0.00004796363206
                   +0 :              -0.00002132597920
                   +1 :              -0.00001482295735
                3d
                   -2 :              -0.00000031457213
                   -1 :               0.00000444796931
                   +0 :               0.00000486822888
                   +1 :              -0.00000172443771
                   +2 :              -0.00000118286855
             11 vec=    10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00000268117387
                2s
                   +0 :              -0.00000083977594
                3s
                   +0 :               0.00001542380553
                2p
                   -1 :              -0.00024216510224
                   +0 :               0.00013280601484
                   +1 :              -0.00008898334197
                3p
                   -1 :               0.00021218082547
                   +0 :              -0.00017795226857
                   +1 :               0.00010475114810
                3d
                   -2 :               0.00001050986643
                   -1 :              -0.00002253669151
                   +0 :               0.00000841935631
                   +1 :              -0.00000512611994
                   +2 :               0.00001506012747
             12 vec=    10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001094019345
                2s
                   +0 :              -0.00013118648708
                3s
                   +0 :               0.00000930026292
                2p
                   -1 :              -0.00003408613221
                   +0 :              -0.00008705870114
                   +1 :              -0.00016681199103
                3p
                   -1 :               0.00002808188158
                   +0 :              -0.00001855573382
                   +1 :               0.00011321754474
                3d
                   -2 :              -0.00000988202835
                   -1 :               0.00000584357291
                   +0 :              -0.00002877538207
                   +1 :              -0.00002005579303
                   +2 :              -0.00000503479651
             13 vec=    10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001230019686
                2s
                   +0 :               0.00014931574992
                3s
                   +0 :              -0.00003384272492
                2p
                   -1 :               0.00010709678274
                   +0 :              -0.00019866523700
                   +1 :               0.00012643246991
                3p
                   -1 :              -0.00003228335461
                   +0 :               0.00005789650606
                   +1 :              -0.00006106135319
                3d
                   -2 :               0.00000491337825
                   -1 :              -0.00000121361588
                   +0 :              -0.00000273709973
                   +1 :               0.00000161098108
                   +2 :              -0.00000047836952
             14 vec=    10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001385870744
                2s
                   +0 :               0.00017480916545
                3s
                   +0 :               0.00000605648418
                2p
                   -1 :               0.00002591539928
                   +0 :               0.00006788995914
                   +1 :               0.00011466696742
                3p
                   -1 :               0.00001357223120
                   +0 :               0.00001664394144
                   +1 :               0.00000203806797
                3d
                   -2 :               0.00000097713408
                   -1 :              -0.00000138880357
                   +0 :               0.00000362496249
                   +1 :               0.00000784332005
                   +2 :               0.00000377632106
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 14)  npairs=  14
              1 vec=    -2.383842      1.376312    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00004813430368
                2s
                   +0 :              -0.00057544779555
                3s
                   +0 :               0.00016045141997
                2p
                   -1 :               0.00024506481851
                   +0 :               0.00034018633991
                   +1 :              -0.00015559272044
                3p
                   -1 :              -0.00016483042836
                   +0 :              -0.00018208391096
                   +1 :               0.00004519864165
                3d
                   -2 :              -0.00000862049469
                   -1 :               0.00000055968337
                   +0 :               0.00001682031560
                   +1 :               0.00000020628144
                   +2 :              -0.00001881401390
              2 vec=    -2.383842      1.376312     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00002914896198
                2s
                   +0 :               0.00028748188632
                3s
                   +0 :              -0.00014637410065
                2p
                   -1 :              -0.00000472793524
                   +0 :               0.00006919038664
                   +1 :              -0.00020789052356
                3p
                   -1 :               0.00008232666917
                   +0 :              -0.00001509340439
                   +1 :               0.00009011266074
                3d
                   -2 :              -0.00001476576807
                   -1 :              -0.00001337695771
                   +0 :               0.00001519085114
                   +1 :              -0.00000180872633
                   +2 :               0.00000480673203
              3 vec=     5.396321     -3.115567    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002327025886
                2s
                   +0 :               0.00019129865421
                3s
                   +0 :               0.00022107523769
                2p
                   -1 :              -0.00038908053616
                   +0 :              -0.00012601172136
                   +1 :              -0.00038221869772
                3p
                   -1 :               0.00004494390763
                   +0 :              -0.00030942655856
                   +1 :               0.00024339597107
                3d
                   -2 :              -0.00000320342412
                   -1 :               0.00003924698560
                   +0 :               0.00004726721985
                   +1 :              -0.00002185267283
                   +2 :              -0.00000053638824
              4 vec=     5.396321     -3.115567     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000444020456
                2s
                   +0 :               0.00023060857254
                3s
                   +0 :               0.00006843910978
                2p
                   -1 :              -0.00026386611542
                   +0 :               0.00029589854693
                   +1 :               0.00011511628849
                3p
                   -1 :               0.00003500801512
                   +0 :              -0.00009592532488
                   +1 :              -0.00020682260390
                3d
                   -2 :              -0.00000303857086
                   -1 :              -0.00002158302944
                   +0 :               0.00001316564346
                   +1 :              -0.00002761829158
                   +2 :              -0.00000727049307
              5 vec=    -2.383842     -7.607446    -12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000793839974
                2s
                   +0 :              -0.00004772360269
                3s
                   +0 :               0.00001539862685
                2p
                   -1 :               0.00029243295001
                   +0 :               0.00023863973530
                   +1 :              -0.00007452458362
                3p
                   -1 :              -0.00024282040148
                   +0 :              -0.00028548413177
                   +1 :               0.00004812223901
                3d
                   -2 :               0.00001808437438
                   -1 :               0.00002503091555
                   +0 :               0.00002252215013
                   +1 :              -0.00000637658090
                   +2 :              -0.00002535256988
              6 vec=    -2.383842     -7.607446     12.273771   |vec|=   14.635621
                1s
                   +0 :               0.00000259471758
                2s
                   +0 :               0.00001004219312
                3s
                   +0 :              -0.00001808169165
                2p
                   -1 :              -0.00014946528535
                   +0 :              -0.00008185773949
                   +1 :              -0.00001003128181
                3p
                   -1 :               0.00014889263024
                   +0 :               0.00007316378677
                   +1 :               0.00003781503139
                3d
                   -2 :              -0.00001125260066
                   -1 :               0.00000406575361
                   +0 :               0.00000906276503
                   +1 :               0.00001528326815
                   +2 :              -0.00001291977637
              7 vec=     5.396321      5.868191    -12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00002432664613
                2s
                   +0 :               0.00026277256030
                3s
                   +0 :              -0.00007181674279
                2p
                   -1 :              -0.00008671832273
                   +0 :              -0.00020801454199
                   +1 :               0.00019191804491
                3p
                   -1 :               0.00005141337551
                   +0 :               0.00003390191197
                   +1 :              -0.00003641234012
                3d
                   -2 :               0.00000950087624
                   -1 :               0.00001013896341
                   +0 :              -0.00000884185653
                   +1 :              -0.00001025531828
                   +2 :               0.00000556277281
              8 vec=     5.396321      5.868191     12.273771   |vec|=   14.635621
                1s
                   +0 :              -0.00009867078620
                2s
                   +0 :               0.00088035140932
                3s
                   +0 :              -0.00019808233314
                2p
                   -1 :               0.00038670869054
                   +0 :               0.00057042386459
                   +1 :               0.00024161953628
                3p
                   -1 :              -0.00023708175181
                   +0 :              -0.00018130473828
                   +1 :              -0.00010840563782
                3d
                   -2 :              -0.00001146963812
                   -1 :              -0.00001707627214
                   +0 :               0.00001005783899
                   +1 :               0.00001726786884
                   +2 :               0.00000127566753
              9 vec=   -10.164004     -3.115567    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00004030863706
                2s
                   +0 :              -0.00027323670263
                3s
                   +0 :               0.00012073035448
                2p
                   -1 :               0.00018669156634
                   +0 :               0.00026914993122
                   +1 :               0.00020993701612
                3p
                   -1 :              -0.00015831425635
                   +0 :              -0.00014752858508
                   +1 :              -0.00013769259040
                3d
                   -2 :               0.00000125760636
                   -1 :               0.00001113486109
                   +0 :               0.00000691811995
                   +1 :               0.00001566554969
                   +2 :               0.00001220148565
             10 vec=   -10.164004     -3.115567     12.273771   |vec|=   16.237586
                1s
                   +0 :              -0.00002908741876
                2s
                   +0 :               0.00024425306760
                3s
                   +0 :              -0.00009449957029
                2p
                   -1 :               0.00001889849735
                   +0 :               0.00038390477441
                   +1 :              -0.00005718127074
                3p
                   -1 :              -0.00008135760614
                   +0 :              -0.00024065941014
                   +1 :               0.00008876942225
                3d
                   -2 :               0.00000203656513
                   -1 :              -0.00001415121417
                   +0 :               0.00000694980684
                   +1 :               0.00001052703876
                   +2 :              -0.00000907412509
             11 vec=    -2.383842     10.360070    -12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00001588989390
                2s
                   +0 :              -0.00008468835192
                3s
                   +0 :               0.00003925363070
                2p
                   -1 :              -0.00012337466497
                   +0 :               0.00007162518002
                   +1 :              -0.00005711058521
                3p
                   -1 :               0.00006868664598
                   +0 :              -0.00001029125986
                   +1 :               0.00000155132196
                3d
                   -2 :              -0.00000008958275
                   -1 :              -0.00000061453965
                   +0 :              -0.00000580534154
                   +1 :              -0.00000122203129
                   +2 :               0.00000007831908
             12 vec=    -2.383842     10.360070     12.273771   |vec|=   16.237586
                1s
                   +0 :               0.00002286643068
                2s
                   +0 :              -0.00018027095407
                3s
                   +0 :               0.00006813085186
                2p
                   -1 :              -0.00016071697468
                   +0 :              -0.00010126453488
                   +1 :              -0.00011005536946
                3p
                   -1 :               0.00010004890738
                   +0 :               0.00004453466410
                   +1 :               0.00009953733684
                3d
                   -2 :               0.00000597601773
                   -1 :               0.00000661021720
                   +0 :              -0.00000077664036
                   +1 :               0.00000537362938
                   +2 :              -0.00000235938955
             13 vec=   -10.164004      5.868191    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000744351218
                2s
                   +0 :              -0.00011169488315
                3s
                   +0 :              -0.00000029714920
                2p
                   -1 :              -0.00006977777157
                   +0 :               0.00004026345403
                   +1 :               0.00008197600664
                3p
                   -1 :               0.00001458963568
                   +0 :               0.00001147222650
                   +1 :              -0.00000181874239
                3d
                   -2 :              -0.00000189513719
                   -1 :              -0.00000128677697
                   +0 :              -0.00000231466121
                   +1 :               0.00000178078002
                   +2 :               0.00000302412366
             14 vec=   -10.164004      5.868191     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002351326255
                2s
                   +0 :              -0.00023994374462
                3s
                   +0 :               0.00003988429232
                2p
                   -1 :              -0.00007232596510
                   +0 :              -0.00009673880001
                   +1 :               0.00014793366900
                3p
                   -1 :               0.00002919348414
                   +0 :              -0.00000683043828
                   +1 :              -0.00005047425320
                3d
                   -2 :              -0.00000075203986
                   -1 :               0.00000808503379
                   +0 :              -0.00000607978990
                   +1 :               0.00000729905454
                   +2 :              -0.00000054152379
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 15)  npairs=  18
              1 vec=     0.000000     -3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00011014588286
                2s
                   +0 :              -0.00085288751940
                3s
                   +0 :               0.00042983299144
                2p
                   -1 :              -0.00006105913293
                   +0 :               0.00068783565750
                   +1 :               0.00031596861594
                3p
                   -1 :               0.00009722031668
                   +0 :              -0.00057581809621
                   +1 :              -0.00018635500308
                3d
                   -2 :               0.00001421962445
                   -1 :              -0.00000150402345
                   +0 :               0.00005797110619
                   +1 :               0.00000440021026
                   +2 :               0.00001438904280
              2 vec=     0.000000     -3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00009414585267
                2s
                   +0 :               0.00074400473142
                3s
                   +0 :              -0.00035666195193
                2p
                   -1 :               0.00002596654378
                   +0 :               0.00049831567182
                   +1 :               0.00044038137918
                3p
                   -1 :              -0.00006668913828
                   +0 :              -0.00039895201066
                   +1 :              -0.00035718502853
                3d
                   -2 :              -0.00001112500494
                   -1 :               0.00000766554036
                   +0 :              -0.00003695814086
                   +1 :              -0.00002366649771
                   +2 :              -0.00000770517885
              3 vec=     0.000000      5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00004845949582
                2s
                   +0 :              -0.00019396868809
                3s
                   +0 :               0.00015325671858
                2p
                   -1 :              -0.00019355973650
                   +0 :               0.00011083418803
                   +1 :              -0.00049403251475
                3p
                   -1 :               0.00009545242378
                   +0 :              -0.00018156706979
                   +1 :              -0.00003589056165
                3d
                   -2 :              -0.00001994731376
                   -1 :              -0.00000756455798
                   +0 :               0.00001786572136
                   +1 :               0.00005412483897
                   +2 :              -0.00000950978294
              4 vec=     0.000000      5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00003993251535
                2s
                   +0 :               0.00013809287357
                3s
                   +0 :              -0.00013585234476
                2p
                   -1 :               0.00010942482131
                   +0 :               0.00007342908069
                   +1 :              -0.00037639542971
                3p
                   -1 :              -0.00005490725844
                   +0 :              -0.00011937250562
                   +1 :              -0.00010214640652
                3d
                   -2 :              -0.00001443285744
                   -1 :              -0.00000349367380
                   +0 :              -0.00001123204051
                   +1 :              -0.00005160545232
                   +2 :               0.00001678773875
              5 vec=    -7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003695523176
                2s
                   +0 :              -0.00068173591834
                3s
                   +0 :               0.00004191916611
                2p
                   -1 :              -0.00023215608030
                   +0 :               0.00037913097779
                   +1 :              -0.00003648613960
                3p
                   -1 :               0.00009024828520
                   +0 :               0.00011135923377
                   +1 :               0.00021727260319
                3d
                   -2 :               0.00003011949911
                   -1 :               0.00000715181640
                   +0 :              -0.00003172496810
                   +1 :              -0.00002505466231
                   +2 :              -0.00001679722034
              6 vec=    -7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003876387893
                2s
                   +0 :              -0.00039543239588
                3s
                   +0 :               0.00009313430897
                2p
                   -1 :              -0.00021569029233
                   +0 :              -0.00018822295259
                   +1 :              -0.00002234821640
                3p
                   -1 :               0.00006752819296
                   +0 :               0.00003365859899
                   +1 :               0.00006378619381
                3d
                   -2 :               0.00000851607970
                   -1 :              -0.00000908432527
                   +0 :               0.00000558882781
                   +1 :               0.00000277664495
                   +2 :               0.00000087275396
              7 vec=     7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004015650150
                2s
                   +0 :               0.00039112196034
                3s
                   +0 :              -0.00011791232700
                2p
                   -1 :               0.00033397758063
                   +0 :              -0.00032947998644
                   +1 :               0.00002102604017
                3p
                   -1 :              -0.00015846634453
                   +0 :               0.00014014460218
                   +1 :               0.00004910507699
                3d
                   -2 :               0.00001068238003
                   -1 :               0.00000220790342
                   +0 :              -0.00002030903449
                   +1 :              -0.00000338741472
                   +2 :              -0.00000056339556
              8 vec=     7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002176639726
                2s
                   +0 :               0.00058562761351
                3s
                   +0 :               0.00001273981829
                2p
                   -1 :               0.00016542523234
                   +0 :               0.00026120020047
                   +1 :              -0.00003463854607
                3p
                   -1 :              -0.00004436383043
                   +0 :               0.00010956586236
                   +1 :               0.00018111577937
                3d
                   -2 :               0.00001816759377
                   -1 :              -0.00000384011243
                   +0 :               0.00001536724023
                   +1 :               0.00001349505658
                   +2 :               0.00001668675186
              9 vec=    -7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003098178032
                2s
                   +0 :               0.00017142806131
                3s
                   +0 :              -0.00013336257502
                2p
                   -1 :              -0.00007338587424
                   +0 :              -0.00011033498047
                   +1 :              -0.00015874761627
                3p
                   -1 :               0.00013104889613
                   +0 :               0.00020280817255
                   +1 :               0.00015894412400
                3d
                   -2 :              -0.00000582785904
                   -1 :              -0.00000528779577
                   +0 :              -0.00001379558056
                   +1 :              -0.00001166082672
                   +2 :               0.00000290314557
             10 vec=    -7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000013127107
                2s
                   +0 :              -0.00004484051948
                3s
                   +0 :              -0.00000703785596
                2p
                   -1 :              -0.00014663149027
                   +0 :               0.00008289104750
                   +1 :               0.00003245547029
                3p
                   -1 :               0.00013967535963
                   +0 :              -0.00010866175741
                   +1 :              -0.00000678095832
                3d
                   -2 :              -0.00000112655193
                   -1 :               0.00000892451473
                   +0 :              -0.00000502042287
                   +1 :              -0.00001064944111
                   +2 :               0.00000564178611
             11 vec=     7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001280248890
                2s
                   +0 :              -0.00004900210237
                3s
                   +0 :               0.00004146357627
                2p
                   -1 :               0.00005907591063
                   +0 :               0.00002889583325
                   +1 :               0.00001212981310
                3p
                   -1 :              -0.00008154647412
                   +0 :              -0.00005448571111
                   +1 :               0.00000376977209
                3d
                   -2 :              -0.00000055955873
                   -1 :               0.00000561487383
                   +0 :               0.00000149471574
                   +1 :               0.00001033120724
                   +2 :              -0.00000399683101
             12 vec=     7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00003259702794
                2s
                   +0 :              -0.00014066041823
                3s
                   +0 :               0.00014115292105
                2p
                   -1 :               0.00018319067049
                   +0 :              -0.00014553161628
                   +1 :              -0.00016519775148
                3p
                   -1 :              -0.00019077110210
                   +0 :               0.00020252527732
                   +1 :               0.00017716983320
                3d
                   -2 :              -0.00000654116555
                   -1 :              -0.00001051612427
                   +0 :               0.00001121293219
                   +1 :               0.00001075708603
                   +2 :              -0.00000406259243
             13 vec=     0.000000    -12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000367228775
                2s
                   +0 :               0.00002651923128
                3s
                   +0 :              -0.00001378126823
                2p
                   -1 :              -0.00003116500850
                   +0 :              -0.00001519025221
                   +1 :              -0.00006203125162
                3p
                   -1 :               0.00001648491437
                   +0 :              -0.00000777107229
                   +1 :               0.00005474272572
                3d
                   -2 :              -0.00000040089395
                   -1 :              -0.00000190184600
                   +0 :               0.00000180920098
                   +1 :              -0.00000402612561
                   +2 :               0.00000019915170
             14 vec=     0.000000    -12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000130683485
                2s
                   +0 :              -0.00001662215092
                3s
                   +0 :               0.00000573799612
                2p
                   -1 :               0.00004596331467
                   +0 :              -0.00001802033692
                   +1 :              -0.00005086704214
                3p
                   -1 :              -0.00003811661555
                   +0 :               0.00000529282821
                   +1 :               0.00003716289634
                3d
                   -2 :              -0.00000201407624
                   -1 :              -0.00000102691492
                   +0 :              -0.00000058667251
                   +1 :               0.00000351205279
                   +2 :              -0.00000077906863
             15 vec=    -7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000874116330
                2s
                   +0 :               0.00002731632595
                3s
                   +0 :              -0.00003921103292
                2p
                   -1 :              -0.00005250407494
                   +0 :              -0.00004959691748
                   +1 :               0.00005771305191
                3p
                   -1 :               0.00002286694952
                   +0 :               0.00002624278989
                   +1 :              -0.00004366286171
                3d
                   -2 :              -0.00000536894150
                   -1 :              -0.00000087839625
                   +0 :              -0.00000462118803
                   +1 :               0.00000374084919
                   +2 :              -0.00000032437233
             16 vec=    -7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000236952504
                2s
                   +0 :               0.00002558679600
                3s
                   +0 :               0.00002239183894
                2p
                   -1 :              -0.00003923909153
                   +0 :               0.00010364508384
                   +1 :              -0.00002237874032
                3p
                   -1 :               0.00005514409507
                   +0 :              -0.00000410781945
                   +1 :              -0.00003088179064
                3d
                   -2 :              -0.00000107767833
                   -1 :               0.00001613545503
                   +0 :               0.00000632489050
                   +1 :              -0.00000410716898
                   +2 :              -0.00000900136825
             17 vec=     7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001036719274
                2s
                   +0 :              -0.00005489162304
                3s
                   +0 :               0.00004141878166
                2p
                   -1 :              -0.00004654498920
                   +0 :               0.00010362700653
                   +1 :              -0.00001909246933
                3p
                   -1 :               0.00005219149188
                   +0 :              -0.00006639882574
                   +1 :              -0.00000784300097
                3d
                   -2 :               0.00000546526964
                   -1 :              -0.00000456827416
                   +0 :               0.00000539932893
                   +1 :              -0.00000202208492
                   +2 :              -0.00000217370624
             18 vec=     7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001192048530
                2s
                   +0 :              -0.00007662305897
                3s
                   +0 :               0.00001812464877
                2p
                   -1 :               0.00005123345743
                   +0 :              -0.00006126577943
                   +1 :               0.00004749028231
                3p
                   -1 :              -0.00005438546198
                   +0 :              -0.00002176954906
                   +1 :              -0.00000850878724
                3d
                   -2 :               0.00000284971815
                   -1 :              -0.00001990686095
                   +0 :              -0.00000613758302
                   +1 :               0.00000190650992
                   +2 :               0.00000738094961
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 16)  npairs=  12
              1 vec=    -2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :               0.00336782819383
                2s
                   +0 :              -0.05969128019229
                3s
                   +0 :               0.00765556860711
                2p
                   -1 :              -0.02955596826682
                   +0 :              -0.00067624942397
                   +1 :               0.00978872852167
                3p
                   -1 :               0.00139465493552
                   +0 :               0.00191402940699
                   +1 :              -0.00256798365877
                3d
                   -2 :               0.00076963698486
                   -1 :              -0.00016356670087
                   +0 :               0.00182636419988
                   +1 :              -0.00042295685600
                   +2 :               0.00237854454811
              2 vec=    -2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00077470988045
                2s
                   +0 :              -0.01719064104148
                3s
                   +0 :              -0.00562862101509
                2p
                   -1 :               0.01210110518563
                   +0 :              -0.00569262507912
                   +1 :               0.00067376464531
                3p
                   -1 :               0.00898543539252
                   +0 :               0.00590132054746
                   +1 :               0.00259022971698
                3d
                   -2 :              -0.00142235104911
                   -1 :              -0.00042587151951
                   +0 :               0.00113371003160
                   +1 :              -0.00038652456633
                   +2 :               0.00193939511435
              3 vec=     5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :              -0.00197845252592
                2s
                   +0 :               0.05498260027899
                3s
                   +0 :              -0.00082029371373
                2p
                   -1 :              -0.00294158996924
                   +0 :              -0.00262818842448
                   +1 :               0.03924843722882
                3p
                   -1 :               0.00269772797038
                   +0 :               0.00324125225283
                   +1 :               0.00247800982081
                3d
                   -2 :              -0.00004694696596
                   -1 :               0.00115530210448
                   +0 :              -0.00165958287606
                   +1 :               0.00059065171369
                   +2 :               0.00313079963681
              4 vec=   -10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00097455240524
                2s
                   +0 :              -0.00857033050265
                3s
                   +0 :               0.00206278289794
                2p
                   -1 :              -0.00256455972659
                   +0 :               0.00019062590999
                   +1 :               0.00851693982604
                3p
                   -1 :               0.00201985928402
                   +0 :              -0.00002909036598
                   +1 :              -0.00144274763392
                3d
                   -2 :              -0.00017330361226
                   -1 :              -0.00011264900099
                   +0 :               0.00033343518113
                   +1 :              -0.00016235750721
                   +2 :              -0.00038488394185
              5 vec=     5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00023140125644
                2s
                   +0 :               0.00304489652597
                3s
                   +0 :              -0.00019693314401
                2p
                   -1 :               0.00345623454428
                   +0 :               0.00042857453272
                   +1 :               0.00272283019172
                3p
                   -1 :              -0.00062035587152
                   +0 :              -0.00020159283236
                   +1 :              -0.00062045396585
                3d
                   -2 :               0.00012848561881
                   -1 :               0.00003937212500
                   +0 :               0.00000326035324
                   +1 :              -0.00001065712036
                   +2 :              -0.00005300620211
              6 vec=     5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :              -0.00068390651830
                2s
                   +0 :               0.00507786934231
                3s
                   +0 :              -0.00189907306069
                2p
                   -1 :              -0.00436433917247
                   +0 :               0.00126508776456
                   +1 :               0.00145722633025
                3p
                   -1 :               0.00187179529707
                   +0 :              -0.00120610729418
                   +1 :              -0.00053098076188
                3d
                   -2 :               0.00003480552731
                   -1 :               0.00004524079211
                   +0 :               0.00000722624618
                   +1 :              -0.00006190823954
                   +2 :               0.00002592757700
              7 vec=   -10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00001038557653
                2s
                   +0 :              -0.00034506622528
                3s
                   +0 :              -0.00012687269079
                2p
                   -1 :               0.00007219601895
                   +0 :               0.00008425694469
                   +1 :               0.00012309185238
                3p
                   -1 :              -0.00004290368632
                   +0 :              -0.00007687581427
                   +1 :               0.00015693332877
                3d
                   -2 :              -0.00001477267418
                   -1 :              -0.00000059840769
                   +0 :               0.00000129772724
                   +1 :               0.00000115242791
                   +2 :              -0.00001869676818
              8 vec=    -2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :              -0.00002609226928
                2s
                   +0 :               0.00032631512310
                3s
                   +0 :              -0.00005394380367
                2p
                   -1 :               0.00030353637515
                   +0 :               0.00004959193376
                   +1 :              -0.00017226684526
                3p
                   -1 :              -0.00001251666625
                   +0 :              -0.00004688022659
                   +1 :              -0.00009474193877
                3d
                   -2 :              -0.00002413259777
                   -1 :               0.00000209502092
                   +0 :               0.00000328405340
                   +1 :              -0.00000403163214
                   +2 :              -0.00004013024917
              9 vec=   -10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00005432001133
                2s
                   +0 :              -0.00075301878297
                3s
                   +0 :               0.00013948335251
                2p
                   -1 :               0.00000989762137
                   +0 :               0.00000761975776
                   +1 :               0.00057760010182
                3p
                   -1 :               0.00021456610889
                   +0 :               0.00000768065502
                   +1 :              -0.00023467053231
                3d
                   -2 :              -0.00002445940771
                   -1 :               0.00000100318966
                   +0 :               0.00002474649588
                   +1 :              -0.00001499177646
                   +2 :               0.00003054622798
             10 vec=    13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00000163436537
                2s
                   +0 :               0.00035538183437
                3s
                   +0 :               0.00007950693755
                2p
                   -1 :               0.00010667066268
                   +0 :               0.00013205675072
                   +1 :               0.00023208072014
                3p
                   -1 :               0.00023374563361
                   +0 :              -0.00011049784172
                   +1 :              -0.00000784485606
                3d
                   -2 :               0.00004072587291
                   -1 :               0.00000794551372
                   +0 :              -0.00003643817442
                   +1 :               0.00000430761105
                   +2 :              -0.00004657304078
             11 vec=    -2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00005141754573
                2s
                   +0 :               0.00041335122563
                3s
                   +0 :              -0.00012080501165
                2p
                   -1 :              -0.00035455473875
                   +0 :               0.00010620507401
                   +1 :              -0.00006154437150
                3p
                   -1 :               0.00006733924085
                   +0 :              -0.00010801216854
                   +1 :              -0.00008562174968
                3d
                   -2 :               0.00002050212924
                   -1 :               0.00000970333703
                   +0 :              -0.00000006778774
                   +1 :               0.00000416456168
                   +2 :              -0.00001850946846
             12 vec=    13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :              -0.00009076023575
                2s
                   +0 :               0.00096525594694
                3s
                   +0 :              -0.00020276871148
                2p
                   -1 :              -0.00077330481204
                   +0 :              -0.00023654708117
                   +1 :               0.00029956774136
                3p
                   -1 :               0.00030489850614
                   +0 :               0.00019797327489
                   +1 :              -0.00016877111126
                3d
                   -2 :               0.00002185053957
                   -1 :               0.00000508218775
                   +0 :               0.00001694262658
                   +1 :               0.00000660927969
                   +2 :              -0.00002434710833
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 17)  npairs=  12
              1 vec=     2.383842      4.128935      0.000000   |vec|=    4.767684
                1s
                   +0 :              -0.00337396673263
                2s
                   +0 :               0.05974938647736
                3s
                   +0 :              -0.00767394035446
                2p
                   -1 :               0.02959409852736
                   +0 :              -0.00054618487603
                   +1 :               0.00980020976630
                3p
                   -1 :              -0.00142544802688
                   +0 :               0.00187438170046
                   +1 :              -0.00257422854970
                3d
                   -2 :               0.00077014251601
                   -1 :              -0.00016409464657
                   +0 :              -0.00182627186376
                   +1 :               0.00042103507506
                   +2 :              -0.00237908297342
              2 vec=    -5.396321     -0.362944      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00197696418353
                2s
                   +0 :              -0.05498977667992
                3s
                   +0 :               0.00081849263036
                2p
                   -1 :               0.00295532980590
                   +0 :              -0.00272013475351
                   +1 :               0.03924687166425
                3p
                   -1 :              -0.00271396973994
                   +0 :               0.00324305395157
                   +1 :               0.00248862686113
                3d
                   -2 :              -0.00004613472131
                   -1 :               0.00115692142091
                   +0 :               0.00166213991964
                   +1 :              -0.00059162860097
                   +2 :              -0.00312959527946
              3 vec=     2.383842     -4.854823      0.000000   |vec|=    5.408512
                1s
                   +0 :               0.00076890767211
                2s
                   +0 :               0.01721951000701
                3s
                   +0 :               0.00561351953308
                2p
                   -1 :              -0.01213762565525
                   +0 :              -0.00568244598910
                   +1 :               0.00067729446425
                3p
                   -1 :              -0.00894919215069
                   +0 :               0.00591391895459
                   +1 :               0.00258640944199
                3d
                   -2 :              -0.00142369275299
                   -1 :              -0.00042362305274
                   +0 :              -0.00113211358789
                   +1 :               0.00038613894700
                   +2 :              -0.00193883335635
              4 vec=    -5.396321      8.620814      0.000000   |vec|=   10.170483
                1s
                   +0 :               0.00023157977403
                2s
                   +0 :              -0.00304866923473
                3s
                   +0 :               0.00019626052153
                2p
                   -1 :              -0.00346699403970
                   +0 :               0.00040484212372
                   +1 :               0.00271973474645
                3p
                   -1 :               0.00062961409824
                   +0 :              -0.00020256737841
                   +1 :              -0.00061747569521
                3d
                   -2 :               0.00012823033068
                   -1 :               0.00003790912035
                   +0 :              -0.00000409257421
                   +1 :               0.00000950803554
                   +2 :               0.00005324520471
              5 vec=    10.164004     -0.362944      0.000000   |vec|=   10.170483
                1s
                   +0 :              -0.00097116191797
                2s
                   +0 :               0.00854534870723
                3s
                   +0 :              -0.00205325277287
                2p
                   -1 :               0.00255970991447
                   +0 :               0.00021522634345
                   +1 :               0.00850799105313
                3p
                   -1 :              -0.00201753840972
                   +0 :              -0.00002803082277
                   +1 :              -0.00143862520758
                3d
                   -2 :              -0.00017309698013
                   -1 :              -0.00011362709916
                   +0 :              -0.00033276855404
                   +1 :               0.00016292049550
                   +2 :               0.00038405590339
              6 vec=    -5.396321     -9.346702      0.000000   |vec|=   10.792642
                1s
                   +0 :               0.00068826500587
                2s
                   +0 :              -0.00510777320457
                3s
                   +0 :               0.00191471087802
                2p
                   -1 :               0.00437321539384
                   +0 :               0.00128633816816
                   +1 :               0.00145668741735
                3p
                   -1 :              -0.00188005304499
                   +0 :              -0.00122118947734
                   +1 :              -0.00053199480092
                3d
                   -2 :               0.00003514147126
                   -1 :               0.00004464428583
                   +0 :              -0.00000653903702
                   +1 :               0.00006235010627
                   +2 :              -0.00002518645742
              7 vec=     2.383842     13.112693      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00002709189812
                2s
                   +0 :              -0.00033379577700
                3s
                   +0 :               0.00005603239627
                2p
                   -1 :              -0.00029969972980
                   +0 :               0.00004796475391
                   +1 :              -0.00017261606823
                3p
                   -1 :               0.00000894400124
                   +0 :              -0.00004622729693
                   +1 :              -0.00009338339420
                3d
                   -2 :              -0.00002402466758
                   -1 :               0.00000196462751
                   +0 :              -0.00000303500544
                   +1 :               0.00000389112423
                   +2 :               0.00004026856408
              8 vec=    10.164004      8.620814      0.000000   |vec|=   13.327619
                1s
                   +0 :               0.00001159238345
                2s
                   +0 :               0.00033787907918
                3s
                   +0 :               0.00013199079306
                2p
                   -1 :              -0.00007310214878
                   +0 :               0.00008779991308
                   +1 :               0.00012024009847
                3p
                   -1 :               0.00004513182877
                   +0 :              -0.00007300034951
                   +1 :               0.00015996631165
                3d
                   -2 :              -0.00001513186626
                   -1 :              -0.00000010743253
                   +0 :              -0.00000075042060
                   +1 :              -0.00000047791371
                   +2 :               0.00001837088803
              9 vec=   -13.176483      4.128935      0.000000   |vec|=   13.808252
                1s
                   +0 :               0.00000123157859
                2s
                   +0 :              -0.00034943926759
                3s
                   +0 :              -0.00007913553691
                2p
                   -1 :              -0.00010511767522
                   +0 :               0.00014192241666
                   +1 :               0.00023551456622
                3p
                   -1 :              -0.00023397053666
                   +0 :              -0.00011540538883
                   +1 :              -0.00001165830931
                3d
                   -2 :               0.00004082089619
                   -1 :               0.00000913417035
                   +0 :               0.00003701598440
                   +1 :              -0.00000391721364
                   +2 :               0.00004615838301
             10 vec=    10.164004     -9.346702      0.000000   |vec|=   13.808252
                1s
                   +0 :              -0.00005440461448
                2s
                   +0 :               0.00075471873464
                3s
                   +0 :              -0.00013735753227
                2p
                   -1 :              -0.00001269467665
                   +0 :               0.00000082055330
                   +1 :               0.00056442709100
                3p
                   -1 :              -0.00021265642221
                   +0 :               0.00000944525889
                   +1 :              -0.00022267862835
                3d
                   -2 :              -0.00002503199320
                   -1 :               0.00000090476362
                   +0 :              -0.00002392735677
                   +1 :               0.00001516158630
                   +2 :              -0.00003014159404
             11 vec=   -13.176483     -4.854823      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00008994007114
                2s
                   +0 :              -0.00095924548336
                3s
                   +0 :               0.00019825771188
                2p
                   -1 :               0.00078608548114
                   +0 :              -0.00021845222267
                   +1 :               0.00030647539673
                3p
                   -1 :              -0.00031447996137
                   +0 :               0.00018621459630
                   +1 :              -0.00017587711371
                3d
                   -2 :               0.00002201226312
                   -1 :               0.00000493592022
                   +0 :              -0.00001767708352
                   +1 :              -0.00000656847645
                   +2 :               0.00002439371940
             12 vec=     2.383842    -13.838581      0.000000   |vec|=   14.042401
                1s
                   +0 :               0.00004856477749
                2s
                   +0 :              -0.00039388207137
                3s
                   +0 :               0.00011303962679
                2p
                   -1 :               0.00035816756336
                   +0 :               0.00010243337011
                   +1 :              -0.00004536829677
                3p
                   -1 :              -0.00007124517009
                   +0 :              -0.00010595639806
                   +1 :              -0.00009712882245
                3d
                   -2 :               0.00002009600471
                   -1 :               0.00000973422881
                   +0 :               0.00000050370133
                   +1 :              -0.00000468690934
                   +2 :               0.00001780783909
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 18)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00000872906574
                2s
                   +0 :              -0.00013770765922
                3s
                   +0 :               0.00004036808365
                2p
                   -1 :              -0.00005825140328
                   +0 :              -0.02983437206812
                   +1 :               0.88306055667378
                3p
                   -1 :               0.00003742706963
                   +0 :               0.01094971559353
                   +1 :              -0.04522962258592
                3d
                   -2 :              -0.00251090319069
                   -1 :              -0.00318009409277
                   +0 :               0.00000312461852
                   +1 :              -0.00004377959463
                   +2 :               0.00000289688581
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00019952831414
                2s
                   +0 :              -0.00102112670886
                3s
                   +0 :               0.00036284048650
                2p
                   -1 :               0.00387221099018
                   +0 :              -0.00000907396060
                   +1 :              -0.00069566244069
                3p
                   -1 :              -0.00126500844711
                   +0 :              -0.00004039347947
                   +1 :               0.00053670208992
                3d
                   -2 :              -0.00018303566113
                   -1 :               0.00009773175679
                   +0 :              -0.00014789246012
                   +1 :              -0.00007755943617
                   +2 :               0.00001429344530
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00036494666934
                2s
                   +0 :              -0.00190583507622
                3s
                   +0 :               0.00095594005875
                2p
                   -1 :              -0.00217596303422
                   +0 :              -0.00098942326419
                   +1 :              -0.00003762285595
                3p
                   -1 :               0.00141034879954
                   +0 :               0.00098861341495
                   +1 :               0.00015445021368
                3d
                   -2 :              -0.00020009353873
                   -1 :              -0.00002314098138
                   +0 :               0.00008101192750
                   +1 :              -0.00001790895354
                   +2 :               0.00001124379507
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000041962625
                2s
                   +0 :               0.00000216305694
                3s
                   +0 :              -0.00000155237280
                2p
                   -1 :              -0.00000262419604
                   +0 :               0.00005726380820
                   +1 :              -0.00214593389737
                3p
                   -1 :               0.00000379408914
                   +0 :              -0.00012498396800
                   +1 :              -0.00107516762639
                3d
                   -2 :               0.00050130859109
                   -1 :              -0.00019877012778
                   +0 :               0.00000022293926
                   +1 :               0.00000023725602
                   +2 :               0.00000029737800
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000095321091
                2s
                   +0 :               0.00000819084818
                3s
                   +0 :              -0.00000253615547
                2p
                   -1 :              -0.00000044549248
                   +0 :               0.00051160405184
                   +1 :              -0.00446515556482
                3p
                   -1 :               0.00000152986226
                   +0 :              -0.00048095719257
                   +1 :               0.00090273722248
                3d
                   -2 :              -0.00014450220934
                   -1 :              -0.00006699516622
                   +0 :              -0.00000049410362
                   +1 :               0.00000025627729
                   +2 :              -0.00000007307742
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00019992195333
                2s
                   +0 :               0.00102490522240
                3s
                   +0 :              -0.00036382169500
                2p
                   -1 :              -0.00386378510895
                   +0 :               0.00001638846507
                   +1 :              -0.00069281264760
                3p
                   -1 :               0.00126058133842
                   +0 :              -0.00005459588578
                   +1 :               0.00053255447460
                3d
                   -2 :              -0.00018362889410
                   -1 :               0.00009809635625
                   +0 :               0.00014597709142
                   +1 :               0.00007689046316
                   +2 :              -0.00001432192277
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00036365039452
                2s
                   +0 :               0.00190085753410
                3s
                   +0 :              -0.00095214536207
                2p
                   -1 :               0.00216885315521
                   +0 :              -0.00098018752525
                   +1 :              -0.00005020043481
                3p
                   -1 :              -0.00140271101755
                   +0 :               0.00099526358742
                   +1 :               0.00016667041293
                3d
                   -2 :              -0.00019984954602
                   -1 :              -0.00002362824846
                   +0 :              -0.00008151036142
                   +1 :               0.00001820522077
                   +2 :              -0.00001181726009
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00008075395549
                2s
                   +0 :              -0.00109435730397
                3s
                   +0 :               0.00011001303699
                2p
                   -1 :              -0.00031685094436
                   +0 :              -0.00014162723331
                   +1 :               0.00121060385507
                3p
                   -1 :               0.00012800257836
                   +0 :               0.00008673841449
                   +1 :              -0.00015605870743
                3d
                   -2 :               0.00000225434686
                   -1 :              -0.00000075262744
                   +0 :               0.00001973581269
                   +1 :              -0.00000583671183
                   +2 :              -0.00005216779621
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000886620185
                2s
                   +0 :              -0.00026290423831
                3s
                   +0 :              -0.00007820302781
                2p
                   -1 :               0.00066955064042
                   +0 :               0.00026910948139
                   +1 :               0.00022626837377
                3p
                   -1 :              -0.00023269258559
                   +0 :              -0.00025547793762
                   +1 :              -0.00005806938643
                3d
                   -2 :              -0.00001214136531
                   -1 :               0.00002084813799
                   +0 :              -0.00001859707279
                   +1 :               0.00002566340429
                   +2 :              -0.00002291627620
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003813696826
                2s
                   +0 :              -0.00052198854071
                3s
                   +0 :               0.00002512556797
                2p
                   -1 :              -0.00046189765157
                   +0 :              -0.00004380409352
                   +1 :               0.00011652784915
                3p
                   -1 :              -0.00000105970014
                   +0 :               0.00003623117782
                   +1 :               0.00007463500437
                3d
                   -2 :               0.00003056155632
                   -1 :              -0.00000102785113
                   +0 :               0.00002347292726
                   +1 :               0.00001331426347
                   +2 :               0.00002252126747
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000881556457
                2s
                   +0 :               0.00026506521469
                3s
                   +0 :               0.00007832576862
                2p
                   -1 :              -0.00067360058864
                   +0 :               0.00026357024921
                   +1 :               0.00022626335518
                3p
                   -1 :               0.00023589549167
                   +0 :              -0.00024997352531
                   +1 :              -0.00005718851330
                3d
                   -2 :              -0.00001201930939
                   -1 :               0.00002069454737
                   +0 :               0.00001816525202
                   +1 :              -0.00002493234257
                   +2 :               0.00002269525223
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003806980675
                2s
                   +0 :               0.00052149343422
                3s
                   +0 :              -0.00002607347610
                2p
                   -1 :               0.00046126667881
                   +0 :              -0.00003405738997
                   +1 :               0.00011814277476
                3p
                   -1 :               0.00000148651435
                   +0 :               0.00002923707091
                   +1 :               0.00007215492045
                3d
                   -2 :               0.00003039923529
                   -1 :              -0.00000112880492
                   +0 :              -0.00002360195053
                   +1 :              -0.00001330354686
                   +2 :              -0.00002241530245
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008066019980
                2s
                   +0 :               0.00109433053593
                3s
                   +0 :              -0.00010851579258
                2p
                   -1 :               0.00031751586839
                   +0 :              -0.00013140515023
                   +1 :               0.00121590823160
                3p
                   -1 :              -0.00013056431845
                   +0 :               0.00008404454354
                   +1 :              -0.00016039081010
                3d
                   -2 :               0.00000192883026
                   -1 :              -0.00000024479858
                   +0 :              -0.00001899552862
                   +1 :               0.00000565542472
                   +2 :               0.00005194245578
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000564171998
                2s
                   +0 :              -0.00010599108281
                3s
                   +0 :               0.00000014463642
                2p
                   -1 :               0.00007922357117
                   +0 :              -0.00006450393342
                   +1 :               0.00007465541783
                3p
                   -1 :              -0.00000395621306
                   +0 :               0.00004702844486
                   +1 :               0.00002026069113
                3d
                   -2 :              -0.00000069063833
                   -1 :              -0.00000507115494
                   +0 :               0.00000363479934
                   +1 :              -0.00000237142529
                   +2 :              -0.00000031197428
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002514685998
                2s
                   +0 :              -0.00024290823032
                3s
                   +0 :               0.00005936010715
                2p
                   -1 :              -0.00018895120436
                   +0 :               0.00004451409181
                   +1 :               0.00014181498109
                3p
                   -1 :               0.00008109905240
                   +0 :              -0.00004209298976
                   +1 :              -0.00003098077952
                3d
                   -2 :              -0.00000032310803
                   -1 :              -0.00000068383306
                   +0 :               0.00000320354038
                   +1 :               0.00000624581882
                   +2 :              -0.00000104141625
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000022001188
                2s
                   +0 :               0.00000112283012
                3s
                   +0 :              -0.00000013662182
                2p
                   -1 :              -0.00000122102280
                   +0 :               0.00001736522805
                   +1 :               0.00004344593943
                3p
                   -1 :               0.00000085830644
                   +0 :              -0.00001083976925
                   +1 :              -0.00001218952069
                3d
                   -2 :              -0.00000274266739
                   -1 :               0.00000456022453
                   +0 :               0.00000024478892
                   +1 :               0.00000005356327
                   +2 :               0.00000010787288
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000033239745
                2s
                   +0 :              -0.00000245589499
                3s
                   +0 :               0.00000097440942
                2p
                   -1 :              -0.00000025275376
                   +0 :              -0.00000618940486
                   +1 :               0.00001277377077
                3p
                   -1 :               0.00000009759075
                   +0 :              -0.00000080758715
                   +1 :               0.00002025943950
                3d
                   -2 :               0.00000747485770
                   -1 :               0.00000050070020
                   +0 :               0.00000002962889
                   +1 :               0.00000012219150
                   +2 :              -0.00000010627758
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000679081500
                2s
                   +0 :               0.00011321765713
                3s
                   +0 :              -0.00000428909733
                2p
                   -1 :              -0.00008225558348
                   +0 :              -0.00006550187453
                   +1 :               0.00008054927443
                3p
                   -1 :               0.00000682412125
                   +0 :               0.00004739112154
                   +1 :               0.00001527274150
                3d
                   -2 :              -0.00000036692244
                   -1 :              -0.00000535225346
                   +0 :              -0.00000356434022
                   +1 :               0.00000230194558
                   +2 :               0.00000027513263
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002577079956
                2s
                   +0 :               0.00024483551585
                3s
                   +0 :              -0.00006111024801
                2p
                   -1 :               0.00019227244762
                   +0 :               0.00003773260757
                   +1 :               0.00014592388094
                3p
                   -1 :              -0.00008305260033
                   +0 :              -0.00003971496150
                   +1 :              -0.00003464330368
                3d
                   -2 :              -0.00000017248886
                   -1 :              -0.00000066178204
                   +0 :              -0.00000322719718
                   +1 :              -0.00000642827803
                   +2 :               0.00000099573499
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 19)  npairs=  14
              1 vec=    -0.209286     -3.115717     -4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00159049075260
                2s
                   +0 :               0.00620116510453
                3s
                   +0 :              -0.00488865974230
                2p
                   -1 :              -0.00832892083821
                   +0 :               0.00068738849577
                   +1 :              -0.00436698744720
                3p
                   -1 :               0.00751865065784
                   +0 :               0.00153794311035
                   +1 :              -0.00369485820924
                3d
                   -2 :               0.00087575841593
                   -1 :              -0.00071283011101
                   +0 :              -0.00047217829886
                   +1 :               0.00166280539003
                   +2 :               0.00024525346186
              2 vec=    -0.209286      5.868041     -4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00054288160208
                2s
                   +0 :               0.00411765999009
                3s
                   +0 :              -0.00175203060308
                2p
                   -1 :               0.00218192115338
                   +0 :              -0.00104650553863
                   +1 :               0.00553851875757
                3p
                   -1 :              -0.00111770575709
                   +0 :               0.00080486210391
                   +1 :              -0.00567003441285
                3d
                   -2 :              -0.00011162035989
                   -1 :              -0.00000823339910
                   +0 :               0.00000808664015
                   +1 :              -0.00002951728170
                   +2 :               0.00012592744443
              3 vec=     7.570876      1.376162     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00008696825381
                2s
                   +0 :              -0.00113886123899
                3s
                   +0 :               0.00059370000762
                2p
                   -1 :              -0.00055467093353
                   +0 :               0.00013328372093
                   +1 :               0.00219616554670
                3p
                   -1 :               0.00065677585596
                   +0 :              -0.00017659668528
                   +1 :              -0.00121708983857
                3d
                   -2 :               0.00003844258642
                   -1 :               0.00002479707647
                   +0 :               0.00000630370759
                   +1 :              -0.00003516410418
                   +2 :              -0.00013640827965
              4 vec=    -7.989449      1.376162     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00023254373031
                2s
                   +0 :              -0.00112072145719
                3s
                   +0 :               0.00041554975970
                2p
                   -1 :              -0.00147455929002
                   +0 :               0.00361203789162
                   +1 :              -0.00047690701415
                3p
                   -1 :               0.00062805572344
                   +0 :              -0.00216351739157
                   +1 :               0.00061750563749
                3d
                   -2 :              -0.00003471985829
                   -1 :              -0.00006994132052
                   +0 :              -0.00001524232665
                   +1 :               0.00002533707675
                   +2 :               0.00001969368250
              5 vec=     7.570876     -7.607596     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00000695590256
                2s
                   +0 :               0.00038173662926
                3s
                   +0 :              -0.00005964702815
                2p
                   -1 :              -0.00063132738732
                   +0 :               0.00002627442982
                   +1 :               0.00053691517995
                3p
                   -1 :               0.00026131382759
                   +0 :              -0.00017161919756
                   +1 :              -0.00046686157103
                3d
                   -2 :               0.00002005595003
                   -1 :               0.00010907115281
                   +0 :               0.00005927256034
                   +1 :              -0.00000386761875
                   +2 :              -0.00005165260598
              6 vec=    -7.989449     -7.607596     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00001366482355
                2s
                   +0 :              -0.00030478576428
                3s
                   +0 :               0.00006023025745
                2p
                   -1 :              -0.00065627789278
                   +0 :               0.00101723171343
                   +1 :               0.00010893007238
                3p
                   -1 :               0.00064654042325
                   +0 :              -0.00076319876051
                   +1 :              -0.00018027268588
                3d
                   -2 :              -0.00005643829876
                   -1 :               0.00004547131501
                   +0 :              -0.00010091806638
                   +1 :               0.00004573217175
                   +2 :               0.00003460260307
              7 vec=    -0.209286    -12.099475     -4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00000726021964
                2s
                   +0 :              -0.00000698022429
                3s
                   +0 :               0.00005904176118
                2p
                   -1 :              -0.00008340635295
                   +0 :              -0.00055903718717
                   +1 :               0.00031535627647
                3p
                   -1 :               0.00002702413879
                   +0 :               0.00039300460132
                   +1 :              -0.00016696861568
                3d
                   -2 :              -0.00001205138136
                   -1 :              -0.00000786383463
                   +0 :              -0.00001206657536
                   +1 :              -0.00001885204185
                   +2 :              -0.00003701107006
              8 vec=     7.570876     10.359920     -4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00006814470304
                2s
                   +0 :               0.00078605720299
                3s
                   +0 :              -0.00010552476575
                2p
                   -1 :               0.00022951370288
                   +0 :              -0.00042660982888
                   +1 :               0.00017945264312
                3p
                   -1 :              -0.00006998693777
                   +0 :               0.00010658704050
                   +1 :              -0.00002322633196
                3d
                   -2 :               0.00003827589030
                   -1 :              -0.00000195144292
                   +0 :               0.00003601225817
                   +1 :               0.00001892226542
                   +2 :               0.00000805886127
              9 vec=    -7.989449     10.359920     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00003353457421
                2s
                   +0 :              -0.00007878501516
                3s
                   +0 :              -0.00016219377709
                2p
                   -1 :               0.00026577977308
                   +0 :               0.00004489700008
                   +1 :              -0.00017214989428
                3p
                   -1 :              -0.00032845179540
                   +0 :               0.00012667330542
                   +1 :               0.00024653787128
                3d
                   -2 :               0.00002587010328
                   -1 :               0.00000103368093
                   +0 :              -0.00001225519300
                   +1 :              -0.00000977297954
                   +2 :               0.00000899857971
             10 vec=    -0.209286     14.851799     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00000268632330
                2s
                   +0 :              -0.00000601282694
                3s
                   +0 :              -0.00000675782192
                2p
                   -1 :              -0.00011318676677
                   +0 :               0.00004080431642
                   +1 :              -0.00004020386731
                3p
                   -1 :               0.00008291247853
                   +0 :              -0.00004695755329
                   +1 :              -0.00001541423891
                3d
                   -2 :              -0.00000154178861
                   -1 :              -0.00000209467435
                   +0 :              -0.00000812898702
                   +1 :              -0.00000887683005
                   +2 :              -0.00000946828939
             11 vec=    15.351039     -3.115717     -4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000533244240
                2s
                   +0 :               0.00005923046762
                3s
                   +0 :               0.00001844447846
                2p
                   -1 :              -0.00003616999822
                   +0 :              -0.00007800995601
                   +1 :               0.00010699413789
                3p
                   -1 :              -0.00000857040882
                   +0 :               0.00001904046753
                   +1 :               0.00000796902079
                3d
                   -2 :               0.00000263580856
                   -1 :               0.00000421273073
                   +0 :              -0.00001487235947
                   +1 :               0.00000859435627
                   +2 :              -0.00000033947622
             12 vec=   -15.769612     -3.115717     -4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00004312560224
                2s
                   +0 :              -0.00029486561564
                3s
                   +0 :               0.00009045588077
                2p
                   -1 :               0.00007962558234
                   +0 :              -0.00015642027992
                   +1 :               0.00016314071640
                3p
                   -1 :              -0.00003285697852
                   +0 :               0.00021267688527
                   +1 :              -0.00001028494137
                3d
                   -2 :              -0.00000675417486
                   -1 :              -0.00001212953215
                   +0 :               0.00000580762345
                   +1 :              -0.00001190039828
                   +2 :               0.00000224223855
             13 vec=    15.351039      5.868041     -4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00002805756872
                2s
                   +0 :               0.00019645247761
                3s
                   +0 :              -0.00006681186629
                2p
                   -1 :              -0.00002386425778
                   +0 :              -0.00004869899477
                   +1 :               0.00015573227069
                3p
                   -1 :               0.00004491105924
                   +0 :               0.00001221162467
                   +1 :              -0.00008605337172
                3d
                   -2 :               0.00000871980247
                   -1 :              -0.00000096121463
                   +0 :               0.00000851331964
                   +1 :               0.00000313018347
                   +2 :               0.00000328155244
             14 vec=   -15.769612      5.868041     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00002393920641
                2s
                   +0 :              -0.00016391099081
                3s
                   +0 :               0.00005562915902
                2p
                   -1 :               0.00008879441698
                   +0 :              -0.00000452203346
                   +1 :              -0.00000227493447
                3p
                   -1 :              -0.00008751934582
                   +0 :               0.00003430543085
                   +1 :               0.00006684840740
                3d
                   -2 :              -0.00000140303363
                   -1 :               0.00000072325304
                   +0 :              -0.00000434538306
                   +1 :              -0.00000130044491
                   +2 :              -0.00001136708985
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 20)  npairs=  14
              1 vec=     2.802674      1.376162     -4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00277256343896
                2s
                   +0 :               0.04500281025215
                3s
                   +0 :              -0.00504090237371
                2p
                   -1 :               0.00857430746459
                   +0 :              -0.02034298584210
                   +1 :               0.00892026407760
                3p
                   -1 :               0.00037775494514
                   +0 :              -0.00187356595470
                   +1 :               0.00118960169637
                3d
                   -2 :               0.00060279657121
                   -1 :              -0.00206275701466
                   +0 :               0.00164469193334
                   +1 :              -0.00099094406815
                   +2 :              -0.00010935326145
              2 vec=    -4.977489     -3.115717     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00114890399175
                2s
                   +0 :              -0.00919843012546
                3s
                   +0 :               0.00495158186828
                2p
                   -1 :               0.00473956589671
                   +0 :               0.01090431735741
                   +1 :               0.01003619078533
                3p
                   -1 :              -0.00393239451512
                   +0 :              -0.00752526510883
                   +1 :              -0.00758810287581
                3d
                   -2 :               0.00035891213009
                   -1 :               0.00050755106287
                   +0 :               0.00045976284624
                   +1 :               0.00106361342131
                   +2 :               0.00020251716731
              3 vec=    -4.977489      5.868041     -4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00007080230678
                2s
                   +0 :               0.00050038935724
                3s
                   +0 :              -0.00042029156188
                2p
                   -1 :              -0.00209163940121
                   +0 :               0.00183334813674
                   +1 :               0.00015322483849
                3p
                   -1 :               0.00172913158749
                   +0 :              -0.00056683513421
                   +1 :               0.00036392401722
                3d
                   -2 :              -0.00019777209377
                   -1 :              -0.00009439680867
                   +0 :              -0.00003555237858
                   +1 :               0.00005509826548
                   +2 :              -0.00006441834471
              4 vec=     2.802674     -7.607596     -4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00034668690115
                2s
                   +0 :               0.00203952853392
                3s
                   +0 :              -0.00085024287463
                2p
                   -1 :               0.00069118213875
                   +0 :              -0.00169440726608
                   +1 :              -0.00062678574252
                3p
                   -1 :              -0.00060453489061
                   +0 :               0.00018915688152
                   +1 :               0.00012443714538
                3d
                   -2 :              -0.00008591536035
                   -1 :               0.00026373115629
                   +0 :              -0.00001352010856
                   +1 :              -0.00003005743127
                   +2 :              -0.00013605581479
              5 vec=     2.802674     10.359920     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00005082017449
                2s
                   +0 :               0.00035440018417
                3s
                   +0 :               0.00006095360402
                2p
                   -1 :               0.00034853854379
                   +0 :               0.00039927385914
                   +1 :              -0.00061402186606
                3p
                   -1 :               0.00021827557670
                   +0 :              -0.00053566721348
                   +1 :               0.00050421215943
                3d
                   -2 :               0.00003640559517
                   -1 :              -0.00006802336575
                   +0 :              -0.00007795108419
                   +1 :               0.00002553951110
                   +2 :              -0.00005030009856
              6 vec=    10.582837     -3.115717     -4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00002183252817
                2s
                   +0 :               0.00030171288713
                3s
                   +0 :               0.00003914036094
                2p
                   -1 :              -0.00024208294349
                   +0 :              -0.00059831474208
                   +1 :               0.00078106011988
                3p
                   -1 :               0.00008102191901
                   +0 :               0.00046827328100
                   +1 :              -0.00051590677065
                3d
                   -2 :              -0.00001170783706
                   -1 :               0.00001570177767
                   +0 :              -0.00007451794994
                   +1 :               0.00003089561526
                   +2 :               0.00003429831905
              7 vec=    10.582837      5.868041     -4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00003725655609
                2s
                   +0 :               0.00050006155146
                3s
                   +0 :              -0.00007946799506
                2p
                   -1 :              -0.00012624790535
                   +0 :               0.00015843638906
                   +1 :              -0.00027267239917
                3p
                   -1 :               0.00017664146372
                   +0 :              -0.00020217329951
                   +1 :               0.00028643032582
                3d
                   -2 :               0.00001698478240
                   -1 :              -0.00000184334692
                   +0 :               0.00000280567124
                   +1 :              -0.00001210738283
                   +2 :               0.00000336149219
              8 vec=   -12.757651      1.376162     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00001615063421
                2s
                   +0 :              -0.00045672780958
                3s
                   +0 :              -0.00009752755946
                2p
                   -1 :               0.00021260159062
                   +0 :               0.00007850784235
                   +1 :              -0.00017147078690
                3p
                   -1 :              -0.00032428454046
                   +0 :               0.00025344016637
                   +1 :               0.00024389542355
                3d
                   -2 :               0.00004392123985
                   -1 :               0.00002977689612
                   +0 :              -0.00004083184096
                   +1 :              -0.00002463613745
                   +2 :              -0.00000497905006
              9 vec=    -4.977489    -12.099475     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00014167288715
                2s
                   +0 :               0.00074550930610
                3s
                   +0 :              -0.00044406406328
                2p
                   -1 :               0.00020465918988
                   +0 :              -0.00018507420397
                   +1 :              -0.00000670303282
                3p
                   -1 :              -0.00023072868296
                   +0 :               0.00014142409686
                   +1 :              -0.00006221585573
                3d
                   -2 :              -0.00000877472457
                   -1 :               0.00001507819965
                   +0 :              -0.00000959447410
                   +1 :              -0.00000033645688
                   +2 :              -0.00002507893614
             10 vec=   -12.757651     -7.607596     -4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00000564511063
                2s
                   +0 :               0.00000841412368
                3s
                   +0 :              -0.00009882179734
                2p
                   -1 :               0.00010195080685
                   +0 :               0.00014078298787
                   +1 :              -0.00012356401961
                3p
                   -1 :              -0.00002340693783
                   +0 :              -0.00007218537530
                   +1 :               0.00016081891453
                3d
                   -2 :               0.00000010179730
                   -1 :               0.00000773572451
                   +0 :              -0.00001323318261
                   +1 :               0.00000549944187
                   +2 :              -0.00001459193496
             11 vec=    -4.977489     14.851799     -4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00003070085379
                2s
                   +0 :              -0.00018616067977
                3s
                   +0 :               0.00008550191793
                2p
                   -1 :              -0.00032246881386
                   +0 :              -0.00016501726392
                   +1 :              -0.00001026887888
                3p
                   -1 :               0.00022229585531
                   +0 :               0.00014126879201
                   +1 :              -0.00002484429877
                3d
                   -2 :              -0.00000709152324
                   -1 :               0.00000721214735
                   +0 :              -0.00000483629323
                   +1 :              -0.00000546262679
                   +2 :              -0.00001596870429
             12 vec=    10.582837    -12.099475     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00001329804882
                2s
                   +0 :               0.00013215514008
                3s
                   +0 :              -0.00004675354380
                2p
                   -1 :               0.00000488047011
                   +0 :               0.00000795003087
                   +1 :              -0.00006377242591
                3p
                   -1 :              -0.00006816321313
                   +0 :              -0.00002812583638
                   +1 :               0.00007873587269
                3d
                   -2 :              -0.00000690298101
                   -1 :              -0.00000477757396
                   +0 :              -0.00000655453468
                   +1 :               0.00000956816210
                   +2 :              -0.00001171289990
             13 vec=   -12.757651     10.359920     -4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00001293901704
                2s
                   +0 :              -0.00007855807860
                3s
                   +0 :               0.00001197597354
                2p
                   -1 :              -0.00000095134728
                   +0 :              -0.00002487748336
                   +1 :              -0.00002685976562
                3p
                   -1 :              -0.00003632735456
                   +0 :               0.00003634955176
                   +1 :               0.00006094746483
                3d
                   -2 :               0.00001155668206
                   -1 :               0.00000251424620
                   +0 :              -0.00000246482210
                   +1 :               0.00000218750179
                   +2 :               0.00000731122406
             14 vec=     2.802674    -16.591354     -4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00000996722127
                2s
                   +0 :              -0.00006231772478
                3s
                   +0 :               0.00003169176652
                2p
                   -1 :               0.00003656163899
                   +0 :               0.00001292080695
                   +1 :               0.00000660748023
                3p
                   -1 :              -0.00004751752256
                   +0 :               0.00002305663736
                   +1 :               0.00000353941314
                3d
                   -2 :               0.00000302123710
                   -1 :              -0.00000162863999
                   +0 :              -0.00000505000834
                   +1 :              -0.00000201955416
                   +2 :               0.00000043776890
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 21)  npairs=  14
              1 vec=    -2.593388      1.013667     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00179646495856
                2s
                   +0 :              -0.04940211719908
                3s
                   +0 :               0.00379816889990
                2p
                   -1 :              -0.00634623727192
                   +0 :               0.03263011372968
                   +1 :               0.00866841051214
                3p
                   -1 :              -0.00235061740072
                   +0 :              -0.00408441812906
                   +1 :              -0.00357077652905
                3d
                   -2 :               0.00081846351778
                   -1 :               0.00124732603641
                   +0 :              -0.00182894252791
                   +1 :               0.00005061390220
                   +2 :               0.00010067438462
              2 vec=     5.186775     -3.478212     -4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00010641294647
                2s
                   +0 :               0.00105168512945
                3s
                   +0 :              -0.00050274114255
                2p
                   -1 :              -0.00025964822721
                   +0 :               0.00249583288049
                   +1 :               0.00469896237379
                3p
                   -1 :              -0.00110366643059
                   +0 :              -0.00351156184132
                   +1 :              -0.00296230591898
                3d
                   -2 :               0.00028192281473
                   -1 :              -0.00023755989531
                   +0 :               0.00035284337288
                   +1 :               0.00021415790108
                   +2 :              -0.00010501190921
              3 vec=     5.186775      5.505546     -4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00003410455143
                2s
                   +0 :              -0.00045216641395
                3s
                   +0 :               0.00052420135984
                2p
                   -1 :               0.00106515329929
                   +0 :               0.00442423275878
                   +1 :               0.00018450285845
                3p
                   -1 :              -0.00015935381768
                   +0 :              -0.00320616008106
                   +1 :               0.00021126011756
                3d
                   -2 :               0.00002017796432
                   -1 :              -0.00015550543224
                   +0 :               0.00006545795583
                   +1 :              -0.00010793233592
                   +2 :               0.00002738591503
              4 vec=    -2.593388     -7.970091     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00046164960736
                2s
                   +0 :              -0.00271175069575
                3s
                   +0 :               0.00121995990275
                2p
                   -1 :               0.00229307615536
                   +0 :               0.00079687502653
                   +1 :              -0.00119017427271
                3p
                   -1 :              -0.00195261662639
                   +0 :               0.00047544018313
                   +1 :               0.00091937589184
                3d
                   -2 :               0.00002762668207
                   -1 :              -0.00001036692967
                   +0 :              -0.00015978713105
                   +1 :               0.00004918816945
                   +2 :              -0.00020606811372
              5 vec=    -2.593388      9.997425     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00014085302827
                2s
                   +0 :               0.00072909575597
                3s
                   +0 :              -0.00051735830681
                2p
                   -1 :               0.00108438908310
                   +0 :               0.00022473275442
                   +1 :              -0.00049488214481
                3p
                   -1 :              -0.00123103662315
                   +0 :               0.00005740898162
                   +1 :               0.00025164293770
                3d
                   -2 :               0.00002880240127
                   -1 :              -0.00001212901779
                   +0 :               0.00010058179910
                   +1 :               0.00001870820518
                   +2 :               0.00010000295951
              6 vec=   -10.373550     -3.478212     -4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00008347587195
                2s
                   +0 :               0.00019010522163
                3s
                   +0 :              -0.00020299029923
                2p
                   -1 :              -0.00071777543825
                   +0 :              -0.00031693669734
                   +1 :              -0.00002694008699
                3p
                   -1 :               0.00086020781451
                   +0 :               0.00029414920192
                   +1 :               0.00020234765792
                3d
                   -2 :              -0.00005861407634
                   -1 :               0.00006019418828
                   +0 :               0.00009908786018
                   +1 :              -0.00000942583433
                   +2 :              -0.00008299116363
              7 vec=   -10.373550      5.505546     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00002129610990
                2s
                   +0 :              -0.00051966593767
                3s
                   +0 :               0.00005005179926
                2p
                   -1 :              -0.00070248254677
                   +0 :               0.00039326542102
                   +1 :               0.00063696333904
                3p
                   -1 :               0.00059771623508
                   +0 :              -0.00047287808800
                   +1 :              -0.00044153831946
                3d
                   -2 :              -0.00001759294504
                   -1 :              -0.00003860803429
                   +0 :               0.00001668341194
                   +1 :               0.00007526747736
                   +2 :              -0.00001675537425
              8 vec=    12.966938      1.013667     -4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00001244213618
                2s
                   +0 :               0.00043151150874
                3s
                   +0 :               0.00017478724214
                2p
                   -1 :              -0.00005579395052
                   +0 :              -0.00052490137485
                   +1 :               0.00000016657791
                3p
                   -1 :               0.00019995364514
                   +0 :              -0.00001394201920
                   +1 :               0.00026035037369
                3d
                   -2 :               0.00000793606462
                   -1 :              -0.00002099895216
                   +0 :               0.00000240154981
                   +1 :              -0.00001998465875
                   +2 :               0.00002101027528
              9 vec=     5.186775    -12.461970     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00002165593328
                2s
                   +0 :               0.00021653258406
                3s
                   +0 :              -0.00006005973416
                2p
                   -1 :              -0.00032129265815
                   +0 :              -0.00016363207138
                   +1 :              -0.00013632368858
                3p
                   -1 :               0.00027636168209
                   +0 :               0.00005780606068
                   +1 :               0.00003445129024
                3d
                   -2 :               0.00002200311368
                   -1 :              -0.00001245595186
                   +0 :               0.00001036446620
                   +1 :              -0.00000267536059
                   +2 :               0.00002384167912
             10 vec=    12.966938     -7.970091     -4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000164572148
                2s
                   +0 :               0.00002096213411
                3s
                   +0 :               0.00002149914100
                2p
                   -1 :               0.00004282288534
                   +0 :              -0.00002797011778
                   +1 :               0.00008944758366
                3p
                   -1 :              -0.00007423317673
                   +0 :              -0.00003381281145
                   +1 :              -0.00006517819126
                3d
                   -2 :              -0.00000900638586
                   -1 :               0.00000157915939
                   +0 :               0.00000278893899
                   +1 :               0.00000670992644
                   +2 :              -0.00000321717689
             11 vec=     5.186775     14.489304     -4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00002722701175
                2s
                   +0 :               0.00022755704847
                3s
                   +0 :              -0.00009383324613
                2p
                   -1 :               0.00030602704246
                   +0 :               0.00006273628227
                   +1 :              -0.00001166660999
                3p
                   -1 :              -0.00018316421007
                   +0 :              -0.00004431763367
                   +1 :               0.00001721553372
                3d
                   -2 :               0.00000543046764
                   -1 :              -0.00000985971739
                   +0 :              -0.00000728578752
                   +1 :              -0.00000402647601
                   +2 :               0.00001251275882
             12 vec=   -10.373550    -12.461970     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00000065185867
                2s
                   +0 :              -0.00001402634353
                3s
                   +0 :              -0.00000525301215
                2p
                   -1 :               0.00034308424815
                   +0 :               0.00006123548165
                   +1 :              -0.00004371739510
                3p
                   -1 :              -0.00029083138771
                   +0 :              -0.00002735288967
                   +1 :               0.00003585061927
                3d
                   -2 :               0.00001424539671
                   -1 :               0.00000769941602
                   +0 :              -0.00000817013191
                   +1 :               0.00000181112735
                   +2 :              -0.00001120626160
             13 vec=    12.966938      9.997425     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00002369341964
                2s
                   +0 :               0.00017048859625
                3s
                   +0 :              -0.00007272403391
                2p
                   -1 :               0.00023168052419
                   +0 :              -0.00004298790575
                   +1 :               0.00004811579538
                3p
                   -1 :              -0.00016633653161
                   +0 :               0.00001015390184
                   +1 :              -0.00000570672049
                3d
                   -2 :              -0.00000192517577
                   -1 :              -0.00000208988332
                   +0 :               0.00000153011678
                   +1 :              -0.00000050193455
                   +2 :               0.00000931121029
             14 vec=    -2.593388    -16.953849     -4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000584136783
                2s
                   +0 :               0.00005189021075
                3s
                   +0 :              -0.00002094668591
                2p
                   -1 :              -0.00010889372612
                   +0 :              -0.00003697834463
                   +1 :               0.00004787081133
                3p
                   -1 :               0.00009491927832
                   +0 :               0.00002167383769
                   +1 :              -0.00005240406156
                3d
                   -2 :               0.00000577552576
                   -1 :              -0.00000020168978
                   +0 :               0.00000473043798
                   +1 :              -0.00000118784923
                   +2 :               0.00000974481953
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 22)  npairs=  15
              1 vec=    -4.976970     -0.363094      8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00006716673895
                2s
                   +0 :              -0.00112694873192
                3s
                   +0 :              -0.00007668821813
                2p
                   -1 :               0.00341986606667
                   +0 :              -0.00299297263362
                   +1 :               0.00103456271761
                3p
                   -1 :              -0.00096448616850
                   +0 :               0.00060136914800
                   +1 :               0.00000838573194
                3d
                   -2 :               0.00008116281228
                   -1 :               0.00009346226017
                   +0 :               0.00010743371606
                   +1 :               0.00005641434295
                   +2 :              -0.00001376626028
              2 vec=     2.803193      4.128785      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00012189348511
                2s
                   +0 :               0.00141025531300
                3s
                   +0 :               0.00011460425962
                2p
                   -1 :               0.00285543996442
                   +0 :               0.00202915498464
                   +1 :              -0.00129815626584
                3p
                   -1 :              -0.00066535604794
                   +0 :               0.00053075834586
                   +1 :               0.00097837041554
                3d
                   -2 :               0.00005814697611
                   -1 :               0.00006915744530
                   +0 :               0.00002352907512
                   +1 :               0.00008898857735
                   +2 :              -0.00011156881439
              3 vec=     2.803193     -4.854973      8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00011590430432
                2s
                   +0 :              -0.00132193016745
                3s
                   +0 :               0.00030722727504
                2p
                   -1 :               0.00089598105025
                   +0 :              -0.00118565625073
                   +1 :               0.00033947268333
                3p
                   -1 :              -0.00074787378373
                   +0 :               0.00080979046363
                   +1 :              -0.00051039869078
                3d
                   -2 :              -0.00002224881661
                   -1 :               0.00002354279708
                   +0 :              -0.00012149076984
                   +1 :              -0.00001306086959
                   +2 :               0.00005415045153
              4 vec=    -4.976970      8.620664      8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00006111412968
                2s
                   +0 :              -0.00054398324769
                3s
                   +0 :               0.00015429181764
                2p
                   -1 :              -0.00026587745221
                   +0 :               0.00004487110173
                   +1 :               0.00075519959249
                3p
                   -1 :               0.00011560006317
                   +0 :               0.00006511729863
                   +1 :              -0.00059122947304
                3d
                   -2 :              -0.00001960773554
                   -1 :               0.00002036526302
                   +0 :               0.00003565510943
                   +1 :              -0.00003606697398
                   +2 :               0.00000538701918
              5 vec=    -4.976970     -9.346852      8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00002943634152
                2s
                   +0 :              -0.00034680703861
                3s
                   +0 :               0.00015924566536
                2p
                   -1 :               0.00004110886663
                   +0 :              -0.00026561086986
                   +1 :               0.00031001163228
                3p
                   -1 :               0.00001226764726
                   +0 :               0.00002001073946
                   +1 :              -0.00021740505059
                3d
                   -2 :               0.00001738570806
                   -1 :              -0.00001786753696
                   +0 :               0.00000133166647
                   +1 :              -0.00001185293874
                   +2 :              -0.00003905404336
              6 vec=    10.583355     -0.363094      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00001249898438
                2s
                   +0 :               0.00035394498006
                3s
                   +0 :               0.00002308309644
                2p
                   -1 :               0.00001344325291
                   +0 :              -0.00010774241991
                   +1 :              -0.00006241115402
                3p
                   -1 :              -0.00013237827155
                   +0 :               0.00016293455244
                   +1 :               0.00032041618505
                3d
                   -2 :              -0.00002214923703
                   -1 :               0.00000545631423
                   +0 :              -0.00000314699668
                   +1 :              -0.00002952363706
                   +2 :               0.00002595971653
              7 vec=   -12.757133      4.128785      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00001085404601
                2s
                   +0 :              -0.00009927419184
                3s
                   +0 :              -0.00000384037986
                2p
                   -1 :               0.00002154007527
                   +0 :              -0.00019527057264
                   +1 :               0.00019437743191
                3p
                   -1 :              -0.00005770238836
                   +0 :               0.00010640225755
                   +1 :              -0.00010295745757
                3d
                   -2 :               0.00000277159401
                   -1 :              -0.00000989161570
                   +0 :               0.00001063879772
                   +1 :              -0.00001019520525
                   +2 :               0.00000217271658
              8 vec=     2.803193     13.112543      8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00002398847753
                2s
                   +0 :               0.00015943777447
                3s
                   +0 :              -0.00006573260056
                2p
                   -1 :               0.00015137056986
                   +0 :               0.00012874640479
                   +1 :              -0.00023993120252
                3p
                   -1 :              -0.00007074223859
                   +0 :              -0.00005031227500
                   +1 :               0.00014961170458
                3d
                   -2 :               0.00000526337847
                   -1 :              -0.00000328520617
                   +0 :              -0.00001496955164
                   +1 :               0.00000902989235
                   +2 :              -0.00000318679124
              9 vec=   -12.757133     -4.854973      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00007339205233
                2s
                   +0 :               0.00048083658414
                3s
                   +0 :              -0.00024839528488
                2p
                   -1 :              -0.00004001916727
                   +0 :               0.00001545180964
                   +1 :              -0.00024630167849
                3p
                   -1 :               0.00002234768452
                   +0 :              -0.00005420675541
                   +1 :               0.00021690179081
                3d
                   -2 :               0.00001625566607
                   -1 :               0.00000879655178
                   +0 :              -0.00000184534833
                   +1 :              -0.00000535204679
                   +2 :              -0.00001477046420
             10 vec=    10.583355      8.620664      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00002007185855
                2s
                   +0 :              -0.00010448137115
                3s
                   +0 :               0.00009766078867
                2p
                   -1 :              -0.00006474949525
                   +0 :              -0.00007000489806
                   +1 :               0.00012657005982
                3p
                   -1 :               0.00008337113854
                   +0 :               0.00006954673622
                   +1 :              -0.00007846143609
                3d
                   -2 :              -0.00000431913178
                   -1 :               0.00000935462036
                   +0 :               0.00000261115122
                   +1 :              -0.00000695740930
                   +2 :              -0.00000264892475
             11 vec=     2.803193    -13.838731      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00001709575301
                2s
                   +0 :               0.00010705060249
                3s
                   +0 :              -0.00005449660001
                2p
                   -1 :              -0.00017005384246
                   +0 :              -0.00000036017780
                   +1 :               0.00000928847298
                3p
                   -1 :               0.00011679230128
                   +0 :               0.00004030506992
                   +1 :              -0.00004737465917
                3d
                   -2 :               0.00000308142221
                   -1 :               0.00000343410520
                   +0 :               0.00001545471748
                   +1 :              -0.00000505441452
                   +2 :               0.00000493429952
             12 vec=    10.583355     -9.346852      8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00004819794518
                2s
                   +0 :              -0.00020484923484
                3s
                   +0 :               0.00016672701115
                2p
                   -1 :               0.00019367084450
                   +0 :              -0.00016503791491
                   +1 :               0.00022891538785
                3p
                   -1 :              -0.00023231124927
                   +0 :               0.00017578096990
                   +1 :              -0.00014880182519
                3d
                   -2 :              -0.00000934812779
                   -1 :              -0.00000918700006
                   +0 :               0.00000357886694
                   +1 :               0.00000846288368
                   +2 :              -0.00000852445867
             13 vec=    -4.976970     -0.363094    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00001257501224
                2s
                   +0 :              -0.00009356533867
                3s
                   +0 :               0.00004577365928
                2p
                   -1 :              -0.00000364247621
                   +0 :               0.00006505732350
                   +1 :              -0.00002079178809
                3p
                   -1 :              -0.00000421305288
                   +0 :              -0.00003736074473
                   +1 :               0.00000368088147
                3d
                   -2 :               0.00000425998094
                   -1 :              -0.00000176629014
                   +0 :               0.00000572289110
                   +1 :              -0.00000233000119
                   +2 :              -0.00000066741630
             14 vec=     2.803193      4.128785    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00000333292008
                2s
                   +0 :              -0.00003188094840
                3s
                   +0 :               0.00000861189578
                2p
                   -1 :              -0.00000520364893
                   +0 :               0.00005173922955
                   +1 :               0.00001749998583
                3p
                   -1 :               0.00000910681734
                   +0 :              -0.00001372513698
                   +1 :               0.00000679852473
                3d
                   -2 :               0.00000680158984
                   -1 :              -0.00000322154881
                   +0 :              -0.00000227998202
                   +1 :              -0.00000531304118
                   +2 :               0.00000568409299
             15 vec=     2.803193     -4.854973    -16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001319198344
                2s
                   +0 :               0.00010781549299
                3s
                   +0 :              -0.00002573180605
                2p
                   -1 :              -0.00007893278190
                   +0 :              -0.00001951634946
                   +1 :              -0.00010546471747
                3p
                   -1 :               0.00003711766047
                   +0 :              -0.00005930111402
                   +1 :               0.00002668839723
                3d
                   -2 :               0.00000195706003
                   -1 :               0.00000104331867
                   +0 :               0.00000696181727
                   +1 :               0.00000471023859
                   +2 :              -0.00000601880187
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 23)  npairs=  14
              1 vec=    -0.209805     -0.363094      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00032357919568
                2s
                   +0 :               0.00194339421018
                3s
                   +0 :              -0.00077975621152
                2p
                   -1 :               0.00070984797576
                   +0 :               0.00031045275377
                   +1 :              -0.00103608541338
                3p
                   -1 :              -0.00060925162280
                   +0 :               0.00034269758063
                   +1 :              -0.00038854816597
                3d
                   -2 :              -0.00000684522917
                   -1 :              -0.00003151290500
                   +0 :               0.00027050232815
                   +1 :              -0.00008070517247
                   +2 :              -0.00008028892954
              2 vec=     7.570358      4.128785      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00002333862387
                2s
                   +0 :               0.00038623072558
                3s
                   +0 :               0.00014848956646
                2p
                   -1 :              -0.00032219866910
                   +0 :               0.00048604761457
                   +1 :               0.00026802584584
                3p
                   -1 :               0.00049399700818
                   +0 :               0.00014554137958
                   +1 :              -0.00012004503911
                3d
                   -2 :              -0.00000011963843
                   -1 :              -0.00001313191285
                   +0 :               0.00001441840643
                   +1 :               0.00000779419743
                   +2 :              -0.00003287478942
              3 vec=    -0.209805      8.620664      8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00001878120226
                2s
                   +0 :              -0.00003436193605
                3s
                   +0 :              -0.00001693894098
                2p
                   -1 :              -0.00053493548087
                   +0 :              -0.00021749608801
                   +1 :              -0.00055669935554
                3p
                   -1 :               0.00028931079700
                   +0 :               0.00018594797898
                   +1 :               0.00018383106392
                3d
                   -2 :              -0.00005377887765
                   -1 :              -0.00000161065928
                   +0 :               0.00000691106668
                   +1 :              -0.00001846445704
                   +2 :               0.00000187390132
              4 vec=     7.570358     -4.854973      8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00017131489676
                2s
                   +0 :              -0.00079399223389
                3s
                   +0 :               0.00056635884276
                2p
                   -1 :              -0.00155275098588
                   +0 :              -0.00049393236398
                   +1 :              -0.00135305582665
                3p
                   -1 :               0.00113817019145
                   +0 :               0.00045783406441
                   +1 :               0.00121214220432
                3d
                   -2 :               0.00000892761592
                   -1 :               0.00003669751355
                   +0 :               0.00007425564027
                   +1 :               0.00012593203777
                   +2 :               0.00007605422859
              5 vec=    -7.989968      4.128785      8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00009494758313
                2s
                   +0 :              -0.00107063309924
                3s
                   +0 :               0.00032757634663
                2p
                   -1 :              -0.00004774840946
                   +0 :              -0.00051738474407
                   +1 :               0.00107202028145
                3p
                   -1 :              -0.00033961602048
                   +0 :               0.00000931094628
                   +1 :              -0.00058393787715
                3d
                   -2 :               0.00000598013511
                   -1 :               0.00002218546550
                   +0 :              -0.00004363578168
                   +1 :              -0.00003920818734
                   +2 :               0.00005146334572
              6 vec=    -0.209805     -9.346852      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00001093105948
                2s
                   +0 :               0.00008445249020
                3s
                   +0 :              -0.00005081945732
                2p
                   -1 :               0.00010907425631
                   +0 :               0.00004396667247
                   +1 :              -0.00047766634419
                3p
                   -1 :              -0.00004673239885
                   +0 :              -0.00014924301219
                   +1 :               0.00018853732580
                3d
                   -2 :              -0.00001057983927
                   -1 :               0.00000977035573
                   +0 :              -0.00000910528040
                   +1 :              -0.00003409392209
                   +2 :              -0.00001200866874
              7 vec=    -7.989968     -4.854973      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00002897581991
                2s
                   +0 :               0.00001182223187
                3s
                   +0 :              -0.00010967240331
                2p
                   -1 :               0.00082103963400
                   +0 :              -0.00043263289296
                   +1 :               0.00092303307355
                3p
                   -1 :              -0.00051317576035
                   +0 :               0.00028396336296
                   +1 :              -0.00076599453442
                3d
                   -2 :               0.00001501163049
                   -1 :               0.00000356310816
                   +0 :               0.00000609509231
                   +1 :              -0.00004311824565
                   +2 :               0.00003689007801
              8 vec=    -0.209805     -0.363094    -16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00001328491198
                2s
                   +0 :               0.00006238427867
                3s
                   +0 :              -0.00004953454185
                2p
                   -1 :               0.00007635695520
                   +0 :              -0.00003321568764
                   +1 :               0.00005318909379
                3p
                   -1 :              -0.00003997837132
                   +0 :               0.00004554472004
                   +1 :              -0.00004591726766
                3d
                   -2 :              -0.00000916642931
                   -1 :               0.00000321347973
                   +0 :              -0.00000044137476
                   +1 :               0.00000497992684
                   +2 :               0.00000438291604
              9 vec=     7.570358     13.112543      8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00002138124469
                2s
                   +0 :               0.00015845444520
                3s
                   +0 :              -0.00007141344617
                2p
                   -1 :               0.00015624774006
                   +0 :               0.00009215118807
                   +1 :               0.00002250917136
                3p
                   -1 :              -0.00002850274506
                   +0 :              -0.00004575903874
                   +1 :              -0.00000949982929
                3d
                   -2 :               0.00000330070763
                   -1 :               0.00000268283366
                   +0 :               0.00000149884099
                   +1 :              -0.00000197389982
                   +2 :              -0.00000505720088
             10 vec=    15.350520     -0.363094      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00003780765532
                2s
                   +0 :               0.00028993160326
                3s
                   +0 :              -0.00009181303115
                2p
                   -1 :               0.00016716911524
                   +0 :               0.00007673441065
                   +1 :               0.00029632259215
                3p
                   -1 :              -0.00016220555133
                   +0 :              -0.00001965340656
                   +1 :              -0.00015051788955
                3d
                   -2 :              -0.00001390646745
                   -1 :              -0.00000809919954
                   +0 :              -0.00000509047320
                   +1 :               0.00000634996832
                   +2 :               0.00000092907314
             11 vec=    -7.989968     13.112543      8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00000362653722
                2s
                   +0 :              -0.00000269421463
                3s
                   +0 :              -0.00001472229782
                2p
                   -1 :              -0.00006568401299
                   +0 :              -0.00011119215328
                   +1 :               0.00002572045938
                3p
                   -1 :              -0.00003440253645
                   +0 :               0.00001793611258
                   +1 :              -0.00002598339372
                3d
                   -2 :               0.00000798983263
                   -1 :               0.00000056598071
                   +0 :              -0.00000213681269
                   +1 :              -0.00000017983513
                   +2 :               0.00000517562079
             12 vec=     7.570358    -13.838731      8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000300765955
                2s
                   +0 :              -0.00003578327296
                3s
                   +0 :               0.00002063755630
                2p
                   -1 :               0.00003850551791
                   +0 :              -0.00007541901362
                   +1 :              -0.00000215364494
                3p
                   -1 :              -0.00004404182871
                   +0 :               0.00006493726604
                   +1 :              -0.00000418439944
                3d
                   -2 :              -0.00000682850553
                   -1 :              -0.00000147516409
                   +0 :               0.00000376547204
                   +1 :               0.00000163680057
                   +2 :              -0.00000009721980
             13 vec=   -15.770130     -0.363094      8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00001954868426
                2s
                   +0 :              -0.00016313564247
                3s
                   +0 :               0.00002090205252
                2p
                   -1 :               0.00004488238398
                   +0 :              -0.00007585698755
                   +1 :               0.00016575720909
                3p
                   -1 :               0.00000300609514
                   +0 :               0.00000743555140
                   +1 :              -0.00006624447072
                3d
                   -2 :              -0.00000065661094
                   -1 :               0.00000423596537
                   +0 :              -0.00000274122092
                   +1 :               0.00000164981026
                   +2 :              -0.00000057364802
             14 vec=    -7.989968    -13.838731      8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00000538745867
                2s
                   +0 :              -0.00004906803325
                3s
                   +0 :               0.00001320895511
                2p
                   -1 :               0.00005117560540
                   +0 :               0.00005905172494
                   +1 :               0.00001688745998
                3p
                   -1 :              -0.00001744222640
                   +0 :              -0.00005343911450
                   +1 :              -0.00000169007610
                3d
                   -2 :              -0.00000171014363
                   -1 :               0.00000025114313
                   +0 :              -0.00000140649454
                   +1 :              -0.00000068002051
                   +2 :              -0.00000150173314
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 24)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00019748334941
                2s
                   +0 :               0.00145979803134
                3s
                   +0 :              -0.00047182260599
                2p
                   -1 :              -0.00324091285979
                   +0 :               0.00054311001368
                   +1 :              -0.00135905758492
                3p
                   -1 :               0.00221711806798
                   +0 :               0.00055805628035
                   +1 :               0.00047091431388
                3d
                   -2 :              -0.00004874438514
                   -1 :               0.00009078683605
                   +0 :               0.00007788735046
                   +1 :               0.00000095975917
                   +2 :               0.00019188694701
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00000959243775
                2s
                   +0 :               0.00028070607532
                3s
                   +0 :               0.00034108442563
                2p
                   -1 :              -0.00134529790926
                   +0 :               0.00337604993423
                   +1 :               0.00233740100047
                3p
                   -1 :              -0.00001770564380
                   +0 :              -0.00066748183771
                   +1 :              -0.00028105946152
                3d
                   -2 :               0.00001441079667
                   -1 :              -0.00009092517060
                   +0 :               0.00002772836497
                   +1 :               0.00009409363545
                   +2 :               0.00003039725472
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00032592227445
                2s
                   +0 :              -0.00296890786856
                3s
                   +0 :               0.00058831988667
                2p
                   -1 :              -0.00299483856146
                   +0 :              -0.00268652686584
                   +1 :              -0.00249921874907
                3p
                   -1 :               0.00098335237198
                   +0 :               0.00081317064691
                   +1 :               0.00131867989629
                3d
                   -2 :              -0.00007905618020
                   -1 :              -0.00003579768687
                   +0 :              -0.00004946886292
                   +1 :               0.00005921291477
                   +2 :               0.00001621849758
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00000719762967
                2s
                   +0 :               0.00025556488453
                3s
                   +0 :              -0.00003312235462
                2p
                   -1 :               0.00011173681117
                   +0 :               0.00028508514017
                   +1 :               0.00051239034249
                3p
                   -1 :              -0.00007772426681
                   +0 :              -0.00008502366849
                   +1 :              -0.00036759765081
                3d
                   -2 :               0.00003184227423
                   -1 :              -0.00000109234070
                   +0 :              -0.00004297875408
                   +1 :              -0.00000744759111
                   +2 :              -0.00001024059075
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00003592670393
                2s
                   +0 :               0.00012016340760
                3s
                   +0 :              -0.00013017188230
                2p
                   -1 :              -0.00006286449860
                   +0 :               0.00009330663810
                   +1 :              -0.00014954919924
                3p
                   -1 :               0.00012025228176
                   +0 :              -0.00017107840909
                   +1 :               0.00015429957989
                3d
                   -2 :              -0.00000179524132
                   -1 :               0.00001082151997
                   +0 :              -0.00002017442470
                   +1 :               0.00000655205678
                   +2 :              -0.00000537765879
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00004317869551
                2s
                   +0 :               0.00051028759839
                3s
                   +0 :               0.00000215467851
                2p
                   -1 :               0.00021149861239
                   +0 :              -0.00005622047970
                   +1 :               0.00029193849932
                3p
                   -1 :               0.00012775004520
                   +0 :               0.00002265501164
                   +1 :              -0.00026094701788
                3d
                   -2 :               0.00001036468357
                   -1 :               0.00001774643245
                   +0 :               0.00002426282444
                   +1 :               0.00001902114939
                   +2 :              -0.00002634992284
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000192986301
                2s
                   +0 :              -0.00002818502992
                3s
                   +0 :               0.00000278607532
                2p
                   -1 :               0.00002408895751
                   +0 :              -0.00000445445109
                   +1 :              -0.00007499054791
                3p
                   -1 :              -0.00000931363518
                   +0 :              -0.00004555206503
                   +1 :               0.00004840097288
                3d
                   -2 :              -0.00000805661887
                   -1 :               0.00000422039327
                   +0 :              -0.00000815266540
                   +1 :               0.00000713670410
                   +2 :              -0.00000816716880
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001350278269
                2s
                   +0 :               0.00001808275660
                3s
                   +0 :              -0.00006993012871
                2p
                   -1 :              -0.00014589584204
                   +0 :              -0.00012553339651
                   +1 :              -0.00004563316653
                3p
                   -1 :               0.00018861934483
                   +0 :               0.00005996138623
                   +1 :               0.00010434897944
                3d
                   -2 :              -0.00000278693181
                   -1 :              -0.00000957530515
                   +0 :               0.00001250818687
                   +1 :               0.00000525766461
                   +2 :               0.00001201152287
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00004448207762
                2s
                   +0 :               0.00027212678942
                3s
                   +0 :              -0.00014373861372
                2p
                   -1 :              -0.00024355000195
                   +0 :               0.00018871300103
                   +1 :               0.00019551686436
                3p
                   -1 :               0.00017742829558
                   +0 :              -0.00011316998306
                   +1 :              -0.00013323598774
                3d
                   -2 :              -0.00000117443433
                   -1 :               0.00000236813112
                   +0 :              -0.00000152539851
                   +1 :              -0.00000231667444
                   +2 :              -0.00002661514020
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00002779795356
                2s
                   +0 :               0.00017789135028
                3s
                   +0 :              -0.00003823090648
                2p
                   -1 :               0.00035995289067
                   +0 :               0.00008269091481
                   +1 :               0.00012626379710
                3p
                   -1 :              -0.00024196128029
                   +0 :              -0.00001320598133
                   +1 :              -0.00006502004081
                3d
                   -2 :              -0.00000443022836
                   -1 :              -0.00000668216771
                   +0 :               0.00000602980455
                   +1 :              -0.00000582981849
                   +2 :              -0.00000128023089
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001440662826
                2s
                   +0 :              -0.00015313963423
                3s
                   +0 :               0.00002188499389
                2p
                   -1 :              -0.00018907776236
                   +0 :              -0.00013032382710
                   +1 :               0.00002270729812
                3p
                   -1 :               0.00010688760136
                   +0 :               0.00008865717566
                   +1 :               0.00003200358854
                3d
                   -2 :               0.00000892458208
                   -1 :               0.00000343376074
                   +0 :               0.00000096008301
                   +1 :               0.00000823920929
                   +2 :              -0.00000450756807
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00003297488376
                2s
                   +0 :              -0.00020409817960
                3s
                   +0 :               0.00009060085940
                2p
                   -1 :               0.00000261263164
                   +0 :              -0.00016440238830
                   +1 :              -0.00017377655644
                3p
                   -1 :              -0.00004576746096
                   +0 :               0.00009653027900
                   +1 :               0.00014158749814
                3d
                   -2 :               0.00000685104642
                   -1 :               0.00000646144886
                   +0 :               0.00000542748996
                   +1 :               0.00000908168273
                   +2 :               0.00000152553405
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000643195329
                2s
                   +0 :               0.00001203199530
                3s
                   +0 :              -0.00002834190690
                2p
                   -1 :               0.00000335561407
                   +0 :              -0.00002389869249
                   +1 :              -0.00010496012152
                3p
                   -1 :               0.00002266913217
                   +0 :               0.00006354486990
                   +1 :               0.00005435532431
                3d
                   -2 :              -0.00000286275371
                   -1 :              -0.00000624655512
                   +0 :              -0.00000009580073
                   +1 :               0.00000092701647
                   +2 :               0.00000345992306
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000701416171
                2s
                   +0 :               0.00004299956509
                3s
                   +0 :              -0.00001971837076
                2p
                   -1 :               0.00002571593320
                   +0 :              -0.00000292120343
                   +1 :              -0.00003120029309
                3p
                   -1 :              -0.00000163288995
                   +0 :               0.00001229351864
                   +1 :               0.00000129852619
                3d
                   -2 :               0.00000254450549
                   -1 :              -0.00000233337720
                   +0 :              -0.00000112975263
                   +1 :              -0.00000065932038
                   +2 :               0.00000329292539
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001561827134
                2s
                   +0 :               0.00012207043165
                3s
                   +0 :              -0.00004896910763
                2p
                   -1 :              -0.00012119990361
                   +0 :              -0.00006481140771
                   +1 :              -0.00001255593625
                3p
                   -1 :               0.00008886748308
                   +0 :               0.00001605451101
                   +1 :              -0.00000036496044
                3d
                   -2 :               0.00000303952982
                   -1 :              -0.00000416389953
                   +0 :               0.00000604110105
                   +1 :               0.00000121376442
                   +2 :               0.00000347125003
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 25)  npairs=  14
              1 vec=    -2.803193      1.376461      4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00274509531555
                2s
                   +0 :              -0.04476186246225
                3s
                   +0 :               0.00502280483707
                2p
                   -1 :              -0.00858322219584
                   +0 :              -0.02044335940750
                   +1 :               0.00904123286480
                3p
                   -1 :              -0.00031936441099
                   +0 :              -0.00187398588476
                   +1 :               0.00111811285589
                3d
                   -2 :               0.00059862102193
                   -1 :              -0.00206298903092
                   +0 :              -0.00162171743982
                   +1 :               0.00098143407549
                   +2 :               0.00010849992583
              2 vec=     4.976970     -3.115418      4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00117024926253
                2s
                   +0 :               0.00930463470304
                3s
                   +0 :              -0.00501433640479
                2p
                   -1 :              -0.00466756840831
                   +0 :               0.01085407473876
                   +1 :               0.00999722647378
                3p
                   -1 :               0.00386097206998
                   +0 :              -0.00746972388623
                   +1 :              -0.00758293264896
                3d
                   -2 :               0.00036125911150
                   -1 :               0.00051629420144
                   +0 :              -0.00046548870341
                   +1 :              -0.00106048990288
                   +2 :              -0.00020198718085
              3 vec=     4.976970      5.868340      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00007003379457
                2s
                   +0 :              -0.00053198732482
                3s
                   +0 :               0.00040479607169
                2p
                   -1 :               0.00205964610435
                   +0 :               0.00187599488968
                   +1 :               0.00014247543942
                3p
                   -1 :              -0.00172538180090
                   +0 :              -0.00056528815448
                   +1 :               0.00037044547235
                3d
                   -2 :              -0.00019833991591
                   -1 :              -0.00009147308719
                   +0 :               0.00003273694267
                   +1 :              -0.00005597564188
                   +2 :               0.00006575704910
              4 vec=    -2.803193     -7.607297      4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00035316994047
                2s
                   +0 :              -0.00206870000742
                3s
                   +0 :               0.00087917004743
                2p
                   -1 :              -0.00064651221150
                   +0 :              -0.00168885681995
                   +1 :              -0.00065187575095
                3p
                   -1 :               0.00058162808564
                   +0 :               0.00016936907143
                   +1 :               0.00014962758791
                3d
                   -2 :              -0.00008926432540
                   -1 :               0.00026528844384
                   +0 :               0.00002230499390
                   +1 :               0.00002863763455
                   +2 :               0.00013697692116
              5 vec=    -2.803193     10.360219      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00005217282845
                2s
                   +0 :              -0.00036618713284
                3s
                   +0 :              -0.00005816370463
                2p
                   -1 :              -0.00032585719171
                   +0 :               0.00041995595440
                   +1 :              -0.00059637710062
                3p
                   -1 :              -0.00023095929465
                   +0 :              -0.00054581946375
                   +1 :               0.00048102036333
                3d
                   -2 :               0.00003408632417
                   -1 :              -0.00006677084033
                   +0 :               0.00007717587597
                   +1 :              -0.00002590329250
                   +2 :               0.00004754261487
              6 vec=   -10.583355     -3.115418      4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00002228132205
                2s
                   +0 :              -0.00031462673615
                3s
                   +0 :              -0.00003943591356
                2p
                   -1 :               0.00026458227470
                   +0 :              -0.00062892964124
                   +1 :               0.00077753883728
                3p
                   -1 :              -0.00010335069204
                   +0 :               0.00049697967516
                   +1 :              -0.00050570656446
                3d
                   -2 :              -0.00000880765874
                   -1 :               0.00001654642974
                   +0 :               0.00007317403740
                   +1 :              -0.00003070372729
                   +2 :              -0.00003591889246
              7 vec=   -10.583355      5.868340      4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00003562185260
                2s
                   +0 :              -0.00048367406051
                3s
                   +0 :               0.00007785650826
                2p
                   -1 :               0.00015427657804
                   +0 :               0.00013320164083
                   +1 :              -0.00030266147751
                3p
                   -1 :              -0.00019433021613
                   +0 :              -0.00018550456680
                   +1 :               0.00031385689710
                3d
                   -2 :               0.00001965144660
                   -1 :              -0.00000092591877
                   +0 :              -0.00000100899578
                   +1 :               0.00001265693066
                   +2 :              -0.00000277472359
              8 vec=    12.757133      1.376461      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00002620534667
                2s
                   +0 :               0.00053280465407
                3s
                   +0 :               0.00006481201068
                2p
                   -1 :              -0.00018369792018
                   +0 :               0.00003132607054
                   +1 :              -0.00015174489801
                3p
                   -1 :               0.00030777665564
                   +0 :               0.00029289270179
                   +1 :               0.00021509805045
                3d
                   -2 :               0.00004418649046
                   -1 :               0.00002884517297
                   +0 :               0.00004069300677
                   +1 :               0.00002697643312
                   +2 :               0.00000463586906
              9 vec=     4.976970    -12.099176      4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00014191931016
                2s
                   +0 :              -0.00074905389108
                3s
                   +0 :               0.00044434397274
                2p
                   -1 :              -0.00020898079466
                   +0 :              -0.00017498878550
                   +1 :              -0.00002983391976
                3p
                   -1 :               0.00023067114363
                   +0 :               0.00013789631085
                   +1 :              -0.00004505089734
                3d
                   -2 :              -0.00000782291401
                   -1 :               0.00001463608482
                   +0 :               0.00000828085844
                   +1 :               0.00000040104697
                   +2 :               0.00002775732363
             10 vec=    12.757133     -7.607297      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00000565811612
                2s
                   +0 :              -0.00000345689204
                3s
                   +0 :               0.00009791049777
                2p
                   -1 :              -0.00012806867531
                   +0 :               0.00016172173323
                   +1 :              -0.00012164337454
                3p
                   -1 :               0.00004556649193
                   +0 :              -0.00009208802899
                   +1 :               0.00016393422230
                3d
                   -2 :               0.00000039385148
                   -1 :               0.00000584160040
                   +0 :               0.00001467280868
                   +1 :              -0.00000687429666
                   +2 :               0.00001521149897
             11 vec=     4.976970     14.852098      4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00002938315473
                2s
                   +0 :               0.00017460209511
                3s
                   +0 :              -0.00008410827921
                2p
                   -1 :               0.00031353930402
                   +0 :              -0.00016376881561
                   +1 :              -0.00001398360276
                3p
                   -1 :              -0.00021682786120
                   +0 :               0.00014176995299
                   +1 :              -0.00002142537766
                3d
                   -2 :              -0.00000727363132
                   -1 :               0.00000704381311
                   +0 :               0.00000413090264
                   +1 :               0.00000518251509
                   +2 :               0.00001627054332
             12 vec=   -10.583355    -12.099176      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00001169865370
                2s
                   +0 :              -0.00012245723956
                3s
                   +0 :               0.00004191692381
                2p
                   -1 :              -0.00000366555677
                   +0 :               0.00000327868898
                   +1 :              -0.00006330708620
                3p
                   -1 :               0.00006764373868
                   +0 :              -0.00002284040840
                   +1 :               0.00007996992116
                3d
                   -2 :              -0.00000550612399
                   -1 :              -0.00000502706588
                   +0 :               0.00000644184869
                   +1 :              -0.00000903330126
                   +2 :               0.00001140876756
             13 vec=    12.757133     10.360219      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00001233049922
                2s
                   +0 :               0.00007724735769
                3s
                   +0 :              -0.00000763234928
                2p
                   -1 :              -0.00001071215895
                   +0 :              -0.00002109801206
                   +1 :              -0.00004094997886
                3p
                   -1 :               0.00004586828169
                   +0 :               0.00002820292441
                   +1 :               0.00007634589265
                3d
                   -2 :               0.00001211933100
                   -1 :               0.00000163784257
                   +0 :               0.00000305814077
                   +1 :              -0.00000281645070
                   +2 :              -0.00000659517841
             14 vec=    -2.803193    -16.591055      4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000842094560
                2s
                   +0 :               0.00005244422939
                3s
                   +0 :              -0.00002608178147
                2p
                   -1 :              -0.00002860959980
                   +0 :               0.00001887058865
                   +1 :              -0.00000328880561
                3p
                   -1 :               0.00004133569392
                   +0 :               0.00001950667878
                   +1 :               0.00001093268357
                3d
                   -2 :               0.00000212129083
                   -1 :              -0.00000101703086
                   +0 :               0.00000535384856
                   +1 :               0.00000171630905
                   +2 :              -0.00000020538954
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 26)  npairs=  14
              1 vec=     0.209805     -3.115418      4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00160641296018
                2s
                   +0 :              -0.00629170557201
                3s
                   +0 :               0.00494363495521
                2p
                   -1 :               0.00840099717982
                   +0 :               0.00075108238654
                   +1 :              -0.00439301431107
                3p
                   -1 :              -0.00758256339326
                   +0 :               0.00149113659705
                   +1 :              -0.00362762616171
                3d
                   -2 :               0.00087196429675
                   -1 :              -0.00071221652581
                   +0 :               0.00047518018586
                   +1 :              -0.00166611640283
                   +2 :              -0.00024635922511
              2 vec=     0.209805      5.868340      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00054300474456
                2s
                   +0 :              -0.00410696958461
                3s
                   +0 :               0.00174962145205
                2p
                   -1 :              -0.00217794406568
                   +0 :              -0.00102351657567
                   +1 :               0.00550689992233
                3p
                   -1 :               0.00111632338553
                   +0 :               0.00079050459483
                   +1 :              -0.00563566775253
                3d
                   -2 :              -0.00011291318961
                   -1 :              -0.00000708971794
                   +0 :              -0.00000847759489
                   +1 :               0.00002798815019
                   +2 :              -0.00012590988519
              3 vec=    -7.570358      1.376461      4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00009399731384
                2s
                   +0 :               0.00123490626585
                3s
                   +0 :              -0.00060480314638
                2p
                   -1 :               0.00047753182681
                   +0 :               0.00001966095210
                   +1 :               0.00220892926741
                3p
                   -1 :              -0.00062216598967
                   +0 :              -0.00012709299809
                   +1 :              -0.00123905800985
                3d
                   -2 :               0.00003776909984
                   -1 :               0.00002603303161
                   +0 :              -0.00000558322748
                   +1 :               0.00003743083914
                   +2 :               0.00013727400886
              4 vec=     7.989968      1.376461      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00023255324265
                2s
                   +0 :               0.00107786123403
                3s
                   +0 :              -0.00041699950267
                2p
                   -1 :               0.00151699883118
                   +0 :               0.00366074120691
                   +1 :              -0.00047941229270
                3p
                   -1 :              -0.00063313167994
                   +0 :              -0.00217438117766
                   +1 :               0.00059907802431
                3d
                   -2 :              -0.00003441957305
                   -1 :              -0.00007484245863
                   +0 :               0.00001670027857
                   +1 :              -0.00002319859404
                   +2 :              -0.00002281115747
              5 vec=    -7.570358     -7.607297      4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00000210564120
                2s
                   +0 :              -0.00036825074374
                3s
                   +0 :               0.00004057231600
                2p
                   -1 :               0.00056727414115
                   +0 :              -0.00002228641205
                   +1 :               0.00055501589949
                3p
                   -1 :              -0.00020405750689
                   +0 :              -0.00012137735908
                   +1 :              -0.00049412392182
                3d
                   -2 :               0.00001860370054
                   -1 :               0.00010337238218
                   +0 :              -0.00006441210075
                   +1 :               0.00000720719202
                   +2 :               0.00005452553010
              6 vec=     7.989968     -7.607297      4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00000980425025
                2s
                   +0 :               0.00030122842081
                3s
                   +0 :              -0.00004440625464
                2p
                   -1 :               0.00060672931184
                   +0 :               0.00101820897368
                   +1 :               0.00007219008674
                3p
                   -1 :              -0.00059643562755
                   +0 :              -0.00077371368467
                   +1 :              -0.00015922113340
                3d
                   -2 :              -0.00005577013102
                   -1 :               0.00004378764490
                   +0 :               0.00010578593450
                   +1 :              -0.00004429709258
                   +2 :              -0.00003201925313
              7 vec=     0.209805    -12.099176      4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00000589550005
                2s
                   +0 :              -0.00006762967976
                3s
                   +0 :              -0.00001253021521
                2p
                   -1 :               0.00012446899510
                   +0 :              -0.00050566925215
                   +1 :               0.00031475720295
                3p
                   -1 :              -0.00006538209343
                   +0 :               0.00034033708453
                   +1 :              -0.00016447679137
                3d
                   -2 :              -0.00001207876185
                   -1 :              -0.00000595291119
                   +0 :               0.00001493465475
                   +1 :               0.00002010342451
                   +2 :               0.00003801547697
              8 vec=    -7.570358     10.360219      4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00006405450290
                2s
                   +0 :              -0.00075598330259
                3s
                   +0 :               0.00009401014887
                2p
                   -1 :              -0.00024380641471
                   +0 :              -0.00045149970715
                   +1 :               0.00015916455155
                3p
                   -1 :               0.00008377559101
                   +0 :               0.00011819824876
                   +1 :              -0.00000778408384
                3d
                   -2 :               0.00003731211678
                   -1 :              -0.00000165366249
                   +0 :              -0.00003683975455
                   +1 :              -0.00002018352255
                   +2 :              -0.00000997591645
              9 vec=     7.989968     10.360219      4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00003670856027
                2s
                   +0 :               0.00005401500106
                3s
                   +0 :               0.00016984213356
                2p
                   -1 :              -0.00025181006481
                   +0 :               0.00005723704871
                   +1 :              -0.00016144625653
                3p
                   -1 :               0.00031603493408
                   +0 :               0.00012376949372
                   +1 :               0.00023588087074
                3d
                   -2 :               0.00002560542445
                   -1 :               0.00000072121625
                   +0 :               0.00001185515718
                   +1 :               0.00001045583095
                   +2 :              -0.00000791343894
             10 vec=     0.209805     14.852098      4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00000116447213
                2s
                   +0 :              -0.00000472820740
                3s
                   +0 :               0.00001123385177
                2p
                   -1 :               0.00011170910023
                   +0 :               0.00003903033550
                   +1 :              -0.00003582500934
                3p
                   -1 :              -0.00008183733267
                   +0 :              -0.00004537327673
                   +1 :              -0.00001868031835
                3d
                   -2 :              -0.00000077061323
                   -1 :              -0.00000183662481
                   +0 :               0.00000828046495
                   +1 :               0.00000971363227
                   +2 :               0.00000967825209
             11 vec=   -15.350520     -3.115418      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000572017642
                2s
                   +0 :              -0.00006082873666
                3s
                   +0 :              -0.00002047562385
                2p
                   -1 :               0.00004562989302
                   +0 :              -0.00007762483782
                   +1 :               0.00011658490451
                3p
                   -1 :               0.00000167468885
                   +0 :               0.00002157836173
                   +1 :               0.00000385527464
                3d
                   -2 :               0.00000388645737
                   -1 :               0.00000457319947
                   +0 :               0.00001454154020
                   +1 :              -0.00000989925759
                   +2 :              -0.00000100379462
             12 vec=    15.770130     -3.115418      4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00004254921918
                2s
                   +0 :               0.00029680478669
                3s
                   +0 :              -0.00009110642424
                2p
                   -1 :              -0.00008150136135
                   +0 :              -0.00015796185720
                   +1 :               0.00015796065345
                3p
                   -1 :               0.00003131199778
                   +0 :               0.00021378118405
                   +1 :              -0.00000298029895
                3d
                   -2 :              -0.00000682043710
                   -1 :              -0.00001240621873
                   +0 :              -0.00000656899967
                   +1 :               0.00001193479135
                   +2 :              -0.00000185435789
             13 vec=   -15.350520      5.868340      4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00002853019140
                2s
                   +0 :              -0.00019974723196
                3s
                   +0 :               0.00007051892089
                2p
                   -1 :               0.00001689273106
                   +0 :              -0.00005012031436
                   +1 :               0.00016675839321
                3p
                   -1 :              -0.00003875005392
                   +0 :               0.00001244316699
                   +1 :              -0.00009521571521
                3d
                   -2 :               0.00000887046482
                   -1 :              -0.00000168625765
                   +0 :              -0.00000810851300
                   +1 :              -0.00000362631362
                   +2 :              -0.00000328078415
             14 vec=    15.770130      5.868340      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00002520878577
                2s
                   +0 :               0.00016974295560
                3s
                   +0 :              -0.00005836233782
                2p
                   -1 :              -0.00008618394707
                   +0 :               0.00000254067728
                   +1 :              -0.00000526088030
                3p
                   -1 :               0.00008778634994
                   +0 :               0.00003032971979
                   +1 :               0.00007108167074
                3d
                   -2 :              -0.00000079174391
                   -1 :               0.00000100910424
                   +0 :               0.00000390659310
                   +1 :               0.00000139743986
                   +2 :               0.00001185763095
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 27)  npairs=  14
              1 vec=     2.593388      1.013068      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00175763240164
                2s
                   +0 :               0.04914830176778
                3s
                   +0 :              -0.00373803327835
                2p
                   -1 :               0.00626103693405
                   +0 :               0.03272874858925
                   +1 :               0.00873148494625
                3p
                   -1 :               0.00237630918004
                   +0 :              -0.00408653774595
                   +1 :              -0.00357032430119
                3d
                   -2 :               0.00081639157093
                   -1 :               0.00124314984395
                   +0 :               0.00180581121002
                   +1 :              -0.00006125582302
                   +2 :              -0.00010577000957
              2 vec=    -5.186775     -3.478811      4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00009671350841
                2s
                   +0 :              -0.00097778479027
                3s
                   +0 :               0.00048071326481
                2p
                   -1 :               0.00025846166351
                   +0 :               0.00245663213448
                   +1 :               0.00468547374643
                3p
                   -1 :               0.00110020905802
                   +0 :              -0.00349532524749
                   +1 :              -0.00298283378987
                3d
                   -2 :               0.00027888148533
                   -1 :              -0.00023466408365
                   +0 :              -0.00035255287102
                   +1 :              -0.00020717134547
                   +2 :               0.00010553658822
              3 vec=    -5.186775      5.504947      4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00002298266586
                2s
                   +0 :               0.00056319103776
                3s
                   +0 :              -0.00054422780528
                2p
                   -1 :              -0.00104306976489
                   +0 :               0.00434324712183
                   +1 :               0.00014139233152
                3p
                   -1 :               0.00016703589040
                   +0 :              -0.00317544745259
                   +1 :               0.00023236861732
                3d
                   -2 :               0.00001968527467
                   -1 :              -0.00015698632869
                   +0 :              -0.00006458230214
                   +1 :               0.00010683460248
                   +2 :              -0.00002394824407
              4 vec=     2.593388     -7.970690      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00045845505492
                2s
                   +0 :               0.00268555062182
                3s
                   +0 :              -0.00121827171082
                2p
                   -1 :              -0.00232842090277
                   +0 :               0.00080696193157
                   +1 :              -0.00116188211504
                3p
                   -1 :               0.00197910481472
                   +0 :               0.00047524531886
                   +1 :               0.00090626334885
                3d
                   -2 :               0.00002795548866
                   -1 :              -0.00001173017774
                   +0 :               0.00015585397685
                   +1 :              -0.00005205549851
                   +2 :               0.00020708314983
              5 vec=     2.593388      9.996826      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00013555914827
                2s
                   +0 :              -0.00069132204905
                3s
                   +0 :               0.00049953264429
                2p
                   -1 :              -0.00107465209194
                   +0 :               0.00020581015940
                   +1 :              -0.00049522650478
                3p
                   -1 :               0.00121872348659
                   +0 :               0.00006659834821
                   +1 :               0.00024615629951
                3d
                   -2 :               0.00002764705392
                   -1 :              -0.00001193541798
                   +0 :              -0.00010104806781
                   +1 :              -0.00001715795046
                   +2 :              -0.00009947097520
              6 vec=    10.373550     -3.478811      4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00007362375315
                2s
                   +0 :              -0.00011766975628
                3s
                   +0 :               0.00017872180204
                2p
                   -1 :               0.00072077082307
                   +0 :              -0.00035056147851
                   +1 :              -0.00001870093265
                3p
                   -1 :              -0.00086596149834
                   +0 :               0.00031089901010
                   +1 :               0.00020456399185
                3d
                   -2 :              -0.00005940602772
                   -1 :               0.00006241782638
                   +0 :              -0.00010044862191
                   +1 :               0.00000635739878
                   +2 :               0.00008608289449
              7 vec=    10.373550      5.504947      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001994424520
                2s
                   +0 :               0.00051106920172
                3s
                   +0 :              -0.00004639036114
                2p
                   -1 :               0.00073123196800
                   +0 :               0.00041406130805
                   +1 :               0.00064940425771
                3p
                   -1 :              -0.00062133997921
                   +0 :              -0.00048627996707
                   +1 :              -0.00044697840238
                3d
                   -2 :              -0.00001600430545
                   -1 :              -0.00003736877826
                   +0 :              -0.00001654063538
                   +1 :              -0.00007577825670
                   +2 :               0.00001718430598
              8 vec=   -12.966938      1.013068      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00000258710591
                2s
                   +0 :              -0.00048859442046
                3s
                   +0 :              -0.00014051877204
                2p
                   -1 :               0.00003452037472
                   +0 :              -0.00049682729063
                   +1 :              -0.00002291319057
                3p
                   -1 :              -0.00019321002302
                   +0 :              -0.00004476014729
                   +1 :               0.00026253424512
                3d
                   -2 :               0.00000960708896
                   -1 :              -0.00002207141493
                   +0 :              -0.00000036322180
                   +1 :               0.00001989690286
                   +2 :              -0.00002027974581
              9 vec=    -5.186775    -12.462569      4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00001883466390
                2s
                   +0 :              -0.00019762003488
                3s
                   +0 :               0.00005409012296
                2p
                   -1 :               0.00030767777955
                   +0 :              -0.00018831982424
                   +1 :              -0.00014496742888
                3p
                   -1 :              -0.00025968495046
                   +0 :               0.00007336044769
                   +1 :               0.00003639805502
                3d
                   -2 :               0.00002086324932
                   -1 :              -0.00001264599439
                   +0 :              -0.00001011442739
                   +1 :               0.00000307450126
                   +2 :              -0.00002331943780
             10 vec=   -12.966938     -7.970690      4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000054005599
                2s
                   +0 :              -0.00002878356340
                3s
                   +0 :              -0.00002147878035
                2p
                   -1 :              -0.00002861905674
                   +0 :              -0.00001169974072
                   +1 :               0.00008645286172
                3p
                   -1 :               0.00006142800613
                   +0 :              -0.00004412706446
                   +1 :              -0.00005932785940
                3d
                   -2 :              -0.00000884707263
                   -1 :               0.00000170282473
                   +0 :              -0.00000252934825
                   +1 :              -0.00000759797498
                   +2 :               0.00000264268488
             11 vec=    -5.186775     14.488705      4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00002660468181
                2s
                   +0 :              -0.00022252957290
                3s
                   +0 :               0.00009150772836
                2p
                   -1 :              -0.00030530207956
                   +0 :               0.00007109736959
                   +1 :              -0.00000166473891
                3p
                   -1 :               0.00018422625554
                   +0 :              -0.00005276396750
                   +1 :               0.00000719020504
                3d
                   -2 :               0.00000456187063
                   -1 :              -0.00001074237695
                   +0 :               0.00000771799846
                   +1 :               0.00000507157558
                   +2 :              -0.00001236937875
             12 vec=    10.373550    -12.462569      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00000029474193
                2s
                   +0 :               0.00001718550947
                3s
                   +0 :               0.00000566373514
                2p
                   -1 :              -0.00033035461186
                   +0 :               0.00006612706711
                   +1 :              -0.00004704903884
                3p
                   -1 :               0.00027678628581
                   +0 :              -0.00003081698886
                   +1 :               0.00004063889926
                3d
                   -2 :               0.00001398100445
                   -1 :               0.00000760794962
                   +0 :               0.00000768039777
                   +1 :              -0.00000185654861
                   +2 :               0.00001050185354
             13 vec=   -12.966938      9.996826      4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00002617630241
                2s
                   +0 :              -0.00019303105246
                3s
                   +0 :               0.00007811290918
                2p
                   -1 :              -0.00022712641157
                   +0 :              -0.00003547793115
                   +1 :               0.00004874571600
                3p
                   -1 :               0.00016309008739
                   +0 :               0.00001199640559
                   +1 :              -0.00000077128931
                3d
                   -2 :              -0.00000222626255
                   -1 :              -0.00000097048683
                   +0 :              -0.00000196938417
                   +1 :               0.00000011573691
                   +2 :              -0.00001018122465
             14 vec=     2.593388    -16.954448      4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00000621502148
                2s
                   +0 :              -0.00005216934288
                3s
                   +0 :               0.00002210509625
                2p
                   -1 :               0.00010929698012
                   +0 :              -0.00003661009493
                   +1 :               0.00004686995423
                3p
                   -1 :              -0.00009487202313
                   +0 :               0.00002127594961
                   +1 :              -0.00005056450724
                3d
                   -2 :               0.00000595358036
                   -1 :              -0.00000003505314
                   +0 :              -0.00000497787867
                   +1 :               0.00000067535659
                   +2 :              -0.00000960701297
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 28)  npairs=  14
              1 vec=     0.209286     -0.362794     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00033355314293
                2s
                   +0 :              -0.00205808130010
                3s
                   +0 :               0.00082339142975
                2p
                   -1 :              -0.00087761229337
                   +0 :               0.00050120902312
                   +1 :              -0.00095011998723
                3p
                   -1 :               0.00078355789435
                   +0 :               0.00015909049305
                   +1 :              -0.00053258307888
                3d
                   -2 :              -0.00001186736046
                   -1 :              -0.00002092593418
                   +0 :              -0.00027229319781
                   +1 :               0.00009536019984
                   +2 :               0.00009497274805
              2 vec=     0.209286      8.620964     -8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00001326610399
                2s
                   +0 :               0.00010307832094
                3s
                   +0 :              -0.00001027123778
                2p
                   -1 :               0.00044875143909
                   +0 :              -0.00018766164257
                   +1 :              -0.00048317708223
                3p
                   -1 :              -0.00024805735361
                   +0 :               0.00015324374854
                   +1 :               0.00014266444438
                3d
                   -2 :              -0.00005510159807
                   -1 :               0.00000302450414
                   +0 :              -0.00000397391457
                   +1 :               0.00002023168500
                   +2 :               0.00000781029186
              3 vec=    -7.570876      4.129085     -8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00000268327567
                2s
                   +0 :              -0.00060233878766
                3s
                   +0 :              -0.00010077450849
                2p
                   -1 :               0.00052864538580
                   +0 :               0.00046795032796
                   +1 :               0.00028065754205
                3p
                   -1 :              -0.00055719894030
                   +0 :               0.00015716336117
                   +1 :              -0.00011256342128
                3d
                   -2 :               0.00000556428874
                   -1 :               0.00001030745176
                   +0 :              -0.00001152860238
                   +1 :              -0.00001098176092
                   +2 :               0.00004841843911
              4 vec=     7.989449      4.129085     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00012230649068
                2s
                   +0 :               0.00129126597043
                3s
                   +0 :              -0.00036716673088
                2p
                   -1 :              -0.00017059847993
                   +0 :              -0.00056303977790
                   +1 :               0.00101631101834
                3p
                   -1 :               0.00041371366432
                   +0 :               0.00008272515974
                   +1 :              -0.00055840983331
                3d
                   -2 :              -0.00000261827729
                   -1 :               0.00000226868423
                   +0 :               0.00003829739961
                   +1 :               0.00003407233401
                   +2 :              -0.00007874632519
              5 vec=    -7.570876     -4.854673     -8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00021886402205
                2s
                   +0 :               0.00107034082351
                3s
                   +0 :              -0.00072501826652
                2p
                   -1 :               0.00128614761387
                   +0 :              -0.00052750748322
                   +1 :              -0.00143847819528
                3p
                   -1 :              -0.00089822623521
                   +0 :               0.00049109757488
                   +1 :               0.00126009016327
                3d
                   -2 :               0.00001950832126
                   -1 :               0.00004981521712
                   +0 :              -0.00005216922576
                   +1 :              -0.00014010045282
                   +2 :              -0.00006069925370
              6 vec=     7.989449     -4.854673     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00004342304515
                2s
                   +0 :              -0.00005726504232
                3s
                   +0 :               0.00014234614894
                2p
                   -1 :              -0.00060957833043
                   +0 :              -0.00069032585211
                   +1 :               0.00097432927583
                3p
                   -1 :               0.00032985158519
                   +0 :               0.00052038671764
                   +1 :              -0.00077665179433
                3d
                   -2 :               0.00000841236493
                   -1 :              -0.00001360757187
                   +0 :              -0.00000767736228
                   +1 :               0.00004363707144
                   +2 :              -0.00003553027698
              7 vec=     0.209286     -9.346552     -8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00003302379721
                2s
                   +0 :               0.00017606492688
                3s
                   +0 :              -0.00006003815496
                2p
                   -1 :              -0.00044373923340
                   +0 :               0.00029146907278
                   +1 :              -0.00053917895168
                3p
                   -1 :               0.00029987597525
                   +0 :              -0.00035855695748
                   +1 :               0.00026222094922
                3d
                   -2 :              -0.00002204729056
                   -1 :               0.00002593812386
                   +0 :              -0.00000330364561
                   +1 :               0.00003282720556
                   +2 :               0.00000577115554
              8 vec=     0.209286     -0.362794     16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000667960169
                2s
                   +0 :              -0.00002553246033
                3s
                   +0 :               0.00002708706325
                2p
                   -1 :              -0.00007268434500
                   +0 :               0.00002636112327
                   +1 :              -0.00000122390451
                3p
                   -1 :               0.00005600449910
                   +0 :               0.00000385063749
                   +1 :              -0.00003936597534
                3d
                   -2 :              -0.00000224779968
                   -1 :               0.00000825064152
                   +0 :              -0.00000272096441
                   +1 :              -0.00000546749750
                   +2 :              -0.00000256909963
              9 vec=    -7.570876     13.112843     -8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00002639197904
                2s
                   +0 :              -0.00021718241186
                3s
                   +0 :               0.00007493580240
                2p
                   -1 :              -0.00010360288960
                   +0 :               0.00006557232864
                   +1 :               0.00001130316323
                3p
                   -1 :               0.00000152100337
                   +0 :              -0.00004007247503
                   +1 :              -0.00000009358036
                3d
                   -2 :               0.00000576148899
                   -1 :               0.00000421938699
                   +0 :               0.00000160695828
                   +1 :               0.00000169895059
                   +2 :               0.00000821905122
             10 vec=     7.989449     13.112843     -8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00000363770085
                2s
                   +0 :               0.00007372163987
                3s
                   +0 :               0.00000141304538
                2p
                   -1 :               0.00004231775408
                   +0 :              -0.00007460118938
                   +1 :               0.00004032161105
                3p
                   -1 :               0.00002691984091
                   +0 :               0.00000961375724
                   +1 :              -0.00003345619350
                3d
                   -2 :               0.00000533240627
                   -1 :              -0.00000261668126
                   +0 :              -0.00000128469714
                   +1 :               0.00000243880415
                   +2 :              -0.00000669731936
             11 vec=   -15.351039     -0.362794     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00002940939306
                2s
                   +0 :              -0.00022117512148
                3s
                   +0 :               0.00007890477798
                2p
                   -1 :              -0.00014233730143
                   +0 :               0.00004193253139
                   +1 :               0.00026383778480
                3p
                   -1 :               0.00014753638650
                   +0 :               0.00000379505288
                   +1 :              -0.00014780448870
                3d
                   -2 :              -0.00001413430349
                   -1 :              -0.00001048425371
                   +0 :               0.00000398940535
                   +1 :              -0.00000941219087
                   +2 :              -0.00000347255944
             12 vec=    15.769612     -0.362794     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00001030212545
                2s
                   +0 :               0.00008855340422
                3s
                   +0 :               0.00000236492037
                2p
                   -1 :              -0.00004684110986
                   +0 :              -0.00005494718089
                   +1 :               0.00005749863821
                3p
                   -1 :              -0.00000184798856
                   +0 :              -0.00001597686147
                   +1 :              -0.00000360675066
                3d
                   -2 :              -0.00000312791737
                   -1 :               0.00000257616291
                   +0 :               0.00000201656487
                   +1 :              -0.00000325641038
                   +2 :               0.00000244045163
             13 vec=    -7.570876    -13.838431     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000125386863
                2s
                   +0 :               0.00001159034787
                3s
                   +0 :              -0.00000852813568
                2p
                   -1 :               0.00000275442478
                   +0 :              -0.00010683575659
                   +1 :              -0.00003264581846
                3p
                   -1 :               0.00000161810880
                   +0 :               0.00008866122337
                   +1 :               0.00001681482154
                3d
                   -2 :              -0.00000561074223
                   -1 :              -0.00000293460309
                   +0 :              -0.00000403021157
                   +1 :              -0.00000156099268
                   +2 :              -0.00000310764344
             14 vec=     7.989449    -13.838431     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000602171751
                2s
                   +0 :               0.00004781468583
                3s
                   +0 :              -0.00001605091565
                2p
                   -1 :              -0.00001983254619
                   +0 :               0.00001365214921
                   +1 :               0.00000843913256
                3p
                   -1 :               0.00000543079028
                   +0 :              -0.00001726448335
                   +1 :               0.00000148679813
                3d
                   -2 :              -0.00000146802366
                   -1 :              -0.00000399379564
                   +0 :               0.00000342271226
                   +1 :              -0.00000067580653
                   +2 :               0.00000226196774
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 29)  npairs=  15
              1 vec=    -2.802674      4.129085     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00016536898665
                2s
                   +0 :              -0.00181477352949
                3s
                   +0 :              -0.00001747418585
                2p
                   -1 :              -0.00299877485947
                   +0 :               0.00201855803234
                   +1 :              -0.00103436079060
                3p
                   -1 :               0.00065678067086
                   +0 :               0.00056699061623
                   +1 :               0.00080534960510
                3d
                   -2 :               0.00006407537775
                   -1 :               0.00007788922871
                   +0 :              -0.00002748974981
                   +1 :              -0.00008508763847
                   +2 :               0.00012054842829
              2 vec=     4.977489     -0.362794     -8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00014023816961
                2s
                   +0 :               0.00194927647445
                3s
                   +0 :              -0.00007599182680
                2p
                   -1 :              -0.00316338752879
                   +0 :              -0.00261205871517
                   +1 :               0.00019337983921
                3p
                   -1 :               0.00098371681127
                   +0 :               0.00046229562052
                   +1 :               0.00047397139417
                3d
                   -2 :               0.00006746668649
                   -1 :               0.00010594016656
                   +0 :              -0.00010078217887
                   +1 :              -0.00007849521481
                   +2 :              -0.00000489224752
              3 vec=    -2.802674     -4.854673     -8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00005454609112
                2s
                   +0 :               0.00091369973083
                3s
                   +0 :              -0.00017188997077
                2p
                   -1 :              -0.00103865734540
                   +0 :              -0.00143373688622
                   +1 :               0.00095800673331
                3p
                   -1 :               0.00079216956852
                   +0 :               0.00099312949438
                   +1 :              -0.00097625088457
                3d
                   -2 :               0.00000065751595
                   -1 :               0.00000901825784
                   +0 :               0.00012481301425
                   +1 :               0.00002357467396
                   +2 :              -0.00005959562472
              4 vec=     4.977489      8.620964     -8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00006334349705
                2s
                   +0 :               0.00055844440069
                3s
                   +0 :              -0.00018962950823
                2p
                   -1 :               0.00026703725078
                   +0 :              -0.00001426391437
                   +1 :               0.00073035484870
                3p
                   -1 :              -0.00015862198960
                   +0 :               0.00011011046299
                   +1 :              -0.00055290129974
                3d
                   -2 :               0.00000587477421
                   -1 :               0.00001091908448
                   +0 :              -0.00002362172642
                   +1 :               0.00004150143665
                   +2 :              -0.00001439017455
              5 vec=   -10.582837     -0.362794     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00000988122845
                2s
                   +0 :              -0.00039869483879
                3s
                   +0 :              -0.00000886286216
                2p
                   -1 :              -0.00002754532835
                   +0 :              -0.00030288020843
                   +1 :               0.00003564520532
                3p
                   -1 :               0.00012132981503
                   +0 :               0.00031738002892
                   +1 :               0.00025229841405
                3d
                   -2 :              -0.00003612810612
                   -1 :               0.00001418631452
                   +0 :               0.00001124498828
                   +1 :               0.00000203881783
                   +2 :              -0.00000441575281
              6 vec=     4.977489     -9.346552     -8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00002307728660
                2s
                   +0 :               0.00032995507434
                3s
                   +0 :              -0.00012658966050
                2p
                   -1 :               0.00005339688235
                   +0 :              -0.00026717193438
                   +1 :               0.00016101503300
                3p
                   -1 :              -0.00006251016666
                   +0 :               0.00005091854181
                   +1 :              -0.00011695284701
                3d
                   -2 :               0.00000319644462
                   -1 :              -0.00001554493978
                   +0 :               0.00000441212776
                   +1 :               0.00001611858273
                   +2 :               0.00004353392734
              7 vec=    -2.802674     13.112843     -8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00001597860638
                2s
                   +0 :              -0.00010670702484
                3s
                   +0 :               0.00005200808567
                2p
                   -1 :              -0.00012348291450
                   +0 :               0.00012658616313
                   +1 :              -0.00021935483580
                3p
                   -1 :               0.00008214914264
                   +0 :              -0.00006167176848
                   +1 :               0.00013970101949
                3d
                   -2 :              -0.00000110383523
                   -1 :              -0.00000099333016
                   +0 :               0.00001025843918
                   +1 :              -0.00000976345435
                   +2 :               0.00000160168530
              8 vec=    12.757651      4.129085     -8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00000476789429
                2s
                   +0 :               0.00009302584501
                3s
                   +0 :               0.00001708813292
                2p
                   -1 :               0.00003012104749
                   +0 :              -0.00022621588065
                   +1 :               0.00019264798439
                3p
                   -1 :               0.00001902390821
                   +0 :               0.00012021844466
                   +1 :              -0.00011792524236
                3d
                   -2 :              -0.00000094375998
                   -1 :              -0.00001106146802
                   +0 :              -0.00000862446420
                   +1 :               0.00001121597157
                   +2 :               0.00000016025119
              9 vec=   -10.582837      8.620964     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00002081045043
                2s
                   +0 :               0.00011113668641
                3s
                   +0 :              -0.00008321508639
                2p
                   -1 :               0.00009167520615
                   +0 :              -0.00000648240169
                   +1 :               0.00009614981653
                3p
                   -1 :              -0.00006702727945
                   +0 :               0.00001493039415
                   +1 :              -0.00006054932552
                3d
                   -2 :              -0.00001453588304
                   -1 :               0.00001207238748
                   +0 :              -0.00000884432144
                   +1 :               0.00000896888004
                   +2 :               0.00000413650731
             10 vec=    12.757651     -4.854673     -8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00006721331133
                2s
                   +0 :              -0.00042912872716
                3s
                   +0 :               0.00023868232954
                2p
                   -1 :               0.00003504904046
                   +0 :               0.00002325390886
                   +1 :              -0.00022736223217
                3p
                   -1 :              -0.00001937354930
                   +0 :              -0.00003470444307
                   +1 :               0.00021299545502
                3d
                   -2 :               0.00000908218586
                   -1 :               0.00000858477018
                   +0 :               0.00000114211358
                   +1 :               0.00000617393852
                   +2 :               0.00001550855775
             11 vec=   -10.582837     -9.346552     -8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00004827904068
                2s
                   +0 :               0.00023157058572
                3s
                   +0 :              -0.00016564653311
                2p
                   -1 :              -0.00017118359468
                   +0 :              -0.00009927309305
                   +1 :               0.00015095001749
                3p
                   -1 :               0.00019176212804
                   +0 :               0.00011402413338
                   +1 :              -0.00009586401409
                3d
                   -2 :              -0.00000084735349
                   -1 :              -0.00001346886380
                   +0 :              -0.00000391030600
                   +1 :              -0.00000083483285
                   +2 :               0.00000180405075
             12 vec=    -2.802674    -13.838431     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00002369539226
                2s
                   +0 :              -0.00015526921005
                3s
                   +0 :               0.00007103764795
                2p
                   -1 :               0.00018294361902
                   +0 :               0.00000927317638
                   +1 :               0.00008426853975
                3p
                   -1 :              -0.00014014885018
                   +0 :               0.00001891380580
                   +1 :              -0.00009629846649
                3d
                   -2 :               0.00000792965042
                   -1 :               0.00000410725531
                   +0 :              -0.00001630996113
                   +1 :               0.00000705974303
                   +2 :              -0.00000727009998
             13 vec=    -2.802674      4.129085     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00000665353975
                2s
                   +0 :               0.00005764759597
                3s
                   +0 :              -0.00002342803745
                2p
                   -1 :               0.00002852714749
                   +0 :               0.00008375411060
                   +1 :              -0.00006743097866
                3p
                   -1 :              -0.00002383582816
                   +0 :              -0.00004421014533
                   +1 :               0.00003069468968
                3d
                   -2 :               0.00000500303006
                   -1 :              -0.00000174165372
                   +0 :              -0.00000082217124
                   +1 :              -0.00000037923810
                   +2 :              -0.00000155768921
             14 vec=     4.977489     -0.362794     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00001085459718
                2s
                   +0 :               0.00009754766341
                3s
                   +0 :              -0.00002353035140
                2p
                   -1 :              -0.00007461955629
                   +0 :               0.00004499476961
                   +1 :              -0.00001469786497
                3p
                   -1 :               0.00006334072739
                   +0 :              -0.00000078982021
                   +1 :               0.00000479015291
                3d
                   -2 :               0.00000157777215
                   -1 :               0.00000155896895
                   +0 :              -0.00000353872803
                   +1 :              -0.00000208567829
                   +2 :              -0.00000245483493
             15 vec=    -2.802674     -4.854673     16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00000375422222
                2s
                   +0 :              -0.00005851519803
                3s
                   +0 :              -0.00000191692070
                2p
                   -1 :               0.00005505323685
                   +0 :               0.00000083732449
                   +1 :              -0.00014013352252
                3p
                   -1 :              -0.00002553997071
                   +0 :              -0.00006810478519
                   +1 :               0.00007507859468
                3d
                   -2 :               0.00000404279464
                   -1 :               0.00000058051554
                   +0 :              -0.00001021319869
                   +1 :               0.00000175503988
                   +2 :               0.00000362821176
WF             site_B          number of pairs
WF( 23)=[O_6_2px]  to site O ( 30)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00032796711890
                2s
                   +0 :               0.00309834579112
                3s
                   +0 :              -0.00057359824098
                2p
                   -1 :               0.00303808821512
                   +0 :              -0.00264246733584
                   +1 :              -0.00254378627587
                3p
                   -1 :              -0.00096981284384
                   +0 :               0.00079255133943
                   +1 :               0.00141624507624
                3d
                   -2 :              -0.00009126285528
                   -1 :              -0.00003583137233
                   +0 :               0.00004479454805
                   +1 :              -0.00006175948686
                   +2 :              -0.00000829942293
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00005413012834
                2s
                   +0 :              -0.00100278351783
                3s
                   +0 :              -0.00027837472160
                2p
                   -1 :               0.00113830804484
                   +0 :               0.00306134830395
                   +1 :               0.00186461854853
                3p
                   -1 :              -0.00002913335111
                   +0 :              -0.00055435123613
                   +1 :              -0.00025156750879
                3d
                   -2 :              -0.00000857120191
                   -1 :              -0.00012030566493
                   +0 :              -0.00001173080914
                   +1 :              -0.00012089473493
                   +2 :              -0.00004135238347
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00021972057017
                2s
                   +0 :              -0.00157363714242
                3s
                   +0 :               0.00059131140203
                2p
                   -1 :               0.00350929991609
                   +0 :               0.00067303054586
                   +1 :              -0.00146681131537
                3p
                   -1 :              -0.00242257541673
                   +0 :               0.00042167300496
                   +1 :               0.00065851094491
                3d
                   -2 :              -0.00003705744266
                   -1 :               0.00009687289462
                   +0 :              -0.00010848661554
                   +1 :              -0.00000072301243
                   +2 :              -0.00016335600791
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00004777339024
                2s
                   +0 :              -0.00052806697943
                3s
                   +0 :               0.00002930665154
                2p
                   -1 :              -0.00028811299132
                   +0 :              -0.00006403948631
                   +1 :               0.00027309445910
                3p
                   -1 :              -0.00002691621779
                   +0 :               0.00005827053617
                   +1 :              -0.00021994210500
                3d
                   -2 :               0.00002799060516
                   -1 :               0.00002606609013
                   +0 :              -0.00002816849311
                   +1 :              -0.00001336258026
                   +2 :               0.00002703231715
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000324745101
                2s
                   +0 :               0.00017097056275
                3s
                   +0 :               0.00000089385619
                2p
                   -1 :               0.00021267339252
                   +0 :               0.00026889014872
                   +1 :               0.00011692836255
                3p
                   -1 :              -0.00018610456540
                   +0 :              -0.00024750421968
                   +1 :              -0.00011407974226
                3d
                   -2 :              -0.00000463990936
                   -1 :               0.00001652301029
                   +0 :               0.00002916195323
                   +1 :              -0.00000643494826
                   +2 :              -0.00002123409789
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00000219632599
                2s
                   +0 :              -0.00021523365224
                3s
                   +0 :               0.00000420511016
                2p
                   -1 :              -0.00017202323987
                   +0 :               0.00025889267773
                   +1 :               0.00044861787491
                3p
                   -1 :               0.00012375161943
                   +0 :              -0.00008444170883
                   +1 :              -0.00033347717984
                3d
                   -2 :               0.00003255388786
                   -1 :              -0.00000170772737
                   +0 :               0.00004624202640
                   +1 :               0.00001259764917
                   +2 :               0.00001466056336
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00002507483268
                2s
                   +0 :               0.00014992274515
                3s
                   +0 :              -0.00007243764271
                2p
                   -1 :              -0.00007837733075
                   +0 :              -0.00012916380834
                   +1 :              -0.00012337287736
                3p
                   -1 :               0.00008764166875
                   +0 :               0.00007202357918
                   +1 :               0.00011114610830
                3d
                   -2 :               0.00000695219156
                   -1 :               0.00000496585854
                   +0 :              -0.00000529242719
                   +1 :              -0.00000992215815
                   +2 :              -0.00000363607662
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001529754067
                2s
                   +0 :               0.00014156404563
                3s
                   +0 :              -0.00002806483076
                2p
                   -1 :               0.00023433446421
                   +0 :              -0.00017375084628
                   +1 :               0.00001069171899
                3p
                   -1 :              -0.00018030100250
                   +0 :               0.00010805826879
                   +1 :               0.00003214199279
                3d
                   -2 :              -0.00000063395136
                   -1 :               0.00000042364612
                   +0 :               0.00000254579931
                   +1 :              -0.00000461238918
                   +2 :               0.00000812455299
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002827337270
                2s
                   +0 :              -0.00019086624849
                3s
                   +0 :               0.00003657421276
                2p
                   -1 :              -0.00031196269473
                   +0 :               0.00008225312095
                   +1 :               0.00012111591841
                3p
                   -1 :               0.00020623685617
                   +0 :              -0.00001363312315
                   +1 :              -0.00006534529394
                3d
                   -2 :              -0.00000745196780
                   -1 :              -0.00000792741120
                   +0 :              -0.00000501634233
                   +1 :               0.00000110749332
                   +2 :              -0.00000000971914
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00004563567452
                2s
                   +0 :              -0.00029379512935
                3s
                   +0 :               0.00013562604233
                2p
                   -1 :               0.00015487472084
                   +0 :               0.00013105492008
                   +1 :               0.00011952909190
                3p
                   -1 :              -0.00010320177107
                   +0 :              -0.00009234179799
                   +1 :              -0.00006256786134
                3d
                   -2 :              -0.00000782651607
                   -1 :               0.00000490044028
                   +0 :               0.00000040622940
                   +1 :               0.00000377615511
                   +2 :               0.00001996737001
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000541333289
                2s
                   +0 :               0.00001206345796
                3s
                   +0 :               0.00003717424367
                2p
                   -1 :               0.00018798173428
                   +0 :              -0.00013267851957
                   +1 :              -0.00000964540641
                3p
                   -1 :              -0.00021135383421
                   +0 :               0.00008102040808
                   +1 :               0.00005689203150
                3d
                   -2 :              -0.00000279580192
                   -1 :              -0.00001133426115
                   +0 :              -0.00000879652430
                   +1 :              -0.00000234802924
                   +2 :              -0.00001716216514
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000203500245
                2s
                   +0 :               0.00005137153580
                3s
                   +0 :              -0.00000926528902
                2p
                   -1 :              -0.00005362598921
                   +0 :               0.00003199699297
                   +1 :              -0.00005665003889
                3p
                   -1 :               0.00004139092780
                   +0 :              -0.00007877545542
                   +1 :               0.00005486384834
                3d
                   -2 :              -0.00000905412426
                   -1 :               0.00000940751405
                   +0 :               0.00000643301902
                   +1 :              -0.00000716118019
                   +2 :               0.00001183734290
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001500285764
                2s
                   +0 :              -0.00011221104303
                3s
                   +0 :               0.00005143404537
                2p
                   -1 :               0.00011896879525
                   +0 :              -0.00006638353233
                   +1 :              -0.00006212124230
                3p
                   -1 :              -0.00007621652153
                   +0 :               0.00002885890319
                   +1 :               0.00000484952659
                3d
                   -2 :               0.00000359121257
                   -1 :              -0.00000284825348
                   +0 :              -0.00000577365470
                   +1 :              -0.00000558171840
                   +2 :              -0.00000474560675
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00000926811928
                2s
                   +0 :              -0.00007972037589
                3s
                   +0 :               0.00002273300098
                2p
                   -1 :               0.00001173528538
                   +0 :              -0.00005771767485
                   +1 :              -0.00001661070992
                3p
                   -1 :              -0.00001896647777
                   +0 :               0.00003491952683
                   +1 :               0.00000658994347
                3d
                   -2 :               0.00000272694128
                   -1 :              -0.00000337111738
                   +0 :               0.00000130826845
                   +1 :               0.00000149372179
                   +2 :              -0.00000281682890
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000980636737
                2s
                   +0 :              -0.00001299689042
                3s
                   +0 :               0.00004814112784
                2p
                   -1 :              -0.00002894070907
                   +0 :               0.00000180605173
                   +1 :              -0.00007831350250
                3p
                   -1 :               0.00001224778545
                   +0 :               0.00006494421208
                   +1 :               0.00003565634898
                3d
                   -2 :              -0.00000005396685
                   -1 :              -0.00000202730397
                   +0 :               0.00000400241364
                   +1 :              -0.00000197930375
                   +2 :              -0.00000478203781
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al(  1)  npairs=  14
              1 vec=     0.209286     -3.115418     -5.671791   |vec|=    6.474477
                2s
                   +0 :               0.00241258372145
                2p
                   -1 :              -0.00073075328192
                   +0 :              -0.00184673871339
                   +1 :               0.00034969919822
                3s
                   +0 :              -0.00647796634429
                4s
                   +0 :               0.00420202616349
                3p
                   -1 :               0.00296305459415
                   +0 :               0.01291060992154
                   +1 :              -0.00127590078057
                4p
                   -1 :              -0.00078814989809
                   +0 :              -0.00550098426433
                   +1 :               0.00013868196662
                3d
                   -2 :               0.00043843375417
                   -1 :              -0.00170772817966
                   +0 :              -0.00342878876511
                   +1 :              -0.00034350843605
                   +2 :               0.00175687063111
              2 vec=     0.209286      5.868340     -5.671791   |vec|=    8.163972
                2s
                   +0 :               0.00032303288739
                2p
                   -1 :               0.00008200350906
                   +0 :               0.00055453212357
                   +1 :              -0.00015315920904
                3s
                   +0 :               0.00494580279104
                4s
                   +0 :               0.00023287528381
                3p
                   -1 :               0.00339944043661
                   +0 :              -0.00084027285136
                   +1 :               0.00028352033124
                4p
                   -1 :               0.00039119952889
                   +0 :               0.00062921677316
                   +1 :               0.00005078165048
                3d
                   -2 :              -0.00049375183080
                   -1 :               0.00047378044952
                   +0 :              -0.00187127896344
                   +1 :               0.00001091372542
                   +2 :              -0.00179175926185
              3 vec=    -7.570876      1.376461     -5.671791   |vec|=    9.559395
                2s
                   +0 :              -0.00042334877058
                2p
                   -1 :               0.00003220631928
                   +0 :               0.00023460238140
                   +1 :               0.00085216525005
                3s
                   +0 :               0.00205996434369
                4s
                   +0 :              -0.00091855623530
                3p
                   -1 :               0.00115258576765
                   +0 :              -0.00085871853548
                   +1 :              -0.00468391585029
                4p
                   -1 :              -0.00061975857045
                   +0 :               0.00017268708149
                   +1 :               0.00129660405302
                3d
                   -2 :              -0.00001667331371
                   -1 :              -0.00029018497119
                   +0 :              -0.00011969918979
                   +1 :               0.00063746115650
                   +2 :               0.00065012228206
              4 vec=     7.989449      1.376461     -5.671791   |vec|=    9.894198
                2s
                   +0 :               0.00012651626872
                2p
                   -1 :              -0.00064522486482
                   +0 :               0.00042563331039
                   +1 :              -0.00002576256965
                3s
                   +0 :              -0.00007366466949
                4s
                   +0 :              -0.00022772662440
                3p
                   -1 :               0.00301322110936
                   +0 :              -0.00232767806321
                   +1 :               0.00059443023050
                4p
                   -1 :              -0.00060520184507
                   +0 :               0.00082820359086
                   +1 :              -0.00053795618622
                3d
                   -2 :               0.00025078409931
                   -1 :              -0.00012508030447
                   +0 :               0.00029743058940
                   +1 :              -0.00061879220593
                   +2 :               0.00018631074776
              5 vec=    -7.570876     -7.607297     -5.671791   |vec|=   12.139125
                2s
                   +0 :              -0.00024525089618
                2p
                   -1 :               0.00001264160504
                   +0 :               0.00003714158940
                   +1 :               0.00021081116555
                3s
                   +0 :               0.00048510386332
                4s
                   +0 :              -0.00016274296190
                3p
                   -1 :               0.00019442347106
                   +0 :              -0.00027340805966
                   +1 :              -0.00082328112124
                4p
                   -1 :              -0.00013915419388
                   +0 :               0.00013312167704
                   +1 :               0.00020877438940
                3d
                   -2 :              -0.00001627483346
                   -1 :              -0.00003220428180
                   +0 :               0.00000961799792
                   +1 :               0.00019682262604
                   +2 :               0.00014407053730
              6 vec=     7.989449     -7.607297     -5.671791   |vec|=   12.404494
                2s
                   +0 :              -0.00000410105415
                2p
                   -1 :               0.00011533499941
                   +0 :              -0.00001351358334
                   +1 :               0.00010107890972
                3s
                   +0 :              -0.00045140322257
                4s
                   +0 :              -0.00011567993972
                3p
                   -1 :              -0.00039012663018
                   +0 :              -0.00000656315846
                   +1 :              -0.00095904714672
                4p
                   -1 :               0.00020874389869
                   +0 :               0.00004147402800
                   +1 :               0.00008360950103
                3d
                   -2 :               0.00022743480127
                   -1 :               0.00005214484028
                   +0 :               0.00009115512593
                   +1 :               0.00008193284662
                   +2 :              -0.00017799388118
              7 vec=     0.209286    -12.099176     -5.671791   |vec|=   13.364246
                2s
                   +0 :              -0.00019350625573
                2p
                   -1 :               0.00002952926739
                   +0 :              -0.00001812262500
                   +1 :              -0.00004389081021
                3s
                   +0 :               0.00067357692246
                4s
                   +0 :              -0.00023654243530
                3p
                   -1 :              -0.00031805089246
                   +0 :               0.00004289373833
                   +1 :               0.00022995046964
                4p
                   -1 :               0.00014117037150
                   +0 :              -0.00004919421100
                   +1 :              -0.00004466921100
                3d
                   -2 :              -0.00000531943428
                   -1 :              -0.00002912313419
                   +0 :              -0.00005362494005
                   +1 :               0.00011948586652
                   +2 :               0.00008596420921
              8 vec=    -7.570876     10.360219     -5.671791   |vec|=   14.029310
                2s
                   +0 :               0.00001231642508
                2p
                   -1 :               0.00004142371733
                   +0 :              -0.00000644576626
                   +1 :              -0.00010407717776
                3s
                   +0 :               0.00025216492114
                4s
                   +0 :              -0.00008416793992
                3p
                   -1 :               0.00007002208296
                   +0 :              -0.00000485969498
                   +1 :               0.00053319656585
                4p
                   -1 :              -0.00002171493672
                   +0 :               0.00002119519818
                   +1 :              -0.00012735471531
                3d
                   -2 :               0.00009436651528
                   -1 :               0.00004784455225
                   +0 :               0.00000214181519
                   +1 :              -0.00015869564257
                   +2 :              -0.00006210764056
              9 vec=     7.989449     10.360219     -5.671791   |vec|=   14.259546
                2s
                   +0 :              -0.00003707322160
                2p
                   -1 :               0.00007504906384
                   +0 :              -0.00005524715526
                   +1 :               0.00004992370392
                3s
                   +0 :               0.00019020900461
                4s
                   +0 :              -0.00007321477911
                3p
                   -1 :              -0.00042455193983
                   +0 :               0.00022100122149
                   +1 :              -0.00018816807461
                4p
                   -1 :               0.00009266564097
                   +0 :              -0.00000667644358
                   +1 :               0.00001419694248
                3d
                   -2 :              -0.00012784230853
                   -1 :               0.00005466994386
                   +0 :               0.00007334710900
                   +1 :               0.00017129975425
                   +2 :               0.00012003446412
             10 vec=     0.209286     14.852098     -5.671791   |vec|=   15.899618
                2s
                   +0 :               0.00017911602691
                2p
                   -1 :               0.00014455088881
                   +0 :              -0.00000304863408
                   +1 :              -0.00001319913283
                3s
                   +0 :              -0.00054476477551
                4s
                   +0 :               0.00018594408673
                3p
                   -1 :              -0.00071844819029
                   +0 :              -0.00011712717943
                   +1 :               0.00007167353681
                4p
                   -1 :               0.00016612080535
                   +0 :               0.00007812834578
                   +1 :              -0.00002898648778
                3d
                   -2 :               0.00003163599599
                   -1 :               0.00005001544587
                   +0 :               0.00007892378641
                   +1 :               0.00000007142709
                   +2 :               0.00014411662062
             11 vec=   -15.351039     -3.115418     -5.671791   |vec|=   16.659215
                2s
                   +0 :              -0.00000791623746
                2p
                   -1 :              -0.00002231596066
                   +0 :              -0.00003854584754
                   +1 :              -0.00003121132698
                3s
                   +0 :              -0.00004019136600
                4s
                   +0 :              -0.00002035746331
                3p
                   -1 :               0.00015969092871
                   +0 :               0.00021057352236
                   +1 :               0.00018034081787
                4p
                   -1 :              -0.00004268505713
                   +0 :              -0.00003692685627
                   +1 :              -0.00002257264277
                3d
                   -2 :              -0.00005291643398
                   -1 :              -0.00001834462300
                   +0 :               0.00001249536460
                   +1 :              -0.00006189955447
                   +2 :              -0.00004142198046
             12 vec=    15.769612     -3.115418     -5.671791   |vec|=   17.045694
                2s
                   +0 :               0.00002918495279
                2p
                   -1 :               0.00001802745799
                   +0 :              -0.00001624227434
                   +1 :               0.00002947184740
                3s
                   +0 :              -0.00019717421710
                4s
                   +0 :               0.00004005699148
                3p
                   -1 :              -0.00008391853673
                   +0 :               0.00012591223778
                   +1 :              -0.00020295778495
                4p
                   -1 :               0.00004343781130
                   +0 :              -0.00002589064020
                   +1 :               0.00004846455166
                3d
                   -2 :               0.00003618691912
                   -1 :              -0.00001809853238
                   +0 :              -0.00001429519266
                   +1 :               0.00005299899202
                   +2 :              -0.00001755899261
             13 vec=   -15.351039      5.868340     -5.671791   |vec|=   17.385656
                2s
                   +0 :               0.00000241467848
                2p
                   -1 :              -0.00001685030013
                   +0 :               0.00001156530466
                   +1 :               0.00000162249391
                3s
                   +0 :               0.00008337483986
                4s
                   +0 :              -0.00005219691139
                3p
                   -1 :               0.00009895257570
                   +0 :              -0.00006882454040
                   +1 :              -0.00005420176806
                4p
                   -1 :              -0.00004753287838
                   +0 :               0.00002148448782
                   +1 :               0.00002546675340
                3d
                   -2 :              -0.00000798261854
                   -1 :              -0.00000188557156
                   +0 :               0.00001074345238
                   +1 :               0.00000933230125
                   +2 :              -0.00000821751865
             14 vec=    15.769612      5.868340     -5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00000053506201
                2p
                   -1 :              -0.00001441738317
                   +0 :               0.00001013912891
                   +1 :               0.00000589514640
                3s
                   +0 :               0.00008993655150
                4s
                   +0 :              -0.00004139800236
                3p
                   -1 :               0.00004180752244
                   +0 :              -0.00002577581932
                   +1 :               0.00006182053808
                4p
                   -1 :              -0.00000047732354
                   +0 :              -0.00000588933866
                   +1 :              -0.00003332569556
                3d
                   -2 :              -0.00000802499400
                   -1 :              -0.00001729750203
                   +0 :              -0.00001448015574
                   +1 :               0.00000517695739
                   +2 :               0.00000033837281
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al(  2)  npairs=  14
              1 vec=     0.209286     -3.115418      1.580534   |vec|=    3.499674
                2s
                   +0 :              -0.04517244551923
                2p
                   -1 :               0.04242188647045
                   +0 :              -0.02830424684662
                   +1 :              -0.00171948531140
                3s
                   +0 :              -0.10319188819595
                4s
                   +0 :              -0.01670534640573
                3p
                   -1 :               0.06526392869627
                   +0 :              -0.05256131762181
                   +1 :              -0.01999353722898
                4p
                   -1 :               0.02373120450515
                   +0 :              -0.01319690868973
                   +1 :               0.00312120032181
                3d
                   -2 :               0.00784827343856
                   -1 :               0.05893675948604
                   +0 :              -0.00456994458733
                   +1 :              -0.00448664668169
                   +2 :               0.03681483322646
              2 vec=     0.209286      5.868340      1.580534   |vec|=    6.081062
                2s
                   +0 :              -0.00442664024831
                2p
                   -1 :              -0.00338401315684
                   +0 :              -0.00145625894051
                   +1 :               0.00034617583485
                3s
                   +0 :               0.00605537323679
                4s
                   +0 :              -0.00622851965979
                3p
                   -1 :               0.01054942080298
                   +0 :               0.00703428957622
                   +1 :              -0.00422982048893
                4p
                   -1 :              -0.00417386092693
                   +0 :              -0.00252339642206
                   +1 :               0.00121464214533
                3d
                   -2 :              -0.00190547574808
                   -1 :               0.00284112977749
                   +0 :              -0.00308308875965
                   +1 :              -0.00014569509147
                   +2 :              -0.00435714616892
              3 vec=    -7.570876      1.376461      1.580534   |vec|=    7.855629
                2s
                   +0 :              -0.00026047312218
                2p
                   -1 :               0.00027658796421
                   +0 :               0.00069848538980
                   +1 :               0.00024991656426
                3s
                   +0 :              -0.00191984595734
                4s
                   +0 :               0.00001164031113
                3p
                   -1 :              -0.00059876331321
                   +0 :              -0.00402241345285
                   +1 :               0.00234062351521
                4p
                   -1 :              -0.00007235983744
                   +0 :               0.00066957641926
                   +1 :               0.00013075540814
                3d
                   -2 :               0.00012012066052
                   -1 :              -0.00034590004422
                   +0 :               0.00013738513237
                   +1 :               0.00199710518965
                   +2 :              -0.00091420503917
              4 vec=     7.989449      1.376461      1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00037858193040
                2p
                   -1 :              -0.00049288273391
                   +0 :              -0.00046990788839
                   +1 :               0.00006851267173
                3s
                   +0 :               0.00024874083033
                4s
                   +0 :              -0.00076148167821
                3p
                   -1 :               0.00219118099528
                   +0 :               0.00192603829713
                   +1 :              -0.00194089432103
                4p
                   -1 :              -0.00085962733694
                   +0 :              -0.00065585323747
                   +1 :              -0.00014771774731
                3d
                   -2 :              -0.00010072668270
                   -1 :               0.00043208111189
                   +0 :               0.00028956856219
                   +1 :              -0.00071775712475
                   +2 :              -0.00122451718902
              5 vec=    -7.570876     -7.607297      1.580534   |vec|=   10.848374
                2s
                   +0 :               0.00045265406136
                2p
                   -1 :              -0.00051598636445
                   +0 :              -0.00021768900339
                   +1 :              -0.00012528427149
                3s
                   +0 :              -0.00116673982019
                4s
                   +0 :               0.00027894572308
                3p
                   -1 :               0.00177101670790
                   +0 :               0.00059269189980
                   +1 :               0.00078010996461
                4p
                   -1 :              -0.00045405737106
                   +0 :              -0.00002500780413
                   +1 :               0.00000731816237
                3d
                   -2 :              -0.00078898335859
                   -1 :              -0.00005651792841
                   +0 :               0.00019087138128
                   +1 :               0.00022658630274
                   +2 :               0.00062656051882
              6 vec=     7.989449     -7.607297      1.580534   |vec|=   11.144521
                2s
                   +0 :              -0.00010551238238
                2p
                   -1 :               0.00010325391705
                   +0 :               0.00017510693132
                   +1 :               0.00019979365705
                3s
                   +0 :              -0.00010082776287
                4s
                   +0 :               0.00070614211484
                3p
                   -1 :              -0.00043612080755
                   +0 :              -0.00088618636100
                   +1 :              -0.00178451580144
                4p
                   -1 :              -0.00012307001541
                   +0 :               0.00021584579714
                   +1 :               0.00059564458769
                3d
                   -2 :              -0.00003494580227
                   -1 :               0.00002561414042
                   +0 :               0.00029917449657
                   +1 :              -0.00060219387301
                   +2 :              -0.00099322202542
              7 vec=     0.209286    -12.099176      1.580534   |vec|=   12.203767
                2s
                   +0 :               0.00013051602330
                2p
                   -1 :              -0.00008232718925
                   +0 :               0.00003046809032
                   +1 :               0.00013896635737
                3s
                   +0 :              -0.00082219792571
                4s
                   +0 :              -0.00000637060593
                3p
                   -1 :               0.00083808132669
                   +0 :              -0.00051856996079
                   +1 :              -0.00068118879086
                4p
                   -1 :              -0.00013885253603
                   +0 :              -0.00001484364736
                   +1 :               0.00032036678156
                3d
                   -2 :               0.00007110369473
                   -1 :               0.00008153177236
                   +0 :               0.00011629573808
                   +1 :               0.00009394825138
                   +2 :               0.00014741779270
              8 vec=    -7.570876     10.360219      1.580534   |vec|=   12.928666
                2s
                   +0 :              -0.00006860999728
                2p
                   -1 :               0.00005118237829
                   +0 :               0.00018767346062
                   +1 :              -0.00016495591618
                3s
                   +0 :               0.00196824672631
                4s
                   +0 :              -0.00023452192527
                3p
                   -1 :              -0.00038079924102
                   +0 :               0.00046422653156
                   +1 :              -0.00078406835864
                4p
                   -1 :               0.00000733173935
                   +0 :               0.00009819142836
                   +1 :              -0.00009245890323
                3d
                   -2 :               0.00022704507431
                   -1 :              -0.00008804283186
                   +0 :               0.00025322368814
                   +1 :              -0.00053176854381
                   +2 :               0.00045147558369
              9 vec=     7.989449     10.360219      1.580534   |vec|=   13.178146
                2s
                   +0 :               0.00007321061049
                2p
                   -1 :              -0.00002991882204
                   +0 :              -0.00003280056662
                   +1 :               0.00012529802375
                3s
                   +0 :               0.00168890005118
                4s
                   +0 :               0.00000816387104
                3p
                   -1 :               0.00048401893465
                   +0 :               0.00162900974324
                   +1 :               0.00084342543362
                4p
                   -1 :              -0.00000955035977
                   +0 :              -0.00020123357765
                   +1 :               0.00009406776384
                3d
                   -2 :               0.00021459850136
                   -1 :               0.00033088446037
                   +0 :               0.00015295011966
                   +1 :               0.00060316794997
                   +2 :               0.00024882356450
             10 vec=     0.209286     14.852098      1.580534   |vec|=   14.937427
                2s
                   +0 :              -0.00020442112961
                2p
                   -1 :              -0.00002989601650
                   +0 :               0.00002600753959
                   +1 :               0.00001553762498
                3s
                   +0 :               0.00108210100825
                4s
                   +0 :              -0.00025992196509
                3p
                   -1 :               0.00027765310772
                   +0 :               0.00008061347931
                   +1 :               0.00001472968938
                4p
                   -1 :              -0.00006206050430
                   +0 :               0.00004730268104
                   +1 :              -0.00001276204856
                3d
                   -2 :               0.00002609371635
                   -1 :              -0.00001115430868
                   +0 :               0.00004762494318
                   +1 :              -0.00001006884743
                   +2 :               0.00002195690184
             11 vec=   -15.351039     -3.115418      1.580534   |vec|=   15.743516
                2s
                   +0 :              -0.00001462564991
                2p
                   -1 :              -0.00003323020398
                   +0 :              -0.00001576203198
                   +1 :               0.00003314614082
                3s
                   +0 :               0.00001453589279
                4s
                   +0 :              -0.00001626138033
                3p
                   -1 :               0.00012070632530
                   +0 :               0.00007404848694
                   +1 :              -0.00008616017839
                4p
                   -1 :              -0.00002027587820
                   +0 :              -0.00001820876852
                   +1 :               0.00000705310356
                3d
                   -2 :              -0.00000649102410
                   -1 :              -0.00002315919061
                   +0 :              -0.00000789360831
                   +1 :              -0.00005359672519
                   +2 :               0.00000476521791
             12 vec=    15.769612     -3.115418      1.580534   |vec|=   16.151921
                2s
                   +0 :               0.00005085633919
                2p
                   -1 :               0.00001062592604
                   +0 :              -0.00000505430798
                   +1 :               0.00001375970517
                3s
                   +0 :              -0.00031364447564
                4s
                   +0 :               0.00009041033831
                3p
                   -1 :              -0.00013755097503
                   +0 :              -0.00005582664708
                   +1 :              -0.00013423346187
                4p
                   -1 :               0.00001124792677
                   +0 :               0.00001794238623
                   +1 :               0.00005089294211
                3d
                   -2 :              -0.00004284077172
                   -1 :              -0.00005248436973
                   +0 :              -0.00002786291434
                   +1 :              -0.00000415068977
                   +2 :               0.00001904347599
             13 vec=   -15.351039      5.868340      1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00006230504033
                2p
                   -1 :              -0.00002921137469
                   +0 :               0.00000106553187
                   +1 :              -0.00000263973142
                3s
                   +0 :               0.00042376081927
                4s
                   +0 :              -0.00006476821893
                3p
                   -1 :               0.00021600051368
                   +0 :               0.00012237308292
                   +1 :              -0.00010946774499
                4p
                   -1 :              -0.00001552629581
                   +0 :               0.00000628456278
                   +1 :               0.00001204865951
                3d
                   -2 :              -0.00002939249511
                   -1 :               0.00008330433724
                   +0 :               0.00001543047848
                   +1 :              -0.00004958031694
                   +2 :              -0.00001044270069
             14 vec=    15.769612      5.868340      1.580534   |vec|=   16.900182
                2s
                   +0 :              -0.00000848296785
                2p
                   -1 :              -0.00002305174580
                   +0 :               0.00000141951389
                   +1 :               0.00002015347826
                3s
                   +0 :               0.00011684660610
                4s
                   +0 :              -0.00003908617734
                3p
                   -1 :               0.00017730609704
                   +0 :               0.00006125719549
                   +1 :              -0.00007512735569
                4p
                   -1 :              -0.00003790302867
                   +0 :              -0.00001290234425
                   +1 :               0.00001115370749
                3d
                   -2 :               0.00001395314609
                   -1 :               0.00004537167300
                   +0 :               0.00000349754835
                   +1 :               0.00000655828460
                   +2 :              -0.00004793202288
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Cr(  3)  npairs=  15
              1 vec=     0.209286     -3.115418    -10.693237   |vec|=   11.139791
                3s
                   +0 :               0.00078687226223
                3p
                   -1 :               0.00008910380638
                   +0 :              -0.00007620569299
                   +1 :              -0.00020937438454
                4s
                   +0 :              -0.00122845092262
                5s
                   +0 :              -0.00002580487267
                3d
                   -2 :               0.00001735334409
                   -1 :              -0.00086950212800
                   +0 :              -0.00066838257570
                   +1 :               0.00024742110744
                   +2 :               0.00030170249985
                4d
                   -2 :               0.00016660778831
                   -1 :              -0.00020215153383
                   +0 :               0.00056035674898
                   +1 :              -0.00030675332061
                   +2 :               0.00007990927438
                4p
                   -1 :               0.00036163725295
                   +0 :               0.00008554972933
                   +1 :               0.00040966029251
              2 vec=     0.209286      5.868340    -10.693237   |vec|=   12.199448
                3s
                   +0 :              -0.00010441818382
                3p
                   -1 :              -0.00004773297735
                   +0 :               0.00007608016650
                   +1 :               0.00009787857923
                4s
                   +0 :              -0.00017432431034
                5s
                   +0 :               0.00004865438638
                3d
                   -2 :               0.00011123182068
                   -1 :              -0.00020731807812
                   +0 :               0.00064950428341
                   +1 :              -0.00023903450772
                   +2 :              -0.00024451024039
                4d
                   -2 :              -0.00005096539987
                   -1 :               0.00002863664348
                   +0 :               0.00002411383619
                   +1 :               0.00017547924703
                   +2 :              -0.00012734617932
                4p
                   -1 :               0.00003135799649
                   +0 :              -0.00017392953338
                   +1 :              -0.00008317978937
              3 vec=    -7.570876      1.376461    -10.693237   |vec|=   13.174146
                3s
                   +0 :               0.00042818615571
                3p
                   -1 :               0.00003922610241
                   +0 :              -0.00030015618349
                   +1 :              -0.00047493255561
                4s
                   +0 :              -0.00014827590810
                5s
                   +0 :              -0.00000328486093
                3d
                   -2 :              -0.00027977847938
                   -1 :              -0.00019845116430
                   +0 :               0.00012944226743
                   +1 :               0.00092384681942
                   +2 :               0.00034370888019
                4d
                   -2 :              -0.00012581038097
                   -1 :              -0.00015509540535
                   +0 :              -0.00003950198052
                   +1 :              -0.00017100809447
                   +2 :              -0.00007581991674
                4p
                   -1 :               0.00014965524004
                   +0 :               0.00009445090140
                   +1 :               0.00049022737338
              4 vec=     7.989449      1.376461    -10.693237   |vec|=   13.419063
                3s
                   +0 :              -0.00001644265910
                3p
                   -1 :               0.00025354741006
                   +0 :              -0.00011824741247
                   +1 :               0.00018287509669
                4s
                   +0 :               0.00047917114014
                5s
                   +0 :              -0.00001365275973
                3d
                   -2 :               0.00022927591859
                   -1 :              -0.00047982540338
                   +0 :               0.00011607990609
                   +1 :              -0.00049638235958
                   +2 :               0.00018077288178
                4d
                   -2 :               0.00005472620945
                   -1 :               0.00019630907592
                   +0 :              -0.00015571086951
                   +1 :              -0.00006573795029
                   +2 :               0.00007969021902
                4p
                   -1 :              -0.00033716762076
                   +0 :              -0.00006390109966
                   +1 :               0.00001907909603
              5 vec=     0.209286     -3.115418     13.854306   |vec|=   14.201810
                3s
                   +0 :               0.00020789194991
                3p
                   -1 :              -0.00007253636335
                   +0 :               0.00003558269370
                   +1 :               0.00000655142643
                4s
                   +0 :              -0.00026262347546
                5s
                   +0 :              -0.00000384669110
                3d
                   -2 :              -0.00004543803719
                   -1 :               0.00002215142899
                   +0 :              -0.00015212405503
                   +1 :               0.00000007906993
                   +2 :              -0.00001117755679
                4d
                   -2 :               0.00002347725991
                   -1 :              -0.00002774761472
                   +0 :               0.00003698184286
                   +1 :              -0.00002309176810
                   +2 :               0.00000529235390
                4p
                   -1 :               0.00012477455204
                   +0 :              -0.00005063389776
                   +1 :              -0.00001245758219
              6 vec=     0.209286      5.868340     13.854306   |vec|=   15.047359
                3s
                   +0 :              -0.00004819406355
                3p
                   -1 :              -0.00000674571519
                   +0 :               0.00001013381902
                   +1 :               0.00001218889533
                4s
                   +0 :               0.00011359849727
                5s
                   +0 :               0.00001089224671
                3d
                   -2 :              -0.00000482246030
                   -1 :               0.00013246939613
                   +0 :               0.00006321019265
                   +1 :               0.00001390648492
                   +2 :              -0.00010257900410
                4d
                   -2 :               0.00003804859804
                   -1 :              -0.00000831309310
                   +0 :              -0.00000826442030
                   +1 :               0.00000268728964
                   +2 :              -0.00002971438108
                4p
                   -1 :               0.00011906645710
                   +0 :               0.00001403715869
                   +1 :               0.00000924112854
              7 vec=    -7.570876     -7.607297    -10.693237   |vec|=   15.150394
                3s
                   +0 :               0.00005720974139
                3p
                   -1 :              -0.00003086032907
                   +0 :              -0.00007157693479
                   +1 :               0.00000637221053
                4s
                   +0 :              -0.00024155087115
                5s
                   +0 :               0.00007788166397
                3d
                   -2 :              -0.00004474662157
                   -1 :               0.00005735446235
                   +0 :              -0.00003620215521
                   +1 :              -0.00002088283395
                   +2 :              -0.00003922257878
                4d
                   -2 :              -0.00006935302376
                   -1 :              -0.00010976642277
                   +0 :              -0.00004783736168
                   +1 :              -0.00011322812354
                   +2 :              -0.00000020162773
                4p
                   -1 :               0.00008168703018
                   +0 :               0.00022118620433
                   +1 :               0.00009582446129
              8 vec=     7.989449     -7.607297    -10.693237   |vec|=   15.363840
                3s
                   +0 :              -0.00011366867897
                3p
                   -1 :               0.00004979971353
                   +0 :               0.00003587723876
                   +1 :              -0.00003794923298
                4s
                   +0 :               0.00017088000758
                5s
                   +0 :               0.00003372054255
                3d
                   -2 :               0.00011001643242
                   -1 :              -0.00007433930489
                   +0 :              -0.00015070699928
                   +1 :              -0.00002695933015
                   +2 :               0.00001096673626
                4d
                   -2 :               0.00003964064234
                   -1 :              -0.00002880267147
                   +0 :               0.00005164628988
                   +1 :               0.00001378590638
                   +2 :              -0.00001853627130
                4p
                   -1 :              -0.00005795433635
                   +0 :              -0.00003534878756
                   +1 :              -0.00000266296443
              9 vec=    -7.570876      1.376461     13.854306   |vec|=   15.847858
                3s
                   +0 :              -0.00009131543349
                3p
                   -1 :              -0.00000719622062
                   +0 :              -0.00006528304877
                   +1 :               0.00005276670737
                4s
                   +0 :               0.00015218532065
                5s
                   +0 :              -0.00004298104960
                3d
                   -2 :              -0.00004320177003
                   -1 :               0.00009085362695
                   +0 :               0.00008451075890
                   +1 :               0.00015772970614
                   +2 :              -0.00027078433315
                4d
                   -2 :              -0.00005532521466
                   -1 :               0.00004436877100
                   +0 :               0.00009244696381
                   +1 :              -0.00003702190355
                   +2 :              -0.00002068598792
                4p
                   -1 :               0.00008896166891
                   +0 :               0.00014120641991
                   +1 :               0.00001904141196
             10 vec=     7.989449      1.376461     13.854306   |vec|=   16.052032
                3s
                   +0 :              -0.00015073601873
                3p
                   -1 :              -0.00001428840951
                   +0 :              -0.00007400497446
                   +1 :              -0.00010438536054
                4s
                   +0 :               0.00013997551331
                5s
                   +0 :              -0.00000974831272
                3d
                   -2 :               0.00038452962975
                   -1 :               0.00022808522026
                   +0 :               0.00017551744357
                   +1 :              -0.00027419277349
                   +2 :              -0.00022293152913
                4d
                   -2 :              -0.00002746511761
                   -1 :              -0.00002818629981
                   +0 :               0.00004357285864
                   +1 :               0.00006427975794
                   +2 :               0.00000771470322
                4p
                   -1 :               0.00014560608958
                   +0 :               0.00011107596389
                   +1 :               0.00001749855278
             11 vec=     0.209286    -12.099176    -10.693237   |vec|=   16.148658
                3s
                   +0 :               0.00035060309195
                3p
                   -1 :              -0.00016625450146
                   +0 :              -0.00015815341132
                   +1 :               0.00004051149784
                4s
                   +0 :              -0.00061966240505
                5s
                   +0 :               0.00005609076703
                3d
                   -2 :              -0.00001831524809
                   -1 :               0.00043155582430
                   +0 :               0.00005554022896
                   +1 :              -0.00000982605235
                   +2 :              -0.00026390330012
                4d
                   -2 :               0.00004390021932
                   -1 :              -0.00019137968962
                   +0 :              -0.00003440060751
                   +1 :              -0.00000451953270
                   +2 :               0.00006448336408
                4p
                   -1 :               0.00030074188875
                   +0 :               0.00027539410702
                   +1 :              -0.00008173803450
             12 vec=    -7.570876     10.360219    -10.693237   |vec|=   16.703222
                3s
                   +0 :               0.00001371288801
                3p
                   -1 :               0.00001272852560
                   +0 :               0.00002369924773
                   +1 :              -0.00000201720118
                4s
                   +0 :              -0.00009649089577
                5s
                   +0 :              -0.00000744881727
                3d
                   -2 :               0.00011567661487
                   -1 :               0.00012435807052
                   +0 :              -0.00004666636460
                   +1 :              -0.00023085526867
                   +2 :              -0.00007945267986
                4d
                   -2 :               0.00003651056600
                   -1 :               0.00001087417111
                   +0 :               0.00001275425812
                   +1 :               0.00001383578556
                   +2 :              -0.00002770652461
                4p
                   -1 :              -0.00001667711127
                   +0 :               0.00000322753484
                   +1 :               0.00001324738524
             13 vec=     7.989449     10.360219    -10.693237   |vec|=   16.897064
                3s
                   +0 :               0.00014554100955
                3p
                   -1 :               0.00004222970401
                   +0 :              -0.00006477722905
                   +1 :               0.00007529095656
                4s
                   +0 :              -0.00029276560465
                5s
                   +0 :               0.00000630463553
                3d
                   -2 :              -0.00003417187955
                   -1 :               0.00005656694026
                   +0 :              -0.00005384151824
                   +1 :               0.00011034652014
                   +2 :              -0.00005480769777
                4d
                   -2 :              -0.00004975104895
                   -1 :               0.00003098572376
                   +0 :              -0.00002361493272
                   +1 :               0.00005919313021
                   +2 :              -0.00001654495685
                4p
                   -1 :              -0.00005815199755
                   +0 :               0.00015426616023
                   +1 :              -0.00012296847458
             14 vec=    -7.570876     -7.607297     13.854306   |vec|=   17.525151
                3s
                   +0 :              -0.00009270286766
                3p
                   -1 :               0.00002118028845
                   +0 :              -0.00000831689786
                   +1 :               0.00004919519369
                4s
                   +0 :               0.00021602985337
                5s
                   +0 :              -0.00000639853728
                3d
                   -2 :               0.00008664574843
                   -1 :              -0.00000576747335
                   +0 :              -0.00001868363348
                   +1 :              -0.00002529354778
                   +2 :              -0.00001187739569
                4d
                   -2 :              -0.00000351104672
                   -1 :              -0.00001988519309
                   +0 :              -0.00002399833229
                   +1 :              -0.00002733474897
                   +2 :               0.00006220982000
                4p
                   -1 :              -0.00005439477004
                   +0 :               0.00001843110634
                   +1 :              -0.00014155887235
             15 vec=     7.989449     -7.607297     13.854306   |vec|=   17.709998
                3s
                   +0 :               0.00015944201595
                3p
                   -1 :              -0.00005600696773
                   +0 :               0.00003069246541
                   +1 :               0.00010631915900
                4s
                   +0 :              -0.00026441812510
                5s
                   +0 :               0.00001419905492
                3d
                   -2 :              -0.00013740492111
                   -1 :              -0.00004156620882
                   +0 :              -0.00004552906632
                   +1 :               0.00009581486261
                   +2 :              -0.00001506665830
                4d
                   -2 :               0.00006760916884
                   -1 :               0.00001402021679
                   +0 :               0.00002372249972
                   +1 :              -0.00005922317039
                   +2 :              -0.00000502060525
                4p
                   -1 :               0.00008568211670
                   +0 :              -0.00004910974058
                   +1 :              -0.00017563093051
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al(  4)  npairs=  13
              1 vec=     0.209286     -3.115418      6.601980   |vec|=    7.303134
                2s
                   +0 :               0.00137468008397
                2p
                   -1 :              -0.00025865930249
                   +0 :               0.00123241610511
                   +1 :              -0.00001303175904
                3s
                   +0 :              -0.00467517221979
                4s
                   +0 :               0.00251182346255
                3p
                   -1 :               0.00234323134233
                   +0 :              -0.00132385188579
                   +1 :               0.00039051718103
                4p
                   -1 :              -0.00105641270646
                   +0 :               0.00134545978375
                   +1 :              -0.00035198064077
                3d
                   -2 :               0.00085358018364
                   -1 :              -0.00133152599197
                   +0 :               0.00109790195140
                   +1 :              -0.00022737819284
                   +2 :              -0.00015020129567
              2 vec=     0.209286      5.868340      6.601980   |vec|=    8.835573
                2s
                   +0 :              -0.00180848890945
                2p
                   -1 :               0.00003040772435
                   +0 :              -0.00033946603816
                   +1 :               0.00000568444419
                3s
                   +0 :               0.01724969265353
                4s
                   +0 :              -0.00217041318954
                3p
                   -1 :               0.00672161303441
                   +0 :               0.00917439778566
                   +1 :               0.00025903167414
                4p
                   -1 :               0.00043683468553
                   +0 :              -0.00061406242992
                   +1 :               0.00001101932552
                3d
                   -2 :              -0.00046013769256
                   -1 :               0.00303919141019
                   +0 :               0.00078904915170
                   +1 :               0.00003551863445
                   +2 :              -0.00218284441716
              3 vec=    -7.570876      1.376461      6.601980   |vec|=   10.138982
                2s
                   +0 :              -0.00133709789071
                2p
                   -1 :              -0.00026381651484
                   +0 :              -0.00045517748093
                   +1 :               0.00076890577812
                3s
                   +0 :               0.00597417537322
                4s
                   +0 :              -0.00266141720371
                3p
                   -1 :               0.00141325754377
                   +0 :               0.00351832260145
                   +1 :              -0.00457099337689
                4p
                   -1 :              -0.00046095178184
                   +0 :              -0.00105029065800
                   +1 :               0.00153880877968
                3d
                   -2 :              -0.00030549110761
                   -1 :               0.00033031590471
                   +0 :              -0.00022184316929
                   +1 :              -0.00085617174637
                   +2 :               0.00075673469996
              4 vec=     7.989449      1.376461      6.601980   |vec|=   10.455242
                2s
                   +0 :              -0.00039980699414
                2p
                   -1 :               0.00004365408881
                   +0 :               0.00002017355663
                   +1 :              -0.00033815265839
                3s
                   +0 :               0.00179539111706
                4s
                   +0 :              -0.00075156027902
                3p
                   -1 :              -0.00023631213169
                   +0 :               0.00076664589035
                   +1 :               0.00214538284827
                4p
                   -1 :              -0.00002758049589
                   +0 :              -0.00022037487792
                   +1 :              -0.00067026867658
                3d
                   -2 :              -0.00000843899324
                   -1 :              -0.00047839155916
                   +0 :              -0.00029712124010
                   +1 :               0.00052923842367
                   +2 :               0.00034512810397
              5 vec=    -7.570876     -7.607297      6.601980   |vec|=   12.600606
                2s
                   +0 :               0.00001528370991
                2p
                   -1 :               0.00017032338458
                   +0 :               0.00009851968682
                   +1 :               0.00011970391574
                3s
                   +0 :              -0.00111083998235
                4s
                   +0 :               0.00039513770447
                3p
                   -1 :              -0.00067988448427
                   +0 :              -0.00107353946651
                   +1 :               0.00000277714911
                4p
                   -1 :               0.00025203152693
                   +0 :               0.00021920569478
                   +1 :               0.00002516518840
                3d
                   -2 :              -0.00002667630046
                   -1 :               0.00009275520564
                   +0 :              -0.00017792382381
                   +1 :               0.00015735200021
                   +2 :              -0.00000669291310
              6 vec=     7.989449     -7.607297      6.601980   |vec|=   12.856453
                2s
                   +0 :               0.00022525104112
                2p
                   -1 :               0.00001636715898
                   +0 :              -0.00009973497651
                   +1 :              -0.00006476812837
                3s
                   +0 :              -0.00156824977435
                4s
                   +0 :               0.00019558077110
                3p
                   -1 :               0.00024625777547
                   +0 :              -0.00021916098744
                   +1 :              -0.00014748817712
                4p
                   -1 :              -0.00002314047106
                   +0 :              -0.00000257059453
                   +1 :              -0.00013556189461
                3d
                   -2 :               0.00023595884686
                   -1 :               0.00002115312561
                   +0 :               0.00010872790364
                   +1 :              -0.00004987864687
                   +2 :              -0.00005176388916
              7 vec=     0.209286    -12.099176      6.601980   |vec|=   13.784774
                2s
                   +0 :               0.00004106835054
                2p
                   -1 :              -0.00013099009139
                   +0 :              -0.00003256421961
                   +1 :               0.00020290870742
                3s
                   +0 :              -0.00078710027666
                4s
                   +0 :               0.00054809700125
                3p
                   -1 :               0.00128659165512
                   +0 :              -0.00001102415111
                   +1 :              -0.00074245120576
                4p
                   -1 :              -0.00059487389258
                   +0 :               0.00010912466050
                   +1 :               0.00011821912961
                3d
                   -2 :              -0.00010876357800
                   -1 :               0.00001708049956
                   +0 :               0.00008000663845
                   +1 :               0.00001210163879
                   +2 :               0.00015579705865
              8 vec=    -7.570876     10.360219      6.601980   |vec|=   14.430470
                2s
                   +0 :              -0.00021896922350
                2p
                   -1 :              -0.00008320582556
                   +0 :              -0.00014045082329
                   +1 :              -0.00006288390389
                3s
                   +0 :               0.00087414515646
                4s
                   +0 :              -0.00017527446877
                3p
                   -1 :               0.00035830748115
                   +0 :               0.00068797863877
                   +1 :               0.00033171891752
                4p
                   -1 :              -0.00003954308402
                   +0 :              -0.00010713039984
                   +1 :              -0.00016814768011
                3d
                   -2 :               0.00008498066933
                   -1 :               0.00013727848974
                   +0 :               0.00006715869294
                   +1 :               0.00003003079789
                   +2 :               0.00000576757382
              9 vec=     7.989449     10.360219      6.601980   |vec|=   14.654405
                2s
                   +0 :               0.00008788141599
                2p
                   -1 :               0.00006751551301
                   +0 :               0.00003250799939
                   +1 :              -0.00001020275456
                3s
                   +0 :              -0.00016489697172
                4s
                   +0 :              -0.00003335644024
                3p
                   -1 :              -0.00039819286968
                   +0 :              -0.00007912915423
                   +1 :               0.00013601642681
                4p
                   -1 :               0.00005492338100
                   +0 :              -0.00002202730833
                   +1 :              -0.00004561213545
                3d
                   -2 :               0.00001574079902
                   -1 :              -0.00008410677172
                   +0 :               0.00003037026022
                   +1 :               0.00003381355837
                   +2 :               0.00005105235853
             10 vec=     0.209286     14.852098      6.601980   |vec|=   16.254684
                2s
                   +0 :              -0.00016046482041
                2p
                   -1 :              -0.00005699429772
                   +0 :              -0.00006831701775
                   +1 :              -0.00001840330288
                3s
                   +0 :               0.00053666859962
                4s
                   +0 :              -0.00008807460630
                3p
                   -1 :               0.00020258180830
                   +0 :               0.00031761448993
                   +1 :               0.00012138913129
                4p
                   -1 :               0.00000651497514
                   +0 :              -0.00006678038239
                   +1 :              -0.00004506640395
                3d
                   -2 :               0.00003107403411
                   -1 :               0.00006445501858
                   +0 :               0.00002910921361
                   +1 :              -0.00001165424141
                   +2 :              -0.00001042659650
             11 vec=   -15.351039     -3.115418      6.601980   |vec|=   16.998422
                2s
                   +0 :               0.00002848021652
                2p
                   -1 :              -0.00002771078484
                   +0 :               0.00001754397499
                   +1 :              -0.00001948968382
                3s
                   +0 :              -0.00011624593080
                4s
                   +0 :               0.00004434656305
                3p
                   -1 :               0.00013536334846
                   +0 :              -0.00008590663386
                   +1 :               0.00010324256845
                4p
                   -1 :              -0.00003173536408
                   +0 :               0.00001307729202
                   +1 :              -0.00002863124905
                3d
                   -2 :              -0.00003372941296
                   -1 :               0.00002155276791
                   +0 :               0.00001335138150
                   +1 :               0.00000471321908
                   +2 :               0.00005216978899
             12 vec=    15.769612     -3.115418      6.601980   |vec|=   17.377359
                2s
                   +0 :               0.00005842378196
                2p
                   -1 :              -0.00000998683127
                   +0 :               0.00003540068913
                   +1 :               0.00000842472545
                3s
                   +0 :              -0.00024440439943
                4s
                   +0 :               0.00006865223893
                3p
                   -1 :               0.00004121656911
                   +0 :              -0.00020604031598
                   +1 :              -0.00004561692308
                4p
                   -1 :              -0.00001210068520
                   +0 :               0.00004990732936
                   +1 :              -0.00000277195457
                3d
                   -2 :               0.00001189530417
                   -1 :               0.00002373044919
                   +0 :              -0.00001594739227
                   +1 :              -0.00004347885193
                   +2 :               0.00002089984971
             13 vec=   -15.351039      5.868340      6.601980   |vec|=   17.710956
                2s
                   +0 :              -0.00002575641972
                2p
                   -1 :              -0.00001124689832
                   +0 :               0.00000511590436
                   +1 :               0.00000985302228
                3s
                   +0 :               0.00016020248961
                4s
                   +0 :              -0.00007286346199
                3p
                   -1 :               0.00013508823290
                   +0 :               0.00000295204665
                   +1 :              -0.00007921459966
                4p
                   -1 :              -0.00006565814452
                   +0 :              -0.00001175354564
                   +1 :               0.00002448064901
                3d
                   -2 :              -0.00001665055528
                   -1 :              -0.00001087117165
                   +0 :               0.00000390022136
                   +1 :               0.00001974089949
                   +2 :               0.00000785072500
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al(  5)  npairs=  14
              1 vec=    -2.384101      1.376461      2.510641   |vec|=    3.725842
                2s
                   +0 :               0.01400591147522
                2p
                   -1 :               0.00368489447544
                   +0 :               0.01140934042021
                   +1 :              -0.01384327510722
                3s
                   +0 :               0.03868667412703
                4s
                   +0 :               0.00708218472851
                3p
                   -1 :              -0.00719937288676
                   +0 :               0.03187038803204
                   +1 :              -0.02112405699883
                4p
                   -1 :               0.00329855181276
                   +0 :               0.00550265475174
                   +1 :              -0.00824746367013
                3d
                   -2 :              -0.00043806980577
                   -1 :              -0.00181935264260
                   +0 :               0.01069501926395
                   +1 :              -0.02868607952718
                   +2 :               0.02151063946941
              2 vec=     5.396061     -3.115418      2.510641   |vec|=    6.717635
                2s
                   +0 :               0.00415493581988
                2p
                   -1 :              -0.00040990419236
                   +0 :               0.00139833742029
                   +1 :               0.00290260493119
                3s
                   +0 :              -0.01638407648030
                4s
                   +0 :               0.00929353447350
                3p
                   -1 :               0.00055305030909
                   +0 :              -0.00725523476984
                   +1 :              -0.01200481669630
                4p
                   -1 :              -0.00100342607927
                   +0 :               0.00296591986516
                   +1 :               0.00490759723633
                3d
                   -2 :               0.00065136679534
                   -1 :              -0.00061917334855
                   +0 :              -0.00081057404613
                   +1 :              -0.00223083752447
                   +2 :               0.00064432462548
              3 vec=    -2.384101     -7.607297      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00118755207566
                2p
                   -1 :              -0.00084377972028
                   +0 :               0.00058801798003
                   +1 :               0.00054832132223
                3s
                   +0 :              -0.00673391461146
                4s
                   +0 :              -0.00103609781413
                3p
                   -1 :               0.00296304183523
                   +0 :              -0.00768625791908
                   +1 :              -0.00801528201011
                4p
                   -1 :               0.00090379342233
                   +0 :               0.00048453390601
                   +1 :               0.00254781207562
                3d
                   -2 :               0.00234868392011
                   -1 :               0.00125387482883
                   +0 :              -0.00180253520830
                   +1 :              -0.00174729989957
                   +2 :              -0.00017499118086
              4 vec=     5.396061      5.868340      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00036768634822
                2p
                   -1 :               0.00032119821700
                   +0 :              -0.00011447358935
                   +1 :               0.00053959006579
                3s
                   +0 :               0.00262286103561
                4s
                   +0 :               0.00052854395201
                3p
                   -1 :              -0.00276161180446
                   +0 :               0.00463246338346
                   +1 :              -0.00116813157212
                4p
                   -1 :               0.00047854613214
                   +0 :              -0.00015013001748
                   +1 :               0.00110460424941
                3d
                   -2 :              -0.00114309693438
                   -1 :              -0.00011201425762
                   +0 :               0.00235691540365
                   +1 :               0.00160833909353
                   +2 :               0.00033935227209
              5 vec=   -10.164264     -3.115418      2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00027185676681
                2p
                   -1 :               0.00013605077274
                   +0 :              -0.00000474246719
                   +1 :              -0.00008385624660
                3s
                   +0 :               0.00036884767292
                4s
                   +0 :              -0.00037478023182
                3p
                   -1 :              -0.00057263682032
                   +0 :              -0.00025359148028
                   +1 :               0.00096860972885
                4p
                   -1 :               0.00015514781131
                   +0 :               0.00004785160001
                   +1 :              -0.00016212843398
                3d
                   -2 :               0.00008182401920
                   -1 :               0.00021115565173
                   +0 :              -0.00001832871217
                   +1 :               0.00009486252006
                   +2 :              -0.00033021681183
              6 vec=    -2.384101     10.360219      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00067628734623
                2p
                   -1 :               0.00028148162290
                   +0 :               0.00002684907069
                   +1 :              -0.00024594736409
                3s
                   +0 :              -0.00049498665718
                4s
                   +0 :              -0.00031537350521
                3p
                   -1 :               0.00033269202164
                   +0 :              -0.00028999829649
                   +1 :               0.00108227719765
                4p
                   -1 :              -0.00043594531871
                   +0 :              -0.00000224237417
                   +1 :              -0.00011974302821
                3d
                   -2 :               0.00005597060477
                   -1 :               0.00018072429691
                   +0 :               0.00010693088365
                   +1 :               0.00025650556351
                   +2 :              -0.00022658662708
              7 vec=   -10.164264      5.868340      2.510641   |vec|=   12.002208
                2s
                   +0 :               0.00025501699787
                2p
                   -1 :               0.00002186664716
                   +0 :               0.00001976071496
                   +1 :              -0.00007075029410
                3s
                   +0 :              -0.00046788419489
                4s
                   +0 :               0.00022692347395
                3p
                   -1 :               0.00007405402030
                   +0 :               0.00021722291939
                   +1 :               0.00020708665167
                4p
                   -1 :               0.00013956009154
                   +0 :               0.00005454443519
                   +1 :              -0.00000350328467
                3d
                   -2 :              -0.00041912436522
                   -1 :               0.00016243747363
                   +0 :               0.00011949497363
                   +1 :              -0.00003599058407
                   +2 :              -0.00034393282252
              8 vec=     5.396061    -12.099176      2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00005304518900
                2p
                   -1 :               0.00019718956253
                   +0 :              -0.00024290257239
                   +1 :               0.00034843470389
                3s
                   +0 :              -0.00052656653777
                4s
                   +0 :              -0.00009136911948
                3p
                   -1 :              -0.00047390173383
                   +0 :               0.00016952830262
                   +1 :              -0.00168363995785
                4p
                   -1 :               0.00024688064912
                   +0 :              -0.00005852004265
                   +1 :               0.00049461944099
                3d
                   -2 :               0.00040616108715
                   -1 :               0.00006697775587
                   +0 :              -0.00005760908997
                   +1 :               0.00006257708326
                   +2 :              -0.00020411711854
              9 vec=    13.176224      1.376461      2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00007389707428
                2p
                   -1 :              -0.00002291025370
                   +0 :              -0.00008251553476
                   +1 :              -0.00002990478739
                3s
                   +0 :               0.00026041869972
                4s
                   +0 :              -0.00013612861793
                3p
                   -1 :               0.00005671273741
                   +0 :               0.00035099811102
                   +1 :               0.00020970151810
                4p
                   -1 :               0.00002567001623
                   +0 :              -0.00013213601966
                   +1 :              -0.00009987521953
                3d
                   -2 :               0.00004620683683
                   -1 :              -0.00003285110286
                   +0 :              -0.00000983779999
                   +1 :               0.00013650774171
                   +2 :               0.00006828271059
             10 vec=    13.176224     -7.607297      2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00004207784098
                2p
                   -1 :              -0.00000637552941
                   +0 :              -0.00002075761444
                   +1 :              -0.00002184458179
                3s
                   +0 :               0.00005063647179
                4s
                   +0 :               0.00001642677166
                3p
                   -1 :               0.00003009323933
                   +0 :               0.00012964119178
                   +1 :               0.00001577971442
                4p
                   -1 :               0.00000231612781
                   +0 :              -0.00005877169198
                   +1 :               0.00003876312005
                3d
                   -2 :               0.00001323297624
                   -1 :              -0.00000055520961
                   +0 :              -0.00002905110395
                   +1 :               0.00002137419064
                   +2 :              -0.00002145629184
             11 vec=   -10.164264    -12.099176      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00001844401841
                2p
                   -1 :              -0.00003553995944
                   +0 :              -0.00003553607645
                   +1 :              -0.00003944558031
                3s
                   +0 :              -0.00002016017821
                4s
                   +0 :               0.00011142955017
                3p
                   -1 :               0.00015718732667
                   +0 :               0.00020697613961
                   +1 :               0.00017782564793
                4p
                   -1 :              -0.00007935839503
                   +0 :              -0.00003716001629
                   +1 :              -0.00008719956371
                3d
                   -2 :              -0.00007147027381
                   -1 :              -0.00008496052345
                   +0 :               0.00000571771468
                   +1 :               0.00005711780046
                   +2 :               0.00002206703462
             12 vec=     5.396061     14.852098      2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00000461076932
                2p
                   -1 :              -0.00002983323779
                   +0 :               0.00005031123031
                   +1 :               0.00001959681068
                3s
                   +0 :               0.00011261791508
                4s
                   +0 :              -0.00002468413565
                3p
                   -1 :               0.00013884196484
                   +0 :              -0.00025869024158
                   +1 :              -0.00014679790837
                4p
                   -1 :              -0.00004962313394
                   +0 :               0.00006425541301
                   +1 :               0.00003878355878
                3d
                   -2 :              -0.00002396080709
                   -1 :              -0.00004146820542
                   +0 :              -0.00000049406995
                   +1 :              -0.00000132862056
                   +2 :               0.00000371740229
             13 vec=    -2.384101    -16.591055      2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00004008634420
                2p
                   -1 :              -0.00000472401819
                   +0 :              -0.00000693762239
                   +1 :              -0.00002177630502
                3s
                   +0 :              -0.00027335901114
                4s
                   +0 :               0.00012704983429
                3p
                   -1 :               0.00008105265688
                   +0 :              -0.00005304502015
                   +1 :               0.00008872645356
                4p
                   -1 :              -0.00004678928506
                   +0 :               0.00002039903245
                   +1 :               0.00000771623527
                3d
                   -2 :              -0.00000273379025
                   -1 :               0.00003040976086
                   +0 :              -0.00002090401752
                   +1 :              -0.00000389181147
                   +2 :               0.00002356180894
             14 vec=    13.176224     10.360219      2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00005457575721
                2p
                   -1 :               0.00002841181097
                   +0 :               0.00002311869297
                   +1 :               0.00001880502218
                3s
                   +0 :              -0.00012844859185
                4s
                   +0 :               0.00005497577131
                3p
                   -1 :              -0.00010621960087
                   +0 :              -0.00009187657156
                   +1 :              -0.00010064680340
                4p
                   -1 :               0.00002590900921
                   +0 :               0.00003243329718
                   +1 :               0.00003205929812
                3d
                   -2 :               0.00000573298971
                   -1 :               0.00001545825480
                   +0 :               0.00000167008461
                   +1 :              -0.00003059685038
                   +2 :              -0.00000607356687
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al(  6)  npairs=  13
              1 vec=    -2.384101      1.376461      9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00003826558048
                2p
                   -1 :               0.00000128128514
                   +0 :              -0.00012447041436
                   +1 :               0.00019439251943
                3s
                   +0 :              -0.00058773011179
                4s
                   +0 :               0.00025072956247
                3p
                   -1 :              -0.00047768787371
                   +0 :               0.00011893672796
                   +1 :              -0.00056159567119
                4p
                   -1 :               0.00007930688405
                   +0 :               0.00006694856079
                   +1 :               0.00028414614661
                3d
                   -2 :              -0.00003539222348
                   -1 :              -0.00007448403188
                   +0 :               0.00003523284695
                   +1 :               0.00006359888303
                   +2 :               0.00029946437680
              2 vec=     5.396061     -3.115418      9.762967   |vec|=   11.581832
                2s
                   +0 :               0.00034709093914
                2p
                   -1 :               0.00019468022981
                   +0 :               0.00007611313851
                   +1 :               0.00043523898156
                3s
                   +0 :              -0.00121170936616
                4s
                   +0 :               0.00048920427635
                3p
                   -1 :              -0.00061743274226
                   +0 :              -0.00064991875912
                   +1 :              -0.00208881254811
                4p
                   -1 :               0.00003341309659
                   +0 :               0.00033937906212
                   +1 :               0.00052461333299
                3d
                   -2 :              -0.00007718027543
                   -1 :              -0.00025292835841
                   +0 :              -0.00005156243477
                   +1 :              -0.00039394305921
                   +2 :              -0.00010791683561
              3 vec=    -2.384101     -7.607297      9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00001589196953
                2p
                   -1 :               0.00035523501635
                   +0 :              -0.00012073307859
                   +1 :              -0.00005465286237
                3s
                   +0 :              -0.00060738057399
                4s
                   +0 :              -0.00016822711235
                3p
                   -1 :              -0.00073540571430
                   +0 :               0.00048821035903
                   +1 :              -0.00009968853429
                4p
                   -1 :               0.00028506217667
                   +0 :              -0.00038902272437
                   +1 :               0.00016211826328
                3d
                   -2 :               0.00021499003159
                   -1 :              -0.00010284929291
                   +0 :               0.00013399858494
                   +1 :              -0.00006060752291
                   +2 :               0.00021014509081
              4 vec=     5.396061      5.868340      9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00001222508894
                2p
                   -1 :               0.00009624485748
                   +0 :               0.00000859256130
                   +1 :               0.00004849402295
                3s
                   +0 :               0.00143695481534
                4s
                   +0 :              -0.00010042946217
                3p
                   -1 :               0.00043700392567
                   +0 :               0.00041214806174
                   +1 :               0.00089642578493
                4p
                   -1 :               0.00013933259660
                   +0 :              -0.00002502695337
                   +1 :              -0.00005996268196
                3d
                   -2 :               0.00033092769068
                   -1 :               0.00021480251043
                   +0 :              -0.00018290162601
                   +1 :               0.00014411761998
                   +2 :               0.00008052316487
              5 vec=   -10.164264     -3.115418      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00003113887274
                2p
                   -1 :               0.00003569079027
                   +0 :               0.00000890984196
                   +1 :              -0.00009257829470
                3s
                   +0 :               0.00004182733608
                4s
                   +0 :              -0.00000283510288
                3p
                   -1 :              -0.00013960419081
                   +0 :              -0.00014914099866
                   +1 :               0.00059953113525
                4p
                   -1 :              -0.00004816283163
                   +0 :               0.00005458706286
                   +1 :              -0.00013308882001
                3d
                   -2 :              -0.00004640898918
                   -1 :              -0.00006014367237
                   +0 :               0.00003658929828
                   +1 :               0.00018144723286
                   +2 :              -0.00019606766326
              6 vec=    -2.384101     10.360219      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00002494107731
                2p
                   -1 :              -0.00007879825078
                   +0 :              -0.00003417012524
                   +1 :               0.00005723750244
                3s
                   +0 :               0.00017627391670
                4s
                   +0 :              -0.00014706492683
                3p
                   -1 :               0.00031669840203
                   +0 :               0.00029287422329
                   +1 :              -0.00034442854377
                4p
                   -1 :              -0.00011219977487
                   +0 :              -0.00011289544291
                   +1 :               0.00004460808323
                3d
                   -2 :              -0.00005113862307
                   -1 :               0.00006747537238
                   +0 :               0.00002666399789
                   +1 :              -0.00004382796795
                   +2 :              -0.00002862513405
              7 vec=    -2.384101      1.376461    -14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00003278888448
                2p
                   -1 :              -0.00001066332452
                   +0 :              -0.00000885900580
                   +1 :              -0.00000257136384
                3s
                   +0 :              -0.00002266970976
                4s
                   +0 :              -0.00002576195735
                3p
                   -1 :               0.00019300485725
                   +0 :              -0.00000524819147
                   +1 :               0.00006041868487
                4p
                   -1 :              -0.00004080637804
                   +0 :               0.00001982742277
                   +1 :              -0.00001026936640
                3d
                   -2 :               0.00000963143577
                   -1 :              -0.00005117290608
                   +0 :               0.00002012339851
                   +1 :              -0.00003704787975
                   +2 :               0.00007010494719
              8 vec=   -10.164264      5.868340      9.762967   |vec|=   15.266473
                2s
                   +0 :               0.00023277597625
                2p
                   -1 :               0.00001032077365
                   +0 :               0.00009959007407
                   +1 :              -0.00015791350384
                3s
                   +0 :              -0.00069476341570
                4s
                   +0 :               0.00016190738707
                3p
                   -1 :               0.00006600443748
                   +0 :              -0.00040306421932
                   +1 :               0.00080152399870
                4p
                   -1 :              -0.00005474101216
                   +0 :               0.00009258151643
                   +1 :              -0.00018473306412
                3d
                   -2 :               0.00012280134923
                   -1 :              -0.00006122974545
                   +0 :               0.00001124127417
                   +1 :               0.00016372981551
                   +2 :              -0.00010027966290
              9 vec=     5.396061     -3.115418    -14.784576   |vec|=   16.043908
                2s
                   +0 :               0.00002132759168
                2p
                   -1 :              -0.00001946464290
                   +0 :               0.00000170101653
                   +1 :               0.00000015777172
                3s
                   +0 :              -0.00002476671364
                4s
                   +0 :               0.00001993913355
                3p
                   -1 :               0.00001266632864
                   +0 :              -0.00004898242939
                   +1 :               0.00008732475155
                4p
                   -1 :              -0.00000539560585
                   +0 :               0.00001547636554
                   +1 :               0.00000643012450
                3d
                   -2 :               0.00001155271453
                   -1 :               0.00004759426133
                   +0 :               0.00004150385782
                   +1 :              -0.00003983814587
                   +2 :              -0.00005070133921
             10 vec=     5.396061    -12.099176      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00005108806217
                2p
                   -1 :               0.00009635900701
                   +0 :              -0.00001468942500
                   +1 :              -0.00001740594181
                3s
                   +0 :               0.00008574820447
                4s
                   +0 :              -0.00005338362788
                3p
                   -1 :              -0.00035047121055
                   +0 :               0.00000886044791
                   +1 :               0.00010393023339
                4p
                   -1 :               0.00007191216533
                   +0 :               0.00000152876684
                   +1 :              -0.00005442566628
                3d
                   -2 :              -0.00005673514326
                   -1 :              -0.00004056924432
                   +0 :              -0.00000472964949
                   +1 :              -0.00000584346724
                   +2 :              -0.00000930763052
             11 vec=    13.176224      1.376461      9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00000052401951
                2p
                   -1 :               0.00000043562503
                   +0 :               0.00001130598776
                   +1 :               0.00001889174014
                3s
                   +0 :               0.00004277819226
                4s
                   +0 :              -0.00004246909929
                3p
                   -1 :              -0.00007125278949
                   +0 :              -0.00007072758864
                   +1 :              -0.00003902438896
                4p
                   -1 :               0.00003086259742
                   +0 :              -0.00001369230515
                   +1 :              -0.00001647123229
                3d
                   -2 :              -0.00000354246225
                   -1 :              -0.00000310524010
                   +0 :              -0.00001461417175
                   +1 :              -0.00003670843944
                   +2 :              -0.00001980027748
             12 vec=    -2.384101     -7.607297    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00009835829527
                2p
                   -1 :               0.00000488188110
                   +0 :              -0.00002761119356
                   +1 :              -0.00001925496763
                3s
                   +0 :              -0.00039220804509
                4s
                   +0 :               0.00004941596085
                3p
                   -1 :              -0.00003478936541
                   +0 :               0.00014776859112
                   +1 :               0.00016281950566
                4p
                   -1 :              -0.00000013978802
                   +0 :              -0.00000176471665
                   +1 :              -0.00000543679662
                3d
                   -2 :              -0.00004361796563
                   -1 :               0.00000762583472
                   +0 :               0.00002176518805
                   +1 :              -0.00003216536475
                   +2 :              -0.00005275357081
             13 vec=     5.396061      5.868340    -14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00005009495035
                2p
                   -1 :              -0.00000572153527
                   +0 :               0.00001950584558
                   +1 :              -0.00001613751527
                3s
                   +0 :               0.00013812436464
                4s
                   +0 :              -0.00005896744280
                3p
                   -1 :              -0.00002832011091
                   +0 :              -0.00001662520250
                   +1 :               0.00005168484638
                4p
                   -1 :              -0.00000790698547
                   +0 :               0.00001882083622
                   +1 :              -0.00002174565989
                3d
                   -2 :              -0.00003520116299
                   -1 :               0.00003109225429
                   +0 :              -0.00003579924746
                   +1 :               0.00002093098349
                   +2 :              -0.00000137697988
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al(  7)  npairs=  14
              1 vec=    -2.384101      1.376461     -2.510804   |vec|=    3.725953
                2s
                   +0 :               0.00875710706786
                2p
                   -1 :               0.00362337726348
                   +0 :              -0.01013754134577
                   +1 :              -0.00954911220564
                3s
                   +0 :               0.03005381845258
                4s
                   +0 :               0.00160073431827
                3p
                   -1 :              -0.01864516247436
                   +0 :              -0.03010343795039
                   +1 :              -0.02675005219992
                4p
                   -1 :               0.00492906422681
                   +0 :              -0.00296359554561
                   +1 :              -0.00151393731044
                3d
                   -2 :               0.00569567961628
                   -1 :               0.00422405187540
                   +0 :               0.01258313626268
                   +1 :               0.02517033221167
                   +2 :               0.01980383011409
              2 vec=     5.396061     -3.115418     -2.510804   |vec|=    6.717696
                2s
                   +0 :              -0.00200942211303
                2p
                   -1 :               0.00057565456428
                   +0 :               0.00027519927643
                   +1 :              -0.00055547398429
                3s
                   +0 :               0.01438093375103
                4s
                   +0 :              -0.00462635880217
                3p
                   -1 :              -0.00471436081256
                   +0 :              -0.00645267697681
                   +1 :               0.00830200717659
                4p
                   -1 :               0.00095332693740
                   +0 :               0.00157596683745
                   +1 :              -0.00147472451292
                3d
                   -2 :               0.00046939232815
                   -1 :               0.00198791211307
                   +0 :               0.00043287911272
                   +1 :              -0.00023570723302
                   +2 :               0.00173074286714
              3 vec=    -2.384101     -7.607297     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00117286267856
                2p
                   -1 :               0.00101430431196
                   +0 :              -0.00045970380978
                   +1 :               0.00069500893834
                3s
                   +0 :              -0.00021967049270
                4s
                   +0 :              -0.00122356958238
                3p
                   -1 :              -0.00508290602356
                   +0 :               0.00689132958782
                   +1 :              -0.00481832842253
                4p
                   -1 :               0.00202013339672
                   +0 :              -0.00069690467709
                   +1 :               0.00014959387578
                3d
                   -2 :               0.00216347789987
                   -1 :              -0.00143776553560
                   +0 :              -0.00340082373428
                   +1 :               0.00125637631146
                   +2 :              -0.00102294779875
              4 vec=     5.396061      5.868340     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00086974455517
                2p
                   -1 :              -0.00022841151734
                   +0 :               0.00056484062016
                   +1 :              -0.00058091743679
                3s
                   +0 :               0.00800103585363
                4s
                   +0 :              -0.00120453858299
                3p
                   -1 :              -0.00050218950436
                   +0 :              -0.00780518971913
                   +1 :               0.00527354654721
                4p
                   -1 :               0.00012255483934
                   +0 :               0.00107561039087
                   +1 :              -0.00083632893746
                3d
                   -2 :              -0.00085722388220
                   -1 :              -0.00006252880779
                   +0 :               0.00128768026729
                   +1 :              -0.00207303851229
                   +2 :               0.00124834209004
              5 vec=   -10.164264     -3.115418     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00031545487757
                2p
                   -1 :               0.00008098884690
                   +0 :               0.00014939035198
                   +1 :               0.00032260824482
                3s
                   +0 :              -0.00012140112972
                4s
                   +0 :              -0.00014817632028
                3p
                   -1 :              -0.00006905763180
                   +0 :              -0.00081621077658
                   +1 :              -0.00057603242434
                4p
                   -1 :               0.00010003345776
                   +0 :               0.00031775641852
                   +1 :               0.00016444275334
                3d
                   -2 :               0.00007809287097
                   -1 :               0.00003751805844
                   +0 :              -0.00027796147328
                   +1 :              -0.00001785985333
                   +2 :               0.00005555116375
              6 vec=    -2.384101     10.360219     -2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00000101570693
                2p
                   -1 :              -0.00007153446768
                   +0 :               0.00004680623849
                   +1 :               0.00018614333340
                3s
                   +0 :               0.00036198076052
                4s
                   +0 :              -0.00002123595907
                3p
                   -1 :               0.00057788343733
                   +0 :              -0.00030675804106
                   +1 :              -0.00061699627569
                4p
                   -1 :              -0.00015577844803
                   +0 :               0.00005208624876
                   +1 :               0.00012526166575
                3d
                   -2 :              -0.00031908149000
                   -1 :              -0.00033251623234
                   +0 :              -0.00024516266276
                   +1 :              -0.00029905168943
                   +2 :              -0.00006919508358
              7 vec=   -10.164264      5.868340     -2.510804   |vec|=   12.002242
                2s
                   +0 :               0.00002608446434
                2p
                   -1 :               0.00008453568520
                   +0 :              -0.00016643943646
                   +1 :              -0.00006086017578
                3s
                   +0 :               0.00010003381085
                4s
                   +0 :               0.00018634720199
                3p
                   -1 :              -0.00013273583061
                   +0 :               0.00031742831546
                   +1 :               0.00027809763357
                4p
                   -1 :               0.00015002744879
                   +0 :              -0.00011216634100
                   +1 :              -0.00009766202328
                3d
                   -2 :               0.00004716921747
                   -1 :              -0.00019949085792
                   +0 :              -0.00003557901905
                   +1 :              -0.00004683990242
                   +2 :              -0.00013898171082
              8 vec=     5.396061    -12.099176     -2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00011109981246
                2p
                   -1 :              -0.00006576055644
                   +0 :              -0.00007556809828
                   +1 :              -0.00010606045122
                3s
                   +0 :              -0.00151028722565
                4s
                   +0 :               0.00037385715115
                3p
                   -1 :               0.00101025532841
                   +0 :               0.00114661424027
                   +1 :               0.00077088891097
                4p
                   -1 :              -0.00022590966714
                   +0 :              -0.00015184971555
                   +1 :              -0.00014273970213
                3d
                   -2 :              -0.00011417501979
                   -1 :              -0.00038246808400
                   +0 :              -0.00028525070939
                   +1 :               0.00001195507138
                   +2 :               0.00028150429192
              9 vec=    13.176224      1.376461     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00009206345384
                2p
                   -1 :               0.00012578346527
                   +0 :              -0.00002093794162
                   +1 :              -0.00009641243824
                3s
                   +0 :               0.00025979044927
                4s
                   +0 :              -0.00012043570206
                3p
                   -1 :              -0.00062112119644
                   +0 :              -0.00000153131299
                   +1 :               0.00049822892289
                4p
                   -1 :               0.00015999768381
                   +0 :               0.00008927378926
                   +1 :              -0.00015404857307
                3d
                   -2 :              -0.00020641754343
                   -1 :               0.00010697872809
                   +0 :              -0.00016087343906
                   +1 :              -0.00000419077122
                   +2 :               0.00013359735556
             10 vec=    13.176224     -7.607297     -2.510804   |vec|=   15.420376
                2s
                   +0 :               0.00006230085593
                2p
                   -1 :              -0.00002949307025
                   +0 :              -0.00003048507920
                   +1 :               0.00003055869260
                3s
                   +0 :              -0.00029369335866
                4s
                   +0 :               0.00010035945817
                3p
                   -1 :               0.00013889994016
                   +0 :               0.00020973368304
                   +1 :              -0.00015346272016
                4p
                   -1 :              -0.00004440597849
                   +0 :              -0.00006416516779
                   +1 :               0.00004598035948
                3d
                   -2 :               0.00000011656947
                   -1 :               0.00000705132134
                   +0 :               0.00003041516262
                   +1 :               0.00005191142706
                   +2 :               0.00001822362079
             11 vec=   -10.164264    -12.099176     -2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00007100869568
                2p
                   -1 :              -0.00006256059830
                   +0 :               0.00002672197335
                   +1 :              -0.00005529837792
                3s
                   +0 :              -0.00019372412238
                4s
                   +0 :               0.00009537469188
                3p
                   -1 :               0.00021131221194
                   +0 :              -0.00017001812009
                   +1 :               0.00025323912420
                4p
                   -1 :              -0.00007675725241
                   +0 :               0.00001850979206
                   +1 :              -0.00007938643084
                3d
                   -2 :              -0.00000826519729
                   -1 :               0.00001997516209
                   +0 :               0.00005448556989
                   +1 :               0.00000494896557
                   +2 :              -0.00004435609367
             12 vec=     5.396061     14.852098     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00002482799516
                2p
                   -1 :              -0.00005573562870
                   +0 :              -0.00003639931103
                   +1 :               0.00004796589428
                3s
                   +0 :               0.00021317557319
                4s
                   +0 :              -0.00013143641163
                3p
                   -1 :               0.00029881277961
                   +0 :               0.00009819071364
                   +1 :              -0.00016705510297
                4p
                   -1 :              -0.00011577698573
                   +0 :              -0.00000843386486
                   +1 :               0.00002629251276
                3d
                   -2 :               0.00000870698476
                   -1 :               0.00001454962021
                   +0 :               0.00001250620384
                   +1 :               0.00001069382088
                   +2 :              -0.00003615635146
             13 vec=    -2.384101    -16.591055     -2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00006103964254
                2p
                   -1 :               0.00003024781857
                   +0 :               0.00002876000791
                   +1 :               0.00002167552117
                3s
                   +0 :               0.00013200880368
                4s
                   +0 :              -0.00007442054989
                3p
                   -1 :              -0.00012989734264
                   +0 :              -0.00009962213849
                   +1 :              -0.00004585671516
                4p
                   -1 :               0.00003746188529
                   +0 :               0.00004355751412
                   +1 :               0.00000622420390
                3d
                   -2 :              -0.00000832078152
                   -1 :               0.00001997406516
                   +0 :               0.00001681514682
                   +1 :              -0.00003862069643
                   +2 :               0.00000877168518
             14 vec=    13.176224     10.360219     -2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00002060856086
                2p
                   -1 :              -0.00001315102928
                   +0 :              -0.00000094332142
                   +1 :              -0.00000089015680
                3s
                   +0 :               0.00012821839617
                4s
                   +0 :              -0.00005334192263
                3p
                   -1 :               0.00003342090051
                   +0 :              -0.00003335143834
                   +1 :               0.00002698811872
                4p
                   -1 :               0.00001361210796
                   +0 :               0.00000252928290
                   +1 :              -0.00003115902739
                3d
                   -2 :               0.00001260790029
                   -1 :              -0.00000811277458
                   +0 :               0.00001691159777
                   +1 :              -0.00001104818137
                   +2 :               0.00000321775533
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al(  8)  npairs=  13
              1 vec=    -2.384101      1.376461     -9.763130   |vec|=   10.143831
                2s
                   +0 :              -0.00031592870435
                2p
                   -1 :              -0.00006378925455
                   +0 :               0.00001888483407
                   +1 :              -0.00012212582191
                3s
                   +0 :               0.00106715578482
                4s
                   +0 :              -0.00035157884754
                3p
                   -1 :              -0.00011886325728
                   +0 :              -0.00015561959710
                   +1 :               0.00092286864368
                4p
                   -1 :              -0.00005017791696
                   +0 :               0.00009403322712
                   +1 :              -0.00027652201124
                3d
                   -2 :              -0.00041040520043
                   -1 :               0.00012176458722
                   +0 :              -0.00019836544915
                   +1 :              -0.00012232942635
                   +2 :              -0.00001829685482
              2 vec=     5.396061     -3.115418     -9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00005296794015
                2p
                   -1 :               0.00032454215036
                   +0 :              -0.00008636333240
                   +1 :              -0.00009345486403
                3s
                   +0 :               0.00003008899644
                4s
                   +0 :               0.00013594020469
                3p
                   -1 :              -0.00159702784039
                   +0 :               0.00056958749950
                   +1 :               0.00054583358717
                4p
                   -1 :               0.00048420894725
                   +0 :              -0.00014196354304
                   +1 :              -0.00012916725702
                3d
                   -2 :               0.00004963949572
                   -1 :               0.00021021183326
                   +0 :              -0.00030648015079
                   +1 :               0.00007214040309
                   +2 :               0.00024918281777
              3 vec=    -2.384101     -7.607297     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00004028379020
                2p
                   -1 :               0.00006384369546
                   +0 :               0.00005816770127
                   +1 :               0.00016828259363
                3s
                   +0 :              -0.00054604490929
                4s
                   +0 :               0.00007289296062
                3p
                   -1 :               0.00031547008101
                   +0 :              -0.00023103230579
                   +1 :              -0.00085633960285
                4p
                   -1 :              -0.00000954735549
                   +0 :               0.00006838329661
                   +1 :               0.00040557234169
                3d
                   -2 :              -0.00002398845118
                   -1 :               0.00009857344029
                   +0 :               0.00004734035152
                   +1 :              -0.00004676215309
                   +2 :              -0.00006774232250
              4 vec=     5.396061      5.868340     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00009130573092
                2p
                   -1 :               0.00004792775766
                   +0 :              -0.00006203087855
                   +1 :               0.00026316639151
                3s
                   +0 :               0.00191108447547
                4s
                   +0 :              -0.00008544673069
                3p
                   -1 :               0.00050679212002
                   +0 :              -0.00011530297519
                   +1 :               0.00039736625008
                4p
                   -1 :               0.00002508871280
                   +0 :              -0.00011591974615
                   +1 :               0.00013501741210
                3d
                   -2 :               0.00025640858473
                   -1 :              -0.00015894741502
                   +0 :              -0.00024510880102
                   +1 :              -0.00002694401494
                   +2 :               0.00027358883545
              5 vec=   -10.164264     -3.115418     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00005149018673
                2p
                   -1 :               0.00015726280564
                   +0 :              -0.00002344675332
                   +1 :              -0.00007947879934
                3s
                   +0 :              -0.00023414725155
                4s
                   +0 :               0.00002997144470
                3p
                   -1 :              -0.00088568471390
                   +0 :               0.00017281522483
                   +1 :               0.00033572834376
                4p
                   -1 :               0.00016461314096
                   +0 :              -0.00004773779799
                   +1 :              -0.00000038218081
                3d
                   -2 :               0.00016472724979
                   -1 :               0.00018309633522
                   +0 :               0.00000925660521
                   +1 :              -0.00010484865738
                   +2 :              -0.00010604713459
              6 vec=    -2.384101     10.360219     -9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00019027764277
                2p
                   -1 :              -0.00005596515738
                   +0 :               0.00004522176765
                   +1 :               0.00001125800868
                3s
                   +0 :               0.00064430803062
                4s
                   +0 :              -0.00019072620605
                3p
                   -1 :               0.00030722338701
                   +0 :              -0.00019002255972
                   +1 :              -0.00015897531010
                4p
                   -1 :              -0.00006746525757
                   +0 :               0.00004508685097
                   +1 :               0.00000282703433
                3d
                   -2 :              -0.00003336595268
                   -1 :              -0.00004176539865
                   +0 :              -0.00004035525638
                   +1 :               0.00003235704839
                   +2 :               0.00004933519763
              7 vec=    -2.384101      1.376461     14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00005861237957
                2p
                   -1 :              -0.00002870923722
                   +0 :               0.00002930799473
                   +1 :               0.00000644407360
                3s
                   +0 :              -0.00017897417034
                4s
                   +0 :               0.00007167770992
                3p
                   -1 :               0.00015747236307
                   +0 :              -0.00010585545855
                   +1 :               0.00007770598781
                4p
                   -1 :              -0.00000213152076
                   +0 :               0.00003752592873
                   +1 :              -0.00000845582436
                3d
                   -2 :              -0.00008484737988
                   -1 :               0.00001801132804
                   +0 :              -0.00000561634188
                   +1 :              -0.00001577241275
                   +2 :              -0.00000053192499
              8 vec=   -10.164264      5.868340     -9.763130   |vec|=   15.266578
                2s
                   +0 :               0.00012547995330
                2p
                   -1 :               0.00004674468952
                   +0 :              -0.00004249723422
                   +1 :              -0.00002584854583
                3s
                   +0 :              -0.00045442772014
                4s
                   +0 :               0.00008315959548
                3p
                   -1 :              -0.00029069746495
                   +0 :               0.00024915898923
                   +1 :               0.00019619026709
                4p
                   -1 :               0.00008076427084
                   +0 :              -0.00004312559829
                   +1 :               0.00001066732134
                3d
                   -2 :               0.00008117270544
                   -1 :               0.00006284032790
                   +0 :               0.00001695799643
                   +1 :              -0.00009763193115
                   +2 :               0.00002132113990
              9 vec=     5.396061     -3.115418     14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00000136637700
                2p
                   -1 :              -0.00005473017262
                   +0 :               0.00001759639174
                   +1 :              -0.00001191355222
                3s
                   +0 :              -0.00012148814392
                4s
                   +0 :               0.00004911730661
                3p
                   -1 :               0.00025347586242
                   +0 :              -0.00015758631739
                   +1 :               0.00010761224281
                4p
                   -1 :              -0.00006478756197
                   +0 :               0.00004653333947
                   +1 :              -0.00002078929918
                3d
                   -2 :              -0.00005065847230
                   -1 :               0.00003599137582
                   +0 :              -0.00005248102170
                   +1 :              -0.00002442069823
                   +2 :               0.00000136417184
             10 vec=     5.396061    -12.099176     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00002133920366
                2p
                   -1 :               0.00000867831261
                   +0 :              -0.00000765947561
                   +1 :              -0.00000778655790
                3s
                   +0 :              -0.00027686957799
                4s
                   +0 :               0.00008269103013
                3p
                   -1 :               0.00009007501704
                   +0 :               0.00008416268306
                   +1 :               0.00002065492351
                4p
                   -1 :              -0.00002650564344
                   +0 :              -0.00004459674307
                   +1 :               0.00001235091060
                3d
                   -2 :              -0.00003252189510
                   -1 :              -0.00002248752083
                   +0 :               0.00000844646093
                   +1 :              -0.00001598823224
                   +2 :               0.00003125253093
             11 vec=    13.176224      1.376461     -9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00002089337908
                2p
                   -1 :              -0.00002239736714
                   +0 :              -0.00000005892322
                   +1 :               0.00002013120398
                3s
                   +0 :               0.00006888585330
                4s
                   +0 :              -0.00002257597716
                3p
                   -1 :               0.00012362919826
                   +0 :               0.00006649356494
                   +1 :              -0.00008525918423
                4p
                   -1 :              -0.00004716134253
                   +0 :              -0.00002041323367
                   +1 :               0.00001685260908
                3d
                   -2 :               0.00007956227322
                   -1 :              -0.00001023849464
                   +0 :              -0.00002710245028
                   +1 :               0.00000549830369
                   +2 :              -0.00004024947111
             12 vec=    -2.384101     -7.607297     14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00005420647989
                2p
                   -1 :               0.00001292931850
                   +0 :              -0.00000069636817
                   +1 :               0.00006483634539
                3s
                   +0 :              -0.00018992789195
                4s
                   +0 :               0.00000756445876
                3p
                   -1 :              -0.00006257031802
                   +0 :               0.00007935626041
                   +1 :              -0.00029100278091
                4p
                   -1 :               0.00001406526168
                   +0 :              -0.00004490705898
                   +1 :               0.00006735540007
                3d
                   -2 :              -0.00002522271603
                   -1 :              -0.00004121968533
                   +0 :               0.00009727179764
                   +1 :              -0.00003979575689
                   +2 :              -0.00005711701037
             13 vec=     5.396061      5.868340     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00007865838714
                2p
                   -1 :              -0.00001607843541
                   +0 :              -0.00003455684441
                   +1 :               0.00002228869513
                3s
                   +0 :               0.00020742496094
                4s
                   +0 :              -0.00006643076939
                3p
                   -1 :               0.00002894576101
                   +0 :               0.00004426807738
                   +1 :              -0.00014297248123
                4p
                   -1 :              -0.00000220164858
                   +0 :              -0.00002992001170
                   +1 :               0.00002651159322
                3d
                   -2 :              -0.00003161102572
                   -1 :              -0.00002469523487
                   +0 :              -0.00004351137876
                   +1 :              -0.00002750197753
                   +2 :              -0.00002751038570
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al(  9)  npairs=  15
              1 vec=     2.802674      1.376461     10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00055161010350
                2p
                   -1 :               0.00002965659909
                   +0 :               0.00013638563541
                   +1 :              -0.00026585015793
                3s
                   +0 :              -0.00182796694948
                4s
                   +0 :               0.00035478996825
                3p
                   -1 :              -0.00081220451335
                   +0 :              -0.00049832707004
                   +1 :               0.00090186059792
                4p
                   -1 :              -0.00000553424853
                   +0 :              -0.00003503359231
                   +1 :              -0.00027695146541
                3d
                   -2 :              -0.00000971836960
                   -1 :              -0.00023834477023
                   +0 :               0.00032540252246
                   +1 :              -0.00001809246673
                   +2 :              -0.00030084652970
              2 vec=    -4.977489     -3.115418     10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00036782078162
                2p
                   -1 :              -0.00034649360391
                   +0 :               0.00009768137251
                   +1 :               0.00004135945553
                3s
                   +0 :              -0.00124828352332
                4s
                   +0 :               0.00021090777678
                3p
                   -1 :               0.00176236783471
                   +0 :              -0.00030998773903
                   +1 :              -0.00032720510688
                4p
                   -1 :              -0.00031632319744
                   +0 :               0.00001867465042
                   +1 :               0.00009087219532
                3d
                   -2 :               0.00003587318702
                   -1 :               0.00036808883536
                   +0 :               0.00026043330172
                   +1 :              -0.00013932461514
                   +2 :               0.00019269970306
              3 vec=    -4.977489      5.868340     10.693319   |vec|=   13.174213
                2s
                   +0 :              -0.00010460863385
                2p
                   -1 :               0.00004286443889
                   +0 :               0.00002682910529
                   +1 :              -0.00010683860714
                3s
                   +0 :               0.00155073057899
                4s
                   +0 :              -0.00016991706537
                3p
                   -1 :               0.00038100941361
                   +0 :               0.00083970877750
                   +1 :              -0.00020596668504
                4p
                   -1 :              -0.00001796566989
                   +0 :               0.00000015243914
                   +1 :              -0.00011554135318
                3d
                   -2 :              -0.00011701262978
                   -1 :               0.00018556312626
                   +0 :               0.00005884798596
                   +1 :              -0.00017686086427
                   +2 :               0.00002517328777
              4 vec=     2.802674     -7.607297     10.693319   |vec|=   13.419128
                2s
                   +0 :              -0.00015068753444
                2p
                   -1 :              -0.00014315091185
                   +0 :              -0.00006683871933
                   +1 :              -0.00009224077590
                3s
                   +0 :              -0.00034258273106
                4s
                   +0 :               0.00016516386172
                3p
                   -1 :               0.00102241914116
                   +0 :              -0.00044060322964
                   +1 :               0.00027865235117
                4p
                   -1 :              -0.00017321521404
                   +0 :               0.00019314147676
                   +1 :               0.00004503316961
                3d
                   -2 :               0.00000995572383
                   -1 :               0.00025336198372
                   +0 :              -0.00027149392709
                   +1 :               0.00023774918540
                   +2 :               0.00008747524296
              5 vec=     2.802674      1.376461    -13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00003127250729
                2p
                   -1 :               0.00004426026431
                   +0 :               0.00003377479280
                   +1 :              -0.00000323660803
                3s
                   +0 :              -0.00003778934853
                4s
                   +0 :              -0.00000266417141
                3p
                   -1 :              -0.00013642045677
                   +0 :              -0.00019189276980
                   +1 :              -0.00006836361935
                4p
                   -1 :               0.00006525858536
                   +0 :               0.00007516842537
                   +1 :               0.00001776374802
                3d
                   -2 :              -0.00002682747300
                   -1 :              -0.00004921537317
                   +0 :               0.00001335326823
                   +1 :              -0.00001248071918
                   +2 :               0.00003525828723
              6 vec=    -4.977489     -3.115418    -13.854224   |vec|=   15.047283
                2s
                   +0 :              -0.00000963249707
                2p
                   -1 :              -0.00004443805051
                   +0 :               0.00002292542554
                   +1 :              -0.00000594110513
                3s
                   +0 :               0.00003643451502
                4s
                   +0 :               0.00002603195378
                3p
                   -1 :               0.00010712687907
                   +0 :              -0.00015843734897
                   +1 :              -0.00000468788934
                4p
                   -1 :              -0.00003614172424
                   +0 :               0.00002706420195
                   +1 :              -0.00003579287894
                3d
                   -2 :               0.00001358516181
                   -1 :               0.00003513631025
                   +0 :               0.00003929570883
                   +1 :               0.00004674837511
                   +2 :              -0.00005891803405
              7 vec=     2.802674     10.360219     10.693319   |vec|=   15.150452
                2s
                   +0 :               0.00000635765525
                2p
                   -1 :              -0.00001456402390
                   +0 :               0.00004188170027
                   +1 :               0.00006242104667
                3s
                   +0 :               0.00009913459627
                4s
                   +0 :               0.00001242658050
                3p
                   -1 :               0.00005898854738
                   +0 :              -0.00011139409835
                   +1 :              -0.00012439675179
                4p
                   -1 :              -0.00001315637278
                   +0 :               0.00004885535094
                   +1 :               0.00005136383710
                3d
                   -2 :               0.00002872711117
                   -1 :              -0.00002660712656
                   +0 :              -0.00000898762011
                   +1 :               0.00001688787255
                   +2 :               0.00002549716983
              8 vec=    10.582837     -3.115418     10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00012563392620
                2p
                   -1 :               0.00000149399469
                   +0 :              -0.00005338727702
                   +1 :              -0.00002033655586
                3s
                   +0 :               0.00022454240441
                4s
                   +0 :              -0.00001890100737
                3p
                   -1 :              -0.00004894735974
                   +0 :               0.00019102584644
                   +1 :              -0.00012308657792
                4p
                   -1 :              -0.00001646440748
                   +0 :              -0.00005763811038
                   +1 :               0.00009563193128
                3d
                   -2 :               0.00000345892826
                   -1 :              -0.00003905406796
                   +0 :               0.00001580774337
                   +1 :              -0.00003001901194
                   +2 :              -0.00004119191832
              9 vec=    -4.977489      5.868340    -13.854224   |vec|=   15.847786
                2s
                   +0 :               0.00003891101534
                2p
                   -1 :               0.00003271079174
                   +0 :               0.00003157696634
                   +1 :              -0.00000381378308
                3s
                   +0 :              -0.00007247918444
                4s
                   +0 :              -0.00005288071899
                3p
                   -1 :              -0.00019267396818
                   +0 :              -0.00030078648201
                   +1 :               0.00006697825216
                4p
                   -1 :               0.00000430523373
                   +0 :               0.00012713359644
                   +1 :               0.00000711061754
                3d
                   -2 :               0.00003171073025
                   -1 :               0.00001324729124
                   +0 :               0.00009396746068
                   +1 :               0.00001158798599
                   +2 :               0.00002726185109
             10 vec=     2.802674     -7.607297    -13.854224   |vec|=   16.051961
                2s
                   +0 :              -0.00002699017427
                2p
                   -1 :               0.00003171766564
                   +0 :               0.00002206993902
                   +1 :               0.00005162452706
                3s
                   +0 :              -0.00008879898352
                4s
                   +0 :               0.00001052621376
                3p
                   -1 :              -0.00013270866696
                   +0 :              -0.00002336381865
                   +1 :              -0.00034263570192
                4p
                   -1 :               0.00000722623587
                   +0 :              -0.00000527466815
                   +1 :               0.00004447229439
                3d
                   -2 :               0.00002758292288
                   -1 :               0.00003677990764
                   +0 :               0.00002358577885
                   +1 :              -0.00002991509454
                   +2 :              -0.00002751985199
             11 vec=    10.582837      5.868340     10.693319   |vec|=   16.148712
                2s
                   +0 :               0.00020153860463
                2p
                   -1 :               0.00004268454122
                   +0 :               0.00009923518121
                   +1 :               0.00006924116569
                3s
                   +0 :              -0.00069688131796
                4s
                   +0 :               0.00023464931833
                3p
                   -1 :              -0.00017951941130
                   +0 :              -0.00048481962887
                   +1 :              -0.00030553885707
                4p
                   -1 :               0.00004135363119
                   +0 :               0.00015328678916
                   +1 :               0.00005311652667
                3d
                   -2 :               0.00000781735956
                   -1 :              -0.00005311173039
                   +0 :              -0.00006241046864
                   +1 :              -0.00009578700175
                   +2 :              -0.00000943038468
             12 vec=   -12.757651      1.376461     10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00005503892579
                2p
                   -1 :              -0.00001578241067
                   +0 :               0.00004585547788
                   +1 :              -0.00003434718995
                3s
                   +0 :              -0.00025220115528
                4s
                   +0 :               0.00010498249188
                3p
                   -1 :               0.00008280867125
                   +0 :              -0.00028391079719
                   +1 :               0.00019190577130
                4p
                   -1 :              -0.00002828862446
                   +0 :               0.00007122087058
                   +1 :              -0.00005930187092
                3d
                   -2 :              -0.00004350854197
                   -1 :               0.00002141054158
                   +0 :              -0.00007247340189
                   +1 :               0.00006162643505
                   +2 :              -0.00003206663611
             13 vec=    -4.977489    -12.099176     10.693319   |vec|=   16.897115
                2s
                   +0 :               0.00012828253498
                2p
                   -1 :              -0.00003647737276
                   +0 :               0.00003472491082
                   +1 :               0.00003971952411
                3s
                   +0 :              -0.00047844422790
                4s
                   +0 :               0.00009096896405
                3p
                   -1 :               0.00015447286978
                   +0 :              -0.00023777153663
                   +1 :              -0.00028991743827
                4p
                   -1 :               0.00000471427709
                   +0 :               0.00003258833254
                   +1 :               0.00011912673623
                3d
                   -2 :               0.00003617804311
                   -1 :               0.00000864016607
                   +0 :              -0.00006710365055
                   +1 :              -0.00001175166745
                   +2 :               0.00002490564018
             14 vec=     2.802674     10.360219    -13.854224   |vec|=   17.525086
                2s
                   +0 :              -0.00000588299496
                2p
                   -1 :              -0.00000063693019
                   +0 :               0.00000169599170
                   +1 :              -0.00000623959654
                3s
                   +0 :               0.00018334949513
                4s
                   +0 :              -0.00004933362200
                3p
                   -1 :               0.00013287913523
                   +0 :              -0.00008008965552
                   +1 :               0.00004841119292
                4p
                   -1 :              -0.00001257673277
                   +0 :               0.00003410668974
                   +1 :              -0.00001613312428
                3d
                   -2 :               0.00000971716789
                   -1 :              -0.00001458814794
                   +0 :              -0.00002974133881
                   +1 :              -0.00001100491343
                   +2 :              -0.00002769457708
             15 vec=    10.582837     -3.115418    -13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00006722806488
                2p
                   -1 :              -0.00000738690852
                   +0 :               0.00000259770836
                   +1 :               0.00002407262854
                3s
                   +0 :              -0.00025125089270
                4s
                   +0 :               0.00004877781717
                3p
                   -1 :               0.00000618775288
                   +0 :              -0.00003262001281
                   +1 :              -0.00017598852908
                4p
                   -1 :               0.00000821114514
                   +0 :               0.00002375473993
                   +1 :               0.00001809503460
                3d
                   -2 :               0.00001452440577
                   -1 :               0.00000722244829
                   +0 :               0.00003358006143
                   +1 :               0.00001026202121
                   +2 :              -0.00003447412694
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al( 10)  npairs=  13
              1 vec=     2.802674      1.376461     -6.601898   |vec|=    7.303060
                2s
                   +0 :               0.00179242520689
                2p
                   -1 :               0.00045834089479
                   +0 :              -0.00025067788240
                   +1 :               0.00014495245860
                3s
                   +0 :              -0.00620196780815
                4s
                   +0 :               0.00166082366400
                3p
                   -1 :              -0.00591694917813
                   +0 :               0.00308116077373
                   +1 :               0.00308763769968
                4p
                   -1 :               0.00011316787078
                   +0 :              -0.00022949526455
                   +1 :              -0.00080070858244
                3d
                   -2 :              -0.00063511158532
                   -1 :               0.00222151077651
                   +0 :              -0.00071271501617
                   +1 :              -0.00006816749490
                   +2 :               0.00151469048294
              2 vec=    -4.977489     -3.115418     -6.601898   |vec|=    8.835512
                2s
                   +0 :               0.00138805995715
                2p
                   -1 :              -0.00081053637117
                   +0 :              -0.00014974077307
                   +1 :               0.00010170744573
                3s
                   +0 :              -0.01279204531780
                4s
                   +0 :               0.00312840523816
                3p
                   -1 :               0.00752509878767
                   +0 :               0.00601376993783
                   +1 :               0.00365891141577
                4p
                   -1 :              -0.00189935219081
                   +0 :              -0.00086371392003
                   +1 :               0.00000265878867
                3d
                   -2 :              -0.00215720813025
                   -1 :              -0.00168103039406
                   +0 :              -0.00051069029401
                   +1 :              -0.00153440308469
                   +2 :               0.00007904339474
              3 vec=    -4.977489      5.868340     -6.601898   |vec|=   10.138928
                2s
                   +0 :               0.00053374510032
                2p
                   -1 :               0.00003554015849
                   +0 :              -0.00044728049506
                   +1 :               0.00007996552519
                3s
                   +0 :              -0.00099351931874
                4s
                   +0 :               0.00022805832006
                3p
                   -1 :              -0.00008080219159
                   +0 :               0.00238628201555
                   +1 :              -0.00134125457406
                4p
                   -1 :              -0.00022265005624
                   +0 :              -0.00044276034112
                   +1 :               0.00024013096020
                3d
                   -2 :              -0.00020037783231
                   -1 :               0.00042863753975
                   +0 :               0.00003634866300
                   +1 :               0.00005213649911
                   +2 :               0.00013669733976
              4 vec=     2.802674     -7.607297     -6.601898   |vec|=   10.455190
                2s
                   +0 :               0.00146687992375
                2p
                   -1 :              -0.00040182441722
                   +0 :              -0.00033565697277
                   +1 :               0.00038357385479
                3s
                   +0 :              -0.00607033634808
                4s
                   +0 :               0.00201145889431
                3p
                   -1 :               0.00265309933992
                   +0 :               0.00247124731839
                   +1 :              -0.00193262946352
                4p
                   -1 :              -0.00066600833333
                   +0 :              -0.00066083220357
                   +1 :               0.00056993063492
                3d
                   -2 :               0.00062024254074
                   -1 :              -0.00032444666700
                   +0 :              -0.00027804177897
                   +1 :               0.00055486233296
                   +2 :               0.00008243550208
              5 vec=     2.802674     10.360219     -6.601898   |vec|=   12.600563
                2s
                   +0 :               0.00039921251575
                2p
                   -1 :               0.00032414645975
                   +0 :              -0.00019080568771
                   +1 :              -0.00005807365915
                3s
                   +0 :              -0.00082680926724
                4s
                   +0 :               0.00039414372530
                3p
                   -1 :              -0.00132904928916
                   +0 :               0.00061973646797
                   +1 :               0.00025164352399
                4p
                   -1 :               0.00040331553296
                   +0 :              -0.00023469531642
                   +1 :              -0.00004545314740
                3d
                   -2 :               0.00010943112357
                   -1 :               0.00014326665948
                   +0 :               0.00005210059720
                   +1 :              -0.00003624037650
                   +2 :               0.00006683584614
              6 vec=    10.582837     -3.115418     -6.601898   |vec|=   12.856411
                2s
                   +0 :               0.00002297034887
                2p
                   -1 :              -0.00002588336297
                   +0 :              -0.00017537834728
                   +1 :               0.00002128665568
                3s
                   +0 :              -0.00018005404141
                4s
                   +0 :               0.00006328654700
                3p
                   -1 :               0.00003379050843
                   +0 :               0.00080174175437
                   +1 :              -0.00002005558453
                4p
                   -1 :               0.00007402651141
                   +0 :              -0.00018003912993
                   +1 :               0.00000532880986
                3d
                   -2 :              -0.00009314780614
                   -1 :              -0.00006199457691
                   +0 :              -0.00023652587003
                   +1 :               0.00019641854994
                   +2 :               0.00001841724308
              7 vec=    10.582837      5.868340     -6.601898   |vec|=   13.784734
                2s
                   +0 :              -0.00000820770144
                2p
                   -1 :               0.00012892906493
                   +0 :               0.00001422760515
                   +1 :              -0.00014632961977
                3s
                   +0 :               0.00023523490646
                4s
                   +0 :              -0.00021145164238
                3p
                   -1 :              -0.00038321307171
                   +0 :              -0.00012218358803
                   +1 :               0.00085607929802
                4p
                   -1 :              -0.00000648464780
                   +0 :               0.00007685404675
                   +1 :              -0.00032325515509
                3d
                   -2 :               0.00010148906665
                   -1 :               0.00010378256588
                   +0 :              -0.00006396458546
                   +1 :              -0.00007171801963
                   +2 :              -0.00003490194614
              8 vec=   -12.757651      1.376461     -6.601898   |vec|=   14.430432
                2s
                   +0 :               0.00001886975175
                2p
                   -1 :              -0.00006659988012
                   +0 :               0.00001759099833
                   +1 :               0.00000894451518
                3s
                   +0 :               0.00016306049070
                4s
                   +0 :              -0.00018514509600
                3p
                   -1 :               0.00027382596085
                   +0 :              -0.00016723669642
                   +1 :              -0.00033378726854
                4p
                   -1 :              -0.00009644710024
                   +0 :               0.00007275347016
                   +1 :               0.00020032045318
                3d
                   -2 :              -0.00004363672637
                   -1 :              -0.00005268654666
                   +0 :              -0.00000302166924
                   +1 :              -0.00001219461385
                   +2 :               0.00012386379697
              9 vec=    -4.977489    -12.099176     -6.601898   |vec|=   14.654368
                2s
                   +0 :              -0.00015445594367
                2p
                   -1 :               0.00003235437628
                   +0 :               0.00002304089734
                   +1 :               0.00005611270891
                3s
                   +0 :               0.00027693701010
                4s
                   +0 :               0.00002105221546
                3p
                   -1 :              -0.00006252245267
                   +0 :              -0.00000066701890
                   +1 :              -0.00034543373994
                4p
                   -1 :              -0.00003509938816
                   +0 :              -0.00005375155224
                   +1 :               0.00008515109733
                3d
                   -2 :               0.00004697243052
                   -1 :               0.00005001912666
                   +0 :              -0.00010408523631
                   +1 :               0.00005585647170
                   +2 :               0.00008390150788
             10 vec=   -12.757651     -7.607297     -6.601898   |vec|=   16.254651
                2s
                   +0 :               0.00009944932600
                2p
                   -1 :              -0.00005234135114
                   +0 :              -0.00001849295009
                   +1 :              -0.00001326534913
                3s
                   +0 :              -0.00030563706057
                4s
                   +0 :               0.00006581400456
                3p
                   -1 :               0.00024229514010
                   +0 :               0.00007763252524
                   +1 :               0.00000262719508
                4p
                   -1 :              -0.00004897500497
                   +0 :              -0.00003430180045
                   +1 :               0.00001868246803
                3d
                   -2 :              -0.00003678138115
                   -1 :               0.00000805011453
                   +0 :              -0.00002140690962
                   +1 :              -0.00000520850242
                   +2 :               0.00005055203787
             11 vec=    -4.977489     14.852098     -6.601898   |vec|=   16.998390
                2s
                   +0 :              -0.00009554582517
                2p
                   -1 :              -0.00003676001515
                   +0 :               0.00003181830433
                   +1 :              -0.00000878312040
                3s
                   +0 :               0.00056047256891
                4s
                   +0 :              -0.00012754682211
                3p
                   -1 :               0.00029688893270
                   +0 :              -0.00028088471973
                   +1 :               0.00005084749517
                4p
                   -1 :              -0.00003497948590
                   +0 :               0.00004713571497
                   +1 :              -0.00000149854458
                3d
                   -2 :               0.00001650531138
                   -1 :              -0.00007300452152
                   +0 :               0.00002107166737
                   +1 :               0.00000371119358
                   +2 :              -0.00004135350473
             12 vec=    10.582837    -12.099176     -6.601898   |vec|=   17.377328
                2s
                   +0 :              -0.00001192462592
                2p
                   -1 :               0.00002528462637
                   +0 :               0.00001552359763
                   +1 :              -0.00001123276238
                3s
                   +0 :              -0.00006701053211
                4s
                   +0 :              -0.00000603246155
                3p
                   -1 :              -0.00010549840255
                   +0 :              -0.00002371446016
                   +1 :              -0.00000343762657
                4p
                   -1 :               0.00003511587243
                   +0 :               0.00001392786101
                   +1 :              -0.00000202109876
                3d
                   -2 :               0.00001480600046
                   -1 :               0.00001139311003
                   +0 :               0.00000482294696
                   +1 :              -0.00001257762581
                   +2 :              -0.00001269632328
             13 vec=   -12.757651     10.360219     -6.601898   |vec|=   17.710925
                2s
                   +0 :              -0.00001260590110
                2p
                   -1 :               0.00002827239182
                   +0 :              -0.00000112863502
                   +1 :               0.00000705022615
                3s
                   +0 :               0.00006619789108
                4s
                   +0 :              -0.00001159928988
                3p
                   -1 :              -0.00012683466315
                   +0 :               0.00001259247613
                   +1 :              -0.00000467235227
                4p
                   -1 :               0.00003168016302
                   +0 :              -0.00000863934037
                   +1 :              -0.00001334661391
                3d
                   -2 :               0.00000401633082
                   -1 :               0.00001790379669
                   +0 :               0.00002083182032
                   +1 :               0.00000201059787
                   +2 :              -0.00001126150540
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al( 11)  npairs=  14
              1 vec=     2.802674      1.376461      5.671873   |vec|=    6.474548
                2s
                   +0 :              -0.00137448725249
                2p
                   -1 :               0.00057671051194
                   +0 :              -0.00123535892448
                   +1 :              -0.00067563536590
                3s
                   +0 :               0.00427212439570
                4s
                   +0 :              -0.00368160035555
                3p
                   -1 :              -0.00261719769256
                   +0 :               0.00922972720561
                   +1 :               0.00395131729599
                4p
                   -1 :               0.00011106868907
                   +0 :              -0.00379061644400
                   +1 :              -0.00149640710938
                3d
                   -2 :               0.00158906695411
                   -1 :               0.00231279347321
                   +0 :               0.00195689531094
                   +1 :              -0.00009909489867
                   +2 :              -0.00002633737094
              2 vec=    -4.977489     -3.115418      5.671873   |vec|=    8.164029
                2s
                   +0 :              -0.00051996633151
                2p
                   -1 :              -0.00067730821097
                   +0 :              -0.00024509471604
                   +1 :               0.00041407503432
                3s
                   +0 :              -0.00292060260890
                4s
                   +0 :               0.00069039107693
                3p
                   -1 :               0.00619424610077
                   +0 :               0.00256589310851
                   +1 :               0.00001312985521
                4p
                   -1 :              -0.00113991427432
                   +0 :              -0.00035364971882
                   +1 :               0.00049390343119
                3d
                   -2 :              -0.00161926639885
                   -1 :               0.00037955540336
                   +0 :               0.00147190454908
                   +1 :              -0.00132032996939
                   +2 :               0.00030350546826
              3 vec=    -4.977489      5.868340      5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00073717576289
                2p
                   -1 :               0.00070118239308
                   +0 :               0.00054218681243
                   +1 :               0.00051931803539
                3s
                   +0 :              -0.00175353220124
                4s
                   +0 :               0.00046891375462
                3p
                   -1 :              -0.00331111942668
                   +0 :              -0.00151470936960
                   +1 :              -0.00243340854694
                4p
                   -1 :               0.00063637211957
                   +0 :               0.00028616866258
                   +1 :               0.00045653984039
                3d
                   -2 :              -0.00021215510755
                   -1 :              -0.00043252692973
                   +0 :               0.00042666026900
                   +1 :              -0.00034614195025
                   +2 :               0.00034836605330
              4 vec=     2.802674     -7.607297      5.671873   |vec|=    9.894245
                2s
                   +0 :              -0.00216601898304
                2p
                   -1 :               0.00016533304164
                   +0 :               0.00026402104403
                   +1 :              -0.00184047263605
                3s
                   +0 :               0.00578708145097
                4s
                   +0 :              -0.00144668466034
                3p
                   -1 :              -0.00003381836093
                   +0 :              -0.00275587563900
                   +1 :               0.00833117000706
                4p
                   -1 :              -0.00015466827223
                   +0 :               0.00144367566058
                   +1 :              -0.00151115600394
                3d
                   -2 :              -0.00078290265990
                   -1 :               0.00064319043777
                   +0 :              -0.00093909343370
                   +1 :               0.00042161803619
                   +2 :               0.00107269872561
              5 vec=     2.802674     10.360219      5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00032357519416
                2p
                   -1 :               0.00028793389284
                   +0 :               0.00016128394662
                   +1 :               0.00000212445629
                3s
                   +0 :              -0.00087062184543
                4s
                   +0 :               0.00052089774051
                3p
                   -1 :              -0.00134330426887
                   +0 :              -0.00038033462203
                   +1 :              -0.00025987086936
                4p
                   -1 :               0.00046626533971
                   +0 :               0.00016972772807
                   +1 :               0.00007416820893
                3d
                   -2 :              -0.00008314112754
                   -1 :              -0.00014855522194
                   +0 :               0.00009868927322
                   +1 :               0.00001415190453
                   +2 :               0.00011212184702
              6 vec=    10.582837     -3.115418      5.671873   |vec|=   12.404532
                2s
                   +0 :              -0.00015837933187
                2p
                   -1 :               0.00014197875737
                   +0 :              -0.00009192720363
                   +1 :              -0.00014186852284
                3s
                   +0 :               0.00042459607002
                4s
                   +0 :              -0.00006005023835
                3p
                   -1 :              -0.00043644136193
                   +0 :               0.00016519092533
                   +1 :               0.00058541708295
                4p
                   -1 :               0.00009443467491
                   +0 :               0.00003501270251
                   +1 :              -0.00003695720009
                3d
                   -2 :              -0.00015561824172
                   -1 :              -0.00005331102449
                   +0 :              -0.00001500634306
                   +1 :               0.00021478314671
                   +2 :               0.00028598757133
              7 vec=    10.582837      5.868340      5.671873   |vec|=   13.364281
                2s
                   +0 :               0.00008975046908
                2p
                   -1 :              -0.00001692817694
                   +0 :              -0.00005065607316
                   +1 :               0.00003092410326
                3s
                   +0 :              -0.00032365427920
                4s
                   +0 :               0.00013731087757
                3p
                   -1 :              -0.00000385337056
                   +0 :               0.00014166659626
                   +1 :              -0.00020118679477
                4p
                   -1 :               0.00002424690079
                   +0 :               0.00000926466767
                   +1 :               0.00009826564259
                3d
                   -2 :              -0.00001883165607
                   -1 :              -0.00006343228156
                   +0 :               0.00004456471073
                   +1 :               0.00009524439028
                   +2 :               0.00008589643603
              8 vec=   -12.757651      1.376461      5.671873   |vec|=   14.029343
                2s
                   +0 :               0.00041211832287
                2p
                   -1 :              -0.00015965506127
                   +0 :               0.00009362088421
                   +1 :              -0.00009072250598
                3s
                   +0 :              -0.00109870551407
                4s
                   +0 :               0.00021462981305
                3p
                   -1 :               0.00074375681567
                   +0 :              -0.00040241775760
                   +1 :               0.00017359125838
                4p
                   -1 :              -0.00018668669763
                   +0 :               0.00012719573071
                   +1 :               0.00006539301014
                3d
                   -2 :              -0.00012803922622
                   -1 :               0.00019202874382
                   +0 :               0.00001362543517
                   +1 :               0.00007275497835
                   +2 :               0.00000155112183
              9 vec=    -4.977489    -12.099176      5.671873   |vec|=   14.259579
                2s
                   +0 :              -0.00004632980188
                2p
                   -1 :               0.00013664282230
                   +0 :              -0.00007182267298
                   +1 :               0.00000232093060
                3s
                   +0 :               0.00026950491509
                4s
                   +0 :              -0.00016873387364
                3p
                   -1 :              -0.00084366485347
                   +0 :               0.00024351104577
                   +1 :              -0.00000875681562
                4p
                   -1 :               0.00024807084534
                   +0 :              -0.00005340766218
                   +1 :               0.00002160452227
                3d
                   -2 :               0.00005917723404
                   -1 :              -0.00014502904417
                   +0 :              -0.00013503467043
                   +1 :               0.00009066001190
                   +2 :              -0.00004413773740
             10 vec=   -12.757651     -7.607297      5.671873   |vec|=   15.899647
                2s
                   +0 :              -0.00015736531744
                2p
                   -1 :               0.00007229795830
                   +0 :              -0.00004765718825
                   +1 :               0.00010001619028
                3s
                   +0 :               0.00049395171849
                4s
                   +0 :              -0.00012042042036
                3p
                   -1 :              -0.00038005373153
                   +0 :               0.00015530143168
                   +1 :              -0.00053199435923
                4p
                   -1 :               0.00007588788244
                   +0 :              -0.00000831045361
                   +1 :               0.00010902650281
                3d
                   -2 :               0.00012987170225
                   -1 :              -0.00007368061977
                   +0 :              -0.00007910531351
                   +1 :              -0.00004000397533
                   +2 :               0.00007976739569
             11 vec=    -4.977489     14.852098      5.671873   |vec|=   16.659243
                2s
                   +0 :               0.00007367511192
                2p
                   -1 :               0.00002556945009
                   +0 :               0.00002092812793
                   +1 :              -0.00000804144159
                3s
                   +0 :              -0.00002731130373
                4s
                   +0 :               0.00003373651715
                3p
                   -1 :               0.00003168125490
                   +0 :              -0.00007416092264
                   +1 :               0.00006443084202
                4p
                   -1 :              -0.00000045755374
                   +0 :               0.00000526555790
                   +1 :              -0.00001943121349
                3d
                   -2 :               0.00001039080242
                   -1 :              -0.00005832193341
                   +0 :              -0.00002231621751
                   +1 :               0.00000989394844
                   +2 :               0.00000471819961
             12 vec=    10.582837    -12.099176      5.671873   |vec|=   17.045722
                2s
                   +0 :              -0.00014857125525
                2p
                   -1 :               0.00005049679058
                   +0 :              -0.00004819826766
                   +1 :              -0.00008707018209
                3s
                   +0 :               0.00052675855008
                4s
                   +0 :              -0.00018702361936
                3p
                   -1 :              -0.00031200005803
                   +0 :               0.00024647855455
                   +1 :               0.00044957182743
                4p
                   -1 :               0.00009909466779
                   +0 :              -0.00005545107290
                   +1 :              -0.00009741520759
                3d
                   -2 :              -0.00008023704474
                   -1 :              -0.00006979533456
                   +0 :               0.00000610957040
                   +1 :               0.00013084950600
                   +2 :               0.00006682714766
             13 vec=   -12.757651     10.360219      5.671873   |vec|=   17.385683
                2s
                   +0 :              -0.00002982778189
                2p
                   -1 :              -0.00003746225909
                   +0 :               0.00002285646760
                   +1 :               0.00000357035585
                3s
                   +0 :               0.00008183796673
                4s
                   +0 :              -0.00002298833222
                3p
                   -1 :               0.00017299687327
                   +0 :              -0.00006897098432
                   +1 :               0.00001122889844
                4p
                   -1 :              -0.00005250328211
                   +0 :              -0.00000202384869
                   +1 :              -0.00001152314612
                3d
                   -2 :              -0.00001787274111
                   -1 :               0.00000784354118
                   +0 :               0.00001260475880
                   +1 :               0.00000171953108
                   +2 :              -0.00000223334598
             14 vec=     2.802674    -16.591055      5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00001075674702
                2p
                   -1 :              -0.00000035928286
                   +0 :               0.00001728087689
                   +1 :              -0.00001332020261
                3s
                   +0 :              -0.00014755920761
                4s
                   +0 :               0.00006054404039
                3p
                   -1 :               0.00006730676831
                   +0 :              -0.00002032886037
                   +1 :              -0.00002814461312
                4p
                   -1 :              -0.00001991030199
                   +0 :              -0.00003244680232
                   +1 :               0.00004066656976
                3d
                   -2 :              -0.00005763865023
                   -1 :               0.00000888462077
                   +0 :               0.00000224671388
                   +1 :               0.00005079604114
                   +2 :              -0.00002423385683
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site Al( 12)  npairs=  14
              1 vec=     2.802674      1.376461     -1.580453   |vec|=    3.499637
                2s
                   +0 :               0.02108756000152
                2p
                   -1 :               0.00304390748968
                   +0 :              -0.01257290429742
                   +1 :               0.01996128972981
                3s
                   +0 :               0.03509600179328
                4s
                   +0 :               0.01156199440381
                3p
                   -1 :              -0.02888685544907
                   +0 :              -0.02421637424881
                   +1 :               0.03789317717846
                4p
                   -1 :               0.00627948949578
                   +0 :              -0.00601745118484
                   +1 :               0.01037169296975
                3d
                   -2 :              -0.00749287517296
                   -1 :               0.00314315954121
                   +0 :               0.00371143811773
                   +1 :              -0.02977985973200
                   +2 :               0.03280230208108
              2 vec=    -4.977489     -3.115418     -1.580453   |vec|=    6.081040
                2s
                   +0 :               0.00151575617222
                2p
                   -1 :               0.00056279945793
                   +0 :              -0.00139811099304
                   +1 :              -0.00070238133239
                3s
                   +0 :               0.00151133262629
                4s
                   +0 :               0.00178955763925
                3p
                   -1 :              -0.00420485525864
                   +0 :               0.00817640260780
                   +1 :               0.00358688657806
                4p
                   -1 :               0.00185629840932
                   +0 :              -0.00282859128844
                   +1 :              -0.00158009992094
                3d
                   -2 :              -0.00397256852874
                   -1 :              -0.00137776587840
                   +0 :               0.00176909322226
                   +1 :              -0.00201971500589
                   +2 :              -0.00107615685444
              3 vec=    -4.977489      5.868340     -1.580453   |vec|=    7.855612
                2s
                   +0 :               0.00013766455839
                2p
                   -1 :              -0.00027786402708
                   +0 :               0.00058067594971
                   +1 :               0.00033445137882
                3s
                   +0 :               0.01477683402484
                4s
                   +0 :              -0.00017291623675
                3p
                   -1 :               0.00181399145208
                   +0 :              -0.01188596217169
                   +1 :              -0.00971212770717
                4p
                   -1 :              -0.00014696585972
                   +0 :               0.00091096875234
                   +1 :              -0.00009832643510
                3d
                   -2 :              -0.00084418938200
                   -1 :              -0.00230745943191
                   +0 :               0.00092261514267
                   +1 :               0.00436322280346
                   +2 :               0.00293839420200
              4 vec=     2.802674     -7.607297     -1.580453   |vec|=    8.259768
                2s
                   +0 :               0.00071734739827
                2p
                   -1 :               0.00023431508222
                   +0 :              -0.00052995104089
                   +1 :              -0.00125535739134
                3s
                   +0 :              -0.00847109290081
                4s
                   +0 :               0.00163055656140
                3p
                   -1 :               0.00102695762853
                   +0 :               0.00770785294128
                   +1 :               0.01132625153478
                4p
                   -1 :              -0.00016866928719
                   +0 :              -0.00119207241106
                   +1 :              -0.00174008615571
                3d
                   -2 :              -0.00393559937830
                   -1 :              -0.00209881084597
                   +0 :              -0.00125120094792
                   +1 :              -0.00298471072116
                   +2 :              -0.00109101429379
              5 vec=     2.802674     10.360219     -1.580453   |vec|=   10.848362
                2s
                   +0 :              -0.00036372552951
                2p
                   -1 :              -0.00017395460432
                   +0 :              -0.00002136367745
                   +1 :              -0.00043685373333
                3s
                   +0 :               0.00235926034450
                4s
                   +0 :              -0.00037619325960
                3p
                   -1 :               0.00122985042525
                   +0 :              -0.00061970808659
                   +1 :               0.00247407492691
                4p
                   -1 :              -0.00018259285167
                   +0 :               0.00004459147706
                   +1 :              -0.00045333387184
                3d
                   -2 :               0.00077778964538
                   -1 :              -0.00024684409474
                   +0 :              -0.00018532003529
                   +1 :              -0.00018457822846
                   +2 :               0.00007631231295
              6 vec=    10.582837     -3.115418     -1.580453   |vec|=   11.144509
                2s
                   +0 :               0.00056695508294
                2p
                   -1 :              -0.00006337778400
                   +0 :               0.00016119044038
                   +1 :               0.00010450037558
                3s
                   +0 :              -0.00333282121188
                4s
                   +0 :               0.00037565808090
                3p
                   -1 :              -0.00013395691764
                   +0 :              -0.00000226211130
                   +1 :              -0.00164749038196
                4p
                   -1 :              -0.00010820256478
                   +0 :               0.00008197606319
                   +1 :               0.00000572108612
                3d
                   -2 :              -0.00016840302179
                   -1 :               0.00049454159198
                   +0 :              -0.00019559353627
                   +1 :               0.00015382958866
                   +2 :              -0.00051801423813
              7 vec=    10.582837      5.868340     -1.580453   |vec|=   12.203757
                2s
                   +0 :               0.00010016890767
                2p
                   -1 :               0.00014664263306
                   +0 :              -0.00013700840950
                   +1 :               0.00002463199582
                3s
                   +0 :               0.00019454659283
                4s
                   +0 :               0.00007722387137
                3p
                   -1 :              -0.00026233751545
                   +0 :               0.00027705596038
                   +1 :               0.00016093720658
                4p
                   -1 :               0.00022032194015
                   +0 :              -0.00012286048730
                   +1 :              -0.00007176473409
                3d
                   -2 :               0.00008672565006
                   -1 :              -0.00003833677260
                   +0 :              -0.00000497800923
                   +1 :               0.00007544900861
                   +2 :              -0.00017090671791
              8 vec=   -12.757651      1.376461     -1.580453   |vec|=   12.928656
                2s
                   +0 :              -0.00021147168008
                2p
                   -1 :               0.00004403379112
                   +0 :               0.00004014135751
                   +1 :              -0.00002270344726
                3s
                   +0 :               0.00055559254141
                4s
                   +0 :              -0.00007975900144
                3p
                   -1 :              -0.00022208669521
                   +0 :              -0.00039320381577
                   +1 :               0.00020282922769
                4p
                   -1 :               0.00009738476167
                   +0 :               0.00012502417515
                   +1 :              -0.00011836227497
                3d
                   -2 :               0.00011402303836
                   -1 :              -0.00012665529358
                   +0 :              -0.00005268094131
                   +1 :               0.00005413055521
                   +2 :              -0.00011054016892
              9 vec=    -4.977489    -12.099176     -1.580453   |vec|=   13.178136
                2s
                   +0 :               0.00017936063944
                2p
                   -1 :               0.00008851039839
                   +0 :              -0.00010313334020
                   +1 :              -0.00013817883847
                3s
                   +0 :              -0.00286356652159
                4s
                   +0 :               0.00009735071236
                3p
                   -1 :               0.00124639322330
                   +0 :               0.00237035546790
                   +1 :               0.00009646601287
                4p
                   -1 :               0.00018725887535
                   +0 :              -0.00036774772491
                   +1 :              -0.00007529306368
                3d
                   -2 :               0.00017899129367
                   -1 :              -0.00104556021946
                   +0 :              -0.00025377745800
                   +1 :               0.00000103814835
                   +2 :               0.00034225748851
             10 vec=   -12.757651     -7.607297     -1.580453   |vec|=   14.937418
                2s
                   +0 :               0.00006529292562
                2p
                   -1 :               0.00001069677916
                   +0 :               0.00001014091785
                   +1 :               0.00003444445652
                3s
                   +0 :              -0.00026324373341
                4s
                   +0 :              -0.00003034772242
                3p
                   -1 :              -0.00018553168846
                   +0 :               0.00003251134488
                   +1 :              -0.00020971552630
                4p
                   -1 :               0.00003373986251
                   +0 :               0.00003136878002
                   +1 :               0.00011326012691
                3d
                   -2 :               0.00004166601752
                   -1 :               0.00009194471767
                   +0 :              -0.00002337209348
                   +1 :              -0.00001584061667
                   +2 :               0.00005185483931
             11 vec=    -4.977489     14.852098     -1.580453   |vec|=   15.743508
                2s
                   +0 :              -0.00012615713681
                2p
                   -1 :              -0.00007051233154
                   +0 :               0.00002979863030
                   +1 :               0.00000768290893
                3s
                   +0 :               0.00044057810573
                4s
                   +0 :              -0.00017246777885
                3p
                   -1 :               0.00043702542213
                   +0 :              -0.00022422837399
                   +1 :              -0.00000865318302
                4p
                   -1 :              -0.00011295018418
                   +0 :               0.00006254238763
                   +1 :              -0.00000373459095
                3d
                   -2 :               0.00000164482082
                   -1 :              -0.00004887086235
                   +0 :              -0.00008160516712
                   +1 :               0.00000364781824
                   +2 :              -0.00012436164920
             12 vec=    10.582837    -12.099176     -1.580453   |vec|=   16.151913
                2s
                   +0 :               0.00001365094552
                2p
                   -1 :               0.00000104134171
                   +0 :               0.00000595915805
                   +1 :              -0.00003033775128
                3s
                   +0 :               0.00007379612238
                4s
                   +0 :              -0.00011509128849
                3p
                   -1 :              -0.00014437814759
                   +0 :              -0.00004348829134
                   +1 :               0.00027280341459
                4p
                   -1 :               0.00007518338497
                   +0 :               0.00003428727369
                   +1 :              -0.00015526202803
                3d
                   -2 :               0.00001882944915
                   -1 :              -0.00001346437964
                   +0 :               0.00004492043737
                   +1 :               0.00001700903844
                   +2 :               0.00006505366016
             13 vec=   -12.757651     10.360219     -1.580453   |vec|=   16.510289
                2s
                   +0 :              -0.00001147416145
                2p
                   -1 :              -0.00000808022513
                   +0 :               0.00002446357460
                   +1 :               0.00000321218714
                3s
                   +0 :              -0.00004257417955
                4s
                   +0 :               0.00000566664953
                3p
                   -1 :              -0.00001992385090
                   +0 :              -0.00008244153178
                   +1 :               0.00010018445276
                4p
                   -1 :               0.00000573951351
                   +0 :               0.00002243283340
                   +1 :              -0.00000895098205
                3d
                   -2 :               0.00000822906625
                   -1 :              -0.00000049935039
                   +0 :               0.00000422079080
                   +1 :               0.00000223825530
                   +2 :              -0.00001773428788
             14 vec=     2.802674    -16.591055     -1.580453   |vec|=   16.900175
                2s
                   +0 :              -0.00000248260981
                2p
                   -1 :              -0.00000000190034
                   +0 :               0.00001578549106
                   +1 :              -0.00001543046032
                3s
                   +0 :              -0.00027257205638
                4s
                   +0 :               0.00011168602276
                3p
                   -1 :               0.00018364278385
                   +0 :               0.00005297763629
                   +1 :               0.00007662286854
                4p
                   -1 :              -0.00007308808661
                   +0 :               0.00000058765267
                   +1 :              -0.00003331851786
                3d
                   -2 :              -0.00002093966176
                   -1 :              -0.00003544048218
                   +0 :              -0.00000411872521
                   +1 :              -0.00000215920872
                   +2 :               0.00000778680344
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 13)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00003073956853
                2s
                   +0 :               0.00019240367374
                3s
                   +0 :              -0.00027714209772
                2p
                   -1 :              -0.00198329666238
                   +0 :               0.00059295978684
                   +1 :               0.00206352032879
                3p
                   -1 :               0.00180780940968
                   +0 :              -0.00037990617781
                   +1 :              -0.00122514938161
                3d
                   -2 :               0.00012566073898
                   -1 :              -0.00016902094645
                   +0 :               0.00007980537574
                   +1 :               0.00003545778811
                   +2 :               0.00003494480865
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00012396948082
                2s
                   +0 :               0.00161579742185
                3s
                   +0 :               0.00020219670905
                2p
                   -1 :               0.00107446472082
                   +0 :              -0.00354160503668
                   +1 :               0.00188234627471
                3p
                   -1 :              -0.00003540820563
                   +0 :               0.00033982661237
                   +1 :               0.00012726760409
                3d
                   -2 :               0.00004606111255
                   -1 :              -0.00012464173347
                   +0 :               0.00003116459919
                   +1 :              -0.00016936775021
                   +2 :               0.00003509005786
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00024719728292
                2s
                   +0 :              -0.00190778540570
                3s
                   +0 :               0.00047054673474
                2p
                   -1 :              -0.00386055192821
                   +0 :               0.00261906791965
                   +1 :               0.00192015529218
                3p
                   -1 :               0.00224202877444
                   +0 :              -0.00093646648139
                   +1 :              -0.00055392292772
                3d
                   -2 :               0.00000554433529
                   -1 :              -0.00011420844974
                   +0 :              -0.00006236561106
                   +1 :               0.00003707382091
                   +2 :               0.00003340719631
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00001876353204
                2s
                   +0 :              -0.00017162839358
                3s
                   +0 :               0.00002328453058
                2p
                   -1 :               0.00031418189560
                   +0 :              -0.00005931745200
                   +1 :              -0.00024650314609
                3p
                   -1 :              -0.00026487027277
                   +0 :              -0.00007072270612
                   +1 :               0.00013448226893
                3d
                   -2 :              -0.00000982851545
                   -1 :               0.00002412342480
                   +0 :              -0.00001768096911
                   +1 :              -0.00001008813831
                   +2 :              -0.00001622385734
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001783633940
                2s
                   +0 :              -0.00021448466324
                3s
                   +0 :               0.00005113200500
                2p
                   -1 :               0.00007823076043
                   +0 :              -0.00021452614824
                   +1 :               0.00019884850317
                3p
                   -1 :              -0.00007904362309
                   +0 :               0.00021095334618
                   +1 :              -0.00018971056176
                3d
                   -2 :               0.00002080767024
                   -1 :              -0.00000222574645
                   +0 :              -0.00002065970039
                   +1 :               0.00000488689758
                   +2 :              -0.00002597599159
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00001813180015
                2s
                   +0 :               0.00047212893008
                3s
                   +0 :               0.00000066378163
                2p
                   -1 :               0.00028997112122
                   +0 :              -0.00001833780370
                   +1 :              -0.00052454039196
                3p
                   -1 :              -0.00006090006611
                   +0 :              -0.00016473059802
                   +1 :               0.00015245143057
                3d
                   -2 :              -0.00000757262548
                   -1 :              -0.00000769174992
                   +0 :               0.00004132409742
                   +1 :               0.00000808936536
                   +2 :               0.00000142153830
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000549832906
                2s
                   +0 :              -0.00002913087388
                3s
                   +0 :              -0.00003013614149
                2p
                   -1 :               0.00001028388881
                   +0 :               0.00003976334062
                   +1 :              -0.00007771300089
                3p
                   -1 :               0.00001087343568
                   +0 :               0.00003014327295
                   +1 :               0.00004288749525
                3d
                   -2 :              -0.00000539841253
                   -1 :              -0.00001117967758
                   +0 :              -0.00001174085507
                   +1 :              -0.00000032557739
                   +2 :               0.00001278025654
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00001102511628
                2s
                   +0 :              -0.00013945422894
                3s
                   +0 :               0.00001456367880
                2p
                   -1 :              -0.00000630769034
                   +0 :               0.00006355942535
                   +1 :               0.00006316728013
                3p
                   -1 :               0.00007764642427
                   +0 :              -0.00003982542982
                   +1 :              -0.00007660028237
                3d
                   -2 :               0.00000901957917
                   -1 :              -0.00000126043566
                   +0 :               0.00000007125923
                   +1 :              -0.00000666631505
                   +2 :              -0.00000411372984
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00003491928648
                2s
                   +0 :               0.00020915164728
                3s
                   +0 :              -0.00010085484068
                2p
                   -1 :               0.00000456262953
                   +0 :              -0.00009013647416
                   +1 :               0.00010953824415
                3p
                   -1 :              -0.00001524033241
                   +0 :               0.00008381378629
                   +1 :              -0.00006410881034
                3d
                   -2 :              -0.00001149424447
                   -1 :               0.00000292910773
                   +0 :              -0.00000439792402
                   +1 :               0.00000209423781
                   +2 :               0.00000870628315
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00002648346226
                2s
                   +0 :               0.00015937410590
                3s
                   +0 :              -0.00002112929284
                2p
                   -1 :               0.00034414699298
                   +0 :              -0.00004805587381
                   +1 :              -0.00018443048724
                3p
                   -1 :              -0.00021153553815
                   +0 :              -0.00002152045322
                   +1 :               0.00013516790040
                3d
                   -2 :              -0.00000011707204
                   -1 :               0.00000117958294
                   +0 :               0.00001021633291
                   +1 :              -0.00000575377640
                   +2 :               0.00000753682369
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00002186113754
                2s
                   +0 :              -0.00013899383602
                3s
                   +0 :               0.00004879089998
                2p
                   -1 :              -0.00016049842456
                   +0 :               0.00006488561717
                   +1 :               0.00023461443498
                3p
                   -1 :               0.00014274805319
                   +0 :              -0.00005629544443
                   +1 :              -0.00017135833473
                3d
                   -2 :              -0.00000926425922
                   -1 :              -0.00000009212439
                   +0 :               0.00000018636146
                   +1 :              -0.00000477123794
                   +2 :               0.00000537991667
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00002624423483
                2s
                   +0 :              -0.00014385678448
                3s
                   +0 :               0.00009616061950
                2p
                   -1 :              -0.00002106175296
                   +0 :              -0.00003252200437
                   +1 :              -0.00002881615512
                3p
                   -1 :               0.00002247456554
                   +0 :               0.00004263512929
                   +1 :               0.00001128828408
                3d
                   -2 :               0.00000110528003
                   -1 :              -0.00000395616349
                   +0 :              -0.00000537190447
                   +1 :               0.00000331163574
                   +2 :               0.00000454770572
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000921581414
                2s
                   +0 :               0.00004160607297
                3s
                   +0 :              -0.00003084870581
                2p
                   -1 :               0.00000838007212
                   +0 :              -0.00000502803050
                   +1 :              -0.00008783500345
                3p
                   -1 :              -0.00001696022629
                   +0 :              -0.00002914476175
                   +1 :               0.00005275770767
                3d
                   -2 :               0.00000261511010
                   -1 :              -0.00000119286876
                   +0 :               0.00000267904680
                   +1 :              -0.00000126637794
                   +2 :              -0.00000354687692
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00000369583315
                2s
                   +0 :              -0.00003216252383
                3s
                   +0 :               0.00000156320511
                2p
                   -1 :               0.00000581383306
                   +0 :              -0.00002775308841
                   +1 :              -0.00006256669439
                3p
                   -1 :              -0.00002017912463
                   +0 :              -0.00001246660040
                   +1 :               0.00001426102113
                3d
                   -2 :              -0.00000057329452
                   -1 :               0.00000181582145
                   +0 :              -0.00000359476652
                   +1 :              -0.00000335973063
                   +2 :              -0.00000181453556
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000532570361
                2s
                   +0 :               0.00007004351208
                3s
                   +0 :              -0.00000943165415
                2p
                   -1 :              -0.00006983718834
                   +0 :               0.00000226670988
                   +1 :               0.00002609756976
                3p
                   -1 :               0.00002138664069
                   +0 :               0.00002660100518
                   +1 :              -0.00001861755164
                3d
                   -2 :              -0.00000076798843
                   -1 :              -0.00000527647678
                   +0 :               0.00000532250017
                   +1 :              -0.00000102064124
                   +2 :               0.00000020111791
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 14)  npairs=  15
              1 vec=    -2.174555     -4.491729     -8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00011653310244
                2s
                   +0 :               0.00017381008527
                3s
                   +0 :              -0.00040402971918
                2p
                   -1 :               0.00116502602883
                   +0 :               0.00070969902131
                   +1 :              -0.00187264578780
                3p
                   -1 :              -0.00036832943478
                   +0 :               0.00024259517859
                   +1 :               0.00067561764459
                3d
                   -2 :              -0.00004569751524
                   -1 :              -0.00009345251709
                   +0 :               0.00010352609642
                   +1 :              -0.00002427281048
                   +2 :              -0.00011052007010
              2 vec=    -2.174555      4.492029     -8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00018689920381
                2s
                   +0 :               0.00181371659877
                3s
                   +0 :              -0.00004449072204
                2p
                   -1 :               0.00045456007537
                   +0 :              -0.00228214093715
                   +1 :              -0.00137845364624
                3p
                   -1 :               0.00016261959754
                   +0 :              -0.00006495944911
                   +1 :              -0.00046892468403
                3d
                   -2 :              -0.00012163742492
                   -1 :              -0.00007188806570
                   +0 :               0.00001474310685
                   +1 :               0.00014259475095
                   +2 :               0.00000921821331
              3 vec=     5.605607      0.000150     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00019705093176
                2s
                   +0 :              -0.00190947197790
                3s
                   +0 :               0.00039580424420
                2p
                   -1 :               0.00018457655330
                   +0 :               0.00235441015670
                   +1 :              -0.00196974564660
                3p
                   -1 :              -0.00079168858282
                   +0 :              -0.00069076451198
                   +1 :               0.00082364915564
                3d
                   -2 :               0.00000278561580
                   -1 :               0.00005306587000
                   +0 :              -0.00013504321800
                   +1 :              -0.00003338959839
                   +2 :               0.00000896867077
              4 vec=    -9.954718      0.000150     -8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00000238338140
                2s
                   +0 :              -0.00000028330036
                3s
                   +0 :              -0.00003258742333
                2p
                   -1 :               0.00064239402902
                   +0 :              -0.00014973552950
                   +1 :               0.00032761850579
                3p
                   -1 :              -0.00047108513112
                   +0 :              -0.00007632149342
                   +1 :              -0.00023924270579
                3d
                   -2 :               0.00002343382361
                   -1 :               0.00003710624054
                   +0 :               0.00002398065295
                   +1 :               0.00000672721412
                   +2 :              -0.00002754871343
              5 vec=     5.605607     -8.983608     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00005131709540
                2s
                   +0 :              -0.00069788865140
                3s
                   +0 :               0.00020071582969
                2p
                   -1 :               0.00020421859590
                   +0 :               0.00044604078042
                   +1 :               0.00001711915844
                3p
                   -1 :              -0.00002283331537
                   +0 :              -0.00011767932813
                   +1 :              -0.00006769780232
                3d
                   -2 :              -0.00003105929265
                   -1 :               0.00001606366124
                   +0 :               0.00000442970210
                   +1 :              -0.00001602430125
                   +2 :               0.00003215265082
              6 vec=     5.605607      8.983908     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00002956626867
                2s
                   +0 :               0.00013056784977
                3s
                   +0 :               0.00008456073681
                2p
                   -1 :               0.00014516912508
                   +0 :               0.00029309732629
                   +1 :              -0.00010744407276
                3p
                   -1 :               0.00006483789726
                   +0 :              -0.00027489740570
                   +1 :               0.00035150116205
                3d
                   -2 :               0.00002245397778
                   -1 :               0.00002067169197
                   +0 :               0.00000634010854
                   +1 :               0.00000100276342
                   +2 :               0.00002416283565
              7 vec=    -9.954718     -8.983608     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00000548557377
                2s
                   +0 :              -0.00000096106481
                3s
                   +0 :              -0.00004235102530
                2p
                   -1 :               0.00010117429125
                   +0 :               0.00014409883461
                   +1 :               0.00007923689329
                3p
                   -1 :              -0.00011855241603
                   +0 :              -0.00005064483906
                   +1 :              -0.00002966025951
                3d
                   -2 :               0.00000633648957
                   -1 :               0.00001085331288
                   +0 :              -0.00000335365899
                   +1 :              -0.00001284445049
                   +2 :              -0.00000255757763
              8 vec=    -9.954718      8.983908     -8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00001938533064
                2s
                   +0 :               0.00016356216217
                3s
                   +0 :              -0.00003711981574
                2p
                   -1 :              -0.00011595874545
                   +0 :              -0.00010414232651
                   +1 :              -0.00017281191526
                3p
                   -1 :               0.00010513679883
                   +0 :               0.00000642796078
                   +1 :               0.00006883755723
                3d
                   -2 :               0.00000014626320
                   -1 :              -0.00001706420317
                   +0 :              -0.00000541738429
                   +1 :              -0.00000605157564
                   +2 :              -0.00000933959288
              9 vec=    -2.174555    -13.475487     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00004639169832
                2s
                   +0 :               0.00025553947343
                3s
                   +0 :              -0.00016830525640
                2p
                   -1 :              -0.00010761598620
                   +0 :              -0.00013744864637
                   +1 :               0.00003381566778
                3p
                   -1 :               0.00012179085616
                   +0 :               0.00009571733344
                   +1 :              -0.00000590979781
                3d
                   -2 :              -0.00000800722856
                   -1 :              -0.00000749227427
                   +0 :              -0.00000643224353
                   +1 :               0.00000455097301
                   +2 :              -0.00000037103544
             10 vec=    -2.174555     13.475787     -8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00000887557645
                2s
                   +0 :              -0.00003154607684
                3s
                   +0 :               0.00005578802026
                2p
                   -1 :               0.00012257294797
                   +0 :              -0.00003572161057
                   +1 :               0.00018738360599
                3p
                   -1 :              -0.00005661795205
                   +0 :              -0.00003861389569
                   +1 :              -0.00012672672136
                3d
                   -2 :              -0.00000122319850
                   -1 :              -0.00000452643207
                   +0 :               0.00000859431523
                   +1 :               0.00001739142408
                   +2 :               0.00001795742996
             11 vec=    13.385770     -4.491729     -8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00000950936420
                2s
                   +0 :               0.00004090164193
                3s
                   +0 :              -0.00003928888497
                2p
                   -1 :              -0.00002375340072
                   +0 :               0.00007728682595
                   +1 :               0.00002162526658
                3p
                   -1 :               0.00001653376026
                   +0 :              -0.00004768126243
                   +1 :              -0.00007003181448
                3d
                   -2 :               0.00000273423602
                   -1 :               0.00000175413996
                   +0 :               0.00001380582715
                   +1 :               0.00000166044250
                   +2 :              -0.00000591477922
             12 vec=    13.385770      4.492029     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00004319893652
                2s
                   +0 :              -0.00023026311278
                3s
                   +0 :               0.00013713544322
                2p
                   -1 :               0.00010293709988
                   +0 :               0.00006175367292
                   +1 :              -0.00007796420993
                3p
                   -1 :              -0.00010252566212
                   +0 :              -0.00005819658661
                   +1 :               0.00010099937875
                3d
                   -2 :               0.00000034443041
                   -1 :               0.00000445060267
                   +0 :               0.00000360386651
                   +1 :              -0.00000925972857
                   +2 :               0.00000493405532
             13 vec=    -2.174555     -4.491729     16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00000781185977
                2s
                   +0 :              -0.00007235919155
                3s
                   +0 :               0.00003129550185
                2p
                   -1 :              -0.00001518697778
                   +0 :              -0.00003290115507
                   +1 :              -0.00001163703453
                3p
                   -1 :              -0.00000727413741
                   +0 :              -0.00000131041465
                   +1 :               0.00002917077667
                3d
                   -2 :               0.00000488164870
                   -1 :              -0.00000275046937
                   +0 :              -0.00000264813111
                   +1 :               0.00000015579746
                   +2 :               0.00000019980396
             14 vec=    -2.174555      4.492029     16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00001227095877
                2s
                   +0 :              -0.00011975928333
                3s
                   +0 :               0.00002767734947
                2p
                   -1 :              -0.00004961182640
                   +0 :              -0.00012967353935
                   +1 :               0.00004650340390
                3p
                   -1 :               0.00003805742531
                   +0 :               0.00004104127984
                   +1 :              -0.00003235240437
                3d
                   -2 :               0.00000115032084
                   -1 :               0.00000315138360
                   +0 :              -0.00000397729850
                   +1 :              -0.00000395007021
                   +2 :              -0.00000092448220
             15 vec=     5.605607      0.000150     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000397376560
                2s
                   +0 :               0.00007496835118
                3s
                   +0 :              -0.00000069482154
                2p
                   -1 :              -0.00016300371936
                   +0 :              -0.00002911676736
                   +1 :              -0.00001975326950
                3p
                   -1 :               0.00007171026923
                   +0 :               0.00008838882082
                   +1 :              -0.00000491439276
                3d
                   -2 :              -0.00000102036930
                   -1 :              -0.00000277224156
                   +0 :               0.00000552960498
                   +1 :              -0.00000154806730
                   +2 :              -0.00000011855095
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 15)  npairs=  14
              1 vec=     0.209286     -0.362794     -8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00010952219264
                2s
                   +0 :               0.00048662594029
                3s
                   +0 :              -0.00036044906041
                2p
                   -1 :              -0.00073325518439
                   +0 :              -0.00002632538242
                   +1 :               0.00069417039532
                3p
                   -1 :              -0.00090164254905
                   +0 :              -0.00042508693524
                   +1 :              -0.00065104867441
                3d
                   -2 :              -0.00003224141185
                   -1 :               0.00009270148561
                   +0 :               0.00023648122625
                   +1 :               0.00008042438791
                   +2 :               0.00004546301718
              2 vec=     0.209286      8.620964     -8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00003748357534
                2s
                   +0 :               0.00036042798809
                3s
                   +0 :               0.00028166884473
                2p
                   -1 :              -0.00023964166694
                   +0 :              -0.00055395982858
                   +1 :               0.00056060796515
                3p
                   -1 :               0.00045189098266
                   +0 :              -0.00019704959276
                   +1 :              -0.00031314493795
                3d
                   -2 :              -0.00000353991091
                   -1 :              -0.00001909856882
                   +0 :               0.00000137548823
                   +1 :              -0.00001880642740
                   +2 :              -0.00000076973966
              3 vec=    -7.570876      4.129085     -8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00006769669367
                2s
                   +0 :              -0.00051028276933
                3s
                   +0 :               0.00022944429847
                2p
                   -1 :              -0.00016725971841
                   +0 :               0.00033289383882
                   +1 :              -0.00058283102406
                3p
                   -1 :              -0.00010311672173
                   +0 :              -0.00022496547080
                   +1 :               0.00047788656657
                3d
                   -2 :               0.00004563375554
                   -1 :              -0.00000416843121
                   +0 :               0.00001527717553
                   +1 :              -0.00004839649337
                   +2 :               0.00001545349183
              4 vec=     7.989449      4.129085     -8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00009417727475
                2s
                   +0 :              -0.00043182627740
                3s
                   +0 :               0.00026704109523
                2p
                   -1 :              -0.00131502319924
                   +0 :               0.00014422497779
                   +1 :               0.00059290965508
                3p
                   -1 :               0.00093027576376
                   +0 :              -0.00015326744517
                   +1 :              -0.00033193569704
                3d
                   -2 :              -0.00000770882481
                   -1 :              -0.00006010799069
                   +0 :               0.00001428590475
                   +1 :               0.00002507864949
                   +2 :              -0.00003569509336
              5 vec=    -7.570876     -4.854673     -8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00007849106963
                2s
                   +0 :              -0.00080897398733
                3s
                   +0 :               0.00029501601727
                2p
                   -1 :               0.00055004305390
                   +0 :               0.00024189473109
                   +1 :              -0.00005968037051
                3p
                   -1 :              -0.00057208984515
                   +0 :               0.00002453095543
                   +1 :               0.00038149685880
                3d
                   -2 :               0.00008781455115
                   -1 :               0.00002318348660
                   +0 :              -0.00003054758503
                   +1 :               0.00000878650341
                   +2 :              -0.00004710295718
              6 vec=     7.989449     -4.854673     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00005985856918
                2s
                   +0 :              -0.00059441387855
                3s
                   +0 :               0.00011214485493
                2p
                   -1 :              -0.00010749714520
                   +0 :              -0.00000234008592
                   +1 :              -0.00080139420465
                3p
                   -1 :               0.00003142775605
                   +0 :               0.00031407345402
                   +1 :               0.00043623140371
                3d
                   -2 :              -0.00000604205604
                   -1 :               0.00002417665172
                   +0 :              -0.00001627949908
                   +1 :               0.00004944322053
                   +2 :               0.00002438682924
              7 vec=     0.209286     -9.346552     -8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00000692789299
                2s
                   +0 :              -0.00009831701389
                3s
                   +0 :              -0.00004038363391
                2p
                   -1 :               0.00112485093419
                   +0 :               0.00084311533726
                   +1 :               0.00029003386245
                3p
                   -1 :              -0.00076666666513
                   +0 :              -0.00061285416103
                   +1 :              -0.00030238742135
                3d
                   -2 :               0.00002962504389
                   -1 :               0.00004867255120
                   +0 :               0.00000728303640
                   +1 :               0.00002162956125
                   +2 :              -0.00002292650587
              8 vec=     0.209286     -0.362794     16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000436946522
                2s
                   +0 :               0.00003304141681
                3s
                   +0 :              -0.00001973102591
                2p
                   -1 :               0.00002936425173
                   +0 :               0.00001987432962
                   +1 :              -0.00000597811197
                3p
                   -1 :              -0.00003519034338
                   +0 :              -0.00001685285139
                   +1 :              -0.00001150531144
                3d
                   -2 :               0.00000144070291
                   -1 :              -0.00000879804993
                   +0 :              -0.00000018643822
                   +1 :              -0.00000072820716
                   +2 :               0.00000410747222
              9 vec=    -7.570876     13.112843     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00002391122646
                2s
                   +0 :               0.00021664279394
                3s
                   +0 :              -0.00004328590984
                2p
                   -1 :               0.00005599020843
                   +0 :              -0.00007839694401
                   +1 :              -0.00011342093728
                3p
                   -1 :               0.00002290407812
                   +0 :               0.00004074945669
                   +1 :               0.00002219023715
                3d
                   -2 :              -0.00000770656120
                   -1 :               0.00000021815018
                   +0 :              -0.00000079493351
                   +1 :               0.00000404114883
                   +2 :              -0.00000451239790
             10 vec=     7.989449     13.112843     -8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00002672373898
                2s
                   +0 :               0.00020435792133
                3s
                   +0 :              -0.00007333077748
                2p
                   -1 :               0.00021356772428
                   +0 :              -0.00006849824158
                   +1 :               0.00005927128443
                3p
                   -1 :              -0.00013735827813
                   +0 :               0.00002915572696
                   +1 :               0.00000185816718
                3d
                   -2 :               0.00000300941068
                   -1 :               0.00000452852306
                   +0 :              -0.00000169634843
                   +1 :              -0.00000782163633
                   +2 :               0.00000528468409
             11 vec=   -15.351039     -0.362794     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000299337319
                2s
                   +0 :              -0.00003657833610
                3s
                   +0 :               0.00000449138696
                2p
                   -1 :               0.00003982513609
                   +0 :               0.00003545492143
                   +1 :               0.00005638835242
                3p
                   -1 :              -0.00006209489413
                   +0 :              -0.00000848010444
                   +1 :              -0.00003603612807
                3d
                   -2 :               0.00000207164755
                   -1 :              -0.00000014817213
                   +0 :              -0.00000101912214
                   +1 :              -0.00000134645598
                   +2 :              -0.00000434835810
             12 vec=    15.769612     -0.362794     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000120068726
                2s
                   +0 :              -0.00001704269156
                3s
                   +0 :              -0.00000967736297
                2p
                   -1 :               0.00002660996396
                   +0 :               0.00008051405801
                   +1 :               0.00000354038776
                3p
                   -1 :              -0.00004556996479
                   +0 :              -0.00004716889523
                   +1 :              -0.00003406770297
                3d
                   -2 :               0.00000130618346
                   -1 :               0.00000160958383
                   +0 :              -0.00000024068733
                   +1 :               0.00000024417605
                   +2 :              -0.00000116502148
             13 vec=    -7.570876    -13.838431     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000013970977
                2s
                   +0 :              -0.00000534924372
                3s
                   +0 :              -0.00002808573397
                2p
                   -1 :               0.00008598924211
                   +0 :               0.00006470954891
                   +1 :              -0.00001402575942
                3p
                   -1 :              -0.00001097885805
                   +0 :               0.00000576206965
                   +1 :               0.00001397786429
                3d
                   -2 :              -0.00000100941681
                   -1 :              -0.00000298767353
                   +0 :               0.00000002962796
                   +1 :              -0.00000042770112
                   +2 :               0.00000114536714
             14 vec=     7.989449    -13.838431     -8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00000985570276
                2s
                   +0 :              -0.00008471905207
                3s
                   +0 :               0.00002706021888
                2p
                   -1 :               0.00009896486724
                   +0 :               0.00001104746028
                   +1 :              -0.00002899629762
                3p
                   -1 :              -0.00003171110622
                   +0 :               0.00001217453578
                   +1 :               0.00001000209941
                3d
                   -2 :              -0.00000133001429
                   -1 :               0.00000313986051
                   +0 :              -0.00000265624460
                   +1 :              -0.00000296385902
                   +2 :               0.00000054937209
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 16)  npairs=  14
              1 vec=    -2.174555     -1.739106      4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00144771907373
                2s
                   +0 :              -0.03473828905351
                3s
                   +0 :               0.00335175771627
                2p
                   -1 :               0.00009464726656
                   +0 :              -0.02150256182608
                   +1 :               0.00982005083313
                3p
                   -1 :              -0.00555172158081
                   +0 :               0.00137366692227
                   +1 :              -0.00053723116668
                3d
                   -2 :               0.00009910564780
                   -1 :              -0.00111984266917
                   +0 :              -0.00166571004921
                   +1 :               0.00126611195015
                   +2 :              -0.00111427287085
              2 vec=     5.605607      2.752773      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00019457584347
                2s
                   +0 :               0.00145021701868
                3s
                   +0 :              -0.00079057128106
                2p
                   -1 :               0.00171746045279
                   +0 :              -0.00097304898073
                   +1 :               0.00186555487608
                3p
                   -1 :              -0.00153576335331
                   +0 :               0.00163710806406
                   +1 :              -0.00049085314321
                3d
                   -2 :              -0.00012649611313
                   -1 :              -0.00004393740927
                   +0 :               0.00022094976639
                   +1 :              -0.00015652483666
                   +2 :              -0.00014893373097
              3 vec=    -2.174555      7.244652      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00028146610155
                2s
                   +0 :               0.00088334664248
                3s
                   +0 :              -0.00013221186284
                2p
                   -1 :               0.00180268783032
                   +0 :              -0.00260053103470
                   +1 :              -0.00056062253422
                3p
                   -1 :              -0.00067597311129
                   +0 :               0.00273361722879
                   +1 :               0.00024632543043
                3d
                   -2 :               0.00003740896358
                   -1 :               0.00006354506381
                   +0 :               0.00020632887536
                   +1 :               0.00002157754473
                   +2 :               0.00007037334277
              4 vec=     5.605607     -6.230985      4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00068446818183
                2s
                   +0 :              -0.00407420846472
                3s
                   +0 :               0.00162262385212
                2p
                   -1 :               0.00036971441585
                   +0 :              -0.00159903553586
                   +1 :              -0.00245633780459
                3p
                   -1 :              -0.00007489271746
                   +0 :              -0.00017312252667
                   +1 :               0.00167298292780
                3d
                   -2 :              -0.00020386815357
                   -1 :              -0.00010764703252
                   +0 :              -0.00019405420463
                   +1 :              -0.00004969575287
                   +2 :               0.00007531286171
              5 vec=    -9.954718      2.752773      4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00006203759383
                2s
                   +0 :               0.00062064120793
                3s
                   +0 :              -0.00030569618999
                2p
                   -1 :              -0.00005645349409
                   +0 :               0.00023699526297
                   +1 :              -0.00181940444641
                3p
                   -1 :              -0.00013957856039
                   +0 :              -0.00018703468770
                   +1 :               0.00154651715983
                3d
                   -2 :               0.00007752200665
                   -1 :              -0.00001203207386
                   +0 :               0.00017568863616
                   +1 :              -0.00003130565731
                   +2 :              -0.00011917746808
              6 vec=    -2.174555    -10.722864      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00006025990969
                2s
                   +0 :               0.00007460096899
                3s
                   +0 :              -0.00017146681975
                2p
                   -1 :              -0.00023824788244
                   +0 :               0.00027877966598
                   +1 :               0.00056026256771
                3p
                   -1 :               0.00048512388199
                   +0 :              -0.00026234700199
                   +1 :              -0.00055024823870
                3d
                   -2 :              -0.00006874291372
                   -1 :              -0.00000305403701
                   +0 :               0.00010026213171
                   +1 :               0.00008202094526
                   +2 :               0.00011783955322
              7 vec=    -9.954718     -6.230985      4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00002573482304
                2s
                   +0 :              -0.00034568808630
                3s
                   +0 :               0.00011562768593
                2p
                   -1 :               0.00008370859551
                   +0 :              -0.00008154607520
                   +1 :               0.00088065461517
                3p
                   -1 :               0.00001063647234
                   +0 :               0.00028839872956
                   +1 :              -0.00077533895007
                3d
                   -2 :              -0.00001302361558
                   -1 :              -0.00003545494539
                   +0 :              -0.00000028489603
                   +1 :              -0.00005227120969
                   +2 :               0.00003739339603
              8 vec=     5.605607     11.736531      4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00000685180075
                2s
                   +0 :               0.00049091635954
                3s
                   +0 :               0.00012195441660
                2p
                   -1 :               0.00008825377675
                   +0 :               0.00030601968195
                   +1 :               0.00015781522792
                3p
                   -1 :               0.00023670063916
                   +0 :               0.00013192836060
                   +1 :              -0.00004086027319
                3d
                   -2 :               0.00002755228654
                   -1 :               0.00002296103620
                   +0 :              -0.00000569598893
                   +1 :               0.00000566074989
                   +2 :              -0.00001600567201
              9 vec=    13.385770     -1.739106      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00002725436490
                2s
                   +0 :              -0.00022958562714
                3s
                   +0 :               0.00005022005734
                2p
                   -1 :              -0.00011516775193
                   +0 :               0.00005474492515
                   +1 :               0.00006092383656
                3p
                   -1 :               0.00007795990395
                   +0 :              -0.00005867725744
                   +1 :              -0.00017677221519
                3d
                   -2 :               0.00000084997071
                   -1 :               0.00000192401149
                   +0 :               0.00000402161465
                   +1 :              -0.00000770434390
                   +2 :              -0.00002204387788
             10 vec=    13.385770      7.244652      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000557288176
                2s
                   +0 :              -0.00002147578482
                3s
                   +0 :               0.00002855934173
                2p
                   -1 :               0.00004122453056
                   +0 :              -0.00003673215887
                   +1 :               0.00002977133705
                3p
                   -1 :              -0.00005496710408
                   +0 :               0.00006065693663
                   +1 :               0.00001184636660
                3d
                   -2 :              -0.00000330379216
                   -1 :              -0.00000241819202
                   +0 :               0.00000298259478
                   +1 :              -0.00000284974321
                   +2 :               0.00000518541748
             11 vec=    -9.954718     11.736531      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00006844494773
                2s
                   +0 :               0.00049229615258
                3s
                   +0 :              -0.00021469412643
                2p
                   -1 :               0.00025294725582
                   +0 :               0.00002661912661
                   +1 :              -0.00039367236681
                3p
                   -1 :              -0.00011272375683
                   +0 :              -0.00001123564113
                   +1 :               0.00025011142460
                3d
                   -2 :               0.00000907044552
                   -1 :               0.00000576377704
                   +0 :              -0.00001467363614
                   +1 :               0.00000051026927
                   +2 :              -0.00001394139400
             12 vec=     5.605607    -15.214743      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00000975101056
                2s
                   +0 :              -0.00008708004595
                3s
                   +0 :               0.00002698990315
                2p
                   -1 :               0.00026202662362
                   +0 :              -0.00007864291401
                   +1 :              -0.00037339667368
                3p
                   -1 :              -0.00020786401968
                   +0 :               0.00004224599177
                   +1 :               0.00032815984087
                3d
                   -2 :              -0.00002195416882
                   -1 :              -0.00000568209013
                   +0 :              -0.00000989136540
                   +1 :               0.00001126463066
                   +2 :              -0.00000967003529
             13 vec=    -2.174555     16.228410      4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00003156773078
                2s
                   +0 :               0.00022114381550
                3s
                   +0 :              -0.00009238612340
                2p
                   -1 :               0.00015238360163
                   +0 :               0.00005736227600
                   +1 :              -0.00018520912230
                3p
                   -1 :              -0.00006352006780
                   +0 :              -0.00001570835405
                   +1 :               0.00014122605677
                3d
                   -2 :               0.00001257495394
                   -1 :              -0.00000124282140
                   +0 :               0.00000006483626
                   +1 :              -0.00000111794595
                   +2 :              -0.00000133203317
             14 vec=    13.385770    -10.722864      4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000070621003
                2s
                   +0 :               0.00000604136333
                3s
                   +0 :              -0.00000983631098
                2p
                   -1 :              -0.00001301641462
                   +0 :               0.00002599539785
                   +1 :               0.00008443022324
                3p
                   -1 :               0.00000939701684
                   +0 :              -0.00002518880052
                   +1 :              -0.00009952053366
                3d
                   -2 :               0.00000194842750
                   -1 :              -0.00000083764441
                   +0 :               0.00000515816390
                   +1 :              -0.00000126500839
                   +2 :              -0.00001094716199
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 17)  npairs=  14
              1 vec=     2.593128     -1.739106      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00055806687878
                2s
                   +0 :              -0.01593107024554
                3s
                   +0 :              -0.00295533950786
                2p
                   -1 :              -0.00447433238634
                   +0 :              -0.01269656585722
                   +1 :              -0.00324970352444
                3p
                   -1 :               0.00109580339169
                   +0 :              -0.00197168995794
                   +1 :              -0.00532144901728
                3d
                   -2 :               0.00005621730251
                   -1 :              -0.00023223763649
                   +0 :              -0.00131126472762
                   +1 :              -0.00194160892059
                   +2 :              -0.00074605785575
              2 vec=    -5.187034      2.752773      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00131854246596
                2s
                   +0 :               0.00883682896294
                3s
                   +0 :              -0.00434815769125
                2p
                   -1 :               0.00820270032507
                   +0 :               0.00103747603253
                   +1 :              -0.00358127628385
                3p
                   -1 :              -0.00736714543508
                   +0 :              -0.00036124935625
                   +1 :               0.00166546564125
                3d
                   -2 :               0.00040908353645
                   -1 :              -0.00002383459953
                   +0 :               0.00015130552527
                   +1 :               0.00012920316781
                   +2 :              -0.00005883484672
              3 vec=     2.593128      7.244652      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00001156825944
                2s
                   +0 :              -0.00055358917766
                3s
                   +0 :               0.00035023623037
                2p
                   -1 :               0.00257722373461
                   +0 :              -0.00136503367327
                   +1 :               0.00173837298836
                3p
                   -1 :              -0.00123497747811
                   +0 :               0.00069758584351
                   +1 :              -0.00099899994546
                3d
                   -2 :              -0.00007799343471
                   -1 :              -0.00005099905213
                   +0 :              -0.00004361267055
                   +1 :               0.00010511067800
                   +2 :               0.00005748100171
              4 vec=    -5.187034     -6.230985      4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00020260329525
                2s
                   +0 :              -0.00089373123360
                3s
                   +0 :               0.00034710146045
                2p
                   -1 :              -0.00271711399804
                   +0 :              -0.00356077340198
                   +1 :               0.00027650986347
                3p
                   -1 :               0.00206131088239
                   +0 :               0.00191975095154
                   +1 :               0.00037447280148
                3d
                   -2 :              -0.00000478759473
                   -1 :               0.00006065344860
                   +0 :              -0.00000831355823
                   +1 :              -0.00007718163475
                   +2 :               0.00003509099857
              5 vec=    10.373291      2.752773      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00006894035011
                2s
                   +0 :              -0.00030518729742
                3s
                   +0 :               0.00021678864035
                2p
                   -1 :              -0.00023840935676
                   +0 :              -0.00004912555180
                   +1 :               0.00015540968227
                3p
                   -1 :               0.00003160945882
                   +0 :               0.00008121000539
                   +1 :              -0.00002923665429
                3d
                   -2 :              -0.00001762315894
                   -1 :              -0.00002582501682
                   +0 :               0.00006161952579
                   +1 :               0.00005958680268
                   +2 :               0.00000884475868
              6 vec=     2.593128    -10.722864      4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00002279790834
                2s
                   +0 :              -0.00035215804913
                3s
                   +0 :               0.00002875464286
                2p
                   -1 :              -0.00029426720743
                   +0 :              -0.00095218733634
                   +1 :               0.00086331157288
                3p
                   -1 :               0.00033047446094
                   +0 :               0.00066106176003
                   +1 :              -0.00081388191353
                3d
                   -2 :               0.00008636477946
                   -1 :              -0.00005634244685
                   +0 :              -0.00007941516697
                   +1 :               0.00003736280881
                   +2 :               0.00006066072097
              7 vec=    10.373291     -6.230985      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00002619203008
                2s
                   +0 :              -0.00039478297467
                3s
                   +0 :               0.00011351711298
                2p
                   -1 :               0.00007569359254
                   +0 :               0.00052948456444
                   +1 :               0.00004741280120
                3p
                   -1 :              -0.00001366320513
                   +0 :              -0.00040574237193
                   +1 :              -0.00002003387354
                3d
                   -2 :              -0.00001557187289
                   -1 :               0.00001056310339
                   +0 :              -0.00002148963223
                   +1 :              -0.00000353075365
                   +2 :               0.00004107381290
              8 vec=    -5.187034     11.736531      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00006972529938
                2s
                   +0 :               0.00097750676696
                3s
                   +0 :              -0.00008029094817
                2p
                   -1 :               0.00050858086139
                   +0 :               0.00064041220266
                   +1 :               0.00020067474429
                3p
                   -1 :              -0.00025104461847
                   +0 :              -0.00013178172256
                   +1 :              -0.00017718281894
                3d
                   -2 :              -0.00001868862537
                   -1 :              -0.00000532733726
                   +0 :               0.00004032257085
                   +1 :              -0.00000449689486
                   +2 :              -0.00002605027410
              9 vec=   -12.967197     -1.739106      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00006145802325
                2s
                   +0 :               0.00029224793587
                3s
                   +0 :              -0.00018565315189
                2p
                   -1 :               0.00005165137198
                   +0 :               0.00017668905734
                   +1 :              -0.00030152324038
                3p
                   -1 :              -0.00008069693524
                   +0 :              -0.00013143298112
                   +1 :               0.00033950097720
                3d
                   -2 :              -0.00000341956328
                   -1 :              -0.00001154168681
                   +0 :               0.00000031997220
                   +1 :               0.00000691510519
                   +2 :              -0.00003468397968
             10 vec=   -12.967197      7.244652      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00001516916594
                2s
                   +0 :               0.00012161049950
                3s
                   +0 :              -0.00003619346229
                2p
                   -1 :              -0.00006607766771
                   +0 :               0.00000719805360
                   +1 :              -0.00002344240460
                3p
                   -1 :               0.00003924895762
                   +0 :               0.00002186952546
                   +1 :              -0.00004150868761
                3d
                   -2 :              -0.00001323116558
                   -1 :               0.00000812042477
                   +0 :              -0.00000550584676
                   +1 :               0.00000372163490
                   +2 :               0.00000236065260
             11 vec=    10.373291     11.736531      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00001198116208
                2s
                   +0 :              -0.00000930926939
                3s
                   +0 :               0.00004598935153
                2p
                   -1 :               0.00002500314522
                   +0 :               0.00004054140328
                   +1 :               0.00005269828297
                3p
                   -1 :               0.00001540917196
                   +0 :               0.00000668311933
                   +1 :               0.00002848346026
                3d
                   -2 :              -0.00000157925248
                   -1 :              -0.00000549508473
                   +0 :              -0.00000877987701
                   +1 :               0.00000287785492
                   +2 :              -0.00000007984264
             12 vec=    -5.187034    -15.214743      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00004022802622
                2s
                   +0 :              -0.00027381526853
                3s
                   +0 :               0.00008321928251
                2p
                   -1 :               0.00017753603881
                   +0 :               0.00015173997455
                   +1 :               0.00003767146892
                3p
                   -1 :              -0.00003074960059
                   +0 :              -0.00020377959554
                   +1 :               0.00001070340603
                3d
                   -2 :               0.00000553423298
                   -1 :               0.00001651839912
                   +0 :               0.00000763532287
                   +1 :              -0.00000265722476
                   +2 :               0.00000741743383
             13 vec=     2.593128     16.228410      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00002869525301
                2s
                   +0 :               0.00019663058926
                3s
                   +0 :              -0.00006337632555
                2p
                   -1 :               0.00012868095830
                   +0 :               0.00003415503303
                   +1 :               0.00012132828243
                3p
                   -1 :              -0.00005275866923
                   +0 :               0.00000253653540
                   +1 :              -0.00009640780517
                3d
                   -2 :              -0.00000461018213
                   -1 :              -0.00000368931512
                   +0 :               0.00000819272018
                   +1 :              -0.00000193573179
                   +2 :              -0.00001017579384
             14 vec=   -12.967197    -10.722864      4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00002356090992
                2s
                   +0 :              -0.00014205677404
                3s
                   +0 :               0.00006294655397
                2p
                   -1 :               0.00001690303632
                   +0 :               0.00000821878360
                   +1 :              -0.00004044503665
                3p
                   -1 :               0.00002007635089
                   +0 :              -0.00002203027561
                   +1 :               0.00005470952828
                3d
                   -2 :              -0.00000687496233
                   -1 :               0.00000245497469
                   +0 :              -0.00000266916316
                   +1 :               0.00000035850696
                   +2 :               0.00000993058457
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 18)  npairs=  14
              1 vec=     0.209286      3.115717      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00180163055449
                2s
                   +0 :               0.04333796160027
                3s
                   +0 :              -0.00252658718594
                2p
                   -1 :               0.01027956273263
                   +0 :               0.02300349689847
                   +1 :              -0.00172471789376
                3p
                   -1 :               0.00410260899614
                   +0 :               0.00101444359930
                   +1 :               0.00275935934354
                3d
                   -2 :               0.00008117535358
                   -1 :               0.00222922346339
                   +0 :               0.00139262799949
                   +1 :              -0.00068538587010
                   +2 :              -0.00056769593684
              2 vec=     0.209286     -5.868041      4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00137235388906
                2s
                   +0 :              -0.01160990706454
                3s
                   +0 :               0.00590582425363
                2p
                   -1 :               0.01520787225589
                   +0 :              -0.01303419498703
                   +1 :              -0.00044423685929
                3p
                   -1 :              -0.01169881826720
                   +0 :               0.00882354235218
                   +1 :               0.00122400462167
                3d
                   -2 :              -0.00007092743483
                   -1 :              -0.00134954249537
                   +0 :               0.00049893026819
                   +1 :              -0.00000650180237
                   +2 :              -0.00067809498355
              3 vec=    -7.570876     -1.376162      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00020561109921
                2s
                   +0 :               0.00128643385746
                3s
                   +0 :              -0.00068902260144
                2p
                   -1 :              -0.00189147379857
                   +0 :               0.00010120851998
                   +1 :               0.00146251479215
                3p
                   -1 :               0.00145685126674
                   +0 :               0.00035260666519
                   +1 :              -0.00106449645223
                3d
                   -2 :               0.00001310092639
                   -1 :              -0.00008499735053
                   +0 :               0.00008003396209
                   +1 :              -0.00009224881014
                   +2 :               0.00018205260718
              4 vec=     7.989449     -1.376162      4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00023285182757
                2s
                   +0 :               0.00146140623640
                3s
                   +0 :              -0.00076790930525
                2p
                   -1 :               0.00095180800185
                   +0 :               0.00056428969346
                   +1 :              -0.00078946882915
                3p
                   -1 :              -0.00103244936309
                   +0 :              -0.00017081500772
                   +1 :               0.00026478478338
                3d
                   -2 :              -0.00005047405369
                   -1 :              -0.00006530180754
                   +0 :              -0.00004012047080
                   +1 :               0.00017947709697
                   +2 :               0.00009687784542
              5 vec=    -7.570876      7.607596      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00006793371418
                2s
                   +0 :              -0.00016170263683
                3s
                   +0 :               0.00047221500853
                2p
                   -1 :              -0.00094647274082
                   +0 :              -0.00008476318739
                   +1 :              -0.00033746877774
                3p
                   -1 :               0.00117351501844
                   +0 :               0.00045642729685
                   +1 :              -0.00027251074798
                3d
                   -2 :              -0.00008571723493
                   -1 :              -0.00000870116296
                   +0 :              -0.00006423556613
                   +1 :              -0.00006501878094
                   +2 :              -0.00002890409333
              6 vec=     7.989449      7.607596      4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00002831806554
                2s
                   +0 :               0.00034135252501
                3s
                   +0 :              -0.00004952714974
                2p
                   -1 :               0.00052564155374
                   +0 :               0.00038917195166
                   +1 :               0.00053864693060
                3p
                   -1 :              -0.00047193483123
                   +0 :              -0.00029483507276
                   +1 :              -0.00027770149109
                3d
                   -2 :               0.00000583692140
                   -1 :              -0.00002892463249
                   +0 :              -0.00004084171183
                   +1 :              -0.00000238089037
                   +2 :               0.00000229868493
              7 vec=     0.209286     12.099475      4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00000478672141
                2s
                   +0 :               0.00039746442689
                3s
                   +0 :               0.00004639790001
                2p
                   -1 :              -0.00053843346696
                   +0 :              -0.00008913302096
                   +1 :              -0.00019516246092
                3p
                   -1 :               0.00058350895622
                   +0 :               0.00019336149498
                   +1 :               0.00009719116132
                3d
                   -2 :              -0.00001090342788
                   -1 :               0.00001717474725
                   +0 :              -0.00000219220768
                   +1 :              -0.00000796888537
                   +2 :              -0.00001948195087
              8 vec=    -7.570876    -10.359920      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00004477902241
                2s
                   +0 :              -0.00053129556426
                3s
                   +0 :              -0.00000331871073
                2p
                   -1 :               0.00018034733520
                   +0 :               0.00001989050213
                   +1 :              -0.00036126981451
                3p
                   -1 :              -0.00019260685773
                   +0 :              -0.00030071115407
                   +1 :               0.00045404037252
                3d
                   -2 :              -0.00002706684496
                   -1 :               0.00002196602125
                   +0 :              -0.00003425347222
                   +1 :               0.00004308047405
                   +2 :              -0.00005749269896
              9 vec=     7.989449    -10.359920      4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00014020937414
                2s
                   +0 :               0.00052591866255
                3s
                   +0 :              -0.00046013010783
                2p
                   -1 :               0.00049409073308
                   +0 :               0.00015908765746
                   +1 :              -0.00028484640515
                3p
                   -1 :              -0.00044181368226
                   +0 :              -0.00015466408475
                   +1 :               0.00021123712734
                3d
                   -2 :              -0.00001670056150
                   -1 :              -0.00001574540997
                   +0 :              -0.00001873238787
                   +1 :               0.00002449665907
                   +2 :               0.00000264016028
             10 vec=     0.209286    -14.851799      4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00001943408179
                2s
                   +0 :               0.00009258872966
                3s
                   +0 :              -0.00015811660957
                2p
                   -1 :              -0.00013079082045
                   +0 :              -0.00012793471679
                   +1 :              -0.00014167332576
                3p
                   -1 :               0.00019786893375
                   +0 :               0.00005257233180
                   +1 :               0.00011463444975
                3d
                   -2 :              -0.00001502083576
                   -1 :              -0.00000460794697
                   +0 :              -0.00001504272586
                   +1 :               0.00000889565704
                   +2 :               0.00001038001375
             11 vec=   -15.351039      3.115717      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00002816281979
                2s
                   +0 :              -0.00014426730635
                3s
                   +0 :               0.00010492884967
                2p
                   -1 :              -0.00019374333650
                   +0 :               0.00017111198770
                   +1 :               0.00027048950326
                3p
                   -1 :               0.00013643401960
                   +0 :              -0.00010646862681
                   +1 :              -0.00027744935892
                3d
                   -2 :              -0.00001252327581
                   -1 :               0.00000362738234
                   +0 :              -0.00001200924774
                   +1 :               0.00000383064169
                   +2 :               0.00002181709236
             12 vec=    15.769612      3.115717      4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00000762467341
                2s
                   +0 :               0.00006257903812
                3s
                   +0 :              -0.00002563371730
                2p
                   -1 :              -0.00006498926513
                   +0 :               0.00002915717898
                   +1 :              -0.00003950618949
                3p
                   -1 :               0.00003304099564
                   +0 :              -0.00001222484708
                   +1 :               0.00006296183405
                3d
                   -2 :              -0.00000202484941
                   -1 :              -0.00000323038995
                   +0 :              -0.00000549877574
                   +1 :              -0.00000507461012
                   +2 :               0.00000320486240
             13 vec=   -15.351039     -5.868041      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00000063052067
                2s
                   +0 :              -0.00000147910054
                3s
                   +0 :              -0.00001718030027
                2p
                   -1 :              -0.00002829818359
                   +0 :              -0.00001729045255
                   +1 :              -0.00006551707766
                3p
                   -1 :               0.00002778564578
                   +0 :              -0.00000528409227
                   +1 :               0.00008516193632
                3d
                   -2 :               0.00000122341448
                   -1 :              -0.00000343796475
                   +0 :              -0.00000178153679
                   +1 :               0.00000193934628
                   +2 :              -0.00001264822970
             14 vec=    15.769612     -5.868041      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00001667397262
                2s
                   +0 :              -0.00012305060025
                3s
                   +0 :               0.00004955385340
                2p
                   -1 :               0.00009600699709
                   +0 :              -0.00004295481491
                   +1 :              -0.00005207839002
                3p
                   -1 :              -0.00006712853249
                   +0 :              -0.00000115220959
                   +1 :               0.00003798828740
                3d
                   -2 :               0.00000112379117
                   -1 :              -0.00000036675248
                   +0 :              -0.00000389630888
                   +1 :              -0.00000043853044
                   +2 :              -0.00000427318909
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 19)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00082916800780
                2s
                   +0 :               0.00145646957855
                3s
                   +0 :               0.00356209778224
                2p
                   -1 :               0.87814906232072
                   +0 :               0.02588621109358
                   +1 :               0.00852722881045
                3p
                   -1 :              -0.04300060093705
                   +0 :              -0.00949304665386
                   +1 :              -0.00384782562683
                3d
                   -2 :              -0.00072186233289
                   -1 :               0.00228745125925
                   +0 :               0.00075546313027
                   +1 :              -0.00184269466131
                   +2 :               0.00292834951601
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00036442780080
                2s
                   +0 :              -0.00181887608653
                3s
                   +0 :               0.00120717315166
                2p
                   -1 :              -0.00199577841502
                   +0 :               0.00031241685719
                   +1 :               0.00184600469614
                3p
                   -1 :               0.00030835199708
                   +0 :              -0.00038495164769
                   +1 :              -0.00139082627913
                3d
                   -2 :               0.00019016437204
                   -1 :               0.00004801860472
                   +0 :               0.00000752746760
                   +1 :              -0.00002138242869
                   +2 :               0.00001456510647
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00007090329221
                2s
                   +0 :               0.00060946920702
                3s
                   +0 :               0.00006185624687
                2p
                   -1 :              -0.00230792830433
                   +0 :              -0.00044566089084
                   +1 :              -0.00373249216373
                3p
                   -1 :               0.00028094301137
                   +0 :               0.00041877694455
                   +1 :               0.00107943738643
                3d
                   -2 :               0.00013218039325
                   -1 :               0.00004089827773
                   +0 :               0.00002712128689
                   +1 :              -0.00004469588407
                   +2 :               0.00006871239911
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00006442240339
                2s
                   +0 :               0.00001051217656
                3s
                   +0 :              -0.00020397620125
                2p
                   -1 :               0.00025611722770
                   +0 :              -0.00011127384616
                   +1 :              -0.00251219347567
                3p
                   -1 :               0.00075910812704
                   +0 :               0.00011538968099
                   +1 :               0.00097316959181
                3d
                   -2 :               0.00013094552098
                   -1 :              -0.00001608061199
                   +0 :              -0.00016736995700
                   +1 :               0.00015514136453
                   +2 :               0.00020341836047
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00025896096253
                2s
                   +0 :               0.00141571914613
                3s
                   +0 :              -0.00042657617866
                2p
                   -1 :               0.00120581669405
                   +0 :               0.00141717419500
                   +1 :              -0.00064049876335
                3p
                   -1 :               0.00008241983134
                   +0 :              -0.00134902452081
                   +1 :               0.00128717876890
                3d
                   -2 :               0.00023813774912
                   -1 :              -0.00000275148741
                   +0 :              -0.00013363593584
                   +1 :               0.00000130274197
                   +2 :               0.00013751982859
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027533321589
                2s
                   +0 :              -0.00098244589243
                3s
                   +0 :               0.00013320460070
                2p
                   -1 :              -0.00119039315793
                   +0 :              -0.00006221631666
                   +1 :              -0.00164638736836
                3p
                   -1 :              -0.00072175065033
                   +0 :               0.00011984421051
                   +1 :              -0.00061149611059
                3d
                   -2 :              -0.00029517222423
                   -1 :              -0.00001247414941
                   +0 :               0.00005995609696
                   +1 :              -0.00020374712621
                   +2 :              -0.00032959536679
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00028030195182
                2s
                   +0 :               0.00176757035607
                3s
                   +0 :              -0.00083425976685
                2p
                   -1 :              -0.00233846257486
                   +0 :               0.00010331565535
                   +1 :               0.00376595118935
                3p
                   -1 :               0.00066658523917
                   +0 :              -0.00002452907389
                   +1 :              -0.00162767816425
                3d
                   -2 :               0.00002717839853
                   -1 :              -0.00007390250041
                   +0 :               0.00008721960004
                   +1 :              -0.00001149388526
                   +2 :               0.00007189119462
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002848537370
                2s
                   +0 :               0.00020083194047
                3s
                   +0 :              -0.00010527140641
                2p
                   -1 :              -0.00014047471811
                   +0 :               0.00013248909615
                   +1 :              -0.00021293534008
                3p
                   -1 :               0.00008513417387
                   +0 :              -0.00012554218201
                   +1 :               0.00013757612909
                3d
                   -2 :              -0.00000499127214
                   -1 :               0.00000042200034
                   +0 :               0.00000663645871
                   +1 :              -0.00000347156080
                   +2 :              -0.00000817442952
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00008071834404
                2s
                   +0 :              -0.00105512513644
                3s
                   +0 :               0.00012676639293
                2p
                   -1 :               0.00086769800367
                   +0 :               0.00010888539878
                   +1 :               0.00096028767466
                3p
                   -1 :              -0.00010375494230
                   +0 :              -0.00006871926862
                   +1 :              -0.00025724106503
                3d
                   -2 :              -0.00004125707494
                   -1 :               0.00000350790481
                   +0 :               0.00001195777871
                   +1 :               0.00000747762092
                   +2 :               0.00002627374827
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00009577544025
                2s
                   +0 :               0.00111410412293
                3s
                   +0 :              -0.00015350812076
                2p
                   -1 :               0.00083311278871
                   +0 :              -0.00006849691796
                   +1 :              -0.00058148695522
                3p
                   -1 :              -0.00005379849954
                   +0 :               0.00007011063398
                   +1 :               0.00006070582840
                3d
                   -2 :              -0.00005519217162
                   -1 :               0.00001858180222
                   +0 :              -0.00003452322202
                   +1 :               0.00001273329568
                   +2 :              -0.00001791789152
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000098888444
                2s
                   +0 :              -0.00055741951729
                3s
                   +0 :              -0.00007782965614
                2p
                   -1 :               0.00086109326049
                   +0 :              -0.00034153912120
                   +1 :              -0.00074001621038
                3p
                   -1 :              -0.00020389563296
                   +0 :               0.00032962870242
                   +1 :               0.00026027066910
                3d
                   -2 :              -0.00000510490693
                   -1 :              -0.00004835416140
                   +0 :              -0.00001222384667
                   +1 :               0.00000664365496
                   +2 :               0.00003539048114
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00005816988289
                2s
                   +0 :               0.00082969044645
                3s
                   +0 :              -0.00006203158155
                2p
                   -1 :               0.00081731344631
                   +0 :               0.00013231669174
                   +1 :               0.00030654162584
                3p
                   -1 :              -0.00006833272427
                   +0 :              -0.00008869669998
                   +1 :               0.00001401037022
                3d
                   -2 :               0.00003262699101
                   -1 :              -0.00000051102981
                   +0 :              -0.00002078944634
                   +1 :              -0.00000736992924
                   +2 :              -0.00002631576909
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001795196624
                2s
                   +0 :              -0.00011691985602
                3s
                   +0 :               0.00006042571200
                2p
                   -1 :              -0.00003583018794
                   +0 :              -0.00012350572603
                   +1 :               0.00007939384979
                3p
                   -1 :              -0.00000480711000
                   +0 :               0.00010668196894
                   +1 :              -0.00009065376023
                3d
                   -2 :               0.00001160510165
                   -1 :               0.00000071597575
                   +0 :               0.00001948725364
                   +1 :               0.00000742782335
                   +2 :              -0.00001435372734
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001798537662
                2s
                   +0 :              -0.00015557156181
                3s
                   +0 :               0.00004166811006
                2p
                   -1 :              -0.00000322416927
                   +0 :              -0.00005183588849
                   +1 :               0.00018967859771
                3p
                   -1 :               0.00000707145459
                   +0 :               0.00004834423956
                   +1 :              -0.00008653144982
                3d
                   -2 :              -0.00000056106987
                   -1 :              -0.00000263289894
                   +0 :               0.00000270333722
                   +1 :              -0.00000360267452
                   +2 :              -0.00000026010687
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000567585211
                2s
                   +0 :               0.00006174286821
                3s
                   +0 :              -0.00000614624072
                2p
                   -1 :               0.00004404502381
                   +0 :               0.00000533828349
                   +1 :              -0.00005018267108
                3p
                   -1 :               0.00000937924722
                   +0 :               0.00000130502176
                   +1 :               0.00001762924034
                3d
                   -2 :              -0.00000338144484
                   -1 :              -0.00000013018492
                   +0 :              -0.00000011489687
                   +1 :               0.00000026811376
                   +2 :              -0.00000553168366
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000978296969
                2s
                   +0 :              -0.00014484581710
                3s
                   +0 :               0.00001326876249
                2p
                   -1 :               0.00015784557126
                   +0 :               0.00006262821717
                   +1 :              -0.00001733995982
                3p
                   -1 :              -0.00001020920784
                   +0 :              -0.00004527902912
                   +1 :               0.00001707786595
                3d
                   -2 :              -0.00000175996453
                   -1 :               0.00000423750292
                   +0 :               0.00000391190625
                   +1 :              -0.00000462094907
                   +2 :              -0.00000106965141
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002484810090
                2s
                   +0 :               0.00025115143471
                3s
                   +0 :              -0.00006064874297
                2p
                   -1 :               0.00021824270221
                   +0 :              -0.00001856624090
                   +1 :              -0.00006553827202
                3p
                   -1 :              -0.00005190691213
                   +0 :               0.00002229253217
                   +1 :               0.00004627141547
                3d
                   -2 :               0.00000166860771
                   -1 :               0.00000541107961
                   +0 :              -0.00000272139574
                   +1 :               0.00000402199669
                   +2 :               0.00000029480761
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000653884084
                2s
                   +0 :              -0.00005951260973
                3s
                   +0 :               0.00000426823674
                2p
                   -1 :               0.00004936256950
                   +0 :              -0.00001512314699
                   +1 :              -0.00000935632210
                3p
                   -1 :              -0.00000127863504
                   +0 :               0.00000887711579
                   +1 :              -0.00001715147360
                3d
                   -2 :              -0.00000031785125
                   -1 :              -0.00000341623002
                   +0 :              -0.00000048286161
                   +1 :               0.00000254817076
                   +2 :               0.00000315551656
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000032586928
                2s
                   +0 :               0.00003220757914
                3s
                   +0 :               0.00001241002642
                2p
                   -1 :              -0.00001942093959
                   +0 :               0.00004828633670
                   +1 :               0.00003753656466
                3p
                   -1 :               0.00002089687216
                   +0 :              -0.00003724666090
                   +1 :               0.00002688642744
                3d
                   -2 :               0.00000096711048
                   -1 :              -0.00000090914090
                   +0 :              -0.00000211639722
                   +1 :              -0.00000378711118
                   +2 :               0.00000273591108
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 20)  npairs=  12
              1 vec=    -4.768202     -0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00100307794114
                2s
                   +0 :              -0.00272827388144
                3s
                   +0 :               0.00203647583914
                2p
                   -1 :              -0.01153286741051
                   +0 :              -0.00180651970918
                   +1 :              -0.00558712068821
                3p
                   -1 :               0.00038912517564
                   +0 :               0.00007853241101
                   +1 :               0.00279336319735
                3d
                   -2 :               0.00122140733409
                   -1 :              -0.00009385206879
                   +0 :               0.00073614012364
                   +1 :              -0.00000834030144
                   +2 :              -0.00007609063318
              2 vec=     3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00001606352687
                2s
                   +0 :              -0.03728413068994
                3s
                   +0 :              -0.00486458440379
                2p
                   -1 :               0.01995057916065
                   +0 :               0.00539026598434
                   +1 :              -0.01726167700655
                3p
                   -1 :               0.00631255978802
                   +0 :              -0.00591054337726
                   +1 :              -0.00721500169756
                3d
                   -2 :               0.00324594835755
                   -1 :               0.00082215391354
                   +0 :               0.00175489449133
                   +1 :              -0.00036967312992
                   +2 :               0.00097069602952
              3 vec=     3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00237212934412
                2s
                   +0 :               0.04798503342177
                3s
                   +0 :              -0.00362976000883
                2p
                   -1 :               0.02523656182082
                   +0 :               0.00126601298763
                   +1 :               0.02097045697445
                3p
                   -1 :               0.00147274508691
                   +0 :              -0.00173530270687
                   +1 :              -0.00251766250227
                3d
                   -2 :               0.00206082573163
                   -1 :              -0.00085777072016
                   +0 :              -0.00118599836484
                   +1 :               0.00050374202980
                   +2 :              -0.00090493661542
              4 vec=    -4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00099134215829
                2s
                   +0 :              -0.00842321545756
                3s
                   +0 :               0.00213151510990
                2p
                   -1 :               0.00554112648682
                   +0 :              -0.00001529170185
                   +1 :               0.00650469788708
                3p
                   -1 :               0.00003456496286
                   +0 :              -0.00007764468532
                   +1 :              -0.00244816512592
                3d
                   -2 :              -0.00027029655728
                   -1 :               0.00019020985904
                   +0 :               0.00041358770454
                   +1 :              -0.00000733145644
                   +2 :               0.00035818209403
              5 vec=    -4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00043054077377
                2s
                   +0 :               0.00523586924305
                3s
                   +0 :              -0.00033466695838
                2p
                   -1 :               0.00698330088625
                   +0 :              -0.00045962651257
                   +1 :              -0.00261227938193
                3p
                   -1 :              -0.00089397189259
                   +0 :               0.00011159686339
                   +1 :               0.00027489919371
                3d
                   -2 :              -0.00027487625232
                   -1 :              -0.00006642187866
                   +0 :              -0.00010729680109
                   +1 :               0.00004791292301
                   +2 :              -0.00018565055267
              6 vec=    10.792123      0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00021250901194
                2s
                   +0 :               0.00108237275007
                3s
                   +0 :              -0.00074467720554
                2p
                   -1 :              -0.00109832056844
                   +0 :              -0.00051229856616
                   +1 :               0.00068360464667
                3p
                   -1 :               0.00048450159724
                   +0 :               0.00048372653155
                   +1 :              -0.00064887392448
                3d
                   -2 :              -0.00002600837915
                   -1 :               0.00006629864654
                   +0 :               0.00004412651389
                   +1 :               0.00002791724366
                   +2 :              -0.00008886200661
              7 vec=   -12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00005503264074
                2s
                   +0 :               0.00018620967055
                3s
                   +0 :              -0.00015748893563
                2p
                   -1 :              -0.00007527867811
                   +0 :              -0.00013656393207
                   +1 :               0.00015833842079
                3p
                   -1 :               0.00007235346669
                   +0 :               0.00012704804780
                   +1 :              -0.00005238614121
                3d
                   -2 :              -0.00000730963262
                   -1 :              -0.00001132125129
                   +0 :              -0.00001428596754
                   +1 :              -0.00000333209082
                   +2 :               0.00000323360613
              8 vec=   -12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00004331004437
                2s
                   +0 :               0.00074354279416
                3s
                   +0 :              -0.00005195840341
                2p
                   -1 :               0.00020625524881
                   +0 :               0.00000694546594
                   +1 :              -0.00030333641077
                3p
                   -1 :              -0.00017606663566
                   +0 :              -0.00001816532570
                   +1 :              -0.00019614991524
                3d
                   -2 :              -0.00000762564835
                   -1 :              -0.00000118415738
                   +0 :              -0.00001401054595
                   +1 :              -0.00000050079456
                   +2 :               0.00005048987975
              9 vec=     3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00006521225276
                2s
                   +0 :              -0.00091877385645
                3s
                   +0 :               0.00017688291044
                2p
                   -1 :               0.00060850100984
                   +0 :               0.00003052990006
                   +1 :               0.00044895222825
                3p
                   -1 :              -0.00013354077882
                   +0 :              -0.00003399646548
                   +1 :              -0.00027818799591
                3d
                   -2 :               0.00001439460771
                   -1 :               0.00001525055166
                   +0 :               0.00002041900019
                   +1 :               0.00001905396237
                   +2 :               0.00000303005272
             10 vec=     3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00003117119315
                2s
                   +0 :               0.00061827259516
                3s
                   +0 :               0.00000903984252
                2p
                   -1 :               0.00048910544336
                   +0 :              -0.00009546459652
                   +1 :               0.00035701149614
                3p
                   -1 :               0.00001600257605
                   +0 :               0.00006831470786
                   +1 :              -0.00030401505231
                3d
                   -2 :              -0.00004577096265
                   -1 :              -0.00000961993338
                   +0 :              -0.00002565927761
                   +1 :               0.00000908450290
                   +2 :              -0.00001381987284
             11 vec=    10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00002825869206
                2s
                   +0 :               0.00005836874616
                3s
                   +0 :              -0.00005768262795
                2p
                   -1 :              -0.00009379111179
                   +0 :              -0.00016936724531
                   +1 :               0.00016232270287
                3p
                   -1 :              -0.00004048537239
                   +0 :               0.00015622925167
                   +1 :              -0.00012668714717
                3d
                   -2 :              -0.00002574537391
                   -1 :              -0.00000486270142
                   +0 :               0.00000427581565
                   +1 :               0.00000679934779
                   +2 :              -0.00000198592610
             12 vec=    10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00004751801062
                2s
                   +0 :               0.00056255586745
                3s
                   +0 :              -0.00008724755286
                2p
                   -1 :              -0.00013572243527
                   +0 :               0.00020514522862
                   +1 :               0.00052837358907
                3p
                   -1 :              -0.00000850539838
                   +0 :              -0.00018049009175
                   +1 :              -0.00019855299617
                3d
                   -2 :              -0.00002278862858
                   -1 :              -0.00001085759475
                   +0 :               0.00000478619293
                   +1 :               0.00000276381270
                   +2 :              -0.00000275081642
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 21)  npairs=  12
              1 vec=    -2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00483212491430
                2s
                   +0 :               0.10066409202530
                3s
                   +0 :              -0.01123144802568
                2p
                   -1 :               0.05090729110525
                   +0 :               0.00284908005881
                   +1 :              -0.02869273198803
                3p
                   -1 :              -0.00769294954436
                   +0 :              -0.00334113817852
                   +1 :               0.00096664221835
                3d
                   -2 :              -0.00355607485640
                   -1 :              -0.00054614481690
                   +0 :              -0.00242583436848
                   +1 :              -0.00068586483458
                   +2 :              -0.00011522960730
              2 vec=    -2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00105740027540
                2s
                   +0 :              -0.04728567013221
                3s
                   +0 :              -0.00219548377798
                2p
                   -1 :               0.03066414573803
                   +0 :               0.00338436048571
                   +1 :               0.01821759447852
                3p
                   -1 :               0.00279912847098
                   +0 :              -0.00389274977113
                   +1 :               0.00365791736974
                3d
                   -2 :              -0.00284002300544
                   -1 :              -0.00010694768980
                   +0 :               0.00168977786704
                   +1 :               0.00124949870329
                   +2 :               0.00144499764335
              3 vec=     5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00132810591949
                2s
                   +0 :              -0.00753890231772
                3s
                   +0 :               0.00489181101016
                2p
                   -1 :              -0.00450961097359
                   +0 :               0.00440738348092
                   +1 :              -0.00717335244752
                3p
                   -1 :              -0.00077762710455
                   +0 :              -0.00428609813805
                   +1 :               0.00664688439777
                3d
                   -2 :              -0.00089321529563
                   -1 :              -0.00012042777858
                   +0 :              -0.00020603883177
                   +1 :              -0.00007200464876
                   +2 :               0.00052069537868
              4 vec=   -10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00002987387827
                2s
                   +0 :              -0.00003179064191
                3s
                   +0 :               0.00000559912393
                2p
                   -1 :              -0.00013164737075
                   +0 :              -0.00026181771843
                   +1 :               0.00018237544771
                3p
                   -1 :              -0.00018967165650
                   +0 :               0.00024559202622
                   +1 :              -0.00055558045902
                3d
                   -2 :              -0.00000830646865
                   -1 :              -0.00003986741671
                   +0 :              -0.00011377919014
                   +1 :              -0.00003229801649
                   +2 :               0.00009188898226
              5 vec=     5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00069156036235
                2s
                   +0 :               0.00637319425876
                3s
                   +0 :              -0.00143430373725
                2p
                   -1 :               0.00660561901648
                   +0 :              -0.00032798223795
                   +1 :               0.00196819051383
                3p
                   -1 :              -0.00181939711182
                   +0 :               0.00012534202544
                   +1 :               0.00053367798582
                3d
                   -2 :               0.00028117899299
                   -1 :              -0.00005631242316
                   +0 :              -0.00016253621008
                   +1 :              -0.00014103621464
                   +2 :              -0.00001727643335
              6 vec=     5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00096918834662
                2s
                   +0 :              -0.00768336471449
                3s
                   +0 :               0.00254160880936
                2p
                   -1 :               0.00594201790409
                   +0 :              -0.00166149113197
                   +1 :              -0.00397451916697
                3p
                   -1 :              -0.00211080848179
                   +0 :               0.00159009304559
                   +1 :               0.00159697319829
                3d
                   -2 :              -0.00000402201406
                   -1 :              -0.00007566938713
                   +0 :               0.00003100324488
                   +1 :               0.00005536159686
                   +2 :               0.00003759943789
              7 vec=   -10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00000455964085
                2s
                   +0 :               0.00015764337591
                3s
                   +0 :               0.00004714204531
                2p
                   -1 :              -0.00036115826208
                   +0 :              -0.00009329585894
                   +1 :              -0.00001546700552
                3p
                   -1 :               0.00012609845139
                   +0 :               0.00009510528966
                   +1 :              -0.00004743038107
                3d
                   -2 :               0.00003358441118
                   -1 :              -0.00000927247373
                   +0 :              -0.00001919807179
                   +1 :              -0.00000071339585
                   +2 :              -0.00001754747895
              8 vec=    -2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00003540917906
                2s
                   +0 :               0.00077245508458
                3s
                   +0 :               0.00007018001625
                2p
                   -1 :               0.00001397479521
                   +0 :               0.00000050699088
                   +1 :               0.00037086983649
                3p
                   -1 :               0.00029255114805
                   +0 :              -0.00000928354555
                   +1 :              -0.00002387441541
                3d
                   -2 :               0.00003445751768
                   -1 :              -0.00000711219331
                   +0 :              -0.00001561187022
                   +1 :              -0.00000787316640
                   +2 :               0.00001129897267
              9 vec=   -10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00003126375235
                2s
                   +0 :               0.00003471299516
                3s
                   +0 :              -0.00013112188991
                2p
                   -1 :              -0.00030988318979
                   +0 :              -0.00013878404768
                   +1 :               0.00010611332046
                3p
                   -1 :               0.00005089759507
                   +0 :               0.00012357843645
                   +1 :               0.00017835039437
                3d
                   -2 :               0.00002298657883
                   -1 :               0.00000203882124
                   +0 :               0.00003831618977
                   +1 :               0.00000298066282
                   +2 :              -0.00005442601948
             10 vec=    13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00002571998803
                2s
                   +0 :               0.00035445703949
                3s
                   +0 :              -0.00005738485987
                2p
                   -1 :               0.00014720860355
                   +0 :              -0.00003486173020
                   +1 :               0.00019446689385
                3p
                   -1 :              -0.00021806871496
                   +0 :               0.00001465934894
                   +1 :               0.00010406597008
                3d
                   -2 :              -0.00001941630088
                   -1 :              -0.00000026419963
                   +0 :              -0.00002253532091
                   +1 :              -0.00000847723132
                   +2 :               0.00004923661008
             11 vec=    -2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00010536459383
                2s
                   +0 :              -0.00106958358097
                3s
                   +0 :               0.00025154461872
                2p
                   -1 :               0.00072825321871
                   +0 :               0.00018300608559
                   +1 :              -0.00052587234980
                3p
                   -1 :              -0.00034585916447
                   +0 :              -0.00014853127469
                   +1 :               0.00022419167653
                3d
                   -2 :               0.00000828500770
                   -1 :               0.00000271842664
                   +0 :              -0.00002499043548
                   +1 :               0.00000190663207
                   +2 :              -0.00003280036738
             12 vec=    13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00006027832321
                2s
                   +0 :              -0.00065678769168
                3s
                   +0 :               0.00014743628617
                2p
                   -1 :               0.00014585916044
                   +0 :              -0.00002246441830
                   +1 :              -0.00042247004912
                3p
                   -1 :              -0.00007118345073
                   +0 :               0.00003389543995
                   +1 :               0.00000131876334
                3d
                   -2 :              -0.00000132849546
                   -1 :               0.00000273900464
                   +0 :               0.00000427074570
                   +1 :               0.00001130591819
                   +2 :              -0.00002272442575
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 22)  npairs=  18
              1 vec=     3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00009106559777
                2s
                   +0 :               0.00068170962487
                3s
                   +0 :              -0.00035695233577
                2p
                   -1 :               0.00013314141506
                   +0 :              -0.00055536329643
                   +1 :               0.00007967587958
                3p
                   -1 :              -0.00007818654536
                   +0 :               0.00045821973358
                   +1 :               0.00007284389539
                3d
                   -2 :              -0.00000196216109
                   -1 :               0.00000176587147
                   +0 :              -0.00004741611503
                   +1 :              -0.00001090348041
                   +2 :               0.00000829977523
              2 vec=     3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00010589554523
                2s
                   +0 :              -0.00084039454183
                3s
                   +0 :               0.00038608571156
                2p
                   -1 :               0.00025914324193
                   +0 :              -0.00050412916673
                   +1 :               0.00035044009698
                3p
                   -1 :              -0.00013993091017
                   +0 :               0.00038101107518
                   +1 :              -0.00025415147073
                3d
                   -2 :               0.00000861039487
                   -1 :               0.00000483194518
                   +0 :               0.00006227374833
                   +1 :              -0.00000786647968
                   +2 :              -0.00002079247007
              3 vec=    -4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00005089511408
                2s
                   +0 :               0.00031988004322
                3s
                   +0 :              -0.00015257604298
                2p
                   -1 :              -0.00010104939283
                   +0 :              -0.00036243499675
                   +1 :              -0.00036564069648
                3p
                   -1 :              -0.00016661474681
                   +0 :               0.00020711320083
                   +1 :               0.00006135978691
                3d
                   -2 :               0.00000654257092
                   -1 :               0.00004907304982
                   +0 :              -0.00001388149192
                   +1 :               0.00002786504355
                   +2 :              -0.00000467019050
              4 vec=    -4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00001667668451
                2s
                   +0 :              -0.00001577649792
                3s
                   +0 :               0.00007291595074
                2p
                   -1 :              -0.00071122968757
                   +0 :               0.00023181652376
                   +1 :              -0.00019958585303
                3p
                   -1 :               0.00019354923749
                   +0 :               0.00001969831907
                   +1 :              -0.00008722528326
                3d
                   -2 :               0.00000343724157
                   -1 :              -0.00001890931829
                   +0 :               0.00001370666368
                   +1 :              -0.00001711854552
                   +2 :               0.00001329302906
              5 vec=    -4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004262941996
                2s
                   +0 :              -0.00034165398261
                3s
                   +0 :               0.00014819661655
                2p
                   -1 :              -0.00025810940369
                   +0 :               0.00023330703434
                   +1 :               0.00026326408596
                3p
                   -1 :               0.00019016817759
                   +0 :              -0.00018763353906
                   +1 :              -0.00013740828474
                3d
                   -2 :              -0.00000338137503
                   -1 :              -0.00000961734562
                   +0 :               0.00001751978686
                   +1 :               0.00000645672403
                   +2 :               0.00000234846780
              6 vec=    -4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00000195867149
                2s
                   +0 :              -0.00026501051222
                3s
                   +0 :              -0.00001252827774
                2p
                   -1 :              -0.00022927439791
                   +0 :              -0.00002048672838
                   +1 :               0.00014880081786
                3p
                   -1 :               0.00025155008734
                   +0 :              -0.00019267453268
                   +1 :               0.00003754852433
                3d
                   -2 :              -0.00001634896319
                   -1 :               0.00001251251589
                   +0 :              -0.00002975714585
                   +1 :               0.00000850323384
                   +2 :              -0.00001086396195
              7 vec=     3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00006394179716
                2s
                   +0 :               0.00082963518099
                3s
                   +0 :              -0.00012292354081
                2p
                   -1 :               0.00025753693022
                   +0 :              -0.00046196886190
                   +1 :               0.00002328148903
                3p
                   -1 :              -0.00005628380886
                   +0 :               0.00003301640980
                   +1 :               0.00001588374474
                3d
                   -2 :              -0.00001334132285
                   -1 :              -0.00000623281042
                   +0 :               0.00002600533925
                   +1 :               0.00002025536991
                   +2 :              -0.00001568522273
              8 vec=     3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002939380600
                2s
                   +0 :               0.00032276650419
                3s
                   +0 :              -0.00008545300159
                2p
                   -1 :               0.00007868827202
                   +0 :               0.00039401299426
                   +1 :              -0.00015549988045
                3p
                   -1 :               0.00002011471387
                   +0 :              -0.00012481750458
                   +1 :               0.00008135844412
                3d
                   -2 :              -0.00000756507431
                   -1 :               0.00000948392322
                   +0 :              -0.00000685751647
                   +1 :              -0.00000376877195
                   +2 :              -0.00000643240658
              9 vec=     3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001105998893
                2s
                   +0 :              -0.00015248121047
                3s
                   +0 :               0.00001782528572
                2p
                   -1 :               0.00004648410156
                   +0 :               0.00005318751245
                   +1 :              -0.00001618750393
                3p
                   -1 :              -0.00001850124999
                   +0 :              -0.00000301896061
                   +1 :              -0.00001398326267
                3d
                   -2 :               0.00000360994209
                   -1 :              -0.00000131409941
                   +0 :               0.00000127307252
                   +1 :               0.00000216869298
                   +2 :               0.00000413278830
             10 vec=     3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003605690114
                2s
                   +0 :               0.00019088966044
                3s
                   +0 :              -0.00015810882377
                2p
                   -1 :              -0.00015254252950
                   +0 :               0.00015787485915
                   +1 :               0.00007223019049
                3p
                   -1 :               0.00019776454193
                   +0 :              -0.00026577737510
                   +1 :              -0.00007748467596
                3d
                   -2 :              -0.00000108474092
                   -1 :               0.00001443833459
                   +0 :              -0.00001701554173
                   +1 :               0.00000160002369
                   +2 :              -0.00000317987220
             11 vec=    10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000217145358
                2s
                   +0 :               0.00007492493637
                3s
                   +0 :               0.00005593747092
                2p
                   -1 :              -0.00003220934681
                   +0 :               0.00008113974799
                   +1 :               0.00006956346364
                3p
                   -1 :               0.00005686111610
                   +0 :              -0.00009435117919
                   +1 :               0.00004000118803
                3d
                   -2 :               0.00001954643459
                   -1 :              -0.00001065004417
                   +0 :               0.00000588884404
                   +1 :              -0.00002605579188
                   +2 :               0.00001344509532
             12 vec=    10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000065642011
                2s
                   +0 :               0.00001976924979
                3s
                   +0 :               0.00000497585820
                2p
                   -1 :               0.00003242757856
                   +0 :              -0.00006550802208
                   +1 :               0.00001147483098
                3p
                   -1 :              -0.00006022437244
                   +0 :               0.00006004025295
                   +1 :               0.00003695887011
                3d
                   -2 :              -0.00000412729259
                   -1 :              -0.00000671225058
                   +0 :               0.00000255335571
                   +1 :               0.00000253058028
                   +2 :               0.00000686252752
             13 vec=    10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000315824325
                2s
                   +0 :              -0.00003966148083
                3s
                   +0 :               0.00000342775260
                2p
                   -1 :               0.00003189939412
                   +0 :              -0.00001206188931
                   +1 :              -0.00003192485092
                3p
                   -1 :              -0.00001743118060
                   +0 :               0.00002450202053
                   +1 :               0.00001783511247
                3d
                   -2 :               0.00000149528006
                   -1 :              -0.00000224600907
                   +0 :              -0.00000180214606
                   +1 :              -0.00000534820265
                   +2 :               0.00000758258123
             14 vec=    10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000325930713
                2s
                   +0 :              -0.00004483218685
                3s
                   +0 :               0.00000404030408
                2p
                   -1 :              -0.00000956635163
                   +0 :              -0.00000083310681
                   +1 :              -0.00006496127938
                3p
                   -1 :               0.00001674036240
                   +0 :              -0.00001330283981
                   +1 :               0.00002924528893
                3d
                   -2 :               0.00000080336808
                   -1 :               0.00000344455480
                   +0 :              -0.00000233610023
                   +1 :              -0.00000250699540
                   +2 :               0.00000031692355
             15 vec=   -12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001015281061
                2s
                   +0 :               0.00006679413512
                3s
                   +0 :              -0.00003387135354
                2p
                   -1 :              -0.00003773394365
                   +0 :              -0.00006250225654
                   +1 :              -0.00007326180135
                3p
                   -1 :               0.00000722340350
                   +0 :               0.00004094193907
                   +1 :               0.00005211338322
                3d
                   -2 :              -0.00000451846148
                   -1 :              -0.00000221079343
                   +0 :              -0.00000603558782
                   +1 :              -0.00000579443391
                   +2 :              -0.00000389930569
             16 vec=   -12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002456312687
                2s
                   +0 :               0.00015309865942
                3s
                   +0 :              -0.00008621922899
                2p
                   -1 :               0.00002333587113
                   +0 :               0.00007807260112
                   +1 :               0.00003628235462
                3p
                   -1 :              -0.00003359451437
                   +0 :              -0.00002990089753
                   +1 :              -0.00001607374025
                3d
                   -2 :               0.00000189046591
                   -1 :              -0.00000415903436
                   +0 :              -0.00000303882513
                   +1 :               0.00000203632374
                   +2 :               0.00000246301213
             17 vec=    -4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000905777873
                2s
                   +0 :               0.00007467181385
                3s
                   +0 :              -0.00001980826665
                2p
                   -1 :               0.00009924051802
                   +0 :              -0.00004503649408
                   +1 :               0.00003638004706
                3p
                   -1 :              -0.00006759613037
                   +0 :               0.00000821339104
                   +1 :              -0.00000511473764
                3d
                   -2 :               0.00000203984620
                   -1 :               0.00000311712456
                   +0 :               0.00000018950007
                   +1 :              -0.00000025414978
                   +2 :               0.00000135645815
             18 vec=    -4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000636490941
                2s
                   +0 :              -0.00003341846261
                3s
                   +0 :               0.00001412829537
                2p
                   -1 :               0.00002085241559
                   +0 :              -0.00007180832596
                   +1 :               0.00005372492874
                3p
                   -1 :              -0.00003550221260
                   +0 :               0.00005930394697
                   +1 :              -0.00006128290910
                3d
                   -2 :              -0.00000257432821
                   -1 :              -0.00000056750706
                   +0 :               0.00000637895986
                   +1 :              -0.00000421418553
                   +2 :               0.00000107543005
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 23)  npairs=  14
              1 vec=    -0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00001039565404
                2s
                   +0 :               0.00007031834553
                3s
                   +0 :               0.00004522835708
                2p
                   -1 :              -0.00012581903217
                   +0 :               0.00000237398117
                   +1 :              -0.00012131466806
                3p
                   -1 :               0.00000204503339
                   +0 :               0.00001139657968
                   +1 :               0.00008373021126
                3d
                   -2 :               0.00000458742034
                   -1 :               0.00000907762788
                   +0 :               0.00000475345378
                   +1 :              -0.00000410716087
                   +2 :              -0.00001335069641
              2 vec=    -0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000104047855
                2s
                   +0 :              -0.00016329787109
                3s
                   +0 :              -0.00000015000427
                2p
                   -1 :              -0.00019334048745
                   +0 :              -0.00003145420154
                   +1 :              -0.00011374594351
                3p
                   -1 :              -0.00003354519070
                   +0 :              -0.00019605040159
                   +1 :               0.00007357682282
                3d
                   -2 :               0.00000177684107
                   -1 :              -0.00000530726093
                   +0 :              -0.00005281734347
                   +1 :              -0.00001223756859
                   +2 :               0.00001971569954
              3 vec=    -0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000584547288
                2s
                   +0 :              -0.00029059556417
                3s
                   +0 :              -0.00017663024030
                2p
                   -1 :               0.00004693074501
                   +0 :              -0.00010100264815
                   +1 :              -0.00013754462730
                3p
                   -1 :               0.00013816249191
                   +0 :               0.00033408261145
                   +1 :               0.00009880397524
                3d
                   -2 :              -0.00001090199572
                   -1 :              -0.00004099292980
                   +0 :              -0.00003106961688
                   +1 :              -0.00000170135004
                   +2 :               0.00004054732991
              4 vec=    -0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000161080341
                2s
                   +0 :              -0.00021602001240
                3s
                   +0 :              -0.00005997029681
                2p
                   -1 :              -0.00000841917846
                   +0 :              -0.00030024109062
                   +1 :               0.00002854587967
                3p
                   -1 :               0.00002580628999
                   +0 :               0.00005581993376
                   +1 :              -0.00004859711062
                3d
                   -2 :               0.00002989299169
                   -1 :              -0.00000033152287
                   +0 :              -0.00003000626447
                   +1 :              -0.00000141790142
                   +2 :               0.00000669435909
              5 vec=     7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000865092118
                2s
                   +0 :              -0.00016718222032
                3s
                   +0 :               0.00000540422410
                2p
                   -1 :               0.00010115217504
                   +0 :               0.00001172349720
                   +1 :               0.00017732303397
                3p
                   -1 :              -0.00001414565344
                   +0 :               0.00013062717785
                   +1 :              -0.00013456247247
                3d
                   -2 :               0.00000373456012
                   -1 :              -0.00001385992798
                   +0 :              -0.00001650345583
                   +1 :               0.00001383182772
                   +2 :              -0.00001443212083
              6 vec=     7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00001092152785
                2s
                   +0 :              -0.00003706495563
                3s
                   +0 :              -0.00007576055137
                2p
                   -1 :               0.00009793983664
                   +0 :               0.00005747083114
                   +1 :              -0.00000652488193
                3p
                   -1 :              -0.00008507999145
                   +0 :              -0.00024003998314
                   +1 :              -0.00004334770833
                3d
                   -2 :               0.00000742718102
                   -1 :               0.00000463245326
                   +0 :              -0.00003245053428
                   +1 :              -0.00002955088971
                   +2 :              -0.00001051709584
              7 vec=    -7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000717866894
                2s
                   +0 :              -0.00012826614116
                3s
                   +0 :              -0.00000921165058
                2p
                   -1 :               0.00005809705285
                   +0 :               0.00003813829449
                   +1 :               0.00003567337095
                3p
                   -1 :               0.00001215442933
                   +0 :               0.00005163644893
                   +1 :              -0.00003449669844
                3d
                   -2 :               0.00000599142625
                   -1 :              -0.00001587107936
                   +0 :               0.00000461120349
                   +1 :               0.00000328866697
                   +2 :               0.00000637918493
              8 vec=    -7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00008382107057
                2s
                   +0 :              -0.00071150426308
                3s
                   +0 :               0.00021610896972
                2p
                   -1 :              -0.00000209949942
                   +0 :              -0.00053058252565
                   +1 :               0.00043577559612
                3p
                   -1 :               0.00000345081012
                   +0 :               0.00016341203905
                   +1 :              -0.00025331899011
                3d
                   -2 :               0.00001348923892
                   -1 :               0.00003026331820
                   +0 :              -0.00000167421867
                   +1 :              -0.00000334106349
                   +2 :               0.00000287184055
              9 vec=     7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00003282075141
                2s
                   +0 :               0.00025760054037
                3s
                   +0 :              -0.00010526161308
                2p
                   -1 :               0.00002281322381
                   +0 :              -0.00022622911540
                   +1 :               0.00017299264069
                3p
                   -1 :              -0.00002076525129
                   +0 :               0.00012207735821
                   +1 :              -0.00012074013722
                3d
                   -2 :              -0.00000782723918
                   -1 :               0.00000831110495
                   +0 :              -0.00000654056559
                   +1 :               0.00000763282754
                   +2 :               0.00000317542301
             10 vec=     7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000457663811
                2s
                   +0 :               0.00002497733323
                3s
                   +0 :              -0.00001891679615
                2p
                   -1 :              -0.00012265108142
                   +0 :              -0.00008818137986
                   +1 :               0.00007727869899
                3p
                   -1 :               0.00011344143639
                   +0 :               0.00012829632563
                   +1 :              -0.00006492720004
                3d
                   -2 :              -0.00000029255213
                   -1 :               0.00000594429435
                   +0 :               0.00000543754227
                   +1 :              -0.00001031913017
                   +2 :              -0.00000707091818
             11 vec=    -7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001869853576
                2s
                   +0 :               0.00014660078728
                3s
                   +0 :              -0.00002833221941
                2p
                   -1 :              -0.00004425279277
                   +0 :              -0.00003825058886
                   +1 :              -0.00009801702251
                3p
                   -1 :               0.00000504431407
                   +0 :              -0.00000888646835
                   +1 :               0.00003675415816
                3d
                   -2 :              -0.00000140342463
                   -1 :               0.00000342456408
                   +0 :               0.00000721230889
                   +1 :               0.00000666791343
                   +2 :              -0.00000366796274
             12 vec=    -7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000040213277
                2s
                   +0 :               0.00001124660692
                3s
                   +0 :               0.00000263847410
                2p
                   -1 :              -0.00001059739985
                   +0 :              -0.00000470098547
                   +1 :              -0.00020883443804
                3p
                   -1 :               0.00003415323303
                   +0 :               0.00004411481919
                   +1 :               0.00014103116814
                3d
                   -2 :               0.00000240804925
                   -1 :               0.00000127675768
                   +0 :               0.00001380163419
                   +1 :               0.00001109053706
                   +2 :               0.00000122418078
             13 vec=    -0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001955820047
                2s
                   +0 :               0.00017219039908
                3s
                   +0 :              -0.00003072401432
                2p
                   -1 :               0.00014916070390
                   +0 :              -0.00008166387192
                   +1 :              -0.00000466101108
                3p
                   -1 :              -0.00002817688819
                   +0 :              -0.00002403938801
                   +1 :              -0.00001928606719
                3d
                   -2 :              -0.00000789103917
                   -1 :              -0.00000262826425
                   +0 :               0.00000291419102
                   +1 :               0.00000412125862
                   +2 :              -0.00000254647961
             14 vec=    -0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000122767927
                2s
                   +0 :               0.00003685067387
                3s
                   +0 :               0.00000779370169
                2p
                   -1 :               0.00022464159927
                   +0 :               0.00011569103176
                   +1 :               0.00000200981279
                3p
                   -1 :              -0.00007112214896
                   +0 :               0.00001425950435
                   +1 :              -0.00001817786905
                3d
                   -2 :              -0.00000367257643
                   -1 :              -0.00000192327536
                   +0 :               0.00000367194019
                   +1 :              -0.00000070029227
                   +2 :               0.00000136777945
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 24)  npairs=  14
              1 vec=    -2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00007382360928
                2s
                   +0 :               0.00059996085884
                3s
                   +0 :              -0.00031484965140
                2p
                   -1 :               0.00011654636236
                   +0 :              -0.00036119669855
                   +1 :              -0.00024825865478
                3p
                   -1 :              -0.00005452377779
                   +0 :               0.00030425734672
                   +1 :               0.00009497690657
                3d
                   -2 :               0.00002978852448
                   -1 :               0.00000759307260
                   +0 :              -0.00001730689878
                   +1 :              -0.00002504014404
                   +2 :              -0.00000246112769
              2 vec=    -2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00007393907389
                2s
                   +0 :              -0.00068688737463
                3s
                   +0 :               0.00024625568206
                2p
                   -1 :               0.00018722849422
                   +0 :              -0.00051045141989
                   +1 :              -0.00042558680000
                3p
                   -1 :              -0.00012733635062
                   +0 :               0.00033165259007
                   +1 :               0.00028526228334
                3d
                   -2 :              -0.00000452266268
                   -1 :              -0.00000026432113
                   +0 :               0.00002961642762
                   +1 :               0.00001459866512
                   +2 :               0.00002096484411
              3 vec=     5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00002330864855
                2s
                   +0 :               0.00035023064284
                3s
                   +0 :              -0.00005524430280
                2p
                   -1 :              -0.00045457236548
                   +0 :              -0.00030304201098
                   +1 :               0.00037993341296
                3p
                   -1 :               0.00011773976669
                   +0 :               0.00001869959962
                   +1 :              -0.00008106552014
                3d
                   -2 :              -0.00000666604000
                   -1 :               0.00001303055185
                   +0 :               0.00002051606736
                   +1 :              -0.00001580628904
                   +2 :               0.00000402834723
              4 vec=     5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00007391128475
                2s
                   +0 :              -0.00025623606609
                3s
                   +0 :               0.00030758670573
                2p
                   -1 :              -0.00085694507763
                   +0 :               0.00035913295288
                   +1 :               0.00033642233004
                3p
                   -1 :               0.00032960370966
                   +0 :               0.00014478322798
                   +1 :               0.00008325346765
                3d
                   -2 :               0.00000501258690
                   -1 :              -0.00000251690257
                   +0 :               0.00002857907928
                   +1 :               0.00004600049525
                   +2 :               0.00000571355599
              5 vec=     5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00002963680466
                2s
                   +0 :              -0.00018827297751
                3s
                   +0 :               0.00008203294219
                2p
                   -1 :               0.00011023260859
                   +0 :               0.00020149895399
                   +1 :               0.00020327718627
                3p
                   -1 :              -0.00012710244633
                   +0 :              -0.00020138592914
                   +1 :              -0.00018302841540
                3d
                   -2 :              -0.00000025057329
                   -1 :               0.00001875248045
                   +0 :               0.00003381135022
                   +1 :               0.00000963340557
                   +2 :              -0.00000447935408
              6 vec=     5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000449115757
                2s
                   +0 :              -0.00012471507111
                3s
                   +0 :              -0.00001683446496
                2p
                   -1 :               0.00014889740784
                   +0 :              -0.00038111597852
                   +1 :              -0.00044205788018
                3p
                   -1 :              -0.00014550037558
                   +0 :               0.00026799043340
                   +1 :               0.00026389879245
                3d
                   -2 :              -0.00002046676416
                   -1 :              -0.00000464552545
                   +0 :               0.00002115234939
                   +1 :               0.00000750621133
                   +2 :              -0.00000525575713
              7 vec=    -2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003939431152
                2s
                   +0 :               0.00041077786967
                3s
                   +0 :              -0.00005119638863
                2p
                   -1 :              -0.00001852126935
                   +0 :              -0.00015015613108
                   +1 :               0.00000925401838
                3p
                   -1 :               0.00008947705788
                   +0 :              -0.00001954362922
                   +1 :              -0.00003039781813
                3d
                   -2 :               0.00000771801260
                   -1 :              -0.00000777857612
                   +0 :               0.00000097354175
                   +1 :              -0.00001854976253
                   +2 :               0.00001620054048
              8 vec=    -2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002512956096
                2s
                   +0 :               0.00026364411495
                3s
                   +0 :              -0.00009704874286
                2p
                   -1 :               0.00001649689401
                   +0 :               0.00013543581339
                   +1 :               0.00012472140022
                3p
                   -1 :               0.00005171219742
                   +0 :              -0.00000342213544
                   +1 :               0.00000527595492
                3d
                   -2 :               0.00000473974085
                   -1 :               0.00001221652425
                   +0 :              -0.00001503955277
                   +1 :               0.00000910378583
                   +2 :              -0.00000895021157
              9 vec=    -2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002006399662
                2s
                   +0 :              -0.00021200197705
                3s
                   +0 :               0.00002576348035
                2p
                   -1 :               0.00006719731461
                   +0 :              -0.00009486551942
                   +1 :              -0.00014807734169
                3p
                   -1 :              -0.00002066119821
                   +0 :               0.00012379707975
                   +1 :               0.00019972797705
                3d
                   -2 :              -0.00001870938509
                   -1 :               0.00000362286481
                   +0 :              -0.00000506547040
                   +1 :              -0.00002084676593
                   +2 :               0.00000161710399
             10 vec=    -2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00003412233042
                2s
                   +0 :              -0.00019868918965
                3s
                   +0 :               0.00008339060530
                2p
                   -1 :               0.00032388351514
                   +0 :              -0.00025075633293
                   +1 :              -0.00014894904756
                3p
                   -1 :              -0.00023305287430
                   +0 :               0.00012152115847
                   +1 :               0.00016141364997
                3d
                   -2 :               0.00000940458845
                   -1 :              -0.00002353433718
                   +0 :               0.00001270972692
                   +1 :               0.00000116554894
                   +2 :              -0.00001539322239
             11 vec=   -10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000317136717
                2s
                   +0 :               0.00007580779624
                3s
                   +0 :               0.00005232125073
                2p
                   -1 :               0.00018666673936
                   +0 :               0.00010551154611
                   +1 :              -0.00006186421470
                3p
                   -1 :              -0.00006493626461
                   +0 :              -0.00009424984456
                   +1 :              -0.00003921240083
                3d
                   -2 :              -0.00002157172278
                   -1 :              -0.00001296423405
                   +0 :               0.00000560418303
                   +1 :               0.00001457581396
                   +2 :               0.00001092167635
             12 vec=   -10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000922944647
                2s
                   +0 :              -0.00006544155025
                3s
                   +0 :               0.00002555145943
                2p
                   -1 :              -0.00011119883751
                   +0 :              -0.00002064063197
                   +1 :               0.00004534757363
                3p
                   -1 :               0.00005520531600
                   +0 :               0.00003481199976
                   +1 :              -0.00004309675981
                3d
                   -2 :               0.00000865771217
                   -1 :               0.00000517089933
                   +0 :              -0.00000031539448
                   +1 :              -0.00000096785898
                   +2 :               0.00000685302266
             13 vec=   -10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001739102418
                2s
                   +0 :              -0.00016622769691
                3s
                   +0 :               0.00005963359183
                2p
                   -1 :               0.00013596146543
                   +0 :               0.00014597591688
                   +1 :               0.00010342862898
                3p
                   -1 :              -0.00010072093847
                   +0 :              -0.00009936407380
                   +1 :              -0.00005644689973
                3d
                   -2 :              -0.00000209267683
                   -1 :               0.00000321421947
                   +0 :               0.00001629967631
                   +1 :               0.00000762561042
                   +2 :               0.00000735543633
             14 vec=   -10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000358693026
                2s
                   +0 :              -0.00001154707291
                3s
                   +0 :              -0.00001522576231
                2p
                   -1 :              -0.00002821229189
                   +0 :               0.00002342793614
                   +1 :               0.00010946111059
                3p
                   -1 :               0.00004934242654
                   +0 :              -0.00003266589254
                   +1 :              -0.00005818319825
                3d
                   -2 :               0.00000548070768
                   -1 :               0.00000020632967
                   +0 :              -0.00000011227347
                   +1 :              -0.00000578665550
                   +2 :               0.00000325191130
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 25)  npairs=  15
              1 vec=     5.186256      0.000299      8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00033060109847
                2s
                   +0 :              -0.00248385900727
                3s
                   +0 :               0.00064549377896
                2p
                   -1 :              -0.00004123290446
                   +0 :              -0.00183800406198
                   +1 :              -0.00355148268742
                3p
                   -1 :              -0.00082244535382
                   +0 :              -0.00023606259414
                   +1 :               0.00180990104326
                3d
                   -2 :              -0.00016427938702
                   -1 :              -0.00015790862598
                   +0 :              -0.00009019620694
                   +1 :              -0.00000255809610
                   +2 :               0.00007044276836
              2 vec=    -2.593906     -4.491580      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00004838698602
                2s
                   +0 :               0.00015273244909
                3s
                   +0 :              -0.00031184880140
                2p
                   -1 :               0.00173448420548
                   +0 :              -0.00179668087988
                   +1 :              -0.00018209166743
                3p
                   -1 :              -0.00055799599579
                   +0 :               0.00059955083360
                   +1 :              -0.00003927091045
                3d
                   -2 :              -0.00003699266207
                   -1 :               0.00007005393108
                   +0 :               0.00003423738809
                   +1 :              -0.00010652383137
                   +2 :              -0.00001462201421
              3 vec=    -2.593906      4.492178      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00026903063529
                2s
                   +0 :               0.00277867245732
                3s
                   +0 :              -0.00042881364464
                2p
                   -1 :              -0.00070977146943
                   +0 :               0.00239258741956
                   +1 :              -0.00277410037945
                3p
                   -1 :               0.00058647299723
                   +0 :              -0.00054297008958
                   +1 :               0.00053480356417
                3d
                   -2 :               0.00004356194329
                   -1 :               0.00009195447527
                   +0 :               0.00000720933647
                   +1 :              -0.00008892632462
                   +2 :               0.00010071164999
              4 vec=     5.186256     -8.983459      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00001074442651
                2s
                   +0 :              -0.00038100171125
                3s
                   +0 :              -0.00002989605539
                2p
                   -1 :               0.00054638697209
                   +0 :              -0.00044728146871
                   +1 :               0.00028638439621
                3p
                   -1 :              -0.00031932636133
                   +0 :               0.00026156251660
                   +1 :              -0.00021439626596
                3d
                   -2 :               0.00000352611492
                   -1 :              -0.00001841733922
                   +0 :               0.00006487147445
                   +1 :               0.00000487034646
                   +2 :              -0.00003502402227
              5 vec=     5.186256      8.984057      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000204389255
                2s
                   +0 :               0.00014539191145
                3s
                   +0 :               0.00002857996804
                2p
                   -1 :               0.00002092632726
                   +0 :              -0.00026557850663
                   +1 :              -0.00005285141873
                3p
                   -1 :              -0.00002516152326
                   +0 :               0.00022105911340
                   +1 :               0.00005265591210
                3d
                   -2 :               0.00000094485019
                   -1 :              -0.00000303490492
                   +0 :               0.00002486009997
                   +1 :               0.00002296769794
                   +2 :               0.00001668848022
              6 vec=   -10.374069      0.000299      8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00005299678427
                2s
                   +0 :              -0.00031863184740
                3s
                   +0 :               0.00004103273331
                2p
                   -1 :               0.00044951884904
                   +0 :               0.00009471130399
                   +1 :               0.00019423415119
                3p
                   -1 :              -0.00046013492300
                   +0 :               0.00003958833916
                   +1 :               0.00000551642068
                3d
                   -2 :               0.00000717294039
                   -1 :               0.00000615116207
                   +0 :              -0.00000366234768
                   +1 :               0.00002876022017
                   +2 :              -0.00005768939056
              7 vec=    12.966419     -4.491580      8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00000792455020
                2s
                   +0 :               0.00005470676730
                3s
                   +0 :              -0.00003979813426
                2p
                   -1 :              -0.00004584814664
                   +0 :              -0.00005796735277
                   +1 :              -0.00001084784627
                3p
                   -1 :               0.00005552707312
                   +0 :               0.00007213774711
                   +1 :              -0.00000712814836
                3d
                   -2 :               0.00001215503117
                   -1 :              -0.00000066370564
                   +0 :               0.00000634435043
                   +1 :               0.00000888840723
                   +2 :              -0.00000126570745
              8 vec=    12.966419      4.492178      8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00000839776096
                2s
                   +0 :              -0.00002477471424
                3s
                   +0 :               0.00004142223408
                2p
                   -1 :               0.00003324707307
                   +0 :               0.00009169222827
                   +1 :              -0.00012929802523
                3p
                   -1 :              -0.00002577873349
                   +0 :              -0.00006981025626
                   +1 :               0.00016030116697
                3d
                   -2 :              -0.00001007058554
                   -1 :               0.00000718844832
                   +0 :              -0.00000767249509
                   +1 :              -0.00000922925728
                   +2 :               0.00000737398259
              9 vec=    -2.593906    -13.475338      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00004236501826
                2s
                   +0 :              -0.00028615126599
                3s
                   +0 :               0.00012643996853
                2p
                   -1 :               0.00020036532480
                   +0 :              -0.00014733664026
                   +1 :              -0.00004362105776
                3p
                   -1 :              -0.00011232551849
                   +0 :               0.00009883749483
                   +1 :               0.00005786664885
                3d
                   -2 :               0.00002605886072
                   -1 :              -0.00000970528261
                   +0 :              -0.00000465508980
                   +1 :               0.00000782913373
                   +2 :              -0.00000061065889
             10 vec=   -10.374069     -8.983459      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001971175034
                2s
                   +0 :              -0.00013692198933
                3s
                   +0 :               0.00003967679197
                2p
                   -1 :              -0.00009945461945
                   +0 :              -0.00010788222520
                   +1 :               0.00021950145978
                3p
                   -1 :               0.00006769540157
                   +0 :               0.00004061356501
                   +1 :              -0.00012663529475
                3d
                   -2 :              -0.00000110541004
                   -1 :               0.00000087965579
                   +0 :               0.00000169483279
                   +1 :              -0.00001107024217
                   +2 :               0.00000912525857
             11 vec=    -2.593906     13.475936      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00000566008001
                2s
                   +0 :               0.00009964966438
                3s
                   +0 :               0.00000045735235
                2p
                   -1 :               0.00008014343960
                   +0 :               0.00024693326990
                   +1 :              -0.00010121446173
                3p
                   -1 :              -0.00001330670530
                   +0 :              -0.00012904460484
                   +1 :               0.00009681183884
                3d
                   -2 :               0.00000391687894
                   -1 :               0.00000415632899
                   +0 :               0.00000476977642
                   +1 :               0.00000730852837
                   +2 :              -0.00000035279874
             12 vec=   -10.374069      8.984057      8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00001145064486
                2s
                   +0 :               0.00007895034063
                3s
                   +0 :              -0.00001804400363
                2p
                   -1 :              -0.00021235716607
                   +0 :               0.00027529534362
                   +1 :              -0.00000967608579
                3p
                   -1 :               0.00020659234102
                   +0 :              -0.00017452342695
                   +1 :              -0.00003465278176
                3d
                   -2 :              -0.00001445861772
                   -1 :               0.00001326470375
                   +0 :              -0.00001773540352
                   +1 :               0.00001316613675
                   +2 :              -0.00001056075793
             13 vec=     5.186256      0.000299    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000192272507
                2s
                   +0 :               0.00004263726130
                3s
                   +0 :               0.00002341734263
                2p
                   -1 :              -0.00007444599184
                   +0 :              -0.00003048506089
                   +1 :              -0.00005620696967
                3p
                   -1 :               0.00003028061215
                   +0 :              -0.00003900357712
                   +1 :               0.00005410539185
                3d
                   -2 :              -0.00000001422751
                   -1 :               0.00000424520175
                   +0 :               0.00000033776146
                   +1 :              -0.00000325833285
                   +2 :               0.00000023992330
             14 vec=    -2.593906     -4.491580    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001389122861
                2s
                   +0 :              -0.00010246608473
                3s
                   +0 :               0.00003522447732
                2p
                   -1 :              -0.00000168981713
                   +0 :               0.00002591428425
                   +1 :               0.00002271645414
                3p
                   -1 :              -0.00001468881438
                   +0 :               0.00000848173115
                   +1 :               0.00000397786505
                3d
                   -2 :              -0.00000616075998
                   -1 :               0.00000025661577
                   +0 :              -0.00000241384723
                   +1 :              -0.00000304913513
                   +2 :              -0.00000137837376
             15 vec=    -2.593906      4.492178    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001891939548
                2s
                   +0 :              -0.00014770319328
                3s
                   +0 :               0.00005799442401
                2p
                   -1 :              -0.00003735984545
                   +0 :               0.00010331045349
                   +1 :              -0.00009411492909
                3p
                   -1 :               0.00001582662630
                   +0 :              -0.00006394247368
                   +1 :               0.00006101890402
                3d
                   -2 :              -0.00000536364595
                   -1 :               0.00000230897752
                   +0 :              -0.00000399436068
                   +1 :              -0.00000116179342
                   +2 :               0.00000172778537
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 26)  npairs=  14
              1 vec=     0.419091      0.000299      8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00038524891440
                2s
                   +0 :              -0.00234388844928
                3s
                   +0 :               0.00084169085504
                2p
                   -1 :              -0.00269336933696
                   +0 :              -0.00143712992841
                   +1 :               0.00082533235220
                3p
                   -1 :               0.00103120322229
                   +0 :               0.00040515754952
                   +1 :              -0.00083233235253
                3d
                   -2 :               0.00010680396927
                   -1 :               0.00000515708020
                   +0 :              -0.00021332983664
                   +1 :              -0.00006811563561
                   +2 :              -0.00006240975717
              2 vec=    -7.361071     -4.491580      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00004044807893
                2s
                   +0 :              -0.00063041539341
                3s
                   +0 :               0.00010102290698
                2p
                   -1 :               0.00046655016440
                   +0 :              -0.00033980141534
                   +1 :              -0.00002426650640
                3p
                   -1 :              -0.00053059703737
                   +0 :              -0.00001466619284
                   +1 :               0.00019655095766
                3d
                   -2 :               0.00005002933590
                   -1 :              -0.00003001399718
                   +0 :              -0.00001726712983
                   +1 :               0.00001548248356
                   +2 :              -0.00004915409106
              3 vec=    -7.361071      4.492178      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00007297052015
                2s
                   +0 :              -0.00025823376573
                3s
                   +0 :               0.00016131492313
                2p
                   -1 :               0.00020937508965
                   +0 :              -0.00015425767657
                   +1 :              -0.00120241294574
                3p
                   -1 :              -0.00036451367013
                   +0 :               0.00007067047487
                   +1 :               0.00085567276366
                3d
                   -2 :               0.00008070272261
                   -1 :              -0.00006846177429
                   +0 :               0.00001301471078
                   +1 :               0.00000763485306
                   +2 :               0.00002047120296
              4 vec=     0.419091     -8.983459      8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00028882516363
                2s
                   +0 :               0.00145473593054
                3s
                   +0 :              -0.00100752860612
                2p
                   -1 :              -0.00091103317066
                   +0 :               0.00077373003913
                   +1 :              -0.00179149865266
                3p
                   -1 :               0.00098779920452
                   +0 :              -0.00071261991415
                   +1 :               0.00150859232209
                3d
                   -2 :              -0.00009181399019
                   -1 :               0.00015024135454
                   +0 :              -0.00006883692788
                   +1 :               0.00012745780495
                   +2 :               0.00004757533815
              5 vec=     0.419091      8.984057      8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00013955488465
                2s
                   +0 :               0.00142401677544
                3s
                   +0 :              -0.00036268056112
                2p
                   -1 :               0.00107184192490
                   +0 :               0.00065745696631
                   +1 :               0.00059858494976
                3p
                   -1 :              -0.00048094667556
                   +0 :              -0.00009629137830
                   +1 :              -0.00040252419433
                3d
                   -2 :              -0.00002973630359
                   -1 :              -0.00002936386342
                   +0 :               0.00003892081726
                   +1 :              -0.00000398184126
                   +2 :               0.00002174217501
              6 vec=     8.199254     -4.491580      8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00000199014684
                2s
                   +0 :              -0.00027602139199
                3s
                   +0 :               0.00000537150450
                2p
                   -1 :              -0.00050232203824
                   +0 :              -0.00052211336056
                   +1 :              -0.00025203200450
                3p
                   -1 :               0.00032216425216
                   +0 :               0.00030043318798
                   +1 :               0.00006219256491
                3d
                   -2 :               0.00000312903438
                   -1 :              -0.00001468903824
                   +0 :              -0.00002449634170
                   +1 :               0.00000385356129
                   +2 :               0.00002594143584
              7 vec=     8.199254      4.492178      8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00004736675875
                2s
                   +0 :              -0.00015157840461
                3s
                   +0 :               0.00015487130959
                2p
                   -1 :               0.00015430593212
                   +0 :               0.00035614527720
                   +1 :               0.00086377307554
                3p
                   -1 :              -0.00025038199525
                   +0 :              -0.00025420666051
                   +1 :              -0.00057280985090
                3d
                   -2 :              -0.00002762646932
                   -1 :              -0.00000984747543
                   +0 :              -0.00000105382487
                   +1 :              -0.00002329992150
                   +2 :               0.00000497063866
              8 vec=     0.419091      0.000299    -16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00001572091371
                2s
                   +0 :              -0.00009248612326
                3s
                   +0 :               0.00004710329426
                2p
                   -1 :               0.00001714252677
                   +0 :              -0.00000907156543
                   +1 :               0.00007866679181
                3p
                   -1 :              -0.00003427703678
                   +0 :               0.00001262971469
                   +1 :              -0.00006829854654
                3d
                   -2 :               0.00000151935023
                   -1 :               0.00000202092664
                   +0 :              -0.00000027163580
                   +1 :               0.00000532468414
                   +2 :               0.00000428959985
              9 vec=   -15.141234      0.000299      8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00002506423964
                2s
                   +0 :              -0.00017885460094
                3s
                   +0 :               0.00009737742975
                2p
                   -1 :               0.00001529646560
                   +0 :              -0.00002509920938
                   +1 :               0.00005623776280
                3p
                   -1 :              -0.00003122238735
                   +0 :               0.00002307246591
                   +1 :              -0.00001751898817
                3d
                   -2 :               0.00000558908080
                   -1 :              -0.00000495853365
                   +0 :              -0.00000052217789
                   +1 :               0.00000276973008
                   +2 :              -0.00000535297961
             10 vec=    -7.361071    -13.475338      8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00002181951283
                2s
                   +0 :              -0.00016106166252
                3s
                   +0 :               0.00005771992853
                2p
                   -1 :               0.00008701647404
                   +0 :              -0.00000277978477
                   +1 :               0.00026052369288
                3p
                   -1 :              -0.00001491169983
                   +0 :              -0.00002698749307
                   +1 :              -0.00020333920730
                3d
                   -2 :               0.00000374364392
                   -1 :               0.00001736958670
                   +0 :               0.00000472764061
                   +1 :              -0.00000267072407
                   +2 :               0.00001745449718
             11 vec=    -7.361071     13.475936      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000073027530
                2s
                   +0 :               0.00007082967996
                3s
                   +0 :               0.00001429035148
                2p
                   -1 :               0.00001851628194
                   +0 :               0.00010040046550
                   +1 :              -0.00003696949726
                3p
                   -1 :               0.00004169523602
                   +0 :              -0.00000336663883
                   +1 :              -0.00003471856588
                3d
                   -2 :              -0.00001095126408
                   -1 :              -0.00000122025872
                   +0 :              -0.00000315840000
                   +1 :              -0.00000552489232
                   +2 :              -0.00000279994479
             12 vec=     8.199254    -13.475338      8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00000312223268
                2s
                   +0 :              -0.00000809626986
                3s
                   +0 :              -0.00001521793636
                2p
                   -1 :              -0.00005668307143
                   +0 :               0.00010684743267
                   +1 :              -0.00004966657917
                3p
                   -1 :               0.00006806298087
                   +0 :              -0.00010423528869
                   +1 :               0.00002881432307
                3d
                   -2 :               0.00000141839406
                   -1 :               0.00000678233747
                   +0 :              -0.00000759619073
                   +1 :              -0.00000080925106
                   +2 :               0.00000950343589
             13 vec=     8.199254     13.475936      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00001652529525
                2s
                   +0 :               0.00012134744581
                3s
                   +0 :              -0.00002249632589
                2p
                   -1 :               0.00003890122654
                   +0 :               0.00005224642397
                   +1 :               0.00007361371754
                3p
                   -1 :              -0.00001668047339
                   +0 :               0.00001812499728
                   +1 :              -0.00000339160972
                3d
                   -2 :               0.00000166902042
                   -1 :              -0.00000033602510
                   +0 :               0.00000380674886
                   +1 :               0.00000331423245
                   +2 :               0.00000171866793
             14 vec=    15.979417      0.000299      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000192179280
                2s
                   +0 :              -0.00002028504430
                3s
                   +0 :               0.00000280579318
                2p
                   -1 :              -0.00002853812921
                   +0 :              -0.00004481433852
                   +1 :              -0.00002476882016
                3p
                   -1 :               0.00001335610248
                   +0 :               0.00002946859798
                   +1 :               0.00000412403591
                3d
                   -2 :               0.00000119838409
                   -1 :               0.00000257034767
                   +0 :               0.00000229970361
                   +1 :              -0.00000152615181
                   +2 :              -0.00000013125868
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 27)  npairs=  15
              1 vec=     2.802674      4.128785      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00034651701920
                2s
                   +0 :               0.00333325203708
                3s
                   +0 :              -0.00063785110079
                2p
                   -1 :              -0.00106626807821
                   +0 :               0.00373323755758
                   +1 :               0.00298560131350
                3p
                   -1 :               0.00080446080086
                   +0 :              -0.00086515430601
                   +1 :              -0.00039960147792
                3d
                   -2 :               0.00001234047148
                   -1 :               0.00003244875401
                   +0 :              -0.00007575149328
                   +1 :               0.00014957881953
                   +2 :               0.00003294441112
              2 vec=    -4.977489     -0.363094      8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00009577799119
                2s
                   +0 :              -0.00126690387770
                3s
                   +0 :              -0.00005778251121
                2p
                   -1 :              -0.00321803029632
                   +0 :              -0.00120814562690
                   +1 :               0.00262610656651
                3p
                   -1 :               0.00204299936018
                   +0 :              -0.00091139427839
                   +1 :              -0.00075114536947
                3d
                   -2 :               0.00005877932198
                   -1 :               0.00014576571752
                   +0 :              -0.00002463796093
                   +1 :               0.00005481550958
                   +2 :              -0.00009572626735
              3 vec=     2.802674     -4.854973      8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00013201188402
                2s
                   +0 :              -0.00072227647029
                3s
                   +0 :               0.00013753695781
                2p
                   -1 :               0.00198560980475
                   +0 :               0.00044510768938
                   +1 :               0.00122077186869
                3p
                   -1 :              -0.00113265296102
                   +0 :              -0.00109351173573
                   +1 :              -0.00093778789612
                3d
                   -2 :              -0.00009122498768
                   -1 :              -0.00001406914545
                   +0 :               0.00006944603593
                   +1 :               0.00005661710549
                   +2 :               0.00005945627129
              4 vec=    -4.977489      8.620664      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00011516348683
                2s
                   +0 :               0.00101043783259
                3s
                   +0 :              -0.00036802014500
                2p
                   -1 :               0.00071256115602
                   +0 :               0.00018036423471
                   +1 :              -0.00012684107146
                3p
                   -1 :              -0.00052461685372
                   +0 :              -0.00014965815599
                   +1 :               0.00004913646480
                3d
                   -2 :               0.00001011983070
                   -1 :              -0.00004722006102
                   +0 :              -0.00000585451403
                   +1 :               0.00000640578010
                   +2 :               0.00000665421184
              5 vec=    10.582837     -0.363094      8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00000761042880
                2s
                   +0 :              -0.00011570887659
                3s
                   +0 :              -0.00003958259564
                2p
                   -1 :               0.00020183874541
                   +0 :               0.00001382756889
                   +1 :              -0.00012859660882
                3p
                   -1 :              -0.00020624291717
                   +0 :               0.00005918521495
                   +1 :              -0.00000012277602
                3d
                   -2 :               0.00001700374822
                   -1 :              -0.00000974502313
                   +0 :               0.00000885316598
                   +1 :              -0.00001316336170
                   +2 :              -0.00002802249584
              6 vec=    -4.977489     -9.346852      8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00003144333649
                2s
                   +0 :              -0.00044110074863
                3s
                   +0 :               0.00004616520720
                2p
                   -1 :               0.00009231940361
                   +0 :               0.00018743924200
                   +1 :              -0.00006826058563
                3p
                   -1 :               0.00015344402895
                   +0 :              -0.00026144059579
                   +1 :               0.00012055995553
                3d
                   -2 :               0.00001371822480
                   -1 :              -0.00001713110508
                   +0 :               0.00002697841942
                   +1 :               0.00003707306824
                   +2 :               0.00002198875072
              7 vec=     2.802674     13.112543      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00001954507944
                2s
                   +0 :               0.00019158043338
                3s
                   +0 :              -0.00004006012534
                2p
                   -1 :               0.00025209885588
                   +0 :               0.00024272881578
                   +1 :               0.00006332122306
                3p
                   -1 :              -0.00013431713818
                   +0 :              -0.00015596446305
                   +1 :              -0.00003535670769
                3d
                   -2 :               0.00000574280969
                   -1 :              -0.00000793468379
                   +0 :              -0.00001072120736
                   +1 :              -0.00001011331204
                   +2 :               0.00000250862734
              8 vec=   -12.757651      4.128785      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00001383799981
                2s
                   +0 :              -0.00007391214229
                3s
                   +0 :               0.00006356631056
                2p
                   -1 :              -0.00024140045313
                   +0 :              -0.00009130018917
                   +1 :               0.00001972521968
                3p
                   -1 :               0.00018586606028
                   +0 :               0.00009722361255
                   +1 :              -0.00005370132877
                3d
                   -2 :               0.00001062936269
                   -1 :              -0.00000056460529
                   +0 :               0.00001016166250
                   +1 :              -0.00000427178469
                   +2 :               0.00000233037931
              9 vec=    10.582837      8.620664      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00004941553344
                2s
                   +0 :              -0.00033369126532
                3s
                   +0 :               0.00017206863643
                2p
                   -1 :              -0.00014985048953
                   +0 :              -0.00001252731729
                   +1 :              -0.00009247178394
                3p
                   -1 :               0.00013400509220
                   +0 :               0.00003063049131
                   +1 :               0.00006922794287
                3d
                   -2 :               0.00000561160471
                   -1 :              -0.00000735513193
                   +0 :               0.00000036614693
                   +1 :               0.00000398361180
                   +2 :              -0.00001364807757
             10 vec=   -12.757651     -4.854973      8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00003380933347
                2s
                   +0 :               0.00022082115629
                3s
                   +0 :              -0.00010835462046
                2p
                   -1 :               0.00001013372378
                   +0 :               0.00001815146322
                   +1 :              -0.00007750807046
                3p
                   -1 :              -0.00000934706627
                   +0 :               0.00002592852284
                   +1 :               0.00004780513215
                3d
                   -2 :               0.00000307999823
                   -1 :              -0.00001194721303
                   +0 :              -0.00000799622277
                   +1 :              -0.00000176853990
                   +2 :               0.00000920359569
             11 vec=    10.582837     -9.346852      8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00002900552176
                2s
                   +0 :              -0.00020988507823
                3s
                   +0 :               0.00008038948265
                2p
                   -1 :               0.00023376555105
                   +0 :              -0.00008505184401
                   +1 :              -0.00016163531952
                3p
                   -1 :              -0.00018281263440
                   +0 :               0.00001448556151
                   +1 :               0.00007796449485
                3d
                   -2 :              -0.00001136958983
                   -1 :              -0.00001198799179
                   +0 :              -0.00001319162543
                   +1 :               0.00000082970201
                   +2 :              -0.00000296394762
             12 vec=     2.802674    -13.838731      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00004133064881
                2s
                   +0 :               0.00018571128278
                3s
                   +0 :              -0.00015156190443
                2p
                   -1 :               0.00008172072423
                   +0 :               0.00009796278258
                   +1 :               0.00022601433454
                3p
                   -1 :               0.00000502777233
                   +0 :              -0.00013225764028
                   +1 :              -0.00021038985751
                3d
                   -2 :              -0.00000034744913
                   -1 :               0.00000647374383
                   +0 :              -0.00000486077328
                   +1 :              -0.00001254465069
                   +2 :              -0.00000170372848
             13 vec=     2.802674      4.128785    -16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000997734821
                2s
                   +0 :               0.00004503219155
                3s
                   +0 :              -0.00003487043360
                2p
                   -1 :              -0.00006255249109
                   +0 :              -0.00003954016959
                   +1 :              -0.00000812525956
                3p
                   -1 :               0.00002977703501
                   +0 :               0.00002608252629
                   +1 :               0.00001545584436
                3d
                   -2 :              -0.00000239323029
                   -1 :               0.00000260879409
                   +0 :              -0.00000853589210
                   +1 :              -0.00000433970727
                   +2 :              -0.00000289992074
             14 vec=    -4.977489     -0.363094    -16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000042450126
                2s
                   +0 :               0.00004068005083
                3s
                   +0 :               0.00001348076600
                2p
                   -1 :              -0.00006847860359
                   +0 :              -0.00004431150397
                   +1 :              -0.00002501959231
                3p
                   -1 :               0.00003051668885
                   +0 :              -0.00000780571118
                   +1 :               0.00001629625946
                3d
                   -2 :              -0.00000100545903
                   -1 :              -0.00000324098251
                   +0 :               0.00000153386935
                   +1 :              -0.00000157999491
                   +2 :              -0.00000329186333
             15 vec=     2.802674     -4.854973    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00001108976587
                2s
                   +0 :              -0.00007915082223
                3s
                   +0 :               0.00001688737218
                2p
                   -1 :              -0.00003358506967
                   +0 :              -0.00002862663460
                   +1 :              -0.00007269529764
                3p
                   -1 :               0.00001218319493
                   +0 :               0.00007919133751
                   +1 :               0.00002299122798
                3d
                   -2 :               0.00000364487440
                   -1 :               0.00000189646877
                   +0 :              -0.00000697895750
                   +1 :               0.00000145762311
                   +2 :              -0.00000463360983
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 28)  npairs=  14
              1 vec=     0.418573      2.752923     -4.091257   |vec|=    4.948957
                1s
                   +0 :              -0.00163692698155
                2s
                   +0 :               0.05062393046420
                3s
                   +0 :              -0.00319246025944
                2p
                   -1 :               0.00991089208556
                   +0 :              -0.03511573240275
                   +1 :               0.00288170733287
                3p
                   -1 :              -0.00007701012585
                   +0 :               0.00570415318663
                   +1 :              -0.00209555307422
                3d
                   -2 :               0.00015483208620
                   -1 :              -0.00046958893150
                   +0 :               0.00147942460640
                   +1 :               0.00030948834470
                   +2 :              -0.00066517115181
              2 vec=     0.418573     -6.230835     -4.091257   |vec|=    7.465715
                1s
                   +0 :              -0.00001557147310
                2s
                   +0 :              -0.00030674984048
                3s
                   +0 :               0.00009602810257
                2p
                   -1 :               0.00479751007920
                   +0 :              -0.00332832183919
                   +1 :               0.00312077760229
                3p
                   -1 :              -0.00230416937235
                   +0 :               0.00444970760066
                   +1 :              -0.00311712387922
                3d
                   -2 :              -0.00001944430780
                   -1 :               0.00037027364951
                   +0 :              -0.00038694486562
                   +1 :              -0.00012778040025
                   +2 :              -0.00033356184213
              3 vec=    -7.361590     -1.738956     -4.091257   |vec|=    8.599730
                1s
                   +0 :              -0.00022907110848
                2s
                   +0 :               0.00176019600577
                3s
                   +0 :              -0.00104944253456
                2p
                   -1 :              -0.00101873581439
                   +0 :              -0.00498859453912
                   +1 :              -0.00015603609165
                3p
                   -1 :               0.00055242921082
                   +0 :               0.00280055618503
                   +1 :               0.00065778330566
                3d
                   -2 :              -0.00009660205148
                   -1 :               0.00002186598370
                   +0 :               0.00009186643380
                   +1 :              -0.00028699766348
                   +2 :              -0.00007080487109
              4 vec=     8.198735     -1.738956     -4.091257   |vec|=    9.326393
                1s
                   +0 :              -0.00011697710697
                2s
                   +0 :               0.00061780950856
                3s
                   +0 :              -0.00049896794580
                2p
                   -1 :              -0.00181765939337
                   +0 :               0.00021265304578
                   +1 :               0.00089126051043
                3p
                   -1 :               0.00165403685222
                   +0 :              -0.00064760427170
                   +1 :              -0.00122674065962
                3d
                   -2 :               0.00011656129840
                   -1 :              -0.00001701826331
                   +0 :               0.00008192871861
                   +1 :              -0.00003714507390
                   +2 :              -0.00008052432379
              5 vec=    -7.361590      7.244802     -4.091257   |vec|=   11.109390
                1s
                   +0 :               0.00018215515749
                2s
                   +0 :              -0.00065723513268
                3s
                   +0 :               0.00058502348522
                2p
                   -1 :              -0.00006873440324
                   +0 :              -0.00064569973296
                   +1 :               0.00033720429119
                3p
                   -1 :               0.00016254421247
                   +0 :               0.00009531304791
                   +1 :              -0.00072640426092
                3d
                   -2 :              -0.00003303019691
                   -1 :               0.00000246595621
                   +0 :               0.00000049552260
                   +1 :               0.00000501037339
                   +2 :               0.00003643870868
              6 vec=     8.198735      7.244802     -4.091257   |vec|=   11.680959
                1s
                   +0 :               0.00008817119627
                2s
                   +0 :              -0.00029286090905
                3s
                   +0 :               0.00018492020603
                2p
                   -1 :               0.00019698687018
                   +0 :               0.00028076468247
                   +1 :              -0.00061444512038
                3p
                   -1 :              -0.00019767586802
                   +0 :              -0.00026124914874
                   +1 :               0.00076588514439
                3d
                   -2 :               0.00003861172031
                   -1 :               0.00000148483838
                   +0 :              -0.00007249560265
                   +1 :               0.00003863259626
                   +2 :               0.00001688164105
              7 vec=     0.418573     11.736681     -4.091257   |vec|=   12.436369
                1s
                   +0 :              -0.00001295368199
                2s
                   +0 :               0.00056221035322
                3s
                   +0 :               0.00001999781625
                2p
                   -1 :               0.00076991725878
                   +0 :              -0.00060076088624
                   +1 :              -0.00014251228104
                3p
                   -1 :              -0.00052488909470
                   +0 :               0.00053180089531
                   +1 :               0.00012674622904
                3d
                   -2 :               0.00000219670780
                   -1 :               0.00008223331097
                   +0 :              -0.00002916288939
                   +1 :               0.00000325039216
                   +2 :               0.00000524712289
              8 vec=    -7.361590    -10.722714     -4.091257   |vec|=   13.634808
                1s
                   +0 :              -0.00002799888037
                2s
                   +0 :              -0.00025045837791
                3s
                   +0 :              -0.00017247323007
                2p
                   -1 :              -0.00011862431194
                   +0 :               0.00059095592855
                   +1 :              -0.00008606599264
                3p
                   -1 :               0.00012027450352
                   +0 :              -0.00009254980392
                   +1 :               0.00030552192771
                3d
                   -2 :              -0.00000953791944
                   -1 :               0.00000391561511
                   +0 :              -0.00000797797636
                   +1 :              -0.00003144122652
                   +2 :              -0.00001057911959
              9 vec=     8.198735    -10.722714     -4.091257   |vec|=   14.104405
                1s
                   +0 :               0.00006136653834
                2s
                   +0 :              -0.00057633787063
                3s
                   +0 :               0.00014849603102
                2p
                   -1 :               0.00007361024061
                   +0 :               0.00022527591685
                   +1 :              -0.00046192289453
                3p
                   -1 :              -0.00007173855392
                   +0 :              -0.00003783662172
                   +1 :               0.00028661486977
                3d
                   -2 :              -0.00003571645733
                   -1 :               0.00000127102231
                   +0 :              -0.00001377700826
                   +1 :              -0.00001521534713
                   +2 :              -0.00000183622849
             10 vec=     0.418573    -15.214593     -4.091257   |vec|=   15.760629
                1s
                   +0 :               0.00000478771184
                2s
                   +0 :              -0.00007195506986
                3s
                   +0 :               0.00000177783892
                2p
                   -1 :               0.00006472337454
                   +0 :               0.00005587660287
                   +1 :               0.00011918511090
                3p
                   -1 :              -0.00002592908001
                   +0 :               0.00001658603059
                   +1 :              -0.00011193177785
                3d
                   -2 :               0.00000674399513
                   -1 :               0.00000491529104
                   +0 :              -0.00000113287791
                   +1 :               0.00000779471784
                   +2 :               0.00000944920513
             11 vec=   -15.141753      2.752923     -4.091257   |vec|=   15.924498
                1s
                   +0 :              -0.00002304855368
                2s
                   +0 :               0.00011254535490
                3s
                   +0 :              -0.00005779694873
                2p
                   -1 :              -0.00007477767991
                   +0 :              -0.00012604600249
                   +1 :               0.00003628083341
                3p
                   -1 :               0.00002729954549
                   +0 :               0.00008359162537
                   +1 :              -0.00003941691436
                3d
                   -2 :              -0.00000685862920
                   -1 :               0.00000545074833
                   +0 :              -0.00000266761224
                   +1 :              -0.00001340553708
                   +2 :               0.00000235406879
             12 vec=    15.978898      2.752923     -4.091257   |vec|=   16.722504
                1s
                   +0 :               0.00001148910909
                2s
                   +0 :              -0.00007029531478
                3s
                   +0 :               0.00003499579376
                2p
                   -1 :              -0.00017468026899
                   +0 :              -0.00001931140633
                   +1 :               0.00005567982300
                3p
                   -1 :               0.00012732900757
                   +0 :              -0.00000020364588
                   +1 :              -0.00006005982271
                3d
                   -2 :               0.00000193702342
                   -1 :               0.00000263152851
                   +0 :               0.00000400028731
                   +1 :               0.00000258843902
                   +2 :              -0.00000713013910
             13 vec=   -15.141753     -6.230835     -4.091257   |vec|=   16.877036
                1s
                   +0 :               0.00000910431386
                2s
                   +0 :              -0.00006915069829
                3s
                   +0 :               0.00003221182017
                2p
                   -1 :              -0.00003866584658
                   +0 :               0.00001750250651
                   +1 :               0.00015725506805
                3p
                   -1 :               0.00004400884337
                   +0 :              -0.00000073711105
                   +1 :              -0.00012611820274
                3d
                   -2 :              -0.00000514642572
                   -1 :              -0.00000112707569
                   +0 :              -0.00000234845259
                   +1 :              -0.00000453757235
                   +2 :               0.00000129792318
             14 vec=    15.978898     -6.230835     -4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00001107098792
                2s
                   +0 :              -0.00008869481521
                3s
                   +0 :               0.00002569282926
                2p
                   -1 :               0.00010099319274
                   +0 :               0.00003407659797
                   +1 :              -0.00006462110063
                3p
                   -1 :              -0.00007754917156
                   +0 :              -0.00000992532091
                   +1 :               0.00003606811233
                3d
                   -2 :              -0.00000900115011
                   -1 :              -0.00000279478297
                   +0 :              -0.00000327126447
                   +1 :              -0.00000128811462
                   +2 :               0.00000358354645
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 29)  npairs=  14
              1 vec=    -2.593388     -1.738956     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00297536646518
                2s
                   +0 :              -0.03439736635257
                3s
                   +0 :               0.00620430142150
                2p
                   -1 :               0.00233069004711
                   +0 :               0.01239572407996
                   +1 :               0.01093328646305
                3p
                   -1 :              -0.00299591492535
                   +0 :               0.00219655901219
                   +1 :              -0.00062610107659
                3d
                   -2 :               0.00016573243331
                   -1 :               0.00082310121692
                   +0 :              -0.00143341363179
                   +1 :              -0.00166208895459
                   +2 :              -0.00078375802745
              2 vec=     5.186775      2.752923     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00061471289927
                2s
                   +0 :               0.00430497171130
                3s
                   +0 :              -0.00266412536392
                2p
                   -1 :               0.00374384276971
                   +0 :              -0.00586352972670
                   +1 :               0.00240610106579
                3p
                   -1 :              -0.00316891127027
                   +0 :               0.00421830540844
                   +1 :              -0.00172921835499
                3d
                   -2 :              -0.00006067191213
                   -1 :               0.00047963180900
                   +0 :              -0.00029913059517
                   +1 :               0.00051651821351
                   +2 :               0.00003437535309
              3 vec=    -2.593388      7.244802     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00007097822339
                2s
                   +0 :               0.00031424885222
                3s
                   +0 :               0.00006487427628
                2p
                   -1 :               0.00171844999413
                   +0 :              -0.00334018458329
                   +1 :              -0.00063235601398
                3p
                   -1 :              -0.00075374807436
                   +0 :               0.00063546518800
                   +1 :               0.00112429031023
                3d
                   -2 :               0.00011824372401
                   -1 :               0.00004212079575
                   +0 :               0.00014282185856
                   +1 :              -0.00012212000340
                   +2 :               0.00013906219286
              4 vec=     5.186775     -6.230835     -4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00035690318455
                2s
                   +0 :              -0.00198438957543
                3s
                   +0 :               0.00068549492206
                2p
                   -1 :              -0.00130321365950
                   +0 :               0.00241687092911
                   +1 :              -0.00066102666371
                3p
                   -1 :               0.00096881818211
                   +0 :              -0.00016246791186
                   +1 :               0.00019230413431
                3d
                   -2 :               0.00016751523802
                   -1 :              -0.00015477190048
                   +0 :              -0.00001464629657
                   +1 :               0.00022091697223
                   +2 :               0.00000533450813
              5 vec=   -10.373550      2.752923     -4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00016056147429
                2s
                   +0 :              -0.00081988229473
                3s
                   +0 :               0.00038101406476
                2p
                   -1 :              -0.00047957888451
                   +0 :              -0.00063381847544
                   +1 :               0.00063730238285
                3p
                   -1 :               0.00023338846666
                   +0 :               0.00049323718252
                   +1 :              -0.00038352755313
                3d
                   -2 :               0.00002461999821
                   -1 :               0.00003644394338
                   +0 :               0.00007175241120
                   +1 :              -0.00005352700637
                   +2 :              -0.00000911903525
              6 vec=    -2.593388    -10.722714     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00000687485003
                2s
                   +0 :              -0.00016342430369
                3s
                   +0 :              -0.00011764485101
                2p
                   -1 :               0.00063660685458
                   +0 :               0.00065540482825
                   +1 :               0.00012320013952
                3p
                   -1 :              -0.00037073663762
                   +0 :              -0.00052799128561
                   +1 :              -0.00005315016183
                3d
                   -2 :              -0.00004142151535
                   -1 :               0.00001520290526
                   +0 :               0.00008892288339
                   +1 :               0.00002381655478
                   +2 :               0.00003954029245
              7 vec=   -10.373550     -6.230835     -4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00005478723401
                2s
                   +0 :              -0.00042752553997
                3s
                   +0 :               0.00017641462097
                2p
                   -1 :               0.00013957634768
                   +0 :              -0.00019127010694
                   +1 :              -0.00007349695671
                3p
                   -1 :              -0.00010189316216
                   +0 :               0.00016189517931
                   +1 :               0.00006135296299
                3d
                   -2 :              -0.00000882269663
                   -1 :              -0.00001532796994
                   +0 :              -0.00000647858070
                   +1 :               0.00000648295325
                   +2 :              -0.00000359142824
              8 vec=     5.186775     11.736681     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00001829697167
                2s
                   +0 :               0.00023869428793
                3s
                   +0 :               0.00016523065358
                2p
                   -1 :              -0.00022802778372
                   +0 :              -0.00016503018195
                   +1 :              -0.00017728738475
                3p
                   -1 :               0.00035152563187
                   +0 :              -0.00013415800604
                   +1 :               0.00011874169291
                3d
                   -2 :               0.00000606247463
                   -1 :              -0.00001367044814
                   +0 :               0.00003712420258
                   +1 :               0.00001973461571
                   +2 :              -0.00001754226245
              9 vec=    12.966938     -1.738956     -4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00010642494865
                2s
                   +0 :              -0.00078887352736
                3s
                   +0 :               0.00030631042803
                2p
                   -1 :              -0.00017974162576
                   +0 :               0.00014690209741
                   +1 :              -0.00027344790337
                3p
                   -1 :               0.00014320376679
                   +0 :              -0.00008544261308
                   +1 :               0.00008739403765
                3d
                   -2 :               0.00003531553123
                   -1 :              -0.00000085683921
                   +0 :              -0.00000346244777
                   +1 :              -0.00000481374187
                   +2 :               0.00000362525512
             10 vec=    12.966938      7.244802     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00001116007013
                2s
                   +0 :               0.00008141557055
                3s
                   +0 :               0.00000479304423
                2p
                   -1 :              -0.00008881455001
                   +0 :              -0.00010803078633
                   +1 :               0.00008359342518
                3p
                   -1 :               0.00006216210478
                   +0 :               0.00006982616514
                   +1 :              -0.00001036333692
                3d
                   -2 :               0.00000556258480
                   -1 :               0.00000689235400
                   +0 :               0.00000678539783
                   +1 :               0.00000748040275
                   +2 :              -0.00000522043700
             11 vec=   -10.373550     11.736681     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00002587555062
                2s
                   +0 :               0.00018618509471
                3s
                   +0 :              -0.00004663043539
                2p
                   -1 :               0.00013227656476
                   +0 :               0.00012303480965
                   +1 :              -0.00019371524171
                3p
                   -1 :              -0.00005924291590
                   +0 :              -0.00014250918059
                   +1 :               0.00005844766361
                3d
                   -2 :               0.00000511804962
                   -1 :              -0.00000878567054
                   +0 :              -0.00000413348959
                   +1 :               0.00000718316137
                   +2 :              -0.00000341192241
             12 vec=     5.186775    -15.214593     -4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00001286973189
                2s
                   +0 :              -0.00014789041515
                3s
                   +0 :               0.00004655919964
                2p
                   -1 :              -0.00003103119036
                   +0 :              -0.00003944593703
                   +1 :              -0.00000485164544
                3p
                   -1 :               0.00010215864365
                   +0 :               0.00004929397552
                   +1 :              -0.00003813392135
                3d
                   -2 :               0.00001981832281
                   -1 :               0.00001213878118
                   +0 :               0.00000468311245
                   +1 :              -0.00000055474278
                   +2 :              -0.00000060346717
             13 vec=    -2.593388     16.228560     -4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00002200575532
                2s
                   +0 :               0.00013102021070
                3s
                   +0 :              -0.00004020091930
                2p
                   -1 :               0.00003160826526
                   +0 :               0.00005970260524
                   +1 :              -0.00003502141439
                3p
                   -1 :               0.00003467678073
                   +0 :              -0.00006017967190
                   +1 :               0.00001710013910
                3d
                   -2 :              -0.00000973927788
                   -1 :               0.00000108908227
                   +0 :               0.00000242691136
                   +1 :               0.00000144493200
                   +2 :              -0.00000581984646
             14 vec=    12.966938    -10.722714     -4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000053184718
                2s
                   +0 :              -0.00001961726746
                3s
                   +0 :              -0.00000137911613
                2p
                   -1 :              -0.00002492931447
                   +0 :               0.00001604323391
                   +1 :              -0.00004990441732
                3p
                   -1 :               0.00004830966701
                   +0 :              -0.00003767415236
                   +1 :               0.00001250463047
                3d
                   -2 :               0.00000093837156
                   -1 :              -0.00000206406097
                   +0 :               0.00000466009559
                   +1 :              -0.00000373260222
                   +2 :              -0.00000261070052
WF             site_B          number of pairs
WF( 24)=[O_7_2py]  to site O ( 30)  npairs=  14
              1 vec=     2.802674     -1.376461     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00219959434505
                2s
                   +0 :              -0.02664464837790
                3s
                   +0 :               0.00554555740704
                2p
                   -1 :               0.00578942304741
                   +0 :               0.01162424921337
                   +1 :              -0.01410823833420
                3p
                   -1 :              -0.00800129783884
                   +0 :              -0.00071516728467
                   +1 :               0.00448574028059
                3d
                   -2 :              -0.00044514289607
                   -1 :               0.00131676749793
                   +0 :              -0.00049035012879
                   +1 :               0.00113287008401
                   +2 :              -0.00077286175725
              2 vec=    -4.977489      3.115418     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00038752048706
                2s
                   +0 :               0.00177313016183
                3s
                   +0 :              -0.00133972896617
                2p
                   -1 :               0.00543991494432
                   +0 :               0.00080797794770
                   +1 :              -0.00082646008190
                3p
                   -1 :              -0.00528520057381
                   +0 :              -0.00107135684541
                   +1 :               0.00061196751118
                3d
                   -2 :               0.00016361428963
                   -1 :               0.00006895373346
                   +0 :               0.00013617170724
                   +1 :              -0.00012619248757
                   +2 :              -0.00005035500213
              3 vec=    -4.977489     -5.868340     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00017886753327
                2s
                   +0 :               0.00158295173360
                3s
                   +0 :              -0.00071015519650
                2p
                   -1 :               0.00086784945409
                   +0 :               0.00127260189278
                   +1 :              -0.00031239636692
                3p
                   -1 :              -0.00084591992996
                   +0 :              -0.00043360151334
                   +1 :               0.00048482858742
                3d
                   -2 :               0.00008164378406
                   -1 :              -0.00000503492545
                   +0 :              -0.00005531295466
                   +1 :              -0.00009349389687
                   +2 :              -0.00013230628375
              4 vec=     2.802674      7.607297     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00019296443317
                2s
                   +0 :               0.00096693462568
                3s
                   +0 :              -0.00036499830749
                2p
                   -1 :               0.00165975780731
                   +0 :              -0.00273545320413
                   +1 :              -0.00013245814971
                3p
                   -1 :              -0.00096207102513
                   +0 :               0.00183072447080
                   +1 :              -0.00012942049036
                3d
                   -2 :              -0.00003170137225
                   -1 :               0.00006185797169
                   +0 :               0.00001530113567
                   +1 :               0.00000849360972
                   +2 :               0.00005504112895
              5 vec=     2.802674    -10.360219     -4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00007834332924
                2s
                   +0 :              -0.00093889920827
                3s
                   +0 :               0.00031846916102
                2p
                   -1 :               0.00129216061100
                   +0 :               0.00000039863621
                   +1 :              -0.00022211335813
                3p
                   -1 :              -0.00089673138030
                   +0 :               0.00022596883522
                   +1 :              -0.00003574529464
                3d
                   -2 :               0.00004221969806
                   -1 :              -0.00006108736513
                   +0 :              -0.00004110114006
                   +1 :               0.00010933731925
                   +2 :              -0.00006346242877
              6 vec=    10.582837      3.115418     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00000573981966
                2s
                   +0 :               0.00011322575498
                3s
                   +0 :              -0.00005794555714
                2p
                   -1 :               0.00013399768235
                   +0 :              -0.00082812112269
                   +1 :              -0.00021561140761
                3p
                   -1 :              -0.00029670171724
                   +0 :               0.00067245639362
                   +1 :               0.00012680862309
                3d
                   -2 :              -0.00001249602369
                   -1 :               0.00003383922540
                   +0 :               0.00009747797884
                   +1 :               0.00004106068934
                   +2 :               0.00000983995725
              7 vec=    10.582837     -5.868340     -4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00001574524865
                2s
                   +0 :              -0.00039295365354
                3s
                   +0 :               0.00001934695385
                2p
                   -1 :               0.00046727640680
                   +0 :               0.00042726506806
                   +1 :               0.00010830472027
                3p
                   -1 :              -0.00024618175536
                   +0 :              -0.00027045278787
                   +1 :              -0.00010187162274
                3d
                   -2 :               0.00002339989814
                   -1 :              -0.00001804358167
                   +0 :               0.00000015044001
                   +1 :              -0.00001742699758
                   +2 :              -0.00002051634389
              8 vec=   -12.757651     -1.376461     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00005227780994
                2s
                   +0 :              -0.00041743939087
                3s
                   +0 :               0.00010881018699
                2p
                   -1 :              -0.00033041390348
                   +0 :               0.00009782461707
                   +1 :               0.00017026602407
                3p
                   -1 :               0.00029038657426
                   +0 :              -0.00006601000309
                   +1 :              -0.00000036666181
                3d
                   -2 :              -0.00003238412243
                   -1 :               0.00002359414758
                   +0 :              -0.00002355768662
                   +1 :               0.00001291603924
                   +2 :              -0.00002171310618
              9 vec=    -4.977489     12.099176     -4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00000150780111
                2s
                   +0 :               0.00041133969008
                3s
                   +0 :               0.00009733468296
                2p
                   -1 :              -0.00026922615901
                   +0 :              -0.00025043874683
                   +1 :               0.00006651978925
                3p
                   -1 :               0.00040578420664
                   +0 :              -0.00009277990589
                   +1 :              -0.00004109479407
                3d
                   -2 :              -0.00000788208831
                   -1 :              -0.00001529524864
                   +0 :               0.00002153856113
                   +1 :              -0.00001928164011
                   +2 :              -0.00001074860018
             10 vec=   -12.757651      7.607297     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00002052432065
                2s
                   +0 :               0.00013939525933
                3s
                   +0 :              -0.00002653427025
                2p
                   -1 :               0.00009480009378
                   +0 :              -0.00006637839894
                   +1 :              -0.00015193319624
                3p
                   -1 :              -0.00008380099511
                   +0 :               0.00005431855773
                   +1 :               0.00005448538972
                3d
                   -2 :               0.00000694161792
                   -1 :              -0.00000454803897
                   +0 :               0.00000883122500
                   +1 :              -0.00000600242755
                   +2 :               0.00000416398650
             11 vec=    -4.977489    -14.852098     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00000052649359
                2s
                   +0 :              -0.00008973355486
                3s
                   +0 :               0.00000610899121
                2p
                   -1 :               0.00011498326913
                   +0 :               0.00009763940970
                   +1 :               0.00005394317791
                3p
                   -1 :              -0.00000217398163
                   +0 :              -0.00004578795020
                   +1 :              -0.00001189893328
                3d
                   -2 :              -0.00000310354800
                   -1 :               0.00001031121104
                   +0 :               0.00001576031534
                   +1 :               0.00000813085044
                   +2 :              -0.00000218474869
             12 vec=    10.582837     12.099176     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00003293946461
                2s
                   +0 :               0.00022297001177
                3s
                   +0 :              -0.00007047619872
                2p
                   -1 :               0.00005209679621
                   +0 :               0.00011320885888
                   +1 :               0.00012499114040
                3p
                   -1 :               0.00002096674660
                   +0 :              -0.00015895114022
                   +1 :              -0.00002433055570
                3d
                   -2 :              -0.00000097136238
                   -1 :              -0.00000099474163
                   +0 :              -0.00000235491290
                   +1 :              -0.00001238180538
                   +2 :               0.00000378148329
             13 vec=   -12.757651    -10.360219     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00001767348536
                2s
                   +0 :              -0.00012156678106
                3s
                   +0 :               0.00004864952869
                2p
                   -1 :               0.00007066156416
                   +0 :               0.00005222951225
                   +1 :               0.00004582106964
                3p
                   -1 :              -0.00004892892899
                   +0 :              -0.00002658053819
                   +1 :              -0.00001260986290
                3d
                   -2 :              -0.00000592514052
                   -1 :               0.00000242865294
                   +0 :              -0.00000684062761
                   +1 :              -0.00000128935945
                   +2 :              -0.00000064976609
             14 vec=     2.802674     16.591055     -4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00001705057759
                2s
                   +0 :               0.00013086889304
                3s
                   +0 :              -0.00003387646508
                2p
                   -1 :              -0.00005869690602
                   +0 :              -0.00000153642441
                   +1 :               0.00009889166110
                3p
                   -1 :               0.00011961491978
                   +0 :              -0.00003512879543
                   +1 :              -0.00006299684527
                3d
                   -2 :               0.00000616032233
                   -1 :              -0.00000096333973
                   +0 :               0.00000463523353
                   +1 :               0.00000246367612
                   +2 :              -0.00000679964405
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al(  1)  npairs=  14
              1 vec=     0.209286     -3.115418     -5.671791   |vec|=    6.474477
                2s
                   +0 :               0.00464802671984
                2p
                   -1 :              -0.00224786137979
                   +0 :              -0.00285754537603
                   +1 :               0.00038416099479
                3s
                   +0 :              -0.01165996182868
                4s
                   +0 :               0.00742208871181
                3p
                   -1 :               0.00770505622795
                   +0 :               0.01200241145742
                   +1 :              -0.00057173557840
                4p
                   -1 :              -0.00389558345795
                   +0 :              -0.00562781848763
                   +1 :               0.00014530645957
                3d
                   -2 :              -0.00055761858950
                   -1 :              -0.00094458416418
                   +0 :              -0.00200638718034
                   +1 :              -0.00002282355064
                   +2 :              -0.00138166798732
              2 vec=     0.209286      5.868340     -5.671791   |vec|=    8.163972
                2s
                   +0 :              -0.00137740551476
                2p
                   -1 :              -0.00125555145289
                   +0 :               0.00047809330918
                   +1 :              -0.00019096378613
                3s
                   +0 :              -0.00967984728777
                4s
                   +0 :              -0.00153397155213
                3p
                   -1 :              -0.00665262997938
                   +0 :               0.00030488683304
                   +1 :               0.00452207339292
                4p
                   -1 :              -0.00153290196779
                   +0 :               0.00038845502246
                   +1 :              -0.00110098788440
                3d
                   -2 :               0.00148110013905
                   -1 :               0.00054566766039
                   +0 :               0.00206648023162
                   +1 :              -0.00042119599106
                   +2 :               0.00324452740165
              3 vec=    -7.570876      1.376461     -5.671791   |vec|=    9.559395
                2s
                   +0 :              -0.00048080871016
                2p
                   -1 :               0.00098815099730
                   +0 :               0.00010833774981
                   +1 :              -0.00037936496390
                3s
                   +0 :               0.00074245648526
                4s
                   +0 :              -0.00016491442617
                3p
                   -1 :              -0.00457915062166
                   +0 :              -0.00067069516177
                   +1 :               0.00143645344990
                4p
                   -1 :               0.00098223712956
                   +0 :               0.00026305465512
                   +1 :              -0.00034969173530
                3d
                   -2 :               0.00032883805148
                   -1 :               0.00070144737464
                   +0 :              -0.00020415563104
                   +1 :              -0.00060469614733
                   +2 :              -0.00095721612362
              4 vec=     7.989449      1.376461     -5.671791   |vec|=    9.894198
                2s
                   +0 :               0.00003310444266
                2p
                   -1 :              -0.00001485057935
                   +0 :              -0.00037318220435
                   +1 :              -0.00032457402284
                3s
                   +0 :              -0.00005816667243
                4s
                   +0 :              -0.00016005548079
                3p
                   -1 :              -0.00004684671666
                   +0 :               0.00226290188317
                   +1 :               0.00157330023171
                4p
                   -1 :              -0.00016390984604
                   +0 :              -0.00062972628277
                   +1 :              -0.00071169684713
                3d
                   -2 :              -0.00041503108948
                   -1 :               0.00005237265649
                   +0 :              -0.00022407542910
                   +1 :               0.00039364072896
                   +2 :               0.00010978732317
              5 vec=    -7.570876     -7.607297     -5.671791   |vec|=   12.139125
                2s
                   +0 :              -0.00036751439457
                2p
                   -1 :               0.00004894130010
                   +0 :               0.00016121066097
                   +1 :               0.00025819294087
                3s
                   +0 :               0.00063355167020
                4s
                   +0 :              -0.00038799957001
                3p
                   -1 :              -0.00048700628431
                   +0 :              -0.00002567260740
                   +1 :              -0.00091679522180
                4p
                   -1 :               0.00008625809303
                   +0 :               0.00012187355116
                   +1 :               0.00031892539207
                3d
                   -2 :               0.00013454869718
                   -1 :               0.00002078077848
                   +0 :              -0.00023658682188
                   +1 :              -0.00004818853494
                   +2 :              -0.00003310521681
              6 vec=     7.989449     -7.607297     -5.671791   |vec|=   12.404494
                2s
                   +0 :              -0.00046899028771
                2p
                   -1 :               0.00013857466950
                   +0 :               0.00018882366264
                   +1 :              -0.00025503929817
                3s
                   +0 :               0.00124923426724
                4s
                   +0 :              -0.00024030068484
                3p
                   -1 :              -0.00073944668479
                   +0 :              -0.00069430408339
                   +1 :               0.00111413937206
                4p
                   -1 :              -0.00000287956015
                   +0 :               0.00013483793285
                   +1 :              -0.00019578214921
                3d
                   -2 :              -0.00038265478092
                   -1 :               0.00028643728098
                   +0 :              -0.00009647274747
                   +1 :              -0.00034102887921
                   +2 :               0.00009206169129
              7 vec=     0.209286    -12.099176     -5.671791   |vec|=   13.364246
                2s
                   +0 :               0.00016635530141
                2p
                   -1 :              -0.00010475827381
                   +0 :              -0.00003605677458
                   +1 :              -0.00009059878471
                3s
                   +0 :              -0.00087371594576
                4s
                   +0 :               0.00019180474607
                3p
                   -1 :               0.00067389833099
                   +0 :               0.00005567195545
                   +1 :               0.00044241099171
                4p
                   -1 :              -0.00015200608720
                   +0 :               0.00004726936731
                   +1 :              -0.00009559374590
                3d
                   -2 :              -0.00019614847721
                   -1 :              -0.00004505016845
                   +0 :               0.00001860326948
                   +1 :              -0.00004408151492
                   +2 :               0.00005765890913
              8 vec=    -7.570876     10.360219     -5.671791   |vec|=   14.029310
                2s
                   +0 :              -0.00041008467375
                2p
                   -1 :              -0.00030961944297
                   +0 :               0.00004852393371
                   +1 :              -0.00003530293386
                3s
                   +0 :               0.00101297761045
                4s
                   +0 :              -0.00021961060737
                3p
                   -1 :               0.00118842577911
                   +0 :              -0.00020229628027
                   +1 :               0.00035558757960
                4p
                   -1 :              -0.00016183943229
                   +0 :               0.00005111250044
                   +1 :              -0.00013774319587
                3d
                   -2 :              -0.00003846963340
                   -1 :              -0.00017254003193
                   +0 :              -0.00008543397859
                   +1 :              -0.00000064917451
                   +2 :              -0.00025440033261
              9 vec=     7.989449     10.360219     -5.671791   |vec|=   14.259546
                2s
                   +0 :              -0.00000827825878
                2p
                   -1 :               0.00000500217336
                   +0 :               0.00001303727252
                   +1 :               0.00006647711546
                3s
                   +0 :               0.00003977869366
                4s
                   +0 :              -0.00010506336009
                3p
                   -1 :               0.00007047579517
                   +0 :              -0.00020354445324
                   +1 :              -0.00036129939664
                4p
                   -1 :              -0.00004906047343
                   +0 :               0.00006388030832
                   +1 :               0.00002242914545
                3d
                   -2 :              -0.00013618863858
                   -1 :              -0.00001178648254
                   +0 :              -0.00001865432607
                   +1 :               0.00004674597490
                   +2 :               0.00000930233650
             10 vec=     0.209286     14.852098     -5.671791   |vec|=   15.899618
                2s
                   +0 :              -0.00007424389546
                2p
                   -1 :              -0.00001343859973
                   +0 :              -0.00000276948216
                   +1 :              -0.00000948582045
                3s
                   +0 :               0.00017264576440
                4s
                   +0 :              -0.00004329282987
                3p
                   -1 :               0.00003683879661
                   +0 :               0.00001671821298
                   +1 :              -0.00001840525798
                4p
                   -1 :               0.00000191147422
                   +0 :              -0.00002029340102
                   +1 :               0.00001179540513
                3d
                   -2 :              -0.00001425659510
                   -1 :              -0.00002843047419
                   +0 :               0.00002124748120
                   +1 :               0.00001518561620
                   +2 :              -0.00001256914205
             11 vec=   -15.351039     -3.115418     -5.671791   |vec|=   16.659215
                2s
                   +0 :               0.00004452364252
                2p
                   -1 :              -0.00002334730563
                   +0 :              -0.00000335571205
                   +1 :               0.00001551943002
                3s
                   +0 :              -0.00025269188459
                4s
                   +0 :               0.00003611316662
                3p
                   -1 :               0.00021213361841
                   +0 :               0.00010700908223
                   +1 :              -0.00003954492678
                4p
                   -1 :              -0.00004491028477
                   +0 :              -0.00001528892760
                   +1 :               0.00003089463738
                3d
                   -2 :              -0.00002053770539
                   -1 :              -0.00006835463805
                   +0 :              -0.00001712097013
                   +1 :              -0.00000423214113
                   +2 :               0.00004097982712
             12 vec=    15.769612     -3.115418     -5.671791   |vec|=   17.045694
                2s
                   +0 :              -0.00003490428537
                2p
                   -1 :               0.00002151931009
                   +0 :               0.00000472905448
                   +1 :              -0.00004343938959
                3s
                   +0 :               0.00000919810008
                4s
                   +0 :              -0.00006138221244
                3p
                   -1 :              -0.00002522354311
                   +0 :               0.00008237945180
                   +1 :               0.00016833323615
                4p
                   -1 :               0.00001547380407
                   +0 :              -0.00001067951468
                   +1 :              -0.00006776376255
                3d
                   -2 :              -0.00001002638235
                   -1 :              -0.00000690024956
                   +0 :              -0.00003233365503
                   +1 :              -0.00000766224350
                   +2 :               0.00004813945972
             13 vec=   -15.351039      5.868340     -5.671791   |vec|=   17.385656
                2s
                   +0 :              -0.00001298481492
                2p
                   -1 :               0.00002522370045
                   +0 :               0.00000075611149
                   +1 :              -0.00002010081408
                3s
                   +0 :              -0.00004731988946
                4s
                   +0 :               0.00005701246625
                3p
                   -1 :              -0.00016876324864
                   +0 :               0.00005897112350
                   +1 :               0.00015949159249
                4p
                   -1 :               0.00005400616469
                   +0 :              -0.00003480694927
                   +1 :              -0.00007429536594
                3d
                   -2 :               0.00004930960192
                   -1 :               0.00001350349055
                   +0 :              -0.00003084879945
                   +1 :              -0.00001151856482
                   +2 :               0.00000843221724
             14 vec=    15.769612      5.868340     -5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00001817703358
                2p
                   -1 :              -0.00001834588514
                   +0 :              -0.00000120485278
                   +1 :              -0.00001650183870
                3s
                   +0 :               0.00006481159593
                4s
                   +0 :              -0.00003319222810
                3p
                   -1 :               0.00010523987713
                   +0 :              -0.00000940557470
                   +1 :               0.00007374158622
                4p
                   -1 :              -0.00003934593630
                   +0 :               0.00001272247065
                   +1 :              -0.00001857340567
                3d
                   -2 :               0.00001647266580
                   -1 :              -0.00000636512565
                   +0 :              -0.00000436379088
                   +1 :              -0.00002184220444
                   +2 :               0.00001095306548
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al(  2)  npairs=  14
              1 vec=     0.209286     -3.115418      1.580534   |vec|=    3.499674
                2s
                   +0 :               0.02250618006628
                2p
                   -1 :              -0.02222441419144
                   +0 :               0.00425639861876
                   +1 :               0.00036914927418
                3s
                   +0 :               0.03262070739985
                4s
                   +0 :               0.00941185576031
                3p
                   -1 :              -0.05791062925940
                   +0 :              -0.01431824388850
                   +1 :               0.00727283810606
                4p
                   -1 :              -0.00951119283483
                   +0 :               0.00308581204500
                   +1 :              -0.00176724763805
                3d
                   -2 :              -0.00374709018126
                   -1 :              -0.00141850228539
                   +0 :              -0.03075735245263
                   +1 :              -0.00081133629341
                   +2 :              -0.03732400936980
              2 vec=     0.209286      5.868340      1.580534   |vec|=    6.081062
                2s
                   +0 :              -0.00175755964086
                2p
                   -1 :              -0.00145562984910
                   +0 :               0.00035917177119
                   +1 :              -0.00008157337949
                3s
                   +0 :               0.00370973113206
                4s
                   +0 :              -0.00358351896206
                3p
                   -1 :               0.00580579865694
                   +0 :               0.00140518674180
                   +1 :              -0.00256891197002
                4p
                   -1 :              -0.00205074312822
                   +0 :               0.00050353692542
                   +1 :               0.00050633065749
                3d
                   -2 :              -0.00090708375775
                   -1 :               0.00167978007229
                   +0 :               0.00015116772973
                   +1 :               0.00007359343645
                   +2 :              -0.00254498496836
              3 vec=    -7.570876      1.376461      1.580534   |vec|=    7.855629
                2s
                   +0 :               0.00017528955520
                2p
                   -1 :               0.00076749059066
                   +0 :              -0.00021390172814
                   +1 :               0.00008721902137
                3s
                   +0 :              -0.00578276777175
                4s
                   +0 :               0.00090777954051
                3p
                   -1 :              -0.00631800589484
                   +0 :               0.00146069385832
                   +1 :               0.00519674584565
                4p
                   -1 :               0.00112747953433
                   +0 :              -0.00105478487861
                   +1 :              -0.00029970669576
                3d
                   -2 :               0.00214519225400
                   -1 :              -0.00064030208199
                   +0 :               0.00116209494667
                   +1 :               0.00049295930018
                   +2 :              -0.00018760122416
              4 vec=     7.989449      1.376461      1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00050118445298
                2p
                   -1 :               0.00039986158102
                   +0 :               0.00021055228818
                   +1 :              -0.00090130292707
                3s
                   +0 :               0.00214320759365
                4s
                   +0 :              -0.00081783557616
                3p
                   -1 :              -0.00237716956752
                   +0 :              -0.00092763194452
                   +1 :               0.00380229474053
                4p
                   -1 :               0.00075884006347
                   +0 :               0.00023523459248
                   +1 :              -0.00121608286501
                3d
                   -2 :              -0.00040001017951
                   -1 :              -0.00076427338244
                   +0 :               0.00003196424916
                   +1 :               0.00018689325439
                   +2 :               0.00073053671546
              5 vec=    -7.570876     -7.607297      1.580534   |vec|=   10.848374
                2s
                   +0 :               0.00011471813984
                2p
                   -1 :              -0.00003279866949
                   +0 :               0.00009292195382
                   +1 :               0.00003386552467
                3s
                   +0 :               0.00052546697718
                4s
                   +0 :              -0.00008550935894
                3p
                   -1 :              -0.00026527407545
                   +0 :              -0.00127832921882
                   +1 :              -0.00107123034590
                4p
                   -1 :               0.00014713637615
                   +0 :               0.00016759749298
                   +1 :               0.00029850266020
                3d
                   -2 :               0.00009023930935
                   -1 :               0.00028624353442
                   +0 :               0.00017974508332
                   +1 :               0.00015324520123
                   +2 :               0.00012692070747
              6 vec=     7.989449     -7.607297      1.580534   |vec|=   11.144521
                2s
                   +0 :               0.00000008738650
                2p
                   -1 :              -0.00002404525869
                   +0 :              -0.00000004998589
                   +1 :              -0.00004849360907
                3s
                   +0 :               0.00113039719513
                4s
                   +0 :              -0.00035122896264
                3p
                   -1 :              -0.00030197400385
                   +0 :              -0.00060364828002
                   +1 :               0.00083000694933
                4p
                   -1 :               0.00013931977828
                   +0 :               0.00007976620133
                   +1 :              -0.00022113276464
                3d
                   -2 :               0.00001220669989
                   -1 :               0.00001016016094
                   +0 :               0.00026327239441
                   +1 :              -0.00027649858580
                   +2 :               0.00026616034767
              7 vec=     0.209286    -12.099176      1.580534   |vec|=   12.203767
                2s
                   +0 :              -0.00016150247550
                2p
                   -1 :               0.00008274523814
                   +0 :              -0.00022720153306
                   +1 :              -0.00008757475449
                3s
                   +0 :               0.00038958381684
                4s
                   +0 :               0.00004554962663
                3p
                   -1 :              -0.00035769901574
                   +0 :               0.00105935880827
                   +1 :               0.00045692079727
                4p
                   -1 :              -0.00001888541748
                   +0 :              -0.00025379160432
                   +1 :              -0.00006448691181
                3d
                   -2 :              -0.00009101105796
                   -1 :              -0.00011376864323
                   +0 :               0.00006586592583
                   +1 :               0.00006293778548
                   +2 :              -0.00006426750130
              8 vec=    -7.570876     10.360219      1.580534   |vec|=   12.928666
                2s
                   +0 :              -0.00005667276924
                2p
                   -1 :              -0.00006102952703
                   +0 :               0.00021312404627
                   +1 :              -0.00019109665945
                3s
                   +0 :               0.00043201191066
                4s
                   +0 :              -0.00026723104964
                3p
                   -1 :               0.00038424242606
                   +0 :              -0.00092836984503
                   +1 :               0.00086498819962
                4p
                   -1 :              -0.00016864558200
                   +0 :               0.00022547404859
                   +1 :              -0.00017809377281
                3d
                   -2 :               0.00029436573635
                   -1 :              -0.00018826261690
                   +0 :               0.00010335993776
                   +1 :               0.00008908990734
                   +2 :              -0.00008632983200
              9 vec=     7.989449     10.360219      1.580534   |vec|=   13.178146
                2s
                   +0 :               0.00022284147234
                2p
                   -1 :               0.00005169861205
                   +0 :               0.00001087562419
                   +1 :               0.00014963784865
                3s
                   +0 :              -0.00054062171356
                4s
                   +0 :               0.00025302850587
                3p
                   -1 :              -0.00020967030105
                   +0 :               0.00025998725167
                   +1 :              -0.00060076096784
                4p
                   -1 :               0.00002833703600
                   +0 :              -0.00004659463705
                   +1 :               0.00017453815678
                3d
                   -2 :              -0.00006324220024
                   -1 :              -0.00004082012116
                   +0 :               0.00009078816549
                   +1 :               0.00000066334727
                   +2 :              -0.00005144507524
             10 vec=     0.209286     14.852098      1.580534   |vec|=   14.937427
                2s
                   +0 :               0.00004653623013
                2p
                   -1 :               0.00000256399788
                   +0 :               0.00001966409542
                   +1 :               0.00001214119512
                3s
                   +0 :              -0.00019263170206
                4s
                   +0 :               0.00008064457169
                3p
                   -1 :              -0.00012449144582
                   +0 :               0.00001494449792
                   +1 :              -0.00011159529269
                4p
                   -1 :               0.00005143239441
                   +0 :              -0.00001059410104
                   +1 :               0.00004904807440
                3d
                   -2 :              -0.00005222351282
                   -1 :               0.00005625333921
                   +0 :               0.00005711665541
                   +1 :              -0.00000156801937
                   +2 :               0.00000585018217
             11 vec=   -15.351039     -3.115418      1.580534   |vec|=   15.743516
                2s
                   +0 :              -0.00000870447207
                2p
                   -1 :              -0.00003557351790
                   +0 :              -0.00000943247973
                   +1 :               0.00000230427094
                3s
                   +0 :               0.00004459433677
                4s
                   +0 :              -0.00003003495738
                3p
                   -1 :               0.00019218657204
                   +0 :              -0.00006373730631
                   +1 :              -0.00002005744003
                4p
                   -1 :              -0.00007187607027
                   +0 :               0.00004865533166
                   +1 :               0.00002050336498
                3d
                   -2 :              -0.00001709767025
                   -1 :              -0.00001002781465
                   +0 :               0.00000066932967
                   +1 :               0.00001280975299
                   +2 :              -0.00005514971127
             12 vec=    15.769612     -3.115418      1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00001014750121
                2p
                   -1 :               0.00000620193505
                   +0 :               0.00001190952662
                   +1 :               0.00000440093931
                3s
                   +0 :               0.00008105258035
                4s
                   +0 :              -0.00002276437572
                3p
                   -1 :              -0.00007852434474
                   +0 :              -0.00008903668927
                   +1 :              -0.00000040044125
                4p
                   -1 :               0.00001716077504
                   +0 :               0.00000333991147
                   +1 :              -0.00000138321645
                3d
                   -2 :              -0.00001965484694
                   -1 :               0.00000465854322
                   +0 :               0.00003355136945
                   +1 :              -0.00001693276879
                   +2 :               0.00000691239660
             13 vec=   -15.351039      5.868340      1.580534   |vec|=   16.510297
                2s
                   +0 :               0.00002030722213
                2p
                   -1 :               0.00001912936738
                   +0 :               0.00000317127381
                   +1 :              -0.00001617285485
                3s
                   +0 :              -0.00018379659243
                4s
                   +0 :               0.00011790257297
                3p
                   -1 :              -0.00010365226224
                   +0 :              -0.00001029261704
                   +1 :               0.00019949077931
                4p
                   -1 :               0.00002096669797
                   +0 :               0.00000008384588
                   +1 :              -0.00009390612431
                3d
                   -2 :               0.00003220829208
                   -1 :               0.00001236304527
                   +0 :              -0.00002002848109
                   +1 :               0.00001008725413
                   +2 :              -0.00001784496201
             14 vec=    15.769612      5.868340      1.580534   |vec|=   16.900182
                2s
                   +0 :              -0.00002446551954
                2p
                   -1 :              -0.00000424808785
                   +0 :               0.00001357091187
                   +1 :               0.00002608542463
                3s
                   +0 :               0.00013501914197
                4s
                   +0 :              -0.00005408064653
                3p
                   -1 :               0.00004846946283
                   +0 :              -0.00005470384300
                   +1 :              -0.00010721625739
                4p
                   -1 :              -0.00002339609205
                   +0 :               0.00000758378700
                   +1 :               0.00001911769738
                3d
                   -2 :              -0.00002523779589
                   -1 :               0.00002233799470
                   +0 :               0.00001960720101
                   +1 :              -0.00001585616044
                   +2 :              -0.00002936408102
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Cr(  3)  npairs=  15
              1 vec=     0.209286     -3.115418    -10.693237   |vec|=   11.139791
                3s
                   +0 :               0.00124044416587
                3p
                   -1 :              -0.00028378322297
                   +0 :              -0.00066653497323
                   +1 :               0.00031426687833
                4s
                   +0 :              -0.00106485965250
                5s
                   +0 :              -0.00000241075450
                3d
                   -2 :               0.00055732708637
                   -1 :              -0.00007396820551
                   +0 :              -0.00065980397901
                   +1 :              -0.00042265694435
                   +2 :              -0.00053047146827
                4d
                   -2 :              -0.00008352949847
                   -1 :              -0.00037647227273
                   +0 :               0.00035895907201
                   +1 :               0.00003907913892
                   +2 :               0.00035322971392
                4p
                   -1 :               0.00096296047563
                   +0 :               0.00033585076802
                   +1 :              -0.00030341453558
              2 vec=     0.209286      5.868340    -10.693237   |vec|=   12.199448
                3s
                   +0 :               0.00016017062866
                3p
                   -1 :               0.00012247881386
                   +0 :              -0.00014055471468
                   +1 :               0.00003057025100
                4s
                   +0 :               0.00024266795380
                5s
                   +0 :              -0.00007195884927
                3d
                   -2 :              -0.00037806217135
                   -1 :              -0.00012657686154
                   +0 :              -0.00085508057431
                   +1 :               0.00032544397984
                   +2 :               0.00088425358436
                4d
                   -2 :              -0.00018983316857
                   -1 :               0.00005877791908
                   +0 :              -0.00002663673249
                   +1 :               0.00014509595537
                   +2 :               0.00016813857839
                4p
                   -1 :              -0.00008131818714
                   +0 :               0.00030201023342
                   +1 :              -0.00039380324991
              3 vec=    -7.570876      1.376461    -10.693237   |vec|=   13.174146
                3s
                   +0 :              -0.00010915959052
                3p
                   -1 :               0.00015872285212
                   +0 :              -0.00011236748981
                   +1 :              -0.00024293523836
                4s
                   +0 :               0.00110666247748
                5s
                   +0 :              -0.00004651609941
                3d
                   -2 :              -0.00054711009812
                   -1 :              -0.00039093822269
                   +0 :               0.00018163567304
                   +1 :               0.00100903495120
                   +2 :               0.00044690896681
                4d
                   -2 :              -0.00002436955592
                   -1 :               0.00014564274063
                   +0 :               0.00007066858778
                   +1 :               0.00011369280542
                   +2 :              -0.00004701530323
                4p
                   -1 :              -0.00009241432298
                   +0 :              -0.00047154372515
                   +1 :              -0.00015810288160
              4 vec=     7.989449      1.376461    -10.693237   |vec|=   13.419063
                3s
                   +0 :               0.00007225950297
                3p
                   -1 :               0.00003421658929
                   +0 :              -0.00015893101900
                   +1 :               0.00025295402762
                4s
                   +0 :               0.00094170397457
                5s
                   +0 :              -0.00005765421345
                3d
                   -2 :               0.00036445659140
                   -1 :              -0.00032627221305
                   +0 :               0.00013444171637
                   +1 :              -0.00048371709661
                   +2 :               0.00022673091578
                4d
                   -2 :               0.00018439180776
                   -1 :              -0.00017719487273
                   +0 :               0.00013505182183
                   +1 :              -0.00018770023204
                   +2 :               0.00012279585160
                4p
                   -1 :               0.00033916565810
                   +0 :              -0.00039209760096
                   +1 :               0.00019432952118
              5 vec=     0.209286     -3.115418     13.854306   |vec|=   14.201810
                3s
                   +0 :              -0.00004929438212
                3p
                   -1 :               0.00009798717910
                   +0 :               0.00002363938626
                   +1 :               0.00010978815089
                4s
                   +0 :               0.00005892344129
                5s
                   +0 :               0.00001686293243
                3d
                   -2 :               0.00000799180508
                   -1 :               0.00017916993557
                   +0 :               0.00010892020929
                   +1 :               0.00005824247218
                   +2 :              -0.00001526247566
                4d
                   -2 :               0.00010896940737
                   -1 :              -0.00007149510123
                   +0 :              -0.00000989347189
                   +1 :              -0.00014337309727
                   +2 :              -0.00002288046586
                4p
                   -1 :              -0.00021568941631
                   +0 :               0.00001712171098
                   +1 :              -0.00019159338782
              6 vec=     0.209286      5.868340     13.854306   |vec|=   15.047359
                3s
                   +0 :               0.00016993155932
                3p
                   -1 :               0.00022123960734
                   +0 :               0.00003543623799
                   +1 :               0.00005593330203
                4s
                   +0 :              -0.00021642781248
                5s
                   +0 :              -0.00001990620237
                3d
                   -2 :              -0.00017740800991
                   -1 :              -0.00011158864105
                   +0 :               0.00011439371225
                   +1 :               0.00005948039284
                   +2 :               0.00011312952177
                4d
                   -2 :               0.00006434065960
                   -1 :              -0.00003440554120
                   +0 :               0.00004978537519
                   +1 :              -0.00005882460710
                   +2 :               0.00013423173121
                4p
                   -1 :              -0.00031839237597
                   +0 :               0.00000576846264
                   +1 :              -0.00008485312223
              7 vec=    -7.570876     -7.607297    -10.693237   |vec|=   15.150394
                3s
                   +0 :              -0.00004281883847
                3p
                   -1 :              -0.00003338772579
                   +0 :               0.00001014129780
                   +1 :               0.00004398219824
                4s
                   +0 :               0.00007974011147
                5s
                   +0 :               0.00000567944484
                3d
                   -2 :              -0.00007172571960
                   -1 :               0.00002554666597
                   +0 :               0.00012718850145
                   +1 :              -0.00016582798812
                   +2 :               0.00000625590295
                4d
                   -2 :              -0.00002537050679
                   -1 :              -0.00001555959716
                   +0 :               0.00002268547724
                   +1 :              -0.00000335502998
                   +2 :              -0.00002035311549
                4p
                   -1 :               0.00007473777815
                   +0 :               0.00002159676159
                   +1 :              -0.00003426739872
              8 vec=     7.989449     -7.607297    -10.693237   |vec|=   15.363840
                3s
                   +0 :              -0.00019120270124
                3p
                   -1 :               0.00005175491203
                   +0 :               0.00001926281222
                   +1 :              -0.00003435671756
                4s
                   +0 :               0.00034740501926
                5s
                   +0 :               0.00001235158554
                3d
                   -2 :              -0.00000506162338
                   -1 :               0.00005274331788
                   +0 :               0.00006313673429
                   +1 :               0.00009814323672
                   +2 :              -0.00004566851094
                4d
                   -2 :               0.00002368080494
                   -1 :               0.00001373994803
                   +0 :              -0.00000439265855
                   +1 :               0.00001242302924
                   +2 :              -0.00003358842724
                4p
                   -1 :              -0.00010358378346
                   +0 :              -0.00001384486028
                   +1 :               0.00004978639552
              9 vec=    -7.570876      1.376461     13.854306   |vec|=   15.847858
                3s
                   +0 :               0.00004088151836
                3p
                   -1 :               0.00005606318080
                   +0 :              -0.00003175814241
                   +1 :               0.00002911650809
                4s
                   +0 :              -0.00020246825878
                5s
                   +0 :               0.00002255207115
                3d
                   -2 :              -0.00012887935634
                   -1 :               0.00006169577517
                   +0 :               0.00002433307087
                   +1 :               0.00011782190842
                   +2 :              -0.00024962470709
                4d
                   -2 :              -0.00004029794362
                   -1 :              -0.00001658593893
                   +0 :              -0.00001289880669
                   +1 :               0.00003922204641
                   +2 :               0.00003244923512
                4p
                   -1 :              -0.00003114060506
                   +0 :               0.00002651666965
                   +1 :               0.00007630144205
             10 vec=     7.989449      1.376461     13.854306   |vec|=   16.052032
                3s
                   +0 :              -0.00016426573159
                3p
                   -1 :               0.00005983716822
                   +0 :              -0.00008437265129
                   +1 :              -0.00007783189669
                4s
                   +0 :               0.00008795885437
                5s
                   +0 :              -0.00000174111101
                3d
                   -2 :               0.00045669940764
                   -1 :               0.00016251454085
                   +0 :               0.00017503799599
                   +1 :              -0.00028674740765
                   +2 :              -0.00006500605930
                4d
                   -2 :              -0.00002385749130
                   -1 :              -0.00005139412579
                   +0 :              -0.00001431110634
                   +1 :               0.00006567993999
                   +2 :              -0.00008713546107
                4p
                   -1 :               0.00001257888190
                   +0 :               0.00009566549587
                   +1 :              -0.00005078305550
             11 vec=     0.209286    -12.099176    -10.693237   |vec|=   16.148658
                3s
                   +0 :               0.00020870902745
                3p
                   -1 :              -0.00007819356105
                   +0 :              -0.00009934236069
                   +1 :               0.00003220328983
                4s
                   +0 :              -0.00038087502841
                5s
                   +0 :               0.00005601781906
                3d
                   -2 :              -0.00001707458285
                   -1 :               0.00034029349250
                   +0 :               0.00013677525280
                   +1 :               0.00003024855108
                   +2 :              -0.00014415591153
                4d
                   -2 :               0.00002837043949
                   -1 :              -0.00012597842903
                   +0 :              -0.00002810905458
                   +1 :              -0.00000367223415
                   +2 :               0.00006061815773
                4p
                   -1 :               0.00014499826216
                   +0 :               0.00015409243082
                   +1 :              -0.00005487111386
             12 vec=    -7.570876     10.360219    -10.693237   |vec|=   16.703222
                3s
                   +0 :               0.00007928447169
                3p
                   -1 :               0.00003849394281
                   +0 :              -0.00005393699488
                   +1 :               0.00002602741392
                4s
                   +0 :              -0.00025056834033
                5s
                   +0 :               0.00003488548267
                3d
                   -2 :               0.00004891344065
                   -1 :               0.00002450624034
                   +0 :               0.00008216206633
                   +1 :               0.00003656647685
                   +2 :              -0.00002229046312
                4d
                   -2 :               0.00003394620230
                   -1 :               0.00009685531924
                   +0 :              -0.00003904516053
                   +1 :              -0.00006340778051
                   +2 :               0.00005276190518
                4p
                   -1 :              -0.00012464923172
                   +0 :               0.00016183932459
                   +1 :               0.00001105337567
             13 vec=     7.989449     10.360219    -10.693237   |vec|=   16.897064
                3s
                   +0 :              -0.00003071712940
                3p
                   -1 :              -0.00000176117411
                   +0 :               0.00002349831155
                   +1 :              -0.00002368092074
                4s
                   +0 :               0.00006292522158
                5s
                   +0 :               0.00000267081239
                3d
                   -2 :               0.00006144487009
                   -1 :               0.00005221545636
                   +0 :               0.00004472171161
                   +1 :              -0.00011177128015
                   +2 :              -0.00000970703286
                4d
                   -2 :              -0.00003244542786
                   -1 :               0.00001163552096
                   +0 :               0.00001695438668
                   +1 :               0.00000154398976
                   +2 :               0.00001528498401
                4p
                   -1 :              -0.00002532638401
                   +0 :              -0.00004026472168
                   +1 :               0.00001392037779
             14 vec=    -7.570876     -7.607297     13.854306   |vec|=   17.525151
                3s
                   +0 :              -0.00008672391815
                3p
                   -1 :               0.00003540759702
                   +0 :              -0.00005261628876
                   +1 :               0.00010241564030
                4s
                   +0 :              -0.00011070273809
                5s
                   +0 :              -0.00001348775562
                3d
                   -2 :              -0.00043158623395
                   -1 :               0.00019060253869
                   +0 :               0.00018801975527
                   +1 :               0.00039462151394
                   +2 :              -0.00031366072919
                4d
                   -2 :              -0.00004936778709
                   -1 :               0.00001247271998
                   +0 :               0.00000620845799
                   +1 :               0.00002522060040
                   +2 :              -0.00003160561821
                4p
                   -1 :               0.00007058673260
                   +0 :               0.00002007251030
                   +1 :               0.00011107448258
             15 vec=     7.989449     -7.607297     13.854306   |vec|=   17.709998
                3s
                   +0 :              -0.00004697182500
                3p
                   -1 :               0.00004434432265
                   +0 :              -0.00001610900823
                   +1 :              -0.00003864406226
                4s
                   +0 :              -0.00004175940577
                5s
                   +0 :               0.00000207525773
                3d
                   -2 :               0.00023677155249
                   -1 :               0.00011347202857
                   +0 :               0.00006889653927
                   +1 :              -0.00014130915052
                   +2 :               0.00003253385810
                4d
                   -2 :              -0.00002110683348
                   -1 :              -0.00000259542600
                   +0 :              -0.00000942363318
                   +1 :               0.00000168752057
                   +2 :              -0.00000146904009
                4p
                   -1 :               0.00000426615813
                   +0 :              -0.00000459056104
                   +1 :              -0.00001601375720
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al(  4)  npairs=  13
              1 vec=     0.209286     -3.115418      6.601980   |vec|=    7.303134
                2s
                   +0 :              -0.00164036338668
                2p
                   -1 :               0.00105948256472
                   +0 :              -0.00129000344082
                   +1 :              -0.00012926293846
                3s
                   +0 :               0.00663644300274
                4s
                   +0 :              -0.00243649731955
                3p
                   -1 :              -0.00120366422508
                   +0 :              -0.00033551018761
                   +1 :               0.00055017982408
                4p
                   -1 :               0.00027854910645
                   +0 :              -0.00173916682646
                   +1 :               0.00006460416631
                3d
                   -2 :              -0.00061040863064
                   -1 :               0.00255535456151
                   +0 :              -0.00264339180557
                   +1 :              -0.00006982481295
                   +2 :               0.00333819410393
              2 vec=     0.209286      5.868340      6.601980   |vec|=    8.835573
                2s
                   +0 :              -0.00120331909213
                2p
                   -1 :               0.00013800541282
                   +0 :               0.00010222034476
                   +1 :               0.00032485916845
                3s
                   +0 :               0.01629929078149
                4s
                   +0 :              -0.00031234396461
                3p
                   -1 :               0.00978066133417
                   +0 :               0.00810043602561
                   +1 :              -0.00207240612087
                4p
                   -1 :               0.00046620318301
                   +0 :               0.00054686366552
                   +1 :               0.00066261484530
                3d
                   -2 :              -0.00037425273943
                   -1 :               0.00428353487163
                   +0 :               0.00063292864396
                   +1 :              -0.00031647565755
                   +2 :              -0.00283007443431
              3 vec=    -7.570876      1.376461      6.601980   |vec|=   10.138982
                2s
                   +0 :               0.00064548464228
                2p
                   -1 :              -0.00074345563906
                   +0 :               0.00038926469850
                   +1 :               0.00021986068547
                3s
                   +0 :               0.00053128195649
                4s
                   +0 :              -0.00107689452933
                3p
                   -1 :               0.00344170392511
                   +0 :              -0.00108868419270
                   +1 :              -0.00268091092866
                4p
                   -1 :              -0.00090849110908
                   +0 :              -0.00024852080143
                   +1 :               0.00116515684165
                3d
                   -2 :              -0.00080909511745
                   -1 :               0.00037240579977
                   +0 :               0.00039270489537
                   +1 :              -0.00008312888373
                   +2 :               0.00108745719448
              4 vec=     7.989449      1.376461      6.601980   |vec|=   10.455242
                2s
                   +0 :              -0.00048373251734
                2p
                   -1 :              -0.00010377393668
                   +0 :              -0.00001220395255
                   +1 :              -0.00017554835562
                3s
                   +0 :               0.00242110759800
                4s
                   +0 :              -0.00081956352626
                3p
                   -1 :               0.00041535766785
                   +0 :              -0.00020521704194
                   +1 :               0.00186395322636
                4p
                   -1 :              -0.00015834486445
                   +0 :               0.00006360120074
                   +1 :              -0.00063680889887
                3d
                   -2 :               0.00002726387734
                   -1 :               0.00008415687171
                   +0 :               0.00025332328718
                   +1 :               0.00008383040496
                   +2 :               0.00042985293178
              5 vec=    -7.570876     -7.607297      6.601980   |vec|=   12.600606
                2s
                   +0 :              -0.00029552598733
                2p
                   -1 :               0.00002100765835
                   +0 :              -0.00010361460063
                   +1 :               0.00007224032862
                3s
                   +0 :               0.00072571632428
                4s
                   +0 :              -0.00004206611897
                3p
                   -1 :               0.00040367057286
                   +0 :               0.00068005263609
                   +1 :              -0.00017540912285
                4p
                   -1 :              -0.00021185867159
                   +0 :              -0.00006031986289
                   +1 :              -0.00005463746847
                3d
                   -2 :              -0.00014949661951
                   -1 :              -0.00002419784022
                   +0 :               0.00029280362946
                   +1 :              -0.00019999670956
                   +2 :               0.00012055653428
              6 vec=     7.989449     -7.607297      6.601980   |vec|=   12.856453
                2s
                   +0 :               0.00042664636247
                2p
                   -1 :              -0.00015584794784
                   +0 :               0.00013272685461
                   +1 :               0.00011777447115
                3s
                   +0 :              -0.00140622820493
                4s
                   +0 :               0.00045419238155
                3p
                   -1 :               0.00094195058111
                   +0 :              -0.00059313976450
                   +1 :              -0.00060146626405
                4p
                   -1 :              -0.00015129960976
                   +0 :               0.00017943636617
                   +1 :               0.00011934827133
                3d
                   -2 :               0.00011734308056
                   -1 :               0.00010203991808
                   +0 :               0.00005071032669
                   +1 :              -0.00015090119327
                   +2 :               0.00001611513103
              7 vec=     0.209286    -12.099176      6.601980   |vec|=   13.784774
                2s
                   +0 :               0.00013447152615
                2p
                   -1 :               0.00000564793497
                   +0 :               0.00008671473316
                   +1 :              -0.00001341482027
                3s
                   +0 :              -0.00024835249617
                4s
                   +0 :               0.00016618812373
                3p
                   -1 :              -0.00016020227236
                   +0 :              -0.00050139126282
                   +1 :               0.00013592603516
                4p
                   -1 :              -0.00001493532504
                   +0 :               0.00009966749353
                   +1 :              -0.00007921891584
                3d
                   -2 :              -0.00001742373656
                   -1 :               0.00007544096816
                   +0 :               0.00002387586508
                   +1 :              -0.00001656894600
                   +2 :              -0.00008346252208
              8 vec=    -7.570876     10.360219      6.601980   |vec|=   14.430470
                2s
                   +0 :               0.00008893405929
                2p
                   -1 :               0.00001919270483
                   +0 :              -0.00003839356843
                   +1 :               0.00000366474980
                3s
                   +0 :              -0.00030189503251
                4s
                   +0 :               0.00013054035861
                3p
                   -1 :              -0.00007523042184
                   +0 :               0.00009130006763
                   +1 :              -0.00013536844348
                4p
                   -1 :              -0.00000428035891
                   +0 :               0.00004079528119
                   +1 :               0.00003403923865
                3d
                   -2 :              -0.00009512594901
                   -1 :               0.00002536440635
                   +0 :              -0.00006754197194
                   +1 :               0.00000725740351
                   +2 :               0.00006044603224
              9 vec=     7.989449     10.360219      6.601980   |vec|=   14.654405
                2s
                   +0 :               0.00004222688190
                2p
                   -1 :               0.00001312655704
                   +0 :               0.00000502510588
                   +1 :               0.00003815373030
                3s
                   +0 :              -0.00004940008084
                4s
                   +0 :              -0.00008419850188
                3p
                   -1 :              -0.00017007869515
                   +0 :               0.00004930074544
                   +1 :              -0.00011795641621
                4p
                   -1 :               0.00002848716672
                   +0 :              -0.00003417431030
                   +1 :              -0.00001480106402
                3d
                   -2 :              -0.00002542985866
                   -1 :              -0.00000485418695
                   +0 :               0.00001096181214
                   +1 :               0.00002059321284
                   +2 :              -0.00001019821046
             10 vec=     0.209286     14.852098      6.601980   |vec|=   16.254684
                2s
                   +0 :              -0.00008441095197
                2p
                   -1 :              -0.00001365096849
                   +0 :              -0.00004515053021
                   +1 :              -0.00001383609412
                3s
                   +0 :               0.00031208949834
                4s
                   +0 :              -0.00006380352863
                3p
                   -1 :               0.00004358765252
                   +0 :               0.00022948770941
                   +1 :               0.00012799318592
                4p
                   -1 :               0.00002206328386
                   +0 :              -0.00005246212203
                   +1 :              -0.00004948759186
                3d
                   -2 :               0.00002060895590
                   -1 :               0.00004040521741
                   +0 :               0.00003913469674
                   +1 :              -0.00000671927762
                   +2 :              -0.00000980377865
             11 vec=   -15.351039     -3.115418      6.601980   |vec|=   16.998422
                2s
                   +0 :              -0.00002157144042
                2p
                   -1 :              -0.00000253345227
                   +0 :               0.00002090545952
                   +1 :              -0.00000356505040
                3s
                   +0 :               0.00000332363505
                4s
                   +0 :               0.00004635024015
                3p
                   -1 :               0.00004762359053
                   +0 :              -0.00012439731327
                   +1 :               0.00004087313172
                4p
                   -1 :              -0.00002917767871
                   +0 :               0.00003501208189
                   +1 :              -0.00003556733541
                3d
                   -2 :              -0.00001883177800
                   -1 :               0.00000410877243
                   +0 :              -0.00001880639285
                   +1 :               0.00002829618562
                   +2 :               0.00003458211431
             12 vec=    15.769612     -3.115418      6.601980   |vec|=   17.377359
                2s
                   +0 :              -0.00001673219415
                2p
                   -1 :               0.00001907308784
                   +0 :              -0.00003753145222
                   +1 :               0.00001533216332
                3s
                   +0 :               0.00010732274591
                4s
                   +0 :              -0.00001091845165
                3p
                   -1 :              -0.00010927547154
                   +0 :               0.00019020640393
                   +1 :              -0.00006848100954
                4p
                   -1 :               0.00002084225707
                   +0 :              -0.00003622036379
                   +1 :               0.00003441339971
                3d
                   -2 :              -0.00001747436683
                   -1 :              -0.00000644220645
                   +0 :               0.00003302537249
                   +1 :               0.00004326742889
                   +2 :              -0.00002919269559
             13 vec=   -15.351039      5.868340      6.601980   |vec|=   17.710956
                2s
                   +0 :              -0.00002081017932
                2p
                   -1 :              -0.00003233273829
                   +0 :               0.00002694789035
                   +1 :               0.00000092769216
                3s
                   +0 :               0.00015043898995
                4s
                   +0 :              -0.00010024926477
                3p
                   -1 :               0.00021591821422
                   +0 :              -0.00010735798188
                   +1 :              -0.00003799726263
                4p
                   -1 :              -0.00007673474508
                   +0 :               0.00000905175949
                   +1 :               0.00002967997171
                3d
                   -2 :              -0.00002948070217
                   -1 :              -0.00002347028156
                   +0 :               0.00002062391768
                   +1 :               0.00003226387635
                   +2 :               0.00000552512225
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al(  5)  npairs=  14
              1 vec=    -2.384101      1.376461      2.510641   |vec|=    3.725842
                2s
                   +0 :               0.02037994703288
                2p
                   -1 :               0.01063723435826
                   +0 :               0.01877992107412
                   +1 :              -0.02374868382147
                3s
                   +0 :               0.08050934337095
                4s
                   +0 :               0.00619765279491
                3p
                   -1 :               0.03284740831425
                   +0 :               0.02986816999435
                   +1 :              -0.04280514150158
                4p
                   -1 :               0.00397201038161
                   +0 :               0.00964150317862
                   +1 :              -0.01317522872439
                3d
                   -2 :              -0.03240332092493
                   -1 :               0.01863323760557
                   +0 :              -0.00909143332871
                   +1 :              -0.03362141009501
                   +2 :               0.02064254198783
              2 vec=     5.396061     -3.115418      2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00215897157893
                2p
                   -1 :               0.00036070421331
                   +0 :              -0.00053275497207
                   +1 :              -0.00181047764306
                3s
                   +0 :               0.00878760848184
                4s
                   +0 :              -0.00534865329582
                3p
                   -1 :              -0.00076497483272
                   +0 :               0.00005854339824
                   +1 :               0.00732430142344
                4p
                   -1 :               0.00070457912712
                   +0 :              -0.00156562257589
                   +1 :              -0.00322744144192
                3d
                   -2 :              -0.00089149901979
                   -1 :              -0.00025447164815
                   +0 :               0.00283775893179
                   +1 :               0.00031797972623
                   +2 :               0.00026200009429
              3 vec=    -2.384101     -7.607297      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00068668147439
                2p
                   -1 :              -0.00037098223004
                   +0 :               0.00039201880713
                   +1 :              -0.00011406253080
                3s
                   +0 :              -0.00627326184039
                4s
                   +0 :               0.00284604786001
                3p
                   -1 :               0.00470761323497
                   +0 :              -0.00458515993666
                   +1 :               0.00106777448184
                4p
                   -1 :              -0.00157699822476
                   +0 :               0.00121917139033
                   +1 :              -0.00088524821601
                3d
                   -2 :              -0.00038572376005
                   -1 :               0.00131746095591
                   +0 :              -0.00036251522418
                   +1 :               0.00044085755936
                   +2 :               0.00067215704579
              4 vec=     5.396061      5.868340      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00109526265724
                2p
                   -1 :              -0.00001484227769
                   +0 :               0.00016130857935
                   +1 :               0.00038422746087
                3s
                   +0 :              -0.00435207867772
                4s
                   +0 :               0.00213041332581
                3p
                   -1 :              -0.00155103474881
                   +0 :              -0.00118268690009
                   +1 :              -0.00217977867059
                4p
                   -1 :               0.00043365877793
                   +0 :               0.00046156661901
                   +1 :               0.00046417708547
                3d
                   -2 :              -0.00011243646361
                   -1 :               0.00031244837771
                   +0 :              -0.00014633490387
                   +1 :              -0.00048044804136
                   +2 :              -0.00080320969656
              5 vec=   -10.164264     -3.115418      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00005520352817
                2p
                   -1 :              -0.00000245865285
                   +0 :               0.00006444925074
                   +1 :               0.00009104108601
                3s
                   +0 :               0.00069344209501
                4s
                   +0 :              -0.00041608909875
                3p
                   -1 :              -0.00076893650838
                   +0 :              -0.00007830699057
                   +1 :              -0.00108759253654
                4p
                   -1 :               0.00025543336944
                   +0 :              -0.00004818378711
                   +1 :               0.00037440982437
                3d
                   -2 :               0.00027213314049
                   -1 :               0.00008699130941
                   +0 :              -0.00010689034407
                   +1 :              -0.00006688288760
                   +2 :              -0.00008025329157
              6 vec=    -2.384101     10.360219      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00033575633100
                2p
                   -1 :               0.00031494896125
                   +0 :              -0.00036030506749
                   +1 :              -0.00006042420166
                3s
                   +0 :               0.00065372531794
                4s
                   +0 :              -0.00014909970598
                3p
                   -1 :              -0.00010368743682
                   +0 :               0.00159279513434
                   +1 :               0.00046480139609
                4p
                   -1 :               0.00014056843663
                   +0 :              -0.00044102727479
                   +1 :               0.00002138568907
                3d
                   -2 :               0.00035052497619
                   -1 :               0.00017188632066
                   +0 :               0.00001187919171
                   +1 :              -0.00027281452135
                   +2 :              -0.00010961568539
              7 vec=   -10.164264      5.868340      2.510641   |vec|=   12.002208
                2s
                   +0 :              -0.00016805860372
                2p
                   -1 :              -0.00015295944626
                   +0 :              -0.00008397257448
                   +1 :              -0.00014895677159
                3s
                   +0 :               0.00026150137709
                4s
                   +0 :               0.00034901742666
                3p
                   -1 :               0.00062247886169
                   +0 :               0.00043729824838
                   +1 :               0.00105362660719
                4p
                   -1 :               0.00004006126253
                   +0 :              -0.00012907967000
                   +1 :              -0.00053428407229
                3d
                   -2 :              -0.00026442066721
                   -1 :               0.00016246114830
                   +0 :               0.00000744317573
                   +1 :              -0.00006008678792
                   +2 :              -0.00036933559888
              8 vec=     5.396061    -12.099176      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00015868909641
                2p
                   -1 :               0.00000571079248
                   +0 :               0.00007593827107
                   +1 :              -0.00001327055380
                3s
                   +0 :              -0.00063630013838
                4s
                   +0 :               0.00015396255257
                3p
                   -1 :               0.00005293659238
                   +0 :              -0.00038943991117
                   +1 :               0.00011621078485
                4p
                   -1 :              -0.00002547050193
                   +0 :               0.00002642485419
                   +1 :              -0.00004813372750
                3d
                   -2 :              -0.00027502336389
                   -1 :               0.00018258601570
                   +0 :              -0.00004737716569
                   +1 :               0.00006338188557
                   +2 :              -0.00000064203180
              9 vec=    13.176224      1.376461      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00016671892989
                2p
                   -1 :              -0.00001195874738
                   +0 :              -0.00007912974583
                   +1 :               0.00004067050694
                3s
                   +0 :              -0.00038587373115
                4s
                   +0 :              -0.00001739206786
                3p
                   -1 :               0.00005684543504
                   +0 :               0.00029981311968
                   +1 :              -0.00000326245042
                4p
                   -1 :              -0.00003037965063
                   +0 :              -0.00005398262684
                   +1 :              -0.00009833555920
                3d
                   -2 :              -0.00002658133565
                   -1 :              -0.00004132032776
                   +0 :              -0.00000549633377
                   +1 :               0.00006967170700
                   +2 :               0.00001983097490
             10 vec=    13.176224     -7.607297      2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00001459074851
                2p
                   -1 :               0.00001026294323
                   +0 :               0.00002615538631
                   +1 :              -0.00004825104342
                3s
                   +0 :               0.00001925708521
                4s
                   +0 :              -0.00001633271828
                3p
                   -1 :              -0.00004612155191
                   +0 :              -0.00014491715328
                   +1 :               0.00020752706216
                4p
                   -1 :               0.00000319141453
                   +0 :               0.00002118077487
                   +1 :              -0.00006413508776
                3d
                   -2 :              -0.00005968515858
                   -1 :               0.00002740144851
                   +0 :              -0.00000986705202
                   +1 :              -0.00004562509207
                   +2 :               0.00002730899588
             11 vec=   -10.164264    -12.099176      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00003983500851
                2p
                   -1 :              -0.00000200123426
                   +0 :              -0.00001536832333
                   +1 :              -0.00003438309636
                3s
                   +0 :               0.00007700103702
                4s
                   +0 :               0.00000519489331
                3p
                   -1 :              -0.00006060803117
                   +0 :              -0.00006786573492
                   +1 :               0.00001638521236
                4p
                   -1 :               0.00002757584455
                   +0 :               0.00000230090165
                   +1 :              -0.00001844312853
                3d
                   -2 :               0.00000179493902
                   -1 :               0.00003507677204
                   +0 :               0.00002331500624
                   +1 :               0.00002102834583
                   +2 :               0.00003248060833
             12 vec=     5.396061     14.852098      2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00004384968378
                2p
                   -1 :              -0.00004219062566
                   +0 :               0.00004010047078
                   +1 :               0.00005492128714
                3s
                   +0 :               0.00031710451797
                4s
                   +0 :              -0.00009334890739
                3p
                   -1 :               0.00033233778883
                   +0 :              -0.00026512973589
                   +1 :              -0.00035299141630
                4p
                   -1 :              -0.00008290803316
                   +0 :               0.00003132598776
                   +1 :               0.00007928787981
                3d
                   -2 :              -0.00003879897560
                   -1 :              -0.00006606271569
                   +0 :               0.00000823522977
                   +1 :               0.00001438481842
                   +2 :              -0.00005556180190
             13 vec=    -2.384101    -16.591055      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00000106514450
                2p
                   -1 :              -0.00001142354134
                   +0 :               0.00000252064599
                   +1 :               0.00001920991656
                3s
                   +0 :               0.00000330121894
                4s
                   +0 :               0.00000657736514
                3p
                   -1 :               0.00004925824134
                   +0 :              -0.00003180905093
                   +1 :              -0.00010726569236
                4p
                   -1 :              -0.00000691174718
                   +0 :               0.00000254381902
                   +1 :               0.00003955670399
                3d
                   -2 :               0.00003359669530
                   -1 :              -0.00001374528525
                   +0 :              -0.00001220955291
                   +1 :              -0.00001033687103
                   +2 :              -0.00000221519119
             14 vec=    13.176224     10.360219      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00001046120715
                2p
                   -1 :               0.00001156476724
                   +0 :              -0.00001276032773
                   +1 :              -0.00000358673361
                3s
                   +0 :               0.00005234004966
                4s
                   +0 :              -0.00000461939836
                3p
                   -1 :              -0.00004515681251
                   +0 :               0.00001232005667
                   +1 :               0.00000253089714
                4p
                   -1 :               0.00000441973190
                   +0 :               0.00000883727651
                   +1 :               0.00000959946646
                3d
                   -2 :              -0.00001764929521
                   -1 :               0.00000491611624
                   +0 :               0.00001472295413
                   +1 :               0.00000860799754
                   +2 :               0.00001799853151
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al(  6)  npairs=  13
              1 vec=    -2.384101      1.376461      9.762967   |vec|=   10.143673
                2s
                   +0 :               0.00047359901001
                2p
                   -1 :               0.00007708245898
                   +0 :              -0.00020691545394
                   +1 :              -0.00032390415422
                3s
                   +0 :              -0.00017096049687
                4s
                   +0 :              -0.00002236726720
                3p
                   -1 :              -0.00015200366652
                   +0 :               0.00182038912406
                   +1 :               0.00135623476100
                4p
                   -1 :              -0.00007940678179
                   +0 :              -0.00057719656843
                   +1 :              -0.00016549698744
                3d
                   -2 :               0.00009330002560
                   -1 :               0.00021084512879
                   +0 :               0.00013816205876
                   +1 :              -0.00057487294448
                   +2 :               0.00019415972732
              2 vec=     5.396061     -3.115418      9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00074801828612
                2p
                   -1 :               0.00012589275772
                   +0 :              -0.00016493896589
                   +1 :              -0.00000112100604
                3s
                   +0 :               0.00258677998806
                4s
                   +0 :              -0.00110374563601
                3p
                   -1 :              -0.00073506536618
                   +0 :               0.00140250794735
                   +1 :               0.00001404436074
                4p
                   -1 :               0.00026228330389
                   +0 :              -0.00048006008508
                   +1 :               0.00001586143961
                3d
                   -2 :               0.00021375478500
                   -1 :              -0.00008681484687
                   +0 :               0.00028602931820
                   +1 :               0.00004876459385
                   +2 :              -0.00007076728405
              3 vec=    -2.384101     -7.607297      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00035526116997
                2p
                   -1 :              -0.00037896136906
                   +0 :               0.00014023614939
                   +1 :              -0.00003073520461
                3s
                   +0 :               0.00151597532610
                4s
                   +0 :               0.00016693959820
                3p
                   -1 :              -0.00114700378022
                   +0 :               0.00038029798264
                   +1 :               0.00054024981067
                4p
                   -1 :              -0.00023990110987
                   +0 :              -0.00006265879557
                   +1 :              -0.00011952214206
                3d
                   -2 :              -0.00016589313269
                   -1 :              -0.00020697833086
                   +0 :              -0.00036889904201
                   +1 :               0.00007542820945
                   +2 :              -0.00062165465184
              4 vec=     5.396061      5.868340      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00003168033497
                2p
                   -1 :               0.00023407214893
                   +0 :               0.00005538270767
                   +1 :               0.00002805719084
                3s
                   +0 :               0.00144265237701
                4s
                   +0 :               0.00011596704708
                3p
                   -1 :              -0.00013507459359
                   +0 :               0.00033377907775
                   +1 :               0.00112403895370
                4p
                   -1 :               0.00038678480927
                   +0 :               0.00005291168729
                   +1 :               0.00001189244704
                3d
                   -2 :               0.00031087344330
                   -1 :               0.00017538990561
                   +0 :              -0.00024642810072
                   +1 :               0.00008277495553
                   +2 :               0.00013713144385
              5 vec=   -10.164264     -3.115418      9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00002064257657
                2p
                   -1 :               0.00014112037898
                   +0 :              -0.00001683928525
                   +1 :              -0.00012264155396
                3s
                   +0 :              -0.00014101292389
                4s
                   +0 :               0.00008181057452
                3p
                   -1 :              -0.00063369466733
                   +0 :               0.00005089088366
                   +1 :               0.00063470878823
                4p
                   -1 :               0.00008727920483
                   +0 :              -0.00001593245887
                   +1 :              -0.00015856952152
                3d
                   -2 :               0.00008038004475
                   -1 :              -0.00012001726668
                   +0 :              -0.00001189033080
                   +1 :               0.00006444652440
                   +2 :              -0.00015164372284
              6 vec=    -2.384101     10.360219      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00012748587469
                2p
                   -1 :              -0.00014296336118
                   +0 :              -0.00001799083017
                   +1 :              -0.00000235203854
                3s
                   +0 :               0.00054297551131
                4s
                   +0 :              -0.00020828059017
                3p
                   -1 :               0.00071480164746
                   +0 :               0.00005588729440
                   +1 :              -0.00001120496887
                4p
                   -1 :              -0.00022652719957
                   +0 :               0.00000594807095
                   +1 :               0.00003348625389
                3d
                   -2 :               0.00005841825270
                   -1 :               0.00008835018556
                   +0 :              -0.00004623748093
                   +1 :               0.00005356287280
                   +2 :              -0.00000533221933
              7 vec=    -2.384101      1.376461    -14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00008351378244
                2p
                   -1 :               0.00006588922862
                   +0 :              -0.00003431972167
                   +1 :               0.00008899515502
                3s
                   +0 :              -0.00071964546276
                4s
                   +0 :               0.00019801581467
                3p
                   -1 :              -0.00030121208356
                   +0 :               0.00046017535192
                   +1 :              -0.00051436465595
                4p
                   -1 :               0.00011400592043
                   +0 :              -0.00012853744706
                   +1 :               0.00008255685996
                3d
                   -2 :               0.00004059842642
                   -1 :               0.00000629819455
                   +0 :              -0.00010789395261
                   +1 :               0.00009963797082
                   +2 :              -0.00004242398935
              8 vec=   -10.164264      5.868340      9.762967   |vec|=   15.266473
                2s
                   +0 :               0.00018646102893
                2p
                   -1 :               0.00005480556018
                   +0 :               0.00016746118275
                   +1 :              -0.00012203477645
                3s
                   +0 :              -0.00055336212623
                4s
                   +0 :               0.00022572675477
                3p
                   -1 :              -0.00015967130681
                   +0 :              -0.00071246697922
                   +1 :               0.00061112651988
                4p
                   -1 :               0.00000819431422
                   +0 :               0.00021902104565
                   +1 :              -0.00020253736746
                3d
                   -2 :               0.00009514256098
                   -1 :              -0.00013399264854
                   +0 :              -0.00003877224301
                   +1 :               0.00020868079366
                   +2 :              -0.00003538400198
              9 vec=     5.396061     -3.115418    -14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00008041757434
                2p
                   -1 :               0.00004438939514
                   +0 :               0.00003683648299
                   +1 :              -0.00003104864583
                3s
                   +0 :               0.00024826931160
                4s
                   +0 :              -0.00012879462017
                3p
                   -1 :              -0.00030849183912
                   +0 :              -0.00029782785795
                   +1 :               0.00035441032581
                4p
                   -1 :               0.00005810530086
                   +0 :               0.00010181080190
                   +1 :              -0.00005739269770
                3d
                   -2 :              -0.00001369757256
                   -1 :               0.00008495637142
                   +0 :               0.00002160151846
                   +1 :              -0.00008895447163
                   +2 :              -0.00002323527374
             10 vec=     5.396061    -12.099176      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00006103114845
                2p
                   -1 :               0.00003227652433
                   +0 :              -0.00000404219287
                   +1 :              -0.00002529914286
                3s
                   +0 :               0.00019620353918
                4s
                   +0 :              -0.00005778420078
                3p
                   -1 :              -0.00009587897010
                   +0 :               0.00002651857751
                   +1 :               0.00011004323333
                4p
                   -1 :               0.00002963353962
                   +0 :               0.00000975045363
                   +1 :              -0.00004455777775
                3d
                   -2 :               0.00000347262086
                   -1 :              -0.00004221556530
                   +0 :               0.00000679791719
                   +1 :              -0.00000946736167
                   +2 :              -0.00002547845643
             11 vec=    13.176224      1.376461      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00008352134459
                2p
                   -1 :               0.00000196825778
                   +0 :              -0.00000342558826
                   +1 :              -0.00006152262951
                3s
                   +0 :               0.00037390040100
                4s
                   +0 :              -0.00013672247097
                3p
                   -1 :              -0.00007179428189
                   +0 :              -0.00002938631668
                   +1 :               0.00033864046423
                4p
                   -1 :               0.00002432435864
                   +0 :               0.00000709968298
                   +1 :              -0.00011376552473
                3d
                   -2 :               0.00001738019968
                   -1 :              -0.00002845884873
                   +0 :              -0.00001998713849
                   +1 :              -0.00001560822597
                   +2 :              -0.00001434976583
             12 vec=    -2.384101     -7.607297    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00014806000145
                2p
                   -1 :               0.00000040737070
                   +0 :              -0.00004325346290
                   +1 :              -0.00002552746629
                3s
                   +0 :              -0.00059065612372
                4s
                   +0 :               0.00010298169453
                3p
                   -1 :              -0.00000293378718
                   +0 :               0.00017300827350
                   +1 :               0.00022952865576
                4p
                   -1 :               0.00002244895033
                   +0 :              -0.00001390210309
                   +1 :              -0.00002581260540
                3d
                   -2 :              -0.00006063032822
                   -1 :               0.00000375521254
                   +0 :               0.00004977767706
                   +1 :              -0.00005191644040
                   +2 :              -0.00009537186071
             13 vec=     5.396061      5.868340    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00011491481695
                2p
                   -1 :               0.00002619175834
                   +0 :              -0.00003401525849
                   +1 :               0.00001490401337
                3s
                   +0 :              -0.00060872245135
                4s
                   +0 :               0.00012563569445
                3p
                   -1 :              -0.00024464535189
                   +0 :               0.00020916774836
                   +1 :              -0.00007110411114
                4p
                   -1 :               0.00002446476446
                   +0 :              -0.00005402524601
                   +1 :               0.00000666919561
                3d
                   -2 :               0.00003126338451
                   -1 :               0.00002176348149
                   +0 :               0.00002240803070
                   +1 :              -0.00001082005749
                   +2 :               0.00007161692067
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al(  7)  npairs=  14
              1 vec=    -2.384101      1.376461     -2.510804   |vec|=    3.725953
                2s
                   +0 :              -0.02031270929969
                2p
                   -1 :              -0.01522413275172
                   +0 :               0.01875845993014
                   +1 :               0.02103628545925
                3s
                   +0 :              -0.08082395664890
                4s
                   +0 :              -0.00616582488658
                3p
                   -1 :              -0.02080388610367
                   +0 :               0.02993870607405
                   +1 :               0.05014513357870
                4p
                   -1 :              -0.00939751894819
                   +0 :               0.00962669344078
                   +1 :               0.00999417846485
                3d
                   -2 :               0.03414878474582
                   -1 :               0.01980547736200
                   +0 :               0.00919376427482
                   +1 :              -0.03295457948167
                   +2 :              -0.01779174478842
              2 vec=     5.396061     -3.115418     -2.510804   |vec|=    6.717696
                2s
                   +0 :               0.00215512542414
                2p
                   -1 :              -0.00138813726405
                   +0 :              -0.00054102394952
                   +1 :               0.00121447445271
                3s
                   +0 :              -0.00875772384456
                4s
                   +0 :               0.00532329159327
                3p
                   -1 :               0.00595776323146
                   +0 :               0.00009447063512
                   +1 :              -0.00427527421788
                4p
                   -1 :              -0.00244256394658
                   +0 :              -0.00158733296978
                   +1 :               0.00221145412718
                3d
                   -2 :               0.00068348103198
                   -1 :              -0.00013285539143
                   +0 :              -0.00283251978609
                   +1 :               0.00036242593408
                   +2 :              -0.00064429888289
              3 vec=    -2.384101     -7.607297     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00108974055297
                2p
                   -1 :               0.00031693202242
                   +0 :               0.00015810498832
                   +1 :              -0.00020126911146
                3s
                   +0 :               0.00434673941847
                4s
                   +0 :              -0.00213770602584
                3p
                   -1 :              -0.00262780528551
                   +0 :              -0.00114101423730
                   +1 :              -0.00026567007669
                4p
                   -1 :               0.00061047526497
                   +0 :               0.00044349222542
                   +1 :               0.00014783977108
                3d
                   -2 :              -0.00064515862566
                   -1 :               0.00026473808953
                   +0 :               0.00015515526924
                   +1 :              -0.00052061235971
                   +2 :              -0.00049458050349
              4 vec=     5.396061      5.868340     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00069105417702
                2p
                   -1 :              -0.00028114871169
                   +0 :               0.00038740667543
                   +1 :              -0.00026688294868
                3s
                   +0 :               0.00633549655078
                4s
                   +0 :              -0.00284395117019
                3p
                   -1 :               0.00331534938643
                   +0 :              -0.00457045922521
                   +1 :               0.00357018275623
                4p
                   -1 :              -0.00155194259261
                   +0 :               0.00121886012634
                   +1 :              -0.00093175372275
                3d
                   -2 :               0.00077976469621
                   -1 :              -0.00102981834599
                   +0 :               0.00035921727069
                   +1 :              -0.00091277682108
                   +2 :              -0.00000560984390
              5 vec=   -10.164264     -3.115418     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00033672132738
                2p
                   -1 :               0.00010494194998
                   +0 :              -0.00035870881231
                   +1 :               0.00029944413309
                3s
                   +0 :              -0.00063426204338
                4s
                   +0 :               0.00015441126367
                3p
                   -1 :               0.00034025415036
                   +0 :               0.00158081035626
                   +1 :              -0.00034403296540
                4p
                   -1 :               0.00008677277801
                   +0 :              -0.00043332492417
                   +1 :               0.00011104350681
                3d
                   -2 :              -0.00026630040534
                   -1 :               0.00014669140612
                   +0 :              -0.00001768797846
                   +1 :              -0.00028707907634
                   +2 :               0.00024824575507
              6 vec=    -2.384101     10.360219     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00005294585116
                2p
                   -1 :               0.00008049817224
                   +0 :               0.00006569601130
                   +1 :              -0.00004800098646
                3s
                   +0 :              -0.00072352088899
                4s
                   +0 :               0.00042402266517
                3p
                   -1 :              -0.00133581981891
                   +0 :              -0.00008881930966
                   +1 :              -0.00011196257333
                4p
                   -1 :               0.00045495692911
                   +0 :              -0.00004555696547
                   +1 :               0.00003036527695
                3d
                   -2 :              -0.00020694871772
                   -1 :               0.00001020508133
                   +0 :               0.00010606574096
                   +1 :              -0.00010922364203
                   +2 :               0.00019909387838
              7 vec=   -10.164264      5.868340     -2.510804   |vec|=   12.002242
                2s
                   +0 :               0.00017207818893
                2p
                   -1 :              -0.00020284984862
                   +0 :              -0.00008583730557
                   +1 :              -0.00005829506484
                3s
                   +0 :              -0.00032374704084
                4s
                   +0 :              -0.00034093122293
                3p
                   -1 :               0.00120768236004
                   +0 :               0.00043298933234
                   +1 :               0.00002704136491
                4p
                   -1 :              -0.00043996559978
                   +0 :              -0.00012721438332
                   +1 :               0.00029822464083
                3d
                   -2 :              -0.00018725585787
                   -1 :              -0.00003188015484
                   +0 :              -0.00000545621133
                   +1 :              -0.00017059821716
                   +2 :              -0.00041087737053
              8 vec=     5.396061    -12.099176     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00016036861104
                2p
                   -1 :               0.00002920989705
                   +0 :              -0.00007837556096
                   +1 :              -0.00002980700983
                3s
                   +0 :               0.00037665404420
                4s
                   +0 :               0.00001850251840
                3p
                   -1 :               0.00001961983367
                   +0 :               0.00029756188971
                   +1 :               0.00004715408757
                4p
                   -1 :              -0.00009955778503
                   +0 :              -0.00005752137770
                   +1 :               0.00002168730936
                3d
                   -2 :               0.00003366320040
                   -1 :              -0.00003627331178
                   +0 :               0.00000683194502
                   +1 :               0.00007173257799
                   +2 :              -0.00001397729459
              9 vec=    13.176224      1.376461     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00016417462895
                2p
                   -1 :              -0.00000751271203
                   +0 :               0.00007363746203
                   +1 :               0.00000868020796
                3s
                   +0 :               0.00062630978839
                4s
                   +0 :              -0.00015574367563
                3p
                   -1 :               0.00012120386445
                   +0 :              -0.00038929907474
                   +1 :              -0.00000987423874
                4p
                   -1 :              -0.00005072041678
                   +0 :               0.00002790582161
                   +1 :               0.00000009011229
                3d
                   -2 :               0.00013805174100
                   -1 :              -0.00014476999687
                   +0 :               0.00004881525901
                   +1 :              -0.00012632784176
                   +2 :              -0.00023900477014
             10 vec=    13.176224     -7.607297     -2.510804   |vec|=   15.420376
                2s
                   +0 :               0.00001846998322
                2p
                   -1 :              -0.00003619581123
                   +0 :               0.00002597796532
                   +1 :               0.00003491785731
                3s
                   +0 :              -0.00003191064224
                4s
                   +0 :               0.00001955431855
                3p
                   -1 :               0.00015787332249
                   +0 :              -0.00013944360862
                   +1 :              -0.00015359341242
                4p
                   -1 :              -0.00005488913116
                   +0 :               0.00002010440669
                   +1 :               0.00003700890741
                3d
                   -2 :               0.00005441368804
                   -1 :               0.00002524132040
                   +0 :               0.00001126888663
                   +1 :              -0.00004582229354
                   +2 :              -0.00003765785435
             11 vec=   -10.164264    -12.099176     -2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00004791759637
                2p
                   -1 :               0.00002559258138
                   +0 :               0.00004003284248
                   +1 :              -0.00006352306344
                3s
                   +0 :              -0.00034498241151
                4s
                   +0 :               0.00009871291389
                3p
                   -1 :              -0.00012955203940
                   +0 :              -0.00025987150865
                   +1 :               0.00046757642667
                4p
                   -1 :               0.00002598850913
                   +0 :               0.00003065641259
                   +1 :              -0.00011202224446
                3d
                   -2 :              -0.00002940581124
                   -1 :               0.00002051151437
                   +0 :              -0.00000748368074
                   +1 :               0.00006455596864
                   +2 :              -0.00006002552566
             12 vec=     5.396061     14.852098     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00003838675738
                2p
                   -1 :              -0.00003112188298
                   +0 :              -0.00001608273164
                   +1 :               0.00001597608775
                3s
                   +0 :              -0.00009227696745
                4s
                   +0 :              -0.00000537230676
                3p
                   -1 :              -0.00002508156699
                   +0 :              -0.00006649079085
                   +1 :              -0.00006608770952
                4p
                   -1 :              -0.00000324051886
                   +0 :               0.00000280905040
                   +1 :               0.00003383034601
                3d
                   -2 :               0.00002592917110
                   -1 :              -0.00003525409262
                   +0 :              -0.00002342703959
                   +1 :              -0.00002130069080
                   +2 :               0.00001933657438
             13 vec=    -2.384101    -16.591055     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00001285418690
                2p
                   -1 :               0.00000181622498
                   +0 :              -0.00001131110770
                   +1 :               0.00001252585213
                3s
                   +0 :              -0.00006418051235
                4s
                   +0 :               0.00000581201859
                3p
                   -1 :              -0.00001634305754
                   +0 :               0.00000794894891
                   +1 :              -0.00004366962959
                4p
                   -1 :               0.00001059433375
                   +0 :               0.00000857876936
                   +1 :               0.00000000749825
                3d
                   -2 :               0.00002252837769
                   -1 :              -0.00000747547783
                   +0 :              -0.00001550445531
                   +1 :               0.00000096072739
                   +2 :              -0.00000637524483
             14 vec=    13.176224     10.360219     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00000205404072
                2p
                   -1 :               0.00001318992104
                   +0 :               0.00000307212719
                   +1 :              -0.00002016567358
                3s
                   +0 :              -0.00000078192704
                4s
                   +0 :              -0.00000530998386
                3p
                   -1 :              -0.00007685730504
                   +0 :              -0.00003596917356
                   +1 :               0.00010530847031
                4p
                   -1 :               0.00003196023799
                   +0 :               0.00000322766390
                   +1 :              -0.00002652475655
                3d
                   -2 :              -0.00001871989363
                   -1 :               0.00001421936026
                   +0 :               0.00001174722764
                   +1 :               0.00000583748188
                   +2 :               0.00002888199081
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al(  8)  npairs=  13
              1 vec=    -2.384101      1.376461     -9.763130   |vec|=   10.143831
                2s
                   +0 :              -0.00049021154723
                2p
                   -1 :              -0.00027263197622
                   +0 :              -0.00018236247682
                   +1 :               0.00024388808526
                3s
                   +0 :               0.00013064605495
                4s
                   +0 :              -0.00004105077653
                3p
                   -1 :               0.00139051146259
                   +0 :               0.00157605701736
                   +1 :              -0.00103347570206
                4p
                   -1 :              -0.00027817666657
                   +0 :              -0.00055914888677
                   +1 :               0.00009674333561
                3d
                   -2 :               0.00003781869950
                   -1 :               0.00034250025596
                   +0 :              -0.00015667057393
                   +1 :              -0.00046925271365
                   +2 :               0.00010001783167
              2 vec=     5.396061     -3.115418     -9.763130   |vec|=   11.581970
                2s
                   +0 :               0.00072048549665
                2p
                   -1 :               0.00006919876242
                   +0 :              -0.00018970549699
                   +1 :               0.00012237383741
                3s
                   +0 :              -0.00257542498352
                4s
                   +0 :               0.00110705768662
                3p
                   -1 :              -0.00032750008667
                   +0 :               0.00134188340077
                   +1 :              -0.00061106446473
                4p
                   -1 :               0.00012200180574
                   +0 :              -0.00047166893523
                   +1 :               0.00017293539970
                3d
                   -2 :              -0.00019772997578
                   -1 :              -0.00001889926315
                   +0 :              -0.00025415183617
                   +1 :               0.00008717315462
                   +2 :               0.00018140598066
              3 vec=    -2.384101     -7.607297     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00007589212797
                2p
                   -1 :               0.00015189033435
                   +0 :               0.00008547451830
                   +1 :               0.00018919446128
                3s
                   +0 :              -0.00157925389392
                4s
                   +0 :              -0.00001336754005
                3p
                   -1 :               0.00108491582506
                   +0 :              -0.00002668753168
                   +1 :              -0.00057788823377
                4p
                   -1 :               0.00008016492189
                   +0 :               0.00014491559287
                   +1 :               0.00026405949450
                3d
                   -2 :              -0.00000595146985
                   -1 :              -0.00013800451230
                   +0 :               0.00022169119968
                   +1 :              -0.00008652695330
                   +2 :               0.00035636060250
              4 vec=     5.396061      5.868340     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00033009097888
                2p
                   -1 :              -0.00021695981950
                   +0 :               0.00013989123685
                   +1 :              -0.00032247282491
                3s
                   +0 :              -0.00196802041473
                4s
                   +0 :              -0.00007839491894
                3p
                   -1 :              -0.00018374349158
                   +0 :               0.00027090446028
                   +1 :              -0.00127061543913
                4p
                   -1 :              -0.00017517713140
                   +0 :              -0.00004729656333
                   +1 :              -0.00017733131729
                3d
                   -2 :              -0.00045545313407
                   -1 :               0.00008731062619
                   +0 :               0.00032860662740
                   +1 :               0.00021471466298
                   +2 :              -0.00044206286014
              5 vec=   -10.164264     -3.115418     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00016738271388
                2p
                   -1 :              -0.00008026337249
                   +0 :              -0.00001695289345
                   +1 :              -0.00011883628453
                3s
                   +0 :              -0.00063782923177
                4s
                   +0 :               0.00019910769746
                3p
                   -1 :               0.00039505471240
                   +0 :               0.00008978318683
                   +1 :               0.00056836853350
                4p
                   -1 :              -0.00008107007890
                   +0 :              -0.00001621982633
                   +1 :              -0.00018331720307
                3d
                   -2 :              -0.00004990043600
                   -1 :              -0.00008941614530
                   +0 :               0.00003675313384
                   +1 :              -0.00003758578334
                   +2 :               0.00005004796640
              6 vec=    -2.384101     10.360219     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00000353725944
                2p
                   -1 :              -0.00003239883753
                   +0 :              -0.00001699415096
                   +1 :               0.00017803014845
                3s
                   +0 :              -0.00001319578278
                4s
                   +0 :              -0.00005152604405
                3p
                   -1 :               0.00021953885330
                   +0 :               0.00006584296960
                   +1 :              -0.00078654840850
                4p
                   -1 :              -0.00009368809358
                   +0 :              -0.00001458848360
                   +1 :               0.00012908849513
                3d
                   -2 :              -0.00017553291665
                   -1 :              -0.00002157551151
                   +0 :               0.00000762383851
                   +1 :               0.00012182033324
                   +2 :              -0.00002464542119
              7 vec=    -2.384101      1.376461     14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00000801494611
                2p
                   -1 :               0.00012200400413
                   +0 :               0.00001160131557
                   +1 :               0.00002534323581
                3s
                   +0 :               0.00033581266528
                4s
                   +0 :              -0.00009851712334
                3p
                   -1 :              -0.00068637157492
                   +0 :               0.00011725566288
                   +1 :              -0.00002442155312
                4p
                   -1 :               0.00016649106333
                   +0 :              -0.00006857289401
                   +1 :               0.00003999391677
                3d
                   -2 :              -0.00001738277328
                   -1 :              -0.00009086727264
                   +0 :               0.00003957473606
                   +1 :               0.00004184807316
                   +2 :              -0.00002270394556
              8 vec=   -10.164264      5.868340     -9.763130   |vec|=   15.266578
                2s
                   +0 :              -0.00018925303589
                2p
                   -1 :              -0.00006815269944
                   +0 :               0.00014662344822
                   +1 :               0.00009553259062
                3s
                   +0 :               0.00053864643333
                4s
                   +0 :              -0.00019252272003
                3p
                   -1 :               0.00029463555448
                   +0 :              -0.00062060404373
                   +1 :              -0.00031984322120
                4p
                   -1 :              -0.00013108133178
                   +0 :               0.00020259530345
                   +1 :               0.00007096134154
                3d
                   -2 :              -0.00001927422394
                   -1 :              -0.00010272165258
                   +0 :               0.00007395037932
                   +1 :               0.00026454000943
                   +2 :               0.00008977093990
              9 vec=     5.396061     -3.115418     14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00004450026682
                2p
                   -1 :               0.00002203622363
                   +0 :              -0.00001326049140
                   +1 :               0.00000970539448
                3s
                   +0 :               0.00020674193082
                4s
                   +0 :              -0.00001424560906
                3p
                   -1 :               0.00002517371648
                   +0 :              -0.00003311187717
                   +1 :              -0.00018903729752
                4p
                   -1 :              -0.00001594779755
                   +0 :               0.00003628694453
                   +1 :               0.00005534356711
                3d
                   -2 :               0.00000200562393
                   -1 :               0.00000399830153
                   +0 :               0.00000543018282
                   +1 :              -0.00005403646896
                   +2 :               0.00001840705417
             10 vec=     5.396061    -12.099176     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00007599786113
                2p
                   -1 :              -0.00005495360713
                   +0 :              -0.00000853660453
                   +1 :               0.00002123140167
                3s
                   +0 :              -0.00029390599577
                4s
                   +0 :               0.00009147388056
                3p
                   -1 :               0.00024588977232
                   +0 :               0.00002082431464
                   +1 :              -0.00013666723296
                4p
                   -1 :              -0.00006819089127
                   +0 :              -0.00000304588286
                   +1 :               0.00004985351136
                3d
                   -2 :              -0.00001795926208
                   -1 :               0.00002238630435
                   +0 :               0.00001971631638
                   +1 :               0.00002409592555
                   +2 :               0.00001866766175
             11 vec=    13.176224      1.376461     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00008869892772
                2p
                   -1 :              -0.00000478058593
                   +0 :              -0.00001290527883
                   +1 :               0.00005198218251
                3s
                   +0 :              -0.00024630098937
                4s
                   +0 :               0.00006470213960
                3p
                   -1 :               0.00002871518001
                   +0 :               0.00006400860573
                   +1 :              -0.00020998913708
                4p
                   -1 :              -0.00001776192160
                   +0 :              -0.00000772353083
                   +1 :               0.00004716487073
                3d
                   -2 :              -0.00001986546331
                   -1 :              -0.00000404058219
                   +0 :               0.00002002503516
                   +1 :               0.00001075303269
                   +2 :              -0.00004103454364
             12 vec=    -2.384101     -7.607297     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00003724098848
                2p
                   -1 :               0.00000277532303
                   +0 :               0.00000556687060
                   +1 :              -0.00000988557084
                3s
                   +0 :               0.00047472671920
                4s
                   +0 :              -0.00010729280650
                3p
                   -1 :              -0.00009440555108
                   +0 :               0.00002788201303
                   +1 :              -0.00005372363739
                4p
                   -1 :               0.00001647439151
                   +0 :              -0.00002515241022
                   +1 :               0.00001364290313
                3d
                   -2 :              -0.00000101897837
                   -1 :               0.00002417663850
                   +0 :              -0.00006048071778
                   +1 :              -0.00002732666810
                   +2 :               0.00008909830275
             13 vec=     5.396061      5.868340     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00011106157646
                2p
                   -1 :               0.00002380612525
                   +0 :              -0.00002380327995
                   +1 :              -0.00003635205569
                3s
                   +0 :               0.00066479700839
                4s
                   +0 :              -0.00018360861116
                3p
                   -1 :               0.00013958541026
                   +0 :               0.00015382142651
                   +1 :               0.00016270114718
                4p
                   -1 :              -0.00000066383182
                   +0 :              -0.00004141779927
                   +1 :              -0.00006539477984
                3d
                   -2 :               0.00004336314531
                   -1 :               0.00003018821012
                   +0 :              -0.00004730185682
                   +1 :               0.00000363327967
                   +2 :              -0.00011456249064
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al(  9)  npairs=  15
              1 vec=     2.802674      1.376461     10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00083567707256
                2p
                   -1 :               0.00014156307807
                   +0 :               0.00044055193685
                   +1 :               0.00041995126201
                3s
                   +0 :              -0.00103518306123
                4s
                   +0 :               0.00032043572721
                3p
                   -1 :              -0.00162410372067
                   +0 :              -0.00073882955821
                   +1 :              -0.00243121842604
                4p
                   -1 :               0.00042072712301
                   +0 :               0.00018829779560
                   +1 :               0.00042078940873
                3d
                   -2 :              -0.00017679436712
                   -1 :              -0.00019841807536
                   +0 :               0.00016809514275
                   +1 :              -0.00027013472816
                   +2 :              -0.00006598482495
              2 vec=    -4.977489     -3.115418     10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00006841014299
                2p
                   -1 :              -0.00011062212046
                   +0 :               0.00008685632545
                   +1 :               0.00000228612126
                3s
                   +0 :               0.00043553734039
                4s
                   +0 :              -0.00014914777833
                3p
                   -1 :               0.00074380974957
                   +0 :              -0.00037791861321
                   +1 :              -0.00044059857487
                4p
                   -1 :              -0.00003678915718
                   +0 :               0.00000669782980
                   +1 :              -0.00001759306157
                3d
                   -2 :              -0.00049184692794
                   -1 :               0.00031028975886
                   +0 :              -0.00040252382647
                   +1 :               0.00006762544430
                   +2 :               0.00000357017959
              3 vec=    -4.977489      5.868340     10.693319   |vec|=   13.174213
                2s
                   +0 :              -0.00028206805678
                2p
                   -1 :              -0.00004574220243
                   +0 :              -0.00002343771942
                   +1 :              -0.00015070156975
                3s
                   +0 :               0.00234647517053
                4s
                   +0 :              -0.00034299029800
                3p
                   -1 :               0.00098529962165
                   +0 :               0.00119184888993
                   +1 :              -0.00020179911596
                4p
                   -1 :              -0.00016460424322
                   +0 :              -0.00008009037774
                   +1 :              -0.00015432091762
                3d
                   -2 :              -0.00017678126287
                   -1 :               0.00025991080500
                   +0 :               0.00018276287562
                   +1 :              -0.00018362946369
                   +2 :               0.00005707197431
              4 vec=     2.802674     -7.607297     10.693319   |vec|=   13.419128
                2s
                   +0 :              -0.00023554015728
                2p
                   -1 :               0.00001892571704
                   +0 :               0.00001128679577
                   +1 :               0.00000239595780
                3s
                   +0 :               0.00257923676595
                4s
                   +0 :              -0.00047398089246
                3p
                   -1 :              -0.00151820256922
                   +0 :               0.00112352032636
                   +1 :               0.00008644707840
                4p
                   -1 :               0.00012563523561
                   +0 :              -0.00008816308860
                   +1 :              -0.00009541491720
                3d
                   -2 :              -0.00003382954116
                   -1 :              -0.00050779335666
                   +0 :               0.00023730714842
                   +1 :              -0.00006285604934
                   +2 :              -0.00037240711493
              5 vec=     2.802674      1.376461    -13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00001423314894
                2p
                   -1 :              -0.00010938557483
                   +0 :              -0.00001041224706
                   +1 :              -0.00003684048536
                3s
                   +0 :              -0.00024601229863
                4s
                   +0 :               0.00004471332434
                3p
                   -1 :               0.00053305924454
                   +0 :               0.00001832526484
                   +1 :               0.00025690122779
                4p
                   -1 :              -0.00010237816292
                   +0 :               0.00001791947803
                   +1 :              -0.00009124336497
                3d
                   -2 :              -0.00003478192834
                   -1 :              -0.00004228868399
                   +0 :               0.00001064076632
                   +1 :               0.00002263775004
                   +2 :              -0.00003507048660
              6 vec=    -4.977489     -3.115418    -13.854224   |vec|=   15.047283
                2s
                   +0 :               0.00009798754572
                2p
                   -1 :              -0.00003678220593
                   +0 :               0.00000234567894
                   +1 :              -0.00012245930153
                3s
                   +0 :              -0.00036199792062
                4s
                   +0 :               0.00007880812843
                3p
                   -1 :              -0.00000358423413
                   +0 :              -0.00005527144925
                   +1 :               0.00044794166965
                4p
                   -1 :               0.00005732584371
                   +0 :              -0.00000394287652
                   +1 :              -0.00012076849803
                3d
                   -2 :              -0.00005352863125
                   -1 :              -0.00000079874379
                   +0 :               0.00007471500124
                   +1 :              -0.00000273521860
                   +2 :              -0.00004954710719
              7 vec=     2.802674     10.360219     10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00002907701233
                2p
                   -1 :              -0.00000267176440
                   +0 :               0.00002201503301
                   +1 :               0.00005212451041
                3s
                   +0 :               0.00004213867308
                4s
                   +0 :               0.00001738518212
                3p
                   -1 :              -0.00008657964059
                   +0 :              -0.00018910161447
                   +1 :              -0.00026192777677
                4p
                   -1 :               0.00004270117493
                   +0 :               0.00004349771196
                   +1 :               0.00004513984649
                3d
                   -2 :              -0.00003392595625
                   -1 :              -0.00004896384123
                   +0 :               0.00003975282819
                   +1 :               0.00000200463531
                   +2 :               0.00002121641640
              8 vec=    10.582837     -3.115418     10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00010225720061
                2p
                   -1 :              -0.00002558383002
                   +0 :               0.00000372306422
                   +1 :              -0.00003373464381
                3s
                   +0 :               0.00030615901461
                4s
                   +0 :               0.00001536438631
                3p
                   -1 :               0.00019378707851
                   +0 :              -0.00010977715767
                   +1 :               0.00015540273844
                4p
                   -1 :              -0.00005694154569
                   +0 :               0.00007230022550
                   +1 :               0.00000350344518
                3d
                   -2 :               0.00006019916239
                   -1 :               0.00000079134511
                   +0 :              -0.00001072095828
                   +1 :              -0.00000888404868
                   +2 :               0.00001422947846
              9 vec=    -4.977489      5.868340    -13.854224   |vec|=   15.847786
                2s
                   +0 :               0.00008830050976
                2p
                   -1 :               0.00000725208014
                   +0 :              -0.00001552484733
                   +1 :              -0.00004090184369
                3s
                   +0 :              -0.00047452428195
                4s
                   +0 :               0.00015344781450
                3p
                   -1 :              -0.00025668314727
                   +0 :               0.00022354629290
                   +1 :               0.00024236310487
                4p
                   -1 :               0.00002557707316
                   +0 :              -0.00008724209552
                   +1 :              -0.00004570713806
                3d
                   -2 :               0.00002322627008
                   -1 :               0.00001257698867
                   +0 :              -0.00002959109944
                   +1 :              -0.00006537981977
                   +2 :               0.00002268214776
             10 vec=     2.802674     -7.607297    -13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00003681613873
                2p
                   -1 :               0.00001048980705
                   +0 :              -0.00000498320073
                   +1 :               0.00002669143845
                3s
                   +0 :              -0.00042514063281
                4s
                   +0 :               0.00011446125518
                3p
                   -1 :               0.00006272145198
                   +0 :               0.00017375936300
                   +1 :              -0.00026828652374
                4p
                   -1 :              -0.00002049029064
                   +0 :              -0.00007941309712
                   +1 :              -0.00000354282989
                3d
                   -2 :               0.00005213082257
                   -1 :               0.00002588891400
                   +0 :               0.00001322489748
                   +1 :              -0.00004307708386
                   +2 :              -0.00004337531319
             11 vec=    10.582837      5.868340     10.693319   |vec|=   16.148712
                2s
                   +0 :               0.00022292351479
                2p
                   -1 :               0.00004259515626
                   +0 :               0.00008280366014
                   +1 :               0.00007790839042
                3s
                   +0 :              -0.00076747225400
                4s
                   +0 :               0.00032641087909
                3p
                   -1 :              -0.00022016068433
                   +0 :              -0.00036929553964
                   +1 :              -0.00036500260497
                4p
                   -1 :               0.00006415966944
                   +0 :               0.00014791831916
                   +1 :               0.00009003462390
                3d
                   -2 :              -0.00003090828609
                   -1 :              -0.00002081993767
                   +0 :              -0.00002486593180
                   +1 :              -0.00005736298572
                   +2 :              -0.00002312477059
             12 vec=   -12.757651      1.376461     10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00006838411153
                2p
                   -1 :              -0.00000648420561
                   +0 :               0.00004681282355
                   +1 :              -0.00003869547706
                3s
                   +0 :              -0.00031918337368
                4s
                   +0 :               0.00010335511444
                3p
                   -1 :              -0.00003753228058
                   +0 :              -0.00033044839430
                   +1 :               0.00031245655533
                4p
                   -1 :               0.00002187364587
                   +0 :               0.00007337499994
                   +1 :              -0.00005932002112
                3d
                   -2 :              -0.00003620748632
                   -1 :               0.00000044759740
                   +0 :              -0.00004669749512
                   +1 :               0.00008571200413
                   +2 :              -0.00005916951436
             13 vec=    -4.977489    -12.099176     10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00003311232493
                2p
                   -1 :              -0.00000669876045
                   +0 :              -0.00000756011888
                   +1 :              -0.00000830369514
                3s
                   +0 :               0.00009270980630
                4s
                   +0 :              -0.00000658972567
                3p
                   -1 :               0.00011438733282
                   +0 :               0.00004092514417
                   +1 :               0.00007483792941
                4p
                   -1 :              -0.00003764464395
                   +0 :               0.00000371412803
                   +1 :              -0.00002968674988
                3d
                   -2 :              -0.00001026322588
                   -1 :              -0.00000398262042
                   +0 :               0.00001765101093
                   +1 :               0.00002787331502
                   +2 :               0.00002459245647
             14 vec=     2.802674     10.360219    -13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00000465003362
                2p
                   -1 :              -0.00001425204130
                   +0 :               0.00000877544356
                   +1 :              -0.00000224309741
                3s
                   +0 :              -0.00030615907169
                4s
                   +0 :               0.00002703808534
                3p
                   -1 :              -0.00020243969758
                   +0 :               0.00005339313406
                   +1 :               0.00001532460020
                4p
                   -1 :              -0.00000630805240
                   +0 :              -0.00000706489457
                   +1 :              -0.00000533674791
                3d
                   -2 :              -0.00001198135636
                   -1 :               0.00003621862845
                   +0 :               0.00005545517715
                   +1 :              -0.00000318511427
                   +2 :               0.00007460685314
             15 vec=    10.582837     -3.115418    -13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00002929910392
                2p
                   -1 :              -0.00000576276158
                   +0 :              -0.00001361567615
                   +1 :               0.00000400649760
                3s
                   +0 :              -0.00023910237305
                4s
                   +0 :               0.00003981436840
                3p
                   -1 :              -0.00000579546942
                   +0 :               0.00010547345856
                   +1 :              -0.00014652316613
                4p
                   -1 :              -0.00000137498090
                   +0 :              -0.00003261077797
                   +1 :               0.00000433465458
                3d
                   -2 :              -0.00001093314814
                   -1 :               0.00000454302556
                   +0 :               0.00002208598066
                   +1 :               0.00001764525027
                   +2 :              -0.00003711089886
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al( 10)  npairs=  13
              1 vec=     2.802674      1.376461     -6.601898   |vec|=    7.303060
                2s
                   +0 :               0.00162617234649
                2p
                   -1 :               0.00045662797957
                   +0 :              -0.00127573416115
                   +1 :               0.00095739828316
                3s
                   +0 :              -0.00627987977275
                4s
                   +0 :               0.00242610930316
                3p
                   -1 :              -0.00022228126579
                   +0 :              -0.00041814154508
                   +1 :              -0.00142083137910
                4p
                   -1 :               0.00024878827470
                   +0 :              -0.00172226499808
                   +1 :               0.00019924328101
                3d
                   -2 :               0.00314202768779
                   -1 :              -0.00119717806330
                   +0 :               0.00260372937232
                   +1 :              -0.00229456133417
                   +2 :               0.00112507887372
              2 vec=    -4.977489     -3.115418     -6.601898   |vec|=    8.835512
                2s
                   +0 :               0.00124595554520
                2p
                   -1 :               0.00032938539103
                   +0 :               0.00011074352400
                   +1 :              -0.00008364150580
                3s
                   +0 :              -0.01612930985468
                4s
                   +0 :               0.00036427907784
                3p
                   -1 :               0.00308961600309
                   +0 :               0.00817403805353
                   +1 :               0.00958317484039
                4p
                   -1 :               0.00077659473622
                   +0 :               0.00052692159895
                   +1 :               0.00001524402626
                3d
                   -2 :              -0.00223552499044
                   -1 :              -0.00187300854509
                   +0 :              -0.00067480325132
                   +1 :              -0.00388749358224
                   +2 :              -0.00180940271659
              3 vec=    -4.977489      5.868340     -6.601898   |vec|=   10.138928
                2s
                   +0 :              -0.00062954492437
                2p
                   -1 :              -0.00018563762046
                   +0 :               0.00038277008859
                   +1 :              -0.00073687723834
                3s
                   +0 :              -0.00080756838541
                4s
                   +0 :               0.00106577437037
                3p
                   -1 :              -0.00068271891346
                   +0 :              -0.00112820689023
                   +1 :               0.00426787814718
                4p
                   -1 :               0.00054609458880
                   +0 :              -0.00025878410115
                   +1 :              -0.00134520726806
                3d
                   -2 :               0.00137084970671
                   -1 :              -0.00013568170198
                   +0 :              -0.00038366326433
                   +1 :              -0.00031320555005
                   +2 :              -0.00016171977653
              4 vec=     2.802674     -7.607297     -6.601898   |vec|=   10.455190
                2s
                   +0 :               0.00038116911413
                2p
                   -1 :              -0.00015546013944
                   +0 :              -0.00002873319261
                   +1 :              -0.00000359953969
                3s
                   +0 :              -0.00211448655842
                4s
                   +0 :               0.00072836573424
                3p
                   -1 :               0.00162051318410
                   +0 :              -0.00016188489091
                   +1 :              -0.00050862133902
                4p
                   -1 :              -0.00058683746221
                   +0 :               0.00006775442923
                   +1 :               0.00016995919843
                3d
                   -2 :               0.00033100710944
                   -1 :              -0.00017719789349
                   +0 :              -0.00026276758061
                   +1 :              -0.00003657742421
                   +2 :               0.00023224232672
              5 vec=     2.802674     10.360219     -6.601898   |vec|=   12.600563
                2s
                   +0 :               0.00027629534710
                2p
                   -1 :               0.00006255346981
                   +0 :              -0.00011385801363
                   +1 :              -0.00003013447847
                3s
                   +0 :              -0.00076159214856
                4s
                   +0 :               0.00002873170771
                3p
                   -1 :               0.00010998726859
                   +0 :               0.00071172832366
                   +1 :               0.00042499835318
                4p
                   -1 :              -0.00015814398300
                   +0 :              -0.00007004256410
                   +1 :              -0.00016843924433
                3d
                   -2 :               0.00018227120959
                   -1 :               0.00020475933044
                   +0 :              -0.00027532898611
                   +1 :              -0.00007869128652
                   +2 :              -0.00010668934320
              6 vec=    10.582837     -3.115418     -6.601898   |vec|=   12.856411
                2s
                   +0 :              -0.00044126359155
                2p
                   -1 :               0.00003139168570
                   +0 :               0.00012880703184
                   +1 :              -0.00020985780836
                3s
                   +0 :               0.00142528210754
                4s
                   +0 :              -0.00047814061504
                3p
                   -1 :              -0.00005196664486
                   +0 :              -0.00057235542441
                   +1 :               0.00120912112630
                4p
                   -1 :               0.00003739020318
                   +0 :               0.00017675481936
                   +1 :              -0.00021544756606
                3d
                   -2 :              -0.00005167745663
                   -1 :               0.00006339425829
                   +0 :              -0.00004225226369
                   +1 :              -0.00016067408462
                   +2 :               0.00011736566349
              7 vec=    10.582837      5.868340     -6.601898   |vec|=   13.784734
                2s
                   +0 :              -0.00008053491075
                2p
                   -1 :              -0.00000283215761
                   +0 :               0.00009358980976
                   +1 :               0.00004624762503
                3s
                   +0 :               0.00006000292686
                4s
                   +0 :              -0.00012252038439
                3p
                   -1 :               0.00002825630460
                   +0 :              -0.00049633664429
                   +1 :              -0.00039575640063
                4p
                   -1 :              -0.00007734357726
                   +0 :               0.00009561697605
                   +1 :               0.00006446868903
                3d
                   -2 :              -0.00008414732285
                   -1 :              -0.00001744210713
                   +0 :              -0.00000449552233
                   +1 :              -0.00007343854047
                   +2 :              -0.00006969907368
              8 vec=   -12.757651      1.376461     -6.601898   |vec|=   14.430432
                2s
                   +0 :              -0.00007662637278
                2p
                   -1 :               0.00001644256536
                   +0 :              -0.00003633454086
                   +1 :               0.00001984648909
                3s
                   +0 :               0.00023010146021
                4s
                   +0 :              -0.00012150203869
                3p
                   -1 :              -0.00021312121904
                   +0 :               0.00009843088684
                   +1 :              -0.00000228229249
                4p
                   -1 :               0.00003507579167
                   +0 :               0.00004472891305
                   +1 :              -0.00001756627141
                3d
                   -2 :               0.00010650336414
                   -1 :              -0.00001205982894
                   +0 :               0.00007396174112
                   +1 :              -0.00002839224997
                   +2 :              -0.00004156815708
              9 vec=    -4.977489    -12.099176     -6.601898   |vec|=   14.654368
                2s
                   +0 :              -0.00004939085961
                2p
                   -1 :               0.00003597278876
                   +0 :               0.00000114284239
                   +1 :              -0.00000380777818
                3s
                   +0 :               0.00004380685216
                4s
                   +0 :               0.00008476617009
                3p
                   -1 :              -0.00015152751209
                   +0 :               0.00005711852372
                   +1 :              -0.00007545795702
                4p
                   -1 :              -0.00001326980223
                   +0 :              -0.00003110602678
                   +1 :               0.00002824412775
                3d
                   -2 :               0.00001294885681
                   -1 :              -0.00002426698213
                   +0 :              -0.00000598837818
                   +1 :               0.00001805560926
                   +2 :              -0.00004833798312
             10 vec=   -12.757651     -7.607297     -6.601898   |vec|=   16.254651
                2s
                   +0 :               0.00009008175851
                2p
                   -1 :              -0.00002156883082
                   +0 :              -0.00004409977802
                   +1 :              -0.00001266029061
                3s
                   +0 :              -0.00032481042888
                4s
                   +0 :               0.00006880037649
                3p
                   -1 :               0.00015193996496
                   +0 :               0.00022317944677
                   +1 :               0.00000081066666
                4p
                   -1 :              -0.00003586599453
                   +0 :              -0.00005411191932
                   +1 :               0.00003608806456
                3d
                   -2 :              -0.00002105469494
                   -1 :              -0.00000795764003
                   +0 :              -0.00003868555089
                   +1 :              -0.00003456126476
                   +2 :               0.00000616405916
             11 vec=    -4.977489     14.852098     -6.601898   |vec|=   16.998390
                2s
                   +0 :               0.00002261260402
                2p
                   -1 :               0.00000135164299
                   +0 :               0.00001991017405
                   +1 :              -0.00000143819421
                3s
                   +0 :              -0.00001022220964
                4s
                   +0 :              -0.00004733950000
                3p
                   -1 :               0.00003204784520
                   +0 :              -0.00012472471270
                   +1 :               0.00004469015472
                4p
                   -1 :              -0.00003865855507
                   +0 :               0.00003398941499
                   +1 :              -0.00001151049290
                3d
                   -2 :               0.00003318334361
                   -1 :              -0.00003241450513
                   +0 :               0.00001833105247
                   +1 :               0.00001471663208
                   +2 :               0.00000902645683
             12 vec=    10.582837    -12.099176     -6.601898   |vec|=   17.377328
                2s
                   +0 :               0.00001408619880
                2p
                   -1 :               0.00002151360657
                   +0 :              -0.00003766495790
                   +1 :               0.00001371457839
                3s
                   +0 :              -0.00008723827100
                4s
                   +0 :               0.00001042335640
                3p
                   -1 :              -0.00011633777552
                   +0 :               0.00019410329700
                   +1 :              -0.00008521319369
                4p
                   -1 :               0.00003714673936
                   +0 :              -0.00003651132279
                   +1 :               0.00000882013555
                3d
                   -2 :              -0.00000888292088
                   -1 :              -0.00003430441511
                   +0 :              -0.00003439734272
                   +1 :               0.00002304221191
                   +2 :              -0.00003294100688
             13 vec=   -12.757651     10.360219     -6.601898   |vec|=   17.710925
                2s
                   +0 :               0.00002204365181
                2p
                   -1 :              -0.00001626621382
                   +0 :               0.00002743592302
                   +1 :              -0.00002846755610
                3s
                   +0 :              -0.00015923803809
                4s
                   +0 :               0.00010354657084
                3p
                   -1 :               0.00007419744384
                   +0 :              -0.00010152357986
                   +1 :               0.00020135935302
                4p
                   -1 :              -0.00001143645254
                   +0 :               0.00000849081959
                   +1 :              -0.00008389572540
                3d
                   -2 :               0.00001401500864
                   -1 :              -0.00001539633947
                   +0 :              -0.00001755741321
                   +1 :               0.00003296517654
                   +2 :              -0.00002582787770
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al( 11)  npairs=  14
              1 vec=     2.802674      1.376461      5.671873   |vec|=    6.474548
                2s
                   +0 :              -0.00461962850193
                2p
                   -1 :              -0.00077893744901
                   +0 :              -0.00285203077077
                   +1 :              -0.00214378813590
                3s
                   +0 :               0.01159560862778
                4s
                   +0 :              -0.00747989777101
                3p
                   -1 :               0.00328457370291
                   +0 :               0.01197638576877
                   +1 :               0.00702365212582
                4p
                   -1 :              -0.00179520985396
                   +0 :              -0.00554414669982
                   +1 :              -0.00348292786584
                3d
                   -2 :              -0.00091905277009
                   -1 :               0.00049440453853
                   +0 :               0.00204841323126
                   +1 :               0.00077293942977
                   +2 :              -0.00116922902705
              2 vec=    -4.977489     -3.115418      5.671873   |vec|=    8.164029
                2s
                   +0 :               0.00133895987967
                2p
                   -1 :              -0.00079700634147
                   +0 :               0.00048383156487
                   +1 :              -0.00096649975622
                3s
                   +0 :               0.00969180221030
                4s
                   +0 :               0.00150277060435
                3p
                   -1 :               0.00064241343396
                   +0 :               0.00032857710027
                   +1 :              -0.00808983264156
                4p
                   -1 :              -0.00173277500608
                   +0 :               0.00040401952364
                   +1 :              -0.00076330920771
                3d
                   -2 :               0.00202725235041
                   -1 :               0.00010495705614
                   +0 :              -0.00210996604473
                   +1 :              -0.00067679154820
                   +2 :               0.00288798950072
              3 vec=    -4.977489      5.868340      5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00046169713760
                2p
                   -1 :               0.00016311769898
                   +0 :               0.00011540705756
                   +1 :               0.00106139325515
                3s
                   +0 :              -0.00079740852670
                4s
                   +0 :               0.00017288869482
                3p
                   -1 :              -0.00100918792360
                   +0 :              -0.00064674304704
                   +1 :              -0.00478564405552
                4p
                   -1 :               0.00017930775903
                   +0 :               0.00026388347912
                   +1 :               0.00104463782132
                3d
                   -2 :              -0.00103188796698
                   -1 :               0.00018815052891
                   +0 :               0.00018772350592
                   +1 :              -0.00092444936103
                   +2 :              -0.00019779462587
              4 vec=     2.802674     -7.607297      5.671873   |vec|=    9.894245
                2s
                   +0 :              -0.00005207118156
                2p
                   -1 :              -0.00028396833671
                   +0 :              -0.00036575954448
                   +1 :               0.00014655891096
                3s
                   +0 :               0.00002217084746
                4s
                   +0 :               0.00016815919933
                3p
                   -1 :               0.00129490367850
                   +0 :               0.00230738353957
                   +1 :              -0.00081396557342
                4p
                   -1 :              -0.00070348119794
                   +0 :              -0.00063062710452
                   +1 :               0.00020853115305
                3d
                   -2 :               0.00029541173053
                   -1 :              -0.00039313906244
                   +0 :               0.00021765578605
                   +1 :               0.00014231195604
                   +2 :              -0.00032218588899
              5 vec=     2.802674     10.360219      5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00038827155913
                2p
                   -1 :               0.00024577307788
                   +0 :               0.00015045084526
                   +1 :              -0.00009211017771
                3s
                   +0 :              -0.00071013972539
                4s
                   +0 :               0.00040109614473
                3p
                   -1 :              -0.00102531173292
                   +0 :               0.00003159820561
                   +1 :               0.00005109619424
                4p
                   -1 :               0.00031995100208
                   +0 :               0.00011502520281
                   +1 :              -0.00008523272736
                3d
                   -2 :              -0.00009790259813
                   -1 :               0.00003477985250
                   +0 :               0.00025295877284
                   +1 :              -0.00004276247691
                   +2 :               0.00009266530792
              6 vec=    10.582837     -3.115418      5.671873   |vec|=   12.404532
                2s
                   +0 :               0.00048910368999
                2p
                   -1 :              -0.00015767284365
                   +0 :               0.00018739794869
                   +1 :               0.00025107304629
                3s
                   +0 :              -0.00130530177592
                4s
                   +0 :               0.00025710385092
                3p
                   -1 :               0.00063049818612
                   +0 :              -0.00069534941612
                   +1 :              -0.00121605632197
                4p
                   -1 :              -0.00018046971017
                   +0 :               0.00013807049271
                   +1 :               0.00010414104994
                3d
                   -2 :               0.00027587612770
                   -1 :               0.00014412983204
                   +0 :               0.00011063654824
                   +1 :              -0.00041960085478
                   +2 :              -0.00028549840519
              7 vec=    10.582837      5.868340      5.671873   |vec|=   13.364281
                2s
                   +0 :              -0.00017936945936
                2p
                   -1 :              -0.00013405771292
                   +0 :              -0.00002268534683
                   +1 :              -0.00005896307396
                3s
                   +0 :               0.00094597673604
                4s
                   +0 :              -0.00022988667360
                3p
                   -1 :               0.00073514486267
                   +0 :              -0.00002940340523
                   +1 :               0.00043014189433
                4p
                   -1 :              -0.00016181177540
                   +0 :               0.00006900576032
                   +1 :              -0.00010318893251
                3d
                   -2 :               0.00015148722166
                   -1 :               0.00005974304811
                   +0 :               0.00003127204744
                   +1 :               0.00000497729510
                   +2 :              -0.00013086077535
              8 vec=   -12.757651      1.376461      5.671873   |vec|=   14.029343
                2s
                   +0 :               0.00042145595356
                2p
                   -1 :              -0.00018084283994
                   +0 :               0.00005229557828
                   +1 :              -0.00024891956989
                3s
                   +0 :              -0.00104951069115
                4s
                   +0 :               0.00022223446883
                3p
                   -1 :               0.00085978621678
                   +0 :              -0.00022996119376
                   +1 :               0.00085092584650
                4p
                   -1 :              -0.00019096324410
                   +0 :               0.00005646020595
                   +1 :              -0.00006653455873
                3d
                   -2 :              -0.00019383895907
                   -1 :               0.00009227741309
                   +0 :               0.00010151996969
                   +1 :               0.00015611228410
                   +2 :              -0.00016132874113
              9 vec=    -4.977489    -12.099176      5.671873   |vec|=   14.259579
                2s
                   +0 :               0.00000904606950
                2p
                   -1 :               0.00006298517216
                   +0 :               0.00001531055228
                   +1 :              -0.00002872423537
                3s
                   +0 :              -0.00005161872252
                4s
                   +0 :               0.00009247225845
                3p
                   -1 :              -0.00027349397191
                   +0 :              -0.00022258139144
                   +1 :               0.00022872972742
                4p
                   -1 :               0.00000244450049
                   +0 :               0.00007367359972
                   +1 :              -0.00004598796079
                3d
                   -2 :               0.00008146118713
                   -1 :              -0.00004116199947
                   +0 :               0.00001764645640
                   +1 :               0.00003981640390
                   +2 :              -0.00010967817752
             10 vec=   -12.757651     -7.607297      5.671873   |vec|=   15.899647
                2s
                   +0 :               0.00007779059360
                2p
                   -1 :              -0.00001399243636
                   +0 :              -0.00000237867737
                   +1 :              -0.00000914551678
                3s
                   +0 :              -0.00018872494131
                4s
                   +0 :               0.00005341002853
                3p
                   -1 :              -0.00001071431218
                   +0 :               0.00001095419757
                   +1 :               0.00005434659053
                4p
                   -1 :               0.00001184126273
                   +0 :              -0.00002109596658
                   +1 :              -0.00000956388731
                3d
                   -2 :              -0.00000217833148
                   -1 :               0.00000048355654
                   +0 :              -0.00002468249941
                   +1 :               0.00003352824759
                   +2 :              -0.00002047558048
             11 vec=    -4.977489     14.852098      5.671873   |vec|=   16.659243
                2s
                   +0 :              -0.00004692172986
                2p
                   -1 :               0.00000313304251
                   +0 :              -0.00000003894503
                   +1 :              -0.00002509642740
                3s
                   +0 :               0.00024875377609
                4s
                   +0 :              -0.00003486526613
                3p
                   -1 :               0.00006271650489
                   +0 :               0.00008612374489
                   +1 :               0.00019507042774
                4p
                   -1 :               0.00000514056827
                   +0 :              -0.00001282371103
                   +1 :              -0.00005250582770
                3d
                   -2 :               0.00004711112431
                   -1 :               0.00003750923624
                   +0 :               0.00000798324156
                   +1 :               0.00005536763465
                   +2 :               0.00000560692107
             12 vec=    10.582837    -12.099176      5.671873   |vec|=   17.045722
                2s
                   +0 :               0.00003177331394
                2p
                   -1 :              -0.00002750183052
                   +0 :               0.00000917866701
                   +1 :               0.00003966196255
                3s
                   +0 :               0.00000752426617
                4s
                   +0 :               0.00005474303640
                3p
                   -1 :               0.00013566558130
                   +0 :               0.00005574150902
                   +1 :              -0.00009625686536
                4p
                   -1 :              -0.00004811091321
                   +0 :              -0.00000505431496
                   +1 :               0.00004321819547
                3d
                   -2 :               0.00004739918934
                   -1 :               0.00001138512762
                   +0 :               0.00002782847081
                   +1 :              -0.00000025836296
                   +2 :               0.00001573709851
             13 vec=   -12.757651     10.360219      5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00000328790084
                2p
                   -1 :              -0.00000309329917
                   +0 :               0.00000354735051
                   +1 :               0.00003103426005
                3s
                   +0 :               0.00008105646890
                4s
                   +0 :              -0.00006470566480
                3p
                   -1 :               0.00004579149786
                   +0 :               0.00004046357343
                   +1 :              -0.00021951482250
                4p
                   -1 :              -0.00003593737342
                   +0 :              -0.00003091381739
                   +1 :               0.00008154025562
                3d
                   -2 :              -0.00001948773628
                   -1 :               0.00000617416934
                   +0 :               0.00002716418028
                   +1 :              -0.00001977527193
                   +2 :               0.00005099871135
             14 vec=     2.802674    -16.591055      5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00001073714300
                2p
                   -1 :              -0.00002346252964
                   +0 :               0.00000022663605
                   +1 :              -0.00000819495147
                3s
                   +0 :              -0.00003374386627
                4s
                   +0 :               0.00003122457398
                3p
                   -1 :               0.00012244102762
                   +0 :              -0.00002115358938
                   +1 :               0.00005141667502
                4p
                   -1 :              -0.00004063262890
                   +0 :               0.00001361095766
                   +1 :              -0.00002235004143
                3d
                   -2 :               0.00000128311215
                   -1 :               0.00002001603742
                   +0 :               0.00000278440507
                   +1 :              -0.00000524463451
                   +2 :               0.00001673594383
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site Al( 12)  npairs=  14
              1 vec=     2.802674      1.376461     -1.580453   |vec|=    3.499637
                2s
                   +0 :              -0.02249877285903
                2p
                   -1 :              -0.01078828505537
                   +0 :               0.00425558376278
                   +1 :              -0.01940735143763
                3s
                   +0 :              -0.03272881499088
                4s
                   +0 :              -0.00939954434462
                3p
                   -1 :              -0.02268436663650
                   +0 :              -0.01448172490772
                   +1 :              -0.05396836103582
                4p
                   -1 :              -0.00628161955667
                   +0 :               0.00308805030834
                   +1 :              -0.00732998085316
                3d
                   -2 :              -0.03049392655806
                   -1 :               0.00135540612203
                   +0 :               0.03079190382859
                   +1 :               0.00074601763168
                   +2 :              -0.02196441211500
              2 vec=    -4.977489     -3.115418     -1.580453   |vec|=    6.081040
                2s
                   +0 :               0.00176297076766
                2p
                   -1 :              -0.00080156452601
                   +0 :               0.00035516456698
                   +1 :              -0.00121555056416
                3s
                   +0 :              -0.00372296558067
                4s
                   +0 :               0.00357190224486
                3p
                   -1 :               0.00071131611426
                   +0 :               0.00141411716000
                   +1 :               0.00625094898076
                4p
                   -1 :              -0.00058829567058
                   +0 :               0.00049608397210
                   +1 :              -0.00201676513975
                3d
                   -2 :              -0.00174432334398
                   -1 :              -0.00090133978618
                   +0 :              -0.00016705958353
                   +1 :              -0.00142479172656
                   +2 :              -0.00205127835420
              3 vec=    -4.977489      5.868340     -1.580453   |vec|=    7.855612
                2s
                   +0 :              -0.00017768007597
                2p
                   -1 :               0.00045426845465
                   +0 :              -0.00020700075427
                   +1 :               0.00062789451199
                3s
                   +0 :               0.00580178252953
                4s
                   +0 :              -0.00090152612264
                3p
                   -1 :               0.00136862566273
                   +0 :               0.00145734447896
                   +1 :              -0.00810536151211
                4p
                   -1 :               0.00030236062774
                   +0 :              -0.00105138892751
                   +1 :               0.00112999806821
                3d
                   -2 :              -0.00123905229997
                   -1 :              -0.00010485861006
                   +0 :              -0.00115724268638
                   +1 :               0.00080721721872
                   +2 :               0.00176989451190
              4 vec=     2.802674     -7.607297     -1.580453   |vec|=    8.259768
                2s
                   +0 :               0.00048264648239
                2p
                   -1 :              -0.00057788336233
                   +0 :               0.00020847835167
                   +1 :               0.00079473295069
                3s
                   +0 :              -0.00205518292699
                4s
                   +0 :               0.00080368698989
                3p
                   -1 :               0.00207385824907
                   +0 :              -0.00092107029110
                   +1 :              -0.00394266944656
                4p
                   -1 :              -0.00067192676585
                   +0 :               0.00023883262167
                   +1 :               0.00126220350812
                3d
                   -2 :               0.00083423620051
                   -1 :               0.00021888269959
                   +0 :              -0.00002433762763
                   +1 :               0.00075820976951
                   +2 :               0.00001577098154
              5 vec=     2.802674     10.360219     -1.580453   |vec|=   10.848362
                2s
                   +0 :              -0.00011335684518
                2p
                   -1 :               0.00001212704869
                   +0 :               0.00009492224428
                   +1 :              -0.00004652062399
                3s
                   +0 :              -0.00051881376756
                4s
                   +0 :               0.00008702634802
                3p
                   -1 :              -0.00102975070496
                   +0 :              -0.00127428088648
                   +1 :               0.00031379918239
                4p
                   -1 :               0.00032961553855
                   +0 :               0.00016975978356
                   +1 :              -0.00002546766201
                3d
                   -2 :               0.00007286488392
                   -1 :              -0.00026720567356
                   +0 :              -0.00017227781928
                   +1 :              -0.00017010244918
                   +2 :               0.00013964865993
              6 vec=    10.582837     -3.115418     -1.580453   |vec|=   11.144509
                2s
                   +0 :              -0.00000591707547
                2p
                   -1 :              -0.00005439692672
                   +0 :              -0.00000149136957
                   +1 :               0.00000179541889
                3s
                   +0 :              -0.00108413039168
                4s
                   +0 :               0.00034619595221
                3p
                   -1 :               0.00055875732092
                   +0 :              -0.00057377825827
                   +1 :              -0.00065677186842
                4p
                   -1 :              -0.00012264760611
                   +0 :               0.00007555450348
                   +1 :               0.00022972786896
                3d
                   -2 :               0.00022109403376
                   -1 :               0.00022665333379
                   +0 :              -0.00025666092589
                   +1 :              -0.00013984761412
                   +2 :               0.00014117263809
              7 vec=    10.582837      5.868340     -1.580453   |vec|=   12.203757
                2s
                   +0 :               0.00017223263441
                2p
                   -1 :              -0.00003712573542
                   +0 :              -0.00022378576380
                   +1 :               0.00011853328706
                3s
                   +0 :              -0.00043688343010
                4s
                   +0 :              -0.00003700033095
                3p
                   -1 :               0.00022746943509
                   +0 :               0.00103334690090
                   +1 :              -0.00055116415895
                4p
                   -1 :              -0.00006837976264
                   +0 :              -0.00025167855507
                   +1 :               0.00001626587450
                3d
                   -2 :              -0.00000716286514
                   -1 :               0.00000140151745
                   +0 :              -0.00006206717751
                   +1 :               0.00012552306118
                   +2 :              -0.00010858956245
              8 vec=   -12.757651      1.376461     -1.580453   |vec|=   12.928656
                2s
                   +0 :               0.00006535122300
                2p
                   -1 :              -0.00019457219960
                   +0 :               0.00021339185096
                   +1 :               0.00004353692524
                3s
                   +0 :              -0.00048606945672
                4s
                   +0 :               0.00027782299967
                3p
                   -1 :               0.00093153879279
                   +0 :              -0.00093517658532
                   +1 :              -0.00010156510140
                4p
                   -1 :              -0.00023623813357
                   +0 :               0.00022500261881
                   +1 :              -0.00005541596011
                3d
                   -2 :              -0.00022595709313
                   -1 :               0.00001689003736
                   +0 :              -0.00010268879386
                   +1 :               0.00020661113076
                   +2 :               0.00021406910096
              9 vec=    -4.977489    -12.099176     -1.580453   |vec|=   13.178136
                2s
                   +0 :              -0.00022213874410
                2p
                   -1 :               0.00015243304244
                   +0 :               0.00001122103762
                   +1 :              -0.00003263984497
                3s
                   +0 :               0.00053938845872
                4s
                   +0 :              -0.00025142093492
                3p
                   -1 :              -0.00061354980430
                   +0 :               0.00025777183564
                   +1 :               0.00012778425246
                4p
                   -1 :               0.00016168651310
                   +0 :              -0.00004504800604
                   +1 :              -0.00006562361707
                3d
                   -2 :              -0.00001409658397
                   -1 :               0.00002229950571
                   +0 :              -0.00009192257257
                   +1 :               0.00003617028643
                   +2 :              -0.00007765482402
             10 vec=   -12.757651     -7.607297     -1.580453   |vec|=   14.937418
                2s
                   +0 :              -0.00004671361816
                2p
                   -1 :               0.00001215605707
                   +0 :               0.00001827336556
                   +1 :              -0.00000287634479
                3s
                   +0 :               0.00018047679870
                4s
                   +0 :              -0.00008059416999
                3p
                   -1 :              -0.00015388903279
                   +0 :               0.00002547555138
                   +1 :              -0.00005025814042
                4p
                   -1 :               0.00006719046340
                   +0 :              -0.00001419883097
                   +1 :               0.00002109395337
                3d
                   -2 :               0.00003163300928
                   -1 :              -0.00002631849541
                   +0 :              -0.00005737771400
                   +1 :              -0.00004959730939
                   +2 :              -0.00004387945778
             11 vec=    -4.977489     14.852098     -1.580453   |vec|=   15.743508
                2s
                   +0 :               0.00001242532424
                2p
                   -1 :              -0.00001452421132
                   +0 :              -0.00000943115792
                   +1 :              -0.00003126039659
                3s
                   +0 :              -0.00007291319383
                4s
                   +0 :               0.00003704242908
                3p
                   -1 :               0.00006200862028
                   +0 :              -0.00006454559461
                   +1 :               0.00017301038323
                4p
                   -1 :              -0.00001538540565
                   +0 :               0.00004898491228
                   +1 :              -0.00007118425399
                3d
                   -2 :              -0.00004125151804
                   -1 :              -0.00000920489947
                   +0 :              -0.00000501832242
                   +1 :               0.00001438993418
                   +2 :              -0.00004139462691
             12 vec=    10.582837    -12.099176     -1.580453   |vec|=   16.151913
                2s
                   +0 :               0.00001005620890
                2p
                   -1 :               0.00000650612448
                   +0 :               0.00001141035976
                   +1 :               0.00000329334271
                3s
                   +0 :              -0.00008516864314
                4s
                   +0 :               0.00002284878449
                3p
                   -1 :              -0.00003642660953
                   +0 :              -0.00008575429827
                   +1 :              -0.00007212125135
                4p
                   -1 :               0.00000655468167
                   +0 :               0.00000243008891
                   +1 :               0.00001607440892
                3d
                   -2 :               0.00001677396441
                   -1 :               0.00001252243984
                   +0 :              -0.00003534148542
                   +1 :              -0.00001343230239
                   +2 :              -0.00001256128210
             13 vec=   -12.757651     10.360219     -1.580453   |vec|=   16.510289
                2s
                   +0 :              -0.00002420203650
                2p
                   -1 :              -0.00000483375497
                   +0 :               0.00000194962766
                   +1 :               0.00002534032486
                3s
                   +0 :               0.00019243675648
                4s
                   +0 :              -0.00012209627733
                3p
                   -1 :               0.00012041349697
                   +0 :               0.00000076863665
                   +1 :              -0.00019012687192
                4p
                   -1 :              -0.00007073609742
                   +0 :              -0.00000206291319
                   +1 :               0.00006529410330
                3d
                   -2 :              -0.00002942243645
                   -1 :              -0.00001424944054
                   +0 :               0.00002014465303
                   +1 :              -0.00000609366304
                   +2 :               0.00001779786792
             14 vec=     2.802674    -16.591055     -1.580453   |vec|=   16.900175
                2s
                   +0 :               0.00002267204143
                2p
                   -1 :               0.00002030781688
                   +0 :               0.00001247475876
                   +1 :              -0.00001737463514
                3s
                   +0 :              -0.00013731794832
                4s
                   +0 :               0.00005391405165
                3p
                   -1 :              -0.00006371635997
                   +0 :              -0.00005286399736
                   +1 :               0.00009814707172
                4p
                   -1 :               0.00000445851151
                   +0 :               0.00000766178733
                   +1 :              -0.00003050322040
                3d
                   -2 :              -0.00001357882663
                   -1 :               0.00000169530777
                   +0 :              -0.00001959244542
                   +1 :              -0.00002847215225
                   +2 :              -0.00003469991938
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 13)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00016063166327
                2s
                   +0 :              -0.00131590401644
                3s
                   +0 :              -0.00013482883060
                2p
                   -1 :               0.00073908004775
                   +0 :               0.00046515296328
                   +1 :               0.00206374294701
                3p
                   -1 :               0.00083692330757
                   +0 :               0.00108665616263
                   +1 :              -0.00115352932244
                3d
                   -2 :              -0.00004703075625
                   -1 :              -0.00025950521163
                   +0 :              -0.00005861263082
                   +1 :              -0.00000882072559
                   +2 :               0.00004260469461
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00054099779890
                2s
                   +0 :              -0.00519180906817
                3s
                   +0 :               0.00083627870859
                2p
                   -1 :              -0.00163250880466
                   +0 :               0.00768914604242
                   +1 :              -0.00408181492146
                3p
                   -1 :               0.00001232489295
                   +0 :              -0.00135207857406
                   +1 :               0.00077583894371
                3d
                   -2 :              -0.00013855129857
                   -1 :               0.00013799836072
                   +0 :              -0.00015234683366
                   +1 :               0.00027865696347
                   +2 :              -0.00015319074961
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00023252016588
                2s
                   +0 :              -0.00226164796279
                3s
                   +0 :               0.00036643495489
                2p
                   -1 :              -0.00240493997699
                   +0 :               0.00304400648934
                   +1 :               0.00193509303495
                3p
                   -1 :               0.00001678580907
                   +0 :              -0.00066158179058
                   +1 :              -0.00004383932706
                3d
                   -2 :               0.00008815162723
                   -1 :               0.00012677594972
                   +0 :               0.00001652476998
                   +1 :              -0.00006896598319
                   +2 :               0.00002751222236
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00000119702238
                2s
                   +0 :              -0.00027795465212
                3s
                   +0 :              -0.00000841856036
                2p
                   -1 :               0.00035079543246
                   +0 :              -0.00037717915359
                   +1 :               0.00003216397071
                3p
                   -1 :              -0.00020538841333
                   +0 :               0.00015626132271
                   +1 :              -0.00012465711887
                3d
                   -2 :              -0.00000108227086
                   -1 :               0.00002340123187
                   +0 :               0.00002785765012
                   +1 :              -0.00000999914518
                   +2 :              -0.00002311373585
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000841041359
                2s
                   +0 :              -0.00012173360358
                3s
                   +0 :              -0.00007158486878
                2p
                   -1 :               0.00004636535109
                   +0 :              -0.00040964111664
                   +1 :               0.00020063811021
                3p
                   -1 :              -0.00007860632735
                   +0 :               0.00034044471755
                   +1 :              -0.00007408711564
                3d
                   -2 :               0.00000699128349
                   -1 :              -0.00001583961787
                   +0 :              -0.00002981177716
                   +1 :               0.00001941841250
                   +2 :              -0.00000508509563
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000280944082
                2s
                   +0 :              -0.00019113139055
                3s
                   +0 :              -0.00001221658413
                2p
                   -1 :              -0.00010070921723
                   +0 :              -0.00043792582545
                   +1 :               0.00048492682123
                3p
                   -1 :              -0.00008703533893
                   +0 :               0.00018847080001
                   +1 :              -0.00054081346794
                3d
                   -2 :              -0.00003249605948
                   -1 :              -0.00000560181446
                   +0 :              -0.00003297643625
                   +1 :               0.00002489782585
                   +2 :              -0.00001336624148
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000721937980
                2s
                   +0 :              -0.00008434499599
                3s
                   +0 :               0.00001741012029
                2p
                   -1 :               0.00021891326506
                   +0 :               0.00001114422550
                   +1 :              -0.00008221743504
                3p
                   -1 :              -0.00016176847394
                   +0 :               0.00000739729574
                   +1 :               0.00005814338845
                3d
                   -2 :              -0.00000625368431
                   -1 :               0.00000021656501
                   +0 :              -0.00000389018104
                   +1 :               0.00000507648674
                   +2 :              -0.00000377826592
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002398871491
                2s
                   +0 :              -0.00022626953541
                3s
                   +0 :               0.00007738839023
                2p
                   -1 :               0.00020457940161
                   +0 :               0.00008680656777
                   +1 :              -0.00002479854064
                3p
                   -1 :              -0.00011414611883
                   +0 :              -0.00006460922017
                   +1 :              -0.00003271840534
                3d
                   -2 :               0.00000698144459
                   -1 :               0.00001356317414
                   +0 :               0.00000271094941
                   +1 :              -0.00000457105114
                   +2 :              -0.00001576431521
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000261592256
                2s
                   +0 :              -0.00002879435307
                3s
                   +0 :              -0.00001590022503
                2p
                   -1 :              -0.00010354144337
                   +0 :              -0.00009470695268
                   +1 :              -0.00009571745642
                3p
                   -1 :               0.00005455907777
                   +0 :               0.00005680951399
                   +1 :               0.00004670370864
                3d
                   -2 :              -0.00000047399386
                   -1 :               0.00000405791091
                   +0 :              -0.00001117556459
                   +1 :              -0.00000111028892
                   +2 :              -0.00000235466979
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001127737696
                2s
                   +0 :              -0.00008986241033
                3s
                   +0 :               0.00001335387653
                2p
                   -1 :              -0.00011442279642
                   +0 :              -0.00001611532744
                   +1 :               0.00006496761404
                3p
                   -1 :               0.00004786448352
                   +0 :              -0.00000380220751
                   +1 :              -0.00007014135294
                3d
                   -2 :              -0.00000401322136
                   -1 :              -0.00000409058267
                   +0 :               0.00000153996068
                   +1 :              -0.00000013271565
                   +2 :               0.00000041105785
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000929812380
                2s
                   +0 :               0.00000760904368
                3s
                   +0 :              -0.00002735016658
                2p
                   -1 :              -0.00004934600493
                   +0 :               0.00012515127094
                   +1 :               0.00001309702025
                3p
                   -1 :               0.00004579590922
                   +0 :              -0.00007736539436
                   +1 :               0.00003843833949
                3d
                   -2 :               0.00000174827182
                   -1 :              -0.00000283211017
                   +0 :               0.00000063334975
                   +1 :               0.00000683959978
                   +2 :               0.00000287461471
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00003047946555
                2s
                   +0 :               0.00017435170348
                3s
                   +0 :              -0.00011429634602
                2p
                   -1 :               0.00010338725382
                   +0 :               0.00002795207183
                   +1 :              -0.00013121681492
                3p
                   -1 :              -0.00008264567159
                   +0 :               0.00002156525209
                   +1 :               0.00021118978112
                3d
                   -2 :              -0.00000086162484
                   -1 :              -0.00000545445661
                   +0 :               0.00002754639035
                   +1 :              -0.00001230050135
                   +2 :              -0.00001748416279
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000731179054
                2s
                   +0 :               0.00007467037148
                3s
                   +0 :               0.00000167674209
                2p
                   -1 :               0.00003122796887
                   +0 :               0.00002066254684
                   +1 :               0.00001698566277
                3p
                   -1 :              -0.00000029814525
                   +0 :               0.00004374344547
                   +1 :               0.00000379022815
                3d
                   -2 :               0.00000733732493
                   -1 :               0.00001110781023
                   +0 :              -0.00000323947414
                   +1 :              -0.00000573167305
                   +2 :              -0.00000592313147
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00004140904796
                2s
                   +0 :               0.00032807109246
                3s
                   +0 :              -0.00010012078245
                2p
                   -1 :              -0.00007914779077
                   +0 :               0.00014805763761
                   +1 :              -0.00004994144250
                3p
                   -1 :               0.00008468923392
                   +0 :              -0.00004321756842
                   +1 :               0.00002274753554
                3d
                   -2 :              -0.00000017883743
                   -1 :               0.00000563346359
                   +0 :              -0.00000680818876
                   +1 :              -0.00000213546930
                   +2 :              -0.00000499242866
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000061467605
                2s
                   +0 :               0.00007084779291
                3s
                   +0 :               0.00003919592324
                2p
                   -1 :              -0.00008191368618
                   +0 :               0.00007862856830
                   +1 :               0.00009227113333
                3p
                   -1 :               0.00003566716897
                   +0 :               0.00003536266020
                   +1 :              -0.00010187461554
                3d
                   -2 :               0.00000133005686
                   -1 :              -0.00000580762707
                   +0 :               0.00000163302938
                   +1 :              -0.00000480152798
                   +2 :               0.00000529697241
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 14)  npairs=  15
              1 vec=    -2.174555     -4.491729     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00026208412213
                2s
                   +0 :              -0.00289781948185
                3s
                   +0 :               0.00015285026340
                2p
                   -1 :               0.00281285542864
                   +0 :               0.00397024232883
                   +1 :              -0.00374719965445
                3p
                   -1 :              -0.00021792012751
                   +0 :              -0.00046875426996
                   +1 :               0.00180983151476
                3d
                   -2 :               0.00010163466291
                   -1 :              -0.00013757875657
                   +0 :              -0.00003748122685
                   +1 :              -0.00008658302937
                   +2 :               0.00001244404002
              2 vec=    -2.174555      4.492029     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00035695320345
                2s
                   +0 :              -0.00273162214403
                3s
                   +0 :               0.00038702776126
                2p
                   -1 :              -0.00077884888664
                   +0 :               0.00343243102149
                   +1 :               0.00126858624358
                3p
                   -1 :               0.00011817032973
                   +0 :              -0.00051673943848
                   +1 :               0.00138164538182
                3d
                   -2 :               0.00012118374123
                   -1 :               0.00003837217900
                   +0 :              -0.00012016321139
                   +1 :              -0.00032335688521
                   +2 :              -0.00014024352661
              3 vec=     5.605607      0.000150     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00017143754789
                2s
                   +0 :              -0.00165206867003
                3s
                   +0 :              -0.00019035291159
                2p
                   -1 :              -0.00217728098970
                   +0 :               0.00212609608693
                   +1 :              -0.00264510152209
                3p
                   -1 :               0.00057224718334
                   +0 :               0.00071402820909
                   +1 :               0.00034163308095
                3d
                   -2 :              -0.00005285088662
                   -1 :               0.00016741842036
                   +0 :              -0.00011306074197
                   +1 :              -0.00000160002935
                   +2 :               0.00005109828208
              4 vec=    -9.954718      0.000150     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00012578091598
                2s
                   +0 :              -0.00106069479331
                3s
                   +0 :               0.00045371107802
                2p
                   -1 :               0.00000113030067
                   +0 :              -0.00023741689612
                   +1 :               0.00055528798689
                3p
                   -1 :               0.00029247513326
                   +0 :              -0.00004498931825
                   +1 :              -0.00043955238599
                3d
                   -2 :              -0.00005051398716
                   -1 :              -0.00002193009416
                   +0 :              -0.00000214255457
                   +1 :               0.00007816919581
                   +2 :               0.00003995850150
              5 vec=     5.605607     -8.983608     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00002153030874
                2s
                   +0 :              -0.00028336129213
                3s
                   +0 :               0.00003395603247
                2p
                   -1 :              -0.00005936064904
                   +0 :              -0.00030982212877
                   +1 :              -0.00015450271770
                3p
                   -1 :               0.00009293905203
                   +0 :               0.00022835544605
                   +1 :               0.00004222307369
                3d
                   -2 :              -0.00001401649139
                   -1 :               0.00000540451700
                   +0 :              -0.00003865423454
                   +1 :              -0.00000344133258
                   +2 :               0.00001200854801
              6 vec=     5.605607      8.983908     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00004898628823
                2s
                   +0 :              -0.00062897791593
                3s
                   +0 :               0.00007557098361
                2p
                   -1 :              -0.00032212678527
                   +0 :              -0.00000533317356
                   +1 :              -0.00006411475022
                3p
                   -1 :              -0.00004861438386
                   +0 :              -0.00004758977732
                   +1 :              -0.00003062515244
                3d
                   -2 :              -0.00000653053196
                   -1 :               0.00000268563393
                   +0 :               0.00001050921345
                   +1 :              -0.00003006951441
                   +2 :               0.00001060997712
              7 vec=    -9.954718     -8.983608     -8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00001249598640
                2s
                   +0 :              -0.00013152914333
                3s
                   +0 :               0.00002888938388
                2p
                   -1 :               0.00016177973640
                   +0 :               0.00012473809335
                   +1 :               0.00014649493283
                3p
                   -1 :              -0.00009424580706
                   +0 :              -0.00007401673424
                   +1 :              -0.00009725606358
                3d
                   -2 :               0.00000752846516
                   -1 :               0.00000205156457
                   +0 :               0.00000330353024
                   +1 :              -0.00000377111309
                   +2 :               0.00000287793405
              8 vec=    -9.954718      8.983908     -8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00003169872465
                2s
                   +0 :               0.00020077836753
                3s
                   +0 :              -0.00014894385517
                2p
                   -1 :               0.00006878971089
                   +0 :              -0.00011981686670
                   +1 :              -0.00027879734184
                3p
                   -1 :              -0.00013069885031
                   +0 :               0.00013765240885
                   +1 :               0.00025346530849
                3d
                   -2 :               0.00000082427715
                   -1 :               0.00001131937107
                   +0 :              -0.00000618016924
                   +1 :              -0.00001086551140
                   +2 :               0.00000910444294
              9 vec=    -2.174555    -13.475487     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00000491062554
                2s
                   +0 :              -0.00001413384271
                3s
                   +0 :              -0.00003733907352
                2p
                   -1 :               0.00006274670155
                   +0 :               0.00000078045153
                   +1 :               0.00006937101378
                3p
                   -1 :              -0.00001105432522
                   +0 :              -0.00000358628632
                   +1 :               0.00000658549023
                3d
                   -2 :              -0.00000024489964
                   -1 :               0.00000362940632
                   +0 :              -0.00000833035509
                   +1 :              -0.00000004084024
                   +2 :               0.00000013223828
             10 vec=    -2.174555     13.475787     -8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00001092225850
                2s
                   +0 :              -0.00008993662821
                3s
                   +0 :               0.00001725110798
                2p
                   -1 :              -0.00008630656731
                   +0 :              -0.00001849729885
                   +1 :              -0.00008590863712
                3p
                   -1 :               0.00004341599061
                   +0 :               0.00002439706101
                   +1 :               0.00010021798107
                3d
                   -2 :               0.00000665474550
                   -1 :               0.00000395993173
                   +0 :              -0.00000111838126
                   +1 :               0.00000391830042
                   +2 :              -0.00000032320548
             11 vec=    13.385770     -4.491729     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00000898109372
                2s
                   +0 :              -0.00006631620606
                3s
                   +0 :              -0.00000542149561
                2p
                   -1 :               0.00003379225063
                   +0 :              -0.00003014059549
                   +1 :              -0.00010871999240
                3p
                   -1 :              -0.00002836741341
                   +0 :               0.00003910915941
                   +1 :               0.00004536380598
                3d
                   -2 :              -0.00000197890019
                   -1 :              -0.00000295301698
                   +0 :               0.00000091303047
                   +1 :               0.00000016650285
                   +2 :              -0.00000473208976
             12 vec=    13.385770      4.492029     -8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00001035087817
                2s
                   +0 :               0.00006045686791
                3s
                   +0 :              -0.00003696110494
                2p
                   -1 :              -0.00006422852960
                   +0 :              -0.00010364096901
                   +1 :              -0.00007670913630
                3p
                   -1 :               0.00004081699165
                   +0 :               0.00012209997667
                   +1 :              -0.00002024017018
                3d
                   -2 :               0.00000261526812
                   -1 :              -0.00000502383076
                   +0 :              -0.00000634463335
                   +1 :               0.00000599033393
                   +2 :              -0.00000314204137
             13 vec=    -2.174555     -4.491729     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00001424298098
                2s
                   +0 :               0.00013623937061
                3s
                   +0 :              -0.00000457625488
                2p
                   -1 :               0.00015976629094
                   +0 :               0.00011728542480
                   +1 :               0.00004034087224
                3p
                   -1 :              -0.00007019324005
                   +0 :              -0.00003222457387
                   +1 :              -0.00004526600905
                3d
                   -2 :               0.00000465843902
                   -1 :               0.00000258655071
                   +0 :              -0.00000061319994
                   +1 :              -0.00000793306807
                   +2 :               0.00000741210211
             14 vec=    -2.174555      4.492029     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00003920064755
                2s
                   +0 :               0.00028817089832
                3s
                   +0 :              -0.00008635294655
                2p
                   -1 :               0.00020533336508
                   +0 :               0.00023502104476
                   +1 :              -0.00002424779602
                3p
                   -1 :              -0.00013132825130
                   +0 :              -0.00013546518923
                   +1 :               0.00003526547877
                3d
                   -2 :               0.00000678193568
                   -1 :              -0.00000620971112
                   +0 :              -0.00000326377716
                   +1 :               0.00000008086658
                   +2 :              -0.00000270243212
             15 vec=     5.605607      0.000150     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00001921498572
                2s
                   +0 :               0.00020491934953
                3s
                   +0 :              -0.00002354589156
                2p
                   -1 :              -0.00007660002841
                   +0 :               0.00014601416690
                   +1 :              -0.00005900811948
                3p
                   -1 :              -0.00000794334195
                   +0 :               0.00000120870851
                   +1 :               0.00003611251394
                3d
                   -2 :              -0.00000315730576
                   -1 :              -0.00000454732801
                   +0 :               0.00000399115091
                   +1 :               0.00000521455994
                   +2 :              -0.00000202042289
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 15)  npairs=  14
              1 vec=     0.209286     -0.362794     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00039781878098
                2s
                   +0 :              -0.00053186068718
                3s
                   +0 :               0.00142583360171
                2p
                   -1 :               0.00131487050739
                   +0 :               0.00364731485560
                   +1 :               0.00178768784401
                3p
                   -1 :              -0.00077411889405
                   +0 :              -0.00354665870033
                   +1 :              -0.00099044900873
                3d
                   -2 :               0.00000805980195
                   -1 :              -0.00010235881559
                   +0 :               0.00075728241196
                   +1 :              -0.00012032491763
                   +2 :               0.00015720056697
              2 vec=     0.209286      8.620964     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00003658050216
                2s
                   +0 :              -0.00000466474560
                3s
                   +0 :              -0.00013452573114
                2p
                   -1 :              -0.00073124997477
                   +0 :               0.00035675444230
                   +1 :               0.00024195078751
                3p
                   -1 :               0.00031223337077
                   +0 :              -0.00037112930900
                   +1 :              -0.00020650378544
                3d
                   -2 :              -0.00004223139423
                   -1 :              -0.00002249633754
                   +0 :               0.00003683907035
                   +1 :               0.00004698562942
                   +2 :              -0.00000721461369
              3 vec=    -7.570876      4.129085     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00026163676293
                2s
                   +0 :               0.00112217916227
                3s
                   +0 :              -0.00091330161127
                2p
                   -1 :              -0.00096319432515
                   +0 :              -0.00110989135968
                   +1 :               0.00088606005305
                3p
                   -1 :               0.00071843748225
                   +0 :               0.00085401884428
                   +1 :              -0.00037561437714
                3d
                   -2 :              -0.00004520307738
                   -1 :               0.00001426641731
                   +0 :              -0.00006085855158
                   +1 :               0.00004477857706
                   +2 :               0.00001147030129
              4 vec=     7.989449      4.129085     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00002182952902
                2s
                   +0 :              -0.00036790644450
                3s
                   +0 :              -0.00018634037964
                2p
                   -1 :               0.00032253366803
                   +0 :              -0.00037095572548
                   +1 :              -0.00012454260386
                3p
                   -1 :              -0.00036571002365
                   +0 :               0.00001322038804
                   +1 :              -0.00024293740085
                3d
                   -2 :              -0.00002725500850
                   -1 :              -0.00000205465652
                   +0 :               0.00002888242295
                   +1 :               0.00000616411751
                   +2 :               0.00000510964731
              5 vec=    -7.570876     -4.854673     -8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00006866168780
                2s
                   +0 :              -0.00050875102489
                3s
                   +0 :               0.00029118285819
                2p
                   -1 :               0.00064895368026
                   +0 :              -0.00022566339417
                   +1 :               0.00050918046128
                3p
                   -1 :              -0.00038932024835
                   +0 :               0.00009764843217
                   +1 :              -0.00015090115388
                3d
                   -2 :               0.00002784245985
                   -1 :               0.00001604899900
                   +0 :              -0.00002649532473
                   +1 :               0.00001224424494
                   +2 :               0.00002661250246
              6 vec=     7.989449     -4.854673     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00002421216827
                2s
                   +0 :              -0.00025277654644
                3s
                   +0 :               0.00006842559897
                2p
                   -1 :               0.00009659181307
                   +0 :              -0.00038959105868
                   +1 :              -0.00085787170976
                3p
                   -1 :               0.00006838175155
                   +0 :               0.00044635085571
                   +1 :               0.00052951881160
                3d
                   -2 :              -0.00003402046042
                   -1 :               0.00001104729007
                   +0 :              -0.00006306555214
                   +1 :               0.00001576373660
                   +2 :               0.00001306700747
              7 vec=     0.209286     -9.346552     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00001943514646
                2s
                   +0 :              -0.00057317118557
                3s
                   +0 :               0.00006530950578
                2p
                   -1 :               0.00088824773808
                   +0 :               0.00055334411452
                   +1 :               0.00010588457971
                3p
                   -1 :              -0.00034145180382
                   +0 :              -0.00050863961367
                   +1 :              -0.00014752064841
                3d
                   -2 :               0.00003030755161
                   -1 :               0.00001111066504
                   +0 :               0.00001018743633
                   +1 :              -0.00000169746268
                   +2 :               0.00001128104492
              8 vec=     0.209286     -0.362794     16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000252489096
                2s
                   +0 :               0.00000722153252
                3s
                   +0 :               0.00003485732359
                2p
                   -1 :              -0.00005456149172
                   +0 :               0.00001753194990
                   +1 :              -0.00008534475289
                3p
                   -1 :               0.00006203791552
                   +0 :               0.00002490483549
                   +1 :               0.00010290213040
                3d
                   -2 :               0.00000190176876
                   -1 :               0.00000093838293
                   +0 :               0.00000651229996
                   +1 :               0.00000558117884
                   +2 :               0.00000893904523
              9 vec=    -7.570876     13.112843     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00000413927237
                2s
                   +0 :               0.00003069074369
                3s
                   +0 :              -0.00003586405534
                2p
                   -1 :              -0.00004499265186
                   +0 :               0.00008482133974
                   +1 :               0.00008072726150
                3p
                   -1 :               0.00001270726588
                   +0 :              -0.00004351187366
                   +1 :              -0.00005569341794
                3d
                   -2 :               0.00000001027038
                   -1 :               0.00000234784308
                   +0 :               0.00000647141726
                   +1 :               0.00000333168817
                   +2 :               0.00000139207801
             10 vec=     7.989449     13.112843     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000805612318
                2s
                   +0 :              -0.00007829190587
                3s
                   +0 :               0.00000974954437
                2p
                   -1 :              -0.00009387402465
                   +0 :               0.00005190067568
                   +1 :              -0.00007055673062
                3p
                   -1 :               0.00004432816623
                   +0 :               0.00000841371719
                   +1 :               0.00000875566199
                3d
                   -2 :              -0.00000194126683
                   -1 :               0.00000255385203
                   +0 :              -0.00000202591986
                   +1 :               0.00000445000311
                   +2 :              -0.00000637723544
             11 vec=   -15.351039     -0.362794     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000565850749
                2s
                   +0 :              -0.00007487999380
                3s
                   +0 :               0.00000324969256
                2p
                   -1 :              -0.00008077938384
                   +0 :               0.00005952791981
                   +1 :               0.00000751183663
                3p
                   -1 :               0.00005180108841
                   +0 :              -0.00000878303247
                   +1 :               0.00003814321960
                3d
                   -2 :              -0.00000184182943
                   -1 :              -0.00000026685202
                   +0 :               0.00000555863359
                   +1 :              -0.00000680419731
                   +2 :              -0.00000409480163
             12 vec=    15.769612     -0.362794     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000225876939
                2s
                   +0 :              -0.00000706648454
                3s
                   +0 :              -0.00002554002079
                2p
                   -1 :               0.00001209153264
                   +0 :               0.00003962700137
                   +1 :              -0.00001627286087
                3p
                   -1 :              -0.00002966613844
                   +0 :               0.00000815214193
                   +1 :              -0.00003165005856
                3d
                   -2 :              -0.00000619686405
                   -1 :               0.00000404854578
                   +0 :              -0.00000400008131
                   +1 :               0.00000685309948
                   +2 :              -0.00000194382361
             13 vec=    -7.570876    -13.838431     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000980948942
                2s
                   +0 :              -0.00006547741270
                3s
                   +0 :               0.00001365811520
                2p
                   -1 :               0.00004154761922
                   +0 :               0.00005088824244
                   +1 :               0.00000511119582
                3p
                   -1 :               0.00001440584609
                   +0 :               0.00002049569987
                   +1 :              -0.00000892541111
                3d
                   -2 :               0.00000038837589
                   -1 :               0.00000057220669
                   +0 :              -0.00000181375901
                   +1 :               0.00000178107989
                   +2 :              -0.00000155191090
             14 vec=     7.989449    -13.838431     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000246078484
                2s
                   +0 :              -0.00000621426071
                3s
                   +0 :              -0.00000955654619
                2p
                   -1 :               0.00003585225217
                   +0 :               0.00006192632129
                   +1 :               0.00001712591564
                3p
                   -1 :               0.00000178193687
                   +0 :              -0.00004016223801
                   +1 :              -0.00002319607203
                3d
                   -2 :              -0.00000261084001
                   -1 :               0.00000200021336
                   +0 :               0.00000191048594
                   +1 :               0.00000121463531
                   +2 :               0.00000056454353
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 16)  npairs=  14
              1 vec=    -2.174555     -1.739106      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00263994027123
                2s
                   +0 :               0.08130879192477
                3s
                   +0 :              -0.00476913285080
                2p
                   -1 :              -0.02442054348222
                   +0 :               0.04375903831567
                   +1 :              -0.02765674989959
                3p
                   -1 :               0.00261136677282
                   +0 :              -0.00601965119661
                   +1 :               0.00381855123513
                3d
                   -2 :               0.00214884361416
                   -1 :              -0.00106616414652
                   +0 :               0.00097359415188
                   +1 :              -0.00124680582795
                   +2 :               0.00026972449482
              2 vec=     5.605607      2.752773      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00041475268844
                2s
                   +0 :               0.00309871699461
                3s
                   +0 :              -0.00147668011012
                2p
                   -1 :               0.00323689460091
                   +0 :               0.00188311667130
                   +1 :               0.00181557701507
                3p
                   -1 :              -0.00227311444251
                   +0 :              -0.00075212635644
                   +1 :              -0.00043812121242
                3d
                   -2 :              -0.00016461599632
                   -1 :              -0.00011930611799
                   +0 :               0.00039158642735
                   +1 :              -0.00005345355527
                   +2 :              -0.00015200369430
              3 vec=    -2.174555      7.244652      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00025103975196
                2s
                   +0 :               0.00111336659455
                3s
                   +0 :              -0.00086097238297
                2p
                   -1 :               0.00245480156747
                   +0 :              -0.00354953741289
                   +1 :              -0.00201460412542
                3p
                   -1 :              -0.00200579208887
                   +0 :               0.00060278769481
                   +1 :              -0.00012732697303
                3d
                   -2 :              -0.00015198746728
                   -1 :              -0.00027344130179
                   +0 :              -0.00001237074913
                   +1 :               0.00005140337238
                   +2 :               0.00013018875224
              4 vec=     5.605607     -6.230985      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00024689183303
                2s
                   +0 :               0.00174621205496
                3s
                   +0 :              -0.00057514161024
                2p
                   -1 :              -0.00207324242882
                   +0 :               0.00038148692745
                   +1 :               0.00154451611361
                3p
                   -1 :               0.00040499150502
                   +0 :              -0.00121855170089
                   +1 :              -0.00091423689538
                3d
                   -2 :              -0.00003734474292
                   -1 :               0.00012711232138
                   +0 :              -0.00001788030339
                   +1 :              -0.00010384262156
                   +2 :              -0.00005562067003
              5 vec=    -9.954718      2.752773      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00018310071711
                2s
                   +0 :              -0.00080677137531
                3s
                   +0 :               0.00041908361801
                2p
                   -1 :              -0.00062924749573
                   +0 :               0.00093651420297
                   +1 :              -0.00114300901557
                3p
                   -1 :               0.00054208352911
                   +0 :              -0.00101217842442
                   +1 :               0.00089511252395
                3d
                   -2 :               0.00000296554283
                   -1 :               0.00002360221667
                   +0 :               0.00008062157563
                   +1 :               0.00004772833790
                   +2 :              -0.00012761526561
              6 vec=    -2.174555    -10.722864      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00003962213888
                2s
                   +0 :               0.00021088972881
                3s
                   +0 :              -0.00003996767150
                2p
                   -1 :              -0.00051357425582
                   +0 :               0.00009997693038
                   +1 :               0.00029021399173
                3p
                   -1 :               0.00054396502836
                   +0 :              -0.00017052459373
                   +1 :              -0.00020079199577
                3d
                   -2 :              -0.00001704762955
                   -1 :              -0.00003699230744
                   +0 :              -0.00000465087224
                   +1 :              -0.00000382002817
                   +2 :               0.00001169437745
              7 vec=    -9.954718     -6.230985      4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00001464666791
                2s
                   +0 :               0.00025999352895
                3s
                   +0 :              -0.00003756684767
                2p
                   -1 :               0.00031655496479
                   +0 :               0.00008732541802
                   +1 :              -0.00044205918819
                3p
                   -1 :              -0.00009798576042
                   +0 :               0.00003929550083
                   +1 :               0.00026897152657
                3d
                   -2 :              -0.00000846671407
                   -1 :               0.00001160009963
                   +0 :               0.00002084806922
                   +1 :               0.00001177278419
                   +2 :               0.00000899563917
              8 vec=     5.605607     11.736531      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00000581241598
                2s
                   +0 :               0.00024875164142
                3s
                   +0 :               0.00018375609912
                2p
                   -1 :              -0.00001999279118
                   +0 :               0.00004297597202
                   +1 :               0.00032607728937
                3p
                   -1 :               0.00042914185489
                   +0 :               0.00007101134288
                   +1 :               0.00000153843971
                3d
                   -2 :               0.00004367351638
                   -1 :               0.00002820178528
                   +0 :              -0.00001175634331
                   +1 :               0.00000778530365
                   +2 :              -0.00003831618518
              9 vec=    13.385770     -1.739106      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00000227083478
                2s
                   +0 :               0.00009309757447
                3s
                   +0 :               0.00006609465328
                2p
                   -1 :               0.00012145496109
                   +0 :              -0.00005012006558
                   +1 :              -0.00001447024710
                3p
                   -1 :              -0.00010692671651
                   +0 :               0.00004081703415
                   +1 :               0.00019462605756
                3d
                   -2 :              -0.00000887438580
                   -1 :               0.00001476158902
                   +0 :              -0.00002801372837
                   +1 :               0.00001087238004
                   +2 :               0.00002209052756
             10 vec=    13.385770      7.244652      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000529772743
                2s
                   +0 :               0.00002791385954
                3s
                   +0 :               0.00001308509416
                2p
                   -1 :               0.00008228871558
                   +0 :               0.00002012507362
                   +1 :              -0.00001634264631
                3p
                   -1 :              -0.00005297679536
                   +0 :              -0.00001455318712
                   +1 :               0.00008428122170
                3d
                   -2 :              -0.00000372360257
                   -1 :              -0.00000038088580
                   +0 :               0.00000260748163
                   +1 :              -0.00000366161363
                   +2 :               0.00000360487440
             11 vec=    -9.954718     11.736531      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00005906627209
                2s
                   +0 :               0.00036899910693
                3s
                   +0 :              -0.00016429243365
                2p
                   -1 :               0.00008575206767
                   +0 :               0.00016708779393
                   +1 :              -0.00008385229151
                3p
                   -1 :              -0.00004221391984
                   +0 :              -0.00016582060299
                   +1 :               0.00002469625067
                3d
                   -2 :               0.00000344983165
                   -1 :              -0.00002216821830
                   +0 :              -0.00001050130464
                   +1 :               0.00001412443181
                   +2 :               0.00000689571290
             12 vec=     5.605607    -15.214743      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00002367144042
                2s
                   +0 :              -0.00015054137994
                3s
                   +0 :               0.00008228312359
                2p
                   -1 :               0.00001650055376
                   +0 :              -0.00006663136040
                   +1 :              -0.00004198761294
                3p
                   -1 :              -0.00002255187174
                   +0 :               0.00003938115378
                   +1 :               0.00001188106280
                3d
                   -2 :              -0.00000324156937
                   -1 :              -0.00000200864159
                   +0 :              -0.00000167853658
                   +1 :              -0.00000181364303
                   +2 :               0.00000164707756
             13 vec=    -2.174555     16.228410      4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000978395697
                2s
                   +0 :               0.00007683898043
                3s
                   +0 :              -0.00002062545254
                2p
                   -1 :               0.00001621633154
                   +0 :              -0.00006874047100
                   +1 :              -0.00004849870863
                3p
                   -1 :               0.00002458690056
                   +0 :               0.00004900639399
                   +1 :               0.00004392392401
                3d
                   -2 :               0.00000134224861
                   -1 :               0.00000788816135
                   +0 :              -0.00000005557298
                   +1 :              -0.00000564750655
                   +2 :              -0.00000970433824
             14 vec=    13.385770    -10.722864      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000389018502
                2s
                   +0 :               0.00003759280326
                3s
                   +0 :              -0.00000666191423
                2p
                   -1 :               0.00002357885227
                   +0 :              -0.00001665022664
                   +1 :               0.00004342593131
                3p
                   -1 :              -0.00001457801022
                   +0 :               0.00000790555812
                   +1 :              -0.00001505900804
                3d
                   -2 :               0.00000334393740
                   -1 :               0.00000009097786
                   +0 :               0.00000010247024
                   +1 :              -0.00000025708993
                   +2 :               0.00000449426366
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 17)  npairs=  14
              1 vec=     2.593128     -1.739106      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00243036553476
                2s
                   +0 :               0.05275161968340
                3s
                   +0 :              -0.00371776647885
                2p
                   -1 :              -0.01734829914988
                   +0 :               0.02509518735249
                   +1 :               0.01829997897409
                3p
                   -1 :               0.00346828997720
                   +0 :              -0.00028326155893
                   +1 :               0.00044742111416
                3d
                   -2 :              -0.00134359269394
                   -1 :              -0.00213553329374
                   +0 :               0.00098338971910
                   +1 :               0.00210715693446
                   +2 :               0.00005601794546
              2 vec=    -5.187034      2.752773      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00227087128775
                2s
                   +0 :               0.01624299759078
                3s
                   +0 :              -0.00760626944325
                2p
                   -1 :               0.00650618226443
                   +0 :               0.00582018254644
                   +1 :              -0.01380698101374
                3p
                   -1 :              -0.00489372406131
                   +0 :              -0.00451188010382
                   +1 :               0.00971899053673
                3d
                   -2 :               0.00063312786069
                   -1 :              -0.00023877256167
                   +0 :               0.00035943400909
                   +1 :               0.00046407394249
                   +2 :              -0.00042141761187
              3 vec=     2.593128      7.244652      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00009226696895
                2s
                   +0 :               0.00081609270361
                3s
                   +0 :               0.00005994363346
                2p
                   -1 :               0.00387646727168
                   +0 :              -0.00268065087081
                   +1 :               0.00379925619771
                3p
                   -1 :              -0.00139151449396
                   +0 :               0.00052714404283
                   +1 :              -0.00151554612098
                3d
                   -2 :               0.00006996954579
                   -1 :              -0.00014023029362
                   +0 :              -0.00012593421876
                   +1 :              -0.00002807556765
                   +2 :              -0.00003212015495
              4 vec=    -5.187034     -6.230985      4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00015664009758
                2s
                   +0 :               0.00106071241532
                3s
                   +0 :              -0.00014730589125
                2p
                   -1 :              -0.00228703478420
                   +0 :              -0.00189487749682
                   +1 :              -0.00001343432873
                3p
                   -1 :              -0.00012077668766
                   +0 :               0.00053689047007
                   +1 :              -0.00089079114004
                3d
                   -2 :               0.00021004669149
                   -1 :               0.00001951903272
                   +0 :              -0.00014496691220
                   +1 :               0.00003126423247
                   +2 :              -0.00002181716576
              5 vec=    10.373291      2.752773      4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00004780562370
                2s
                   +0 :               0.00061002035339
                3s
                   +0 :              -0.00019241520925
                2p
                   -1 :              -0.00051448929796
                   +0 :              -0.00018046796044
                   +1 :               0.00068222438724
                3p
                   -1 :               0.00057320461893
                   +0 :               0.00011409116959
                   +1 :              -0.00045301668336
                3d
                   -2 :               0.00001547305660
                   -1 :               0.00002200750694
                   +0 :               0.00004628751188
                   +1 :              -0.00002970304985
                   +2 :              -0.00007039181459
              6 vec=     2.593128    -10.722864      4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00007572530246
                2s
                   +0 :               0.00048929916626
                3s
                   +0 :              -0.00025458070722
                2p
                   -1 :              -0.00083823493786
                   +0 :              -0.00028205258071
                   +1 :              -0.00044901771717
                3p
                   -1 :               0.00080921227677
                   +0 :               0.00013854942739
                   +1 :               0.00033178576914
                3d
                   -2 :               0.00003944369608
                   -1 :               0.00000919843087
                   +0 :               0.00003242924982
                   +1 :               0.00000503703842
                   +2 :               0.00005340252994
              7 vec=    10.373291     -6.230985      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00000696438571
                2s
                   +0 :               0.00010956710118
                3s
                   +0 :               0.00002708538177
                2p
                   -1 :               0.00013704672558
                   +0 :               0.00030360032450
                   +1 :              -0.00008151700672
                3p
                   -1 :              -0.00010368380983
                   +0 :              -0.00015560719647
                   +1 :               0.00018007817679
                3d
                   -2 :               0.00001689018855
                   -1 :              -0.00000882702002
                   +0 :              -0.00000601133062
                   +1 :              -0.00003270579073
                   +2 :              -0.00002909728762
              8 vec=    -5.187034     11.736531      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00001424854903
                2s
                   +0 :               0.00033341955719
                3s
                   +0 :               0.00005810033054
                2p
                   -1 :               0.00016755707682
                   +0 :               0.00010484200755
                   +1 :               0.00001919603105
                3p
                   -1 :               0.00013549747325
                   +0 :              -0.00007225143491
                   +1 :              -0.00016316518984
                3d
                   -2 :              -0.00003746781980
                   -1 :              -0.00000760378286
                   +0 :              -0.00002566478348
                   +1 :               0.00001670139263
                   +2 :              -0.00002200139572
              9 vec=   -12.967197     -1.739106      4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00000128444107
                2s
                   +0 :               0.00006334731057
                3s
                   +0 :               0.00003663342062
                2p
                   -1 :              -0.00022701710789
                   +0 :              -0.00016366428000
                   +1 :              -0.00008849572314
                3p
                   -1 :               0.00015903879123
                   +0 :               0.00011143098270
                   +1 :               0.00002030214703
                3d
                   -2 :               0.00000173869074
                   -1 :               0.00000556634105
                   +0 :              -0.00000327794384
                   +1 :              -0.00000459115056
                   +2 :              -0.00001724869888
             10 vec=   -12.967197      7.244652      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00003022444074
                2s
                   +0 :               0.00018953382113
                3s
                   +0 :              -0.00004943426724
                2p
                   -1 :               0.00007705354772
                   +0 :               0.00009296984319
                   +1 :              -0.00020088572031
                3p
                   -1 :              -0.00003826234122
                   +0 :              -0.00009146715198
                   +1 :               0.00009018099926
                3d
                   -2 :              -0.00000989270871
                   -1 :               0.00000321992422
                   +0 :              -0.00001217333178
                   +1 :               0.00000975848551
                   +2 :               0.00001451150474
             11 vec=    10.373291     11.736531      4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000796261773
                2s
                   +0 :               0.00005613984967
                3s
                   +0 :               0.00000484297975
                2p
                   -1 :               0.00000917202031
                   +0 :              -0.00002371403158
                   +1 :               0.00003734035927
                3p
                   -1 :               0.00001196229845
                   +0 :               0.00001194615494
                   +1 :               0.00002289566651
                3d
                   -2 :              -0.00000337464321
                   -1 :               0.00000074828598
                   +0 :              -0.00001155042497
                   +1 :               0.00000796254738
                   +2 :               0.00000786815981
             12 vec=    -5.187034    -15.214743      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00001870012005
                2s
                   +0 :              -0.00011826485581
                3s
                   +0 :               0.00005673909042
                2p
                   -1 :               0.00007948875719
                   +0 :               0.00002495009082
                   +1 :               0.00009775596637
                3p
                   -1 :              -0.00006659770123
                   +0 :              -0.00004720385965
                   +1 :              -0.00006621591396
                3d
                   -2 :               0.00000124987491
                   -1 :               0.00000166788523
                   +0 :              -0.00000598305305
                   +1 :              -0.00000281787800
                   +2 :              -0.00000121290332
             13 vec=     2.593128     16.228410      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000207678475
                2s
                   +0 :               0.00001473618936
                3s
                   +0 :              -0.00000067457249
                2p
                   -1 :              -0.00000834503698
                   +0 :              -0.00008893571230
                   +1 :               0.00005185712793
                3p
                   -1 :               0.00001710444399
                   +0 :               0.00006456678424
                   +1 :              -0.00006131715015
                3d
                   -2 :               0.00000225330635
                   -1 :              -0.00000131621290
                   +0 :               0.00000460353962
                   +1 :              -0.00000358095773
                   +2 :              -0.00000447816857
             14 vec=   -12.967197    -10.722864      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000172152704
                2s
                   +0 :               0.00000825762523
                3s
                   +0 :              -0.00000215090093
                2p
                   -1 :               0.00005216765185
                   +0 :               0.00004096922296
                   +1 :              -0.00005266505307
                3p
                   -1 :              -0.00001874230332
                   +0 :              -0.00005983318245
                   +1 :               0.00002065586385
                3d
                   -2 :              -0.00000163244433
                   -1 :               0.00000042604093
                   +0 :              -0.00000179135699
                   +1 :               0.00000002654122
                   +2 :              -0.00000095135901
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 18)  npairs=  14
              1 vec=     0.209286      3.115717      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00229802726401
                2s
                   +0 :               0.05971517469608
                3s
                   +0 :              -0.00337154652194
                2p
                   -1 :               0.02551464577968
                   +0 :               0.02377411466952
                   +1 :              -0.00181147179923
                3p
                   -1 :               0.00092294931760
                   +0 :               0.00294300449514
                   +1 :               0.00459968528583
                3d
                   -2 :               0.00007225856520
                   -1 :               0.00315001920816
                   +0 :               0.00148936540574
                   +1 :              -0.00042986303233
                   +2 :              -0.00106977162161
              2 vec=     0.209286     -5.868041      4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00008405641378
                2s
                   +0 :              -0.00146900182119
                3s
                   +0 :               0.00048324814332
                2p
                   -1 :               0.00002928629162
                   +0 :               0.00159056856909
                   +1 :              -0.00081704036531
                3p
                   -1 :              -0.00095136357383
                   +0 :              -0.00122412045651
                   +1 :               0.00074273553392
                3d
                   -2 :              -0.00001217770612
                   -1 :               0.00019007510047
                   +0 :              -0.00032916165151
                   +1 :               0.00005642276763
                   +2 :               0.00009925015910
              3 vec=    -7.570876     -1.376162      4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00027293245098
                2s
                   +0 :              -0.00283755336359
                3s
                   +0 :               0.00098696727557
                2p
                   -1 :               0.00257098393319
                   +0 :              -0.00339180468819
                   +1 :               0.00068070538536
                3p
                   -1 :              -0.00102654066261
                   +0 :               0.00080643396043
                   +1 :              -0.00083566534270
                3d
                   -2 :              -0.00005527445957
                   -1 :              -0.00016858235155
                   +0 :              -0.00010466045096
                   +1 :               0.00013857525465
                   +2 :               0.00007372377987
              4 vec=     7.989449     -1.376162      4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00013004749302
                2s
                   +0 :              -0.00061819265021
                3s
                   +0 :               0.00052655385083
                2p
                   -1 :              -0.00096506820995
                   +0 :              -0.00109159139921
                   +1 :               0.00250412879578
                3p
                   -1 :               0.00145488214746
                   +0 :               0.00004355909600
                   +1 :              -0.00126855459937
                3d
                   -2 :               0.00015745746664
                   -1 :               0.00001571608096
                   +0 :               0.00001247039083
                   +1 :              -0.00013683697239
                   +2 :               0.00004275558844
              5 vec=    -7.570876      7.607596      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00025221879344
                2s
                   +0 :              -0.00138238022891
                3s
                   +0 :               0.00081780680434
                2p
                   -1 :              -0.00121254705382
                   +0 :               0.00053312120444
                   +1 :               0.00018594028829
                3p
                   -1 :               0.00114239337377
                   +0 :              -0.00052602016046
                   +1 :              -0.00025668133184
                3d
                   -2 :              -0.00003482430860
                   -1 :              -0.00002591478709
                   +0 :              -0.00004617415868
                   +1 :               0.00001199924140
                   +2 :              -0.00006771241568
              6 vec=     7.989449      7.607596      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00002274968983
                2s
                   +0 :               0.00004880550839
                3s
                   +0 :               0.00013907680335
                2p
                   -1 :               0.00017414269297
                   +0 :              -0.00013545155450
                   +1 :               0.00019607439232
                3p
                   -1 :              -0.00007732592449
                   +0 :               0.00006490988142
                   +1 :               0.00003565397858
                3d
                   -2 :               0.00001010907949
                   -1 :              -0.00000463629968
                   +0 :              -0.00001881518696
                   +1 :               0.00000006050364
                   +2 :               0.00000103702328
              7 vec=     0.209286     12.099475      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00001850422253
                2s
                   +0 :               0.00002840805224
                3s
                   +0 :               0.00013474721818
                2p
                   -1 :              -0.00030010845038
                   +0 :              -0.00004396764372
                   +1 :              -0.00028290208243
                3p
                   -1 :               0.00030492285393
                   +0 :               0.00016728659830
                   +1 :               0.00011478929179
                3d
                   -2 :               0.00000539390769
                   -1 :               0.00001241920673
                   +0 :              -0.00004051583852
                   +1 :              -0.00003175153919
                   +2 :               0.00000051299306
              8 vec=    -7.570876    -10.359920      4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00007001506950
                2s
                   +0 :               0.00079537544880
                3s
                   +0 :              -0.00017636822543
                2p
                   -1 :              -0.00075581922542
                   +0 :              -0.00015519952217
                   +1 :              -0.00032329829629
                3p
                   -1 :               0.00026888131235
                   +0 :               0.00010830647013
                   +1 :               0.00007483949072
                3d
                   -2 :               0.00003226782463
                   -1 :              -0.00002224303906
                   +0 :              -0.00001892578362
                   +1 :               0.00000446730569
                   +2 :               0.00001285809227
              9 vec=     7.989449    -10.359920      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00002156177426
                2s
                   +0 :               0.00013990527427
                3s
                   +0 :               0.00014430975024
                2p
                   -1 :              -0.00043833184168
                   +0 :               0.00005224634508
                   +1 :               0.00021478757904
                3p
                   -1 :               0.00009365784908
                   +0 :              -0.00007376176767
                   +1 :              -0.00005728153497
                3d
                   -2 :              -0.00001883514535
                   -1 :               0.00001597191651
                   +0 :              -0.00000926679330
                   +1 :              -0.00002603777607
                   +2 :              -0.00000912686385
             10 vec=     0.209286    -14.851799      4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00004661406015
                2s
                   +0 :              -0.00026938757943
                3s
                   +0 :               0.00013379349628
                2p
                   -1 :               0.00014988965940
                   +0 :              -0.00001380285757
                   +1 :               0.00003895339276
                3p
                   -1 :              -0.00013861708886
                   +0 :               0.00000231772548
                   +1 :              -0.00004242194796
                3d
                   -2 :               0.00000438978887
                   -1 :              -0.00000286687200
                   +0 :               0.00000141939290
                   +1 :              -0.00000192989200
                   +2 :              -0.00000904455210
             11 vec=   -15.351039      3.115717      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000672911748
                2s
                   +0 :              -0.00003382777130
                3s
                   +0 :               0.00005976379507
                2p
                   -1 :               0.00006538945145
                   +0 :              -0.00004358523925
                   +1 :               0.00020918593892
                3p
                   -1 :              -0.00006818972964
                   +0 :               0.00002276497344
                   +1 :              -0.00025880273158
                3d
                   -2 :               0.00000748655809
                   -1 :              -0.00000164120530
                   +0 :              -0.00000710931860
                   +1 :              -0.00000522903884
                   +2 :               0.00002699042493
             12 vec=    15.769612      3.115717      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00000169082191
                2s
                   +0 :               0.00000312117575
                3s
                   +0 :               0.00001473922015
                2p
                   -1 :              -0.00012477289608
                   +0 :              -0.00005417083009
                   +1 :              -0.00008453774771
                3p
                   -1 :               0.00011010783428
                   +0 :               0.00002524475169
                   +1 :               0.00011406282169
                3d
                   -2 :               0.00000411564997
                   -1 :              -0.00000350534899
                   +0 :              -0.00000966987626
                   +1 :               0.00000101769034
                   +2 :               0.00000802114580
             13 vec=   -15.351039     -5.868041      4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00000938262639
                2s
                   +0 :               0.00006529466167
                3s
                   +0 :              -0.00003124818440
                2p
                   -1 :              -0.00005316743714
                   +0 :               0.00004330980040
                   +1 :              -0.00000942616495
                3p
                   -1 :               0.00003408327906
                   +0 :              -0.00005022907537
                   +1 :              -0.00002346610165
                3d
                   -2 :              -0.00000601058673
                   -1 :               0.00000732733264
                   +0 :              -0.00000569108873
                   +1 :               0.00000427517471
                   +2 :               0.00000114851692
             14 vec=    15.769612     -5.868041      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000056874442
                2s
                   +0 :               0.00001184932534
                3s
                   +0 :               0.00001316217061
                2p
                   -1 :              -0.00007499919291
                   +0 :              -0.00005829710636
                   +1 :               0.00000410135107
                3p
                   -1 :               0.00004759229533
                   +0 :               0.00003200226820
                   +1 :               0.00002283133993
                3d
                   -2 :              -0.00000451592505
                   -1 :               0.00000158676818
                   +0 :               0.00000293081429
                   +1 :              -0.00000108351041
                   +2 :               0.00000134694461
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 19)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00002329422269
                2s
                   +0 :              -0.00045385251029
                3s
                   +0 :               0.00004552428645
                2p
                   -1 :               0.02911348404808
                   +0 :               0.87407009020164
                   +1 :               0.01669665667760
                3p
                   -1 :              -0.01209078233392
                   +0 :              -0.03991756573809
                   +1 :              -0.00690454267155
                3d
                   -2 :              -0.00112278203263
                   -1 :               0.00219067837909
                   +0 :              -0.00004146020112
                   +1 :              -0.00380380923541
                   +2 :              -0.00193344825949
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00005401211916
                2s
                   +0 :               0.00009374304775
                3s
                   +0 :              -0.00023593285856
                2p
                   -1 :              -0.00062802075178
                   +0 :              -0.00014549226878
                   +1 :              -0.00058586490807
                3p
                   -1 :               0.00065977690461
                   +0 :               0.00033778869481
                   +1 :               0.00061855019327
                3d
                   -2 :               0.00001884680737
                   -1 :              -0.00009643284350
                   +0 :              -0.00000808258853
                   +1 :              -0.00006911478501
                   +2 :               0.00007851450705
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000230517080
                2s
                   +0 :              -0.00001910494001
                3s
                   +0 :               0.00000439658139
                2p
                   -1 :               0.00148118145489
                   +0 :              -0.00031294745708
                   +1 :               0.00084289564498
                3p
                   -1 :              -0.00159602948621
                   +0 :               0.00071350947611
                   +1 :              -0.00091495334892
                3d
                   -2 :               0.00003179472204
                   -1 :               0.00009521991882
                   +0 :               0.00000052753361
                   +1 :              -0.00016659207699
                   +2 :               0.00005424032579
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028045596705
                2s
                   +0 :              -0.00202086987472
                3s
                   +0 :               0.00120981414903
                2p
                   -1 :               0.00203143578403
                   +0 :               0.00074362046870
                   +1 :              -0.00024759179381
                3p
                   -1 :              -0.00196058151879
                   +0 :              -0.00055507450986
                   +1 :              -0.00004679082785
                3d
                   -2 :               0.00000012590496
                   -1 :               0.00014399234263
                   +0 :              -0.00001766840909
                   +1 :              -0.00007595304005
                   +2 :              -0.00021782600066
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00005445857746
                2s
                   +0 :              -0.00009281395414
                3s
                   +0 :               0.00023852733708
                2p
                   -1 :              -0.00082975482200
                   +0 :              -0.00015999405852
                   +1 :              -0.00026667929799
                3p
                   -1 :               0.00087300649568
                   +0 :               0.00033312888888
                   +1 :               0.00026410697092
                3d
                   -2 :               0.00005856564593
                   -1 :               0.00010800310525
                   +0 :               0.00000860862590
                   +1 :               0.00004953193074
                   +2 :               0.00005678214268
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000193467398
                2s
                   +0 :              -0.00000980571808
                3s
                   +0 :               0.00000625866796
                2p
                   -1 :              -0.00004905367389
                   +0 :               0.00069284826116
                   +1 :              -0.00004551312479
                3p
                   -1 :              -0.00010286544366
                   +0 :              -0.00033457353713
                   +1 :              -0.00004714318204
                3d
                   -2 :              -0.00001802961727
                   -1 :              -0.00001703313257
                   +0 :              -0.00000045929785
                   +1 :               0.00002895876251
                   +2 :              -0.00002999902358
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00028125069889
                2s
                   +0 :               0.00203852677437
                3s
                   +0 :              -0.00120721708959
                2p
                   -1 :               0.00083042816693
                   +0 :               0.00074939097578
                   +1 :               0.00189602672535
                3p
                   -1 :              -0.00103148677925
                   +0 :              -0.00054466043849
                   +1 :              -0.00167193277689
                3d
                   -2 :              -0.00018841216817
                   -1 :              -0.00000532048242
                   +0 :               0.00001806696833
                   +1 :              -0.00016163941426
                   +2 :              -0.00010784098651
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001510922743
                2s
                   +0 :              -0.00014137483353
                3s
                   +0 :               0.00001936069485
                2p
                   -1 :               0.00001850398644
                   +0 :               0.00002198528628
                   +1 :              -0.00017368358937
                3p
                   -1 :              -0.00003189310492
                   +0 :              -0.00003280933095
                   +1 :               0.00024542735192
                3d
                   -2 :              -0.00000229948071
                   -1 :              -0.00001302950382
                   +0 :               0.00001340706891
                   +1 :              -0.00000563400223
                   +2 :              -0.00001733374555
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002227764206
                2s
                   +0 :              -0.00020490788916
                3s
                   +0 :               0.00001957818479
                2p
                   -1 :              -0.00002499499227
                   +0 :              -0.00011634769780
                   +1 :               0.00003373904484
                3p
                   -1 :               0.00013466080539
                   +0 :               0.00003179178884
                   +1 :               0.00005834924332
                3d
                   -2 :              -0.00002266413722
                   -1 :              -0.00000045691140
                   +0 :               0.00001404002401
                   +1 :              -0.00000431738999
                   +2 :               0.00001741885914
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001191115150
                2s
                   +0 :               0.00011392640001
                3s
                   +0 :              -0.00001260173171
                2p
                   -1 :              -0.00014954040125
                   +0 :               0.00002173775909
                   +1 :               0.00011313518678
                3p
                   -1 :               0.00020044754600
                   +0 :              -0.00003070897238
                   +1 :              -0.00015280829430
                3d
                   -2 :              -0.00001393615370
                   -1 :               0.00001094157471
                   +0 :              -0.00001333126078
                   +1 :               0.00000791457591
                   +2 :              -0.00001083618269
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003245911498
                2s
                   +0 :              -0.00021113053463
                3s
                   +0 :               0.00007283140907
                2p
                   -1 :               0.00000476925323
                   +0 :               0.00010284094705
                   +1 :              -0.00004022658832
                3p
                   -1 :               0.00004297553456
                   +0 :              -0.00011264083871
                   +1 :              -0.00000093094043
                3d
                   -2 :               0.00000445854608
                   -1 :               0.00000682241920
                   +0 :               0.00001145136000
                   +1 :              -0.00000639410913
                   +2 :               0.00000426651416
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002180977458
                2s
                   +0 :               0.00019614721421
                3s
                   +0 :              -0.00002030793240
                2p
                   -1 :               0.00002171020905
                   +0 :              -0.00011759648246
                   +1 :              -0.00004523898702
                3p
                   -1 :               0.00011274563389
                   +0 :               0.00003233223976
                   +1 :               0.00008946661832
                3d
                   -2 :               0.00002630983999
                   -1 :               0.00000376970068
                   +0 :              -0.00001425920179
                   +1 :              -0.00000226677714
                   +2 :              -0.00001113404081
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003198881937
                2s
                   +0 :               0.00020785217451
                3s
                   +0 :              -0.00007270778203
                2p
                   -1 :              -0.00003517521766
                   +0 :               0.00010235646000
                   +1 :               0.00002040784937
                3p
                   -1 :               0.00002086234689
                   +0 :              -0.00011401738269
                   +1 :               0.00004097162506
                3d
                   -2 :               0.00000114549946
                   -1 :               0.00000193388247
                   +0 :              -0.00001152085176
                   +1 :              -0.00000975897929
                   +2 :               0.00000627001852
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000315064239
                2s
                   +0 :               0.00000357194254
                3s
                   +0 :              -0.00001292817819
                2p
                   -1 :               0.00002312935306
                   +0 :              -0.00000871443693
                   +1 :               0.00000997001971
                3p
                   -1 :              -0.00001531863279
                   +0 :              -0.00000378723388
                   +1 :               0.00000581510894
                3d
                   -2 :              -0.00000170067706
                   -1 :               0.00000284322767
                   +0 :               0.00000339318815
                   +1 :               0.00000031167682
                   +2 :              -0.00000240556520
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000012832089
                2s
                   +0 :              -0.00000187581025
                3s
                   +0 :              -0.00000019781395
                2p
                   -1 :              -0.00000354901197
                   +0 :               0.00000365217125
                   +1 :              -0.00000157588227
                3p
                   -1 :               0.00000582564338
                   +0 :              -0.00001284527349
                   +1 :               0.00000449796024
                3d
                   -2 :              -0.00000215089366
                   -1 :              -0.00000013383117
                   +0 :              -0.00000005034544
                   +1 :               0.00000031218090
                   +2 :              -0.00000378517529
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000044184624
                2s
                   +0 :              -0.00001986962687
                3s
                   +0 :              -0.00000118905619
                2p
                   -1 :              -0.00001212362820
                   +0 :              -0.00002037920322
                   +1 :               0.00000425005125
                3p
                   -1 :               0.00002289696761
                   +0 :               0.00000620488639
                   +1 :              -0.00000586890791
                3d
                   -2 :              -0.00000032745370
                   -1 :              -0.00000054537219
                   +0 :              -0.00000068068355
                   +1 :               0.00000100479677
                   +2 :               0.00000396034541
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000370946705
                2s
                   +0 :              -0.00000902193572
                3s
                   +0 :               0.00001352461523
                2p
                   -1 :               0.00001495914924
                   +0 :              -0.00000938830349
                   +1 :               0.00001569255536
                3p
                   -1 :              -0.00000108971468
                   +0 :              -0.00000433138449
                   +1 :              -0.00001726503758
                3d
                   -2 :              -0.00000133708938
                   -1 :              -0.00000178911308
                   +0 :              -0.00000367450996
                   +1 :              -0.00000235408127
                   +2 :              -0.00000256629956
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000002992040
                2s
                   +0 :               0.00000000234173
                3s
                   +0 :               0.00000040145470
                2p
                   -1 :               0.00002614806481
                   +0 :               0.00004627237822
                   +1 :               0.00001364501045
                3p
                   -1 :              -0.00001497965595
                   +0 :              -0.00004759431045
                   +1 :              -0.00000743901297
                3d
                   -2 :              -0.00000044356638
                   -1 :               0.00000309612441
                   +0 :              -0.00000001467537
                   +1 :              -0.00000525043199
                   +2 :              -0.00000091782603
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000058427128
                2s
                   +0 :               0.00001983465903
                3s
                   +0 :               0.00000036628743
                2p
                   -1 :              -0.00000153389040
                   +0 :              -0.00002046667164
                   +1 :              -0.00001449554009
                3p
                   -1 :               0.00000537377819
                   +0 :               0.00000733606932
                   +1 :               0.00002385476603
                3d
                   -2 :               0.00000361633959
                   -1 :              -0.00000066828392
                   +0 :               0.00000080415921
                   +1 :               0.00000112219480
                   +2 :               0.00000190769482
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 20)  npairs=  12
              1 vec=    -4.768202     -0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00030127018467
                2s
                   +0 :              -0.00338657024638
                3s
                   +0 :               0.00047564492838
                2p
                   -1 :              -0.00123049952289
                   +0 :              -0.01066109808233
                   +1 :              -0.00158300515151
                3p
                   -1 :               0.00121843280139
                   +0 :              -0.00340583242163
                   +1 :               0.00308867589726
                3d
                   -2 :              -0.00000175887714
                   -1 :               0.00014705886472
                   +0 :              -0.00006444748047
                   +1 :               0.00205074923633
                   +2 :              -0.00038021765301
              2 vec=     3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00151123171001
                2s
                   +0 :              -0.00844435324515
                3s
                   +0 :               0.00410529821334
                2p
                   -1 :               0.00398743059942
                   +0 :              -0.00630799860597
                   +1 :              -0.00772368314270
                3p
                   -1 :              -0.00271235497782
                   +0 :               0.00156197983053
                   +1 :               0.00580903371704
                3d
                   -2 :              -0.00037522897789
                   -1 :               0.00055904821795
                   +0 :              -0.00044600820590
                   +1 :              -0.00074564971003
                   +2 :               0.00010593143302
              3 vec=     3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00182184329885
                2s
                   +0 :               0.01181923153326
                3s
                   +0 :              -0.00520444443475
                2p
                   -1 :               0.00693910910698
                   +0 :              -0.00053267507563
                   +1 :               0.00387640863781
                3p
                   -1 :              -0.00391343847076
                   +0 :              -0.00345096148529
                   +1 :              -0.00215273827381
                3d
                   -2 :               0.00002627552174
                   -1 :              -0.00064844659419
                   +0 :               0.00026001858201
                   +1 :              -0.00012064323241
                   +2 :               0.00031954821932
              4 vec=    -4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00002444038898
                2s
                   +0 :              -0.00060775906648
                3s
                   +0 :              -0.00017379757812
                2p
                   -1 :               0.00122375184164
                   +0 :               0.00019345738343
                   +1 :               0.00080945114358
                3p
                   -1 :              -0.00052174328086
                   +0 :              -0.00054782596450
                   +1 :              -0.00040811117490
                3d
                   -2 :               0.00003828657821
                   -1 :               0.00011333713650
                   +0 :              -0.00011161632135
                   +1 :               0.00001071273052
                   +2 :               0.00005635394011
              5 vec=    -4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00001712131250
                2s
                   +0 :               0.00029325743121
                3s
                   +0 :               0.00008423551046
                2p
                   -1 :               0.00049327424241
                   +0 :              -0.00044055961290
                   +1 :              -0.00131507607834
                3p
                   -1 :              -0.00009617696229
                   +0 :              -0.00002839450945
                   +1 :               0.00096852381005
                3d
                   -2 :               0.00008417464353
                   -1 :              -0.00001672268397
                   +0 :              -0.00003343627020
                   +1 :               0.00001167306758
                   +2 :              -0.00002907905203
              6 vec=    10.792123      0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00018363896079
                2s
                   +0 :              -0.00084839248794
                3s
                   +0 :               0.00054343222873
                2p
                   -1 :              -0.00001350054067
                   +0 :               0.00021852566547
                   +1 :              -0.00081253389665
                3p
                   -1 :              -0.00002810131150
                   +0 :              -0.00050125112418
                   +1 :               0.00084522352135
                3d
                   -2 :               0.00003275870396
                   -1 :              -0.00001972599242
                   +0 :              -0.00001862181447
                   +1 :              -0.00004123924241
                   +2 :               0.00006633440707
              7 vec=   -12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00006421967932
                2s
                   +0 :              -0.00044398708894
                3s
                   +0 :               0.00019497286017
                2p
                   -1 :               0.00031728823445
                   +0 :              -0.00015573049310
                   +1 :               0.00036348994582
                3p
                   -1 :              -0.00022172672675
                   +0 :               0.00004329625895
                   +1 :              -0.00026166948214
                3d
                   -2 :               0.00002070057489
                   -1 :              -0.00000189349449
                   +0 :               0.00001516072881
                   +1 :              -0.00000890378274
                   +2 :               0.00000403646199
              8 vec=   -12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00002383023093
                2s
                   +0 :              -0.00014757833061
                3s
                   +0 :               0.00008502395879
                2p
                   -1 :              -0.00016317493446
                   +0 :              -0.00041493137612
                   +1 :              -0.00029604427262
                3p
                   -1 :               0.00010612146513
                   +0 :               0.00027534496617
                   +1 :               0.00019865153521
                3d
                   -2 :              -0.00000527856863
                   -1 :              -0.00001471828258
                   +0 :              -0.00001207746611
                   +1 :              -0.00000019108266
                   +2 :               0.00000695927455
              9 vec=     3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00001322004938
                2s
                   +0 :              -0.00010734424746
                3s
                   +0 :               0.00002787397635
                2p
                   -1 :               0.00006614316048
                   +0 :               0.00013456793354
                   +1 :               0.00017564816548
                3p
                   -1 :              -0.00002789151076
                   +0 :              -0.00013102890623
                   +1 :              -0.00016560284971
                3d
                   -2 :               0.00001548533410
                   -1 :              -0.00000230992033
                   +0 :               0.00001881766989
                   +1 :              -0.00001141994326
                   +2 :              -0.00000760482746
             10 vec=     3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005103278878
                2s
                   +0 :               0.00031939048554
                3s
                   +0 :              -0.00012652127178
                2p
                   -1 :               0.00034850714140
                   +0 :               0.00013941595799
                   +1 :               0.00000150195795
                3p
                   -1 :              -0.00022474327697
                   +0 :              -0.00015836331450
                   +1 :              -0.00001434684226
                3d
                   -2 :              -0.00001116195995
                   -1 :              -0.00000045347348
                   +0 :               0.00000489019115
                   +1 :              -0.00000511431427
                   +2 :              -0.00000352520263
             11 vec=    10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000871684808
                2s
                   +0 :              -0.00001297443452
                3s
                   +0 :               0.00000907412378
                2p
                   -1 :              -0.00002195706438
                   +0 :               0.00006261449988
                   +1 :              -0.00002992916986
                3p
                   -1 :              -0.00000733963596
                   +0 :              -0.00009266214124
                   +1 :               0.00003230164242
                3d
                   -2 :               0.00000737577564
                   -1 :              -0.00000619590112
                   +0 :               0.00000497697560
                   +1 :              -0.00000595037819
                   +2 :              -0.00000365982213
             12 vec=    10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00002558986819
                2s
                   +0 :              -0.00015084546833
                3s
                   +0 :               0.00012266511157
                2p
                   -1 :              -0.00034019731332
                   +0 :              -0.00006569934373
                   +1 :               0.00000175959009
                3p
                   -1 :               0.00026626263189
                   +0 :               0.00003789509328
                   +1 :               0.00004067206914
                3d
                   -2 :               0.00000969153420
                   -1 :              -0.00001074550704
                   +0 :              -0.00002280501140
                   +1 :               0.00000883301086
                   +2 :              -0.00000583982911
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 21)  npairs=  12
              1 vec=    -2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00030171274656
                2s
                   +0 :               0.00337305093601
                3s
                   +0 :              -0.00047911090212
                2p
                   -1 :              -0.00201236461362
                   +0 :              -0.01064495090813
                   +1 :              -0.00025016816796
                3p
                   -1 :               0.00329416916625
                   +0 :              -0.00342119296722
                   +1 :              -0.00052659212105
                3d
                   -2 :              -0.00033443740834
                   -1 :              -0.00184954081388
                   +0 :               0.00006239072863
                   +1 :               0.00089985764526
                   +2 :              -0.00019477167821
              2 vec=    -2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00181840860950
                2s
                   +0 :              -0.01178429259036
                3s
                   +0 :               0.00520197516039
                2p
                   -1 :               0.00681043255744
                   +0 :              -0.00052374039046
                   +1 :               0.00406640026841
                3p
                   -1 :              -0.00380359995461
                   +0 :              -0.00344458835628
                   +1 :              -0.00230980154104
                3d
                   -2 :               0.00026341828093
                   -1 :               0.00042762687032
                   +0 :              -0.00026083016499
                   +1 :               0.00050060182567
                   +2 :               0.00018112436187
              3 vec=     5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00152239754765
                2s
                   +0 :               0.00853648674357
                3s
                   +0 :              -0.00413186569003
                2p
                   -1 :              -0.00471311229951
                   +0 :              -0.00632691971038
                   +1 :               0.00734122189338
                3p
                   -1 :               0.00369176949210
                   +0 :               0.00156404734216
                   +1 :              -0.00526018279819
                3d
                   -2 :               0.00028059250249
                   -1 :               0.00036675979759
                   +0 :               0.00044519614887
                   +1 :              -0.00086017045410
                   +2 :              -0.00027258299898
              4 vec=   -10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00001548298459
                2s
                   +0 :              -0.00030351489068
                3s
                   +0 :              -0.00008237021336
                2p
                   -1 :              -0.00087762561004
                   +0 :              -0.00043069575771
                   +1 :               0.00107070193946
                3p
                   -1 :               0.00078462469015
                   +0 :              -0.00003071801783
                   +1 :              -0.00056402361109
                3d
                   -2 :              -0.00006763216972
                   -1 :              -0.00000111579440
                   +0 :               0.00003460846226
                   +1 :               0.00002064442154
                   +2 :               0.00005766652600
              5 vec=     5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00002598618555
                2s
                   +0 :               0.00060460343034
                3s
                   +0 :               0.00018150033615
                2p
                   -1 :               0.00131636521641
                   +0 :               0.00019433416191
                   +1 :               0.00066876978210
                3p
                   -1 :              -0.00061251193878
                   +0 :              -0.00055618527203
                   +1 :              -0.00024724135053
                3d
                   -2 :               0.00003020062003
                   -1 :              -0.00006641166605
                   +0 :               0.00011161780806
                   +1 :              -0.00009363718666
                   +2 :               0.00006166647723
              6 vec=     5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00018469225112
                2s
                   +0 :               0.00086235142018
                3s
                   +0 :              -0.00054627550401
                2p
                   -1 :              -0.00072811017035
                   +0 :               0.00021782221502
                   +1 :               0.00039787568444
                3p
                   -1 :               0.00072187924717
                   +0 :              -0.00050047413915
                   +1 :              -0.00044918926858
                3d
                   -2 :               0.00004102075143
                   -1 :               0.00004651085776
                   +0 :               0.00001831310616
                   +1 :              -0.00000364468972
                   +2 :               0.00006113250157
              7 vec=   -10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00002177059976
                2s
                   +0 :               0.00012156571142
                3s
                   +0 :              -0.00008310783308
                2p
                   -1 :              -0.00034816180174
                   +0 :              -0.00040813232372
                   +1 :               0.00001786877186
                3p
                   -1 :               0.00022775053043
                   +0 :               0.00027190782178
                   +1 :              -0.00001106660999
                3d
                   -2 :               0.00000896618096
                   -1 :               0.00000736546969
                   +0 :               0.00001113709059
                   +1 :               0.00001311777948
                   +2 :              -0.00000154133962
              8 vec=    -2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00006261353501
                2s
                   +0 :               0.00042317149194
                3s
                   +0 :              -0.00019626910826
                2p
                   -1 :               0.00047641167598
                   +0 :              -0.00016132721889
                   +1 :               0.00009393472521
                3p
                   -1 :              -0.00033969898807
                   +0 :               0.00004574851588
                   +1 :              -0.00005981735916
                3d
                   -2 :              -0.00000685614442
                   -1 :               0.00000863419707
                   +0 :              -0.00001575072880
                   +1 :              -0.00000157939702
                   +2 :               0.00001920852842
              9 vec=   -10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005370671794
                2s
                   +0 :              -0.00034616609552
                3s
                   +0 :               0.00013164330395
                2p
                   -1 :               0.00017651125652
                   +0 :               0.00014657938339
                   +1 :               0.00030251015114
                3p
                   -1 :              -0.00012092189421
                   +0 :              -0.00015665080330
                   +1 :              -0.00019012857924
                3d
                   -2 :               0.00000287034153
                   -1 :               0.00000448847447
                   +0 :              -0.00000491549443
                   +1 :              -0.00000213844447
                   +2 :              -0.00001090231533
             10 vec=    13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00001267222836
                2s
                   +0 :               0.00009978226524
                3s
                   +0 :              -0.00002743104893
                2p
                   -1 :               0.00018534734955
                   +0 :               0.00012936065615
                   +1 :              -0.00002827847444
                3p
                   -1 :              -0.00015764436047
                   +0 :              -0.00013377207343
                   +1 :               0.00005639457730
                3d
                   -2 :              -0.00001467555545
                   -1 :               0.00001029429574
                   +0 :              -0.00001958994009
                   +1 :              -0.00000409111093
                   +2 :               0.00000930092914
             11 vec=    -2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00002444291819
                2s
                   +0 :               0.00014356287072
                3s
                   +0 :              -0.00011903829133
                2p
                   -1 :              -0.00016271337993
                   +0 :              -0.00006288221793
                   +1 :              -0.00029100008188
                3p
                   -1 :               0.00016286265495
                   +0 :               0.00003593921974
                   +1 :               0.00020522615098
                3d
                   -2 :              -0.00000991583229
                   -1 :              -0.00000247508649
                   +0 :               0.00002333062828
                   +1 :               0.00001416287637
                   +2 :               0.00000500226249
             12 vec=    13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00000717328288
                2s
                   +0 :               0.00000214908191
                3s
                   +0 :              -0.00000533486714
                2p
                   -1 :              -0.00004106261998
                   +0 :               0.00006551124182
                   +1 :              -0.00000313729892
                3p
                   -1 :               0.00002754072276
                   +0 :              -0.00009557811934
                   +1 :              -0.00002171207829
                3d
                   -2 :              -0.00000692670904
                   -1 :               0.00000835228436
                   +0 :              -0.00000482411375
                   +1 :               0.00000262049171
                   +2 :               0.00000424578647
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 22)  npairs=  18
              1 vec=     3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00005116762566
                2s
                   +0 :               0.00011685268533
                3s
                   +0 :              -0.00016368082698
                2p
                   -1 :              -0.00012655441224
                   +0 :               0.00026796156758
                   +1 :               0.00015320717458
                3p
                   -1 :               0.00010702453789
                   +0 :              -0.00030557319455
                   +1 :               0.00000160644927
                3d
                   -2 :               0.00001099701407
                   -1 :              -0.00000568114049
                   +0 :               0.00001517197160
                   +1 :               0.00001769441108
                   +2 :              -0.00001078187480
              2 vec=     3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00007365164451
                2s
                   +0 :              -0.00020722533649
                3s
                   +0 :               0.00024650874983
                2p
                   -1 :               0.00017895658725
                   +0 :               0.00004263345351
                   +1 :              -0.00046887421788
                3p
                   -1 :              -0.00012114122310
                   +0 :              -0.00003186497256
                   +1 :               0.00038852836149
                3d
                   -2 :              -0.00002848487251
                   -1 :              -0.00003992410701
                   +0 :              -0.00001927508345
                   +1 :               0.00000759166902
                   +2 :              -0.00000400444874
              3 vec=    -4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00011870790708
                2s
                   +0 :              -0.00139659607232
                3s
                   +0 :               0.00019859379875
                2p
                   -1 :              -0.00006689764908
                   +0 :               0.00054969195580
                   +1 :               0.00015859656428
                3p
                   -1 :               0.00007018203132
                   +0 :               0.00016018894415
                   +1 :              -0.00006223690671
                3d
                   -2 :              -0.00002281817482
                   -1 :              -0.00001401645173
                   +0 :               0.00000054550657
                   +1 :               0.00000188181335
                   +2 :               0.00000443360576
              4 vec=    -4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00008923969943
                2s
                   +0 :               0.00114440403883
                3s
                   +0 :              -0.00012945457183
                2p
                   -1 :              -0.00025072788039
                   +0 :               0.00087330250985
                   +1 :              -0.00023851265040
                3p
                   -1 :               0.00025337502197
                   +0 :              -0.00001016433671
                   +1 :               0.00004202932838
                3d
                   -2 :               0.00002472211536
                   -1 :               0.00002562101617
                   +0 :               0.00000247014239
                   +1 :               0.00000796412549
                   +2 :              -0.00001244976310
              5 vec=    -4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00006937848817
                2s
                   +0 :              -0.00066746276067
                3s
                   +0 :               0.00017738110277
                2p
                   -1 :              -0.00006833919734
                   +0 :               0.00039290238701
                   +1 :               0.00057367554933
                3p
                   -1 :               0.00011466068360
                   +0 :              -0.00010041739258
                   +1 :              -0.00018689887304
                3d
                   -2 :              -0.00000697860157
                   -1 :              -0.00001137075007
                   +0 :               0.00000802321834
                   +1 :              -0.00001310159732
                   +2 :              -0.00000497860860
              6 vec=    -4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00007297499138
                2s
                   +0 :               0.00119668328337
                3s
                   +0 :              -0.00012861715395
                2p
                   -1 :              -0.00050829383394
                   +0 :               0.00122145865345
                   +1 :              -0.00099464813784
                3p
                   -1 :               0.00013676682631
                   +0 :              -0.00017300261966
                   +1 :               0.00010027696975
                3d
                   -2 :               0.00001344545397
                   -1 :              -0.00000573396445
                   +0 :               0.00002735991677
                   +1 :              -0.00002576255492
                   +2 :               0.00002095217964
              7 vec=     3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00008181442489
                2s
                   +0 :              -0.00130152737823
                3s
                   +0 :               0.00011126997693
                2p
                   -1 :              -0.00053216748591
                   +0 :               0.00074252569930
                   +1 :               0.00009977239163
                3p
                   -1 :               0.00003812158334
                   +0 :              -0.00007587311092
                   +1 :              -0.00005562392922
                3d
                   -2 :               0.00002093452604
                   -1 :               0.00001750999263
                   +0 :              -0.00000305202647
                   +1 :              -0.00003080936473
                   +2 :               0.00000849022270
              8 vec=     3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004362510443
                2s
                   +0 :               0.00043758370844
                3s
                   +0 :              -0.00008227676114
                2p
                   -1 :               0.00026045443101
                   +0 :               0.00030512925953
                   +1 :              -0.00045011601010
                3p
                   -1 :               0.00004396257297
                   +0 :              -0.00005467807088
                   +1 :               0.00025929516518
                3d
                   -2 :               0.00001107231049
                   -1 :               0.00002040174569
                   +0 :              -0.00002000680984
                   +1 :              -0.00000700739156
                   +2 :              -0.00001872573970
              9 vec=     3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002665840579
                2s
                   +0 :              -0.00023272656416
                3s
                   +0 :               0.00006882097345
                2p
                   -1 :               0.00010621779159
                   +0 :               0.00009344798544
                   +1 :              -0.00001693321357
                3p
                   -1 :              -0.00003428248247
                   +0 :              -0.00005184602032
                   +1 :              -0.00002452361440
                3d
                   -2 :               0.00000412119314
                   -1 :              -0.00000480578915
                   +0 :               0.00000085354149
                   +1 :               0.00000727412594
                   +2 :               0.00000636137137
             10 vec=     3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001699162026
                2s
                   +0 :               0.00014437234785
                3s
                   +0 :              -0.00006045805096
                2p
                   -1 :              -0.00014427840991
                   +0 :               0.00002452302003
                   +1 :               0.00004191189965
                3p
                   -1 :               0.00000817894020
                   +0 :              -0.00002075185408
                   +1 :               0.00000401646388
                3d
                   -2 :               0.00000076998223
                   -1 :               0.00000455522663
                   +0 :              -0.00000087984131
                   +1 :               0.00000322555544
                   +2 :               0.00000166190600
             11 vec=    10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001451043841
                2s
                   +0 :              -0.00006645252220
                3s
                   +0 :               0.00009359433703
                2p
                   -1 :              -0.00004525938033
                   +0 :               0.00009182244711
                   +1 :              -0.00000358945689
                3p
                   -1 :               0.00006114728215
                   +0 :              -0.00004684137200
                   +1 :               0.00002750598754
                3d
                   -2 :               0.00003059088775
                   -1 :              -0.00000872898012
                   +0 :              -0.00001917101047
                   +1 :              -0.00001725558234
                   +2 :               0.00002684987739
             12 vec=    10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000618807041
                2s
                   +0 :               0.00009911255831
                3s
                   +0 :              -0.00000752900002
                2p
                   -1 :               0.00016628993117
                   +0 :              -0.00000945178065
                   +1 :               0.00000341433827
                3p
                   -1 :              -0.00014972080278
                   +0 :               0.00002576776531
                   +1 :               0.00010012456121
                3d
                   -2 :              -0.00000247722339
                   -1 :              -0.00000627062905
                   +0 :              -0.00000305136294
                   +1 :               0.00000968130180
                   +2 :               0.00001810079043
             13 vec=    10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001981688477
                2s
                   +0 :              -0.00018606041706
                3s
                   +0 :               0.00005199225325
                2p
                   -1 :               0.00003601186148
                   +0 :               0.00007254861731
                   +1 :              -0.00012334508294
                3p
                   -1 :              -0.00001657468798
                   +0 :              -0.00004242783698
                   +1 :               0.00004148250625
                3d
                   -2 :               0.00000184185112
                   -1 :               0.00000013682285
                   +0 :               0.00000070258914
                   +1 :              -0.00000361958011
                   +2 :               0.00000395244964
             14 vec=    10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002661613971
                2s
                   +0 :               0.00022878231301
                3s
                   +0 :              -0.00006828837541
                2p
                   -1 :              -0.00010556166849
                   +0 :               0.00006412318646
                   +1 :               0.00011656095390
                3p
                   -1 :               0.00006140326183
                   +0 :              -0.00004131634965
                   +1 :              -0.00001895487741
                3d
                   -2 :               0.00000364449773
                   -1 :               0.00000443082341
                   +0 :               0.00000032157612
                   +1 :              -0.00000180892292
                   +2 :               0.00000771456762
             15 vec=   -12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000802514255
                2s
                   +0 :              -0.00008539760537
                3s
                   +0 :               0.00002952693147
                2p
                   -1 :               0.00005380318300
                   +0 :              -0.00000482789961
                   +1 :               0.00008823824244
                3p
                   -1 :              -0.00006410021582
                   +0 :               0.00000239824188
                   +1 :              -0.00005321115775
                3d
                   -2 :               0.00000494381863
                   -1 :               0.00000597124902
                   +0 :              -0.00000223494448
                   +1 :               0.00000454411521
                   +2 :               0.00000425196512
             16 vec=   -12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001845087029
                2s
                   +0 :               0.00012358646812
                3s
                   +0 :              -0.00006086266607
                2p
                   -1 :               0.00006418614134
                   +0 :               0.00002796521394
                   +1 :              -0.00013705259295
                3p
                   -1 :              -0.00001351044678
                   +0 :              -0.00003266479046
                   +1 :               0.00008131797006
                3d
                   -2 :               0.00000013085013
                   -1 :              -0.00000265932792
                   +0 :              -0.00000405397151
                   +1 :               0.00000478835047
                   +2 :              -0.00000347423808
             17 vec=    -4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000827166036
                2s
                   +0 :              -0.00003044837179
                3s
                   +0 :               0.00004628949699
                2p
                   -1 :              -0.00008472818204
                   +0 :               0.00014010170138
                   +1 :               0.00005396108122
                3p
                   -1 :               0.00010121858816
                   +0 :              -0.00009650525773
                   +1 :              -0.00003924207027
                3d
                   -2 :               0.00000330950944
                   -1 :              -0.00000312501673
                   +0 :               0.00000459437450
                   +1 :              -0.00000094482706
                   +2 :              -0.00000112944204
             18 vec=    -4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000903889804
                2s
                   +0 :               0.00009453665506
                3s
                   +0 :              -0.00004192772306
                2p
                   -1 :               0.00008763011471
                   +0 :               0.00001059952343
                   +1 :               0.00005354297854
                3p
                   -1 :              -0.00006125097488
                   +0 :              -0.00000769119187
                   +1 :              -0.00006784926203
                3d
                   -2 :              -0.00000165379325
                   -1 :              -0.00000919402599
                   +0 :               0.00000509709620
                   +1 :              -0.00000013993502
                   +2 :               0.00000609989931
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 23)  npairs=  14
              1 vec=    -0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003137310368
                2s
                   +0 :              -0.00035453481948
                3s
                   +0 :              -0.00014727894107
                2p
                   -1 :               0.00059110270296
                   +0 :               0.00005687913809
                   +1 :               0.00030925523621
                3p
                   -1 :              -0.00020216964828
                   +0 :              -0.00004167497053
                   +1 :              -0.00025782209263
                3d
                   -2 :              -0.00003122314065
                   -1 :               0.00001382991013
                   +0 :               0.00001759146689
                   +1 :               0.00001578254775
                   +2 :               0.00001189795781
              2 vec=    -0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00012020431974
                2s
                   +0 :              -0.00039083141572
                3s
                   +0 :               0.00043727949298
                2p
                   -1 :              -0.00060423658045
                   +0 :              -0.00068697717114
                   +1 :              -0.00019356380159
                3p
                   -1 :               0.00058795248602
                   +0 :               0.00071523943433
                   +1 :               0.00010238173516
                3d
                   -2 :              -0.00000087849210
                   -1 :               0.00002571644408
                   +0 :               0.00000144793238
                   +1 :               0.00001897105545
                   +2 :               0.00000587950272
              3 vec=    -0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00004235517745
                2s
                   +0 :              -0.00094594359948
                3s
                   +0 :              -0.00012716955339
                2p
                   -1 :              -0.00013532304150
                   +0 :               0.00035446420330
                   +1 :              -0.00023749143370
                3p
                   -1 :               0.00021538634337
                   +0 :               0.00035571033663
                   +1 :               0.00010191273209
                3d
                   -2 :               0.00002001105164
                   -1 :              -0.00003368172460
                   +0 :              -0.00006016806867
                   +1 :               0.00000417274044
                   +2 :               0.00002344601592
              4 vec=    -0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00007232944954
                2s
                   +0 :               0.00121984628912
                3s
                   +0 :              -0.00005359791005
                2p
                   -1 :              -0.00030766252901
                   +0 :               0.00096289980143
                   +1 :              -0.00002793163848
                3p
                   -1 :               0.00000071114080
                   +0 :              -0.00001989877661
                   +1 :               0.00021990691591
                3d
                   -2 :              -0.00002862157618
                   -1 :              -0.00002910052176
                   +0 :               0.00002591714273
                   +1 :               0.00004521830109
                   +2 :               0.00002180022883
              5 vec=     7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003705751259
                2s
                   +0 :              -0.00047657477285
                3s
                   +0 :               0.00002251887563
                2p
                   -1 :               0.00031434074816
                   +0 :               0.00027646841505
                   +1 :               0.00008907220046
                3p
                   -1 :              -0.00005907690577
                   +0 :              -0.00007906545613
                   +1 :              -0.00012478440124
                3d
                   -2 :              -0.00000171513849
                   -1 :              -0.00002960558298
                   +0 :               0.00000709212099
                   +1 :              -0.00001017175153
                   +2 :               0.00001236455914
              6 vec=     7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00005337144023
                2s
                   +0 :               0.00040816704627
                3s
                   +0 :              -0.00011057878508
                2p
                   -1 :               0.00008148559910
                   +0 :               0.00013942889533
                   +1 :               0.00016946782091
                3p
                   -1 :              -0.00024143859625
                   +0 :              -0.00004316066226
                   +1 :              -0.00005283643247
                3d
                   -2 :              -0.00001516714649
                   -1 :              -0.00002175424995
                   +0 :              -0.00002220235005
                   +1 :              -0.00001660402694
                   +2 :              -0.00002626231550
              7 vec=    -7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006198769409
                2s
                   +0 :              -0.00057464111833
                3s
                   +0 :               0.00019447702952
                2p
                   -1 :               0.00029434757071
                   +0 :               0.00033041499696
                   +1 :              -0.00011814471514
                3p
                   -1 :              -0.00008303604953
                   +0 :              -0.00025319389072
                   +1 :               0.00014969039300
                3d
                   -2 :              -0.00000459234490
                   -1 :              -0.00002456091258
                   +0 :               0.00001644548418
                   +1 :              -0.00000203040233
                   +2 :              -0.00000498100640
              8 vec=    -7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003886599524
                2s
                   +0 :               0.00050552122882
                3s
                   +0 :              -0.00001650426156
                2p
                   -1 :              -0.00022499424687
                   +0 :              -0.00008035524968
                   +1 :              -0.00012246368504
                3p
                   -1 :              -0.00001269433529
                   +0 :               0.00027701317096
                   +1 :              -0.00008929212693
                3d
                   -2 :               0.00002567866589
                   -1 :              -0.00002050546718
                   +0 :               0.00002314560541
                   +1 :              -0.00001325141543
                   +2 :              -0.00001305308319
              9 vec=     7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002401216930
                2s
                   +0 :              -0.00021457710951
                3s
                   +0 :               0.00006230865274
                2p
                   -1 :              -0.00014096155629
                   +0 :               0.00012841336236
                   +1 :              -0.00018381571676
                3p
                   -1 :               0.00004693421304
                   +0 :              -0.00004004198141
                   +1 :               0.00006689658670
                3d
                   -2 :               0.00000593338846
                   -1 :               0.00000059598570
                   +0 :               0.00000553833375
                   +1 :              -0.00000272404345
                   +2 :              -0.00000099098130
             10 vec=     7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000598195656
                2s
                   +0 :              -0.00001217088280
                3s
                   +0 :               0.00000775915359
                2p
                   -1 :               0.00000359212491
                   +0 :              -0.00004868718226
                   +1 :               0.00020323915590
                3p
                   -1 :               0.00005623223895
                   +0 :               0.00008047376934
                   +1 :              -0.00013733084088
                3d
                   -2 :              -0.00000246591305
                   -1 :               0.00000579977846
                   +0 :               0.00000835712016
                   +1 :              -0.00001316844309
                   +2 :              -0.00001255039253
             11 vec=    -7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000277898298
                2s
                   +0 :              -0.00001883696941
                3s
                   +0 :              -0.00001843329320
                2p
                   -1 :              -0.00012668489293
                   +0 :               0.00003039522741
                   +1 :               0.00002832689126
                3p
                   -1 :               0.00000237984851
                   +0 :               0.00006687092953
                   +1 :               0.00005331832720
                3d
                   -2 :               0.00000867011228
                   -1 :               0.00000490350517
                   +0 :              -0.00002191178607
                   +1 :              -0.00000766091940
                   +2 :               0.00001068014312
             12 vec=    -7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001301907470
                2s
                   +0 :               0.00010891009440
                3s
                   +0 :              -0.00003831046911
                2p
                   -1 :               0.00015886530959
                   +0 :               0.00011914250783
                   +1 :              -0.00016300826789
                3p
                   -1 :              -0.00004121366994
                   +0 :              -0.00004599015297
                   +1 :               0.00008002866641
                3d
                   -2 :               0.00000077724557
                   -1 :               0.00000019796754
                   +0 :               0.00001766922221
                   +1 :               0.00000417300374
                   +2 :               0.00000362974558
             13 vec=    -0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000401800624
                2s
                   +0 :               0.00000049124976
                3s
                   +0 :              -0.00003572456083
                2p
                   -1 :              -0.00014752782088
                   +0 :              -0.00005016763319
                   +1 :               0.00006173779758
                3p
                   -1 :              -0.00003190160280
                   +0 :               0.00007501858152
                   +1 :              -0.00000648751363
                3d
                   -2 :               0.00000222814444
                   -1 :               0.00001723582252
                   +0 :              -0.00000329625710
                   +1 :               0.00000287130551
                   +2 :               0.00001109339193
             14 vec=    -0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000032578294
                2s
                   +0 :               0.00002389329247
                3s
                   +0 :              -0.00000362119017
                2p
                   -1 :               0.00017473887020
                   +0 :               0.00001904848412
                   +1 :               0.00002550497890
                3p
                   -1 :              -0.00007368031408
                   +0 :              -0.00000853268363
                   +1 :              -0.00000465812077
                3d
                   -2 :              -0.00000757698970
                   -1 :              -0.00000956814596
                   +0 :               0.00000062990879
                   +1 :               0.00000182976467
                   +2 :               0.00000094730553
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 24)  npairs=  14
              1 vec=    -2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005536344053
                2s
                   +0 :              -0.00004236289868
                3s
                   +0 :              -0.00027580378705
                2p
                   -1 :              -0.00040337300304
                   +0 :              -0.00071923987328
                   +1 :              -0.00017909877275
                3p
                   -1 :               0.00027453521808
                   +0 :               0.00067058708721
                   +1 :               0.00026684323211
                3d
                   -2 :               0.00000589821078
                   -1 :              -0.00004529999314
                   +0 :              -0.00000047259911
                   +1 :              -0.00001958989231
                   +2 :               0.00002274289476
              2 vec=    -2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005721351532
                2s
                   +0 :               0.00015050088732
                3s
                   +0 :               0.00015586088676
                2p
                   -1 :               0.00065805625363
                   +0 :               0.00012229072587
                   +1 :               0.00024724918586
                3p
                   -1 :              -0.00042605839342
                   +0 :              -0.00007717654768
                   +1 :              -0.00001973761401
                3d
                   -2 :               0.00001102987116
                   -1 :              -0.00000153835786
                   +0 :              -0.00001429143884
                   +1 :              -0.00000591313925
                   +2 :              -0.00004772314117
              3 vec=     5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00007681206103
                2s
                   +0 :              -0.00121360175975
                3s
                   +0 :               0.00005371607146
                2p
                   -1 :               0.00026396687544
                   +0 :               0.00066080507157
                   +1 :              -0.00052365640596
                3p
                   -1 :              -0.00003464494442
                   +0 :               0.00021191852381
                   +1 :               0.00008327435039
                3d
                   -2 :               0.00003697729739
                   -1 :              -0.00002240315969
                   +0 :              -0.00002924193823
                   +1 :               0.00002048218239
                   +2 :              -0.00001220468641
              4 vec=     5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00010310337358
                2s
                   +0 :               0.00130486193485
                3s
                   +0 :              -0.00007850871373
                2p
                   -1 :              -0.00004084926550
                   +0 :               0.00111473009930
                   +1 :               0.00106982645719
                3p
                   -1 :              -0.00003528834642
                   +0 :               0.00002177643084
                   +1 :              -0.00051305302695
                3d
                   -2 :              -0.00002387807747
                   -1 :               0.00000384698725
                   +0 :               0.00008031059742
                   +1 :               0.00001466986385
                   +2 :               0.00001074511120
              5 vec=     5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00005655644224
                2s
                   +0 :              -0.00045485454675
                3s
                   +0 :               0.00011452411322
                2p
                   -1 :               0.00004505783427
                   +0 :               0.00021843245559
                   +1 :              -0.00008068254356
                3p
                   -1 :              -0.00003585368246
                   +0 :              -0.00009776371235
                   +1 :              -0.00011625017601
                3d
                   -2 :              -0.00001348028390
                   -1 :               0.00002629360827
                   +0 :               0.00002353300888
                   +1 :               0.00001830355388
                   +2 :              -0.00001237099929
              6 vec=     5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00004852947825
                2s
                   +0 :               0.00059226637691
                3s
                   +0 :              -0.00008059477469
                2p
                   -1 :               0.00005289704272
                   +0 :               0.00049375629370
                   +1 :               0.00067238060871
                3p
                   -1 :              -0.00004991235573
                   +0 :              -0.00015347435794
                   +1 :              -0.00017256445335
                3d
                   -2 :               0.00000061853284
                   -1 :               0.00000420196484
                   +0 :              -0.00000112897508
                   +1 :               0.00001222768170
                   +2 :               0.00000236591367
              7 vec=    -2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002208659397
                2s
                   +0 :              -0.00030713066582
                3s
                   +0 :               0.00000233374837
                2p
                   -1 :              -0.00013951393822
                   +0 :              -0.00016821173384
                   +1 :              -0.00020851798268
                3p
                   -1 :               0.00000468166986
                   +0 :               0.00020857889648
                   +1 :               0.00009486811548
                3d
                   -2 :              -0.00004703909788
                   -1 :              -0.00001479683092
                   +0 :              -0.00001599516807
                   +1 :               0.00004376488756
                   +2 :              -0.00000622793199
              8 vec=    -2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003941935363
                2s
                   +0 :               0.00046588304276
                3s
                   +0 :              -0.00014118264468
                2p
                   -1 :               0.00015414261125
                   +0 :               0.00024431446123
                   +1 :               0.00007397752803
                3p
                   -1 :               0.00006283249178
                   +0 :              -0.00017107190110
                   +1 :               0.00008029227957
                3d
                   -2 :               0.00000016132875
                   -1 :               0.00002224966194
                   +0 :              -0.00002174894647
                   +1 :               0.00001045854881
                   +2 :              -0.00000407948548
              9 vec=    -2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002714027073
                2s
                   +0 :              -0.00023352282109
                3s
                   +0 :               0.00006785274999
                2p
                   -1 :               0.00016074095419
                   +0 :               0.00000809926428
                   +1 :              -0.00008298535604
                3p
                   -1 :              -0.00007667218122
                   +0 :               0.00005544347168
                   +1 :               0.00009640666891
                3d
                   -2 :              -0.00001284774761
                   -1 :               0.00000180499376
                   +0 :               0.00000027719075
                   +1 :              -0.00001190816218
                   +2 :              -0.00000495808797
             10 vec=    -2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000231844399
                2s
                   +0 :              -0.00000947470836
                3s
                   +0 :               0.00001230362027
                2p
                   -1 :              -0.00013262252417
                   +0 :               0.00006593084160
                   +1 :               0.00004453167312
                3p
                   -1 :               0.00003701783189
                   +0 :              -0.00002894673544
                   +1 :              -0.00003754083601
                3d
                   -2 :               0.00000091074246
                   -1 :               0.00000590607080
                   +0 :              -0.00000602707410
                   +1 :              -0.00000316593120
                   +2 :               0.00000405901857
             11 vec=   -10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001160245615
                2s
                   +0 :               0.00011806984447
                3s
                   +0 :              -0.00000696004378
                2p
                   -1 :               0.00005804206739
                   +0 :               0.00003410207104
                   +1 :              -0.00015585577787
                3p
                   -1 :               0.00008345328046
                   +0 :               0.00003700818792
                   +1 :               0.00007234852906
                3d
                   -2 :              -0.00002913850175
                   -1 :              -0.00000924716912
                   +0 :              -0.00003353857024
                   +1 :               0.00000065700306
                   +2 :              -0.00000633801553
             12 vec=   -10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000200081009
                2s
                   +0 :               0.00001518426772
                3s
                   +0 :               0.00003197347867
                2p
                   -1 :              -0.00015013256965
                   +0 :              -0.00008955689353
                   +1 :              -0.00004120819900
                3p
                   -1 :               0.00012389976240
                   +0 :               0.00012339480690
                   +1 :              -0.00005498707216
                3d
                   -2 :               0.00000269672491
                   -1 :               0.00000222034806
                   +0 :               0.00001566226661
                   +1 :              -0.00000488869675
                   +2 :               0.00001745117092
             13 vec=   -10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000782082480
                2s
                   +0 :              -0.00011311848885
                3s
                   +0 :               0.00002251284723
                2p
                   -1 :               0.00011190852760
                   +0 :               0.00000657353492
                   +1 :               0.00015690547065
                3p
                   -1 :              -0.00008180021245
                   +0 :              -0.00001683361136
                   +1 :              -0.00008813831906
                3d
                   -2 :               0.00000529099623
                   -1 :               0.00000323946684
                   +0 :               0.00000282704594
                   +1 :               0.00000994528342
                   +2 :              -0.00000402432278
             14 vec=   -10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000665591692
                2s
                   +0 :               0.00011200838532
                3s
                   +0 :               0.00002270084838
                2p
                   -1 :              -0.00001546946612
                   +0 :              -0.00011563313512
                   +1 :              -0.00013473012438
                3p
                   -1 :              -0.00002808137501
                   +0 :               0.00009626680345
                   +1 :              -0.00003261057464
                3d
                   -2 :               0.00000269079240
                   -1 :              -0.00000794910054
                   +0 :              -0.00000147931372
                   +1 :              -0.00000435437645
                   +2 :               0.00001389681851
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 25)  npairs=  15
              1 vec=     5.186256      0.000299      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00017649026340
                2s
                   +0 :               0.00150595834359
                3s
                   +0 :               0.00013019325763
                2p
                   -1 :               0.00206826989889
                   +0 :               0.00056176847694
                   +1 :              -0.00074795121188
                3p
                   -1 :              -0.00050873758940
                   +0 :               0.00101712483199
                   +1 :               0.00159058452037
                3d
                   -2 :               0.00004429498631
                   -1 :               0.00014605570693
                   +0 :               0.00004620318141
                   +1 :               0.00018550257669
                   +2 :               0.00000192190321
              2 vec=    -2.593906     -4.491580      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00056879844534
                2s
                   +0 :               0.00546589584732
                3s
                   +0 :              -0.00087425808572
                2p
                   -1 :              -0.00439328754755
                   +0 :               0.00748358752739
                   +1 :               0.00068580272531
                3p
                   -1 :               0.00076166687048
                   +0 :              -0.00139907997416
                   +1 :              -0.00041645844419
                3d
                   -2 :              -0.00005794974469
                   -1 :              -0.00029853183667
                   +0 :               0.00018361462010
                   +1 :              -0.00001437836803
                   +2 :              -0.00018301940176
              3 vec=    -2.593906      4.492178      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00031855971523
                2s
                   +0 :               0.00314026827445
                3s
                   +0 :              -0.00053602906353
                2p
                   -1 :               0.00008279192858
                   +0 :               0.00241681057317
                   +1 :              -0.00246961906788
                3p
                   -1 :               0.00007383145470
                   +0 :              -0.00048801393175
                   +1 :              -0.00016149302641
                3d
                   -2 :              -0.00003351654769
                   -1 :               0.00002377018808
                   +0 :              -0.00000154913728
                   +1 :              -0.00018603405005
                   +2 :               0.00010467237938
              4 vec=     5.186256     -8.983459      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00001232234931
                2s
                   +0 :               0.00040008147309
                3s
                   +0 :              -0.00004278901753
                2p
                   -1 :              -0.00002077740736
                   +0 :              -0.00040080894197
                   +1 :               0.00039324875482
                3p
                   -1 :              -0.00011448647936
                   +0 :               0.00015987203069
                   +1 :              -0.00013852066952
                3d
                   -2 :              -0.00002667223512
                   -1 :              -0.00000476885807
                   +0 :              -0.00003354640457
                   +1 :              -0.00002323300335
                   +2 :              -0.00001288884517
              5 vec=     5.186256      8.984057      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000086375951
                2s
                   +0 :               0.00014287850765
                3s
                   +0 :               0.00005164485330
                2p
                   -1 :               0.00029206456196
                   +0 :              -0.00041449633681
                   +1 :              -0.00014165016327
                3p
                   -1 :              -0.00017729251911
                   +0 :               0.00037485813354
                   +1 :               0.00003530308359
                3d
                   -2 :              -0.00000674718078
                   -1 :              -0.00000727216134
                   +0 :               0.00002915939167
                   +1 :               0.00002187850061
                   +2 :               0.00000807666197
              6 vec=   -10.374069      0.000299      8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00001556537710
                2s
                   +0 :               0.00003843864776
                3s
                   +0 :               0.00003464752306
                2p
                   -1 :               0.00041895823025
                   +0 :              -0.00038543564214
                   +1 :              -0.00033978045874
                3p
                   -1 :              -0.00052992917253
                   +0 :               0.00017487364307
                   +1 :               0.00022398043733
                3d
                   -2 :               0.00000672377620
                   -1 :              -0.00002532450625
                   +0 :               0.00002773858422
                   +1 :               0.00002291604292
                   +2 :              -0.00003664080074
              7 vec=    12.966419     -4.491580      8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00000438801690
                2s
                   +0 :               0.00008376284567
                3s
                   +0 :              -0.00000485148932
                2p
                   -1 :               0.00005651458157
                   +0 :               0.00000780770377
                   +1 :               0.00023439908087
                3p
                   -1 :              -0.00005051201298
                   +0 :               0.00000352796871
                   +1 :              -0.00014925794983
                3d
                   -2 :              -0.00000273618206
                   -1 :              -0.00000259449618
                   +0 :              -0.00000012518518
                   +1 :               0.00000079765912
                   +2 :              -0.00000667428225
              8 vec=    12.966419      4.492178      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001833651238
                2s
                   +0 :               0.00019324649801
                3s
                   +0 :              -0.00005597043504
                2p
                   -1 :               0.00012974877997
                   +0 :               0.00015687237363
                   +1 :               0.00010809651994
                3p
                   -1 :              -0.00011719598776
                   +0 :              -0.00012068752186
                   +1 :               0.00000415527572
                3d
                   -2 :              -0.00002187607213
                   -1 :              -0.00000331626793
                   +0 :              -0.00000690143555
                   +1 :              -0.00002139391891
                   +2 :               0.00000370369035
              9 vec=    -2.593906    -13.475338      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000265606837
                2s
                   +0 :              -0.00002027705891
                3s
                   +0 :               0.00003241632182
                2p
                   -1 :              -0.00009575457586
                   +0 :              -0.00007400790389
                   +1 :              -0.00004388708050
                3p
                   -1 :               0.00003727523126
                   +0 :               0.00005276673876
                   +1 :               0.00001032855313
                3d
                   -2 :              -0.00000031633359
                   -1 :               0.00000009353914
                   +0 :               0.00001048192527
                   +1 :              -0.00000353129260
                   +2 :              -0.00000398690670
             10 vec=   -10.374069     -8.983459      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000622058222
                2s
                   +0 :               0.00003691820997
                3s
                   +0 :              -0.00001164285332
                2p
                   -1 :               0.00001681561940
                   +0 :              -0.00002404762146
                   +1 :              -0.00011650032664
                3p
                   -1 :              -0.00002304167560
                   +0 :               0.00000292819633
                   +1 :               0.00008012135037
                3d
                   -2 :               0.00000026569183
                   -1 :               0.00000033229852
                   +0 :              -0.00000055704716
                   +1 :               0.00000532866278
                   +2 :              -0.00000062225598
             11 vec=    -2.593906     13.475936      8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00001092904175
                2s
                   +0 :              -0.00001784629780
                3s
                   +0 :               0.00002846086652
                2p
                   -1 :              -0.00006236531668
                   +0 :               0.00010561046363
                   +1 :              -0.00001732391627
                3p
                   -1 :               0.00008444835250
                   +0 :              -0.00007614057640
                   +1 :              -0.00000531142882
                3d
                   -2 :              -0.00000000250137
                   -1 :              -0.00000612378031
                   +0 :              -0.00000000887186
                   +1 :               0.00000437486277
                   +2 :               0.00000242864324
             12 vec=   -10.374069      8.984057      8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00002765238140
                2s
                   +0 :              -0.00015046503178
                3s
                   +0 :               0.00011496326817
                2p
                   -1 :              -0.00009438277846
                   +0 :              -0.00000760007702
                   +1 :               0.00020492099310
                3p
                   -1 :               0.00015584555531
                   +0 :               0.00002223412307
                   +1 :              -0.00019421511749
                3d
                   -2 :              -0.00001612938489
                   -1 :               0.00001596463945
                   +0 :              -0.00002515848430
                   +1 :              -0.00000282249189
                   +2 :              -0.00000947034813
             13 vec=     5.186256      0.000299    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000472024149
                2s
                   +0 :              -0.00006251943772
                3s
                   +0 :              -0.00001759098338
                2p
                   -1 :               0.00019405218864
                   +0 :              -0.00000920542857
                   +1 :               0.00004854189084
                3p
                   -1 :              -0.00008841796115
                   +0 :               0.00010568606672
                   +1 :              -0.00004028025895
                3d
                   -2 :              -0.00000557313442
                   -1 :              -0.00000000874031
                   +0 :              -0.00000511535919
                   +1 :              -0.00000251206921
                   +2 :              -0.00000141747066
             14 vec=    -2.593906     -4.491580    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003741878909
                2s
                   +0 :              -0.00028133147195
                3s
                   +0 :               0.00009954407006
                2p
                   -1 :               0.00001264577626
                   +0 :               0.00013264739444
                   +1 :              -0.00005474811290
                3p
                   -1 :              -0.00001700201953
                   +0 :              -0.00003872846530
                   +1 :               0.00008265476758
                3d
                   -2 :              -0.00000777395463
                   -1 :               0.00000324291653
                   +0 :               0.00000888066715
                   +1 :              -0.00001009498369
                   +2 :              -0.00000234086438
             15 vec=    -2.593906      4.492178    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001662627992
                2s
                   +0 :              -0.00019976583051
                3s
                   +0 :               0.00001530036697
                2p
                   -1 :               0.00002884508553
                   +0 :               0.00014299481986
                   +1 :              -0.00009882731782
                3p
                   -1 :              -0.00007965483134
                   +0 :               0.00000468611289
                   +1 :               0.00008873606291
                3d
                   -2 :               0.00000318580869
                   -1 :               0.00000796423611
                   +0 :               0.00000027797340
                   +1 :              -0.00000084583765
                   +2 :               0.00000069959656
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 26)  npairs=  14
              1 vec=     0.419091      0.000299      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00033878600830
                2s
                   +0 :               0.00029050761805
                3s
                   +0 :              -0.00126949941713
                2p
                   -1 :               0.00226583763525
                   +0 :               0.00391129478835
                   +1 :               0.00061916917815
                3p
                   -1 :              -0.00123971156321
                   +0 :              -0.00371218653186
                   +1 :              -0.00046954991916
                3d
                   -2 :               0.00009635695251
                   -1 :               0.00013911689426
                   +0 :              -0.00075666478205
                   +1 :               0.00002172043589
                   +2 :               0.00007298528866
              2 vec=    -7.361071     -4.491580      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00005307426860
                2s
                   +0 :              -0.00013793212788
                3s
                   +0 :               0.00014568762337
                2p
                   -1 :               0.00001767255027
                   +0 :               0.00050379958213
                   +1 :              -0.00061123966977
                3p
                   -1 :              -0.00010077204585
                   +0 :              -0.00040426210394
                   +1 :               0.00037685620665
                3d
                   -2 :               0.00000492270066
                   -1 :              -0.00003012843230
                   +0 :              -0.00004211792420
                   +1 :               0.00003344987379
                   +2 :              -0.00004936154694
              3 vec=    -7.361071      4.492178      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00024726899065
                2s
                   +0 :              -0.00105221158938
                3s
                   +0 :               0.00084352478229
                2p
                   -1 :               0.00022348526486
                   +0 :              -0.00122839512004
                   +1 :              -0.00157164618084
                3p
                   -1 :               0.00003232530942
                   +0 :               0.00095532249294
                   +1 :               0.00095270037935
                3d
                   -2 :               0.00004601718102
                   -1 :              -0.00004210365525
                   +0 :               0.00004946634856
                   +1 :               0.00001428777127
                   +2 :              -0.00001993191487
              4 vec=     0.419091     -8.983459      8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00002140538166
                2s
                   +0 :               0.00039366685316
                3s
                   +0 :               0.00014180047560
                2p
                   -1 :              -0.00015659094579
                   +0 :              -0.00047940390837
                   +1 :               0.00008135792813
                3p
                   -1 :              -0.00025558998007
                   +0 :               0.00012151628735
                   +1 :              -0.00005875097066
                3d
                   -2 :               0.00001298608381
                   -1 :              -0.00001919127985
                   +0 :              -0.00004095992968
                   +1 :              -0.00001140146651
                   +2 :              -0.00002659180933
              5 vec=     0.419091      8.984057      8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00006366748592
                2s
                   +0 :               0.00046716218930
                3s
                   +0 :              -0.00026719228376
                2p
                   -1 :               0.00084415754799
                   +0 :              -0.00014060988168
                   +1 :               0.00034071398890
                3p
                   -1 :              -0.00038182446195
                   +0 :               0.00005237104549
                   +1 :              -0.00031775034729
                3d
                   -2 :               0.00000815132044
                   -1 :              -0.00001517789399
                   +0 :               0.00002392045123
                   +1 :              -0.00000560812359
                   +2 :               0.00003626819057
              6 vec=     8.199254     -4.491580      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00002724827904
                2s
                   +0 :               0.00028527235493
                3s
                   +0 :              -0.00006103765963
                2p
                   -1 :              -0.00067492695305
                   +0 :              -0.00040592779654
                   +1 :               0.00052361073694
                3p
                   -1 :               0.00045513801699
                   +0 :               0.00044046005167
                   +1 :              -0.00022221834167
                3d
                   -2 :               0.00003448535732
                   -1 :              -0.00001965717737
                   +0 :               0.00006143170764
                   +1 :               0.00000592820194
                   +2 :              -0.00001795073830
              7 vec=     8.199254      4.492178      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00000777850618
                2s
                   +0 :               0.00055129888606
                3s
                   +0 :              -0.00002955505508
                2p
                   -1 :               0.00050637950485
                   +0 :               0.00065258576225
                   +1 :               0.00073177861945
                3p
                   -1 :              -0.00028068667965
                   +0 :              -0.00061301618223
                   +1 :              -0.00026322809681
                3d
                   -2 :              -0.00000234817081
                   -1 :              -0.00000478375408
                   +0 :              -0.00001163186492
                   +1 :              -0.00000778713107
                   +2 :               0.00003787911632
              8 vec=     0.419091      0.000299    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00000144225792
                2s
                   +0 :              -0.00002143979773
                3s
                   +0 :              -0.00004396165305
                2p
                   -1 :              -0.00009730062229
                   +0 :               0.00002246251411
                   +1 :              -0.00006907414481
                3p
                   -1 :               0.00010842232139
                   +0 :               0.00005975529774
                   +1 :               0.00003934115348
                3d
                   -2 :               0.00000901661293
                   -1 :              -0.00000326660442
                   +0 :              -0.00001625810427
                   +1 :              -0.00000385598066
                   +2 :               0.00000594602053
              9 vec=   -15.141234      0.000299      8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00000747287905
                2s
                   +0 :              -0.00004396911836
                3s
                   +0 :               0.00005659727738
                2p
                   -1 :               0.00004364367649
                   +0 :               0.00006120316405
                   +1 :              -0.00004919191258
                3p
                   -1 :              -0.00004462771403
                   +0 :              -0.00004160100283
                   +1 :               0.00000035178473
                3d
                   -2 :               0.00000322224214
                   -1 :              -0.00000455589893
                   +0 :              -0.00000802024127
                   +1 :               0.00000469010475
                   +2 :               0.00000391768866
             10 vec=    -7.361071    -13.475338      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00001551430422
                2s
                   +0 :               0.00013714215068
                3s
                   +0 :              -0.00002872686516
                2p
                   -1 :              -0.00011590057683
                   +0 :               0.00000073199296
                   +1 :              -0.00008072831882
                3p
                   -1 :               0.00002862442143
                   +0 :               0.00002916856311
                   +1 :               0.00005209953653
                3d
                   -2 :              -0.00000222403590
                   -1 :              -0.00000234538541
                   +0 :               0.00000114780745
                   +1 :              -0.00000041169901
                   +2 :              -0.00000457453715
             11 vec=    -7.361071     13.475936      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000679522527
                2s
                   +0 :               0.00007557048309
                3s
                   +0 :              -0.00000979799697
                2p
                   -1 :              -0.00005436902041
                   +0 :               0.00003010150038
                   +1 :              -0.00008722802747
                3p
                   -1 :               0.00007745840522
                   +0 :               0.00000907116731
                   +1 :               0.00004414002609
                3d
                   -2 :              -0.00000222150562
                   -1 :               0.00000518425896
                   +0 :              -0.00000547242470
                   +1 :              -0.00000431423847
                   +2 :              -0.00000500757261
             12 vec=     8.199254    -13.475338      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000122780678
                2s
                   +0 :               0.00004264228243
                3s
                   +0 :               0.00001848207011
                2p
                   -1 :              -0.00003231858309
                   +0 :               0.00003060546211
                   +1 :               0.00000298857587
                3p
                   -1 :              -0.00002974418954
                   +0 :               0.00000995268782
                   +1 :               0.00001456448784
                3d
                   -2 :              -0.00000063877910
                   -1 :              -0.00000852715372
                   +0 :               0.00000331318669
                   +1 :              -0.00000056785128
                   +2 :              -0.00000627718489
             13 vec=     8.199254     13.475936      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00001343695912
                2s
                   +0 :               0.00009911381183
                3s
                   +0 :              -0.00002089106446
                2p
                   -1 :               0.00002062883931
                   +0 :               0.00002089113178
                   +1 :              -0.00000125920763
                3p
                   -1 :              -0.00000521696664
                   +0 :               0.00002896135144
                   +1 :               0.00003841380257
                3d
                   -2 :               0.00000140582105
                   -1 :              -0.00000119223804
                   +0 :               0.00000210271262
                   +1 :               0.00000203917313
                   +2 :               0.00000097337644
             14 vec=    15.979417      0.000299      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000382698641
                2s
                   +0 :               0.00000337475054
                3s
                   +0 :               0.00001368665931
                2p
                   -1 :               0.00003386307276
                   +0 :               0.00004445651868
                   +1 :              -0.00000453597889
                3p
                   -1 :              -0.00002262606129
                   +0 :              -0.00003279501486
                   +1 :               0.00002804513298
                3d
                   -2 :               0.00000295808616
                   -1 :              -0.00000237204820
                   +0 :              -0.00000156847369
                   +1 :              -0.00000170110505
                   +2 :              -0.00000218110759
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 27)  npairs=  15
              1 vec=     2.802674      4.128785      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00028919278030
                2s
                   +0 :               0.00332156833867
                3s
                   +0 :              -0.00015495241768
                2p
                   -1 :              -0.00164265931087
                   +0 :               0.00363930668844
                   +1 :               0.00424058514653
                3p
                   -1 :               0.00144492360210
                   +0 :              -0.00035407715256
                   +1 :              -0.00099641502224
                3d
                   -2 :              -0.00003599282278
                   -1 :               0.00010855721878
                   +0 :               0.00002005544069
                   +1 :               0.00006521274951
                   +2 :               0.00008524297179
              2 vec=    -4.977489     -0.363094      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00032284006923
                2s
                   +0 :               0.00245692444262
                3s
                   +0 :              -0.00033482994099
                2p
                   -1 :               0.00050912561260
                   +0 :               0.00348543557580
                   +1 :              -0.00122770859821
                3p
                   -1 :               0.00124905019844
                   +0 :              -0.00056879224997
                   +1 :              -0.00057441996807
                3d
                   -2 :              -0.00016454683016
                   -1 :               0.00027886035881
                   +0 :               0.00013837070586
                   +1 :              -0.00020664351162
                   +2 :               0.00005179667762
              3 vec=     2.802674     -4.854973      8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00028192899076
                2s
                   +0 :               0.00270230968746
                3s
                   +0 :              -0.00003826414189
                2p
                   -1 :              -0.00268539844640
                   +0 :               0.00143206415625
                   +1 :              -0.00044420842246
                3p
                   -1 :               0.00033068675219
                   +0 :               0.00098777615849
                   +1 :               0.00024122959119
                3d
                   -2 :               0.00005506433381
                   -1 :              -0.00013915900849
                   +0 :               0.00011905082701
                   +1 :              -0.00014097741578
                   +2 :              -0.00005403377176
              4 vec=    -4.977489      8.620664      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00011949832849
                2s
                   +0 :               0.00101943563540
                3s
                   +0 :              -0.00047277045302
                2p
                   -1 :               0.00056212184383
                   +0 :              -0.00016713994977
                   +1 :              -0.00028364947602
                3p
                   -1 :              -0.00029445424758
                   +0 :              -0.00006806524406
                   +1 :               0.00044486815374
                3d
                   -2 :               0.00005079635374
                   -1 :              -0.00004321872715
                   +0 :               0.00000146505349
                   +1 :               0.00006672880672
                   +2 :              -0.00002156900729
              5 vec=    10.582837     -0.363094      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00000977478990
                2s
                   +0 :               0.00019326557247
                3s
                   +0 :              -0.00000844279809
                2p
                   -1 :              -0.00025726029965
                   +0 :              -0.00024936084899
                   +1 :               0.00003984691880
                3p
                   -1 :               0.00015743285413
                   +0 :               0.00020163348371
                   +1 :               0.00002793860179
                3d
                   -2 :               0.00001892152908
                   -1 :              -0.00000657482930
                   +0 :               0.00004077845875
                   +1 :              -0.00000578012348
                   +2 :              -0.00001383058189
              6 vec=    -4.977489     -9.346852      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00004653296718
                2s
                   +0 :               0.00057802287204
                3s
                   +0 :              -0.00007601442793
                2p
                   -1 :              -0.00018628347662
                   +0 :               0.00002378649913
                   +1 :              -0.00020514840944
                3p
                   -1 :              -0.00004600879268
                   +0 :              -0.00006726720308
                   +1 :              -0.00003203368837
                3d
                   -2 :               0.00001232809370
                   -1 :               0.00002020035885
                   +0 :              -0.00001160984598
                   +1 :              -0.00001682361016
                   +2 :              -0.00000271451047
              7 vec=     2.802674     13.112543      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00000975665584
                2s
                   +0 :               0.00012636622067
                3s
                   +0 :              -0.00001796165503
                2p
                   -1 :               0.00022251171094
                   +0 :               0.00009663509580
                   +1 :               0.00005539348225
                3p
                   -1 :              -0.00011493232739
                   +0 :              -0.00004762689288
                   +1 :              -0.00001528558656
                3d
                   -2 :               0.00000067181762
                   -1 :               0.00000103957243
                   +0 :              -0.00000997445730
                   +1 :              -0.00000597591631
                   +2 :               0.00000523311196
              8 vec=   -12.757651      4.128785      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00003263242741
                2s
                   +0 :              -0.00019222602840
                3s
                   +0 :               0.00015135701523
                2p
                   -1 :              -0.00023940624712
                   +0 :              -0.00013003965748
                   +1 :               0.00018345728385
                3p
                   -1 :               0.00017278784879
                   +0 :               0.00013547941137
                   +1 :              -0.00023399992520
                3d
                   -2 :               0.00000819154629
                   -1 :               0.00000275757244
                   +0 :               0.00000350391053
                   +1 :              -0.00001585274451
                   +2 :               0.00000688828479
              9 vec=    10.582837      8.620664      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00002060626643
                2s
                   +0 :              -0.00009860390180
                3s
                   +0 :               0.00009227421253
                2p
                   -1 :               0.00002471552587
                   +0 :               0.00009399491029
                   +1 :               0.00000962027446
                3p
                   -1 :               0.00006236674365
                   +0 :              -0.00006439429702
                   +1 :               0.00000518462836
                3d
                   -2 :               0.00000616616399
                   -1 :              -0.00000894601635
                   +0 :               0.00000366290039
                   +1 :              -0.00000820541502
                   +2 :              -0.00000499895850
             10 vec=   -12.757651     -4.854973      8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00000724127103
                2s
                   +0 :               0.00005623473173
                3s
                   +0 :              -0.00001418453436
                2p
                   -1 :              -0.00009367362136
                   +0 :              -0.00004417664759
                   +1 :               0.00001577287689
                3p
                   -1 :               0.00009664246695
                   +0 :               0.00002906796073
                   +1 :              -0.00001951388095
                3d
                   -2 :              -0.00000413104285
                   -1 :              -0.00000387423061
                   +0 :               0.00000295504316
                   +1 :               0.00000021131367
                   +2 :               0.00000454317411
             11 vec=    10.582837     -9.346852      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000906021722
                2s
                   +0 :               0.00006649468545
                3s
                   +0 :               0.00000318035994
                2p
                   -1 :              -0.00004858030672
                   +0 :              -0.00004557924870
                   +1 :               0.00008186557402
                3p
                   -1 :               0.00000506454798
                   +0 :               0.00004574429608
                   +1 :              -0.00004354704700
                3d
                   -2 :              -0.00000272727924
                   -1 :               0.00000022955339
                   +0 :              -0.00000029003832
                   +1 :               0.00000286227497
                   +2 :              -0.00000531957937
             12 vec=     2.802674    -13.838731      8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000477046982
                2s
                   +0 :              -0.00001424832014
                3s
                   +0 :               0.00002995372715
                2p
                   -1 :              -0.00005337239256
                   +0 :              -0.00012786309224
                   +1 :              -0.00000608674649
                3p
                   -1 :              -0.00001042148749
                   +0 :               0.00011669832060
                   +1 :               0.00002750729490
                3d
                   -2 :              -0.00000327654553
                   -1 :              -0.00000443000365
                   +0 :               0.00000734540061
                   +1 :               0.00000626200075
                   +2 :               0.00000022770328
             13 vec=     2.802674      4.128785    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00004030246397
                2s
                   +0 :              -0.00033665874829
                3s
                   +0 :               0.00008963080471
                2p
                   -1 :              -0.00002260955879
                   +0 :               0.00026551389624
                   +1 :               0.00012121534872
                3p
                   -1 :               0.00002727092998
                   +0 :              -0.00011270295084
                   +1 :              -0.00007803274361
                3d
                   -2 :               0.00000366737921
                   -1 :              -0.00000588404513
                   +0 :               0.00000516169786
                   +1 :               0.00000059957523
                   +2 :              -0.00000182602430
             14 vec=    -4.977489     -0.363094    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00003000865255
                2s
                   +0 :              -0.00024182331560
                3s
                   +0 :               0.00006264473523
                2p
                   -1 :               0.00006611921233
                   +0 :               0.00028190941109
                   +1 :               0.00021158014260
                3p
                   -1 :              -0.00001087956658
                   +0 :              -0.00015293379977
                   +1 :              -0.00014684016673
                3d
                   -2 :              -0.00000941682943
                   -1 :              -0.00000232329278
                   +0 :               0.00000117565700
                   +1 :               0.00000775018806
                   +2 :              -0.00000212952390
             15 vec=     2.802674     -4.854973    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00001143565663
                2s
                   +0 :              -0.00012644691299
                3s
                   +0 :               0.00000467445712
                2p
                   -1 :              -0.00007038240097
                   +0 :               0.00006286464034
                   +1 :              -0.00007871410163
                3p
                   -1 :               0.00004503178291
                   +0 :               0.00005329838882
                   +1 :              -0.00000112977021
                3d
                   -2 :              -0.00000256287241
                   -1 :              -0.00000188368099
                   +0 :              -0.00000626546369
                   +1 :               0.00000468018889
                   +2 :               0.00000037259000
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 28)  npairs=  14
              1 vec=     0.418573      2.752923     -4.091257   |vec|=    4.948957
                1s
                   +0 :               0.00265202506192
                2s
                   +0 :              -0.08131849105135
                3s
                   +0 :               0.00477765288219
                2p
                   -1 :              -0.03631186665886
                   +0 :               0.04398080407614
                   +1 :              -0.00741590627896
                3p
                   -1 :               0.00466830964831
                   +0 :              -0.00608857418800
                   +1 :               0.00040446254060
                3d
                   -2 :              -0.00083631098812
                   -1 :               0.00162267358307
                   +0 :              -0.00098066225447
                   +1 :               0.00030602323518
                   +2 :               0.00200286797186
              2 vec=     0.418573     -6.230835     -4.091257   |vec|=    7.465715
                1s
                   +0 :               0.00040405113256
                2s
                   +0 :              -0.00302309442980
                3s
                   +0 :               0.00145708143328
                2p
                   -1 :               0.00322908642573
                   +0 :               0.00192548346050
                   +1 :               0.00187305104942
                3p
                   -1 :              -0.00155588062255
                   +0 :              -0.00077365282291
                   +1 :              -0.00171137408513
                3d
                   -2 :              -0.00004778905045
                   -1 :               0.00010889129139
                   +0 :              -0.00039641495950
                   +1 :               0.00008190572102
                   +2 :              -0.00022190383723
              3 vec=    -7.361590     -1.738956     -4.091257   |vec|=    8.599730
                1s
                   +0 :               0.00024992071326
                2s
                   +0 :              -0.00110350516997
                3s
                   +0 :               0.00085784359921
                2p
                   -1 :              -0.00052197372902
                   +0 :              -0.00350640206313
                   +1 :               0.00309665291148
                3p
                   -1 :              -0.00110274539965
                   +0 :               0.00057992484476
                   +1 :              -0.00168804031627
                3d
                   -2 :               0.00019150241835
                   -1 :               0.00009313175151
                   +0 :               0.00000831924744
                   +1 :               0.00025629832384
                   +2 :              -0.00006226048487
              4 vec=     8.198735     -1.738956     -4.091257   |vec|=    9.326393
                1s
                   +0 :               0.00024023360889
                2s
                   +0 :              -0.00169695420835
                3s
                   +0 :               0.00055609308843
                2p
                   -1 :               0.00031569612642
                   +0 :               0.00038303148794
                   +1 :              -0.00253590121790
                3p
                   -1 :              -0.00060079467216
                   +0 :              -0.00122866914663
                   +1 :               0.00082500311000
                3d
                   -2 :              -0.00003232074411
                   -1 :               0.00002883984025
                   +0 :               0.00001501970861
                   +1 :              -0.00015650646695
                   +2 :              -0.00005878963290
              5 vec=    -7.361590      7.244802     -4.091257   |vec|=   11.109390
                1s
                   +0 :              -0.00017428412139
                2s
                   +0 :               0.00073007154467
                3s
                   +0 :              -0.00040354547657
                2p
                   -1 :              -0.00131603446791
                   +0 :               0.00091326337417
                   +1 :               0.00005897424433
                3p
                   -1 :               0.00104697679210
                   +0 :              -0.00101273030887
                   +1 :               0.00000161829317
                3d
                   -2 :              -0.00011375574024
                   -1 :              -0.00005478026817
                   +0 :              -0.00007991999772
                   +1 :               0.00000373494272
                   +2 :              -0.00006069372586
              6 vec=     8.198735      7.244802     -4.091257   |vec|=   11.680959
                1s
                   +0 :               0.00005011566676
                2s
                   +0 :              -0.00028811939018
                3s
                   +0 :               0.00006631717365
                2p
                   -1 :              -0.00001964321279
                   +0 :               0.00007331813790
                   +1 :              -0.00054251428894
                3p
                   -1 :               0.00011090257926
                   +0 :              -0.00016430638254
                   +1 :               0.00053637926929
                3d
                   -2 :               0.00001732723341
                   -1 :               0.00002220177833
                   +0 :               0.00000652582716
                   +1 :               0.00002709621423
                   +2 :              -0.00000965500845
              7 vec=     0.418573     11.736681     -4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00001895736367
                2s
                   +0 :              -0.00031223966306
                3s
                   +0 :               0.00003775609634
                2p
                   -1 :              -0.00024327368781
                   +0 :               0.00004721980543
                   +1 :               0.00050003846609
                3p
                   -1 :               0.00018198509526
                   +0 :               0.00003595035819
                   +1 :              -0.00022763532466
                3d
                   -2 :               0.00001121765039
                   -1 :              -0.00001995887319
                   +0 :              -0.00002433223438
                   +1 :              -0.00000430988875
                   +2 :              -0.00000178029558
              8 vec=    -7.361590    -10.722714     -4.091257   |vec|=   13.634808
                1s
                   +0 :              -0.00000220576506
                2s
                   +0 :              -0.00027353461249
                3s
                   +0 :              -0.00017139788869
                2p
                   -1 :               0.00027894746549
                   +0 :               0.00002910791740
                   +1 :              -0.00018214198205
                3p
                   -1 :               0.00021239782598
                   +0 :               0.00007934041279
                   +1 :               0.00037358096561
                3d
                   -2 :              -0.00005519838857
                   -1 :              -0.00002089940893
                   +0 :               0.00001256377626
                   +1 :              -0.00001993440950
                   +2 :               0.00001870469598
              9 vec=     8.198735    -10.722714     -4.091257   |vec|=   14.104405
                1s
                   +0 :              -0.00000015012005
                2s
                   +0 :              -0.00010527787452
                3s
                   +0 :              -0.00005788282971
                2p
                   -1 :               0.00005413681404
                   +0 :              -0.00005403304837
                   +1 :               0.00010842756347
                3p
                   -1 :               0.00011069435937
                   +0 :               0.00004405186616
                   +1 :              -0.00018906441448
                3d
                   -2 :               0.00002320287656
                   -1 :              -0.00001747215091
                   +0 :               0.00002868008588
                   +1 :              -0.00000801173921
                   +2 :               0.00000321686519
             10 vec=     0.418573    -15.214593     -4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000260738644
                2s
                   +0 :              -0.00004722081767
                3s
                   +0 :              -0.00000431146746
                2p
                   -1 :               0.00003844131574
                   +0 :               0.00001334223225
                   +1 :               0.00006925335627
                3p
                   -1 :               0.00003909032444
                   +0 :              -0.00000703143548
                   +1 :              -0.00008030432311
                3d
                   -2 :               0.00000524983456
                   -1 :               0.00000333067887
                   +0 :              -0.00000194698167
                   +1 :              -0.00000126493322
                   +2 :              -0.00000281710620
             11 vec=   -15.141753      2.752923     -4.091257   |vec|=   15.924498
                1s
                   +0 :               0.00005989992025
                2s
                   +0 :              -0.00037888098193
                3s
                   +0 :               0.00016407114520
                2p
                   -1 :              -0.00004038768085
                   +0 :               0.00017775556081
                   +1 :               0.00012754346471
                3p
                   -1 :               0.00000427621112
                   +0 :              -0.00017127289913
                   +1 :              -0.00005409798630
                3d
                   -2 :               0.00000420744328
                   -1 :              -0.00000137088912
                   +0 :               0.00001029274418
                   +1 :               0.00002587835851
                   +2 :               0.00000617337396
             12 vec=    15.978898      2.752923     -4.091257   |vec|=   16.722504
                1s
                   +0 :              -0.00002360860332
                2s
                   +0 :               0.00015117900775
                3s
                   +0 :              -0.00008223397706
                2p
                   -1 :              -0.00003287570702
                   +0 :              -0.00006726913198
                   +1 :               0.00003318223380
                3p
                   -1 :               0.00000038658885
                   +0 :               0.00004360106906
                   +1 :              -0.00002453278976
                3d
                   -2 :               0.00000241584011
                   -1 :               0.00000275705452
                   +0 :               0.00000188410098
                   +1 :               0.00000089344426
                   +2 :              -0.00000241481106
             13 vec=   -15.141753     -6.230835     -4.091257   |vec|=   16.877036
                1s
                   +0 :               0.00000923661988
                2s
                   +0 :              -0.00007762524004
                3s
                   +0 :               0.00001569687899
                2p
                   -1 :              -0.00002876238921
                   +0 :              -0.00006358440225
                   +1 :               0.00003915311360
                3p
                   -1 :               0.00004969345380
                   +0 :               0.00004682086524
                   +1 :              -0.00000104429370
                3d
                   -2 :              -0.00000933587064
                   -1 :               0.00000069159856
                   +0 :              -0.00000053743377
                   +1 :              -0.00001015807980
                   +2 :              -0.00000302273950
             14 vec=    15.978898     -6.230835     -4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00000445716465
                2s
                   +0 :              -0.00004147374843
                3s
                   +0 :               0.00000778753974
                2p
                   -1 :               0.00005346534960
                   +0 :              -0.00001316386625
                   +1 :               0.00000213445763
                3p
                   -1 :              -0.00002214887364
                   +0 :               0.00000602704702
                   +1 :              -0.00000864004660
                3d
                   -2 :               0.00000250882040
                   -1 :               0.00000015751808
                   +0 :              -0.00000033132510
                   +1 :              -0.00000000793824
                   +2 :               0.00000518744826
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 29)  npairs=  14
              1 vec=    -2.593388     -1.738956     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00231003929541
                2s
                   +0 :              -0.05969282702663
                3s
                   +0 :               0.00342530240209
                2p
                   -1 :               0.01124388355717
                   +0 :               0.02395479252520
                   +1 :               0.02311515918153
                3p
                   -1 :               0.00442074524165
                   +0 :               0.00297408278673
                   +1 :              -0.00148609756635
                3d
                   -2 :              -0.00096884780206
                   -1 :              -0.00120874725577
                   +0 :              -0.00148449050867
                   +1 :              -0.00293882771575
                   +2 :              -0.00047493851924
              2 vec=     5.186775      2.752923     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00009932214403
                2s
                   +0 :               0.00160617639705
                3s
                   +0 :              -0.00051446560602
                2p
                   -1 :              -0.00066739365323
                   +0 :               0.00167310074511
                   +1 :               0.00051588969150
                3p
                   -1 :               0.00017608432187
                   +0 :              -0.00124549203228
                   +1 :              -0.00120640081217
                3d
                   -2 :               0.00009124595266
                   -1 :              -0.00014041412771
                   +0 :               0.00032252139873
                   +1 :              -0.00012683289502
                   +2 :               0.00003511372389
              3 vec=    -2.593388      7.244802     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00027150780577
                2s
                   +0 :               0.00279774361710
                3s
                   +0 :              -0.00099279391776
                2p
                   -1 :               0.00189033827961
                   +0 :              -0.00340414449932
                   +1 :               0.00189305313708
                3p
                   -1 :              -0.00124482633961
                   +0 :               0.00079254215925
                   +1 :              -0.00047864613131
                3d
                   -2 :               0.00009138470479
                   -1 :              -0.00003651276521
                   +0 :               0.00010352932502
                   +1 :               0.00021190033867
                   +2 :              -0.00001161253738
              4 vec=     5.186775     -6.230835     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00013670928705
                2s
                   +0 :               0.00065813134887
                3s
                   +0 :              -0.00054733737644
                2p
                   -1 :               0.00166107632180
                   +0 :              -0.00109320514253
                   +1 :              -0.00203492231548
                3p
                   -1 :              -0.00036327655747
                   +0 :               0.00004594460410
                   +1 :               0.00185041875127
                3d
                   -2 :              -0.00004071421699
                   -1 :               0.00011033548262
                   +0 :              -0.00001313801568
                   +1 :              -0.00008738714566
                   +2 :               0.00015542490911
              5 vec=   -10.373550      2.752923     -4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00024369287736
                2s
                   +0 :               0.00129951968600
                3s
                   +0 :              -0.00080556942812
                2p
                   -1 :              -0.00046098471576
                   +0 :               0.00052467937580
                   +1 :              -0.00110952086808
                3p
                   -1 :               0.00035317410868
                   +0 :              -0.00052975921660
                   +1 :               0.00110385587252
                3d
                   -2 :              -0.00004112532833
                   -1 :               0.00000124507196
                   +0 :               0.00004560749910
                   +1 :               0.00002924621319
                   +2 :              -0.00006253691783
              6 vec=    -2.593388    -10.722714     -4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00002601806306
                2s
                   +0 :              -0.00003330527630
                3s
                   +0 :              -0.00014342784693
                2p
                   -1 :               0.00023075150323
                   +0 :              -0.00014656493848
                   +1 :               0.00002699333266
                3p
                   -1 :               0.00000088236455
                   +0 :               0.00006551721116
                   +1 :              -0.00006771030927
                3d
                   -2 :              -0.00000582763941
                   -1 :               0.00000079728626
                   +0 :               0.00001976236172
                   +1 :               0.00000414494830
                   +2 :               0.00000885047156
              7 vec=   -10.373550     -6.230835     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00001612581349
                2s
                   +0 :              -0.00004608269131
                3s
                   +0 :              -0.00012741136589
                2p
                   -1 :              -0.00039495246774
                   +0 :              -0.00006023735176
                   +1 :              -0.00012077909382
                3p
                   -1 :               0.00025125590610
                   +0 :               0.00017703240167
                   +1 :               0.00020453567981
                3d
                   -2 :              -0.00000157061118
                   -1 :               0.00002260434266
                   +0 :               0.00004119138708
                   +1 :              -0.00002550241692
                   +2 :               0.00000515700146
              8 vec=     5.186775     11.736681     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00007367350367
                2s
                   +0 :              -0.00082969962642
                3s
                   +0 :               0.00018073096272
                2p
                   -1 :              -0.00066563150495
                   +0 :              -0.00017495712436
                   +1 :              -0.00049492466273
                3p
                   -1 :               0.00020086390784
                   +0 :               0.00010810129614
                   +1 :               0.00019636502656
                3d
                   -2 :              -0.00000364385608
                   -1 :               0.00000644202782
                   +0 :               0.00001836194761
                   +1 :               0.00002105057365
                   +2 :               0.00003546931574
              9 vec=    12.966938     -1.738956     -4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00002047879030
                2s
                   +0 :              -0.00015070009153
                3s
                   +0 :              -0.00014833582373
                2p
                   -1 :              -0.00003960903533
                   +0 :               0.00004525147902
                   +1 :              -0.00047987518656
                3p
                   -1 :               0.00000659964013
                   +0 :              -0.00007235721659
                   +1 :               0.00010336534851
                3d
                   -2 :               0.00000324625144
                   -1 :               0.00001564345463
                   +0 :               0.00000932871006
                   +1 :              -0.00002851674209
                   +2 :              -0.00002081442154
             10 vec=    12.966938      7.244802     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00004576589004
                2s
                   +0 :               0.00026157579707
                3s
                   +0 :              -0.00013258704616
                2p
                   -1 :               0.00011711116772
                   +0 :              -0.00000329861263
                   +1 :               0.00009774933998
                3p
                   -1 :              -0.00011049686318
                   +0 :              -0.00000887210424
                   +1 :              -0.00009597750504
                3d
                   -2 :              -0.00001022369308
                   -1 :               0.00000314601242
                   +0 :              -0.00000271328212
                   +1 :               0.00000077290295
                   +2 :              -0.00000041559908
             11 vec=   -10.373550     11.736681     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00000577497462
                2s
                   +0 :               0.00002664374827
                3s
                   +0 :              -0.00005636530426
                2p
                   -1 :               0.00021414758853
                   +0 :              -0.00004214673694
                   +1 :              -0.00003852065145
                3p
                   -1 :              -0.00026190288199
                   +0 :               0.00002897493647
                   +1 :               0.00006436580828
                3d
                   -2 :               0.00001988760828
                   -1 :               0.00000596157390
                   +0 :               0.00000746966224
                   +1 :              -0.00000181834199
                   +2 :               0.00002050368055
             12 vec=     5.186775    -15.214593     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00000330342215
                2s
                   +0 :               0.00000513250629
                3s
                   +0 :              -0.00002278227489
                2p
                   -1 :              -0.00013060506045
                   +0 :              -0.00004010791172
                   +1 :              -0.00005189758280
                3p
                   -1 :               0.00014827556501
                   +0 :               0.00001493243475
                   +1 :               0.00002605786338
                3d
                   -2 :               0.00000512516081
                   -1 :               0.00000062744848
                   +0 :               0.00000826835278
                   +1 :               0.00000167264100
                   +2 :               0.00000638397312
             13 vec=    -2.593388     16.228560     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00000918508721
                2s
                   +0 :              -0.00006706573080
                3s
                   +0 :               0.00002997727298
                2p
                   -1 :              -0.00004450353128
                   +0 :               0.00004349858537
                   +1 :              -0.00004617565677
                3p
                   -1 :               0.00000109049460
                   +0 :              -0.00004776228462
                   +1 :               0.00004436848287
                3d
                   -2 :               0.00000456486193
                   -1 :              -0.00000692923162
                   +0 :               0.00000526009375
                   +1 :              -0.00000463259906
                   +2 :              -0.00000484689480
             14 vec=    12.966938    -10.722714     -4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00000124219261
                2s
                   +0 :              -0.00000581922979
                3s
                   +0 :              -0.00001398851883
                2p
                   -1 :              -0.00003165415322
                   +0 :              -0.00005010823646
                   +1 :              -0.00006188620886
                3p
                   -1 :               0.00003827929600
                   +0 :               0.00002954532933
                   +1 :               0.00002866812769
                3d
                   -2 :               0.00000290524429
                   -1 :              -0.00000033590118
                   +0 :              -0.00000307703373
                   +1 :              -0.00000187589181
                   +2 :              -0.00000317722230
WF             site_B          number of pairs
WF( 25)=[O_7_2pz]  to site O ( 30)  npairs=  14
              1 vec=     2.802674     -1.376461     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00243694406765
                2s
                   +0 :              -0.05268369920601
                3s
                   +0 :               0.00374481066985
                2p
                   -1 :               0.00716952490480
                   +0 :               0.02527425343994
                   +1 :              -0.02432279320213
                3p
                   -1 :               0.00213657001538
                   +0 :              -0.00026453240916
                   +1 :               0.00277962795365
                3d
                   -2 :               0.00073222319170
                   -1 :              -0.00076380021460
                   +0 :              -0.00097379837838
                   +1 :               0.00290624279715
                   +2 :              -0.00114030530163
              2 vec=    -4.977489      3.115418     -4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00226763717447
                2s
                   +0 :              -0.01625165221175
                3s
                   +0 :               0.00758630438413
                2p
                   -1 :              -0.00860793212736
                   +0 :               0.00575111748138
                   +1 :               0.01248697058107
                3p
                   -1 :               0.00593918347193
                   +0 :              -0.00449782456433
                   +1 :              -0.00907592560248
                3d
                   -2 :              -0.00068290470901
                   -1 :              -0.00027878880535
                   +0 :              -0.00036635531299
                   +1 :               0.00043508804717
                   +2 :               0.00033500319933
              3 vec=    -4.977489     -5.868340     -4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00009082117999
                2s
                   +0 :              -0.00079218181144
                3s
                   +0 :              -0.00004467741038
                2p
                   -1 :               0.00521311169095
                   +0 :              -0.00261007691683
                   +1 :               0.00143463266760
                3p
                   -1 :              -0.00201056605702
                   +0 :               0.00052485236801
                   +1 :              -0.00046890496763
                3d
                   -2 :              -0.00005875186621
                   -1 :               0.00009212306207
                   +0 :               0.00012929749230
                   +1 :               0.00010115260180
                   +2 :               0.00004656853112
              4 vec=     2.802674      7.607297     -4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00014793117011
                2s
                   +0 :              -0.00101566455115
                3s
                   +0 :               0.00012120235135
                2p
                   -1 :              -0.00111069293252
                   +0 :              -0.00188742997040
                   +1 :              -0.00198353543585
                3p
                   -1 :              -0.00084146445481
                   +0 :               0.00052782895251
                   +1 :               0.00033037755759
                3d
                   -2 :              -0.00012513628926
                   -1 :              -0.00003561121973
                   +0 :               0.00014496214964
                   +1 :              -0.00000302591004
                   +2 :               0.00016953269479
              5 vec=     2.802674    -10.360219     -4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00004482089396
                2s
                   +0 :              -0.00059034487023
                3s
                   +0 :               0.00018237212478
                2p
                   -1 :               0.00030057079914
                   +0 :              -0.00019155165382
                   +1 :              -0.00077250252643
                3p
                   -1 :              -0.00008744122249
                   +0 :               0.00010749366998
                   +1 :               0.00071346192297
                3d
                   -2 :              -0.00006861263823
                   -1 :               0.00001594687507
                   +0 :              -0.00004651679582
                   +1 :              -0.00003404505268
                   +2 :              -0.00002077068162
              6 vec=    10.582837      3.115418     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00008228643497
                2s
                   +0 :              -0.00055301248931
                3s
                   +0 :               0.00026884367068
                2p
                   -1 :              -0.00078652462994
                   +0 :              -0.00030963840951
                   +1 :              -0.00053362983450
                3p
                   -1 :               0.00067415734811
                   +0 :               0.00014667766655
                   +1 :               0.00055400246238
                3d
                   -2 :               0.00002658915128
                   -1 :              -0.00001087129781
                   +0 :              -0.00003320492294
                   +1 :              -0.00000719495397
                   +2 :               0.00006027420326
              7 vec=    10.582837     -5.868340     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00000760379519
                2s
                   +0 :              -0.00010154085529
                3s
                   +0 :              -0.00002763223737
                2p
                   -1 :              -0.00001909816325
                   +0 :               0.00030212101555
                   +1 :               0.00016843430012
                3p
                   -1 :               0.00011388056130
                   +0 :              -0.00015682961668
                   +1 :              -0.00018305794702
                3d
                   -2 :              -0.00003282174862
                   -1 :               0.00003308358250
                   +0 :               0.00000546174179
                   +1 :              -0.00000875229102
                   +2 :               0.00000108921418
              8 vec=   -12.757651     -1.376461     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00002073585836
                2s
                   +0 :              -0.00039407416918
                3s
                   +0 :              -0.00005158096832
                2p
                   -1 :               0.00012622262360
                   +0 :               0.00008465031200
                   +1 :               0.00013429488288
                3p
                   -1 :              -0.00008588868540
                   +0 :              -0.00007364278370
                   +1 :               0.00021141439044
                3d
                   -2 :              -0.00000163070200
                   -1 :              -0.00001031131786
                   +0 :               0.00002453886700
                   +1 :               0.00001823315512
                   +2 :              -0.00004465659074
              9 vec=    -4.977489     12.099176     -4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00000436168676
                2s
                   +0 :              -0.00010782635018
                3s
                   +0 :              -0.00002222786340
                2p
                   -1 :              -0.00019983644275
                   +0 :              -0.00017529752832
                   +1 :              -0.00016136163915
                3p
                   -1 :               0.00009463313339
                   +0 :               0.00011740182532
                   +1 :               0.00013786247528
                3d
                   -2 :              -0.00001524554989
                   -1 :               0.00000078704889
                   +0 :               0.00000356485997
                   +1 :              -0.00000631606827
                   +2 :              -0.00000694823653
             10 vec=   -12.757651      7.607297     -4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00003045019462
                2s
                   +0 :              -0.00019722051516
                3s
                   +0 :               0.00004826424355
                2p
                   -1 :              -0.00014104791496
                   +0 :               0.00009388814848
                   +1 :               0.00017847992062
                3p
                   -1 :               0.00006213006453
                   +0 :              -0.00008522945320
                   +1 :              -0.00008246959987
                3d
                   -2 :               0.00001823352005
                   -1 :              -0.00001001954785
                   +0 :               0.00001238031954
                   +1 :               0.00000144394841
                   +2 :              -0.00000150970615
             11 vec=    -4.977489    -14.852098     -4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00000677804599
                2s
                   +0 :              -0.00005269648227
                3s
                   +0 :              -0.00001035010633
                2p
                   -1 :               0.00002562867370
                   +0 :              -0.00002317978334
                   +1 :              -0.00000036439338
                3p
                   -1 :               0.00003364273171
                   +0 :               0.00001041037354
                   +1 :              -0.00000730718984
                3d
                   -2 :               0.00000799978607
                   -1 :              -0.00000627116239
                   +0 :               0.00001022189290
                   +1 :               0.00000354271084
                   +2 :               0.00000139246681
             12 vec=    10.582837     12.099176     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00001811529345
                2s
                   +0 :               0.00011588290552
                3s
                   +0 :              -0.00005495175284
                2p
                   -1 :               0.00012102022507
                   +0 :               0.00002754613813
                   +1 :               0.00001210925657
                3p
                   -1 :              -0.00009165070489
                   +0 :              -0.00004526965501
                   +1 :              -0.00001819431989
                3d
                   -2 :              -0.00000180050589
                   -1 :               0.00000105225806
                   +0 :               0.00000549547494
                   +1 :              -0.00000252788219
                   +2 :               0.00000057991729
             13 vec=   -12.757651    -10.360219     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00000218747595
                2s
                   +0 :              -0.00001714358267
                3s
                   +0 :               0.00000142053996
                2p
                   -1 :               0.00003660216339
                   +0 :              -0.00008020346574
                   +1 :              -0.00002993711712
                3p
                   -1 :              -0.00004097348886
                   +0 :               0.00006350039049
                   +1 :               0.00004037963486
                3d
                   -2 :              -0.00000458838814
                   -1 :               0.00000335853798
                   +0 :              -0.00000433409712
                   +1 :              -0.00000156640551
                   +2 :              -0.00000022193729
             14 vec=     2.802674     16.591055     -4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000409214179
                2s
                   +0 :              -0.00002743710752
                3s
                   +0 :               0.00000726486270
                2p
                   -1 :              -0.00002689953501
                   +0 :               0.00004125384121
                   +1 :               0.00006960451835
                3p
                   -1 :               0.00000720161687
                   +0 :              -0.00005972193206
                   +1 :              -0.00002451655234
                3d
                   -2 :               0.00000000182886
                   -1 :              -0.00000023258321
                   +0 :               0.00000197081228
                   +1 :               0.00000022777352
                   +2 :              -0.00000187365108
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al(  1)  npairs=  14
              1 vec=     0.209286     -3.115418     -5.671791   |vec|=    6.474477
                2s
                   +0 :               0.00019018698731
                2p
                   -1 :               0.00008253786147
                   +0 :              -0.00036124932594
                   +1 :               0.00074729877308
                3s
                   +0 :              -0.00110481213070
                4s
                   +0 :               0.00176597270219
                3p
                   -1 :               0.00071819762800
                   +0 :               0.00327788063339
                   +1 :              -0.00405336987763
                4p
                   -1 :              -0.00097438579047
                   +0 :              -0.00125845825156
                   +1 :               0.00087101002558
                3d
                   -2 :              -0.00116365216996
                   -1 :              -0.00028334917933
                   +0 :              -0.00025373815628
                   +1 :              -0.00219756318471
                   +2 :               0.00058875953029
              2 vec=     0.209286      5.868340     -5.671791   |vec|=    8.163972
                2s
                   +0 :               0.00045585513373
                2p
                   -1 :              -0.00002758467803
                   +0 :              -0.00059764421293
                   +1 :              -0.00083185156521
                3s
                   +0 :               0.00041492806300
                4s
                   +0 :              -0.00089850137562
                3p
                   -1 :               0.00165893028870
                   +0 :               0.00348484287040
                   +1 :               0.00603738362646
                4p
                   -1 :              -0.00040893254979
                   +0 :              -0.00077417479634
                   +1 :              -0.00145946066338
                3d
                   -2 :               0.00153372891214
                   -1 :               0.00083532532762
                   +0 :              -0.00058415907834
                   +1 :              -0.00113059749518
                   +2 :              -0.00044304581921
              3 vec=    -7.570876      1.376461     -5.671791   |vec|=    9.559395
                2s
                   +0 :              -0.00062445324316
                2p
                   -1 :               0.00089475445948
                   +0 :               0.00048194972026
                   +1 :              -0.00007802472206
                3s
                   +0 :               0.00080841856849
                4s
                   +0 :              -0.00003044421968
                3p
                   -1 :              -0.00494121157498
                   +0 :              -0.00125987710691
                   +1 :               0.00071550416646
                4p
                   -1 :               0.00116793501598
                   +0 :               0.00021734685567
                   +1 :              -0.00035913726564
                3d
                   -2 :               0.00044847996728
                   -1 :               0.00075738066159
                   +0 :              -0.00043344504439
                   +1 :              -0.00011991128140
                   +2 :              -0.00036195770613
              4 vec=     7.989449      1.376461     -5.671791   |vec|=    9.894198
                2s
                   +0 :               0.00245326112371
                2p
                   -1 :              -0.00138368520231
                   +0 :               0.00007012394370
                   +1 :               0.00125444799785
                3s
                   +0 :              -0.00665021122548
                4s
                   +0 :               0.00181455228504
                3p
                   -1 :               0.00662802710825
                   +0 :              -0.00185896493940
                   +1 :              -0.00523872754914
                4p
                   -1 :              -0.00126397546374
                   +0 :               0.00121277030623
                   +1 :               0.00103106435447
                3d
                   -2 :               0.00138735753889
                   -1 :              -0.00069498857442
                   +0 :               0.00093518505142
                   +1 :              -0.00006223996220
                   +2 :              -0.00027715278019
              5 vec=    -7.570876     -7.607297     -5.671791   |vec|=   12.139125
                2s
                   +0 :              -0.00022558113800
                2p
                   -1 :               0.00017032193240
                   +0 :               0.00016688903492
                   +1 :               0.00016399399101
                3s
                   +0 :               0.00067250635141
                4s
                   +0 :              -0.00049337408383
                3p
                   -1 :              -0.00118143123016
                   +0 :              -0.00032971642401
                   +1 :              -0.00070684183901
                4p
                   -1 :               0.00042054455010
                   +0 :               0.00012708002551
                   +1 :               0.00029439049019
                3d
                   -2 :               0.00017033832056
                   -1 :               0.00009553572564
                   +0 :              -0.00009665263292
                   +1 :               0.00004272092452
                   +2 :              -0.00011217833490
              6 vec=     7.989449     -7.607297     -5.671791   |vec|=   12.404494
                2s
                   +0 :               0.00018353419552
                2p
                   -1 :              -0.00013167740543
                   +0 :              -0.00009191695512
                   +1 :               0.00016426341385
                3s
                   +0 :              -0.00022875872174
                4s
                   +0 :               0.00015077926789
                3p
                   -1 :               0.00058489918987
                   +0 :               0.00017013749750
                   +1 :              -0.00022218648472
                4p
                   -1 :              -0.00011283825070
                   +0 :               0.00002553695354
                   +1 :               0.00006877339110
                3d
                   -2 :               0.00025041713574
                   -1 :              -0.00021428192401
                   +0 :              -0.00005795433039
                   +1 :               0.00012139881222
                   +2 :               0.00010452952913
              7 vec=     0.209286    -12.099176     -5.671791   |vec|=   13.364246
                2s
                   +0 :               0.00003625911045
                2p
                   -1 :               0.00000355004667
                   +0 :              -0.00004734568843
                   +1 :              -0.00001211384021
                3s
                   +0 :              -0.00008839695289
                4s
                   +0 :              -0.00001274006593
                3p
                   -1 :              -0.00001800324157
                   +0 :               0.00014973073513
                   +1 :              -0.00000535755817
                4p
                   -1 :               0.00003080396669
                   +0 :               0.00003392841198
                   +1 :              -0.00001098349469
                3d
                   -2 :               0.00008799882343
                   -1 :              -0.00004451405130
                   +0 :               0.00001948020383
                   +1 :               0.00005257521313
                   +2 :              -0.00001661880155
              8 vec=    -7.570876     10.360219     -5.671791   |vec|=   14.029310
                2s
                   +0 :              -0.00046040830082
                2p
                   -1 :              -0.00020700656433
                   +0 :               0.00011444115663
                   +1 :              -0.00005254549171
                3s
                   +0 :               0.00106100783319
                4s
                   +0 :              -0.00017798729145
                3p
                   -1 :               0.00056548188455
                   +0 :              -0.00047306687543
                   +1 :               0.00036168324571
                4p
                   -1 :              -0.00002947283584
                   +0 :               0.00014220517813
                   +1 :              -0.00015853746382
                3d
                   -2 :               0.00003046356883
                   -1 :              -0.00020606721360
                   +0 :              -0.00000629806054
                   +1 :              -0.00005708178422
                   +2 :              -0.00008997211142
              9 vec=     7.989449     10.360219     -5.671791   |vec|=   14.259546
                2s
                   +0 :               0.00006370565031
                2p
                   -1 :               0.00003631111553
                   +0 :              -0.00005780793558
                   +1 :               0.00010392360822
                3s
                   +0 :              -0.00036834380786
                4s
                   +0 :               0.00023044524750
                3p
                   -1 :              -0.00025621780935
                   +0 :               0.00018624823389
                   +1 :              -0.00069832151292
                4p
                   -1 :               0.00011916601114
                   +0 :              -0.00005714740521
                   +1 :               0.00021312439063
                3d
                   -2 :              -0.00000786209507
                   -1 :              -0.00002894385433
                   +0 :               0.00012407361523
                   +1 :               0.00010835508614
                   +2 :              -0.00003615349502
             10 vec=     0.209286     14.852098     -5.671791   |vec|=   15.899618
                2s
                   +0 :               0.00008253026281
                2p
                   -1 :               0.00005975607655
                   +0 :              -0.00005129047811
                   +1 :               0.00002035904927
                3s
                   +0 :              -0.00027662927097
                4s
                   +0 :               0.00004525908641
                3p
                   -1 :              -0.00034874415235
                   +0 :               0.00023591041598
                   +1 :              -0.00010215098262
                4p
                   -1 :               0.00006256663795
                   +0 :              -0.00005102992322
                   +1 :               0.00002625428728
                3d
                   -2 :              -0.00000993922276
                   -1 :               0.00005150317983
                   +0 :               0.00003769347920
                   +1 :               0.00005277467276
                   +2 :               0.00009368117408
             11 vec=   -15.351039     -3.115418     -5.671791   |vec|=   16.659215
                2s
                   +0 :              -0.00007375050137
                2p
                   -1 :               0.00001645928087
                   +0 :               0.00004366958620
                   +1 :               0.00004822586733
                3s
                   +0 :               0.00002601136094
                4s
                   +0 :              -0.00002092804473
                3p
                   -1 :               0.00000415918687
                   +0 :              -0.00018983574597
                   +1 :              -0.00010609476831
                4p
                   -1 :               0.00000158134361
                   +0 :               0.00002483164051
                   +1 :               0.00002379521566
                3d
                   -2 :               0.00002788540816
                   -1 :               0.00003274927307
                   +0 :               0.00001969849268
                   +1 :               0.00009937369855
                   +2 :               0.00003649497485
             12 vec=    15.769612     -3.115418     -5.671791   |vec|=   17.045694
                2s
                   +0 :               0.00015202595723
                2p
                   -1 :              -0.00006736275336
                   +0 :              -0.00004339534584
                   +1 :               0.00008433172110
                3s
                   +0 :              -0.00047504234093
                4s
                   +0 :               0.00018752727568
                3p
                   -1 :               0.00031517776255
                   +0 :               0.00020022625352
                   +1 :              -0.00045052693322
                4p
                   -1 :              -0.00006491362087
                   +0 :              -0.00004656094819
                   +1 :               0.00012421494648
                3d
                   -2 :               0.00009065212293
                   -1 :              -0.00007808038943
                   +0 :              -0.00000251255708
                   +1 :               0.00011200853178
                   +2 :              -0.00003195648789
             13 vec=   -15.351039      5.868340     -5.671791   |vec|=   17.385656
                2s
                   +0 :               0.00002146494261
                2p
                   -1 :              -0.00000752334563
                   +0 :               0.00001713583165
                   +1 :              -0.00004014760787
                3s
                   +0 :              -0.00010122005247
                4s
                   +0 :               0.00004774193891
                3p
                   -1 :               0.00004755025982
                   +0 :              -0.00002310519790
                   +1 :               0.00019704011691
                4p
                   -1 :              -0.00001167194813
                   +0 :              -0.00001789341288
                   +1 :              -0.00006113950380
                3d
                   -2 :               0.00000589787204
                   -1 :              -0.00000578251552
                   +0 :              -0.00002480574998
                   +1 :              -0.00000837362164
                   +2 :              -0.00001432668407
             14 vec=    15.769612      5.868340     -5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00001450085448
                2p
                   -1 :              -0.00000547373907
                   +0 :               0.00001577065301
                   +1 :               0.00000452846539
                3s
                   +0 :               0.00013292701042
                4s
                   +0 :              -0.00004903910989
                3p
                   -1 :              -0.00001164093017
                   +0 :              -0.00001773259275
                   +1 :               0.00005449974250
                4p
                   -1 :               0.00003002367139
                   +0 :              -0.00003143554632
                   +1 :              -0.00002826323140
                3d
                   -2 :               0.00001004445895
                   -1 :              -0.00004336256524
                   +0 :              -0.00000508469950
                   +1 :               0.00001845383198
                   +2 :              -0.00006841465106
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al(  2)  npairs=  14
              1 vec=     0.209286     -3.115418      1.580534   |vec|=    3.499674
                2s
                   +0 :               0.00170212513984
                2p
                   -1 :              -0.00275439392414
                   +0 :               0.00182240434355
                   +1 :              -0.00749031354584
                3s
                   +0 :               0.01919213634410
                4s
                   +0 :              -0.00368490492210
                3p
                   -1 :              -0.01660682527696
                   +0 :               0.00234069581520
                   +1 :              -0.03916065442237
                4p
                   -1 :               0.00028660164522
                   +0 :               0.00068394426684
                   +1 :              -0.00150906515684
                3d
                   -2 :               0.03253666257445
                   -1 :              -0.00605972388472
                   +0 :              -0.00168311383820
                   +1 :              -0.01774518149001
                   +2 :              -0.00983820451726
              2 vec=     0.209286      5.868340      1.580534   |vec|=    6.081062
                2s
                   +0 :               0.00079830110193
                2p
                   -1 :               0.00158209040435
                   +0 :              -0.00077279308776
                   +1 :               0.00076837613099
                3s
                   +0 :              -0.00523991909335
                4s
                   +0 :               0.00152612099591
                3p
                   -1 :              -0.00495914572015
                   +0 :               0.00540240524366
                   +1 :              -0.00385138922634
                4p
                   -1 :               0.00190871412272
                   +0 :              -0.00181501099451
                   +1 :               0.00206389056878
                3d
                   -2 :               0.00231601696814
                   -1 :               0.00117990469340
                   +0 :              -0.00027988704135
                   +1 :               0.00030342178279
                   +2 :              -0.00208518083111
              3 vec=    -7.570876      1.376461      1.580534   |vec|=    7.855629
                2s
                   +0 :              -0.00001687880345
                2p
                   -1 :               0.00000928907427
                   +0 :               0.00026541841567
                   +1 :              -0.00061531106603
                3s
                   +0 :              -0.01590921676839
                4s
                   +0 :               0.00020440561699
                3p
                   -1 :              -0.00830530840883
                   +0 :              -0.01141967296950
                   +1 :               0.00606338211339
                4p
                   -1 :              -0.00014478917019
                   +0 :               0.00066517502620
                   +1 :              -0.00017344038782
                3d
                   -2 :               0.00334892019062
                   -1 :              -0.00281739624609
                   +0 :              -0.00115144002377
                   +1 :               0.00366846927818
                   +2 :               0.00137780582443
              4 vec=     7.989449      1.376461      1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00062295940401
                2p
                   -1 :              -0.00083658456006
                   +0 :              -0.00033678812809
                   +1 :               0.00092318819672
                3s
                   +0 :               0.00969484868478
                4s
                   +0 :              -0.00145575622692
                3p
                   -1 :               0.01066448219431
                   +0 :               0.00778622630933
                   +1 :              -0.00439442349800
                4p
                   -1 :              -0.00134592770261
                   +0 :              -0.00100824395972
                   +1 :               0.00092092815440
                3d
                   -2 :               0.00122713333015
                   -1 :               0.00393913834816
                   +0 :               0.00127370796350
                   +1 :               0.00078720511891
                   +2 :              -0.00386049088502
              5 vec=    -7.570876     -7.607297      1.580534   |vec|=   10.848374
                2s
                   +0 :               0.00014976568463
                2p
                   -1 :              -0.00023950809442
                   +0 :               0.00010096309388
                   +1 :               0.00015254359628
                3s
                   +0 :              -0.00203181996441
                4s
                   +0 :               0.00026517640203
                3p
                   -1 :               0.00216797051721
                   +0 :              -0.00104483126518
                   +1 :              -0.00065094936894
                4p
                   -1 :              -0.00029824369652
                   +0 :               0.00006375831274
                   +1 :               0.00007808875596
                3d
                   -2 :               0.00008037224544
                   -1 :               0.00035922554834
                   +0 :               0.00010283593575
                   +1 :               0.00000576550616
                   +2 :               0.00045554742616
              6 vec=     7.989449     -7.607297      1.580534   |vec|=   11.144521
                2s
                   +0 :              -0.00059533311542
                2p
                   -1 :               0.00000644778835
                   +0 :               0.00008502170845
                   +1 :              -0.00023881408439
                3s
                   +0 :               0.00393054769800
                4s
                   +0 :              -0.00083893793152
                3p
                   -1 :              -0.00147424391553
                   +0 :               0.00049847242017
                   +1 :               0.00185595672355
                4p
                   -1 :               0.00001293821846
                   +0 :              -0.00003138205247
                   +1 :              -0.00045371381512
                3d
                   -2 :              -0.00040007105309
                   -1 :              -0.00045319622834
                   +0 :               0.00005411611222
                   +1 :              -0.00006282464125
                   +2 :               0.00011142274563
              7 vec=     0.209286    -12.099176      1.580534   |vec|=   12.203767
                2s
                   +0 :              -0.00019214536771
                2p
                   -1 :               0.00015650051148
                   +0 :              -0.00017566547764
                   +1 :               0.00005681793517
                3s
                   +0 :               0.00024195391779
                4s
                   +0 :              -0.00008413913234
                3p
                   -1 :              -0.00046807170276
                   +0 :               0.00062235304118
                   +1 :               0.00000988819093
                4p
                   -1 :               0.00013455526759
                   +0 :              -0.00013312944503
                   +1 :               0.00008332204185
                3d
                   -2 :              -0.00025990197720
                   -1 :              -0.00010237028216
                   +0 :              -0.00006370876530
                   +1 :               0.00002800313031
                   +2 :              -0.00009771344962
              8 vec=    -7.570876     10.360219      1.580534   |vec|=   12.928666
                2s
                   +0 :               0.00028729170558
                2p
                   -1 :              -0.00003028694264
                   +0 :              -0.00006284682834
                   +1 :               0.00014988686775
                3s
                   +0 :              -0.00180076390038
                4s
                   +0 :               0.00023026569753
                3p
                   -1 :               0.00031439334241
                   +0 :              -0.00071775186478
                   +1 :               0.00012945704918
                4p
                   -1 :              -0.00007148983325
                   +0 :               0.00008821306035
                   +1 :               0.00021707725198
                3d
                   -2 :              -0.00031007659618
                   -1 :               0.00006772992823
                   +0 :              -0.00008391973844
                   +1 :               0.00046136317586
                   +2 :              -0.00021154461120
              9 vec=     7.989449     10.360219      1.580534   |vec|=   13.178146
                2s
                   +0 :              -0.00025041946633
                2p
                   -1 :              -0.00006407030931
                   +0 :              -0.00010164783031
                   +1 :               0.00009362026281
                3s
                   +0 :               0.00233454903024
                4s
                   +0 :              -0.00011561950100
                3p
                   -1 :               0.00051363200250
                   +0 :               0.00181358426877
                   +1 :               0.00071894067294
                4p
                   -1 :               0.00004437895863
                   +0 :              -0.00031446647595
                   +1 :               0.00017167370573
                3d
                   -2 :               0.00011222872720
                   -1 :               0.00041265409555
                   +0 :               0.00020331922715
                   +1 :               0.00070037918964
                   +2 :               0.00023398878182
             10 vec=     0.209286     14.852098      1.580534   |vec|=   14.937427
                2s
                   +0 :               0.00004130979681
                2p
                   -1 :               0.00005835972194
                   +0 :              -0.00000223158669
                   +1 :              -0.00001905553959
                3s
                   +0 :              -0.00031596996274
                4s
                   +0 :               0.00018204947079
                3p
                   -1 :              -0.00048023439878
                   +0 :              -0.00001520762004
                   +1 :              -0.00007239731732
                4p
                   -1 :               0.00016862562649
                   +0 :               0.00001052505944
                   +1 :              -0.00002377063136
                3d
                   -2 :               0.00001401305653
                   -1 :              -0.00003136092155
                   +0 :               0.00000021428755
                   +1 :              -0.00009278189411
                   +2 :               0.00005807724457
             11 vec=   -15.351039     -3.115418      1.580534   |vec|=   15.743516
                2s
                   +0 :               0.00015465729451
                2p
                   -1 :              -0.00001344837479
                   +0 :               0.00004468127820
                   +1 :              -0.00009392779992
                3s
                   +0 :              -0.00052738036047
                4s
                   +0 :               0.00020901633269
                3p
                   -1 :               0.00017423254667
                   +0 :              -0.00030866848556
                   +1 :               0.00049450100986
                4p
                   -1 :              -0.00005727482106
                   +0 :               0.00008561833100
                   +1 :              -0.00011440508047
                3d
                   -2 :              -0.00012268824315
                   -1 :               0.00003732310495
                   +0 :               0.00009604922357
                   +1 :               0.00008249113469
                   +2 :              -0.00007157728676
             12 vec=    15.769612     -3.115418      1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00004514108730
                2p
                   -1 :              -0.00003524375865
                   +0 :               0.00001019480257
                   +1 :               0.00000888291998
                3s
                   +0 :               0.00010465545705
                4s
                   +0 :               0.00007611162033
                3p
                   -1 :               0.00026319583987
                   +0 :              -0.00002282286937
                   +1 :              -0.00021352979973
                4p
                   -1 :              -0.00011695838317
                   +0 :               0.00003141463845
                   +1 :               0.00013270164079
                3d
                   -2 :               0.00007859310517
                   -1 :               0.00002268756654
                   +0 :              -0.00003278442298
                   +1 :               0.00002397152661
                   +2 :               0.00004561763499
             13 vec=   -15.351039      5.868340      1.580534   |vec|=   16.510297
                2s
                   +0 :               0.00005321276067
                2p
                   -1 :               0.00001536002683
                   +0 :               0.00002623917813
                   +1 :              -0.00000890739069
                3s
                   +0 :              -0.00020735835135
                4s
                   +0 :               0.00003313770811
                3p
                   -1 :              -0.00003634999611
                   +0 :              -0.00016421306614
                   +1 :              -0.00001123841480
                4p
                   -1 :               0.00000250338465
                   +0 :               0.00002190945718
                   +1 :               0.00000389141072
                3d
                   -2 :              -0.00000493826017
                   -1 :              -0.00005020500928
                   +0 :              -0.00001398095048
                   +1 :               0.00002976222021
                   +2 :               0.00000394544455
             14 vec=    15.769612      5.868340      1.580534   |vec|=   16.900182
                2s
                   +0 :               0.00000621619368
                2p
                   -1 :              -0.00000009072665
                   +0 :               0.00001825807979
                   +1 :              -0.00000367880735
                3s
                   +0 :               0.00024937319935
                4s
                   +0 :              -0.00010664034840
                3p
                   -1 :               0.00007187325932
                   +0 :               0.00002831253027
                   +1 :               0.00018742807011
                4p
                   -1 :              -0.00005130941457
                   +0 :               0.00000681527154
                   +1 :              -0.00006124439777
                3d
                   -2 :               0.00001059331242
                   -1 :              -0.00000496496673
                   +0 :               0.00000207093475
                   +1 :               0.00003037469326
                   +2 :               0.00001202753785
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Cr(  3)  npairs=  15
              1 vec=     0.209286     -3.115418    -10.693237   |vec|=   11.139791
                3s
                   +0 :               0.00032904990116
                3p
                   -1 :               0.00031317086458
                   +0 :              -0.00010468591929
                   +1 :              -0.00005736639976
                4s
                   +0 :              -0.00073906373914
                5s
                   +0 :               0.00004227453862
                3d
                   -2 :               0.00122065724816
                   -1 :              -0.00043474289868
                   +0 :              -0.00012810002782
                   +1 :              -0.00029080774707
                   +2 :               0.00013148448794
                4d
                   -2 :              -0.00000231561234
                   -1 :               0.00010548199078
                   +0 :               0.00010499902378
                   +1 :              -0.00015635418184
                   +2 :               0.00004308647963
                4p
                   -1 :              -0.00033165130158
                   +0 :               0.00019998456810
                   +1 :               0.00034199961039
              2 vec=     0.209286      5.868340    -10.693237   |vec|=   12.199448
                3s
                   +0 :               0.00056591268930
                3p
                   -1 :               0.00029380175064
                   +0 :              -0.00018633623607
                   +1 :               0.00029315467482
                4s
                   +0 :              -0.00090242884901
                5s
                   +0 :              -0.00003003043380
                3d
                   -2 :               0.00005129832842
                   -1 :              -0.00027730874299
                   +0 :              -0.00005995452267
                   +1 :              -0.00005587267596
                   +2 :              -0.00006890140579
                4d
                   -2 :              -0.00025879934165
                   -1 :               0.00019657774920
                   +0 :               0.00012405088337
                   +1 :               0.00040240334429
                   +2 :               0.00001786997339
                4p
                   -1 :              -0.00053389663689
                   +0 :               0.00026404031323
                   +1 :              -0.00066965172116
              3 vec=    -7.570876      1.376461    -10.693237   |vec|=   13.174146
                3s
                   +0 :              -0.00019354217690
                3p
                   -1 :               0.00005279151067
                   +0 :               0.00002325168565
                   +1 :              -0.00002013826308
                4s
                   +0 :               0.00094069991290
                5s
                   +0 :              -0.00004841672062
                3d
                   -2 :              -0.00034749866933
                   -1 :              -0.00014797042349
                   +0 :              -0.00008341117266
                   +1 :               0.00055583807290
                   +2 :               0.00026691574017
                4d
                   -2 :               0.00006424322982
                   -1 :               0.00016319257028
                   +0 :               0.00007930130319
                   +1 :               0.00016660125704
                   +2 :              -0.00000862250944
                4p
                   -1 :              -0.00003616901189
                   +0 :              -0.00046393047492
                   +1 :              -0.00032091037763
              4 vec=     7.989449      1.376461    -10.693237   |vec|=   13.419063
                3s
                   +0 :              -0.00049660176090
                3p
                   -1 :               0.00008966309712
                   +0 :               0.00031062131619
                   +1 :              -0.00015756031459
                4s
                   +0 :               0.00006392584390
                5s
                   +0 :               0.00005043122268
                3d
                   -2 :              -0.00026300385833
                   -1 :              -0.00015558708682
                   +0 :               0.00024208422687
                   +1 :               0.00038368333833
                   +2 :              -0.00000267920952
                4d
                   -2 :              -0.00008955322649
                   -1 :               0.00027554910737
                   +0 :              -0.00022163650023
                   +1 :               0.00002345155058
                   +2 :              -0.00014794571047
                4p
                   -1 :              -0.00036623932235
                   +0 :               0.00002718555296
                   +1 :              -0.00011028620029
              5 vec=     0.209286     -3.115418     13.854306   |vec|=   14.201810
                3s
                   +0 :              -0.00010977570005
                3p
                   -1 :               0.00003089660227
                   +0 :              -0.00005639237430
                   +1 :              -0.00003137800506
                4s
                   +0 :               0.00025948232882
                5s
                   +0 :              -0.00004078001590
                3d
                   -2 :              -0.00027522208186
                   -1 :              -0.00000689471029
                   +0 :              -0.00001758962577
                   +1 :               0.00024364318423
                   +2 :              -0.00011086040427
                4d
                   -2 :               0.00003982261074
                   -1 :              -0.00000669398861
                   +0 :               0.00004665819961
                   +1 :              -0.00006358867102
                   +2 :               0.00001332287515
                4p
                   -1 :              -0.00004578503477
                   +0 :               0.00012299571392
                   +1 :               0.00006247058357
              6 vec=     0.209286      5.868340     13.854306   |vec|=   15.047359
                3s
                   +0 :              -0.00005659175360
                3p
                   -1 :               0.00006672252130
                   +0 :              -0.00004440721894
                   +1 :               0.00002722118805
                4s
                   +0 :               0.00015340240117
                5s
                   +0 :              -0.00002936904653
                3d
                   -2 :              -0.00003083296783
                   -1 :              -0.00005817277239
                   +0 :              -0.00000281613696
                   +1 :               0.00005029570317
                   +2 :               0.00005981954417
                4d
                   -2 :               0.00002220280799
                   -1 :               0.00005888233388
                   +0 :               0.00005272004678
                   +1 :               0.00002484922497
                   +2 :              -0.00000648718411
                4p
                   -1 :              -0.00013849271273
                   +0 :               0.00011076245707
                   +1 :              -0.00003507570239
              7 vec=    -7.570876     -7.607297    -10.693237   |vec|=   15.150394
                3s
                   +0 :              -0.00001360780067
                3p
                   -1 :              -0.00005659483784
                   +0 :              -0.00001958131669
                   +1 :               0.00007063873915
                4s
                   +0 :               0.00021082639948
                5s
                   +0 :              -0.00003541024047
                3d
                   -2 :              -0.00005915761097
                   -1 :               0.00044764131050
                   +0 :               0.00008651231724
                   +1 :              -0.00013346068945
                   +2 :              -0.00031081605601
                4d
                   -2 :               0.00003712550567
                   -1 :               0.00001596000918
                   +0 :               0.00001336837230
                   +1 :               0.00005827350242
                   +2 :              -0.00002631776846
                4p
                   -1 :               0.00003068362204
                   +0 :              -0.00004940415505
                   +1 :              -0.00009913585801
              8 vec=     7.989449     -7.607297    -10.693237   |vec|=   15.363840
                3s
                   +0 :              -0.00011197891692
                3p
                   -1 :               0.00005865596798
                   +0 :               0.00007801391872
                   +1 :              -0.00001647348298
                4s
                   +0 :               0.00006342702788
                5s
                   +0 :               0.00001601840748
                3d
                   -2 :              -0.00008743985922
                   -1 :              -0.00028492819960
                   +0 :              -0.00002184937590
                   +1 :              -0.00000323196547
                   +2 :               0.00019347157283
                4d
                   -2 :               0.00003812390366
                   -1 :              -0.00001217800684
                   +0 :               0.00000729071837
                   +1 :              -0.00004663613585
                   +2 :               0.00001824843734
                4p
                   -1 :              -0.00002800425358
                   +0 :              -0.00011655736762
                   +1 :               0.00004340503057
              9 vec=    -7.570876      1.376461     13.854306   |vec|=   15.847858
                3s
                   +0 :               0.00011163934627
                3p
                   -1 :               0.00000499078053
                   +0 :               0.00002949213720
                   +1 :              -0.00003514160654
                4s
                   +0 :              -0.00017304226409
                5s
                   +0 :              -0.00000258011945
                3d
                   -2 :              -0.00001098835330
                   -1 :               0.00005948520903
                   +0 :              -0.00001558534288
                   +1 :               0.00005636523348
                   +2 :              -0.00006056350330
                4d
                   -2 :               0.00001235204057
                   -1 :              -0.00000046109286
                   +0 :               0.00005156191343
                   +1 :              -0.00002712449291
                   +2 :              -0.00003469372155
                4p
                   -1 :               0.00000600912786
                   +0 :              -0.00003137130724
                   +1 :               0.00008262712658
             10 vec=     7.989449      1.376461     13.854306   |vec|=   16.052032
                3s
                   +0 :              -0.00007305025233
                3p
                   -1 :              -0.00004104498381
                   +0 :              -0.00005091410958
                   +1 :               0.00000785957988
                4s
                   +0 :               0.00013986202545
                5s
                   +0 :              -0.00001011250320
                3d
                   -2 :              -0.00009824323573
                   -1 :              -0.00008974431971
                   +0 :              -0.00001594442180
                   +1 :               0.00003547950053
                   +2 :               0.00010397180953
                4d
                   -2 :               0.00000319299455
                   -1 :              -0.00003033647262
                   +0 :               0.00000716419379
                   +1 :               0.00005025182966
                   +2 :              -0.00004603045812
                4p
                   -1 :               0.00004913291458
                   +0 :               0.00009265493193
                   +1 :               0.00000494833855
             11 vec=     0.209286    -12.099176    -10.693237   |vec|=   16.148658
                3s
                   +0 :               0.00002553866902
                3p
                   -1 :              -0.00001245769337
                   +0 :              -0.00003960127553
                   +1 :              -0.00001444565368
                4s
                   +0 :              -0.00007191777829
                5s
                   +0 :               0.00001791504686
                3d
                   -2 :               0.00007228314538
                   -1 :               0.00007665258061
                   +0 :               0.00003988405450
                   +1 :               0.00006314890540
                   +2 :              -0.00002060931631
                4d
                   -2 :              -0.00001480706420
                   -1 :              -0.00006091394292
                   +0 :              -0.00002975672389
                   +1 :              -0.00001563129829
                   +2 :               0.00002435737868
                4p
                   -1 :               0.00002656914960
                   +0 :               0.00007858882160
                   +1 :               0.00002550961145
             12 vec=    -7.570876     10.360219    -10.693237   |vec|=   16.703222
                3s
                   +0 :               0.00006895012566
                3p
                   -1 :               0.00004656722672
                   +0 :              -0.00008210824877
                   +1 :               0.00000178484902
                4s
                   +0 :              -0.00016843901447
                5s
                   +0 :               0.00005079415735
                3d
                   -2 :              -0.00011476059880
                   -1 :              -0.00012467961425
                   +0 :               0.00003790573497
                   +1 :               0.00013918294311
                   +2 :               0.00001317241479
                4d
                   -2 :               0.00004386435217
                   -1 :               0.00010129250340
                   +0 :              -0.00006179948918
                   +1 :              -0.00004351680617
                   +2 :               0.00007992703791
                4p
                   -1 :              -0.00011411159584
                   +0 :               0.00016677980618
                   +1 :              -0.00000861289003
             13 vec=     7.989449     10.360219    -10.693237   |vec|=   16.897064
                3s
                   +0 :               0.00004300025817
                3p
                   -1 :              -0.00000861867700
                   +0 :              -0.00004047258427
                   +1 :               0.00002616594465
                4s
                   +0 :              -0.00010321755378
                5s
                   +0 :              -0.00001156042452
                3d
                   -2 :              -0.00003307304068
                   -1 :               0.00002648356987
                   +0 :               0.00001890832529
                   +1 :               0.00005359572214
                   +2 :              -0.00000733088124
                4d
                   -2 :               0.00002770691335
                   -1 :               0.00000550874601
                   +0 :              -0.00005408267275
                   +1 :              -0.00001127184562
                   +2 :              -0.00006501601060
                4p
                   -1 :               0.00005210029820
                   +0 :               0.00010718274418
                   +1 :              -0.00005223408680
             14 vec=    -7.570876     -7.607297     13.854306   |vec|=   17.525151
                3s
                   +0 :               0.00003600752768
                3p
                   -1 :              -0.00003371099916
                   +0 :               0.00002406341797
                   +1 :              -0.00002834770252
                4s
                   +0 :               0.00007490972267
                5s
                   +0 :              -0.00000603877172
                3d
                   -2 :               0.00015211102897
                   -1 :              -0.00009010565034
                   +0 :              -0.00012553868583
                   +1 :              -0.00010032181349
                   +2 :               0.00017072675726
                4d
                   -2 :               0.00002472843261
                   -1 :               0.00001770069561
                   +0 :               0.00000988972085
                   +1 :              -0.00001651551615
                   +2 :               0.00000259431073
                4p
                   -1 :               0.00000041248258
                   +0 :              -0.00000877826929
                   +1 :              -0.00007932319445
             15 vec=     7.989449     -7.607297     13.854306   |vec|=   17.709998
                3s
                   +0 :              -0.00001032258449
                3p
                   -1 :               0.00000529683260
                   +0 :              -0.00002536161989
                   +1 :              -0.00000646197829
                4s
                   +0 :              -0.00003979306514
                5s
                   +0 :              -0.00000827604691
                3d
                   -2 :               0.00009151872661
                   -1 :               0.00005188838488
                   +0 :               0.00004785635117
                   +1 :              -0.00002932862136
                   +2 :              -0.00001519289745
                4d
                   -2 :               0.00001141921202
                   -1 :              -0.00000777707729
                   +0 :               0.00002713988009
                   +1 :               0.00001605069533
                   +2 :               0.00001391552571
                4p
                   -1 :               0.00004704262705
                   +0 :               0.00004114775082
                   +1 :              -0.00003375587595
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al(  4)  npairs=  13
              1 vec=     0.209286     -3.115418      6.601980   |vec|=    7.303134
                2s
                   +0 :              -0.00289228811270
                2p
                   -1 :               0.00060265836039
                   +0 :              -0.00099740653971
                   +1 :               0.00036337343805
                3s
                   +0 :               0.00985322517416
                4s
                   +0 :              -0.00337751678809
                3p
                   -1 :              -0.00168753255524
                   +0 :               0.00433468515468
                   +1 :              -0.00802798016061
                4p
                   -1 :              -0.00010017839075
                   +0 :              -0.00105580808524
                   +1 :               0.00072319980028
                3d
                   -2 :               0.00134552540428
                   -1 :              -0.00045089726720
                   +0 :               0.00019448720150
                   +1 :              -0.00211572831991
                   +2 :               0.00038700026311
              2 vec=     0.209286      5.868340      6.601980   |vec|=    8.835573
                2s
                   +0 :              -0.00061259994485
                2p
                   -1 :              -0.00034547706208
                   +0 :               0.00002700771420
                   +1 :              -0.00081231938892
                3s
                   +0 :               0.00525850551073
                4s
                   +0 :              -0.00237109966958
                3p
                   -1 :               0.00404091606456
                   +0 :               0.00158665062173
                   +1 :               0.00499379460035
                4p
                   -1 :              -0.00124862415483
                   +0 :              -0.00065492058421
                   +1 :              -0.00184731453975
                3d
                   -2 :               0.00161897871543
                   -1 :               0.00072595321618
                   +0 :               0.00007264819771
                   +1 :               0.00080562852843
                   +2 :              -0.00077836372199
              3 vec=    -7.570876      1.376461      6.601980   |vec|=   10.138982
                2s
                   +0 :               0.00017682234513
                2p
                   -1 :               0.00027315117222
                   +0 :              -0.00026597265915
                   +1 :              -0.00045273207589
                3s
                   +0 :              -0.00242332414286
                4s
                   +0 :               0.00128497333366
                3p
                   -1 :              -0.00231179688302
                   +0 :               0.00076294831436
                   +1 :               0.00324209147734
                4p
                   -1 :               0.00041062713124
                   +0 :               0.00008408652590
                   +1 :              -0.00124019612378
                3d
                   -2 :               0.00040927722951
                   -1 :              -0.00048616546582
                   +0 :               0.00010464383248
                   +1 :               0.00010124723399
                   +2 :              -0.00050217504237
              4 vec=     7.989449      1.376461      6.601980   |vec|=   10.455242
                2s
                   +0 :              -0.00151694482548
                2p
                   -1 :               0.00009472865754
                   +0 :              -0.00040119794285
                   +1 :              -0.00043919118238
                3s
                   +0 :               0.00618942472732
                4s
                   +0 :              -0.00192677180479
                3p
                   -1 :              -0.00009251343141
                   +0 :               0.00245572229419
                   +1 :               0.00257430658954
                4p
                   -1 :               0.00015520004377
                   +0 :              -0.00065493460435
                   +1 :              -0.00060250743576
                3d
                   -2 :              -0.00026048705891
                   -1 :              -0.00011198141055
                   +0 :               0.00047049822990
                   +1 :               0.00033599863603
                   +2 :               0.00043281796153
              5 vec=    -7.570876     -7.607297      6.601980   |vec|=   12.600606
                2s
                   +0 :              -0.00047694783133
                2p
                   -1 :               0.00004903419564
                   +0 :              -0.00028024899292
                   +1 :               0.00028168514930
                3s
                   +0 :               0.00158973517376
                4s
                   +0 :              -0.00068279734692
                3p
                   -1 :              -0.00021973558849
                   +0 :               0.00136523033245
                   +1 :              -0.00139801331263
                4p
                   -1 :               0.00005478268622
                   +0 :              -0.00040947808573
                   +1 :               0.00040600428410
                3d
                   -2 :               0.00001230466420
                   -1 :              -0.00008083252651
                   +0 :               0.00003791601821
                   +1 :              -0.00027879478283
                   +2 :               0.00012743767583
              6 vec=     7.989449     -7.607297      6.601980   |vec|=   12.856453
                2s
                   +0 :              -0.00016650167098
                2p
                   -1 :               0.00000827791076
                   +0 :              -0.00014410892140
                   +1 :              -0.00000468632248
                3s
                   +0 :               0.00109179507634
                4s
                   +0 :              -0.00020268919391
                3p
                   -1 :              -0.00020695995334
                   +0 :               0.00105954651275
                   +1 :               0.00010010312267
                4p
                   -1 :               0.00006890995991
                   +0 :              -0.00020905228129
                   +1 :               0.00014402975853
                3d
                   -2 :              -0.00006603628988
                   -1 :              -0.00015676122092
                   +0 :               0.00021374862563
                   +1 :               0.00021805298400
                   +2 :              -0.00007808882525
              7 vec=     0.209286    -12.099176      6.601980   |vec|=   13.784774
                2s
                   +0 :              -0.00001991061482
                2p
                   -1 :              -0.00000078078906
                   +0 :               0.00003801957018
                   +1 :               0.00008735438295
                3s
                   +0 :               0.00020842247556
                4s
                   +0 :              -0.00006873595592
                3p
                   -1 :              -0.00007902665222
                   +0 :              -0.00016199246557
                   +1 :              -0.00039920977629
                4p
                   -1 :               0.00000375644633
                   +0 :               0.00002194532665
                   +1 :               0.00009426199375
                3d
                   -2 :              -0.00002968222275
                   -1 :               0.00002102357722
                   +0 :               0.00003361369547
                   +1 :              -0.00015284302660
                   +2 :              -0.00002091819064
              8 vec=    -7.570876     10.360219      6.601980   |vec|=   14.430470
                2s
                   +0 :               0.00011338853542
                2p
                   -1 :               0.00002722606380
                   +0 :               0.00010614165015
                   +1 :              -0.00004026109585
                3s
                   +0 :              -0.00075708090277
                4s
                   +0 :               0.00032547057984
                3p
                   -1 :              -0.00043103280836
                   +0 :              -0.00063015866664
                   +1 :               0.00032399961363
                4p
                   -1 :               0.00018511247025
                   +0 :               0.00015226549786
                   +1 :              -0.00011740884054
                3d
                   -2 :               0.00010122193138
                   -1 :              -0.00004265052935
                   +0 :              -0.00002185560222
                   +1 :               0.00003866698465
                   +2 :               0.00002059667200
              9 vec=     7.989449     10.360219      6.601980   |vec|=   14.654405
                2s
                   +0 :               0.00010875337178
                2p
                   -1 :               0.00002790197662
                   +0 :               0.00000778929224
                   +1 :               0.00001434063754
                3s
                   +0 :              -0.00019944277513
                4s
                   +0 :              -0.00001798058515
                3p
                   -1 :              -0.00015300310822
                   +0 :               0.00007582839008
                   +1 :               0.00001974579333
                4p
                   -1 :               0.00003363394470
                   +0 :              -0.00006321260919
                   +1 :              -0.00004263471296
                3d
                   -2 :               0.00007237096351
                   -1 :              -0.00003088427830
                   +0 :               0.00009689370515
                   +1 :              -0.00003755003904
                   +2 :               0.00007056249334
             10 vec=     0.209286     14.852098      6.601980   |vec|=   16.254684
                2s
                   +0 :              -0.00002805005770
                2p
                   -1 :              -0.00000558042916
                   +0 :               0.00002011457167
                   +1 :              -0.00002557871791
                3s
                   +0 :               0.00005633471965
                4s
                   +0 :              -0.00002666546938
                3p
                   -1 :               0.00000652117176
                   +0 :              -0.00009659726235
                   +1 :               0.00012141653128
                4p
                   -1 :              -0.00000392618456
                   +0 :               0.00000091374281
                   +1 :              -0.00002205254531
                3d
                   -2 :               0.00006193828125
                   -1 :              -0.00003319045606
                   +0 :               0.00000813543148
                   +1 :               0.00000579305022
                   +2 :              -0.00000180192196
             11 vec=   -15.351039     -3.115418      6.601980   |vec|=   16.998422
                2s
                   +0 :               0.00009367204962
                2p
                   -1 :              -0.00001444417426
                   +0 :               0.00002447008676
                   +1 :              -0.00002000796379
                3s
                   +0 :              -0.00057264305825
                4s
                   +0 :               0.00012125084153
                3p
                   -1 :               0.00012796383517
                   +0 :              -0.00026729067321
                   +1 :               0.00020747039734
                4p
                   -1 :              -0.00000391707963
                   +0 :               0.00004432287899
                   +1 :              -0.00001484828589
                3d
                   -2 :              -0.00002958571402
                   -1 :               0.00002453440651
                   +0 :              -0.00003542545998
                   +1 :               0.00006912892483
                   +2 :              -0.00004884501207
             12 vec=    15.769612     -3.115418      6.601980   |vec|=   17.377359
                2s
                   +0 :              -0.00001888744518
                2p
                   -1 :               0.00001139789043
                   +0 :               0.00000130454416
                   +1 :               0.00003088256855
                3s
                   +0 :               0.00022443600161
                4s
                   +0 :              -0.00003197683748
                3p
                   -1 :              -0.00010463403946
                   +0 :               0.00006435953463
                   +1 :              -0.00009255263478
                4p
                   -1 :               0.00002711939492
                   +0 :              -0.00000228434135
                   +1 :               0.00004158232391
                3d
                   -2 :              -0.00003420090336
                   -1 :              -0.00001072496496
                   +0 :               0.00000727681164
                   +1 :               0.00000008604986
                   +2 :              -0.00000305907181
             13 vec=   -15.351039      5.868340      6.601980   |vec|=   17.710956
                2s
                   +0 :               0.00003586442413
                2p
                   -1 :               0.00002747370838
                   +0 :              -0.00000499025952
                   +1 :               0.00001796281299
                3s
                   +0 :              -0.00018610799678
                4s
                   +0 :               0.00005744598933
                3p
                   -1 :              -0.00015089845651
                   +0 :               0.00000773025188
                   +1 :              -0.00008484180532
                4p
                   -1 :               0.00003913930764
                   +0 :               0.00000209110394
                   +1 :               0.00002811079946
                3d
                   -2 :              -0.00000269728544
                   -1 :              -0.00000415425591
                   +0 :              -0.00002494110901
                   +1 :              -0.00003150143569
                   +2 :              -0.00001000310991
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al(  5)  npairs=  14
              1 vec=    -2.384101      1.376461      2.510641   |vec|=    3.725842
                2s
                   +0 :              -0.01819223095638
                2p
                   -1 :              -0.00959893360641
                   +0 :              -0.01830350742129
                   +1 :               0.01713096954110
                3s
                   +0 :              -0.05701174232331
                4s
                   +0 :              -0.00593163780574
                3p
                   -1 :              -0.03326275242051
                   +0 :              -0.05309797195809
                   +1 :               0.00893967126358
                4p
                   -1 :              -0.00058304228210
                   +0 :              -0.00659611616055
                   +1 :               0.01055191335656
                3d
                   -2 :               0.01672245020532
                   -1 :              -0.02651061008175
                   +0 :              -0.02069416448995
                   +1 :               0.02684745322754
                   +2 :               0.00466159716847
              2 vec=     5.396061     -3.115418      2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00007570591556
                2p
                   -1 :               0.00000984778416
                   +0 :              -0.00048720581691
                   +1 :              -0.00078443297074
                3s
                   +0 :              -0.00714287349826
                4s
                   +0 :              -0.00005048409509
                3p
                   -1 :               0.00526100582646
                   +0 :              -0.00329757499795
                   +1 :              -0.00256532474189
                4p
                   -1 :              -0.00034497987747
                   +0 :               0.00013551310180
                   +1 :              -0.00103641444953
                3d
                   -2 :               0.00109164059414
                   -1 :              -0.00056173327114
                   +0 :              -0.00001915395548
                   +1 :              -0.00082619954604
                   +2 :               0.00108747525057
              3 vec=    -2.384101     -7.607297      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00032424711463
                2p
                   -1 :              -0.00022380025661
                   +0 :               0.00031140266208
                   +1 :              -0.00020753846155
                3s
                   +0 :              -0.00533446352190
                4s
                   +0 :               0.00200303855823
                3p
                   -1 :               0.00325931196875
                   +0 :              -0.00455407138668
                   +1 :               0.00105684487918
                4p
                   -1 :              -0.00128964736833
                   +0 :               0.00095672970277
                   +1 :              -0.00086400189420
                3d
                   -2 :               0.00039415625881
                   -1 :               0.00138574971575
                   +0 :              -0.00045277452672
                   +1 :              -0.00012009859711
                   +2 :              -0.00003320138722
              4 vec=     5.396061      5.868340      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00116238703693
                2p
                   -1 :               0.00108991254360
                   +0 :              -0.00045920283953
                   +1 :               0.00030970154374
                3s
                   +0 :              -0.00129490395035
                4s
                   +0 :               0.00109863668803
                3p
                   -1 :              -0.00612872737397
                   +0 :               0.00522022713530
                   +1 :              -0.00164420269859
                4p
                   -1 :               0.00103275827151
                   +0 :              -0.00068724973650
                   +1 :               0.00129481909797
                3d
                   -2 :              -0.00161188529362
                   -1 :              -0.00036469897944
                   +0 :               0.00256949656652
                   +1 :               0.00123306756934
                   +2 :               0.00137837413974
              5 vec=   -10.164264     -3.115418      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00015811660963
                2p
                   -1 :               0.00006621363524
                   +0 :               0.00005245017757
                   +1 :              -0.00012626068917
                3s
                   +0 :              -0.00064565166416
                4s
                   +0 :               0.00024789707342
                3p
                   -1 :               0.00006117433340
                   +0 :              -0.00017305933066
                   +1 :               0.00036343568265
                4p
                   -1 :              -0.00005747215941
                   +0 :               0.00002396647456
                   +1 :              -0.00013028048454
                3d
                   -2 :               0.00005775027165
                   -1 :               0.00036333438568
                   +0 :               0.00029006164336
                   +1 :               0.00010178293975
                   +2 :              -0.00016474369648
              6 vec=    -2.384101     10.360219      2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00002928514195
                2p
                   -1 :               0.00020283912756
                   +0 :               0.00015684668242
                   +1 :               0.00003952048454
                3s
                   +0 :               0.00045488528052
                4s
                   +0 :               0.00035462306653
                3p
                   -1 :              -0.00075831608710
                   +0 :              -0.00077506708752
                   +1 :              -0.00038360613381
                4p
                   -1 :               0.00047022735709
                   +0 :               0.00036605279049
                   +1 :               0.00008035622259
                3d
                   -2 :              -0.00002528707287
                   -1 :              -0.00011434360942
                   +0 :               0.00024979427027
                   +1 :              -0.00019510773393
                   +2 :               0.00023128183731
              7 vec=   -10.164264      5.868340      2.510641   |vec|=   12.002208
                2s
                   +0 :              -0.00018127278094
                2p
                   -1 :              -0.00002424139650
                   +0 :              -0.00020233652902
                   +1 :               0.00016433203576
                3s
                   +0 :               0.00013736320924
                4s
                   +0 :              -0.00034722605418
                3p
                   -1 :               0.00015258487153
                   +0 :               0.00024275520969
                   +1 :              -0.00042295385627
                4p
                   -1 :              -0.00009204392805
                   +0 :              -0.00016140558491
                   +1 :               0.00021144451779
                3d
                   -2 :               0.00007507911881
                   -1 :               0.00006735525591
                   +0 :              -0.00002844358026
                   +1 :               0.00019083761844
                   +2 :               0.00016517833378
              8 vec=     5.396061    -12.099176      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00013712819327
                2p
                   -1 :              -0.00013708369457
                   +0 :               0.00011509048258
                   +1 :              -0.00002232311457
                3s
                   +0 :              -0.00001497593287
                4s
                   +0 :               0.00019359234526
                3p
                   -1 :               0.00041870563539
                   +0 :              -0.00008982898087
                   +1 :               0.00007232738534
                4p
                   -1 :              -0.00020439256474
                   +0 :               0.00013427874616
                   +1 :              -0.00003707166464
                3d
                   -2 :               0.00001670947950
                   -1 :              -0.00009654100313
                   +0 :               0.00021563059896
                   +1 :              -0.00014202448696
                   +2 :              -0.00001114269527
              9 vec=    13.176224      1.376461      2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00008697202833
                2p
                   -1 :              -0.00013295950054
                   +0 :              -0.00003929362728
                   +1 :               0.00000953979995
                3s
                   +0 :               0.00160415299093
                4s
                   +0 :              -0.00035901585962
                3p
                   -1 :               0.00132356182568
                   +0 :               0.00111149628630
                   +1 :               0.00046440306420
                4p
                   -1 :              -0.00028785390342
                   +0 :              -0.00009361327151
                   +1 :              -0.00009124780801
                3d
                   -2 :               0.00032238078081
                   -1 :               0.00022827772613
                   +0 :               0.00033436551639
                   +1 :               0.00030801591684
                   +2 :               0.00000747940023
             10 vec=    13.176224     -7.607297      2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00004629787222
                2p
                   -1 :               0.00001620191480
                   +0 :              -0.00002337889301
                   +1 :              -0.00003351839548
                3s
                   +0 :               0.00030598074807
                4s
                   +0 :              -0.00012256357876
                3p
                   -1 :              -0.00008704746198
                   +0 :               0.00016893428172
                   +1 :               0.00021256058434
                4p
                   -1 :               0.00001703063277
                   +0 :              -0.00004155205976
                   +1 :              -0.00009242195875
                3d
                   -2 :               0.00001075474729
                   -1 :              -0.00005794030842
                   +0 :              -0.00001702683637
                   +1 :               0.00001088298582
                   +2 :               0.00002295829996
             11 vec=   -10.164264    -12.099176      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00001834899241
                2p
                   -1 :               0.00003786579981
                   +0 :              -0.00002154739589
                   +1 :              -0.00005999050113
                3s
                   +0 :              -0.00023608231005
                4s
                   +0 :               0.00008707007037
                3p
                   -1 :              -0.00009397086581
                   +0 :              -0.00000472086013
                   +1 :               0.00029267584714
                4p
                   -1 :               0.00000631394443
                   +0 :               0.00001203268901
                   +1 :              -0.00007980274792
                3d
                   -2 :               0.00000060210139
                   -1 :               0.00002894498617
                   +0 :              -0.00001808832524
                   +1 :              -0.00004153761325
                   +2 :              -0.00002541431296
             12 vec=     5.396061     14.852098      2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00007836413924
                2p
                   -1 :              -0.00007527416102
                   +0 :               0.00000059124719
                   +1 :              -0.00003998942815
                3s
                   +0 :               0.00015224993887
                4s
                   +0 :              -0.00009560699601
                3p
                   -1 :               0.00029712074068
                   +0 :              -0.00004371726696
                   +1 :               0.00014155318401
                4p
                   -1 :              -0.00009479945724
                   +0 :              -0.00001514444767
                   +1 :              -0.00005156739440
                3d
                   -2 :              -0.00002594515758
                   -1 :               0.00000971623259
                   +0 :              -0.00006050493892
                   +1 :              -0.00001602046018
                   +2 :              -0.00003536520936
             13 vec=    -2.384101    -16.591055      2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00000086877145
                2p
                   -1 :              -0.00000501959988
                   +0 :               0.00000296819312
                   +1 :              -0.00000057175742
                3s
                   +0 :               0.00000915376782
                4s
                   +0 :              -0.00001238318283
                3p
                   -1 :              -0.00000534102519
                   +0 :              -0.00000903552656
                   +1 :              -0.00003238209241
                4p
                   -1 :               0.00000641613533
                   +0 :              -0.00000828710553
                   +1 :               0.00002690434608
                3d
                   -2 :              -0.00000015149671
                   -1 :              -0.00000194746312
                   +0 :              -0.00000807134640
                   +1 :               0.00000425393015
                   +2 :               0.00000059965451
             14 vec=    13.176224     10.360219      2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00004092360787
                2p
                   -1 :               0.00002130916116
                   +0 :               0.00001910718725
                   +1 :               0.00000821750299
                3s
                   +0 :              -0.00008590002754
                4s
                   +0 :               0.00005362252945
                3p
                   -1 :              -0.00005596635225
                   +0 :              -0.00005854510303
                   +1 :              -0.00004610000061
                4p
                   -1 :               0.00001145448514
                   +0 :               0.00003299968879
                   +1 :               0.00001341416769
                3d
                   -2 :               0.00001002458565
                   -1 :               0.00002107353476
                   +0 :              -0.00002135520187
                   +1 :              -0.00002369176974
                   +2 :               0.00000242367169
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al(  6)  npairs=  13
              1 vec=    -2.384101      1.376461      9.762967   |vec|=   10.143673
                2s
                   +0 :               0.00034278349699
                2p
                   -1 :              -0.00014858372459
                   +0 :               0.00005776310253
                   +1 :              -0.00012999099685
                3s
                   +0 :              -0.00064318027621
                4s
                   +0 :               0.00016026705097
                3p
                   -1 :               0.00111643873146
                   +0 :              -0.00005760599179
                   +1 :              -0.00027677362833
                4p
                   -1 :              -0.00035779705789
                   +0 :               0.00002606172782
                   +1 :              -0.00008266505545
                3d
                   -2 :               0.00018670427330
                   -1 :               0.00011789874757
                   +0 :               0.00013717224631
                   +1 :              -0.00021310210118
                   +2 :              -0.00053135481436
              2 vec=     5.396061     -3.115418      9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00022179638678
                2p
                   -1 :              -0.00001463909964
                   +0 :              -0.00015763429110
                   +1 :               0.00010266818741
                3s
                   +0 :               0.00101535023421
                4s
                   +0 :              -0.00058486118173
                3p
                   -1 :              -0.00005391355799
                   +0 :               0.00122484383228
                   +1 :              -0.00057096577949
                4p
                   -1 :               0.00011763713043
                   +0 :              -0.00038830372638
                   +1 :               0.00022538940729
                3d
                   -2 :               0.00023361001969
                   -1 :              -0.00006890758393
                   +0 :               0.00037533932949
                   +1 :               0.00003256054546
                   +2 :               0.00025112882783
              3 vec=    -2.384101     -7.607297      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00010435257208
                2p
                   -1 :               0.00005311738087
                   +0 :               0.00000425332406
                   +1 :              -0.00007069267409
                3s
                   +0 :              -0.00176161354931
                4s
                   +0 :               0.00025730957738
                3p
                   -1 :               0.00131063670314
                   +0 :              -0.00053238877142
                   +1 :               0.00033756008452
                4p
                   -1 :              -0.00008778989143
                   +0 :               0.00007891690522
                   +1 :              -0.00013691438553
                3d
                   -2 :               0.00006525563625
                   -1 :               0.00017831121409
                   +0 :               0.00024799781420
                   +1 :               0.00012432805863
                   +2 :               0.00030303726133
              4 vec=     5.396061      5.868340      9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00001621437238
                2p
                   -1 :               0.00015306135677
                   +0 :               0.00002983568921
                   +1 :              -0.00007469442177
                3s
                   +0 :              -0.00000497193729
                4s
                   +0 :              -0.00013110590876
                3p
                   -1 :              -0.00096353501691
                   +0 :              -0.00022284716196
                   +1 :               0.00036534696512
                4p
                   -1 :               0.00035346185489
                   +0 :               0.00003411074158
                   +1 :              -0.00021497159361
                3d
                   -2 :              -0.00023068038625
                   -1 :              -0.00015624621360
                   +0 :              -0.00001042102462
                   +1 :              -0.00021572069004
                   +2 :              -0.00013336729047
              5 vec=   -10.164264     -3.115418      9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00022307307926
                2p
                   -1 :              -0.00004165246351
                   +0 :               0.00006301600500
                   +1 :              -0.00000613529687
                3s
                   +0 :              -0.00060033806419
                4s
                   +0 :               0.00015499177747
                3p
                   -1 :               0.00013179063458
                   +0 :              -0.00028851197883
                   +1 :              -0.00003726548796
                4p
                   -1 :              -0.00002118117878
                   +0 :               0.00005571047823
                   +1 :               0.00005154291777
                3d
                   -2 :               0.00007681850979
                   -1 :               0.00005402621490
                   +0 :               0.00001814523224
                   +1 :              -0.00001081924030
                   +2 :               0.00009121847302
              6 vec=    -2.384101     10.360219      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00003005064526
                2p
                   -1 :               0.00006399345904
                   +0 :              -0.00000718026845
                   +1 :               0.00015990582243
                3s
                   +0 :               0.00003784185335
                4s
                   +0 :               0.00010301865346
                3p
                   -1 :              -0.00044880789782
                   +0 :               0.00005525809921
                   +1 :              -0.00089209973828
                4p
                   -1 :               0.00019766355449
                   +0 :              -0.00000586747122
                   +1 :               0.00016468909855
                3d
                   -2 :              -0.00019275216738
                   -1 :              -0.00005637056685
                   +0 :              -0.00002754315356
                   +1 :              -0.00022329565900
                   +2 :               0.00012986749835
              7 vec=    -2.384101      1.376461    -14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00002523362594
                2p
                   -1 :              -0.00002257366457
                   +0 :              -0.00000354578269
                   +1 :               0.00000027470755
                3s
                   +0 :              -0.00020142080154
                4s
                   +0 :               0.00001180960566
                3p
                   -1 :               0.00013170525455
                   +0 :               0.00012645148854
                   +1 :              -0.00009395218080
                4p
                   -1 :              -0.00001879387776
                   +0 :              -0.00000814071914
                   +1 :               0.00004621001098
                3d
                   -2 :              -0.00001654183902
                   -1 :              -0.00000737137838
                   +0 :              -0.00002238695176
                   +1 :               0.00001441722498
                   +2 :              -0.00005328015575
              8 vec=   -10.164264      5.868340      9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00023258975902
                2p
                   -1 :              -0.00000726228411
                   +0 :              -0.00012738802974
                   +1 :               0.00014131332756
                3s
                   +0 :               0.00084297299295
                4s
                   +0 :              -0.00018898607021
                3p
                   -1 :              -0.00001304269037
                   +0 :               0.00061272331503
                   +1 :              -0.00085137710428
                4p
                   -1 :               0.00008727734258
                   +0 :              -0.00011203287566
                   +1 :               0.00020933487387
                3d
                   -2 :              -0.00010954585439
                   -1 :               0.00011801583595
                   +0 :              -0.00000235076016
                   +1 :              -0.00024854047049
                   +2 :               0.00013539726272
              9 vec=     5.396061     -3.115418    -14.784576   |vec|=   16.043908
                2s
                   +0 :               0.00000039854897
                2p
                   -1 :              -0.00002706140216
                   +0 :              -0.00000608931670
                   +1 :               0.00000387850763
                3s
                   +0 :               0.00025306115881
                4s
                   +0 :               0.00000567124566
                3p
                   -1 :               0.00013196981520
                   +0 :              -0.00010972470878
                   +1 :              -0.00003072316396
                4p
                   -1 :              -0.00004671609460
                   +0 :              -0.00001031039084
                   +1 :               0.00000821674578
                3d
                   -2 :              -0.00001350065103
                   -1 :               0.00001849790847
                   +0 :               0.00001690320335
                   +1 :              -0.00000000698818
                   +2 :              -0.00001917469384
             10 vec=     5.396061    -12.099176      9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00008858871041
                2p
                   -1 :              -0.00005724811077
                   +0 :              -0.00000548657050
                   +1 :              -0.00001131703714
                3s
                   +0 :              -0.00022106532403
                4s
                   +0 :               0.00006388739172
                3p
                   -1 :               0.00023679848405
                   +0 :               0.00012780656395
                   +1 :               0.00005088731062
                4p
                   -1 :              -0.00003873816645
                   +0 :              -0.00003017510925
                   +1 :              -0.00002348247994
                3d
                   -2 :              -0.00002727223945
                   -1 :              -0.00001137467789
                   +0 :               0.00004215130853
                   +1 :               0.00002353356925
                   +2 :               0.00006205680650
             11 vec=    13.176224      1.376461      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00003125708524
                2p
                   -1 :               0.00000841738350
                   +0 :              -0.00001393301986
                   +1 :              -0.00000150447621
                3s
                   +0 :               0.00028838160639
                4s
                   +0 :              -0.00009008739742
                3p
                   -1 :               0.00003507840527
                   +0 :               0.00016807749578
                   +1 :               0.00013146858248
                4p
                   -1 :               0.00000233755962
                   +0 :              -0.00004588142891
                   +1 :              -0.00004113279873
                3d
                   -2 :               0.00004833466603
                   -1 :               0.00003544556937
                   +0 :              -0.00000659224217
                   +1 :               0.00002506775915
                   +2 :              -0.00001126944309
             12 vec=    -2.384101     -7.607297    -14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00002023314514
                2p
                   -1 :               0.00000929225946
                   +0 :               0.00000315444933
                   +1 :              -0.00000519448101
                3s
                   +0 :               0.00005505260120
                4s
                   +0 :              -0.00004449456091
                3p
                   -1 :              -0.00006190350116
                   +0 :              -0.00004325786479
                   +1 :              -0.00000989128353
                4p
                   -1 :               0.00001710002075
                   +0 :               0.00000538583011
                   +1 :               0.00000092227124
                3d
                   -2 :               0.00003173669866
                   -1 :               0.00003789305368
                   +0 :               0.00000558150594
                   +1 :               0.00001883708938
                   +2 :              -0.00001488222992
             13 vec=     5.396061      5.868340    -14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00005727218839
                2p
                   -1 :              -0.00000111677046
                   +0 :              -0.00000221446174
                   +1 :              -0.00000648386704
                3s
                   +0 :               0.00020976591689
                4s
                   +0 :              -0.00001616441351
                3p
                   -1 :               0.00008021232978
                   +0 :               0.00002956967708
                   +1 :               0.00004442036488
                4p
                   -1 :              -0.00000056947727
                   +0 :              -0.00003979168362
                   +1 :              -0.00002732346938
                3d
                   -2 :               0.00004139531468
                   -1 :              -0.00002426688095
                   +0 :              -0.00005890505716
                   +1 :               0.00001989774547
                   +2 :              -0.00003040962076
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al(  7)  npairs=  14
              1 vec=    -2.384101      1.376461     -2.510804   |vec|=    3.725953
                2s
                   +0 :              -0.02119771375799
                2p
                   -1 :              -0.01377990080765
                   +0 :               0.01901337982917
                   +1 :               0.01718647937187
                3s
                   +0 :              -0.06221139382451
                4s
                   +0 :              -0.00907034458368
                3p
                   -1 :              -0.01465878418822
                   +0 :               0.05426696414509
                   +1 :               0.02049144064824
                4p
                   -1 :              -0.00915948960545
                   +0 :               0.00805757639125
                   +1 :               0.00893165283573
                3d
                   -2 :               0.01852823000469
                   -1 :               0.02734292416391
                   +0 :              -0.01961208234933
                   +1 :              -0.02928508058502
                   +2 :               0.00058844884360
              2 vec=     5.396061     -3.115418     -2.510804   |vec|=    6.717696
                2s
                   +0 :              -0.00362263690188
                2p
                   -1 :               0.00233947256374
                   +0 :               0.00146445243899
                   +1 :              -0.00175512539879
                3s
                   +0 :               0.01056289349083
                4s
                   +0 :              -0.00805395147702
                3p
                   -1 :              -0.00898648299700
                   +0 :              -0.00470056491408
                   +1 :               0.00261884976980
                4p
                   -1 :               0.00378541073902
                   +0 :               0.00252049577649
                   +1 :              -0.00297707596791
                3d
                   -2 :               0.00000685197285
                   -1 :               0.00144386532547
                   +0 :               0.00068663200110
                   +1 :              -0.00053709654722
                   +2 :               0.00001594311126
              3 vec=    -2.384101     -7.607297     -2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00026111737392
                2p
                   -1 :               0.00013973433901
                   +0 :               0.00012503316534
                   +1 :              -0.00038473593000
                3s
                   +0 :              -0.00292331897323
                4s
                   +0 :               0.00008597908578
                3p
                   -1 :               0.00015259179048
                   +0 :               0.00143395821849
                   +1 :               0.00069985129462
                4p
                   -1 :               0.00022430705174
                   +0 :               0.00020675136437
                   +1 :              -0.00023907013440
                3d
                   -2 :              -0.00025301308970
                   -1 :              -0.00072368986811
                   +0 :              -0.00075732024315
                   +1 :               0.00031364751609
                   +2 :              -0.00035632418580
              4 vec=     5.396061      5.868340     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00086325310857
                2p
                   -1 :               0.00019145042319
                   +0 :               0.00035601518447
                   +1 :              -0.00082723695652
                3s
                   +0 :               0.00315214104191
                4s
                   +0 :               0.00189576788282
                3p
                   -1 :              -0.00601341402225
                   +0 :              -0.00439232188271
                   +1 :               0.00454963462834
                4p
                   -1 :               0.00299562411160
                   +0 :              -0.00006086965367
                   +1 :              -0.00008042966372
                3d
                   -2 :              -0.00104128644815
                   -1 :               0.00104986038242
                   +0 :               0.00134028281181
                   +1 :              -0.00107756118646
                   +2 :               0.00153294076454
              5 vec=   -10.164264     -3.115418     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00060223307807
                2p
                   -1 :              -0.00013024032402
                   +0 :              -0.00005643639177
                   +1 :               0.00023667184982
                3s
                   +0 :               0.00067391639893
                4s
                   +0 :               0.00044851253883
                3p
                   -1 :               0.00129124908631
                   +0 :               0.00014971232919
                   +1 :              -0.00000267729240
                4p
                   -1 :              -0.00043282134658
                   +0 :              -0.00018649527003
                   +1 :              -0.00045893310352
                3d
                   -2 :              -0.00029432157498
                   -1 :              -0.00038544185616
                   +0 :               0.00003073134978
                   +1 :              -0.00002572454590
                   +2 :              -0.00010228403886
              6 vec=    -2.384101     10.360219     -2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00031368705248
                2p
                   -1 :               0.00003332995402
                   +0 :              -0.00003244517663
                   +1 :               0.00007665607710
                3s
                   +0 :              -0.00064740026547
                4s
                   +0 :               0.00044025896668
                3p
                   -1 :               0.00031293522698
                   +0 :              -0.00012031164919
                   +1 :              -0.00078069611819
                4p
                   -1 :               0.00001096606390
                   +0 :               0.00002348500829
                   +1 :               0.00017843593945
                3d
                   -2 :              -0.00019959388332
                   -1 :              -0.00003188298091
                   +0 :               0.00016262172683
                   +1 :               0.00001158013117
                   +2 :              -0.00006336774779
              7 vec=   -10.164264      5.868340     -2.510804   |vec|=   12.002242
                2s
                   +0 :              -0.00030721446642
                2p
                   -1 :              -0.00010688702356
                   +0 :               0.00011796026393
                   +1 :               0.00009733543909
                3s
                   +0 :               0.00044526980584
                4s
                   +0 :              -0.00036552710941
                3p
                   -1 :               0.00031768547505
                   +0 :               0.00006533795940
                   +1 :              -0.00019980807235
                4p
                   -1 :              -0.00000848430537
                   +0 :               0.00012579848114
                   +1 :               0.00019443218518
                3d
                   -2 :              -0.00012634952763
                   -1 :               0.00005295480455
                   +0 :              -0.00011471670142
                   +1 :              -0.00015372452707
                   +2 :              -0.00053500470901
              8 vec=     5.396061    -12.099176     -2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00002235887519
                2p
                   -1 :              -0.00000144232585
                   +0 :              -0.00005281518855
                   +1 :               0.00005573000322
                3s
                   +0 :               0.00057665156758
                4s
                   +0 :              -0.00005957709003
                3p
                   -1 :              -0.00035850828722
                   +0 :              -0.00024714535562
                   +1 :              -0.00050429518094
                4p
                   -1 :               0.00004856454044
                   +0 :              -0.00006892782461
                   +1 :               0.00016228286441
                3d
                   -2 :               0.00011069886279
                   -1 :               0.00010372173078
                   +0 :               0.00017758670633
                   +1 :               0.00010259545348
                   +2 :              -0.00007539989322
              9 vec=    13.176224      1.376461     -2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00011600226809
                2p
                   -1 :               0.00038851754963
                   +0 :              -0.00026637021370
                   +1 :               0.00005399466864
                3s
                   +0 :               0.00046920122300
                4s
                   +0 :               0.00017680106783
                3p
                   -1 :              -0.00159122899377
                   +0 :               0.00018347272313
                   +1 :               0.00019840849002
                4p
                   -1 :               0.00054264009408
                   +0 :              -0.00011605256479
                   +1 :               0.00005391524436
                3d
                   -2 :              -0.00031878574488
                   -1 :              -0.00016361505780
                   +0 :               0.00015988717903
                   +1 :              -0.00003394527797
                   +2 :               0.00021085313724
             10 vec=    13.176224     -7.607297     -2.510804   |vec|=   15.420376
                2s
                   +0 :               0.00001340793202
                2p
                   -1 :              -0.00001042475884
                   +0 :              -0.00000710085566
                   +1 :              -0.00000854358462
                3s
                   +0 :               0.00010365824521
                4s
                   +0 :              -0.00007305732157
                3p
                   -1 :              -0.00003860862078
                   +0 :               0.00003160026708
                   +1 :               0.00009005781713
                4p
                   -1 :               0.00006411344547
                   +0 :              -0.00003065884981
                   +1 :              -0.00004261536771
                3d
                   -2 :              -0.00002800187252
                   -1 :              -0.00002449621102
                   +0 :               0.00001611893685
                   +1 :              -0.00001784944333
                   +2 :              -0.00001205046738
             11 vec=   -10.164264    -12.099176     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00003567367475
                2p
                   -1 :               0.00003797618564
                   +0 :               0.00004236374729
                   +1 :              -0.00000660547235
                3s
                   +0 :              -0.00003178420893
                4s
                   +0 :              -0.00002620206255
                3p
                   -1 :              -0.00018214036303
                   +0 :              -0.00019969281077
                   +1 :               0.00006867659186
                4p
                   -1 :               0.00005292077603
                   +0 :               0.00006294762745
                   +1 :              -0.00002378352239
                3d
                   -2 :               0.00002213921137
                   -1 :               0.00001513642596
                   +0 :              -0.00002936507739
                   +1 :               0.00003803231142
                   +2 :               0.00000372185165
             12 vec=     5.396061     14.852098     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00000718665322
                2p
                   -1 :              -0.00003092040422
                   +0 :              -0.00001987302649
                   +1 :              -0.00004089584927
                3s
                   +0 :              -0.00009812838662
                4s
                   +0 :              -0.00005524792590
                3p
                   -1 :               0.00010647785647
                   +0 :               0.00018211023139
                   +1 :               0.00015308820082
                4p
                   -1 :              -0.00006896488730
                   +0 :              -0.00003887354924
                   +1 :              -0.00004308358048
                3d
                   -2 :               0.00005646447005
                   -1 :              -0.00001543130394
                   +0 :              -0.00001453255852
                   +1 :               0.00010979860931
                   +2 :              -0.00003853022803
             13 vec=    -2.384101    -16.591055     -2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00002445629083
                2p
                   -1 :               0.00001753083980
                   +0 :               0.00001142051733
                   +1 :               0.00000666421324
                3s
                   +0 :               0.00006061989492
                4s
                   +0 :              -0.00001921809260
                3p
                   -1 :              -0.00008832455316
                   +0 :              -0.00005409367597
                   +1 :              -0.00002597778911
                4p
                   -1 :               0.00002717516736
                   +0 :               0.00001262158566
                   +1 :               0.00000444721891
                3d
                   -2 :              -0.00000643913860
                   -1 :               0.00001173081627
                   +0 :              -0.00001297051159
                   +1 :              -0.00000914983597
                   +2 :              -0.00000320381106
             14 vec=    13.176224     10.360219     -2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00003669068827
                2p
                   -1 :              -0.00002009096843
                   +0 :              -0.00000686796053
                   +1 :               0.00000892853865
                3s
                   +0 :               0.00025442384125
                4s
                   +0 :              -0.00011921414260
                3p
                   -1 :               0.00012895804190
                   +0 :              -0.00004480129739
                   +1 :               0.00001475776816
                4p
                   -1 :              -0.00002908678262
                   +0 :               0.00002345907728
                   +1 :              -0.00003515245454
                3d
                   -2 :               0.00002001796651
                   -1 :              -0.00000760873412
                   +0 :               0.00001438852789
                   +1 :              -0.00002900576210
                   +2 :               0.00000525484552
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al(  8)  npairs=  13
              1 vec=    -2.384101      1.376461     -9.763130   |vec|=   10.143831
                2s
                   +0 :               0.00021692665030
                2p
                   -1 :               0.00026438786645
                   +0 :              -0.00013044192539
                   +1 :              -0.00006109792969
                3s
                   +0 :               0.00010030264207
                4s
                   +0 :              -0.00006643448307
                3p
                   -1 :              -0.00096290021978
                   +0 :               0.00007200226857
                   +1 :              -0.00068134195237
                4p
                   -1 :               0.00043801235612
                   +0 :               0.00006292513805
                   +1 :               0.00005794006109
                3d
                   -2 :               0.00057854157845
                   -1 :              -0.00006910236227
                   +0 :               0.00005236342602
                   +1 :               0.00019014533461
                   +2 :               0.00013545238489
              2 vec=     5.396061     -3.115418     -9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00037499677698
                2p
                   -1 :               0.00037836901718
                   +0 :               0.00016860136641
                   +1 :              -0.00002525342474
                3s
                   +0 :               0.00159529729773
                4s
                   +0 :              -0.00076112225764
                3p
                   -1 :              -0.00169983932507
                   +0 :              -0.00114329061455
                   +1 :               0.00034754841125
                4p
                   -1 :               0.00031902286447
                   +0 :               0.00047712015654
                   +1 :              -0.00019137889917
                3d
                   -2 :              -0.00012421233140
                   -1 :               0.00040677147100
                   +0 :               0.00021120186285
                   +1 :              -0.00003810787766
                   +2 :              -0.00027068178485
              3 vec=    -2.384101     -7.607297     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00002368048088
                2p
                   -1 :               0.00009209461470
                   +0 :              -0.00002872063899
                   +1 :               0.00000523685129
                3s
                   +0 :              -0.00123901176581
                4s
                   +0 :              -0.00001384950864
                3p
                   -1 :               0.00084965802104
                   +0 :               0.00047094507597
                   +1 :               0.00026168892369
                4p
                   -1 :               0.00004752590528
                   +0 :              -0.00005600897502
                   +1 :              -0.00001657714746
                3d
                   -2 :              -0.00006284841309
                   -1 :              -0.00036671733570
                   +0 :               0.00011858802441
                   +1 :              -0.00010557572863
                   +2 :               0.00038485630737
              4 vec=     5.396061      5.868340     -9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00005240385522
                2p
                   -1 :               0.00012994627382
                   +0 :              -0.00009489058283
                   +1 :               0.00025129632090
                3s
                   +0 :              -0.00025921997826
                4s
                   +0 :               0.00024169153385
                3p
                   -1 :              -0.00073972641032
                   +0 :               0.00065467442407
                   +1 :              -0.00112115292663
                4p
                   -1 :               0.00025506489785
                   +0 :              -0.00036620674803
                   +1 :               0.00021638953292
                3d
                   -2 :              -0.00006076868972
                   -1 :               0.00020089662224
                   +0 :               0.00003632037796
                   +1 :               0.00009522079835
                   +2 :               0.00015774468903
              5 vec=   -10.164264     -3.115418     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00002205853211
                2p
                   -1 :              -0.00008387940711
                   +0 :              -0.00003051791756
                   +1 :              -0.00006786642004
                3s
                   +0 :              -0.00019558391044
                4s
                   +0 :               0.00014981385266
                3p
                   -1 :               0.00039940230188
                   +0 :               0.00019916672093
                   +1 :               0.00032691279437
                4p
                   -1 :              -0.00011439256659
                   +0 :              -0.00011011346580
                   +1 :              -0.00012699744066
                3d
                   -2 :              -0.00010833677276
                   -1 :              -0.00009906157743
                   +0 :              -0.00005354057202
                   +1 :              -0.00002047696146
                   +2 :              -0.00001300714986
              6 vec=    -2.384101     10.360219     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00011985718016
                2p
                   -1 :              -0.00004702687233
                   +0 :              -0.00003470921243
                   +1 :               0.00008251323899
                3s
                   +0 :              -0.00024136847270
                4s
                   +0 :               0.00002793648468
                3p
                   -1 :               0.00043108892939
                   +0 :               0.00005911374510
                   +1 :              -0.00042459091968
                4p
                   -1 :              -0.00015970952129
                   +0 :               0.00000438589927
                   +1 :               0.00003305525412
                3d
                   -2 :              -0.00013693839102
                   -1 :              -0.00007259249601
                   +0 :              -0.00002197606630
                   +1 :               0.00014493631351
                   +2 :              -0.00016415100170
              7 vec=    -2.384101      1.376461     14.784412   |vec|=   15.038531
                2s
                   +0 :              -0.00003913331583
                2p
                   -1 :               0.00001782390141
                   +0 :               0.00000192919197
                   +1 :              -0.00001136944260
                3s
                   +0 :               0.00001408320574
                4s
                   +0 :               0.00000154540074
                3p
                   -1 :              -0.00002418920876
                   +0 :              -0.00009528889282
                   +1 :               0.00005288066406
                4p
                   -1 :              -0.00002410544392
                   +0 :               0.00003319925167
                   +1 :               0.00000133498758
                3d
                   -2 :               0.00007802779582
                   -1 :               0.00001290337428
                   +0 :              -0.00005360121181
                   +1 :               0.00004706941877
                   +2 :               0.00008013811493
              8 vec=   -10.164264      5.868340     -9.763130   |vec|=   15.266578
                2s
                   +0 :              -0.00034159797200
                2p
                   -1 :              -0.00016914254614
                   +0 :               0.00013622949395
                   +1 :               0.00010820139096
                3s
                   +0 :               0.00106518976719
                4s
                   +0 :              -0.00023229443766
                3p
                   -1 :               0.00088932611446
                   +0 :              -0.00062799343637
                   +1 :              -0.00042424900047
                4p
                   -1 :              -0.00022356109558
                   +0 :               0.00013055572048
                   +1 :               0.00002405415213
                3d
                   -2 :              -0.00017362282330
                   -1 :              -0.00016289370083
                   +0 :               0.00000653844511
                   +1 :               0.00025762762793
                   +2 :               0.00007144842492
              9 vec=     5.396061     -3.115418     14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00010473479691
                2p
                   -1 :              -0.00000074760307
                   +0 :              -0.00002629203304
                   +1 :              -0.00002403805978
                3s
                   +0 :               0.00040802399516
                4s
                   +0 :              -0.00012108758373
                3p
                   -1 :               0.00006557090584
                   +0 :               0.00010704812874
                   +1 :               0.00001968057190
                4p
                   -1 :               0.00000788291282
                   +0 :              -0.00001661710228
                   +1 :              -0.00001173211551
                3d
                   -2 :              -0.00003617142190
                   -1 :               0.00001403164765
                   +0 :              -0.00002384290155
                   +1 :              -0.00001759273191
                   +2 :               0.00000350217782
             10 vec=     5.396061    -12.099176     -9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00001972416240
                2p
                   -1 :               0.00001080583473
                   +0 :               0.00001801221644
                   +1 :              -0.00000593736444
                3s
                   +0 :               0.00013990730785
                4s
                   +0 :              -0.00001333953457
                3p
                   -1 :              -0.00010767154317
                   +0 :              -0.00012508007455
                   +1 :              -0.00001542697766
                4p
                   -1 :               0.00000914504189
                   +0 :               0.00001133847709
                   +1 :               0.00001195561659
                3d
                   -2 :               0.00000546380794
                   -1 :               0.00004061778220
                   +0 :               0.00002104056231
                   +1 :               0.00000095500987
                   +2 :              -0.00002196055210
             11 vec=    13.176224      1.376461     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00008917347548
                2p
                   -1 :               0.00005079832305
                   +0 :               0.00000046662453
                   +1 :               0.00010721909502
                3s
                   +0 :              -0.00018694342073
                4s
                   +0 :               0.00011006888277
                3p
                   -1 :              -0.00015930126610
                   +0 :              -0.00008894314675
                   +1 :              -0.00042940253017
                4p
                   -1 :               0.00000765483717
                   +0 :               0.00003460662009
                   +1 :               0.00011721853377
                3d
                   -2 :              -0.00001962836389
                   -1 :               0.00004097418259
                   +0 :               0.00001554893178
                   +1 :               0.00001673235991
                   +2 :              -0.00004917852379
             12 vec=    -2.384101     -7.607297     14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00000071702579
                2p
                   -1 :              -0.00003340731845
                   +0 :               0.00000552909631
                   +1 :              -0.00000316766727
                3s
                   +0 :               0.00004237254738
                4s
                   +0 :               0.00000799839377
                3p
                   -1 :               0.00011272505847
                   +0 :               0.00008772253926
                   +1 :              -0.00014350991481
                4p
                   -1 :              -0.00003096211833
                   +0 :               0.00000925683524
                   +1 :               0.00000461371001
                3d
                   -2 :               0.00003281469267
                   -1 :              -0.00000814727364
                   +0 :               0.00003737535518
                   +1 :              -0.00005060010643
                   +2 :              -0.00001071618658
             13 vec=     5.396061      5.868340     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00011683015658
                2p
                   -1 :              -0.00000542969471
                   +0 :              -0.00002134561676
                   +1 :              -0.00001254547697
                3s
                   +0 :               0.00046556906682
                4s
                   +0 :              -0.00010439848082
                3p
                   -1 :               0.00015858516718
                   +0 :               0.00013969143382
                   +1 :               0.00006250099816
                4p
                   -1 :              -0.00002128687853
                   +0 :              -0.00000507505291
                   +1 :              -0.00002817817119
                3d
                   -2 :               0.00005356995878
                   -1 :               0.00003555722587
                   +0 :              -0.00003076964261
                   +1 :               0.00002668455255
                   +2 :              -0.00007281338807
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al(  9)  npairs=  15
              1 vec=     2.802674      1.376461     10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00056028033708
                2p
                   -1 :               0.00015425745507
                   +0 :               0.00021208682691
                   +1 :               0.00007532023882
                3s
                   +0 :              -0.00161275749233
                4s
                   +0 :               0.00040699386776
                3p
                   -1 :              -0.00085217343034
                   +0 :              -0.00109909844966
                   +1 :              -0.00105691430906
                4p
                   -1 :               0.00012632565950
                   +0 :               0.00031231938506
                   +1 :               0.00014841194475
                3d
                   -2 :               0.00003200924848
                   -1 :              -0.00029052590479
                   +0 :               0.00017042259944
                   +1 :              -0.00025756650960
                   +2 :               0.00000040491433
              2 vec=    -4.977489     -3.115418     10.693319   |vec|=   12.199520
                2s
                   +0 :              -0.00024185254093
                2p
                   -1 :               0.00009730824986
                   +0 :              -0.00010828863364
                   +1 :               0.00009496561836
                3s
                   +0 :               0.00023934108692
                4s
                   +0 :               0.00004376244525
                3p
                   -1 :              -0.00050493242203
                   +0 :               0.00035989819052
                   +1 :              -0.00030589344442
                4p
                   -1 :              -0.00003894270653
                   +0 :               0.00001640554007
                   +1 :               0.00010943524376
                3d
                   -2 :               0.00027800546669
                   -1 :              -0.00020233324772
                   +0 :               0.00018347090186
                   +1 :              -0.00007254217775
                   +2 :               0.00001180415519
              3 vec=    -4.977489      5.868340     10.693319   |vec|=   13.174213
                2s
                   +0 :               0.00033968687068
                2p
                   -1 :               0.00026955860075
                   +0 :               0.00015332042683
                   +1 :              -0.00005952633813
                3s
                   +0 :              -0.00061829852975
                4s
                   +0 :               0.00018349624881
                3p
                   -1 :              -0.00113868528310
                   +0 :              -0.00036633222734
                   +1 :              -0.00023539265427
                4p
                   -1 :               0.00028855493698
                   +0 :               0.00009828902361
                   +1 :               0.00014697732467
                3d
                   -2 :               0.00001410239250
                   -1 :              -0.00021173958207
                   +0 :              -0.00008015353201
                   +1 :              -0.00007893716633
                   +2 :               0.00023523552651
              4 vec=     2.802674     -7.607297     10.693319   |vec|=   13.419128
                2s
                   +0 :               0.00006980881096
                2p
                   -1 :              -0.00009899982557
                   +0 :               0.00011594934269
                   +1 :              -0.00008459884938
                3s
                   +0 :               0.00106777186300
                4s
                   +0 :              -0.00009480967965
                3p
                   -1 :              -0.00059276306473
                   +0 :               0.00037989135678
                   +1 :               0.00059793055378
                4p
                   -1 :               0.00000142322301
                   +0 :               0.00007761691897
                   +1 :              -0.00020046996055
                3d
                   -2 :              -0.00010779812640
                   -1 :              -0.00022040131058
                   +0 :              -0.00004689971712
                   +1 :               0.00007524560790
                   +2 :              -0.00027981009299
              5 vec=     2.802674      1.376461    -13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00009249238248
                2p
                   -1 :               0.00000990364641
                   +0 :              -0.00001321942798
                   +1 :               0.00005612247474
                3s
                   +0 :              -0.00015032088871
                4s
                   +0 :               0.00002629726845
                3p
                   -1 :              -0.00004194962412
                   +0 :               0.00003868832411
                   +1 :              -0.00032343444857
                4p
                   -1 :              -0.00000772890347
                   +0 :               0.00001905701380
                   +1 :               0.00005670777641
                3d
                   -2 :              -0.00000450549542
                   -1 :              -0.00003553916697
                   +0 :              -0.00001666135452
                   +1 :              -0.00001967810808
                   +2 :              -0.00002906696803
              6 vec=    -4.977489     -3.115418    -13.854224   |vec|=   15.047283
                2s
                   +0 :              -0.00001471844267
                2p
                   -1 :               0.00001280976435
                   +0 :              -0.00001863942913
                   +1 :               0.00001518167588
                3s
                   +0 :              -0.00007016631684
                4s
                   +0 :               0.00001357764523
                3p
                   -1 :              -0.00006707776561
                   +0 :               0.00010322868541
                   +1 :              -0.00014073680765
                4p
                   -1 :               0.00000849085772
                   +0 :              -0.00004261978735
                   +1 :               0.00000632640376
                3d
                   -2 :               0.00000558676596
                   -1 :              -0.00004072891327
                   +0 :              -0.00000084441668
                   +1 :              -0.00001408680764
                   +2 :               0.00007169710083
              7 vec=     2.802674     10.360219     10.693319   |vec|=   15.150452
                2s
                   +0 :               0.00008092374012
                2p
                   -1 :               0.00005527948632
                   +0 :               0.00005934178929
                   +1 :              -0.00001364237097
                3s
                   +0 :              -0.00056151626979
                4s
                   +0 :               0.00024600640469
                3p
                   -1 :              -0.00046951906467
                   +0 :              -0.00045911474748
                   +1 :               0.00001301866083
                4p
                   -1 :               0.00015171021292
                   +0 :               0.00011228304284
                   +1 :              -0.00001785627032
                3d
                   -2 :              -0.00003533470536
                   -1 :              -0.00011920599461
                   +0 :              -0.00008280057690
                   +1 :              -0.00001222954524
                   +2 :               0.00007131914118
              8 vec=    10.582837     -3.115418     10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00002904212471
                2p
                   -1 :              -0.00001898310880
                   +0 :               0.00002946267104
                   +1 :               0.00000201871549
                3s
                   +0 :               0.00014056889079
                4s
                   +0 :               0.00003483780527
                3p
                   -1 :               0.00021549010740
                   +0 :              -0.00012783392083
                   +1 :              -0.00004913532807
                4p
                   -1 :              -0.00005693911753
                   +0 :               0.00006260869425
                   +1 :               0.00006223237901
                3d
                   -2 :               0.00006130709391
                   -1 :               0.00002793593376
                   +0 :               0.00001179320831
                   +1 :              -0.00002989973740
                   +2 :              -0.00000647886756
              9 vec=    -4.977489      5.868340    -13.854224   |vec|=   15.847786
                2s
                   +0 :              -0.00004397629410
                2p
                   -1 :               0.00000017882646
                   +0 :               0.00004393901735
                   +1 :              -0.00000992981698
                3s
                   +0 :               0.00006070424127
                4s
                   +0 :              -0.00004526008729
                3p
                   -1 :              -0.00012791235794
                   +0 :              -0.00021966954441
                   +1 :               0.00006019521269
                4p
                   -1 :              -0.00000219947466
                   +0 :               0.00006707888076
                   +1 :              -0.00000818076881
                3d
                   -2 :               0.00000161217324
                   -1 :               0.00001673013207
                   +0 :               0.00005028917285
                   +1 :              -0.00001363670525
                   +2 :               0.00000847937763
             10 vec=     2.802674     -7.607297    -13.854224   |vec|=   16.051961
                2s
                   +0 :              -0.00007381444589
                2p
                   -1 :               0.00000841593551
                   +0 :               0.00001323534814
                   +1 :               0.00002510775450
                3s
                   +0 :               0.00016255479983
                4s
                   +0 :              -0.00008326339015
                3p
                   -1 :               0.00003863154634
                   +0 :              -0.00008300373986
                   +1 :              -0.00026015342964
                4p
                   -1 :              -0.00001083157218
                   +0 :               0.00002364128194
                   +1 :               0.00003484930824
                3d
                   -2 :               0.00003580816911
                   -1 :              -0.00000859809621
                   +0 :               0.00006102172407
                   +1 :               0.00000467092419
                   +2 :               0.00000703149145
             11 vec=    10.582837      5.868340     10.693319   |vec|=   16.148712
                2s
                   +0 :               0.00025581593908
                2p
                   -1 :               0.00003481619415
                   +0 :               0.00009221550628
                   +1 :               0.00011309776503
                3s
                   +0 :              -0.00080972216166
                4s
                   +0 :               0.00026035229970
                3p
                   -1 :              -0.00013649000055
                   +0 :              -0.00041556360187
                   +1 :              -0.00049762148317
                4p
                   -1 :               0.00001935405387
                   +0 :               0.00011844942253
                   +1 :               0.00009695524378
                3d
                   -2 :              -0.00000006714176
                   -1 :              -0.00003569212845
                   +0 :              -0.00002719004601
                   +1 :              -0.00009042081859
                   +2 :              -0.00004719273087
             12 vec=   -12.757651      1.376461     10.693319   |vec|=   16.703274
                2s
                   +0 :              -0.00002947862612
                2p
                   -1 :              -0.00000004312583
                   +0 :              -0.00004797013384
                   +1 :               0.00003100051393
                3s
                   +0 :               0.00001700012861
                4s
                   +0 :              -0.00010036535898
                3p
                   -1 :              -0.00004901412811
                   +0 :               0.00016763659502
                   +1 :              -0.00012484106765
                4p
                   -1 :               0.00000033879166
                   +0 :              -0.00009313005497
                   +1 :               0.00006330937871
                3d
                   -2 :               0.00008166533132
                   -1 :              -0.00000283222301
                   +0 :               0.00005472843387
                   +1 :              -0.00001174594503
                   +2 :               0.00001618881783
             13 vec=    -4.977489    -12.099176     10.693319   |vec|=   16.897115
                2s
                   +0 :               0.00008022427828
                2p
                   -1 :              -0.00004631046944
                   +0 :               0.00002756111535
                   +1 :              -0.00002480003249
                3s
                   +0 :              -0.00026630842906
                4s
                   +0 :               0.00007399455100
                3p
                   -1 :               0.00020420977843
                   +0 :              -0.00016556488644
                   +1 :               0.00015349473049
                4p
                   -1 :              -0.00004661289189
                   +0 :               0.00002202803794
                   +1 :              -0.00006050022530
                3d
                   -2 :              -0.00005695052275
                   -1 :               0.00005604030083
                   +0 :              -0.00000947774517
                   +1 :               0.00000032538315
                   +2 :               0.00001190828164
             14 vec=     2.802674     10.360219    -13.854224   |vec|=   17.525086
                2s
                   +0 :              -0.00006919582246
                2p
                   -1 :              -0.00002591378665
                   +0 :               0.00000554945307
                   +1 :              -0.00001002907656
                3s
                   +0 :               0.00019954059342
                4s
                   +0 :              -0.00004651064126
                3p
                   -1 :               0.00009684842360
                   +0 :               0.00000242146473
                   +1 :               0.00006206837702
                4p
                   -1 :              -0.00002438820165
                   +0 :              -0.00002478083300
                   +1 :              -0.00000003311994
                3d
                   -2 :               0.00001510706693
                   -1 :              -0.00002170253220
                   +0 :              -0.00001669609971
                   +1 :              -0.00002253655272
                   +2 :              -0.00001138840998
             15 vec=    10.582837     -3.115418    -13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00003248194185
                2p
                   -1 :              -0.00002307680314
                   +0 :              -0.00000660121264
                   +1 :               0.00002453777643
                3s
                   +0 :               0.00000460387398
                4s
                   +0 :               0.00002914083587
                3p
                   -1 :               0.00012774396011
                   +0 :              -0.00001582999301
                   +1 :              -0.00006787788674
                4p
                   -1 :              -0.00003286554769
                   +0 :               0.00000616996693
                   +1 :               0.00002326918240
                3d
                   -2 :               0.00000846710347
                   -1 :              -0.00002439265073
                   +0 :              -0.00000293731096
                   +1 :               0.00000266625702
                   +2 :               0.00000811610353
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al( 10)  npairs=  13
              1 vec=     2.802674      1.376461     -6.601898   |vec|=    7.303060
                2s
                   +0 :              -0.00260669637659
                2p
                   -1 :              -0.00047076796857
                   +0 :               0.00157219939959
                   +1 :              -0.00033090687920
                3s
                   +0 :               0.00869464859119
                4s
                   +0 :              -0.00383773092538
                3p
                   -1 :               0.00529575552937
                   +0 :              -0.00334163182473
                   +1 :               0.00017893229921
                4p
                   -1 :              -0.00107489827256
                   +0 :               0.00168921902044
                   +1 :              -0.00040378593835
                3d
                   -2 :              -0.00028936982266
                   -1 :              -0.00027802055942
                   +0 :              -0.00083240393517
                   +1 :               0.00124066193308
                   +2 :              -0.00016132019103
              2 vec=    -4.977489     -3.115418     -6.601898   |vec|=    8.835512
                2s
                   +0 :               0.00126034710804
                2p
                   -1 :               0.00044570762954
                   +0 :              -0.00030130883703
                   +1 :              -0.00002314878533
                3s
                   +0 :              -0.01198752401755
                4s
                   +0 :               0.00069716929534
                3p
                   -1 :              -0.00004869381735
                   +0 :               0.00719306369889
                   +1 :               0.00433383895483
                4p
                   -1 :               0.00130705493540
                   +0 :              -0.00021144538377
                   +1 :               0.00041591391825
                3d
                   -2 :              -0.00069856282769
                   -1 :              -0.00080324315430
                   +0 :              -0.00070410828488
                   +1 :              -0.00216726004230
                   +2 :              -0.00178251711411
              3 vec=    -4.977489      5.868340     -6.601898   |vec|=   10.138928
                2s
                   +0 :               0.00127532588419
                2p
                   -1 :               0.00059139395725
                   +0 :              -0.00025759988930
                   +1 :              -0.00076551801727
                3s
                   +0 :              -0.00651941064227
                4s
                   +0 :               0.00297148005189
                3p
                   -1 :              -0.00371302735654
                   +0 :               0.00265609258132
                   +1 :               0.00486387331799
                4p
                   -1 :               0.00139748417683
                   +0 :              -0.00094932738666
                   +1 :              -0.00150377070008
                3d
                   -2 :               0.00103546604239
                   -1 :               0.00042366525431
                   +0 :               0.00026070039075
                   +1 :              -0.00082199203528
                   +2 :               0.00001508237424
              4 vec=     2.802674     -7.607297     -6.601898   |vec|=   10.455190
                2s
                   +0 :              -0.00038238833819
                2p
                   -1 :              -0.00007039720810
                   +0 :               0.00022926384886
                   +1 :               0.00002256212282
                3s
                   +0 :               0.00139828573462
                4s
                   +0 :              -0.00029110542827
                3p
                   -1 :               0.00049129449852
                   +0 :              -0.00060771423478
                   +1 :              -0.00038690639510
                4p
                   -1 :              -0.00029194426795
                   +0 :               0.00014522653505
                   +1 :               0.00004299498514
                3d
                   -2 :              -0.00000234251662
                   -1 :              -0.00005677303097
                   +0 :               0.00051129476247
                   +1 :               0.00046381092117
                   +2 :               0.00018764270911
              5 vec=     2.802674     10.360219     -6.601898   |vec|=   12.600563
                2s
                   +0 :              -0.00027963493509
                2p
                   -1 :               0.00002643056067
                   +0 :               0.00021772641411
                   +1 :               0.00010126405351
                3s
                   +0 :               0.00180912263152
                4s
                   +0 :              -0.00070793023101
                3p
                   -1 :               0.00038654728304
                   +0 :              -0.00158806221673
                   +1 :              -0.00065062072346
                4p
                   -1 :              -0.00006727633175
                   +0 :               0.00039295945604
                   +1 :               0.00023276244863
                3d
                   -2 :              -0.00002064632685
                   -1 :              -0.00029801973782
                   +0 :               0.00017586179308
                   +1 :               0.00006302816805
                   +2 :              -0.00005979019558
              6 vec=    10.582837     -3.115418     -6.601898   |vec|=   12.856411
                2s
                   +0 :              -0.00026463388183
                2p
                   -1 :              -0.00006177804679
                   +0 :              -0.00001137978466
                   +1 :               0.00002971827480
                3s
                   +0 :               0.00186336499741
                4s
                   +0 :              -0.00025565820676
                3p
                   -1 :               0.00005078179370
                   +0 :              -0.00072951159081
                   +1 :               0.00035593387238
                4p
                   -1 :              -0.00020670718372
                   +0 :               0.00009629072266
                   +1 :               0.00004367932845
                3d
                   -2 :              -0.00011054843627
                   -1 :               0.00009639795932
                   +0 :               0.00001851592592
                   +1 :              -0.00016161369643
                   +2 :               0.00020129893692
              7 vec=    10.582837      5.868340     -6.601898   |vec|=   13.784734
                2s
                   +0 :              -0.00009611477210
                2p
                   -1 :               0.00005158521367
                   +0 :              -0.00005728489756
                   +1 :              -0.00020331615348
                3s
                   +0 :               0.00093094380485
                4s
                   +0 :              -0.00054879941450
                3p
                   -1 :               0.00019504393939
                   +0 :               0.00009019409061
                   +1 :               0.00140745506024
                4p
                   -1 :              -0.00020729709469
                   +0 :               0.00008724512451
                   +1 :              -0.00051335342899
                3d
                   -2 :               0.00018430383948
                   -1 :              -0.00008786215122
                   +0 :              -0.00005918665071
                   +1 :               0.00005512309158
                   +2 :               0.00002310501606
              8 vec=   -12.757651      1.376461     -6.601898   |vec|=   14.430432
                2s
                   +0 :               0.00024158956509
                2p
                   -1 :              -0.00007040419550
                   +0 :              -0.00017394145155
                   +1 :              -0.00004646412674
                3s
                   +0 :              -0.00114168421398
                4s
                   +0 :               0.00030810233990
                3p
                   -1 :               0.00031286283292
                   +0 :               0.00091166739362
                   +1 :               0.00035193919380
                4p
                   -1 :              -0.00012987055704
                   +0 :              -0.00016515671996
                   +1 :              -0.00005639900317
                3d
                   -2 :              -0.00001087398163
                   -1 :              -0.00007414525213
                   +0 :              -0.00007091622851
                   +1 :              -0.00013080775361
                   +2 :               0.00002834833541
              9 vec=    -4.977489    -12.099176     -6.601898   |vec|=   14.654368
                2s
                   +0 :              -0.00002579522139
                2p
                   -1 :               0.00000151394450
                   +0 :               0.00002107497422
                   +1 :               0.00004417903762
                3s
                   +0 :               0.00003607319091
                4s
                   +0 :               0.00001970343453
                3p
                   -1 :               0.00001762564929
                   +0 :              -0.00008511454009
                   +1 :              -0.00024727467984
                4p
                   -1 :              -0.00001000087842
                   +0 :               0.00000986015522
                   +1 :               0.00003180632896
                3d
                   -2 :               0.00000688201286
                   -1 :              -0.00001670988381
                   +0 :               0.00002701507032
                   +1 :               0.00007967903868
                   +2 :              -0.00000454467498
             10 vec=   -12.757651     -7.607297     -6.601898   |vec|=   16.254651
                2s
                   +0 :               0.00012625947807
                2p
                   -1 :              -0.00002678351977
                   +0 :              -0.00006702155284
                   +1 :              -0.00003692680271
                3s
                   +0 :              -0.00046029828397
                4s
                   +0 :               0.00006044624074
                3p
                   -1 :               0.00011111465137
                   +0 :               0.00030514362484
                   +1 :               0.00013170429812
                4p
                   -1 :              -0.00001878565637
                   +0 :              -0.00005543309720
                   +1 :               0.00002331351855
                3d
                   -2 :               0.00000131676168
                   -1 :              -0.00002128237718
                   +0 :              -0.00001991105509
                   +1 :              -0.00006770235335
                   +2 :              -0.00000957992844
             11 vec=    -4.977489     14.852098     -6.601898   |vec|=   16.998390
                2s
                   +0 :               0.00001869770606
                2p
                   -1 :              -0.00000795615912
                   +0 :               0.00000095074319
                   +1 :              -0.00001446909832
                3s
                   +0 :              -0.00016890822469
                4s
                   +0 :               0.00001739138025
                3p
                   -1 :              -0.00000957112456
                   +0 :               0.00007140590822
                   +1 :               0.00005616502206
                4p
                   -1 :              -0.00001946384335
                   +0 :              -0.00001343740557
                   +1 :              -0.00001793514396
                3d
                   -2 :               0.00006022540185
                   -1 :               0.00002134441449
                   +0 :              -0.00002955238200
                   +1 :              -0.00001837838775
                   +2 :               0.00002583407210
             12 vec=    10.582837    -12.099176     -6.601898   |vec|=   17.377328
                2s
                   +0 :              -0.00005304573111
                2p
                   -1 :              -0.00001823205219
                   +0 :               0.00002778848627
                   +1 :              -0.00001559054168
                3s
                   +0 :               0.00029872134490
                4s
                   +0 :              -0.00007197689567
                3p
                   -1 :               0.00006032071220
                   +0 :              -0.00019798753104
                   +1 :               0.00010005771888
                4p
                   -1 :              -0.00003293886532
                   +0 :               0.00003687509078
                   +1 :              -0.00002201618186
                3d
                   -2 :              -0.00000243537205
                   -1 :               0.00002007373113
                   +0 :               0.00001750512143
                   +1 :              -0.00003626009843
                   +2 :               0.00003201407973
             13 vec=   -12.757651     10.360219     -6.601898   |vec|=   17.710925
                2s
                   +0 :               0.00004069245628
                2p
                   -1 :              -0.00001600868719
                   +0 :               0.00000927408587
                   +1 :              -0.00002090234542
                3s
                   +0 :              -0.00024458084045
                4s
                   +0 :               0.00009564785458
                3p
                   -1 :               0.00007667254640
                   +0 :              -0.00001261537147
                   +1 :               0.00018318252666
                4p
                   -1 :              -0.00003249778446
                   +0 :              -0.00000521201826
                   +1 :              -0.00007454906237
                3d
                   -2 :               0.00000892850701
                   -1 :              -0.00002397261474
                   +0 :              -0.00001406547674
                   +1 :               0.00002092283446
                   +2 :              -0.00001111676316
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al( 11)  npairs=  14
              1 vec=     2.802674      1.376461      5.671873   |vec|=    6.474548
                2s
                   +0 :              -0.00192306318734
                2p
                   -1 :              -0.00040628188113
                   +0 :              -0.00143703167359
                   +1 :              -0.00054732126273
                3s
                   +0 :               0.00498313856088
                4s
                   +0 :              -0.00281996216006
                3p
                   -1 :               0.00194790829530
                   +0 :               0.00947699831091
                   +1 :               0.00144540932946
                4p
                   -1 :              -0.00037419730525
                   +0 :              -0.00403140474187
                   +1 :              -0.00001789486698
                3d
                   -2 :               0.00056506085523
                   -1 :              -0.00004576792684
                   +0 :               0.00292372988630
                   +1 :               0.00154623970343
                   +2 :               0.00144074479635
              2 vec=    -4.977489     -3.115418      5.671873   |vec|=    8.164029
                2s
                   +0 :              -0.00004280828273
                2p
                   -1 :               0.00027813311537
                   +0 :               0.00077871109289
                   +1 :              -0.00007251586950
                3s
                   +0 :              -0.00412799486340
                4s
                   +0 :              -0.00060128488308
                3p
                   -1 :              -0.00130075402529
                   +0 :              -0.00249963114798
                   +1 :               0.00325468774992
                4p
                   -1 :               0.00093085407202
                   +0 :               0.00091276745502
                   +1 :               0.00005949592576
                3d
                   -2 :              -0.00053982559170
                   -1 :              -0.00050677698415
                   +0 :               0.00135191158399
                   +1 :               0.00029200042467
                   +2 :              -0.00169719176073
              3 vec=    -4.977489      5.868340      5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00005178383317
                2p
                   -1 :               0.00044811567183
                   +0 :              -0.00003011892670
                   +1 :              -0.00076077908589
                3s
                   +0 :              -0.00136830501693
                4s
                   +0 :               0.00077655474266
                3p
                   -1 :              -0.00201127590210
                   +0 :              -0.00013810067391
                   +1 :               0.00525353613221
                4p
                   -1 :               0.00055659093142
                   +0 :               0.00003570892895
                   +1 :              -0.00163412637057
                3d
                   -2 :               0.00075016713562
                   -1 :              -0.00022672991925
                   +0 :              -0.00009236918667
                   +1 :               0.00083674287586
                   +2 :               0.00017176462806
              4 vec=     2.802674     -7.607297      5.671873   |vec|=    9.894245
                2s
                   +0 :               0.00113495736883
                2p
                   -1 :              -0.00049351754742
                   +0 :               0.00033408421178
                   +1 :               0.00044316560784
                3s
                   +0 :              -0.00337052773469
                4s
                   +0 :               0.00112149251206
                3p
                   -1 :               0.00233326955409
                   +0 :              -0.00105275204413
                   +1 :              -0.00220288135694
                4p
                   -1 :              -0.00079787829206
                   +0 :               0.00011019786242
                   +1 :               0.00058423341758
                3d
                   -2 :               0.00049980129320
                   -1 :               0.00030065777683
                   +0 :               0.00020586366926
                   +1 :              -0.00046200758698
                   +2 :              -0.00028407284735
              5 vec=     2.802674     10.360219      5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00010889829497
                2p
                   -1 :               0.00004446020116
                   +0 :              -0.00005366532795
                   +1 :              -0.00012581004088
                3s
                   +0 :              -0.00010923916691
                4s
                   +0 :              -0.00008552538844
                3p
                   -1 :               0.00007494107587
                   +0 :              -0.00005879095971
                   +1 :               0.00087608623644
                4p
                   -1 :              -0.00012596560303
                   +0 :               0.00004285185619
                   +1 :              -0.00030653873472
                3d
                   -2 :               0.00019508953134
                   -1 :              -0.00009738686661
                   +0 :              -0.00003045553721
                   +1 :               0.00012823788715
                   +2 :               0.00000297927230
              6 vec=    10.582837     -3.115418      5.671873   |vec|=   12.404532
                2s
                   +0 :               0.00012082895424
                2p
                   -1 :               0.00008949641901
                   +0 :               0.00002480236042
                   +1 :               0.00014672172682
                3s
                   +0 :               0.00018595172004
                4s
                   +0 :               0.00020085250603
                3p
                   -1 :              -0.00094116105413
                   +0 :              -0.00002644284840
                   +1 :              -0.00021925936992
                4p
                   -1 :               0.00014752824684
                   +0 :               0.00001652135431
                   +1 :               0.00020004568347
                3d
                   -2 :              -0.00020940409715
                   -1 :              -0.00009133871663
                   +0 :              -0.00009388439023
                   +1 :              -0.00012041467280
                   +2 :              -0.00003979646006
              7 vec=    10.582837      5.868340      5.671873   |vec|=   13.364281
                2s
                   +0 :               0.00019019305578
                2p
                   -1 :              -0.00001450276037
                   +0 :               0.00001366591868
                   +1 :               0.00002805808628
                3s
                   +0 :              -0.00062871987967
                4s
                   +0 :               0.00019074181141
                3p
                   -1 :               0.00004033893332
                   +0 :              -0.00006908098836
                   +1 :              -0.00028929907100
                4p
                   -1 :               0.00002500880554
                   +0 :              -0.00005086242144
                   +1 :               0.00010144363266
                3d
                   -2 :               0.00009933278102
                   -1 :              -0.00006828853047
                   +0 :               0.00009174066015
                   +1 :               0.00003651311789
                   +2 :               0.00000583849895
              8 vec=   -12.757651      1.376461      5.671873   |vec|=   14.029343
                2s
                   +0 :              -0.00024842165692
                2p
                   -1 :               0.00001595187896
                   +0 :              -0.00006519302567
                   +1 :               0.00014512650932
                3s
                   +0 :               0.00033650319451
                4s
                   +0 :              -0.00001494454466
                3p
                   -1 :               0.00012302993146
                   +0 :               0.00023791039966
                   +1 :              -0.00029667665792
                4p
                   -1 :              -0.00002883281585
                   +0 :              -0.00005718182477
                   +1 :               0.00000487330653
                3d
                   -2 :              -0.00003535084188
                   -1 :               0.00002367922952
                   +0 :              -0.00002429301164
                   +1 :              -0.00018155191261
                   +2 :               0.00004966652368
              9 vec=    -4.977489    -12.099176      5.671873   |vec|=   14.259579
                2s
                   +0 :               0.00007023230294
                2p
                   -1 :               0.00001473430359
                   +0 :              -0.00001872233373
                   +1 :               0.00004656102001
                3s
                   +0 :              -0.00035679855908
                4s
                   +0 :               0.00017744696347
                3p
                   -1 :               0.00004471399281
                   +0 :               0.00008795551976
                   +1 :              -0.00031333418701
                4p
                   -1 :              -0.00007249069446
                   +0 :               0.00002607763662
                   +1 :               0.00006999087811
                3d
                   -2 :               0.00015507837441
                   -1 :              -0.00011077075160
                   +0 :               0.00000219542604
                   +1 :              -0.00000890763517
                   +2 :              -0.00003173867826
             10 vec=   -12.757651     -7.607297      5.671873   |vec|=   15.899647
                2s
                   +0 :              -0.00011499663063
                2p
                   -1 :               0.00002803775948
                   +0 :               0.00002335018796
                   +1 :               0.00009292457911
                3s
                   +0 :               0.00033007580807
                4s
                   +0 :              -0.00013488793324
                3p
                   -1 :              -0.00011720915728
                   +0 :              -0.00021699392141
                   +1 :              -0.00044004222095
                4p
                   -1 :               0.00002162650543
                   +0 :               0.00008981153819
                   +1 :               0.00011523161066
                3d
                   -2 :               0.00005023845135
                   -1 :               0.00001566758667
                   +0 :              -0.00005244876810
                   +1 :              -0.00002959648437
                   +2 :               0.00006891139762
             11 vec=    -4.977489     14.852098      5.671873   |vec|=   16.659243
                2s
                   +0 :              -0.00002938718846
                2p
                   -1 :              -0.00006061644198
                   +0 :              -0.00005546941973
                   +1 :               0.00000235443458
                3s
                   +0 :               0.00004956105723
                4s
                   +0 :               0.00000605684335
                3p
                   -1 :               0.00025947316002
                   +0 :               0.00027059803376
                   +1 :               0.00000873253184
                4p
                   -1 :              -0.00004912635094
                   +0 :              -0.00004318258350
                   +1 :              -0.00001250430934
                3d
                   -2 :              -0.00001804865931
                   -1 :               0.00010377497749
                   +0 :               0.00000086244463
                   +1 :              -0.00002565401424
                   +2 :              -0.00008033494982
             12 vec=    10.582837    -12.099176      5.671873   |vec|=   17.045722
                2s
                   +0 :               0.00004764036556
                2p
                   -1 :               0.00001067392582
                   +0 :               0.00001177951282
                   +1 :               0.00005175967805
                3s
                   +0 :              -0.00005871513347
                4s
                   +0 :               0.00005754943609
                3p
                   -1 :              -0.00007048158838
                   +0 :              -0.00001403274989
                   +1 :              -0.00022879071707
                4p
                   -1 :               0.00001708444103
                   +0 :               0.00000418017104
                   +1 :               0.00007389379555
                3d
                   -2 :               0.00001201015989
                   -1 :              -0.00000274481657
                   +0 :               0.00001480670208
                   +1 :              -0.00002738231566
                   +2 :              -0.00001226771651
             13 vec=   -12.757651     10.360219      5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00000475988936
                2p
                   -1 :               0.00001196434770
                   +0 :              -0.00000024721931
                   +1 :              -0.00001847617450
                3s
                   +0 :              -0.00010449340156
                4s
                   +0 :               0.00006643123672
                3p
                   -1 :              -0.00008796462141
                   +0 :              -0.00004298891066
                   +1 :               0.00011610968854
                4p
                   -1 :               0.00002644568940
                   +0 :               0.00002537992613
                   +1 :              -0.00005413754491
                3d
                   -2 :               0.00000626755886
                   -1 :              -0.00001371806567
                   +0 :              -0.00003100866487
                   +1 :               0.00000472744582
                   +2 :              -0.00000815509897
             14 vec=     2.802674    -16.591055      5.671873   |vec|=   17.756357
                2s
                   +0 :              -0.00001368408643
                2p
                   -1 :              -0.00000085961227
                   +0 :               0.00000106045110
                   +1 :              -0.00000929314149
                3s
                   +0 :               0.00001053393920
                4s
                   +0 :               0.00001104938790
                3p
                   -1 :               0.00004112922266
                   +0 :              -0.00001430814254
                   +1 :               0.00001662736981
                4p
                   -1 :              -0.00002198198840
                   +0 :               0.00000901260313
                   +1 :              -0.00000381012302
                3d
                   -2 :               0.00003615915025
                   -1 :              -0.00000208355999
                   +0 :               0.00000559603869
                   +1 :              -0.00000732486921
                   +2 :               0.00000457377323
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site Al( 12)  npairs=  14
              1 vec=     2.802674      1.376461     -1.580453   |vec|=    3.499637
                2s
                   +0 :               0.03995652356015
                2p
                   -1 :               0.02099861235986
                   +0 :              -0.02541679515860
                   +1 :               0.03187286510894
                3s
                   +0 :               0.09916684595549
                4s
                   +0 :               0.01263171943216
                3p
                   -1 :               0.03451020677834
                   +0 :              -0.04662715648461
                   +1 :               0.05513369916316
                4p
                   -1 :               0.01319309276574
                   +0 :              -0.01179095340652
                   +1 :               0.01595000928028
                3d
                   -2 :               0.03666851114545
                   -1 :              -0.03135486805966
                   +0 :               0.00306311516910
                   +1 :              -0.04435041646799
                   +2 :               0.01021521225302
              2 vec=    -4.977489     -3.115418     -1.580453   |vec|=    6.081040
                2s
                   +0 :               0.00423628599273
                2p
                   -1 :              -0.00193624932879
                   +0 :              -0.00087604436913
                   +1 :              -0.00317518568959
                3s
                   +0 :              -0.00786986706795
                4s
                   +0 :               0.00615556165018
                3p
                   -1 :               0.00431011099975
                   +0 :               0.00339286250303
                   +1 :               0.01089346460988
                4p
                   -1 :              -0.00226583541067
                   +0 :              -0.00128487930624
                   +1 :              -0.00396396797609
                3d
                   -2 :              -0.00095817149897
                   -1 :              -0.00069152862525
                   +0 :               0.00252117566409
                   +1 :              -0.00176494286562
                   +2 :              -0.00380215945878
              3 vec=    -4.977489      5.868340     -1.580453   |vec|=    7.855612
                2s
                   +0 :               0.00021528129279
                2p
                   -1 :               0.00056895827067
                   +0 :               0.00047333190085
                   +1 :              -0.00005809214755
                3s
                   +0 :              -0.00628543426370
                4s
                   +0 :               0.00009399565188
                3p
                   -1 :               0.00096651548480
                   +0 :               0.00222473688746
                   +1 :               0.00365138940285
                4p
                   -1 :               0.00017271201237
                   +0 :               0.00025186746507
                   +1 :              -0.00009599304765
                3d
                   -2 :              -0.00049859570763
                   -1 :              -0.00045864165013
                   +0 :              -0.00068902748754
                   +1 :              -0.00101295404503
                   +2 :              -0.00210264673754
              4 vec=     2.802674     -7.607297     -1.580453   |vec|=    8.259768
                2s
                   +0 :               0.00001589979029
                2p
                   -1 :              -0.00035055055613
                   +0 :              -0.00023285115902
                   +1 :               0.00019509940138
                3s
                   +0 :               0.00463564990699
                4s
                   +0 :              -0.00006126870308
                3p
                   -1 :              -0.00128621524208
                   +0 :              -0.00223862674107
                   +1 :              -0.00322185512002
                4p
                   -1 :              -0.00054308265857
                   +0 :              -0.00005787872016
                   +1 :               0.00023459547867
                3d
                   -2 :               0.00110437626240
                   -1 :               0.00167827128354
                   +0 :               0.00038399316552
                   +1 :               0.00088216027582
                   +2 :              -0.00018137909006
              5 vec=     2.802674     10.360219     -1.580453   |vec|=   10.848362
                2s
                   +0 :              -0.00032069104890
                2p
                   -1 :              -0.00032654916676
                   +0 :              -0.00023980992095
                   +1 :              -0.00018620456315
                3s
                   +0 :               0.00001466736721
                4s
                   +0 :              -0.00011086725430
                3p
                   -1 :               0.00110814314526
                   +0 :               0.00104285515258
                   +1 :              -0.00013423894855
                4p
                   -1 :              -0.00015360989679
                   +0 :              -0.00005430273143
                   +1 :              -0.00018940020994
                3d
                   -2 :               0.00063365389898
                   -1 :              -0.00005082882698
                   +0 :              -0.00011295211218
                   +1 :               0.00029566966143
                   +2 :              -0.00046987658240
              6 vec=    10.582837     -3.115418     -1.580453   |vec|=   11.144509
                2s
                   +0 :              -0.00020703260278
                2p
                   -1 :               0.00029518779127
                   +0 :               0.00011077902450
                   +1 :              -0.00007202507282
                3s
                   +0 :               0.00204666058014
                4s
                   +0 :              -0.00103376071757
                3p
                   -1 :              -0.00194781321727
                   +0 :              -0.00103264481371
                   +1 :               0.00153227060080
                4p
                   -1 :               0.00058535200085
                   +0 :               0.00020358623093
                   +1 :              -0.00046612409326
                3d
                   -2 :              -0.00087469266390
                   -1 :               0.00030694550420
                   +0 :              -0.00023388604541
                   +1 :              -0.00046497505502
                   +2 :              -0.00030788913510
              7 vec=    10.582837      5.868340     -1.580453   |vec|=   12.203757
                2s
                   +0 :              -0.00021614567922
                2p
                   -1 :               0.00000533765897
                   +0 :               0.00011399799251
                   +1 :              -0.00017774423075
                3s
                   +0 :               0.00086987760138
                4s
                   +0 :              -0.00004194548742
                3p
                   -1 :              -0.00003400927754
                   +0 :              -0.00075657995752
                   +1 :               0.00114096918372
                4p
                   -1 :               0.00011138644457
                   +0 :               0.00005384338372
                   +1 :              -0.00028175192981
                3d
                   -2 :               0.00005941491589
                   -1 :              -0.00012024542971
                   +0 :              -0.00013386656309
                   +1 :              -0.00007005264453
                   +2 :               0.00025316878536
              8 vec=   -12.757651      1.376461     -1.580453   |vec|=   12.928656
                2s
                   +0 :               0.00020490089315
                2p
                   -1 :              -0.00015772700529
                   +0 :               0.00019202821862
                   +1 :               0.00016137079789
                3s
                   +0 :              -0.00262064507228
                4s
                   +0 :               0.00031997761738
                3p
                   -1 :              -0.00089617278207
                   +0 :               0.00076488093511
                   +1 :              -0.00005797844464
                4p
                   -1 :              -0.00014133373135
                   +0 :               0.00003896682090
                   +1 :               0.00013225730577
                3d
                   -2 :               0.00025415382542
                   -1 :               0.00065458402164
                   +0 :              -0.00025818493356
                   +1 :              -0.00025402676642
                   +2 :               0.00055495876518
              9 vec=    -4.977489    -12.099176     -1.580453   |vec|=   13.178136
                2s
                   +0 :              -0.00018981656249
                2p
                   -1 :               0.00005706125018
                   +0 :               0.00002155921237
                   +1 :              -0.00002606981724
                3s
                   +0 :              -0.00029577689914
                4s
                   +0 :              -0.00006797453671
                3p
                   -1 :               0.00039610687911
                   +0 :               0.00050476960249
                   +1 :              -0.00004251882537
                4p
                   -1 :              -0.00001646150720
                   +0 :              -0.00001853988502
                   +1 :              -0.00002432370839
                3d
                   -2 :               0.00002095514820
                   -1 :              -0.00018933174407
                   +0 :              -0.00002866587183
                   +1 :               0.00001497773959
                   +2 :               0.00015939674901
             10 vec=   -12.757651     -7.607297     -1.580453   |vec|=   14.937418
                2s
                   +0 :               0.00019867871670
                2p
                   -1 :              -0.00000833115207
                   +0 :               0.00002344547740
                   +1 :              -0.00005886034522
                3s
                   +0 :              -0.00109668543695
                4s
                   +0 :               0.00031849025910
                3p
                   -1 :               0.00028493940398
                   +0 :               0.00008228683138
                   +1 :               0.00038611929877
                4p
                   -1 :              -0.00006963120502
                   +0 :               0.00003600431366
                   +1 :              -0.00011937078358
                3d
                   -2 :              -0.00001770026926
                   -1 :              -0.00003597483506
                   +0 :              -0.00003946711743
                   +1 :               0.00001095129687
                   +2 :               0.00001005023485
             11 vec=    -4.977489     14.852098     -1.580453   |vec|=   15.743508
                2s
                   +0 :               0.00008946846121
                2p
                   -1 :               0.00005396710802
                   +0 :              -0.00003692381893
                   +1 :              -0.00005631744114
                3s
                   +0 :              -0.00027181265000
                4s
                   +0 :               0.00011796383230
                3p
                   -1 :              -0.00026328338674
                   +0 :               0.00022546185079
                   +1 :               0.00017182100765
                4p
                   -1 :               0.00005927099779
                   +0 :              -0.00005965470566
                   +1 :              -0.00002070611335
                3d
                   -2 :               0.00000591652158
                   -1 :               0.00009757411604
                   +0 :               0.00005369984930
                   +1 :              -0.00001012970550
                   +2 :               0.00006648966895
             12 vec=    10.582837    -12.099176     -1.580453   |vec|=   16.151913
                2s
                   +0 :              -0.00006505560979
                2p
                   -1 :               0.00001969775316
                   +0 :              -0.00000914089043
                   +1 :               0.00001893606278
                3s
                   +0 :               0.00032366862412
                4s
                   +0 :              -0.00004038148640
                3p
                   -1 :              -0.00013481303711
                   +0 :              -0.00003077822020
                   +1 :              -0.00021132236878
                4p
                   -1 :               0.00001496895615
                   +0 :              -0.00000304963817
                   +1 :               0.00006963919780
                3d
                   -2 :               0.00003407501922
                   -1 :               0.00004284305258
                   +0 :               0.00000729696215
                   +1 :               0.00004288358716
                   +2 :              -0.00006924897537
             13 vec=   -12.757651     10.360219     -1.580453   |vec|=   16.510289
                2s
                   +0 :               0.00007752032106
                2p
                   -1 :              -0.00001391492485
                   +0 :              -0.00001340868987
                   +1 :              -0.00003033406475
                3s
                   +0 :              -0.00046254614761
                4s
                   +0 :               0.00007019635408
                3p
                   -1 :               0.00002253005438
                   +0 :               0.00019290100860
                   +1 :               0.00022682719632
                4p
                   -1 :               0.00000048123300
                   +0 :              -0.00000555758937
                   +1 :              -0.00001848561476
                3d
                   -2 :               0.00000425545486
                   -1 :               0.00000297174485
                   +0 :              -0.00002094846909
                   +1 :              -0.00011328228162
                   +2 :              -0.00002586207386
             14 vec=     2.802674    -16.591055     -1.580453   |vec|=   16.900175
                2s
                   +0 :               0.00001056855284
                2p
                   -1 :               0.00000561560123
                   +0 :              -0.00000783240367
                   +1 :              -0.00002697290904
                3s
                   +0 :               0.00001668545585
                4s
                   +0 :              -0.00001852771428
                3p
                   -1 :              -0.00007036494826
                   +0 :               0.00003492006175
                   +1 :               0.00018142167326
                4p
                   -1 :               0.00003012220704
                   +0 :              -0.00001338324864
                   +1 :              -0.00002585443200
                3d
                   -2 :              -0.00004539671627
                   -1 :              -0.00001190114731
                   +0 :              -0.00000264452605
                   +1 :              -0.00004192892153
                   +2 :              -0.00001678067607
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 13)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00031740435718
                2s
                   +0 :               0.00239488854614
                3s
                   +0 :              -0.00046940655635
                2p
                   -1 :              -0.00240492889177
                   +0 :              -0.00278796576221
                   +1 :               0.00059897275202
                3p
                   -1 :               0.00031647166181
                   +0 :               0.00007927772218
                   +1 :              -0.00100558434636
                3d
                   -2 :               0.00010770806752
                   -1 :               0.00020884736529
                   +0 :               0.00004703540547
                   +1 :               0.00012860068340
                   +2 :              -0.00014109078234
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00012746057183
                2s
                   +0 :              -0.00114832995659
                3s
                   +0 :               0.00027923213669
                2p
                   -1 :               0.00004726688542
                   +0 :               0.00012771131866
                   +1 :               0.00084072441611
                3p
                   -1 :              -0.00028608783214
                   +0 :               0.00039766444276
                   +1 :              -0.00058367376465
                3d
                   -2 :              -0.00003950284169
                   -1 :               0.00013548889087
                   +0 :              -0.00006974947202
                   +1 :              -0.00000887416817
                   +2 :              -0.00004331078000
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00010314141207
                2s
                   +0 :              -0.00134245085475
                3s
                   +0 :               0.00012571136199
                2p
                   -1 :              -0.00125351474206
                   +0 :               0.00181647132370
                   +1 :               0.00035066204025
                3p
                   -1 :              -0.00031107031903
                   +0 :              -0.00020570408221
                   +1 :               0.00043508710598
                3d
                   -2 :               0.00004875895584
                   -1 :               0.00007511361369
                   +0 :               0.00004111326993
                   +1 :              -0.00012394931099
                   +2 :               0.00008765139275
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00001966079076
                2s
                   +0 :               0.00043824835346
                3s
                   +0 :               0.00006488779573
                2p
                   -1 :               0.00035237804376
                   +0 :              -0.00045520723935
                   +1 :               0.00048151525771
                3p
                   -1 :              -0.00017501777331
                   +0 :               0.00032396173732
                   +1 :              -0.00026331168960
                3d
                   -2 :              -0.00002189922248
                   -1 :               0.00000438510504
                   +0 :              -0.00006974638399
                   +1 :               0.00001588237766
                   +2 :              -0.00000876064988
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000167468720
                2s
                   +0 :              -0.00015659925036
                3s
                   +0 :              -0.00003952184249
                2p
                   -1 :              -0.00004208441881
                   +0 :              -0.00024349896000
                   +1 :              -0.00014820317603
                3p
                   -1 :               0.00005390156219
                   +0 :               0.00011792025731
                   +1 :               0.00009110523479
                3d
                   -2 :               0.00000431760116
                   -1 :              -0.00001605710848
                   +0 :              -0.00002217059509
                   +1 :               0.00001181079401
                   +2 :               0.00002278438726
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00003663523785
                2s
                   +0 :               0.00002341648806
                3s
                   +0 :              -0.00001972968270
                2p
                   -1 :               0.00028329994425
                   +0 :               0.00017162328282
                   +1 :               0.00058675633023
                3p
                   -1 :              -0.00022487544695
                   +0 :               0.00011029260153
                   +1 :              -0.00050380839863
                3d
                   -2 :              -0.00005166796570
                   -1 :              -0.00001885278636
                   +0 :              -0.00002192810166
                   +1 :               0.00000004598372
                   +2 :              -0.00003323132423
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000018033986
                2s
                   +0 :               0.00004630057676
                3s
                   +0 :               0.00001990372410
                2p
                   -1 :              -0.00005580962118
                   +0 :               0.00000805909267
                   +1 :               0.00009514965463
                3p
                   -1 :               0.00003336355895
                   +0 :               0.00000149545253
                   +1 :              -0.00002989617973
                3d
                   -2 :              -0.00000507702595
                   -1 :               0.00000040194423
                   +0 :              -0.00000305129670
                   +1 :              -0.00000039566266
                   +2 :               0.00000174671305
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000050490159
                2s
                   +0 :              -0.00000130973661
                3s
                   +0 :              -0.00000161485984
                2p
                   -1 :              -0.00004202696370
                   +0 :              -0.00000945628557
                   +1 :              -0.00005170279406
                3p
                   -1 :               0.00003797454995
                   +0 :              -0.00001115322078
                   +1 :               0.00001918746814
                3d
                   -2 :               0.00000226364376
                   -1 :               0.00000187330672
                   +0 :               0.00000437545424
                   +1 :              -0.00000498062740
                   +2 :              -0.00000166814175
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00003476676771
                2s
                   +0 :               0.00025516553859
                3s
                   +0 :              -0.00011314678555
                2p
                   -1 :               0.00010817703467
                   +0 :              -0.00010437137211
                   +1 :               0.00018571433603
                3p
                   -1 :              -0.00003135010256
                   +0 :               0.00005871928334
                   +1 :              -0.00014399294988
                3d
                   -2 :              -0.00001258545324
                   -1 :              -0.00000290477076
                   +0 :               0.00000511060813
                   +1 :               0.00000894434838
                   +2 :               0.00002000033218
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000677816740
                2s
                   +0 :               0.00003656198832
                3s
                   +0 :              -0.00003871255182
                2p
                   -1 :               0.00000630641921
                   +0 :              -0.00014052374209
                   +1 :              -0.00016530694619
                3p
                   -1 :               0.00001028260915
                   +0 :               0.00006311855474
                   +1 :               0.00007361602668
                3d
                   -2 :               0.00001002975874
                   -1 :               0.00001059552170
                   +0 :              -0.00000634371306
                   +1 :              -0.00000408724384
                   +2 :               0.00000055542312
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000126280455
                2s
                   +0 :              -0.00005627926805
                3s
                   +0 :              -0.00001927532280
                2p
                   -1 :               0.00003793166643
                   +0 :               0.00027206937258
                   +1 :               0.00003088900286
                3p
                   -1 :               0.00001658788031
                   +0 :              -0.00011739722400
                   +1 :               0.00002538597324
                3d
                   -2 :               0.00000254754707
                   -1 :              -0.00000969181192
                   +0 :              -0.00000524194740
                   +1 :               0.00000336632893
                   +2 :               0.00000320219451
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000837897109
                2s
                   +0 :               0.00005326393949
                3s
                   +0 :              -0.00004667395777
                2p
                   -1 :              -0.00014985389413
                   +0 :               0.00037546595106
                   +1 :              -0.00014787560059
                3p
                   -1 :               0.00007593533884
                   +0 :              -0.00022240039178
                   +1 :               0.00020362280035
                3d
                   -2 :              -0.00000449557997
                   -1 :              -0.00001954078647
                   +0 :               0.00002794316473
                   +1 :              -0.00000519996624
                   +2 :              -0.00002277552400
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00001248181658
                2s
                   +0 :               0.00009202986082
                3s
                   +0 :              -0.00004265738212
                2p
                   -1 :              -0.00007773461592
                   +0 :               0.00007760926434
                   +1 :              -0.00001999256301
                3p
                   -1 :               0.00005275379308
                   +0 :              -0.00004640584447
                   +1 :               0.00001622236979
                3d
                   -2 :              -0.00000130119675
                   -1 :              -0.00000061500261
                   +0 :               0.00000010503570
                   +1 :              -0.00000102791394
                   +2 :               0.00000040971907
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001892901061
                2s
                   +0 :               0.00013932084700
                3s
                   +0 :              -0.00003952520929
                2p
                   -1 :              -0.00001153447823
                   +0 :               0.00006921357597
                   +1 :              -0.00006762804911
                3p
                   -1 :               0.00002589942365
                   +0 :              -0.00001113321239
                   +1 :               0.00005058728439
                3d
                   -2 :              -0.00000026896911
                   -1 :               0.00000435999232
                   +0 :              -0.00000029428024
                   +1 :               0.00000377956516
                   +2 :              -0.00000539243203
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001095093567
                2s
                   +0 :               0.00006832252461
                3s
                   +0 :              -0.00004649438683
                2p
                   -1 :              -0.00004259874924
                   +0 :               0.00003670287415
                   +1 :               0.00000113390583
                3p
                   -1 :               0.00003495967297
                   +0 :              -0.00003342738239
                   +1 :              -0.00000604248397
                3d
                   -2 :              -0.00000158070078
                   -1 :               0.00000300606606
                   +0 :              -0.00000408027515
                   +1 :              -0.00000160080316
                   +2 :              -0.00000247879712
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 14)  npairs=  15
              1 vec=    -2.174555     -4.491729     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00041163152053
                2s
                   +0 :              -0.00343359754745
                3s
                   +0 :               0.00089972821362
                2p
                   -1 :               0.00159204782277
                   +0 :               0.00413036369731
                   +1 :              -0.00171065311988
                3p
                   -1 :               0.00029471486399
                   +0 :              -0.00110337467758
                   +1 :               0.00052362494407
                3d
                   -2 :               0.00006055924562
                   -1 :              -0.00012831479135
                   +0 :               0.00004452763845
                   +1 :               0.00001304436434
                   +2 :               0.00012653758209
              2 vec=    -2.174555      4.492029     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00004262599704
                2s
                   +0 :               0.00009990987700
                3s
                   +0 :               0.00016580549959
                2p
                   -1 :               0.00073592148117
                   +0 :              -0.00026742677014
                   +1 :              -0.00398921465822
                3p
                   -1 :               0.00016999026805
                   +0 :              -0.00095611078413
                   +1 :               0.00276538289235
                3d
                   -2 :              -0.00007840529954
                   -1 :              -0.00007937164911
                   +0 :               0.00000851827590
                   +1 :              -0.00015975867649
                   +2 :              -0.00001153061053
              3 vec=     5.605607      0.000150     -8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00021745989828
                2s
                   +0 :               0.00156078778372
                3s
                   +0 :              -0.00025786600897
                2p
                   -1 :               0.00252722969385
                   +0 :              -0.00110923103330
                   +1 :               0.00268774179275
                3p
                   -1 :              -0.00133142439384
                   +0 :              -0.00070660939972
                   +1 :              -0.00123242978094
                3d
                   -2 :               0.00010603606234
                   -1 :              -0.00008063876774
                   +0 :               0.00000124977456
                   +1 :               0.00007603146951
                   +2 :              -0.00007801256301
              4 vec=    -9.954718      0.000150     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00013842127735
                2s
                   +0 :              -0.00121744224781
                3s
                   +0 :               0.00042932663062
                2p
                   -1 :              -0.00009148716508
                   +0 :               0.00022189088841
                   +1 :               0.00059966023224
                3p
                   -1 :               0.00005401508700
                   +0 :              -0.00011002484017
                   +1 :              -0.00042656389857
                3d
                   -2 :              -0.00001754374730
                   -1 :               0.00000914500500
                   +0 :              -0.00001169947530
                   +1 :               0.00005025942339
                   +2 :               0.00003526398224
              5 vec=     5.605607     -8.983608     -8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00004545247538
                2s
                   +0 :               0.00059525312724
                3s
                   +0 :              -0.00007364092139
                2p
                   -1 :              -0.00013833279882
                   +0 :              -0.00017524538627
                   +1 :               0.00020070944201
                3p
                   -1 :              -0.00010917369524
                   +0 :               0.00013151249753
                   +1 :              -0.00013613181089
                3d
                   -2 :              -0.00001901100398
                   -1 :               0.00000185331797
                   +0 :              -0.00000806220659
                   +1 :               0.00000805817862
                   +2 :              -0.00001646175140
              6 vec=     5.605607      8.983908     -8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00003323928043
                2s
                   +0 :               0.00028775814663
                3s
                   +0 :              -0.00005246975786
                2p
                   -1 :              -0.00001081867493
                   +0 :              -0.00002682226538
                   +1 :               0.00017842247323
                3p
                   -1 :               0.00013591081983
                   +0 :              -0.00011251079891
                   +1 :              -0.00007068321666
                3d
                   -2 :               0.00000177399854
                   -1 :              -0.00003706570048
                   +0 :              -0.00003343697424
                   +1 :               0.00004888304366
                   +2 :               0.00000747374338
              7 vec=    -9.954718     -8.983608     -8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00003548768317
                2s
                   +0 :              -0.00030505214881
                3s
                   +0 :               0.00009968009268
                2p
                   -1 :               0.00016339099984
                   +0 :               0.00013530772220
                   +1 :               0.00021340155869
                3p
                   -1 :              -0.00007289352681
                   +0 :              -0.00013266422230
                   +1 :              -0.00013246314580
                3d
                   -2 :              -0.00000122657280
                   -1 :               0.00000492955936
                   +0 :               0.00000791170955
                   +1 :               0.00000998753795
                   +2 :               0.00000567670834
              8 vec=    -9.954718      8.983908     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00000344799529
                2s
                   +0 :              -0.00004831184903
                3s
                   +0 :              -0.00002927399101
                2p
                   -1 :               0.00000721074125
                   +0 :              -0.00006038246716
                   +1 :              -0.00011011850966
                3p
                   -1 :              -0.00004903967781
                   +0 :               0.00012219709871
                   +1 :               0.00014991641891
                3d
                   -2 :              -0.00000527710277
                   -1 :               0.00001272030937
                   +0 :              -0.00000820483560
                   +1 :               0.00000311896015
                   +2 :               0.00001661381330
              9 vec=    -2.174555    -13.475487     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00001007363497
                2s
                   +0 :               0.00008270647305
                3s
                   +0 :              -0.00003639435493
                2p
                   -1 :              -0.00001820163875
                   +0 :              -0.00002890902629
                   +1 :              -0.00000869268664
                3p
                   -1 :               0.00000528458745
                   +0 :               0.00003312629833
                   +1 :               0.00000673345622
                3d
                   -2 :              -0.00000359912518
                   -1 :              -0.00000037866927
                   +0 :              -0.00000128561635
                   +1 :               0.00000141329826
                   +2 :              -0.00000109721956
             10 vec=    -2.174555     13.475787     -8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00003275289074
                2s
                   +0 :              -0.00021145833303
                3s
                   +0 :               0.00009063262082
                2p
                   -1 :              -0.00016614276962
                   +0 :               0.00008005724393
                   +1 :              -0.00008018490617
                3p
                   -1 :               0.00008866499089
                   +0 :               0.00003987991625
                   +1 :               0.00004621165234
                3d
                   -2 :               0.00000820537735
                   -1 :               0.00000929188983
                   +0 :               0.00000551967106
                   +1 :              -0.00000006794285
                   +2 :              -0.00000073735884
             11 vec=    13.385770     -4.491729     -8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00002868534491
                2s
                   +0 :               0.00021913569355
                3s
                   +0 :              -0.00006364741567
                2p
                   -1 :               0.00000243201506
                   +0 :              -0.00014259216883
                   +1 :               0.00031593605063
                3p
                   -1 :              -0.00005024012150
                   +0 :               0.00003915048985
                   +1 :              -0.00017684667785
                3d
                   -2 :               0.00000225256515
                   -1 :               0.00000301115234
                   +0 :               0.00000708418735
                   +1 :               0.00001265255893
                   +2 :              -0.00001210644387
             12 vec=    13.385770      4.492029     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00002444465335
                2s
                   +0 :              -0.00010450434931
                3s
                   +0 :               0.00009886701211
                2p
                   -1 :               0.00023789873490
                   +0 :               0.00006435133287
                   +1 :               0.00000414741469
                3p
                   -1 :              -0.00014554429358
                   +0 :              -0.00013343930312
                   +1 :               0.00009413650057
                3d
                   -2 :              -0.00000125360559
                   -1 :               0.00000958789359
                   +0 :               0.00000614989376
                   +1 :              -0.00000672383423
                   +2 :              -0.00000272639352
             13 vec=    -2.174555     -4.491729     16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00001701253903
                2s
                   +0 :              -0.00013286061157
                3s
                   +0 :               0.00005818467561
                2p
                   -1 :               0.00001976625205
                   +0 :              -0.00011249136579
                   +1 :               0.00001019954566
                3p
                   -1 :              -0.00000196055584
                   +0 :               0.00006136462011
                   +1 :              -0.00001670239743
                3d
                   -2 :               0.00000385010134
                   -1 :              -0.00000220318927
                   +0 :               0.00000508384195
                   +1 :              -0.00000875396729
                   +2 :              -0.00000072621934
             14 vec=    -2.174555      4.492029     16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00000026262421
                2s
                   +0 :              -0.00001196440808
                3s
                   +0 :              -0.00000827783959
                2p
                   -1 :               0.00000903120412
                   +0 :              -0.00001279995901
                   +1 :              -0.00004381877011
                3p
                   -1 :              -0.00001829853129
                   +0 :              -0.00000885019390
                   +1 :               0.00002040371684
                3d
                   -2 :              -0.00000178395271
                   -1 :               0.00000435437716
                   +0 :               0.00000410546308
                   +1 :               0.00000347462757
                   +2 :              -0.00000090767613
             15 vec=     5.605607      0.000150     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000629390753
                2s
                   +0 :               0.00003728793606
                3s
                   +0 :              -0.00000648584550
                2p
                   -1 :               0.00003219918396
                   +0 :               0.00001656864061
                   +1 :               0.00000282138657
                3p
                   -1 :              -0.00003081620683
                   +0 :              -0.00000173561086
                   +1 :              -0.00000203368577
                3d
                   -2 :              -0.00000762005573
                   -1 :              -0.00000180415554
                   +0 :               0.00000115800416
                   +1 :               0.00000216270907
                   +2 :               0.00000059619239
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 15)  npairs=  14
              1 vec=     0.209286     -0.362794     -8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00035371243962
                2s
                   +0 :               0.00204867160160
                3s
                   +0 :              -0.00072902033603
                2p
                   -1 :              -0.00059295006958
                   +0 :              -0.00193201035593
                   +1 :              -0.00352535038574
                3p
                   -1 :               0.00031996441450
                   +0 :               0.00076282911595
                   +1 :               0.00184858510328
                3d
                   -2 :              -0.00011724472848
                   -1 :              -0.00001988704381
                   +0 :               0.00008655173059
                   +1 :              -0.00010439668176
                   +2 :               0.00005956814466
              2 vec=     0.209286      8.620964     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00007666244248
                2s
                   +0 :               0.00050620835678
                3s
                   +0 :              -0.00028567530029
                2p
                   -1 :               0.00025741739609
                   +0 :              -0.00014774856546
                   +1 :               0.00004449739267
                3p
                   -1 :              -0.00025065387036
                   +0 :               0.00014058998987
                   +1 :              -0.00035448732292
                3d
                   -2 :              -0.00006704863344
                   -1 :               0.00002407466178
                   +0 :               0.00001809763730
                   +1 :               0.00006162567850
                   +2 :              -0.00000262388921
              3 vec=    -7.570876      4.129085     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00013038758796
                2s
                   +0 :               0.00065248047991
                3s
                   +0 :              -0.00032999038191
                2p
                   -1 :              -0.00081414902660
                   +0 :              -0.00029627086594
                   +1 :               0.00112635508113
                3p
                   -1 :               0.00066105907142
                   +0 :               0.00017952563400
                   +1 :              -0.00112442267205
                3d
                   -2 :              -0.00006165252938
                   -1 :               0.00004161917401
                   +0 :              -0.00003423828576
                   +1 :               0.00009122144845
                   +2 :               0.00007774402370
              4 vec=     7.989449      4.129085     -8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00027760763272
                2s
                   +0 :              -0.00149155187797
                3s
                   +0 :               0.00105667189555
                2p
                   -1 :              -0.00192622516226
                   +0 :               0.00062445349608
                   +1 :              -0.00022939094302
                3p
                   -1 :               0.00179336106236
                   +0 :              -0.00063000738498
                   +1 :               0.00036551023363
                3d
                   -2 :               0.00011074400008
                   -1 :              -0.00014814348138
                   +0 :               0.00007871471169
                   +1 :              -0.00008247627913
                   +2 :              -0.00006499739716
              5 vec=    -7.570876     -4.854673     -8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00010145267292
                2s
                   +0 :              -0.00098195826349
                3s
                   +0 :               0.00022882258066
                2p
                   -1 :               0.00103488388212
                   +0 :               0.00071905412529
                   +1 :               0.00064373786993
                3p
                   -1 :              -0.00035732100464
                   +0 :              -0.00012541384427
                   +1 :              -0.00041334785485
                3d
                   -2 :              -0.00000604475555
                   -1 :               0.00001800564451
                   +0 :              -0.00002734230030
                   +1 :               0.00002585965694
                   +2 :               0.00000653351863
              6 vec=     7.989449     -4.854673     -8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00003269195258
                2s
                   +0 :               0.00058700407055
                3s
                   +0 :              -0.00007605618907
                2p
                   -1 :              -0.00064615630616
                   +0 :              -0.00072506665845
                   +1 :               0.00009372311053
                3p
                   -1 :               0.00028638765021
                   +0 :               0.00020950389496
                   +1 :               0.00004864427516
                3d
                   -2 :               0.00003195905878
                   -1 :              -0.00001828049240
                   +0 :               0.00004421845202
                   +1 :              -0.00000761036231
                   +2 :               0.00000956511400
              7 vec=     0.209286     -9.346552     -8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00003189668647
                2s
                   +0 :               0.00016094940169
                3s
                   +0 :              -0.00011332312912
                2p
                   -1 :               0.00022821016161
                   +0 :              -0.00006179703809
                   +1 :              -0.00048762158831
                3p
                   -1 :              -0.00018205867691
                   +0 :               0.00006577513810
                   +1 :               0.00019751152157
                3d
                   -2 :               0.00000592721867
                   -1 :              -0.00000373853346
                   +0 :              -0.00000984519424
                   +1 :              -0.00002233997751
                   +2 :              -0.00000589952508
              8 vec=     0.209286     -0.362794     16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000142892760
                2s
                   +0 :              -0.00000581205318
                3s
                   +0 :               0.00000549918552
                2p
                   -1 :              -0.00000926029889
                   +0 :              -0.00004910983793
                   +1 :               0.00001180293357
                3p
                   -1 :               0.00000293054520
                   +0 :               0.00004341482400
                   +1 :              -0.00002581347760
                3d
                   -2 :               0.00000207959391
                   -1 :               0.00000395545410
                   +0 :               0.00000298104287
                   +1 :              -0.00000114703592
                   +2 :               0.00000129535842
              9 vec=    -7.570876     13.112843     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00000988995300
                2s
                   +0 :               0.00004984131890
                3s
                   +0 :              -0.00006689762062
                2p
                   -1 :              -0.00002677653211
                   +0 :               0.00002577945716
                   +1 :               0.00006459209392
                3p
                   -1 :               0.00000265081392
                   +0 :              -0.00000548106445
                   +1 :              -0.00004345283501
                3d
                   -2 :              -0.00000498595980
                   -1 :               0.00000152850636
                   +0 :              -0.00000261899705
                   +1 :               0.00000409719886
                   +2 :               0.00000162201882
             10 vec=     7.989449     13.112843     -8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00000238957302
                2s
                   +0 :               0.00002235667186
                3s
                   +0 :               0.00000238240237
                2p
                   -1 :               0.00011003974140
                   +0 :              -0.00002942257279
                   +1 :              -0.00010439667168
                3p
                   -1 :              -0.00007172078318
                   +0 :               0.00002107052277
                   +1 :               0.00009756040354
                3d
                   -2 :               0.00001255124726
                   -1 :              -0.00000179898616
                   +0 :               0.00000283095792
                   +1 :              -0.00001396055510
                   +2 :               0.00000982065778
             11 vec=   -15.351039     -0.362794     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000341075109
                2s
                   +0 :              -0.00009830987732
                3s
                   +0 :              -0.00001227204699
                2p
                   -1 :              -0.00006118910316
                   +0 :               0.00010907063184
                   +1 :               0.00002552061304
                3p
                   -1 :               0.00002796872212
                   +0 :              -0.00000864431217
                   +1 :               0.00007887227123
                3d
                   -2 :               0.00000319558837
                   -1 :               0.00000542159757
                   +0 :               0.00000378615664
                   +1 :              -0.00000162907374
                   +2 :              -0.00001119359317
             12 vec=    15.769612     -0.362794     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000625677050
                2s
                   +0 :               0.00004725772806
                3s
                   +0 :               0.00001976460600
                2p
                   -1 :              -0.00010336445081
                   +0 :               0.00007251315107
                   +1 :              -0.00002530358649
                3p
                   -1 :               0.00010565138475
                   +0 :              -0.00008131573668
                   +1 :               0.00007232174095
                3d
                   -2 :               0.00000858370904
                   -1 :              -0.00000299379907
                   +0 :               0.00001122787957
                   +1 :              -0.00000659786632
                   +2 :               0.00000842951527
             13 vec=    -7.570876    -13.838431     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00001285304297
                2s
                   +0 :              -0.00007622761473
                3s
                   +0 :               0.00003045817683
                2p
                   -1 :               0.00009184548925
                   +0 :               0.00006208655035
                   +1 :              -0.00000983604002
                3p
                   -1 :              -0.00001763093148
                   +0 :               0.00001777168477
                   +1 :              -0.00000750580687
                3d
                   -2 :               0.00000109483737
                   -1 :               0.00000203713220
                   +0 :              -0.00000249817377
                   +1 :               0.00000174389429
                   +2 :              -0.00000174508118
             14 vec=     7.989449    -13.838431     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00001023175856
                2s
                   +0 :               0.00007230820098
                3s
                   +0 :              -0.00002816416332
                2p
                   -1 :              -0.00010871667882
                   +0 :              -0.00008237610848
                   +1 :              -0.00000559501485
                3p
                   -1 :               0.00002894228554
                   +0 :               0.00003496955785
                   +1 :               0.00001380381978
                3d
                   -2 :               0.00000003997658
                   -1 :              -0.00000271619704
                   +0 :              -0.00000093999958
                   +1 :              -0.00000153630391
                   +2 :              -0.00000008162641
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 16)  npairs=  14
              1 vec=    -2.174555     -1.739106      4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00104927706309
                2s
                   +0 :              -0.03851312380841
                3s
                   +0 :               0.00173393261497
                2p
                   -1 :               0.00855185954086
                   +0 :              -0.02792112391894
                   +1 :               0.00253853699786
                3p
                   -1 :               0.00105930176281
                   +0 :               0.00577622071743
                   +1 :               0.00147418842512
                3d
                   -2 :              -0.00080972419147
                   -1 :               0.00060130545454
                   +0 :              -0.00074450120033
                   +1 :              -0.00009611154953
                   +2 :               0.00041135259803
              2 vec=     5.605607      2.752773      4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00012827956334
                2s
                   +0 :              -0.00045004840366
                3s
                   +0 :               0.00036729204928
                2p
                   -1 :               0.00489086948466
                   +0 :              -0.00329688009802
                   +1 :               0.00188213011986
                3p
                   -1 :              -0.00356211391945
                   +0 :               0.00417531567571
                   +1 :              -0.00018522310055
                3d
                   -2 :              -0.00024494000066
                   -1 :              -0.00005968031191
                   +0 :               0.00032121700135
                   +1 :              -0.00035557846909
                   +2 :              -0.00012550615520
              3 vec=    -2.174555      7.244652      4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00042462401355
                2s
                   +0 :              -0.00251309231834
                3s
                   +0 :               0.00128376639047
                2p
                   -1 :              -0.00177351353363
                   +0 :              -0.00427650164044
                   +1 :              -0.00064484277087
                3p
                   -1 :               0.00139225561659
                   +0 :               0.00164637560700
                   +1 :               0.00003955491863
                3d
                   -2 :              -0.00003947558778
                   -1 :               0.00023086736300
                   +0 :              -0.00022711530703
                   +1 :              -0.00019929122768
                   +2 :              -0.00018286880546
              4 vec=     5.605607     -6.230985      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00026519864282
                2s
                   +0 :               0.00166829854502
                3s
                   +0 :              -0.00037053524434
                2p
                   -1 :              -0.00040880449300
                   +0 :               0.00117395771278
                   +1 :              -0.00090282560982
                3p
                   -1 :              -0.00022876172593
                   +0 :              -0.00064885646101
                   +1 :               0.00139933250190
                3d
                   -2 :              -0.00003135224979
                   -1 :               0.00011277463586
                   +0 :               0.00001738790682
                   +1 :               0.00001952702441
                   +2 :               0.00002670857293
              5 vec=    -9.954718      2.752773      4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00017364458246
                2s
                   +0 :               0.00038173904423
                3s
                   +0 :              -0.00049882418209
                2p
                   -1 :               0.00032466866963
                   +0 :              -0.00085795940789
                   +1 :               0.00078493214771
                3p
                   -1 :              -0.00054898695809
                   +0 :               0.00020401194544
                   +1 :              -0.00030366877535
                3d
                   -2 :               0.00000974967864
                   -1 :               0.00000084371104
                   +0 :              -0.00010198996964
                   +1 :               0.00001523609397
                   +2 :               0.00005625769843
              6 vec=    -2.174555    -10.722864      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00006479876605
                2s
                   +0 :               0.00027647547620
                3s
                   +0 :              -0.00011001395880
                2p
                   -1 :              -0.00035171940179
                   +0 :               0.00015818027043
                   +1 :               0.00023489332991
                3p
                   -1 :               0.00036691766570
                   +0 :              -0.00013751491588
                   +1 :              -0.00032271860773
                3d
                   -2 :               0.00003408371174
                   -1 :              -0.00003894127109
                   +0 :               0.00002494949964
                   +1 :              -0.00002746688389
                   +2 :              -0.00002041411497
              7 vec=    -9.954718     -6.230985      4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00000118750334
                2s
                   +0 :              -0.00044242180892
                3s
                   +0 :              -0.00009490974743
                2p
                   -1 :               0.00026218840137
                   +0 :              -0.00065584766639
                   +1 :               0.00032601711956
                3p
                   -1 :              -0.00018861283758
                   +0 :               0.00045318210291
                   +1 :              -0.00013744747953
                3d
                   -2 :               0.00001130488630
                   -1 :              -0.00003047229525
                   +0 :               0.00003317976250
                   +1 :              -0.00005151715443
                   +2 :              -0.00001757265751
              8 vec=     5.605607     11.736531      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00003898564894
                2s
                   +0 :              -0.00000782567302
                3s
                   +0 :               0.00014067378010
                2p
                   -1 :              -0.00020591013235
                   +0 :               0.00052671338321
                   +1 :              -0.00017097695518
                3p
                   -1 :               0.00023680923164
                   +0 :              -0.00020038019847
                   +1 :              -0.00002195389262
                3d
                   -2 :              -0.00002027145851
                   -1 :               0.00001583697286
                   +0 :               0.00001410048365
                   +1 :              -0.00002653680411
                   +2 :              -0.00000649513032
              9 vec=    13.385770     -1.739106      4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00008874956102
                2s
                   +0 :               0.00081609562154
                3s
                   +0 :              -0.00020395830889
                2p
                   -1 :              -0.00035522106366
                   +0 :               0.00023262326683
                   +1 :               0.00031499012302
                3p
                   -1 :               0.00020036263287
                   +0 :              -0.00001539843432
                   +1 :              -0.00013941928086
                3d
                   -2 :               0.00001780232597
                   -1 :               0.00001333901661
                   +0 :               0.00001383294469
                   +1 :              -0.00000541060238
                   +2 :              -0.00002387240817
             10 vec=    13.385770      7.244652      4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000467377727
                2s
                   +0 :               0.00006294754729
                3s
                   +0 :              -0.00000244699622
                2p
                   -1 :               0.00012875300200
                   +0 :               0.00011209733304
                   +1 :              -0.00003795969945
                3p
                   -1 :              -0.00009347422163
                   +0 :              -0.00003424692134
                   +1 :               0.00004284176723
                3d
                   -2 :               0.00000930251001
                   -1 :              -0.00000918497807
                   +0 :               0.00000094354892
                   +1 :               0.00000060517322
                   +2 :               0.00000990453456
             11 vec=    -9.954718     11.736531      4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00006503184402
                2s
                   +0 :              -0.00040881531856
                3s
                   +0 :               0.00018476006787
                2p
                   -1 :              -0.00015083922438
                   +0 :              -0.00017101090550
                   +1 :               0.00014372201291
                3p
                   -1 :               0.00003851438809
                   +0 :               0.00010928887217
                   +1 :              -0.00009883264783
                3d
                   -2 :               0.00000047848865
                   -1 :               0.00000653913441
                   +0 :               0.00001095767985
                   +1 :              -0.00001414149651
                   +2 :               0.00000241319044
             12 vec=     5.605607    -15.214743      4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00001939859827
                2s
                   +0 :               0.00013536355074
                3s
                   +0 :              -0.00005813077327
                2p
                   -1 :              -0.00018852862345
                   +0 :               0.00001324604133
                   +1 :               0.00001566863767
                3p
                   -1 :               0.00013159926668
                   +0 :              -0.00001785388116
                   +1 :              -0.00003285765122
                3d
                   -2 :               0.00000433809272
                   -1 :              -0.00000064162113
                   +0 :               0.00000122308354
                   +1 :              -0.00000784382884
                   +2 :               0.00000315684801
             13 vec=    -2.174555     16.228410      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00000831933571
                2s
                   +0 :              -0.00005541038428
                3s
                   +0 :               0.00001605187120
                2p
                   -1 :               0.00004572699519
                   +0 :              -0.00000624793764
                   +1 :              -0.00002672917142
                3p
                   -1 :              -0.00006406146409
                   +0 :               0.00000460187473
                   +1 :               0.00003630484363
                3d
                   -2 :              -0.00000372235453
                   -1 :               0.00000503736062
                   +0 :               0.00000271944197
                   +1 :              -0.00000124826017
                   +2 :              -0.00000348794156
             14 vec=    13.385770    -10.722864      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00001336021808
                2s
                   +0 :               0.00009897379414
                3s
                   +0 :              -0.00002486153436
                2p
                   -1 :              -0.00000161108335
                   +0 :               0.00002552343340
                   +1 :               0.00009142616371
                3p
                   -1 :              -0.00001503461588
                   +0 :               0.00000163838753
                   +1 :              -0.00004273705223
                3d
                   -2 :               0.00000748101585
                   -1 :               0.00000361476072
                   +0 :               0.00000069728056
                   +1 :               0.00000281246419
                   +2 :              -0.00000064092479
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 17)  npairs=  14
              1 vec=     2.593128     -1.739106      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00221899255845
                2s
                   +0 :               0.04002089304632
                3s
                   +0 :              -0.00468545307180
                2p
                   -1 :              -0.00809730831304
                   +0 :               0.02068910005430
                   +1 :               0.01578426683728
                3p
                   -1 :              -0.00076992113735
                   +0 :               0.00027424826901
                   +1 :              -0.00756119139196
                3d
                   -2 :              -0.00054340958290
                   -1 :              -0.00175707068517
                   +0 :               0.00132515906181
                   +1 :               0.00046169743715
                   +2 :              -0.00046792010817
              2 vec=    -5.187034      2.752773      4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00120399694496
                2s
                   +0 :              -0.00711719752893
                3s
                   +0 :               0.00404284451807
                2p
                   -1 :              -0.00244078622846
                   +0 :               0.00029821740198
                   +1 :               0.00797315021818
                3p
                   -1 :               0.00183112808110
                   +0 :              -0.00099517718785
                   +1 :              -0.00661842957767
                3d
                   -2 :              -0.00037875060584
                   -1 :               0.00009938788528
                   +0 :              -0.00024616398564
                   +1 :              -0.00020962389132
                   +2 :               0.00017139539937
              3 vec=     2.593128      7.244652      4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00019931249173
                2s
                   +0 :              -0.00140436188875
                3s
                   +0 :               0.00058997895088
                2p
                   -1 :              -0.00125725181834
                   +0 :               0.00214681384286
                   +1 :               0.00010790286902
                3p
                   -1 :               0.00070997418755
                   +0 :              -0.00085870497159
                   +1 :              -0.00060687538428
                3d
                   -2 :              -0.00013684333460
                   -1 :               0.00012536820165
                   +0 :               0.00008571931737
                   +1 :              -0.00010366197084
                   +2 :              -0.00002976632246
              4 vec=    -5.187034     -6.230985      4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00011110770201
                2s
                   +0 :              -0.00063820034771
                3s
                   +0 :               0.00023045053440
                2p
                   -1 :               0.00240864557226
                   +0 :              -0.00106501561662
                   +1 :               0.00159657586250
                3p
                   -1 :              -0.00188083940681
                   +0 :               0.00100024172589
                   +1 :              -0.00111867716433
                3d
                   -2 :               0.00007578177889
                   -1 :              -0.00007797914402
                   +0 :              -0.00001368985813
                   +1 :              -0.00001344161253
                   +2 :              -0.00002003833772
              5 vec=    10.373291      2.752773      4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00013124223715
                2s
                   +0 :               0.00127196832208
                3s
                   +0 :              -0.00049041867664
                2p
                   -1 :               0.00069719820687
                   +0 :               0.00003551594204
                   +1 :               0.00135204411369
                3p
                   -1 :              -0.00059160070391
                   +0 :               0.00020693183470
                   +1 :              -0.00086366461226
                3d
                   -2 :              -0.00007846341905
                   -1 :              -0.00005707305611
                   +0 :               0.00001209556812
                   +1 :               0.00008965583080
                   +2 :               0.00000131559484
              6 vec=     2.593128    -10.722864      4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00001454781068
                2s
                   +0 :               0.00002491628785
                3s
                   +0 :               0.00006703128653
                2p
                   -1 :               0.00004921241752
                   +0 :              -0.00038375034549
                   +1 :              -0.00024623985702
                3p
                   -1 :              -0.00024341965004
                   +0 :               0.00037068199777
                   +1 :               0.00010564270351
                3d
                   -2 :              -0.00003292851132
                   -1 :              -0.00002766357053
                   +0 :              -0.00006437223725
                   +1 :              -0.00003238191516
                   +2 :              -0.00004246300650
              7 vec=    10.373291     -6.230985      4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00003202807115
                2s
                   +0 :               0.00068074790020
                3s
                   +0 :              -0.00008043656621
                2p
                   -1 :               0.00033479515492
                   +0 :               0.00019195225595
                   +1 :               0.00038577953111
                3p
                   -1 :              -0.00023863169577
                   +0 :              -0.00007933522071
                   +1 :              -0.00018115347813
                3d
                   -2 :              -0.00002563802811
                   -1 :               0.00002193233941
                   +0 :               0.00001272948920
                   +1 :               0.00001092983531
                   +2 :              -0.00001296457620
              8 vec=    -5.187034     11.736531      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00001423359828
                2s
                   +0 :              -0.00013416825685
                3s
                   +0 :              -0.00007053029728
                2p
                   -1 :              -0.00033083504117
                   +0 :              -0.00024679679762
                   +1 :              -0.00055964969597
                3p
                   -1 :               0.00031566333093
                   +0 :               0.00000986166332
                   +1 :               0.00040281283493
                3d
                   -2 :               0.00000853525044
                   -1 :              -0.00002177601268
                   +0 :               0.00000249550274
                   +1 :              -0.00001436056518
                   +2 :              -0.00002891647683
              9 vec=   -12.967197     -1.739106      4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00003884246024
                2s
                   +0 :              -0.00065765630639
                3s
                   +0 :              -0.00000397210094
                2p
                   -1 :              -0.00012707437749
                   +0 :              -0.00039597949405
                   +1 :              -0.00010478614767
                3p
                   -1 :               0.00024049647581
                   +0 :              -0.00002590196023
                   +1 :               0.00022209962983
                3d
                   -2 :              -0.00000422667347
                   -1 :               0.00003579283313
                   +0 :              -0.00002472840955
                   +1 :              -0.00000087421860
                   +2 :               0.00000633952248
             10 vec=   -12.967197      7.244652      4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00003251558352
                2s
                   +0 :              -0.00023077340680
                3s
                   +0 :               0.00005191206427
                2p
                   -1 :              -0.00007058172636
                   +0 :              -0.00009530516459
                   +1 :               0.00019714703971
                3p
                   -1 :              -0.00000854753728
                   +0 :               0.00005524365020
                   +1 :              -0.00008725882710
                3d
                   -2 :               0.00000773850635
                   -1 :               0.00000328177788
                   +0 :              -0.00000660709197
                   +1 :              -0.00000100056381
                   +2 :               0.00000797444092
             11 vec=    10.373291     11.736531      4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000799096547
                2s
                   +0 :               0.00011316641034
                3s
                   +0 :              -0.00003940499209
                2p
                   -1 :               0.00010437784609
                   +0 :               0.00008931470756
                   +1 :               0.00007004770969
                3p
                   -1 :              -0.00002318934550
                   +0 :              -0.00005160082057
                   +1 :              -0.00002234845500
                3d
                   -2 :              -0.00000047042133
                   -1 :              -0.00000902856646
                   +0 :              -0.00001445708639
                   +1 :              -0.00000619814933
                   +2 :              -0.00000364966601
             12 vec=    -5.187034    -15.214743      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00001487740539
                2s
                   +0 :              -0.00010140852484
                3s
                   +0 :               0.00003363116846
                2p
                   -1 :               0.00005112175263
                   +0 :               0.00004755517337
                   +1 :              -0.00004224064392
                3p
                   -1 :               0.00000403022802
                   +0 :              -0.00007029915863
                   +1 :               0.00002643130049
                3d
                   -2 :               0.00000128784602
                   -1 :               0.00000392505425
                   +0 :              -0.00000166720810
                   +1 :              -0.00000428575604
                   +2 :              -0.00000329406424
             13 vec=     2.593128     16.228410      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000499132053
                2s
                   +0 :               0.00003417519167
                3s
                   +0 :              -0.00002225540594
                2p
                   -1 :               0.00001493783636
                   +0 :               0.00003404118468
                   +1 :              -0.00001796462123
                3p
                   -1 :              -0.00000949166446
                   +0 :              -0.00002796626750
                   +1 :               0.00000481485991
                3d
                   -2 :               0.00000511734771
                   -1 :               0.00000192985937
                   +0 :               0.00000246202330
                   +1 :              -0.00000132701681
                   +2 :              -0.00000057279312
             14 vec=   -12.967197    -10.722864      4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00000563126454
                2s
                   +0 :              -0.00006658661479
                3s
                   +0 :               0.00000005788659
                2p
                   -1 :               0.00005271731594
                   +0 :              -0.00000648224113
                   +1 :              -0.00009042337258
                3p
                   -1 :              -0.00000547600424
                   +0 :              -0.00002662829922
                   +1 :               0.00012411421344
                3d
                   -2 :              -0.00000632201802
                   -1 :              -0.00000295411428
                   +0 :              -0.00000397892808
                   +1 :               0.00000202915418
                   +2 :              -0.00000327663017
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 18)  npairs=  14
              1 vec=     0.209286      3.115717      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00238491102054
                2s
                   +0 :               0.01470632992729
                3s
                   +0 :              -0.00564800151594
                2p
                   -1 :               0.00626947443785
                   +0 :               0.00091337323737
                   +1 :              -0.00297832930419
                3p
                   -1 :              -0.00474188195232
                   +0 :               0.00190669987757
                   +1 :              -0.00419462894129
                3d
                   -2 :              -0.00093003914160
                   -1 :              -0.00010008391160
                   +0 :               0.00085688086930
                   +1 :              -0.00138894054906
                   +2 :               0.00005136358111
              2 vec=     0.209286     -5.868041      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00007797703417
                2s
                   +0 :               0.00171253527661
                3s
                   +0 :              -0.00031725703753
                2p
                   -1 :              -0.00423677628344
                   +0 :               0.00078422725846
                   +1 :               0.00260094641981
                3p
                   -1 :               0.00319654539563
                   +0 :              -0.00024312389637
                   +1 :              -0.00289686549297
                3d
                   -2 :               0.00011546730136
                   -1 :              -0.00001201620536
                   +0 :               0.00005918789966
                   +1 :              -0.00017236936227
                   +2 :               0.00035131644916
              3 vec=    -7.570876     -1.376162      4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00021223498595
                2s
                   +0 :              -0.00118534307435
                3s
                   +0 :               0.00035251805713
                2p
                   -1 :               0.00145081548401
                   +0 :              -0.00383259862647
                   +1 :               0.00124491852506
                3p
                   -1 :              -0.00015491046924
                   +0 :               0.00050344192826
                   +1 :              -0.00079195246251
                3d
                   -2 :               0.00006237498506
                   -1 :               0.00014695434715
                   +0 :              -0.00020951460696
                   +1 :              -0.00005729928350
                   +2 :               0.00009222392786
              4 vec=     7.989449     -1.376162      4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00028889379826
                2s
                   +0 :               0.00153027223484
                3s
                   +0 :              -0.00036875564225
                2p
                   -1 :              -0.00202843102667
                   +0 :               0.00242149840998
                   +1 :              -0.00044965568175
                3p
                   -1 :               0.00139572729289
                   +0 :              -0.00008783396259
                   +1 :               0.00071508750657
                3d
                   -2 :              -0.00006119241930
                   -1 :              -0.00009898547402
                   +0 :               0.00003941845108
                   +1 :               0.00017600628218
                   +2 :               0.00011756519946
              5 vec=    -7.570876      7.607596      4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00021913363587
                2s
                   +0 :               0.00098280315098
                3s
                   +0 :              -0.00069740685009
                2p
                   -1 :               0.00091676808550
                   +0 :              -0.00064898599540
                   +1 :              -0.00062693018173
                3p
                   -1 :              -0.00093593283722
                   +0 :               0.00027878171591
                   +1 :               0.00059931117640
                3d
                   -2 :               0.00002581690144
                   -1 :               0.00003830078048
                   +0 :              -0.00004382184717
                   +1 :              -0.00003048946224
                   +2 :               0.00003692672296
              6 vec=     7.989449      7.607596      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00000683279223
                2s
                   +0 :              -0.00000412675787
                3s
                   +0 :               0.00016477622521
                2p
                   -1 :               0.00020397913329
                   +0 :               0.00052830977187
                   +1 :               0.00026391668092
                3p
                   -1 :               0.00000164206040
                   +0 :              -0.00042633249342
                   +1 :              -0.00017617424021
                3d
                   -2 :               0.00006005377233
                   -1 :              -0.00001911940997
                   +0 :              -0.00007800703640
                   +1 :               0.00000023984354
                   +2 :              -0.00001830806226
              7 vec=     0.209286     12.099475      4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00006108426422
                2s
                   +0 :               0.00027011764576
                3s
                   +0 :              -0.00022856692998
                2p
                   -1 :               0.00032560753364
                   +0 :              -0.00016178722340
                   +1 :               0.00028082310932
                3p
                   -1 :              -0.00033542915163
                   +0 :               0.00006945060579
                   +1 :              -0.00018435465327
                3d
                   -2 :               0.00000770388745
                   -1 :              -0.00000703252691
                   +0 :               0.00000978112214
                   +1 :               0.00002367484730
                   +2 :               0.00000063302371
              8 vec=    -7.570876    -10.359920      4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00004703113993
                2s
                   +0 :               0.00002544173729
                3s
                   +0 :              -0.00018871697243
                2p
                   -1 :              -0.00040438393941
                   +0 :              -0.00019823458659
                   +1 :               0.00008544173825
                3p
                   -1 :               0.00043348453417
                   +0 :               0.00001436538823
                   +1 :               0.00001761964147
                3d
                   -2 :              -0.00000579781863
                   -1 :              -0.00002450749758
                   +0 :              -0.00002162229781
                   +1 :               0.00000128478957
                   +2 :               0.00002942937177
              9 vec=     7.989449    -10.359920      4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00004084025877
                2s
                   +0 :               0.00059062657286
                3s
                   +0 :              -0.00008816708306
                2p
                   -1 :              -0.00066797575670
                   +0 :               0.00009253295870
                   +1 :               0.00013170826272
                3p
                   -1 :               0.00042890038111
                   +0 :              -0.00001406164848
                   +1 :              -0.00002523031369
                3d
                   -2 :              -0.00000646172320
                   -1 :               0.00001287589309
                   +0 :               0.00001370573323
                   +1 :              -0.00001552750106
                   +2 :               0.00003597364037
             10 vec=     0.209286    -14.851799      4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00002117229889
                2s
                   +0 :              -0.00012709756951
                3s
                   +0 :               0.00007617973152
                2p
                   -1 :               0.00010627207649
                   +0 :              -0.00006539062961
                   +1 :              -0.00005664752635
                3p
                   -1 :              -0.00008548957849
                   +0 :               0.00005639627894
                   +1 :               0.00000462795430
                3d
                   -2 :               0.00000066931820
                   -1 :              -0.00000920495913
                   +0 :               0.00000024122666
                   +1 :              -0.00000753602600
                   +2 :              -0.00000342729709
             11 vec=   -15.351039      3.115717      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00001261215652
                2s
                   +0 :              -0.00012558980857
                3s
                   +0 :              -0.00001053989341
                2p
                   -1 :               0.00000254532412
                   +0 :               0.00003285935836
                   +1 :               0.00007562962492
                3p
                   -1 :              -0.00006044065525
                   +0 :              -0.00009688204820
                   +1 :               0.00007512847807
                3d
                   -2 :               0.00000099916694
                   -1 :              -0.00000427410106
                   +0 :               0.00001122579152
                   +1 :               0.00001110099950
                   +2 :              -0.00000962728131
             12 vec=    15.769612      3.115717      4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00001234162385
                2s
                   +0 :               0.00014261674287
                3s
                   +0 :              -0.00004782741505
                2p
                   -1 :               0.00000777007388
                   +0 :              -0.00006882180746
                   +1 :              -0.00000687922393
                3p
                   -1 :               0.00001210770193
                   +0 :               0.00007772666978
                   +1 :               0.00008857218723
                3d
                   -2 :              -0.00000986300300
                   -1 :              -0.00000642864101
                   +0 :              -0.00000390065400
                   +1 :              -0.00000900474270
                   +2 :               0.00001796496955
             13 vec=   -15.351039     -5.868041      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00002519606008
                2s
                   +0 :              -0.00015455211127
                3s
                   +0 :               0.00005483361796
                2p
                   -1 :               0.00000236477545
                   +0 :               0.00007676521768
                   +1 :               0.00008911604325
                3p
                   -1 :               0.00002140475395
                   +0 :              -0.00006518152006
                   +1 :              -0.00002339851715
                3d
                   -2 :              -0.00000116525188
                   -1 :              -0.00000007182807
                   +0 :              -0.00000166589340
                   +1 :              -0.00000109525889
                   +2 :              -0.00000561065035
             14 vec=    15.769612     -5.868041      4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00000911716874
                2s
                   +0 :               0.00008834226265
                3s
                   +0 :              -0.00002281586061
                2p
                   -1 :              -0.00011422232604
                   +0 :               0.00004763579216
                   +1 :               0.00003293727870
                3p
                   -1 :               0.00007394796682
                   +0 :              -0.00004408517215
                   +1 :               0.00002044927235
                3d
                   -2 :              -0.00000414996078
                   -1 :               0.00000583513582
                   +0 :              -0.00000339426860
                   +1 :              -0.00000015510164
                   +2 :               0.00000182065589
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 19)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00145307671698
                2s
                   +0 :              -0.00227451841732
                3s
                   +0 :              -0.00623597212315
                2p
                   -1 :               0.00854986184623
                   +0 :               0.01487387921306
                   +1 :               0.86818038704195
                3p
                   -1 :              -0.00386647335495
                   +0 :              -0.00543658736334
                   +1 :              -0.03847835183865
                3d
                   -2 :               0.00375869597202
                   -1 :              -0.00083688473960
                   +0 :              -0.00131127884166
                   +1 :              -0.00234613268372
                   +2 :              -0.00072054598224
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008588704815
                2s
                   +0 :              -0.00056353130088
                3s
                   +0 :              -0.00021216854329
                2p
                   -1 :               0.00121600087034
                   +0 :               0.00147459046847
                   +1 :               0.00051849458258
                3p
                   -1 :               0.00115710670859
                   +0 :              -0.00133024790246
                   +1 :               0.00013836663248
                3d
                   -2 :              -0.00011045111571
                   -1 :              -0.00002694029000
                   +0 :               0.00015007687384
                   +1 :               0.00001499759848
                   +2 :               0.00030862977324
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00012423890535
                2s
                   +0 :              -0.00106637491061
                3s
                   +0 :              -0.00010465147085
                2p
                   -1 :              -0.00372830835594
                   +0 :              -0.00026392438931
                   +1 :               0.00199023917120
                3p
                   -1 :               0.00108060828283
                   +0 :               0.00024313947762
                   +1 :              -0.00096343639365
                3d
                   -2 :              -0.00008397441954
                   -1 :              -0.00000345427772
                   +0 :              -0.00004751836369
                   +1 :              -0.00004022018184
                   +2 :               0.00013203789191
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028797535033
                2s
                   +0 :              -0.00205481763846
                3s
                   +0 :               0.00108592682672
                2p
                   -1 :               0.00226035414831
                   +0 :               0.00016548387408
                   +1 :              -0.00307736248993
                3p
                   -1 :              -0.00168027681966
                   +0 :              -0.00008816130049
                   +1 :               0.00105538473156
                3d
                   -2 :              -0.00002011678018
                   -1 :               0.00006335592181
                   +0 :              -0.00000346347486
                   +1 :              -0.00002299815059
                   +2 :              -0.00004763636003
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027547070413
                2s
                   +0 :               0.00131235557210
                3s
                   +0 :              -0.00116133022501
                2p
                   -1 :               0.00000460099314
                   +0 :              -0.00048497955318
                   +1 :              -0.00269066842098
                3p
                   -1 :              -0.00127249491389
                   +0 :               0.00034220230047
                   +1 :               0.00036263017689
                3d
                   -2 :              -0.00023275150594
                   -1 :              -0.00000442093142
                   +0 :               0.00006781716457
                   +1 :              -0.00006057361416
                   +2 :               0.00011970522070
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00047631964104
                2s
                   +0 :               0.00170164218381
                3s
                   +0 :              -0.00022628459084
                2p
                   -1 :              -0.00165058130768
                   +0 :              -0.00002867852278
                   +1 :               0.00070167463168
                3p
                   -1 :              -0.00061236303109
                   +0 :               0.00005887786207
                   +1 :              -0.00001063799273
                3d
                   -2 :               0.00001063325024
                   -1 :               0.00021883188816
                   +0 :              -0.00010372654085
                   +1 :               0.00001210053030
                   +2 :              -0.00029540947209
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008597122251
                2s
                   +0 :              -0.00101763908266
                3s
                   +0 :               0.00071516236897
                2p
                   -1 :              -0.00100127517905
                   +0 :              -0.00018238807529
                   +1 :              -0.00047746815666
                3p
                   -1 :               0.00102034732605
                   +0 :               0.00014269036403
                   +1 :               0.00114864177943
                3d
                   -2 :               0.00011124862364
                   -1 :              -0.00010292049713
                   +0 :               0.00014301751656
                   +1 :               0.00011172013228
                   +2 :               0.00020726824411
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00012942622255
                2s
                   +0 :              -0.00142279615250
                3s
                   +0 :               0.00024259795492
                2p
                   -1 :              -0.00001986226373
                   +0 :              -0.00015839236124
                   +1 :               0.00130049937635
                3p
                   -1 :              -0.00002192577144
                   +0 :               0.00015411981766
                   +1 :              -0.00017130803497
                3d
                   -2 :               0.00001693913843
                   -1 :              -0.00002401325208
                   +0 :               0.00003581081864
                   +1 :              -0.00000929210933
                   +2 :              -0.00006075296073
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002000924700
                2s
                   +0 :              -0.00034825152107
                3s
                   +0 :              -0.00000459720414
                2p
                   -1 :               0.00027347272147
                   +0 :               0.00008963973919
                   +1 :               0.00008173712084
                3p
                   -1 :               0.00003761588178
                   +0 :              -0.00006647270699
                   +1 :               0.00007518829412
                3d
                   -2 :              -0.00002128591672
                   -1 :               0.00000588815678
                   +0 :               0.00001650960217
                   +1 :              -0.00000809722732
                   +2 :               0.00000226894462
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00009028386645
                2s
                   +0 :              -0.00089144991627
                3s
                   +0 :               0.00021485367694
                2p
                   -1 :              -0.00077880246722
                   +0 :               0.00019533458576
                   +1 :               0.00032140002167
                3p
                   -1 :               0.00022000057027
                   +0 :              -0.00018536463179
                   +1 :              -0.00002972349456
                3d
                   -2 :               0.00002650283220
                   -1 :              -0.00000764193169
                   +0 :               0.00001224164109
                   +1 :              -0.00001010906495
                   +2 :               0.00000059490727
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001985953416
                2s
                   +0 :               0.00044685065222
                3s
                   +0 :              -0.00002139251868
                2p
                   -1 :              -0.00043739548629
                   +0 :               0.00005852376352
                   +1 :               0.00034251319250
                3p
                   -1 :               0.00002601675350
                   +0 :              -0.00006717830670
                   +1 :              -0.00009994495925
                3d
                   -2 :              -0.00001819666265
                   -1 :               0.00001943407864
                   +0 :              -0.00001530794895
                   +1 :              -0.00000006591784
                   +2 :              -0.00001661665892
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00006141941735
                2s
                   +0 :               0.00074946169534
                3s
                   +0 :              -0.00011692059061
                2p
                   -1 :               0.00099690650318
                   +0 :               0.00004572571929
                   +1 :               0.00013911978224
                3p
                   -1 :              -0.00028369029244
                   +0 :              -0.00002382547391
                   +1 :               0.00003370824350
                3d
                   -2 :               0.00003106129490
                   -1 :              -0.00000904767350
                   +0 :              -0.00000227191324
                   +1 :               0.00000500949294
                   +2 :              -0.00001080742390
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001174990953
                2s
                   +0 :               0.00071579880795
                3s
                   +0 :               0.00005530870271
                2p
                   -1 :              -0.00022078846492
                   +0 :              -0.00031810477449
                   +1 :               0.00124836617378
                3p
                   -1 :               0.00014509968510
                   +0 :               0.00031928897201
                   +1 :              -0.00030478392064
                3d
                   -2 :               0.00003147827783
                   -1 :               0.00002123353527
                   +0 :               0.00000279683303
                   +1 :               0.00004770425147
                   +2 :               0.00002335435700
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001892984418
                2s
                   +0 :              -0.00020643266366
                3s
                   +0 :               0.00004659513449
                2p
                   -1 :               0.00006308349541
                   +0 :               0.00000852813443
                   +1 :               0.00014603889146
                3p
                   -1 :               0.00001155151984
                   +0 :              -0.00000288444862
                   +1 :              -0.00002789552964
                3d
                   -2 :              -0.00000034882840
                   -1 :              -0.00000579575196
                   +0 :               0.00000137107660
                   +1 :              -0.00000098517913
                   +2 :               0.00000198870759
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000986613363
                2s
                   +0 :              -0.00010807866301
                3s
                   +0 :               0.00001041085758
                2p
                   -1 :              -0.00005239669776
                   +0 :               0.00000451981937
                   +1 :               0.00010201520391
                3p
                   -1 :               0.00001930193572
                   +0 :              -0.00000058398820
                   +1 :              -0.00001070127763
                3d
                   -2 :              -0.00000168053363
                   -1 :              -0.00000030110164
                   +0 :               0.00000020926618
                   +1 :               0.00000029959620
                   +2 :              -0.00000332114086
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000635169051
                2s
                   +0 :               0.00004779453448
                3s
                   +0 :              -0.00002300829486
                2p
                   -1 :              -0.00006502447155
                   +0 :               0.00001897178426
                   +1 :              -0.00003489467097
                3p
                   -1 :               0.00004503107694
                   +0 :              -0.00001808281363
                   +1 :              -0.00000178962595
                3d
                   -2 :               0.00000325359423
                   -1 :               0.00000190181167
                   +0 :               0.00000035560237
                   +1 :               0.00000133319787
                   +2 :               0.00000306702464
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000645464904
                2s
                   +0 :               0.00003460598226
                3s
                   +0 :              -0.00001349402940
                2p
                   -1 :               0.00006287888523
                   +0 :              -0.00005044031645
                   +1 :              -0.00007423434629
                3p
                   -1 :              -0.00005340387408
                   +0 :               0.00004441428421
                   +1 :               0.00002890559888
                3d
                   -2 :              -0.00000098685198
                   -1 :               0.00000207905633
                   +0 :              -0.00000161332333
                   +1 :              -0.00000173618567
                   +2 :              -0.00000082578389
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001174730970
                2s
                   +0 :               0.00010694870287
                3s
                   +0 :              -0.00000806088363
                2p
                   -1 :              -0.00001211364390
                   +0 :              -0.00000553773095
                   +1 :               0.00006157524305
                3p
                   -1 :              -0.00001474409362
                   +0 :               0.00000354104424
                   +1 :               0.00001724198888
                3d
                   -2 :               0.00000350215636
                   -1 :               0.00000169233591
                   +0 :               0.00000070535138
                   +1 :               0.00000337327291
                   +2 :              -0.00000038795263
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001241086327
                2s
                   +0 :               0.00015414617788
                3s
                   +0 :              -0.00002539383873
                2p
                   -1 :               0.00008776167616
                   +0 :               0.00004710328643
                   +1 :               0.00014781291284
                3p
                   -1 :              -0.00000300722306
                   +0 :              -0.00003042181971
                   +1 :              -0.00003650498143
                3d
                   -2 :              -0.00000065842767
                   -1 :               0.00000276940243
                   +0 :              -0.00000345055401
                   +1 :              -0.00000488164300
                   +2 :              -0.00000414195283
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 20)  npairs=  12
              1 vec=    -4.768202     -0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00500423816841
                2s
                   +0 :              -0.11469363590168
                3s
                   +0 :               0.01180184161069
                2p
                   -1 :               0.00736561681939
                   +0 :               0.00428015107870
                   +1 :               0.07072328764120
                3p
                   -1 :              -0.00370589178798
                   +0 :              -0.00387602343682
                   +1 :              -0.00988397021197
                3d
                   -2 :               0.00123280718012
                   -1 :               0.00105823065355
                   +0 :               0.00237598479805
                   +1 :               0.00014665052874
                   +2 :              -0.00357748809862
              2 vec=     3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00152235452059
                2s
                   +0 :               0.03021725219353
                3s
                   +0 :              -0.00283300825103
                2p
                   -1 :              -0.02126856959004
                   +0 :               0.00196532709813
                   +1 :               0.00960375491723
                3p
                   -1 :               0.00252773800292
                   +0 :              -0.00152704683517
                   +1 :              -0.00044487280587
                3d
                   -2 :              -0.00083770461315
                   -1 :              -0.00033305574294
                   +0 :              -0.00077637365474
                   +1 :               0.00029337911449
                   +2 :              -0.00115337783108
              3 vec=     3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00015458936369
                2s
                   +0 :               0.02687906088874
                3s
                   +0 :               0.00465266634624
                2p
                   -1 :               0.02134909677621
                   +0 :               0.00319285866041
                   +1 :               0.00805215861093
                3p
                   -1 :               0.00443960407043
                   +0 :              -0.00350312005225
                   +1 :               0.00212570108555
                3d
                   -2 :               0.00189523927240
                   -1 :              -0.00069538861217
                   +0 :              -0.00126768912971
                   +1 :               0.00053700581136
                   +2 :              -0.00148462128783
              4 vec=    -4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00022636279437
                2s
                   +0 :              -0.00249130885812
                3s
                   +0 :               0.00043174425498
                2p
                   -1 :               0.00257458374947
                   +0 :              -0.00037055578361
                   +1 :               0.00173246413810
                3p
                   -1 :              -0.00054491543077
                   +0 :               0.00020030483418
                   +1 :              -0.00072884467031
                3d
                   -2 :              -0.00002244745572
                   -1 :               0.00006175543284
                   +0 :              -0.00005032512503
                   +1 :              -0.00002068644984
                   +2 :               0.00006400567321
              5 vec=    -4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00028360225872
                2s
                   +0 :              -0.00298970550153
                3s
                   +0 :               0.00018772149956
                2p
                   -1 :              -0.00391608219275
                   +0 :              -0.00004454778608
                   +1 :               0.00126193818107
                3p
                   -1 :              -0.00015234834295
                   +0 :               0.00021846573528
                   +1 :              -0.00002611698284
                3d
                   -2 :               0.00025524686491
                   -1 :               0.00009399990260
                   +0 :               0.00019387001410
                   +1 :              -0.00000595585879
                   +2 :               0.00015149819154
              6 vec=    10.792123      0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00099974665771
                2s
                   +0 :               0.00827156288429
                3s
                   +0 :              -0.00251252574514
                2p
                   -1 :               0.00008700760798
                   +0 :              -0.00163456218543
                   +1 :               0.00784795032867
                3p
                   -1 :               0.00010207864096
                   +0 :               0.00156308331038
                   +1 :              -0.00266216071117
                3d
                   -2 :               0.00005511785905
                   -1 :              -0.00005077100892
                   +0 :              -0.00006126873050
                   +1 :               0.00009148123178
                   +2 :               0.00006874164228
              7 vec=   -12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00007406971965
                2s
                   +0 :              -0.00101205410597
                3s
                   +0 :               0.00001146902673
                2p
                   -1 :               0.00042543948006
                   +0 :               0.00006882428773
                   +1 :              -0.00029587696357
                3p
                   -1 :               0.00010330968064
                   +0 :              -0.00008356273313
                   +1 :               0.00033695281272
                3d
                   -2 :              -0.00000395417595
                   -1 :               0.00001926391171
                   +0 :               0.00002631773194
                   +1 :               0.00000458561871
                   +2 :               0.00003914594905
              8 vec=   -12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00002101078689
                2s
                   +0 :              -0.00062676014655
                3s
                   +0 :              -0.00002326328482
                2p
                   -1 :              -0.00034124927538
                   +0 :              -0.00011189333662
                   +1 :              -0.00017107047749
                3p
                   -1 :               0.00012437342100
                   +0 :               0.00011737860962
                   +1 :               0.00026521476072
                3d
                   -2 :              -0.00003224585640
                   -1 :               0.00000714237731
                   +0 :               0.00002946347938
                   +1 :               0.00000888287725
                   +2 :              -0.00000588171371
              9 vec=     3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00000882338097
                2s
                   +0 :               0.00012601755382
                3s
                   +0 :              -0.00003857321131
                2p
                   -1 :              -0.00007884391945
                   +0 :              -0.00006231390830
                   +1 :              -0.00021930638862
                3p
                   -1 :               0.00006010626406
                   +0 :               0.00004363427115
                   +1 :              -0.00012090874313
                3d
                   -2 :               0.00005217165623
                   -1 :              -0.00000077251268
                   +0 :               0.00001413136418
                   +1 :              -0.00001561745814
                   +2 :               0.00000758129965
             10 vec=     3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005416381315
                2s
                   +0 :              -0.00039646975884
                3s
                   +0 :               0.00014705667277
                2p
                   -1 :              -0.00035184414429
                   +0 :              -0.00010135381566
                   +1 :              -0.00058228111224
                3p
                   -1 :               0.00019848295103
                   +0 :               0.00009881714248
                   +1 :               0.00012730773231
                3d
                   -2 :              -0.00004098818962
                   -1 :               0.00000111923598
                   +0 :              -0.00002929966448
                   +1 :              -0.00000498346649
                   +2 :              -0.00000072234800
             11 vec=    10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00005284387786
                2s
                   +0 :               0.00072108753334
                3s
                   +0 :              -0.00013583852689
                2p
                   -1 :              -0.00028318809507
                   +0 :               0.00007041885713
                   +1 :               0.00029996734724
                3p
                   -1 :              -0.00001942635818
                   +0 :              -0.00005001305312
                   +1 :              -0.00000297404796
                3d
                   -2 :              -0.00000729658301
                   -1 :              -0.00000986575828
                   +0 :              -0.00000741642133
                   +1 :              -0.00000023901015
                   +2 :              -0.00001387123934
             12 vec=    10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00009458365606
                2s
                   +0 :               0.00091550422878
                3s
                   +0 :              -0.00024183704044
                2p
                   -1 :              -0.00002455922815
                   +0 :               0.00010031539273
                   +1 :               0.00072226075222
                3p
                   -1 :               0.00002960858433
                   +0 :              -0.00007516197545
                   +1 :              -0.00035611523816
                3d
                   -2 :              -0.00002403235867
                   -1 :               0.00000253329589
                   +0 :               0.00002594454994
                   +1 :              -0.00000343724262
                   +2 :              -0.00000877848976
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 21)  npairs=  12
              1 vec=    -2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00163283572872
                2s
                   +0 :              -0.05498758215313
                3s
                   +0 :               0.00413562611194
                2p
                   -1 :              -0.04165574260439
                   +0 :              -0.00373813751131
                   +1 :               0.00826960642782
                3p
                   -1 :               0.00747379535925
                   +0 :               0.00200476660247
                   +1 :              -0.00179233726674
                3d
                   -2 :               0.00127035208979
                   -1 :               0.00037631153671
                   +0 :               0.00055077628492
                   +1 :               0.00048748608857
                   +2 :               0.00124349432909
              2 vec=    -2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00213102602664
                2s
                   +0 :              -0.02810687163231
                3s
                   +0 :               0.00546689769353
                2p
                   -1 :               0.01781014399962
                   +0 :              -0.00049190141206
                   +1 :               0.00262074724380
                3p
                   -1 :              -0.00326132159279
                   +0 :               0.00024505689474
                   +1 :               0.00080216403235
                3d
                   -2 :              -0.00045393302097
                   -1 :               0.00005004389513
                   +0 :               0.00039214035244
                   +1 :               0.00042659107758
                   +2 :               0.00070453222479
              3 vec=     5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00074858338444
                2s
                   +0 :               0.04742938479973
                3s
                   +0 :               0.00279305522399
                2p
                   -1 :              -0.00313485340626
                   +0 :               0.00370762687769
                   +1 :               0.03406155979366
                3p
                   -1 :              -0.00313673573493
                   +0 :              -0.00436078545211
                   +1 :               0.00664684687243
                3d
                   -2 :              -0.00038872874007
                   -1 :              -0.00003436542361
                   +0 :              -0.00190979342631
                   +1 :              -0.00099709711995
                   +2 :               0.00350369732315
              4 vec=   -10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00051409588511
                2s
                   +0 :              -0.00602322843459
                3s
                   +0 :               0.00038216176733
                2p
                   -1 :               0.00150402034412
                   +0 :              -0.00037084125800
                   +1 :               0.00836177223886
                3p
                   -1 :              -0.00013382084306
                   +0 :              -0.00001062764238
                   +1 :              -0.00072464389020
                3d
                   -2 :              -0.00002203517112
                   -1 :               0.00001351380743
                   +0 :               0.00019019537112
                   +1 :               0.00011121262989
                   +2 :              -0.00043486684828
              5 vec=     5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00074481005277
                2s
                   +0 :               0.00604741721844
                3s
                   +0 :              -0.00162495951595
                2p
                   -1 :               0.00586556461989
                   +0 :               0.00018560699780
                   +1 :               0.00066483526408
                3p
                   -1 :              -0.00135241173771
                   +0 :              -0.00017683465385
                   +1 :               0.00113487795013
                3d
                   -2 :               0.00035272999903
                   -1 :              -0.00007119083528
                   +0 :              -0.00038322931705
                   +1 :              -0.00011417558536
                   +2 :              -0.00005458599140
              6 vec=     5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00031543347740
                2s
                   +0 :               0.00319236494056
                3s
                   +0 :              -0.00061292232735
                2p
                   -1 :              -0.00338841972919
                   +0 :               0.00036342558572
                   +1 :               0.00080399313812
                3p
                   -1 :               0.00085545463827
                   +0 :              -0.00036110436592
                   +1 :              -0.00006424259109
                3d
                   -2 :              -0.00007071723563
                   -1 :              -0.00002134209932
                   +0 :              -0.00006890862119
                   +1 :              -0.00008174177147
                   +2 :              -0.00009891640735
              7 vec=   -10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00004788459742
                2s
                   +0 :              -0.00095844033106
                3s
                   +0 :               0.00003263572049
                2p
                   -1 :               0.00001935371790
                   +0 :               0.00005887809528
                   +1 :               0.00038817757563
                3p
                   -1 :              -0.00036911647483
                   +0 :              -0.00007181577316
                   +1 :              -0.00003131526248
                3d
                   -2 :               0.00003577584960
                   -1 :               0.00000670542245
                   +0 :               0.00002684211546
                   +1 :               0.00000107390860
                   +2 :               0.00003147583818
              8 vec=    -2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00008514384433
                2s
                   +0 :              -0.00067075786605
                3s
                   +0 :               0.00014280839721
                2p
                   -1 :               0.00010320519198
                   +0 :              -0.00015641770457
                   +1 :              -0.00038426978044
                3p
                   -1 :              -0.00017563347429
                   +0 :               0.00015298082004
                   +1 :               0.00011847179242
                3d
                   -2 :              -0.00001217835997
                   -1 :               0.00001416476454
                   +0 :               0.00002584103362
                   +1 :               0.00001436808126
                   +2 :              -0.00001240243023
              9 vec=   -10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005347495265
                2s
                   +0 :              -0.00073081194981
                3s
                   +0 :               0.00006388662061
                2p
                   -1 :               0.00081535031771
                   +0 :              -0.00003486861165
                   +1 :               0.00021428336015
                3p
                   -1 :              -0.00032390636033
                   +0 :               0.00001251276233
                   +1 :               0.00009100615300
                3d
                   -2 :              -0.00000070861882
                   -1 :              -0.00000483418243
                   +0 :               0.00000766776825
                   +1 :               0.00001278668032
                   +2 :              -0.00002223967377
             10 vec=    13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00006148182215
                2s
                   +0 :               0.00086773533158
                3s
                   +0 :              -0.00017263393811
                2p
                   -1 :               0.00071483073392
                   +0 :               0.00006091761315
                   +1 :               0.00024609586984
                3p
                   -1 :              -0.00022791575692
                   +0 :              -0.00004982286160
                   +1 :              -0.00003804806876
                3d
                   -2 :               0.00000587702647
                   -1 :              -0.00002773169642
                   +0 :              -0.00000999136093
                   +1 :               0.00000059397564
                   +2 :              -0.00001242643123
             11 vec=    -2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00000447257285
                2s
                   +0 :              -0.00004276660013
                3s
                   +0 :              -0.00004146133797
                2p
                   -1 :               0.00003774803266
                   +0 :               0.00013068604082
                   +1 :              -0.00013693695206
                3p
                   -1 :              -0.00000885430790
                   +0 :              -0.00012135978063
                   +1 :              -0.00002419467252
                3d
                   -2 :               0.00000557904657
                   -1 :               0.00000189635003
                   +0 :               0.00000879701303
                   +1 :               0.00001154442806
                   +2 :              -0.00000574842529
             12 vec=    13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00000309106585
                2s
                   +0 :               0.00031908563111
                3s
                   +0 :              -0.00001858972673
                2p
                   -1 :               0.00001528490626
                   +0 :              -0.00018346299157
                   +1 :               0.00005913043119
                3p
                   -1 :              -0.00010469415338
                   +0 :               0.00016124424204
                   +1 :               0.00003066831627
                3d
                   -2 :               0.00001382306034
                   -1 :              -0.00000571010548
                   +0 :              -0.00000694352030
                   +1 :               0.00000195087687
                   +2 :              -0.00001357829337
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 22)  npairs=  18
              1 vec=     3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00007313760709
                2s
                   +0 :               0.00067691060987
                3s
                   +0 :              -0.00020566870442
                2p
                   -1 :               0.00022740987708
                   +0 :              -0.00043297365540
                   +1 :               0.00020178309889
                3p
                   -1 :              -0.00014623975942
                   +0 :               0.00027484783377
                   +1 :              -0.00004155757391
                3d
                   -2 :              -0.00000937658364
                   -1 :               0.00000297551940
                   +0 :              -0.00005505408346
                   +1 :              -0.00002293133123
                   +2 :               0.00000683318492
              2 vec=     3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006986423400
                2s
                   +0 :              -0.00046241981722
                3s
                   +0 :               0.00028847818457
                2p
                   -1 :               0.00003009152032
                   +0 :              -0.00034569862496
                   +1 :              -0.00031024927953
                3p
                   -1 :               0.00001112636439
                   +0 :               0.00035326315310
                   +1 :               0.00018561836354
                3d
                   -2 :               0.00000012938237
                   -1 :              -0.00001696967456
                   +0 :               0.00000682080671
                   +1 :              -0.00000677136606
                   +2 :               0.00000133414860
              3 vec=    -4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00003040890998
                2s
                   +0 :              -0.00032030201368
                3s
                   +0 :               0.00001321616029
                2p
                   -1 :              -0.00040199140498
                   +0 :               0.00003337626110
                   +1 :              -0.00029147077164
                3p
                   -1 :               0.00012583731847
                   +0 :               0.00008304146100
                   +1 :               0.00008964147470
                3d
                   -2 :              -0.00000959407434
                   -1 :              -0.00000229280901
                   +0 :               0.00001374646936
                   +1 :              -0.00000949915411
                   +2 :              -0.00000350625705
              4 vec=    -4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00009094684014
                2s
                   +0 :              -0.00058586831138
                3s
                   +0 :               0.00022129996087
                2p
                   -1 :               0.00009671022594
                   +0 :              -0.00044543204757
                   +1 :               0.00006439227232
                3p
                   -1 :              -0.00029658902189
                   +0 :               0.00025179660747
                   +1 :              -0.00010393498760
                3d
                   -2 :              -0.00002325493838
                   -1 :              -0.00005075048580
                   +0 :               0.00001858436165
                   +1 :              -0.00002015178686
                   +2 :               0.00001582877823
              5 vec=    -4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001420893555
                2s
                   +0 :              -0.00031685291370
                3s
                   +0 :               0.00001583928296
                2p
                   -1 :               0.00006250044580
                   +0 :               0.00033294440706
                   +1 :               0.00005428886125
                3p
                   -1 :              -0.00006971017980
                   +0 :              -0.00005892944427
                   +1 :               0.00003749716277
                3d
                   -2 :               0.00000337649453
                   -1 :               0.00000865895008
                   +0 :              -0.00000288971781
                   +1 :              -0.00001046681413
                   +2 :              -0.00001148249585
              6 vec=    -4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004103597647
                2s
                   +0 :              -0.00062524676872
                3s
                   +0 :               0.00005450899456
                2p
                   -1 :               0.00023574954896
                   +0 :              -0.00070986808289
                   +1 :               0.00033519138678
                3p
                   -1 :              -0.00003343757820
                   +0 :               0.00007608210445
                   +1 :              -0.00006093257865
                3d
                   -2 :              -0.00001239098933
                   -1 :               0.00000670597306
                   +0 :              -0.00001746172364
                   +1 :               0.00000237376437
                   +2 :              -0.00000012654574
              7 vec=     3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001886498438
                2s
                   +0 :               0.00013554764485
                3s
                   +0 :              -0.00008100545608
                2p
                   -1 :              -0.00006932421507
                   +0 :               0.00017165257701
                   +1 :               0.00002847737417
                3p
                   -1 :               0.00008356451787
                   +0 :              -0.00007587236772
                   +1 :              -0.00006660867411
                3d
                   -2 :              -0.00002520506505
                   -1 :              -0.00000197034217
                   +0 :               0.00002538270489
                   +1 :               0.00002325933923
                   +2 :              -0.00003272247598
              8 vec=     3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001829518252
                2s
                   +0 :               0.00006164892066
                3s
                   +0 :              -0.00007598259156
                2p
                   -1 :               0.00011636134434
                   +0 :              -0.00005114117357
                   +1 :              -0.00033306865357
                3p
                   -1 :              -0.00008453710830
                   +0 :              -0.00005537295587
                   +1 :               0.00022752618769
                3d
                   -2 :               0.00000790125777
                   -1 :              -0.00000880014613
                   +0 :              -0.00002244956489
                   +1 :               0.00001426383465
                   +2 :              -0.00000537791267
              9 vec=     3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000935273607
                2s
                   +0 :               0.00006813520608
                3s
                   +0 :              -0.00001889558019
                2p
                   -1 :              -0.00009495828386
                   +0 :              -0.00001978982144
                   +1 :              -0.00005245835021
                3p
                   -1 :               0.00003842603210
                   +0 :              -0.00003180699136
                   +1 :               0.00001782476796
                3d
                   -2 :              -0.00000121918250
                   -1 :               0.00000395551696
                   +0 :              -0.00000031410188
                   +1 :               0.00000093378585
                   +2 :               0.00000193348344
             10 vec=     3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000988182531
                2s
                   +0 :               0.00006521747722
                3s
                   +0 :              -0.00003666835179
                2p
                   -1 :              -0.00007508544281
                   +0 :              -0.00002723347993
                   +1 :               0.00008467112987
                3p
                   -1 :               0.00003758354298
                   +0 :               0.00008176100064
                   +1 :              -0.00011344002428
                3d
                   -2 :               0.00000649957915
                   -1 :               0.00000370484919
                   +0 :               0.00000648887511
                   +1 :              -0.00000062892857
                   +2 :               0.00000373050361
             11 vec=    10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000066331415
                2s
                   +0 :               0.00000907323839
                3s
                   +0 :               0.00003500356984
                2p
                   -1 :              -0.00006436591095
                   +0 :               0.00019475477147
                   +1 :              -0.00004534463492
                3p
                   -1 :               0.00006423941417
                   +0 :              -0.00027678668063
                   +1 :               0.00004261874163
                3d
                   -2 :              -0.00001934503487
                   -1 :              -0.00000660210963
                   +0 :               0.00002936296168
                   +1 :               0.00000017893207
                   +2 :              -0.00001519978499
             12 vec=    10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000702118367
                2s
                   +0 :              -0.00002564113053
                3s
                   +0 :               0.00002456707508
                2p
                   -1 :               0.00011225882431
                   +0 :               0.00000848352401
                   +1 :              -0.00009142212050
                3p
                   -1 :              -0.00007531149283
                   +0 :               0.00004592475950
                   +1 :               0.00008214232030
                3d
                   -2 :              -0.00000820124131
                   -1 :              -0.00000632587537
                   +0 :               0.00000041561942
                   +1 :               0.00000577819585
                   +2 :               0.00000580857826
             13 vec=    10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001336757115
                2s
                   +0 :               0.00014440302407
                3s
                   +0 :              -0.00001199178889
                2p
                   -1 :              -0.00001998413162
                   +0 :              -0.00003170413145
                   +1 :               0.00004059809978
                3p
                   -1 :               0.00000516387019
                   +0 :              -0.00001378542774
                   +1 :               0.00002399970507
                3d
                   -2 :               0.00000072152347
                   -1 :              -0.00000162575775
                   +0 :              -0.00000308144078
                   +1 :              -0.00000508726526
                   +2 :               0.00000271285938
             14 vec=    10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001814145336
                2s
                   +0 :               0.00016509002149
                3s
                   +0 :              -0.00003546724273
                2p
                   -1 :              -0.00011700554547
                   +0 :               0.00007268547338
                   +1 :               0.00003186874535
                3p
                   -1 :               0.00005934619926
                   +0 :               0.00000794743866
                   +1 :               0.00003214393153
                3d
                   -2 :              -0.00000033806729
                   -1 :               0.00000036290029
                   +0 :               0.00000510273125
                   +1 :               0.00000068675763
                   +2 :               0.00000837839689
             15 vec=   -12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000437922293
                2s
                   +0 :              -0.00007816386744
                3s
                   +0 :               0.00000633893292
                2p
                   -1 :               0.00004949401464
                   +0 :              -0.00004466659557
                   +1 :               0.00006977632947
                3p
                   -1 :              -0.00006264642143
                   +0 :               0.00004615765291
                   +1 :              -0.00005383843608
                3d
                   -2 :               0.00000491469998
                   -1 :               0.00000502536855
                   +0 :               0.00000096159143
                   +1 :              -0.00000073854010
                   +2 :               0.00000313616844
             16 vec=   -12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001543372321
                2s
                   +0 :              -0.00011005313015
                3s
                   +0 :               0.00004305357343
                2p
                   -1 :               0.00006615423590
                   +0 :              -0.00007663796565
                   +1 :               0.00010453859968
                3p
                   -1 :              -0.00002629332731
                   +0 :               0.00001384446218
                   +1 :              -0.00004297466332
                3d
                   -2 :              -0.00000307297930
                   -1 :               0.00000275434689
                   +0 :              -0.00000072793446
                   +1 :              -0.00000439843393
                   +2 :               0.00000095119333
             17 vec=    -4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001584315027
                2s
                   +0 :              -0.00011936626827
                3s
                   +0 :               0.00006083592837
                2p
                   -1 :              -0.00004019869694
                   +0 :               0.00014894373583
                   +1 :              -0.00001090434262
                3p
                   -1 :               0.00003694430514
                   +0 :              -0.00009462149177
                   +1 :              -0.00001566002268
                3d
                   -2 :               0.00000921145056
                   -1 :              -0.00000462887964
                   +0 :               0.00000685607201
                   +1 :               0.00000060057332
                   +2 :               0.00000137109914
             18 vec=    -4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001225100552
                2s
                   +0 :              -0.00010215964714
                3s
                   +0 :               0.00005156475725
                2p
                   -1 :              -0.00008786202161
                   +0 :              -0.00006243235101
                   +1 :              -0.00006613432680
                3p
                   -1 :               0.00006326854791
                   +0 :               0.00003634799697
                   +1 :               0.00003407046726
                3d
                   -2 :              -0.00000193556151
                   -1 :               0.00000935089028
                   +0 :               0.00000112524666
                   +1 :              -0.00000314338534
                   +2 :              -0.00001050069105
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 23)  npairs=  14
              1 vec=    -0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004889878963
                2s
                   +0 :               0.00041291572932
                3s
                   +0 :              -0.00018136452396
                2p
                   -1 :              -0.00012127130412
                   +0 :              -0.00051190726313
                   +1 :               0.00024973314137
                3p
                   -1 :               0.00018292660181
                   +0 :               0.00037236239112
                   +1 :              -0.00015740583070
                3d
                   -2 :               0.00001425927690
                   -1 :              -0.00003537099096
                   +0 :              -0.00003930368225
                   +1 :               0.00001291699754
                   +2 :              -0.00000866856903
              2 vec=    -0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00007913923328
                2s
                   +0 :              -0.00052330300561
                3s
                   +0 :               0.00035185499951
                2p
                   -1 :              -0.00003565887064
                   +0 :              -0.00035254674150
                   +1 :               0.00002414625721
                3p
                   -1 :               0.00003096595345
                   +0 :               0.00042320282899
                   +1 :               0.00004468732482
                3d
                   -2 :              -0.00001065603424
                   -1 :               0.00001606801888
                   +0 :               0.00004834801332
                   +1 :              -0.00000474168197
                   +2 :              -0.00001233704869
              3 vec=    -0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001414231489
                2s
                   +0 :              -0.00010208833468
                3s
                   +0 :              -0.00009852692748
                2p
                   -1 :               0.00001012985094
                   +0 :               0.00024883036958
                   +1 :              -0.00025472299697
                3p
                   -1 :               0.00005145944778
                   +0 :              -0.00002942856610
                   +1 :              -0.00006532116494
                3d
                   -2 :              -0.00001375364939
                   -1 :              -0.00002998918710
                   +0 :              -0.00000463368535
                   +1 :               0.00002279849244
                   +2 :               0.00000862911227
              4 vec=    -0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001566995764
                2s
                   +0 :               0.00004505929910
                3s
                   +0 :              -0.00002395078360
                2p
                   -1 :               0.00018529750839
                   +0 :              -0.00018809815901
                   +1 :              -0.00074032036942
                3p
                   -1 :              -0.00010273242659
                   +0 :               0.00005014973934
                   +1 :               0.00019022417056
                3d
                   -2 :               0.00001839056755
                   -1 :               0.00000965934541
                   +0 :               0.00001269219039
                   +1 :              -0.00002190336685
                   +2 :               0.00000355473264
              5 vec=     7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000198648637
                2s
                   +0 :               0.00021727375009
                3s
                   +0 :               0.00007578747162
                2p
                   -1 :              -0.00005435203082
                   +0 :              -0.00013347126379
                   +1 :               0.00021731281466
                3p
                   -1 :               0.00000105641988
                   +0 :               0.00005973610607
                   +1 :              -0.00011117998757
                3d
                   -2 :               0.00001234885002
                   -1 :               0.00001956021155
                   +0 :              -0.00001993973944
                   +1 :               0.00001589674862
                   +2 :              -0.00002989880871
              6 vec=     7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00001787358432
                2s
                   +0 :               0.00013555923747
                3s
                   +0 :              -0.00001750510137
                2p
                   -1 :               0.00020628902547
                   +0 :               0.00014219418556
                   +1 :               0.00001242183185
                3p
                   -1 :              -0.00020758081000
                   +0 :              -0.00003737648124
                   +1 :               0.00000262183013
                3d
                   -2 :              -0.00000915870212
                   -1 :              -0.00001877452519
                   +0 :              -0.00002142517095
                   +1 :               0.00000016547286
                   +2 :              -0.00000518102039
              7 vec=    -7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006142597764
                2s
                   +0 :              -0.00047886479968
                3s
                   +0 :               0.00020291509479
                2p
                   -1 :               0.00012827724161
                   +0 :               0.00011192737348
                   +1 :              -0.00005472239437
                3p
                   -1 :              -0.00004883640208
                   +0 :              -0.00006879130392
                   +1 :               0.00006932397473
                3d
                   -2 :              -0.00001370342081
                   -1 :              -0.00000482498870
                   +0 :               0.00001290139985
                   +1 :               0.00000238757137
                   +2 :              -0.00000710569179
              8 vec=    -7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002718481110
                2s
                   +0 :              -0.00025561117755
                3s
                   +0 :               0.00001706088659
                2p
                   -1 :              -0.00010894758062
                   +0 :              -0.00015646192852
                   +1 :               0.00006004555828
                3p
                   -1 :               0.00011550878303
                   +0 :              -0.00001095962494
                   +1 :               0.00001122901965
                3d
                   -2 :              -0.00000597929701
                   -1 :               0.00000998193216
                   +0 :              -0.00001067858296
                   +1 :               0.00001603613299
                   +2 :               0.00000583864552
              9 vec=     7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00003740064456
                2s
                   +0 :               0.00023555196738
                3s
                   +0 :              -0.00009441922501
                2p
                   -1 :               0.00012365197482
                   +0 :              -0.00022627010308
                   +1 :               0.00029971610101
                3p
                   -1 :              -0.00005420904139
                   +0 :               0.00011347811179
                   +1 :              -0.00026545671278
                3d
                   -2 :              -0.00001280098273
                   -1 :               0.00001209423649
                   +0 :              -0.00000333602641
                   +1 :               0.00002111440542
                   +2 :              -0.00000702683796
             10 vec=     7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001552829871
                2s
                   +0 :              -0.00008375098578
                3s
                   +0 :               0.00004215353606
                2p
                   -1 :              -0.00011244905484
                   +0 :              -0.00015900045520
                   +1 :               0.00017019047258
                3p
                   -1 :               0.00014499373834
                   +0 :               0.00016547252292
                   +1 :              -0.00014630743749
                3d
                   -2 :               0.00000674130422
                   -1 :               0.00001472593743
                   +0 :               0.00001573222929
                   +1 :              -0.00001446522379
                   +2 :              -0.00000756261194
             11 vec=    -7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001035685635
                2s
                   +0 :               0.00006516301127
                3s
                   +0 :              -0.00003972775479
                2p
                   -1 :               0.00007039306582
                   +0 :               0.00003850930589
                   +1 :              -0.00013744638782
                3p
                   -1 :              -0.00006433699489
                   +0 :              -0.00000542669036
                   +1 :               0.00011065500831
                3d
                   -2 :               0.00000206292876
                   -1 :               0.00000328163092
                   +0 :              -0.00000163596870
                   +1 :              -0.00000574314068
                   +2 :               0.00001272388868
             12 vec=    -7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002628590319
                2s
                   +0 :               0.00018920118893
                3s
                   +0 :              -0.00010524840971
                2p
                   -1 :              -0.00011234325459
                   +0 :               0.00010314079773
                   +1 :              -0.00004959303676
                3p
                   -1 :               0.00009049689085
                   +0 :              -0.00012772969307
                   +1 :               0.00006929869024
                3d
                   -2 :              -0.00000510303081
                   -1 :              -0.00000602706004
                   +0 :              -0.00001915631047
                   +1 :               0.00000058262554
                   +2 :              -0.00000998227183
             13 vec=    -0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000657920471
                2s
                   +0 :              -0.00002885397524
                3s
                   +0 :               0.00000765950998
                2p
                   -1 :               0.00009810728114
                   +0 :               0.00004065773919
                   +1 :              -0.00006173504461
                3p
                   -1 :              -0.00007293623846
                   +0 :              -0.00001889674603
                   +1 :               0.00006572611290
                3d
                   -2 :               0.00000364314106
                   -1 :               0.00000530322355
                   +0 :               0.00000130252426
                   +1 :              -0.00000831960843
                   +2 :               0.00000600797400
             14 vec=    -0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002463977727
                2s
                   +0 :               0.00016289341728
                3s
                   +0 :              -0.00008927655310
                2p
                   -1 :               0.00006594094601
                   +0 :               0.00014571106292
                   +1 :               0.00002351072107
                3p
                   -1 :              -0.00004256147388
                   +0 :              -0.00010097336179
                   +1 :              -0.00000610921588
                3d
                   -2 :               0.00000136208321
                   -1 :              -0.00000322846538
                   +0 :              -0.00000784412949
                   +1 :              -0.00000728027875
                   +2 :              -0.00000541758877
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 24)  npairs=  14
              1 vec=    -2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00004585951357
                2s
                   +0 :              -0.00025277650599
                3s
                   +0 :               0.00018077426347
                2p
                   -1 :              -0.00002977575978
                   +0 :               0.00022108868438
                   +1 :               0.00005190008352
                3p
                   -1 :              -0.00006298935579
                   +0 :              -0.00030414275358
                   +1 :               0.00000682132526
                3d
                   -2 :               0.00002506311720
                   -1 :               0.00002740402478
                   +0 :               0.00005305674947
                   +1 :              -0.00001959588762
                   +2 :              -0.00000995923094
              2 vec=    -2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004523106857
                2s
                   +0 :               0.00015942512494
                3s
                   +0 :              -0.00014744821958
                2p
                   -1 :              -0.00009278785025
                   +0 :               0.00020741208588
                   +1 :              -0.00001318518680
                3p
                   -1 :              -0.00003550172799
                   +0 :              -0.00019999172888
                   +1 :              -0.00012209188306
                3d
                   -2 :              -0.00000202886341
                   -1 :              -0.00000756880653
                   +0 :              -0.00002460692980
                   +1 :              -0.00002250982427
                   +2 :               0.00000573486364
              3 vec=     5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000896834428
                2s
                   +0 :               0.00020634986573
                3s
                   +0 :               0.00004337468338
                2p
                   -1 :               0.00013585171568
                   +0 :               0.00013909056459
                   +1 :              -0.00018471423792
                3p
                   -1 :               0.00001997168999
                   +0 :              -0.00017232384123
                   +1 :               0.00003234599307
                3d
                   -2 :              -0.00001388671827
                   -1 :              -0.00000841311170
                   +0 :               0.00004006513309
                   +1 :               0.00002304972226
                   +2 :               0.00001600840269
              4 vec=     5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00002990391750
                2s
                   +0 :               0.00029368136594
                3s
                   +0 :               0.00004254068409
                2p
                   -1 :               0.00014889780689
                   +0 :              -0.00011688403182
                   +1 :               0.00011405120454
                3p
                   -1 :               0.00005996811397
                   +0 :               0.00027128881617
                   +1 :              -0.00017634143120
                3d
                   -2 :              -0.00000552111698
                   -1 :               0.00001488602739
                   +0 :               0.00004441293467
                   +1 :               0.00000805856403
                   +2 :              -0.00000261682608
              5 vec=     5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000763117586
                2s
                   +0 :               0.00022824862179
                3s
                   +0 :               0.00004156078072
                2p
                   -1 :               0.00013765217014
                   +0 :              -0.00000169040896
                   +1 :               0.00010471284103
                3p
                   -1 :              -0.00013889110273
                   +0 :              -0.00018728599607
                   +1 :              -0.00002768707822
                3d
                   -2 :               0.00000045153024
                   -1 :               0.00000686810218
                   +0 :               0.00001571404049
                   +1 :              -0.00002161747118
                   +2 :               0.00000323541639
              6 vec=     5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000387601116
                2s
                   +0 :               0.00019781967283
                3s
                   +0 :               0.00004680598419
                2p
                   -1 :              -0.00006572455448
                   +0 :               0.00014693480058
                   +1 :               0.00021671528764
                3p
                   -1 :               0.00006071934529
                   +0 :               0.00012865892662
                   +1 :              -0.00001239594952
                3d
                   -2 :              -0.00000566496341
                   -1 :               0.00000288760144
                   +0 :               0.00000995704195
                   +1 :               0.00002576715700
                   +2 :              -0.00000348836653
              7 vec=    -2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00004114007703
                2s
                   +0 :               0.00038419415494
                3s
                   +0 :              -0.00010798622421
                2p
                   -1 :               0.00006043873054
                   +0 :              -0.00022688224993
                   +1 :              -0.00003400419727
                3p
                   -1 :               0.00001837047186
                   +0 :               0.00004805264359
                   +1 :              -0.00001563765021
                3d
                   -2 :              -0.00001971131571
                   -1 :              -0.00000534557594
                   +0 :              -0.00001558117197
                   +1 :              -0.00000455326492
                   +2 :               0.00001304671439
              8 vec=    -2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001174425913
                2s
                   +0 :               0.00010153247738
                3s
                   +0 :               0.00000797539147
                2p
                   -1 :               0.00010037541047
                   +0 :               0.00003139613083
                   +1 :               0.00010016325794
                3p
                   -1 :              -0.00004340740509
                   +0 :               0.00002572068288
                   +1 :              -0.00010506511954
                3d
                   -2 :              -0.00000935489806
                   -1 :               0.00000121933916
                   +0 :               0.00000996641431
                   +1 :               0.00000683155924
                   +2 :              -0.00001202367954
              9 vec=    -2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001061702161
                2s
                   +0 :              -0.00011170101190
                3s
                   +0 :               0.00002924901254
                2p
                   -1 :               0.00002380550857
                   +0 :               0.00006798418194
                   +1 :              -0.00002327150647
                3p
                   -1 :               0.00002447661202
                   +0 :              -0.00001828218353
                   +1 :               0.00001615726989
                3d
                   -2 :              -0.00000540402467
                   -1 :               0.00000409347267
                   +0 :               0.00000502947548
                   +1 :               0.00000264406578
                   +2 :               0.00000066342633
             10 vec=    -2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000668294218
                2s
                   +0 :              -0.00003983120633
                3s
                   +0 :               0.00004424918369
                2p
                   -1 :              -0.00011237019099
                   +0 :              -0.00011125698429
                   +1 :              -0.00004633626500
                3p
                   -1 :               0.00009867611102
                   +0 :               0.00008243107039
                   +1 :               0.00000113610766
                3d
                   -2 :               0.00000130864689
                   -1 :              -0.00000027438859
                   +0 :              -0.00000088947450
                   +1 :               0.00000005190303
                   +2 :               0.00000576615931
             11 vec=   -10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002961974286
                2s
                   +0 :               0.00022703173739
                3s
                   +0 :              -0.00009446858320
                2p
                   -1 :              -0.00008650844829
                   +0 :              -0.00017068313598
                   +1 :              -0.00015147801046
                3p
                   -1 :               0.00013122129602
                   +0 :               0.00018458281272
                   +1 :               0.00009917803431
                3d
                   -2 :              -0.00001411504934
                   -1 :              -0.00001264861091
                   +0 :              -0.00003085883677
                   +1 :              -0.00000103804367
                   +2 :              -0.00000741719243
             12 vec=   -10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000659794142
                2s
                   +0 :              -0.00004012985304
                3s
                   +0 :              -0.00000520138233
                2p
                   -1 :               0.00007559721133
                   +0 :               0.00003056283137
                   +1 :              -0.00007293216609
                3p
                   -1 :              -0.00011556460887
                   +0 :              -0.00006551317276
                   +1 :               0.00006188813297
                3d
                   -2 :              -0.00000617325252
                   -1 :              -0.00000272935894
                   +0 :              -0.00000735978478
                   +1 :               0.00000512213097
                   +2 :              -0.00000580223399
             13 vec=   -10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000530067667
                2s
                   +0 :              -0.00012490855237
                3s
                   +0 :              -0.00001227664652
                2p
                   -1 :              -0.00003996377233
                   +0 :               0.00001591185647
                   +1 :               0.00015448476456
                3p
                   -1 :               0.00000852377819
                   +0 :               0.00004555389380
                   +1 :              -0.00004976377056
                3d
                   -2 :               0.00000799394474
                   -1 :               0.00000060673810
                   +0 :              -0.00000571973038
                   +1 :               0.00000046811921
                   +2 :              -0.00000511379521
             14 vec=   -10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001534645984
                2s
                   +0 :              -0.00013293275201
                3s
                   +0 :               0.00000602345407
                2p
                   -1 :               0.00007818790494
                   +0 :              -0.00004979629883
                   +1 :               0.00001492321080
                3p
                   -1 :              -0.00003715171903
                   +0 :              -0.00003327102030
                   +1 :               0.00008001235922
                3d
                   -2 :               0.00000193950683
                   -1 :              -0.00000388307283
                   +0 :               0.00000180893044
                   +1 :               0.00000567029727
                   +2 :              -0.00001426046746
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 25)  npairs=  15
              1 vec=     5.186256      0.000299      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00013370765337
                2s
                   +0 :               0.00116311232625
                3s
                   +0 :               0.00005930979573
                2p
                   -1 :               0.00104850785525
                   +0 :               0.00184394179556
                   +1 :              -0.00138808501713
                3p
                   -1 :               0.00013522939204
                   +0 :              -0.00042252663184
                   +1 :               0.00171775379172
                3d
                   -2 :               0.00003838199416
                   -1 :               0.00017819752301
                   +0 :              -0.00005743522694
                   +1 :               0.00017596517442
                   +2 :               0.00010715546944
              2 vec=    -2.593906     -4.491580      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00017812051159
                2s
                   +0 :              -0.00208614773206
                3s
                   +0 :              -0.00004119638990
                2p
                   -1 :               0.00137871045373
                   +0 :              -0.00302411123426
                   +1 :               0.00022086364901
                3p
                   -1 :               0.00048870790729
                   +0 :               0.00008967218353
                   +1 :              -0.00012823836517
                3d
                   -2 :               0.00000209614827
                   -1 :               0.00020552925015
                   +0 :              -0.00008003043066
                   +1 :               0.00009865525815
                   +2 :               0.00007952999142
              3 vec=    -2.593906      4.492178      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00016837081960
                2s
                   +0 :               0.00117144749322
                3s
                   +0 :              -0.00035819840178
                2p
                   -1 :              -0.00013602962087
                   +0 :               0.00115288830120
                   +1 :              -0.00296129345600
                3p
                   -1 :               0.00044582492947
                   +0 :              -0.00064336728792
                   +1 :               0.00214128106671
                3d
                   -2 :              -0.00000121487957
                   -1 :              -0.00001560922523
                   +0 :               0.00007682801437
                   +1 :               0.00015708417498
                   +2 :              -0.00001006421053
              4 vec=     5.186256     -8.983459      8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00001565660108
                2s
                   +0 :               0.00023272451933
                3s
                   +0 :               0.00007023486660
                2p
                   -1 :              -0.00036098847441
                   +0 :               0.00026615708594
                   +1 :               0.00025814816753
                3p
                   -1 :               0.00010981581341
                   +0 :              -0.00029599157950
                   +1 :              -0.00019015810022
                3d
                   -2 :              -0.00001409082407
                   -1 :               0.00000946702808
                   +0 :              -0.00001863019403
                   +1 :              -0.00002272412509
                   +2 :              -0.00000989573776
              5 vec=     5.186256      8.984057      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001057802916
                2s
                   +0 :               0.00008040190161
                3s
                   +0 :              -0.00005607835460
                2p
                   -1 :               0.00036482972328
                   +0 :              -0.00006840326026
                   +1 :              -0.00015346616281
                3p
                   -1 :              -0.00033528656127
                   +0 :               0.00011471114926
                   +1 :               0.00010446588646
                3d
                   -2 :              -0.00003426160903
                   -1 :               0.00000041018778
                   +0 :               0.00001329128246
                   +1 :              -0.00000384050213
                   +2 :               0.00000065717093
              6 vec=   -10.374069      0.000299      8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00000329852402
                2s
                   +0 :              -0.00050004847642
                3s
                   +0 :              -0.00000607186835
                2p
                   -1 :              -0.00056203649309
                   +0 :              -0.00005384079163
                   +1 :               0.00043201576322
                3p
                   -1 :               0.00036856456296
                   +0 :              -0.00017497022394
                   +1 :              -0.00016997528770
                3d
                   -2 :               0.00000983617653
                   -1 :              -0.00001225952769
                   +0 :              -0.00004829311885
                   +1 :               0.00000843098093
                   +2 :               0.00002500208410
              7 vec=    12.966419     -4.491580      8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00000885374988
                2s
                   +0 :               0.00001403523048
                3s
                   +0 :               0.00004809538230
                2p
                   -1 :              -0.00006000542005
                   +0 :               0.00003231403879
                   +1 :               0.00005959349996
                3p
                   -1 :               0.00002992738809
                   +0 :               0.00003813658666
                   +1 :              -0.00000538588412
                3d
                   -2 :               0.00000794736481
                   -1 :               0.00000586129134
                   +0 :               0.00000179664219
                   +1 :               0.00000798538550
                   +2 :               0.00000518829099
              8 vec=    12.966419      4.492178      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00000139098587
                2s
                   +0 :               0.00004860177032
                3s
                   +0 :               0.00000856586910
                2p
                   -1 :               0.00012136528295
                   +0 :               0.00011844652291
                   +1 :              -0.00012297451417
                3p
                   -1 :              -0.00007278780423
                   +0 :              -0.00005155791962
                   +1 :               0.00014898664097
                3d
                   -2 :              -0.00001006883681
                   -1 :               0.00000378252471
                   +0 :              -0.00000374278156
                   +1 :              -0.00000209955924
                   +2 :               0.00000846372566
              9 vec=    -2.593906    -13.475338      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00001716843562
                2s
                   +0 :              -0.00008081814771
                3s
                   +0 :               0.00005584858864
                2p
                   -1 :               0.00002268759668
                   +0 :              -0.00001574319221
                   +1 :              -0.00007098445254
                3p
                   -1 :              -0.00002482985276
                   +0 :               0.00001613454140
                   +1 :               0.00001436187520
                3d
                   -2 :              -0.00000231734298
                   -1 :               0.00000578392320
                   +0 :               0.00000984611164
                   +1 :              -0.00000848376146
                   +2 :              -0.00000621439825
             10 vec=   -10.374069     -8.983459      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001833919584
                2s
                   +0 :              -0.00010760865167
                3s
                   +0 :              -0.00000419184348
                2p
                   -1 :               0.00006796801688
                   +0 :               0.00000749023966
                   +1 :               0.00031053720549
                3p
                   -1 :              -0.00002284411638
                   +0 :              -0.00003757804883
                   +1 :              -0.00022172266230
                3d
                   -2 :               0.00001022057635
                   -1 :               0.00000427973976
                   +0 :              -0.00001260870309
                   +1 :               0.00000401731328
                   +2 :              -0.00000265669723
             11 vec=    -2.593906     13.475936      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00001812106226
                2s
                   +0 :               0.00008021997689
                3s
                   +0 :              -0.00005286372384
                2p
                   -1 :               0.00010279057947
                   +0 :              -0.00007665972909
                   +1 :              -0.00022878624351
                3p
                   -1 :              -0.00010287390904
                   +0 :               0.00001026379375
                   +1 :               0.00017873129447
                3d
                   -2 :               0.00000736904565
                   -1 :               0.00000117440845
                   +0 :              -0.00000326954278
                   +1 :              -0.00000626977328
                   +2 :              -0.00000551793112
             12 vec=   -10.374069      8.984057      8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00003084125486
                2s
                   +0 :               0.00016354437971
                3s
                   +0 :              -0.00011511479482
                2p
                   -1 :               0.00007857531783
                   +0 :              -0.00020809201647
                   +1 :               0.00002094560542
                3p
                   -1 :              -0.00008116337962
                   +0 :               0.00015095059598
                   +1 :               0.00002059980947
                3d
                   -2 :               0.00001232077321
                   -1 :              -0.00001008228833
                   +0 :               0.00002067993383
                   +1 :              -0.00000380436818
                   +2 :               0.00001028085651
             13 vec=     5.186256      0.000299    -16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000928426174
                2s
                   +0 :               0.00012043842515
                3s
                   +0 :              -0.00001077137520
                2p
                   -1 :              -0.00003212879930
                   +0 :              -0.00005720667974
                   +1 :               0.00003680695616
                3p
                   -1 :               0.00005362218398
                   +0 :              -0.00002629443093
                   +1 :              -0.00002922948942
                3d
                   -2 :               0.00000223629720
                   -1 :              -0.00000539294383
                   +0 :               0.00000348632958
                   +1 :              -0.00000066153292
                   +2 :              -0.00000025538866
             14 vec=    -2.593906     -4.491580    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000522008545
                2s
                   +0 :               0.00001609962468
                3s
                   +0 :              -0.00001611077097
                2p
                   -1 :              -0.00002483718107
                   +0 :              -0.00002124729045
                   +1 :               0.00000741103244
                3p
                   -1 :              -0.00001182607349
                   +0 :               0.00000432254373
                   +1 :              -0.00003282348677
                3d
                   -2 :               0.00000245720720
                   -1 :               0.00000383485024
                   +0 :               0.00000094515775
                   +1 :               0.00000205369806
                   +2 :              -0.00000007472164
             15 vec=    -2.593906      4.492178    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001420479037
                2s
                   +0 :              -0.00012839337436
                3s
                   +0 :               0.00002985982249
                2p
                   -1 :              -0.00003257933604
                   +0 :               0.00007990881295
                   +1 :              -0.00007893438394
                3p
                   -1 :               0.00000785768170
                   +0 :              -0.00001715878188
                   +1 :               0.00004155632524
                3d
                   -2 :              -0.00000276302679
                   -1 :               0.00000330561995
                   +0 :              -0.00000821587319
                   +1 :               0.00000017084313
                   +2 :               0.00000149674278
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 26)  npairs=  14
              1 vec=     0.419091      0.000299      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00000871744385
                2s
                   +0 :               0.00003296110729
                3s
                   +0 :               0.00016356545307
                2p
                   -1 :               0.00214734526220
                   +0 :               0.00146437764598
                   +1 :              -0.00084790219241
                3p
                   -1 :              -0.00191488048036
                   +0 :              -0.00101166335107
                   +1 :              -0.00044994099026
                3d
                   -2 :              -0.00000939092917
                   -1 :              -0.00015098269227
                   +0 :              -0.00017346802707
                   +1 :              -0.00001492172676
                   +2 :               0.00003675387106
              2 vec=    -7.361071     -4.491580      8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00006800122258
                2s
                   +0 :              -0.00008987776934
                3s
                   +0 :              -0.00038309240592
                2p
                   -1 :               0.00018254382179
                   +0 :              -0.00036598193912
                   +1 :              -0.00055332811006
                3p
                   -1 :               0.00018953356718
                   +0 :              -0.00026695158183
                   +1 :               0.00048873528444
                3d
                   -2 :              -0.00000885156695
                   -1 :               0.00005805859516
                   +0 :               0.00000903513994
                   +1 :               0.00000002744658
                   +2 :               0.00002776914670
              3 vec=    -7.361071      4.492178      8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00010076285943
                2s
                   +0 :               0.00065175890949
                3s
                   +0 :              -0.00029487156504
                2p
                   -1 :              -0.00076259467184
                   +0 :               0.00059259172116
                   +1 :               0.00083446103972
                3p
                   -1 :               0.00065446958454
                   +0 :              -0.00040564173608
                   +1 :              -0.00092493711812
                3d
                   -2 :              -0.00007195356226
                   -1 :               0.00007665696798
                   +0 :              -0.00002801850900
                   +1 :              -0.00002782164891
                   +2 :               0.00004816330069
              4 vec=     0.419091     -8.983459      8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00006035818297
                2s
                   +0 :              -0.00035253556846
                3s
                   +0 :               0.00029398378084
                2p
                   -1 :               0.00033678592207
                   +0 :              -0.00029333369373
                   +1 :              -0.00050468951222
                3p
                   -1 :              -0.00040978680224
                   +0 :               0.00025710261595
                   +1 :               0.00016818404637
                3d
                   -2 :               0.00003397659997
                   -1 :              -0.00006744286916
                   +0 :               0.00001349634017
                   +1 :               0.00000833892751
                   +2 :              -0.00005565549265
              5 vec=     0.419091      8.984057      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00000345876333
                2s
                   +0 :               0.00004610019729
                3s
                   +0 :              -0.00009629458808
                2p
                   -1 :              -0.00024593205408
                   +0 :               0.00002885394947
                   +1 :               0.00026750405973
                3p
                   -1 :               0.00026433039934
                   +0 :              -0.00000990008069
                   +1 :              -0.00057062346514
                3d
                   -2 :              -0.00008030183199
                   -1 :              -0.00001154572597
                   +0 :               0.00000763830079
                   +1 :              -0.00002279101890
                   +2 :               0.00004599719939
              6 vec=     8.199254     -4.491580      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00007276344355
                2s
                   +0 :               0.00086330264422
                3s
                   +0 :              -0.00013637032902
                2p
                   -1 :              -0.00050492410506
                   +0 :               0.00030885489331
                   +1 :               0.00063946841194
                3p
                   -1 :               0.00020431152529
                   +0 :               0.00019416632453
                   +1 :              -0.00034323450459
                3d
                   -2 :               0.00002687971721
                   -1 :              -0.00005769128518
                   +0 :               0.00003755442932
                   +1 :               0.00000426824666
                   +2 :              -0.00001255623272
              7 vec=     8.199254      4.492178      8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00000943334013
                2s
                   +0 :               0.00010273461486
                3s
                   +0 :               0.00002600696041
                2p
                   -1 :               0.00083158656942
                   +0 :               0.00077897954911
                   +1 :               0.00051013170159
                3p
                   -1 :              -0.00058838683517
                   +0 :              -0.00060620684248
                   +1 :              -0.00035283344311
                3d
                   -2 :              -0.00002203360966
                   -1 :              -0.00004682339899
                   +0 :              -0.00001304328876
                   +1 :              -0.00002659865105
                   +2 :               0.00001095201273
              8 vec=     0.419091      0.000299    -16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00000347225904
                2s
                   +0 :              -0.00003692418350
                3s
                   +0 :               0.00001919121305
                2p
                   -1 :               0.00002261499576
                   +0 :               0.00004868832745
                   +1 :               0.00003266901615
                3p
                   -1 :              -0.00002161400050
                   +0 :              -0.00004664165979
                   +1 :              -0.00004383372624
                3d
                   -2 :               0.00000064870386
                   -1 :               0.00000291408390
                   +0 :               0.00000260719203
                   +1 :               0.00000504468926
                   +2 :              -0.00000166453279
              9 vec=   -15.141234      0.000299      8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00000693239516
                2s
                   +0 :              -0.00009798395866
                3s
                   +0 :              -0.00002160813730
                2p
                   -1 :              -0.00011353427702
                   +0 :              -0.00010798184923
                   +1 :               0.00008576521938
                3p
                   -1 :               0.00005925990681
                   +0 :               0.00004297515168
                   +1 :               0.00002886137817
                3d
                   -2 :              -0.00000170788671
                   -1 :               0.00000139930875
                   +0 :               0.00000456161703
                   +1 :               0.00000082499933
                   +2 :              -0.00000843486015
             10 vec=    -7.361071    -13.475338      8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00002189043910
                2s
                   +0 :              -0.00016519630670
                3s
                   +0 :               0.00006135418693
                2p
                   -1 :               0.00016298655084
                   +0 :              -0.00007051586740
                   +1 :               0.00004647687930
                3p
                   -1 :              -0.00008465160260
                   +0 :               0.00003347773166
                   +1 :              -0.00004167683806
                3d
                   -2 :               0.00000257968826
                   -1 :              -0.00000319211258
                   +0 :              -0.00000021299201
                   +1 :              -0.00000510699935
                   +2 :              -0.00000301210608
             11 vec=    -7.361071     13.475936      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000248966595
                2s
                   +0 :              -0.00000780074888
                3s
                   +0 :              -0.00001357543524
                2p
                   -1 :               0.00008507851822
                   +0 :              -0.00001568640810
                   +1 :               0.00004953862219
                3p
                   -1 :              -0.00010856415724
                   +0 :              -0.00001240859211
                   +1 :              -0.00003147971328
                3d
                   -2 :               0.00000212776358
                   -1 :               0.00000043081390
                   +0 :               0.00000312433892
                   +1 :               0.00000287777950
                   +2 :               0.00000245979364
             12 vec=     8.199254    -13.475338      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000208606096
                2s
                   +0 :               0.00003933420008
                3s
                   +0 :               0.00001607258301
                2p
                   -1 :               0.00004966235453
                   +0 :               0.00003786129714
                   +1 :               0.00005510016323
                3p
                   -1 :              -0.00009537389617
                   +0 :              -0.00000484062722
                   +1 :              -0.00003922320973
                3d
                   -2 :              -0.00000229053799
                   -1 :              -0.00000575090557
                   +0 :               0.00000617077260
                   +1 :              -0.00000264834008
                   +2 :              -0.00000472470431
             13 vec=     8.199254     13.475936      8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00001057178750
                2s
                   +0 :              -0.00005745300542
                3s
                   +0 :               0.00004961342122
                2p
                   -1 :              -0.00000515089253
                   +0 :               0.00001914331316
                   +1 :               0.00001897452056
                3p
                   -1 :               0.00001551892265
                   +0 :               0.00000370539279
                   +1 :              -0.00000395351983
                3d
                   -2 :               0.00000451727301
                   -1 :               0.00000278489574
                   +0 :              -0.00000259793068
                   +1 :               0.00000311307410
                   +2 :               0.00000031532931
             14 vec=    15.979417      0.000299      8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00001560904086
                2s
                   +0 :               0.00013295784207
                3s
                   +0 :              -0.00004049973065
                2p
                   -1 :               0.00004876223241
                   +0 :               0.00003412540097
                   +1 :               0.00008705214844
                3p
                   -1 :              -0.00001803660255
                   +0 :              -0.00000620052632
                   +1 :              -0.00001787973227
                3d
                   -2 :               0.00000355673978
                   -1 :               0.00000033072221
                   +0 :               0.00000253263071
                   +1 :              -0.00000334941994
                   +2 :               0.00000006500699
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 27)  npairs=  15
              1 vec=     2.802674      4.128785      8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00033010382026
                2s
                   +0 :              -0.00204112568089
                3s
                   +0 :               0.00095782046797
                2p
                   -1 :              -0.00099453117921
                   +0 :              -0.00124153961911
                   +1 :               0.00048339729732
                3p
                   -1 :               0.00041899193493
                   +0 :               0.00060605375010
                   +1 :              -0.00051989306698
                3d
                   -2 :              -0.00009875078295
                   -1 :              -0.00002409314577
                   +0 :              -0.00007629846271
                   +1 :              -0.00000240560480
                   +2 :              -0.00017079353407
              2 vec=    -4.977489     -0.363094      8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00016573512275
                2s
                   +0 :              -0.00140904220065
                3s
                   +0 :               0.00008440886456
                2p
                   -1 :               0.00079192621796
                   +0 :              -0.00189474031335
                   +1 :              -0.00044298700384
                3p
                   -1 :              -0.00148479137872
                   +0 :               0.00045067283255
                   +1 :               0.00097905789687
                3d
                   -2 :               0.00003877058317
                   -1 :              -0.00017627691057
                   +0 :              -0.00000803443271
                   +1 :               0.00012120556309
                   +2 :              -0.00006354230649
              3 vec=     2.802674     -4.854973      8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00033495427911
                2s
                   +0 :               0.00307713821425
                3s
                   +0 :              -0.00056777710253
                2p
                   -1 :              -0.00281235805911
                   +0 :               0.00206439740827
                   +1 :               0.00061128132651
                3p
                   -1 :               0.00107252714591
                   +0 :              -0.00008027413154
                   +1 :              -0.00069736785507
                3d
                   -2 :               0.00005513702772
                   -1 :              -0.00002667443942
                   +0 :               0.00012889723119
                   +1 :              -0.00010784430353
                   +2 :              -0.00004294008337
              4 vec=    -4.977489      8.620664      8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00007429194049
                2s
                   +0 :              -0.00064843602605
                3s
                   +0 :               0.00026390945197
                2p
                   -1 :               0.00028937840359
                   +0 :              -0.00028342055785
                   +1 :               0.00050508295851
                3p
                   -1 :              -0.00019524049360
                   +0 :               0.00003154876159
                   +1 :              -0.00036545411500
                3d
                   -2 :              -0.00004900382438
                   -1 :              -0.00000214476710
                   +0 :              -0.00003741236187
                   +1 :              -0.00003419858057
                   +2 :              -0.00000681278408
              5 vec=    10.582837     -0.363094      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00006014515164
                2s
                   +0 :               0.00085875184281
                3s
                   +0 :              -0.00018954398175
                2p
                   -1 :              -0.00002793752177
                   +0 :               0.00051561697678
                   +1 :               0.00028778289166
                3p
                   -1 :               0.00009702993970
                   +0 :              -0.00019863726904
                   +1 :              -0.00000188165180
                3d
                   -2 :               0.00004131561227
                   -1 :               0.00000461781253
                   +0 :              -0.00000791213960
                   +1 :              -0.00002148606540
                   +2 :              -0.00000062425936
              6 vec=    -4.977489     -9.346852      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00003317971743
                2s
                   +0 :              -0.00003000616332
                3s
                   +0 :              -0.00008819316715
                2p
                   -1 :              -0.00013824502252
                   +0 :               0.00026692671028
                   +1 :               0.00017114004318
                3p
                   -1 :               0.00030316417284
                   +0 :              -0.00017385616927
                   +1 :              -0.00015791898122
                3d
                   -2 :               0.00000488365994
                   -1 :               0.00001051987584
                   +0 :              -0.00002306663205
                   +1 :              -0.00004153381766
                   +2 :               0.00002848745238
              7 vec=     2.802674     13.112543      8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00002503125950
                2s
                   +0 :              -0.00015805612468
                3s
                   +0 :               0.00010317485167
                2p
                   -1 :              -0.00008543358076
                   +0 :               0.00002049374225
                   +1 :               0.00002809092380
                3p
                   -1 :               0.00005417403456
                   +0 :               0.00003399707222
                   +1 :              -0.00008258161731
                3d
                   -2 :              -0.00000787350854
                   -1 :               0.00000441431401
                   +0 :               0.00000217650696
                   +1 :              -0.00001474079321
                   +2 :              -0.00000234669210
              8 vec=   -12.757651      4.128785      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00001163509345
                2s
                   +0 :              -0.00011686041800
                3s
                   +0 :               0.00000173936128
                2p
                   -1 :              -0.00007357874741
                   +0 :              -0.00008054299729
                   +1 :              -0.00003222472185
                3p
                   -1 :              -0.00000915695758
                   +0 :              -0.00005003835779
                   +1 :               0.00010086153478
                3d
                   -2 :              -0.00001426843888
                   -1 :               0.00001949890902
                   +0 :               0.00000449216429
                   +1 :               0.00001436365672
                   +2 :              -0.00000544318544
              9 vec=    10.582837      8.620664      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00005136502742
                2s
                   +0 :              -0.00030226529314
                3s
                   +0 :               0.00018409897332
                2p
                   -1 :              -0.00010282525875
                   +0 :              -0.00000879722805
                   +1 :              -0.00011053099310
                3p
                   -1 :               0.00011714255060
                   +0 :               0.00000880924376
                   +1 :               0.00011267639616
                3d
                   -2 :               0.00000765962218
                   -1 :              -0.00000595422099
                   +0 :               0.00000148820303
                   +1 :               0.00000324983410
                   +2 :              -0.00000866111115
             10 vec=   -12.757651     -4.854973      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00001364992286
                2s
                   +0 :              -0.00013132507689
                3s
                   +0 :               0.00000842888622
                2p
                   -1 :               0.00023736746989
                   +0 :              -0.00002493984440
                   +1 :               0.00004692564796
                3p
                   -1 :              -0.00016059807047
                   +0 :              -0.00006599580134
                   +1 :              -0.00001313035984
                3d
                   -2 :               0.00001695812923
                   -1 :              -0.00000707725709
                   +0 :              -0.00000527250473
                   +1 :               0.00001444641298
                   +2 :               0.00000488078313
             11 vec=    10.582837     -9.346852      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000545324491
                2s
                   +0 :               0.00007959052454
                3s
                   +0 :               0.00000088229910
                2p
                   -1 :              -0.00008789180095
                   +0 :               0.00011271708732
                   +1 :               0.00004865255268
                3p
                   -1 :               0.00002140704410
                   +0 :              -0.00005901895651
                   +1 :               0.00001676003504
                3d
                   -2 :              -0.00000113251089
                   -1 :               0.00000451107220
                   +0 :              -0.00000916311481
                   +1 :              -0.00000285853152
                   +2 :              -0.00000054618295
             12 vec=     2.802674    -13.838731      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00002831948331
                2s
                   +0 :               0.00017077485054
                3s
                   +0 :              -0.00007293824392
                2p
                   -1 :              -0.00004641532044
                   +0 :               0.00001305490226
                   +1 :               0.00003348702465
                3p
                   -1 :               0.00001460402361
                   +0 :               0.00000849525703
                   +1 :              -0.00004790418059
                3d
                   -2 :               0.00000332513360
                   -1 :               0.00000345871559
                   +0 :               0.00000195380362
                   +1 :              -0.00000067885751
                   +2 :               0.00000293093255
             13 vec=     2.802674      4.128785    -16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00001599640032
                2s
                   +0 :               0.00013397721699
                3s
                   +0 :              -0.00004041237029
                2p
                   -1 :               0.00001359230317
                   +0 :              -0.00006431611076
                   +1 :              -0.00007834921267
                3p
                   -1 :               0.00000551069939
                   +0 :               0.00001340927809
                   +1 :               0.00005132504982
                3d
                   -2 :               0.00000142278189
                   -1 :              -0.00000457145963
                   +0 :               0.00000488953921
                   +1 :              -0.00000298622243
                   +2 :               0.00000172594734
             14 vec=    -4.977489     -0.363094    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00000514575401
                2s
                   +0 :              -0.00006190946886
                3s
                   +0 :               0.00000642554986
                2p
                   -1 :               0.00003868647507
                   +0 :               0.00000543524605
                   +1 :              -0.00001422313423
                3p
                   -1 :              -0.00003938350999
                   +0 :               0.00000722410737
                   +1 :               0.00001998766585
                3d
                   -2 :              -0.00000015979946
                   -1 :               0.00000561132049
                   +0 :               0.00000303075944
                   +1 :              -0.00000029593817
                   +2 :              -0.00000276662861
             15 vec=     2.802674     -4.854973    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000063449387
                2s
                   +0 :              -0.00000316740251
                3s
                   +0 :               0.00000269764141
                2p
                   -1 :              -0.00002048375163
                   +0 :              -0.00002135846253
                   +1 :              -0.00013996898526
                3p
                   -1 :              -0.00000995922972
                   +0 :               0.00004935384308
                   +1 :               0.00005037350540
                3d
                   -2 :               0.00000255796354
                   -1 :               0.00000220673297
                   +0 :              -0.00000385311524
                   +1 :               0.00000448410625
                   +2 :              -0.00000171188140
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 28)  npairs=  14
              1 vec=     0.418573      2.752923     -4.091257   |vec|=    4.948957
                1s
                   +0 :              -0.00072324416209
                2s
                   +0 :               0.01075885927154
                3s
                   +0 :              -0.00201615868423
                2p
                   -1 :               0.00414044793069
                   +0 :              -0.00474009465505
                   +1 :              -0.00723541777337
                3p
                   -1 :              -0.00370109032165
                   +0 :              -0.00167671431833
                   +1 :              -0.00406111220732
                3d
                   -2 :              -0.00125915555892
                   -1 :              -0.00035661971726
                   +0 :               0.00107334785939
                   +1 :               0.00166979500170
                   +2 :              -0.00016102270869
              2 vec=     0.418573     -6.230835     -4.091257   |vec|=    7.465715
                1s
                   +0 :               0.00023029449229
                2s
                   +0 :              -0.00146717492130
                3s
                   +0 :               0.00085645351081
                2p
                   -1 :               0.00009635913559
                   +0 :               0.00080381686769
                   +1 :              -0.00110937639063
                3p
                   -1 :              -0.00005067763757
                   +0 :              -0.00067125618466
                   +1 :               0.00054742406498
                3d
                   -2 :              -0.00006604028656
                   -1 :              -0.00003206759803
                   +0 :              -0.00002975323648
                   +1 :               0.00003103891268
                   +2 :              -0.00002167248234
              3 vec=    -7.361590     -1.738956     -4.091257   |vec|=    8.599730
                1s
                   +0 :               0.00045055232603
                2s
                   +0 :              -0.00196574976295
                3s
                   +0 :               0.00074698702990
                2p
                   -1 :               0.00109488333420
                   +0 :              -0.00003583940056
                   +1 :               0.00217670751289
                3p
                   -1 :              -0.00045550474879
                   +0 :               0.00153152193230
                   +1 :              -0.00121368405955
                3d
                   -2 :               0.00010768390357
                   -1 :              -0.00006831308487
                   +0 :              -0.00029152822133
                   +1 :               0.00010751373519
                   +2 :               0.00012129316654
              4 vec=     8.198735     -1.738956     -4.091257   |vec|=    9.326393
                1s
                   +0 :              -0.00072429593142
                2s
                   +0 :               0.00435266177269
                3s
                   +0 :              -0.00158757891853
                2p
                   -1 :              -0.00122211111459
                   +0 :              -0.00199778238314
                   +1 :               0.00126745985676
                3p
                   -1 :               0.00068003841310
                   +0 :               0.00017377439066
                   +1 :              -0.00033979613259
                3d
                   -2 :               0.00012692129559
                   -1 :               0.00011795253487
                   +0 :               0.00017723652155
                   +1 :               0.00009847208316
                   +2 :              -0.00011238886235
              5 vec=    -7.361590      7.244802     -4.091257   |vec|=   11.109390
                1s
                   +0 :              -0.00002898141537
                2s
                   +0 :              -0.00037426092233
                3s
                   +0 :               0.00002674002627
                2p
                   -1 :              -0.00180964613784
                   +0 :               0.00063487025638
                   +1 :               0.00080624204974
                3p
                   -1 :               0.00136546395834
                   +0 :              -0.00026490029465
                   +1 :              -0.00062125084465
                3d
                   -2 :              -0.00014512503236
                   -1 :               0.00003452887526
                   +0 :              -0.00020284391325
                   +1 :              -0.00000850281518
                   +2 :              -0.00001102776874
              6 vec=     8.198735      7.244802     -4.091257   |vec|=   11.680959
                1s
                   +0 :               0.00001213603725
                2s
                   +0 :               0.00012471664411
                3s
                   +0 :               0.00007153344554
                2p
                   -1 :               0.00031656081734
                   +0 :               0.00017550821637
                   +1 :              -0.00024119099552
                3p
                   -1 :              -0.00016599626307
                   +0 :              -0.00017305098337
                   +1 :               0.00038458979564
                3d
                   -2 :               0.00013841600659
                   -1 :              -0.00008335662300
                   +0 :              -0.00007709766569
                   +1 :               0.00003004894285
                   +2 :              -0.00000916411082
              7 vec=     0.418573     11.736681     -4.091257   |vec|=   12.436369
                1s
                   +0 :              -0.00002441964887
                2s
                   +0 :               0.00008863003645
                3s
                   +0 :              -0.00015497814732
                2p
                   -1 :               0.00049944521465
                   +0 :               0.00026584218267
                   +1 :              -0.00034881803926
                3p
                   -1 :              -0.00048050819881
                   +0 :               0.00001059826344
                   +1 :               0.00039418699624
                3d
                   -2 :               0.00004413577782
                   -1 :               0.00002249451379
                   +0 :               0.00001599219497
                   +1 :               0.00000508811874
                   +2 :               0.00000722904706
              8 vec=    -7.361590    -10.722714     -4.091257   |vec|=   13.634808
                1s
                   +0 :               0.00002565247908
                2s
                   +0 :              -0.00043541077005
                3s
                   +0 :              -0.00003448450162
                2p
                   -1 :               0.00028992956789
                   +0 :              -0.00000799218992
                   +1 :               0.00005022457369
                3p
                   -1 :               0.00001797910773
                   +0 :               0.00021800484612
                   +1 :               0.00008249324479
                3d
                   -2 :              -0.00002579168465
                   -1 :              -0.00002041469321
                   +0 :               0.00001191732236
                   +1 :              -0.00000135196265
                   +2 :               0.00002350926898
              9 vec=     8.198735    -10.722714     -4.091257   |vec|=   14.104405
                1s
                   +0 :              -0.00006969495237
                2s
                   +0 :               0.00061722525944
                3s
                   +0 :              -0.00015347331420
                2p
                   -1 :              -0.00005911930777
                   +0 :              -0.00006386670759
                   +1 :               0.00012445959466
                3p
                   -1 :              -0.00008397350976
                   +0 :              -0.00004689948476
                   +1 :               0.00000741633486
                3d
                   -2 :              -0.00000149687063
                   -1 :               0.00000562529617
                   +0 :               0.00000228685439
                   +1 :               0.00000207735864
                   +2 :              -0.00000941765995
             10 vec=     0.418573    -15.214593     -4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000580951284
                2s
                   +0 :               0.00003899837293
                3s
                   +0 :              -0.00002039175355
                2p
                   -1 :               0.00002620583034
                   +0 :              -0.00008932128408
                   +1 :              -0.00005006310329
                3p
                   -1 :              -0.00001109298916
                   +0 :               0.00007224836691
                   +1 :               0.00000586584575
                3d
                   -2 :               0.00000340757160
                   -1 :               0.00000048696142
                   +0 :              -0.00000140047338
                   +1 :              -0.00000366461648
                   +2 :              -0.00000722365996
             11 vec=   -15.141753      2.752923     -4.091257   |vec|=   15.924498
                1s
                   +0 :               0.00009238913436
                2s
                   +0 :              -0.00063729874479
                3s
                   +0 :               0.00027763091772
                2p
                   -1 :              -0.00021531571256
                   +0 :               0.00011433123904
                   +1 :               0.00045791958132
                3p
                   -1 :               0.00017352659941
                   +0 :              -0.00006872396590
                   +1 :              -0.00023200376584
                3d
                   -2 :              -0.00001505380685
                   -1 :              -0.00000736381107
                   +0 :               0.00001810583133
                   +1 :               0.00000195340316
                   +2 :              -0.00000068166472
             12 vec=    15.978898      2.752923     -4.091257   |vec|=   16.722504
                1s
                   +0 :              -0.00001930980414
                2s
                   +0 :               0.00015604617229
                3s
                   +0 :              -0.00005382698008
                2p
                   -1 :              -0.00011965767683
                   +0 :              -0.00007060773090
                   +1 :               0.00044481537379
                3p
                   -1 :               0.00013514133305
                   +0 :               0.00004532263856
                   +1 :              -0.00036405401211
                3d
                   -2 :               0.00000242822798
                   -1 :              -0.00000922515705
                   +0 :               0.00000899324726
                   +1 :               0.00001074824484
                   +2 :              -0.00002284449751
             13 vec=   -15.141753     -6.230835     -4.091257   |vec|=   16.877036
                1s
                   +0 :               0.00003165353014
                2s
                   +0 :              -0.00022197386749
                3s
                   +0 :               0.00008790418602
                2p
                   -1 :              -0.00006868143052
                   +0 :               0.00005370099748
                   +1 :               0.00016419679566
                3p
                   -1 :               0.00007689897774
                   +0 :              -0.00001761784606
                   +1 :              -0.00007193904917
                3d
                   -2 :              -0.00000574117897
                   -1 :               0.00000204054159
                   +0 :               0.00000125883518
                   +1 :               0.00000298195592
                   +2 :               0.00001153816884
             14 vec=    15.978898     -6.230835     -4.091257   |vec|=   17.631984
                1s
                   +0 :              -0.00000870125694
                2s
                   +0 :               0.00005588017404
                3s
                   +0 :              -0.00000722370168
                2p
                   -1 :               0.00001643908150
                   +0 :               0.00000680150528
                   +1 :              -0.00002527226458
                3p
                   -1 :              -0.00004957820129
                   +0 :              -0.00001911042823
                   +1 :               0.00004719557912
                3d
                   -2 :              -0.00000705034001
                   -1 :               0.00000362167391
                   +0 :              -0.00000406404488
                   +1 :               0.00000060237484
                   +2 :              -0.00000636880639
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 29)  npairs=  14
              1 vec=    -2.593388     -1.738956     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00036300992388
                2s
                   +0 :              -0.03005557662140
                3s
                   +0 :              -0.00065302433942
                2p
                   -1 :               0.00296419816958
                   +0 :               0.01964678391368
                   +1 :               0.00505249141531
                3p
                   -1 :               0.00680533598124
                   +0 :              -0.00010784237872
                   +1 :               0.00290103287946
                3d
                   -2 :              -0.00071798394817
                   -1 :              -0.00108247551276
                   +0 :              -0.00078194634173
                   +1 :              -0.00166216075315
                   +2 :               0.00020362997847
              2 vec=     5.186775      2.752923     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00122301232300
                2s
                   +0 :               0.01087771277796
                3s
                   +0 :              -0.00525184426261
                2p
                   -1 :               0.00617675336515
                   +0 :              -0.01171109688334
                   +1 :               0.01407744249339
                3p
                   -1 :              -0.00371851405425
                   +0 :               0.00779061022702
                   +1 :              -0.01141243908001
                3d
                   -2 :              -0.00060434958344
                   -1 :               0.00050786354753
                   +0 :              -0.00039473197791
                   +1 :               0.00104504231513
                   +2 :              -0.00048034958395
              3 vec=    -2.593388      7.244802     -4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00028755542812
                2s
                   +0 :              -0.00173196830572
                3s
                   +0 :               0.00078567346370
                2p
                   -1 :              -0.00064378543713
                   +0 :               0.00199981000377
                   +1 :              -0.00234924560952
                3p
                   -1 :               0.00021771069623
                   +0 :               0.00006239922662
                   +1 :               0.00141083392619
                3d
                   -2 :               0.00010677031431
                   -1 :               0.00011727850147
                   +0 :              -0.00017316990103
                   +1 :               0.00009968658208
                   +2 :               0.00004014597172
              4 vec=     5.186775     -6.230835     -4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00006372634312
                2s
                   +0 :              -0.00055901520186
                3s
                   +0 :               0.00048930914357
                2p
                   -1 :               0.00057186511199
                   +0 :              -0.00076005836433
                   +1 :               0.00178225214505
                3p
                   -1 :              -0.00091518535523
                   +0 :              -0.00011095597887
                   +1 :              -0.00129891784994
                3d
                   -2 :               0.00002986623234
                   -1 :              -0.00005085517354
                   +0 :               0.00005363574192
                   +1 :               0.00003797643531
                   +2 :               0.00000039495289
              5 vec=   -10.373550      2.752923     -4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00016632951825
                2s
                   +0 :               0.00060936303954
                3s
                   +0 :              -0.00075855330869
                2p
                   -1 :              -0.00062531593231
                   +0 :               0.00026106898514
                   +1 :              -0.00108463441246
                3p
                   -1 :               0.00027139792984
                   +0 :               0.00024803898061
                   +1 :               0.00153355780068
                3d
                   -2 :               0.00000615861452
                   -1 :               0.00004696620298
                   +0 :               0.00003316712378
                   +1 :               0.00000245388642
                   +2 :              -0.00009664379798
              6 vec=    -2.593388    -10.722714     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00003190187519
                2s
                   +0 :              -0.00033108865380
                3s
                   +0 :               0.00013487975292
                2p
                   -1 :               0.00046331129501
                   +0 :               0.00005034146042
                   +1 :               0.00013293880189
                3p
                   -1 :              -0.00033299420967
                   +0 :              -0.00003243498053
                   +1 :              -0.00028148506281
                3d
                   -2 :               0.00002210851300
                   -1 :               0.00001078329120
                   +0 :              -0.00000314216568
                   +1 :               0.00001145484453
                   +2 :              -0.00001505014493
              7 vec=   -10.373550     -6.230835     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00002729575392
                2s
                   +0 :              -0.00020063698698
                3s
                   +0 :              -0.00015691887654
                2p
                   -1 :              -0.00059758666960
                   +0 :               0.00000046830701
                   +1 :              -0.00039713523977
                3p
                   -1 :               0.00048671343852
                   +0 :               0.00013104377384
                   +1 :               0.00049165990363
                3d
                   -2 :              -0.00000757655595
                   -1 :               0.00000526263315
                   +0 :               0.00000645517098
                   +1 :              -0.00002524621690
                   +2 :              -0.00001921181815
              8 vec=     5.186775     11.736681     -4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00006482653788
                2s
                   +0 :               0.00048371496349
                3s
                   +0 :              -0.00009887415122
                2p
                   -1 :              -0.00012630844754
                   +0 :               0.00010036002421
                   +1 :               0.00047230522790
                3p
                   -1 :               0.00014179194036
                   +0 :              -0.00026231214962
                   +1 :              -0.00051693959290
                3d
                   -2 :              -0.00004571587182
                   -1 :              -0.00004676616511
                   +0 :               0.00001936575092
                   +1 :              -0.00000920976218
                   +2 :              -0.00005041010629
              9 vec=    12.966938     -1.738956     -4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00010039328787
                2s
                   +0 :              -0.00014717936177
                3s
                   +0 :               0.00036161560640
                2p
                   -1 :               0.00010571687942
                   +0 :               0.00008933093885
                   +1 :               0.00079996930605
                3p
                   -1 :              -0.00013164448499
                   +0 :              -0.00011740337608
                   +1 :              -0.00060027045318
                3d
                   -2 :              -0.00000938011897
                   -1 :              -0.00001568568532
                   +0 :               0.00002494541486
                   +1 :               0.00003477265403
                   +2 :              -0.00001694602378
             10 vec=    12.966938      7.244802     -4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00002658545852
                2s
                   +0 :              -0.00013504954523
                3s
                   +0 :               0.00017325176434
                2p
                   -1 :              -0.00017416569399
                   +0 :              -0.00008988179309
                   +1 :              -0.00010018206457
                3p
                   -1 :               0.00020018414447
                   +0 :               0.00002513976281
                   +1 :               0.00014044572095
                3d
                   -2 :               0.00001648877769
                   -1 :              -0.00000984513969
                   +0 :               0.00001404211790
                   +1 :               0.00000566716296
                   +2 :              -0.00000663069158
             11 vec=   -10.373550     11.736681     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00001626848576
                2s
                   +0 :               0.00004869698704
                3s
                   +0 :              -0.00008885648224
                2p
                   -1 :               0.00008544416621
                   +0 :               0.00012482785558
                   +1 :              -0.00023355273870
                3p
                   -1 :              -0.00016827338165
                   +0 :              -0.00003571538120
                   +1 :               0.00025953243070
                3d
                   -2 :               0.00002591595619
                   -1 :              -0.00000027416499
                   +0 :               0.00001714593717
                   +1 :              -0.00000660714774
                   +2 :               0.00000248921871
             12 vec=     5.186775    -15.214593     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00000004587049
                2s
                   +0 :               0.00001919644594
                3s
                   +0 :              -0.00000332421263
                2p
                   -1 :              -0.00005076481594
                   +0 :               0.00006921900099
                   +1 :              -0.00003134085189
                3p
                   -1 :               0.00001462775940
                   +0 :              -0.00005442890415
                   +1 :               0.00001259294905
                3d
                   -2 :              -0.00000727188708
                   -1 :              -0.00000046985912
                   +0 :               0.00000250982123
                   +1 :              -0.00000049928693
                   +2 :              -0.00000078688386
             13 vec=    -2.593388     16.228560     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00001113039869
                2s
                   +0 :              -0.00006768798354
                3s
                   +0 :               0.00004005816967
                2p
                   -1 :              -0.00009804952756
                   +0 :              -0.00005148588459
                   +1 :               0.00002825010251
                3p
                   -1 :               0.00008253651597
                   +0 :               0.00002688564453
                   +1 :              -0.00003102116951
                3d
                   -2 :              -0.00000766808337
                   -1 :               0.00000012985205
                   +0 :               0.00000009889884
                   +1 :               0.00000374092422
                   +2 :              -0.00000303785598
             14 vec=    12.966938    -10.722714     -4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00001845095733
                2s
                   +0 :               0.00015093748177
                3s
                   +0 :              -0.00005077838808
                2p
                   -1 :               0.00000930998212
                   +0 :              -0.00006185166143
                   +1 :               0.00014461814793
                3p
                   -1 :              -0.00002196090916
                   +0 :               0.00002558107618
                   +1 :              -0.00008572211769
                3d
                   -2 :              -0.00000555354254
                   -1 :               0.00000205004016
                   +0 :               0.00000256801802
                   +1 :               0.00000377811041
                   +2 :               0.00000075868512
WF             site_B          number of pairs
WF( 26)=[O_7_2px]  to site O ( 30)  npairs=  14
              1 vec=     2.802674     -1.376461     -4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00062732543819
                2s
                   +0 :               0.03372007245450
                3s
                   +0 :               0.00020151284950
                2p
                   -1 :              -0.00925927992700
                   +0 :              -0.02146703403669
                   +1 :               0.00558125542449
                3p
                   -1 :              -0.00000269884252
                   +0 :              -0.00186095586636
                   +1 :               0.00155676755300
                3d
                   -2 :              -0.00052036551976
                   -1 :               0.00132119032566
                   +0 :               0.00179658836349
                   +1 :              -0.00154312338197
                   +2 :               0.00007210070764
              2 vec=    -4.977489      3.115418     -4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00174576330522
                2s
                   +0 :              -0.01123950256020
                3s
                   +0 :               0.00578919167869
                2p
                   -1 :              -0.00192843629780
                   +0 :               0.00068990724938
                   +1 :               0.01074394922730
                3p
                   -1 :               0.00045314771961
                   +0 :               0.00021751182461
                   +1 :              -0.00868635451020
                3d
                   -2 :              -0.00039033308657
                   -1 :              -0.00015290044696
                   +0 :              -0.00025595240762
                   +1 :               0.00016798636232
                   +2 :               0.00039984043545
              3 vec=    -4.977489     -5.868340     -4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00010429698825
                2s
                   +0 :              -0.00015399158637
                3s
                   +0 :              -0.00001032600433
                2p
                   -1 :               0.00264659292228
                   +0 :              -0.00217955459684
                   +1 :               0.00171452235816
                3p
                   -1 :              -0.00119733666203
                   +0 :               0.00102756181100
                   +1 :              -0.00094307741062
                3d
                   -2 :               0.00005628777236
                   -1 :              -0.00007422865408
                   +0 :               0.00008291519275
                   +1 :               0.00016091356569
                   +2 :               0.00003419095862
              4 vec=     2.802674      7.607297     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00011886600336
                2s
                   +0 :               0.00045239205313
                3s
                   +0 :              -0.00017905610861
                2p
                   -1 :              -0.00227633612909
                   +0 :              -0.00257282416855
                   +1 :              -0.00280942022382
                3p
                   -1 :               0.00214423954542
                   +0 :               0.00117443240838
                   +1 :               0.00192836536212
                3d
                   -2 :               0.00005636716343
                   -1 :               0.00000797476418
                   +0 :               0.00000028435336
                   +1 :              -0.00010947904142
                   +2 :              -0.00001521612045
              5 vec=     2.802674    -10.360219     -4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00012204741289
                2s
                   +0 :               0.00088008069940
                3s
                   +0 :              -0.00041882170312
                2p
                   -1 :              -0.00074865835841
                   +0 :              -0.00007063386027
                   +1 :              -0.00022046503697
                3p
                   -1 :               0.00051267277887
                   +0 :              -0.00002688375834
                   +1 :               0.00008161216021
                3d
                   -2 :              -0.00000539743752
                   -1 :              -0.00000889768310
                   +0 :              -0.00004612815280
                   +1 :              -0.00000230059860
                   +2 :               0.00002376246125
              6 vec=    10.582837      3.115418     -4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00003106736377
                2s
                   +0 :               0.00035844826184
                3s
                   +0 :              -0.00000116185943
                2p
                   -1 :               0.00061327935775
                   +0 :              -0.00062758724009
                   +1 :              -0.00064799651844
                3p
                   -1 :              -0.00044193808061
                   +0 :               0.00037803688311
                   +1 :               0.00071209475348
                3d
                   -2 :               0.00001923723443
                   -1 :              -0.00002269963601
                   +0 :               0.00003673926682
                   +1 :               0.00005435703264
                   +2 :               0.00011668707980
              7 vec=    10.582837     -5.868340     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00003852337413
                2s
                   +0 :               0.00067717966969
                3s
                   +0 :              -0.00014103369319
                2p
                   -1 :              -0.00017765249568
                   +0 :               0.00037363090395
                   +1 :              -0.00001275484585
                3p
                   -1 :               0.00011979753669
                   +0 :              -0.00031873630931
                   +1 :               0.00005135942389
                3d
                   -2 :               0.00003724076327
                   -1 :               0.00000862748524
                   +0 :               0.00002442303072
                   +1 :              -0.00000310724363
                   +2 :               0.00001962467623
              8 vec=   -12.757651     -1.376461     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00005634436813
                2s
                   +0 :              -0.00094279464480
                3s
                   +0 :               0.00003612994002
                2p
                   -1 :               0.00070958736268
                   +0 :               0.00065539342383
                   +1 :               0.00028411056112
                3p
                   -1 :              -0.00049695697869
                   +0 :              -0.00011290242136
                   +1 :              -0.00013282996357
                3d
                   -2 :               0.00000236390026
                   -1 :              -0.00000528500933
                   +0 :              -0.00003437109616
                   +1 :              -0.00000132815603
                   +2 :              -0.00002225011839
              9 vec=    -4.977489     12.099176     -4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00007447056932
                2s
                   +0 :              -0.00058994711654
                3s
                   +0 :               0.00016751838089
                2p
                   -1 :              -0.00012941201822
                   +0 :               0.00034585515459
                   +1 :               0.00018238520256
                3p
                   -1 :               0.00006607469000
                   +0 :              -0.00008707018364
                   +1 :              -0.00024884728109
                3d
                   -2 :              -0.00002744119176
                   -1 :               0.00000917457367
                   +0 :              -0.00001123698510
                   +1 :               0.00002752709329
                   +2 :              -0.00001731806951
             10 vec=   -12.757651      7.607297     -4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00002856560288
                2s
                   +0 :              -0.00022081706481
                3s
                   +0 :               0.00005435397819
                2p
                   -1 :              -0.00011525902024
                   +0 :               0.00005113558356
                   +1 :               0.00004509408059
                3p
                   -1 :               0.00002957625013
                   +0 :              -0.00000496258595
                   +1 :               0.00002457919303
                3d
                   -2 :               0.00000628144533
                   -1 :              -0.00000519925807
                   +0 :               0.00000162019824
                   +1 :              -0.00000312030258
                   +2 :              -0.00001403652506
             11 vec=    -4.977489    -14.852098     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00001519317718
                2s
                   +0 :               0.00006776898205
                3s
                   +0 :              -0.00006376405174
                2p
                   -1 :              -0.00001136903351
                   +0 :              -0.00000305792950
                   +1 :              -0.00002231406688
                3p
                   -1 :               0.00004772514754
                   +0 :               0.00002579480146
                   +1 :               0.00000008039079
                3d
                   -2 :               0.00000173589383
                   -1 :              -0.00000444976690
                   +0 :              -0.00000050526415
                   +1 :               0.00000324095298
                   +2 :               0.00000005046050
             12 vec=    10.582837     12.099176     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00002821305367
                2s
                   +0 :               0.00019422967163
                3s
                   +0 :              -0.00005884924699
                2p
                   -1 :               0.00010161060112
                   +0 :               0.00011366800513
                   +1 :               0.00009330248734
                3p
                   -1 :              -0.00000955471415
                   +0 :              -0.00014844670036
                   +1 :              -0.00002941632011
                3d
                   -2 :               0.00000525425638
                   -1 :              -0.00000522356749
                   +0 :              -0.00000708312509
                   +1 :              -0.00001097766129
                   +2 :               0.00000780410848
             13 vec=   -12.757651    -10.360219     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00002338471598
                2s
                   +0 :              -0.00016582860018
                3s
                   +0 :               0.00004383874130
                2p
                   -1 :               0.00014945899826
                   +0 :               0.00000375081101
                   +1 :               0.00003655958279
                3p
                   -1 :              -0.00009262067987
                   +0 :               0.00001640729259
                   +1 :               0.00000895790991
                3d
                   -2 :              -0.00000428388478
                   -1 :               0.00000332439185
                   +0 :              -0.00000613968155
                   +1 :               0.00000379258916
                   +2 :              -0.00001039311317
             14 vec=     2.802674     16.591055     -4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00001678331028
                2s
                   +0 :               0.00008516260291
                3s
                   +0 :              -0.00005219802988
                2p
                   -1 :              -0.00000095165895
                   +0 :               0.00001308921024
                   +1 :              -0.00001617935282
                3p
                   -1 :              -0.00000230292158
                   +0 :              -0.00000770145529
                   +1 :               0.00002687433573
                3d
                   -2 :               0.00001025416275
                   -1 :              -0.00000118336065
                   +0 :               0.00000041246980
                   +1 :              -0.00000317434061
                   +2 :               0.00000273714243
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al(  1)  npairs=  14
              1 vec=    -2.802674      1.376461     -5.671791   |vec|=    6.474477
                2s
                   +0 :              -0.00137099862321
                2p
                   -1 :               0.00056494989641
                   +0 :               0.00123622045006
                   +1 :               0.00066553671733
                3s
                   +0 :               0.00419577854374
                4s
                   +0 :              -0.00363039030423
                3p
                   -1 :              -0.00254075630863
                   +0 :              -0.00929403285986
                   +1 :              -0.00389582433429
                4p
                   -1 :               0.00009434967391
                   +0 :               0.00384034894761
                   +1 :               0.00148389715593
                3d
                   -2 :              -0.00159658467820
                   -1 :              -0.00234654174318
                   +0 :               0.00193413807180
                   +1 :              -0.00008547000353
                   +2 :               0.00001126626978
              2 vec=     4.977489     -3.115418     -5.671791   |vec|=    8.163972
                2s
                   +0 :              -0.00055629856995
                2p
                   -1 :              -0.00068165219553
                   +0 :               0.00024030900904
                   +1 :              -0.00041331214858
                3s
                   +0 :              -0.00283223963882
                4s
                   +0 :               0.00066168737472
                3p
                   -1 :               0.00621900362023
                   +0 :              -0.00259782602828
                   +1 :              -0.00003105472564
                4p
                   -1 :              -0.00115187950391
                   +0 :               0.00035584665402
                   +1 :              -0.00048196454518
                3d
                   -2 :               0.00164882502603
                   -1 :              -0.00036307075020
                   +0 :               0.00144153608341
                   +1 :              -0.00131848159305
                   +2 :               0.00029671158709
              3 vec=     4.977489      5.868340     -5.671791   |vec|=    9.559395
                2s
                   +0 :               0.00075246675734
                2p
                   -1 :               0.00070597146169
                   +0 :              -0.00053468189179
                   +1 :              -0.00050575597314
                3s
                   +0 :              -0.00173009318905
                4s
                   +0 :               0.00048564358529
                3p
                   -1 :              -0.00334302786572
                   +0 :               0.00152044484797
                   +1 :               0.00234566783358
                4p
                   -1 :               0.00064288412935
                   +0 :              -0.00027457143919
                   +1 :              -0.00043894791336
                3d
                   -2 :               0.00017998626763
                   -1 :               0.00044150452051
                   +0 :               0.00043522401448
                   +1 :              -0.00033493953659
                   +2 :               0.00033493850505
              4 vec=    -2.802674     -7.607297     -5.671791   |vec|=    9.894198
                2s
                   +0 :              -0.00218784458961
                2p
                   -1 :               0.00016922099427
                   +0 :              -0.00027354577185
                   +1 :               0.00185390573830
                3s
                   +0 :               0.00579608419654
                4s
                   +0 :              -0.00145758506314
                3p
                   -1 :              -0.00004832461796
                   +0 :               0.00277374989387
                   +1 :              -0.00839561135805
                4p
                   -1 :              -0.00015826148779
                   +0 :              -0.00146439168958
                   +1 :               0.00152201659933
                3d
                   -2 :               0.00079062912610
                   -1 :              -0.00064683381316
                   +0 :              -0.00095860930647
                   +1 :               0.00039375404572
                   +2 :               0.00107567786735
              5 vec=    -2.802674     10.360219     -5.671791   |vec|=   12.139125
                2s
                   +0 :               0.00031798444421
                2p
                   -1 :               0.00029119136704
                   +0 :              -0.00016310093856
                   +1 :              -0.00000950115233
                3s
                   +0 :              -0.00082495951619
                4s
                   +0 :               0.00050864597112
                3p
                   -1 :              -0.00134959142329
                   +0 :               0.00042224682906
                   +1 :               0.00028999381527
                4p
                   -1 :               0.00045850741352
                   +0 :              -0.00017661536893
                   +1 :              -0.00007548446019
                3d
                   -2 :               0.00009143932661
                   -1 :               0.00015058450272
                   +0 :               0.00007889463649
                   +1 :               0.00000999742831
                   +2 :               0.00010814952125
              6 vec=   -10.582837     -3.115418     -5.671791   |vec|=   12.404494
                2s
                   +0 :              -0.00015689474870
                2p
                   -1 :               0.00013878177294
                   +0 :               0.00008635920984
                   +1 :               0.00014521440644
                3s
                   +0 :               0.00042381247565
                4s
                   +0 :              -0.00007273870650
                3p
                   -1 :              -0.00042618233879
                   +0 :              -0.00014406181574
                   +1 :              -0.00060571596295
                4p
                   -1 :               0.00009110959812
                   +0 :              -0.00004285266450
                   +1 :               0.00004492205561
                3d
                   -2 :               0.00016396896543
                   -1 :               0.00004677648765
                   +0 :               0.00000461235942
                   +1 :               0.00021118250416
                   +2 :               0.00028705915315
              7 vec=   -10.582837      5.868340     -5.671791   |vec|=   13.364246
                2s
                   +0 :               0.00006535181710
                2p
                   -1 :              -0.00001917112633
                   +0 :               0.00005006388144
                   +1 :              -0.00003166723209
                3s
                   +0 :              -0.00026023445441
                4s
                   +0 :               0.00012930443839
                3p
                   -1 :               0.00000824495014
                   +0 :              -0.00015111748952
                   +1 :               0.00020639023412
                4p
                   -1 :               0.00002105114496
                   +0 :              -0.00000478576119
                   +1 :              -0.00010015483447
                3d
                   -2 :               0.00001201525639
                   -1 :               0.00006461437457
                   +0 :               0.00000994211864
                   +1 :               0.00009863342722
                   +2 :               0.00007799063510
              8 vec=    12.757651      1.376461     -5.671791   |vec|=   14.029310
                2s
                   +0 :               0.00039256707208
                2p
                   -1 :              -0.00016375640113
                   +0 :              -0.00009588606575
                   +1 :               0.00008854576771
                3s
                   +0 :              -0.00104494219772
                4s
                   +0 :               0.00019622548591
                3p
                   -1 :               0.00076450967934
                   +0 :               0.00041211777930
                   +1 :              -0.00016451928383
                4p
                   -1 :              -0.00019224015370
                   +0 :              -0.00013375089590
                   +1 :              -0.00006897994408
                3d
                   -2 :               0.00013115522187
                   -1 :              -0.00018879715000
                   +0 :               0.00000438337283
                   +1 :               0.00006944206310
                   +2 :               0.00000922359917
              9 vec=     4.977489    -12.099176     -5.671791   |vec|=   14.259546
                2s
                   +0 :              -0.00003663410073
                2p
                   -1 :               0.00013404574429
                   +0 :               0.00007768671838
                   +1 :              -0.00000224936619
                3s
                   +0 :               0.00022389059263
                4s
                   +0 :              -0.00016296404896
                3p
                   -1 :              -0.00082230385194
                   +0 :              -0.00027179631270
                   +1 :               0.00002657563582
                4p
                   -1 :               0.00024075755610
                   +0 :               0.00005282932646
                   +1 :              -0.00003366510408
                3d
                   -2 :              -0.00006022629053
                   -1 :               0.00015657571342
                   +0 :              -0.00014412445723
                   +1 :               0.00008777917782
                   +2 :              -0.00004690022126
             10 vec=    12.757651     -7.607297     -5.671791   |vec|=   15.899618
                2s
                   +0 :              -0.00016103131763
                2p
                   -1 :               0.00007156675715
                   +0 :               0.00004594317405
                   +1 :              -0.00010189348461
                3s
                   +0 :               0.00051195036385
                4s
                   +0 :              -0.00013216756195
                3p
                   -1 :              -0.00037620038038
                   +0 :              -0.00014574082354
                   +1 :               0.00054634101753
                4p
                   -1 :               0.00007576154836
                   +0 :               0.00000512903697
                   +1 :              -0.00011473557930
                3d
                   -2 :              -0.00012906001855
                   -1 :               0.00007441732593
                   +0 :              -0.00007210540375
                   +1 :              -0.00003741474781
                   +2 :               0.00008283866449
             11 vec=     4.977489     14.852098     -5.671791   |vec|=   16.659215
                2s
                   +0 :               0.00006782792646
                2p
                   -1 :               0.00002420258699
                   +0 :              -0.00001854604725
                   +1 :               0.00001039821514
                3s
                   +0 :              -0.00000243081637
                4s
                   +0 :               0.00002830295004
                3p
                   -1 :               0.00004024250150
                   +0 :               0.00005911581738
                   +1 :              -0.00007312276848
                4p
                   -1 :              -0.00000191435171
                   +0 :              -0.00000304140336
                   +1 :               0.00002195763414
                3d
                   -2 :              -0.00001058936002
                   -1 :               0.00005732167605
                   +0 :              -0.00002330707738
                   +1 :               0.00001093668505
                   +2 :               0.00000344786062
             12 vec=   -10.582837    -12.099176     -5.671791   |vec|=   17.045694
                2s
                   +0 :              -0.00014625081740
                2p
                   -1 :               0.00005134841176
                   +0 :               0.00004570260907
                   +1 :               0.00008660061499
                3s
                   +0 :               0.00050998584367
                4s
                   +0 :              -0.00018243188039
                3p
                   -1 :              -0.00031028215839
                   +0 :              -0.00023635714095
                   +1 :              -0.00044586886045
                4p
                   -1 :               0.00009689800678
                   +0 :               0.00005326828406
                   +1 :               0.00009577887912
                3d
                   -2 :               0.00007987088321
                   -1 :               0.00006862120208
                   +0 :               0.00000932353459
                   +1 :               0.00012814805146
                   +2 :               0.00006543117450
             13 vec=    12.757651     10.360219     -5.671791   |vec|=   17.385656
                2s
                   +0 :              -0.00001979652483
                2p
                   -1 :              -0.00003687842468
                   +0 :              -0.00002062271786
                   +1 :              -0.00000403989747
                3s
                   +0 :               0.00004597171689
                4s
                   +0 :              -0.00001524727622
                3p
                   -1 :               0.00016963804405
                   +0 :               0.00005442195854
                   +1 :              -0.00000673998563
                4p
                   -1 :              -0.00005176452155
                   +0 :               0.00000475390621
                   +1 :               0.00000922880781
                3d
                   -2 :               0.00001486150188
                   -1 :              -0.00000521450681
                   +0 :               0.00001611068346
                   +1 :               0.00000386055386
                   +2 :              -0.00000729118703
             14 vec=    -2.802674    -16.591055     -5.671791   |vec|=   17.756331
                2s
                   +0 :               0.00001282563936
                2p
                   -1 :              -0.00000002552203
                   +0 :              -0.00001872735060
                   +1 :               0.00001378288398
                3s
                   +0 :              -0.00016008644362
                4s
                   +0 :               0.00006316811613
                3p
                   -1 :               0.00007305509509
                   +0 :               0.00002824478546
                   +1 :               0.00002968172465
                4p
                   -1 :              -0.00002274657284
                   +0 :               0.00003016865102
                   +1 :              -0.00004288082847
                3d
                   -2 :               0.00005350759838
                   -1 :              -0.00000701885475
                   +0 :               0.00001164355681
                   +1 :               0.00004929694501
                   +2 :              -0.00002548139983
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al(  2)  npairs=  14
              1 vec=    -2.802674      1.376461      1.580534   |vec|=    3.499674
                2s
                   +0 :               0.02111213914809
                2p
                   -1 :               0.00305048992252
                   +0 :               0.01257387496583
                   +1 :              -0.01997669247118
                3s
                   +0 :               0.03497506647109
                4s
                   +0 :               0.01154389447594
                3p
                   -1 :              -0.02890293050164
                   +0 :               0.02425355677241
                   +1 :              -0.03776043622970
                4p
                   -1 :               0.00627662379592
                   +0 :               0.00600614123501
                   +1 :              -0.01036400851629
                3d
                   -2 :               0.00748821951440
                   -1 :              -0.00314140866011
                   +0 :               0.00374259163501
                   +1 :              -0.02978112320527
                   +2 :               0.03274453980449
              2 vec=     4.977489     -3.115418      1.580534   |vec|=    6.081062
                2s
                   +0 :               0.00152197109002
                2p
                   -1 :               0.00056524258324
                   +0 :               0.00139738791613
                   +1 :               0.00069801346028
                3s
                   +0 :               0.00151021643022
                4s
                   +0 :               0.00179260027819
                3p
                   -1 :              -0.00423012580480
                   +0 :              -0.00819576497065
                   +1 :              -0.00357382949235
                4p
                   -1 :               0.00185690563145
                   +0 :               0.00283354384042
                   +1 :               0.00157315057318
                3d
                   -2 :               0.00397708108646
                   -1 :               0.00138567467552
                   +0 :               0.00178393366782
                   +1 :              -0.00202021208832
                   +2 :              -0.00108027880380
              3 vec=     4.977489      5.868340      1.580534   |vec|=    7.855629
                2s
                   +0 :               0.00014485403366
                2p
                   -1 :              -0.00028009697459
                   +0 :              -0.00057910178550
                   +1 :              -0.00033069127354
                3s
                   +0 :               0.01473770885441
                4s
                   +0 :              -0.00018284061256
                3p
                   -1 :               0.00181506143502
                   +0 :               0.01190093362092
                   +1 :               0.00969893077700
                4p
                   -1 :              -0.00015424704745
                   +0 :              -0.00091084668028
                   +1 :               0.00009751156745
                3d
                   -2 :               0.00084266317106
                   -1 :               0.00230968050089
                   +0 :               0.00092848374534
                   +1 :               0.00435059638866
                   +2 :               0.00293176007766
              4 vec=    -2.802674     -7.607297      1.580534   |vec|=    8.259784
                2s
                   +0 :               0.00072878963461
                2p
                   -1 :               0.00023658558045
                   +0 :               0.00052662101881
                   +1 :               0.00125774328772
                3s
                   +0 :              -0.00852035566203
                4s
                   +0 :               0.00164146271333
                3p
                   -1 :               0.00102940198052
                   +0 :              -0.00770608893206
                   +1 :              -0.01133523562121
                4p
                   -1 :              -0.00017097817037
                   +0 :               0.00120109150107
                   +1 :               0.00174351948431
                3d
                   -2 :               0.00393178230849
                   -1 :               0.00209332310453
                   +0 :              -0.00124784773448
                   +1 :              -0.00298001983652
                   +2 :              -0.00110103682142
              5 vec=    -2.802674     10.360219      1.580534   |vec|=   10.848374
                2s
                   +0 :              -0.00035602791819
                2p
                   -1 :              -0.00017254862189
                   +0 :               0.00002140789755
                   +1 :               0.00043779196754
                3s
                   +0 :               0.00234297761520
                4s
                   +0 :              -0.00036912236218
                3p
                   -1 :               0.00123109844510
                   +0 :               0.00060850446841
                   +1 :              -0.00247969247158
                4p
                   -1 :              -0.00018092222739
                   +0 :              -0.00004271241647
                   +1 :               0.00045593834524
                3d
                   -2 :              -0.00077541286927
                   -1 :               0.00024385861995
                   +0 :              -0.00018449422342
                   +1 :              -0.00018580306728
                   +2 :               0.00007253731977
              6 vec=   -10.582837     -3.115418      1.580534   |vec|=   11.144521
                2s
                   +0 :               0.00056832979285
                2p
                   -1 :              -0.00006399191852
                   +0 :              -0.00016118442505
                   +1 :              -0.00010300721654
                3s
                   +0 :              -0.00335354027583
                4s
                   +0 :               0.00037347050348
                3p
                   -1 :              -0.00012814700909
                   +0 :               0.00001140340154
                   +1 :               0.00165205267097
                4p
                   -1 :              -0.00010752877998
                   +0 :              -0.00008074524390
                   +1 :              -0.00000396548200
                3d
                   -2 :               0.00016453839537
                   -1 :              -0.00049771226517
                   +0 :              -0.00019645317622
                   +1 :               0.00015105358719
                   +2 :              -0.00051524330830
              7 vec=   -10.582837      5.868340      1.580534   |vec|=   12.203767
                2s
                   +0 :               0.00010114475800
                2p
                   -1 :               0.00014997256126
                   +0 :               0.00013689672104
                   +1 :              -0.00002238218799
                3s
                   +0 :               0.00020156072350
                4s
                   +0 :               0.00007605192902
                3p
                   -1 :              -0.00028070791665
                   +0 :              -0.00027968856339
                   +1 :              -0.00017786156805
                4p
                   -1 :               0.00022476542303
                   +0 :               0.00012271530506
                   +1 :               0.00007537965896
                3d
                   -2 :              -0.00008531362320
                   -1 :               0.00003773844452
                   +0 :              -0.00000297445985
                   +1 :               0.00007708619254
                   +2 :              -0.00016959439659
              8 vec=    12.757651      1.376461      1.580534   |vec|=   12.928666
                2s
                   +0 :              -0.00021449691669
                2p
                   -1 :               0.00004066810756
                   +0 :              -0.00003940978042
                   +1 :               0.00002421652560
                3s
                   +0 :               0.00057538392079
                4s
                   +0 :              -0.00008215498105
                3p
                   -1 :              -0.00020148227116
                   +0 :               0.00038947808273
                   +1 :              -0.00021086464159
                4p
                   -1 :               0.00009364898846
                   +0 :              -0.00012549046538
                   +1 :               0.00012132512026
                3d
                   -2 :              -0.00011434204006
                   -1 :               0.00012307705921
                   +0 :              -0.00005393521870
                   +1 :               0.00005416019772
                   +2 :              -0.00011297665380
              9 vec=     4.977489    -12.099176      1.580534   |vec|=   13.178146
                2s
                   +0 :               0.00018026431420
                2p
                   -1 :               0.00008924786966
                   +0 :               0.00010442988660
                   +1 :               0.00013287123084
                3s
                   +0 :              -0.00286622879216
                4s
                   +0 :               0.00009604748952
                3p
                   -1 :               0.00124783334541
                   +0 :              -0.00238511492027
                   +1 :              -0.00007264354684
                4p
                   -1 :               0.00018631687871
                   +0 :               0.00037295274564
                   +1 :               0.00006870504424
                3d
                   -2 :              -0.00018098926058
                   -1 :               0.00104786935590
                   +0 :              -0.00025255467562
                   +1 :               0.00000129732688
                   +2 :               0.00034062142805
             10 vec=    12.757651     -7.607297      1.580534   |vec|=   14.937427
                2s
                   +0 :               0.00006643523135
                2p
                   -1 :               0.00001023283103
                   +0 :              -0.00001107115903
                   +1 :              -0.00003519132101
                3s
                   +0 :              -0.00026741248956
                4s
                   +0 :              -0.00002769848390
                3p
                   -1 :              -0.00018645416302
                   +0 :              -0.00002713655437
                   +1 :               0.00021228194109
                4p
                   -1 :               0.00003414780941
                   +0 :              -0.00003276630937
                   +1 :              -0.00011307973067
                3d
                   -2 :              -0.00004047429026
                   -1 :              -0.00009031461396
                   +0 :              -0.00002399805005
                   +1 :              -0.00001434230201
                   +2 :               0.00005244611306
             11 vec=     4.977489     14.852098      1.580534   |vec|=   15.743516
                2s
                   +0 :              -0.00012662432097
                2p
                   -1 :              -0.00007022401805
                   +0 :              -0.00003081410600
                   +1 :              -0.00000791001372
                3s
                   +0 :               0.00044945684323
                4s
                   +0 :              -0.00017288276375
                3p
                   -1 :               0.00043918879287
                   +0 :               0.00023029050637
                   +1 :               0.00000964339172
                4p
                   -1 :              -0.00011261942149
                   +0 :              -0.00006504326541
                   +1 :               0.00000396025148
                3d
                   -2 :              -0.00000312875850
                   -1 :               0.00004903186909
                   +0 :              -0.00007923426347
                   +1 :               0.00000435642280
                   +2 :              -0.00012462944810
             12 vec=   -10.582837    -12.099176      1.580534   |vec|=   16.151921
                2s
                   +0 :               0.00001366515876
                2p
                   -1 :               0.00000001580345
                   +0 :              -0.00000630180402
                   +1 :               0.00002911800152
                3s
                   +0 :               0.00006618795337
                4s
                   +0 :              -0.00011111976589
                3p
                   -1 :              -0.00013869274582
                   +0 :               0.00004767850820
                   +1 :              -0.00026385504154
                4p
                   -1 :               0.00007373103715
                   +0 :              -0.00003617706806
                   +1 :               0.00015303302376
                3d
                   -2 :              -0.00001913767334
                   -1 :               0.00001288425562
                   +0 :               0.00004232360032
                   +1 :               0.00001505302690
                   +2 :               0.00006490811495
             13 vec=    12.757651     10.360219      1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00001493108238
                2p
                   -1 :              -0.00000847533721
                   +0 :              -0.00002325656077
                   +1 :              -0.00000338807000
                3s
                   +0 :              -0.00003230280968
                4s
                   +0 :               0.00000368601242
                3p
                   -1 :              -0.00001756961673
                   +0 :               0.00008102614545
                   +1 :              -0.00009850178156
                4p
                   -1 :               0.00000533820405
                   +0 :              -0.00002211642789
                   +1 :               0.00000954273996
                3d
                   -2 :              -0.00000792371452
                   -1 :              -0.00000006056424
                   +0 :               0.00000439261905
                   +1 :               0.00000207426096
                   +2 :              -0.00001733326642
             14 vec=    -2.802674    -16.591055      1.580534   |vec|=   16.900182
                2s
                   +0 :              -0.00000114189772
                2p
                   -1 :               0.00000016538432
                   +0 :              -0.00001652171787
                   +1 :               0.00001349514297
                3s
                   +0 :              -0.00027438682871
                4s
                   +0 :               0.00011189633946
                3p
                   -1 :               0.00018348851178
                   +0 :              -0.00005514796821
                   +1 :              -0.00006830384050
                4p
                   -1 :              -0.00007279698672
                   +0 :               0.00000054897384
                   +1 :               0.00003116337850
                3d
                   -2 :               0.00001980984670
                   -1 :               0.00003481386507
                   +0 :              -0.00000354225627
                   +1 :              -0.00000113058652
                   +2 :               0.00000721194475
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Cr(  3)  npairs=  15
              1 vec=    -2.802674      1.376461    -10.693237   |vec|=   11.139791
                3s
                   +0 :              -0.00067840170463
                3p
                   -1 :               0.00002419634605
                   +0 :               0.00012876351202
                   +1 :              -0.00035064520428
                4s
                   +0 :               0.00125427343442
                5s
                   +0 :              -0.00002370838804
                3d
                   -2 :               0.00030364404855
                   -1 :              -0.00051659405725
                   +0 :               0.00044512916616
                   +1 :               0.00063849446833
                   +2 :               0.00105536723287
                4d
                   -2 :              -0.00002626733301
                   -1 :              -0.00025495656217
                   +0 :              -0.00037111019646
                   +1 :              -0.00013596898812
                   +2 :               0.00010904089087
                4p
                   -1 :               0.00038068790496
                   +0 :              -0.00021596658101
                   +1 :               0.00034265020065
              2 vec=     4.977489     -3.115418    -10.693237   |vec|=   12.199448
                3s
                   +0 :              -0.00043788567335
                3p
                   -1 :               0.00037753531969
                   +0 :               0.00012333183083
                   +1 :              -0.00004827298486
                4s
                   +0 :               0.00086868846352
                5s
                   +0 :               0.00000167992537
                3d
                   -2 :               0.00020757287714
                   -1 :              -0.00031731721259
                   +0 :              -0.00027283000200
                   +1 :               0.00021380071310
                   +2 :              -0.00000432420646
                4d
                   -2 :              -0.00008306471900
                   -1 :               0.00047006707429
                   +0 :              -0.00011948813445
                   +1 :               0.00005828222885
                   +2 :              -0.00024026679111
                4p
                   -1 :              -0.00076160122236
                   +0 :              -0.00014170085219
                   +1 :               0.00007608141843
              3 vec=     4.977489      5.868340    -10.693237   |vec|=   13.174146
                3s
                   +0 :              -0.00004648063596
                3p
                   -1 :              -0.00018808960616
                   +0 :               0.00012994154129
                   +1 :              -0.00018403229620
                4s
                   +0 :              -0.00074053206786
                5s
                   +0 :               0.00004357254049
                3d
                   -2 :              -0.00056943307356
                   -1 :               0.00070323009813
                   +0 :               0.00000751506077
                   +1 :               0.00066855634308
                   +2 :              -0.00018026651141
                4d
                   -2 :               0.00003566340836
                   -1 :               0.00008279287020
                   +0 :              -0.00004892595285
                   +1 :              -0.00002584771036
                   +2 :              -0.00002898370592
                4p
                   -1 :              -0.00000665593528
                   +0 :               0.00035455012617
                   +1 :              -0.00005407728726
              4 vec=    -2.802674     -7.607297    -10.693237   |vec|=   13.419063
                3s
                   +0 :               0.00043829107006
                3p
                   -1 :               0.00006322911624
                   +0 :              -0.00020988224454
                   +1 :              -0.00019954341528
                4s
                   +0 :              -0.00029494697485
                5s
                   +0 :              -0.00003684834011
                3d
                   -2 :              -0.00013283257848
                   -1 :              -0.00011450489863
                   +0 :              -0.00026769104337
                   +1 :               0.00036650497857
                   +2 :              -0.00005394042007
                4d
                   -2 :               0.00005135627360
                   -1 :               0.00015751682793
                   +0 :               0.00026979827436
                   +1 :              -0.00029794582219
                   +2 :              -0.00008760759312
                4p
                   -1 :              -0.00031733134299
                   +0 :               0.00000840717035
                   +1 :               0.00037769180265
              5 vec=    -2.802674      1.376461     13.854306   |vec|=   14.201810
                3s
                   +0 :              -0.00000887742999
                3p
                   -1 :              -0.00002545212254
                   +0 :               0.00003104588187
                   +1 :              -0.00000371250316
                4s
                   +0 :              -0.00009340655086
                5s
                   +0 :               0.00003723987529
                3d
                   -2 :              -0.00004254883932
                   -1 :               0.00018531898657
                   +0 :               0.00009129509028
                   +1 :               0.00010109954358
                   +2 :              -0.00027689016103
                4d
                   -2 :               0.00001082919843
                   -1 :              -0.00006752601794
                   +0 :              -0.00005889810759
                   +1 :              -0.00001627208320
                   +2 :               0.00004712497245
                4p
                   -1 :               0.00005282678275
                   +0 :              -0.00008120046393
                   +1 :               0.00000424597081
              6 vec=     4.977489     -3.115418     13.854306   |vec|=   15.047359
                3s
                   +0 :               0.00007310692803
                3p
                   -1 :               0.00005289910796
                   +0 :               0.00003339087020
                   +1 :              -0.00003228656660
                4s
                   +0 :              -0.00018964962505
                5s
                   +0 :               0.00001998821703
                3d
                   -2 :              -0.00001500332819
                   -1 :               0.00005167126167
                   +0 :              -0.00002916625017
                   +1 :               0.00001152394771
                   +2 :              -0.00002495504102
                4d
                   -2 :               0.00003685833991
                   -1 :               0.00004321907449
                   +0 :              -0.00004152468965
                   +1 :              -0.00002913022305
                   +2 :               0.00002289000384
                4p
                   -1 :              -0.00005250774021
                   +0 :              -0.00010294168096
                   +1 :               0.00003943430373
              7 vec=    -2.802674     10.360219    -10.693237   |vec|=   15.150394
                3s
                   +0 :              -0.00001682016962
                3p
                   -1 :               0.00002351693655
                   +0 :               0.00005274638508
                   +1 :               0.00008798956678
                4s
                   +0 :              -0.00006180558216
                5s
                   +0 :              -0.00000827466419
                3d
                   -2 :               0.00021329326447
                   -1 :               0.00009903493949
                   +0 :              -0.00005682078687
                   +1 :              -0.00042357707581
                   +2 :              -0.00020813700863
                4d
                   -2 :               0.00001856319329
                   -1 :              -0.00002585480788
                   +0 :               0.00001234133082
                   +1 :               0.00003248638426
                   +2 :              -0.00001363294591
                4p
                   -1 :               0.00000084947101
                   +0 :              -0.00006780784884
                   +1 :              -0.00007735520859
              8 vec=   -10.582837     -3.115418    -10.693237   |vec|=   15.363840
                3s
                   +0 :               0.00015381092623
                3p
                   -1 :               0.00000906109541
                   +0 :              -0.00008550065484
                   +1 :              -0.00008217642011
                4s
                   +0 :              -0.00014036942122
                5s
                   +0 :              -0.00003073261908
                3d
                   -2 :              -0.00016021087731
                   -1 :              -0.00015606006226
                   +0 :               0.00009427561423
                   +1 :               0.00023774669833
                   +2 :               0.00006857595080
                4d
                   -2 :               0.00002075840803
                   -1 :              -0.00004148152883
                   +0 :              -0.00003213709226
                   +1 :               0.00000485786514
                   +2 :               0.00004902556672
                4p
                   -1 :               0.00000478589391
                   +0 :               0.00011861603514
                   +1 :               0.00006422734241
              9 vec=     4.977489      5.868340     13.854306   |vec|=   15.847858
                3s
                   +0 :              -0.00005102479319
                3p
                   -1 :              -0.00000314553418
                   +0 :               0.00000710058436
                   +1 :              -0.00000265211561
                4s
                   +0 :               0.00007376633630
                5s
                   +0 :               0.00002372497379
                3d
                   -2 :               0.00014711714414
                   -1 :               0.00015904414916
                   +0 :              -0.00002875807659
                   +1 :              -0.00002011539268
                   +2 :              -0.00012086902962
                4d
                   -2 :               0.00002649487348
                   -1 :              -0.00002548179048
                   +0 :              -0.00009087740880
                   +1 :              -0.00003986714761
                   +2 :              -0.00003488680934
                4p
                   -1 :               0.00009505796410
                   +0 :              -0.00004343486094
                   +1 :              -0.00000248943020
             10 vec=    -2.802674     -7.607297     13.854306   |vec|=   16.052032
                3s
                   +0 :               0.00013863138364
                3p
                   -1 :              -0.00006065060381
                   +0 :               0.00008109539954
                   +1 :               0.00001427775845
                4s
                   +0 :              -0.00019111182372
                5s
                   +0 :               0.00001363184103
                3d
                   -2 :               0.00007214516511
                   -1 :              -0.00007395845358
                   +0 :              -0.00007395044746
                   +1 :              -0.00008464067669
                   +2 :               0.00008211201902
                4d
                   -2 :               0.00002569860690
                   -1 :               0.00004534017098
                   +0 :              -0.00002799080314
                   +1 :               0.00007278700033
                   +2 :              -0.00002750109611
                4p
                   -1 :               0.00006896504802
                   +0 :              -0.00013577950679
                   +1 :              -0.00009338164056
             11 vec=   -10.582837      5.868340    -10.693237   |vec|=   16.148658
                3s
                   +0 :              -0.00019741868213
                3p
                   -1 :              -0.00004025021196
                   +0 :               0.00011337241630
                   +1 :               0.00008520630383
                4s
                   +0 :               0.00037211382551
                5s
                   +0 :              -0.00004356026921
                3d
                   -2 :               0.00015645117632
                   -1 :               0.00018418737068
                   +0 :              -0.00006231071889
                   +1 :              -0.00021947082390
                   +2 :              -0.00002861829679
                4d
                   -2 :              -0.00004162674176
                   -1 :              -0.00008790192219
                   +0 :               0.00004297038258
                   +1 :               0.00012065685979
                   +2 :               0.00003457194980
                4p
                   -1 :               0.00007042885287
                   +0 :              -0.00020575696947
                   +1 :              -0.00015954044287
             12 vec=    12.757651      1.376461    -10.693237   |vec|=   16.703222
                3s
                   +0 :              -0.00006656900443
                3p
                   -1 :               0.00002381149509
                   +0 :               0.00005925820543
                   +1 :              -0.00004016847130
                4s
                   +0 :               0.00019411791341
                5s
                   +0 :              -0.00004026462200
                3d
                   -2 :               0.00000375106524
                   -1 :              -0.00001847439531
                   +0 :              -0.00000949414713
                   +1 :               0.00004221525166
                   +2 :              -0.00005014035259
                4d
                   -2 :              -0.00001982653820
                   -1 :               0.00001993294961
                   +0 :               0.00004714279851
                   +1 :              -0.00009606241519
                   +2 :               0.00007639059445
                4p
                   -1 :              -0.00005430442969
                   +0 :              -0.00014604931641
                   +1 :               0.00009238745342
             13 vec=     4.977489    -12.099176    -10.693237   |vec|=   16.897064
                3s
                   +0 :              -0.00011000982072
                3p
                   -1 :               0.00005905182840
                   +0 :               0.00006743890066
                   +1 :               0.00001833093504
                4s
                   +0 :               0.00023577182601
                5s
                   +0 :               0.00000685930355
                3d
                   -2 :               0.00000636657364
                   -1 :               0.00011358769364
                   +0 :               0.00001054566908
                   +1 :               0.00000643737745
                   +2 :              -0.00005647792754
                4d
                   -2 :               0.00005548586759
                   -1 :               0.00002730928096
                   +0 :               0.00005864443487
                   +1 :              -0.00000763134125
                   +2 :              -0.00003305164874
                4p
                   -1 :              -0.00008440038503
                   +0 :              -0.00016995605942
                   +1 :              -0.00006725481177
             14 vec=    -2.802674     10.360219     13.854306   |vec|=   17.525151
                3s
                   +0 :               0.00001516800013
                3p
                   -1 :              -0.00000926085187
                   +0 :              -0.00001668108233
                   +1 :               0.00001613579860
                4s
                   +0 :              -0.00017288864950
                5s
                   +0 :               0.00000842899836
                3d
                   -2 :              -0.00003537456000
                   -1 :              -0.00012665254703
                   +0 :               0.00011806150782
                   +1 :               0.00002031262051
                   +2 :               0.00022255948689
                4d
                   -2 :              -0.00001905341155
                   -1 :              -0.00002152960286
                   +0 :               0.00000343441665
                   +1 :              -0.00001865009604
                   +2 :               0.00003370182113
                4p
                   -1 :              -0.00013420926794
                   +0 :              -0.00000161334897
                   +1 :              -0.00004649340443
             15 vec=   -10.582837     -3.115418     13.854306   |vec|=   17.709998
                3s
                   +0 :              -0.00007078138758
                3p
                   -1 :               0.00002948291645
                   +0 :               0.00000661757440
                   +1 :               0.00004406077504
                4s
                   +0 :               0.00016667086786
                5s
                   +0 :               0.00000006773941
                3d
                   -2 :               0.00002319626831
                   -1 :               0.00003156936405
                   +0 :              -0.00001868028269
                   +1 :              -0.00000966354220
                   +2 :              -0.00000120441334
                4d
                   -2 :               0.00001358429762
                   -1 :              -0.00001346888258
                   +0 :              -0.00003536507547
                   +1 :              -0.00000809376163
                   +2 :               0.00004261048596
                4p
                   -1 :              -0.00005957674650
                   +0 :              -0.00001108012723
                   +1 :              -0.00013090787083
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al(  4)  npairs=  13
              1 vec=    -2.802674      1.376461      6.601980   |vec|=    7.303134
                2s
                   +0 :               0.00181745493868
                2p
                   -1 :               0.00046318106068
                   +0 :               0.00024757134873
                   +1 :              -0.00018590363241
                3s
                   +0 :              -0.00619555720013
                4s
                   +0 :               0.00166910360892
                3p
                   -1 :              -0.00599680141645
                   +0 :              -0.00309202151846
                   +1 :              -0.00312758760309
                4p
                   -1 :               0.00008250606967
                   +0 :               0.00024162673147
                   +1 :               0.00075773345274
                3d
                   -2 :               0.00057081350821
                   -1 :              -0.00221337962750
                   +0 :              -0.00071738183291
                   +1 :              -0.00005824116666
                   +2 :               0.00150878082046
              2 vec=     4.977489     -3.115418      6.601980   |vec|=    8.835573
                2s
                   +0 :               0.00143477156932
                2p
                   -1 :              -0.00074877213016
                   +0 :               0.00014634365248
                   +1 :              -0.00010438263666
                3s
                   +0 :              -0.01317884568499
                4s
                   +0 :               0.00313863914353
                3p
                   -1 :               0.00728768119720
                   +0 :              -0.00596127863818
                   +1 :              -0.00371409645839
                4p
                   -1 :              -0.00181217584445
                   +0 :               0.00087420907835
                   +1 :              -0.00004984268006
                3d
                   -2 :               0.00211497607511
                   -1 :               0.00169374623232
                   +0 :              -0.00045743976060
                   +1 :              -0.00150274635180
                   +2 :               0.00013223608847
              3 vec=     4.977489      5.868340      6.601980   |vec|=   10.138982
                2s
                   +0 :               0.00051541630252
                2p
                   -1 :               0.00004572070997
                   +0 :               0.00045792782000
                   +1 :              -0.00009443977215
                3s
                   +0 :              -0.00088842741729
                4s
                   +0 :               0.00021788905172
                3p
                   -1 :              -0.00019545261305
                   +0 :              -0.00241989392274
                   +1 :               0.00138300764093
                4p
                   -1 :              -0.00020125452734
                   +0 :               0.00045232426145
                   +1 :              -0.00026069085145
                3d
                   -2 :               0.00014980500680
                   -1 :              -0.00042273466143
                   +0 :               0.00002029736737
                   +1 :               0.00005139151874
                   +2 :               0.00014641189530
              4 vec=    -2.802674     -7.607297      6.601980   |vec|=   10.455242
                2s
                   +0 :               0.00151361625208
                2p
                   -1 :              -0.00042388554890
                   +0 :               0.00033736083214
                   +1 :              -0.00036466279322
                3s
                   +0 :              -0.00625789460721
                4s
                   +0 :               0.00204441346975
                3p
                   -1 :               0.00276057044206
                   +0 :              -0.00251004083658
                   +1 :               0.00182276439209
                4p
                   -1 :              -0.00068180696115
                   +0 :               0.00067737744414
                   +1 :              -0.00053291786960
                3d
                   -2 :              -0.00058896227744
                   -1 :               0.00031307867386
                   +0 :              -0.00025890279948
                   +1 :               0.00056893696265
                   +2 :               0.00007467821549
              5 vec=    -2.802674     10.360219      6.601980   |vec|=   12.600606
                2s
                   +0 :               0.00040540708325
                2p
                   -1 :               0.00032691045364
                   +0 :               0.00019344290384
                   +1 :               0.00004137139084
                3s
                   +0 :              -0.00082133105459
                4s
                   +0 :               0.00039375099584
                3p
                   -1 :              -0.00131242686558
                   +0 :              -0.00064555441666
                   +1 :              -0.00014546292563
                4p
                   -1 :               0.00040212954000
                   +0 :               0.00024501557714
                   +1 :               0.00003187644204
                3d
                   -2 :              -0.00009402113971
                   -1 :              -0.00015277338166
                   +0 :               0.00005612567693
                   +1 :              -0.00006092346946
                   +2 :               0.00005118622527
              6 vec=   -10.582837     -3.115418      6.601980   |vec|=   12.856453
                2s
                   +0 :               0.00003156915628
                2p
                   -1 :              -0.00002388393387
                   +0 :               0.00017466947510
                   +1 :              -0.00003151689005
                3s
                   +0 :              -0.00016139738466
                4s
                   +0 :               0.00007774360545
                3p
                   -1 :              -0.00001683875678
                   +0 :              -0.00080801370282
                   +1 :               0.00005506109962
                4p
                   -1 :               0.00007337606680
                   +0 :               0.00018232988359
                   +1 :              -0.00001318611079
                3d
                   -2 :               0.00011137619985
                   -1 :               0.00007935033193
                   +0 :              -0.00023947569164
                   +1 :               0.00019036139366
                   +2 :               0.00000589153491
              7 vec=   -10.582837      5.868340      6.601980   |vec|=   13.784774
                2s
                   +0 :              -0.00000329107703
                2p
                   -1 :               0.00012029222042
                   +0 :              -0.00001664380381
                   +1 :               0.00014585869942
                3s
                   +0 :               0.00021305097977
                4s
                   +0 :              -0.00021452141665
                3p
                   -1 :              -0.00033346976526
                   +0 :               0.00014580166595
                   +1 :              -0.00085631624495
                4p
                   -1 :              -0.00002520500413
                   +0 :              -0.00007356754062
                   +1 :               0.00032514203976
                3d
                   -2 :              -0.00009181713631
                   -1 :              -0.00009601850578
                   +0 :              -0.00006911363341
                   +1 :              -0.00008632131839
                   +2 :              -0.00003946625542
              8 vec=    12.757651      1.376461      6.601980   |vec|=   14.430470
                2s
                   +0 :               0.00001128725958
                2p
                   -1 :              -0.00006643757596
                   +0 :              -0.00002169595378
                   +1 :              -0.00001754491038
                3s
                   +0 :               0.00021857871629
                4s
                   +0 :              -0.00019422855594
                3p
                   -1 :               0.00028957240430
                   +0 :               0.00020174409434
                   +1 :               0.00039134859324
                4p
                   -1 :              -0.00009059643180
                   +0 :              -0.00007830058935
                   +1 :              -0.00021458813433
                3d
                   -2 :               0.00004713061260
                   -1 :               0.00005785535690
                   +0 :              -0.00001465183973
                   +1 :              -0.00000320443777
                   +2 :               0.00012307467182
              9 vec=     4.977489    -12.099176      6.601980   |vec|=   14.654405
                2s
                   +0 :              -0.00013812389071
                2p
                   -1 :               0.00003529834437
                   +0 :              -0.00002299972465
                   +1 :              -0.00004650256761
                3s
                   +0 :               0.00025517099572
                4s
                   +0 :               0.00003224986364
                3p
                   -1 :              -0.00009209432124
                   +0 :              -0.00002610473502
                   +1 :               0.00032972918756
                4p
                   -1 :              -0.00002343189821
                   +0 :               0.00006575737956
                   +1 :              -0.00007887238624
                3d
                   -2 :              -0.00003975544350
                   -1 :              -0.00004792080673
                   +0 :              -0.00009909754023
                   +1 :               0.00005177625493
                   +2 :               0.00010441173407
             10 vec=    12.757651     -7.607297      6.601980   |vec|=   16.254684
                2s
                   +0 :               0.00010452447275
                2p
                   -1 :              -0.00004381787348
                   +0 :               0.00001673877882
                   +1 :               0.00001318784125
                3s
                   +0 :              -0.00031712159814
                4s
                   +0 :               0.00006713027703
                3p
                   -1 :               0.00019709463646
                   +0 :              -0.00007515156184
                   +1 :              -0.00000968919190
                4p
                   -1 :              -0.00003612507832
                   +0 :               0.00003259886671
                   +1 :              -0.00002069206178
                3d
                   -2 :               0.00004045486123
                   -1 :               0.00000104021869
                   +0 :              -0.00002160009714
                   +1 :              -0.00000342209573
                   +2 :               0.00005652225818
             11 vec=     4.977489     14.852098      6.601980   |vec|=   16.998422
                2s
                   +0 :              -0.00009536248286
                2p
                   -1 :              -0.00003662746062
                   +0 :              -0.00002996370426
                   +1 :               0.00000929612909
                3s
                   +0 :               0.00055404640115
                4s
                   +0 :              -0.00012717959052
                3p
                   -1 :               0.00028955894465
                   +0 :               0.00027443383013
                   +1 :              -0.00003893896620
                4p
                   -1 :              -0.00003316389518
                   +0 :              -0.00004492338518
                   +1 :               0.00000309231682
                3d
                   -2 :              -0.00000719976544
                   -1 :               0.00006989947898
                   +0 :               0.00002400365753
                   +1 :               0.00000337858015
                   +2 :              -0.00004490261316
             12 vec=   -10.582837    -12.099176      6.601980   |vec|=   17.377359
                2s
                   +0 :              -0.00001285488365
                2p
                   -1 :               0.00002924866305
                   +0 :              -0.00001883011295
                   +1 :               0.00001125473278
                3s
                   +0 :              -0.00007216507920
                4s
                   +0 :              -0.00000663336588
                3p
                   -1 :              -0.00012417090906
                   +0 :               0.00004728316602
                   +1 :               0.00000914753442
                4p
                   -1 :               0.00003870432256
                   +0 :              -0.00002297536704
                   +1 :               0.00000221288999
                3d
                   -2 :              -0.00001859119607
                   -1 :              -0.00001747379151
                   +0 :               0.00000167179239
                   +1 :              -0.00001306431451
                   +2 :              -0.00001659951425
             13 vec=    12.757651     10.360219      6.601980   |vec|=   17.710956
                2s
                   +0 :              -0.00001818129253
                2p
                   -1 :               0.00002682333366
                   +0 :               0.00000176373934
                   +1 :              -0.00000549384969
                3s
                   +0 :               0.00008107300825
                4s
                   +0 :              -0.00001331795511
                3p
                   -1 :              -0.00012950117196
                   +0 :              -0.00000817061783
                   +1 :              -0.00000186230761
                4p
                   -1 :               0.00003221681279
                   +0 :               0.00000406582369
                   +1 :               0.00001736882531
                3d
                   -2 :              -0.00000122772889
                   -1 :              -0.00001959465503
                   +0 :               0.00001964952332
                   +1 :              -0.00000088224956
                   +2 :              -0.00001160165841
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al(  5)  npairs=  14
              1 vec=     2.384101      1.376461      2.510641   |vec|=    3.725842
                2s
                   +0 :               0.00875197842212
                2p
                   -1 :               0.00361867664127
                   +0 :               0.01014663219509
                   +1 :               0.00956070272203
                3s
                   +0 :               0.03003028010248
                4s
                   +0 :               0.00159585666156
                3p
                   -1 :              -0.01864526906797
                   +0 :               0.03004899858912
                   +1 :               0.02665446117917
                4p
                   -1 :               0.00491485172916
                   +0 :               0.00296107678548
                   +1 :               0.00151621347392
                3d
                   -2 :              -0.00567906209821
                   -1 :              -0.00422011594307
                   +0 :               0.01257416252641
                   +1 :               0.02512452874397
                   +2 :               0.01974833851618
              2 vec=    -5.396061     -3.115418      2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00201190466385
                2p
                   -1 :               0.00057032824326
                   +0 :              -0.00027723609583
                   +1 :               0.00055608967641
                3s
                   +0 :               0.01437794814566
                4s
                   +0 :              -0.00460304672791
                3p
                   -1 :              -0.00470588674495
                   +0 :               0.00648340110403
                   +1 :              -0.00829725455026
                4p
                   -1 :               0.00094750391329
                   +0 :              -0.00160031772128
                   +1 :               0.00147134983385
                3d
                   -2 :              -0.00045907124290
                   -1 :              -0.00198366162210
                   +0 :               0.00042187483510
                   +1 :              -0.00022605440090
                   +2 :               0.00173275229444
              3 vec=    -5.396061      5.868340      2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00087458227620
                2p
                   -1 :              -0.00022607703279
                   +0 :              -0.00056369160618
                   +1 :               0.00058043106952
                3s
                   +0 :               0.00798673823125
                4s
                   +0 :              -0.00121663336912
                3p
                   -1 :              -0.00052600131954
                   +0 :               0.00778707047105
                   +1 :              -0.00527371197337
                4p
                   -1 :               0.00012274823426
                   +0 :              -0.00107081918016
                   +1 :               0.00083871071875
                3d
                   -2 :               0.00085852009107
                   -1 :               0.00006683893741
                   +0 :               0.00129338184648
                   +1 :              -0.00207108520721
                   +2 :               0.00125450274665
              4 vec=     2.384101     -7.607297      2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00119049987712
                2p
                   -1 :               0.00101817103968
                   +0 :               0.00045491811920
                   +1 :              -0.00068751509681
                3s
                   +0 :              -0.00019001080134
                4s
                   +0 :              -0.00121571925736
                3p
                   -1 :              -0.00508318758263
                   +0 :              -0.00683708100443
                   +1 :               0.00478836497350
                4p
                   -1 :               0.00201625597662
                   +0 :               0.00067024073929
                   +1 :              -0.00014496107887
                3d
                   -2 :              -0.00216446548876
                   -1 :               0.00143530907859
                   +0 :              -0.00340370700337
                   +1 :               0.00125804652412
                   +2 :              -0.00102219788380
              5 vec=     2.384101     10.360219      2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00000100461729
                2p
                   -1 :              -0.00006832229851
                   +0 :              -0.00004305195261
                   +1 :              -0.00018420848294
                3s
                   +0 :               0.00037472690670
                4s
                   +0 :              -0.00002729504719
                3p
                   -1 :               0.00057532713606
                   +0 :               0.00027666951685
                   +1 :               0.00060160296584
                4p
                   -1 :              -0.00015401325686
                   +0 :              -0.00004468137581
                   +1 :              -0.00012102206652
                3d
                   -2 :               0.00031200845223
                   -1 :               0.00032753119790
                   +0 :              -0.00024203639573
                   +1 :              -0.00029614493278
                   +2 :              -0.00007514677272
              6 vec=    10.164264     -3.115418      2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00031278199624
                2p
                   -1 :               0.00008134435516
                   +0 :              -0.00014925774682
                   +1 :              -0.00031838843297
                3s
                   +0 :              -0.00014644888015
                4s
                   +0 :              -0.00014942583178
                3p
                   -1 :              -0.00006425231917
                   +0 :               0.00081622693568
                   +1 :               0.00052914016509
                4p
                   -1 :               0.00010304500348
                   +0 :              -0.00031588982861
                   +1 :              -0.00015904114948
                3d
                   -2 :              -0.00007230346293
                   -1 :              -0.00003959179438
                   +0 :              -0.00026979362560
                   +1 :              -0.00001285594519
                   +2 :               0.00004877199465
              7 vec=    10.164264      5.868340      2.510641   |vec|=   12.002208
                2s
                   +0 :               0.00002947833437
                2p
                   -1 :               0.00008758308000
                   +0 :               0.00016534821677
                   +1 :               0.00006218279669
                3s
                   +0 :               0.00011498206870
                4s
                   +0 :               0.00018724484680
                3p
                   -1 :              -0.00014295954907
                   +0 :              -0.00031884363819
                   +1 :              -0.00027787771423
                4p
                   -1 :               0.00015210025449
                   +0 :               0.00011250911925
                   +1 :               0.00009928399451
                3d
                   -2 :              -0.00004722734880
                   -1 :               0.00019731888353
                   +0 :              -0.00003511462374
                   +1 :              -0.00004721646451
                   +2 :              -0.00013963572373
              8 vec=   -13.176224      1.376461      2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00009223390445
                2p
                   -1 :               0.00012407272630
                   +0 :               0.00002178000454
                   +1 :               0.00009486966949
                3s
                   +0 :               0.00027625280720
                4s
                   +0 :              -0.00012197132923
                3p
                   -1 :              -0.00061196252314
                   +0 :              -0.00000696997188
                   +1 :              -0.00049841506926
                4p
                   -1 :               0.00015958833764
                   +0 :              -0.00008702878404
                   +1 :               0.00015399432521
                3d
                   -2 :               0.00020551801511
                   -1 :              -0.00010448073496
                   +0 :              -0.00015793703155
                   +1 :              -0.00000245060271
                   +2 :               0.00013255081115
              9 vec=    -5.396061    -12.099176      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00011226852309
                2p
                   -1 :              -0.00006909501882
                   +0 :               0.00007528704681
                   +1 :               0.00010629471396
                3s
                   +0 :              -0.00151944659156
                4s
                   +0 :               0.00037898116376
                3p
                   -1 :               0.00102640298570
                   +0 :              -0.00113808307566
                   +1 :              -0.00076371089980
                4p
                   -1 :              -0.00022990998708
                   +0 :               0.00014713948109
                   +1 :               0.00014029471971
                3d
                   -2 :               0.00011596985096
                   -1 :               0.00038075590295
                   +0 :              -0.00028465013134
                   +1 :               0.00001051839002
                   +2 :               0.00028210308582
             10 vec=   -13.176224     -7.607297      2.510641   |vec|=   15.420349
                2s
                   +0 :               0.00006113405397
                2p
                   -1 :              -0.00002917602544
                   +0 :               0.00003062552248
                   +1 :              -0.00002936578732
                3s
                   +0 :              -0.00029030533679
                4s
                   +0 :               0.00009792978696
                3p
                   -1 :               0.00013608390816
                   +0 :              -0.00021112197543
                   +1 :               0.00014824120316
                4p
                   -1 :              -0.00004457803345
                   +0 :               0.00006537098532
                   +1 :              -0.00004410498940
                3d
                   -2 :               0.00000003730818
                   -1 :              -0.00000781015649
                   +0 :               0.00002927122482
                   +1 :               0.00005375166289
                   +2 :               0.00001837326980
             11 vec=    -5.396061     14.852098      2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00002511270277
                2p
                   -1 :              -0.00005456193073
                   +0 :               0.00003642863045
                   +1 :              -0.00004884814005
                3s
                   +0 :               0.00021453336699
                4s
                   +0 :              -0.00013111966793
                3p
                   -1 :               0.00029511390280
                   +0 :              -0.00009939968501
                   +1 :               0.00017360281166
                4p
                   -1 :              -0.00011471616025
                   +0 :               0.00000815939379
                   +1 :              -0.00002672775969
                3d
                   -2 :              -0.00000810142247
                   -1 :              -0.00001512706102
                   +0 :               0.00001280609183
                   +1 :               0.00001137338216
                   +2 :              -0.00003598392200
             12 vec=    10.164264    -12.099176      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00007017071999
                2p
                   -1 :              -0.00006155938047
                   +0 :              -0.00002566765024
                   +1 :               0.00005695706401
                3s
                   +0 :              -0.00018816127233
                4s
                   +0 :               0.00009514015515
                3p
                   -1 :               0.00020596707499
                   +0 :               0.00016720538456
                   +1 :              -0.00025836604027
                4p
                   -1 :              -0.00007533692483
                   +0 :              -0.00001901223010
                   +1 :               0.00007995359315
                3d
                   -2 :               0.00000768944005
                   -1 :              -0.00001875045395
                   +0 :               0.00005264584914
                   +1 :               0.00000339986734
                   +2 :              -0.00004421843629
             13 vec=   -13.176224     10.360219      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00002079555025
                2p
                   -1 :              -0.00001321278980
                   +0 :               0.00000089828056
                   +1 :               0.00000011860531
                3s
                   +0 :               0.00012875211010
                4s
                   +0 :              -0.00005280076623
                3p
                   -1 :               0.00003208354455
                   +0 :               0.00003434750561
                   +1 :              -0.00002293130500
                4p
                   -1 :               0.00001460043428
                   +0 :              -0.00000302267231
                   +1 :               0.00002902723565
                3d
                   -2 :              -0.00001140135099
                   -1 :               0.00000826440776
                   +0 :               0.00001744199979
                   +1 :              -0.00001083816246
                   +2 :               0.00000485272182
             14 vec=     2.384101    -16.591055      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00006272876264
                2p
                   -1 :               0.00003063603089
                   +0 :              -0.00002810665604
                   +1 :              -0.00002002500719
                3s
                   +0 :               0.00013861590196
                4s
                   +0 :              -0.00007392635837
                3p
                   -1 :              -0.00012894538636
                   +0 :               0.00009663983228
                   +1 :               0.00004284561388
                4p
                   -1 :               0.00003537989893
                   +0 :              -0.00004479521740
                   +1 :              -0.00000598646441
                3d
                   -2 :               0.00000658619818
                   -1 :              -0.00001802798023
                   +0 :               0.00001765910501
                   +1 :              -0.00004040682157
                   +2 :               0.00000953198551
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al(  6)  npairs=  13
              1 vec=     2.384101      1.376461      9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00027772642615
                2p
                   -1 :              -0.00007733713632
                   +0 :               0.00001221089299
                   +1 :               0.00010319335779
                3s
                   +0 :               0.00085087551431
                4s
                   +0 :              -0.00026416011877
                3p
                   -1 :              -0.00008674809702
                   +0 :              -0.00000958011168
                   +1 :              -0.00089072954615
                4p
                   -1 :              -0.00007406385067
                   +0 :              -0.00005604439875
                   +1 :               0.00026924842291
                3d
                   -2 :               0.00034084149782
                   -1 :              -0.00009985680445
                   +0 :              -0.00013641107348
                   +1 :              -0.00013254772464
                   +2 :              -0.00003051436697
              2 vec=    -5.396061     -3.115418      9.762967   |vec|=   11.581832
                2s
                   +0 :               0.00001853583584
                2p
                   -1 :               0.00030779628930
                   +0 :               0.00009845873135
                   +1 :               0.00007994668704
                3s
                   +0 :              -0.00027346441348
                4s
                   +0 :               0.00026190250289
                3p
                   -1 :              -0.00151041014080
                   +0 :              -0.00073578649486
                   +1 :              -0.00046164718344
                4p
                   -1 :               0.00045549793807
                   +0 :               0.00016659136037
                   +1 :               0.00012605366642
                3d
                   -2 :              -0.00005975622335
                   -1 :              -0.00023923188806
                   +0 :              -0.00029927217699
                   +1 :               0.00007681524477
                   +2 :               0.00022355023854
              3 vec=    -5.396061      5.868340      9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00008242599361
                2p
                   -1 :               0.00003512436553
                   +0 :               0.00005668305261
                   +1 :              -0.00023793335129
                3s
                   +0 :               0.00182929237234
                4s
                   +0 :              -0.00013872307447
                3p
                   -1 :               0.00059367457326
                   +0 :               0.00021695702122
                   +1 :              -0.00054329184134
                4p
                   -1 :               0.00000076488414
                   +0 :               0.00012616731748
                   +1 :              -0.00007634922694
                3d
                   -2 :              -0.00023626941229
                   -1 :               0.00011850091409
                   +0 :              -0.00028177169965
                   +1 :              -0.00005051461250
                   +2 :               0.00032579039765
              4 vec=     2.384101     -7.607297      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00002015460286
                2p
                   -1 :               0.00005531643760
                   +0 :              -0.00003013474545
                   +1 :              -0.00017669139100
                3s
                   +0 :              -0.00071417158367
                4s
                   +0 :               0.00016375577866
                3p
                   -1 :               0.00035420205540
                   +0 :              -0.00001308272745
                   +1 :               0.00091572933482
                4p
                   -1 :               0.00000069332381
                   +0 :              -0.00001702729206
                   +1 :              -0.00043350527635
                3d
                   -2 :               0.00004800230001
                   -1 :              -0.00011334172502
                   +0 :               0.00010047568506
                   +1 :              -0.00003320794907
                   +2 :              -0.00006733333579
              5 vec=     2.384101     10.360219      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00017761751717
                2p
                   -1 :              -0.00005380239837
                   +0 :              -0.00005902838216
                   +1 :              -0.00001001645304
                3s
                   +0 :               0.00049899434641
                4s
                   +0 :              -0.00013280926522
                3p
                   -1 :               0.00025382145184
                   +0 :               0.00032442920229
                   +1 :               0.00009535376611
                4p
                   -1 :              -0.00004018438858
                   +0 :              -0.00007554022083
                   +1 :               0.00002578753502
                3d
                   -2 :               0.00003814707704
                   -1 :               0.00007881264553
                   +0 :              -0.00003400888122
                   +1 :               0.00002620025264
                   +2 :               0.00002800004219
              6 vec=    10.164264     -3.115418      9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00003849516085
                2p
                   -1 :               0.00015272435031
                   +0 :               0.00002330335750
                   +1 :               0.00006967617702
                3s
                   +0 :              -0.00012090896468
                4s
                   +0 :              -0.00001568430755
                3p
                   -1 :              -0.00093338165801
                   +0 :              -0.00019429202933
                   +1 :              -0.00027292616135
                4p
                   -1 :               0.00020037357664
                   +0 :               0.00006152910059
                   +1 :              -0.00001719924586
                3d
                   -2 :              -0.00018125436969
                   -1 :              -0.00019399013944
                   +0 :               0.00001052107174
                   +1 :              -0.00009458661678
                   +2 :              -0.00011762980605
              7 vec=     2.384101      1.376461    -14.784576   |vec|=   15.038692
                2s
                   +0 :              -0.00003824740334
                2p
                   -1 :              -0.00001334791716
                   +0 :               0.00000750024079
                   +1 :               0.00002102371429
                3s
                   +0 :               0.00018577038586
                4s
                   +0 :               0.00000265356016
                3p
                   -1 :               0.00006097918482
                   +0 :              -0.00010688610569
                   +1 :              -0.00020793031206
                4p
                   -1 :               0.00001187115985
                   +0 :              -0.00000286364180
                   +1 :               0.00004920726844
                3d
                   -2 :               0.00000484881675
                   -1 :              -0.00002121441077
                   +0 :               0.00000932596968
                   +1 :               0.00002466792372
                   +2 :              -0.00001378059264
              8 vec=    10.164264      5.868340      9.762967   |vec|=   15.266473
                2s
                   +0 :               0.00008504065185
                2p
                   -1 :               0.00003704197486
                   +0 :               0.00006052623286
                   +1 :               0.00002268977682
                3s
                   +0 :              -0.00038265431875
                4s
                   +0 :               0.00008271304423
                3p
                   -1 :              -0.00028060929713
                   +0 :              -0.00032910184665
                   +1 :              -0.00018707484262
                4p
                   -1 :               0.00010111633707
                   +0 :               0.00005073255817
                   +1 :               0.00000270693995
                3d
                   -2 :              -0.00007485998835
                   -1 :              -0.00007971334344
                   +0 :              -0.00000358481907
                   +1 :              -0.00012868734622
                   +2 :               0.00000457397206
              9 vec=    -5.396061     -3.115418    -14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00001100894938
                2p
                   -1 :              -0.00001360689372
                   +0 :               0.00000442299469
                   +1 :               0.00003044337523
                3s
                   +0 :              -0.00020677403542
                4s
                   +0 :              -0.00001488100959
                3p
                   -1 :               0.00007508154205
                   +0 :               0.00011951559992
                   +1 :              -0.00009593437494
                4p
                   -1 :              -0.00001263067889
                   +0 :               0.00000119087762
                   +1 :               0.00004253892323
                3d
                   -2 :               0.00003337756951
                   -1 :               0.00000265273034
                   +0 :              -0.00003539053242
                   +1 :              -0.00004444491349
                   +2 :              -0.00002610123692
             10 vec=   -13.176224      1.376461      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00005117604262
                2p
                   -1 :              -0.00001672417912
                   +0 :               0.00001209622193
                   +1 :              -0.00000804049718
                3s
                   +0 :               0.00014857408427
                4s
                   +0 :              -0.00002863629027
                3p
                   -1 :               0.00009808754288
                   +0 :              -0.00011511395511
                   +1 :               0.00002217703299
                4p
                   -1 :              -0.00003997494155
                   +0 :               0.00002536802775
                   +1 :              -0.00002585988483
                3d
                   -2 :              -0.00006850529454
                   -1 :               0.00000005219031
                   +0 :              -0.00003413927924
                   +1 :               0.00003482747411
                   +2 :              -0.00002047673944
             11 vec=    -5.396061    -12.099176      9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00002680742011
                2p
                   -1 :               0.00001080574652
                   +0 :               0.00000641335527
                   +1 :              -0.00000243019107
                3s
                   +0 :              -0.00027113489325
                4s
                   +0 :               0.00009925252437
                3p
                   -1 :               0.00007907957843
                   +0 :              -0.00011019558683
                   +1 :               0.00005171602782
                4p
                   -1 :              -0.00002925400948
                   +0 :               0.00004658063557
                   +1 :              -0.00003704589880
                3d
                   -2 :               0.00003706976273
                   -1 :               0.00001747767055
                   +0 :               0.00001301613506
                   +1 :              -0.00002356202036
                   +2 :               0.00002488718700
             12 vec=    -5.396061      5.868340    -14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00003165672995
                2p
                   -1 :              -0.00000698936967
                   +0 :               0.00001107376353
                   +1 :              -0.00001614612928
                3s
                   +0 :               0.00014842707137
                4s
                   +0 :               0.00001382543965
                3p
                   -1 :               0.00002758210777
                   +0 :              -0.00003642188574
                   +1 :               0.00009791368799
                4p
                   -1 :               0.00000570708062
                   +0 :              -0.00000378190737
                   +1 :              -0.00001372432957
                3d
                   -2 :               0.00003684254090
                   -1 :               0.00001851443777
                   +0 :              -0.00001571631996
                   +1 :              -0.00003160651578
                   +2 :              -0.00001471719645
             13 vec=     2.384101     -7.607297    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00007464664526
                2p
                   -1 :              -0.00001376460897
                   +0 :              -0.00000783514267
                   +1 :              -0.00000352690031
                3s
                   +0 :              -0.00025072479519
                4s
                   +0 :               0.00004348251414
                3p
                   -1 :               0.00008334839855
                   +0 :              -0.00001729549028
                   +1 :              -0.00001574048579
                4p
                   -1 :              -0.00003213208624
                   +0 :               0.00002505019076
                   +1 :              -0.00001341689118
                3d
                   -2 :               0.00003252787166
                   -1 :               0.00002125188671
                   +0 :               0.00006891289964
                   +1 :               0.00001858554207
                   +2 :               0.00000229193829
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al(  7)  npairs=  14
              1 vec=     2.384101      1.376461     -2.510804   |vec|=    3.725953
                2s
                   +0 :               0.01397920508264
                2p
                   -1 :               0.00369394488741
                   +0 :              -0.01139729927098
                   +1 :               0.01382064304432
                3s
                   +0 :               0.03884973823058
                4s
                   +0 :               0.00705478167141
                3p
                   -1 :              -0.00722326225905
                   +0 :              -0.03194485056071
                   +1 :               0.02125322135218
                4p
                   -1 :               0.00330927625620
                   +0 :              -0.00549626807495
                   +1 :               0.00822430458459
                3d
                   -2 :               0.00043023222147
                   -1 :               0.00183110955844
                   +0 :               0.01069299340429
                   +1 :              -0.02872449005476
                   +2 :               0.02156823747549
              2 vec=    -5.396061     -3.115418     -2.510804   |vec|=    6.717696
                2s
                   +0 :               0.00414200664223
                2p
                   -1 :              -0.00039993636296
                   +0 :              -0.00140585265302
                   +1 :              -0.00290273024820
                3s
                   +0 :              -0.01633820097605
                4s
                   +0 :               0.00928810598103
                3p
                   -1 :               0.00048916039984
                   +0 :               0.00729714711614
                   +1 :               0.01199073736971
                4p
                   -1 :              -0.00099391875559
                   +0 :              -0.00297079679129
                   +1 :              -0.00490965356405
                3d
                   -2 :              -0.00064107590531
                   -1 :               0.00061730341778
                   +0 :              -0.00081108031237
                   +1 :              -0.00223518662465
                   +2 :               0.00064798110636
              3 vec=    -5.396061      5.868340     -2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00036029706010
                2p
                   -1 :               0.00032647857241
                   +0 :               0.00012157000739
                   +1 :              -0.00053685071490
                3s
                   +0 :               0.00264150374053
                4s
                   +0 :               0.00053732471871
                3p
                   -1 :              -0.00276616126028
                   +0 :              -0.00468750903909
                   +1 :               0.00118498142224
                4p
                   -1 :               0.00048763459925
                   +0 :               0.00016940040473
                   +1 :              -0.00110909564500
                3d
                   -2 :               0.00114150412296
                   -1 :               0.00010645424926
                   +0 :               0.00235627043651
                   +1 :               0.00161524557659
                   +2 :               0.00033702374550
              4 vec=     2.384101     -7.607297     -2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00118247139950
                2p
                   -1 :              -0.00084617476058
                   +0 :              -0.00059073850396
                   +1 :              -0.00054811619797
                3s
                   +0 :              -0.00673035214542
                4s
                   +0 :              -0.00103951385471
                3p
                   -1 :               0.00296630658075
                   +0 :               0.00770645719159
                   +1 :               0.00801595117068
                4p
                   -1 :               0.00090531869958
                   +0 :              -0.00048509052904
                   +1 :              -0.00254369518618
                3d
                   -2 :              -0.00235544978360
                   -1 :              -0.00126685221833
                   +0 :              -0.00180455909693
                   +1 :              -0.00174517682768
                   +2 :              -0.00017628532067
              5 vec=     2.384101     10.360219     -2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00067927658339
                2p
                   -1 :               0.00028104885223
                   +0 :              -0.00002581982702
                   +1 :               0.00024574502195
                3s
                   +0 :              -0.00052292815664
                4s
                   +0 :              -0.00031433509240
                3p
                   -1 :               0.00029042552199
                   +0 :               0.00027845070795
                   +1 :              -0.00108370139070
                4p
                   -1 :              -0.00043540280300
                   +0 :               0.00000263143227
                   +1 :               0.00012368707730
                3d
                   -2 :              -0.00005526309303
                   -1 :              -0.00018454865772
                   +0 :               0.00011236660703
                   +1 :               0.00025723157781
                   +2 :              -0.00021732847327
              6 vec=    10.164264     -3.115418     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00027216880975
                2p
                   -1 :               0.00013464316208
                   +0 :               0.00000469522794
                   +1 :               0.00008570675602
                3s
                   +0 :               0.00037967469605
                4s
                   +0 :              -0.00037065746985
                3p
                   -1 :              -0.00057271352556
                   +0 :               0.00025757196510
                   +1 :              -0.00097723269323
                4p
                   -1 :               0.00015387067987
                   +0 :              -0.00004638173817
                   +1 :               0.00016780994344
                3d
                   -2 :              -0.00008870889826
                   -1 :              -0.00021774287546
                   +0 :              -0.00001825321527
                   +1 :               0.00009814740940
                   +2 :              -0.00033259956117
              7 vec=    10.164264      5.868340     -2.510804   |vec|=   12.002242
                2s
                   +0 :               0.00025301330016
                2p
                   -1 :               0.00002149883259
                   +0 :              -0.00001893686697
                   +1 :               0.00007049267974
                3s
                   +0 :              -0.00043563186882
                4s
                   +0 :               0.00022338216153
                3p
                   -1 :               0.00007494164168
                   +0 :              -0.00021529849040
                   +1 :              -0.00019778283051
                4p
                   -1 :               0.00013736829251
                   +0 :              -0.00005286150992
                   +1 :               0.00000117553809
                3d
                   -2 :               0.00041851573190
                   -1 :              -0.00016251827949
                   +0 :               0.00011713708719
                   +1 :              -0.00003160867644
                   +2 :              -0.00034074653770
              8 vec=   -13.176224      1.376461     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00007491326014
                2p
                   -1 :              -0.00002119270466
                   +0 :               0.00008352334413
                   +1 :               0.00002717358707
                3s
                   +0 :               0.00025574870617
                4s
                   +0 :              -0.00013533330212
                3p
                   -1 :               0.00005290849449
                   +0 :              -0.00035927296374
                   +1 :              -0.00019421616505
                4p
                   -1 :               0.00002445569031
                   +0 :               0.00013561810491
                   +1 :               0.00009598396608
                3d
                   -2 :              -0.00004595475540
                   -1 :               0.00003141909376
                   +0 :              -0.00001116924436
                   +1 :               0.00013523614271
                   +2 :               0.00007131187478
              9 vec=    -5.396061    -12.099176     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00005442918415
                2p
                   -1 :               0.00019842709132
                   +0 :               0.00024115234268
                   +1 :              -0.00034657673258
                3s
                   +0 :              -0.00053623540324
                4s
                   +0 :              -0.00009289636512
                3p
                   -1 :              -0.00047975684546
                   +0 :              -0.00015812638264
                   +1 :               0.00167284573987
                4p
                   -1 :               0.00024870091866
                   +0 :               0.00005586757465
                   +1 :              -0.00049142725756
                3d
                   -2 :              -0.00040563186740
                   -1 :              -0.00007137633187
                   +0 :              -0.00005802963925
                   +1 :               0.00006064171592
                   +2 :              -0.00020376930131
             10 vec=   -13.176224     -7.607297     -2.510804   |vec|=   15.420376
                2s
                   +0 :              -0.00004276203771
                2p
                   -1 :              -0.00000506270697
                   +0 :               0.00002139206099
                   +1 :               0.00002452963566
                3s
                   +0 :               0.00005707600566
                4s
                   +0 :               0.00001308976732
                3p
                   -1 :               0.00001909901759
                   +0 :              -0.00013223347558
                   +1 :              -0.00003055847411
                4p
                   -1 :               0.00000460899554
                   +0 :               0.00005863392668
                   +1 :              -0.00003581463702
                3d
                   -2 :              -0.00001094923286
                   -1 :               0.00000024688461
                   +0 :              -0.00002916699010
                   +1 :               0.00002056766764
                   +2 :              -0.00002161302857
             11 vec=    -5.396061     14.852098     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00000461003926
                2p
                   -1 :              -0.00002809498312
                   +0 :              -0.00005004906803
                   +1 :              -0.00001807745343
                3s
                   +0 :               0.00012438799356
                4s
                   +0 :              -0.00002499569413
                3p
                   -1 :               0.00013512216355
                   +0 :               0.00025794810713
                   +1 :               0.00013815201809
                4p
                   -1 :              -0.00004848691959
                   +0 :              -0.00006376914051
                   +1 :              -0.00003659889177
                3d
                   -2 :               0.00002393562364
                   -1 :               0.00004221525374
                   +0 :              -0.00000181188195
                   +1 :              -0.00000229610306
                   +2 :               0.00000354805874
             12 vec=    10.164264    -12.099176     -2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00001863782183
                2p
                   -1 :              -0.00003722488042
                   +0 :               0.00003541020130
                   +1 :               0.00004160758972
                3s
                   +0 :              -0.00002160611095
                4s
                   +0 :               0.00011356431315
                3p
                   -1 :               0.00016328862834
                   +0 :              -0.00020680744349
                   +1 :              -0.00018472276169
                4p
                   -1 :              -0.00007973461199
                   +0 :               0.00003788241361
                   +1 :               0.00008977396148
                3d
                   -2 :               0.00007118040939
                   -1 :               0.00008393497170
                   +0 :               0.00000633246294
                   +1 :               0.00005549095529
                   +2 :               0.00002039542152
             13 vec=   -13.176224     10.360219     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00005169959041
                2p
                   -1 :               0.00002953696687
                   +0 :              -0.00002427046209
                   +1 :              -0.00001794125022
                3s
                   +0 :              -0.00011850277081
                4s
                   +0 :               0.00005385363135
                3p
                   -1 :              -0.00011005987103
                   +0 :               0.00009665756682
                   +1 :               0.00009977772273
                4p
                   -1 :               0.00002716323750
                   +0 :              -0.00003270937087
                   +1 :              -0.00003312109443
                3d
                   -2 :              -0.00000626381698
                   -1 :              -0.00001351252034
                   +0 :               0.00000282521913
                   +1 :              -0.00003106430543
                   +2 :              -0.00000762672762
             14 vec=     2.384101    -16.591055     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00004207934856
                2p
                   -1 :              -0.00000567644706
                   +0 :               0.00000641948901
                   +1 :               0.00002440642049
                3s
                   +0 :              -0.00028444670794
                4s
                   +0 :               0.00012991343730
                3p
                   -1 :               0.00008695021961
                   +0 :               0.00005547478083
                   +1 :              -0.00009805287510
                4p
                   -1 :              -0.00004904851489
                   +0 :              -0.00002158079832
                   +1 :              -0.00000709034484
                3d
                   -2 :               0.00000648554577
                   -1 :              -0.00003186119660
                   +0 :              -0.00002091662956
                   +1 :              -0.00000610242373
                   +2 :               0.00002355270954
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al(  8)  npairs=  13
              1 vec=     2.384101      1.376461     -9.763130   |vec|=   10.143831
                2s
                   +0 :              -0.00002989963774
                2p
                   -1 :              -0.00000016948863
                   +0 :               0.00010352360407
                   +1 :              -0.00022765697746
                3s
                   +0 :              -0.00062044252851
                4s
                   +0 :               0.00023332337380
                3p
                   -1 :              -0.00055805645952
                   +0 :               0.00001545400484
                   +1 :               0.00070933190623
                4p
                   -1 :               0.00010083793715
                   +0 :              -0.00010151138165
                   +1 :              -0.00035082331210
                3d
                   -2 :               0.00005424803381
                   -1 :               0.00009015775175
                   +0 :               0.00005383466741
                   +1 :               0.00005085414730
                   +2 :               0.00031027390858
              2 vec=    -5.396061     -3.115418     -9.763130   |vec|=   11.581970
                2s
                   +0 :               0.00035124070528
                2p
                   -1 :               0.00018556691630
                   +0 :              -0.00010283140022
                   +1 :              -0.00045860640598
                3s
                   +0 :              -0.00139661248464
                4s
                   +0 :               0.00059118110816
                3p
                   -1 :              -0.00063829479423
                   +0 :               0.00070532496635
                   +1 :               0.00225336410735
                4p
                   -1 :               0.00005972795199
                   +0 :              -0.00034221640470
                   +1 :              -0.00056409708136
                3d
                   -2 :               0.00005373637015
                   -1 :               0.00023134697464
                   +0 :              -0.00002966610316
                   +1 :              -0.00039456909144
                   +2 :              -0.00012657766296
              3 vec=    -5.396061      5.868340     -9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00004064979312
                2p
                   -1 :               0.00013263520082
                   +0 :              -0.00000421104765
                   +1 :              -0.00005237782056
                3s
                   +0 :               0.00134603811943
                4s
                   +0 :              -0.00002445245400
                3p
                   -1 :               0.00027224100323
                   +0 :              -0.00029233424668
                   +1 :              -0.00087461634074
                4p
                   -1 :               0.00018137759667
                   +0 :               0.00001431354690
                   +1 :               0.00006270466725
                3d
                   -2 :              -0.00029252021838
                   -1 :              -0.00023358030702
                   +0 :              -0.00012637041748
                   +1 :               0.00017494828028
                   +2 :               0.00009218847499
              4 vec=     2.384101     -7.607297     -9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00000026979558
                2p
                   -1 :               0.00037067695745
                   +0 :               0.00011319309458
                   +1 :               0.00005639306356
                3s
                   +0 :              -0.00073105115139
                4s
                   +0 :              -0.00016658764285
                3p
                   -1 :              -0.00086241296297
                   +0 :              -0.00050931319485
                   +1 :              -0.00005078451293
                4p
                   -1 :               0.00033747492288
                   +0 :               0.00037510421991
                   +1 :              -0.00007470863537
                3d
                   -2 :              -0.00019898742596
                   -1 :               0.00010700243350
                   +0 :               0.00009110003052
                   +1 :              -0.00004735040561
                   +2 :               0.00020215431965
              5 vec=     2.384101     10.360219     -9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00004484834255
                2p
                   -1 :              -0.00008232029197
                   +0 :               0.00003815266854
                   +1 :              -0.00005444395879
                3s
                   +0 :               0.00028645426079
                4s
                   +0 :              -0.00014472832459
                3p
                   -1 :               0.00034208432441
                   +0 :              -0.00025889105233
                   +1 :               0.00030945048289
                4p
                   -1 :              -0.00010379371874
                   +0 :               0.00011922995768
                   +1 :              -0.00004057220611
                3d
                   -2 :               0.00004994573243
                   -1 :              -0.00005787935901
                   +0 :               0.00004173919290
                   +1 :              -0.00004006580450
                   +2 :              -0.00004206763282
              6 vec=    10.164264     -3.115418     -9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00000866054146
                2p
                   -1 :               0.00003240526760
                   +0 :               0.00000744817588
                   +1 :               0.00009804756098
                3s
                   +0 :              -0.00011312278628
                4s
                   +0 :               0.00007116939760
                3p
                   -1 :              -0.00012380868950
                   +0 :               0.00004381727488
                   +1 :              -0.00067994541479
                4p
                   -1 :              -0.00006000698335
                   +0 :              -0.00002634172567
                   +1 :               0.00016401555791
                3d
                   -2 :               0.00003411293320
                   -1 :               0.00008083842558
                   +0 :               0.00003920945989
                   +1 :               0.00014337784693
                   +2 :              -0.00017589734394
              7 vec=     2.384101      1.376461     14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00000458425585
                2p
                   -1 :              -0.00000519604983
                   +0 :              -0.00001632472662
                   +1 :              -0.00000424855634
                3s
                   +0 :               0.00007729067123
                4s
                   +0 :              -0.00003717721126
                3p
                   -1 :               0.00010220203391
                   +0 :               0.00013545033115
                   +1 :              -0.00000772113066
                4p
                   -1 :              -0.00001363108226
                   +0 :              -0.00004751435970
                   +1 :               0.00001746616899
                3d
                   -2 :              -0.00004729807420
                   -1 :               0.00003856256599
                   +0 :               0.00004922818204
                   +1 :              -0.00000103811153
                   +2 :               0.00005634869408
              8 vec=    10.164264      5.868340     -9.763130   |vec|=   15.266578
                2s
                   +0 :               0.00023309254499
                2p
                   -1 :               0.00000840359602
                   +0 :              -0.00009672958539
                   +1 :               0.00014700630549
                3s
                   +0 :              -0.00069526753817
                4s
                   +0 :               0.00015959308643
                3p
                   -1 :               0.00007918126474
                   +0 :               0.00041927877469
                   +1 :              -0.00067577653030
                4p
                   -1 :              -0.00005395402659
                   +0 :              -0.00009150177140
                   +1 :               0.00014578145029
                3d
                   -2 :              -0.00011770635455
                   -1 :               0.00009611989511
                   +0 :              -0.00001414145778
                   +1 :               0.00018210766792
                   +2 :              -0.00005879994448
              9 vec=    -5.396061     -3.115418     14.784412   |vec|=   16.043757
                2s
                   +0 :               0.00009138618329
                2p
                   -1 :              -0.00003719352905
                   +0 :               0.00001397137266
                   +1 :               0.00001087238895
                3s
                   +0 :              -0.00029261507321
                4s
                   +0 :               0.00008030627029
                3p
                   -1 :               0.00015311989765
                   +0 :              -0.00001391324022
                   +1 :              -0.00012351144912
                4p
                   -1 :              -0.00003058460636
                   +0 :              -0.00000887583702
                   +1 :               0.00001186417281
                3d
                   -2 :              -0.00003154464030
                   -1 :              -0.00000869529584
                   +0 :               0.00004688906929
                   +1 :              -0.00003983150956
                   +2 :              -0.00004720679795
             10 vec=   -13.176224      1.376461     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00000641202387
                2p
                   -1 :              -0.00000097605996
                   +0 :              -0.00001176929921
                   +1 :              -0.00001637978933
                3s
                   +0 :               0.00001727150622
                4s
                   +0 :              -0.00002979313926
                3p
                   -1 :              -0.00002673078058
                   +0 :               0.00006624118053
                   +1 :               0.00004023368447
                4p
                   -1 :               0.00001164832205
                   +0 :               0.00001247896234
                   +1 :               0.00001288316035
                3d
                   -2 :              -0.00000282690432
                   -1 :               0.00000575928516
                   +0 :              -0.00002244489194
                   +1 :              -0.00002430948115
                   +2 :              -0.00001168060298
             11 vec=    -5.396061    -12.099176     -9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00006677980557
                2p
                   -1 :               0.00010552836562
                   +0 :              -0.00000037464708
                   +1 :               0.00002305963320
                3s
                   +0 :               0.00012745482477
                4s
                   +0 :              -0.00008403446007
                3p
                   -1 :              -0.00039704237943
                   +0 :               0.00004378024211
                   +1 :              -0.00014130860944
                4p
                   -1 :               0.00008673560021
                   +0 :              -0.00001976359530
                   +1 :               0.00006965059876
                3d
                   -2 :               0.00006570366250
                   -1 :               0.00003011282312
                   +0 :               0.00000008545522
                   +1 :              -0.00001767733842
                   +2 :              -0.00001162709126
             12 vec=    -5.396061      5.868340     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00002772420249
                2p
                   -1 :               0.00001446574705
                   +0 :              -0.00000444015378
                   +1 :               0.00003429437589
                3s
                   +0 :               0.00005826824352
                4s
                   +0 :              -0.00001070904158
                3p
                   -1 :              -0.00020047153389
                   +0 :              -0.00011564807769
                   +1 :              -0.00019234236258
                4p
                   -1 :               0.00002273535118
                   +0 :               0.00001443687502
                   +1 :               0.00003596779684
                3d
                   -2 :               0.00004067303064
                   -1 :              -0.00006901494234
                   +0 :              -0.00008100390589
                   +1 :              -0.00000790032549
                   +2 :              -0.00000523023441
             13 vec=     2.384101     -7.607297     14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00014050707709
                2p
                   -1 :              -0.00000612855526
                   +0 :               0.00003576426858
                   +1 :               0.00001117426069
                3s
                   +0 :              -0.00050690711955
                4s
                   +0 :               0.00012362712120
                3p
                   -1 :               0.00006087268020
                   +0 :              -0.00014311036907
                   +1 :              -0.00014015215179
                4p
                   -1 :              -0.00001942167271
                   +0 :               0.00001935513060
                   +1 :               0.00001134489296
                3d
                   -2 :               0.00008181610365
                   -1 :               0.00001732763054
                   +0 :               0.00004840298155
                   +1 :              -0.00001129531321
                   +2 :              -0.00001191722490
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al(  9)  npairs=  15
              1 vec=    -0.209286     -3.115418     10.693319   |vec|=   11.139869
                2s
                   +0 :              -0.00076102205690
                2p
                   -1 :               0.00001558327111
                   +0 :              -0.00025186539762
                   +1 :              -0.00016238269477
                3s
                   +0 :               0.00231067243324
                4s
                   +0 :              -0.00052986201279
                3p
                   -1 :              -0.00097422168545
                   +0 :               0.00120101071368
                   +1 :               0.00075863277241
                4p
                   -1 :               0.00004470250923
                   +0 :              -0.00025295972540
                   +1 :              -0.00009732145388
                3d
                   -2 :               0.00014139750171
                   -1 :              -0.00038639674966
                   +0 :              -0.00031029156172
                   +1 :               0.00020504805461
                   +2 :              -0.00005523754050
              2 vec=    -0.209286      5.868340     10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00002554005360
                2p
                   -1 :               0.00004464569057
                   +0 :               0.00004494002142
                   +1 :               0.00012851612709
                3s
                   +0 :               0.00041686630022
                4s
                   +0 :              -0.00014335327771
                3p
                   -1 :              -0.00014915424437
                   +0 :              -0.00015668710625
                   +1 :              -0.00059868536489
                4p
                   -1 :               0.00002548176171
                   +0 :              -0.00002354493967
                   +1 :               0.00023628389171
                3d
                   -2 :               0.00003705365956
                   -1 :              -0.00011032661879
                   +0 :              -0.00028910711272
                   +1 :              -0.00007388004352
                   +2 :               0.00027732392056
              3 vec=     7.570876      1.376461     10.693319   |vec|=   13.174213
                2s
                   +0 :              -0.00024187314241
                2p
                   -1 :               0.00003653118021
                   +0 :              -0.00014619393720
                   +1 :              -0.00027321510935
                3s
                   +0 :              -0.00023990305561
                4s
                   +0 :              -0.00007395388028
                3p
                   -1 :              -0.00066354351913
                   +0 :              -0.00010260137365
                   +1 :               0.00053561236620
                4p
                   -1 :               0.00018065865542
                   +0 :              -0.00008519701093
                   +1 :              -0.00017387912930
                3d
                   -2 :              -0.00021047364060
                   -1 :              -0.00018108102241
                   +0 :               0.00003999100195
                   +1 :               0.00000005748414
                   +2 :               0.00006806213225
              4 vec=    -7.989449      1.376461     10.693319   |vec|=   13.419128
                2s
                   +0 :               0.00001488756352
                2p
                   -1 :              -0.00018204647455
                   +0 :              -0.00006699571665
                   +1 :               0.00007654346198
                3s
                   +0 :              -0.00075342619328
                4s
                   +0 :              -0.00000047433976
                3p
                   -1 :               0.00056803877185
                   +0 :              -0.00010869395083
                   +1 :               0.00033042643619
                4p
                   -1 :              -0.00017354006584
                   +0 :              -0.00016378896197
                   +1 :              -0.00000161077628
                3d
                   -2 :               0.00012779065143
                   -1 :               0.00012728655200
                   +0 :               0.00017636331001
                   +1 :               0.00014761162614
                   +2 :              -0.00017583015357
              5 vec=    -0.209286     -3.115418    -13.854224   |vec|=   14.201730
                2s
                   +0 :              -0.00009573700652
                2p
                   -1 :               0.00005604383444
                   +0 :              -0.00000543903594
                   +1 :              -0.00000310039903
                3s
                   +0 :               0.00014907638260
                4s
                   +0 :              -0.00002144201682
                3p
                   -1 :              -0.00032444798623
                   +0 :               0.00006244131339
                   +1 :              -0.00006660812063
                4p
                   -1 :               0.00006319069380
                   +0 :              -0.00005408807075
                   +1 :               0.00000653500572
                3d
                   -2 :              -0.00000212486519
                   -1 :              -0.00004785564500
                   +0 :               0.00000775252215
                   +1 :               0.00003632420640
                   +2 :              -0.00001876755268
              6 vec=    -0.209286      5.868340    -13.854224   |vec|=   15.047283
                2s
                   +0 :               0.00001756279379
                2p
                   -1 :               0.00000325096096
                   +0 :               0.00000467950637
                   +1 :               0.00001472349927
                3s
                   +0 :               0.00004254855536
                4s
                   +0 :              -0.00002477456258
                3p
                   -1 :              -0.00010984632612
                   +0 :              -0.00001017998947
                   +1 :              -0.00005819177282
                4p
                   -1 :              -0.00001611275022
                   +0 :               0.00002337771757
                   +1 :               0.00000307287583
                3d
                   -2 :              -0.00002244513743
                   -1 :               0.00000082547527
                   +0 :              -0.00001891656811
                   +1 :               0.00002091954346
                   +2 :               0.00002638886893
              7 vec=     7.570876     -7.607297     10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00007326084234
                2p
                   -1 :               0.00003709304161
                   +0 :              -0.00007233234717
                   +1 :              -0.00002545526565
                3s
                   +0 :               0.00043672005614
                4s
                   +0 :              -0.00021926108620
                3p
                   -1 :              -0.00023266195991
                   +0 :               0.00045330208375
                   +1 :               0.00030113456577
                4p
                   -1 :               0.00007125234715
                   +0 :              -0.00012166764299
                   +1 :              -0.00010297681575
                3d
                   -2 :              -0.00007264855273
                   -1 :              -0.00006012898706
                   +0 :               0.00007620121310
                   +1 :               0.00009985213943
                   +2 :               0.00002319456149
              8 vec=    -7.989449     -7.607297     10.693319   |vec|=   15.363897
                2s
                   +0 :               0.00008796818088
                2p
                   -1 :              -0.00001513837894
                   +0 :               0.00000117821693
                   +1 :               0.00000938040341
                3s
                   +0 :              -0.00023400743261
                4s
                   +0 :              -0.00002071992069
                3p
                   -1 :              -0.00000907643402
                   +0 :               0.00001519449969
                   +1 :              -0.00019247061770
                4p
                   -1 :               0.00005931266221
                   +0 :              -0.00002540166452
                   +1 :               0.00010068902911
                3d
                   -2 :               0.00005010725696
                   -1 :              -0.00003309031935
                   +0 :              -0.00001811708968
                   +1 :              -0.00002449276189
                   +2 :               0.00003437466878
              9 vec=     7.570876      1.376461    -13.854224   |vec|=   15.847786
                2s
                   +0 :               0.00001862908019
                2p
                   -1 :              -0.00000084364719
                   +0 :              -0.00005384078842
                   +1 :              -0.00001955149080
                3s
                   +0 :              -0.00001633182283
                4s
                   +0 :               0.00006563674487
                3p
                   -1 :              -0.00002940732431
                   +0 :               0.00034063264690
                   +1 :               0.00022217439873
                4p
                   -1 :              -0.00000293268093
                   +0 :              -0.00012165881301
                   +1 :              -0.00000197933731
                3d
                   -2 :              -0.00000953848697
                   -1 :               0.00000534639868
                   +0 :              -0.00009053543156
                   +1 :              -0.00002129171452
                   +2 :               0.00002542741990
             10 vec=    -7.989449      1.376461    -13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00007742027244
                2p
                   -1 :               0.00005275851520
                   +0 :              -0.00002249711723
                   +1 :               0.00000373200465
                3s
                   +0 :              -0.00009637709440
                4s
                   +0 :               0.00006684510420
                3p
                   -1 :              -0.00035992989976
                   +0 :               0.00008356525665
                   +1 :              -0.00016981778626
                4p
                   -1 :               0.00004251040016
                   +0 :              -0.00001783661666
                   +1 :               0.00003120289393
                3d
                   -2 :               0.00002904394965
                   -1 :              -0.00000397853073
                   +0 :              -0.00006463925266
                   +1 :              -0.00001493379916
                   +2 :               0.00003496464491
             11 vec=    -0.209286    -12.099176     10.693319   |vec|=   16.148712
                2s
                   +0 :              -0.00032231240425
                2p
                   -1 :               0.00014055261761
                   +0 :              -0.00012947856167
                   +1 :               0.00002168796610
                3s
                   +0 :               0.00104968062099
                4s
                   +0 :              -0.00034279636464
                3p
                   -1 :              -0.00060950007516
                   +0 :               0.00060229845054
                   +1 :              -0.00011175945147
                4p
                   -1 :               0.00011443552252
                   +0 :              -0.00017922360355
                   +1 :               0.00002283979576
                3d
                   -2 :               0.00004140329116
                   -1 :              -0.00013802567995
                   +0 :               0.00005475250490
                   +1 :              -0.00001333296318
                   +2 :              -0.00001945798841
             12 vec=     7.570876     10.360219     10.693319   |vec|=   16.703274
                2s
                   +0 :              -0.00000199022381
                2p
                   -1 :               0.00000441333923
                   +0 :               0.00001861561559
                   +1 :               0.00001170314746
                3s
                   +0 :               0.00011137803439
                4s
                   +0 :               0.00003442770460
                3p
                   -1 :              -0.00001105473643
                   +0 :              -0.00000322215130
                   +1 :              -0.00000517793559
                4p
                   -1 :               0.00001487811565
                   +0 :               0.00004504255817
                   +1 :               0.00002458353737
                3d
                   -2 :               0.00002622863764
                   -1 :               0.00002200181723
                   +0 :              -0.00001115951310
                   +1 :               0.00000317359616
                   +2 :               0.00004140255189
             13 vec=    -7.989449     10.360219     10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00013361753048
                2p
                   -1 :              -0.00003057333061
                   +0 :              -0.00004123108146
                   +1 :               0.00004971916977
                3s
                   +0 :               0.00046985197876
                4s
                   +0 :              -0.00010956564293
                3p
                   -1 :               0.00011662675995
                   +0 :               0.00026226916595
                   +1 :              -0.00022606024013
                4p
                   -1 :              -0.00001279718404
                   +0 :              -0.00003537100673
                   +1 :               0.00003650264509
                3d
                   -2 :              -0.00003533145873
                   -1 :               0.00002158161969
                   +0 :               0.00004175979336
                   +1 :              -0.00004856854910
                   +2 :              -0.00001566449261
             14 vec=     7.570876     -7.607297    -13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00006286683756
                2p
                   -1 :              -0.00002160386330
                   +0 :              -0.00000565396319
                   +1 :               0.00001380852218
                3s
                   +0 :              -0.00026448197056
                4s
                   +0 :               0.00006494620788
                3p
                   -1 :               0.00014267032559
                   +0 :               0.00003794777779
                   +1 :              -0.00009119547720
                4p
                   -1 :              -0.00002071527197
                   +0 :               0.00000440748603
                   +1 :               0.00001968941385
                3d
                   -2 :               0.00002950425498
                   -1 :              -0.00003471219094
                   +0 :               0.00002932991589
                   +1 :               0.00001008391056
                   +2 :               0.00000368298687
             15 vec=    -7.989449     -7.607297    -13.854224   |vec|=   17.709934
                2s
                   +0 :              -0.00006174421925
                2p
                   -1 :               0.00001698781024
                   +0 :               0.00000441796366
                   +1 :               0.00003714955357
                3s
                   +0 :               0.00012163837452
                4s
                   +0 :              -0.00004962561274
                3p
                   -1 :              -0.00007025198800
                   +0 :               0.00003001918250
                   +1 :              -0.00017187646508
                4p
                   -1 :               0.00001310885330
                   +0 :              -0.00001722071807
                   +1 :               0.00003569324081
                3d
                   -2 :               0.00001613812200
                   -1 :              -0.00000231343723
                   +0 :              -0.00001424624480
                   +1 :               0.00001888710466
                   +2 :               0.00000753542397
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al( 10)  npairs=  13
              1 vec=    -0.209286     -3.115418     -6.601898   |vec|=    7.303060
                2s
                   +0 :               0.00136125267864
                2p
                   -1 :              -0.00027467718999
                   +0 :              -0.00123622567865
                   +1 :               0.00004755978000
                3s
                   +0 :              -0.00442880265288
                4s
                   +0 :               0.00249316064227
                3p
                   -1 :               0.00228507768301
                   +0 :               0.00135335766345
                   +1 :              -0.00056031311319
                4p
                   -1 :              -0.00108670907804
                   +0 :              -0.00134815895198
                   +1 :               0.00038214899316
                3d
                   -2 :              -0.00081896878036
                   -1 :               0.00133597031917
                   +0 :               0.00107724046215
                   +1 :              -0.00023324646200
                   +2 :              -0.00018321982161
              2 vec=    -0.209286      5.868340     -6.601898   |vec|=    8.835512
                2s
                   +0 :              -0.00178552259172
                2p
                   -1 :               0.00001704199901
                   +0 :               0.00033581149379
                   +1 :               0.00003209496526
                3s
                   +0 :               0.01677752298657
                4s
                   +0 :              -0.00216796893958
                3p
                   -1 :               0.00669492398975
                   +0 :              -0.00923626086319
                   +1 :              -0.00043060782571
                4p
                   -1 :               0.00040422006935
                   +0 :               0.00061497403387
                   +1 :               0.00002291312910
                3d
                   -2 :               0.00046087243164
                   -1 :              -0.00305793314425
                   +0 :               0.00086512080873
                   +1 :               0.00000828798083
                   +2 :              -0.00221011234486
              3 vec=     7.570876      1.376461     -6.601898   |vec|=   10.138928
                2s
                   +0 :              -0.00137133716397
                2p
                   -1 :              -0.00027454628990
                   +0 :               0.00044672829568
                   +1 :              -0.00077042245170
                3s
                   +0 :               0.00614273489328
                4s
                   +0 :              -0.00268740637180
                3p
                   -1 :               0.00143913616570
                   +0 :              -0.00349338465800
                   +1 :               0.00459056417627
                4p
                   -1 :              -0.00047438238397
                   +0 :               0.00104352180392
                   +1 :              -0.00154282190401
                3d
                   -2 :               0.00032777202554
                   -1 :              -0.00030330643871
                   +0 :              -0.00024394749267
                   +1 :              -0.00084625330730
                   +2 :               0.00073053857978
              4 vec=    -7.989449      1.376461     -6.601898   |vec|=   10.455190
                2s
                   +0 :              -0.00040228194689
                2p
                   -1 :               0.00005207495376
                   +0 :              -0.00003071983090
                   +1 :               0.00033245613212
                3s
                   +0 :               0.00182421720611
                4s
                   +0 :              -0.00075362475109
                3p
                   -1 :              -0.00025102130887
                   +0 :              -0.00070932769363
                   +1 :              -0.00216798933686
                4p
                   -1 :              -0.00001388421662
                   +0 :               0.00020464623313
                   +1 :               0.00066844830228
                3d
                   -2 :              -0.00002238135559
                   -1 :               0.00048242551857
                   +0 :              -0.00030377336364
                   +1 :               0.00052262090451
                   +2 :               0.00036867656291
              5 vec=     7.570876     -7.607297     -6.601898   |vec|=   12.600563
                2s
                   +0 :               0.00004256469970
                2p
                   -1 :               0.00014328279150
                   +0 :              -0.00009315376183
                   +1 :              -0.00013085224822
                3s
                   +0 :              -0.00115334152384
                4s
                   +0 :               0.00041601370151
                3p
                   -1 :              -0.00054388313921
                   +0 :               0.00106543398850
                   +1 :               0.00006676860500
                4p
                   -1 :               0.00022658742336
                   +0 :              -0.00022296521338
                   +1 :              -0.00003475768990
                3d
                   -2 :               0.00003431953548
                   -1 :              -0.00006165108433
                   +0 :              -0.00017835107896
                   +1 :               0.00017971042327
                   +2 :               0.00002271936875
              6 vec=    -7.989449     -7.607297     -6.601898   |vec|=   12.856411
                2s
                   +0 :               0.00021769448993
                2p
                   -1 :              -0.00000171542131
                   +0 :               0.00009754435625
                   +1 :               0.00007573141442
                3s
                   +0 :              -0.00152369440358
                4s
                   +0 :               0.00018976322825
                3p
                   -1 :               0.00028870287024
                   +0 :               0.00023090469281
                   +1 :               0.00009639192701
                4p
                   -1 :              -0.00003593326958
                   +0 :               0.00000662935300
                   +1 :               0.00014322187457
                3d
                   -2 :              -0.00023010493149
                   -1 :              -0.00000991564872
                   +0 :               0.00010222767279
                   +1 :              -0.00006633017611
                   +2 :              -0.00003147620308
              7 vec=    -0.209286    -12.099176     -6.601898   |vec|=   13.784734
                2s
                   +0 :               0.00008734168504
                2p
                   -1 :              -0.00016128038015
                   +0 :               0.00004249637397
                   +1 :              -0.00021913771491
                3s
                   +0 :              -0.00092383843772
                4s
                   +0 :               0.00058100005573
                3p
                   -1 :               0.00141493774031
                   +0 :              -0.00001701857973
                   +1 :               0.00084311891597
                4p
                   -1 :              -0.00061637209687
                   +0 :              -0.00011398351755
                   +1 :              -0.00014482158820
                3d
                   -2 :               0.00010296239412
                   -1 :              -0.00000181228080
                   +0 :               0.00008323943581
                   +1 :               0.00002689693807
                   +2 :               0.00018345321347
              8 vec=     7.570876     10.360219     -6.601898   |vec|=   14.430432
                2s
                   +0 :              -0.00021865757654
                2p
                   -1 :              -0.00007811088732
                   +0 :               0.00014184221665
                   +1 :               0.00006375831240
                3s
                   +0 :               0.00090719728706
                4s
                   +0 :              -0.00017425190532
                3p
                   -1 :               0.00032335033916
                   +0 :              -0.00070590877447
                   +1 :              -0.00028426991977
                4p
                   -1 :              -0.00003590532756
                   +0 :               0.00010665318001
                   +1 :               0.00016482436579
                3d
                   -2 :              -0.00009051360271
                   -1 :              -0.00014866371052
                   +0 :               0.00006292609005
                   +1 :               0.00001873281073
                   +2 :               0.00001619039554
              9 vec=    -7.989449     10.360219     -6.601898   |vec|=   14.654368
                2s
                   +0 :               0.00009956728886
                2p
                   -1 :               0.00006617594518
                   +0 :              -0.00002977191173
                   +1 :               0.00001801294741
                3s
                   +0 :              -0.00016970880477
                4s
                   +0 :              -0.00002758978258
                3p
                   -1 :              -0.00034303169008
                   +0 :               0.00007404486340
                   +1 :              -0.00017957773302
                4p
                   -1 :               0.00004762089901
                   +0 :               0.00001833663121
                   +1 :               0.00005775945849
                3d
                   -2 :              -0.00001819880577
                   -1 :               0.00008921503047
                   +0 :               0.00002864688097
                   +1 :               0.00003933964942
                   +2 :               0.00004450864368
             10 vec=    -0.209286     14.852098     -6.601898   |vec|=   16.254651
                2s
                   +0 :              -0.00015906857848
                2p
                   -1 :              -0.00005812210875
                   +0 :               0.00006728884240
                   +1 :               0.00002344599781
                3s
                   +0 :               0.00055144853752
                4s
                   +0 :              -0.00008525498232
                3p
                   -1 :               0.00020860367287
                   +0 :              -0.00030307839354
                   +1 :              -0.00013056642905
                4p
                   -1 :               0.00000519670581
                   +0 :               0.00006515737061
                   +1 :               0.00005006170817
                3d
                   -2 :              -0.00002332989893
                   -1 :              -0.00006023512373
                   +0 :               0.00002794693433
                   +1 :              -0.00001814212352
                   +2 :              -0.00000644945520
             11 vec=    15.351039     -3.115418     -6.601898   |vec|=   16.998390
                2s
                   +0 :               0.00003158022414
                2p
                   -1 :              -0.00002729014818
                   +0 :              -0.00001673251992
                   +1 :               0.00001342358937
                3s
                   +0 :              -0.00013395747096
                4s
                   +0 :               0.00004871203395
                3p
                   -1 :               0.00013421919248
                   +0 :               0.00007860302937
                   +1 :              -0.00008434629374
                4p
                   -1 :              -0.00003127320967
                   +0 :              -0.00001193072290
                   +1 :               0.00002160366292
                3d
                   -2 :               0.00002873573056
                   -1 :              -0.00002118552465
                   +0 :               0.00001505727987
                   +1 :               0.00000857329731
                   +2 :               0.00005316416604
             12 vec=   -15.769612     -3.115418     -6.601898   |vec|=   17.377328
                2s
                   +0 :               0.00005190126366
                2p
                   -1 :              -0.00001813038864
                   +0 :              -0.00003182733386
                   +1 :              -0.00000683361841
                3s
                   +0 :              -0.00022519500728
                4s
                   +0 :               0.00006535005091
                3p
                   -1 :               0.00007329978712
                   +0 :               0.00018331946159
                   +1 :               0.00004290847074
                4p
                   -1 :              -0.00002287127679
                   +0 :              -0.00003889869589
                   +1 :              -0.00000054003090
                3d
                   -2 :              -0.00001586593747
                   -1 :              -0.00002110088750
                   +0 :              -0.00001757135334
                   +1 :              -0.00003883414935
                   +2 :               0.00001527307957
             13 vec=    15.351039      5.868340     -6.601898   |vec|=   17.710925
                2s
                   +0 :              -0.00002893775033
                2p
                   -1 :              -0.00001248778853
                   +0 :              -0.00000746727645
                   +1 :              -0.00000752421391
                3s
                   +0 :               0.00017871427557
                4s
                   +0 :              -0.00007703382694
                3p
                   -1 :               0.00013685522780
                   +0 :               0.00000462899410
                   +1 :               0.00007556888312
                4p
                   -1 :              -0.00006784296283
                   +0 :               0.00000883341040
                   +1 :              -0.00002496191904
                3d
                   -2 :               0.00001808418690
                   -1 :               0.00001065824275
                   +0 :               0.00000176515001
                   +1 :               0.00001978939222
                   +2 :               0.00000080642651
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al( 11)  npairs=  14
              1 vec=    -0.209286     -3.115418      5.671873   |vec|=    6.474548
                2s
                   +0 :               0.00235266519956
                2p
                   -1 :              -0.00073479722942
                   +0 :               0.00186218539761
                   +1 :              -0.00035091746639
                3s
                   +0 :              -0.00645158678215
                4s
                   +0 :               0.00428295904610
                3p
                   -1 :               0.00298419718632
                   +0 :              -0.01282218489168
                   +1 :               0.00128605854585
                4p
                   -1 :              -0.00079564944972
                   +0 :               0.00538660714140
                   +1 :              -0.00014929665626
                3d
                   -2 :              -0.00042720891493
                   -1 :               0.00167515070240
                   +0 :              -0.00351047201081
                   +1 :              -0.00032237529853
                   +2 :               0.00172915827098
              2 vec=    -0.209286      5.868340      5.671873   |vec|=    8.164029
                2s
                   +0 :               0.00029705622609
                2p
                   -1 :               0.00007602096630
                   +0 :              -0.00055183623063
                   +1 :               0.00015680168792
                3s
                   +0 :               0.00503524972284
                4s
                   +0 :               0.00017553244520
                3p
                   -1 :               0.00343201971672
                   +0 :               0.00088179751999
                   +1 :              -0.00029401812110
                4p
                   -1 :               0.00037658147174
                   +0 :              -0.00061365494438
                   +1 :              -0.00005530484481
                3d
                   -2 :               0.00050290415997
                   -1 :              -0.00047727134926
                   +0 :              -0.00190674204995
                   +1 :               0.00001208782788
                   +2 :              -0.00176506133510
              3 vec=     7.570876      1.376461      5.671873   |vec|=    9.559444
                2s
                   +0 :              -0.00041343399647
                2p
                   -1 :               0.00002362236732
                   +0 :              -0.00024500965056
                   +1 :              -0.00083930513510
                3s
                   +0 :               0.00206175300541
                4s
                   +0 :              -0.00090697301188
                3p
                   -1 :               0.00118776742015
                   +0 :               0.00087695337668
                   +1 :               0.00460870943417
                4p
                   -1 :              -0.00062780325516
                   +0 :              -0.00017400917090
                   +1 :              -0.00128646292433
                3d
                   -2 :              -0.00000787727565
                   -1 :               0.00027136462842
                   +0 :              -0.00013333607232
                   +1 :               0.00063312189982
                   +2 :               0.00063222727439
              4 vec=    -7.989449      1.376461      5.671873   |vec|=    9.894245
                2s
                   +0 :               0.00010010757790
                2p
                   -1 :              -0.00063693992925
                   +0 :              -0.00042133593642
                   +1 :               0.00003032503172
                3s
                   +0 :               0.00002542191692
                4s
                   +0 :              -0.00024789867543
                3p
                   -1 :               0.00295722218060
                   +0 :               0.00228964783361
                   +1 :              -0.00060639149228
                4p
                   -1 :              -0.00060033318414
                   +0 :              -0.00081727197859
                   +1 :               0.00054057353520
                3d
                   -2 :              -0.00023074289457
                   -1 :               0.00012704652051
                   +0 :               0.00029126354955
                   +1 :              -0.00059865360640
                   +2 :               0.00018101170406
              5 vec=     7.570876     -7.607297      5.671873   |vec|=   12.139163
                2s
                   +0 :              -0.00025609628695
                2p
                   -1 :              -0.00000220230906
                   +0 :              -0.00003416643600
                   +1 :              -0.00021197041543
                3s
                   +0 :               0.00052991481635
                4s
                   +0 :              -0.00018638171120
                3p
                   -1 :               0.00024116166057
                   +0 :               0.00024108177564
                   +1 :               0.00083985075502
                4p
                   -1 :              -0.00013576664568
                   +0 :              -0.00012197466010
                   +1 :              -0.00022161772580
                3d
                   -2 :               0.00001290632505
                   -1 :               0.00002299781405
                   +0 :              -0.00002296936770
                   +1 :               0.00019643305813
                   +2 :               0.00013963650873
              6 vec=    -7.989449     -7.607297      5.671873   |vec|=   12.404532
                2s
                   +0 :              -0.00002545127795
                2p
                   -1 :               0.00012285819827
                   +0 :               0.00002448412762
                   +1 :              -0.00010053567895
                3s
                   +0 :              -0.00037333694844
                4s
                   +0 :              -0.00014391825346
                3p
                   -1 :              -0.00042759652607
                   +0 :              -0.00005969528420
                   +1 :               0.00094626762249
                4p
                   -1 :               0.00022152159903
                   +0 :              -0.00003181426379
                   +1 :              -0.00007415457699
                3d
                   -2 :              -0.00022356810025
                   -1 :              -0.00005018575452
                   +0 :               0.00008880943849
                   +1 :               0.00009314309209
                   +2 :              -0.00017017322804
              7 vec=    -0.209286    -12.099176      5.671873   |vec|=   13.364281
                2s
                   +0 :              -0.00020958725246
                2p
                   -1 :               0.00002392217053
                   +0 :               0.00001349300384
                   +1 :               0.00003808771948
                3s
                   +0 :               0.00070631452726
                4s
                   +0 :              -0.00023384269303
                3p
                   -1 :              -0.00028758681297
                   +0 :              -0.00001100740729
                   +1 :              -0.00020415251267
                4p
                   -1 :               0.00013552385155
                   +0 :               0.00003941581523
                   +1 :               0.00003923697194
                3d
                   -2 :              -0.00000326868018
                   -1 :               0.00002319899771
                   +0 :              -0.00010173209761
                   +1 :               0.00011830512288
                   +2 :               0.00009034749270
              8 vec=     7.570876     10.360219      5.671873   |vec|=   14.029343
                2s
                   +0 :               0.00000908030431
                2p
                   -1 :               0.00003655448544
                   +0 :               0.00000964837427
                   +1 :               0.00009732975566
                3s
                   +0 :               0.00025793244213
                4s
                   +0 :              -0.00009437255120
                3p
                   -1 :               0.00009187245333
                   +0 :              -0.00000482757113
                   +1 :              -0.00049939554354
                4p
                   -1 :              -0.00002718566600
                   +0 :              -0.00001407695247
                   +1 :               0.00012092077940
                3d
                   -2 :              -0.00008523871833
                   -1 :              -0.00004639951159
                   +0 :               0.00001422564763
                   +1 :              -0.00016133584697
                   +2 :              -0.00006006172664
              9 vec=    -7.989449     10.360219      5.671873   |vec|=   14.259579
                2s
                   +0 :              -0.00003765805757
                2p
                   -1 :               0.00007646660362
                   +0 :               0.00005212535312
                   +1 :              -0.00004947705964
                3s
                   +0 :               0.00017424415865
                4s
                   +0 :              -0.00006930664137
                3p
                   -1 :              -0.00043034693918
                   +0 :              -0.00019792723740
                   +1 :               0.00019391521627
                4p
                   -1 :               0.00009247651101
                   +0 :               0.00000411993530
                   +1 :              -0.00001734173635
                3d
                   -2 :               0.00012486142404
                   -1 :              -0.00005164619315
                   +0 :               0.00006561604049
                   +1 :               0.00016468536577
                   +2 :               0.00011715558963
             10 vec=    -0.209286     14.852098      5.671873   |vec|=   15.899647
                2s
                   +0 :               0.00017827266220
                2p
                   -1 :               0.00014321691068
                   +0 :               0.00000360673817
                   +1 :               0.00001290731677
                3s
                   +0 :              -0.00053282989421
                4s
                   +0 :               0.00017702658703
                3p
                   -1 :              -0.00070615846736
                   +0 :               0.00011027153257
                   +1 :              -0.00007106749973
                4p
                   -1 :               0.00016197009071
                   +0 :              -0.00007362384682
                   +1 :               0.00002807308069
                3d
                   -2 :              -0.00003200203063
                   -1 :              -0.00005115548363
                   +0 :               0.00008497462233
                   +1 :              -0.00000266269326
                   +2 :               0.00014369629460
             11 vec=    15.351039     -3.115418      5.671873   |vec|=   16.659243
                2s
                   +0 :              -0.00001138750421
                2p
                   -1 :              -0.00002157154722
                   +0 :               0.00003757386266
                   +1 :               0.00003339957450
                3s
                   +0 :              -0.00002926548274
                4s
                   +0 :              -0.00002211363878
                3p
                   -1 :               0.00015472425968
                   +0 :              -0.00019726431013
                   +1 :              -0.00018843424809
                4p
                   -1 :              -0.00003917891665
                   +0 :               0.00003476443537
                   +1 :               0.00002677056164
                3d
                   -2 :               0.00005299057387
                   -1 :               0.00001539909471
                   +0 :               0.00001041120980
                   +1 :              -0.00006121212206
                   +2 :              -0.00004264364883
             12 vec=   -15.769612     -3.115418      5.671873   |vec|=   17.045722
                2s
                   +0 :               0.00003302786080
                2p
                   -1 :               0.00001836340684
                   +0 :               0.00001389777649
                   +1 :              -0.00002922614357
                3s
                   +0 :              -0.00021253047787
                4s
                   +0 :               0.00004367253605
                3p
                   -1 :              -0.00008544216364
                   +0 :              -0.00011108655938
                   +1 :               0.00020128484969
                4p
                   -1 :               0.00004540977134
                   +0 :               0.00002410540213
                   +1 :              -0.00004807943045
                3d
                   -2 :              -0.00003459492578
                   -1 :               0.00001748538731
                   +0 :              -0.00001587776535
                   +1 :               0.00005313636484
                   +2 :              -0.00001434132978
             13 vec=    15.351039      5.868340      5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00001079170584
                2p
                   -1 :              -0.00001649597169
                   +0 :              -0.00001121413560
                   +1 :               0.00000014054397
                3s
                   +0 :               0.00004957495691
                4s
                   +0 :              -0.00004603697249
                3p
                   -1 :               0.00009710394199
                   +0 :               0.00007171498087
                   +1 :               0.00004414781710
                4p
                   -1 :              -0.00004726732843
                   +0 :              -0.00002096773643
                   +1 :              -0.00002342271012
                3d
                   -2 :               0.00000532913872
                   -1 :               0.00000031095178
                   +0 :               0.00002055191212
                   +1 :               0.00000936912315
                   +2 :              -0.00000712805270
             14 vec=   -15.769612      5.868340      5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00000647239297
                2p
                   -1 :              -0.00001319971678
                   +0 :              -0.00000955881603
                   +1 :              -0.00000655381572
                3s
                   +0 :               0.00006465694486
                4s
                   +0 :              -0.00003984107081
                3p
                   -1 :               0.00003491972029
                   +0 :               0.00002255564510
                   +1 :              -0.00005982789355
                4p
                   -1 :               0.00000025549329
                   +0 :               0.00000841825789
                   +1 :               0.00003362471574
                3d
                   -2 :               0.00000831094669
                   -1 :               0.00001782062637
                   +0 :              -0.00000596966861
                   +1 :               0.00000724276522
                   +2 :              -0.00000191686728
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site Al( 12)  npairs=  14
              1 vec=    -0.209286     -3.115418     -1.580453   |vec|=    3.499637
                2s
                   +0 :              -0.04514714445076
                2p
                   -1 :               0.04240178357721
                   +0 :               0.02829804243885
                   +1 :               0.00172466799401
                3s
                   +0 :              -0.10342900870728
                4s
                   +0 :              -0.01672038712364
                3p
                   -1 :               0.06548014542337
                   +0 :               0.05248848914631
                   +1 :               0.01997260657798
                4p
                   -1 :               0.02373623087500
                   +0 :               0.01321999077731
                   +1 :              -0.00311443843128
                3d
                   -2 :              -0.00786051034996
                   -1 :              -0.05894913612620
                   +0 :              -0.00450845461003
                   +1 :              -0.00449413555852
                   +2 :               0.03688076541385
              2 vec=    -0.209286      5.868340     -1.580453   |vec|=    6.081040
                2s
                   +0 :              -0.00442660937351
                2p
                   -1 :              -0.00338324999460
                   +0 :               0.00145773217503
                   +1 :              -0.00034200338486
                3s
                   +0 :               0.00605983849210
                4s
                   +0 :              -0.00622565158325
                3p
                   -1 :               0.01053838490075
                   +0 :              -0.00702650642307
                   +1 :               0.00420190267501
                4p
                   -1 :              -0.00417424022898
                   +0 :               0.00252703376422
                   +1 :              -0.00121589769551
                3d
                   -2 :               0.00190956661946
                   -1 :              -0.00284215154902
                   +0 :              -0.00306794878363
                   +1 :              -0.00015393483589
                   +2 :              -0.00435422381019
              3 vec=     7.570876      1.376461     -1.580453   |vec|=    7.855612
                2s
                   +0 :              -0.00025527134771
                2p
                   -1 :               0.00027815273581
                   +0 :              -0.00070025542541
                   +1 :              -0.00024794184294
                3s
                   +0 :              -0.00194507126624
                4s
                   +0 :               0.00000505549600
                3p
                   -1 :              -0.00059492126295
                   +0 :               0.00401630242457
                   +1 :              -0.00235730188928
                4p
                   -1 :              -0.00007652635087
                   +0 :              -0.00067360799931
                   +1 :              -0.00013204374297
                3d
                   -2 :              -0.00012232257949
                   -1 :               0.00035415284321
                   +0 :               0.00013540773678
                   +1 :               0.00199532421365
                   +2 :              -0.00091536570038
              4 vec=    -7.989449      1.376461     -1.580453   |vec|=    8.259768
                2s
                   +0 :              -0.00037244332144
                2p
                   -1 :              -0.00049047521774
                   +0 :               0.00046663053946
                   +1 :              -0.00006790731865
                3s
                   +0 :               0.00022095586790
                4s
                   +0 :              -0.00076221802737
                3p
                   -1 :               0.00218781130932
                   +0 :              -0.00191521884328
                   +1 :               0.00195643442717
                4p
                   -1 :              -0.00085486180995
                   +0 :               0.00064616064752
                   +1 :               0.00014690922084
                3d
                   -2 :               0.00010276646942
                   -1 :              -0.00042878737537
                   +0 :               0.00029305263774
                   +1 :              -0.00071408278324
                   +2 :              -0.00122717534686
              5 vec=     7.570876     -7.607297     -1.580453   |vec|=   10.848362
                2s
                   +0 :               0.00045958935987
                2p
                   -1 :              -0.00051370522585
                   +0 :               0.00021836332235
                   +1 :               0.00013039405397
                3s
                   +0 :              -0.00119233248487
                4s
                   +0 :               0.00028411048847
                3p
                   -1 :               0.00175792932110
                   +0 :              -0.00059328501131
                   +1 :              -0.00080325665259
                4p
                   -1 :              -0.00045051273152
                   +0 :               0.00002473180639
                   +1 :              -0.00000107371796
                3d
                   -2 :               0.00078819083419
                   -1 :               0.00005810697726
                   +0 :               0.00019047941620
                   +1 :               0.00022689241049
                   +2 :               0.00062764876982
              6 vec=    -7.989449     -7.607297     -1.580453   |vec|=   11.144509
                2s
                   +0 :              -0.00010418204805
                2p
                   -1 :               0.00010320680243
                   +0 :              -0.00017653266961
                   +1 :              -0.00019901013545
                3s
                   +0 :              -0.00010604944939
                4s
                   +0 :               0.00070743400240
                3p
                   -1 :              -0.00044109840443
                   +0 :               0.00089542769741
                   +1 :               0.00177048499719
                4p
                   -1 :              -0.00012070155674
                   +0 :              -0.00021729887944
                   +1 :              -0.00059256829722
                3d
                   -2 :               0.00003436980703
                   -1 :              -0.00002557442535
                   +0 :               0.00030034802505
                   +1 :              -0.00060723462681
                   +2 :              -0.00099176361120
              7 vec=    -0.209286    -12.099176     -1.580453   |vec|=   12.203757
                2s
                   +0 :               0.00013710319529
                2p
                   -1 :              -0.00008367027361
                   +0 :              -0.00003022095274
                   +1 :              -0.00013830887763
                3s
                   +0 :              -0.00085060939739
                4s
                   +0 :              -0.00000228607801
                3p
                   -1 :               0.00084510391442
                   +0 :               0.00051668948301
                   +1 :               0.00067339088519
                4p
                   -1 :              -0.00013907675841
                   +0 :               0.00001480050552
                   +1 :              -0.00031888537993
                3d
                   -2 :              -0.00006846298355
                   -1 :              -0.00008152109589
                   +0 :               0.00011842084897
                   +1 :               0.00009531294903
                   +2 :               0.00014901311528
              8 vec=     7.570876     10.360219     -1.580453   |vec|=   12.928656
                2s
                   +0 :              -0.00007171353869
                2p
                   -1 :               0.00005390786843
                   +0 :              -0.00018637199432
                   +1 :               0.00016342780649
                3s
                   +0 :               0.00199174893620
                4s
                   +0 :              -0.00023722924457
                3p
                   -1 :              -0.00039923207310
                   +0 :              -0.00046580441279
                   +1 :               0.00079389785046
                4p
                   -1 :               0.00001108750038
                   +0 :              -0.00009625834438
                   +1 :               0.00009150998431
                3d
                   -2 :              -0.00022979618244
                   -1 :               0.00008469851558
                   +0 :               0.00024993518200
                   +1 :              -0.00053255884303
                   +2 :               0.00045265794510
              9 vec=    -7.989449     10.360219     -1.580453   |vec|=   13.178136
                2s
                   +0 :               0.00007470564546
                2p
                   -1 :              -0.00003254970942
                   +0 :               0.00003289584450
                   +1 :              -0.00012695533600
                3s
                   +0 :               0.00168793356930
                4s
                   +0 :               0.00001019231942
                3p
                   -1 :               0.00049299950564
                   +0 :              -0.00162232103277
                   +1 :              -0.00083107894481
                4p
                   -1 :              -0.00001115895710
                   +0 :               0.00019992987386
                   +1 :              -0.00009809508178
                3d
                   -2 :              -0.00021392773284
                   -1 :              -0.00033169026880
                   +0 :               0.00015171410223
                   +1 :               0.00060148475225
                   +2 :               0.00024780705393
             10 vec=    -0.209286     14.852098     -1.580453   |vec|=   14.937418
                2s
                   +0 :              -0.00020470727866
                2p
                   -1 :              -0.00003016367161
                   +0 :              -0.00002537483796
                   +1 :              -0.00001525964018
                3s
                   +0 :               0.00108137931507
                4s
                   +0 :              -0.00026064679403
                3p
                   -1 :               0.00027577944649
                   +0 :              -0.00008751815881
                   +1 :              -0.00001860129604
                4p
                   -1 :              -0.00006220124471
                   +0 :              -0.00004686504029
                   +1 :               0.00001423958094
                3d
                   -2 :              -0.00002723941725
                   -1 :               0.00000876290332
                   +0 :               0.00004586557305
                   +1 :              -0.00001205020785
                   +2 :               0.00002208230206
             11 vec=    15.351039     -3.115418     -1.580453   |vec|=   15.743508
                2s
                   +0 :              -0.00001440339184
                2p
                   -1 :              -0.00003317092333
                   +0 :               0.00001707765004
                   +1 :              -0.00003240803593
                3s
                   +0 :               0.00001510760711
                4s
                   +0 :              -0.00001592578608
                3p
                   -1 :               0.00012037012246
                   +0 :              -0.00008314150337
                   +1 :               0.00008046236423
                4p
                   -1 :              -0.00001971916148
                   +0 :               0.00002039129674
                   +1 :              -0.00000544404174
                3d
                   -2 :               0.00000695605622
                   -1 :               0.00002401538854
                   +0 :              -0.00000570285011
                   +1 :              -0.00005549321947
                   +2 :               0.00000285007839
             12 vec=   -15.769612     -3.115418     -1.580453   |vec|=   16.151913
                2s
                   +0 :               0.00004951433797
                2p
                   -1 :               0.00000985512818
                   +0 :               0.00000493666430
                   +1 :              -0.00001460911117
                3s
                   +0 :              -0.00031720331208
                4s
                   +0 :               0.00009251703731
                3p
                   -1 :              -0.00013483472729
                   +0 :               0.00004839886625
                   +1 :               0.00014032293339
                4p
                   -1 :               0.00001027656249
                   +0 :              -0.00001450257271
                   +1 :              -0.00005244292759
                3d
                   -2 :               0.00004322994880
                   -1 :               0.00005471331111
                   +0 :              -0.00002877957328
                   +1 :              -0.00000348064448
                   +2 :               0.00001998738418
             13 vec=    15.351039      5.868340     -1.580453   |vec|=   16.510289
                2s
                   +0 :              -0.00006139748662
                2p
                   -1 :              -0.00002940502622
                   +0 :              -0.00000061952125
                   +1 :               0.00000160304521
                3s
                   +0 :               0.00042186380403
                4s
                   +0 :              -0.00006362515065
                3p
                   -1 :               0.00021827637481
                   +0 :              -0.00012583640798
                   +1 :               0.00011499491006
                4p
                   -1 :              -0.00001609684161
                   +0 :              -0.00000640340312
                   +1 :              -0.00001308845851
                3d
                   -2 :               0.00003097565987
                   -1 :              -0.00008283055257
                   +0 :               0.00001603151100
                   +1 :              -0.00005050568659
                   +2 :              -0.00000887729710
             14 vec=   -15.769612      5.868340     -1.580453   |vec|=   16.900175
                2s
                   +0 :              -0.00000791133034
                2p
                   -1 :              -0.00002448011552
                   +0 :              -0.00000110968498
                   +1 :              -0.00001974810536
                3s
                   +0 :               0.00012183599955
                4s
                   +0 :              -0.00003979754014
                3p
                   -1 :               0.00018468670988
                   +0 :              -0.00005673047872
                   +1 :               0.00007096765924
                4p
                   -1 :              -0.00003904688884
                   +0 :               0.00001129640697
                   +1 :              -0.00001046851234
                3d
                   -2 :              -0.00001567854796
                   -1 :              -0.00004639512444
                   +0 :               0.00000434958935
                   +1 :               0.00000557648166
                   +2 :              -0.00004843422174
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 13)  npairs=  14
              1 vec=    -0.418832      0.000150     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00036108505467
                2s
                   +0 :              -0.00201751462114
                3s
                   +0 :               0.00081157466108
                2p
                   -1 :              -0.00278349689866
                   +0 :               0.00168633273982
                   +1 :              -0.00059075753606
                3p
                   -1 :               0.00101766450026
                   +0 :              -0.00044808592554
                   +1 :               0.00078814802708
                3d
                   -2 :              -0.00012319098202
                   -1 :              -0.00002890870098
                   +0 :              -0.00019319661055
                   +1 :              -0.00005032463015
                   +2 :              -0.00006473496966
              2 vec=     7.361331     -4.491729     -8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00004764983503
                2s
                   +0 :              -0.00061860329063
                3s
                   +0 :               0.00010656764492
                2p
                   -1 :               0.00032767799965
                   +0 :               0.00040493392535
                   +1 :               0.00007012476614
                3p
                   -1 :              -0.00039702479183
                   +0 :              -0.00002322970636
                   +1 :              -0.00023946788056
                3d
                   -2 :              -0.00002761666370
                   -1 :               0.00004372582908
                   +0 :              -0.00001636075777
                   +1 :               0.00001219702126
                   +2 :              -0.00005314791374
              3 vec=     7.361331      4.492029     -8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00007907061668
                2s
                   +0 :              -0.00030992328641
                3s
                   +0 :               0.00017105790451
                2p
                   -1 :               0.00019804127501
                   +0 :               0.00009013117690
                   +1 :               0.00102505565349
                3p
                   -1 :              -0.00037591825645
                   +0 :              -0.00004299102428
                   +1 :              -0.00081856111093
                3d
                   -2 :              -0.00008028746546
                   -1 :               0.00006443931317
                   +0 :               0.00002201263748
                   +1 :              -0.00000200847432
                   +2 :               0.00001104812146
              4 vec=    -0.418832     -8.983608     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00028750389959
                2s
                   +0 :               0.00150763495608
                3s
                   +0 :              -0.00104862525263
                2p
                   -1 :              -0.00107814155732
                   +0 :              -0.00061290507999
                   +1 :               0.00206298884199
                3p
                   -1 :               0.00113951736222
                   +0 :               0.00062223612255
                   +1 :              -0.00167255536916
                3d
                   -2 :               0.00011023082918
                   -1 :              -0.00013017284239
                   +0 :              -0.00007531189235
                   +1 :               0.00010769152040
                   +2 :               0.00004265150910
              5 vec=    -0.418832      8.983908     -8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00012710612684
                2s
                   +0 :               0.00125488779530
                3s
                   +0 :              -0.00034567417645
                2p
                   -1 :               0.00104258967338
                   +0 :              -0.00074366650474
                   +1 :              -0.00075051195877
                3p
                   -1 :              -0.00044256490050
                   +0 :               0.00009634609741
                   +1 :               0.00043210226630
                3d
                   -2 :               0.00003483222164
                   -1 :               0.00003679195471
                   +0 :               0.00003895291917
                   +1 :              -0.00001014879178
                   +2 :               0.00002454460665
              6 vec=    -8.198995     -4.491729     -8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00000161722315
                2s
                   +0 :              -0.00021115349795
                3s
                   +0 :               0.00000979416438
                2p
                   -1 :              -0.00058338971121
                   +0 :               0.00062909618861
                   +1 :               0.00037139960507
                3p
                   -1 :               0.00035724337436
                   +0 :              -0.00033847242224
                   +1 :              -0.00009827791527
                3d
                   -2 :              -0.00000540547794
                   -1 :               0.00001383024831
                   +0 :              -0.00003015455323
                   +1 :               0.00001230699360
                   +2 :               0.00003159153024
              7 vec=    -8.198995      4.492029     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00003108728728
                2s
                   +0 :              -0.00009022776364
                3s
                   +0 :               0.00011833252561
                2p
                   -1 :               0.00013990278742
                   +0 :              -0.00036803986376
                   +1 :              -0.00079687023929
                3p
                   -1 :              -0.00025330433903
                   +0 :               0.00024946413998
                   +1 :               0.00047844855407
                3d
                   -2 :               0.00002432493400
                   -1 :               0.00000316019695
                   +0 :               0.00000488467012
                   +1 :              -0.00002253803651
                   +2 :               0.00000898723854
              8 vec=    -0.418832      0.000150     16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000342222021
                2s
                   +0 :              -0.00001148732270
                3s
                   +0 :               0.00000510307859
                2p
                   -1 :               0.00000959483765
                   +0 :               0.00003259320241
                   +1 :              -0.00000215357765
                3p
                   -1 :              -0.00003187067674
                   +0 :              -0.00002917191480
                   +1 :              -0.00000101393477
                3d
                   -2 :              -0.00000148944016
                   -1 :              -0.00000166235051
                   +0 :              -0.00000248843974
                   +1 :               0.00000016434389
                   +2 :               0.00000377131280
              9 vec=    15.141493      0.000150     -8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00002052056377
                2s
                   +0 :              -0.00015148524530
                3s
                   +0 :               0.00007957799383
                2p
                   -1 :               0.00000173433753
                   +0 :               0.00001687280721
                   +1 :              -0.00000454810956
                3p
                   -1 :              -0.00001610711609
                   +0 :              -0.00001562798729
                   +1 :              -0.00002517393740
                3d
                   -2 :              -0.00000334821273
                   -1 :               0.00000553916813
                   +0 :               0.00000266558474
                   +1 :               0.00000154358479
                   +2 :              -0.00000750225346
             10 vec=     7.361331    -13.475487     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00001543130043
                2s
                   +0 :              -0.00012154040644
                3s
                   +0 :               0.00003460216777
                2p
                   -1 :               0.00004840825207
                   +0 :               0.00005972981628
                   +1 :              -0.00020539460714
                3p
                   -1 :               0.00000857933301
                   +0 :              -0.00003282547147
                   +1 :               0.00015597790226
                3d
                   -2 :              -0.00000346662651
                   -1 :              -0.00001350413730
                   +0 :              -0.00000160350726
                   +1 :              -0.00000861217515
                   +2 :               0.00001629018908
             11 vec=     7.361331     13.475787     -8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000445048368
                2s
                   +0 :               0.00010342801925
                3s
                   +0 :               0.00000838221097
                2p
                   -1 :               0.00002701795775
                   +0 :              -0.00011218539870
                   +1 :               0.00005379487530
                3p
                   -1 :               0.00004013719064
                   +0 :               0.00001172624616
                   +1 :               0.00003105499955
                3d
                   -2 :               0.00001217973141
                   -1 :               0.00000050573973
                   +0 :              -0.00000276934677
                   +1 :              -0.00000504406138
                   +2 :              -0.00000264031657
             12 vec=    -8.198995    -13.475487     -8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00000601886583
                2s
                   +0 :              -0.00003240504725
                3s
                   +0 :              -0.00001227796941
                2p
                   -1 :              -0.00005555028613
                   +0 :              -0.00010305525994
                   +1 :               0.00005592920830
                3p
                   -1 :               0.00007384545798
                   +0 :               0.00009400594131
                   +1 :              -0.00003670685827
                3d
                   -2 :              -0.00000177426645
                   -1 :              -0.00000573662547
                   +0 :              -0.00000960328527
                   +1 :              -0.00000124753685
                   +2 :               0.00001036220762
             13 vec=    -8.198995     13.475787     -8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001120091661
                2s
                   +0 :               0.00006868967268
                3s
                   +0 :              -0.00001233468790
                2p
                   -1 :               0.00004781721198
                   +0 :              -0.00008612330429
                   +1 :              -0.00011388412112
                3p
                   -1 :              -0.00000995589416
                   +0 :              -0.00001827176530
                   +1 :               0.00001822153996
                3d
                   -2 :               0.00000103457665
                   -1 :               0.00000125790644
                   +0 :               0.00000214866797
                   +1 :               0.00000041405453
                   +2 :              -0.00000008526280
             14 vec=   -15.979157      0.000150     -8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00000393311146
                2s
                   +0 :              -0.00002026121291
                3s
                   +0 :               0.00001086077147
                2p
                   -1 :              -0.00003908651234
                   +0 :               0.00006581607247
                   +1 :               0.00002901267765
                3p
                   -1 :               0.00001928850163
                   +0 :              -0.00003637179335
                   +1 :               0.00000050235178
                3d
                   -2 :              -0.00000049185849
                   -1 :              -0.00000282679923
                   +0 :               0.00000214218582
                   +1 :              -0.00000072865557
                   +2 :              -0.00000044393290
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 14)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00029025002086
                2s
                   +0 :              -0.00217023615706
                3s
                   +0 :               0.00054508905136
                2p
                   -1 :              -0.00019442884588
                   +0 :               0.00211796928154
                   +1 :               0.00343773220717
                3p
                   -1 :              -0.00069570490195
                   +0 :               0.00012129656754
                   +1 :              -0.00176187632355
                3d
                   -2 :               0.00016874068682
                   -1 :               0.00015998251050
                   +0 :              -0.00008063654388
                   +1 :              -0.00001889713085
                   +2 :               0.00008283584804
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00004839935278
                2s
                   +0 :               0.00018658420341
                3s
                   +0 :              -0.00034292047845
                2p
                   -1 :               0.00173470650036
                   +0 :               0.00166020127203
                   +1 :               0.00033392388372
                3p
                   -1 :              -0.00051537855096
                   +0 :              -0.00051430081580
                   +1 :               0.00000897682406
                3d
                   -2 :               0.00001169869016
                   -1 :              -0.00005248603592
                   +0 :               0.00004482251507
                   +1 :              -0.00009382977947
                   +2 :              -0.00001966368788
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00021292172449
                2s
                   +0 :               0.00211648924639
                3s
                   +0 :              -0.00034414260040
                2p
                   -1 :              -0.00041347762606
                   +0 :              -0.00288264427139
                   +1 :               0.00324368401832
                3p
                   -1 :               0.00051226946020
                   +0 :               0.00064637820155
                   +1 :              -0.00068760668668
                3d
                   -2 :              -0.00005770495387
                   -1 :              -0.00007293551150
                   +0 :              -0.00000442233066
                   +1 :              -0.00005128467169
                   +2 :               0.00008527594996
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00002640851028
                2s
                   +0 :              -0.00029372001048
                3s
                   +0 :              -0.00006783674479
                2p
                   -1 :               0.00048552709268
                   +0 :               0.00042387975927
                   +1 :              -0.00025345184810
                3p
                   -1 :              -0.00028125372367
                   +0 :              -0.00024519774131
                   +1 :               0.00016555878352
                3d
                   -2 :               0.00000165585336
                   -1 :               0.00001547315360
                   +0 :               0.00006924262491
                   +1 :              -0.00000937934145
                   +2 :              -0.00002852972590
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000746784804
                2s
                   +0 :               0.00024286126064
                3s
                   +0 :               0.00000866091710
                2p
                   -1 :              -0.00002371385218
                   +0 :               0.00031813935927
                   +1 :              -0.00001677333073
                3p
                   -1 :              -0.00001023900153
                   +0 :              -0.00020759861155
                   +1 :              -0.00001417719541
                3d
                   -2 :               0.00000123113756
                   -1 :               0.00000346481570
                   +0 :               0.00002953014876
                   +1 :               0.00001934255607
                   +2 :               0.00001562011757
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00004079294673
                2s
                   +0 :              -0.00025634373857
                3s
                   +0 :               0.00001675451562
                2p
                   -1 :               0.00040809984991
                   +0 :              -0.00013946122096
                   +1 :              -0.00021509829094
                3p
                   -1 :              -0.00042444183452
                   +0 :              -0.00001315089576
                   +1 :               0.00001498450910
                3d
                   -2 :               0.00000004190724
                   -1 :              -0.00000654914770
                   +0 :              -0.00000167175561
                   +1 :               0.00001951246806
                   +2 :              -0.00005606421821
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000259298563
                2s
                   +0 :              -0.00002553203874
                3s
                   +0 :              -0.00000216905995
                2p
                   -1 :               0.00001611622183
                   +0 :              -0.00002686104929
                   +1 :               0.00005917692022
                3p
                   -1 :               0.00001331389913
                   +0 :              -0.00001636673636
                   +1 :              -0.00003195455672
                3d
                   -2 :              -0.00001039206806
                   -1 :              -0.00000305859858
                   +0 :               0.00000851292799
                   +1 :               0.00000428676292
                   +2 :              -0.00000219393758
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000594981574
                2s
                   +0 :               0.00007086137964
                3s
                   +0 :              -0.00000588332975
                2p
                   -1 :              -0.00003119999259
                   +0 :              -0.00002359032914
                   +1 :               0.00002765538629
                3p
                   -1 :               0.00001707677442
                   +0 :               0.00002957168744
                   +1 :              -0.00007294445360
                3d
                   -2 :               0.00000626748488
                   -1 :              -0.00000612601295
                   +0 :              -0.00000382488414
                   +1 :              -0.00000468244908
                   +2 :               0.00000385256614
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00004756854728
                2s
                   +0 :              -0.00032555566223
                3s
                   +0 :               0.00014841541099
                2p
                   -1 :               0.00023469989053
                   +0 :               0.00013545649676
                   +1 :               0.00002469277492
                3p
                   -1 :              -0.00015313971730
                   +0 :              -0.00009275928421
                   +1 :              -0.00004826614442
                3d
                   -2 :              -0.00002709340255
                   -1 :               0.00000708956716
                   +0 :              -0.00000222695446
                   +1 :               0.00000530681313
                   +2 :              -0.00000357927512
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001911179629
                2s
                   +0 :              -0.00011135066365
                3s
                   +0 :               0.00004409069975
                2p
                   -1 :              -0.00011507344537
                   +0 :               0.00014572506739
                   +1 :              -0.00027143746291
                3p
                   -1 :               0.00006531005360
                   +0 :              -0.00004390204525
                   +1 :               0.00014955426777
                3d
                   -2 :               0.00000063363719
                   -1 :              -0.00000067399993
                   +0 :               0.00000038565021
                   +1 :              -0.00001166568827
                   +2 :               0.00000959633656
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000983694795
                2s
                   +0 :               0.00011823619385
                3s
                   +0 :              -0.00000770253078
                2p
                   -1 :               0.00010105806976
                   +0 :              -0.00026806179683
                   +1 :               0.00011307804598
                3p
                   -1 :              -0.00001229107942
                   +0 :               0.00012981670054
                   +1 :              -0.00010609976525
                3d
                   -2 :              -0.00000594416270
                   -1 :              -0.00000376096870
                   +0 :               0.00000444647888
                   +1 :               0.00000757360367
                   +2 :               0.00000063068845
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000586571559
                2s
                   +0 :               0.00002580046754
                3s
                   +0 :              -0.00000765947663
                2p
                   -1 :              -0.00019353853945
                   +0 :              -0.00030890204969
                   +1 :               0.00005027437502
                3p
                   -1 :               0.00019610467828
                   +0 :               0.00017128682445
                   +1 :               0.00002431005349
                3d
                   -2 :               0.00001344210543
                   -1 :              -0.00001191644396
                   +0 :              -0.00002151353828
                   +1 :               0.00001494491640
                   +2 :              -0.00001161824944
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001541747731
                2s
                   +0 :              -0.00010050323386
                3s
                   +0 :               0.00005236672948
                2p
                   -1 :              -0.00008459315246
                   +0 :              -0.00006469757924
                   +1 :               0.00002405649968
                3p
                   -1 :               0.00005361454079
                   +0 :               0.00005476102107
                   +1 :              -0.00001200743231
                3d
                   -2 :               0.00000131889626
                   -1 :              -0.00000188381432
                   +0 :              -0.00000143048698
                   +1 :               0.00000021608500
                   +2 :              -0.00000055282734
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001454508749
                2s
                   +0 :              -0.00010457413086
                3s
                   +0 :               0.00003344823279
                2p
                   -1 :              -0.00008135432753
                   +0 :              -0.00004606417087
                   +1 :              -0.00003879208275
                3p
                   -1 :               0.00005028566484
                   +0 :               0.00001587494496
                   +1 :               0.00001478344151
                3d
                   -2 :               0.00000457025030
                   -1 :               0.00000372175525
                   +0 :               0.00000205223742
                   +1 :              -0.00000325960093
                   +2 :              -0.00000323859610
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001214664029
                2s
                   +0 :              -0.00009419079800
                3s
                   +0 :               0.00004498114721
                2p
                   -1 :              -0.00002375408802
                   +0 :              -0.00003291897635
                   +1 :               0.00006920483962
                3p
                   -1 :               0.00000789114331
                   +0 :               0.00001564845974
                   +1 :              -0.00004275130202
                3d
                   -2 :               0.00000089555061
                   -1 :              -0.00000166000740
                   +0 :               0.00000087237185
                   +1 :              -0.00000091809649
                   +2 :              -0.00000254114549
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 15)  npairs=  15
              1 vec=    -2.802674      4.129085     -8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00029821680256
                2s
                   +0 :               0.00288667765983
                3s
                   +0 :              -0.00057717262991
                2p
                   -1 :              -0.00111323581569
                   +0 :              -0.00393184939939
                   +1 :              -0.00290740291198
                3p
                   -1 :               0.00072080265063
                   +0 :               0.00083425291138
                   +1 :               0.00033409583871
                3d
                   -2 :              -0.00003224804864
                   -1 :              -0.00007965222577
                   +0 :              -0.00009032511428
                   +1 :               0.00013628239326
                   +2 :               0.00005279419246
              2 vec=     4.977489     -0.362794     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00005653440561
                2s
                   +0 :              -0.00099338279096
                3s
                   +0 :              -0.00012134641371
                2p
                   -1 :              -0.00315649556367
                   +0 :               0.00137266884517
                   +1 :              -0.00282076542643
                3p
                   -1 :               0.00198524966950
                   +0 :               0.00086049595245
                   +1 :               0.00088230569463
                3d
                   -2 :              -0.00005970349238
                   -1 :              -0.00011041461764
                   +0 :              -0.00001474859675
                   +1 :               0.00005712833397
                   +2 :              -0.00011416287216
              3 vec=    -2.802674     -4.854673     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00008980033033
                2s
                   +0 :              -0.00039694588167
                3s
                   +0 :               0.00002541639244
                2p
                   -1 :               0.00230334815645
                   +0 :              -0.00021658282485
                   +1 :              -0.00130395633842
                3p
                   -1 :              -0.00134211760926
                   +0 :               0.00095732394670
                   +1 :               0.00101363404725
                3d
                   -2 :               0.00010123723970
                   -1 :               0.00002091433872
                   +0 :               0.00006643927249
                   +1 :               0.00006207607250
                   +2 :               0.00004919499078
              4 vec=     4.977489      8.620964     -8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00011868465191
                2s
                   +0 :               0.00105447756443
                3s
                   +0 :              -0.00035551405697
                2p
                   -1 :               0.00071259155128
                   +0 :              -0.00011729538148
                   +1 :               0.00013201572345
                3p
                   -1 :              -0.00051790011838
                   +0 :               0.00013344505334
                   +1 :              -0.00008104373250
                3d
                   -2 :              -0.00001625725336
                   -1 :               0.00005384400016
                   +0 :              -0.00000185828365
                   +1 :               0.00000051854502
                   +2 :               0.00000537190667
              5 vec=   -10.582837     -0.362794     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00001370445064
                2s
                   +0 :              -0.00016656000417
                3s
                   +0 :              -0.00003658300617
                2p
                   -1 :               0.00014909968456
                   +0 :              -0.00007125343381
                   +1 :               0.00010650988052
                3p
                   -1 :              -0.00018439479206
                   +0 :              -0.00005505349971
                   +1 :               0.00001589613318
                3d
                   -2 :              -0.00001757302202
                   -1 :               0.00000392333351
                   +0 :               0.00000476722467
                   +1 :              -0.00000886253944
                   +2 :              -0.00002679730596
              6 vec=     4.977489     -9.346552     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00001400292692
                2s
                   +0 :              -0.00031448979002
                3s
                   +0 :               0.00000315977484
                2p
                   -1 :               0.00011889986428
                   +0 :              -0.00012331989994
                   +1 :              -0.00000434788987
                3p
                   -1 :               0.00017425264103
                   +0 :               0.00023488591291
                   +1 :              -0.00007274018806
                3d
                   -2 :              -0.00000968646394
                   -1 :               0.00002621449593
                   +0 :               0.00002578721485
                   +1 :               0.00004026583983
                   +2 :               0.00002033029122
              7 vec=    -2.802674     13.112843     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00002799044826
                2s
                   +0 :               0.00026466344276
                3s
                   +0 :              -0.00006514997986
                2p
                   -1 :               0.00029040570139
                   +0 :              -0.00018922934206
                   +1 :              -0.00005413819426
                3p
                   -1 :              -0.00017339255547
                   +0 :               0.00014021300621
                   +1 :               0.00004123155755
                3d
                   -2 :              -0.00000209706686
                   -1 :               0.00000677673329
                   +0 :              -0.00000517491197
                   +1 :              -0.00000728317369
                   +2 :               0.00000364254328
              8 vec=    12.757651      4.129085     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00000670661381
                2s
                   +0 :              -0.00003994179252
                3s
                   +0 :               0.00004391192775
                2p
                   -1 :              -0.00018328598041
                   +0 :               0.00010436391376
                   +1 :              -0.00004608213847
                3p
                   -1 :               0.00014729424715
                   +0 :              -0.00010903977214
                   +1 :               0.00007337929195
                3d
                   -2 :              -0.00001066468436
                   -1 :               0.00000096081573
                   +0 :               0.00000981428821
                   +1 :              -0.00000231355986
                   +2 :               0.00000096460071
              9 vec=   -10.582837      8.620964     -8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00003191987295
                2s
                   +0 :              -0.00019939564343
                3s
                   +0 :               0.00011567106412
                2p
                   -1 :              -0.00002666243863
                   +0 :               0.00009376027435
                   +1 :               0.00006494019123
                3p
                   -1 :               0.00003522708218
                   +0 :              -0.00007654688261
                   +1 :              -0.00005526220566
                3d
                   -2 :              -0.00000257669633
                   -1 :               0.00000099356565
                   +0 :               0.00000432949818
                   +1 :               0.00000527797123
                   +2 :              -0.00000673444442
             10 vec=    12.757651     -4.854673     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00003280262365
                2s
                   +0 :               0.00019890132666
                3s
                   +0 :              -0.00010638416217
                2p
                   -1 :              -0.00002029789069
                   +0 :              -0.00005147080171
                   +1 :               0.00008365625246
                3p
                   -1 :               0.00000402303849
                   +0 :              -0.00001523007273
                   +1 :              -0.00005365389868
                3d
                   -2 :              -0.00000397554315
                   -1 :               0.00001037164870
                   +0 :              -0.00000907733297
                   +1 :              -0.00000069047889
                   +2 :               0.00000979444428
             11 vec=   -10.582837     -9.346552     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00002959691951
                2s
                   +0 :              -0.00021022789845
                3s
                   +0 :               0.00007476472134
                2p
                   -1 :               0.00024143079632
                   +0 :               0.00008484502761
                   +1 :               0.00015067215248
                3p
                   -1 :              -0.00018058084428
                   +0 :              -0.00001006468756
                   +1 :              -0.00006356404849
                3d
                   -2 :               0.00001329995576
                   -1 :               0.00001195081409
                   +0 :              -0.00001303799979
                   +1 :               0.00000287590021
                   +2 :              -0.00000384755599
             12 vec=    -2.802674    -13.838431     -8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00004276915905
                2s
                   +0 :               0.00020563497770
                3s
                   +0 :              -0.00015418906570
                2p
                   -1 :               0.00009809851677
                   +0 :              -0.00008660672549
                   +1 :              -0.00024069229216
                3p
                   -1 :               0.00002568244597
                   +0 :               0.00014466011967
                   +1 :               0.00021956527930
                3d
                   -2 :              -0.00000054843303
                   -1 :              -0.00000378812538
                   +0 :              -0.00000712789748
                   +1 :              -0.00001434452545
                   +2 :              -0.00000073811064
             13 vec=    -2.802674      4.129085     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00001863922087
                2s
                   +0 :               0.00015124026056
                3s
                   +0 :              -0.00006603715812
                2p
                   -1 :               0.00000737296924
                   +0 :               0.00011387095801
                   +1 :              -0.00000674126056
                3p
                   -1 :              -0.00000256296118
                   +0 :              -0.00005248811259
                   +1 :               0.00000468055470
                3d
                   -2 :               0.00000334570181
                   -1 :              -0.00000813963947
                   +0 :              -0.00000307867073
                   +1 :              -0.00000090824954
                   +2 :               0.00000473688069
             14 vec=     4.977489     -0.362794     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00000636291862
                2s
                   +0 :               0.00007024112300
                3s
                   +0 :              -0.00000666985536
                2p
                   -1 :              -0.00002121984352
                   +0 :               0.00007592185935
                   +1 :               0.00000736091485
                3p
                   -1 :               0.00000288464545
                   +0 :              -0.00001285614718
                   +1 :              -0.00000200848263
                3d
                   -2 :               0.00000059617566
                   -1 :               0.00000356888662
                   +0 :              -0.00000156678607
                   +1 :              -0.00000411333168
                   +2 :              -0.00000146401684
             15 vec=    -2.802674     -4.854673     16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00000743756661
                2s
                   +0 :              -0.00006977647547
                3s
                   +0 :               0.00000596431773
                2p
                   -1 :              -0.00003324565086
                   +0 :               0.00000020952000
                   +1 :               0.00004271667182
                3p
                   -1 :               0.00000093049951
                   +0 :              -0.00004269132731
                   +1 :              -0.00001004851227
                3d
                   -2 :              -0.00000395048347
                   -1 :              -0.00000052258366
                   +0 :              -0.00000376766351
                   +1 :               0.00000310299614
                   +2 :              -0.00000592835352
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 16)  npairs=  14
              1 vec=     2.593647     -1.739106      4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00296620880680
                2s
                   +0 :              -0.03440503611360
                3s
                   +0 :               0.00615460638639
                2p
                   -1 :               0.00230408101561
                   +0 :              -0.01229275287593
                   +1 :              -0.01087412095409
                3p
                   -1 :              -0.00297877692832
                   +0 :              -0.00215847233102
                   +1 :               0.00065344188260
                3d
                   -2 :              -0.00017512805754
                   -1 :              -0.00082451793838
                   +0 :              -0.00143839460058
                   +1 :              -0.00166299450875
                   +2 :              -0.00078206229819
              2 vec=    -5.186516      2.752773      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00061864685203
                2s
                   +0 :               0.00432185447785
                3s
                   +0 :              -0.00267815947279
                2p
                   -1 :               0.00372573973030
                   +0 :               0.00583793676535
                   +1 :              -0.00239243602108
                3p
                   -1 :              -0.00318319937969
                   +0 :              -0.00420121970556
                   +1 :               0.00171994946139
                3d
                   -2 :               0.00006240335353
                   -1 :              -0.00047468117811
                   +0 :              -0.00030072335880
                   +1 :               0.00051711762239
                   +2 :               0.00003848873481
              3 vec=     2.593647      7.244652      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00008099533980
                2s
                   +0 :               0.00038332028586
                3s
                   +0 :               0.00003922170795
                2p
                   -1 :               0.00172232945854
                   +0 :               0.00326852351304
                   +1 :               0.00063561479928
                3p
                   -1 :              -0.00075777021597
                   +0 :              -0.00061229683180
                   +1 :              -0.00112370183996
                3d
                   -2 :              -0.00011771464481
                   -1 :              -0.00004053560787
                   +0 :               0.00014142799105
                   +1 :              -0.00012128434805
                   +2 :               0.00013790139031
              4 vec=    -5.186516     -6.230985      4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00036661528207
                2s
                   +0 :              -0.00205595774828
                3s
                   +0 :               0.00070330640660
                2p
                   -1 :              -0.00131947619108
                   +0 :              -0.00237922398500
                   +1 :               0.00071710448648
                3p
                   -1 :               0.00099722610983
                   +0 :               0.00016147394677
                   +1 :              -0.00022389361223
                3d
                   -2 :              -0.00016923884543
                   -1 :               0.00015053315488
                   +0 :              -0.00001407714461
                   +1 :               0.00022359784768
                   +2 :               0.00000737646519
              5 vec=    10.373810      2.752773      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00015580843840
                2s
                   +0 :              -0.00077028117725
                3s
                   +0 :               0.00036786454469
                2p
                   -1 :              -0.00045597186304
                   +0 :               0.00060441995242
                   +1 :              -0.00063357727168
                3p
                   -1 :               0.00021959071500
                   +0 :              -0.00046964569652
                   +1 :               0.00038518438384
                3d
                   -2 :              -0.00002542946516
                   -1 :              -0.00003661162099
                   +0 :               0.00007006861596
                   +1 :              -0.00005441489094
                   +2 :              -0.00000899025867
              6 vec=     2.593647    -10.722864      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00000824166112
                2s
                   +0 :              -0.00016710238535
                3s
                   +0 :              -0.00011793682211
                2p
                   -1 :               0.00065091441754
                   +0 :              -0.00065211565933
                   +1 :              -0.00013165281165
                3p
                   -1 :              -0.00036965162793
                   +0 :               0.00051663230614
                   +1 :               0.00005741117456
                3d
                   -2 :               0.00004019896348
                   -1 :              -0.00001636117861
                   +0 :               0.00008797693111
                   +1 :               0.00002637292345
                   +2 :               0.00004021483809
              7 vec=    10.373810     -6.230985      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00005529388529
                2s
                   +0 :              -0.00043266095669
                3s
                   +0 :               0.00017474581782
                2p
                   -1 :               0.00013249333864
                   +0 :               0.00018467835595
                   +1 :               0.00006175223818
                3p
                   -1 :              -0.00009554882678
                   +0 :              -0.00015682673641
                   +1 :              -0.00005662504218
                3d
                   -2 :               0.00000857118855
                   -1 :               0.00001555402022
                   +0 :              -0.00000737459641
                   +1 :               0.00000609679973
                   +2 :              -0.00000353978759
              8 vec=    -5.186516     11.736531      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00001834065075
                2s
                   +0 :               0.00024361459132
                3s
                   +0 :               0.00016509304761
                2p
                   -1 :              -0.00022236966322
                   +0 :               0.00016173093683
                   +1 :               0.00017187517197
                3p
                   -1 :               0.00034937257451
                   +0 :               0.00013791478589
                   +1 :              -0.00012057256307
                3d
                   -2 :              -0.00000645420026
                   -1 :               0.00001449743221
                   +0 :               0.00003585219530
                   +1 :               0.00002019550569
                   +2 :              -0.00001769853459
              9 vec=   -12.966678     -1.739106      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00010547338866
                2s
                   +0 :              -0.00077445694752
                3s
                   +0 :               0.00030641998762
                2p
                   -1 :              -0.00019028021842
                   +0 :              -0.00015967972165
                   +1 :               0.00027285400363
                3p
                   -1 :               0.00014781151628
                   +0 :               0.00008950978717
                   +1 :              -0.00008848011401
                3d
                   -2 :              -0.00003509660181
                   -1 :               0.00000060081150
                   +0 :              -0.00000250331922
                   +1 :              -0.00000343839772
                   +2 :               0.00000415923563
             10 vec=   -12.966678      7.244652      4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00000861870780
                2s
                   +0 :               0.00006377535912
                3s
                   +0 :               0.00001308472204
                2p
                   -1 :              -0.00009051254047
                   +0 :               0.00012059730480
                   +1 :              -0.00008301740070
                3p
                   -1 :               0.00006555829861
                   +0 :              -0.00007512677614
                   +1 :               0.00000909999768
                3d
                   -2 :              -0.00000538959064
                   -1 :              -0.00000693793798
                   +0 :               0.00000731245451
                   +1 :               0.00000785973819
                   +2 :              -0.00000489128376
             11 vec=    10.373810     11.736531      4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00002500385783
                2s
                   +0 :               0.00018089761785
                3s
                   +0 :              -0.00004333660938
                2p
                   -1 :               0.00012651393288
                   +0 :              -0.00011401303294
                   +1 :               0.00018235529656
                3p
                   -1 :              -0.00005585580453
                   +0 :               0.00013713662832
                   +1 :              -0.00005057792648
                3d
                   -2 :              -0.00000492478411
                   -1 :               0.00000904057167
                   +0 :              -0.00000371719676
                   +1 :               0.00000739940738
                   +2 :              -0.00000338782429
             12 vec=    -5.186516    -15.214743      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00001450049649
                2s
                   +0 :              -0.00015479924140
                3s
                   +0 :               0.00005423661508
                2p
                   -1 :              -0.00003514887540
                   +0 :               0.00004502284411
                   +1 :               0.00000945828317
                3p
                   -1 :               0.00010719545193
                   +0 :              -0.00006120084704
                   +1 :               0.00003070539337
                3d
                   -2 :              -0.00001963849121
                   -1 :              -0.00001254220836
                   +0 :               0.00000612745333
                   +1 :               0.00000105246014
                   +2 :               0.00000030623784
             13 vec=     2.593647     16.228410      4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00002213568844
                2s
                   +0 :               0.00013458560484
                3s
                   +0 :              -0.00003889715600
                2p
                   -1 :               0.00003241673753
                   +0 :              -0.00005783540237
                   +1 :               0.00003268900059
                3p
                   -1 :               0.00003554225407
                   +0 :               0.00005909089836
                   +1 :              -0.00001692647406
                3d
                   -2 :               0.00000948611663
                   -1 :              -0.00000087227624
                   +0 :               0.00000233347440
                   +1 :               0.00000155312901
                   +2 :              -0.00000593572519
             14 vec=   -12.966678    -10.722864      4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00000044128657
                2s
                   +0 :              -0.00001498134356
                3s
                   +0 :              -0.00000501781180
                2p
                   -1 :              -0.00002330561409
                   +0 :              -0.00001977639868
                   +1 :               0.00004533715786
                3p
                   -1 :               0.00004702464101
                   +0 :               0.00003875498381
                   +1 :              -0.00000804160137
                3d
                   -2 :              -0.00000103118470
                   -1 :               0.00000212878433
                   +0 :               0.00000488767727
                   +1 :              -0.00000439433697
                   +2 :              -0.00000290578489
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 17)  npairs=  14
              1 vec=    -0.418832      2.752773      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00163256012911
                2s
                   +0 :               0.05072248812393
                3s
                   +0 :              -0.00317750855115
                2p
                   -1 :               0.00988283511500
                   +0 :               0.03493168352906
                   +1 :              -0.00290064665168
                3p
                   -1 :              -0.00005622587695
                   +0 :              -0.00568918734030
                   +1 :               0.00211352416114
                3d
                   -2 :              -0.00015186459005
                   -1 :               0.00045657112653
                   +0 :               0.00147761197724
                   +1 :               0.00030883747476
                   +2 :              -0.00066482645708
              2 vec=    -0.418832     -6.230985      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00001380543890
                2s
                   +0 :              -0.00033535515884
                3s
                   +0 :               0.00007720139525
                2p
                   -1 :               0.00476658027067
                   +0 :               0.00334170640848
                   +1 :              -0.00313045933702
                3p
                   -1 :              -0.00227784438222
                   +0 :              -0.00443448347602
                   +1 :               0.00313367323765
                3d
                   -2 :               0.00002093365389
                   -1 :              -0.00037128777969
                   +0 :              -0.00038865696649
                   +1 :              -0.00012931551256
                   +2 :              -0.00033005861633
              3 vec=     7.361331     -1.739106      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00022700213201
                2s
                   +0 :               0.00173472846850
                3s
                   +0 :              -0.00104566837525
                2p
                   -1 :              -0.00104367068589
                   +0 :               0.00500382457730
                   +1 :               0.00013016767808
                3p
                   -1 :               0.00057019931758
                   +0 :              -0.00279261171423
                   +1 :              -0.00067277762932
                3d
                   -2 :               0.00009893786277
                   -1 :              -0.00002427030323
                   +0 :               0.00009352318780
                   +1 :              -0.00028156758880
                   +2 :              -0.00007499931430
              4 vec=    -8.198995     -1.739106      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00011256532919
                2s
                   +0 :               0.00059231531127
                3s
                   +0 :              -0.00049041899146
                2p
                   -1 :              -0.00182533361099
                   +0 :              -0.00021715943431
                   +1 :              -0.00085850707618
                3p
                   -1 :               0.00165614232181
                   +0 :               0.00064848744198
                   +1 :               0.00122817527183
                3d
                   -2 :              -0.00011718581622
                   -1 :               0.00001504746774
                   +0 :               0.00008196873329
                   +1 :              -0.00004193693311
                   +2 :              -0.00008139832060
              5 vec=     7.361331      7.244652      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00018139941655
                2s
                   +0 :              -0.00064091631388
                3s
                   +0 :               0.00058484250870
                2p
                   -1 :              -0.00007265384006
                   +0 :               0.00062451701116
                   +1 :              -0.00033402194374
                3p
                   -1 :               0.00016929702626
                   +0 :              -0.00008316218358
                   +1 :               0.00072731636119
                3d
                   -2 :               0.00003301431999
                   -1 :              -0.00000477135765
                   +0 :               0.00000048158656
                   +1 :               0.00000334826542
                   +2 :               0.00003544620352
              6 vec=    -8.198995      7.244652      4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00008624733238
                2s
                   +0 :              -0.00027673527041
                3s
                   +0 :               0.00018100829297
                2p
                   -1 :               0.00020690986656
                   +0 :              -0.00027637796556
                   +1 :               0.00060873134801
                3p
                   -1 :              -0.00020014245206
                   +0 :               0.00025026491154
                   +1 :              -0.00076255636813
                3d
                   -2 :              -0.00003814248542
                   -1 :              -0.00000270962606
                   +0 :              -0.00007173796635
                   +1 :               0.00003914011684
                   +2 :               0.00001641654623
              7 vec=    -0.418832     11.736531      4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00001183900346
                2s
                   +0 :               0.00055599256886
                3s
                   +0 :               0.00002438040938
                2p
                   -1 :               0.00076030553098
                   +0 :               0.00060875377770
                   +1 :               0.00012844502145
                3p
                   -1 :              -0.00051782985962
                   +0 :              -0.00053666657844
                   +1 :              -0.00011649734143
                3d
                   -2 :              -0.00000137306685
                   -1 :              -0.00008333059081
                   +0 :              -0.00002859206920
                   +1 :               0.00000283127849
                   +2 :               0.00000457843885
              8 vec=     7.361331    -10.722864      4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00003033666199
                2s
                   +0 :              -0.00023868094813
                3s
                   +0 :              -0.00018280427552
                2p
                   -1 :              -0.00012699497672
                   +0 :              -0.00060915701135
                   +1 :               0.00008163620660
                3p
                   -1 :               0.00012755812825
                   +0 :               0.00010757016199
                   +1 :              -0.00029982268969
                3d
                   -2 :               0.00000991227964
                   -1 :              -0.00000485355702
                   +0 :              -0.00000936338258
                   +1 :              -0.00003189573575
                   +2 :              -0.00001008699578
              9 vec=    -8.198995    -10.722864      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00006323219197
                2s
                   +0 :              -0.00059196672660
                3s
                   +0 :               0.00015152304814
                2p
                   -1 :               0.00008001621682
                   +0 :              -0.00022883012116
                   +1 :               0.00046791058056
                3p
                   -1 :              -0.00007485953416
                   +0 :               0.00004267406402
                   +1 :              -0.00028859297660
                3d
                   -2 :               0.00003537071119
                   -1 :              -0.00000113706406
                   +0 :              -0.00001399048884
                   +1 :              -0.00001510632940
                   +2 :              -0.00000212823284
             10 vec=    -0.418832    -15.214743      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000126116896
                2s
                   +0 :              -0.00004377628264
                3s
                   +0 :              -0.00001216050997
                2p
                   -1 :               0.00005047941042
                   +0 :              -0.00007871305867
                   +1 :              -0.00012340969462
                3p
                   -1 :              -0.00001695634865
                   +0 :              -0.00000066976443
                   +1 :               0.00011541974151
                3d
                   -2 :              -0.00000647159560
                   -1 :              -0.00000536185527
                   +0 :              -0.00000230843472
                   +1 :               0.00000748545331
                   +2 :               0.00001113144218
             11 vec=    15.141493      2.752773      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00002209675511
                2s
                   +0 :               0.00010789637504
                3s
                   +0 :              -0.00005265984916
                2p
                   -1 :              -0.00006475211168
                   +0 :               0.00013479022519
                   +1 :              -0.00003258459096
                3p
                   -1 :               0.00002267321791
                   +0 :              -0.00008902911908
                   +1 :               0.00003965709172
                3d
                   -2 :               0.00000670171090
                   -1 :              -0.00000611269679
                   +0 :              -0.00000215281105
                   +1 :              -0.00001339601977
                   +2 :               0.00000184607823
             12 vec=   -15.979157      2.752773      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00001192417362
                2s
                   +0 :              -0.00007368825071
                3s
                   +0 :               0.00003684777482
                2p
                   -1 :              -0.00016606265701
                   +0 :               0.00002785004871
                   +1 :              -0.00005862883796
                3p
                   -1 :               0.00012247229004
                   +0 :              -0.00000566108124
                   +1 :               0.00005912049066
                3d
                   -2 :              -0.00000179048086
                   -1 :              -0.00000270349610
                   +0 :               0.00000388646128
                   +1 :               0.00000236131319
                   +2 :              -0.00000730341795
             13 vec=    15.141493     -6.230985      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00000857910932
                2s
                   +0 :              -0.00006258510733
                3s
                   +0 :               0.00003229173346
                2p
                   -1 :              -0.00004234851089
                   +0 :              -0.00002327026529
                   +1 :              -0.00015815563277
                3p
                   -1 :               0.00004476186454
                   +0 :               0.00000386883660
                   +1 :               0.00012657806687
                3d
                   -2 :               0.00000472465515
                   -1 :               0.00000045025586
                   +0 :              -0.00000238752396
                   +1 :              -0.00000405986201
                   +2 :               0.00000081001760
             14 vec=   -15.979157     -6.230985      4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00001121718324
                2s
                   +0 :              -0.00008873450169
                3s
                   +0 :               0.00002644887583
                2p
                   -1 :               0.00010117725866
                   +0 :              -0.00003510164064
                   +1 :               0.00006754083136
                3p
                   -1 :              -0.00007930736978
                   +0 :               0.00001117551504
                   +1 :              -0.00003617888561
                3d
                   -2 :               0.00000894743555
                   -1 :               0.00000291740965
                   +0 :              -0.00000318294462
                   +1 :              -0.00000144677925
                   +2 :               0.00000344013667
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 18)  npairs=  14
              1 vec=    -2.802674     -1.376162      4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00220073736582
                2s
                   +0 :              -0.02669357493748
                3s
                   +0 :               0.00553539114235
                2p
                   -1 :               0.00580621677722
                   +0 :              -0.01156900329985
                   +1 :               0.01403278614004
                3p
                   -1 :              -0.00803458334492
                   +0 :               0.00074833901106
                   +1 :              -0.00450151010284
                3d
                   -2 :               0.00045274368292
                   -1 :              -0.00131336158078
                   +0 :              -0.00049198904777
                   +1 :               0.00113288348491
                   +2 :              -0.00077234419536
              2 vec=     4.977489      3.115717      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00038342070743
                2s
                   +0 :               0.00174525938234
                3s
                   +0 :              -0.00132712721057
                2p
                   -1 :               0.00542290818548
                   +0 :              -0.00077700186223
                   +1 :               0.00083587248838
                3p
                   -1 :              -0.00529153904689
                   +0 :               0.00104247340407
                   +1 :              -0.00063277617415
                3d
                   -2 :              -0.00016480325265
                   -1 :              -0.00006419373885
                   +0 :               0.00013753150243
                   +1 :              -0.00012268924523
                   +2 :              -0.00004741691367
              3 vec=     4.977489     -5.868041      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00016682555141
                2s
                   +0 :               0.00149300766059
                3s
                   +0 :              -0.00068605487435
                2p
                   -1 :               0.00093356466319
                   +0 :              -0.00117667848848
                   +1 :               0.00030828481100
                3p
                   -1 :              -0.00088905273208
                   +0 :               0.00039486739800
                   +1 :              -0.00051025444232
                3d
                   -2 :              -0.00008131852274
                   -1 :               0.00000930404124
                   +0 :              -0.00005242877116
                   +1 :              -0.00009055219446
                   +2 :              -0.00013492359413
              4 vec=    -2.802674      7.607596      4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00019752374012
                2s
                   +0 :               0.00099956333063
                3s
                   +0 :              -0.00037312674733
                2p
                   -1 :               0.00168085980759
                   +0 :               0.00270271728041
                   +1 :               0.00013052578831
                3p
                   -1 :              -0.00097595602646
                   +0 :              -0.00182611022031
                   +1 :               0.00012727253938
                3d
                   -2 :               0.00003145147934
                   -1 :              -0.00006210443529
                   +0 :               0.00001601254403
                   +1 :               0.00000710484671
                   +2 :               0.00005485913972
              5 vec=    -2.802674    -10.359920      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00007918893637
                2s
                   +0 :              -0.00094896323102
                3s
                   +0 :               0.00031632071229
                2p
                   -1 :               0.00132362079181
                   +0 :              -0.00000619493214
                   +1 :               0.00020464031988
                3p
                   -1 :              -0.00090867655640
                   +0 :              -0.00021981322840
                   +1 :               0.00004872631991
                3d
                   -2 :              -0.00004319803580
                   -1 :               0.00006187410308
                   +0 :              -0.00004128483216
                   +1 :               0.00010770616659
                   +2 :              -0.00006369775701
              6 vec=   -10.582837      3.115717      4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00000119981945
                2s
                   +0 :               0.00015450088632
                3s
                   +0 :              -0.00007242811841
                2p
                   -1 :               0.00013688778401
                   +0 :               0.00080843121608
                   +1 :               0.00019971503285
                3p
                   -1 :              -0.00029597436389
                   +0 :              -0.00065155090681
                   +1 :              -0.00011826074761
                3d
                   -2 :               0.00001291312340
                   -1 :              -0.00003417215471
                   +0 :               0.00009545557624
                   +1 :               0.00004046359467
                   +2 :               0.00000947882208
              7 vec=   -10.582837     -5.868041      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00001464110821
                2s
                   +0 :              -0.00039215348781
                3s
                   +0 :               0.00001290155324
                2p
                   -1 :               0.00047375894623
                   +0 :              -0.00043097781218
                   +1 :              -0.00010497201581
                3p
                   -1 :              -0.00025128638693
                   +0 :               0.00027157750251
                   +1 :               0.00010143988779
                3d
                   -2 :              -0.00002305661060
                   -1 :               0.00001880627270
                   +0 :              -0.00000027924491
                   +1 :              -0.00001717314339
                   +2 :              -0.00002131671278
              8 vec=    12.757651     -1.376162      4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00004718930738
                2s
                   +0 :              -0.00037256026467
                3s
                   +0 :               0.00010122650327
                2p
                   -1 :              -0.00034895311846
                   +0 :              -0.00010647380502
                   +1 :              -0.00016426243293
                3p
                   -1 :               0.00029931229223
                   +0 :               0.00005735041032
                   +1 :               0.00000208537961
                3d
                   -2 :               0.00003199117270
                   -1 :              -0.00002347876088
                   +0 :              -0.00002232245420
                   +1 :               0.00001129628336
                   +2 :              -0.00002072474463
              9 vec=     4.977489     12.099475      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00000290954568
                2s
                   +0 :               0.00042342310036
                3s
                   +0 :               0.00009626651627
                2p
                   -1 :              -0.00025126498029
                   +0 :               0.00025458377256
                   +1 :              -0.00004781446004
                3p
                   -1 :               0.00039754675278
                   +0 :               0.00008814824613
                   +1 :               0.00003561764620
                3d
                   -2 :               0.00000757886777
                   -1 :               0.00001495199411
                   +0 :               0.00002125544476
                   +1 :              -0.00002049669932
                   +2 :              -0.00001057662060
             10 vec=    12.757651      7.607596      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00002057473837
                2s
                   +0 :               0.00013905038305
                3s
                   +0 :              -0.00002686043528
                2p
                   -1 :               0.00009062721987
                   +0 :               0.00007893766685
                   +1 :               0.00016105533539
                3p
                   -1 :              -0.00007730686211
                   +0 :              -0.00005877716720
                   +1 :              -0.00005874599661
                3d
                   -2 :              -0.00000695994310
                   -1 :               0.00000431225003
                   +0 :               0.00000847483287
                   +1 :              -0.00000548042859
                   +2 :               0.00000411781436
             11 vec=     4.977489    -14.851799      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00000092979805
                2s
                   +0 :              -0.00009335035152
                3s
                   +0 :               0.00001113104842
                2p
                   -1 :               0.00012680252762
                   +0 :              -0.00009761950732
                   +1 :              -0.00004560394526
                3p
                   -1 :              -0.00001061662932
                   +0 :               0.00004134606181
                   +1 :               0.00000816334213
                3d
                   -2 :               0.00000217331086
                   -1 :              -0.00000868571940
                   +0 :               0.00001691014258
                   +1 :               0.00000718645267
                   +2 :              -0.00000263696478
             12 vec=   -10.582837     12.099475      4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00003299822412
                2s
                   +0 :               0.00022472999294
                3s
                   +0 :              -0.00007073508750
                2p
                   -1 :               0.00005115211953
                   +0 :              -0.00011705397550
                   +1 :              -0.00012408954245
                3p
                   -1 :               0.00001851592591
                   +0 :               0.00016277065501
                   +1 :               0.00002441323697
                3d
                   -2 :               0.00000119991705
                   -1 :               0.00000146426902
                   +0 :              -0.00000237381687
                   +1 :              -0.00001261656032
                   +2 :               0.00000379026449
             13 vec=    12.757651    -10.359920      4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00001867023688
                2s
                   +0 :              -0.00012791187880
                3s
                   +0 :               0.00005096190969
                2p
                   -1 :               0.00007770173392
                   +0 :              -0.00004655804722
                   +1 :              -0.00004437070528
                3p
                   -1 :              -0.00005543433784
                   +0 :               0.00002295123040
                   +1 :               0.00000794686646
                3d
                   -2 :               0.00000589917385
                   -1 :              -0.00000192013422
                   +0 :              -0.00000622853482
                   +1 :              -0.00000090842229
                   +2 :              -0.00000095023179
             14 vec=    -2.802674     16.591354      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00001665727311
                2s
                   +0 :               0.00012869408698
                3s
                   +0 :              -0.00003152340824
                2p
                   -1 :              -0.00005827771755
                   +0 :               0.00000150439369
                   +1 :              -0.00009612294442
                3p
                   -1 :               0.00011942348907
                   +0 :               0.00003407592139
                   +1 :               0.00006283410121
                3d
                   -2 :              -0.00000629885132
                   -1 :               0.00000101167837
                   +0 :               0.00000478043437
                   +1 :               0.00000212082676
                   +2 :              -0.00000665463587
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 19)  npairs=  12
              1 vec=     4.768202      0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00100198523587
                2s
                   +0 :              -0.00271140297536
                3s
                   +0 :               0.00203416673935
                2p
                   -1 :              -0.01153275546009
                   +0 :               0.00181278201823
                   +1 :               0.00560596491169
                3p
                   -1 :               0.00038732634448
                   +0 :              -0.00006560971714
                   +1 :              -0.00280864589970
                3d
                   -2 :              -0.00122166498656
                   -1 :               0.00009503785231
                   +0 :               0.00073593092970
                   +1 :              -0.00000612455004
                   +2 :              -0.00007742007696
              2 vec=    -3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00001576073197
                2s
                   +0 :              -0.03730560096357
                3s
                   +0 :              -0.00486476228323
                2p
                   -1 :               0.01995518303344
                   +0 :              -0.00541459080429
                   +1 :               0.01725960881189
                3p
                   -1 :               0.00631066733473
                   +0 :               0.00591960005100
                   +1 :               0.00722916443754
                3d
                   -2 :              -0.00324486901109
                   -1 :              -0.00082398937705
                   +0 :               0.00175694903906
                   +1 :              -0.00037183605466
                   +2 :               0.00096899916560
              3 vec=    -3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00237422281289
                2s
                   +0 :               0.04798409992060
                3s
                   +0 :              -0.00363673039350
                2p
                   -1 :               0.02523206524885
                   +0 :              -0.00126618112385
                   +1 :              -0.02094635713231
                3p
                   -1 :               0.00147313615094
                   +0 :               0.00173414938935
                   +1 :               0.00249575956987
                3d
                   -2 :              -0.00206066601762
                   -1 :               0.00085592483750
                   +0 :              -0.00118449244058
                   +1 :               0.00050587081771
                   +2 :              -0.00090389498769
              4 vec=     4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00099080460786
                2s
                   +0 :              -0.00842381406783
                3s
                   +0 :               0.00212440808956
                2p
                   -1 :               0.00554214667859
                   +0 :               0.00000325074376
                   +1 :              -0.00647956066044
                3p
                   -1 :               0.00004178707061
                   +0 :               0.00009047228978
                   +1 :               0.00242696692645
                3d
                   -2 :               0.00027145172680
                   -1 :              -0.00019160680311
                   +0 :               0.00041315442908
                   +1 :              -0.00000692141140
                   +2 :               0.00035834603878
              5 vec=     4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00043028315735
                2s
                   +0 :               0.00523216415810
                3s
                   +0 :              -0.00033376136083
                2p
                   -1 :               0.00696864813474
                   +0 :               0.00045206680941
                   +1 :               0.00259533717730
                3p
                   -1 :              -0.00088942035228
                   +0 :              -0.00011359220483
                   +1 :              -0.00027017925481
                3d
                   -2 :               0.00027474291358
                   -1 :               0.00006530881712
                   +0 :              -0.00010782442800
                   +1 :               0.00004720971948
                   +2 :              -0.00018545380815
              6 vec=   -10.792123     -0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00021142076868
                2s
                   +0 :               0.00107701322057
                3s
                   +0 :              -0.00073999809865
                2p
                   -1 :              -0.00109974673568
                   +0 :               0.00051600977637
                   +1 :              -0.00067714498115
                3p
                   -1 :               0.00048604833994
                   +0 :              -0.00048232096849
                   +1 :               0.00064384134680
                3d
                   -2 :               0.00002627930653
                   -1 :              -0.00006549280084
                   +0 :               0.00004417499405
                   +1 :               0.00002721755415
                   +2 :              -0.00008821171123
              7 vec=    12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00005603214264
                2s
                   +0 :               0.00019466580950
                3s
                   +0 :              -0.00015876570798
                2p
                   -1 :              -0.00007942812756
                   +0 :               0.00013520821032
                   +1 :              -0.00015713139458
                3p
                   -1 :               0.00007560218096
                   +0 :              -0.00012784350367
                   +1 :               0.00005037792973
                3d
                   -2 :               0.00000775021886
                   -1 :               0.00001172235452
                   +0 :              -0.00001457305647
                   +1 :              -0.00000329063328
                   +2 :               0.00000324110620
              8 vec=    12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00004374909824
                2s
                   +0 :               0.00075121198675
                3s
                   +0 :              -0.00005183438567
                2p
                   -1 :               0.00020252661204
                   +0 :              -0.00000434199677
                   +1 :               0.00030608989590
                3p
                   -1 :              -0.00017233191355
                   +0 :               0.00001464163912
                   +1 :               0.00019681762329
                3d
                   -2 :               0.00000787890273
                   -1 :               0.00000108193664
                   +0 :              -0.00001364691798
                   +1 :              -0.00000072730083
                   +2 :               0.00005061693183
              9 vec=    -3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00006610481387
                2s
                   +0 :              -0.00092870936066
                3s
                   +0 :               0.00017819780590
                2p
                   -1 :               0.00061511147589
                   +0 :              -0.00003532533543
                   +1 :              -0.00044468688462
                3p
                   -1 :              -0.00013668176114
                   +0 :               0.00003581818937
                   +1 :               0.00027490453662
                3d
                   -2 :              -0.00001430950225
                   -1 :              -0.00001529949381
                   +0 :               0.00001992043284
                   +1 :               0.00001905106528
                   +2 :               0.00000292861490
             10 vec=    -3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00003067879128
                2s
                   +0 :               0.00061554521634
                3s
                   +0 :               0.00001023350854
                2p
                   -1 :               0.00048224718232
                   +0 :               0.00009958912733
                   +1 :              -0.00035801363414
                3p
                   -1 :               0.00001795143142
                   +0 :              -0.00007262558827
                   +1 :               0.00030488488387
                3d
                   -2 :               0.00004568671683
                   -1 :               0.00000929711802
                   +0 :              -0.00002579857698
                   +1 :               0.00000902476202
                   +2 :              -0.00001381454961
             11 vec=   -10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00002746222006
                2s
                   +0 :               0.00005205758332
                3s
                   +0 :              -0.00005761896749
                2p
                   -1 :              -0.00009550372537
                   +0 :               0.00017011582051
                   +1 :              -0.00015463583335
                3p
                   -1 :              -0.00003955748243
                   +0 :              -0.00015658932979
                   +1 :               0.00012295341469
                3d
                   -2 :               0.00002567712186
                   -1 :               0.00000457096680
                   +0 :               0.00000387789212
                   +1 :               0.00000676778932
                   +2 :              -0.00000176864009
             12 vec=   -10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00004880893521
                2s
                   +0 :               0.00057182875263
                3s
                   +0 :              -0.00008986573740
                2p
                   -1 :              -0.00013200343879
                   +0 :              -0.00020468047406
                   +1 :              -0.00053441744544
                3p
                   -1 :              -0.00001136697970
                   +0 :               0.00017936629037
                   +1 :               0.00020197346082
                3d
                   -2 :               0.00002300134462
                   -1 :               0.00001098466726
                   +0 :               0.00000487678098
                   +1 :               0.00000287616622
                   +2 :              -0.00000291743451
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 20)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00084381734665
                2s
                   +0 :               0.00124155594150
                3s
                   +0 :               0.00361946138482
                2p
                   -1 :               0.87806715302735
                   +0 :              -0.02582426279812
                   +1 :              -0.00859715219881
                3p
                   -1 :              -0.04294930355855
                   +0 :               0.00945474609348
                   +1 :               0.00389608991023
                3d
                   -2 :               0.00071949446589
                   -1 :              -0.00234802861430
                   +0 :               0.00075786922319
                   +1 :              -0.00183941081321
                   +2 :               0.00292652823625
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027483830152
                2s
                   +0 :              -0.00098244241311
                3s
                   +0 :               0.00012936590380
                2p
                   -1 :              -0.00119897163019
                   +0 :               0.00005594448760
                   +1 :               0.00164562852441
                3p
                   -1 :              -0.00071836271080
                   +0 :              -0.00011091182953
                   +1 :               0.00061431905889
                3d
                   -2 :               0.00029508736073
                   -1 :               0.00001248875390
                   +0 :               0.00005985177094
                   +1 :              -0.00020441954921
                   +2 :              -0.00033015328003
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00028160517074
                2s
                   +0 :               0.00177426818677
                3s
                   +0 :              -0.00083845211796
                2p
                   -1 :              -0.00235304218810
                   +0 :              -0.00008767631579
                   +1 :              -0.00376675303938
                3p
                   -1 :               0.00067512916917
                   +0 :               0.00001865508536
                   +1 :               0.00163179154573
                3d
                   -2 :              -0.00002832990495
                   -1 :               0.00007334333437
                   +0 :               0.00008668443571
                   +1 :              -0.00001172698230
                   +2 :               0.00007184092986
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00006569771323
                2s
                   +0 :              -0.00000248388057
                3s
                   +0 :              -0.00020221889593
                2p
                   -1 :               0.00025442306786
                   +0 :               0.00010629487887
                   +1 :               0.00249827840286
                3p
                   -1 :               0.00076514567717
                   +0 :              -0.00011130894318
                   +1 :              -0.00096344343063
                3d
                   -2 :              -0.00013161431678
                   -1 :               0.00001577159325
                   +0 :              -0.00016746660255
                   +1 :               0.00015469385925
                   +2 :               0.00020292764057
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00025659426595
                2s
                   +0 :               0.00139747046566
                3s
                   +0 :              -0.00041984322746
                2p
                   -1 :               0.00121581363673
                   +0 :              -0.00143324123447
                   +1 :               0.00063821266526
                3p
                   -1 :               0.00007965943091
                   +0 :               0.00134450430071
                   +1 :              -0.00128914242323
                3d
                   -2 :              -0.00023806484906
                   -1 :               0.00000232849906
                   +0 :              -0.00013373411907
                   +1 :               0.00000056109519
                   +2 :               0.00013678714037
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00036804510904
                2s
                   +0 :              -0.00184439283730
                3s
                   +0 :               0.00121902956637
                2p
                   -1 :              -0.00199189895383
                   +0 :              -0.00028858248413
                   +1 :              -0.00185080298323
                3p
                   -1 :               0.00029893588623
                   +0 :               0.00037815637496
                   +1 :               0.00139750051646
                3d
                   -2 :              -0.00019057666924
                   -1 :              -0.00004746829811
                   +0 :               0.00000808658059
                   +1 :              -0.00002139633128
                   +2 :               0.00001476687891
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00007214240206
                2s
                   +0 :               0.00061877315904
                3s
                   +0 :               0.00005970270886
                2p
                   -1 :              -0.00231492408898
                   +0 :               0.00045139567124
                   +1 :               0.00372426933778
                3p
                   -1 :               0.00028298566906
                   +0 :              -0.00041995343656
                   +1 :              -0.00107942895386
                3d
                   -2 :              -0.00013209865250
                   -1 :              -0.00004079019861
                   +0 :               0.00002759146665
                   +1 :              -0.00004370858608
                   +2 :               0.00006860715867
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001670441887
                2s
                   +0 :              -0.00010827425788
                3s
                   +0 :               0.00005744129270
                2p
                   -1 :              -0.00003767601052
                   +0 :               0.00012008649467
                   +1 :              -0.00008150919427
                3p
                   -1 :              -0.00000196653730
                   +0 :              -0.00010663623103
                   +1 :               0.00009056706424
                3d
                   -2 :              -0.00001201764646
                   -1 :              -0.00000084598884
                   +0 :               0.00001936899601
                   +1 :               0.00000799477758
                   +2 :              -0.00001420559062
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000119973703
                2s
                   +0 :              -0.00056144002367
                3s
                   +0 :              -0.00007811159759
                2p
                   -1 :               0.00086609141902
                   +0 :               0.00033723967879
                   +1 :               0.00074151314749
                3p
                   -1 :              -0.00020621394095
                   +0 :              -0.00032985334538
                   +1 :              -0.00026138197316
                3d
                   -2 :               0.00000523134805
                   -1 :               0.00004836791488
                   +0 :              -0.00001216575527
                   +1 :               0.00000627832461
                   +2 :               0.00003515816619
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00005768768823
                2s
                   +0 :               0.00082915723237
                3s
                   +0 :              -0.00005940190089
                2p
                   -1 :               0.00081246126416
                   +0 :              -0.00013207299071
                   +1 :              -0.00030536366789
                3p
                   -1 :              -0.00006464800899
                   +0 :               0.00009192668722
                   +1 :              -0.00001503748331
                3d
                   -2 :              -0.00003260991624
                   -1 :               0.00000059160723
                   +0 :              -0.00002027662424
                   +1 :              -0.00000757188198
                   +2 :              -0.00002627835612
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00008227571715
                2s
                   +0 :              -0.00106389809055
                3s
                   +0 :               0.00013227199247
                2p
                   -1 :               0.00087307779438
                   +0 :              -0.00010575798038
                   +1 :              -0.00096471094181
                3p
                   -1 :              -0.00010857683021
                   +0 :               0.00006498181565
                   +1 :               0.00026045534704
                3d
                   -2 :               0.00004110731318
                   -1 :              -0.00000347966827
                   +0 :               0.00001236225775
                   +1 :               0.00000733372929
                   +2 :               0.00002616517861
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00009784370980
                2s
                   +0 :               0.00113176164224
                3s
                   +0 :              -0.00015746028867
                2p
                   -1 :               0.00083945153331
                   +0 :               0.00007092726052
                   +1 :               0.00058562294878
                3p
                   -1 :              -0.00005711940892
                   +0 :              -0.00007070058631
                   +1 :              -0.00006020437288
                3d
                   -2 :               0.00005519139642
                   -1 :              -0.00001876485500
                   +0 :              -0.00003433130802
                   +1 :               0.00001293571599
                   +2 :              -0.00001780734147
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003030040178
                2s
                   +0 :               0.00021496621223
                3s
                   +0 :              -0.00010931468194
                2p
                   -1 :              -0.00013969438473
                   +0 :              -0.00013491625452
                   +1 :               0.00021715198376
                3p
                   -1 :               0.00008580719032
                   +0 :               0.00012547516311
                   +1 :              -0.00013939918765
                3d
                   -2 :               0.00000499051425
                   -1 :              -0.00000073172288
                   +0 :               0.00000666003884
                   +1 :              -0.00000350873722
                   +2 :              -0.00000824365768
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000690404821
                2s
                   +0 :              -0.00006286398872
                3s
                   +0 :               0.00000484681163
                2p
                   -1 :               0.00004922530667
                   +0 :               0.00001235738918
                   +1 :               0.00001203439517
                3p
                   -1 :              -0.00000119935284
                   +0 :              -0.00000750519217
                   +1 :               0.00001478986722
                3d
                   -2 :               0.00000036160110
                   -1 :               0.00000351209043
                   +0 :              -0.00000036942141
                   +1 :               0.00000230773177
                   +2 :               0.00000310987437
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000060924050
                2s
                   +0 :               0.00003103162753
                3s
                   +0 :               0.00001329138660
                2p
                   -1 :              -0.00002237445538
                   +0 :              -0.00004774415571
                   +1 :              -0.00003902560934
                3p
                   -1 :               0.00002299943975
                   +0 :               0.00003829969054
                   +1 :              -0.00002585805532
                3d
                   -2 :              -0.00000086823934
                   -1 :               0.00000088185310
                   +0 :              -0.00000226391381
                   +1 :              -0.00000383919700
                   +2 :               0.00000273875645
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001058518823
                2s
                   +0 :              -0.00014959829551
                3s
                   +0 :               0.00001578669623
                2p
                   -1 :               0.00016026017954
                   +0 :              -0.00006493581100
                   +1 :               0.00001597726633
                3p
                   -1 :              -0.00001181451922
                   +0 :               0.00004496939915
                   +1 :              -0.00001587870756
                3d
                   -2 :               0.00000187845045
                   -1 :              -0.00000432919829
                   +0 :               0.00000404646605
                   +1 :              -0.00000474397348
                   +2 :              -0.00000118459004
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002538641426
                2s
                   +0 :               0.00025656171181
                3s
                   +0 :              -0.00006118662519
                2p
                   -1 :               0.00021817232315
                   +0 :               0.00001853236318
                   +1 :               0.00006473982909
                3p
                   -1 :              -0.00005162104565
                   +0 :              -0.00002167411400
                   +1 :              -0.00004543765065
                3d
                   -2 :              -0.00000167021571
                   -1 :              -0.00000546674712
                   +0 :              -0.00000253905577
                   +1 :               0.00000415962895
                   +2 :               0.00000029153725
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001801394049
                2s
                   +0 :              -0.00015554537711
                3s
                   +0 :               0.00004201054375
                2p
                   -1 :              -0.00000226663243
                   +0 :               0.00005296571587
                   +1 :              -0.00019019000894
                3p
                   -1 :               0.00000561402595
                   +0 :              -0.00004961016450
                   +1 :               0.00008661360317
                3d
                   -2 :               0.00000048151496
                   -1 :               0.00000269246410
                   +0 :               0.00000275787686
                   +1 :              -0.00000364864972
                   +2 :              -0.00000030148366
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000570639631
                2s
                   +0 :               0.00006272743367
                3s
                   +0 :              -0.00000594294678
                2p
                   -1 :               0.00004310448922
                   +0 :              -0.00000658342014
                   +1 :               0.00005185367987
                3p
                   -1 :               0.00001031052191
                   +0 :              -0.00000014676227
                   +1 :              -0.00001876426402
                3d
                   -2 :               0.00000331309131
                   -1 :               0.00000017786675
                   +0 :              -0.00000012378139
                   +1 :               0.00000047895536
                   +2 :              -0.00000554562588
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 21)  npairs=  12
              1 vec=     2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00483533635100
                2s
                   +0 :               0.10069173928398
                3s
                   +0 :              -0.01123893256587
                2p
                   -1 :               0.05092936029335
                   +0 :              -0.00280345971160
                   +1 :               0.02869696715961
                3p
                   -1 :              -0.00771083283565
                   +0 :               0.00331746855645
                   +1 :              -0.00097062115026
                3d
                   -2 :               0.00355523728613
                   -1 :               0.00054114073741
                   +0 :              -0.00242573325593
                   +1 :              -0.00069161738596
                   +2 :              -0.00011463017093
              2 vec=    -5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00132642945184
                2s
                   +0 :              -0.00752684268719
                3s
                   +0 :               0.00488574931642
                2p
                   -1 :              -0.00449362520528
                   +0 :              -0.00439715618589
                   +1 :               0.00715570161924
                3p
                   -1 :              -0.00078515937429
                   +0 :               0.00427773304065
                   +1 :              -0.00662560807191
                3d
                   -2 :               0.00089346001431
                   -1 :               0.00012128228631
                   +0 :              -0.00020508793783
                   +1 :              -0.00007159267971
                   +2 :               0.00052050516509
              3 vec=     2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00105218635595
                2s
                   +0 :              -0.04727046627041
                3s
                   +0 :              -0.00221444724676
                2p
                   -1 :               0.03067316372585
                   +0 :              -0.00339810320443
                   +1 :              -0.01821027320287
                3p
                   -1 :               0.00279468719720
                   +0 :               0.00390144231119
                   +1 :              -0.00367638043720
                3d
                   -2 :               0.00284118412574
                   -1 :               0.00010532627404
                   +0 :               0.00169085017285
                   +1 :               0.00125143292103
                   +2 :               0.00144469914349
              4 vec=    -5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00069170700954
                2s
                   +0 :               0.00636914448858
                3s
                   +0 :              -0.00143965904770
                2p
                   -1 :               0.00661607399797
                   +0 :               0.00032855657305
                   +1 :              -0.00195396251454
                3p
                   -1 :              -0.00183403416085
                   +0 :              -0.00013464673224
                   +1 :              -0.00053392077632
                3d
                   -2 :              -0.00028039582399
                   -1 :               0.00005560390045
                   +0 :              -0.00016321101554
                   +1 :              -0.00013947021927
                   +2 :              -0.00001661664136
              5 vec=    10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00003033637373
                2s
                   +0 :              -0.00002877370737
                3s
                   +0 :               0.00000476189173
                2p
                   -1 :              -0.00013458462701
                   +0 :               0.00026839277071
                   +1 :              -0.00019343092439
                3p
                   -1 :              -0.00019001463527
                   +0 :              -0.00024499530831
                   +1 :               0.00055877825496
                3d
                   -2 :               0.00000857147531
                   -1 :               0.00004037769229
                   +0 :              -0.00011424795670
                   +1 :              -0.00003233914156
                   +2 :               0.00009159824306
              6 vec=    -5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00097206050889
                2s
                   +0 :              -0.00770456996183
                3s
                   +0 :               0.00254824972572
                2p
                   -1 :               0.00594506749888
                   +0 :               0.00167172165973
                   +1 :               0.00397949438870
                3p
                   -1 :              -0.00211226443717
                   +0 :              -0.00159553312079
                   +1 :              -0.00160132220995
                3d
                   -2 :               0.00000428678415
                   -1 :               0.00007528961482
                   +0 :               0.00003099702012
                   +1 :               0.00005596194688
                   +2 :               0.00003762693836
              7 vec=     2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00003662993849
                2s
                   +0 :               0.00078335973050
                3s
                   +0 :               0.00006881199931
                2p
                   -1 :               0.00001205585395
                   +0 :               0.00000867838446
                   +1 :              -0.00037501686447
                3p
                   -1 :               0.00029285351561
                   +0 :               0.00000884342580
                   +1 :               0.00002399608196
                3d
                   -2 :              -0.00003429927088
                   -1 :               0.00000750758202
                   +0 :              -0.00001564884066
                   +1 :              -0.00000839307973
                   +2 :               0.00001162829897
              8 vec=    10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00000345914698
                2s
                   +0 :               0.00017101881192
                3s
                   +0 :               0.00004612579733
                2p
                   -1 :              -0.00035585283547
                   +0 :               0.00009342973906
                   +1 :               0.00001671602161
                3p
                   -1 :               0.00012381427792
                   +0 :              -0.00009257019494
                   +1 :               0.00004876290518
                3d
                   -2 :              -0.00003332075146
                   -1 :               0.00000924200829
                   +0 :              -0.00001851084865
                   +1 :              -0.00000112282776
                   +2 :              -0.00001741078171
              9 vec=   -13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00002496485432
                2s
                   +0 :               0.00035025252529
                3s
                   +0 :              -0.00005503607432
                2p
                   -1 :               0.00014790705978
                   +0 :               0.00003870047756
                   +1 :              -0.00018708012160
                3p
                   -1 :              -0.00021849891200
                   +0 :              -0.00002079015455
                   +1 :              -0.00010915686512
                3d
                   -2 :               0.00001919161571
                   -1 :               0.00000001564423
                   +0 :              -0.00002244762047
                   +1 :              -0.00000802336522
                   +2 :               0.00004940210238
             10 vec=    10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00003132164158
                2s
                   +0 :               0.00003421658541
                3s
                   +0 :              -0.00013187473568
                2p
                   -1 :              -0.00031219694435
                   +0 :               0.00013550727740
                   +1 :              -0.00011078800496
                3p
                   -1 :               0.00005378470294
                   +0 :              -0.00011973550964
                   +1 :              -0.00017666942990
                3d
                   -2 :              -0.00002266520592
                   -1 :              -0.00000172423467
                   +0 :               0.00003820389257
                   +1 :               0.00000343934780
                   +2 :              -0.00005432830449
             11 vec=   -13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00005989348669
                2s
                   +0 :              -0.00065366449530
                3s
                   +0 :               0.00014648092908
                2p
                   -1 :               0.00014919148244
                   +0 :               0.00002369910348
                   +1 :               0.00042347416126
                3p
                   -1 :              -0.00007562088280
                   +0 :              -0.00003480205131
                   +1 :              -0.00000085913821
                3d
                   -2 :               0.00000166750414
                   -1 :              -0.00000272272766
                   +0 :               0.00000428490145
                   +1 :               0.00001110127271
                   +2 :              -0.00002312341553
             12 vec=     2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00010567085423
                2s
                   +0 :              -0.00107412785312
                3s
                   +0 :               0.00025306079703
                2p
                   -1 :               0.00072592297302
                   +0 :              -0.00018944829281
                   +1 :               0.00052203043658
                3p
                   -1 :              -0.00034236785445
                   +0 :               0.00015533722601
                   +1 :              -0.00022236416321
                3d
                   -2 :              -0.00000832846794
                   -1 :              -0.00000299861535
                   +0 :              -0.00002486173580
                   +1 :               0.00000200408799
                   +2 :              -0.00003238093631
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 22)  npairs=  14
              1 vec=     0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000280369912
                2s
                   +0 :              -0.00008106955375
                3s
                   +0 :               0.00000086972119
                2p
                   -1 :              -0.00005233077984
                   +0 :              -0.00001087006789
                   +1 :              -0.00006772550373
                3p
                   -1 :               0.00000533606529
                   +0 :               0.00011126667762
                   +1 :               0.00009754945231
                3d
                   -2 :               0.00002683490198
                   -1 :              -0.00001177505718
                   +0 :              -0.00003729504349
                   +1 :              -0.00003858621972
                   +2 :               0.00002676839195
              2 vec=     0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000220171747
                2s
                   +0 :               0.00020537747911
                3s
                   +0 :               0.00000456606287
                2p
                   -1 :              -0.00018754457444
                   +0 :               0.00007560157452
                   +1 :              -0.00012358748183
                3p
                   -1 :              -0.00001525350705
                   +0 :               0.00000737162272
                   +1 :               0.00010021278790
                3d
                   -2 :              -0.00001538838082
                   -1 :              -0.00001390443042
                   +0 :               0.00000650201250
                   +1 :              -0.00000030631425
                   +2 :               0.00000424446188
              3 vec=     0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00001942113825
                2s
                   +0 :              -0.00035381954721
                3s
                   +0 :              -0.00000994142629
                2p
                   -1 :              -0.00002883725766
                   +0 :               0.00003106504313
                   +1 :               0.00010994656343
                3p
                   -1 :               0.00002724003201
                   +0 :               0.00013988702438
                   +1 :              -0.00007222173617
                3d
                   -2 :              -0.00002143026293
                   -1 :               0.00001005762151
                   +0 :              -0.00004495545675
                   +1 :               0.00000669668956
                   +2 :              -0.00000536259018
              4 vec=     0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001105809014
                2s
                   +0 :              -0.00012621749048
                3s
                   +0 :              -0.00019063466598
                2p
                   -1 :               0.00008145191778
                   +0 :              -0.00007834193559
                   +1 :               0.00039288595102
                3p
                   -1 :               0.00001216161804
                   +0 :              -0.00030733462056
                   +1 :              -0.00024324339102
                3d
                   -2 :              -0.00000164898981
                   -1 :               0.00003177933506
                   +0 :              -0.00005275226932
                   +1 :               0.00000491491464
                   +2 :              -0.00000167505387
              5 vec=    -7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000820961017
                2s
                   +0 :              -0.00010353261609
                3s
                   +0 :              -0.00007700916301
                2p
                   -1 :               0.00025371952469
                   +0 :              -0.00009928553989
                   +1 :              -0.00005480996050
                3p
                   -1 :              -0.00019193616059
                   +0 :               0.00026288739494
                   +1 :               0.00010145934035
                3d
                   -2 :              -0.00000035407008
                   -1 :              -0.00000437962081
                   +0 :              -0.00003051443337
                   +1 :              -0.00002022342708
                   +2 :               0.00000051128413
              6 vec=    -7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000560230291
                2s
                   +0 :              -0.00010895932649
                3s
                   +0 :              -0.00003211793888
                2p
                   -1 :              -0.00002011542631
                   +0 :               0.00006330871926
                   +1 :              -0.00003185505081
                3p
                   -1 :               0.00009489172087
                   +0 :              -0.00024541711557
                   +1 :               0.00007807109631
                3d
                   -2 :              -0.00000267760766
                   -1 :               0.00002266463933
                   +0 :              -0.00001919922597
                   +1 :               0.00001287992955
                   +2 :              -0.00001593553770
              7 vec=     7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00005532550758
                2s
                   +0 :              -0.00053811083299
                3s
                   +0 :               0.00011911700774
                2p
                   -1 :               0.00000004438022
                   +0 :               0.00027156385764
                   +1 :              -0.00004971984776
                3p
                   -1 :               0.00000543303311
                   +0 :              -0.00003184299546
                   +1 :              -0.00006689331218
                3d
                   -2 :              -0.00002340582252
                   -1 :              -0.00001570657780
                   +0 :               0.00001300691987
                   +1 :               0.00000076834204
                   +2 :              -0.00000174196113
              8 vec=     7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002273560724
                2s
                   +0 :              -0.00021975176220
                3s
                   +0 :               0.00004161747981
                2p
                   -1 :               0.00017671644514
                   +0 :              -0.00009490775357
                   +1 :              -0.00000787260950
                3p
                   -1 :              -0.00008238219256
                   +0 :              -0.00002056369705
                   +1 :              -0.00003401202707
                3d
                   -2 :               0.00001002746048
                   -1 :               0.00001264784473
                   +0 :              -0.00000111139159
                   +1 :              -0.00000097031616
                   +2 :              -0.00001240776441
              9 vec=    -7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001922660873
                2s
                   +0 :               0.00020273690246
                3s
                   +0 :              -0.00003821212807
                2p
                   -1 :              -0.00005446558343
                   +0 :              -0.00001144326891
                   +1 :              -0.00009404761550
                3p
                   -1 :               0.00010403608776
                   +0 :              -0.00004606570450
                   +1 :               0.00004751739960
                3d
                   -2 :              -0.00000821515391
                   -1 :              -0.00000436562324
                   +0 :              -0.00000182291833
                   +1 :              -0.00000870562840
                   +2 :              -0.00001146287187
             10 vec=    -7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00002284876291
                2s
                   +0 :               0.00013383943137
                3s
                   +0 :              -0.00008001621982
                2p
                   -1 :              -0.00006693586951
                   +0 :               0.00022172954121
                   +1 :              -0.00011326948594
                3p
                   -1 :               0.00005521103231
                   +0 :              -0.00013214798026
                   +1 :               0.00006775313306
                3d
                   -2 :               0.00000525864918
                   -1 :              -0.00000545877327
                   +0 :              -0.00000558455595
                   +1 :               0.00001071032028
                   +2 :               0.00000370230605
             11 vec=     7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002723713336
                2s
                   +0 :              -0.00023451915016
                3s
                   +0 :               0.00005565156755
                2p
                   -1 :              -0.00013118907069
                   +0 :               0.00009506015870
                   +1 :              -0.00009700568921
                3p
                   -1 :               0.00009799047988
                   +0 :              -0.00011272848263
                   +1 :              -0.00003715549623
                3d
                   -2 :              -0.00001067125661
                   -1 :              -0.00000318508786
                   +0 :               0.00002392244506
                   +1 :               0.00001829460359
                   +2 :              -0.00002040843642
             12 vec=     7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001032870812
                2s
                   +0 :               0.00006747424730
                3s
                   +0 :              -0.00000827120048
                2p
                   -1 :              -0.00003012820583
                   +0 :              -0.00001614787239
                   +1 :              -0.00002879106031
                3p
                   -1 :              -0.00000848495921
                   +0 :               0.00003933007202
                   +1 :               0.00007879301133
                3d
                   -2 :               0.00000087556093
                   -1 :               0.00000353338074
                   +0 :               0.00000653145782
                   +1 :               0.00000178393714
                   +2 :              -0.00000168022540
             13 vec=     0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001328603274
                2s
                   +0 :               0.00019128782796
                3s
                   +0 :              -0.00001918490816
                2p
                   -1 :               0.00017733502883
                   +0 :              -0.00008676803036
                   +1 :               0.00006385081030
                3p
                   -1 :              -0.00008325438287
                   +0 :               0.00001023120763
                   +1 :               0.00000156054238
                3d
                   -2 :               0.00000358865945
                   -1 :               0.00000471935576
                   +0 :              -0.00000319640634
                   +1 :               0.00000026225273
                   +2 :               0.00000471382371
             14 vec=     0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001149695895
                2s
                   +0 :               0.00012089667669
                3s
                   +0 :               0.00000239641691
                2p
                   -1 :               0.00008539374235
                   +0 :               0.00003141089173
                   +1 :              -0.00001259743049
                3p
                   -1 :               0.00003106364593
                   +0 :               0.00004514649506
                   +1 :               0.00002659846013
                3d
                   -2 :               0.00001149723971
                   -1 :               0.00000011719018
                   +0 :              -0.00000151044298
                   +1 :               0.00000383160812
                   +2 :              -0.00000153413956
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 23)  npairs=  18
              1 vec=    -3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00010887182460
                2s
                   +0 :              -0.00092707659668
                3s
                   +0 :               0.00035659049067
                2p
                   -1 :               0.00031759471114
                   +0 :               0.00065264783296
                   +1 :              -0.00012091571694
                3p
                   -1 :              -0.00008249615816
                   +0 :              -0.00046713507301
                   +1 :               0.00014375160331
                3d
                   -2 :              -0.00001326951688
                   -1 :              -0.00002018993837
                   +0 :               0.00007138629238
                   +1 :              -0.00001565171212
                   +2 :              -0.00000284827873
              2 vec=    -3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00011345197407
                2s
                   +0 :               0.00082066457985
                3s
                   +0 :              -0.00044287229206
                2p
                   -1 :              -0.00000312612540
                   +0 :               0.00055144837463
                   +1 :              -0.00018151281016
                3p
                   -1 :              -0.00000100191281
                   +0 :              -0.00049644040240
                   +1 :               0.00006908432964
                3d
                   -2 :               0.00001021141512
                   -1 :              -0.00001462490850
                   +0 :              -0.00003704386605
                   +1 :               0.00000573625485
                   +2 :              -0.00000079496710
              3 vec=     4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00000088733151
                2s
                   +0 :               0.00011744965912
                3s
                   +0 :               0.00006484249094
                2p
                   -1 :              -0.00057625987725
                   +0 :               0.00015231280838
                   +1 :               0.00012762850388
                3p
                   -1 :               0.00010663614371
                   +0 :              -0.00017547261521
                   +1 :               0.00003192415673
                3d
                   -2 :               0.00000213323127
                   -1 :               0.00001621699925
                   +0 :              -0.00000496404572
                   +1 :              -0.00001667664063
                   +2 :              -0.00000704834091
              4 vec=     4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00008710061621
                2s
                   +0 :               0.00051526508989
                3s
                   +0 :              -0.00022810936334
                2p
                   -1 :              -0.00017405967089
                   +0 :               0.00026984720698
                   +1 :               0.00021342502778
                3p
                   -1 :              -0.00019576040063
                   +0 :              -0.00022791141819
                   +1 :               0.00007182099752
                3d
                   -2 :              -0.00002683800741
                   -1 :              -0.00004922932235
                   +0 :              -0.00002294786115
                   +1 :               0.00003324522330
                   +2 :              -0.00000577551524
              5 vec=    -3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00003362000913
                2s
                   +0 :               0.00044522966383
                3s
                   +0 :              -0.00008781552969
                2p
                   -1 :               0.00011724947509
                   +0 :              -0.00040499183173
                   +1 :               0.00015421310391
                3p
                   -1 :              -0.00001402000947
                   +0 :               0.00014485116530
                   +1 :              -0.00004817792496
                3d
                   -2 :               0.00000821167676
                   -1 :              -0.00000370916811
                   +0 :              -0.00000625732440
                   +1 :              -0.00000524786220
                   +2 :              -0.00000331675704
              6 vec=    -3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00003651753384
                2s
                   +0 :               0.00067398484146
                3s
                   +0 :              -0.00004094203515
                2p
                   -1 :               0.00036059013396
                   +0 :               0.00062500715731
                   +1 :               0.00010480889730
                3p
                   -1 :               0.00001896817974
                   +0 :               0.00003044823111
                   +1 :              -0.00010084364877
                3d
                   -2 :              -0.00000465355375
                   -1 :               0.00001149423202
                   +0 :               0.00003000086919
                   +1 :              -0.00000729387952
                   +2 :              -0.00001914333712
              7 vec=     4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004830845429
                2s
                   +0 :              -0.00053220529435
                3s
                   +0 :               0.00013161455322
                2p
                   -1 :               0.00006580517798
                   +0 :               0.00008232893863
                   +1 :              -0.00004137216370
                3p
                   -1 :              -0.00002096509691
                   +0 :               0.00004919919299
                   +1 :              -0.00006317325002
                3d
                   -2 :               0.00001708431363
                   -1 :               0.00002380395108
                   +0 :              -0.00003498473688
                   +1 :               0.00001931207452
                   +2 :              -0.00004277131446
              8 vec=     4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003054099583
                2s
                   +0 :              -0.00021477278351
                3s
                   +0 :               0.00010852935533
                2p
                   -1 :              -0.00024707690544
                   +0 :              -0.00015271694163
                   +1 :              -0.00030444195724
                3p
                   -1 :               0.00017429691727
                   +0 :               0.00011036313875
                   +1 :               0.00017355424494
                3d
                   -2 :               0.00000834882465
                   -1 :               0.00000762635561
                   +0 :               0.00002287065173
                   +1 :               0.00000772767897
                   +2 :              -0.00000128663608
              9 vec=   -10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000256971257
                2s
                   +0 :               0.00001723378587
                3s
                   +0 :               0.00000745140960
                2p
                   -1 :              -0.00007585027514
                   +0 :              -0.00000945526812
                   +1 :               0.00002432849854
                3p
                   -1 :               0.00001932729311
                   +0 :               0.00002905514284
                   +1 :              -0.00001658571256
                3d
                   -2 :              -0.00000286509839
                   -1 :               0.00000302367523
                   +0 :              -0.00000036451606
                   +1 :              -0.00000145110161
                   +2 :               0.00000251918387
             10 vec=   -10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002658636233
                2s
                   +0 :              -0.00015192482226
                3s
                   +0 :               0.00011081013605
                2p
                   -1 :               0.00002413135450
                   +0 :              -0.00005535254412
                   +1 :               0.00017708815730
                3p
                   -1 :              -0.00005291658013
                   +0 :               0.00006208158396
                   +1 :              -0.00018231435628
                3d
                   -2 :               0.00000112226244
                   -1 :               0.00000543496456
                   +0 :               0.00000288824018
                   +1 :              -0.00000890294730
                   +2 :               0.00000522536516
             11 vec=    -3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000051127988
                2s
                   +0 :              -0.00004532012313
                3s
                   +0 :              -0.00005828271616
                2p
                   -1 :              -0.00003981020656
                   +0 :              -0.00020923245360
                   +1 :               0.00005997755253
                3p
                   -1 :               0.00009131684006
                   +0 :               0.00028687988645
                   +1 :              -0.00004434639267
                3d
                   -2 :               0.00000208790452
                   -1 :              -0.00001666959817
                   +0 :              -0.00002837349276
                   +1 :               0.00000312671852
                   +2 :              -0.00000926534783
             12 vec=    -3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000640873348
                2s
                   +0 :               0.00001232124553
                3s
                   +0 :              -0.00002376364021
                2p
                   -1 :              -0.00000688145134
                   +0 :               0.00002540706373
                   +1 :              -0.00013495390331
                3p
                   -1 :               0.00002994347432
                   +0 :              -0.00006979213487
                   +1 :               0.00012736992343
                3d
                   -2 :              -0.00001191106008
                   -1 :               0.00000101217326
                   +0 :              -0.00000163661483
                   +1 :               0.00001078557356
                   +2 :              -0.00000370728105
             13 vec=   -10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000999753458
                2s
                   +0 :              -0.00010522594681
                3s
                   +0 :               0.00000867131752
                2p
                   -1 :               0.00001594617458
                   +0 :               0.00003348752790
                   +1 :               0.00001077353602
                3p
                   -1 :               0.00002360083528
                   +0 :              -0.00000031247965
                   +1 :               0.00001852597522
                3d
                   -2 :              -0.00000463174967
                   -1 :              -0.00000739676465
                   +0 :               0.00000356967902
                   +1 :              -0.00000134803237
                   +2 :               0.00000425896574
             14 vec=   -10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001408130591
                2s
                   +0 :              -0.00012055605909
                3s
                   +0 :               0.00002869538117
                2p
                   -1 :              -0.00005728397538
                   +0 :              -0.00006253091303
                   +1 :               0.00008945576255
                3p
                   -1 :               0.00006665427891
                   +0 :              -0.00000023126387
                   +1 :              -0.00003052838613
                3d
                   -2 :              -0.00000636657500
                   -1 :               0.00000044778651
                   +0 :              -0.00000325104478
                   +1 :              -0.00000209308527
                   +2 :               0.00000380150128
             15 vec=     4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000128388700
                2s
                   +0 :               0.00003429482730
                3s
                   +0 :               0.00001144599983
                2p
                   -1 :               0.00003260700765
                   +0 :               0.00006993353474
                   +1 :              -0.00000888264748
                3p
                   -1 :              -0.00004313391552
                   +0 :              -0.00006044466953
                   +1 :               0.00003357260974
                3d
                   -2 :               0.00000033483471
                   -1 :              -0.00000143961850
                   +0 :               0.00000218503130
                   +1 :              -0.00000458013050
                   +2 :               0.00000211264811
             16 vec=     4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000108443294
                2s
                   +0 :               0.00001875947676
                3s
                   +0 :               0.00000582412618
                2p
                   -1 :               0.00012859426237
                   +0 :               0.00002733412459
                   +1 :              -0.00000538327538
                3p
                   -1 :              -0.00005897510448
                   +0 :               0.00000296079282
                   +1 :               0.00001163983678
                3d
                   -2 :              -0.00000263793312
                   -1 :              -0.00000226416280
                   +0 :               0.00000214982230
                   +1 :              -0.00000166034229
                   +2 :              -0.00000045850689
             17 vec=    12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000919168125
                2s
                   +0 :               0.00006603831375
                3s
                   +0 :              -0.00004278132611
                2p
                   -1 :               0.00001497834864
                   +0 :              -0.00010647081192
                   +1 :              -0.00000845008923
                3p
                   -1 :              -0.00001486144258
                   +0 :               0.00007783792009
                   +1 :              -0.00000649791895
                3d
                   -2 :               0.00000288294868
                   -1 :              -0.00000088470263
                   +0 :              -0.00000603228257
                   +1 :               0.00000231842364
                   +2 :               0.00000872468511
             18 vec=    12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001379213671
                2s
                   +0 :               0.00010518208097
                3s
                   +0 :              -0.00005172053740
                2p
                   -1 :              -0.00005916943603
                   +0 :               0.00008997216498
                   +1 :               0.00004166138404
                3p
                   -1 :               0.00001753710412
                   +0 :              -0.00006113026224
                   +1 :              -0.00003264628412
                3d
                   -2 :               0.00000592813864
                   -1 :              -0.00000027515736
                   +0 :              -0.00000416397212
                   +1 :              -0.00000918210211
                   +2 :              -0.00000684446303
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 24)  npairs=  14
              1 vec=     2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003714976701
                2s
                   +0 :              -0.00039275468397
                3s
                   +0 :               0.00013445210656
                2p
                   -1 :               0.00005080229073
                   +0 :               0.00044213770367
                   +1 :               0.00022324367244
                3p
                   -1 :              -0.00000207732757
                   +0 :              -0.00032817357997
                   +1 :              -0.00018530664802
                3d
                   -2 :               0.00001960375100
                   -1 :              -0.00000513738606
                   +0 :               0.00003166126040
                   +1 :               0.00002716394883
                   +2 :               0.00000558959435
              2 vec=     2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006801634718
                2s
                   +0 :               0.00053484263228
                3s
                   +0 :              -0.00030464036588
                2p
                   -1 :              -0.00009491961120
                   +0 :               0.00032104153493
                   +1 :               0.00009248219004
                3p
                   -1 :               0.00007039754596
                   +0 :              -0.00026847920006
                   +1 :               0.00002904541354
                3d
                   -2 :              -0.00000345434972
                   -1 :              -0.00000322444308
                   +0 :              -0.00001546193602
                   +1 :              -0.00001486550344
                   +2 :              -0.00000763580483
              3 vec=    -5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000932486752
                2s
                   +0 :               0.00023370887335
                3s
                   +0 :               0.00017364194231
                2p
                   -1 :              -0.00023448177805
                   +0 :              -0.00016499209721
                   +1 :              -0.00017260344688
                3p
                   -1 :               0.00005061572007
                   +0 :              -0.00014155541989
                   +1 :              -0.00010200460007
                3d
                   -2 :              -0.00003271034689
                   -1 :              -0.00000687176823
                   +0 :               0.00001954769767
                   +1 :               0.00004968904891
                   +2 :              -0.00000116259197
              4 vec=    -5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00001437598310
                2s
                   +0 :               0.00006898750850
                3s
                   +0 :               0.00005072713545
                2p
                   -1 :              -0.00046474816843
                   +0 :               0.00031301832942
                   +1 :              -0.00044875917359
                3p
                   -1 :               0.00008359208863
                   +0 :              -0.00007134091514
                   +1 :               0.00013609507299
                3d
                   -2 :               0.00000987180527
                   -1 :              -0.00001294175592
                   +0 :               0.00000401137292
                   +1 :              -0.00001693986685
                   +2 :               0.00002994980492
              5 vec=    -5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000260511292
                2s
                   +0 :              -0.00010457347699
                3s
                   +0 :              -0.00006833598776
                2p
                   -1 :               0.00024152066108
                   +0 :               0.00010972775652
                   +1 :               0.00013539381403
                3p
                   -1 :              -0.00014473122059
                   +0 :              -0.00011704657430
                   +1 :              -0.00007645003223
                3d
                   -2 :               0.00003495424711
                   -1 :               0.00002291675661
                   +0 :               0.00002552004881
                   +1 :               0.00000167281720
                   +2 :              -0.00000567584467
              6 vec=    -5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00002093974201
                2s
                   +0 :              -0.00009886526555
                3s
                   +0 :               0.00005304013816
                2p
                   -1 :               0.00012030174459
                   +0 :              -0.00015187919253
                   +1 :              -0.00019337837190
                3p
                   -1 :              -0.00012795886097
                   +0 :               0.00015238897383
                   +1 :               0.00018282468314
                3d
                   -2 :               0.00000633076228
                   -1 :              -0.00001964330051
                   +0 :               0.00003478000947
                   +1 :               0.00000475891221
                   +2 :              -0.00000852568447
              7 vec=     2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00005678579156
                2s
                   +0 :               0.00047884215208
                3s
                   +0 :              -0.00017112380161
                2p
                   -1 :               0.00004447516516
                   +0 :              -0.00011600109606
                   +1 :              -0.00013614184213
                3p
                   -1 :               0.00001894729736
                   +0 :               0.00003375679229
                   +1 :               0.00005275826627
                3d
                   -2 :              -0.00000186889797
                   -1 :              -0.00000284233814
                   +0 :              -0.00001347854176
                   +1 :               0.00001234713596
                   +2 :              -0.00000916526050
              8 vec=     2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00006545327230
                2s
                   +0 :               0.00057711790479
                3s
                   +0 :              -0.00012282964605
                2p
                   -1 :               0.00018602997590
                   +0 :               0.00040079126764
                   +1 :               0.00021756418384
                3p
                   -1 :              -0.00005038910285
                   +0 :              -0.00007221470591
                   +1 :              -0.00014659327127
                3d
                   -2 :              -0.00000483932940
                   -1 :               0.00002246850978
                   +0 :               0.00001008503346
                   +1 :              -0.00001448226690
                   +2 :               0.00000460270685
              9 vec=     2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00004880028401
                2s
                   +0 :              -0.00033279425785
                3s
                   +0 :               0.00013440025400
                2p
                   -1 :               0.00035894126817
                   +0 :               0.00030907021508
                   +1 :               0.00007041164207
                3p
                   -1 :              -0.00028003906393
                   +0 :              -0.00015931360669
                   +1 :              -0.00009548276413
                3d
                   -2 :              -0.00000360466794
                   -1 :               0.00002645564960
                   +0 :               0.00000615936641
                   +1 :              -0.00000161847876
                   +2 :              -0.00001523888537
             10 vec=     2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001115958211
                2s
                   +0 :               0.00006004181466
                3s
                   +0 :              -0.00002704763501
                2p
                   -1 :               0.00008175087327
                   +0 :               0.00018178912335
                   +1 :               0.00023046057840
                3p
                   -1 :              -0.00004670039093
                   +0 :              -0.00020745157129
                   +1 :              -0.00023745166546
                3d
                   -2 :               0.00001157968867
                   -1 :              -0.00000745464073
                   +0 :              -0.00001634328136
                   +1 :              -0.00002246181621
                   +2 :              -0.00000011313720
             11 vec=    10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001831856858
                2s
                   +0 :              -0.00012973321679
                3s
                   +0 :               0.00004857135459
                2p
                   -1 :              -0.00012610951318
                   +0 :              -0.00001422474275
                   +1 :              -0.00011765306538
                3p
                   -1 :               0.00007230861609
                   +0 :               0.00000914288588
                   +1 :               0.00010317205777
                3d
                   -2 :              -0.00000741222385
                   -1 :               0.00000085706459
                   +0 :              -0.00000218936399
                   +1 :              -0.00000476397744
                   +2 :               0.00000553211060
             12 vec=    10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002296532630
                2s
                   +0 :              -0.00016947633950
                3s
                   +0 :               0.00008982855946
                2p
                   -1 :              -0.00017891814801
                   +0 :              -0.00008697205827
                   +1 :               0.00001516322533
                3p
                   -1 :               0.00016076691633
                   +0 :               0.00008855974942
                   +1 :              -0.00001739644672
                3d
                   -2 :               0.00000534895320
                   -1 :               0.00000294870844
                   +0 :               0.00000968903441
                   +1 :               0.00000699236127
                   +2 :              -0.00000680096249
             13 vec=    10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000408134182
                2s
                   +0 :              -0.00006110692398
                3s
                   +0 :               0.00000872867694
                2p
                   -1 :               0.00003145231440
                   +0 :               0.00000562130096
                   +1 :              -0.00016606625151
                3p
                   -1 :               0.00000231693288
                   +0 :               0.00002838475612
                   +1 :               0.00009054185426
                3d
                   -2 :              -0.00000379855592
                   -1 :              -0.00000281585190
                   +0 :              -0.00000258511461
                   +1 :              -0.00000541152733
                   +2 :               0.00000128034476
             14 vec=    10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002072483342
                2s
                   +0 :              -0.00015949517441
                3s
                   +0 :               0.00007341891210
                2p
                   -1 :               0.00010321698228
                   +0 :              -0.00018403499798
                   +1 :              -0.00013604548131
                3p
                   -1 :              -0.00004866335614
                   +0 :               0.00008031574424
                   +1 :               0.00005552806396
                3d
                   -2 :               0.00000314258093
                   -1 :              -0.00000764222987
                   +0 :               0.00000495724532
                   +1 :              -0.00000007337454
                   +2 :              -0.00000257264972
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 25)  npairs=  15
              1 vec=     2.174296     -4.491580      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00011261978463
                2s
                   +0 :               0.00010104067343
                3s
                   +0 :              -0.00051057130713
                2p
                   -1 :               0.00095813961195
                   +0 :              -0.00079141392884
                   +1 :               0.00216332350407
                3p
                   -1 :              -0.00018040828584
                   +0 :              -0.00009228079064
                   +1 :              -0.00098760636725
                3d
                   -2 :               0.00007415457661
                   -1 :               0.00006064487554
                   +0 :               0.00010395215362
                   +1 :               0.00004037218413
                   +2 :              -0.00013443917318
              2 vec=     2.174296      4.492178      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00019141982219
                2s
                   +0 :               0.00185371827962
                3s
                   +0 :              -0.00004420896541
                2p
                   -1 :               0.00034330378420
                   +0 :               0.00224496605838
                   +1 :               0.00126421097210
                3p
                   -1 :               0.00027685425010
                   +0 :               0.00006540301741
                   +1 :               0.00046510702399
                3d
                   -2 :               0.00012059040500
                   -1 :               0.00007475127228
                   +0 :               0.00001927700330
                   +1 :               0.00013527670149
                   +2 :               0.00000308393775
              3 vec=    -5.605867      0.000299      8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00022407297281
                2s
                   +0 :              -0.00230374162935
                3s
                   +0 :               0.00042294091557
                2p
                   -1 :               0.00026568640946
                   +0 :              -0.00201037444376
                   +1 :               0.00181935982385
                3p
                   -1 :              -0.00074784532495
                   +0 :               0.00061627530504
                   +1 :              -0.00085035835364
                3d
                   -2 :               0.00000752852828
                   -1 :              -0.00007143495927
                   +0 :              -0.00014635129466
                   +1 :              -0.00000644572863
                   +2 :              -0.00000187834131
              4 vec=     9.954459      0.000299      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00000675696434
                2s
                   +0 :               0.00005634315500
                3s
                   +0 :              -0.00004454221720
                2p
                   -1 :               0.00062733323723
                   +0 :               0.00015526728570
                   +1 :              -0.00033858476544
                3p
                   -1 :              -0.00046850969995
                   +0 :               0.00004750704900
                   +1 :               0.00022763397393
                3d
                   -2 :              -0.00001646109091
                   -1 :              -0.00003560887792
                   +0 :               0.00003532731281
                   +1 :               0.00000884848678
                   +2 :              -0.00003365732214
              5 vec=    -5.605867     -8.983459      8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00004828201484
                2s
                   +0 :              -0.00068584647312
                3s
                   +0 :               0.00018394120115
                2p
                   -1 :               0.00019851558827
                   +0 :              -0.00045345118496
                   +1 :               0.00002601889611
                3p
                   -1 :              -0.00001100993536
                   +0 :               0.00014243231365
                   +1 :               0.00001568787490
                3d
                   -2 :               0.00003474341312
                   -1 :              -0.00002225113617
                   +0 :               0.00000242553090
                   +1 :              -0.00001183822025
                   +2 :               0.00003107361197
              6 vec=    -5.605867      8.984057      8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00001301280994
                2s
                   +0 :               0.00024653647402
                3s
                   +0 :               0.00005329491959
                2p
                   -1 :               0.00006201533195
                   +0 :              -0.00032488493305
                   +1 :               0.00012074895859
                3p
                   -1 :               0.00010339970100
                   +0 :               0.00028128415709
                   +1 :              -0.00033205727905
                3d
                   -2 :              -0.00002534275466
                   -1 :              -0.00001482479021
                   +0 :               0.00000648707963
                   +1 :              -0.00000918832432
                   +2 :               0.00002743552694
              7 vec=     9.954459     -8.983459      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00001190516690
                2s
                   +0 :               0.00004109040251
                3s
                   +0 :              -0.00006932197991
                2p
                   -1 :               0.00007451797507
                   +0 :              -0.00013911250930
                   +1 :              -0.00001709278858
                3p
                   -1 :              -0.00008736735597
                   +0 :               0.00004853990333
                   +1 :              -0.00002706756517
                3d
                   -2 :              -0.00000129987521
                   -1 :              -0.00001550700439
                   +0 :               0.00000347569337
                   +1 :              -0.00000878619535
                   +2 :              -0.00000380741252
              8 vec=     9.954459      8.984057      8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00001699528641
                2s
                   +0 :               0.00013816016183
                3s
                   +0 :              -0.00003328948633
                2p
                   -1 :              -0.00010783791622
                   +0 :               0.00011540237633
                   +1 :               0.00015069111405
                3p
                   -1 :               0.00009489422974
                   +0 :              -0.00000527731726
                   +1 :              -0.00004336565327
                3d
                   -2 :              -0.00000044776936
                   -1 :               0.00001722512946
                   +0 :              -0.00000897115964
                   +1 :              -0.00000922800087
                   +2 :              -0.00000787305371
              9 vec=     2.174296    -13.475338      8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00006919118533
                2s
                   +0 :               0.00042861505520
                3s
                   +0 :              -0.00024546870592
                2p
                   -1 :              -0.00020492696734
                   +0 :               0.00001388228162
                   +1 :               0.00007102683947
                3p
                   -1 :               0.00019870936110
                   +0 :              -0.00002294427454
                   +1 :              -0.00007978552353
                3d
                   -2 :               0.00001712523918
                   -1 :              -0.00000025470622
                   +0 :              -0.00000147189510
                   +1 :               0.00001005365369
                   +2 :               0.00000101222222
             10 vec=     2.174296     13.475936      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00000508348677
                2s
                   +0 :               0.00000332027459
                3s
                   +0 :               0.00004687768064
                2p
                   -1 :               0.00010694881738
                   +0 :               0.00001252280721
                   +1 :              -0.00018147124953
                3p
                   -1 :              -0.00006102531143
                   +0 :               0.00004418977909
                   +1 :               0.00013076162172
                3d
                   -2 :               0.00000046722373
                   -1 :               0.00000401766402
                   +0 :               0.00000856423442
                   +1 :               0.00001629458316
                   +2 :               0.00001846661530
             11 vec=   -13.386029     -4.491580      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000978011225
                2s
                   +0 :               0.00003601512296
                3s
                   +0 :              -0.00004095883476
                2p
                   -1 :              -0.00001311761036
                   +0 :              -0.00005508993905
                   +1 :              -0.00005464625875
                3p
                   -1 :               0.00000989600625
                   +0 :               0.00004386913489
                   +1 :               0.00008985334145
                3d
                   -2 :              -0.00000163972488
                   -1 :              -0.00000282827352
                   +0 :               0.00001453130292
                   +1 :               0.00000077729361
                   +2 :              -0.00000675005104
             12 vec=   -13.386029      4.492178      8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00004519071637
                2s
                   +0 :              -0.00024075100029
                3s
                   +0 :               0.00013894732436
                2p
                   -1 :               0.00012331410389
                   +0 :              -0.00006028726829
                   +1 :               0.00007042926938
                3p
                   -1 :              -0.00011944894529
                   +0 :               0.00005877171174
                   +1 :              -0.00008647069003
                3d
                   -2 :              -0.00000010750054
                   -1 :              -0.00000282503248
                   +0 :               0.00000073834307
                   +1 :              -0.00000882736660
                   +2 :               0.00000318659922
             13 vec=     2.174296     -4.491580    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00001884196315
                2s
                   +0 :              -0.00013854376921
                3s
                   +0 :               0.00005243335610
                2p
                   -1 :              -0.00007203273295
                   +0 :               0.00007546947059
                   +1 :              -0.00001906572336
                3p
                   -1 :               0.00005501682588
                   +0 :              -0.00002465403862
                   +1 :               0.00000906150066
                3d
                   -2 :              -0.00000002098293
                   -1 :              -0.00000544611676
                   +0 :               0.00000003348088
                   +1 :              -0.00000007904531
                   +2 :               0.00000005316424
             14 vec=     2.174296      4.492178    -16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000424410306
                2s
                   +0 :               0.00003327514735
                3s
                   +0 :              -0.00001230507241
                2p
                   -1 :              -0.00002186906774
                   +0 :               0.00001744869083
                   +1 :              -0.00001177644700
                3p
                   -1 :               0.00001262284887
                   +0 :              -0.00000235340491
                   +1 :               0.00002905249666
                3d
                   -2 :               0.00000317983014
                   -1 :               0.00000071341593
                   +0 :              -0.00000339164935
                   +1 :              -0.00000332824749
                   +2 :              -0.00000257617729
             15 vec=    -5.605867      0.000299    -16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000609437075
                2s
                   +0 :               0.00004231846215
                3s
                   +0 :              -0.00001077991208
                2p
                   -1 :              -0.00015372071825
                   +0 :               0.00003281028844
                   +1 :              -0.00004887659742
                3p
                   -1 :               0.00004646894856
                   +0 :              -0.00008233735064
                   +1 :               0.00002975411881
                3d
                   -2 :               0.00000530917226
                   -1 :               0.00000542390961
                   +0 :               0.00000682637443
                   +1 :              -0.00000017016406
                   +2 :               0.00000159708072
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 26)  npairs=  15
              1 vec=    -2.592869     -4.491580      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00004950632474
                2s
                   +0 :               0.00023464468165
                3s
                   +0 :              -0.00037411067927
                2p
                   -1 :              -0.00213519188381
                   +0 :              -0.00067789840706
                   +1 :              -0.00225745563565
                3p
                   -1 :               0.00192497019066
                   +0 :               0.00048395009402
                   +1 :               0.00145099171214
                3d
                   -2 :              -0.00013531917129
                   -1 :               0.00016855082713
                   +0 :               0.00009483846908
                   +1 :               0.00001028393012
                   +2 :               0.00002166180581
              2 vec=    -2.592869      4.492178      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00013006339496
                2s
                   +0 :               0.00173029070746
                3s
                   +0 :               0.00019160152089
                2p
                   -1 :               0.00111741992192
                   +0 :               0.00351729759268
                   +1 :              -0.00173497268395
                3p
                   -1 :              -0.00004106584449
                   +0 :              -0.00037743380575
                   +1 :              -0.00019025814528
                3d
                   -2 :              -0.00006165648238
                   -1 :               0.00013437553027
                   +0 :               0.00005218969198
                   +1 :              -0.00016839315755
                   +2 :               0.00001633581157
              3 vec=     5.187294      0.000299      8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00028032872467
                2s
                   +0 :              -0.00240383951699
                3s
                   +0 :               0.00052461573786
                2p
                   -1 :              -0.00365853621366
                   +0 :              -0.00219472426635
                   +1 :              -0.00156644049798
                3p
                   -1 :               0.00217720364292
                   +0 :               0.00082865746009
                   +1 :               0.00047258383702
                3d
                   -2 :              -0.00002569683824
                   -1 :               0.00009553652917
                   +0 :              -0.00007013968040
                   +1 :               0.00001767732501
                   +2 :               0.00003877169658
              4 vec=   -10.373032      0.000299      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00000818680102
                2s
                   +0 :              -0.00001104449019
                3s
                   +0 :              -0.00004587715101
                2p
                   -1 :               0.00029790335520
                   +0 :              -0.00000685806346
                   +1 :               0.00021752639131
                3p
                   -1 :              -0.00026773482982
                   +0 :               0.00012555496886
                   +1 :              -0.00008002942880
                3d
                   -2 :               0.00001736767276
                   -1 :              -0.00001543916334
                   +0 :              -0.00001630151591
                   +1 :              -0.00000774757743
                   +2 :              -0.00002208225121
              5 vec=     5.187294     -8.983459      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000813889570
                2s
                   +0 :              -0.00014232604503
                3s
                   +0 :               0.00003427529567
                2p
                   -1 :               0.00002522252829
                   +0 :               0.00019202821440
                   +1 :              -0.00036234931046
                3p
                   -1 :              -0.00005032362700
                   +0 :              -0.00020987232605
                   +1 :               0.00032075921390
                3d
                   -2 :              -0.00002231870146
                   -1 :               0.00000648381863
                   +0 :              -0.00002394063824
                   +1 :               0.00000508544982
                   +2 :              -0.00002083039122
              6 vec=     5.187294      8.984057      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00002935499773
                2s
                   +0 :               0.00059237060740
                3s
                   +0 :              -0.00001525797441
                2p
                   -1 :               0.00027712844885
                   +0 :              -0.00000072815868
                   +1 :               0.00046250684913
                3p
                   -1 :              -0.00008053337908
                   +0 :               0.00013173448926
                   +1 :              -0.00014940150939
                3d
                   -2 :               0.00001228110028
                   -1 :               0.00001500603565
                   +0 :               0.00004365424159
                   +1 :               0.00001737189134
                   +2 :               0.00000688697905
              7 vec=   -10.373032     -8.983459      8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00000370529722
                2s
                   +0 :              -0.00003950824979
                3s
                   +0 :              -0.00002175275575
                2p
                   -1 :               0.00000255272403
                   +0 :               0.00000099889789
                   +1 :               0.00008794967576
                3p
                   -1 :               0.00001971471559
                   +0 :              -0.00006909612642
                   +1 :              -0.00005060366235
                3d
                   -2 :               0.00000313691686
                   -1 :               0.00001220991954
                   +0 :              -0.00000472811299
                   +1 :               0.00000157129962
                   +2 :               0.00001315397554
              8 vec=    -2.592869    -13.475338      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00000299425138
                2s
                   +0 :              -0.00002970301064
                3s
                   +0 :              -0.00002812937729
                2p
                   -1 :              -0.00008735409553
                   +0 :              -0.00014842381197
                   +1 :              -0.00019099440010
                3p
                   -1 :               0.00014318969501
                   +0 :               0.00007955559629
                   +1 :               0.00017034177191
                3d
                   -2 :              -0.00001641840299
                   -1 :              -0.00000213606174
                   +0 :               0.00000707759146
                   +1 :              -0.00000916603310
                   +2 :              -0.00000640392269
              9 vec=   -10.373032      8.984057      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00003605081052
                2s
                   +0 :               0.00021306620200
                3s
                   +0 :              -0.00011158628079
                2p
                   -1 :              -0.00001221146275
                   +0 :               0.00008730232453
                   +1 :              -0.00014541886219
                3p
                   -1 :              -0.00000300462088
                   +0 :              -0.00006339167015
                   +1 :               0.00008794630242
                3d
                   -2 :               0.00001043649798
                   -1 :              -0.00000289451519
                   +0 :              -0.00000619943791
                   +1 :              -0.00000185172480
                   +2 :               0.00000670223235
             10 vec=    -2.592869     13.475936      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00002573808465
                2s
                   +0 :               0.00016165282068
                3s
                   +0 :              -0.00001620815304
                2p
                   -1 :               0.00033251718406
                   +0 :               0.00004745437478
                   +1 :               0.00018143102015
                3p
                   -1 :              -0.00021409463002
                   +0 :               0.00001223676241
                   +1 :              -0.00013984743422
                3d
                   -2 :               0.00000219045693
                   -1 :               0.00000029252511
                   +0 :               0.00001007204079
                   +1 :              -0.00000461871982
                   +2 :               0.00000831770667
             11 vec=    12.967456     -4.491580      8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00001852334027
                2s
                   +0 :              -0.00011929737007
                3s
                   +0 :               0.00004555265161
                2p
                   -1 :              -0.00015087134374
                   +0 :              -0.00005707736211
                   +1 :              -0.00023616702681
                3p
                   -1 :               0.00012809684113
                   +0 :               0.00005563359629
                   +1 :               0.00018451328464
                3d
                   -2 :               0.00000846132477
                   -1 :               0.00000000997168
                   +0 :               0.00000044661889
                   +1 :              -0.00000356830896
                   +2 :               0.00000474530862
             12 vec=    12.967456      4.492178      8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00003243463263
                2s
                   +0 :              -0.00018110875778
                3s
                   +0 :               0.00010871433848
                2p
                   -1 :              -0.00000754584483
                   +0 :               0.00004256530077
                   +1 :               0.00003967255362
                3p
                   -1 :               0.00001694807340
                   +0 :              -0.00004346533737
                   +1 :              -0.00002832778934
                3d
                   -2 :              -0.00000141730319
                   -1 :               0.00000179824534
                   +0 :              -0.00000904164629
                   +1 :               0.00000346212548
                   +2 :               0.00000479136676
             13 vec=    -2.592869     -4.491580    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000707904398
                2s
                   +0 :              -0.00012562136642
                3s
                   +0 :              -0.00000238038675
                2p
                   -1 :              -0.00002925679083
                   +0 :               0.00006478496836
                   +1 :               0.00005821879666
                3p
                   -1 :               0.00003229544465
                   +0 :               0.00004227343372
                   +1 :              -0.00005245891989
                3d
                   -2 :               0.00000105243987
                   -1 :              -0.00000318096194
                   +0 :              -0.00000318813071
                   +1 :               0.00000110544622
                   +2 :               0.00000162045650
             14 vec=    -2.592869      4.492178    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000242488770
                2s
                   +0 :               0.00003729035840
                3s
                   +0 :              -0.00000365990173
                2p
                   -1 :               0.00000421751835
                   +0 :               0.00000544355117
                   +1 :               0.00002824778280
                3p
                   -1 :              -0.00003168819262
                   +0 :              -0.00000798429826
                   +1 :               0.00000201147790
                3d
                   -2 :               0.00000017670651
                   -1 :               0.00000194465211
                   +0 :               0.00000038839299
                   +1 :              -0.00000286026200
                   +2 :              -0.00000120173078
             15 vec=     5.187294      0.000299    -16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00002176140705
                2s
                   +0 :               0.00018504352051
                3s
                   +0 :              -0.00005485657684
                2p
                   -1 :              -0.00012340097538
                   +0 :              -0.00012085828875
                   +1 :              -0.00001709653349
                3p
                   -1 :               0.00006494833698
                   +0 :               0.00004683117785
                   +1 :               0.00002050275119
                3d
                   -2 :              -0.00000440804728
                   -1 :               0.00000163368085
                   +0 :               0.00000911233523
                   +1 :              -0.00000369550267
                   +2 :              -0.00000331474194
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 27)  npairs=  14
              1 vec=    -0.209286     -0.363094      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00018507492936
                2s
                   +0 :               0.00114339906839
                3s
                   +0 :              -0.00056249726506
                2p
                   -1 :              -0.00002206181288
                   +0 :              -0.00054962327795
                   +1 :              -0.00060506514408
                3p
                   -1 :              -0.00126923298856
                   +0 :               0.00067354738735
                   +1 :               0.00058672301477
                3d
                   -2 :               0.00002209341499
                   -1 :              -0.00010477438396
                   +0 :               0.00025689263651
                   +1 :               0.00008751373185
                   +2 :               0.00003951673214
              2 vec=    -0.209286      8.620664      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00003866674678
                2s
                   +0 :               0.00039304412819
                3s
                   +0 :               0.00028125630203
                2p
                   -1 :              -0.00022982245345
                   +0 :               0.00048685036427
                   +1 :              -0.00058459474017
                3p
                   -1 :               0.00040108170725
                   +0 :               0.00023851994787
                   +1 :               0.00034837140682
                3d
                   -2 :               0.00000913197881
                   -1 :               0.00002436130683
                   +0 :               0.00000080890420
                   +1 :              -0.00002666499875
                   +2 :               0.00001476053318
              3 vec=     7.570876      4.128785      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00005077793595
                2s
                   +0 :              -0.00043532288989
                3s
                   +0 :               0.00017470880461
                2p
                   -1 :              -0.00017268370553
                   +0 :              -0.00043607064631
                   +1 :               0.00054201292360
                3p
                   -1 :              -0.00013092043769
                   +0 :               0.00031596081085
                   +1 :              -0.00051960446891
                3d
                   -2 :              -0.00005596789217
                   -1 :              -0.00000148225108
                   +0 :               0.00001775738518
                   +1 :              -0.00003798632223
                   +2 :               0.00000695325398
              4 vec=    -7.989449      4.128785      8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00009214086204
                2s
                   +0 :              -0.00042206320725
                3s
                   +0 :               0.00024916688055
                2p
                   -1 :              -0.00123618451678
                   +0 :              -0.00013283058901
                   +1 :              -0.00052451213927
                3p
                   -1 :               0.00084888458291
                   +0 :               0.00013365256028
                   +1 :               0.00032958440806
                3d
                   -2 :               0.00001289969558
                   -1 :               0.00006980176376
                   +0 :               0.00002273029049
                   +1 :               0.00002100104977
                   +2 :              -0.00002647987469
              5 vec=     7.570876     -4.854973      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00006678206542
                2s
                   +0 :              -0.00075193232969
                3s
                   +0 :               0.00026473384008
                2p
                   -1 :               0.00062129170921
                   +0 :              -0.00035371673639
                   +1 :              -0.00001419323423
                3p
                   -1 :              -0.00060804393630
                   +0 :               0.00005671941053
                   +1 :              -0.00033771003704
                3d
                   -2 :              -0.00008611832662
                   -1 :              -0.00003115786387
                   +0 :              -0.00002607537116
                   +1 :               0.00001050995932
                   +2 :              -0.00004774965581
              6 vec=    -7.989449     -4.854973      8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00006201991716
                2s
                   +0 :              -0.00060963132505
                3s
                   +0 :               0.00011541441700
                2p
                   -1 :               0.00002624918918
                   +0 :              -0.00000641950341
                   +1 :               0.00081009484550
                3p
                   -1 :              -0.00006148515924
                   +0 :              -0.00031836956359
                   +1 :              -0.00042581161623
                3d
                   -2 :               0.00001060572089
                   -1 :              -0.00002378349285
                   +0 :              -0.00002027491897
                   +1 :               0.00005244059937
                   +2 :               0.00002256305024
              7 vec=    -0.209286     -9.346852      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00003185289157
                2s
                   +0 :              -0.00001318158401
                3s
                   +0 :              -0.00009995834319
                2p
                   -1 :               0.00115528751977
                   +0 :              -0.00085268871716
                   +1 :              -0.00025366958034
                3p
                   -1 :              -0.00083003349561
                   +0 :               0.00065209385579
                   +1 :               0.00025372488540
                3d
                   -2 :              -0.00002681380940
                   -1 :              -0.00005277514561
                   +0 :               0.00001182273185
                   +1 :               0.00002203909705
                   +2 :              -0.00002250279908
              8 vec=    -0.209286     -0.363094    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001086752139
                2s
                   +0 :               0.00007822034255
                3s
                   +0 :              -0.00004017172516
                2p
                   -1 :               0.00007264369429
                   +0 :              -0.00003762954573
                   +1 :               0.00000942861825
                3p
                   -1 :              -0.00008037782880
                   +0 :               0.00003407800490
                   +1 :              -0.00000500230418
                3d
                   -2 :               0.00000005168294
                   -1 :               0.00000785623982
                   +0 :              -0.00000212207663
                   +1 :               0.00000045493573
                   +2 :               0.00000149606196
              9 vec=     7.570876     13.112543      8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00001853575014
                2s
                   +0 :               0.00017428389783
                3s
                   +0 :              -0.00002997551904
                2p
                   -1 :               0.00004333791250
                   +0 :               0.00010606462926
                   +1 :               0.00012972401394
                3p
                   -1 :               0.00003191478475
                   +0 :              -0.00004875380605
                   +1 :              -0.00002280764350
                3d
                   -2 :               0.00000930178684
                   -1 :               0.00000118436285
                   +0 :              -0.00000368938728
                   +1 :               0.00000214729419
                   +2 :              -0.00000385141854
             10 vec=    -7.989449     13.112543      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00002986743277
                2s
                   +0 :               0.00022359502948
                3s
                   +0 :              -0.00008199424877
                2p
                   -1 :               0.00023999709290
                   +0 :               0.00006245842492
                   +1 :              -0.00007466314936
                3p
                   -1 :              -0.00015968923221
                   +0 :              -0.00001549881955
                   +1 :               0.00000106425530
                3d
                   -2 :              -0.00000324599066
                   -1 :              -0.00000202653558
                   +0 :              -0.00000217936381
                   +1 :              -0.00000800624384
                   +2 :               0.00000661515567
             11 vec=    15.351039     -0.363094      8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00000252125162
                2s
                   +0 :              -0.00002865919328
                3s
                   +0 :               0.00000461149604
                2p
                   -1 :               0.00006261485428
                   +0 :              -0.00003661540484
                   +1 :              -0.00005961819561
                3p
                   -1 :              -0.00007522921503
                   +0 :               0.00001242947541
                   +1 :               0.00004105779395
                3d
                   -2 :              -0.00000244890093
                   -1 :              -0.00000035253072
                   +0 :              -0.00000112655687
                   +1 :               0.00000007016910
                   +2 :              -0.00000278107807
             12 vec=   -15.769612     -0.363094      8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00000024546544
                2s
                   +0 :              -0.00003001628157
                3s
                   +0 :              -0.00000631029701
                2p
                   -1 :               0.00002715252524
                   +0 :              -0.00008621256148
                   +1 :              -0.00000125985022
                3p
                   -1 :              -0.00004122280267
                   +0 :               0.00005630975049
                   +1 :               0.00003227771963
                3d
                   -2 :              -0.00000120881374
                   -1 :              -0.00000313130184
                   +0 :              -0.00000154595046
                   +1 :               0.00000002726324
                   +2 :              -0.00000077371885
             13 vec=     7.570876    -13.838731      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00000089278892
                2s
                   +0 :              -0.00001091796069
                3s
                   +0 :              -0.00003171832020
                2p
                   -1 :               0.00005360146989
                   +0 :              -0.00004270180750
                   +1 :               0.00001363808199
                3p
                   -1 :              -0.00000188397769
                   +0 :              -0.00001227146292
                   +1 :              -0.00000697616187
                3d
                   -2 :               0.00000139258967
                   -1 :               0.00000489179928
                   +0 :               0.00000034649954
                   +1 :               0.00000023339007
                   +2 :               0.00000467687038
             14 vec=    -7.989449    -13.838731      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00001255692951
                2s
                   +0 :              -0.00010500234671
                3s
                   +0 :               0.00003367089900
                2p
                   -1 :               0.00006854403130
                   +0 :              -0.00000714629490
                   +1 :               0.00000728817909
                3p
                   -1 :              -0.00001609509165
                   +0 :              -0.00000936448568
                   +1 :               0.00000103294769
                3d
                   -2 :               0.00000184779096
                   -1 :              -0.00000238711424
                   +0 :              -0.00000334317434
                   +1 :              -0.00000319291418
                   +2 :               0.00000318180454
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 28)  npairs=  14
              1 vec=    -2.593388     -1.738956     -4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00055651740662
                2s
                   +0 :              -0.01588011517410
                3s
                   +0 :              -0.00294729395038
                2p
                   -1 :              -0.00448513488858
                   +0 :               0.01277887221299
                   +1 :               0.00332726113685
                3p
                   -1 :               0.00110846509083
                   +0 :               0.00196921869792
                   +1 :               0.00526222292222
                3d
                   -2 :              -0.00005602717673
                   -1 :               0.00023448866660
                   +0 :              -0.00131071609853
                   +1 :              -0.00194604430027
                   +2 :              -0.00074502158506
              2 vec=     5.186775      2.752923     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00131811512778
                2s
                   +0 :               0.00884712966212
                3s
                   +0 :              -0.00434372257804
                2p
                   -1 :               0.00822503553175
                   +0 :              -0.00100146617807
                   +1 :               0.00353642641867
                3p
                   -1 :              -0.00737485760219
                   +0 :               0.00034730765697
                   +1 :              -0.00165961176746
                3d
                   -2 :              -0.00040619158311
                   -1 :               0.00002237741945
                   +0 :               0.00015357543354
                   +1 :               0.00012600959953
                   +2 :              -0.00006135551256
              3 vec=    -2.593388      7.244802     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00000089007473
                2s
                   +0 :              -0.00065811524103
                3s
                   +0 :               0.00036402018032
                2p
                   -1 :               0.00251359088933
                   +0 :               0.00125124870341
                   +1 :              -0.00169642366163
                3p
                   -1 :              -0.00122731308697
                   +0 :              -0.00067309387561
                   +1 :               0.00097713922017
                3d
                   -2 :               0.00007643134884
                   -1 :               0.00004680044795
                   +0 :              -0.00004415018595
                   +1 :               0.00010415582087
                   +2 :               0.00005929717324
              4 vec=     5.186775     -6.230835     -4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00019942319514
                2s
                   +0 :              -0.00087525032332
                3s
                   +0 :               0.00033756629251
                2p
                   -1 :              -0.00273516423500
                   +0 :               0.00359585769150
                   +1 :              -0.00026107329510
                3p
                   -1 :               0.00207819850816
                   +0 :              -0.00193245053608
                   +1 :              -0.00038893911196
                3d
                   -2 :               0.00000406093705
                   -1 :              -0.00005951377307
                   +0 :              -0.00000789682507
                   +1 :              -0.00007804877368
                   +2 :               0.00003571978453
              5 vec=   -10.373550      2.752923     -4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00006652449541
                2s
                   +0 :              -0.00029272263892
                3s
                   +0 :               0.00020347565405
                2p
                   -1 :              -0.00026266510888
                   +0 :               0.00006097139926
                   +1 :              -0.00014902068950
                3p
                   -1 :               0.00004354193364
                   +0 :              -0.00008970239994
                   +1 :               0.00003019427204
                3d
                   -2 :               0.00001787595732
                   -1 :               0.00002649434799
                   +0 :               0.00006049872218
                   +1 :               0.00005946300874
                   +2 :               0.00000865742775
              6 vec=    -2.593388    -10.722714     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00002403521643
                2s
                   +0 :              -0.00036703817818
                3s
                   +0 :               0.00002997897835
                2p
                   -1 :              -0.00028030269470
                   +0 :               0.00095756705435
                   +1 :              -0.00085247579197
                3p
                   -1 :               0.00032344057795
                   +0 :              -0.00066361774115
                   +1 :               0.00079997740168
                3d
                   -2 :              -0.00008657017539
                   -1 :               0.00005717815014
                   +0 :              -0.00008055612781
                   +1 :               0.00003617437049
                   +2 :               0.00006200396585
              7 vec=   -10.373550     -6.230835     -4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00002548959631
                2s
                   +0 :              -0.00038997797010
                3s
                   +0 :               0.00011246528416
                2p
                   -1 :               0.00007722449971
                   +0 :              -0.00053720638849
                   +1 :              -0.00004754407788
                3p
                   -1 :              -0.00001526372249
                   +0 :               0.00041126013491
                   +1 :               0.00001352305175
                3d
                   -2 :               0.00001614102839
                   -1 :              -0.00001065162875
                   +0 :              -0.00002122618504
                   +1 :              -0.00000435973923
                   +2 :               0.00004143167368
              8 vec=     5.186775     11.736681     -4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00007493455913
                2s
                   +0 :               0.00102520380838
                3s
                   +0 :              -0.00008569453939
                2p
                   -1 :               0.00051146713724
                   +0 :              -0.00061649966305
                   +1 :              -0.00022352711719
                3p
                   -1 :              -0.00024237328239
                   +0 :               0.00013078136659
                   +1 :               0.00018936793203
                3d
                   -2 :               0.00001901720780
                   -1 :               0.00000820675275
                   +0 :               0.00004154508574
                   +1 :              -0.00000359890722
                   +2 :              -0.00002731267158
              9 vec=    12.966938     -1.738956     -4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00006373950431
                2s
                   +0 :               0.00030523934478
                3s
                   +0 :              -0.00019374251493
                2p
                   -1 :               0.00004224922817
                   +0 :              -0.00017429997649
                   +1 :               0.00030924241686
                3p
                   -1 :              -0.00007437279693
                   +0 :               0.00012179494389
                   +1 :              -0.00034329346527
                3d
                   -2 :               0.00000378992587
                   -1 :               0.00001244501966
                   +0 :              -0.00000103776601
                   +1 :               0.00000684127770
                   +2 :              -0.00003418003229
             10 vec=    12.966938      7.244802     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00001447637744
                2s
                   +0 :               0.00012153555805
                3s
                   +0 :              -0.00003380479079
                2p
                   -1 :              -0.00005817703970
                   +0 :              -0.00001109551493
                   +1 :               0.00002693763105
                3p
                   -1 :               0.00003388390379
                   +0 :              -0.00002286155337
                   +1 :               0.00003836915793
                3d
                   -2 :               0.00001317968484
                   -1 :              -0.00000832770883
                   +0 :              -0.00000581874534
                   +1 :               0.00000301706466
                   +2 :               0.00000267989571
             11 vec=   -10.373550     11.736681     -4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00001342092419
                2s
                   +0 :              -0.00001382288262
                3s
                   +0 :               0.00005216679305
                2p
                   -1 :               0.00003044541242
                   +0 :              -0.00004617146022
                   +1 :              -0.00003743892082
                3p
                   -1 :               0.00001503000352
                   +0 :               0.00000055502175
                   +1 :              -0.00003779242208
                3d
                   -2 :               0.00000088395564
                   -1 :               0.00000660247343
                   +0 :              -0.00000744258608
                   +1 :               0.00000230852624
                   +2 :              -0.00000056629246
             12 vec=     5.186775    -15.214593     -4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00004090295350
                2s
                   +0 :              -0.00027969283569
                3s
                   +0 :               0.00008620304224
                2p
                   -1 :               0.00018112249691
                   +0 :              -0.00015504380948
                   +1 :              -0.00002711757809
                3p
                   -1 :              -0.00003149330568
                   +0 :               0.00020803418373
                   +1 :              -0.00002073311116
                3d
                   -2 :              -0.00000545819250
                   -1 :              -0.00001610528145
                   +0 :               0.00000731162271
                   +1 :              -0.00000350050674
                   +2 :               0.00000784472896
             13 vec=    -2.593388     16.228560     -4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00002908850078
                2s
                   +0 :               0.00020439517096
                3s
                   +0 :              -0.00006229022798
                2p
                   -1 :               0.00012964382796
                   +0 :              -0.00002936305375
                   +1 :              -0.00011540557238
                3p
                   -1 :              -0.00005107996146
                   +0 :              -0.00000091886309
                   +1 :               0.00009137878069
                3d
                   -2 :               0.00000473993020
                   -1 :               0.00000433279998
                   +0 :               0.00000873743400
                   +1 :              -0.00000222503204
                   +2 :              -0.00001044136623
             14 vec=    12.966938    -10.722714     -4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00002306006186
                2s
                   +0 :              -0.00013918742409
                3s
                   +0 :               0.00006214305244
                2p
                   -1 :               0.00001560052383
                   +0 :              -0.00001056737638
                   +1 :               0.00004384730008
                3p
                   -1 :               0.00002178385327
                   +0 :               0.00002423405364
                   +1 :              -0.00005417987101
                3d
                   -2 :               0.00000687173872
                   -1 :              -0.00000206719753
                   +0 :              -0.00000267482609
                   +1 :               0.00000054604805
                   +2 :               0.00000984342631
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 29)  npairs=  14
              1 vec=     2.174815     -1.738956     -4.091257   |vec|=    4.948957
                1s
                   +0 :               0.00144481130828
                2s
                   +0 :              -0.03462941067699
                3s
                   +0 :               0.00334227476833
                2p
                   -1 :               0.00009184211514
                   +0 :               0.02166290858899
                   +1 :              -0.00980947907430
                3p
                   -1 :              -0.00557510690570
                   +0 :              -0.00139999939875
                   +1 :               0.00052676266577
                3d
                   -2 :              -0.00009772773994
                   -1 :               0.00111454053543
                   +0 :              -0.00166925881653
                   +1 :               0.00127121729142
                   +2 :              -0.00111334007532
              2 vec=    -5.605348      2.752923     -4.091257   |vec|=    7.465715
                1s
                   +0 :              -0.00019165514412
                2s
                   +0 :               0.00142398567388
                3s
                   +0 :              -0.00078972454881
                2p
                   -1 :               0.00176040629806
                   +0 :               0.00096803509219
                   +1 :              -0.00184983182119
                3p
                   -1 :              -0.00153717258820
                   +0 :              -0.00164352889197
                   +1 :               0.00049350343737
                3d
                   -2 :               0.00012723351640
                   -1 :               0.00004663138326
                   +0 :               0.00021923949145
                   +1 :              -0.00015478735151
                   +2 :              -0.00015072476784
              3 vec=     2.174815      7.244802     -4.091257   |vec|=    8.599730
                1s
                   +0 :              -0.00027565420584
                2s
                   +0 :               0.00082229122931
                3s
                   +0 :              -0.00012218847691
                2p
                   -1 :               0.00178437946223
                   +0 :               0.00252533510090
                   +1 :               0.00052349602533
                3p
                   -1 :              -0.00068456655751
                   +0 :              -0.00272661499234
                   +1 :              -0.00025867509104
                3d
                   -2 :              -0.00003783248120
                   -1 :              -0.00006775226983
                   +0 :               0.00020653762869
                   +1 :               0.00001657196207
                   +2 :               0.00007375327634
              4 vec=    -5.605348     -6.230835     -4.091257   |vec|=    9.326393
                1s
                   +0 :               0.00068574722995
                2s
                   +0 :              -0.00407842042351
                3s
                   +0 :               0.00162436764686
                2p
                   -1 :               0.00035291753020
                   +0 :               0.00162380377214
                   +1 :               0.00247529428571
                3p
                   -1 :              -0.00007806690328
                   +0 :               0.00017330909902
                   +1 :              -0.00168006898261
                3d
                   -2 :               0.00020325855951
                   -1 :               0.00010459015355
                   +0 :              -0.00019445568945
                   +1 :              -0.00004774188266
                   +2 :               0.00007686660855
              5 vec=     9.954977      2.752923     -4.091257   |vec|=   11.109390
                1s
                   +0 :              -0.00006597893680
                2s
                   +0 :               0.00065273703272
                3s
                   +0 :              -0.00031566928466
                2p
                   -1 :              -0.00005008808590
                   +0 :              -0.00022696390365
                   +1 :               0.00182041159417
                3p
                   -1 :              -0.00014858111412
                   +0 :               0.00018175386069
                   +1 :              -0.00154509224940
                3d
                   -2 :              -0.00007860612875
                   -1 :               0.00001136037455
                   +0 :               0.00017542022058
                   +1 :              -0.00002939368043
                   +2 :              -0.00011881175584
              6 vec=     2.174815    -10.722714     -4.091257   |vec|=   11.680959
                1s
                   +0 :              -0.00005459571470
                2s
                   +0 :               0.00003842267245
                3s
                   +0 :              -0.00015440988407
                2p
                   -1 :              -0.00026063421600
                   +0 :              -0.00029237691518
                   +1 :              -0.00058076847463
                3p
                   -1 :               0.00049878288506
                   +0 :               0.00028049112212
                   +1 :               0.00056809691164
                3d
                   -2 :               0.00006915193719
                   -1 :               0.00000354184507
                   +0 :               0.00010301633839
                   +1 :               0.00008454423637
                   +2 :               0.00012078360415
              7 vec=     9.954977     -6.230835     -4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00002762487727
                2s
                   +0 :              -0.00035786103972
                3s
                   +0 :               0.00012421610448
                2p
                   -1 :               0.00008542227923
                   +0 :               0.00007015435953
                   +1 :              -0.00089463857536
                3p
                   -1 :               0.00001123454715
                   +0 :              -0.00027507881303
                   +1 :               0.00079003932774
                3d
                   -2 :               0.00001196667320
                   -1 :               0.00003552228808
                   +0 :               0.00000073179759
                   +1 :              -0.00004946313542
                   +2 :               0.00003849508567
              8 vec=    -5.605348     11.736681     -4.091257   |vec|=   13.634808
                1s
                   +0 :              -0.00000821625837
                2s
                   +0 :               0.00050230597690
                3s
                   +0 :               0.00011610106947
                2p
                   -1 :               0.00009628786982
                   +0 :              -0.00028855652477
                   +1 :              -0.00016584996190
                3p
                   -1 :               0.00023201861689
                   +0 :              -0.00014252283293
                   +1 :               0.00004653638621
                3d
                   -2 :              -0.00002660366550
                   -1 :              -0.00002248934012
                   +0 :              -0.00000633171572
                   +1 :               0.00000516978520
                   +2 :              -0.00001593877158
              9 vec=   -13.385510     -1.738956     -4.091257   |vec|=   14.104405
                1s
                   +0 :               0.00002967433010
                2s
                   +0 :              -0.00024636381922
                3s
                   +0 :               0.00005866377339
                2p
                   -1 :              -0.00011387063567
                   +0 :              -0.00005732776719
                   +1 :              -0.00004912282662
                3p
                   -1 :               0.00007537389548
                   +0 :               0.00005953445609
                   +1 :               0.00016890892202
                3d
                   -2 :              -0.00000171892311
                   -1 :              -0.00000227683932
                   +0 :               0.00000490803014
                   +1 :              -0.00000767365503
                   +2 :              -0.00002112535617
             10 vec=   -13.385510      7.244802     -4.091257   |vec|=   15.760629
                1s
                   +0 :               0.00000263732978
                2s
                   +0 :               0.00000220395327
                3s
                   +0 :               0.00001677085714
                2p
                   -1 :               0.00004158964047
                   +0 :               0.00004941619968
                   +1 :              -0.00003956209794
                3p
                   -1 :              -0.00005535417245
                   +0 :              -0.00007086193642
                   +1 :              -0.00000589559589
                3d
                   -2 :               0.00000448763969
                   -1 :               0.00000206643271
                   +0 :               0.00000177928448
                   +1 :              -0.00000213175054
                   +2 :               0.00000471027902
             11 vec=     9.954977     11.736681     -4.091257   |vec|=   15.924498
                1s
                   +0 :              -0.00006848706054
                2s
                   +0 :               0.00049564422534
                3s
                   +0 :              -0.00021153695326
                2p
                   -1 :               0.00024722088926
                   +0 :              -0.00003599075621
                   +1 :               0.00040122167315
                3p
                   -1 :              -0.00010910674094
                   +0 :               0.00001772088763
                   +1 :              -0.00025228080560
                3d
                   -2 :              -0.00000874124002
                   -1 :              -0.00000616565211
                   +0 :              -0.00001434630377
                   +1 :               0.00000065707916
                   +2 :              -0.00001396688099
             12 vec=    -5.605348    -15.214593     -4.091257   |vec|=   16.722504
                1s
                   +0 :               0.00001097822639
                2s
                   +0 :              -0.00009999229198
                3s
                   +0 :               0.00002911763528
                2p
                   -1 :               0.00026223823974
                   +0 :               0.00007080379182
                   +1 :               0.00037191269546
                3p
                   -1 :              -0.00020869700953
                   +0 :              -0.00003914873342
                   +1 :              -0.00032914604449
                3d
                   -2 :               0.00002175652334
                   -1 :               0.00000584528255
                   +0 :              -0.00000978852425
                   +1 :               0.00001108061881
                   +2 :              -0.00000901456564
             13 vec=     2.174815     16.228560     -4.091257   |vec|=   16.877036
                1s
                   +0 :              -0.00003196491815
                2s
                   +0 :               0.00022681035737
                3s
                   +0 :              -0.00009223316827
                2p
                   -1 :               0.00015183464520
                   +0 :              -0.00005525768128
                   +1 :               0.00017866694073
                3p
                   -1 :              -0.00006426462564
                   +0 :               0.00001562605777
                   +1 :              -0.00013941069421
                3d
                   -2 :              -0.00001298825370
                   -1 :               0.00000087345198
                   +0 :               0.00000008404305
                   +1 :              -0.00000088553640
                   +2 :              -0.00000121369748
             14 vec=   -13.385510    -10.722714     -4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00000200001559
                2s
                   +0 :              -0.00000404624268
                3s
                   +0 :              -0.00000659050547
                2p
                   -1 :              -0.00001456932654
                   +0 :              -0.00002292857534
                   +1 :              -0.00008315913311
                3p
                   -1 :               0.00001015935133
                   +0 :               0.00002151277678
                   +1 :               0.00010021674059
                3d
                   -2 :              -0.00000207829064
                   -1 :               0.00000076354620
                   +0 :               0.00000515519834
                   +1 :              -0.00000156727161
                   +2 :              -0.00001104725479
WF             site_B          number of pairs
WF( 27)=[O_8_2py]  to site O ( 30)  npairs=  14
              1 vec=    -0.209286      3.115418     -4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00180205904849
                2s
                   +0 :               0.04322757605581
                3s
                   +0 :              -0.00253661504352
                2p
                   -1 :               0.01038982844354
                   +0 :              -0.02321247601189
                   +1 :               0.00168874755304
                3p
                   -1 :               0.00410248312994
                   +0 :              -0.00100488526652
                   +1 :              -0.00270707395320
                3d
                   -2 :              -0.00008280836374
                   -1 :              -0.00222927653616
                   +0 :               0.00139389221223
                   +1 :              -0.00067981560465
                   +2 :              -0.00057448885209
              2 vec=    -0.209286     -5.868340     -4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00136651619050
                2s
                   +0 :              -0.01157286145643
                3s
                   +0 :               0.00588029323010
                2p
                   -1 :               0.01521052754956
                   +0 :               0.01307387227051
                   +1 :               0.00044354017921
                3p
                   -1 :              -0.01171049445729
                   +0 :              -0.00885601907181
                   +1 :              -0.00121297129808
                3d
                   -2 :               0.00006851819940
                   -1 :               0.00134726000272
                   +0 :               0.00049141321814
                   +1 :              -0.00000693817633
                   +2 :              -0.00067893752911
              3 vec=     7.570876     -1.376461     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00021354119406
                2s
                   +0 :               0.00134280412519
                3s
                   +0 :              -0.00071285031679
                2p
                   -1 :              -0.00188490716635
                   +0 :              -0.00006179397436
                   +1 :              -0.00143661378946
                3p
                   -1 :               0.00145079190780
                   +0 :              -0.00037177190943
                   +1 :               0.00105508105591
                3d
                   -2 :              -0.00001453134137
                   -1 :               0.00008319870367
                   +0 :               0.00007855860418
                   +1 :              -0.00009356216028
                   +2 :               0.00018342803405
              4 vec=    -7.989449     -1.376461     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00023364022431
                2s
                   +0 :               0.00147631615363
                3s
                   +0 :              -0.00076650160966
                2p
                   -1 :               0.00097227760949
                   +0 :              -0.00055020561268
                   +1 :               0.00074189038470
                3p
                   -1 :              -0.00104500059254
                   +0 :               0.00017732465234
                   +1 :              -0.00024749345642
                3d
                   -2 :               0.00005220514302
                   -1 :               0.00006342827029
                   +0 :              -0.00003912676677
                   +1 :               0.00017683310088
                   +2 :               0.00009644054673
              5 vec=     7.570876      7.607297     -4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00006376485106
                2s
                   +0 :              -0.00011778272501
                3s
                   +0 :               0.00046641940307
                2p
                   -1 :              -0.00092818024513
                   +0 :               0.00009081686445
                   +1 :               0.00036631581599
                3p
                   -1 :               0.00115996191603
                   +0 :              -0.00046142664960
                   +1 :               0.00026355950058
                3d
                   -2 :               0.00008525326444
                   -1 :               0.00000811048946
                   +0 :              -0.00006459977736
                   +1 :              -0.00006332453023
                   +2 :              -0.00002884801806
              6 vec=    -7.989449      7.607297     -4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00003106525936
                2s
                   +0 :               0.00036844333694
                3s
                   +0 :              -0.00005798686698
                2p
                   -1 :               0.00051282271602
                   +0 :              -0.00037129939772
                   +1 :              -0.00053477810073
                3p
                   -1 :              -0.00047100337414
                   +0 :               0.00029208515992
                   +1 :               0.00027510518235
                3d
                   -2 :              -0.00000661595206
                   -1 :               0.00002737403250
                   +0 :              -0.00004174024639
                   +1 :              -0.00000375628761
                   +2 :               0.00000201351167
              7 vec=    -0.209286     12.099176     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00000375480070
                2s
                   +0 :               0.00038751949765
                3s
                   +0 :               0.00004768842293
                2p
                   -1 :              -0.00055354507713
                   +0 :               0.00009522948770
                   +1 :               0.00019741282840
                3p
                   -1 :               0.00058059135051
                   +0 :              -0.00019443482680
                   +1 :              -0.00009268082142
                3d
                   -2 :               0.00001047757854
                   -1 :              -0.00001768066705
                   +0 :              -0.00000235105170
                   +1 :              -0.00000662096347
                   +2 :              -0.00001871957501
              8 vec=     7.570876    -10.360219     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00004699294281
                2s
                   +0 :              -0.00053825659054
                3s
                   +0 :               0.00000301219995
                2p
                   -1 :               0.00016576112337
                   +0 :              -0.00000439923952
                   +1 :               0.00035366257905
                3p
                   -1 :              -0.00018700891423
                   +0 :               0.00029424798831
                   +1 :              -0.00045271500552
                3d
                   -2 :               0.00002712366766
                   -1 :              -0.00002202993791
                   +0 :              -0.00003533333355
                   +1 :               0.00004193981144
                   +2 :              -0.00005787555729
              9 vec=    -7.989449    -10.360219     -4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00014015561199
                2s
                   +0 :               0.00052189782988
                3s
                   +0 :              -0.00046632351556
                2p
                   -1 :               0.00048241190922
                   +0 :              -0.00015081391109
                   +1 :               0.00027657764224
                3p
                   -1 :              -0.00043356290395
                   +0 :               0.00014439561272
                   +1 :              -0.00020135190762
                3d
                   -2 :               0.00001590690847
                   -1 :               0.00001698876837
                   +0 :              -0.00001987213909
                   +1 :               0.00002598885166
                   +2 :               0.00000182545461
             10 vec=    -0.209286    -14.852098     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00001744364738
                2s
                   +0 :               0.00007624855166
                3s
                   +0 :              -0.00015243695129
                2p
                   -1 :              -0.00013655912876
                   +0 :               0.00013185530932
                   +1 :               0.00014660034860
                3p
                   -1 :               0.00020306963766
                   +0 :              -0.00005668475581
                   +1 :              -0.00011883114243
                3d
                   -2 :               0.00001576403059
                   -1 :               0.00000494949959
                   +0 :              -0.00001555352974
                   +1 :               0.00000872343217
                   +2 :               0.00001059897022
             11 vec=    15.351039      3.115418     -4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00002702669726
                2s
                   +0 :              -0.00013526537522
                3s
                   +0 :               0.00010026718860
                2p
                   -1 :              -0.00018897816377
                   +0 :              -0.00016962149886
                   +1 :              -0.00027092067020
                3p
                   -1 :               0.00013228266314
                   +0 :               0.00010218501772
                   +1 :               0.00027885072627
                3d
                   -2 :               0.00001211194233
                   -1 :              -0.00000416009525
                   +0 :              -0.00001278207237
                   +1 :               0.00000294474213
                   +2 :               0.00002187803035
             12 vec=   -15.769612      3.115418     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00000639514093
                2s
                   +0 :               0.00005732059772
                3s
                   +0 :              -0.00002040074723
                2p
                   -1 :              -0.00005534607072
                   +0 :              -0.00004022244476
                   +1 :               0.00003672661322
                3p
                   -1 :               0.00002480590600
                   +0 :               0.00002248982594
                   +1 :              -0.00005928738331
                3d
                   -2 :               0.00000265723308
                   -1 :               0.00000221656446
                   +0 :              -0.00000451512517
                   +1 :              -0.00000525873538
                   +2 :               0.00000263607269
             13 vec=    15.351039     -5.868340     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00000136366965
                2s
                   +0 :              -0.00000689059207
                3s
                   +0 :              -0.00001459093291
                2p
                   -1 :              -0.00002853176492
                   +0 :               0.00001473678137
                   +1 :               0.00006332766495
                3p
                   -1 :               0.00002854725527
                   +0 :               0.00000680618479
                   +1 :              -0.00008607539915
                3d
                   -2 :              -0.00000095673755
                   -1 :               0.00000375986523
                   +0 :              -0.00000129910459
                   +1 :               0.00000141212521
                   +2 :              -0.00001273868540
             14 vec=   -15.769612     -5.868340     -4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00001571307418
                2s
                   +0 :              -0.00012090705987
                3s
                   +0 :               0.00004466493210
                2p
                   -1 :               0.00008465337627
                   +0 :               0.00004554349311
                   +1 :               0.00005395761387
                3p
                   -1 :              -0.00005630886030
                   +0 :              -0.00000331678565
                   +1 :              -0.00003844062574
                3d
                   -2 :              -0.00000160870892
                   -1 :               0.00000158899682
                   +0 :              -0.00000455401663
                   +1 :               0.00000005905373
                   +2 :              -0.00000408298494
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al(  1)  npairs=  14
              1 vec=    -2.802674      1.376461     -5.671791   |vec|=    6.474477
                2s
                   +0 :               0.00464802671984
                2p
                   -1 :               0.00079123750926
                   +0 :              -0.00285754537603
                   +1 :              -0.00213878555648
                3s
                   +0 :              -0.01165996182868
                4s
                   +0 :               0.00742208871181
                3p
                   -1 :              -0.00335739057883
                   +0 :               0.01200241145742
                   +1 :               0.00695864222019
                4p
                   -1 :               0.00182195264365
                   +0 :              -0.00562781848763
                   +1 :              -0.00344632746694
                3d
                   -2 :              -0.00091775028187
                   -1 :               0.00049205785675
                   +0 :              -0.00200638718034
                   +1 :              -0.00080662210687
                   +2 :               0.00117374585779
              2 vec=     4.977489     -3.115418     -5.671791   |vec|=    8.163972
                2s
                   +0 :              -0.00137740551476
                2p
                   -1 :               0.00079315521644
                   +0 :               0.00047809330918
                   +1 :              -0.00099185756089
                3s
                   +0 :              -0.00967984728777
                4s
                   +0 :              -0.00153397155213
                3p
                   -1 :              -0.00058991544636
                   +0 :               0.00030488683304
                   +1 :              -0.00802238326058
                4p
                   -1 :               0.00171993446104
                   +0 :               0.00038845502246
                   +1 :              -0.00077703810341
                3d
                   -2 :               0.00206929308358
                   -1 :               0.00009193259804
                   +0 :               0.00206648023162
                   +1 :               0.00068316005145
                   +2 :              -0.00290493404679
              3 vec=     4.977489      5.868340     -5.671791   |vec|=    9.559395
                2s
                   +0 :              -0.00048080871016
                2p
                   -1 :              -0.00016553580261
                   +0 :               0.00010833774981
                   +1 :               0.00104544634839
                3s
                   +0 :               0.00074245648526
                4s
                   +0 :              -0.00016491442617
                3p
                   -1 :               0.00104557013186
                   +0 :              -0.00067069516177
                   +1 :              -0.00468388749107
                4p
                   -1 :              -0.00018827663851
                   +0 :               0.00026305465512
                   +1 :               0.00102548817439
                3d
                   -2 :              -0.00099339250571
                   -1 :               0.00017295853784
                   +0 :              -0.00020415563104
                   +1 :               0.00090981931952
                   +2 :               0.00019382595550
              4 vec=    -2.802674     -7.607297     -5.671791   |vec|=    9.894198
                2s
                   +0 :               0.00003310444266
                2p
                   -1 :               0.00028851463887
                   +0 :              -0.00037318220435
                   +1 :               0.00014942603244
                3s
                   +0 :              -0.00005816667243
                4s
                   +0 :              -0.00016005548079
                3p
                   -1 :              -0.00133909461011
                   +0 :               0.00226290188317
                   +1 :              -0.00082722056257
                4p
                   -1 :               0.00069830247243
                   +0 :              -0.00062972628277
                   +1 :               0.00021389833296
                3d
                   -2 :               0.00030259415562
                   -1 :              -0.00036708919949
                   +0 :              -0.00022407542910
                   +1 :              -0.00015146431350
                   +2 :               0.00030453380527
              5 vec=    -2.802674     10.360219     -5.671791   |vec|=   12.139125
                2s
                   +0 :              -0.00036751439457
                2p
                   -1 :              -0.00024807229592
                   +0 :               0.00016121066097
                   +1 :              -0.00008671206125
                3s
                   +0 :               0.00063355167020
                4s
                   +0 :              -0.00038799957001
                3p
                   -1 :               0.00103747109431
                   +0 :              -0.00002567260740
                   +1 :               0.00003663779689
                4p
                   -1 :              -0.00031932653796
                   +0 :               0.00012187355116
                   +1 :              -0.00008476099618
                3d
                   -2 :              -0.00009594430734
                   -1 :               0.00003134210619
                   +0 :              -0.00023658682188
                   +1 :               0.00004209094954
                   +2 :              -0.00009996998140
              6 vec=   -10.582837     -3.115418     -5.671791   |vec|=   12.404494
                2s
                   +0 :              -0.00046899028771
                2p
                   -1 :               0.00015158317643
                   +0 :               0.00018882366264
                   +1 :               0.00024752883319
                3s
                   +0 :               0.00124923426724
                4s
                   +0 :              -0.00024030068484
                3p
                   -1 :              -0.00059514965717
                   +0 :              -0.00069430408339
                   +1 :              -0.00119744929980
                4p
                   -1 :               0.00017099209490
                   +0 :               0.00013483793285
                   +1 :               0.00009539730236
                3d
                   -2 :               0.00027105515383
                   -1 :               0.00015212103233
                   +0 :              -0.00009647274747
                   +1 :               0.00041857640152
                   +2 :               0.00028535791552
              7 vec=   -10.582837      5.868340     -5.671791   |vec|=   13.364246
                2s
                   +0 :               0.00016635530141
                2p
                   -1 :               0.00013083998601
                   +0 :              -0.00003605677458
                   +1 :              -0.00004542393402
                3s
                   +0 :              -0.00087371594576
                4s
                   +0 :               0.00019180474607
                3p
                   -1 :              -0.00072008832323
                   +0 :               0.00005567195545
                   +1 :               0.00036240757835
                4p
                   -1 :               0.00015878965599
                   +0 :               0.00004726936731
                   +1 :              -0.00008384426009
                3d
                   -2 :               0.00014800831866
                   -1 :               0.00006070079598
                   +0 :               0.00001860326948
                   +1 :              -0.00001697383286
                   +2 :               0.00014104010961
              8 vec=    12.757651      1.376461     -5.671791   |vec|=   14.029310
                2s
                   +0 :              -0.00041008467375
                2p
                   -1 :               0.00018538295904
                   +0 :               0.00004852393371
                   +1 :              -0.00025048683618
                3s
                   +0 :               0.00101297761045
                4s
                   +0 :              -0.00021961060737
                3p
                   -1 :              -0.00090216076676
                   +0 :              -0.00020229628027
                   +1 :               0.00085141312542
                4p
                   -1 :               0.00020020882297
                   +0 :               0.00005111250044
                   +1 :              -0.00007128546176
                3d
                   -2 :              -0.00020108233407
                   -1 :               0.00008683221758
                   +0 :              -0.00008543397859
                   +1 :              -0.00014909946357
                   +2 :               0.00016051584611
              9 vec=     4.977489    -12.099176     -5.671791   |vec|=   14.259546
                2s
                   +0 :              -0.00000827825878
                2p
                   -1 :              -0.00006007195743
                   +0 :               0.00001303727252
                   +1 :              -0.00002890654853
                3s
                   +0 :               0.00003977869366
                4s
                   +0 :              -0.00010506336009
                3p
                   -1 :               0.00027765655828
                   +0 :              -0.00020354445324
                   +1 :               0.00024168352730
                4p
                   -1 :               0.00000510602697
                   +0 :               0.00006388030832
                   +1 :              -0.00005370218903
                3d
                   -2 :               0.00007615037901
                   -1 :              -0.00003458996051
                   +0 :              -0.00001865432607
                   +1 :              -0.00003358038075
                   +2 :               0.00011329165247
             10 vec=    12.757651     -7.607297     -5.671791   |vec|=   15.899618
                2s
                   +0 :              -0.00007424389546
                2p
                   -1 :               0.00001493426135
                   +0 :              -0.00000276948216
                   +1 :              -0.00000689525853
                3s
                   +0 :               0.00017264576440
                4s
                   +0 :              -0.00004329282987
                3p
                   -1 :              -0.00000247997733
                   +0 :               0.00001671821298
                   +1 :               0.00004110596270
                4p
                   -1 :              -0.00001117085760
                   +0 :              -0.00002029340102
                   +1 :              -0.00000424231733
                3d
                   -2 :              -0.00000375689877
                   -1 :               0.00000106410770
                   +0 :               0.00002124748120
                   +1 :              -0.00003221432099
                   +2 :               0.00001863114455
             11 vec=     4.977489     14.852098     -5.671791   |vec|=   16.659215
                2s
                   +0 :               0.00004452364252
                2p
                   -1 :              -0.00000176656784
                   +0 :              -0.00000335571205
                   +1 :              -0.00002797907479
                3s
                   +0 :              -0.00025269188459
                4s
                   +0 :               0.00003611316662
                3p
                   -1 :              -0.00007181989803
                   +0 :               0.00010700908223
                   +1 :               0.00020348556593
                4p
                   -1 :              -0.00000430039843
                   +0 :              -0.00001528892760
                   +1 :              -0.00005434076619
                3d
                   -2 :               0.00004575842403
                   -1 :               0.00003784246076
                   +0 :              -0.00001712097013
                   +1 :              -0.00005708078245
                   +2 :              -0.00000270373896
             12 vec=   -10.582837    -12.099176     -5.671791   |vec|=   17.045694
                2s
                   +0 :              -0.00003490428537
                2p
                   -1 :               0.00002685995987
                   +0 :               0.00000472905448
                   +1 :               0.00004035596401
                3s
                   +0 :               0.00000919810008
                4s
                   +0 :              -0.00006138221244
                3p
                   -1 :              -0.00013316908725
                   +0 :               0.00008237945180
                   +1 :              -0.00010601084718
                4p
                   -1 :               0.00005094823779
                   +0 :              -0.00001067951468
                   +1 :               0.00004728258869
                3d
                   -2 :               0.00004670318621
                   -1 :               0.00001008582230
                   +0 :              -0.00003233365503
                   +1 :              -0.00000214466966
                   +2 :              -0.00001538662804
             13 vec=    12.757651     10.360219     -5.671791   |vec|=   17.385656
                2s
                   +0 :              -0.00001298481492
                2p
                   -1 :               0.00000479596540
                   +0 :               0.00000075611149
                   +1 :               0.00003189477241
                3s
                   +0 :              -0.00004731988946
                4s
                   +0 :               0.00005701246625
                3p
                   -1 :              -0.00005374214647
                   +0 :               0.00005897112350
                   +1 :              -0.00022589905679
                4p
                   -1 :               0.00003733859195
                   +0 :              -0.00003480694927
                   +1 :               0.00008391839356
                3d
                   -2 :              -0.00001735228662
                   -1 :               0.00000322362447
                   +0 :              -0.00003084879945
                   +1 :               0.00001745364827
                   +2 :              -0.00004691947653
             14 vec=    -2.802674    -16.591055     -5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00001817703358
                2p
                   -1 :               0.00002346395409
                   +0 :              -0.00000120485278
                   +1 :              -0.00000763708324
                3s
                   +0 :               0.00006481159593
                4s
                   +0 :              -0.00003319222810
                3p
                   -1 :              -0.00011648202555
                   +0 :              -0.00000940557470
                   +1 :               0.00005426961398
                4p
                   -1 :               0.00003575800930
                   +0 :               0.00001272247065
                   +1 :              -0.00002478787754
                3d
                   -2 :               0.00000124930005
                   -1 :               0.00002209846674
                   +0 :              -0.00000436379088
                   +1 :               0.00000540874171
                   +2 :              -0.00001974227979
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al(  2)  npairs=  14
              1 vec=    -2.802674      1.376461      1.580534   |vec|=    3.499674
                2s
                   +0 :               0.02250618006628
                2p
                   -1 :               0.01079251444649
                   +0 :               0.00425639861876
                   +1 :              -0.01943148191111
                3s
                   +0 :               0.03262070739985
                4s
                   +0 :               0.00941185576031
                3p
                   -1 :               0.02265685207224
                   +0 :              -0.01431824388850
                   +1 :              -0.05378849514081
                4p
                   -1 :               0.00628607776674
                   +0 :               0.00308581204500
                   +1 :              -0.00735331079623
                3d
                   -2 :              -0.03044999519471
                   -1 :               0.00141188898380
                   +0 :              -0.03075735245263
                   +1 :              -0.00082279086777
                   +2 :               0.02190707997214
              2 vec=     4.977489     -3.115418      1.580534   |vec|=    6.081062
                2s
                   +0 :              -0.00175755964086
                2p
                   -1 :               0.00079845954346
                   +0 :               0.00035917177119
                   +1 :              -0.00121982573808
                3s
                   +0 :               0.00370973113206
                4s
                   +0 :              -0.00358351896206
                3p
                   -1 :              -0.00067815630235
                   +0 :               0.00140518674180
                   +1 :               0.00631242511118
                4p
                   -1 :               0.00058687635201
                   +0 :               0.00050353692542
                   +1 :              -0.00202916097442
                3d
                   -2 :              -0.00175047975597
                   -1 :              -0.00090362382167
                   +0 :               0.00015116772973
                   +1 :               0.00141793549715
                   +2 :               0.00205805006175
              3 vec=     4.977489      5.868340      1.580534   |vec|=    7.855629
                2s
                   +0 :               0.00017528955520
                2p
                   -1 :              -0.00045927918353
                   +0 :              -0.00021390172814
                   +1 :               0.00062105683800
                3s
                   +0 :              -0.00578276777175
                4s
                   +0 :               0.00090777954051
                3p
                   -1 :              -0.00134151097192
                   +0 :               0.00146069385832
                   +1 :              -0.00806992652902
                4p
                   -1 :              -0.00030418615495
                   +0 :              -0.00105478487861
                   +1 :               0.00112627926685
                3d
                   -2 :              -0.00123506355291
                   -1 :              -0.00010676423599
                   +0 :               0.00116209494667
                   +1 :              -0.00080099751919
                   +2 :              -0.00176399037589
              4 vec=    -2.802674     -7.607297      1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00050118445298
                2p
                   -1 :               0.00058062044084
                   +0 :               0.00021055228818
                   +1 :               0.00079694175069
                3s
                   +0 :               0.00214320759365
                4s
                   +0 :              -0.00081783557616
                3p
                   -1 :              -0.00210429905422
                   +0 :              -0.00092763194452
                   +1 :              -0.00395983660484
                4p
                   -1 :               0.00067373862247
                   +0 :               0.00023523459248
                   +1 :               0.00126521620488
                3d
                   -2 :               0.00083266844374
                   -1 :               0.00022028238512
                   +0 :               0.00003196424916
                   +1 :              -0.00075532679182
                   +2 :              -0.00001884938050
              5 vec=    -2.802674     10.360219      1.580534   |vec|=   10.848374
                2s
                   +0 :               0.00011471813984
                2p
                   -1 :              -0.00001292906993
                   +0 :               0.00009292195382
                   +1 :              -0.00004533724332
                3s
                   +0 :               0.00052546697718
                4s
                   +0 :              -0.00008550935894
                3p
                   -1 :               0.00106034973058
                   +0 :              -0.00127832921882
                   +1 :               0.00030588108464
                4p
                   -1 :              -0.00033207907491
                   +0 :               0.00016759749298
                   +1 :              -0.00002182749054
                3d
                   -2 :               0.00006479690226
                   -1 :              -0.00027583600448
                   +0 :               0.00017974508332
                   +1 :               0.00017127157186
                   +2 :              -0.00014160988805
              6 vec=   -10.582837     -3.115418      1.580534   |vec|=   11.144521
                2s
                   +0 :               0.00000008738650
                2p
                   -1 :               0.00005401932672
                   +0 :              -0.00000004998589
                   +1 :               0.00000342299967
                3s
                   +0 :               0.00113039719513
                4s
                   +0 :              -0.00035122896264
                3p
                   -1 :              -0.00056782010151
                   +0 :              -0.00060364828002
                   +1 :              -0.00067652063328
                4p
                   -1 :               0.00012184670265
                   +0 :               0.00007976620133
                   +1 :               0.00023122084956
                3d
                   -2 :               0.00022439827262
                   -1 :               0.00023437471894
                   +0 :               0.00026327239441
                   +1 :               0.00014704825038
                   +2 :              -0.00014365148603
              7 vec=   -10.582837      5.868340      1.580534   |vec|=   12.203767
                2s
                   +0 :              -0.00016150247550
                2p
                   -1 :               0.00003446934304
                   +0 :              -0.00022720153306
                   +1 :               0.00011544685552
                3s
                   +0 :               0.00038958381684
                4s
                   +0 :               0.00004554962663
                3p
                   -1 :              -0.00021685551008
                   +0 :               0.00105935880827
                   +1 :              -0.00053823683317
                4p
                   -1 :               0.00006529001258
                   +0 :              -0.00025379160432
                   +1 :               0.00001588820460
                3d
                   -2 :              -0.00001015175979
                   -1 :               0.00000237860053
                   +0 :               0.00006586592583
                   +1 :              -0.00012999542793
                   +2 :               0.00011095163887
              8 vec=    12.757651      1.376461      1.580534   |vec|=   12.928666
                2s
                   +0 :              -0.00005667276924
                2p
                   -1 :               0.00019600932518
                   +0 :               0.00021312404627
                   +1 :               0.00004269520893
                3s
                   +0 :               0.00043201191066
                4s
                   +0 :              -0.00026723104964
                3p
                   -1 :              -0.00094122296787
                   +0 :              -0.00092836984503
                   +1 :              -0.00009973039763
                4p
                   -1 :               0.00023855652251
                   +0 :               0.00022547404859
                   +1 :              -0.00005700447184
                3d
                   -2 :              -0.00022194669579
                   -1 :               0.00001697718548
                   +0 :               0.00010335993776
                   +1 :              -0.00020758516249
                   +2 :              -0.00021176328969
              9 vec=     4.977489    -12.099176      1.580534   |vec|=   13.178146
                2s
                   +0 :               0.00022284147234
                2p
                   -1 :              -0.00015543948432
                   +0 :               0.00001087562419
                   +1 :              -0.00003004661295
                3s
                   +0 :              -0.00054062171356
                4s
                   +0 :               0.00025302850587
                3p
                   -1 :               0.00062510941027
                   +0 :               0.00025998725167
                   +1 :               0.00011880067679
                4p
                   -1 :              -0.00016532299570
                   +0 :              -0.00004659463705
                   +1 :              -0.00006272848535
                3d
                   -2 :              -0.00001293164193
                   -1 :               0.00001983558499
                   +0 :               0.00009078816549
                   +1 :              -0.00003568293554
                   +2 :               0.00008049188961
             10 vec=    12.757651     -7.607297      1.580534   |vec|=   14.937427
                2s
                   +0 :               0.00004653623013
                2p
                   -1 :              -0.00001179658234
                   +0 :               0.00001966409542
                   +1 :              -0.00000385011026
                3s
                   +0 :              -0.00019263170206
                4s
                   +0 :               0.00008064457169
                3p
                   -1 :               0.00015889008132
                   +0 :               0.00001494449792
                   +1 :              -0.00005201510828
                4p
                   -1 :              -0.00006819307565
                   +0 :              -0.00001059410104
                   +1 :               0.00002001772294
                3d
                   -2 :               0.00003117816278
                   -1 :              -0.00002676872500
                   +0 :               0.00005711665541
                   +1 :               0.00004950083049
                   +2 :               0.00004230179769
             11 vec=     4.977489     14.852098      1.580534   |vec|=   15.743516
                2s
                   +0 :              -0.00000870447207
                2p
                   -1 :               0.00001579120178
                   +0 :              -0.00000943247973
                   +1 :              -0.00003195970567
                3s
                   +0 :               0.00004459433677
                4s
                   +0 :              -0.00003003495738
                3p
                   -1 :              -0.00007872303342
                   +0 :              -0.00006373730631
                   +1 :               0.00017646717367
                4p
                   -1 :               0.00001818160020
                   +0 :               0.00004865533166
                   +1 :              -0.00007249818526
                3d
                   -2 :              -0.00003921221585
                   -1 :              -0.00000607966418
                   +0 :               0.00000066932967
                   +1 :              -0.00001508921873
                   +2 :               0.00004238187242
             12 vec=   -10.582837    -12.099176      1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00001014750121
                2p
                   -1 :              -0.00000691229277
                   +0 :               0.00001190952662
                   +1 :               0.00000317056366
                3s
                   +0 :               0.00008105258035
                4s
                   +0 :              -0.00002276437572
                3p
                   -1 :               0.00003960896467
                   +0 :              -0.00008903668927
                   +1 :              -0.00006780385674
                4p
                   -1 :              -0.00000738248694
                   +0 :               0.00000333991147
                   +1 :               0.00001555327536
                3d
                   -2 :               0.00001581373453
                   -1 :               0.00001233493632
                   +0 :               0.00003355136945
                   +1 :               0.00001250080116
                   +2 :               0.00001356539846
             13 vec=    12.757651     10.360219      1.580534   |vec|=   16.510297
                2s
                   +0 :               0.00002030722213
                2p
                   -1 :               0.00000444141946
                   +0 :               0.00000317127381
                   +1 :               0.00002465294554
                3s
                   +0 :              -0.00018379659243
                4s
                   +0 :               0.00011790257297
                3p
                   -1 :              -0.00012093795158
                   +0 :              -0.00001029261704
                   +1 :              -0.00018951088192
                4p
                   -1 :               0.00007084174024
                   +0 :               0.00000008384588
                   +1 :               0.00006511075523
                3d
                   -2 :              -0.00003155833647
                   -1 :              -0.00001491734097
                   +0 :              -0.00002002848109
                   +1 :               0.00000566308421
                   +2 :              -0.00001897071815
             14 vec=    -2.802674    -16.591055      1.580534   |vec|=   16.900182
                2s
                   +0 :              -0.00002446551954
                2p
                   -1 :              -0.00002046659648
                   +0 :               0.00001357091187
                   +1 :              -0.00001672166431
                3s
                   +0 :               0.00013501914197
                4s
                   +0 :              -0.00005408064653
                3p
                   -1 :               0.00006861727119
                   +0 :              -0.00005470384300
                   +1 :               0.00009558391481
                4p
                   -1 :              -0.00000485836556
                   +0 :               0.00000758378700
                   +1 :              -0.00002982045876
                3d
                   -2 :              -0.00001281114218
                   -1 :               0.00000256284040
                   +0 :               0.00001960720101
                   +1 :               0.00002727335110
                   +2 :               0.00003653861289
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Cr(  3)  npairs=  15
              1 vec=    -2.802674      1.376461    -10.693237   |vec|=   11.139791
                3s
                   +0 :               0.00124044416587
                3p
                   -1 :              -0.00013027148872
                   +0 :              -0.00066653497323
                   +1 :              -0.00040289691942
                4s
                   +0 :              -0.00106485965250
                5s
                   +0 :              -0.00000241075450
                3d
                   -2 :              -0.00073806531068
                   -1 :               0.00040301575365
                   +0 :              -0.00065980397901
                   +1 :               0.00014727012713
                   +2 :              -0.00021742368088
                4d
                   -2 :               0.00034767065486
                   -1 :               0.00015439260931
                   +0 :               0.00035895907201
                   +1 :              -0.00034557412146
                   +2 :              -0.00010427618932
                4p
                   -1 :              -0.00021871554213
                   +0 :               0.00033585076802
                   +1 :               0.00098565550253
              2 vec=     4.977489     -3.115418    -10.693237   |vec|=   12.199448
                3s
                   +0 :               0.00016017062866
                3p
                   -1 :              -0.00008771402090
                   +0 :              -0.00014055471468
                   +1 :               0.00009078463873
                4s
                   +0 :               0.00024266795380
                5s
                   +0 :              -0.00007195884927
                3d
                   -2 :               0.00095481715312
                   -1 :              -0.00021855432328
                   +0 :              -0.00085508057431
                   +1 :              -0.00027234076755
                   +2 :              -0.00011471534758
                4d
                   -2 :               0.00024052886452
                   -1 :              -0.00015504574288
                   +0 :              -0.00002663673249
                   +1 :              -0.00002164480658
                   +2 :               0.00008033105727
                4p
                   -1 :               0.00038170271208
                   +0 :               0.00030201023342
                   +1 :               0.00012647800910
              3 vec=     4.977489      5.868340    -10.693237   |vec|=   13.174146
                3s
                   +0 :              -0.00010915959052
                3p
                   -1 :               0.00013102666184
                   +0 :              -0.00011236748981
                   +1 :               0.00025892564127
                4s
                   +0 :               0.00110666247748
                5s
                   +0 :              -0.00004651609941
                3d
                   -2 :               0.00066058956749
                   -1 :              -0.00067838078970
                   +0 :               0.00018163567304
                   +1 :              -0.00084307990776
                   +2 :               0.00025035676023
                4d
                   -2 :              -0.00002853166900
                   -1 :              -0.00017128222804
                   +0 :               0.00007066858778
                   +1 :               0.00006928391055
                   +2 :               0.00004461230612
                4p
                   -1 :               0.00018312827337
                   +0 :              -0.00047154372515
                   +1 :              -0.00000098171058
              4 vec=    -2.802674     -7.607297    -10.693237   |vec|=   13.419063
                3s
                   +0 :               0.00007225950297
                3p
                   -1 :              -0.00023617290855
                   +0 :              -0.00015893101900
                   +1 :              -0.00009684457825
                4s
                   +0 :               0.00094170397457
                5s
                   +0 :              -0.00005765421345
                3d
                   -2 :               0.00001412643718
                   -1 :               0.00058204740043
                   +0 :               0.00013444171637
                   +1 :              -0.00004070147674
                   +2 :              -0.00042899412462
                4d
                   -2 :               0.00001414842308
                   -1 :               0.00025115060561
                   +0 :               0.00013505182183
                   +1 :              -0.00005960514518
                   +2 :              -0.00022108591557
                4p
                   -1 :              -0.00033787713110
                   +0 :              -0.00039209760096
                   +1 :               0.00019656131541
              5 vec=    -2.802674      1.376461     13.854306   |vec|=   14.201810
                3s
                   +0 :              -0.00004929438212
                3p
                   -1 :              -0.00014407291726
                   +0 :               0.00002363938626
                   +1 :               0.00002996531090
                4s
                   +0 :               0.00005892344129
                5s
                   +0 :               0.00001686293243
                3d
                   -2 :              -0.00001721359419
                   -1 :              -0.00014002442827
                   +0 :               0.00010892020929
                   +1 :               0.00012604447971
                   +2 :               0.00000071013161
                4d
                   -2 :              -0.00007429976837
                   -1 :               0.00015991229507
                   +0 :              -0.00000989347189
                   +1 :               0.00000976997472
                   +2 :              -0.00008293004208
                4p
                   -1 :               0.00027376944921
                   +0 :               0.00001712171098
                   +1 :              -0.00009099581994
              6 vec=     4.977489     -3.115418     13.854306   |vec|=   15.047359
                3s
                   +0 :               0.00016993155932
                3p
                   -1 :              -0.00015905946415
                   +0 :               0.00003543623799
                   +1 :               0.00016363246927
                4s
                   +0 :              -0.00021642781248
                5s
                   +0 :              -0.00001990620237
                3d
                   -2 :               0.00018667704473
                   -1 :               0.00000428278930
                   +0 :               0.00011439371225
                   +1 :              -0.00012637879434
                   +2 :               0.00009707508253
                4d
                   -2 :               0.00008407775942
                   -1 :               0.00006814637472
                   +0 :               0.00004978537519
                   +1 :              -0.00000038376917
                   +2 :              -0.00012283651132
                4p
                   -1 :               0.00023268114743
                   +0 :               0.00000576846264
                   +1 :              -0.00023330932484
              7 vec=    -2.802674     10.360219    -10.693237   |vec|=   15.150394
                3s
                   +0 :              -0.00004281883847
                3p
                   -1 :              -0.00002139583810
                   +0 :               0.00001014129780
                   +1 :              -0.00005090571783
                4s
                   +0 :               0.00007974011147
                5s
                   +0 :               0.00000567944484
                3d
                   -2 :               0.00004128063068
                   -1 :               0.00013083791739
                   +0 :               0.00012718850145
                   +1 :               0.00010503805578
                   +2 :               0.00005898834380
                4d
                   -2 :              -0.00000494106166
                   -1 :               0.00001068533977
                   +0 :               0.00002268547724
                   +1 :              -0.00001179749142
                   +2 :               0.00003214806113
                4p
                   -1 :              -0.00000769245126
                   +0 :               0.00002159676159
                   +1 :               0.00008185851386
              8 vec=   -10.582837     -3.115418    -10.693237   |vec|=   15.363840
                3s
                   +0 :              -0.00019120270124
                3p
                   -1 :               0.00000387633418
                   +0 :               0.00001926281222
                   +1 :               0.00006199942737
                4s
                   +0 :               0.00034740501926
                5s
                   +0 :               0.00001235158554
                3d
                   -2 :              -0.00003701927894
                   -1 :              -0.00011136619515
                   +0 :               0.00006313673429
                   +1 :              -0.00000339456519
                   +2 :               0.00002721774990
                4d
                   -2 :              -0.00004092883373
                   -1 :              -0.00001762863293
                   +0 :              -0.00000439265855
                   +1 :               0.00000568762942
                   +2 :              -0.00000371396504
                4p
                   -1 :               0.00000867560845
                   +0 :              -0.00001384486028
                   +1 :              -0.00011459938565
              9 vec=     4.977489      5.868340     13.854306   |vec|=   15.847858
                3s
                   +0 :               0.00004088151836
                3p
                   -1 :              -0.00005324722608
                   +0 :              -0.00003175814241
                   +1 :               0.00003399388475
                4s
                   +0 :              -0.00020246825878
                5s
                   +0 :               0.00002255207115
                3d
                   -2 :              -0.00015174165958
                   -1 :              -0.00013288465340
                   +0 :               0.00002433307087
                   +1 :              -0.00000548084561
                   +2 :               0.00023642515016
                4d
                   -2 :               0.00004825083376
                   -1 :              -0.00002567431912
                   +0 :              -0.00001289880669
                   +1 :              -0.00003397486766
                   +2 :               0.00001867442533
                4p
                   -1 :              -0.00005050868463
                   +0 :               0.00002651666965
                   +1 :              -0.00006511927610
             10 vec=    -2.802674     -7.607297     13.854306   |vec|=   16.052032
                3s
                   +0 :              -0.00016426573159
                3p
                   -1 :               0.00003748581565
                   +0 :              -0.00008437265129
                   +1 :               0.00009073645612
                4s
                   +0 :               0.00008795885437
                5s
                   +0 :              -0.00000174111101
                3d
                   -2 :              -0.00028464660258
                   -1 :               0.00016707326907
                   +0 :               0.00017503799599
                   +1 :               0.00028411542469
                   +2 :              -0.00036301025926
                4d
                   -2 :              -0.00006353277721
                   -1 :              -0.00003118343365
                   +0 :              -0.00001431110634
                   +1 :              -0.00007734858853
                   +2 :               0.00006422892408
                4p
                   -1 :               0.00003768997519
                   +0 :               0.00009566549587
                   +1 :               0.00003628515903
             11 vec=   -10.582837      5.868340    -10.693237   |vec|=   16.148658
                3s
                   +0 :               0.00020870902745
                3p
                   -1 :               0.00001120791345
                   +0 :              -0.00009934236069
                   +1 :              -0.00008381925520
                4s
                   +0 :              -0.00038087502841
                5s
                   +0 :               0.00005601781906
                3d
                   -2 :              -0.00011630539007
                   -1 :              -0.00019634275991
                   +0 :               0.00013677525280
                   +1 :               0.00027957853371
                   +2 :               0.00008686497827
                4d
                   -2 :               0.00003831164478
                   -1 :               0.00006616946257
                   +0 :              -0.00002810905458
                   +1 :              -0.00010726440279
                   +2 :              -0.00005487860018
                4p
                   -1 :              -0.00002497935254
                   +0 :               0.00015409243082
                   +1 :               0.00015300773547
             12 vec=    12.757651      1.376461    -10.693237   |vec|=   16.703222
                3s
                   +0 :               0.00007928447169
                3p
                   -1 :              -0.00004178737306
                   +0 :              -0.00005393699488
                   +1 :               0.00002032302541
                4s
                   +0 :              -0.00025056834033
                5s
                   +0 :               0.00003488548267
                3d
                   -2 :              -0.00004376082765
                   -1 :              -0.00004392061805
                   +0 :               0.00008216206633
                   +1 :               0.00000293978826
                   +2 :              -0.00003121505063
                4d
                   -2 :               0.00002872004908
                   -1 :               0.00000648508910
                   +0 :              -0.00003904516053
                   +1 :               0.00011558305721
                   +2 :              -0.00005577922615
                4p
                   -1 :               0.00005275211173
                   +0 :               0.00016183932459
                   +1 :              -0.00011347608906
             13 vec=     4.977489    -12.099176    -10.693237   |vec|=   16.897064
                3s
                   +0 :              -0.00003071712940
                3p
                   -1 :               0.00002138886600
                   +0 :               0.00002349831155
                   +1 :               0.00001031523885
                4s
                   +0 :               0.00006292522158
                5s
                   +0 :               0.00000267081239
                3d
                   -2 :              -0.00003912897209
                   -1 :               0.00007068903985
                   +0 :               0.00004472171161
                   +1 :               0.00010110555175
                   +2 :              -0.00004835930200
                4d
                   -2 :               0.00002945989838
                   -1 :              -0.00000715489483
                   +0 :               0.00001695438668
                   +1 :               0.00000930466186
                   +2 :               0.00002045607276
                4p
                   -1 :               0.00000060779121
                   +0 :              -0.00004026472168
                   +1 :              -0.00002889348084
             14 vec=    -2.802674     10.360219     13.854306   |vec|=   17.525151
                3s
                   +0 :              -0.00008672391815
                3p
                   -1 :              -0.00010639834475
                   +0 :              -0.00005261628876
                   +1 :              -0.00002054394164
                4s
                   +0 :              -0.00011070273809
                5s
                   +0 :              -0.00001348775562
                3d
                   -2 :              -0.00005584504267
                   -1 :              -0.00043705352530
                   +0 :               0.00018801975527
                   +1 :              -0.00003224411644
                   +2 :               0.00053059500712
                4d
                   -2 :              -0.00000268737473
                   -1 :              -0.00002807804064
                   +0 :               0.00000620845799
                   +1 :              -0.00000180860785
                   +2 :               0.00005855656685
                4p
                   -1 :              -0.00013148668993
                   +0 :               0.00002007251030
                   +1 :               0.00000559266231
             15 vec=   -10.582837     -3.115418     13.854306   |vec|=   17.709998
                3s
                   +0 :              -0.00004697182500
                3p
                   -1 :               0.00001129457830
                   +0 :              -0.00001610900823
                   +1 :               0.00005772534106
                4s
                   +0 :              -0.00004175940577
                5s
                   +0 :               0.00000207525773
                3d
                   -2 :              -0.00009021062865
                   -1 :               0.00006564129985
                   +0 :               0.00006889653927
                   +1 :               0.00016892423462
                   +2 :              -0.00022131710840
                4d
                   -2 :               0.00000928119070
                   -1 :              -0.00000016372268
                   +0 :              -0.00000942363318
                   +1 :              -0.00000309146513
                   +2 :               0.00001901357403
                4p
                   -1 :               0.00001173524148
                   +0 :              -0.00000459056104
                   +1 :               0.00001170147992
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al(  4)  npairs=  13
              1 vec=    -2.802674      1.376461      6.601980   |vec|=    7.303134
                2s
                   +0 :              -0.00164036338668
                2p
                   -1 :              -0.00041779629389
                   +0 :              -0.00129000344082
                   +1 :               0.00098217028514
                3s
                   +0 :               0.00663644300274
                4s
                   +0 :              -0.00243649731955
                3p
                   -1 :               0.00012536240824
                   +0 :              -0.00033551018761
                   +1 :              -0.00131749370858
                4p
                   -1 :              -0.00019522340245
                   +0 :              -0.00173916682646
                   +1 :               0.00020892851923
                3d
                   -2 :               0.00319616521208
                   -1 :              -0.00121720721893
                   +0 :              -0.00264339180557
                   +1 :               0.00224791437242
                   +2 :              -0.00114046767114
              2 vec=     4.977489     -3.115418      6.601980   |vec|=    8.835573
                2s
                   +0 :              -0.00120331909213
                2p
                   -1 :              -0.00035033899894
                   +0 :               0.00010222034476
                   +1 :              -0.00004291339086
                3s
                   +0 :               0.01629929078149
                4s
                   +0 :              -0.00031234396461
                3p
                   -1 :              -0.00309557431945
                   +0 :               0.00810043602561
                   +1 :               0.00950650424163
                4p
                   -1 :              -0.00080694288046
                   +0 :               0.00054686366552
                   +1 :               0.00007243637716
                3d
                   -2 :              -0.00226378998500
                   -1 :              -0.00186769147670
                   +0 :               0.00063292864396
                   +1 :               0.00386788784560
                   +2 :               0.00173914959694
              3 vec=     4.977489      5.868340      6.601980   |vec|=   10.138982
                2s
                   +0 :               0.00064548464228
                2p
                   -1 :               0.00018132288062
                   +0 :               0.00038926469850
                   +1 :              -0.00075378181275
                3s
                   +0 :               0.00053128195649
                4s
                   +0 :              -0.00107689452933
                3p
                   -1 :               0.00060088500695
                   +0 :              -0.00108868419270
                   +1 :               0.00432105849578
                4p
                   -1 :              -0.00055480986972
                   +0 :              -0.00024852080143
                   +1 :              -0.00136935480040
                3d
                   -2 :               0.00134631311467
                   -1 :              -0.00011421117479
                   +0 :               0.00039270489537
                   +1 :               0.00036407732498
                   +2 :               0.00015696832855
              4 vec=    -2.802674     -7.607297      6.601980   |vec|=   10.455242
                2s
                   +0 :              -0.00048373251734
                2p
                   -1 :               0.00020391630390
                   +0 :              -0.00001220395255
                   +1 :              -0.00000209668760
                3s
                   +0 :               0.00242110759800
                4s
                   +0 :              -0.00081956352626
                3p
                   -1 :              -0.00182190967942
                   +0 :              -0.00020521704194
                   +1 :              -0.00057226632117
                4p
                   -1 :               0.00063066511601
                   +0 :               0.00006360120074
                   +1 :               0.00018127377426
                3d
                   -2 :               0.00035863162014
                   -1 :              -0.00011467769616
                   +0 :               0.00025332328718
                   +1 :               0.00003096678632
                   +2 :              -0.00023853767627
              5 vec=    -2.802674     10.360219      6.601980   |vec|=   12.600606
                2s
                   +0 :              -0.00029552598733
                2p
                   -1 :              -0.00007306578894
                   +0 :              -0.00010361460063
                   +1 :              -0.00001792699851
                3s
                   +0 :               0.00072571632428
                4s
                   +0 :              -0.00004206611897
                3p
                   -1 :              -0.00004992652999
                   +0 :               0.00068005263609
                   +1 :               0.00043729353228
                4p
                   -1 :               0.00015324677149
                   +0 :              -0.00006031986289
                   +1 :              -0.00015615625738
                3d
                   -2 :               0.00017915333103
                   -1 :               0.00018530115126
                   +0 :               0.00029280362946
                   +1 :               0.00007904241044
                   +2 :               0.00006918960314
              6 vec=   -10.582837     -3.115418      6.601980   |vec|=   12.856453
                2s
                   +0 :               0.00042664636247
                2p
                   -1 :              -0.00002407171001
                   +0 :               0.00013272685461
                   +1 :              -0.00019385551753
                3s
                   +0 :              -0.00140622820493
                4s
                   +0 :               0.00045419238155
                3p
                   -1 :               0.00004990977363
                   +0 :              -0.00059313976450
                   +1 :               0.00111648626437
                4p
                   -1 :              -0.00002770882999
                   +0 :               0.00017943636617
                   +1 :              -0.00019070344130
                3d
                   -2 :              -0.00004471542742
                   -1 :               0.00007966430779
                   +0 :               0.00005071032669
                   +1 :               0.00016381975789
                   +2 :              -0.00010967965424
              7 vec=   -10.582837      5.868340      6.601980   |vec|=   13.784774
                2s
                   +0 :               0.00013447152615
                2p
                   -1 :               0.00000879360765
                   +0 :               0.00008671473316
                   +1 :               0.00001159866530
                3s
                   +0 :              -0.00024835249617
                4s
                   +0 :               0.00016618812373
                3p
                   -1 :              -0.00003761426330
                   +0 :              -0.00050139126282
                   +1 :              -0.00020670225518
                4p
                   -1 :               0.00007607325609
                   +0 :               0.00009966749353
                   +1 :               0.00002667508702
                3d
                   -2 :              -0.00006356879610
                   -1 :              -0.00002337135593
                   +0 :               0.00002387586508
                   +1 :               0.00007361826792
                   +2 :               0.00005682065953
              8 vec=    12.757651      1.376461      6.601980   |vec|=   14.430470
                2s
                   +0 :               0.00008893405929
                2p
                   -1 :              -0.00001277011883
                   +0 :              -0.00003839356843
                   +1 :               0.00001478899505
                3s
                   +0 :              -0.00030189503251
                4s
                   +0 :               0.00013054035861
                3p
                   -1 :               0.00015484772184
                   +0 :               0.00009130006763
                   +1 :               0.00000253276529
                4p
                   -1 :              -0.00002733866594
                   +0 :               0.00004079528119
                   +1 :              -0.00002072651887
                3d
                   -2 :               0.00009991077398
                   -1 :              -0.00001896729898
                   +0 :              -0.00006754197194
                   +1 :               0.00001833751849
                   +2 :               0.00005215847228
              9 vec=     4.977489    -12.099176      6.601980   |vec|=   14.654405
                2s
                   +0 :               0.00004222688190
                2p
                   -1 :              -0.00003960537821
                   +0 :               0.00000502510588
                   +1 :              -0.00000770893329
                3s
                   +0 :              -0.00004940008084
                4s
                   +0 :              -0.00008419850188
                3p
                   -1 :               0.00018719260055
                   +0 :               0.00004930074544
                   +1 :              -0.00008831426254
                4p
                   -1 :              -0.00000142548592
                   +0 :              -0.00003417431030
                   +1 :               0.00003207114207
                3d
                   -2 :               0.00000388302000
                   -1 :              -0.00001540715199
                   +0 :               0.00001096181214
                   +1 :              -0.00001450045563
                   +2 :               0.00002712200885
             10 vec=    12.757651     -7.607297      6.601980   |vec|=   16.254684
                2s
                   +0 :              -0.00008441095197
                2p
                   -1 :               0.00001880789324
                   +0 :              -0.00004515053021
                   +1 :              -0.00000490403844
                3s
                   +0 :               0.00031208949834
                4s
                   +0 :              -0.00006380352863
                3p
                   -1 :              -0.00013263917678
                   +0 :               0.00022948770941
                   +1 :              -0.00002624857859
                4p
                   -1 :               0.00003182586979
                   +0 :              -0.00005246212203
                   +1 :               0.00004385116025
                3d
                   -2 :              -0.00001879479931
                   -1 :              -0.00001438354359
                   +0 :               0.00003913469674
                   +1 :               0.00003835158354
                   +2 :              -0.00001294599003
             11 vec=     4.977489     14.852098      6.601980   |vec|=   16.998422
                2s
                   +0 :              -0.00002157144042
                2p
                   -1 :               0.00000435415035
                   +0 :               0.00002090545952
                   +1 :              -0.00000041150883
                3s
                   +0 :               0.00000332363505
                4s
                   +0 :               0.00004635024015
                3p
                   -1 :              -0.00005920896567
                   +0 :              -0.00012439731327
                   +1 :               0.00002080667336
                4p
                   -1 :               0.00004539105536
                   +0 :               0.00003501208189
                   +1 :              -0.00000748494328
                3d
                   -2 :               0.00003936487850
                   -1 :              -0.00002655960179
                   +0 :              -0.00001880639285
                   +1 :              -0.00001058979151
                   +2 :              -0.00000098225901
             12 vec=   -10.582837    -12.099176      6.601980   |vec|=   17.377359
                2s
                   +0 :              -0.00001673219415
                2p
                   -1 :              -0.00002281458685
                   +0 :              -0.00003753145222
                   +1 :               0.00000885169693
                3s
                   +0 :               0.00010732274591
                4s
                   +0 :              -0.00001091845165
                3p
                   -1 :               0.00011394402972
                   +0 :               0.00019020640393
                   +1 :              -0.00006039482960
                4p
                   -1 :              -0.00004022400692
                   +0 :              -0.00003622036379
                   +1 :               0.00000084322424
                3d
                   -2 :              -0.00001654443258
                   -1 :              -0.00003424958935
                   +0 :               0.00003302537249
                   +1 :              -0.00002721282889
                   +2 :               0.00002972959338
             13 vec=    12.757651     10.360219      6.601980   |vec|=   17.710956
                2s
                   +0 :              -0.00002081017932
                2p
                   -1 :               0.00001536296417
                   +0 :               0.00002694789035
                   +1 :              -0.00002846481882
                3s
                   +0 :               0.00015043898995
                4s
                   +0 :              -0.00010024926477
                3p
                   -1 :              -0.00007505251240
                   +0 :              -0.00010735798188
                   +1 :               0.00020598928997
                4p
                   -1 :               0.00001266376306
                   +0 :               0.00000905175949
                   +1 :              -0.00008129422445
                3d
                   -2 :               0.00001952524731
                   -1 :              -0.00001620619577
                   +0 :               0.00002062391768
                   +1 :              -0.00003645779824
                   +2 :               0.00002276847588
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al(  5)  npairs=  14
              1 vec=     2.384101      1.376461      2.510641   |vec|=    3.725842
                2s
                   +0 :               0.02037994703288
                2p
                   -1 :               0.01524834631671
                   +0 :               0.01877992107412
                   +1 :               0.02108645709100
                3s
                   +0 :               0.08050934337095
                4s
                   +0 :               0.00619765279491
                3p
                   -1 :               0.02064663579583
                   +0 :               0.02986816999435
                   +1 :               0.04984926079941
                4p
                   -1 :               0.00942407758519
                   +0 :               0.00964150317862
                   +1 :               0.01002747625676
                3d
                   -2 :               0.03407862622261
                   -1 :               0.01980037645055
                   +0 :              -0.00909143332871
                   +1 :               0.03294756216869
                   +2 :               0.01774082809405
              2 vec=    -5.396061     -3.115418      2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00215897157893
                2p
                   -1 :               0.00138756752522
                   +0 :              -0.00053275497207
                   +1 :               0.00121761783351
                3s
                   +0 :               0.00878760848184
                4s
                   +0 :              -0.00534865329582
                3p
                   -1 :              -0.00596054368131
                   +0 :               0.00005854339824
                   +1 :              -0.00432463835011
                4p
                   -1 :               0.00244275671437
                   +0 :              -0.00156562257589
                   +1 :               0.00222390414402
                3d
                   -2 :               0.00067264824734
                   -1 :              -0.00014814269673
                   +0 :               0.00283775893179
                   +1 :              -0.00037936877495
                   +2 :               0.00064106075145
              3 vec=    -5.396061      5.868340      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00068668147439
                2p
                   -1 :               0.00028427216431
                   +0 :               0.00039201880713
                   +1 :              -0.00026424877017
                3s
                   +0 :              -0.00627326184039
                4s
                   +0 :               0.00284604786001
                3p
                   -1 :              -0.00327852644427
                   +0 :              -0.00458515993666
                   +1 :               0.00354302541176
                4p
                   -1 :               0.00155514655610
                   +0 :               0.00121917139033
                   +1 :              -0.00092309641636
                3d
                   -2 :               0.00077496695701
                   -1 :              -0.00104052432381
                   +0 :              -0.00036251522418
                   +1 :               0.00092052587663
                   +2 :              -0.00000203194785
              4 vec=     2.384101     -7.607297      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00109526265724
                2p
                   -1 :              -0.00032532960310
                   +0 :               0.00016130857935
                   +1 :              -0.00020496751997
                3s
                   +0 :              -0.00435207867772
                4s
                   +0 :               0.00213041332581
                3p
                   -1 :               0.00266326107777
                   +0 :              -0.00118268690009
                   +1 :              -0.00025334615933
                4p
                   -1 :              -0.00061881853683
                   +0 :               0.00046156661901
                   +1 :               0.00014347097553
                3d
                   -2 :              -0.00063938176998
                   -1 :               0.00025985602017
                   +0 :              -0.00014633490387
                   +1 :               0.00051081225315
                   +2 :               0.00049897768207
              5 vec=     2.384101     10.360219      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00005520352817
                2p
                   -1 :              -0.00007761456685
                   +0 :               0.00006444925074
                   +1 :              -0.00004764979883
                3s
                   +0 :               0.00069344209501
                4s
                   +0 :              -0.00041608909875
                3p
                   -1 :               0.00132635101980
                   +0 :              -0.00007830699057
                   +1 :              -0.00012212228188
                4p
                   -1 :              -0.00045196510405
                   +0 :              -0.00004818378711
                   +1 :               0.00003400687472
                3d
                   -2 :              -0.00020556795948
                   -1 :               0.00001442662503
                   +0 :              -0.00010689034407
                   +1 :               0.00010877812766
                   +2 :              -0.00019554756709
              6 vec=    10.164264     -3.115418      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00033575633100
                2p
                   -1 :              -0.00010514558699
                   +0 :              -0.00036030506749
                   +1 :               0.00030296590217
                3s
                   +0 :               0.00065372531794
                4s
                   +0 :              -0.00014909970598
                3p
                   -1 :              -0.00035068609832
                   +0 :               0.00159279513434
                   +1 :              -0.00032219665238
                4p
                   -1 :              -0.00008880476833
                   +0 :              -0.00044102727479
                   +1 :               0.00011104299256
                3d
                   -2 :              -0.00027019245630
                   -1 :               0.00015032114567
                   +0 :               0.00001187919171
                   +1 :               0.00028526518093
                   +2 :              -0.00024875569135
              7 vec=    10.164264      5.868340      2.510641   |vec|=   12.002208
                2s
                   +0 :              -0.00016805860372
                2p
                   -1 :               0.00020548007139
                   +0 :              -0.00008397257448
                   +1 :              -0.00005798838042
                3s
                   +0 :               0.00026150137709
                4s
                   +0 :               0.00034901742666
                3p
                   -1 :              -0.00122370683877
                   +0 :               0.00043729824838
                   +1 :               0.00001226920395
                4p
                   -1 :               0.00044267294818
                   +0 :              -0.00012907967000
                   +1 :               0.00030183610720
                3d
                   -2 :              -0.00018764367755
                   -1 :              -0.00002919388938
                   +0 :               0.00000744317573
                   +1 :               0.00017073887552
                   +2 :               0.00041366281453
              8 vec=   -13.176224      1.376461      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00015868909641
                2p
                   -1 :               0.00000863724047
                   +0 :               0.00007593827107
                   +1 :               0.00001158096826
                3s
                   +0 :              -0.00063630013838
                4s
                   +0 :               0.00015396255257
                3p
                   -1 :              -0.00012710978806
                   +0 :              -0.00038943991117
                   +1 :              -0.00001226095864
                4p
                   -1 :               0.00005442028176
                   +0 :               0.00002642485419
                   +1 :               0.00000200876203
                3d
                   -2 :               0.00013695566609
                   -1 :              -0.00014618333090
                   +0 :              -0.00004737716569
                   +1 :               0.00012643318519
                   +2 :               0.00023849823566
              9 vec=    -5.396061    -12.099176      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00016671892989
                2p
                   -1 :              -0.00002924231850
                   +0 :              -0.00007912974583
                   +1 :              -0.00003069183250
                3s
                   +0 :              -0.00038587373115
                4s
                   +0 :              -0.00001739206786
                3p
                   -1 :              -0.00002559735258
                   +0 :               0.00029981311968
                   +1 :               0.00005086081604
                4p
                   -1 :               0.00010035091768
                   +0 :              -0.00005398262684
                   +1 :               0.00002285823040
                3d
                   -2 :               0.00003046479587
                   -1 :              -0.00003967730431
                   +0 :              -0.00000549633377
                   +1 :              -0.00007062030703
                   +2 :               0.00001310462449
             10 vec=   -13.176224     -7.607297      2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00001459074851
                2p
                   -1 :               0.00003665515775
                   +0 :               0.00002615538631
                   +1 :               0.00003301349126
                3s
                   +0 :               0.00001925708521
                4s
                   +0 :              -0.00001633271828
                3p
                   -1 :              -0.00015666293185
                   +0 :              -0.00014491715328
                   +1 :              -0.00014370596670
                4p
                   -1 :               0.00005394690801
                   +0 :               0.00002118077487
                   +1 :               0.00003483138993
                3d
                   -2 :               0.00005349286347
                   -1 :               0.00002581176452
                   +0 :              -0.00000986705202
                   +1 :               0.00004654289655
                   +2 :               0.00003803436562
             11 vec=    -5.396061     14.852098      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00003983500851
                2p
                   -1 :               0.00003077725204
                   +0 :              -0.00001536832333
                   +1 :               0.00001545842847
                3s
                   +0 :               0.00007700103702
                4s
                   +0 :               0.00000519489331
                3p
                   -1 :               0.00001611400544
                   +0 :              -0.00006786573492
                   +1 :              -0.00006068070084
                4p
                   -1 :               0.00000218429556
                   +0 :               0.00000230090165
                   +1 :               0.00003310294618
                3d
                   -2 :               0.00002723156243
                   -1 :              -0.00003574946771
                   +0 :               0.00002331500624
                   +1 :               0.00001986320275
                   +2 :              -0.00001779476695
             12 vec=    10.164264    -12.099176      2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00004384968378
                2p
                   -1 :              -0.00002646791704
                   +0 :               0.00004010047078
                   +1 :              -0.00006399879719
                3s
                   +0 :               0.00031710451797
                4s
                   +0 :              -0.00009334890739
                3p
                   -1 :               0.00013953063942
                   +0 :              -0.00026512973589
                   +1 :               0.00046430867591
                4p
                   -1 :              -0.00002721130155
                   +0 :               0.00003132598776
                   +1 :              -0.00011144440280
                3d
                   -2 :              -0.00002871844413
                   -1 :               0.00002057373967
                   +0 :               0.00000823522977
                   +1 :              -0.00006440439924
                   +2 :               0.00006138179946
             13 vec=   -13.176224     10.360219      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00000106514450
                2p
                   -1 :              -0.00001092450507
                   +0 :               0.00000252064599
                   +1 :              -0.00001949803528
                3s
                   +0 :               0.00000330121894
                4s
                   +0 :               0.00000657736514
                3p
                   -1 :               0.00006826569387
                   +0 :              -0.00003180905093
                   +1 :               0.00009629173452
                4p
                   -1 :              -0.00003080123696
                   +0 :               0.00000254381902
                   +1 :              -0.00002576410064
                3d
                   -2 :              -0.00001871675949
                   -1 :               0.00001582463553
                   +0 :              -0.00001220955291
                   +1 :              -0.00000673533069
                   +2 :              -0.00002798799602
             14 vec=     2.384101    -16.591055      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00001046120715
                2p
                   -1 :              -0.00000267618120
                   +0 :              -0.00001276032773
                   +1 :               0.00001180874902
                3s
                   +0 :               0.00005234004966
                4s
                   +0 :              -0.00000461939836
                3p
                   -1 :               0.00002038658503
                   +0 :               0.00001232005667
                   +1 :              -0.00004037239536
                4p
                   -1 :              -0.00001052324777
                   +0 :               0.00000883727651
                   +1 :              -0.00000097213313
                3d
                   -2 :               0.00002441183312
                   -1 :              -0.00000991280266
                   +0 :               0.00001472295413
                   +1 :              -0.00000004651722
                   +2 :               0.00000628547225
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al(  6)  npairs=  13
              1 vec=     2.384101      1.376461      9.762967   |vec|=   10.143673
                2s
                   +0 :               0.00047359901001
                2p
                   -1 :               0.00024196799646
                   +0 :              -0.00020691545394
                   +1 :               0.00022870744477
                3s
                   +0 :              -0.00017096049687
                4s
                   +0 :              -0.00002236726720
                3p
                   -1 :              -0.00109853192326
                   +0 :               0.00182038912406
                   +1 :              -0.00080975641717
                4p
                   -1 :               0.00018302798626
                   +0 :              -0.00057719656843
                   +1 :               0.00001398020346
                3d
                   -2 :               0.00012149724345
                   -1 :               0.00039243200947
                   +0 :               0.00013816205876
                   +1 :               0.00047003371003
                   +2 :              -0.00017788005600
              2 vec=    -5.396061     -3.115418      9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00074801828612
                2p
                   -1 :              -0.00006197555915
                   +0 :              -0.00016493896589
                   +1 :               0.00010958682936
                3s
                   +0 :               0.00258677998806
                4s
                   +0 :              -0.00110374563601
                3p
                   -1 :               0.00035536990991
                   +0 :               0.00140250794735
                   +1 :              -0.00064360746092
                4p
                   -1 :              -0.00014487806159
                   +0 :              -0.00048006008508
                   +1 :               0.00021921328435
                3d
                   -2 :              -0.00016816365824
                   -1 :               0.00000117604636
                   +0 :               0.00028602931820
                   +1 :              -0.00009956615974
                   +2 :              -0.00014973343196
              3 vec=    -5.396061      5.868340      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00035526116997
                2p
                   -1 :               0.00021609815251
                   +0 :               0.00014023614939
                   +1 :              -0.00031282257036
                3s
                   +0 :               0.00151597532610
                4s
                   +0 :               0.00016693959820
                3p
                   -1 :               0.00010563182968
                   +0 :               0.00038029798264
                   +1 :              -0.00126345931724
                4p
                   -1 :               0.00022345976628
                   +0 :              -0.00006265879557
                   +1 :              -0.00014799938451
                3d
                   -2 :              -0.00045542215453
                   -1 :               0.00003816641988
                   +0 :              -0.00036889904201
                   +1 :              -0.00021696259728
                   +2 :               0.00045449499315
              4 vec=     2.384101     -7.607297      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00003168033497
                2p
                   -1 :              -0.00014133431449
                   +0 :               0.00005538270767
                   +1 :               0.00018868383188
                3s
                   +0 :               0.00144265237701
                4s
                   +0 :               0.00011596704708
                3p
                   -1 :              -0.00090590899195
                   +0 :               0.00033377907775
                   +1 :              -0.00067899750630
                4p
                   -1 :              -0.00020369156588
                   +0 :               0.00005291168729
                   +1 :               0.00032901924711
                3d
                   -2 :              -0.00003667740762
                   -1 :              -0.00015938016709
                   +0 :              -0.00024642810072
                   +1 :               0.00011050463606
                   +2 :              -0.00033779002119
              5 vec=     2.384101     10.360219      9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00002064257657
                2p
                   -1 :               0.00003565051180
                   +0 :              -0.00001683928525
                   +1 :               0.00018353461017
                3s
                   +0 :              -0.00014101292389
                4s
                   +0 :               0.00008181057452
                3p
                   -1 :              -0.00023282660094
                   +0 :               0.00005089088366
                   +1 :              -0.00086615007427
                4p
                   -1 :               0.00009368563149
                   +0 :              -0.00001593245887
                   +1 :               0.00015487076937
                3d
                   -2 :              -0.00017151733867
                   -1 :               0.00000419630602
                   +0 :              -0.00001189033080
                   +1 :              -0.00013616126404
                   +2 :               0.00000621070071
              6 vec=    10.164264     -3.115418      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00012748587469
                2p
                   -1 :               0.00007351860572
                   +0 :              -0.00001799083017
                   +1 :              -0.00012263388332
                3s
                   +0 :               0.00054297551131
                4s
                   +0 :              -0.00020828059017
                3p
                   -1 :              -0.00034769703604
                   +0 :               0.00005588729440
                   +1 :               0.00062463886981
                4p
                   -1 :               0.00008426365324
                   +0 :               0.00000594807095
                   +1 :              -0.00021292143642
                3d
                   -2 :              -0.00003382696375
                   -1 :              -0.00009056190132
                   +0 :              -0.00004623748093
                   +1 :               0.00004973206872
                   +2 :              -0.00004792558122
              7 vec=     2.384101      1.376461    -14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00008351378244
                2p
                   -1 :              -0.00011001667937
                   +0 :              -0.00003431972167
                   +1 :               0.00001256416831
                3s
                   +0 :              -0.00071964546276
                4s
                   +0 :               0.00019801581467
                3p
                   -1 :               0.00059605890064
                   +0 :               0.00046017535192
                   +1 :              -0.00000367498832
                4p
                   -1 :              -0.00012849929819
                   +0 :              -0.00012853744706
                   +1 :               0.00005745359329
                3d
                   -2 :              -0.00005703946572
                   -1 :              -0.00008943811119
                   +0 :              -0.00010789395261
                   +1 :              -0.00004436458893
                   +2 :              -0.00001394727396
              8 vec=    10.164264      5.868340      9.762967   |vec|=   15.266473
                2s
                   +0 :               0.00018646102893
                2p
                   -1 :               0.00007828243646
                   +0 :               0.00016746118275
                   +1 :               0.00010848039561
                3s
                   +0 :              -0.00055336212623
                4s
                   +0 :               0.00022572675477
                3p
                   -1 :              -0.00044941543774
                   +0 :              -0.00071246697922
                   +1 :              -0.00044384266789
                4p
                   -1 :               0.00017130534833
                   +0 :               0.00021902104565
                   +1 :               0.00010836516801
                3d
                   -2 :              -0.00007821472509
                   -1 :              -0.00011372654433
                   +0 :              -0.00003877224301
                   +1 :              -0.00022038143438
                   +2 :              -0.00006470387380
              9 vec=    -5.396061     -3.115418    -14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00008041757434
                2p
                   -1 :               0.00000469421847
                   +0 :               0.00003683648299
                   +1 :               0.00005396666676
                3s
                   +0 :               0.00024826931160
                4s
                   +0 :              -0.00012879462017
                3p
                   -1 :              -0.00015268242595
                   +0 :              -0.00029782785795
                   +1 :              -0.00044436693244
                4p
                   -1 :               0.00002065088377
                   +0 :               0.00010181080190
                   +1 :               0.00007901701549
                3d
                   -2 :              -0.00001327355104
                   -1 :               0.00003455864650
                   +0 :               0.00002160151846
                   +1 :               0.00011805161167
                   +2 :               0.00002348008268
             10 vec=   -13.176224      1.376461      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00006103114845
                2p
                   -1 :               0.00000577143825
                   +0 :              -0.00000404219287
                   +1 :               0.00004060186145
                3s
                   +0 :               0.00019620353918
                4s
                   +0 :              -0.00005778420078
                3p
                   -1 :              -0.00004736075053
                   +0 :               0.00002651857751
                   +1 :              -0.00013805524046
                4p
                   -1 :               0.00002377139766
                   +0 :               0.00000975045363
                   +1 :               0.00004794228699
                3d
                   -2 :              -0.00002380130095
                   -1 :               0.00002930675837
                   +0 :               0.00000679791719
                   +1 :              -0.00003182607115
                   +2 :               0.00000973185034
             11 vec=    -5.396061    -12.099176      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00008352134459
                2p
                   -1 :               0.00005229603117
                   +0 :              -0.00000342558826
                   +1 :               0.00003246587600
                3s
                   +0 :               0.00037390040100
                4s
                   +0 :              -0.00013672247097
                3p
                   -1 :              -0.00025737410383
                   +0 :              -0.00002938631668
                   +1 :              -0.00023149590408
                4p
                   -1 :               0.00008636165517
                   +0 :               0.00000709968298
                   +1 :               0.00007794827488
                3d
                   -2 :              -0.00002111736158
                   -1 :               0.00002774654457
                   +0 :              -0.00001998713849
                   +1 :              -0.00001684197297
                   +2 :              -0.00000787681153
             12 vec=    -5.396061      5.868340    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00014806000145
                2p
                   -1 :               0.00002190374895
                   +0 :              -0.00004325346290
                   +1 :               0.00001311652652
                3s
                   +0 :              -0.00059065612372
                4s
                   +0 :               0.00010298169453
                3p
                   -1 :              -0.00019731075319
                   +0 :               0.00017300827350
                   +1 :              -0.00011730506211
                4p
                   -1 :               0.00001112989685
                   +0 :              -0.00001390210309
                   +1 :               0.00003234766398
                3d
                   -2 :              -0.00005227929007
                   -1 :               0.00004308334999
                   +0 :               0.00004977767706
                   +1 :               0.00002921032965
                   +2 :               0.00010019333483
             13 vec=     2.384101     -7.607297    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00011491481695
                2p
                   -1 :              -0.00002600313337
                   +0 :              -0.00003401525849
                   +1 :               0.00001523072140
                3s
                   +0 :              -0.00060872245135
                4s
                   +0 :               0.00012563569445
                3p
                   -1 :               0.00018390064250
                   +0 :               0.00020916774836
                   +1 :              -0.00017631703409
                4p
                   -1 :              -0.00001800807505
                   +0 :              -0.00005402524601
                   +1 :               0.00001785250972
                3d
                   -2 :               0.00004639038038
                   -1 :              -0.00000151129609
                   +0 :               0.00002240803070
                   +1 :               0.00002425775659
                   +2 :              -0.00006288334552
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al(  7)  npairs=  14
              1 vec=     2.384101      1.376461     -2.510804   |vec|=    3.725953
                2s
                   +0 :              -0.02031270929969
                2p
                   -1 :              -0.01060589123311
                   +0 :               0.01875845993014
                   +1 :              -0.02370262844320
                3s
                   +0 :              -0.08082395664890
                4s
                   +0 :              -0.00616582488658
                3p
                   -1 :              -0.03302501650348
                   +0 :               0.02993870607405
                   +1 :              -0.04308926065257
                4p
                   -1 :              -0.00395645296642
                   +0 :               0.00962669344078
                   +1 :              -0.01313557937410
                3d
                   -2 :              -0.03248249533733
                   -1 :               0.01863676432116
                   +0 :               0.00919376427482
                   +1 :               0.03362933627041
                   +2 :              -0.02067784270404
              2 vec=    -5.396061     -3.115418     -2.510804   |vec|=    6.717696
                2s
                   +0 :               0.00215512542414
                2p
                   -1 :              -0.00035769709627
                   +0 :              -0.00054102394952
                   +1 :              -0.00180939936096
                3s
                   +0 :              -0.00875772384456
                4s
                   +0 :               0.00532329159327
                3p
                   -1 :               0.00072361446509
                   +0 :               0.00009447063512
                   +1 :               0.00729721141712
                4p
                   -1 :              -0.00069389348015
                   +0 :              -0.00158733296978
                   +1 :              -0.00322104949169
                3d
                   -2 :              -0.00089971971620
                   -1 :              -0.00024744237019
                   +0 :              -0.00283251978609
                   +1 :              -0.00029626911105
                   +2 :              -0.00026976249525
              3 vec=    -5.396061      5.868340     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00108974055297
                2p
                   -1 :               0.00001583815231
                   +0 :               0.00015810498832
                   +1 :               0.00037510573841
                3s
                   +0 :               0.00434673941847
                4s
                   +0 :              -0.00213770602584
                3p
                   -1 :               0.00154397967819
                   +0 :              -0.00114101423730
                   +1 :              -0.00214291109510
                4p
                   -1 :              -0.00043327062992
                   +0 :               0.00044349222542
                   +1 :               0.00045476720231
                3d
                   -2 :              -0.00010573996741
                   -1 :               0.00031849448427
                   +0 :               0.00015515526924
                   +1 :               0.00048957609074
                   +2 :               0.00080601401103
              4 vec=     2.384101     -7.607297     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00069105417702
                2p
                   -1 :               0.00037170176924
                   +0 :               0.00038740667543
                   +1 :              -0.00011004045222
                3s
                   +0 :               0.00633549655078
                4s
                   +0 :              -0.00284395117019
                3p
                   -1 :              -0.00474954365627
                   +0 :              -0.00457045922521
                   +1 :               0.00108608541295
                4p
                   -1 :               0.00158289369027
                   +0 :               0.00121886012634
                   +1 :              -0.00087814484904
                3d
                   -2 :              -0.00039474061543
                   -1 :               0.00130539708804
                   +0 :               0.00035921727069
                   +1 :              -0.00043546043837
                   +2 :              -0.00067249111394
              5 vec=     2.384101     10.360219     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00033672132738
                2p
                   -1 :              -0.00031179720126
                   +0 :              -0.00035870881231
                   +1 :              -0.00005883967195
                3s
                   +0 :              -0.00063426204338
                4s
                   +0 :               0.00015441126367
                3p
                   -1 :               0.00012781421260
                   +0 :               0.00158081035626
                   +1 :               0.00046668522065
                4p
                   -1 :              -0.00013955288683
                   +0 :              -0.00043332492417
                   +1 :               0.00001962567671
                3d
                   -2 :               0.00034813733294
                   -1 :               0.00017527206994
                   +0 :              -0.00001768797846
                   +1 :               0.00027057802239
                   +2 :               0.00010650003853
              6 vec=    10.164264     -3.115418     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00005294585116
                2p
                   -1 :               0.00000132098756
                   +0 :               0.00006569601130
                   +1 :               0.00009371395535
                3s
                   +0 :              -0.00072352088899
                4s
                   +0 :               0.00042402266517
                3p
                   -1 :               0.00076487234223
                   +0 :              -0.00008881930966
                   +1 :              -0.00110087261139
                4p
                   -1 :              -0.00025377556578
                   +0 :              -0.00004555696547
                   +1 :               0.00037882161976
                3d
                   -2 :               0.00027589471528
                   -1 :               0.00008948790803
                   +0 :               0.00010606574096
                   +1 :               0.00006344968069
                   +2 :               0.00007967590764
              7 vec=    10.164264      5.868340     -2.510804   |vec|=   12.002242
                2s
                   +0 :               0.00017207818893
                2p
                   -1 :               0.00015190993138
                   +0 :              -0.00008583730557
                   +1 :              -0.00014652558964
                3s
                   +0 :              -0.00032374704084
                4s
                   +0 :              -0.00034093122293
                3p
                   -1 :              -0.00062725968899
                   +0 :               0.00043298933234
                   +1 :               0.00103236292104
                4p
                   -1 :              -0.00003828731510
                   +0 :              -0.00012721438332
                   +1 :              -0.00053013370662
                3d
                   -2 :              -0.00026220231178
                   -1 :               0.00016368246732
                   +0 :              -0.00000545621133
                   +1 :               0.00005769008461
                   +2 :               0.00036760701519
              8 vec=   -13.176224      1.376461     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00016036861104
                2p
                   -1 :               0.00001120867920
                   +0 :              -0.00007837556096
                   +1 :               0.00004020001780
                3s
                   +0 :               0.00037665404420
                4s
                   +0 :               0.00001850251840
                3p
                   -1 :              -0.00005064655456
                   +0 :               0.00029756188971
                   +1 :              -0.00000658576940
                4p
                   -1 :               0.00003099713167
                   +0 :              -0.00005752137770
                   +1 :              -0.00009706322566
                3d
                   -2 :              -0.00002893629239
                   -1 :              -0.00004398557893
                   +0 :               0.00000683194502
                   +1 :              -0.00006727989847
                   +2 :              -0.00002216453942
              9 vec=    -5.396061    -12.099176     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00016417462895
                2p
                   -1 :              -0.00000376092459
                   +0 :               0.00007363746203
                   +1 :              -0.00001084630345
                3s
                   +0 :               0.00062630978839
                4s
                   +0 :              -0.00015574367563
                3p
                   -1 :              -0.00005205059064
                   +0 :              -0.00038929907474
                   +1 :               0.00010990274502
                4p
                   -1 :               0.00002528216886
                   +0 :               0.00002790582161
                   +1 :              -0.00004397022556
                3d
                   -2 :              -0.00027601007307
                   -1 :               0.00018178811860
                   +0 :               0.00004881525901
                   +1 :              -0.00006221057412
                   +2 :              -0.00000005392967
             10 vec=   -13.176224     -7.607297     -2.510804   |vec|=   15.420376
                2s
                   +0 :               0.00001846998322
                2p
                   -1 :              -0.00001214184586
                   +0 :               0.00002597796532
                   +1 :              -0.00004880542069
                3s
                   +0 :              -0.00003191064224
                4s
                   +0 :               0.00001955431855
                3p
                   -1 :               0.00005407913576
                   +0 :              -0.00013944360862
                   +1 :               0.00021351901407
                4p
                   -1 :              -0.00000460608840
                   +0 :               0.00002010440669
                   +1 :              -0.00006603983568
                3d
                   -2 :              -0.00005981950254
                   -1 :               0.00002706261007
                   +0 :               0.00001126888663
                   +1 :               0.00004477077146
                   +2 :              -0.00002829470898
             11 vec=    -5.396061     14.852098     -2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00004791759637
                2p
                   -1 :               0.00004221629598
                   +0 :               0.00004003284248
                   +1 :               0.00005392535734
                3s
                   +0 :              -0.00034498241151
                4s
                   +0 :               0.00009871291389
                3p
                   -1 :              -0.00034015704401
                   +0 :              -0.00025987150865
                   +1 :              -0.00034598357057
                4p
                   -1 :               0.00008401985493
                   +0 :               0.00003065641259
                   +1 :               0.00007851783135
                3d
                   -2 :              -0.00003728072447
                   -1 :              -0.00006616286600
                   +0 :              -0.00000748368074
                   +1 :              -0.00001451449180
                   +2 :               0.00005547894238
             12 vec=    10.164264    -12.099176     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00003838675738
                2p
                   -1 :               0.00000172524365
                   +0 :              -0.00001608273164
                   +1 :              -0.00003494038515
                3s
                   +0 :              -0.00009227696745
                4s
                   +0 :              -0.00000537230676
                3p
                   -1 :               0.00006977441881
                   +0 :              -0.00006649079085
                   +1 :               0.00001132258058
                4p
                   -1 :              -0.00002767767963
                   +0 :               0.00000280905040
                   +1 :              -0.00001972154466
                3d
                   -2 :               0.00000378137909
                   -1 :               0.00003607398566
                   +0 :              -0.00002342703959
                   +1 :              -0.00001988059439
                   +2 :              -0.00003212360806
             13 vec=   -13.176224     10.360219     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00001285418690
                2p
                   -1 :              -0.00001175581864
                   +0 :              -0.00001131110770
                   +1 :              -0.00000469002909
                3s
                   +0 :              -0.00006418051235
                4s
                   +0 :               0.00000581201859
                3p
                   -1 :               0.00004599053737
                   +0 :               0.00000794894891
                   +1 :               0.00000768131179
                4p
                   -1 :              -0.00000530366055
                   +0 :               0.00000857876936
                   +1 :               0.00000917121303
                3d
                   -2 :              -0.00001678531282
                   -1 :               0.00000290572459
                   +0 :              -0.00001550445531
                   +1 :              -0.00000695431741
                   +2 :              -0.00001632252497
             14 vec=     2.384101    -16.591055     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00000205404072
                2p
                   -1 :               0.00001086902508
                   +0 :               0.00000307212719
                   +1 :               0.00002150564348
                3s
                   +0 :              -0.00000078192704
                4s
                   +0 :              -0.00000530998386
                3p
                   -1 :              -0.00005277115800
                   +0 :              -0.00003596917356
                   +1 :              -0.00011921461379
                4p
                   -1 :               0.00000699099400
                   +0 :               0.00000322766390
                   +1 :               0.00004094075629
                3d
                   -2 :               0.00003437248457
                   -1 :              -0.00001216508773
                   +0 :               0.00001174722764
                   +1 :               0.00000939558628
                   +2 :               0.00000177090803
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al(  8)  npairs=  13
              1 vec=     2.384101      1.376461     -9.763130   |vec|=   10.143831
                2s
                   +0 :              -0.00049021154723
                2p
                   -1 :              -0.00007489728940
                   +0 :              -0.00018236247682
                   +1 :              -0.00035805025992
                3s
                   +0 :               0.00013064605495
                4s
                   +0 :              -0.00004105077653
                3p
                   -1 :               0.00019976048088
                   +0 :               0.00157605701736
                   +1 :               0.00172095610189
                4p
                   -1 :               0.00005530614700
                   +0 :              -0.00055914888677
                   +1 :              -0.00028927972779
                3d
                   -2 :               0.00006770863330
                   -1 :               0.00023513464283
                   +0 :              -0.00015667057393
                   +1 :               0.00053124027929
                   +2 :              -0.00008276087034
              2 vec=    -5.396061     -3.115418     -9.763130   |vec|=   11.581970
                2s
                   +0 :               0.00072048549665
                2p
                   -1 :              -0.00014057823316
                   +0 :              -0.00018970549699
                   +1 :              -0.00000125903254
                3s
                   +0 :              -0.00257542498352
                4s
                   +0 :               0.00110705768662
                3p
                   -1 :               0.00069294739314
                   +0 :               0.00134188340077
                   +1 :               0.00002190883757
                4p
                   -1 :              -0.00021076735223
                   +0 :              -0.00047166893523
                   +1 :               0.00001918896323
                3d
                   -2 :               0.00025596717554
                   -1 :              -0.00006604453485
                   +0 :              -0.00025415183617
                   +1 :              -0.00005995381931
                   +2 :               0.00008053619179
              3 vec=    -5.396061      5.868340     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00007589212797
                2p
                   -1 :              -0.00023979237690
                   +0 :               0.00008547451830
                   +1 :               0.00003694365749
                3s
                   +0 :              -0.00157925389392
                4s
                   +0 :              -0.00001336754005
                3p
                   -1 :              -0.00004199202154
                   +0 :              -0.00002668753168
                   +1 :               0.00122850878236
                4p
                   -1 :              -0.00026876469129
                   +0 :               0.00014491559287
                   +1 :              -0.00006260488840
                3d
                   -2 :               0.00031159306960
                   -1 :               0.00014393679582
                   +0 :               0.00022169119968
                   +1 :              -0.00007625193684
                   +2 :              -0.00017302617717
              4 vec=     2.384101     -7.607297     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00033009097888
                2p
                   -1 :               0.00038774956815
                   +0 :               0.00013989123685
                   +1 :              -0.00002665630283
                3s
                   +0 :              -0.00196802041473
                4s
                   +0 :              -0.00007839491894
                3p
                   -1 :               0.00119225699452
                   +0 :               0.00027090446028
                   +1 :               0.00047618118807
                4p
                   -1 :               0.00024116199136
                   +0 :              -0.00004729656333
                   +1 :              -0.00006304218731
                3d
                   -2 :              -0.00015511109992
                   -1 :              -0.00022960366580
                   +0 :               0.00032860662740
                   +1 :              -0.00003174411119
                   +2 :               0.00061546541440
              5 vec=     2.384101     10.360219     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00016738271388
                2p
                   -1 :               0.00014304692754
                   +0 :              -0.00001695289345
                   +1 :              -0.00001009197730
                3s
                   +0 :              -0.00063782923177
                4s
                   +0 :               0.00019910769746
                3p
                   -1 :              -0.00068974894493
                   +0 :               0.00008978318683
                   +1 :               0.00005794315008
                4p
                   -1 :               0.00019929239426
                   +0 :              -0.00001621982633
                   +1 :               0.00002144985372
                3d
                   -2 :               0.00006829302831
                   -1 :               0.00007725831584
                   +0 :               0.00003675313384
                   +1 :              -0.00005864376167
                   +2 :               0.00001819106204
              6 vec=    10.164264     -3.115418     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00000353725944
                2p
                   -1 :              -0.00013797921243
                   +0 :              -0.00001699415096
                   +1 :              -0.00011707329058
                3s
                   +0 :              -0.00001319578278
                4s
                   +0 :              -0.00005152604405
                3p
                   -1 :               0.00057140147642
                   +0 :               0.00006584296960
                   +1 :               0.00058340042833
                4p
                   -1 :              -0.00006494986933
                   +0 :              -0.00001458848360
                   +1 :              -0.00014568051664
                3d
                   -2 :               0.00006642289748
                   -1 :              -0.00009471174752
                   +0 :               0.00000762383851
                   +1 :              -0.00007959510769
                   +2 :               0.00016433867562
              7 vec=     2.384101      1.376461     14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00000801494611
                2p
                   -1 :              -0.00008294988809
                   +0 :               0.00001160131557
                   +1 :               0.00009298694904
                3s
                   +0 :               0.00033581266528
                4s
                   +0 :              -0.00009851712334
                3p
                   -1 :               0.00036433547286
                   +0 :               0.00011725566288
                   +1 :              -0.00058220444376
                4p
                   -1 :              -0.00011788127959
                   +0 :              -0.00006857289401
                   +1 :               0.00012418853196
                3d
                   -2 :              -0.00001097080698
                   -1 :               0.00000919214187
                   +0 :               0.00003957473606
                   +1 :              -0.00009961740305
                   +2 :               0.00002640589603
              8 vec=    10.164264      5.868340     -9.763130   |vec|=   15.266578
                2s
                   +0 :              -0.00018925303589
                2p
                   -1 :              -0.00004865730065
                   +0 :               0.00014662344822
                   +1 :              -0.00010678826437
                3s
                   +0 :               0.00053864643333
                4s
                   +0 :              -0.00019252272003
                3p
                   -1 :               0.00012967457754
                   +0 :              -0.00062060404373
                   +1 :               0.00041508348564
                4p
                   -1 :               0.00000408634143
                   +0 :               0.00020259530345
                   +1 :              -0.00014900043405
                3d
                   -2 :               0.00008738102644
                   -1 :              -0.00017773754219
                   +0 :               0.00007395037932
                   +1 :              -0.00022122956536
                   +2 :              -0.00002819350238
              9 vec=    -5.396061     -3.115418     14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00004450026682
                2p
                   -1 :              -0.00001942322999
                   +0 :              -0.00001326049140
                   +1 :               0.00001423123223
                3s
                   +0 :               0.00020674193082
                4s
                   +0 :              -0.00001424560906
                3p
                   -1 :               0.00015112424367
                   +0 :              -0.00003311187717
                   +1 :               0.00011631972674
                4p
                   -1 :              -0.00003995503628
                   +0 :               0.00003628694453
                   +1 :              -0.00004148298136
                3d
                   -2 :               0.00001493816455
                   -1 :               0.00004479780408
                   +0 :               0.00000543018282
                   +1 :               0.00003048086518
                   +2 :              -0.00001094044836
             10 vec=   -13.176224      1.376461     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00007599786113
                2p
                   -1 :               0.00000908987036
                   +0 :              -0.00000853660453
                   +1 :              -0.00005820692064
                3s
                   +0 :              -0.00029390599577
                4s
                   +0 :               0.00009147388056
                3p
                   -1 :              -0.00000458759055
                   +0 :               0.00002082431464
                   +1 :               0.00028128040584
                4p
                   -1 :              -0.00000907896167
                   +0 :              -0.00000304588286
                   +1 :              -0.00008398179982
                3d
                   -2 :               0.00002514630034
                   -1 :              -0.00003206083583
                   +0 :               0.00001971631638
                   +1 :               0.00000733914549
                   +2 :               0.00000621934632
             11 vec=    -5.396061    -12.099176     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00008869892772
                2p
                   -1 :              -0.00004262759764
                   +0 :              -0.00001290527883
                   +1 :              -0.00003013120011
                3s
                   +0 :              -0.00024630098937
                4s
                   +0 :               0.00006470213960
                3p
                   -1 :               0.00016749833722
                   +0 :               0.00006400860573
                   +1 :               0.00012986264390
                4p
                   -1 :              -0.00003196501542
                   +0 :              -0.00000772353083
                   +1 :              -0.00003896471069
                3d
                   -2 :              -0.00002560422557
                   -1 :              -0.00000729210838
                   +0 :               0.00002002503516
                   +1 :              -0.00000887576316
                   +2 :               0.00003772126770
             12 vec=    -5.396061      5.868340     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00003724098848
                2p
                   -1 :               0.00000717349397
                   +0 :               0.00000556687060
                   +1 :               0.00000734628567
                3s
                   +0 :               0.00047472671920
                4s
                   +0 :              -0.00010729280650
                3p
                   -1 :               0.00009372881030
                   +0 :               0.00002788201303
                   +1 :              -0.00005489578680
                4p
                   -1 :              -0.00002005229645
                   +0 :              -0.00002515241022
                   +1 :               0.00000744578999
                3d
                   -2 :               0.00007767088280
                   -1 :               0.00001157726952
                   +0 :              -0.00006048071778
                   +1 :               0.00003460091717
                   +2 :              -0.00004366669022
             13 vec=     2.384101     -7.607297     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00011106157646
                2p
                   -1 :               0.00001957874108
                   +0 :              -0.00002380327995
                   +1 :               0.00003879273707
                3s
                   +0 :               0.00066479700839
                4s
                   +0 :              -0.00018360861116
                3p
                   -1 :              -0.00021069603181
                   +0 :               0.00015382142651
                   +1 :               0.00003953393769
                4p
                   -1 :               0.00005696545653
                   +0 :              -0.00004141779927
                   +1 :               0.00003212249470
                3d
                   -2 :              -0.00012089559987
                   -1 :              -0.00001824061756
                   +0 :              -0.00004730185682
                   +1 :               0.00002432711702
                   +2 :               0.00001972765989
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al(  9)  npairs=  15
              1 vec=    -0.209286     -3.115418     10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00083567707256
                2p
                   -1 :              -0.00043447000028
                   +0 :               0.00044055193685
                   +1 :              -0.00008737840915
                3s
                   +0 :              -0.00103518306123
                4s
                   +0 :               0.00032043572721
                3p
                   -1 :               0.00291754877944
                   +0 :              -0.00073882955821
                   +1 :              -0.00019090586746
                4p
                   -1 :              -0.00057477787911
                   +0 :               0.00018829779560
                   +1 :               0.00015396567222
                3d
                   -2 :               0.00003125264889
                   -1 :               0.00033315257471
                   +0 :               0.00016809514275
                   +1 :              -0.00003676772976
                   +2 :               0.00018610082565
              2 vec=    -0.209286      5.868340     10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00006841014299
                2p
                   -1 :               0.00005333122114
                   +0 :               0.00008685632545
                   +1 :              -0.00009694462717
                3s
                   +0 :               0.00043553734039
                4s
                   +0 :              -0.00014914777833
                3p
                   -1 :               0.00000966468392
                   +0 :              -0.00037791861321
                   +1 :               0.00086445742614
                4p
                   -1 :               0.00003363061684
                   +0 :               0.00000669782980
                   +1 :              -0.00002306381391
                3d
                   -2 :               0.00024901533019
                   -1 :              -0.00021371023213
                   +0 :              -0.00040252382647
                   +1 :               0.00023490609156
                   +2 :               0.00042416684457
              3 vec=     7.570876      1.376461     10.693319   |vec|=   13.174213
                2s
                   +0 :              -0.00028206805678
                2p
                   -1 :               0.00015338248901
                   +0 :              -0.00002343771942
                   +1 :               0.00003573687554
                3s
                   +0 :               0.00234647517053
                4s
                   +0 :              -0.00034299029800
                3p
                   -1 :              -0.00031788664995
                   +0 :               0.00119184888993
                   +1 :               0.00095419406067
                4p
                   -1 :               0.00021594795661
                   +0 :              -0.00008009037774
                   +1 :              -0.00006539099739
                3d
                   -2 :               0.00013781641104
                   -1 :               0.00002907237794
                   +0 :               0.00018276287562
                   +1 :               0.00031690409169
                   +2 :               0.00012456107741
              4 vec=    -7.989449      1.376461     10.693319   |vec|=   13.419128
                2s
                   +0 :              -0.00023554015728
                2p
                   -1 :              -0.00001153781885
                   +0 :               0.00001128679577
                   +1 :               0.00001519217284
                3s
                   +0 :               0.00257923676595
                4s
                   +0 :              -0.00047398089246
                3p
                   -1 :               0.00068423591864
                   +0 :               0.00112352032636
                   +1 :              -0.00135802553224
                4p
                   -1 :               0.00001981412439
                   +0 :              -0.00008816308860
                   +1 :               0.00015651076425
                3d
                   -2 :              -0.00030559925150
                   -1 :               0.00030833161384
                   +0 :               0.00023730714842
                   +1 :              -0.00040833392207
                   +2 :               0.00021550079951
              5 vec=    -0.209286     -3.115418    -13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00001423314894
                2p
                   -1 :               0.00008659758362
                   +0 :              -0.00001041224706
                   +1 :              -0.00007631044393
                3s
                   +0 :              -0.00024601229863
                4s
                   +0 :               0.00004471332434
                3p
                   -1 :              -0.00048901261180
                   +0 :               0.00001832526484
                   +1 :               0.00033319223360
                4p
                   -1 :               0.00013020815345
                   +0 :               0.00001791947803
                   +1 :              -0.00004304040739
                3d
                   -2 :              -0.00001298096815
                   -1 :               0.00000153947537
                   +0 :               0.00001064076632
                   +1 :              -0.00004794194964
                   +2 :               0.00004765727683
              6 vec=    -0.209286      5.868340    -13.854224   |vec|=   15.047283
                2s
                   +0 :               0.00009798754572
                2p
                   -1 :               0.00012444396902
                   +0 :               0.00000234567894
                   +1 :               0.00002937532602
                3s
                   +0 :              -0.00036199792062
                4s
                   +0 :               0.00007880812843
                3p
                   -1 :              -0.00038613674827
                   +0 :              -0.00005527144925
                   +1 :              -0.00022707487264
                4p
                   -1 :               0.00007592566541
                   +0 :              -0.00000394287652
                   +1 :               0.00011002988596
                3d
                   -2 :              -0.00001614473788
                   -1 :               0.00000276814069
                   +0 :               0.00007471500124
                   +1 :               0.00000067587689
                   +2 :               0.00007113070809
              7 vec=     7.570876     -7.607297     10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00002907701233
                2p
                   -1 :              -0.00004380526798
                   +0 :               0.00002201503301
                   +1 :              -0.00002837607105
                3s
                   +0 :               0.00004213867308
                4s
                   +0 :               0.00001738518212
                3p
                   -1 :               0.00027012592893
                   +0 :              -0.00018910161447
                   +1 :               0.00005598372018
                4p
                   -1 :              -0.00006044284125
                   +0 :               0.00004349771196
                   +1 :               0.00001441037902
                3d
                   -2 :               0.00003533693370
                   -1 :               0.00002274585551
                   +0 :               0.00003975282819
                   +1 :              -0.00004340624802
                   +2 :               0.00001877253177
              8 vec=    -7.989449     -7.607297     10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00010225720061
                2p
                   -1 :               0.00004200697354
                   +0 :               0.00000372306422
                   +1 :              -0.00000528892481
                3s
                   +0 :               0.00030615901461
                4s
                   +0 :               0.00001536438631
                3p
                   -1 :              -0.00023147625856
                   +0 :              -0.00010977715767
                   +1 :               0.00009012316369
                4p
                   -1 :               0.00002543670033
                   +0 :               0.00007230022550
                   +1 :              -0.00005106454769
                3d
                   -2 :              -0.00001777649137
                   -1 :               0.00000729813929
                   +0 :              -0.00001072095828
                   +1 :               0.00000512734930
                   +2 :              -0.00005924874315
              9 vec=     7.570876      1.376461    -13.854224   |vec|=   15.847786
                2s
                   +0 :               0.00008830050976
                2p
                   -1 :               0.00003179599563
                   +0 :              -0.00001552484733
                   +1 :               0.00002673140747
                3s
                   +0 :              -0.00047452428195
                4s
                   +0 :               0.00015344781450
                3p
                   -1 :              -0.00008155103212
                   +0 :               0.00022354629290
                   +1 :              -0.00034347567870
                4p
                   -1 :               0.00002679500611
                   +0 :              -0.00008724209552
                   +1 :               0.00004500396414
                3d
                   -2 :               0.00000803018113
                   -1 :               0.00005033209048
                   +0 :              -0.00002959109944
                   +1 :               0.00004358190157
                   +2 :              -0.00003145561380
             10 vec=    -7.989449      1.376461    -13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00003681613873
                2p
                   -1 :              -0.00002836036728
                   +0 :              -0.00000498320073
                   +1 :              -0.00000426127984
                3s
                   +0 :              -0.00042514063281
                4s
                   +0 :               0.00011446125518
                3p
                   -1 :               0.00020098221906
                   +0 :               0.00017375936300
                   +1 :               0.00018846163264
                4p
                   -1 :               0.00001331332600
                   +0 :              -0.00007941309712
                   +1 :              -0.00001597369728
                3d
                   -2 :              -0.00006362953441
                   -1 :               0.00002436139195
                   +0 :               0.00001322489748
                   +1 :               0.00004395899913
                   +2 :              -0.00002345896007
             11 vec=    -0.209286    -12.099176     10.693319   |vec|=   16.148712
                2s
                   +0 :               0.00022292351479
                2p
                   -1 :              -0.00008876822340
                   +0 :               0.00008280366014
                   +1 :              -0.00000206570781
                3s
                   +0 :              -0.00076747225400
                4s
                   +0 :               0.00032641087909
                3p
                   -1 :               0.00042618187052
                   +0 :              -0.00036929553964
                   +1 :              -0.00000816344306
                4p
                   -1 :              -0.00011005210624
                   +0 :               0.00014791831916
                   +1 :               0.00001054659168
                3d
                   -2 :              -0.00000457249574
                   -1 :               0.00006008777170
                   +0 :              -0.00002486593180
                   +1 :               0.00001065089793
                   +2 :               0.00003832974624
             12 vec=     7.570876     10.360219     10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00006838411153
                2p
                   -1 :               0.00003675336895
                   +0 :               0.00004681282355
                   +1 :               0.00001373225174
                3s
                   +0 :              -0.00031918337368
                4s
                   +0 :               0.00010335511444
                3p
                   -1 :              -0.00025182917420
                   +0 :              -0.00033044839430
                   +1 :              -0.00018873218611
                4p
                   -1 :               0.00004043582231
                   +0 :               0.00007337499994
                   +1 :               0.00004860314355
                3d
                   -2 :              -0.00003313855940
                   -1 :              -0.00007445257169
                   +0 :              -0.00004669749512
                   +1 :              -0.00004246837135
                   +2 :               0.00006094136014
             13 vec=    -7.989449     10.360219     10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00003311232493
                2p
                   -1 :               0.00001054059117
                   +0 :              -0.00000756011888
                   +1 :              -0.00000164944915
                3s
                   +0 :               0.00009270980630
                4s
                   +0 :              -0.00000658972567
                3p
                   -1 :              -0.00012200521445
                   +0 :               0.00004092514417
                   +1 :               0.00006164337138
                4p
                   -1 :               0.00004453180153
                   +0 :               0.00000371412803
                   +1 :              -0.00001775784304
                3d
                   -2 :               0.00002642930498
                   -1 :              -0.00002214768869
                   +0 :               0.00001765101093
                   +1 :              -0.00001738570797
                   +2 :              -0.00000340801390
             14 vec=     7.570876     -7.607297    -13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00000465003362
                2p
                   -1 :               0.00000906859999
                   +0 :               0.00000877544356
                   +1 :              -0.00001122108111
                3s
                   +0 :              -0.00030615907169
                4s
                   +0 :               0.00002703808534
                3p
                   -1 :               0.00008794835571
                   +0 :               0.00005339313406
                   +1 :              -0.00018298022093
                4p
                   -1 :               0.00000777578546
                   +0 :              -0.00000706489457
                   +1 :              -0.00000279455967
                3d
                   -2 :               0.00007060210830
                   -1 :              -0.00001535092436
                   +0 :               0.00005545517715
                   +1 :               0.00003295880947
                   +2 :              -0.00002692726759
             15 vec=    -7.989449     -7.607297    -13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00002929910392
                2p
                   -1 :              -0.00000058834791
                   +0 :              -0.00001361567615
                   +1 :              -0.00000699394673
                3s
                   +0 :              -0.00023910237305
                4s
                   +0 :               0.00003981436840
                3p
                   -1 :               0.00012979051882
                   +0 :               0.00010547345856
                   +1 :               0.00006824255932
                4p
                   -1 :              -0.00000306643054
                   +0 :              -0.00003261077797
                   +1 :              -0.00000335809568
                3d
                   -2 :              -0.00002667240710
                   -1 :              -0.00001755274777
                   +0 :               0.00002208598066
                   +1 :              -0.00000488824959
                   +2 :               0.00002802383347
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al( 10)  npairs=  13
              1 vec=    -0.209286     -3.115418     -6.601898   |vec|=    7.303060
                2s
                   +0 :               0.00162617234649
                2p
                   -1 :              -0.00105744522454
                   +0 :              -0.00127573416115
                   +1 :              -0.00008324771119
                3s
                   +0 :              -0.00627987977275
                4s
                   +0 :               0.00242610930316
                3p
                   -1 :               0.00134161670169
                   +0 :              -0.00041814154508
                   +1 :               0.00051791446659
                4p
                   -1 :              -0.00029694388024
                   +0 :              -0.00172226499808
                   +1 :               0.00011583532555
                3d
                   -2 :              -0.00059666695799
                   -1 :               0.00258573743758
                   +0 :               0.00260372937232
                   +1 :               0.00011049405141
                   +2 :              -0.00328361523388
              2 vec=    -0.209286      5.868340     -6.601898   |vec|=    8.835512
                2s
                   +0 :               0.00124595554520
                2p
                   -1 :              -0.00009225702668
                   +0 :               0.00011074352400
                   +1 :               0.00032707686917
                3s
                   +0 :              -0.01612930985468
                4s
                   +0 :               0.00036427907784
                3p
                   -1 :              -0.00984408086223
                   +0 :               0.00817403805353
                   +1 :              -0.00211590147358
                4p
                   -1 :              -0.00040149908211
                   +0 :               0.00052692159895
                   +1 :               0.00066492875688
                3d
                   -2 :              -0.00044922622302
                   -1 :               0.00430317247181
                   +0 :              -0.00067480325132
                   +1 :               0.00032167380957
                   +2 :               0.00284072279081
              3 vec=     7.570876      1.376461     -6.601898   |vec|=   10.138928
                2s
                   +0 :              -0.00062954492437
                2p
                   -1 :               0.00073097321810
                   +0 :               0.00038277008859
                   +1 :               0.00020767172396
                3s
                   +0 :              -0.00080756838541
                4s
                   +0 :               0.00106577437037
                3p
                   -1 :              -0.00335473143898
                   +0 :              -0.00112820689023
                   +1 :              -0.00272519099629
                4p
                   -1 :               0.00089193637309
                   +0 :              -0.00025878410115
                   +1 :               0.00114553542080
                3d
                   -2 :              -0.00082547828812
                   -1 :               0.00033908481394
                   +0 :              -0.00038366326433
                   +1 :               0.00003909897428
                   +2 :              -0.00110633078252
              4 vec=    -7.989449      1.376461     -6.601898   |vec|=   10.455190
                2s
                   +0 :               0.00038116911413
                2p
                   -1 :               0.00008084736253
                   +0 :              -0.00002873319261
                   +1 :              -0.00013283266019
                3s
                   +0 :              -0.00211448655842
                4s
                   +0 :               0.00072836573424
                3p
                   -1 :              -0.00036977759155
                   +0 :              -0.00016188489091
                   +1 :               0.00165771625411
                4p
                   -1 :               0.00014622974766
                   +0 :               0.00006775442923
                   +1 :              -0.00059319574938
                3d
                   -2 :               0.00003562420006
                   -1 :               0.00012027592532
                   +0 :              -0.00026276758061
                   +1 :              -0.00013516916515
                   +2 :              -0.00040278172897
              5 vec=     7.570876     -7.607297     -6.601898   |vec|=   12.600563
                2s
                   +0 :               0.00027629534710
                2p
                   -1 :              -0.00000517951102
                   +0 :              -0.00011385801363
                   +1 :               0.00006924013319
                3s
                   +0 :              -0.00076159214856
                4s
                   +0 :               0.00002873170771
                3p
                   -1 :              -0.00042305300472
                   +0 :               0.00071172832366
                   +1 :              -0.00011724740790
                4p
                   -1 :               0.00022494465609
                   +0 :              -0.00007004256410
                   +1 :              -0.00005273708456
                3d
                   -2 :              -0.00018353128632
                   -1 :              -0.00003423101204
                   +0 :              -0.00027532898611
                   +1 :               0.00021667242508
                   +2 :              -0.00010450682629
              6 vec=    -7.989449     -7.607297     -6.601898   |vec|=   12.856411
                2s
                   +0 :              -0.00044126359155
                2p
                   -1 :               0.00016604635037
                   +0 :               0.00012880703184
                   +1 :               0.00013211490147
                3s
                   +0 :               0.00142528210754
                4s
                   +0 :              -0.00047814061504
                3p
                   -1 :              -0.00102114628920
                   +0 :              -0.00057235542441
                   +1 :              -0.00064956499775
                4p
                   -1 :               0.00016788796380
                   +0 :               0.00017675481936
                   +1 :               0.00014010464884
                3d
                   -2 :               0.00012748037443
                   -1 :               0.00010745070986
                   +0 :              -0.00004225226369
                   +1 :               0.00013523808044
                   +2 :              -0.00001392884150
              7 vec=    -0.209286    -12.099176     -6.601898   |vec|=   13.784734
                2s
                   +0 :              -0.00008053491075
                2p
                   -1 :              -0.00003863553934
                   +0 :               0.00009358980976
                   +1 :              -0.00002557653296
                3s
                   +0 :               0.00006000292686
                4s
                   +0 :              -0.00012252038439
                3p
                   -1 :               0.00032860694436
                   +0 :              -0.00049633664429
                   +1 :               0.00022234887791
                4p
                   -1 :              -0.00001715973382
                   +0 :               0.00009561697605
                   +1 :              -0.00009921584724
                3d
                   -2 :              -0.00001828750700
                   -1 :               0.00007232069523
                   +0 :              -0.00000449552233
                   +1 :               0.00002161396236
                   +2 :               0.00010772325609
              8 vec=     7.570876     10.360219     -6.601898   |vec|=   14.430432
                2s
                   +0 :              -0.00007662637278
                2p
                   -1 :              -0.00002540884641
                   +0 :              -0.00003633454086
                   +1 :               0.00000431643476
                3s
                   +0 :               0.00023010146021
                4s
                   +0 :              -0.00012150203869
                3p
                   -1 :               0.00010853713279
                   +0 :               0.00009843088684
                   +1 :              -0.00018342724353
                4p
                   -1 :              -0.00000232505855
                   +0 :               0.00004472891305
                   +1 :               0.00003915966234
                3d
                   -2 :              -0.00008925076209
                   -1 :               0.00003061832421
                   +0 :               0.00007396174112
                   +1 :               0.00000375200676
                   +2 :              -0.00007145054040
              9 vec=    -7.989449     10.360219     -6.601898   |vec|=   14.654368
                2s
                   +0 :              -0.00004939085961
                2p
                   -1 :              -0.00001468876174
                   +0 :               0.00000114284239
                   +1 :               0.00003305723800
                3s
                   +0 :               0.00004380685216
                4s
                   +0 :               0.00008476617009
                3p
                   -1 :               0.00014111226374
                   +0 :               0.00005711852372
                   +1 :              -0.00009349769633
                4p
                   -1 :              -0.00001782523103
                   +0 :              -0.00003110602678
                   +1 :              -0.00002561404971
                3d
                   -2 :              -0.00004833634976
                   -1 :              -0.00000350312523
                   +0 :              -0.00000598837818
                   +1 :              -0.00003004362763
                   +2 :               0.00001295495261
             10 vec=    -0.209286     14.852098     -6.601898   |vec|=   16.254651
                2s
                   +0 :               0.00009008175851
                2p
                   -1 :               0.00002174854869
                   +0 :              -0.00004409977802
                   +1 :              -0.00001234901011
                3s
                   +0 :              -0.00032481042888
                4s
                   +0 :               0.00006880037649
                3p
                   -1 :              -0.00007667204040
                   +0 :               0.00022317944677
                   +1 :               0.00013117853618
                4p
                   -1 :              -0.00001332018342
                   +0 :              -0.00005411191932
                   +1 :              -0.00004910489468
                3d
                   -2 :               0.00001586557930
                   -1 :               0.00003390975328
                   +0 :              -0.00003868555089
                   +1 :               0.00001038911396
                   +2 :               0.00001515187111
             11 vec=    15.351039     -3.115418     -6.601898   |vec|=   16.998390
                2s
                   +0 :               0.00002261260402
                2p
                   -1 :               0.00000056969123
                   +0 :               0.00001991017405
                   +1 :               0.00000188965427
                3s
                   +0 :              -0.00001022220964
                4s
                   +0 :              -0.00004733950000
                3p
                   -1 :              -0.00005472673188
                   +0 :              -0.00012472471270
                   +1 :               0.00000540917072
                4p
                   -1 :               0.00002929765680
                   +0 :               0.00003398941499
                   +1 :              -0.00002772404431
                3d
                   -2 :              -0.00000877453088
                   -1 :               0.00000346227533
                   +0 :               0.00001833105247
                   +1 :              -0.00003543010093
                   +2 :              -0.00003325084696
             12 vec=   -15.769612     -3.115418     -6.601898   |vec|=   17.377328
                2s
                   +0 :               0.00001408619880
                2p
                   -1 :              -0.00002263397657
                   +0 :              -0.00003766495790
                   +1 :               0.00001177404062
                3s
                   +0 :              -0.00008723827100
                4s
                   +0 :               0.00001042335640
                3p
                   -1 :               0.00013196567824
                   +0 :               0.00019410329700
                   +1 :              -0.00005814487217
                4p
                   -1 :              -0.00002621183114
                   +0 :              -0.00003651132279
                   +1 :               0.00002775995218
                3d
                   -2 :              -0.00002408628835
                   -1 :              -0.00000280293332
                   +0 :              -0.00003439734272
                   +1 :              -0.00004122960091
                   +2 :               0.00002416333858
             13 vec=    15.351039      5.868340     -6.601898   |vec|=   17.710925
                2s
                   +0 :               0.00002204365181
                2p
                   -1 :               0.00003278673368
                   +0 :               0.00002743592302
                   +1 :               0.00000014682366
                3s
                   +0 :              -0.00015923803809
                4s
                   +0 :               0.00010354657084
                3p
                   -1 :              -0.00021148103693
                   +0 :              -0.00010152357986
                   +1 :              -0.00003642280525
                4p
                   -1 :               0.00007837405573
                   +0 :               0.00000849081959
                   +1 :               0.00003204360427
                3d
                   -2 :              -0.00002937510253
                   -1 :              -0.00002085051059
                   +0 :              -0.00001755741321
                   +1 :              -0.00002981620937
                   +2 :               0.00000077658533
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al( 11)  npairs=  14
              1 vec=    -0.209286     -3.115418      5.671873   |vec|=    6.474548
                2s
                   +0 :              -0.00461962850193
                2p
                   -1 :               0.00224604371052
                   +0 :              -0.00285203077077
                   +1 :               0.00039731444915
                3s
                   +0 :               0.01159560862778
                4s
                   +0 :              -0.00747989777101
                3p
                   -1 :              -0.00772494801976
                   +0 :               0.01197638576877
                   +1 :              -0.00066730179559
                4p
                   -1 :               0.00391390893835
                   +0 :              -0.00554414669982
                   +1 :               0.00018676659426
                3d
                   -2 :              -0.00055305565522
                   -1 :              -0.00091658745103
                   +0 :               0.00204841323126
                   +1 :               0.00004169717523
                   +2 :               0.00138053755984
              2 vec=    -0.209286      5.868340      5.671873   |vec|=    8.164029
                2s
                   +0 :               0.00133895987967
                2p
                   -1 :               0.00123551651237
                   +0 :               0.00048383156487
                   +1 :              -0.00020697786058
                3s
                   +0 :               0.00969180221030
                4s
                   +0 :               0.00150277060435
                3p
                   -1 :               0.00668479386298
                   +0 :               0.00032857710027
                   +1 :               0.00460126267432
                4p
                   -1 :               0.00152743266786
                   +0 :               0.00040401952364
                   +1 :              -0.00111897257045
                3d
                   -2 :               0.00148744609828
                   -1 :               0.00053364014574
                   +0 :              -0.00210996604473
                   +1 :               0.00042929125103
                   +2 :              -0.00319964678570
              3 vec=     7.570876      1.376461      5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00046169713760
                2p
                   -1 :              -0.00100075237186
                   +0 :               0.00011540705756
                   +1 :              -0.00038943255645
                3s
                   +0 :              -0.00079740852670
                4s
                   +0 :               0.00017288869482
                3p
                   -1 :               0.00464908328735
                   +0 :              -0.00064674304704
                   +1 :               0.00151883964873
                4p
                   -1 :              -0.00099433677053
                   +0 :               0.00026388347912
                   +1 :              -0.00036703383624
                3d
                   -2 :               0.00034464881275
                   -1 :               0.00070652136671
                   +0 :               0.00018772350592
                   +1 :               0.00062516781829
                   +2 :               0.00099253850620
              4 vec=    -7.989449      1.376461      5.671873   |vec|=    9.894245
                2s
                   +0 :              -0.00005207118156
                2p
                   -1 :               0.00001506042831
                   +0 :              -0.00036575954448
                   +1 :              -0.00031920324894
                3s
                   +0 :               0.00002217084746
                4s
                   +0 :               0.00016815919933
                3p
                   -1 :               0.00005746302514
                   +0 :               0.00230738353957
                   +1 :               0.00152840226775
                4p
                   -1 :               0.00017114732295
                   +0 :              -0.00063062710452
                   +1 :              -0.00071349816503
                3d
                   -2 :              -0.00042672702987
                   -1 :               0.00007332376203
                   +0 :               0.00021765578605
                   +1 :              -0.00041162439332
                   +2 :              -0.00009474111872
              5 vec=     7.570876     -7.607297      5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00038827155913
                2p
                   -1 :              -0.00004311678509
                   +0 :               0.00015045084526
                   +1 :               0.00025890081787
                3s
                   +0 :              -0.00071013972539
                4s
                   +0 :               0.00040109614473
                3p
                   -1 :               0.00046840526421
                   +0 :               0.00003159820561
                   +1 :              -0.00091349410463
                4p
                   -1 :              -0.00008616179391
                   +0 :               0.00011502520281
                   +1 :               0.00031970205945
                3d
                   -2 :               0.00012920180977
                   -1 :               0.00001964346509
                   +0 :               0.00025295877284
                   +1 :               0.00005150147426
                   +2 :               0.00003845348312
              6 vec=    -7.989449     -7.607297      5.671873   |vec|=   12.404532
                2s
                   +0 :               0.00048910368999
                2p
                   -1 :              -0.00013859921447
                   +0 :               0.00018739794869
                   +1 :              -0.00026208521123
                3s
                   +0 :              -0.00130530177592
                4s
                   +0 :               0.00025710385092
                3p
                   -1 :               0.00073788657420
                   +0 :              -0.00069534941612
                   +1 :               0.00115405560721
                4p
                   -1 :               0.00000004606026
                   +0 :               0.00013807049271
                   +1 :              -0.00020836187859
                3d
                   -2 :              -0.00038518693549
                   -1 :               0.00029132008367
                   +0 :               0.00011063654824
                   +1 :               0.00033462052338
                   +2 :              -0.00009616653229
              7 vec=    -0.209286    -12.099176      5.671873   |vec|=   13.364281
                2s
                   +0 :              -0.00017936945936
                2p
                   -1 :               0.00011809237640
                   +0 :              -0.00002268534683
                   +1 :              -0.00008661584798
                3s
                   +0 :               0.00094597673604
                4s
                   +0 :              -0.00022988667360
                3p
                   -1 :              -0.00074008623906
                   +0 :              -0.00002940340523
                   +1 :               0.00042158317936
                4p
                   -1 :               0.00017027012464
                   +0 :               0.00006900576032
                   +1 :              -0.00008853864188
                3d
                   -2 :              -0.00018907236664
                   -1 :              -0.00003418198806
                   +0 :               0.00003127204744
                   +1 :               0.00004925034982
                   +2 :              -0.00006576139463
              8 vec=     7.570876     10.360219      5.671873   |vec|=   14.029343
                2s
                   +0 :               0.00042145595356
                2p
                   -1 :               0.00030599209099
                   +0 :               0.00005229557828
                   +1 :              -0.00003215470854
                3s
                   +0 :              -0.00104951069115
                4s
                   +0 :               0.00022223446883
                3p
                   -1 :              -0.00116681650819
                   +0 :              -0.00022996119376
                   +1 :               0.00031913378230
                4p
                   -1 :               0.00015310224014
                   +0 :               0.00005646020595
                   +1 :              -0.00013211174121
                3d
                   -2 :              -0.00004279530864
                   -1 :              -0.00018133591042
                   +0 :               0.00010151996969
                   +1 :               0.00000185844188
                   +2 :               0.00024853383337
              9 vec=    -7.989449     10.360219      5.671873   |vec|=   14.259579
                2s
                   +0 :               0.00000904606950
                2p
                   -1 :              -0.00000661666855
                   +0 :               0.00001531055228
                   +1 :               0.00006890887683
                3s
                   +0 :              -0.00005161872252
                4s
                   +0 :               0.00009247225845
                3p
                   -1 :              -0.00006133876859
                   +0 :              -0.00022258139144
                   +1 :              -0.00035121759116
                4p
                   -1 :               0.00003860449207
                   +0 :               0.00007367359972
                   +1 :               0.00002511097992
                3d
                   -2 :              -0.00013571468154
                   -1 :              -0.00001390101753
                   +0 :               0.00001764645640
                   +1 :              -0.00005555553916
                   +2 :              -0.00001570836872
             10 vec=    -0.209286     14.852098      5.671873   |vec|=   15.899647
                2s
                   +0 :               0.00007779059360
                2p
                   -1 :               0.00001491646804
                   +0 :              -0.00000237867737
                   +1 :              -0.00000754504696
                3s
                   +0 :              -0.00018872494131
                4s
                   +0 :               0.00005341002853
                3p
                   -1 :              -0.00004170837192
                   +0 :               0.00001095419757
                   +1 :              -0.00003645216180
                4p
                   -1 :               0.00000236193801
                   +0 :              -0.00002109596658
                   +1 :               0.00001503677799
                3d
                   -2 :              -0.00001664320711
                   -1 :              -0.00002927809243
                   +0 :              -0.00002468249941
                   +1 :              -0.00001634535155
                   +2 :               0.00001212428064
             11 vec=    15.351039     -3.115418      5.671873   |vec|=   16.659243
                2s
                   +0 :              -0.00004692172986
                2p
                   -1 :               0.00002016762242
                   +0 :              -0.00000003894503
                   +1 :               0.00001526150811
                3s
                   +0 :               0.00024875377609
                4s
                   +0 :              -0.00003486526613
                3p
                   -1 :              -0.00020029419839
                   +0 :               0.00008612374489
                   +1 :              -0.00004322112740
                4p
                   -1 :               0.00004290109650
                   +0 :              -0.00001282371103
                   +1 :               0.00003070477656
                3d
                   -2 :              -0.00001869982607
                   -1 :              -0.00006670439627
                   +0 :               0.00000798324156
                   +1 :               0.00000480013413
                   +2 :              -0.00004360289099
             12 vec=   -15.769612     -3.115418      5.671873   |vec|=   17.045722
                2s
                   +0 :               0.00003177331394
                2p
                   -1 :              -0.00002059735187
                   +0 :               0.00000917866701
                   +1 :              -0.00004364826516
                3s
                   +0 :               0.00000752426617
                4s
                   +0 :               0.00005474303640
                3p
                   -1 :               0.00001552810005
                   +0 :               0.00005574150902
                   +1 :               0.00016561827250
                4p
                   -1 :              -0.00001337259858
                   +0 :              -0.00000505431496
                   +1 :              -0.00006327437077
                3d
                   -2 :              -0.00001007086758
                   -1 :              -0.00000546881493
                   +0 :               0.00002782847081
                   +1 :               0.00000998899123
                   +2 :              -0.00004891745134
             13 vec=    15.351039      5.868340      5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00000328790084
                2p
                   -1 :              -0.00002532980801
                   +0 :               0.00000354735051
                   +1 :              -0.00001819600569
                3s
                   +0 :               0.00008105646890
                4s
                   +0 :              -0.00006470566480
                3p
                   -1 :               0.00016720966386
                   +0 :               0.00004046357343
                   +1 :               0.00014941401167
                4p
                   -1 :              -0.00005264724609
                   +0 :              -0.00003091381739
                   +1 :              -0.00007189280614
                3d
                   -2 :               0.00005391004773
                   -1 :               0.00001403880319
                   +0 :               0.00002716418028
                   +1 :               0.00001523462346
                   +2 :              -0.00000862248099
             14 vec=   -15.769612      5.868340      5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00001073714300
                2p
                   -1 :               0.00001882830097
                   +0 :               0.00000022663605
                   +1 :              -0.00001622167097
                3s
                   +0 :              -0.00003374386627
                4s
                   +0 :               0.00003122457398
                3p
                   -1 :              -0.00010574866056
                   +0 :              -0.00002115358938
                   +1 :               0.00008032870287
                4p
                   -1 :               0.00003967201810
                   +0 :               0.00001361095766
                   +1 :              -0.00002401386814
                3d
                   -2 :               0.00001385219643
                   -1 :              -0.00000546603198
                   +0 :               0.00000278440507
                   +1 :               0.00001995671414
                   +2 :              -0.00000947917963
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site Al( 12)  npairs=  14
              1 vec=    -0.209286     -3.115418     -1.580453   |vec|=    3.499637
                2s
                   +0 :              -0.02249877285903
                2p
                   -1 :               0.02220140189284
                   +0 :               0.00425558376278
                   +1 :               0.00036074679760
                3s
                   +0 :              -0.03272881499088
                4s
                   +0 :              -0.00939954434462
                3p
                   -1 :               0.05808015497588
                   +0 :              -0.01448172490772
                   +1 :               0.00733894274194
                4p
                   -1 :               0.00948875940642
                   +0 :               0.00308805030834
                   +1 :              -0.00177505168640
                3d
                   -2 :              -0.00377477559175
                   -1 :              -0.00132377328172
                   +0 :               0.03079190382859
                   +1 :               0.00080080731828
                   +2 :               0.03739072111792
              2 vec=    -0.209286      5.868340     -1.580453   |vec|=    6.081040
                2s
                   +0 :               0.00176297076766
                2p
                   -1 :               0.00145347993115
                   +0 :               0.00035516456698
                   +1 :              -0.00008639996022
                3s
                   +0 :              -0.00372296558067
                4s
                   +0 :               0.00357190224486
                3p
                   -1 :              -0.00576913867223
                   +0 :               0.00141411716000
                   +1 :              -0.00250945666531
                4p
                   -1 :               0.00204071767978
                   +0 :               0.00049608397210
                   +1 :               0.00049890357422
                3d
                   -2 :              -0.00090429749297
                   -1 :               0.00168457572339
                   +0 :              -0.00016705958353
                   +1 :              -0.00006818728900
                   +2 :               0.00253626750540
              3 vec=     7.570876      1.376461     -1.580453   |vec|=    7.855612
                2s
                   +0 :              -0.00017768007597
                2p
                   -1 :              -0.00077090682561
                   +0 :              -0.00020700075427
                   +1 :               0.00007946076587
                3s
                   +0 :               0.00580178252953
                4s
                   +0 :              -0.00090152612264
                3p
                   -1 :               0.00633513614497
                   +0 :               0.00145734447896
                   +1 :               0.00523794534825
                4p
                   -1 :              -0.00112978734717
                   +0 :              -0.00105138892751
                   +1 :              -0.00030314704938
                3d
                   -2 :               0.00215229975931
                   -1 :              -0.00064664131276
                   +0 :              -0.00115724268638
                   +1 :              -0.00049441882948
                   +2 :               0.00018810351245
              4 vec=    -7.989449      1.376461     -1.580453   |vec|=    8.259768
                2s
                   +0 :               0.00048264648239
                2p
                   -1 :              -0.00039931724335
                   +0 :               0.00020847835167
                   +1 :              -0.00089782814755
                3s
                   +0 :              -0.00205518292699
                4s
                   +0 :               0.00080368698989
                3p
                   -1 :               0.00237752277490
                   +0 :              -0.00092107029110
                   +1 :               0.00376734865082
                4p
                   -1 :              -0.00075713691986
                   +0 :               0.00023883262167
                   +1 :              -0.00121300740277
                3d
                   -2 :              -0.00040346002960
                   -1 :              -0.00076607027159
                   +0 :              -0.00002433762763
                   +1 :              -0.00018954690646
                   +2 :              -0.00073035523317
              5 vec=     7.570876     -7.607297     -1.580453   |vec|=   10.848362
                2s
                   +0 :              -0.00011335684518
                2p
                   -1 :               0.00003422451782
                   +0 :               0.00009492224428
                   +1 :               0.00003376264424
                3s
                   +0 :              -0.00051881376756
                4s
                   +0 :               0.00008702634802
                3p
                   -1 :               0.00024311728885
                   +0 :              -0.00127428088648
                   +1 :              -0.00104868986125
                4p
                   -1 :              -0.00014275212700
                   +0 :               0.00016975978356
                   +1 :               0.00029818926088
                3d
                   -2 :               0.00008450684514
                   -1 :               0.00028091587902
                   +0 :              -0.00017227781928
                   +1 :              -0.00014635567674
                   +2 :              -0.00013292717048
              6 vec=    -7.989449     -7.607297     -1.580453   |vec|=   11.144509
                2s
                   +0 :              -0.00000591707547
                2p
                   -1 :               0.00002564358499
                   +0 :              -0.00000149136957
                   +1 :              -0.00004800682987
                3s
                   +0 :              -0.00108413039168
                4s
                   +0 :               0.00034619595221
                3p
                   -1 :               0.00028940246208
                   +0 :              -0.00057377825827
                   +1 :               0.00081228396868
                4p
                   -1 :              -0.00013762636742
                   +0 :               0.00007555450348
                   +1 :              -0.00022107987708
                3d
                   -2 :               0.00001171207403
                   -1 :               0.00000778491959
                   +0 :              -0.00025666092589
                   +1 :               0.00026621135197
                   +2 :              -0.00026205936890
              7 vec=    -0.209286    -12.099176     -1.580453   |vec|=   12.203757
                2s
                   +0 :               0.00017223263441
                2p
                   -1 :              -0.00008408997008
                   +0 :              -0.00022378576380
                   +1 :              -0.00009141847354
                3s
                   +0 :              -0.00043688343010
                4s
                   +0 :              -0.00003700033095
                3p
                   -1 :               0.00036358744577
                   +0 :               0.00103334690090
                   +1 :               0.00047257638885
                4p
                   -1 :               0.00002010322079
                   +0 :              -0.00025167855507
                   +1 :              -0.00006735154880
                3d
                   -2 :              -0.00009045988710
                   -1 :              -0.00010940691846
                   +0 :              -0.00006206717751
                   +1 :              -0.00006154778088
                   +2 :               0.00006049800440
              8 vec=     7.570876     10.360219     -1.580453   |vec|=   12.928656
                2s
                   +0 :               0.00006535122300
                2p
                   -1 :               0.00005958201654
                   +0 :               0.00021339185096
                   +1 :              -0.00019027293035
                3s
                   +0 :              -0.00048606945672
                4s
                   +0 :               0.00027782299967
                3p
                   -1 :              -0.00037781143844
                   +0 :              -0.00093517658532
                   +1 :               0.00085751880987
                4p
                   -1 :               0.00016611069601
                   +0 :               0.00022500261881
                   +1 :              -0.00017688024496
                3d
                   -2 :               0.00029836782617
                   -1 :              -0.00018737550663
                   +0 :              -0.00010268879386
                   +1 :              -0.00008867836395
                   +2 :               0.00008865003234
              9 vec=    -7.989449     10.360219     -1.580453   |vec|=   13.178136
                2s
                   +0 :              -0.00022213874410
                2p
                   -1 :              -0.00004794958630
                   +0 :               0.00001122103762
                   +1 :               0.00014833080961
                3s
                   +0 :               0.00053938845872
                4s
                   +0 :              -0.00025142093492
                3p
                   -1 :               0.00019611049331
                   +0 :               0.00025777183564
                   +1 :              -0.00059524184324
                4p
                   -1 :              -0.00002401153708
                   +0 :              -0.00004504800604
                   +1 :               0.00017283643633
                3d
                   -2 :              -0.00006020275834
                   -1 :              -0.00004247413977
                   +0 :              -0.00009192257257
                   +1 :               0.00000122679522
                   +2 :               0.00005103541183
             10 vec=    -0.209286     14.852098     -1.580453   |vec|=   14.937418
                2s
                   +0 :              -0.00004671361816
                2p
                   -1 :              -0.00000358704087
                   +0 :               0.00001827336556
                   +1 :               0.00001196562663
                3s
                   +0 :               0.00018047679870
                4s
                   +0 :              -0.00008059416999
                3p
                   -1 :               0.00012046934274
                   +0 :               0.00002547555138
                   +1 :              -0.00010814274155
                4p
                   -1 :              -0.00005186313119
                   +0 :              -0.00001419883097
                   +1 :               0.00004764167151
                3d
                   -2 :              -0.00005381722978
                   -1 :               0.00005611177760
                   +0 :              -0.00005737771400
                   +1 :               0.00000200616908
                   +2 :              -0.00000545526075
             11 vec=    15.351039     -3.115418     -1.580453   |vec|=   15.743508
                2s
                   +0 :               0.00001242532424
                2p
                   -1 :               0.00003433440324
                   +0 :              -0.00000943115792
                   +1 :               0.00000305186232
                3s
                   +0 :              -0.00007291319383
                4s
                   +0 :               0.00003704242908
                3p
                   -1 :              -0.00018083569713
                   +0 :              -0.00006454559461
                   +1 :              -0.00003280415119
                4p
                   -1 :               0.00006934007513
                   +0 :               0.00004898491228
                   +1 :               0.00002226797485
                3d
                   -2 :              -0.00001522303946
                   -1 :              -0.00000785959883
                   +0 :              -0.00000501832242
                   +1 :              -0.00001516664387
                   +2 :               0.00005642217602
             12 vec=   -15.769612     -3.115418     -1.580453   |vec|=   16.151913
                2s
                   +0 :               0.00001005620890
                2p
                   -1 :              -0.00000610518069
                   +0 :               0.00001141035976
                   +1 :               0.00000398779772
                3s
                   +0 :              -0.00008516864314
                4s
                   +0 :               0.00002284878449
                3p
                   -1 :               0.00008067214059
                   +0 :              -0.00008575429827
                   +1 :               0.00000451425645
                4p
                   -1 :              -0.00001719818731
                   +0 :               0.00000243008891
                   +1 :              -0.00000236068362
                3d
                   -2 :              -0.00001926537161
                   -1 :               0.00000537149518
                   +0 :              -0.00003534148542
                   +1 :               0.00001756090221
                   +2 :              -0.00000824603825
             13 vec=    15.351039      5.868340     -1.580453   |vec|=   16.510289
                2s
                   +0 :              -0.00002420203650
                2p
                   -1 :              -0.00001952848758
                   +0 :               0.00000194962766
                   +1 :              -0.00001685631703
                3s
                   +0 :               0.00019243675648
                4s
                   +0 :              -0.00012209627733
                3p
                   -1 :               0.00010444795254
                   +0 :               0.00000076863665
                   +1 :               0.00019934458329
                4p
                   -1 :              -0.00002117830347
                   +0 :              -0.00000206291319
                   +1 :              -0.00009390630898
                3d
                   -2 :               0.00003012462397
                   -1 :               0.00001240198726
                   +0 :               0.00002014465303
                   +1 :              -0.00000929354598
                   +2 :               0.00001658164345
             14 vec=   -15.769612      5.868340     -1.580453   |vec|=   16.900175
                2s
                   +0 :               0.00002267204143
                2p
                   -1 :               0.00000489296697
                   +0 :               0.00001247475876
                   +1 :               0.00002627440289
                3s
                   +0 :              -0.00013731794832
                4s
                   +0 :               0.00005391405165
                3p
                   -1 :              -0.00005313967743
                   +0 :              -0.00005286399736
                   +1 :              -0.00010425352223
                4p
                   -1 :               0.00002418730801
                   +0 :               0.00000766178733
                   +1 :               0.00001911279444
                3d
                   -2 :              -0.00002326159838
                   -1 :               0.00002380995326
                   +0 :              -0.00001959244542
                   +1 :               0.00001570425572
                   +2 :               0.00002910956851
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 13)  npairs=  14
              1 vec=    -0.418832      0.000150     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00039781878098
                2s
                   +0 :              -0.00053186068718
                3s
                   +0 :               0.00142583360171
                2p
                   -1 :              -0.00220561834064
                   +0 :               0.00364731485560
                   +1 :               0.00024486734008
                3p
                   -1 :               0.00124481344974
                   +0 :              -0.00354665870033
                   +1 :              -0.00017518212343
                3d
                   -2 :               0.00013210978351
                   -1 :               0.00015538384317
                   +0 :               0.00075728241196
                   +1 :              -0.00002848287578
                   +2 :              -0.00008558027672
              2 vec=     7.361331     -4.491729     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00003658050216
                2s
                   +0 :              -0.00000466474560
                3s
                   +0 :              -0.00013452573114
                2p
                   -1 :               0.00015608945894
                   +0 :               0.00035675444230
                   +1 :              -0.00075425644842
                3p
                   -1 :               0.00002272083879
                   +0 :              -0.00037112930900
                   +1 :               0.00037365392371
                3d
                   -2 :               0.00001486765838
                   -1 :              -0.00002944257992
                   +0 :               0.00003683907035
                   +1 :              -0.00004297521451
                   +2 :               0.00004018076709
              3 vec=     7.361331      4.492029     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00026163676293
                2s
                   +0 :               0.00112217916227
                3s
                   +0 :              -0.00091330161127
                2p
                   -1 :              -0.00028575335264
                   +0 :              -0.00110989135968
                   +1 :              -0.00127718078088
                3p
                   -1 :              -0.00003392714850
                   +0 :               0.00085401884428
                   +1 :               0.00080999229923
                3d
                   -2 :               0.00003253511100
                   -1 :              -0.00004591259393
                   +0 :              -0.00006085855158
                   +1 :              -0.00001003420872
                   +2 :               0.00003341186270
              4 vec=    -0.418832     -8.983608     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00002182952902
                2s
                   +0 :              -0.00036790644450
                3s
                   +0 :              -0.00018634037964
                2p
                   -1 :              -0.00005340977522
                   +0 :              -0.00037095572548
                   +1 :               0.00034159365202
                3p
                   -1 :               0.00039324497249
                   +0 :               0.00001322038804
                   +1 :              -0.00019524547047
                3d
                   -2 :               0.00001805258863
                   -1 :              -0.00000431095409
                   +0 :               0.00002888242295
                   +1 :              -0.00000486144350
                   +2 :               0.00002104870609
              5 vec=    -0.418832      8.983908     -8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00006866168780
                2s
                   +0 :              -0.00050875102489
                3s
                   +0 :               0.00029118285819
                2p
                   -1 :              -0.00076544005471
                   +0 :              -0.00022566339417
                   +1 :               0.00030742014234
                3p
                   -1 :               0.00032534435689
                   +0 :               0.00009764843217
                   +1 :              -0.00026171064833
                3d
                   -2 :               0.00000912587327
                   -1 :              -0.00001862832667
                   +0 :              -0.00002649532473
                   +1 :               0.00000777671837
                   +2 :              -0.00003741852876
              6 vec=    -8.198995     -4.491729     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00002421216827
                2s
                   +0 :              -0.00025277654644
                3s
                   +0 :               0.00006842559897
                2p
                   -1 :               0.00069464278731
                   +0 :              -0.00038959105868
                   +1 :               0.00051258681880
                3p
                   -1 :              -0.00049276761840
                   +0 :               0.00044635085571
                   +1 :              -0.00020553907180
                3d
                   -2 :               0.00002832659063
                   -1 :              -0.00001917544139
                   +0 :              -0.00006306555214
                   +1 :               0.00000168536555
                   +2 :               0.00002292907924
              7 vec=    -8.198995      4.492029     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00001943514646
                2s
                   +0 :              -0.00057317118557
                3s
                   +0 :               0.00006530950578
                2p
                   -1 :              -0.00053582260493
                   +0 :               0.00055334411452
                   +1 :               0.00071630281617
                3p
                   -1 :               0.00029848253102
                   +0 :              -0.00050863961367
                   +1 :              -0.00022194561207
                3d
                   -2 :              -0.00000538410432
                   -1 :              -0.00000408528672
                   +0 :               0.00001018743633
                   +1 :               0.00001047084952
                   +2 :              -0.00003188763209
              8 vec=    -0.418832      0.000150     16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000252489096
                2s
                   +0 :               0.00000722153252
                3s
                   +0 :               0.00003485732359
                2p
                   -1 :               0.00010119146994
                   +0 :               0.00001753194990
                   +1 :              -0.00000457926146
                3p
                   -1 :              -0.00012013481678
                   +0 :               0.00002490483549
                   +1 :               0.00000227534564
                3d
                   -2 :               0.00000679055588
                   -1 :              -0.00000530263413
                   +0 :               0.00000651229996
                   +1 :              -0.00000197792597
                   +2 :              -0.00000611650267
              9 vec=    15.141493      0.000150     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00000413927237
                2s
                   +0 :               0.00003069074369
                3s
                   +0 :              -0.00003586405534
                2p
                   -1 :              -0.00004741553331
                   +0 :               0.00008482133974
                   +1 :              -0.00007932841025
                3p
                   -1 :               0.00004187828182
                   +0 :              -0.00004351187366
                   +1 :               0.00003885152404
                3d
                   -2 :               0.00000120043973
                   -1 :              -0.00000405924813
                   +0 :               0.00000647141726
                   +1 :               0.00000036744767
                   +2 :              -0.00000070493342
             10 vec=     7.361331    -13.475487     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000805612318
                2s
                   +0 :              -0.00007829190587
                3s
                   +0 :               0.00000974954437
                2p
                   -1 :               0.00010804093345
                   +0 :               0.00005190067568
                   +1 :              -0.00004601892479
                3p
                   -1 :              -0.00002974670883
                   +0 :               0.00000841371719
                   +1 :               0.00003401148707
                3d
                   -2 :              -0.00000455221448
                   -1 :              -0.00000513074175
                   +0 :              -0.00000202591986
                   +1 :              -0.00000001330082
                   +2 :               0.00000486980411
             11 vec=     7.361331     13.475787     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000565850749
                2s
                   +0 :              -0.00007487999380
                3s
                   +0 :               0.00000324969256
                2p
                   -1 :               0.00003388425057
                   +0 :               0.00005952791981
                   +1 :              -0.00007371291682
                3p
                   -1 :              -0.00005893354136
                   +0 :              -0.00000878303247
                   +1 :               0.00002578944870
                3d
                   -2 :              -0.00000262528752
                   -1 :               0.00000602603374
                   +0 :               0.00000555863359
                   +1 :               0.00000317099803
                   +2 :               0.00000364247190
             12 vec=    -8.198995    -13.475487     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000225876939
                2s
                   +0 :              -0.00000706648454
                3s
                   +0 :              -0.00002554002079
                2p
                   -1 :               0.00000804694459
                   +0 :               0.00003962700137
                   +1 :               0.00001860800487
                3p
                   -1 :               0.00004224282396
                   +0 :               0.00000815214193
                   +1 :              -0.00000986660024
                3d
                   -2 :               0.00000141503140
                   -1 :              -0.00000795923113
                   +0 :              -0.00000400008131
                   +1 :               0.00000007959376
                   +2 :               0.00000633855349
             13 vec=    -8.198995     13.475787     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000980948942
                2s
                   +0 :              -0.00006547741270
                3s
                   +0 :               0.00001365811520
                2p
                   -1 :              -0.00002520023504
                   +0 :               0.00005088824244
                   +1 :               0.00003342569580
                3p
                   -1 :               0.00000052670972
                   +0 :               0.00002049569987
                   +1 :               0.00001693853423
                3d
                   -2 :              -0.00000153818221
                   -1 :              -0.00000182856378
                   +0 :              -0.00000181375901
                   +1 :              -0.00000039499442
                   +2 :               0.00000043961206
             14 vec=   -15.979157      0.000150     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000246078484
                2s
                   +0 :              -0.00000621426071
                3s
                   +0 :              -0.00000955654619
                2p
                   -1 :              -0.00003275760409
                   +0 :               0.00006192632129
                   +1 :               0.00002248600334
                3p
                   -1 :               0.00001919741921
                   +0 :              -0.00004016223801
                   +1 :               0.00001314123861
                3d
                   -2 :               0.00000179432904
                   -1 :              -0.00000205201172
                   +0 :               0.00000191048594
                   +1 :               0.00000112491792
                   +2 :               0.00000197878201
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 14)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00016063166327
                2s
                   +0 :              -0.00131590401644
                3s
                   +0 :              -0.00013482883060
                2p
                   -1 :              -0.00215679384287
                   +0 :               0.00046515296328
                   +1 :              -0.00039180937672
                3p
                   -1 :               0.00058052404346
                   +0 :               0.00108665616263
                   +1 :               0.00130156150660
                3d
                   -2 :               0.00006041212598
                   -1 :               0.00013739157825
                   +0 :              -0.00005861263082
                   +1 :              -0.00022032774289
                   +2 :               0.00001942748237
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00054099779890
                2s
                   +0 :              -0.00519180906817
                3s
                   +0 :               0.00083627870859
                2p
                   -1 :               0.00435120981786
                   +0 :               0.00768914604242
                   +1 :               0.00062711336399
                3p
                   -1 :              -0.00067805868097
                   +0 :              -0.00135207857406
                   +1 :              -0.00037724580146
                3d
                   -2 :              -0.00006339143151
                   -1 :              -0.00031032318967
                   +0 :              -0.00015234683366
                   +1 :              -0.00001981839567
                   +2 :               0.00019658431910
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00023252016588
                2s
                   +0 :              -0.00226164796279
                3s
                   +0 :               0.00036643495489
                2p
                   -1 :              -0.00047336973846
                   +0 :               0.00304400648934
                   +1 :              -0.00305028563213
                3p
                   -1 :               0.00002957306639
                   +0 :              -0.00066158179058
                   +1 :               0.00003645660061
                3d
                   -2 :              -0.00002024953014
                   -1 :              -0.00000366168142
                   +0 :               0.00001652476998
                   +1 :               0.00014427418464
                   +2 :              -0.00009009765974
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00000119702238
                2s
                   +0 :              -0.00027795465212
                3s
                   +0 :              -0.00000841856036
                2p
                   -1 :              -0.00020325253195
                   +0 :              -0.00037717915359
                   +1 :               0.00028771577068
                3p
                   -1 :               0.00021065043837
                   +0 :               0.00015626132271
                   +1 :              -0.00011554302416
                3d
                   -2 :              -0.00001947594700
                   -1 :              -0.00000304110220
                   +0 :               0.00002785765012
                   +1 :               0.00002526563387
                   +2 :               0.00001249414198
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000841041359
                2s
                   +0 :              -0.00012173360358
                3s
                   +0 :              -0.00007158486878
                2p
                   -1 :              -0.00019694037595
                   +0 :              -0.00040964111664
                   +1 :              -0.00006016548321
                3p
                   -1 :               0.00010346448791
                   +0 :               0.00034044471755
                   +1 :              -0.00003103151857
                3d
                   -2 :              -0.00000789946374
                   -1 :              -0.00000889702959
                   +0 :              -0.00002981177716
                   +1 :              -0.00002342671771
                   +2 :              -0.00000351208130
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000280944082
                2s
                   +0 :              -0.00019113139055
                3s
                   +0 :              -0.00001221658413
                2p
                   -1 :              -0.00036960433755
                   +0 :              -0.00043792582545
                   +1 :              -0.00032968015113
                3p
                   -1 :               0.00051187587141
                   +0 :               0.00018847080001
                   +1 :               0.00019503191943
                3d
                   -2 :               0.00000467252506
                   -1 :              -0.00001876124246
                   +0 :              -0.00003297643625
                   +1 :              -0.00001730022656
                   +2 :               0.00003482553377
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000721937980
                2s
                   +0 :              -0.00008434499599
                3s
                   +0 :               0.00001741012029
                2p
                   -1 :              -0.00003825424515
                   +0 :               0.00001114422550
                   +1 :               0.00023069316629
                3p
                   -1 :               0.00003053058551
                   +0 :               0.00000739729574
                   +1 :              -0.00016916730219
                3d
                   -2 :              -0.00000014523212
                   -1 :              -0.00000450464899
                   +0 :              -0.00000389018104
                   +1 :              -0.00000235069258
                   +2 :               0.00000730498244
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002398871491
                2s
                   +0 :              -0.00022626953541
                3s
                   +0 :               0.00007738839023
                2p
                   -1 :              -0.00008081353464
                   +0 :               0.00008680656777
                   +1 :               0.00018957022921
                3p
                   -1 :               0.00008540802962
                   +0 :              -0.00006460922017
                   +1 :              -0.00008249423598
                3d
                   -2 :              -0.00001714301974
                   -1 :              -0.00000282294066
                   +0 :               0.00000271094941
                   +1 :               0.00001403157894
                   +2 :               0.00000183604924
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000261592256
                2s
                   +0 :              -0.00002879435307
                3s
                   +0 :              -0.00001590022503
                2p
                   -1 :               0.00013466447053
                   +0 :              -0.00009470695268
                   +1 :              -0.00004181079210
                3p
                   -1 :              -0.00006772613702
                   +0 :               0.00005680951399
                   +1 :               0.00002389769304
                3d
                   -2 :              -0.00000180220692
                   -1 :              -0.00000106741705
                   +0 :              -0.00001117556459
                   +1 :               0.00000406939840
                   +2 :               0.00000158782562
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001127737696
                2s
                   +0 :              -0.00008986241033
                3s
                   +0 :               0.00001335387653
                2p
                   -1 :               0.00000094779403
                   +0 :              -0.00001611532744
                   +1 :              -0.00013157685549
                3p
                   -1 :               0.00003681195174
                   +0 :              -0.00000380220751
                   +1 :               0.00007652253513
                3d
                   -2 :               0.00000236259722
                   -1 :               0.00000216022646
                   +0 :               0.00000153996068
                   +1 :              -0.00000347619069
                   +2 :               0.00000327002273
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000929812380
                2s
                   +0 :               0.00000760904368
                3s
                   +0 :              -0.00002735016658
                2p
                   -1 :               0.00001333065021
                   +0 :               0.00012515127094
                   +1 :              -0.00004928340397
                3p
                   -1 :              -0.00005618653308
                   +0 :              -0.00007736539436
                   +1 :               0.00002044125103
                3d
                   -2 :               0.00000161535345
                   -1 :              -0.00000450721208
                   +0 :               0.00000063334975
                   +1 :              -0.00000587247924
                   +2 :              -0.00000295135517
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00003047946555
                2s
                   +0 :               0.00017435170348
                3s
                   +0 :              -0.00011429634602
                2p
                   -1 :               0.00006194346822
                   +0 :               0.00002795207183
                   +1 :               0.00015514439569
                3p
                   -1 :              -0.00014157287967
                   +0 :               0.00002156525209
                   +1 :              -0.00017716814167
                3d
                   -2 :              -0.00001471091672
                   -1 :               0.00001337977496
                   +0 :               0.00002754639035
                   +1 :               0.00000142655269
                   +2 :               0.00000948827040
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000731179054
                2s
                   +0 :               0.00007467037148
                3s
                   +0 :               0.00000167674209
                2p
                   -1 :              -0.00003032399989
                   +0 :               0.00002066254684
                   +1 :               0.00001855138296
                3p
                   -1 :              -0.00000313336124
                   +0 :               0.00004374344547
                   +1 :              -0.00000215331544
                3d
                   -2 :              -0.00000879824479
                   -1 :              -0.00000059013064
                   +0 :              -0.00000323947414
                   +1 :               0.00001248548237
                   +2 :              -0.00000339274405
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00004140904796
                2s
                   +0 :               0.00032807109246
                3s
                   +0 :              -0.00010012078245
                2p
                   -1 :               0.00008282445329
                   +0 :               0.00014805763761
                   +1 :              -0.00004357327621
                3p
                   -1 :              -0.00006204456062
                   +0 :              -0.00004321756842
                   +1 :               0.00006196926023
                3d
                   -2 :              -0.00000423415133
                   -1 :              -0.00000096736113
                   +0 :              -0.00000680818876
                   +1 :               0.00000594645722
                   +2 :               0.00000265109209
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000061467605
                2s
                   +0 :               0.00007084779291
                3s
                   +0 :               0.00003919592324
                2p
                   -1 :              -0.00003895230241
                   +0 :               0.00007862856830
                   +1 :              -0.00011707489982
                3p
                   -1 :               0.00007039242057
                   +0 :               0.00003536266020
                   +1 :               0.00008182598218
                3d
                   -2 :               0.00000392228424
                   -1 :               0.00000706205874
                   +0 :               0.00000163302938
                   +1 :              -0.00000262878859
                   +2 :              -0.00000380034923
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 15)  npairs=  15
              1 vec=    -2.802674      4.129085     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00026208412213
                2s
                   +0 :              -0.00289781948185
                3s
                   +0 :               0.00015285026340
                2p
                   -1 :               0.00183874237949
                   +0 :               0.00397024232883
                   +1 :               0.00430960408560
                3p
                   -1 :              -0.00145840000460
                   +0 :              -0.00046875426996
                   +1 :              -0.00109364012379
                3d
                   -2 :              -0.00004004047667
                   -1 :               0.00014377248126
                   +0 :              -0.00003748122685
                   +1 :              -0.00007585518353
                   +2 :              -0.00009424022000
              2 vec=     4.977489     -0.362794     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00035695320345
                2s
                   +0 :              -0.00273162214403
                3s
                   +0 :               0.00038702776126
                2p
                   -1 :              -0.00070920347051
                   +0 :               0.00343243102149
                   +1 :              -0.00130879604333
                3p
                   -1 :              -0.00125562516454
                   +0 :              -0.00051673943848
                   +1 :              -0.00058848418339
                3d
                   -2 :              -0.00018204632738
                   -1 :               0.00026084918758
                   +0 :              -0.00012016321139
                   +1 :               0.00019490972442
                   +2 :              -0.00003482643513
              3 vec=    -2.802674     -4.854673     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00017143754789
                2s
                   +0 :              -0.00165206867003
                3s
                   +0 :              -0.00019035291159
                2p
                   -1 :               0.00337936560857
                   +0 :               0.00212609608693
                   +1 :              -0.00056302988721
                3p
                   -1 :              -0.00058198651855
                   +0 :               0.00071402820909
                   +1 :               0.00032476405754
                3d
                   -2 :               0.00007067785368
                   -1 :              -0.00008232354412
                   +0 :              -0.00011306074197
                   +1 :               0.00014578861977
                   +2 :               0.00002022106939
              4 vec=     4.977489      8.620964     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00012578091598
                2s
                   +0 :              -0.00106069479331
                3s
                   +0 :               0.00045371107802
                2p
                   -1 :              -0.00048145865339
                   +0 :              -0.00023741689612
                   +1 :              -0.00027666512435
                3p
                   -1 :               0.00023442596593
                   +0 :              -0.00004498931825
                   +1 :               0.00047306708838
                3d
                   -2 :               0.00005986207098
                   -1 :              -0.00005673146228
                   +0 :              -0.00000214255457
                   +1 :              -0.00005807661655
                   +2 :               0.00002376714538
              5 vec=   -10.582837     -0.362794     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00002153030874
                2s
                   +0 :              -0.00028336129213
                3s
                   +0 :               0.00003395603247
                2p
                   -1 :               0.00016348360300
                   +0 :              -0.00030982212877
                   +1 :               0.00002584352880
                3p
                   -1 :              -0.00008303578046
                   +0 :               0.00022835544605
                   +1 :               0.00005937604321
                3d
                   -2 :               0.00001740795333
                   -1 :               0.00000027802293
                   +0 :              -0.00003865423454
                   +1 :               0.00000640111531
                   +2 :               0.00000613436361
              6 vec=     4.977489     -9.346552     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00004898628823
                2s
                   +0 :              -0.00062897791593
                3s
                   +0 :               0.00007557098361
                2p
                   -1 :               0.00021658839509
                   +0 :              -0.00000533317356
                   +1 :              -0.00024691260417
                3p
                   -1 :               0.00005082935194
                   +0 :              -0.00004758977732
                   +1 :              -0.00002678871520
                3d
                   -2 :               0.00001245377570
                   -1 :               0.00002469814639
                   +0 :               0.00001050921345
                   +1 :               0.00001736058441
                   +2 :               0.00000035061801
              7 vec=    -2.802674     13.112843     -8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00001249598640
                2s
                   +0 :              -0.00013152914333
                3s
                   +0 :               0.00002888938388
                2p
                   -1 :              -0.00020775820156
                   +0 :               0.00012473809335
                   +1 :               0.00006685789512
                3p
                   -1 :               0.00013134912526
                   +0 :              -0.00007401673424
                   +1 :              -0.00003299123132
                3d
                   -2 :              -0.00000127186859
                   -1 :               0.00000224009745
                   +0 :               0.00000330353024
                   +1 :               0.00000366226358
                   +2 :              -0.00000795880911
              8 vec=    12.757651      4.129085     -8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00003169872465
                2s
                   +0 :               0.00020077836753
                3s
                   +0 :              -0.00014894385517
                2p
                   -1 :               0.00020705072509
                   +0 :              -0.00011981686670
                   +1 :               0.00019897230807
                3p
                   -1 :              -0.00015415797098
                   +0 :               0.00013765240885
                   +1 :              -0.00023992117886
                3d
                   -2 :               0.00000747254030
                   -1 :               0.00000375012337
                   +0 :              -0.00000618016924
                   +1 :               0.00001523561860
                   +2 :              -0.00000526606642
              9 vec=   -10.582837      8.620964     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00000491062554
                2s
                   +0 :              -0.00001413384271
                3s
                   +0 :              -0.00003733907352
                2p
                   -1 :              -0.00009145041099
                   +0 :               0.00000078045153
                   +1 :               0.00001965473066
                3p
                   -1 :              -0.00000017603923
                   +0 :              -0.00000358628632
                   +1 :              -0.00001286607158
                3d
                   -2 :               0.00000023697153
                   -1 :              -0.00000177933447
                   +0 :              -0.00000833035509
                   +1 :               0.00000316357819
                   +2 :               0.00000014597016
             10 vec=    12.757651     -4.854673     -8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00001092225850
                2s
                   +0 :              -0.00008993662821
                3s
                   +0 :               0.00001725110798
                2p
                   -1 :               0.00011755234581
                   +0 :              -0.00001849729885
                   +1 :              -0.00003178936124
                3p
                   -1 :              -0.00010849931283
                   +0 :               0.00002439706101
                   +1 :              -0.00001250963974
                3d
                   -2 :              -0.00000360727690
                   -1 :              -0.00000537331357
                   +0 :              -0.00000111838126
                   +1 :               0.00000147025127
                   +2 :              -0.00000560157592
             11 vec=   -10.582837     -9.346552     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00000898109372
                2s
                   +0 :              -0.00006631620606
                3s
                   +0 :              -0.00000542149561
                2p
                   -1 :               0.00007725815000
                   +0 :              -0.00003014059549
                   +1 :               0.00008362494370
                3p
                   -1 :              -0.00002510250169
                   +0 :               0.00003910915941
                   +1 :              -0.00004724880364
                3d
                   -2 :              -0.00000310865985
                   -1 :               0.00000133231279
                   +0 :               0.00000091303047
                   +1 :              -0.00000264063915
                   +2 :               0.00000407982271
             12 vec=    -2.802674    -13.838431     -8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00001035087817
                2s
                   +0 :               0.00006045686791
                3s
                   +0 :              -0.00003696110494
                2p
                   -1 :               0.00009854632554
                   +0 :              -0.00010364096901
                   +1 :              -0.00001726897013
                3p
                   -1 :              -0.00000287999427
                   +0 :               0.00012209997667
                   +1 :               0.00004546863677
                3d
                   -2 :              -0.00000402872171
                   -1 :              -0.00000267586598
                   +0 :              -0.00000634463335
                   +1 :              -0.00000734593203
                   +2 :              -0.00000069386795
             13 vec=    -2.802674      4.129085     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00001424298098
                2s
                   +0 :               0.00013623937061
                3s
                   +0 :              -0.00000457625488
                2p
                   -1 :              -0.00011481936564
                   +0 :               0.00011728542480
                   +1 :               0.00011819123050
                3p
                   -1 :               0.00007429813379
                   +0 :              -0.00003222457387
                   +1 :              -0.00003815612453
                3d
                   -2 :               0.00000408984921
                   -1 :               0.00000557696313
                   +0 :              -0.00000061319994
                   +1 :               0.00000620655266
                   +2 :              -0.00000774037759
             14 vec=     4.977489     -0.362794     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00003920064755
                2s
                   +0 :               0.00028817089832
                3s
                   +0 :              -0.00008635294655
                2p
                   -1 :              -0.00008166747520
                   +0 :               0.00023502104476
                   +1 :               0.00018994780842
                3p
                   -1 :               0.00003512332516
                   +0 :              -0.00013546518923
                   +1 :              -0.00013136634125
                3d
                   -2 :              -0.00000573134271
                   -1 :               0.00000303482304
                   +0 :              -0.00000326377716
                   +1 :              -0.00000541820087
                   +2 :              -0.00000452211253
             15 vec=    -2.802674     -4.854673     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00001921498572
                2s
                   +0 :               0.00020491934953
                3s
                   +0 :              -0.00002354589156
                2p
                   -1 :               0.00008940254470
                   +0 :               0.00014601416690
                   +1 :              -0.00003683351079
                3p
                   -1 :              -0.00002730268349
                   +0 :               0.00000120870851
                   +1 :              -0.00002493539288
                3d
                   -2 :              -0.00000017108467
                   -1 :              -0.00000224227737
                   +0 :               0.00000399115091
                   +1 :              -0.00000654538155
                   +2 :               0.00000374451844
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 16)  npairs=  14
              1 vec=     2.593647     -1.739106      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00229802726401
                2s
                   +0 :               0.05971517469608
                3s
                   +0 :              -0.00337154652194
                2p
                   -1 :              -0.01118854229347
                   +0 :               0.02377411466952
                   +1 :               0.02300206731338
                3p
                   -1 :              -0.00444491896574
                   +0 :               0.00294300449514
                   +1 :              -0.00150054508746
                3d
                   -2 :              -0.00096257868316
                   -1 :              -0.00120273729793
                   +0 :               0.00148936540574
                   +1 :               0.00294292817284
                   +2 :               0.00047230805770
              2 vec=    -5.186516      2.752773      4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00008405641378
                2s
                   +0 :              -0.00146900182119
                3s
                   +0 :               0.00048324814332
                2p
                   -1 :               0.00069293456646
                   +0 :               0.00159056856909
                   +1 :               0.00043388285518
                3p
                   -1 :              -0.00016754605375
                   +0 :              -0.00122412045651
                   +1 :              -0.00119527279013
                3d
                   -2 :               0.00009204201217
                   -1 :              -0.00014390110035
                   +0 :              -0.00032916165151
                   +1 :               0.00013639848181
                   +2 :              -0.00003907887670
              3 vec=     2.593647      7.244652      4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00027293245098
                2s
                   +0 :              -0.00283755336359
                3s
                   +0 :               0.00098696727557
                2p
                   -1 :              -0.00187500012280
                   +0 :              -0.00339180468819
                   +1 :               0.00188618470618
                3p
                   -1 :               0.00123697774715
                   +0 :               0.00080643396043
                   +1 :              -0.00047117762049
                3d
                   -2 :               0.00009148389601
                   -1 :              -0.00003571851508
                   +0 :              -0.00010466045096
                   +1 :              -0.00021528422640
                   +2 :               0.00001100719623
              4 vec=    -5.186516     -6.230985      4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00013004749302
                2s
                   +0 :              -0.00061819265021
                3s
                   +0 :               0.00052655385083
                2p
                   -1 :              -0.00168610504651
                   +0 :              -0.00109159139921
                   +1 :              -0.00208783798409
                3p
                   -1 :               0.00037115943541
                   +0 :               0.00004355909600
                   +1 :               0.00189424219890
                3d
                   -2 :              -0.00004170130757
                   -1 :               0.00011064625379
                   +0 :               0.00001247039083
                   +1 :               0.00008202901155
                   +2 :              -0.00015773996034
              5 vec=    10.373810      2.752773      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00025221879344
                2s
                   +0 :              -0.00138238022891
                3s
                   +0 :               0.00081780680434
                2p
                   -1 :               0.00044524451366
                   +0 :               0.00053312120444
                   +1 :              -0.00114306669604
                3p
                   -1 :              -0.00034890413283
                   +0 :              -0.00052602016046
                   +1 :               0.00111768234872
                3d
                   -2 :              -0.00004122851783
                   -1 :               0.00000256574567
                   +0 :              -0.00004617415868
                   +1 :              -0.00002844248465
                   +2 :               0.00006401494376
              6 vec=     2.593647    -10.722864      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00002274968983
                2s
                   +0 :               0.00004880550839
                3s
                   +0 :               0.00013907680335
                2p
                   -1 :              -0.00025687675127
                   +0 :              -0.00013545155450
                   +1 :               0.00005277479983
                3p
                   -1 :               0.00000778571105
                   +0 :               0.00006490988142
                   +1 :              -0.00008479320427
                3d
                   -2 :              -0.00000415645124
                   -1 :               0.00000226575215
                   +0 :              -0.00001881518696
                   +1 :              -0.00000404540512
                   +2 :              -0.00000927323128
              7 vec=    10.373810     -6.230985      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00001850422253
                2s
                   +0 :               0.00002840805224
                3s
                   +0 :               0.00013474721818
                2p
                   -1 :               0.00039505461536
                   +0 :              -0.00004396764372
                   +1 :              -0.00011845050071
                3p
                   -1 :              -0.00025187186974
                   +0 :               0.00016728659830
                   +1 :               0.00020667629180
                3d
                   -2 :              -0.00000225268883
                   -1 :               0.00002128803618
                   +0 :              -0.00004051583852
                   +1 :               0.00002663111812
                   +2 :              -0.00000492775761
              8 vec=    -5.186516     11.736531      4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00007001506950
                2s
                   +0 :               0.00079537544880
                3s
                   +0 :              -0.00017636822543
                2p
                   -1 :               0.00065789415030
                   +0 :              -0.00015519952217
                   +1 :              -0.00049290950174
                3p
                   -1 :              -0.00019925355635
                   +0 :               0.00010830647013
                   +1 :               0.00019543830174
                3d
                   -2 :              -0.00000499847776
                   -1 :               0.00000725271932
                   +0 :              -0.00001892578362
                   +1 :              -0.00002149668973
                   +2 :              -0.00003437380199
              9 vec=   -12.966678     -1.739106      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00002156177426
                2s
                   +0 :               0.00013990527427
                3s
                   +0 :               0.00014430975024
                2p
                   -1 :               0.00003315442097
                   +0 :               0.00005224634508
                   +1 :              -0.00048700029970
                3p
                   -1 :               0.00000277833991
                   +0 :              -0.00007376176767
                   +1 :               0.00010975084405
                3d
                   -2 :               0.00000151347673
                   -1 :               0.00001456341728
                   +0 :              -0.00000926679330
                   +1 :               0.00002685097348
                   +2 :               0.00002087514628
             10 vec=   -12.966678      7.244652      4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00004661406015
                2s
                   +0 :              -0.00026938757943
                3s
                   +0 :               0.00013379349628
                2p
                   -1 :              -0.00010867945739
                   +0 :              -0.00001380285757
                   +1 :               0.00011033155642
                3p
                   -1 :               0.00010604702904
                   +0 :               0.00000231772548
                   +1 :              -0.00009883494637
                3d
                   -2 :              -0.00001002770632
                   -1 :               0.00000310477150
                   +0 :               0.00000141939290
                   +1 :              -0.00000151783798
                   +2 :               0.00000072060737
             11 vec=    10.373810     11.736531      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000672911748
                2s
                   +0 :              -0.00003382777130
                3s
                   +0 :               0.00005976379507
                2p
                   -1 :              -0.00021385506295
                   +0 :              -0.00004358523925
                   +1 :              -0.00004796404336
                3p
                   -1 :               0.00025822460494
                   +0 :               0.00002276497344
                   +1 :               0.00007034732765
                3d
                   -2 :               0.00001963111460
                   -1 :               0.00000534908313
                   +0 :              -0.00000710931860
                   +1 :               0.00000119319394
                   +2 :              -0.00001997876196
             12 vec=    -5.186516    -15.214743      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00000169082191
                2s
                   +0 :               0.00000312117575
                3s
                   +0 :               0.00001473922015
                2p
                   -1 :               0.00013559828513
                   +0 :              -0.00005417083009
                   +1 :              -0.00006578762385
                3p
                   -1 :              -0.00015383521835
                   +0 :               0.00002524475169
                   +1 :               0.00003832477080
                3d
                   -2 :               0.00000488869105
                   -1 :               0.00000087132881
                   +0 :              -0.00000966987626
                   +1 :              -0.00000354456645
                   +2 :              -0.00000757483033
             13 vec=     2.593647     16.228410      4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00000938262639
                2s
                   +0 :               0.00006529466167
                3s
                   +0 :              -0.00003124818440
                2p
                   -1 :               0.00003474701688
                   +0 :               0.00004330980040
                   +1 :              -0.00004133126874
                3p
                   -1 :               0.00000328060063
                   +0 :              -0.00005022907537
                   +1 :               0.00004125003633
                3d
                   -2 :               0.00000399993820
                   -1 :              -0.00000736607622
                   +0 :              -0.00000569108873
                   +1 :               0.00000420806886
                   +2 :               0.00000463106234
             14 vec=   -12.966678    -10.722864      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000056874442
                2s
                   +0 :               0.00001184932534
                3s
                   +0 :               0.00001316217061
                2p
                   -1 :               0.00003394772224
                   +0 :              -0.00005829710636
                   +1 :              -0.00006700188185
                3p
                   -1 :              -0.00004356866805
                   +0 :               0.00003200226820
                   +1 :               0.00002980046682
                3d
                   -2 :               0.00000342445077
                   -1 :               0.00000014496345
                   +0 :               0.00000293081429
                   +1 :               0.00000191593676
                   +2 :               0.00000323743351
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 17)  npairs=  14
              1 vec=    -0.418832      2.752773      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00263994027123
                2s
                   +0 :               0.08130879192477
                3s
                   +0 :              -0.00476913285080
                2p
                   -1 :               0.03616171974027
                   +0 :               0.04375903831567
                   +1 :              -0.00732043608003
                3p
                   -1 :              -0.00461264576169
                   +0 :              -0.00601965119661
                   +1 :               0.00035223434629
                3d
                   -2 :              -0.00084083354255
                   -1 :               0.00161284759385
                   +0 :               0.00097359415188
                   +1 :              -0.00029992232151
                   +2 :              -0.00199581540603
              2 vec=    -0.418832     -6.230985      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00041475268844
                2s
                   +0 :               0.00309871699461
                3s
                   +0 :              -0.00147668011012
                2p
                   -1 :              -0.00319078311803
                   +0 :               0.00188311667130
                   +1 :               0.00189544444623
                3p
                   -1 :               0.00151598132115
                   +0 :              -0.00075212635644
                   +1 :              -0.00174951424671
                3d
                   -2 :              -0.00004933106257
                   -1 :               0.00010594519578
                   +0 :               0.00039158642735
                   +1 :              -0.00007659535137
                   +2 :               0.00021856348184
              3 vec=     7.361331     -1.739106      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00025103975196
                2s
                   +0 :               0.00111336659455
                3s
                   +0 :              -0.00086097238297
                2p
                   -1 :               0.00051729756745
                   +0 :              -0.00354953741289
                   +1 :               0.00313322258139
                3p
                   -1 :               0.00111316443766
                   +0 :               0.00060278769481
                   +1 :              -0.00167340341716
                3d
                   -2 :               0.00018874050037
                   -1 :               0.00009220402457
                   +0 :              -0.00001237074913
                   +1 :              -0.00026250879998
                   +2 :               0.00006653063160
              4 vec=    -8.198995     -1.739106      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00024689183303
                2s
                   +0 :               0.00174621205496
                3s
                   +0 :              -0.00057514161024
                2p
                   -1 :              -0.00030096897653
                   +0 :               0.00038148692745
                   +1 :              -0.00256773866837
                3p
                   -1 :               0.00058925662397
                   +0 :              -0.00121855170089
                   +1 :               0.00080785137935
                3d
                   -2 :              -0.00002949654176
                   -1 :               0.00002637418758
                   +0 :              -0.00001788030339
                   +1 :               0.00016200381023
                   +2 :               0.00006015183108
              5 vec=     7.361331      7.244652      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00018310071711
                2s
                   +0 :              -0.00080677137531
                3s
                   +0 :               0.00041908361801
                2p
                   -1 :               0.00130449859211
                   +0 :               0.00093651420297
                   +1 :               0.00002656019122
                3p
                   -1 :              -0.00104623194954
                   +0 :              -0.00101217842442
                   +1 :               0.00002190184521
                3d
                   -2 :              -0.00011200083334
                   -1 :              -0.00005313506144
                   +0 :               0.00008062157563
                   +1 :              -0.00000342404972
                   +2 :               0.00006123939738
              6 vec=    -8.198995      7.244652      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00003962213888
                2s
                   +0 :               0.00021088972881
                3s
                   +0 :              -0.00003996767150
                2p
                   -1 :               0.00000545443854
                   +0 :               0.00009997693038
                   +1 :              -0.00058987534813
                3p
                   -1 :              -0.00009809154497
                   +0 :              -0.00017052459373
                   +1 :               0.00057148353122
                3d
                   -2 :               0.00001865144272
                   -1 :               0.00002180439516
                   +0 :              -0.00000465087224
                   +1 :              -0.00003012626390
                   +2 :               0.00000891649154
              7 vec=    -0.418832     11.736531      4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00001464666791
                2s
                   +0 :               0.00025999352895
                3s
                   +0 :              -0.00003756684767
                2p
                   -1 :               0.00022455700456
                   +0 :               0.00008732541802
                   +1 :               0.00049517423530
                3p
                   -1 :              -0.00018394329469
                   +0 :               0.00003929550083
                   +1 :              -0.00021934392102
                3d
                   -2 :               0.00001202380908
                   -1 :              -0.00001599558000
                   +0 :               0.00002084806922
                   +1 :               0.00000415958887
                   +2 :               0.00000283456989
              8 vec=     7.361331    -10.722864      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00000581241598
                2s
                   +0 :               0.00024875164142
                3s
                   +0 :               0.00018375609912
                2p
                   -1 :              -0.00027239482060
                   +0 :               0.00004297597202
                   +1 :              -0.00018035290974
                3p
                   -1 :              -0.00021590325532
                   +0 :               0.00007101134288
                   +1 :               0.00037087852831
                3d
                   -2 :              -0.00005501954793
                   -1 :              -0.00002084316338
                   +0 :              -0.00001175634331
                   +1 :               0.00002053081066
                   +2 :              -0.00001866428207
              9 vec=    -8.198995    -10.722864      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00000227083478
                2s
                   +0 :               0.00009309757447
                3s
                   +0 :               0.00006609465328
                2p
                   -1 :              -0.00004819587896
                   +0 :              -0.00005012006558
                   +1 :               0.00011241820527
                3p
                   -1 :              -0.00011508775183
                   +0 :               0.00004081703415
                   +1 :              -0.00018991428162
                3d
                   -2 :               0.00002356815095
                   -1 :              -0.00001679655183
                   +0 :              -0.00002801372837
                   +1 :               0.00000734772107
                   +2 :              -0.00000335982023
             10 vec=    -0.418832    -15.214743      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000529772743
                2s
                   +0 :               0.00002791385954
                3s
                   +0 :               0.00001308509416
                2p
                   -1 :              -0.00002699121092
                   +0 :               0.00002012507362
                   +1 :               0.00007943544129
                3p
                   -1 :              -0.00004650128137
                   +0 :              -0.00001455318712
                   +1 :              -0.00008801986144
                3d
                   -2 :               0.00000498371409
                   -1 :               0.00000336149332
                   +0 :               0.00000260748163
                   +1 :               0.00000150095003
                   +2 :               0.00000142229722
             11 vec=    15.141493      2.752773      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00005906627209
                2s
                   +0 :               0.00036899910693
                3s
                   +0 :              -0.00016429243365
                2p
                   -1 :               0.00002974218078
                   +0 :               0.00016708779393
                   +1 :               0.00011618961479
                3p
                   -1 :              -0.00000028062054
                   +0 :              -0.00016582060299
                   +1 :              -0.00004890645231
                3d
                   -2 :               0.00000424694673
                   -1 :              -0.00000114800761
                   +0 :              -0.00001050130464
                   +1 :              -0.00002626045611
                   +2 :              -0.00000643549830
             12 vec=   -15.979157      2.752773      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00002367144042
                2s
                   +0 :              -0.00015054137994
                3s
                   +0 :               0.00008228312359
                2p
                   -1 :               0.00002811206257
                   +0 :              -0.00006663136040
                   +1 :               0.00003528370520
                3p
                   -1 :               0.00000098663366
                   +0 :               0.00003938115378
                   +1 :              -0.00002547102523
                3d
                   -2 :               0.00000304719570
                   -1 :               0.00000257498174
                   +0 :              -0.00000167853658
                   +1 :              -0.00000083271313
                   +2 :               0.00000198374264
             13 vec=    15.141493     -6.230985      4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000978395697
                2s
                   +0 :               0.00007683898043
                3s
                   +0 :              -0.00002062545254
                2p
                   -1 :               0.00003389294795
                   +0 :              -0.00006874047100
                   +1 :               0.00003829310939
                3p
                   -1 :              -0.00005033268431
                   +0 :               0.00004900639399
                   +1 :              -0.00000066908152
                3d
                   -2 :              -0.00000907532775
                   -1 :               0.00000094680346
                   +0 :              -0.00000005557298
                   +1 :               0.00000965510139
                   +2 :               0.00000368974772
             14 vec=   -15.979157     -6.230985      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000389018502
                2s
                   +0 :               0.00003759280326
                3s
                   +0 :              -0.00000666191423
                2p
                   -1 :              -0.00004939738583
                   +0 :              -0.00001665022664
                   +1 :              -0.00000129308060
                3p
                   -1 :               0.00002033048863
                   +0 :               0.00000790555812
                   +1 :              -0.00000509542316
                3d
                   -2 :               0.00000222017780
                   -1 :               0.00000017715748
                   +0 :               0.00000010247024
                   +1 :               0.00000020733411
                   +2 :              -0.00000514306657
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 18)  npairs=  14
              1 vec=    -2.802674     -1.376162      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00243036553476
                2s
                   +0 :               0.05275161968340
                3s
                   +0 :              -0.00371776647885
                2p
                   -1 :              -0.00717409710534
                   +0 :               0.02509518735249
                   +1 :              -0.02417405726329
                3p
                   -1 :              -0.00212162303965
                   +0 :              -0.00028326155893
                   +1 :               0.00277991667087
                3d
                   -2 :               0.00072030931081
                   -1 :              -0.00075708478813
                   +0 :               0.00098338971910
                   +1 :              -0.00290300455024
                   +2 :               0.00113557643257
              2 vec=     4.977489      3.115717      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00227087128775
                2s
                   +0 :               0.01624299759078
                3s
                   +0 :              -0.00760626944325
                2p
                   -1 :               0.00870410517525
                   +0 :               0.00582018254644
                   +1 :               0.01253800962951
                3p
                   -1 :              -0.00597003067329
                   +0 :              -0.00451188010382
                   +1 :              -0.00909758462457
                3d
                   -2 :              -0.00068152228783
                   -1 :              -0.00028251354260
                   +0 :               0.00035943400909
                   +1 :              -0.00043882007538
                   +2 :              -0.00033759600527
              3 vec=     4.977489     -5.868041      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00009226696895
                2s
                   +0 :               0.00081609270361
                3s
                   +0 :               0.00005994363346
                2p
                   -1 :              -0.00522848601855
                   +0 :              -0.00268065087081
                   +1 :               0.00145749103536
                3p
                   -1 :               0.00200825868835
                   +0 :               0.00052714404283
                   +1 :              -0.00044731384101
                3d
                   -2 :              -0.00006280164306
                   -1 :               0.00009442930162
                   +0 :              -0.00012593421876
                   +1 :              -0.00010740521283
                   +2 :              -0.00004453532667
              4 vec=    -2.802674      7.607596      4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00015664009758
                2s
                   +0 :               0.00106071241532
                3s
                   +0 :              -0.00014730589125
                2p
                   -1 :               0.00115515186207
                   +0 :              -0.00189487749682
                   +1 :              -0.00197391305809
                3p
                   -1 :               0.00083183610057
                   +0 :               0.00053689047007
                   +1 :               0.00034079989032
                3d
                   -2 :              -0.00012391756553
                   -1 :              -0.00003683513591
                   +0 :              -0.00014496691220
                   +1 :               0.00000127186196
                   +2 :              -0.00017099718794
              5 vec=    -2.802674    -10.359920      4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00004780562370
                2s
                   +0 :               0.00061002035339
                3s
                   +0 :              -0.00019241520925
                2p
                   -1 :              -0.00033357900145
                   +0 :              -0.00018046796044
                   +1 :              -0.00078667299563
                3p
                   -1 :               0.00010572164666
                   +0 :               0.00011409116959
                   +1 :               0.00072291810324
                3d
                   -2 :              -0.00006869762795
                   -1 :               0.00001471984227
                   +0 :               0.00004628751188
                   +1 :               0.00003391058501
                   +2 :               0.00002179584721
              6 vec=   -10.582837      3.115717      4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00007572530246
                2s
                   +0 :               0.00048929916626
                3s
                   +0 :              -0.00025458070722
                2p
                   -1 :               0.00080797821875
                   +0 :              -0.00028205258071
                   +1 :              -0.00050142389194
                3p
                   -1 :              -0.00069194104307
                   +0 :               0.00013854942739
                   +1 :               0.00053490550417
                3d
                   -2 :               0.00002652609952
                   -1 :              -0.00000896141867
                   +0 :               0.00003242924982
                   +1 :               0.00000544755560
                   +2 :              -0.00006086050779
              7 vec=   -10.582837     -5.868041      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00000696438571
                2s
                   +0 :               0.00010956710118
                3s
                   +0 :               0.00002708538177
                2p
                   -1 :               0.00000207243587
                   +0 :               0.00030360032450
                   +1 :               0.00015944444922
                3p
                   -1 :              -0.00010411037085
                   +0 :              -0.00015560719647
                   +1 :              -0.00017983190166
                3d
                   -2 :              -0.00003364408453
                   -1 :               0.00003273755563
                   +0 :              -0.00000601133062
                   +1 :               0.00000870847179
                   +2 :              -0.00000007868855
              8 vec=    12.757651     -1.376162      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00001424854903
                2s
                   +0 :               0.00033341955719
                3s
                   +0 :               0.00005810033054
                2p
                   -1 :              -0.00010040278895
                   +0 :               0.00010484200755
                   +1 :               0.00013551066958
                3p
                   -1 :               0.00007355646279
                   +0 :              -0.00007225143491
                   +1 :               0.00019892684890
                3d
                   -2 :              -0.00000031985771
                   -1 :              -0.00001066193886
                   +0 :              -0.00002566478348
                   +1 :              -0.00001493576544
                   +2 :               0.00004344878164
              9 vec=     4.977489     12.099475      4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00000128444107
                2s
                   +0 :               0.00006334731057
                3s
                   +0 :               0.00003663342062
                2p
                   -1 :               0.00019014809831
                   +0 :              -0.00016366428000
                   +1 :              -0.00015235472095
                3p
                   -1 :              -0.00009710157070
                   +0 :               0.00011143098270
                   +1 :               0.00012758055988
                3d
                   -2 :              -0.00001580715679
                   -1 :               0.00000119288249
                   +0 :              -0.00000327794384
                   +1 :               0.00000711616804
                   +2 :               0.00000711859909
             10 vec=    12.757651      7.607596      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00003022444074
                2s
                   +0 :               0.00018953382113
                3s
                   +0 :              -0.00004943426724
                2p
                   -1 :               0.00013544536319
                   +0 :               0.00009296984319
                   +1 :               0.00016717318993
                3p
                   -1 :              -0.00005896786569
                   +0 :              -0.00009146715198
                   +1 :              -0.00007822665913
                3d
                   -2 :               0.00001751368611
                   -1 :              -0.00001006105847
                   +0 :              -0.00001217333178
                   +1 :              -0.00000209070659
                   +2 :               0.00000131158468
             11 vec=     4.977489    -14.851799      4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000796261773
                2s
                   +0 :               0.00005613984967
                3s
                   +0 :               0.00000484297975
                2p
                   -1 :              -0.00003692370987
                   +0 :              -0.00002371403158
                   +1 :              -0.00001072697704
                3p
                   -1 :              -0.00002580937806
                   +0 :               0.00001194615494
                   +1 :              -0.00000108817891
                3d
                   -2 :               0.00000850134788
                   -1 :              -0.00000726991130
                   +0 :              -0.00001155042497
                   +1 :              -0.00000333323902
                   +2 :              -0.00000101155315
             12 vec=   -10.582837     12.099475      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00001870012005
                2s
                   +0 :              -0.00011826485581
                3s
                   +0 :               0.00005673909042
                2p
                   -1 :              -0.00012440352884
                   +0 :               0.00002495009082
                   +1 :               0.00001996129986
                3p
                   -1 :               0.00009064351424
                   +0 :              -0.00004720385965
                   +1 :              -0.00002456734412
                3d
                   -2 :              -0.00000167534254
                   -1 :               0.00000160641132
                   +0 :              -0.00000598305305
                   +1 :               0.00000285336998
                   +2 :              -0.00000047597177
             13 vec=    12.757651    -10.359920      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000207678475
                2s
                   +0 :               0.00001473618936
                3s
                   +0 :              -0.00000067457249
                2p
                   -1 :              -0.00004073707166
                   +0 :              -0.00008893571230
                   +1 :              -0.00003315557798
                3p
                   -1 :               0.00004454998773
                   +0 :               0.00006456678424
                   +1 :               0.00004547145809
                3d
                   -2 :              -0.00000500486092
                   -1 :               0.00000375930681
                   +0 :               0.00000460353962
                   +1 :               0.00000065060506
                   +2 :               0.00000028766375
             14 vec=    -2.802674     16.591354      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000172152704
                2s
                   +0 :               0.00000825762523
                3s
                   +0 :              -0.00000215090093
                2p
                   -1 :               0.00001952544792
                   +0 :               0.00004096922296
                   +1 :               0.00007151103829
                3p
                   -1 :              -0.00000851735118
                   +0 :              -0.00005983318245
                   +1 :              -0.00002655924272
                3d
                   -2 :              -0.00000000767891
                   -1 :              -0.00000023600583
                   +0 :              -0.00000179135699
                   +1 :               0.00000035569166
                   +2 :               0.00000188941777
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 19)  npairs=  12
              1 vec=     4.768202      0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00030171274656
                2s
                   +0 :               0.00337305093601
                3s
                   +0 :              -0.00047911090212
                2p
                   -1 :               0.00122283429548
                   +0 :              -0.01064495090813
                   +1 :              -0.00161767479309
                3p
                   -1 :              -0.00119104242887
                   +0 :              -0.00342119296722
                   +1 :               0.00311613024286
                3d
                   -2 :              -0.00000145851709
                   -1 :               0.00014547082636
                   +0 :               0.00006239072863
                   +1 :              -0.00205167815278
                   +2 :               0.00038701713071
              2 vec=    -3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00152239754765
                2s
                   +0 :               0.00853648674357
                3s
                   +0 :              -0.00413186569003
                2p
                   -1 :              -0.00400112850473
                   +0 :              -0.00632691971038
                   +1 :              -0.00775228592896
                3p
                   -1 :               0.00270956718573
                   +0 :               0.00156404734216
                   +1 :               0.00582725756417
                3d
                   -2 :              -0.00037636005300
                   -1 :               0.00056154956604
                   +0 :               0.00044519614887
                   +1 :               0.00074770852885
                   +2 :              -0.00010670873578
              3 vec=    -3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00181840860950
                2s
                   +0 :              -0.01178429259036
                3s
                   +0 :               0.00520197516039
                2p
                   -1 :              -0.00692682221312
                   +0 :              -0.00052374039046
                   +1 :               0.00386480747130
                3p
                   -1 :               0.00390214678955
                   +0 :              -0.00344458835628
                   +1 :              -0.00213911341600
                3d
                   -2 :               0.00002514915816
                   -1 :              -0.00064734733337
                   +0 :              -0.00026083016499
                   +1 :               0.00012003482020
                   +2 :              -0.00031868910405
              4 vec=     4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00002598618555
                2s
                   +0 :               0.00060460343034
                3s
                   +0 :               0.00018150033615
                2p
                   -1 :              -0.00123735422878
                   +0 :               0.00019433416191
                   +1 :               0.00080562082702
                3p
                   -1 :               0.00052037325981
                   +0 :              -0.00055618527203
                   +1 :              -0.00040683022384
                3d
                   -2 :               0.00003830442583
                   -1 :               0.00011429801541
                   +0 :               0.00011161780806
                   +1 :              -0.00001069559658
                   +2 :              -0.00005698774277
              5 vec=     4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00001548298459
                2s
                   +0 :              -0.00030351489068
                3s
                   +0 :              -0.00008237021336
                2p
                   -1 :              -0.00048844227444
                   +0 :              -0.00043069575771
                   +1 :              -0.00129539704303
                3p
                   -1 :               0.00009614643047
                   +0 :              -0.00003071801783
                   +1 :               0.00096151671965
                3d
                   -2 :               0.00008375676132
                   -1 :              -0.00001732069630
                   +0 :               0.00003460846226
                   +1 :              -0.00001128851707
                   +2 :               0.00002973791409
              6 vec=   -10.792123     -0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00018469225112
                2s
                   +0 :               0.00086235142018
                3s
                   +0 :              -0.00054627550401
                2p
                   -1 :               0.00001948463490
                   +0 :               0.00021782221502
                   +1 :              -0.00082949974650
                3p
                   -1 :               0.00002806969412
                   +0 :              -0.00050047413915
                   +1 :               0.00084976040080
                3d
                   -2 :               0.00003243192364
                   -1 :              -0.00002009903499
                   +0 :               0.00001831310616
                   +1 :               0.00004210192924
                   +2 :              -0.00006609126360
              7 vec=    12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00006261353501
                2s
                   +0 :               0.00042317149194
                3s
                   +0 :              -0.00019626910826
                2p
                   -1 :              -0.00031955569632
                   +0 :              -0.00016132721889
                   +1 :               0.00036561725145
                3p
                   -1 :               0.00022165284665
                   +0 :               0.00004574851588
                   +1 :              -0.00026427927373
                3d
                   -2 :               0.00002006314579
                   -1 :              -0.00000294930059
                   +0 :              -0.00001575072880
                   +1 :               0.00000826713251
                   +2 :              -0.00000366666897
              8 vec=    12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00002177059976
                2s
                   +0 :               0.00012156571142
                3s
                   +0 :              -0.00008310783308
                2p
                   -1 :               0.00015860609050
                   +0 :              -0.00040813232372
                   +1 :              -0.00031045135087
                3p
                   -1 :              -0.00010429129983
                   +0 :               0.00027190782178
                   +1 :               0.00020277105007
                3d
                   -2 :              -0.00000581792975
                   -1 :              -0.00001504306511
                   +0 :               0.00001113709059
                   +1 :              -0.00000018020588
                   +2 :              -0.00000699427067
              9 vec=    -3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00001267222836
                2s
                   +0 :               0.00009978226524
                3s
                   +0 :              -0.00002743104893
                2p
                   -1 :              -0.00006818379753
                   +0 :               0.00012936065615
                   +1 :               0.00017465475045
                3p
                   -1 :               0.00002998304366
                   +0 :              -0.00013377207343
                   +1 :              -0.00016472130958
                3d
                   -2 :               0.00001539261864
                   -1 :              -0.00000160414187
                   +0 :              -0.00001958994009
                   +1 :               0.00001096067708
                   +2 :               0.00000805893927
             10 vec=    -3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005370671794
                2s
                   +0 :              -0.00034616609552
                3s
                   +0 :               0.00013164330395
                2p
                   -1 :              -0.00035023710405
                   +0 :               0.00014657938339
                   +1 :               0.00000160815663
                3p
                   -1 :               0.00022511712672
                   +0 :              -0.00015665080330
                   +1 :              -0.00000965714264
                3d
                   -2 :              -0.00001087685280
                   -1 :              -0.00000039229000
                   +0 :              -0.00000491549443
                   +1 :               0.00000495635515
                   +2 :               0.00000296536898
             11 vec=   -10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00000717328288
                2s
                   +0 :               0.00000214908191
                3s
                   +0 :              -0.00000533486714
                2p
                   -1 :               0.00002324829055
                   +0 :               0.00006551124182
                   +1 :              -0.00003399262259
                3p
                   -1 :               0.00000503284999
                   +0 :              -0.00009557811934
                   +1 :               0.00003470700469
                3d
                   -2 :               0.00000714031346
                   -1 :              -0.00000644555457
                   +0 :              -0.00000482411375
                   +1 :               0.00000592304458
                   +2 :               0.00000387581276
             12 vec=   -10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00002444291819
                2s
                   +0 :               0.00014356287072
                3s
                   +0 :              -0.00011903829133
                2p
                   -1 :               0.00033337015338
                   +0 :              -0.00006288221793
                   +1 :               0.00000458612038
                3p
                   -1 :              -0.00025916238775
                   +0 :               0.00003593921974
                   +1 :               0.00003843012103
                3d
                   -2 :               0.00000929000254
                   -1 :              -0.00001102786748
                   +0 :               0.00002333062828
                   +1 :              -0.00000922492597
                   +2 :               0.00000608623142
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 20)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00002329422269
                2s
                   +0 :              -0.00045385251029
                3s
                   +0 :               0.00004552428645
                2p
                   -1 :              -0.02901647086511
                   +0 :               0.87407009020164
                   +1 :               0.01686468843951
                3p
                   -1 :               0.01202490052203
                   +0 :              -0.03991756573809
                   +1 :              -0.00701865331703
                3d
                   -2 :              -0.00111302429330
                   -1 :               0.00219885623947
                   +0 :              -0.00004146020112
                   +1 :               0.00379908774552
                   +2 :               0.00193908189291
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000193467398
                2s
                   +0 :              -0.00000980571808
                3s
                   +0 :               0.00000625866796
                2p
                   -1 :               0.00006394235921
                   +0 :               0.00069284826116
                   +1 :              -0.00001972516534
                3p
                   -1 :               0.00009225991509
                   +0 :              -0.00033457353713
                   +1 :              -0.00006551249636
                3d
                   -2 :              -0.00001696510788
                   -1 :              -0.00001656245771
                   +0 :              -0.00000045929785
                   +1 :              -0.00002923050677
                   +2 :               0.00003061361836
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028045596705
                2s
                   +0 :              -0.00202086987472
                3s
                   +0 :               0.00120981414903
                2p
                   -1 :              -0.00080129710881
                   +0 :               0.00074362046870
                   +1 :               0.00188307089203
                3p
                   -1 :               0.00102081280497
                   +0 :              -0.00055507450986
                   +1 :              -0.00167451798753
                3d
                   -2 :              -0.00018870580266
                   -1 :              -0.00000621890914
                   +0 :              -0.00001766840909
                   +1 :               0.00016267754670
                   +2 :               0.00010880396344
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00028125069889
                2s
                   +0 :               0.00203852677437
                3s
                   +0 :              -0.00120721708959
                2p
                   -1 :              -0.00205722139387
                   +0 :               0.00074939097578
                   +1 :              -0.00022884147409
                3p
                   -1 :               0.00196367964783
                   +0 :              -0.00054466043849
                   +1 :              -0.00005732736605
                3d
                   -2 :               0.00000081305020
                   -1 :               0.00014264408021
                   +0 :               0.00001806696833
                   +1 :               0.00007621203419
                   +2 :               0.00021709021727
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00005401211916
                2s
                   +0 :               0.00009374304775
                3s
                   +0 :              -0.00023593285856
                2p
                   -1 :               0.00082138426947
                   +0 :              -0.00014549226878
                   +1 :              -0.00025094947111
                3p
                   -1 :              -0.00086556863319
                   +0 :               0.00033778869481
                   +1 :               0.00026210846359
                3d
                   -2 :               0.00005857215399
                   -1 :               0.00010807158134
                   +0 :              -0.00000808258853
                   +1 :              -0.00004895589973
                   +2 :              -0.00005557906749
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00005445857746
                2s
                   +0 :              -0.00009281395414
                3s
                   +0 :               0.00023852733708
                2p
                   -1 :               0.00064582845772
                   +0 :              -0.00015999405852
                   +1 :              -0.00058524910577
                3p
                   -1 :              -0.00066522659397
                   +0 :               0.00033312888888
                   +1 :               0.00062399231747
                3d
                   -2 :               0.00001989195508
                   -1 :              -0.00009689746294
                   +0 :               0.00000860862590
                   +1 :               0.00006876746746
                   +2 :              -0.00007911040851
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000230517080
                2s
                   +0 :              -0.00001910494001
                3s
                   +0 :               0.00000439658139
                2p
                   -1 :              -0.00147055976873
                   +0 :              -0.00031294745708
                   +1 :               0.00086129294506
                3p
                   -1 :               0.00159038758655
                   +0 :               0.00071350947611
                   +1 :              -0.00092472540579
                3d
                   -2 :               0.00003107613902
                   -1 :               0.00009666301133
                   +0 :               0.00000052753361
                   +1 :               0.00016575890714
                   +2 :              -0.00005465519989
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003245911498
                2s
                   +0 :              -0.00021113053463
                3s
                   +0 :               0.00007283140907
                2p
                   -1 :               0.00003245262078
                   +0 :               0.00010284094705
                   +1 :               0.00002424358861
                3p
                   -1 :              -0.00002068154922
                   +0 :              -0.00011264083871
                   +1 :               0.00003768337489
                3d
                   -2 :               0.00000146563661
                   -1 :               0.00000212625134
                   +0 :               0.00001145136000
                   +1 :               0.00000910544290
                   +2 :              -0.00000599447125
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003198881937
                2s
                   +0 :               0.00020785217451
                3s
                   +0 :              -0.00007270778203
                2p
                   -1 :              -0.00000008610716
                   +0 :               0.00010235646000
                   +1 :              -0.00004066655676
                3p
                   -1 :              -0.00004591364158
                   +0 :              -0.00011401738269
                   +1 :              -0.00000241849014
                3d
                   -2 :               0.00000485724559
                   -1 :               0.00000748458274
                   +0 :              -0.00001152085176
                   +1 :               0.00000655428099
                   +2 :              -0.00000412704089
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002227764206
                2s
                   +0 :              -0.00020490788916
                3s
                   +0 :               0.00001957818479
                2p
                   -1 :              -0.00001672137380
                   +0 :              -0.00011634769780
                   +1 :              -0.00003851582069
                3p
                   -1 :              -0.00011786232970
                   +0 :               0.00003179178884
                   +1 :               0.00008744505670
                3d
                   -2 :               0.00002641724312
                   -1 :               0.00000396742511
                   +0 :               0.00001404002401
                   +1 :               0.00000176299811
                   +2 :               0.00001091828902
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002180977458
                2s
                   +0 :               0.00019614721421
                3s
                   +0 :              -0.00002030793240
                2p
                   -1 :               0.00002832300748
                   +0 :              -0.00011759648246
                   +1 :               0.00004142108607
                3p
                   -1 :              -0.00013385318120
                   +0 :               0.00003233223976
                   +1 :               0.00005290727395
                3d
                   -2 :              -0.00002279728218
                   -1 :               0.00000007823625
                   +0 :              -0.00001425920179
                   +1 :               0.00000439804513
                   +2 :              -0.00001721796940
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001510922743
                2s
                   +0 :              -0.00014137483353
                3s
                   +0 :               0.00001936069485
                2p
                   -1 :               0.00014116240740
                   +0 :               0.00002198528628
                   +1 :               0.00010286671702
                3p
                   -1 :              -0.00019659976909
                   +0 :              -0.00003280933095
                   +1 :              -0.00015033391503
                3d
                   -2 :              -0.00001386172363
                   -1 :               0.00001139394097
                   +0 :               0.00001340706891
                   +1 :              -0.00000846688019
                   +2 :               0.00001065828149
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001191115150
                2s
                   +0 :               0.00011392640001
                3s
                   +0 :              -0.00001260173171
                2p
                   -1 :              -0.00002320774519
                   +0 :               0.00002173775909
                   +1 :              -0.00018607337976
                3p
                   -1 :               0.00003211209178
                   +0 :              -0.00003070897238
                   +1 :               0.00024999681411
                3d
                   -2 :              -0.00000241633264
                   -1 :              -0.00001232501116
                   +0 :              -0.00001333126078
                   +1 :               0.00000551839370
                   +2 :               0.00001748715448
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000002992040
                2s
                   +0 :               0.00000000234173
                3s
                   +0 :               0.00000040145470
                2p
                   -1 :              -0.00002489095809
                   +0 :               0.00004627237822
                   +1 :               0.00001582238316
                3p
                   -1 :               0.00001393220218
                   +0 :              -0.00004759431045
                   +1 :              -0.00000925325611
                3d
                   -2 :              -0.00000057307747
                   -1 :               0.00000299894528
                   +0 :              -0.00000001467537
                   +1 :               0.00000530653838
                   +2 :               0.00000084305277
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000044184624
                2s
                   +0 :              -0.00001986962687
                3s
                   +0 :              -0.00000118905619
                2p
                   -1 :               0.00000238116175
                   +0 :              -0.00002037920322
                   +1 :              -0.00001262439563
                3p
                   -1 :              -0.00000636586046
                   +0 :               0.00000620488639
                   +1 :               0.00002276380958
                3d
                   -2 :               0.00000359348659
                   -1 :              -0.00000059749343
                   +0 :              -0.00000068068355
                   +1 :              -0.00000097470456
                   +2 :              -0.00000169658948
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000058427128
                2s
                   +0 :               0.00001983465903
                3s
                   +0 :               0.00000036628743
                2p
                   -1 :               0.00001332045116
                   +0 :              -0.00002046667164
                   +1 :               0.00000591938199
                3p
                   -1 :              -0.00002334572248
                   +0 :               0.00000733606932
                   +1 :              -0.00000727355459
                3d
                   -2 :              -0.00000015605762
                   -1 :              -0.00000063770724
                   +0 :               0.00000080415921
                   +1 :              -0.00000113984825
                   +2 :              -0.00000408568937
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000315064239
                2s
                   +0 :               0.00000357194254
                3s
                   +0 :              -0.00001292817819
                2p
                   -1 :              -0.00002019896687
                   +0 :              -0.00000871443693
                   +1 :               0.00001504559746
                3p
                   -1 :               0.00000262328432
                   +0 :              -0.00000378723388
                   +1 :              -0.00001617387962
                3d
                   -2 :              -0.00000123294205
                   -1 :              -0.00000169153387
                   +0 :               0.00000339318815
                   +1 :               0.00000230646898
                   +2 :               0.00000267561214
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000370946705
                2s
                   +0 :              -0.00000902193572
                3s
                   +0 :               0.00001352461523
                2p
                   -1 :              -0.00002106972622
                   +0 :              -0.00000938830349
                   +1 :               0.00000510872558
                3p
                   -1 :               0.00001549681848
                   +0 :              -0.00000433138449
                   +1 :               0.00000768879820
                3d
                   -2 :              -0.00000155393592
                   -1 :               0.00000293325072
                   +0 :              -0.00000367450996
                   +1 :              -0.00000037237674
                   +2 :               0.00000244110315
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000012832089
                2s
                   +0 :              -0.00000187581025
                3s
                   +0 :              -0.00000019781395
                2p
                   -1 :               0.00000313926007
                   +0 :               0.00000365217125
                   +1 :              -0.00000228559339
                3p
                   -1 :              -0.00000680816953
                   +0 :              -0.00001284527349
                   +1 :               0.00000279617504
                3d
                   -2 :              -0.00000220261114
                   -1 :              -0.00000020344100
                   +0 :              -0.00000005034544
                   +1 :              -0.00000027199164
                   +2 :               0.00000375531619
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 21)  npairs=  12
              1 vec=     2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00030127018467
                2s
                   +0 :              -0.00338657024638
                3s
                   +0 :               0.00047564492838
                2p
                   -1 :               0.00198617243697
                   +0 :              -0.01066109808233
                   +1 :              -0.00027414127041
                3p
                   -1 :              -0.00328408819178
                   +0 :              -0.00340583242163
                   +1 :              -0.00048914418982
                3d
                   -2 :              -0.00032839870790
                   -1 :              -0.00184953036781
                   +0 :              -0.00006444748047
                   +1 :              -0.00089801790547
                   +2 :               0.00019163205879
              2 vec=    -5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00151123171001
                2s
                   +0 :              -0.00844435324515
                3s
                   +0 :               0.00410529821334
                2p
                   -1 :               0.00469519051265
                   +0 :              -0.00630799860597
                   +1 :               0.00731505776627
                3p
                   -1 :              -0.00367459328149
                   +0 :               0.00156197983053
                   +1 :              -0.00525348517339
                3d
                   -2 :               0.00027935380100
                   -1 :               0.00036622748223
                   +0 :              -0.00044600820590
                   +1 :               0.00085697481370
                   +2 :               0.00027199211058
              3 vec=     2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00182184329885
                2s
                   +0 :               0.01181923153326
                3s
                   +0 :              -0.00520444443475
                2p
                   -1 :              -0.00682662290929
                   +0 :              -0.00053267507563
                   +1 :               0.00407124044737
                3p
                   -1 :               0.00382104526820
                   +0 :              -0.00345096148529
                   +1 :              -0.00231276799492
                3d
                   -2 :               0.00026359911480
                   -1 :               0.00042870340116
                   +0 :               0.00026001858201
                   +1 :              -0.00050124960736
                   +2 :              -0.00018252937898
              4 vec=    -5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00002444038898
                2s
                   +0 :              -0.00060775906648
                3s
                   +0 :              -0.00017379757812
                2p
                   -1 :              -0.00131288117429
                   +0 :               0.00019345738343
                   +1 :               0.00065507461100
                3p
                   -1 :               0.00061430628546
                   +0 :              -0.00054782596450
                   +1 :              -0.00024778734803
                3d
                   -2 :               0.00002966065463
                   -1 :              -0.00006594606503
                   +0 :              -0.00011161632135
                   +1 :               0.00009279647413
                   +2 :              -0.00006133411941
              5 vec=    10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00001712131250
                2s
                   +0 :               0.00029325743121
                3s
                   +0 :               0.00008423551046
                2p
                   -1 :               0.00089225217055
                   +0 :              -0.00044055961290
                   +1 :               0.00108472606413
                3p
                   -1 :              -0.00079067774253
                   +0 :              -0.00002839450945
                   +1 :              -0.00056755359762
                3d
                   -2 :              -0.00006727051954
                   -1 :              -0.00000174783108
                   +0 :              -0.00003343627020
                   +1 :              -0.00002031880293
                   +2 :              -0.00005835785364
              6 vec=    -5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00018363896079
                2s
                   +0 :              -0.00084839248794
                3s
                   +0 :               0.00054343222873
                2p
                   -1 :               0.00071042526627
                   +0 :               0.00021852566547
                   +1 :               0.00039457513714
                3p
                   -1 :              -0.00071793438562
                   +0 :              -0.00050125112418
                   +1 :              -0.00044694821031
                3d
                   -2 :               0.00004106792969
                   -1 :               0.00004557722777
                   +0 :              -0.00001862181447
                   +1 :               0.00000353641065
                   +2 :              -0.00006153707336
              7 vec=     2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00006421967932
                2s
                   +0 :              -0.00044398708894
                3s
                   +0 :               0.00019497286017
                2p
                   -1 :              -0.00047343564432
                   +0 :              -0.00015573049310
                   +1 :               0.00009303469844
                3p
                   -1 :               0.00033747578230
                   +0 :               0.00004329625895
                   +1 :              -0.00006118623699
                3d
                   -2 :              -0.00000685460882
                   -1 :               0.00000865764929
                   +0 :               0.00001516072881
                   +1 :               0.00000281207704
                   +2 :              -0.00001994545472
              8 vec=    10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00002383023093
                2s
                   +0 :              -0.00014757833061
                3s
                   +0 :               0.00008502395879
                2p
                   -1 :               0.00033796932796
                   +0 :              -0.00041493137612
                   +1 :               0.00000670849780
                3p
                   -1 :              -0.00022509800855
                   +0 :               0.00027534496617
                   +1 :              -0.00000742188291
                3d
                   -2 :               0.00000866619287
                   -1 :               0.00000752462373
                   +0 :              -0.00001207746611
                   +1 :              -0.00001265086529
                   +2 :               0.00000109173726
              9 vec=   -13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00001322004938
                2s
                   +0 :              -0.00010734424746
                3s
                   +0 :               0.00002787397635
                2p
                   -1 :              -0.00018518735368
                   +0 :               0.00013456793354
                   +1 :              -0.00003054242548
                3p
                   -1 :               0.00015736203017
                   +0 :              -0.00013102890623
                   +1 :               0.00005864666799
                3d
                   -2 :              -0.00001432864082
                   -1 :               0.00001104492114
                   +0 :               0.00001881766989
                   +1 :               0.00000370952194
                   +2 :              -0.00000960827899
             10 vec=    10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005103278878
                2s
                   +0 :               0.00031939048554
                3s
                   +0 :              -0.00012652127178
                2p
                   -1 :              -0.00017555430444
                   +0 :               0.00013941595799
                   +1 :               0.00030106505888
                3p
                   -1 :               0.00012479636835
                   +0 :              -0.00015836331450
                   +1 :              -0.00018745996606
                3d
                   -2 :               0.00000252806494
                   -1 :               0.00000465586282
                   +0 :               0.00000489019115
                   +1 :               0.00000216443758
                   +2 :               0.00001142914219
             11 vec=   -13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000871684808
                2s
                   +0 :              -0.00001297443452
                3s
                   +0 :               0.00000907412378
                2p
                   -1 :               0.00003689795360
                   +0 :               0.00006261449988
                   +1 :              -0.00000405079062
                3p
                   -1 :              -0.00002430422494
                   +0 :              -0.00009266214124
                   +1 :              -0.00002250713240
                3d
                   -2 :              -0.00000685738676
                   -1 :               0.00000825112923
                   +0 :               0.00000497697560
                   +1 :              -0.00000239061867
                   +2 :              -0.00000455769802
             12 vec=     2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00002558986819
                2s
                   +0 :              -0.00015084546833
                3s
                   +0 :               0.00012266511157
                2p
                   -1 :               0.00016857480694
                   +0 :              -0.00006569934373
                   +1 :              -0.00029549931068
                3p
                   -1 :              -0.00016835436104
                   +0 :               0.00003789509328
                   +1 :               0.00021025416872
                3d
                   -2 :              -0.00000990320746
                   -1 :              -0.00000227685828
                   +0 :              -0.00002280501140
                   +1 :              -0.00001372238750
                   +2 :              -0.00000547320027
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 22)  npairs=  14
              1 vec=     0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005536344053
                2s
                   +0 :              -0.00004236289868
                3s
                   +0 :              -0.00027580378705
                2p
                   -1 :               0.00035679058851
                   +0 :              -0.00071923987328
                   +1 :              -0.00025978188146
                3p
                   -1 :              -0.00036836062688
                   +0 :               0.00067058708721
                   +1 :               0.00010433285703
                3d
                   -2 :               0.00001674681923
                   -1 :               0.00003961534097
                   +0 :              -0.00000047259911
                   +1 :              -0.00002943599869
                   +2 :              -0.00001647944775
              2 vec=     0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005721351532
                2s
                   +0 :               0.00015050088732
                3s
                   +0 :               0.00015586088676
                2p
                   -1 :              -0.00054315220283
                   +0 :               0.00012229072587
                   +1 :               0.00044626883983
                3p
                   -1 :               0.00023012247185
                   +0 :              -0.00007717654768
                   +1 :              -0.00035910858519
                3d
                   -2 :              -0.00004684438818
                   -1 :               0.00000589010774
                   +0 :              -0.00001429143884
                   +1 :               0.00000162431264
                   +2 :               0.00001430942196
              3 vec=     0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00007681206103
                2s
                   +0 :              -0.00121360175975
                3s
                   +0 :               0.00005371607146
                2p
                   -1 :               0.00032151631270
                   +0 :               0.00066080507157
                   +1 :               0.00049043022286
                3p
                   -1 :              -0.00005479523071
                   +0 :               0.00021191852381
                   +1 :              -0.00007164057718
                3d
                   -2 :              -0.00002905821717
                   -1 :              -0.00000653651043
                   +0 :              -0.00002924193823
                   +1 :              -0.00002964279661
                   +2 :              -0.00002592093570
              4 vec=     0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00010310337358
                2s
                   +0 :               0.00130486193485
                3s
                   +0 :              -0.00007850871373
                2p
                   -1 :              -0.00090607225682
                   +0 :               0.00111473009930
                   +1 :              -0.00057028973025
                3p
                   -1 :               0.00046196112804
                   +0 :               0.00002177643084
                   +1 :               0.00022596590902
                3d
                   -2 :               0.00002124457800
                   -1 :              -0.00001462796839
                   +0 :               0.00008031059742
                   +1 :              -0.00000400334324
                   +2 :               0.00001530646608
              5 vec=    -7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00005655644224
                2s
                   +0 :              -0.00045485454675
                3s
                   +0 :               0.00011452411322
                2p
                   -1 :               0.00004734421523
                   +0 :               0.00021843245559
                   +1 :               0.00007936250090
                3p
                   -1 :               0.00011860244685
                   +0 :              -0.00009776371235
                   +1 :               0.00002707488817
                3d
                   -2 :              -0.00000397345770
                   -1 :              -0.00002899814677
                   +0 :               0.00002353300888
                   +1 :               0.00001361915578
                   +2 :               0.00001785976796
              6 vec=    -7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00004852947825
                2s
                   +0 :               0.00059226637691
                3s
                   +0 :              -0.00008059477469
                2p
                   -1 :              -0.00060874720952
                   +0 :               0.00049375629370
                   +1 :              -0.00029038012157
                3p
                   -1 :               0.00017440137826
                   +0 :              -0.00015347435794
                   +1 :               0.00004305685865
                3d
                   -2 :               0.00000173967492
                   -1 :              -0.00001269046540
                   +0 :              -0.00000112897508
                   +1 :              -0.00000247483255
                   +2 :              -0.00000171862199
              7 vec=     7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002208659397
                2s
                   +0 :              -0.00030713066582
                3s
                   +0 :               0.00000233374837
                2p
                   -1 :               0.00025033883926
                   +0 :              -0.00016821173384
                   +1 :              -0.00001656362334
                3p
                   -1 :              -0.00008449903294
                   +0 :               0.00020857889648
                   +1 :              -0.00004337961271
                3d
                   -2 :               0.00001812600163
                   -1 :              -0.00003050308896
                   +0 :              -0.00001599516807
                   +1 :              -0.00003469687525
                   +2 :               0.00004385101973
              8 vec=     7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003941935363
                2s
                   +0 :               0.00046588304276
                3s
                   +0 :              -0.00014118264468
                2p
                   -1 :              -0.00014113772421
                   +0 :               0.00024431446123
                   +1 :               0.00009650265313
                3p
                   -1 :              -0.00010095139972
                   +0 :              -0.00017107190110
                   +1 :               0.00001426839428
                3d
                   -2 :              -0.00000361360243
                   -1 :              -0.00002018219992
                   +0 :              -0.00002174894647
                   +1 :               0.00001403949806
                   +2 :               0.00000190002795
              9 vec=    -7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002714027073
                2s
                   +0 :              -0.00023352282109
                3s
                   +0 :               0.00006785274999
                2p
                   -1 :              -0.00000850305062
                   +0 :               0.00000809926428
                   +1 :               0.00018069842778
                3p
                   -1 :              -0.00004515453376
                   +0 :               0.00005544347168
                   +1 :              -0.00011460339116
                3d
                   -2 :               0.00000213004368
                   -1 :               0.00000941027408
                   +0 :               0.00000027719075
                   +1 :               0.00000751725155
                   +2 :               0.00001360551980
             10 vec=    -7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000231844399
                2s
                   +0 :              -0.00000947470836
                3s
                   +0 :               0.00001230362027
                2p
                   -1 :               0.00002774570189
                   +0 :               0.00006593084160
                   +1 :              -0.00013712031160
                3p
                   -1 :               0.00001400240172
                   +0 :              -0.00002894673544
                   +1 :               0.00005082880082
                3d
                   -2 :               0.00000305984196
                   -1 :              -0.00000021125856
                   +0 :              -0.00000602707410
                   +1 :               0.00000669777295
                   +2 :              -0.00000281823539
             11 vec=     7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001160245615
                2s
                   +0 :               0.00011806984447
                3s
                   +0 :              -0.00000696004378
                2p
                   -1 :               0.00010595402927
                   +0 :               0.00003410207104
                   +1 :               0.00012819379378
                3p
                   -1 :              -0.00010438230432
                   +0 :               0.00003700818792
                   +1 :               0.00003609839638
                3d
                   -2 :               0.00000908036842
                   -1 :               0.00000405460322
                   +0 :              -0.00003353857024
                   +1 :              -0.00000833678490
                   +2 :               0.00002840369050
             12 vec=     7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000200081009
                2s
                   +0 :               0.00001518426772
                3s
                   +0 :               0.00003197347867
                2p
                   -1 :               0.00011075363200
                   +0 :              -0.00008955689353
                   +1 :              -0.00010941451975
                3p
                   -1 :              -0.00001432967983
                   +0 :               0.00012339480690
                   +1 :               0.00013479387784
                3d
                   -2 :               0.00001376479488
                   -1 :               0.00000312356155
                   +0 :               0.00001566226661
                   +1 :               0.00000436722620
                   +2 :              -0.00001106101774
             13 vec=     0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000782082480
                2s
                   +0 :              -0.00011311848885
                3s
                   +0 :               0.00002251284723
                2p
                   -1 :              -0.00019183838737
                   +0 :               0.00000657353492
                   +1 :               0.00001846289248
                3p
                   -1 :               0.00011723012958
                   +0 :              -0.00001683361136
                   +1 :              -0.00002677190249
                3d
                   -2 :              -0.00000613066388
                   -1 :              -0.00001023260151
                   +0 :               0.00000282704594
                   +1 :              -0.00000216718114
                   +2 :              -0.00000256997576
             14 vec=     0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000665591692
                2s
                   +0 :               0.00011200838532
                3s
                   +0 :               0.00002270084838
                2p
                   -1 :               0.00012441444343
                   +0 :              -0.00011563313512
                   +1 :               0.00005396811155
                3p
                   -1 :               0.00004228227357
                   +0 :               0.00009626680345
                   +1 :              -0.00000801389681
                3d
                   -2 :               0.00001068960166
                   -1 :               0.00000774555089
                   +0 :              -0.00000147931372
                   +1 :              -0.00000470693478
                   +2 :              -0.00000927870383
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 23)  npairs=  18
              1 vec=    -3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00005116762566
                2s
                   +0 :               0.00011685268533
                3s
                   +0 :              -0.00016368082698
                2p
                   -1 :              -0.00006940409911
                   +0 :               0.00026796156758
                   +1 :              -0.00018620292325
                3p
                   -1 :              -0.00005490349483
                   +0 :              -0.00030557319455
                   +1 :               0.00009188274401
                3d
                   -2 :              -0.00001483588451
                   -1 :              -0.00001248323925
                   +0 :               0.00001517197160
                   +1 :              -0.00001376721753
                   +2 :              -0.00000413275615
              2 vec=    -3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00007365164451
                2s
                   +0 :              -0.00020722533649
                3s
                   +0 :               0.00024650874983
                2p
                   -1 :               0.00031657869024
                   +0 :               0.00004263345351
                   +1 :               0.00038941805967
                3p
                   -1 :              -0.00027590481959
                   +0 :              -0.00003186497256
                   +1 :              -0.00029917555740
                3d
                   -2 :               0.00001077448192
                   -1 :               0.00001338747528
                   +0 :              -0.00001927508345
                   +1 :              -0.00003837112541
                   +2 :               0.00002667084759
              3 vec=     4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00011870790708
                2s
                   +0 :              -0.00139659607232
                3s
                   +0 :               0.00019859379875
                2p
                   -1 :              -0.00010389982908
                   +0 :               0.00054969195580
                   +1 :              -0.00013723334569
                3p
                   -1 :               0.00001880772660
                   +0 :               0.00016018894415
                   +1 :               0.00009189787536
                3d
                   -2 :               0.00001524870263
                   -1 :               0.00000537852770
                   +0 :               0.00000054550657
                   +1 :              -0.00001307950994
                   +2 :               0.00001754431618
              4 vec=     4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00008923969943
                2s
                   +0 :               0.00114440403883
                3s
                   +0 :              -0.00012945457183
                2p
                   -1 :               0.00033192195456
                   +0 :               0.00087330250985
                   +1 :              -0.00009788038865
                3p
                   -1 :              -0.00016308597707
                   +0 :              -0.00001016433671
                   +1 :               0.00019841454152
                3d
                   -2 :              -0.00002314286879
                   -1 :              -0.00001970764308
                   +0 :               0.00000247014239
                   +1 :               0.00001820638813
                   +2 :              -0.00001518509839
              5 vec=    -3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00006937848817
                2s
                   +0 :              -0.00066746276067
                3s
                   +0 :               0.00017738110277
                2p
                   -1 :              -0.00046264800058
                   +0 :               0.00039290238701
                   +1 :              -0.00034602125563
                3p
                   -1 :               0.00010452883019
                   +0 :              -0.00010041739258
                   +1 :               0.00019274850133
                3d
                   -2 :              -0.00000082230074
                   -1 :               0.00001703169114
                   +0 :               0.00000802321834
                   +1 :              -0.00000329655976
                   +2 :               0.00000853295054
              6 vec=    -3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00007297499138
                2s
                   +0 :               0.00119668328337
                3s
                   +0 :              -0.00012861715395
                2p
                   -1 :               0.00111553747217
                   +0 :               0.00122145865345
                   +1 :               0.00005712869614
                3p
                   -1 :              -0.00015522581637
                   +0 :              -0.00017300261966
                   +1 :               0.00006830506111
                3d
                   -2 :               0.00001142239285
                   -1 :               0.00002517800926
                   +0 :               0.00002735991677
                   +1 :               0.00000791551858
                   +2 :              -0.00002212019452
              7 vec=     4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00008181442489
                2s
                   +0 :              -0.00130152737823
                3s
                   +0 :               0.00011126997693
                2p
                   -1 :               0.00017967831721
                   +0 :               0.00074252569930
                   +1 :              -0.00051075675768
                3p
                   -1 :               0.00002911094409
                   +0 :              -0.00007587311092
                   +1 :               0.00006082622422
                3d
                   -2 :              -0.00000311451448
                   -1 :               0.00001792669622
                   +0 :              -0.00000305202647
                   +1 :               0.00003056878080
                   +2 :              -0.00002237494272
              8 vec=     4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004362510443
                2s
                   +0 :               0.00043758370844
                3s
                   +0 :              -0.00008227676114
                2p
                   -1 :               0.00025958468389
                   +0 :               0.00030512925953
                   +1 :               0.00045061815883
                3p
                   -1 :              -0.00024653748661
                   +0 :              -0.00005467807088
                   +1 :              -0.00009157487759
                3d
                   -2 :              -0.00002175312153
                   -1 :              -0.00000413229374
                   +0 :              -0.00002000680984
                   +1 :               0.00002117212583
                   +2 :              -0.00000022603231
              9 vec=   -10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002665840579
                2s
                   +0 :              -0.00023272656416
                3s
                   +0 :               0.00006882097345
                2p
                   -1 :              -0.00003844430267
                   +0 :               0.00009344798544
                   +1 :               0.00010045391263
                3p
                   -1 :               0.00003837931430
                   +0 :              -0.00005184602032
                   +1 :              -0.00001742769353
                3d
                   -2 :               0.00000344851264
                   -1 :              -0.00000389668328
                   +0 :               0.00000085354149
                   +1 :              -0.00000779899846
                   +2 :              -0.00000674974364
             10 vec=   -10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001699162026
                2s
                   +0 :               0.00014437234785
                3s
                   +0 :              -0.00006045805096
                2p
                   -1 :               0.00003584243513
                   +0 :               0.00002452302003
                   +1 :              -0.00014590471802
                3p
                   -1 :              -0.00000756782985
                   +0 :              -0.00002075185408
                   +1 :               0.00000507493805
                3d
                   -2 :               0.00000105426170
                   -1 :              -0.00000507102627
                   +0 :              -0.00000087984131
                   +1 :               0.00000233216426
                   +2 :              -0.00000149777717
             11 vec=    -3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001451043841
                2s
                   +0 :              -0.00006645252220
                3s
                   +0 :               0.00009359433703
                2p
                   -1 :               0.00002573825102
                   +0 :               0.00009182244711
                   +1 :              -0.00003740104468
                3p
                   -1 :              -0.00005439452504
                   +0 :              -0.00004684137200
                   +1 :               0.00003920210594
                3d
                   -2 :               0.00000795723203
                   -1 :               0.00001930826272
                   +0 :              -0.00001917101047
                   +1 :               0.00000106827264
                   +2 :              -0.00003991742461
             12 vec=    -3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000618807041
                2s
                   +0 :               0.00009911255831
                3s
                   +0 :              -0.00000752900002
                2p
                   -1 :              -0.00008610186926
                   +0 :              -0.00000945178065
                   +1 :               0.00014230413565
                3p
                   -1 :              -0.00001185001216
                   +0 :               0.00002576776531
                   +1 :              -0.00017972429929
                3d
                   -2 :               0.00001691435603
                   -1 :              -0.00000524893877
                   +0 :              -0.00000305136294
                   +1 :              -0.00001027117495
                   +2 :              -0.00000690505682
             13 vec=   -10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001981688477
                2s
                   +0 :              -0.00018606041706
                3s
                   +0 :               0.00005199225325
                2p
                   -1 :               0.00008881404451
                   +0 :               0.00007254861731
                   +1 :               0.00009285972835
                3p
                   -1 :              -0.00002763756023
                   +0 :              -0.00004242783698
                   +1 :              -0.00003509535397
                3d
                   -2 :               0.00000250199624
                   -1 :               0.00000306623690
                   +0 :               0.00000070258914
                   +1 :               0.00000192828212
                   +2 :              -0.00000357131467
             14 vec=   -10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002661613971
                2s
                   +0 :               0.00022878231301
                3s
                   +0 :              -0.00006828837541
                2p
                   -1 :              -0.00004816391292
                   +0 :               0.00006412318646
                   +1 :              -0.00014969956353
                3p
                   -1 :              -0.00001428622555
                   +0 :              -0.00004131634965
                   +1 :               0.00006265422332
                3d
                   -2 :               0.00000485876268
                   -1 :              -0.00000064883850
                   +0 :               0.00000032157612
                   +1 :               0.00000474166710
                   +2 :              -0.00000701351143
             15 vec=     4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000802514255
                2s
                   +0 :              -0.00008539760537
                3s
                   +0 :               0.00002952693147
                2p
                   -1 :              -0.00010331815104
                   +0 :              -0.00000482789961
                   +1 :               0.00000247580206
                3p
                   -1 :               0.00007813232228
                   +0 :               0.00000239824188
                   +1 :              -0.00002890683641
                3d
                   -2 :               0.00000121040050
                   -1 :              -0.00000692094372
                   +0 :              -0.00000223494448
                   +1 :               0.00000289919573
                   +2 :              -0.00000640745508
             16 vec=     4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001845087029
                2s
                   +0 :               0.00012358646812
                3s
                   +0 :              -0.00006086266607
                2p
                   -1 :               0.00008659795648
                   +0 :               0.00002796521394
                   +1 :               0.00012411312544
                3p
                   -1 :              -0.00006366820446
                   +0 :              -0.00003266479046
                   +1 :              -0.00005235937515
                3d
                   -2 :              -0.00000307420350
                   -1 :              -0.00000281716919
                   +0 :              -0.00000405397151
                   +1 :              -0.00000469722077
                   +2 :               0.00000162379951
             17 vec=    12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000827166036
                2s
                   +0 :              -0.00003044837179
                3s
                   +0 :               0.00004628949699
                2p
                   -1 :              -0.00000436757613
                   +0 :               0.00014010170138
                   +1 :              -0.00010035729868
                3p
                   -1 :              -0.00001662466433
                   +0 :              -0.00009650525773
                   +1 :               0.00010727890382
                3d
                   -2 :              -0.00000263288022
                   -1 :               0.00000238075260
                   +0 :               0.00000459437450
                   +1 :              -0.00000223393034
                   +2 :              -0.00000230139822
             18 vec=    12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000903889804
                2s
                   +0 :               0.00009453665506
                3s
                   +0 :              -0.00004192772306
                2p
                   -1 :              -0.00009018463697
                   +0 :               0.00001059952343
                   +1 :               0.00004911841621
                3p
                   -1 :               0.00008938467199
                   +0 :              -0.00000769119187
                   +1 :              -0.00001912026924
                3d
                   -2 :               0.00000610956439
                   -1 :               0.00000471820028
                   +0 :               0.00000509709620
                   +1 :              -0.00000789229256
                   +2 :              -0.00000161772269
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 24)  npairs=  14
              1 vec=     2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003137310368
                2s
                   +0 :              -0.00035453481948
                3s
                   +0 :              -0.00014727894107
                2p
                   -1 :              -0.00056337424229
                   +0 :               0.00005687913809
                   +1 :               0.00035728233890
                3p
                   -1 :               0.00032436530602
                   +0 :              -0.00004167497053
                   +1 :              -0.00004617300497
                3d
                   -2 :               0.00002591550405
                   -1 :              -0.00002058304236
                   +0 :               0.00001759146689
                   +1 :               0.00000408577963
                   +2 :               0.00002109105408
              2 vec=     2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00012020431974
                2s
                   +0 :              -0.00039083141572
                3s
                   +0 :               0.00043727949298
                2p
                   -1 :               0.00046974945966
                   +0 :              -0.00068697717114
                   +1 :              -0.00042650232777
                3p
                   -1 :              -0.00038264142654
                   +0 :               0.00071523943433
                   +1 :               0.00045799092153
                3d
                   -2 :               0.00000553104477
                   -1 :              -0.00002928763799
                   +0 :               0.00000144793238
                   +1 :               0.00001278556614
                   +2 :              -0.00000217895489
              3 vec=    -5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00004235517745
                2s
                   +0 :              -0.00094594359948
                3s
                   +0 :              -0.00012716955339
                2p
                   -1 :               0.00027333513551
                   +0 :               0.00035446420330
                   +1 :               0.00000155252520
                3p
                   -1 :              -0.00019595218665
                   +0 :               0.00035571033663
                   +1 :               0.00013557367894
                3d
                   -2 :               0.00001029931958
                   -1 :               0.00001322716308
                   +0 :              -0.00006016806867
                   +1 :              -0.00003125559937
                   +2 :              -0.00002905308704
              4 vec=    -5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00007232944954
                2s
                   +0 :               0.00121984628912
                3s
                   +0 :              -0.00005359791005
                2p
                   -1 :               0.00017802077300
                   +0 :               0.00096289980143
                   +1 :              -0.00025247774667
                3p
                   -1 :              -0.00019080054605
                   +0 :              -0.00001989877661
                   +1 :              -0.00010933759195
                3d
                   -2 :               0.00003319034007
                   -1 :              -0.00002460993658
                   +0 :               0.00002591714273
                   +1 :              -0.00004781094165
                   +2 :               0.00001388689765
              5 vec=    -5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003705751259
                2s
                   +0 :              -0.00047657477285
                3s
                   +0 :               0.00002251887563
                2p
                   -1 :              -0.00023430916245
                   +0 :               0.00027646841505
                   +1 :               0.00022769097312
                3p
                   -1 :               0.00013760491436
                   +0 :              -0.00007906545613
                   +1 :               0.00001123009945
                3d
                   -2 :               0.00001156559157
                   -1 :               0.00002361178672
                   +0 :               0.00000709212099
                   +1 :              -0.00002055331119
                   +2 :              -0.00000469692607
              6 vec=    -5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00005337144023
                2s
                   +0 :               0.00040816704627
                3s
                   +0 :              -0.00011057878508
                2p
                   -1 :              -0.00018750623758
                   +0 :               0.00013942889533
                   +1 :              -0.00001416531160
                3p
                   -1 :               0.00016647699089
                   +0 :              -0.00004316066226
                   +1 :              -0.00018267374157
                3d
                   -2 :              -0.00001516025914
                   -1 :               0.00002525663411
                   +0 :              -0.00002220235005
                   +1 :              -0.00001053771963
                   +2 :               0.00002626629191
              7 vec=     2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006198769409
                2s
                   +0 :              -0.00057464111833
                3s
                   +0 :               0.00019447702952
                2p
                   -1 :              -0.00004485746072
                   +0 :               0.00033041499696
                   +1 :               0.00031398483135
                3p
                   -1 :              -0.00008811765828
                   +0 :              -0.00025319389072
                   +1 :              -0.00014675652482
                3d
                   -2 :              -0.00000201750563
                   -1 :               0.00001403883629
                   +0 :               0.00001644548418
                   +1 :              -0.00002025517306
                   +2 :               0.00000646759054
              8 vec=     2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003886599524
                2s
                   +0 :               0.00050552122882
                3s
                   +0 :              -0.00001650426156
                2p
                   -1 :               0.00021855378572
                   +0 :              -0.00008035524968
                   +1 :              -0.00013361889098
                3p
                   -1 :               0.00008367641793
                   +0 :               0.00027701317096
                   +1 :               0.00003365244662
                3d
                   -2 :              -0.00002414363459
                   -1 :               0.00002172879599
                   +0 :               0.00002314560541
                   +1 :              -0.00001113254778
                   +2 :              -0.00001571183540
              9 vec=     2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002401216930
                2s
                   +0 :              -0.00021457710951
                3s
                   +0 :               0.00006230865274
                2p
                   -1 :               0.00022966985847
                   +0 :               0.00012841336236
                   +1 :              -0.00003016843033
                3p
                   -1 :              -0.00008140125003
                   +0 :              -0.00004004198141
                   +1 :               0.00000719792745
                3d
                   -2 :              -0.00000382490921
                   -1 :               0.00000206109798
                   +0 :               0.00000553833375
                   +1 :               0.00000187816048
                   +2 :              -0.00000464297449
             10 vec=     2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000598195656
                2s
                   +0 :              -0.00001217088280
                3s
                   +0 :               0.00000775915359
                2p
                   -1 :              -0.00017780633451
                   +0 :              -0.00004868718226
                   +1 :              -0.00009850870653
                3p
                   -1 :               0.00009081587745
                   +0 :               0.00008047376934
                   +1 :               0.00011736396788
                3d
                   -2 :              -0.00000963600223
                   -1 :               0.00000850431701
                   +0 :               0.00000835712016
                   +1 :               0.00001160697703
                   +2 :               0.00000841073961
             11 vec=    10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000277898298
                2s
                   +0 :              -0.00001883696941
                3s
                   +0 :              -0.00001843329320
                2p
                   -1 :               0.00003881063902
                   +0 :               0.00003039522741
                   +1 :              -0.00012387578119
                3p
                   -1 :              -0.00004736495009
                   +0 :               0.00006687092953
                   +1 :              -0.00002459815433
                3d
                   -2 :               0.00000491421911
                   -1 :               0.00000418279823
                   +0 :              -0.00002191178607
                   +1 :               0.00000807701974
                   +2 :              -0.00001284860905
             12 vec=    10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001301907470
                2s
                   +0 :               0.00010891009440
                3s
                   +0 :              -0.00003831046911
                2p
                   -1 :               0.00006173664623
                   +0 :               0.00011914250783
                   +1 :               0.00021908552783
                3p
                   -1 :              -0.00004870002318
                   +0 :              -0.00004599015297
                   +1 :              -0.00007570641835
                3d
                   -2 :               0.00000275482909
                   -1 :              -0.00000371291102
                   +0 :               0.00001766922221
                   +1 :              -0.00000191505695
                   +2 :              -0.00000248798719
             13 vec=    10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000401800624
                2s
                   +0 :               0.00000049124976
                3s
                   +0 :              -0.00003572456083
                2p
                   -1 :               0.00002029740936
                   +0 :              -0.00005016763319
                   +1 :              -0.00015863173944
                3p
                   -1 :               0.00002156915301
                   +0 :               0.00007501858152
                   +1 :              -0.00002438384163
                3d
                   -2 :               0.00000849308700
                   -1 :              -0.00001110453477
                   +0 :              -0.00000329625710
                   +1 :               0.00001349100741
                   +2 :              -0.00000747632565
             14 vec=    10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000032578294
                2s
                   +0 :               0.00002389329247
                3s
                   +0 :              -0.00000362119017
                2p
                   -1 :              -0.00010945739475
                   +0 :               0.00001904848412
                   +1 :               0.00013857581117
                3p
                   -1 :               0.00004087420796
                   +0 :              -0.00000853268363
                   +1 :              -0.00006147996337
                3d
                   -2 :               0.00000460888550
                   -1 :               0.00000319945029
                   +0 :               0.00000062990879
                   +1 :              -0.00000920113981
                   +2 :               0.00000608821280
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 25)  npairs=  15
              1 vec=     2.174296     -4.491580      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00028919278030
                2s
                   +0 :               0.00332156833867
                3s
                   +0 :              -0.00015495241768
                2p
                   -1 :              -0.00285112480837
                   +0 :               0.00363930668844
                   +1 :              -0.00354287726624
                3p
                   -1 :               0.00014045892092
                   +0 :              -0.00035407715256
                   +1 :               0.00174954805706
                3d
                   -2 :               0.00009181899046
                   -1 :              -0.00011075450712
                   +0 :               0.00002005544069
                   +1 :               0.00006140693447
                   +2 :              -0.00001145078701
              2 vec=     2.174296      4.492178      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00032284006923
                2s
                   +0 :               0.00245692444262
                3s
                   +0 :              -0.00033482994099
                2p
                   -1 :               0.00080866402819
                   +0 :               0.00348543557580
                   +1 :               0.00105477001333
                3p
                   -1 :              -0.00012706281443
                   +0 :              -0.00056879224997
                   +1 :               0.00136891918649
                3d
                   -2 :               0.00012713065373
                   -1 :               0.00003952835118
                   +0 :               0.00013837070586
                   +1 :               0.00034482191065
                   +2 :               0.00011660339621
              3 vec=    -5.605867      0.000299      8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00028192899076
                2s
                   +0 :               0.00270230968746
                3s
                   +0 :              -0.00003826414189
                2p
                   -1 :               0.00172739500163
                   +0 :               0.00143206415625
                   +1 :              -0.00210351906264
                3p
                   -1 :              -0.00037425433021
                   +0 :               0.00098777615849
                   +1 :               0.00016576833249
                3d
                   -2 :              -0.00007432678591
                   -1 :               0.00019166952767
                   +0 :               0.00011905082701
                   +1 :              -0.00005002652863
                   +2 :              -0.00002067022604
              4 vec=     9.954459      0.000299      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00011949832849
                2s
                   +0 :               0.00101943563540
                3s
                   +0 :              -0.00047277045302
                2p
                   -1 :              -0.00003541326991
                   +0 :              -0.00016713994977
                   +1 :               0.00062863653479
                3p
                   -1 :              -0.00023803999868
                   +0 :              -0.00006806524406
                   +1 :              -0.00047743893553
                3d
                   -2 :              -0.00004407748512
                   -1 :              -0.00003617947821
                   +0 :               0.00000146505349
                   +1 :              -0.00007079291899
                   +2 :              -0.00003320642911
              5 vec=    -5.605867     -8.983459      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00000977478990
                2s
                   +0 :               0.00019326557247
                3s
                   +0 :              -0.00000844279809
                2p
                   -1 :               0.00009412170588
                   +0 :              -0.00024936084899
                   +1 :              -0.00024271741428
                3p
                   -1 :              -0.00010291196596
                   +0 :               0.00020163348371
                   +1 :               0.00012237155017
                3d
                   -2 :              -0.00002143839981
                   -1 :               0.00000829314842
                   +0 :               0.00004077845875
                   +1 :              -0.00000280390746
                   +2 :              -0.00000947123391
              6 vec=    -5.605867      8.984057      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00004653296718
                2s
                   +0 :               0.00057802287204
                3s
                   +0 :              -0.00007601442793
                2p
                   -1 :               0.00027080547243
                   +0 :               0.00002378649913
                   +1 :              -0.00005875201833
                3p
                   -1 :               0.00005074638425
                   +0 :              -0.00006726720308
                   +1 :              -0.00002382793908
                3d
                   -2 :              -0.00000851488187
                   -1 :               0.00000446949435
                   +0 :              -0.00001160984598
                   +1 :               0.00002590582901
                   +2 :              -0.00000931918710
              7 vec=     9.954459     -8.983459      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00000975665584
                2s
                   +0 :               0.00012636622067
                3s
                   +0 :              -0.00001796165503
                2p
                   -1 :              -0.00015922801830
                   +0 :               0.00009663509580
                   +1 :               0.00016500405319
                3p
                   -1 :               0.00007070386997
                   +0 :              -0.00004762689288
                   +1 :              -0.00009189152196
                3d
                   -2 :               0.00000419609909
                   -1 :               0.00000465550912
                   +0 :              -0.00000997445730
                   +1 :               0.00000388825429
                   +2 :              -0.00000319836711
              8 vec=     9.954459      8.984057      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00003263242741
                2s
                   +0 :              -0.00019222602840
                3s
                   +0 :               0.00015135701523
                2p
                   -1 :              -0.00003917554476
                   +0 :              -0.00013003965748
                   +1 :              -0.00029906053376
                3p
                   -1 :               0.00011625595531
                   +0 :               0.00013547941137
                   +1 :               0.00026663862912
                3d
                   -2 :               0.00000186965647
                   -1 :               0.00001235009324
                   +0 :               0.00000350391053
                   +1 :               0.00001031450004
                   +2 :              -0.00001053822958
              9 vec=     2.174296    -13.475338      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00002060626643
                2s
                   +0 :              -0.00009860390180
                3s
                   +0 :               0.00009227421253
                2p
                   -1 :              -0.00002068916500
                   +0 :               0.00009399491029
                   +1 :               0.00001659413604
                3p
                   -1 :              -0.00003567339169
                   +0 :              -0.00006439429702
                   +1 :               0.00005141887018
                3d
                   -2 :              -0.00000741230705
                   -1 :               0.00001157910603
                   +0 :               0.00000366290039
                   +1 :              -0.00000364476991
                   +2 :              -0.00000284057541
             10 vec=     2.174296     13.475936      8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00000724127103
                2s
                   +0 :               0.00005623473173
                3s
                   +0 :              -0.00001418453436
                2p
                   -1 :               0.00003317709860
                   +0 :              -0.00004417664759
                   +1 :              -0.00008901017421
                3p
                   -1 :              -0.00003142171685
                   +0 :               0.00002906796073
                   +1 :               0.00009345177193
                3d
                   -2 :               0.00000600002562
                   -1 :               0.00000175411230
                   +0 :               0.00000295504316
                   +1 :              -0.00000346083896
                   +2 :               0.00000130600099
             11 vec=   -13.386029     -4.491580      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000906021722
                2s
                   +0 :               0.00006649468545
                3s
                   +0 :               0.00000318035994
                2p
                   -1 :              -0.00004660751343
                   +0 :              -0.00004557924870
                   +1 :              -0.00008300456675
                3p
                   -1 :               0.00003518057497
                   +0 :               0.00004574429608
                   +1 :               0.00002615955070
                3d
                   -2 :              -0.00000324325125
                   -1 :              -0.00000259357954
                   +0 :              -0.00000029003832
                   +1 :              -0.00000123233842
                   +2 :               0.00000502168279
             12 vec=   -13.386029      4.492178      8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000477046982
                2s
                   +0 :              -0.00001424832014
                3s
                   +0 :               0.00002995372715
                2p
                   -1 :               0.00003195747337
                   +0 :              -0.00012786309224
                   +1 :              -0.00004317847458
                3p
                   -1 :              -0.00001861127243
                   +0 :               0.00011669832060
                   +1 :              -0.00002277892036
                3d
                   -2 :               0.00000183546959
                   -1 :              -0.00000320804990
                   +0 :               0.00000734540061
                   +1 :              -0.00000696749608
                   +2 :               0.00000272372002
             13 vec=     2.174296     -4.491580    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00004030246397
                2s
                   +0 :              -0.00033665874829
                3s
                   +0 :               0.00008963080471
                2p
                   -1 :              -0.00009367079192
                   +0 :               0.00026551389624
                   +1 :              -0.00008018812664
                3p
                   -1 :               0.00005394287331
                   +0 :              -0.00011270295084
                   +1 :               0.00006263368995
                3d
                   -2 :              -0.00000341507304
                   -1 :               0.00000242277518
                   +0 :               0.00000516169786
                   +1 :              -0.00000539552017
                   +2 :              -0.00000226303141
             14 vec=     2.174296      4.492178    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00003000865255
                2s
                   +0 :              -0.00024182331560
                3s
                   +0 :               0.00006264473523
                2p
                   -1 :              -0.00021629338460
                   +0 :               0.00028190941109
                   +1 :              -0.00004852915375
                3p
                   -1 :               0.00013260709798
                   +0 :              -0.00015293379977
                   +1 :               0.00006399810232
                3d
                   -2 :               0.00000286419292
                   -1 :              -0.00000555021335
                   +0 :               0.00000117565700
                   +1 :              -0.00000588712460
                   +2 :               0.00000921997546
             15 vec=    -5.605867      0.000299    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00001143565663
                2s
                   +0 :              -0.00012644691299
                3s
                   +0 :               0.00000467445712
                2p
                   -1 :               0.00010335961213
                   +0 :               0.00006286464034
                   +1 :              -0.00002159589640
                3p
                   -1 :              -0.00002153748175
                   +0 :               0.00005329838882
                   +1 :               0.00003956355309
                3d
                   -2 :               0.00000160410861
                   -1 :              -0.00000311132198
                   +0 :              -0.00000626546369
                   +1 :              -0.00000397141003
                   +2 :               0.00000203321761
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 26)  npairs=  15
              1 vec=    -2.592869     -4.491580      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00017649026340
                2s
                   +0 :               0.00150595834359
                3s
                   +0 :               0.00013019325763
                2p
                   -1 :              -0.00038639019917
                   +0 :               0.00056176847694
                   +1 :               0.00216514988027
                3p
                   -1 :              -0.00112311780681
                   +0 :               0.00101712483199
                   +1 :              -0.00123587193647
                3d
                   -2 :              -0.00002048307615
                   -1 :              -0.00023367779735
                   +0 :               0.00004620318141
                   +1 :               0.00003373666422
                   +2 :              -0.00003932153501
              2 vec=    -2.592869      4.492178      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00056879844534
                2s
                   +0 :               0.00546589584732
                3s
                   +0 :              -0.00087425808572
                2p
                   -1 :               0.00160272119167
                   +0 :               0.00748358752739
                   +1 :              -0.00414759998496
                3p
                   -1 :              -0.00002016984295
                   +0 :              -0.00139907997416
                   +1 :               0.00086785208115
                3d
                   -2 :              -0.00012952457897
                   -1 :               0.00016171795032
                   +0 :               0.00018361462010
                   +1 :              -0.00025134697038
                   +2 :               0.00014169565193
              3 vec=     5.187294      0.000299      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00031855971523
                2s
                   +0 :               0.00314026827445
                3s
                   +0 :              -0.00053602906353
                2p
                   -1 :               0.00209735688616
                   +0 :               0.00241681057317
                   +1 :               0.00130650944731
                3p
                   -1 :               0.00010294133606
                   +0 :              -0.00048801393175
                   +1 :               0.00014468642857
                3d
                   -2 :               0.00010740721346
                   -1 :               0.00014922511927
                   +0 :              -0.00000154913728
                   +1 :               0.00011360261176
                   +2 :              -0.00002331000794
              4 vec=   -10.373032      0.000299      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00001232234931
                2s
                   +0 :               0.00040008147309
                3s
                   +0 :              -0.00004278901753
                2p
                   -1 :              -0.00033017470800
                   +0 :              -0.00040080894197
                   +1 :              -0.00021461814000
                3p
                   -1 :               0.00017720565843
                   +0 :               0.00015987203069
                   +1 :              -0.00002988786475
                3d
                   -2 :               0.00000217405021
                   -1 :               0.00002250480014
                   +0 :              -0.00003354640457
                   +1 :               0.00000748654944
                   +2 :               0.00002954325578
              5 vec=     5.187294     -8.983459      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000086375951
                2s
                   +0 :               0.00014287850765
                3s
                   +0 :               0.00005164485330
                2p
                   -1 :              -0.00002335964113
                   +0 :              -0.00041449633681
                   +1 :               0.00032376041184
                3p
                   -1 :               0.00005807289233
                   +0 :               0.00037485813354
                   +1 :              -0.00017119136724
                3d
                   -2 :               0.00001036818483
                   -1 :              -0.00001531125666
                   +0 :               0.00002915939167
                   +1 :              -0.00001723712676
                   +2 :               0.00000180489897
              6 vec=     5.187294      8.984057      8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00001556537710
                2s
                   +0 :               0.00003843864776
                3s
                   +0 :               0.00003464752306
                2p
                   -1 :               0.00008477939385
                   +0 :              -0.00038543564214
                   +1 :               0.00053271869990
                3p
                   -1 :               0.00007099183759
                   +0 :               0.00017487364307
                   +1 :              -0.00057092234428
                3d
                   -2 :              -0.00003509375236
                   -1 :              -0.00000718362220
                   +0 :               0.00002773858422
                   +1 :              -0.00003338968721
                   +2 :               0.00001249743937
              7 vec=   -10.373032     -8.983459      8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00000438801690
                2s
                   +0 :               0.00008376284567
                3s
                   +0 :              -0.00000485148932
                2p
                   -1 :              -0.00023125284944
                   +0 :               0.00000780770377
                   +1 :              -0.00006825647711
                3p
                   -1 :               0.00015451718276
                   +0 :               0.00000352796871
                   +1 :               0.00003088428848
                3d
                   -2 :              -0.00000441200695
                   -1 :               0.00000060645503
                   +0 :              -0.00000012518518
                   +1 :              -0.00000264572916
                   +2 :               0.00000570674430
              8 vec=    -2.592869    -13.475338      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001833651238
                2s
                   +0 :               0.00019324649801
                3s
                   +0 :              -0.00005597043504
                2p
                   -1 :              -0.00015848872231
                   +0 :               0.00015687237363
                   +1 :               0.00005831747959
                3p
                   -1 :               0.00005499941955
                   +0 :              -0.00012068752186
                   +1 :              -0.00010357234048
                3d
                   -2 :               0.00001414552599
                   -1 :               0.00002018581122
                   +0 :              -0.00000690143555
                   +1 :               0.00000782498718
                   +2 :               0.00001709338902
              9 vec=   -10.373032      8.984057      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000265606837
                2s
                   +0 :              -0.00002027705891
                3s
                   +0 :               0.00003241632182
                2p
                   -1 :               0.00008588461454
                   +0 :              -0.00007400790389
                   +1 :              -0.00006098235497
                3p
                   -1 :              -0.00002758240503
                   +0 :               0.00005276673876
                   +1 :               0.00002711702064
                3d
                   -2 :              -0.00000329459569
                   -1 :               0.00000301141953
                   +0 :               0.00001048192527
                   +1 :               0.00000184665357
                   +2 :               0.00000226740627
             10 vec=    -2.592869     13.475936      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000622058222
                2s
                   +0 :               0.00003691820997
                3s
                   +0 :              -0.00001164285332
                2p
                   -1 :               0.00009248443272
                   +0 :              -0.00002404762146
                   +1 :               0.00007281291690
                3p
                   -1 :              -0.00005786628701
                   +0 :               0.00000292819633
                   +1 :              -0.00006001535160
                3d
                   -2 :              -0.00000067173540
                   -1 :              -0.00000478090660
                   +0 :              -0.00000055704716
                   +1 :              -0.00000237655243
                   +2 :               0.00000008103211
             11 vec=    12.967456     -4.491580      8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00001092904175
                2s
                   +0 :              -0.00001784629780
                3s
                   +0 :               0.00002846086652
                2p
                   -1 :               0.00004618560992
                   +0 :               0.00010561046363
                   +1 :              -0.00004534799042
                3p
                   -1 :              -0.00003762434396
                   +0 :              -0.00007614057640
                   +1 :               0.00007579013298
                3d
                   -2 :               0.00000210451743
                   -1 :              -0.00000072685214
                   +0 :              -0.00000000887186
                   +1 :              -0.00000749078070
                   +2 :              -0.00000121215537
             12 vec=    12.967456      4.492178      8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00002765238140
                2s
                   +0 :              -0.00015046503178
                3s
                   +0 :               0.00011496326817
                2p
                   -1 :              -0.00013027539656
                   +0 :              -0.00000760007702
                   +1 :              -0.00018419838038
                3p
                   -1 :               0.00009027244789
                   +0 :               0.00002223412307
                   +1 :               0.00023207376871
                3d
                   -2 :              -0.00000013686961
                   -1 :              -0.00000553797004
                   +0 :              -0.00002515848430
                   +1 :               0.00001523702927
                   +2 :               0.00001870363113
             13 vec=    -2.592869     -4.491580    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000472024149
                2s
                   +0 :              -0.00006251943772
                3s
                   +0 :              -0.00001759098338
                2p
                   -1 :              -0.00013906460493
                   +0 :              -0.00000920542857
                   +1 :               0.00014378317960
                3p
                   -1 :               0.00007909270810
                   +0 :               0.00010568606672
                   +1 :              -0.00005643207103
                3d
                   -2 :               0.00000155900161
                   -1 :               0.00000217988591
                   +0 :              -0.00000511535919
                   +1 :               0.00000124846527
                   +2 :               0.00000553521132
             14 vec=    -2.592869      4.492178    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003741878909
                2s
                   +0 :              -0.00028133147195
                3s
                   +0 :               0.00009954407006
                2p
                   -1 :               0.00004109036845
                   +0 :               0.00013264739444
                   +1 :               0.00003832561994
                3p
                   -1 :              -0.00006308011870
                   +0 :              -0.00003872846530
                   +1 :              -0.00005605156462
                3d
                   -2 :               0.00000185972930
                   -1 :               0.00000712105406
                   +0 :               0.00000888066715
                   +1 :               0.00000785593994
                   +2 :               0.00000790287439
             15 vec=     5.187294      0.000299    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001662627992
                2s
                   +0 :              -0.00019976583051
                3s
                   +0 :               0.00001530036697
                2p
                   -1 :               0.00007116442506
                   +0 :               0.00014299481986
                   +1 :               0.00007439423575
                3p
                   -1 :              -0.00003702026904
                   +0 :               0.00000468611289
                   +1 :              -0.00011335113893
                3d
                   -2 :              -0.00000098703595
                   -1 :              -0.00000324960116
                   +0 :               0.00000027797340
                   +1 :               0.00000732014961
                   +2 :              -0.00000310878954
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 27)  npairs=  14
              1 vec=    -0.209286     -0.363094      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00033878600830
                2s
                   +0 :               0.00029050761805
                3s
                   +0 :              -0.00126949941713
                2p
                   -1 :              -0.00166913505514
                   +0 :               0.00391129478835
                   +1 :               0.00165268836391
                3p
                   -1 :               0.00102649793994
                   +0 :              -0.00371218653186
                   +1 :              -0.00083884674753
                3d
                   -2 :               0.00001502863783
                   -1 :              -0.00008836889639
                   +0 :              -0.00075666478205
                   +1 :               0.00010961854658
                   +2 :              -0.00011994021303
              2 vec=    -0.209286      8.620664      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00005307426860
                2s
                   +0 :              -0.00013793212788
                3s
                   +0 :               0.00014568762337
                2p
                   -1 :               0.00052051280668
                   +0 :               0.00050379958213
                   +1 :               0.00032092471237
                3p
                   -1 :              -0.00027598102561
                   +0 :              -0.00040426210394
                   +1 :              -0.00027569925502
                3d
                   -2 :              -0.00004520970394
                   -1 :              -0.00001390422430
                   +0 :              -0.00004211792420
                   +1 :              -0.00004281692464
                   +2 :               0.00002041758964
              3 vec=     7.570876      4.128785      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00024726899065
                2s
                   +0 :              -0.00105221158938
                3s
                   +0 :               0.00084352478229
                2p
                   -1 :               0.00124934288594
                   +0 :              -0.00122839512004
                   +1 :               0.00097936700716
                3p
                   -1 :              -0.00084122538542
                   +0 :               0.00095532249294
                   +1 :              -0.00044835565053
                3d
                   -2 :              -0.00004027013514
                   -1 :               0.00000867825474
                   +0 :               0.00004946634856
                   +1 :              -0.00004360672067
                   +2 :              -0.00002988609034
              4 vec=    -7.989449      4.128785      8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00002140538166
                2s
                   +0 :               0.00039366685316
                3s
                   +0 :               0.00014180047560
                2p
                   -1 :               0.00000783744034
                   +0 :              -0.00047940390837
                   +1 :              -0.00017629070112
                3p
                   -1 :               0.00017867482312
                   +0 :               0.00012151628735
                   +1 :              -0.00019197193036
                3d
                   -2 :              -0.00002952222432
                   -1 :               0.00001946959957
                   +0 :              -0.00004095992968
                   +1 :              -0.00001091940263
                   +2 :               0.00000204962619
              5 vec=     7.570876     -4.854973      8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00006366748592
                2s
                   +0 :               0.00046716218930
                3s
                   +0 :              -0.00026719228376
                2p
                   -1 :              -0.00071714574380
                   +0 :              -0.00014060988168
                   +1 :               0.00056070488691
                3p
                   -1 :               0.00046609210379
                   +0 :               0.00005237104549
                   +1 :              -0.00017179451019
                3d
                   -2 :               0.00002733351416
                   -1 :               0.00001244572449
                   +0 :               0.00002392045123
                   +1 :              -0.00001034037998
                   +2 :              -0.00002519334586
              6 vec=    -7.989449     -4.854973      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00002724827904
                2s
                   +0 :               0.00028527235493
                3s
                   +0 :              -0.00006103765963
                2p
                   -1 :              -0.00011599672336
                   +0 :              -0.00040592779654
                   +1 :              -0.00084630925551
                3p
                   -1 :              -0.00003512227943
                   +0 :               0.00044046005167
                   +1 :               0.00050527025577
                3d
                   -2 :              -0.00003278847404
                   -1 :               0.00000469461521
                   +0 :               0.00006143170764
                   +1 :              -0.00001998771594
                   +2 :              -0.00002088982635
              7 vec=    -0.209286     -9.346852      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00000777850618
                2s
                   +0 :               0.00055129888606
                3s
                   +0 :              -0.00002955505508
                2p
                   -1 :              -0.00088692862682
                   +0 :               0.00065258576225
                   +1 :               0.00007264820543
                3p
                   -1 :               0.00036830555865
                   +0 :              -0.00061301618223
                   +1 :              -0.00011146774667
                3d
                   -2 :               0.00003397836241
                   -1 :               0.00000913573037
                   +0 :              -0.00001163186492
                   +1 :              -0.00000024928702
                   +2 :              -0.00001690598259
              8 vec=    -0.209286     -0.363094    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00000144225792
                2s
                   +0 :              -0.00002143979773
                3s
                   +0 :              -0.00004396165305
                2p
                   -1 :               0.00010847027529
                   +0 :               0.00002246251411
                   +1 :              -0.00004972773831
                3p
                   -1 :              -0.00008828159902
                   +0 :               0.00005975529774
                   +1 :               0.00007422590792
                3d
                   -2 :               0.00000064109837
                   -1 :               0.00000497267942
                   +0 :              -0.00001625810427
                   +1 :              -0.00000090097208
                   +2 :              -0.00001078162612
              9 vec=     7.570876     13.112543      8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00000747287905
                2s
                   +0 :              -0.00004396911836
                3s
                   +0 :               0.00005659727738
                2p
                   -1 :               0.00002077960771
                   +0 :               0.00006120316405
                   +1 :               0.00006239248884
                3p
                   -1 :               0.00002200920250
                   +0 :              -0.00004160100283
                   +1 :              -0.00003882462642
                3d
                   -2 :               0.00000178169684
                   -1 :              -0.00000178380040
                   +0 :              -0.00000802024127
                   +1 :              -0.00000629057659
                   +2 :              -0.00000474938788
             10 vec=    -7.989449     13.112543      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00001551430422
                2s
                   +0 :               0.00013714215068
                3s
                   +0 :              -0.00002872686516
                2p
                   -1 :               0.00012786306332
                   +0 :               0.00000073199296
                   +1 :              -0.00006000868444
                3p
                   -1 :              -0.00005943173288
                   +0 :               0.00002916856311
                   +1 :              -0.00000126029214
                3d
                   -2 :              -0.00000284964743
                   -1 :               0.00000152923451
                   +0 :               0.00000114780745
                   +1 :              -0.00000182531384
                   +2 :               0.00000421334017
             11 vec=    15.351039     -0.363094      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000679522527
                2s
                   +0 :               0.00007557048309
                3s
                   +0 :              -0.00000979799697
                2p
                   -1 :               0.00010272619792
                   +0 :               0.00003010150038
                   +1 :              -0.00000347093912
                3p
                   -1 :              -0.00007695558653
                   +0 :               0.00000907116731
                   +1 :               0.00004501093361
                3d
                   -2 :              -0.00000322593228
                   -1 :               0.00000114411063
                   +0 :              -0.00000547242470
                   +1 :               0.00000664681919
                   +2 :               0.00000442766661
             12 vec=   -15.769612     -0.363094      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000122780678
                2s
                   +0 :               0.00004264228243
                3s
                   +0 :               0.00001848207011
                2p
                   -1 :               0.00001357110892
                   +0 :               0.00003060546211
                   +1 :              -0.00002948300190
                3p
                   -1 :               0.00000225887831
                   +0 :               0.00000995268782
                   +1 :              -0.00003304146767
                3d
                   -2 :              -0.00000511681203
                   -1 :               0.00000475535049
                   +0 :               0.00000331318669
                   +1 :              -0.00000710080611
                   +2 :               0.00000369179137
             13 vec=     7.570876    -13.838731      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00001343695912
                2s
                   +0 :               0.00009911381183
                3s
                   +0 :              -0.00002089106446
                2p
                   -1 :              -0.00000922391386
                   +0 :               0.00002089113178
                   +1 :               0.00001849470270
                3p
                   -1 :              -0.00003065884556
                   +0 :               0.00002896135144
                   +1 :              -0.00002372492693
                3d
                   -2 :               0.00000014005820
                   -1 :              -0.00000116985672
                   +0 :               0.00000210271262
                   +1 :              -0.00000205209500
                   +2 :              -0.00000170416497
             14 vec=    -7.989449    -13.838731      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000382698641
                2s
                   +0 :               0.00000337475054
                3s
                   +0 :               0.00001368665931
                2p
                   -1 :              -0.00001300326343
                   +0 :               0.00004445651868
                   +1 :               0.00003159427071
                3p
                   -1 :              -0.00001297476696
                   +0 :              -0.00003279501486
                   +1 :              -0.00003361731036
                3d
                   -2 :              -0.00000336793766
                   -1 :               0.00000265922428
                   +0 :              -0.00000156847369
                   +1 :              -0.00000120370147
                   +2 :              -0.00000147122397
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 28)  npairs=  14
              1 vec=    -2.593388     -1.738956     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00243694406765
                2s
                   +0 :              -0.05268369920601
                3s
                   +0 :               0.00374481066985
                2p
                   -1 :               0.01747939435164
                   +0 :               0.02527425343994
                   +1 :               0.01837038730169
                3p
                   -1 :              -0.00347551342862
                   +0 :              -0.00026453240916
                   +1 :               0.00046050993345
                3d
                   -2 :              -0.00135364495513
                   -1 :              -0.00213497998459
                   +0 :              -0.00097379837838
                   +1 :              -0.00211459178784
                   +2 :              -0.00006397123444
              2 vec=     5.186775      2.752923     -4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00226763717447
                2s
                   +0 :              -0.01625165221175
                3s
                   +0 :               0.00758630438413
                2p
                   -1 :              -0.00651006767584
                   +0 :               0.00575111748138
                   +1 :              -0.01369817318688
                3p
                   -1 :               0.00489039039864
                   +0 :              -0.00449782456433
                   +1 :               0.00968144656567
                3d
                   -2 :               0.00063157363547
                   -1 :              -0.00023740289905
                   +0 :              -0.00036635531299
                   +1 :              -0.00045898221131
                   +2 :               0.00042391122671
              3 vec=    -2.593388      7.244802     -4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00009082117999
                2s
                   +0 :              -0.00079218181144
                3s
                   +0 :              -0.00004467741038
                2p
                   -1 :              -0.00384898418071
                   +0 :              -0.00261007691683
                   +1 :               0.00379737082333
                3p
                   -1 :               0.00141136664244
                   +0 :               0.00052485236801
                   +1 :              -0.00150674879755
                3d
                   -2 :               0.00006970546407
                   -1 :              -0.00013366225386
                   +0 :               0.00012929749230
                   +1 :               0.00002920461112
                   +2 :               0.00002759634309
              4 vec=     5.186775     -6.230835     -4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00014793117011
                2s
                   +0 :              -0.00101566455115
                3s
                   +0 :               0.00012120235135
                2p
                   -1 :               0.00227313854302
                   +0 :              -0.00188742997040
                   +1 :               0.00002987942256
                3p
                   -1 :               0.00013461686970
                   +0 :               0.00052782895251
                   +1 :              -0.00089391837304
                3d
                   -2 :               0.00020938776509
                   -1 :               0.00002042612483
                   +0 :               0.00014496214964
                   +1 :              -0.00002932726593
                   +2 :               0.00002360485804
              5 vec=   -10.373550      2.752923     -4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00004482089396
                2s
                   +0 :              -0.00059034487023
                3s
                   +0 :               0.00018237212478
                2p
                   -1 :               0.00051872141281
                   +0 :              -0.00019155165382
                   +1 :               0.00064655321091
                3p
                   -1 :              -0.00057415553868
                   +0 :               0.00010749366998
                   +1 :              -0.00043245728150
                3d
                   -2 :               0.00001631838118
                   -1 :               0.00002151044296
                   +0 :              -0.00004651679582
                   +1 :               0.00003083292526
                   +2 :               0.00006980562854
              6 vec=    -2.593388    -10.722714     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00008228643497
                2s
                   +0 :              -0.00055301248931
                3s
                   +0 :               0.00026884367068
                2p
                   -1 :               0.00085539930787
                   +0 :              -0.00030963840951
                   +1 :              -0.00041433539298
                3p
                   -1 :              -0.00081685888024
                   +0 :               0.00014667766655
                   +1 :               0.00030683615842
                3d
                   -2 :               0.00003890441557
                   -1 :               0.00001166666182
                   +0 :              -0.00003320492294
                   +1 :              -0.00000581734309
                   +2 :              -0.00005316398211
              7 vec=   -10.373550     -6.230835     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00000760379519
                2s
                   +0 :              -0.00010154085529
                3s
                   +0 :              -0.00002763223737
                2p
                   -1 :              -0.00013631930115
                   +0 :               0.00030212101555
                   +1 :              -0.00010075664460
                3p
                   -1 :               0.00010159255184
                   +0 :              -0.00015682961668
                   +1 :               0.00019015243259
                3d
                   -2 :               0.00001735416146
                   -1 :              -0.00000896208488
                   +0 :               0.00000546174179
                   +1 :               0.00003302736840
                   +2 :               0.00002787986101
              8 vec=     5.186775     11.736681     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00002073585836
                2s
                   +0 :              -0.00039407416918
                3s
                   +0 :              -0.00005158096832
                2p
                   -1 :              -0.00017941409197
                   +0 :               0.00008465031200
                   +1 :               0.00004216455713
                3p
                   -1 :              -0.00014014589015
                   +0 :              -0.00007364278370
                   +1 :              -0.00018008897867
                3d
                   -2 :              -0.00003785839103
                   -1 :              -0.00001063471660
                   +0 :               0.00002453886700
                   +1 :              -0.00001804644077
                   +2 :               0.00002374052473
              9 vec=    12.966938     -1.738956     -4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00000436168676
                2s
                   +0 :              -0.00010782635018
                3s
                   +0 :              -0.00002222786340
                2p
                   -1 :               0.00023966150008
                   +0 :              -0.00017529752832
                   +1 :              -0.00009238261645
                3p
                   -1 :              -0.00016670897252
                   +0 :               0.00011740182532
                   +1 :               0.00001302345992
                3d
                   -2 :               0.00000160542560
                   -1 :               0.00000507635113
                   +0 :               0.00000356485997
                   +1 :               0.00000383963847
                   +2 :               0.00001667715176
             10 vec=    12.966938      7.244802     -4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00003045019462
                2s
                   +0 :              -0.00019722051516
                3s
                   +0 :               0.00004826424355
                2p
                   -1 :              -0.00008404418784
                   +0 :               0.00009388814848
                   +1 :              -0.00021139103782
                3p
                   -1 :               0.00004035573626
                   +0 :              -0.00008522945320
                   +1 :               0.00009504101416
                3d
                   -2 :              -0.00001042420390
                   -1 :               0.00000375927792
                   +0 :               0.00001238031954
                   +1 :              -0.00000939915717
                   +2 :              -0.00001503583849
             11 vec=   -10.373550     11.736681     -4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00000677804599
                2s
                   +0 :              -0.00005269648227
                3s
                   +0 :              -0.00001035010633
                2p
                   -1 :              -0.00001249876293
                   +0 :              -0.00002317978334
                   +1 :               0.00002237727918
                3p
                   -1 :              -0.00001049315382
                   +0 :               0.00001041037354
                   +1 :               0.00003278905523
                3d
                   -2 :              -0.00000279398140
                   -1 :               0.00000006750361
                   +0 :               0.00001022189290
                   +1 :              -0.00000720234137
                   +2 :              -0.00000762425137
             12 vec=     5.186775    -15.214593     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00001811529345
                2s
                   +0 :               0.00011588290552
                3s
                   +0 :              -0.00005495175284
                2p
                   -1 :              -0.00007099703635
                   +0 :               0.00002754613813
                   +1 :               0.00009875196100
                3p
                   -1 :               0.00006158209568
                   +0 :              -0.00004526965501
                   +1 :              -0.00007027467876
                3d
                   -2 :               0.00000140247606
                   -1 :               0.00000166308116
                   +0 :               0.00000549547494
                   +1 :               0.00000217522331
                   +2 :               0.00000126932520
             13 vec=    -2.593388     16.228560     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00000218747595
                2s
                   +0 :              -0.00001714358267
                3s
                   +0 :               0.00000142053996
                2p
                   -1 :               0.00000762522225
                   +0 :              -0.00008020346574
                   +1 :               0.00004666696189
                3p
                   -1 :              -0.00001448304516
                   +0 :               0.00006350039049
                   +1 :              -0.00005567389966
                3d
                   -2 :               0.00000210199074
                   -1 :              -0.00000032272203
                   +0 :              -0.00000433409712
                   +1 :               0.00000369178197
                   +2 :               0.00000408462933
             14 vec=    12.966938    -10.722714     -4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000409214179
                2s
                   +0 :              -0.00002743710752
                3s
                   +0 :               0.00000726486270
                2p
                   -1 :              -0.00004682951360
                   +0 :               0.00004125384121
                   +1 :              -0.00005809793985
                3p
                   -1 :               0.00001763114870
                   +0 :              -0.00005972193206
                   +1 :               0.00001849505932
                3d
                   -2 :              -0.00000162354386
                   -1 :              -0.00000008096605
                   +0 :               0.00000197081228
                   +1 :              -0.00000031530973
                   +2 :               0.00000093524170
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 29)  npairs=  14
              1 vec=     2.174815     -1.738956     -4.091257   |vec|=    4.948957
                1s
                   +0 :               0.00265202506192
                2s
                   +0 :              -0.08131849105135
                3s
                   +0 :               0.00477765288219
                2p
                   -1 :               0.02457829655910
                   +0 :               0.04398080407614
                   +1 :              -0.02773904584592
                3p
                   -1 :              -0.00268442965919
                   +0 :              -0.00608857418800
                   +1 :               0.00384064347787
                3d
                   -2 :               0.00215269003812
                   -1 :              -0.00107636068735
                   +0 :              -0.00098066225447
                   +1 :               0.00125226492740
                   +2 :              -0.00027716742476
              2 vec=    -5.605348      2.752923     -4.091257   |vec|=    7.465715
                1s
                   +0 :               0.00040405113256
                2s
                   +0 :              -0.00302309442980
                3s
                   +0 :               0.00145708143328
                2p
                   -1 :              -0.00323665300425
                   +0 :               0.00192548346050
                   +1 :               0.00185994535099
                3p
                   -1 :               0.00226003374438
                   +0 :              -0.00077365282291
                   +1 :              -0.00049174510182
                3d
                   -2 :              -0.00016827983501
                   -1 :              -0.00012537808081
                   +0 :              -0.00039641495950
                   +1 :               0.00005334976408
                   +2 :               0.00015233845033
              3 vec=     2.174815      7.244802     -4.091257   |vec|=    8.599730
                1s
                   +0 :               0.00024992071326
                2s
                   +0 :              -0.00110350516997
                3s
                   +0 :               0.00085784359921
                2p
                   -1 :              -0.00242079322354
                   +0 :              -0.00350640206313
                   +1 :              -0.00200036896518
                3p
                   -1 :               0.00201325849632
                   +0 :               0.00057992484476
                   +1 :              -0.00011098537187
                3d
                   -2 :              -0.00014967037073
                   -1 :              -0.00026852673515
                   +0 :               0.00000831924744
                   +1 :              -0.00004749469921
                   +2 :              -0.00013471571674
              4 vec=    -5.605348     -6.230835     -4.091257   |vec|=    9.326393
                1s
                   +0 :               0.00024023360889
                2s
                   +0 :              -0.00169695420835
                3s
                   +0 :               0.00055609308843
                2p
                   -1 :               0.00203830681297
                   +0 :               0.00038303148794
                   +1 :               0.00154135147431
                3p
                   -1 :              -0.00041407631539
                   +0 :              -0.00122866914663
                   +1 :              -0.00093280500355
                3d
                   -2 :              -0.00003475294352
                   -1 :               0.00012111865611
                   +0 :               0.00001501970861
                   +1 :               0.00010322926777
                   +2 :               0.00005738540192
              5 vec=     9.954977      2.752923     -4.091257   |vec|=   11.109390
                1s
                   +0 :              -0.00017428412139
                2s
                   +0 :               0.00073007154467
                3s
                   +0 :              -0.00040354547657
                2p
                   -1 :               0.00060694404019
                   +0 :               0.00091326337417
                   +1 :              -0.00116920640363
                3p
                   -1 :              -0.00052488987905
                   +0 :              -0.00101273030887
                   +1 :               0.00090589935255
                3d
                   -2 :               0.00000431556167
                   -1 :               0.00002415557881
                   +0 :              -0.00007991999772
                   +1 :              -0.00004930857522
                   +2 :               0.00012886222380
              6 vec=     2.174815    -10.722714     -4.091257   |vec|=   11.680959
                1s
                   +0 :               0.00005011566676
                2s
                   +0 :              -0.00028811939018
                3s
                   +0 :               0.00006631717365
                2p
                   -1 :               0.00047965276253
                   +0 :               0.00007331813790
                   +1 :               0.00025424562318
                3p
                   -1 :              -0.00051996936290
                   +0 :              -0.00016430638254
                   +1 :              -0.00017214518366
                3d
                   -2 :              -0.00001702509930
                   -1 :              -0.00003456689903
                   +0 :               0.00000652582716
                   +1 :               0.00000567919693
                   +2 :              -0.00001017832009
              7 vec=     9.954977     -6.230835     -4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00001895736367
                2s
                   +0 :              -0.00031223966306
                3s
                   +0 :               0.00003775609634
                2p
                   -1 :              -0.00031140917060
                   +0 :               0.00004721980543
                   +1 :              -0.00046070042676
                3p
                   -1 :               0.00010614542633
                   +0 :               0.00003595035819
                   +1 :               0.00027142137794
                3d
                   -2 :              -0.00000715060639
                   -1 :               0.00001371190975
                   +0 :              -0.00002433223438
                   +1 :              -0.00001512994684
                   +2 :              -0.00000882462242
              8 vec=    -5.605348     11.736681     -4.091257   |vec|=   13.634808
                1s
                   +0 :              -0.00000220576506
                2s
                   +0 :              -0.00027353461249
                3s
                   +0 :              -0.00017139788869
                2p
                   -1 :               0.00001826585081
                   +0 :               0.00002910791740
                   +1 :               0.00033264658246
                3p
                   -1 :              -0.00042972951958
                   +0 :               0.00007934041279
                   +1 :              -0.00000284856980
                3d
                   -2 :               0.00004379793617
                   -1 :               0.00002771340950
                   +0 :               0.00001256377626
                   +1 :              -0.00000813221431
                   +2 :               0.00003845085876
              9 vec=   -13.385510     -1.738956     -4.091257   |vec|=   14.104405
                1s
                   +0 :              -0.00000015012005
                2s
                   +0 :              -0.00010527787452
                3s
                   +0 :              -0.00005788282971
                2p
                   -1 :              -0.00012096943146
                   +0 :              -0.00005403304837
                   +1 :              -0.00000732992550
                3p
                   -1 :               0.00010838740621
                   +0 :               0.00004405186616
                   +1 :               0.00019039633451
                3d
                   -2 :              -0.00000881555131
                   -1 :               0.00001567444514
                   +0 :               0.00002868008588
                   +1 :              -0.00001112545694
                   +2 :              -0.00002170271314
             10 vec=   -13.385510      7.244802     -4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000260738644
                2s
                   +0 :              -0.00004722081767
                3s
                   +0 :              -0.00000431146746
                2p
                   -1 :              -0.00007919582369
                   +0 :               0.00001334223225
                   +1 :              -0.00000133552215
                3p
                   -1 :               0.00005000042162
                   +0 :              -0.00000703143548
                   +1 :               0.00007400537556
                3d
                   -2 :              -0.00000506460281
                   -1 :              -0.00000056987513
                   +0 :              -0.00000194698167
                   +1 :               0.00000351691912
                   +2 :              -0.00000313793699
             11 vec=     9.954977     11.736681     -4.091257   |vec|=   15.924498
                1s
                   +0 :               0.00005989992025
                2s
                   +0 :              -0.00037888098193
                3s
                   +0 :               0.00016407114520
                2p
                   -1 :              -0.00009026204010
                   +0 :               0.00017775556081
                   +1 :              -0.00009874848997
                3p
                   -1 :               0.00004471212487
                   +0 :              -0.00017127289913
                   +1 :               0.00003075230062
                3d
                   -2 :               0.00000324257704
                   -1 :              -0.00002172587132
                   +0 :               0.00001029274418
                   +1 :              -0.00001412640406
                   +2 :              -0.00000673043975
             12 vec=    -5.605348    -15.214593     -4.091257   |vec|=   16.722504
                1s
                   +0 :              -0.00002360860332
                2s
                   +0 :               0.00015117900775
                3s
                   +0 :              -0.00008223397706
                2p
                   -1 :              -0.00001229880392
                   +0 :              -0.00006726913198
                   +1 :              -0.00004506231435
                3p
                   -1 :               0.00002105272474
                   +0 :               0.00004360106906
                   +1 :               0.00001260119065
                3d
                   -2 :              -0.00000329920778
                   -1 :              -0.00000215227269
                   +0 :               0.00000188410098
                   +1 :               0.00000194095712
                   +2 :              -0.00000088477338
             13 vec=     2.174815     16.228560     -4.091257   |vec|=   16.877036
                1s
                   +0 :               0.00000923661988
                2s
                   +0 :              -0.00007762524004
                3s
                   +0 :               0.00001569687899
                2p
                   -1 :              -0.00001952639641
                   +0 :              -0.00006358440225
                   +1 :              -0.00004448551653
                3p
                   -1 :              -0.00002394234203
                   +0 :               0.00004682086524
                   +1 :               0.00004355794024
                3d
                   -2 :               0.00000205016612
                   -1 :               0.00000845135588
                   +0 :              -0.00000053743377
                   +1 :               0.00000567798182
                   +2 :               0.00000959647090
             14 vec=   -13.385510    -10.722714     -4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00000445716465
                2s
                   +0 :              -0.00004147374843
                3s
                   +0 :               0.00000778753974
                2p
                   -1 :              -0.00002858116934
                   +0 :              -0.00001316386625
                   +1 :               0.00004523512216
                3p
                   -1 :               0.00001855693667
                   +0 :               0.00000602704702
                   +1 :              -0.00001486146393
                3d
                   -2 :               0.00000323805177
                   -1 :              -0.00000007188432
                   +0 :              -0.00000033132510
                   +1 :               0.00000014038378
                   +2 :              -0.00000476642633
WF             site_B          number of pairs
WF( 28)=[O_8_2pz]  to site O ( 30)  npairs=  14
              1 vec=    -0.209286      3.115418     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00231003929541
                2s
                   +0 :              -0.05969282702663
                3s
                   +0 :               0.00342530240209
                2p
                   -1 :              -0.02564025684231
                   +0 :               0.02395479252520
                   +1 :              -0.00182009079306
                3p
                   -1 :              -0.00092337437586
                   +0 :               0.00297408278673
                   +1 :               0.00457152646610
                3d
                   -2 :               0.00007311507813
                   -1 :               0.00314947308707
                   +0 :              -0.00148449050867
                   +1 :               0.00042260802762
                   +2 :               0.00107651606861
              2 vec=    -0.209286     -5.868340     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00009932214403
                2s
                   +0 :               0.00160617639705
                3s
                   +0 :              -0.00051446560602
                2p
                   -1 :              -0.00011307675178
                   +0 :               0.00167310074511
                   +1 :              -0.00083592470377
                3p
                   -1 :               0.00095673158955
                   +0 :              -0.00124549203228
                   +1 :               0.00075569390204
                3d
                   -2 :              -0.00001521359941
                   -1 :               0.00018004757297
                   +0 :               0.00032252139873
                   +1 :              -0.00005818575414
                   +2 :              -0.00009657817494
              3 vec=     7.570876     -1.376461     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00027150780577
                2s
                   +0 :               0.00279774361710
                3s
                   +0 :              -0.00099279391776
                2p
                   -1 :              -0.00258460124723
                   +0 :              -0.00340414449932
                   +1 :               0.00069055440335
                3p
                   -1 :               0.00103693287894
                   +0 :               0.00079254215925
                   +1 :              -0.00083872816775
                3d
                   -2 :              -0.00005574910477
                   -1 :              -0.00016525469375
                   +0 :               0.00010352932502
                   +1 :              -0.00013757115157
                   +2 :              -0.00007333520718
              4 vec=    -7.989449     -1.376461     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00013670928705
                2s
                   +0 :               0.00065813134887
                3s
                   +0 :              -0.00054733737644
                2p
                   -1 :               0.00093175625904
                   +0 :              -0.00109320514253
                   +1 :               0.00245599545004
                3p
                   -1 :              -0.00142087136751
                   +0 :               0.00004594460410
                   +1 :              -0.00123981610300
                3d
                   -2 :               0.00015495902817
                   -1 :               0.00002051174680
                   +0 :              -0.00001313801568
                   +1 :               0.00013924690372
                   +2 :              -0.00004245290835
              5 vec=     7.570876      7.607297     -4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00024369287736
                2s
                   +0 :               0.00129951968600
                3s
                   +0 :              -0.00080556942812
                2p
                   -1 :               0.00119136561566
                   +0 :               0.00052467937580
                   +1 :               0.00015553595943
                3p
                   -1 :              -0.00113255428206
                   +0 :              -0.00052975921660
                   +1 :              -0.00024607018618
                3d
                   -2 :              -0.00003359589535
                   -1 :              -0.00002595049957
                   +0 :               0.00004560749910
                   +1 :              -0.00001354484264
                   +2 :               0.00006688403799
              6 vec=    -7.989449      7.607297     -4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00002601806306
                2s
                   +0 :              -0.00003330527630
                3s
                   +0 :              -0.00014342784693
                2p
                   -1 :              -0.00013875266343
                   +0 :              -0.00014656493848
                   +1 :               0.00018633999743
                3p
                   -1 :               0.00005819766565
                   +0 :               0.00006551721116
                   +1 :               0.00003461930475
                3d
                   -2 :               0.00001057855292
                   -1 :              -0.00000398827366
                   +0 :               0.00001976236172
                   +1 :              -0.00000138200399
                   +2 :               0.00000062164799
              7 vec=    -0.209286     12.099176     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00001612581349
                2s
                   +0 :              -0.00004608269131
                3s
                   +0 :              -0.00012741136589
                2p
                   -1 :               0.00030207399736
                   +0 :              -0.00006023735176
                   +1 :              -0.00028164932344
                3p
                   -1 :              -0.00030276104775
                   +0 :               0.00017703240167
                   +1 :               0.00011532615763
                3d
                   -2 :               0.00000525139986
                   -1 :               0.00001078356958
                   +0 :               0.00004119138708
                   +1 :               0.00003232714344
                   +2 :              -0.00000121831155
              8 vec=     7.570876    -10.360219     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00007367350367
                2s
                   +0 :              -0.00082969962642
                3s
                   +0 :               0.00018073096272
                2p
                   -1 :               0.00076143308336
                   +0 :              -0.00017495712436
                   +1 :              -0.00032899146148
                3p
                   -1 :              -0.00027048905533
                   +0 :               0.00010810129614
                   +1 :               0.00007577073362
                3d
                   -2 :               0.00003253925652
                   -1 :              -0.00002145134546
                   +0 :               0.00001836194761
                   +1 :              -0.00000494632709
                   +2 :              -0.00001457898594
              9 vec=    -7.989449    -10.360219     -4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00002047879030
                2s
                   +0 :              -0.00015070009153
                3s
                   +0 :              -0.00014833582373
                2p
                   -1 :               0.00043538861987
                   +0 :               0.00004525147902
                   +1 :               0.00020563516246
                3p
                   -1 :              -0.00009281683775
                   +0 :              -0.00007235721659
                   +1 :              -0.00004596721824
                3d
                   -2 :              -0.00001964894354
                   -1 :               0.00001687449577
                   +0 :               0.00000932871006
                   +1 :               0.00002780600015
                   +2 :               0.00000759587455
             10 vec=    -0.209286    -14.852098     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00004576589004
                2s
                   +0 :               0.00026157579707
                3s
                   +0 :              -0.00013258704616
                2p
                   -1 :              -0.00014320899549
                   +0 :              -0.00000329861263
                   +1 :               0.00005254657632
                3p
                   -1 :               0.00013836738915
                   +0 :              -0.00000887210424
                   +1 :              -0.00004770433803
                3d
                   -2 :               0.00000475192718
                   -1 :              -0.00000224235980
                   +0 :              -0.00000271328212
                   +1 :               0.00000233807520
                   +2 :               0.00000906177747
             11 vec=    15.351039      3.115418     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00000577497462
                2s
                   +0 :               0.00002664374827
                3s
                   +0 :              -0.00005636530426
                2p
                   -1 :              -0.00007371393154
                   +0 :              -0.00004214673694
                   +1 :               0.00020471757755
                3p
                   -1 :               0.00007520901589
                   +0 :               0.00002897493647
                   +1 :              -0.00025899745327
                3d
                   -2 :               0.00000781290409
                   -1 :              -0.00000140605659
                   +0 :               0.00000746966224
                   +1 :               0.00000607204544
                   +2 :              -0.00002747501427
             12 vec=   -15.769612      3.115418     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00000330342215
                2s
                   +0 :               0.00000513250629
                3s
                   +0 :              -0.00002278227489
                2p
                   -1 :               0.00011024715532
                   +0 :              -0.00004010791172
                   +1 :              -0.00008715850881
                3p
                   -1 :              -0.00009670455416
                   +0 :               0.00001493243475
                   +1 :               0.00011538147437
                3d
                   -2 :               0.00000296610249
                   -1 :              -0.00000176227384
                   +0 :               0.00000826835278
                   +1 :              -0.00000029293418
                   +2 :              -0.00000763050602
             13 vec=    15.351039     -5.868340     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00000918508721
                2s
                   +0 :              -0.00006706573080
                3s
                   +0 :               0.00002997727298
                2p
                   -1 :               0.00006224105744
                   +0 :               0.00004349858537
                   +1 :              -0.00001545336026
                3p
                   -1 :              -0.00003896948060
                   +0 :              -0.00004776228462
                   +1 :              -0.00002123984541
                3d
                   -2 :              -0.00000647996499
                   -1 :               0.00000747656428
                   +0 :               0.00000526009375
                   +1 :              -0.00000368459108
                   +2 :              -0.00000152983900
             14 vec=   -15.769612     -5.868340     -4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00000124219261
                2s
                   +0 :              -0.00000581922979
                3s
                   +0 :              -0.00001398851883
                2p
                   -1 :               0.00006942210563
                   +0 :              -0.00005010823646
                   +1 :               0.00000352980360
                3p
                   -1 :              -0.00004396697486
                   +0 :               0.00002954532933
                   +1 :               0.00001881677893
                3d
                   -2 :              -0.00000420417737
                   -1 :               0.00000179252055
                   +0 :              -0.00000307703373
                   +1 :               0.00000064704695
                   +2 :              -0.00000092740421
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al(  1)  npairs=  14
              1 vec=    -2.802674      1.376461     -5.671791   |vec|=    6.474477
                2s
                   +0 :               0.00199426529787
                2p
                   -1 :               0.00039837538057
                   +0 :              -0.00141869797698
                   +1 :              -0.00054840440525
                3s
                   +0 :              -0.00505767735366
                4s
                   +0 :               0.00275607505386
                3p
                   -1 :              -0.00190172592573
                   +0 :               0.00954197585371
                   +1 :               0.00145044102515
                4p
                   -1 :               0.00037082939884
                   +0 :              -0.00413476299295
                   +1 :              -0.00001148954643
                3d
                   -2 :               0.00058195219137
                   -1 :              -0.00002531074682
                   +0 :              -0.00284254909666
                   +1 :              -0.00155874962118
                   +2 :              -0.00144625890208
              2 vec=     4.977489     -3.115418     -5.671791   |vec|=    8.163972
                2s
                   +0 :               0.00005182711987
                2p
                   -1 :              -0.00028773761757
                   +0 :               0.00077906101269
                   +1 :              -0.00006819586062
                3s
                   +0 :               0.00407572682765
                4s
                   +0 :               0.00065092659950
                3p
                   -1 :               0.00134435523182
                   +0 :              -0.00247011907058
                   +1 :               0.00321782044284
                4p
                   -1 :              -0.00094167874545
                   +0 :               0.00093200510822
                   +1 :               0.00008361836942
                3d
                   -2 :              -0.00055474193679
                   -1 :              -0.00049406999085
                   +0 :              -0.00132849558074
                   +1 :              -0.00029374629546
                   +2 :               0.00169953103763
              3 vec=     4.977489      5.868340     -5.671791   |vec|=    9.559395
                2s
                   +0 :              -0.00005440416840
                2p
                   -1 :              -0.00046316676370
                   +0 :              -0.00003780323804
                   +1 :              -0.00075178986447
                3s
                   +0 :               0.00137977216828
                4s
                   +0 :              -0.00078027092474
                3p
                   -1 :               0.00208837210889
                   +0 :              -0.00011373351297
                   +1 :               0.00521111779982
                4p
                   -1 :              -0.00056761695040
                   +0 :               0.00004087797164
                   +1 :              -0.00162177996544
                3d
                   -2 :               0.00076366374429
                   -1 :              -0.00021502003150
                   +0 :               0.00011305998302
                   +1 :              -0.00085160077311
                   +2 :              -0.00016529812479
              4 vec=    -2.802674     -7.607297     -5.671791   |vec|=    9.894198
                2s
                   +0 :              -0.00111706425915
                2p
                   -1 :               0.00049598310564
                   +0 :               0.00033354728765
                   +1 :               0.00044000213876
                3s
                   +0 :               0.00326131013760
                4s
                   +0 :              -0.00110449318436
                3p
                   -1 :              -0.00236201448031
                   +0 :              -0.00108634586488
                   +1 :              -0.00217718182182
                4p
                   -1 :               0.00079599732181
                   +0 :               0.00011086019607
                   +1 :               0.00058412399720
                3d
                   -2 :               0.00049799041930
                   -1 :               0.00031755767724
                   +0 :              -0.00021001007942
                   +1 :               0.00045951354649
                   +2 :               0.00026269224660
              5 vec=    -2.802674     10.360219     -5.671791   |vec|=   12.139125
                2s
                   +0 :              -0.00009960293739
                2p
                   -1 :              -0.00004999038548
                   +0 :              -0.00005127895750
                   +1 :              -0.00011455577099
                3s
                   +0 :               0.00008385909340
                4s
                   +0 :               0.00010574750262
                3p
                   -1 :              -0.00006815629365
                   +0 :              -0.00007192011326
                   +1 :               0.00083717305534
                4p
                   -1 :               0.00013628570051
                   +0 :               0.00005174674135
                   +1 :              -0.00030327111721
                3d
                   -2 :               0.00020625933662
                   -1 :              -0.00009128947209
                   +0 :               0.00005665574699
                   +1 :              -0.00014006786000
                   +2 :              -0.00000446417483
              6 vec=   -10.582837     -3.115418     -5.671791   |vec|=   12.404494
                2s
                   +0 :              -0.00009531871484
                2p
                   -1 :              -0.00008754190871
                   +0 :               0.00003425537109
                   +1 :               0.00014081664032
                3s
                   +0 :              -0.00027654729723
                4s
                   +0 :              -0.00017557140045
                3p
                   -1 :               0.00093823037365
                   +0 :              -0.00009075261070
                   +1 :              -0.00018613077611
                4p
                   -1 :              -0.00015152569612
                   +0 :               0.00002314908507
                   +1 :               0.00018640769166
                3d
                   -2 :              -0.00021463589859
                   -1 :              -0.00008503226646
                   +0 :               0.00010791981993
                   +1 :               0.00012676716486
                   +2 :               0.00004106369329
              7 vec=   -10.582837      5.868340     -5.671791   |vec|=   13.364246
                2s
                   +0 :              -0.00018571088848
                2p
                   -1 :               0.00001577362479
                   +0 :               0.00000797819058
                   +1 :               0.00003658655350
                3s
                   +0 :               0.00062753320270
                4s
                   +0 :              -0.00019848172508
                3p
                   -1 :              -0.00004156347708
                   +0 :              -0.00003771830051
                   +1 :              -0.00033165340077
                4p
                   -1 :              -0.00002468165678
                   +0 :              -0.00005956764243
                   +1 :               0.00010913573185
                3d
                   -2 :               0.00009597239754
                   -1 :              -0.00006536649060
                   +0 :              -0.00005618066227
                   +1 :              -0.00004116229564
                   +2 :               0.00000071588912
              8 vec=    12.757651      1.376461     -5.671791   |vec|=   14.029310
                2s
                   +0 :               0.00024087048741
                2p
                   -1 :              -0.00001438361886
                   +0 :              -0.00006280277565
                   +1 :               0.00015263462675
                3s
                   +0 :              -0.00031212268895
                4s
                   +0 :               0.00001610207157
                3p
                   -1 :              -0.00013223396513
                   +0 :               0.00023232481840
                   +1 :              -0.00033280435067
                4p
                   -1 :               0.00002890193538
                   +0 :              -0.00005274700900
                   +1 :               0.00001198775316
                3d
                   -2 :              -0.00004086767090
                   -1 :               0.00002207049207
                   +0 :               0.00000500389664
                   +1 :               0.00017955991803
                   +2 :              -0.00005318340482
              9 vec=     4.977489    -12.099176     -5.671791   |vec|=   14.259546
                2s
                   +0 :              -0.00006395917686
                2p
                   -1 :              -0.00001586195458
                   +0 :              -0.00001894147216
                   +1 :               0.00004492692776
                3s
                   +0 :               0.00034889773395
                4s
                   +0 :              -0.00017862848239
                3p
                   -1 :              -0.00004147409891
                   +0 :               0.00009826855514
                   +1 :              -0.00030056960081
                4p
                   -1 :               0.00007130396458
                   +0 :               0.00002279173286
                   +1 :               0.00006503247550
                3d
                   -2 :               0.00015907259032
                   -1 :              -0.00011246443076
                   +0 :               0.00000148365208
                   +1 :               0.00000644931657
                   +2 :               0.00003146252298
             10 vec=    12.757651     -7.607297     -5.671791   |vec|=   15.899618
                2s
                   +0 :               0.00011385389813
                2p
                   -1 :              -0.00002893827524
                   +0 :               0.00002300504450
                   +1 :               0.00009334318094
                3s
                   +0 :              -0.00033346549919
                4s
                   +0 :               0.00013840275959
                3p
                   -1 :               0.00012592332837
                   +0 :              -0.00021939032085
                   +1 :              -0.00044439879252
                4p
                   -1 :              -0.00002318245357
                   +0 :               0.00009317609381
                   +1 :               0.00011661354428
                3d
                   -2 :               0.00005133873337
                   -1 :               0.00001401700493
                   +0 :               0.00004950326439
                   +1 :               0.00002837279270
                   +2 :              -0.00006701484046
             11 vec=     4.977489     14.852098     -5.671791   |vec|=   16.659215
                2s
                   +0 :               0.00003001958794
                2p
                   -1 :               0.00005806882298
                   +0 :              -0.00005521647628
                   +1 :               0.00000170731968
                3s
                   +0 :              -0.00004781242444
                4s
                   +0 :              -0.00000716605802
                3p
                   -1 :              -0.00024930439948
                   +0 :               0.00027727989271
                   +1 :               0.00001335365890
                4p
                   -1 :               0.00004611162052
                   +0 :              -0.00004439541587
                   +1 :              -0.00001697548977
                3d
                   -2 :              -0.00001698443292
                   -1 :               0.00010558551260
                   +0 :               0.00000097205683
                   +1 :               0.00002370739950
                   +2 :               0.00007882204881
             12 vec=   -10.582837    -12.099176     -5.671791   |vec|=   17.045694
                2s
                   +0 :              -0.00005073806809
                2p
                   -1 :              -0.00001023398577
                   +0 :               0.00000763145073
                   +1 :               0.00005101076733
                3s
                   +0 :               0.00006676328949
                4s
                   +0 :              -0.00005907326562
                3p
                   -1 :               0.00007226668705
                   +0 :               0.00000893006981
                   +1 :              -0.00022416331156
                4p
                   -1 :              -0.00001759929341
                   +0 :               0.00000085852196
                   +1 :               0.00007075475100
                3d
                   -2 :               0.00000766195582
                   -1 :              -0.00000293132998
                   +0 :              -0.00001112372146
                   +1 :               0.00002528879732
                   +2 :               0.00001172747621
             13 vec=    12.757651     10.360219     -5.671791   |vec|=   17.385656
                2s
                   +0 :              -0.00000864129840
                2p
                   -1 :              -0.00001318573701
                   +0 :               0.00000144793181
                   +1 :              -0.00002011948332
                3s
                   +0 :               0.00012281475559
                4s
                   +0 :              -0.00006907482072
                3p
                   -1 :               0.00009501204224
                   +0 :              -0.00004805120144
                   +1 :               0.00012635464856
                4p
                   -1 :              -0.00002790989372
                   +0 :               0.00002755281868
                   +1 :              -0.00005690786064
                3d
                   -2 :               0.00000497154042
                   -1 :              -0.00001125426292
                   +0 :               0.00002170697767
                   +1 :              -0.00000504468639
                   +2 :               0.00000851743634
             14 vec=    -2.802674    -16.591055     -5.671791   |vec|=   17.756331
                2s
                   +0 :               0.00000678704995
                2p
                   -1 :               0.00000241399851
                   +0 :               0.00000089541670
                   +1 :              -0.00000986339576
                3s
                   +0 :               0.00001142383312
                4s
                   +0 :              -0.00001133216676
                3p
                   -1 :              -0.00004377974360
                   +0 :              -0.00001345621796
                   +1 :               0.00002325216985
                4p
                   -1 :               0.00002046853848
                   +0 :               0.00001061745626
                   +1 :              -0.00000599398210
                3d
                   -2 :               0.00003586423159
                   -1 :               0.00000075742239
                   +0 :              -0.00000999783297
                   +1 :               0.00000817518470
                   +2 :              -0.00000688205868
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al(  2)  npairs=  14
              1 vec=    -2.802674      1.376461      1.580534   |vec|=    3.499674
                2s
                   +0 :              -0.03997154794064
                2p
                   -1 :              -0.02101160108392
                   +0 :              -0.02542339897593
                   +1 :               0.03188108300210
                3s
                   +0 :              -0.09896286481423
                4s
                   +0 :              -0.01262480190533
                3p
                   -1 :              -0.03437372427767
                   +0 :              -0.04668978422447
                   +1 :               0.05500620477555
                4p
                   -1 :              -0.01319860719288
                   +0 :              -0.01177083031015
                   +1 :               0.01594551555240
                3d
                   -2 :               0.03660695599642
                   -1 :              -0.03135420040829
                   +0 :              -0.00311613118741
                   +1 :               0.04433298665615
                   +2 :              -0.01019825844141
              2 vec=     4.977489     -3.115418      1.580534   |vec|=    6.081062
                2s
                   +0 :              -0.00423273345942
                2p
                   -1 :               0.00193392802978
                   +0 :              -0.00087476069309
                   +1 :              -0.00318087960909
                3s
                   +0 :               0.00786406659913
                4s
                   +0 :              -0.00615711675130
                3p
                   -1 :              -0.00430315472357
                   +0 :               0.00339067084876
                   +1 :               0.01092815738144
                4p
                   -1 :               0.00226722255057
                   +0 :              -0.00127781990807
                   +1 :              -0.00396687598960
                3d
                   -2 :              -0.00096085039698
                   -1 :              -0.00069461230345
                   +0 :              -0.00253008966731
                   +1 :               0.00175887688476
                   +2 :               0.00379737600343
              3 vec=     4.977489      5.868340      1.580534   |vec|=    7.855629
                2s
                   +0 :              -0.00021713693909
                2p
                   -1 :              -0.00057131876352
                   +0 :               0.00047219688391
                   +1 :              -0.00005862612724
                3s
                   +0 :               0.00629197301378
                4s
                   +0 :              -0.00009212200335
                3p
                   -1 :              -0.00094700114705
                   +0 :               0.00222632425006
                   +1 :               0.00364955736516
                4p
                   -1 :              -0.00017803301088
                   +0 :               0.00024728267575
                   +1 :              -0.00009155317781
                3d
                   -2 :              -0.00049704492621
                   -1 :              -0.00046390504708
                   +0 :               0.00069469902662
                   +1 :               0.00101288873307
                   +2 :               0.00210034833497
              4 vec=    -2.802674     -7.607297      1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00001638186714
                2p
                   -1 :               0.00035264605594
                   +0 :              -0.00023855810474
                   +1 :               0.00019371988236
                3s
                   +0 :              -0.00463200846436
                4s
                   +0 :               0.00006841563561
                3p
                   -1 :               0.00127014089413
                   +0 :              -0.00222511506068
                   +1 :              -0.00323264448324
                4p
                   -1 :               0.00054530952901
                   +0 :              -0.00006386358495
                   +1 :               0.00023227898784
                3d
                   -2 :               0.00110365296256
                   -1 :               0.00167687563639
                   +0 :              -0.00038608025076
                   +1 :              -0.00087403687373
                   +2 :               0.00017201810617
              5 vec=    -2.802674     10.360219      1.580534   |vec|=   10.848374
                2s
                   +0 :               0.00031712707395
                2p
                   -1 :               0.00032356814460
                   +0 :              -0.00023900575400
                   +1 :              -0.00019089414628
                3s
                   +0 :               0.00000548365831
                4s
                   +0 :               0.00010898588145
                3p
                   -1 :              -0.00109183191898
                   +0 :               0.00103570187444
                   +1 :              -0.00011103110614
                4p
                   -1 :               0.00015037648635
                   +0 :              -0.00005353655004
                   +1 :              -0.00019504638771
                3d
                   -2 :               0.00063439544448
                   -1 :              -0.00005316382168
                   +0 :               0.00011388149717
                   +1 :              -0.00029461104220
                   +2 :               0.00046911791549
              6 vec=   -10.582837     -3.115418      1.580534   |vec|=   11.144521
                2s
                   +0 :               0.00020629015416
                2p
                   -1 :              -0.00029635308524
                   +0 :               0.00010913619668
                   +1 :              -0.00007156824883
                3s
                   +0 :              -0.00205259325305
                4s
                   +0 :               0.00103100597590
                3p
                   -1 :               0.00196232455688
                   +0 :              -0.00101669611120
                   +1 :               0.00154798292508
                4p
                   -1 :              -0.00058667185123
                   +0 :               0.00020261896986
                   +1 :              -0.00046925505055
                3d
                   -2 :              -0.00087804977022
                   -1 :               0.00030005123187
                   +0 :               0.00023203465808
                   +1 :               0.00046050176434
                   +2 :               0.00031090694327
              7 vec=   -10.582837      5.868340      1.580534   |vec|=   12.203767
                2s
                   +0 :               0.00020910287563
                2p
                   -1 :              -0.00000484803387
                   +0 :               0.00011421887904
                   +1 :              -0.00017548181535
                3s
                   +0 :              -0.00083302124949
                4s
                   +0 :               0.00003655245959
                3p
                   -1 :               0.00003525552005
                   +0 :              -0.00076027128027
                   +1 :               0.00112867743427
                4p
                   -1 :              -0.00011043185501
                   +0 :               0.00005370974682
                   +1 :              -0.00028029591721
                3d
                   -2 :               0.00005711021209
                   -1 :              -0.00011923234100
                   +0 :               0.00013256944617
                   +1 :               0.00007179645815
                   +2 :              -0.00025413076755
              8 vec=    12.757651      1.376461      1.580534   |vec|=   12.928666
                2s
                   +0 :              -0.00020306385338
                2p
                   -1 :               0.00015888549915
                   +0 :               0.00019395339868
                   +1 :               0.00016040113848
                3s
                   +0 :               0.00260493361609
                4s
                   +0 :              -0.00031823479379
                3p
                   -1 :               0.00088759705946
                   +0 :               0.00076090790184
                   +1 :              -0.00004985992069
                4p
                   -1 :               0.00014229419025
                   +0 :               0.00004092974122
                   +1 :               0.00013076000286
                3d
                   -2 :               0.00025437564131
                   -1 :               0.00065365866975
                   +0 :               0.00026125801599
                   +1 :               0.00025024328478
                   +2 :              -0.00055293172558
              9 vec=     4.977489    -12.099176      1.580534   |vec|=   13.178146
                2s
                   +0 :               0.00018861198168
                2p
                   -1 :              -0.00005649710222
                   +0 :               0.00002241779120
                   +1 :              -0.00002554642888
                3s
                   +0 :               0.00029535583365
                4s
                   +0 :               0.00006487987021
                3p
                   -1 :              -0.00040243697796
                   +0 :               0.00050397168627
                   +1 :              -0.00004487373782
                4p
                   -1 :               0.00001901623903
                   +0 :              -0.00001704015237
                   +1 :              -0.00002419353276
                3d
                   -2 :               0.00002043086365
                   -1 :              -0.00018921652754
                   +0 :               0.00003079907556
                   +1 :              -0.00001660570589
                   +2 :              -0.00016159898013
             10 vec=    12.757651     -7.607297      1.580534   |vec|=   14.937427
                2s
                   +0 :              -0.00019768878972
                2p
                   -1 :               0.00000763077595
                   +0 :               0.00002363898332
                   +1 :              -0.00005918438712
                3s
                   +0 :               0.00109511194398
                4s
                   +0 :              -0.00031612376017
                3p
                   -1 :              -0.00028268214708
                   +0 :               0.00007741713098
                   +1 :               0.00039170995342
                4p
                   -1 :               0.00006830794438
                   +0 :               0.00003570279372
                   +1 :              -0.00011997894507
                3d
                   -2 :              -0.00001647615470
                   -1 :              -0.00003563437613
                   +0 :               0.00004113726687
                   +1 :              -0.00001362158884
                   +2 :              -0.00000849076204
             11 vec=     4.977489     14.852098      1.580534   |vec|=   15.743516
                2s
                   +0 :              -0.00008999483163
                2p
                   -1 :              -0.00005450452933
                   +0 :              -0.00003599095921
                   +1 :              -0.00005693398586
                3s
                   +0 :               0.00027627863266
                4s
                   +0 :              -0.00011859093481
                3p
                   -1 :               0.00027003611678
                   +0 :               0.00021846211359
                   +1 :               0.00017601854229
                4p
                   -1 :              -0.00006036767313
                   +0 :              -0.00005857842161
                   +1 :              -0.00002206153718
                3d
                   -2 :               0.00000670642286
                   -1 :               0.00009527625295
                   +0 :              -0.00005486067711
                   +1 :               0.00001030007498
                   +2 :              -0.00006821502115
             12 vec=   -10.582837    -12.099176      1.580534   |vec|=   16.151921
                2s
                   +0 :               0.00006661342533
                2p
                   -1 :              -0.00001988546230
                   +0 :              -0.00000947456039
                   +1 :               0.00001949304257
                3s
                   +0 :              -0.00032395181218
                4s
                   +0 :               0.00004024183957
                3p
                   -1 :               0.00013357426020
                   +0 :              -0.00003693585990
                   +1 :              -0.00021238802895
                4p
                   -1 :              -0.00001481830151
                   +0 :              -0.00000016875694
                   +1 :               0.00007021853041
                3d
                   -2 :               0.00003272846621
                   -1 :               0.00004189128321
                   +0 :              -0.00000773778015
                   +1 :              -0.00004139709874
                   +2 :               0.00006932073336
             13 vec=    12.757651     10.360219      1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00008056412805
                2p
                   -1 :               0.00001461168825
                   +0 :              -0.00001219681140
                   +1 :              -0.00002964342818
                3s
                   +0 :               0.00047066681029
                4s
                   +0 :              -0.00007265977701
                3p
                   -1 :              -0.00002538403268
                   +0 :               0.00018808473162
                   +1 :               0.00022233171562
                4p
                   -1 :              -0.00000000253490
                   +0 :              -0.00000551213757
                   +1 :              -0.00001697308914
                3d
                   -2 :               0.00000195230556
                   -1 :               0.00000144956862
                   +0 :               0.00002035366159
                   +1 :               0.00011312712170
                   +2 :               0.00002541422513
             14 vec=    -2.802674    -16.591055      1.580534   |vec|=   16.900182
                2s
                   +0 :              -0.00001045456250
                2p
                   -1 :              -0.00000674906193
                   +0 :              -0.00000789970480
                   +1 :              -0.00002689593747
                3s
                   +0 :              -0.00002349447045
                4s
                   +0 :               0.00001947055169
                3p
                   -1 :               0.00007869677450
                   +0 :               0.00003889402232
                   +1 :               0.00018124565538
                4p
                   -1 :              -0.00003129974356
                   +0 :              -0.00001458139366
                   +1 :              -0.00002635043973
                3d
                   -2 :              -0.00004455065521
                   -1 :              -0.00001265383785
                   +0 :               0.00000199349835
                   +1 :               0.00004093250119
                   +2 :               0.00001788423846
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Cr(  3)  npairs=  15
              1 vec=    -2.802674      1.376461    -10.693237   |vec|=   11.139791
                3s
                   +0 :               0.00051692641804
                3p
                   -1 :               0.00017190004484
                   +0 :              -0.00001365310640
                   +1 :               0.00000754106058
                4s
                   +0 :              -0.00069433783673
                5s
                   +0 :              -0.00004348494459
                3d
                   -2 :               0.00046699251514
                   -1 :              -0.00004366953779
                   +0 :              -0.00051478627609
                   +1 :              -0.00064371581782
                   +2 :               0.00041777519239
                4d
                   -2 :              -0.00003144722883
                   -1 :               0.00027626632328
                   +0 :               0.00043278366791
                   +1 :              -0.00010354915349
                   +2 :              -0.00014978864169
                4p
                   -1 :              -0.00039866139344
                   +0 :              -0.00002590404516
                   +1 :               0.00032294895838
              2 vec=     4.977489     -3.115418    -10.693237   |vec|=   12.199448
                3s
                   +0 :              -0.00037338514445
                3p
                   -1 :               0.00014765018655
                   +0 :               0.00015905547494
                   +1 :              -0.00013211362222
                4s
                   +0 :               0.00030024514325
                5s
                   +0 :               0.00005715115151
                3d
                   -2 :              -0.00018888770551
                   -1 :               0.00017552647782
                   +0 :               0.00059246447063
                   +1 :               0.00005412645851
                   +2 :               0.00002743965067
                4d
                   -2 :              -0.00014587872986
                   -1 :               0.00007938073102
                   +0 :              -0.00004114224696
                   +1 :              -0.00003902708651
                   +2 :              -0.00001422934574
                4p
                   -1 :              -0.00037463542909
                   +0 :              -0.00028264755099
                   +1 :               0.00012330749768
              3 vec=     4.977489      5.868340    -10.693237   |vec|=   13.174146
                3s
                   +0 :               0.00046759117684
                3p
                   -1 :               0.00034369177008
                   +0 :              -0.00027156872284
                   +1 :               0.00020717744548
                4s
                   +0 :              -0.00059876065964
                5s
                   +0 :               0.00002136358730
                3d
                   -2 :               0.00017647672227
                   -1 :              -0.00040326089983
                   +0 :               0.00015380587824
                   +1 :              -0.00034584318953
                   +2 :              -0.00002273885401
                4d
                   -2 :               0.00001740701900
                   -1 :               0.00030835295439
                   +0 :              -0.00007386037022
                   +1 :              -0.00007128701851
                   +2 :               0.00015285127989
                4p
                   -1 :              -0.00058047367253
                   +0 :               0.00031376211749
                   +1 :              -0.00016459920230
              4 vec=    -2.802674     -7.607297    -10.693237   |vec|=   13.419063
                3s
                   +0 :               0.00023406111996
                3p
                   -1 :              -0.00029275541486
                   +0 :              -0.00025771592122
                   +1 :               0.00003275797922
                4s
                   +0 :               0.00038301145817
                5s
                   +0 :              -0.00003703924810
                3d
                   -2 :              -0.00002829055649
                   -1 :               0.00070730025134
                   +0 :              -0.00002051396589
                   +1 :               0.00001836283359
                   +2 :              -0.00036478770659
                4d
                   -2 :               0.00007774458565
                   -1 :               0.00004334123547
                   +0 :              -0.00002403131853
                   +1 :               0.00006224379858
                   +2 :              -0.00015131564632
                4p
                   -1 :              -0.00000762661573
                   +0 :              -0.00006893275212
                   +1 :              -0.00013012247805
              5 vec=    -2.802674      1.376461     13.854306   |vec|=   14.201810
                3s
                   +0 :               0.00023492755989
                3p
                   -1 :               0.00002063267268
                   +0 :               0.00005901170383
                   +1 :              -0.00007846224587
                4s
                   +0 :              -0.00035717976579
                5s
                   +0 :               0.00001705867574
                3d
                   -2 :              -0.00000950947762
                   -1 :               0.00009412576337
                   +0 :              -0.00012294848330
                   +1 :               0.00008047562665
                   +2 :              -0.00010797120640
                4d
                   -2 :              -0.00000201000780
                   -1 :               0.00000012569629
                   +0 :               0.00000869811559
                   +1 :              -0.00002381026781
                   +2 :               0.00000067481367
                4p
                   -1 :              -0.00002908148177
                   +0 :              -0.00010534809871
                   +1 :               0.00013441835286
              6 vec=     4.977489     -3.115418     13.854306   |vec|=   15.047359
                3s
                   +0 :              -0.00001344140655
                3p
                   -1 :               0.00002224705937
                   +0 :               0.00003097975418
                   +1 :              -0.00003242363511
                4s
                   +0 :               0.00002167798388
                5s
                   +0 :               0.00002411748562
                3d
                   -2 :              -0.00010845693092
                   -1 :              -0.00006055530960
                   +0 :               0.00005614970109
                   +1 :               0.00013109383763
                   +2 :               0.00004963867628
                4d
                   -2 :              -0.00003040157694
                   -1 :               0.00002706482119
                   +0 :              -0.00003351722132
                   +1 :              -0.00002668294262
                   +2 :              -0.00000767744224
                4p
                   -1 :              -0.00010829953754
                   +0 :              -0.00004322469251
                   +1 :               0.00013649849492
              7 vec=    -2.802674     10.360219    -10.693237   |vec|=   15.150394
                3s
                   +0 :               0.00005634898973
                3p
                   -1 :               0.00002502251842
                   +0 :              -0.00005219678551
                   +1 :               0.00001626147353
                4s
                   +0 :              -0.00031460239047
                5s
                   +0 :               0.00008515261972
                3d
                   -2 :               0.00010975681888
                   -1 :               0.00004494706864
                   +0 :              -0.00007460814470
                   +1 :              -0.00017514116658
                   +2 :              -0.00005277616998
                4d
                   -2 :               0.00005055682385
                   -1 :               0.00016167451698
                   +0 :              -0.00004811255661
                   +1 :              -0.00002563811247
                   +2 :               0.00006159844859
                4p
                   -1 :              -0.00014249604783
                   +0 :               0.00021625494945
                   +1 :              -0.00001829829884
              8 vec=   -10.582837     -3.115418    -10.693237   |vec|=   15.363840
                3s
                   +0 :              -0.00004245050514
                3p
                   -1 :               0.00001442878085
                   +0 :              -0.00000793635918
                   +1 :               0.00002426513513
                4s
                   +0 :               0.00011627291363
                5s
                   +0 :               0.00002119364274
                3d
                   -2 :              -0.00014504907375
                   -1 :              -0.00002022217112
                   +0 :              -0.00011959140195
                   +1 :               0.00007848879191
                   +2 :              -0.00007675573690
                4d
                   -2 :              -0.00002943793437
                   -1 :              -0.00002110604809
                   +0 :               0.00004108163986
                   +1 :              -0.00003395727849
                   +2 :              -0.00000063379696
                4p
                   -1 :               0.00003888605326
                   +0 :               0.00002766573580
                   +1 :              -0.00001933519969
              9 vec=     4.977489      5.868340     13.854306   |vec|=   15.847858
                3s
                   +0 :              -0.00013490115829
                3p
                   -1 :              -0.00005042804246
                   +0 :              -0.00007128284727
                   +1 :              -0.00003919229299
                4s
                   +0 :               0.00021831748581
                5s
                   +0 :              -0.00003593262112
                3d
                   -2 :              -0.00016090365682
                   -1 :              -0.00011835988978
                   +0 :               0.00008098113554
                   +1 :              -0.00001182528873
                   +2 :               0.00012975541087
                4d
                   -2 :               0.00002655286199
                   -1 :              -0.00000330633693
                   +0 :               0.00005428046245
                   +1 :               0.00004272606858
                   +2 :               0.00004712636659
                4p
                   -1 :              -0.00001552171430
                   +0 :               0.00013797400044
                   +1 :               0.00007653083140
             10 vec=    -2.802674     -7.607297     13.854306   |vec|=   16.052032
                3s
                   +0 :              -0.00009401609532
                3p
                   -1 :               0.00007761813518
                   +0 :              -0.00003863313310
                   +1 :               0.00005422177418
                4s
                   +0 :               0.00005129133771
                5s
                   +0 :              -0.00000338603485
                3d
                   -2 :              -0.00040328678388
                   -1 :               0.00009980777709
                   +0 :               0.00015997477584
                   +1 :               0.00033752317437
                   +2 :              -0.00020841265511
                4d
                   -2 :               0.00003840879387
                   -1 :              -0.00002182923023
                   +0 :               0.00003415310560
                   +1 :              -0.00002327464112
                   +2 :               0.00000713326639
                4p
                   -1 :              -0.00006174727876
                   +0 :               0.00004986714051
                   +1 :               0.00008158938011
             11 vec=   -10.582837      5.868340    -10.693237   |vec|=   16.148658
                3s
                   +0 :               0.00029086184977
                3p
                   -1 :               0.00003223711263
                   +0 :              -0.00011716423414
                   +1 :              -0.00014044994319
                4s
                   +0 :              -0.00050068449540
                5s
                   +0 :               0.00003961850574
                3d
                   -2 :              -0.00016300185795
                   -1 :              -0.00013299219094
                   +0 :               0.00002815722196
                   +1 :               0.00031051735901
                   +2 :               0.00015415710810
                4d
                   -2 :               0.00001510435008
                   -1 :               0.00006426244958
                   +0 :              -0.00001491343806
                   +1 :              -0.00011910906571
                   +2 :              -0.00006116958240
                4p
                   -1 :              -0.00005123325877
                   +0 :               0.00019920388193
                   +1 :               0.00025582264734
             12 vec=    12.757651      1.376461    -10.693237   |vec|=   16.703222
                3s
                   +0 :              -0.00002259935345
                3p
                   -1 :               0.00000841595660
                   +0 :               0.00006157827497
                   +1 :              -0.00000929812047
                4s
                   +0 :               0.00000065594027
                5s
                   +0 :              -0.00003184794366
                3d
                   -2 :              -0.00014407292607
                   -1 :               0.00014839090608
                   +0 :              -0.00005936712473
                   +1 :               0.00028201540894
                   +2 :              -0.00009875313484
                4d
                   -2 :              -0.00006023276689
                   -1 :              -0.00000860569735
                   +0 :               0.00004194525613
                   +1 :              -0.00005257558467
                   +2 :               0.00002358993371
                4p
                   -1 :              -0.00003497152766
                   +0 :              -0.00008059477593
                   +1 :               0.00002901442840
             13 vec=     4.977489    -12.099176    -10.693237   |vec|=   16.897064
                3s
                   +0 :               0.00010454208248
                3p
                   -1 :              -0.00006557869852
                   +0 :              -0.00003586243381
                   +1 :               0.00000934382026
                4s
                   +0 :              -0.00020193367409
                5s
                   +0 :               0.00001124018679
                3d
                   -2 :              -0.00003140281091
                   -1 :              -0.00007742557283
                   +0 :              -0.00005608228522
                   +1 :              -0.00000342503124
                   +2 :               0.00003320757194
                4d
                   -2 :               0.00004421360524
                   -1 :              -0.00006131572545
                   +0 :               0.00000659020473
                   +1 :              -0.00000759540282
                   +2 :               0.00004022090595
                4p
                   -1 :               0.00010781396101
                   +0 :               0.00008000704162
                   +1 :              -0.00002598569933
             14 vec=    -2.802674     10.360219     13.854306   |vec|=   17.525151
                3s
                   +0 :              -0.00009828680224
                3p
                   -1 :              -0.00006677039425
                   +0 :              -0.00001923435381
                   +1 :               0.00000209343780
                4s
                   +0 :               0.00014963247966
                5s
                   +0 :              -0.00000252190997
                3d
                   -2 :              -0.00008232585361
                   -1 :              -0.00004449948205
                   +0 :               0.00004658884169
                   +1 :               0.00002056326018
                   +2 :               0.00004870644883
                4d
                   -2 :               0.00005323643147
                   -1 :               0.00002638534854
                   +0 :              -0.00002572802583
                   +1 :              -0.00001487110638
                   +2 :              -0.00001294805410
                4p
                   -1 :               0.00009547795050
                   +0 :               0.00002035094096
                   +1 :               0.00000049130345
             15 vec=   -10.582837     -3.115418     13.854306   |vec|=   17.709998
                3s
                   +0 :               0.00014324212849
                3p
                   -1 :              -0.00005696155136
                   +0 :               0.00003926126470
                   +1 :              -0.00009195186247
                4s
                   +0 :              -0.00020909628099
                5s
                   +0 :               0.00001643476573
                3d
                   -2 :               0.00007765648164
                   -1 :              -0.00005359001992
                   +0 :              -0.00006335750363
                   +1 :              -0.00010246419423
                   +2 :               0.00014540829197
                4d
                   -2 :              -0.00003621187920
                   -1 :               0.00004335233147
                   +0 :               0.00000697434735
                   +1 :               0.00004353979470
                   +2 :              -0.00004010934551
                4p
                   -1 :               0.00009176568674
                   +0 :              -0.00006310415832
                   +1 :               0.00011150298725
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al(  4)  npairs=  13
              1 vec=    -2.802674      1.376461      6.601980   |vec|=    7.303134
                2s
                   +0 :               0.00263665193114
                2p
                   -1 :               0.00042978648703
                   +0 :               0.00156600692491
                   +1 :              -0.00035846692511
                3s
                   +0 :              -0.00897543049649
                4s
                   +0 :               0.00386406132243
                3p
                   -1 :              -0.00520563733937
                   +0 :              -0.00331383194129
                   +1 :               0.00031205259818
                4p
                   -1 :               0.00100953570276
                   +0 :               0.00169310639512
                   +1 :              -0.00041571897585
                3d
                   -2 :              -0.00031345671184
                   -1 :              -0.00028176024103
                   +0 :               0.00085356738003
                   +1 :              -0.00123387468438
                   +2 :               0.00010423358769
              2 vec=     4.977489     -3.115418      6.601980   |vec|=    8.835573
                2s
                   +0 :              -0.00125989736562
                2p
                   -1 :              -0.00045554414294
                   +0 :              -0.00030749006987
                   +1 :              -0.00003313953441
                3s
                   +0 :               0.01230941929007
                4s
                   +0 :              -0.00069408312406
                3p
                   -1 :               0.00006778793202
                   +0 :               0.00715193623594
                   +1 :               0.00442772643756
                4p
                   -1 :              -0.00130948616041
                   +0 :              -0.00020433337172
                   +1 :               0.00040169599022
                3d
                   -2 :              -0.00069610179020
                   -1 :              -0.00081231177007
                   +0 :               0.00064701251136
                   +1 :               0.00215107370629
                   +2 :               0.00179675004568
              3 vec=     4.977489      5.868340      6.601980   |vec|=   10.138982
                2s
                   +0 :              -0.00124637191327
                2p
                   -1 :              -0.00059019437805
                   +0 :              -0.00026120893214
                   +1 :              -0.00076226930070
                3s
                   +0 :               0.00638544971131
                4s
                   +0 :              -0.00294734157531
                3p
                   -1 :               0.00364220413480
                   +0 :               0.00266548259438
                   +1 :               0.00485080163416
                4p
                   -1 :              -0.00138887249989
                   +0 :              -0.00095162165414
                   +1 :              -0.00149989337828
                3d
                   -2 :               0.00101960003418
                   -1 :               0.00042139779929
                   +0 :              -0.00024444373650
                   +1 :               0.00085429780013
                   +2 :              -0.00004687892796
              4 vec=    -2.802674     -7.607297      6.601980   |vec|=   10.455242
                2s
                   +0 :               0.00041222939921
                2p
                   -1 :               0.00006821852271
                   +0 :               0.00021806978395
                   +1 :               0.00002834845533
                3s
                   +0 :              -0.00153985804656
                4s
                   +0 :               0.00031251560829
                3p
                   -1 :              -0.00041513188759
                   +0 :              -0.00056392633034
                   +1 :              -0.00042257598421
                4p
                   -1 :               0.00029255085075
                   +0 :               0.00013661705954
                   +1 :               0.00005171902949
                3d
                   -2 :               0.00000996282957
                   -1 :              -0.00007228287158
                   +0 :              -0.00049256365688
                   +1 :              -0.00045547159700
                   +2 :              -0.00014770532268
              5 vec=    -2.802674     10.360219      6.601980   |vec|=   12.600606
                2s
                   +0 :               0.00025170999671
                2p
                   -1 :              -0.00002929832926
                   +0 :               0.00022544504802
                   +1 :               0.00012509808024
                3s
                   +0 :              -0.00175688323114
                4s
                   +0 :               0.00068359796352
                3p
                   -1 :              -0.00036797566323
                   +0 :              -0.00161232761619
                   +1 :              -0.00076547093132
                4p
                   -1 :               0.00006149393985
                   +0 :               0.00039457674320
                   +1 :               0.00025590627102
                3d
                   -2 :              -0.00004557447417
                   -1 :              -0.00029910799618
                   +0 :              -0.00017304456046
                   +1 :              -0.00003326619553
                   +2 :               0.00006009283658
              6 vec=   -10.582837     -3.115418      6.601980   |vec|=   12.856453
                2s
                   +0 :               0.00027832395933
                2p
                   -1 :               0.00004152914907
                   +0 :              -0.00001431856260
                   +1 :               0.00003556477037
                3s
                   +0 :              -0.00190404168224
                4s
                   +0 :               0.00027072251322
                3p
                   -1 :              -0.00000441067660
                   +0 :              -0.00071957223902
                   +1 :               0.00036319965492
                4p
                   -1 :               0.00019128574373
                   +0 :               0.00010229994048
                   +1 :               0.00004751322067
                3d
                   -2 :              -0.00012369171395
                   -1 :               0.00008347881960
                   +0 :              -0.00001271318616
                   +1 :               0.00015985577768
                   +2 :              -0.00020267147225
              7 vec=   -10.582837      5.868340      6.601980   |vec|=   13.784774
                2s
                   +0 :               0.00004552154227
                2p
                   -1 :              -0.00005783079706
                   +0 :              -0.00004721122652
                   +1 :              -0.00016392792886
                3s
                   +0 :              -0.00078586007269
                4s
                   +0 :               0.00050903390478
                3p
                   -1 :              -0.00019289169140
                   +0 :               0.00007144903787
                   +1 :               0.00122085164410
                4p
                   -1 :               0.00021067935649
                   +0 :               0.00008353206485
                   +1 :              -0.00047540689470
                3d
                   -2 :               0.00016558109133
                   -1 :              -0.00007739937996
                   +0 :               0.00005248093364
                   +1 :              -0.00003974402126
                   +2 :              -0.00000397174894
              8 vec=    12.757651      1.376461      6.601980   |vec|=   14.430470
                2s
                   +0 :              -0.00024632717791
                2p
                   -1 :               0.00007256505731
                   +0 :              -0.00017470480603
                   +1 :              -0.00005702934545
                3s
                   +0 :               0.00113557236348
                4s
                   +0 :              -0.00031452743251
                3p
                   -1 :              -0.00037140313265
                   +0 :               0.00091088631176
                   +1 :               0.00039273469048
                4p
                   -1 :               0.00013867201603
                   +0 :              -0.00016891039670
                   +1 :              -0.00006635549276
                3d
                   -2 :              -0.00001608516661
                   -1 :              -0.00007588576501
                   +0 :               0.00006908893528
                   +1 :               0.00011809011749
                   +2 :              -0.00001725338472
              9 vec=     4.977489    -12.099176      6.601980   |vec|=   14.654405
                2s
                   +0 :               0.00002173085287
                2p
                   -1 :              -0.00000839783643
                   +0 :               0.00002425810717
                   +1 :               0.00004655780617
                3s
                   +0 :              -0.00004308357895
                4s
                   +0 :              -0.00001989723205
                3p
                   -1 :               0.00004070965253
                   +0 :              -0.00010644205279
                   +1 :              -0.00028635275511
                4p
                   -1 :               0.00000037369390
                   +0 :               0.00001253009600
                   +1 :               0.00003572056625
                3d
                   -2 :               0.00001901158797
                   -1 :              -0.00001292158175
                   +0 :              -0.00002214543570
                   +1 :              -0.00007373600403
                   +2 :               0.00001506625081
             10 vec=    12.757651     -7.607297      6.601980   |vec|=   16.254684
                2s
                   +0 :              -0.00012494158204
                2p
                   -1 :               0.00002601071497
                   +0 :              -0.00006922155871
                   +1 :              -0.00003875514215
                3s
                   +0 :               0.00043660128086
                4s
                   +0 :              -0.00006294211179
                3p
                   -1 :              -0.00012455715143
                   +0 :               0.00032336084806
                   +1 :               0.00012690370312
                4p
                   -1 :               0.00002044815761
                   +0 :              -0.00005829037903
                   +1 :               0.00002058750815
                3d
                   -2 :              -0.00000501057344
                   -1 :              -0.00002495831037
                   +0 :               0.00002114160273
                   +1 :               0.00006920785010
                   +2 :               0.00000757890517
             11 vec=     4.977489     14.852098      6.601980   |vec|=   16.998422
                2s
                   +0 :              -0.00002217143380
                2p
                   -1 :               0.00001434163865
                   +0 :               0.00000295848465
                   +1 :              -0.00001109128801
                3s
                   +0 :               0.00018564959997
                4s
                   +0 :              -0.00002222017059
                3p
                   -1 :              -0.00001421769949
                   +0 :               0.00005924800933
                   +1 :               0.00005327480115
                4p
                   -1 :               0.00002780648623
                   +0 :              -0.00001083617239
                   +1 :              -0.00001341975479
                3d
                   -2 :               0.00006748668813
                   -1 :               0.00002319976757
                   +0 :               0.00002927536555
                   +1 :               0.00002078221376
                   +2 :              -0.00002231536455
             12 vec=   -10.582837    -12.099176      6.601980   |vec|=   17.377359
                2s
                   +0 :               0.00006004020195
                2p
                   -1 :               0.00001422789776
                   +0 :               0.00003000562402
                   +1 :              -0.00000835292578
                3s
                   +0 :              -0.00032387841951
                4s
                   +0 :               0.00007544300168
                3p
                   -1 :              -0.00004986958196
                   +0 :              -0.00021061591516
                   +1 :               0.00007283484338
                4p
                   -1 :               0.00003210423948
                   +0 :               0.00004436318574
                   +1 :              -0.00000922268385
                3d
                   -2 :               0.00000329846060
                   -1 :               0.00001968957247
                   +0 :              -0.00001744925265
                   +1 :               0.00004129029057
                   +2 :              -0.00003354557205
             13 vec=    12.757651     10.360219      6.601980   |vec|=   17.710956
                2s
                   +0 :              -0.00004023792585
                2p
                   -1 :               0.00001212683640
                   +0 :               0.00000692563290
                   +1 :              -0.00002010741899
                3s
                   +0 :               0.00023179342415
                4s
                   +0 :              -0.00009182460376
                3p
                   -1 :              -0.00007354616446
                   +0 :              -0.00000130857855
                   +1 :               0.00017974759954
                4p
                   -1 :               0.00003202748394
                   +0 :              -0.00001122442108
                   +1 :              -0.00006976415785
                3d
                   -2 :               0.00001675509797
                   -1 :              -0.00002477740497
                   +0 :               0.00001584824528
                   +1 :              -0.00002277795231
                   +2 :               0.00000541971648
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al(  5)  npairs=  14
              1 vec=     2.384101      1.376461      2.510641   |vec|=    3.725842
                2s
                   +0 :               0.02122559061889
                2p
                   -1 :               0.01380504422284
                   +0 :               0.01903253235497
                   +1 :               0.01719718737526
                3s
                   +0 :               0.06200951374360
                4s
                   +0 :               0.00909917079205
                3p
                   -1 :               0.01451576575749
                   +0 :               0.05414955164326
                   +1 :               0.02038556744479
                4p
                   -1 :               0.00918063486195
                   +0 :               0.00806349688354
                   +1 :               0.00893561344016
                3d
                   -2 :               0.01848475115855
                   -1 :               0.02729999818940
                   +0 :               0.01960924062152
                   +1 :               0.02924821652801
                   +2 :              -0.00057939512397
              2 vec=    -5.396061     -3.115418      2.510641   |vec|=    6.717635
                2s
                   +0 :               0.00363613292889
                2p
                   -1 :              -0.00233666747062
                   +0 :               0.00145459863749
                   +1 :              -0.00176466540636
                3s
                   +0 :              -0.01061758970036
                4s
                   +0 :               0.00807367899254
                3p
                   -1 :               0.00896856797250
                   +0 :              -0.00463443012212
                   +1 :               0.00269361231214
                4p
                   -1 :              -0.00378122727996
                   +0 :               0.00250080539792
                   +1 :              -0.00298734444210
                3d
                   -2 :               0.00000321292519
                   -1 :               0.00144304985243
                   +0 :              -0.00069240073786
                   +1 :               0.00053828872751
                   +2 :              -0.00002296278767
              3 vec=    -5.396061      5.868340      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00086632670852
                2p
                   -1 :              -0.00019169050932
                   +0 :               0.00035353717754
                   +1 :              -0.00082524114904
                3s
                   +0 :              -0.00316450935949
                4s
                   +0 :              -0.00189880630696
                3p
                   -1 :               0.00600088200549
                   +0 :              -0.00437945892463
                   +1 :               0.00454588803395
                4p
                   -1 :              -0.00299874872520
                   +0 :              -0.00005874617978
                   +1 :              -0.00008295670613
                3d
                   -2 :              -0.00103533766869
                   -1 :               0.00106196440812
                   +0 :              -0.00133465401824
                   +1 :               0.00106693729431
                   +2 :              -0.00152336521626
              4 vec=     2.384101     -7.607297      2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00026276780028
                2p
                   -1 :              -0.00013719261899
                   +0 :               0.00013046438332
                   +1 :              -0.00038727127895
                3s
                   +0 :               0.00291891626260
                4s
                   +0 :              -0.00009158585455
                3p
                   -1 :              -0.00017223082835
                   +0 :               0.00140171740453
                   +1 :               0.00067737307958
                4p
                   -1 :              -0.00021680705676
                   +0 :               0.00021360845924
                   +1 :              -0.00024289074651
                3d
                   -2 :              -0.00025033513772
                   -1 :              -0.00071499154885
                   +0 :               0.00075640033088
                   +1 :              -0.00031425576687
                   +2 :               0.00035700558536
              5 vec=     2.384101     10.360219      2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00031449317106
                2p
                   -1 :              -0.00003413860110
                   +0 :              -0.00003033218585
                   +1 :               0.00007811238208
                3s
                   +0 :               0.00064225728696
                4s
                   +0 :              -0.00044851773830
                3p
                   -1 :              -0.00030583242961
                   +0 :              -0.00013308699877
                   +1 :              -0.00078452827374
                4p
                   -1 :              -0.00001636579196
                   +0 :               0.00002945746395
                   +1 :               0.00017888058363
                3d
                   -2 :              -0.00019731976746
                   -1 :              -0.00002767306715
                   +0 :              -0.00016090395204
                   +1 :              -0.00001459260642
                   +2 :               0.00006544073654
              6 vec=    10.164264     -3.115418      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00060032459307
                2p
                   -1 :               0.00013039805868
                   +0 :              -0.00005517136392
                   +1 :               0.00023965775229
                3s
                   +0 :              -0.00065611365991
                4s
                   +0 :              -0.00045043300046
                3p
                   -1 :              -0.00131145311966
                   +0 :               0.00013638765195
                   +1 :               0.00001333820699
                4p
                   -1 :               0.00043092923582
                   +0 :              -0.00018496834824
                   +1 :              -0.00045863409961
                3d
                   -2 :              -0.00030064569460
                   -1 :              -0.00038370511812
                   +0 :              -0.00003229227344
                   +1 :               0.00002520835736
                   +2 :               0.00010300776961
              7 vec=    10.164264      5.868340      2.510641   |vec|=   12.002208
                2s
                   +0 :               0.00031148758902
                2p
                   -1 :               0.00010869169429
                   +0 :               0.00011828154567
                   +1 :               0.00009861560291
                3s
                   +0 :              -0.00047388120343
                4s
                   +0 :               0.00037013452025
                3p
                   -1 :              -0.00033237949436
                   +0 :               0.00006674296163
                   +1 :              -0.00020594028690
                4p
                   -1 :               0.00001074335112
                   +0 :               0.00012793965896
                   +1 :               0.00019890435484
                3d
                   -2 :              -0.00012921797998
                   -1 :               0.00005612937547
                   +0 :               0.00011770747291
                   +1 :               0.00015595620854
                   +2 :               0.00053707535020
              8 vec=   -13.176224      1.376461      2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00011450257786
                2p
                   -1 :              -0.00039064872898
                   +0 :              -0.00026790503963
                   +1 :               0.00005079372166
                3s
                   +0 :              -0.00044853203205
                4s
                   +0 :              -0.00017592415122
                3p
                   -1 :               0.00160393052398
                   +0 :               0.00019173030716
                   +1 :               0.00021038817464
                4p
                   -1 :              -0.00054501768052
                   +0 :              -0.00011781921665
                   +1 :               0.00005022064684
                3d
                   -2 :              -0.00031995845020
                   -1 :              -0.00016156868910
                   +0 :              -0.00015770623488
                   +1 :               0.00002943400387
                   +2 :              -0.00021178576731
              9 vec=    -5.396061    -12.099176      2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00002051072943
                2p
                   -1 :               0.00000324000081
                   +0 :              -0.00005181373567
                   +1 :               0.00005572456507
                3s
                   +0 :              -0.00057654728589
                4s
                   +0 :               0.00006161708850
                3p
                   -1 :               0.00035014940778
                   +0 :              -0.00025177486233
                   +1 :              -0.00050528718410
                4p
                   -1 :              -0.00004768396419
                   +0 :              -0.00006762651403
                   +1 :               0.00016433219530
                3d
                   -2 :               0.00010856040559
                   -1 :               0.00010228837444
                   +0 :              -0.00017570254291
                   +1 :              -0.00010559108898
                   +2 :               0.00007724241437
             10 vec=   -13.176224     -7.607297      2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00001329154311
                2p
                   -1 :               0.00000868070927
                   +0 :              -0.00000628717492
                   +1 :              -0.00001071789945
                3s
                   +0 :              -0.00010913790311
                4s
                   +0 :               0.00007550779094
                3p
                   -1 :               0.00004541402676
                   +0 :               0.00002780542460
                   +1 :               0.00010656991551
                4p
                   -1 :              -0.00006583747668
                   +0 :              -0.00003012174839
                   +1 :              -0.00004552779749
                3d
                   -2 :              -0.00002907481435
                   -1 :              -0.00002556283618
                   +0 :              -0.00001664557585
                   +1 :               0.00001813793271
                   +2 :               0.00000976263190
             11 vec=    -5.396061     14.852098      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00000679849229
                2p
                   -1 :               0.00002846324007
                   +0 :              -0.00002000144701
                   +1 :              -0.00004096852984
                3s
                   +0 :               0.00010058192855
                4s
                   +0 :               0.00005296578600
                3p
                   -1 :              -0.00009819370208
                   +0 :               0.00018160702495
                   +1 :               0.00015474927102
                4p
                   -1 :               0.00006678574845
                   +0 :              -0.00003819786262
                   +1 :              -0.00004444498270
                3d
                   -2 :               0.00005865305800
                   -1 :              -0.00001679943213
                   +0 :               0.00001399584878
                   +1 :              -0.00011137107567
                   +2 :               0.00003795453838
             12 vec=    10.164264    -12.099176      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00003518902625
                2p
                   -1 :              -0.00003791390769
                   +0 :               0.00004327517995
                   +1 :              -0.00000826328548
                3s
                   +0 :               0.00002140500595
                4s
                   +0 :               0.00002642640947
                3p
                   -1 :               0.00018555260878
                   +0 :              -0.00020217368744
                   +1 :               0.00007442807386
                4p
                   -1 :              -0.00005362942287
                   +0 :               0.00006321904383
                   +1 :              -0.00002585360352
                3d
                   -2 :               0.00002199068100
                   -1 :               0.00001444472049
                   +0 :               0.00002982459233
                   +1 :              -0.00003873821166
                   +2 :              -0.00000371496222
             13 vec=   -13.176224     10.360219      2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00003428140670
                2p
                   -1 :               0.00001687531044
                   +0 :              -0.00000749225379
                   +1 :               0.00000791701419
                3s
                   +0 :              -0.00024131273191
                4s
                   +0 :               0.00011621997545
                3p
                   -1 :              -0.00011699878375
                   +0 :              -0.00004142057172
                   +1 :               0.00001658701992
                4p
                   -1 :               0.00002772713571
                   +0 :               0.00002180963308
                   +1 :              -0.00003448537325
                3d
                   -2 :               0.00001855759041
                   -1 :              -0.00000889381410
                   +0 :              -0.00001406773702
                   +1 :               0.00002639928325
                   +2 :              -0.00000806790623
             14 vec=     2.384101    -16.591055      2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00002680218824
                2p
                   -1 :              -0.00001752086821
                   +0 :               0.00001046778179
                   +1 :               0.00000599328307
                3s
                   +0 :              -0.00006828972986
                4s
                   +0 :               0.00002079914982
                3p
                   -1 :               0.00008752606504
                   +0 :              -0.00005029489347
                   +1 :              -0.00002337421513
                4p
                   -1 :              -0.00002659127739
                   +0 :               0.00001158821489
                   +1 :               0.00000394327797
                3d
                   -2 :              -0.00000558096673
                   -1 :               0.00001126356357
                   +0 :               0.00001212393663
                   +1 :               0.00000979446529
                   +2 :               0.00000327688016
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al(  6)  npairs=  13
              1 vec=     2.384101      1.376461      9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00020453071329
                2p
                   -1 :              -0.00023978288623
                   +0 :              -0.00013667609212
                   +1 :              -0.00005137257538
                3s
                   +0 :              -0.00018739906927
                4s
                   +0 :               0.00013700464509
                3p
                   -1 :               0.00078730485650
                   +0 :               0.00013180522375
                   +1 :              -0.00066771340502
                4p
                   -1 :              -0.00037269478158
                   +0 :               0.00004494829048
                   +1 :               0.00007070567926
                3d
                   -2 :               0.00051668301707
                   -1 :              -0.00007824786010
                   +0 :              -0.00003807358265
                   +1 :              -0.00018772932862
                   +2 :              -0.00015512109306
              2 vec=    -5.396061     -3.115418      9.762967   |vec|=   11.581832
                2s
                   +0 :               0.00041148776411
                2p
                   -1 :              -0.00036993139417
                   +0 :               0.00014473305706
                   +1 :              -0.00001044787208
                3s
                   +0 :              -0.00155704621020
                4s
                   +0 :               0.00071609392182
                3p
                   -1 :               0.00157325180669
                   +0 :              -0.00117526807194
                   +1 :               0.00032201161906
                4p
                   -1 :              -0.00028092253614
                   +0 :               0.00048806275250
                   +1 :              -0.00019669543419
                3d
                   -2 :              -0.00009785705445
                   -1 :               0.00040185072005
                   +0 :              -0.00023232404314
                   +1 :               0.00001886407512
                   +2 :               0.00026855287991
              3 vec=    -5.396061      5.868340      9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00006593913536
                2p
                   -1 :              -0.00013016310806
                   +0 :              -0.00010668457517
                   +1 :               0.00024941797673
                3s
                   +0 :               0.00035479976781
                4s
                   +0 :              -0.00027434374160
                3p
                   -1 :               0.00086703339609
                   +0 :               0.00068899695902
                   +1 :              -0.00099152020304
                4p
                   -1 :              -0.00032625738165
                   +0 :              -0.00037636201456
                   +1 :               0.00014738290700
                3d
                   -2 :              -0.00005038967059
                   -1 :               0.00018840412450
                   +0 :              -0.00000795272847
                   +1 :              -0.00009702214837
                   +2 :              -0.00014822218255
              4 vec=     2.384101     -7.607297      9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00000248005139
                2p
                   -1 :              -0.00007212405719
                   +0 :              -0.00000747646823
                   +1 :              -0.00003376600188
                3s
                   +0 :               0.00124692534282
                4s
                   +0 :              -0.00002142151114
                3p
                   -1 :              -0.00094423146702
                   +0 :               0.00046835427257
                   +1 :               0.00044814883539
                4p
                   -1 :              -0.00002008073950
                   +0 :              -0.00003872934818
                   +1 :              -0.00007633232083
                3d
                   -2 :              -0.00008282388560
                   -1 :              -0.00033357178265
                   +0 :              -0.00015318694221
                   +1 :               0.00011242354541
                   +2 :              -0.00041629268114
              5 vec=     2.384101     10.360219      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00013850359447
                2p
                   -1 :               0.00004090937814
                   +0 :              -0.00002379185302
                   +1 :               0.00008335789177
                3s
                   +0 :               0.00033639256772
                4s
                   +0 :              -0.00007995115985
                3p
                   -1 :              -0.00037238673457
                   +0 :               0.00001509609583
                   +1 :              -0.00043069113061
                4p
                   -1 :               0.00013769517625
                   +0 :               0.00001941854404
                   +1 :               0.00004356447472
                3d
                   -2 :              -0.00014724919566
                   -1 :              -0.00010122076532
                   +0 :               0.00002261464569
                   +1 :              -0.00014977555819
                   +2 :               0.00017577453924
              6 vec=    10.164264     -3.115418      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00000657428392
                2p
                   -1 :               0.00007643213363
                   +0 :              -0.00002600206228
                   +1 :              -0.00007161677866
                3s
                   +0 :               0.00013373676321
                4s
                   +0 :              -0.00017887128937
                3p
                   -1 :              -0.00037730551541
                   +0 :               0.00022600746787
                   +1 :               0.00035798032177
                4p
                   -1 :               0.00013585622540
                   +0 :              -0.00009483658592
                   +1 :              -0.00014788425295
                3d
                   -2 :              -0.00010374749538
                   -1 :              -0.00010712921568
                   +0 :               0.00003686327632
                   +1 :               0.00003816985282
                   +2 :              -0.00000024824827
              7 vec=     2.384101      1.376461    -14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00001577919395
                2p
                   -1 :               0.00000102141356
                   +0 :              -0.00000589923273
                   +1 :               0.00000295930019
                3s
                   +0 :               0.00008107785622
                4s
                   +0 :              -0.00002821531235
                3p
                   -1 :              -0.00013664374239
                   +0 :              -0.00006777081140
                   +1 :               0.00003807349163
                4p
                   -1 :               0.00004068275708
                   +0 :               0.00002124141138
                   +1 :              -0.00000646752691
                3d
                   -2 :               0.00006734370081
                   -1 :               0.00005434442509
                   +0 :               0.00002862085020
                   +1 :              -0.00001554127033
                   +2 :              -0.00005806277477
              8 vec=    10.164264      5.868340      9.762967   |vec|=   15.266473
                2s
                   +0 :               0.00031788478833
                2p
                   -1 :               0.00017334099655
                   +0 :               0.00014994154898
                   +1 :               0.00011459212635
                3s
                   +0 :              -0.00102316926409
                4s
                   +0 :               0.00023470894537
                3p
                   -1 :              -0.00100164153168
                   +0 :              -0.00065542551080
                   +1 :              -0.00050476336967
                4p
                   -1 :               0.00027471734665
                   +0 :               0.00013619438298
                   +1 :               0.00005347752465
                3d
                   -2 :              -0.00021439948935
                   -1 :              -0.00017440132579
                   +0 :               0.00001091060909
                   +1 :              -0.00023005687250
                   +2 :              -0.00006226407485
              9 vec=    -5.396061     -3.115418    -14.784576   |vec|=   16.043908
                2s
                   +0 :               0.00001827096171
                2p
                   -1 :               0.00000322420135
                   +0 :               0.00000451778188
                   +1 :              -0.00000197924156
                3s
                   +0 :              -0.00014797918258
                4s
                   +0 :               0.00001443217335
                3p
                   -1 :              -0.00005128931129
                   +0 :               0.00001244232620
                   +1 :              -0.00009313837737
                4p
                   -1 :              -0.00001060729586
                   +0 :               0.00001855812114
                   +1 :               0.00001545181882
                3d
                   -2 :              -0.00003810075331
                   -1 :               0.00001389114085
                   +0 :               0.00002749179355
                   +1 :               0.00004493454281
                   +2 :               0.00000265016114
             10 vec=   -13.176224      1.376461      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00008853791487
                2p
                   -1 :              -0.00004788266614
                   +0 :              -0.00000997812997
                   +1 :               0.00010176614899
                3s
                   +0 :               0.00018479278541
                4s
                   +0 :              -0.00007817527375
                3p
                   -1 :               0.00015504528365
                   +0 :              -0.00005622990900
                   +1 :              -0.00039767144281
                4p
                   -1 :              -0.00001017238499
                   +0 :               0.00001641150554
                   +1 :               0.00008840462694
                3d
                   -2 :              -0.00001610313053
                   -1 :               0.00002929626346
                   +0 :              -0.00002517165088
                   +1 :              -0.00001708786538
                   +2 :               0.00005028665521
             11 vec=    -5.396061    -12.099176      9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00001608235683
                2p
                   -1 :              -0.00001290454771
                   +0 :               0.00001675778254
                   +1 :              -0.00001187459770
                3s
                   +0 :              -0.00010714380197
                4s
                   +0 :               0.00000826437985
                3p
                   -1 :               0.00012581882204
                   +0 :              -0.00014529063640
                   +1 :              -0.00001886378544
                4p
                   -1 :              -0.00001823710689
                   +0 :               0.00001108283036
                   +1 :               0.00001898380817
                3d
                   -2 :               0.00000364720155
                   -1 :               0.00004859198845
                   +0 :              -0.00000936012291
                   +1 :               0.00000448484849
                   +2 :               0.00002934278190
             12 vec=    -5.396061      5.868340    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00009529735495
                2p
                   -1 :               0.00001240109780
                   +0 :              -0.00002548921972
                   +1 :               0.00000667676976
                3s
                   +0 :              -0.00036718843122
                4s
                   +0 :               0.00006504275790
                3p
                   -1 :              -0.00012680931883
                   +0 :               0.00014960028618
                   +1 :              -0.00007226275672
                4p
                   -1 :               0.00000881248780
                   +0 :              -0.00000422120451
                   +1 :              -0.00000492459739
                3d
                   -2 :              -0.00000629967571
                   -1 :               0.00003845190265
                   +0 :               0.00001605845279
                   +1 :               0.00000794848632
                   +2 :               0.00006557827661
             13 vec=     2.384101     -7.607297    -14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00001474740541
                2p
                   -1 :               0.00001149384450
                   +0 :               0.00001799978867
                   +1 :               0.00000155920667
                3s
                   +0 :               0.00001473625022
                4s
                   +0 :              -0.00004298509670
                3p
                   -1 :               0.00001278699761
                   +0 :              -0.00002918268625
                   +1 :              -0.00006724814458
                4p
                   -1 :               0.00000775929144
                   +0 :               0.00003619516410
                   +1 :              -0.00000309836862
                3d
                   -2 :               0.00003772639650
                   -1 :              -0.00002661232237
                   +0 :              -0.00000155052916
                   +1 :               0.00002973811306
                   +2 :               0.00003731941389
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al(  7)  npairs=  14
              1 vec=     2.384101      1.376461     -2.510804   |vec|=    3.725953
                2s
                   +0 :               0.01818273406342
                2p
                   -1 :               0.00958985444231
                   +0 :              -0.01828605825194
                   +1 :               0.01711591174794
                3s
                   +0 :               0.05713306717291
                4s
                   +0 :               0.00592144887618
                3p
                   -1 :               0.03334448936389
                   +0 :              -0.05320382407883
                   +1 :               0.00906954043293
                4p
                   -1 :               0.00057875228958
                   +0 :              -0.00659533722467
                   +1 :               0.01055144080634
                3d
                   -2 :               0.01676382264329
                   -1 :              -0.02655189810252
                   +0 :               0.02070335683742
                   +1 :              -0.02689213826806
                   +2 :              -0.00467699855121
              2 vec=    -5.396061     -3.115418     -2.510804   |vec|=    6.717696
                2s
                   +0 :               0.00007110785413
                2p
                   -1 :              -0.00000778370017
                   +0 :              -0.00049389665500
                   +1 :              -0.00077953447155
                3s
                   +0 :               0.00717280721312
                4s
                   +0 :               0.00002043148881
                3p
                   -1 :              -0.00529775280388
                   +0 :              -0.00323789972729
                   +1 :              -0.00258467144260
                4p
                   -1 :               0.00035048168789
                   +0 :               0.00010457942850
                   +1 :              -0.00102983027492
                3d
                   -2 :               0.00108961373362
                   -1 :              -0.00055561406616
                   +0 :               0.00003156830783
                   +1 :               0.00083351214807
                   +2 :              -0.00109452512220
              3 vec=    -5.396061      5.868340     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00114628756175
                2p
                   -1 :              -0.00109212531423
                   +0 :              -0.00046063176015
                   +1 :               0.00030308980956
                3s
                   +0 :               0.00127141925947
                4s
                   +0 :              -0.00110263188453
                3p
                   -1 :               0.00615590163525
                   +0 :               0.00525108737966
                   +1 :              -0.00161689346865
                4p
                   -1 :              -0.00103438246904
                   +0 :              -0.00070691283656
                   +1 :               0.00129342866307
                3d
                   -2 :              -0.00161298463395
                   -1 :              -0.00036482060298
                   +0 :              -0.00256653962611
                   +1 :              -0.00123057226877
                   +2 :              -0.00137829796270
              4 vec=     2.384101     -7.607297     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00032159432530
                2p
                   -1 :               0.00022425166201
                   +0 :               0.00031115873391
                   +1 :              -0.00020947371328
                3s
                   +0 :               0.00535302978487
                4s
                   +0 :              -0.00199104495412
                3p
                   -1 :              -0.00327100939879
                   +0 :              -0.00456333163677
                   +1 :               0.00108113854323
                4p
                   -1 :               0.00128825786289
                   +0 :               0.00096194074990
                   +1 :              -0.00086319352396
                3d
                   -2 :               0.00038334096255
                   -1 :               0.00137772206702
                   +0 :               0.00044502241752
                   +1 :               0.00012676222407
                   +2 :               0.00003471486313
              5 vec=     2.384101     10.360219     -2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00002792460131
                2p
                   -1 :              -0.00020710354689
                   +0 :               0.00015759403578
                   +1 :               0.00003661184449
                3s
                   +0 :              -0.00044209466185
                4s
                   +0 :              -0.00035258072702
                3p
                   -1 :               0.00078358011995
                   +0 :              -0.00078171543196
                   +1 :              -0.00036216044619
                4p
                   -1 :              -0.00047357702262
                   +0 :               0.00036843276567
                   +1 :               0.00007650315723
                3d
                   -2 :              -0.00002144193797
                   -1 :              -0.00011035042502
                   +0 :              -0.00025608737202
                   +1 :               0.00019634217026
                   +2 :              -0.00023564000286
              6 vec=    10.164264     -3.115418     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00015596389824
                2p
                   -1 :              -0.00006710662336
                   +0 :               0.00005675797990
                   +1 :              -0.00012952155267
                3s
                   +0 :               0.00063718466703
                4s
                   +0 :              -0.00023852036336
                3p
                   -1 :              -0.00004730119057
                   +0 :              -0.00020550443178
                   +1 :               0.00036990084469
                4p
                   -1 :               0.00005351434159
                   +0 :               0.00003336551047
                   +1 :              -0.00013121318845
                3d
                   -2 :               0.00006381059427
                   -1 :               0.00036531611792
                   +0 :              -0.00029362795743
                   +1 :              -0.00010319322571
                   +2 :               0.00016700484395
              7 vec=    10.164264      5.868340     -2.510804   |vec|=   12.002242
                2s
                   +0 :               0.00017619704198
                2p
                   -1 :               0.00002446583196
                   +0 :              -0.00020312091213
                   +1 :               0.00016037229169
                3s
                   +0 :              -0.00013600308148
                4s
                   +0 :               0.00034414496555
                3p
                   -1 :              -0.00015819498903
                   +0 :               0.00024223200537
                   +1 :              -0.00040748554465
                4p
                   -1 :               0.00009035325600
                   +0 :              -0.00016003814133
                   +1 :               0.00020709134145
                3d
                   -2 :               0.00007541529925
                   -1 :               0.00006818603053
                   +0 :               0.00002654601637
                   +1 :              -0.00019069710551
                   +2 :              -0.00016365819458
              8 vec=   -13.176224      1.376461     -2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00008503582235
                2p
                   -1 :               0.00013179171245
                   +0 :              -0.00003903629855
                   +1 :               0.00001116215143
                3s
                   +0 :              -0.00159627288822
                4s
                   +0 :               0.00035355833530
                3p
                   -1 :              -0.00132361336324
                   +0 :               0.00111656973822
                   +1 :               0.00045305165297
                4p
                   -1 :               0.00028728820865
                   +0 :              -0.00009704179892
                   +1 :              -0.00008808249304
                3d
                   -2 :               0.00032089127992
                   -1 :               0.00022700280211
                   +0 :              -0.00033582771395
                   +1 :              -0.00031129172428
                   +2 :              -0.00000717962883
              9 vec=    -5.396061    -12.099176     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00013773042383
                2p
                   -1 :               0.00013835325529
                   +0 :               0.00011505231750
                   +1 :              -0.00001864895741
                3s
                   +0 :              -0.00000961548277
                4s
                   +0 :              -0.00019270091142
                3p
                   -1 :              -0.00041661217679
                   +0 :              -0.00009306251751
                   +1 :               0.00005704413903
                4p
                   -1 :               0.00020526140960
                   +0 :               0.00013533965178
                   +1 :              -0.00003478799050
                3d
                   -2 :               0.00001858091199
                   -1 :              -0.00009878257067
                   +0 :              -0.00021926407453
                   +1 :               0.00014440978199
                   +2 :               0.00001163881327
             10 vec=   -13.176224     -7.607297     -2.510804   |vec|=   15.420376
                2s
                   +0 :               0.00004725015790
                2p
                   -1 :              -0.00001645381579
                   +0 :              -0.00002285042520
                   +1 :              -0.00003297394790
                3s
                   +0 :              -0.00030617503213
                4s
                   +0 :               0.00012344250107
                3p
                   -1 :               0.00008429562527
                   +0 :               0.00016583456400
                   +1 :               0.00020985873970
                4p
                   -1 :              -0.00001768155104
                   +0 :              -0.00004023924043
                   +1 :              -0.00009163034174
                3d
                   -2 :               0.00001183477684
                   -1 :              -0.00005583997044
                   +0 :               0.00001828083506
                   +1 :              -0.00001104500660
                   +2 :              -0.00002311626970
             11 vec=    -5.396061     14.852098     -2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00007933217172
                2p
                   -1 :               0.00007519711012
                   +0 :               0.00000196003412
                   +1 :              -0.00004107108753
                3s
                   +0 :              -0.00015187790684
                4s
                   +0 :               0.00009569793732
                3p
                   -1 :              -0.00029722746914
                   +0 :              -0.00004739360571
                   +1 :               0.00014486664025
                4p
                   -1 :               0.00009570831511
                   +0 :              -0.00001544386359
                   +1 :              -0.00005205385521
                3d
                   -2 :              -0.00002576494104
                   -1 :               0.00000789135733
                   +0 :               0.00006186842636
                   +1 :               0.00001579221976
                   +2 :               0.00003592267258
             12 vec=    10.164264    -12.099176     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00001790834792
                2p
                   -1 :              -0.00003727870877
                   +0 :              -0.00002158621479
                   +1 :              -0.00005940659754
                3s
                   +0 :               0.00023367965516
                4s
                   +0 :              -0.00008620330850
                3p
                   -1 :               0.00008881019775
                   +0 :              -0.00000601946327
                   +1 :               0.00028861235210
                4p
                   -1 :              -0.00000548343858
                   +0 :               0.00001213283340
                   +1 :              -0.00007912595422
                3d
                   -2 :              -0.00000008730293
                   -1 :               0.00002936583047
                   +0 :               0.00001809696949
                   +1 :               0.00004041325782
                   +2 :               0.00002394319660
             13 vec=   -13.176224     10.360219     -2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00004063373566
                2p
                   -1 :              -0.00002208593159
                   +0 :               0.00001919663880
                   +1 :               0.00000737506494
                3s
                   +0 :               0.00008401303006
                4s
                   +0 :              -0.00005484104047
                3p
                   -1 :               0.00005730988474
                   +0 :              -0.00005922846473
                   +1 :              -0.00004581526072
                4p
                   -1 :              -0.00001217013098
                   +0 :               0.00003141112092
                   +1 :               0.00001474586671
                3d
                   -2 :               0.00000995927420
                   -1 :               0.00001928720727
                   +0 :               0.00002104760011
                   +1 :               0.00002433674953
                   +2 :              -0.00000114684653
             14 vec=     2.384101    -16.591055     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00000049780689
                2p
                   -1 :               0.00000520560886
                   +0 :               0.00000261703995
                   +1 :               0.00000145395643
                3s
                   +0 :              -0.00001617153231
                4s
                   +0 :               0.00001341161122
                3p
                   -1 :               0.00000391704807
                   +0 :              -0.00000648254416
                   +1 :              -0.00003877155094
                4p
                   -1 :              -0.00000501810008
                   +0 :              -0.00000953911540
                   +1 :               0.00002750816831
                3d
                   -2 :              -0.00000031698770
                   -1 :              -0.00000266297648
                   +0 :               0.00000745160934
                   +1 :              -0.00000525734008
                   +2 :              -0.00000086750900
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al(  8)  npairs=  13
              1 vec=     2.384101      1.376461     -9.763130   |vec|=   10.143831
                2s
                   +0 :              -0.00038206560890
                2p
                   -1 :               0.00015885671089
                   +0 :               0.00008157570875
                   +1 :              -0.00012471769562
                3s
                   +0 :               0.00087403269841
                4s
                   +0 :              -0.00027125897187
                3p
                   -1 :              -0.00117643695722
                   +0 :              -0.00017077165870
                   +1 :              -0.00024214875012
                4p
                   -1 :               0.00036371105526
                   +0 :               0.00004997259447
                   +1 :              -0.00009307579302
                3d
                   -2 :               0.00024997081505
                   -1 :               0.00010408121139
                   +0 :              -0.00019797123121
                   +1 :               0.00022175217009
                   +2 :               0.00060010561913
              2 vec=    -5.396061     -3.115418     -9.763130   |vec|=   11.581970
                2s
                   +0 :               0.00014162680674
                2p
                   -1 :               0.00001321747524
                   +0 :              -0.00015909352302
                   +1 :               0.00011372180933
                3s
                   +0 :              -0.00077159081358
                4s
                   +0 :               0.00049828879947
                3p
                   -1 :               0.00000769119511
                   +0 :               0.00106492255152
                   +1 :              -0.00061118463491
                4p
                   -1 :              -0.00011590695986
                   +0 :              -0.00036150411296
                   +1 :               0.00023310209609
                3d
                   -2 :               0.00025154814933
                   -1 :              -0.00005993802353
                   +0 :              -0.00037102052777
                   +1 :              -0.00005924301903
                   +2 :              -0.00026658491042
              3 vec=    -5.396061      5.868340     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00002304654524
                2p
                   -1 :              -0.00012856579949
                   +0 :               0.00006473502648
                   +1 :              -0.00006355465407
                3s
                   +0 :               0.00014661711985
                4s
                   +0 :               0.00007005190998
                3p
                   -1 :               0.00083138128316
                   +0 :              -0.00043555238389
                   +1 :               0.00030491800147
                4p
                   -1 :              -0.00029534176916
                   +0 :               0.00008722615957
                   +1 :              -0.00020750209963
                3d
                   -2 :              -0.00022277921058
                   -1 :              -0.00014500690233
                   +0 :              -0.00001829606516
                   +1 :               0.00022657801868
                   +2 :               0.00011632454016
              4 vec=     2.384101     -7.607297     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00010527501009
                2p
                   -1 :              -0.00007682705413
                   +0 :              -0.00000627502523
                   +1 :              -0.00007145287889
                3s
                   +0 :               0.00178465769367
                4s
                   +0 :              -0.00019484480637
                3p
                   -1 :              -0.00118787717332
                   +0 :              -0.00042719251768
                   +1 :               0.00024805215636
                4p
                   -1 :               0.00004533885038
                   +0 :               0.00008271392905
                   +1 :              -0.00009599667717
                3d
                   -2 :               0.00001066582609
                   -1 :               0.00018049023157
                   +0 :              -0.00023043063735
                   +1 :              -0.00017072905017
                   +2 :              -0.00029765132166
              5 vec=     2.384101     10.360219     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00003356254370
                2p
                   -1 :              -0.00005884456656
                   +0 :              -0.00000504652523
                   +1 :               0.00017171667758
                3s
                   +0 :              -0.00010498551285
                4s
                   +0 :              -0.00004895089383
                3p
                   -1 :               0.00037312444102
                   +0 :               0.00005007901439
                   +1 :              -0.00090085624394
                4p
                   -1 :              -0.00015458259189
                   +0 :               0.00001371458713
                   +1 :               0.00014140941904
                3d
                   -2 :              -0.00017231627454
                   -1 :              -0.00003427872455
                   +0 :               0.00003478674128
                   +1 :               0.00022049873277
                   +2 :              -0.00012778866721
              6 vec=    10.164264     -3.115418     -9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00022471386249
                2p
                   -1 :               0.00003976267997
                   +0 :               0.00005651780580
                   +1 :              -0.00000585718599
                3s
                   +0 :               0.00067867135873
                4s
                   +0 :              -0.00017914198195
                3p
                   -1 :              -0.00008988117530
                   +0 :              -0.00019412123656
                   +1 :               0.00000644115682
                4p
                   -1 :               0.00000147900229
                   +0 :               0.00003685340868
                   +1 :               0.00002559697991
                3d
                   -2 :               0.00008829415056
                   -1 :               0.00003842830254
                   +0 :              -0.00002396064405
                   +1 :               0.00002233248928
                   +2 :              -0.00009667211583
              7 vec=     2.384101      1.376461     14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00007032646760
                2p
                   -1 :               0.00000713127147
                   +0 :               0.00002441687198
                   +1 :              -0.00003488262999
                3s
                   +0 :              -0.00016203778100
                4s
                   +0 :               0.00006130201731
                3p
                   -1 :              -0.00010961632723
                   +0 :              -0.00004402906982
                   +1 :               0.00010815099322
                4p
                   -1 :               0.00000181654943
                   +0 :               0.00001589878175
                   +1 :               0.00001283454907
                3d
                   -2 :               0.00002114717675
                   -1 :               0.00002763767551
                   +0 :               0.00002193671116
                   +1 :               0.00002651818082
                   +2 :               0.00011768742061
              8 vec=    10.164264      5.868340     -9.763130   |vec|=   15.266578
                2s
                   +0 :               0.00027946781322
                2p
                   -1 :               0.00000371230517
                   +0 :              -0.00010491843140
                   +1 :               0.00014654248446
                3s
                   +0 :              -0.00092614083342
                4s
                   +0 :               0.00018816554109
                3p
                   -1 :               0.00001735931706
                   +0 :               0.00052977473244
                   +1 :              -0.00079412773016
                4p
                   -1 :              -0.00008844696663
                   +0 :              -0.00010262572391
                   +1 :               0.00015877244957
                3d
                   -2 :              -0.00009350173892
                   -1 :               0.00011684589824
                   +0 :               0.00001141683315
                   +1 :               0.00022434806073
                   +2 :              -0.00012743063507
              9 vec=    -5.396061     -3.115418     14.784412   |vec|=   16.043757
                2s
                   +0 :               0.00005118408126
                2p
                   -1 :               0.00002203833811
                   +0 :               0.00002838493878
                   +1 :              -0.00004157470335
                3s
                   +0 :              -0.00030922381647
                4s
                   +0 :               0.00010308062715
                3p
                   -1 :              -0.00016555278608
                   +0 :              -0.00018999781852
                   +1 :               0.00012003653667
                4p
                   -1 :               0.00004053638481
                   +0 :               0.00004860760525
                   +1 :              -0.00004593507112
                3d
                   -2 :               0.00001239954789
                   -1 :              -0.00000137916368
                   +0 :              -0.00003352844723
                   +1 :               0.00002709393975
                   +2 :               0.00002261600982
             10 vec=   -13.176224      1.376461     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00002834237366
                2p
                   -1 :               0.00000221260330
                   +0 :              -0.00001563940868
                   +1 :               0.00000371700813
                3s
                   +0 :              -0.00030972974200
                4s
                   +0 :               0.00007828230004
                3p
                   -1 :              -0.00008809278220
                   +0 :               0.00013542705886
                   +1 :               0.00010137881995
                4p
                   -1 :               0.00000967729165
                   +0 :              -0.00004429115097
                   +1 :              -0.00002619834890
                3d
                   -2 :               0.00004839694185
                   -1 :               0.00003229653329
                   +0 :              -0.00000320543142
                   +1 :              -0.00002729179613
                   +2 :               0.00000773443868
             11 vec=    -5.396061    -12.099176     -9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00006268093479
                2p
                   -1 :               0.00005372675227
                   +0 :              -0.00000028434127
                   +1 :              -0.00002070663774
                3s
                   +0 :               0.00015312860928
                4s
                   +0 :              -0.00007458581112
                3p
                   -1 :              -0.00021535069131
                   +0 :               0.00010205668980
                   +1 :               0.00009126904753
                4p
                   -1 :               0.00006045282685
                   +0 :              -0.00003498168898
                   +1 :              -0.00001667840897
                3d
                   -2 :              -0.00004825074374
                   -1 :               0.00001779854048
                   +0 :              -0.00003124587634
                   +1 :              -0.00002361895785
                   +2 :              -0.00006303713451
             12 vec=    -5.396061      5.868340     14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00004658567574
                2p
                   -1 :              -0.00006394928796
                   +0 :              -0.00000336762069
                   +1 :              -0.00000470409581
                3s
                   +0 :              -0.00018566865300
                4s
                   +0 :               0.00000255181657
                3p
                   -1 :               0.00021138547680
                   +0 :               0.00002486326784
                   +1 :              -0.00000560869893
                4p
                   -1 :              -0.00006234972156
                   +0 :              -0.00004351907151
                   +1 :              -0.00000405637949
                3d
                   -2 :              -0.00001907208329
                   -1 :               0.00002374815777
                   +0 :               0.00006555217024
                   +1 :              -0.00002280484942
                   +2 :               0.00005517956010
             13 vec=     2.384101     -7.607297     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00000970508319
                2p
                   -1 :              -0.00001654412915
                   +0 :              -0.00001925429675
                   +1 :              -0.00002249535713
                3s
                   +0 :              -0.00005314924786
                4s
                   +0 :              -0.00000533149348
                3p
                   -1 :               0.00016140549662
                   +0 :              -0.00003150843732
                   +1 :               0.00003057407897
                4p
                   -1 :              -0.00003645357879
                   +0 :              -0.00002337396376
                   +1 :              -0.00001095814705
                3d
                   -2 :               0.00003797679798
                   -1 :               0.00005176389018
                   +0 :              -0.00002229713805
                   +1 :              -0.00001533831286
                   +2 :               0.00004061374130
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al(  9)  npairs=  15
              1 vec=    -0.209286     -3.115418     10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00019756819408
                2p
                   -1 :               0.00025772491823
                   +0 :               0.00001207001152
                   +1 :               0.00008939356680
                3s
                   +0 :              -0.00077668706937
                4s
                   +0 :               0.00010376019163
                3p
                   -1 :              -0.00099540125584
                   +0 :               0.00011798532278
                   +1 :              -0.00089489713696
                4p
                   -1 :               0.00030595567103
                   +0 :              -0.00018649967346
                   +1 :               0.00009817518698
                3d
                   -2 :              -0.00021359974073
                   -1 :              -0.00006738538345
                   +0 :               0.00019659555119
                   +1 :              -0.00010951453016
                   +2 :               0.00015152078563
              2 vec=    -0.209286      5.868340     10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00043946841139
                2p
                   -1 :               0.00018446492142
                   +0 :               0.00013873886689
                   +1 :              -0.00029617367612
                3s
                   +0 :              -0.00120071578578
                4s
                   +0 :               0.00016077026992
                3p
                   -1 :              -0.00077641268004
                   +0 :              -0.00044840635212
                   +1 :               0.00160562863467
                4p
                   -1 :               0.00010646898985
                   +0 :               0.00000796995164
                   +1 :              -0.00023236971539
                3d
                   -2 :               0.00019338124920
                   -1 :              -0.00013688867610
                   +0 :               0.00013380640435
                   +1 :               0.00040587327640
                   +2 :               0.00001298462773
              3 vec=     7.570876      1.376461     10.693319   |vec|=   13.174213
                2s
                   +0 :              -0.00026043716971
                2p
                   -1 :               0.00010318209854
                   +0 :              -0.00005342552667
                   +1 :              -0.00005319307945
                3s
                   +0 :               0.00165212134070
                4s
                   +0 :              -0.00023890061955
                3p
                   -1 :              -0.00039710623186
                   +0 :               0.00091037524677
                   +1 :               0.00080916027847
                4p
                   -1 :               0.00023021716086
                   +0 :              -0.00004901249564
                   +1 :              -0.00005164700064
                3d
                   -2 :              -0.00002878645199
                   -1 :              -0.00003482123366
                   +0 :               0.00009104061681
                   +1 :               0.00028770698233
                   +2 :               0.00014177451568
              4 vec=    -7.989449      1.376461     10.693319   |vec|=   13.419128
                2s
                   +0 :              -0.00016540363834
                2p
                   -1 :               0.00006978441230
                   +0 :              -0.00011585870024
                   +1 :              -0.00004570328668
                3s
                   +0 :              -0.00083057127949
                4s
                   +0 :               0.00019044093987
                3p
                   -1 :              -0.00054098897970
                   +0 :              -0.00057151926824
                   +1 :               0.00105231092308
                4p
                   -1 :              -0.00004522072288
                   +0 :               0.00012845696591
                   +1 :              -0.00020014510876
                3d
                   -2 :               0.00015550727013
                   -1 :              -0.00031053886984
                   +0 :              -0.00021167077928
                   +1 :               0.00020132103962
                   +2 :              -0.00016197516540
              5 vec=    -0.209286     -3.115418    -13.854224   |vec|=   14.201730
                2s
                   +0 :              -0.00001916340549
                2p
                   -1 :               0.00001003985542
                   +0 :               0.00003585954256
                   +1 :               0.00004433890462
                3s
                   +0 :               0.00004243390853
                4s
                   +0 :              -0.00001545587434
                3p
                   -1 :              -0.00004019412540
                   +0 :              -0.00018552817550
                   +1 :              -0.00013540691911
                4p
                   -1 :              -0.00001895764577
                   +0 :               0.00005556925903
                   +1 :               0.00005877566797
                3d
                   -2 :               0.00004952034450
                   -1 :               0.00001326575861
                   +0 :               0.00001989494677
                   +1 :              -0.00002103783625
                   +2 :              -0.00000436436022
              6 vec=    -0.209286      5.868340    -13.854224   |vec|=   15.047283
                2s
                   +0 :              -0.00000098276583
                2p
                   -1 :               0.00003347436875
                   +0 :               0.00002917371547
                   +1 :              -0.00003250733560
                3s
                   +0 :               0.00006663637400
                4s
                   +0 :               0.00001575551067
                3p
                   -1 :              -0.00012058164909
                   +0 :              -0.00018882511182
                   +1 :               0.00007623639754
                4p
                   -1 :               0.00004735661249
                   +0 :               0.00004474818010
                   +1 :              -0.00001370257027
                3d
                   -2 :              -0.00007972013702
                   -1 :              -0.00006655774492
                   +0 :               0.00003445329045
                   +1 :               0.00002022402734
                   +2 :               0.00003566680158
              7 vec=     7.570876     -7.607297     10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00003495597910
                2p
                   -1 :              -0.00003259682600
                   +0 :               0.00000659972174
                   +1 :              -0.00006529943647
                3s
                   +0 :               0.00036661121366
                4s
                   +0 :              -0.00011224146795
                3p
                   -1 :              -0.00004398774711
                   +0 :               0.00013308725473
                   +1 :               0.00030466916812
                4p
                   -1 :              -0.00000263043993
                   +0 :              -0.00001383154640
                   +1 :              -0.00010226499025
                3d
                   -2 :              -0.00003303209701
                   -1 :              -0.00003624172773
                   +0 :               0.00003361678112
                   +1 :               0.00002129231526
                   +2 :              -0.00003005652271
              8 vec=    -7.989449     -7.607297     10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00009428110931
                2p
                   -1 :               0.00001073385046
                   +0 :              -0.00006096607366
                   +1 :               0.00001865108912
                3s
                   +0 :               0.00012417498105
                4s
                   +0 :              -0.00003378765518
                3p
                   -1 :               0.00014610606761
                   +0 :               0.00022935019621
                   +1 :              -0.00008900625379
                4p
                   -1 :              -0.00005188201970
                   +0 :              -0.00008122041494
                   +1 :              -0.00001354469068
                3d
                   -2 :              -0.00001425949319
                   -1 :               0.00003346218381
                   +0 :               0.00000779330318
                   +1 :              -0.00003586348601
                   +2 :               0.00004016946114
              9 vec=     7.570876      1.376461    -13.854224   |vec|=   15.847786
                2s
                   +0 :               0.00005568607482
                2p
                   -1 :              -0.00001555888126
                   +0 :               0.00000537694635
                   +1 :               0.00002362462195
                3s
                   +0 :              -0.00009312093561
                4s
                   +0 :              -0.00002316600237
                3p
                   -1 :               0.00002728378863
                   +0 :              -0.00015065396234
                   +1 :              -0.00010307143118
                4p
                   -1 :              -0.00001128942952
                   +0 :               0.00007656148381
                   +1 :              -0.00000094285415
                3d
                   -2 :               0.00000344660442
                   -1 :              -0.00001614956843
                   +0 :               0.00005623362165
                   +1 :              -0.00000573581269
                   +2 :              -0.00003276983959
             10 vec=    -7.989449      1.376461    -13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00001353304637
                2p
                   -1 :              -0.00003947658690
                   +0 :               0.00001249545378
                   +1 :               0.00000406690493
                3s
                   +0 :              -0.00015817957547
                4s
                   +0 :               0.00005074766360
                3p
                   -1 :               0.00021144946199
                   +0 :               0.00002126820945
                   +1 :              -0.00003293219684
                4p
                   -1 :              -0.00002410097263
                   +0 :              -0.00001638863759
                   +1 :              -0.00000043485606
                3d
                   -2 :              -0.00002667632779
                   -1 :               0.00000638319917
                   +0 :              -0.00001008497838
                   +1 :               0.00004542936256
                   +2 :               0.00000849251823
             11 vec=    -0.209286    -12.099176     10.693319   |vec|=   16.148712
                2s
                   +0 :               0.00004662958192
                2p
                   -1 :              -0.00001273700543
                   +0 :               0.00003983243473
                   +1 :               0.00001522968863
                3s
                   +0 :              -0.00019865584394
                4s
                   +0 :               0.00007303612080
                3p
                   -1 :               0.00005728940505
                   +0 :              -0.00021208431392
                   +1 :              -0.00006764081932
                4p
                   -1 :              -0.00001092267704
                   +0 :               0.00007352554221
                   +1 :               0.00002387335245
                3d
                   -2 :               0.00000996046197
                   -1 :               0.00004676191011
                   +0 :              -0.00004045402830
                   +1 :              -0.00000550686903
                   +2 :              -0.00001360679928
             12 vec=     7.570876     10.360219     10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00006240442099
                2p
                   -1 :               0.00004600721159
                   +0 :               0.00006369707567
                   +1 :               0.00001080476403
                3s
                   +0 :              -0.00022691267165
                4s
                   +0 :               0.00014110018441
                3p
                   -1 :              -0.00024609783499
                   +0 :              -0.00032969226029
                   +1 :              -0.00003097765997
                4p
                   -1 :               0.00008422419995
                   +0 :               0.00010824411068
                   +1 :               0.00002014263860
                3d
                   -2 :               0.00000819614332
                   -1 :              -0.00006128506189
                   +0 :              -0.00009012802407
                   +1 :              -0.00001233722068
                   +2 :               0.00008592599744
             13 vec=    -7.989449     10.360219     10.693319   |vec|=   16.897115
                2s
                   +0 :               0.00007098379501
                2p
                   -1 :              -0.00003631082378
                   +0 :               0.00001629209724
                   +1 :              -0.00003070407465
                3s
                   +0 :              -0.00028119064112
                4s
                   +0 :               0.00004178415832
                3p
                   -1 :               0.00026806697657
                   +0 :              -0.00012313374780
                   +1 :               0.00019134084032
                4p
                   -1 :              -0.00012923698303
                   +0 :               0.00001720830487
                   +1 :              -0.00004298876417
                3d
                   -2 :              -0.00001638038996
                   -1 :               0.00001922341918
                   +0 :              -0.00005337459348
                   +1 :              -0.00001261607046
                   +2 :              -0.00005960122020
             14 vec=     7.570876     -7.607297    -13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00002950308815
                2p
                   -1 :              -0.00000586566793
                   +0 :              -0.00000130595464
                   +1 :               0.00001093785655
                3s
                   +0 :               0.00005901502384
                4s
                   +0 :              -0.00001946884928
                3p
                   -1 :              -0.00004275824652
                   +0 :              -0.00007057040863
                   +1 :               0.00005227718665
                4p
                   -1 :               0.00001143433648
                   +0 :               0.00004192767626
                   +1 :               0.00000810541927
                3d
                   -2 :              -0.00001627049703
                   -1 :              -0.00000061370821
                   +0 :              -0.00001740870510
                   +1 :              -0.00000241250973
                   +2 :               0.00000839867710
             15 vec=    -7.989449     -7.607297    -13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00004198024111
                2p
                   -1 :              -0.00000999987810
                   +0 :               0.00000555028775
                   +1 :               0.00000016305767
                3s
                   +0 :              -0.00021989159279
                4s
                   +0 :               0.00002767241088
                3p
                   -1 :               0.00013185602411
                   +0 :              -0.00002033476326
                   +1 :               0.00000856185414
                4p
                   -1 :              -0.00001526734147
                   +0 :               0.00001748722478
                   +1 :               0.00001837147424
                3d
                   -2 :              -0.00003354244744
                   -1 :              -0.00001576756729
                   +0 :               0.00003054984174
                   +1 :               0.00001220214254
                   +2 :               0.00000972981976
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al( 10)  npairs=  13
              1 vec=    -0.209286     -3.115418     -6.601898   |vec|=    7.303060
                2s
                   +0 :               0.00285563395185
                2p
                   -1 :              -0.00056816064717
                   +0 :              -0.00100319311412
                   +1 :               0.00040211120558
                3s
                   +0 :              -0.00971838597091
                4s
                   +0 :               0.00335718094692
                3p
                   -1 :               0.00164780471651
                   +0 :               0.00433917941556
                   +1 :              -0.00802309456193
                4p
                   -1 :               0.00010795930304
                   +0 :              -0.00104335823937
                   +1 :               0.00079609101047
                3d
                   -2 :               0.00140854048189
                   -1 :              -0.00044309952652
                   +0 :              -0.00020102734208
                   +1 :               0.00212620239041
                   +2 :              -0.00034517738608
              2 vec=    -0.209286      5.868340     -6.601898   |vec|=    8.835512
                2s
                   +0 :               0.00057192163085
                2p
                   -1 :               0.00037609514907
                   +0 :               0.00002097510505
                   +1 :              -0.00085072715551
                3s
                   +0 :              -0.00508447420280
                4s
                   +0 :               0.00236069376191
                3p
                   -1 :              -0.00413821305882
                   +0 :               0.00161154568924
                   +1 :               0.00516401375275
                4p
                   -1 :               0.00132730927583
                   +0 :              -0.00064227550446
                   +1 :              -0.00188765834191
                3d
                   -2 :               0.00159059291190
                   -1 :               0.00073944791122
                   +0 :              -0.00009021662564
                   +1 :              -0.00079035729211
                   +2 :               0.00083556344778
              3 vec=     7.570876      1.376461     -6.601898   |vec|=   10.138928
                2s
                   +0 :              -0.00017542612607
                2p
                   -1 :              -0.00025899401964
                   +0 :              -0.00025855632669
                   +1 :              -0.00045543156888
                3s
                   +0 :               0.00239929235196
                4s
                   +0 :              -0.00128823572723
                3p
                   -1 :               0.00221879139380
                   +0 :               0.00073853455540
                   +1 :               0.00334393496071
                4p
                   -1 :              -0.00038546868738
                   +0 :               0.00009122199014
                   +1 :              -0.00125203837234
                3d
                   -2 :               0.00044162480236
                   -1 :              -0.00047472455210
                   +0 :              -0.00009887132982
                   +1 :              -0.00009004805682
                   +2 :               0.00054323223209
              4 vec=    -7.989449      1.376461     -6.601898   |vec|=   10.455190
                2s
                   +0 :               0.00146154944737
                2p
                   -1 :              -0.00012151493077
                   +0 :              -0.00040531938981
                   +1 :              -0.00043133724816
                3s
                   +0 :              -0.00595620835427
                4s
                   +0 :               0.00188752721528
                3p
                   -1 :               0.00025593462518
                   +0 :               0.00244402007415
                   +1 :               0.00251721425369
                4p
                   -1 :              -0.00019342660059
                   +0 :              -0.00064491074345
                   +1 :              -0.00060912913157
                3d
                   -2 :              -0.00028858357746
                   -1 :              -0.00008901445943
                   +0 :              -0.00049643862513
                   +1 :              -0.00034306126440
                   +2 :              -0.00045498118722
              5 vec=     7.570876     -7.607297     -6.601898   |vec|=   12.600563
                2s
                   +0 :               0.00048554564769
                2p
                   -1 :              -0.00004634802840
                   +0 :              -0.00027410577980
                   +1 :               0.00028212772176
                3s
                   +0 :              -0.00162059914527
                4s
                   +0 :               0.00069530359436
                3p
                   -1 :               0.00020167236404
                   +0 :               0.00133073863328
                   +1 :              -0.00143578687341
                4p
                   -1 :              -0.00005658087426
                   +0 :              -0.00039973183419
                   +1 :               0.00040949055823
                3d
                   -2 :               0.00002347015054
                   -1 :              -0.00008206893805
                   +0 :              -0.00004281045581
                   +1 :               0.00026794591186
                   +2 :              -0.00013490178366
              6 vec=    -7.989449     -7.607297     -6.601898   |vec|=   12.856411
                2s
                   +0 :               0.00015220984657
                2p
                   -1 :              -0.00000733328806
                   +0 :              -0.00014619221168
                   +1 :               0.00000555033314
                3s
                   +0 :              -0.00108761387262
                4s
                   +0 :               0.00018263686080
                3p
                   -1 :               0.00016722930524
                   +0 :               0.00105908452196
                   +1 :               0.00010102151057
                4p
                   -1 :              -0.00006881411902
                   +0 :              -0.00020406382152
                   +1 :               0.00015363910944
                3d
                   -2 :              -0.00006065499011
                   -1 :              -0.00016635076673
                   +0 :              -0.00021409537506
                   +1 :              -0.00021369262462
                   +2 :               0.00006434181157
              7 vec=    -0.209286    -12.099176     -6.601898   |vec|=   13.784734
                2s
                   +0 :               0.00004094930810
                2p
                   -1 :              -0.00002122288147
                   +0 :               0.00004096391627
                   +1 :               0.00008689329160
                3s
                   +0 :              -0.00026175249757
                4s
                   +0 :               0.00009127721328
                3p
                   -1 :               0.00018208355734
                   +0 :              -0.00015091113647
                   +1 :              -0.00039069575178
                4p
                   -1 :              -0.00002886352781
                   +0 :               0.00002293499461
                   +1 :               0.00009653402007
                3d
                   -2 :              -0.00003405132013
                   -1 :               0.00001075280648
                   +0 :              -0.00002580163059
                   +1 :               0.00016071793825
                   +2 :               0.00002457834353
              8 vec=     7.570876     10.360219     -6.601898   |vec|=   14.430432
                2s
                   +0 :              -0.00010445309817
                2p
                   -1 :              -0.00001559039829
                   +0 :               0.00010220497720
                   +1 :              -0.00003495311954
                3s
                   +0 :               0.00071205663429
                4s
                   +0 :              -0.00031439152647
                3p
                   -1 :               0.00036238018168
                   +0 :              -0.00060066492435
                   +1 :               0.00030241481549
                4p
                   -1 :              -0.00016536664443
                   +0 :               0.00014558471335
                   +1 :              -0.00011694077585
                3d
                   -2 :               0.00009679941980
                   -1 :              -0.00004321782755
                   +0 :               0.00003284127193
                   +1 :              -0.00003483058975
                   +2 :              -0.00001852854093
              9 vec=    -7.989449     10.360219     -6.601898   |vec|=   14.654368
                2s
                   +0 :              -0.00012086516029
                2p
                   -1 :              -0.00003658581700
                   +0 :               0.00000941651531
                   +1 :               0.00001035746873
                3s
                   +0 :               0.00022179789054
                4s
                   +0 :               0.00000838003613
                3p
                   -1 :               0.00018348165621
                   +0 :               0.00004197961473
                   +1 :               0.00003323455757
                4p
                   -1 :              -0.00003739251726
                   +0 :              -0.00005148028734
                   +1 :              -0.00005091395821
                3d
                   -2 :               0.00004627487706
                   -1 :              -0.00003322670608
                   +0 :              -0.00010364799396
                   +1 :               0.00004048313487
                   +2 :              -0.00006971591128
             10 vec=    -0.209286     14.852098     -6.601898   |vec|=   16.254651
                2s
                   +0 :               0.00002299590368
                2p
                   -1 :               0.00000992782717
                   +0 :               0.00001749541185
                   +1 :              -0.00003114604510
                3s
                   +0 :              -0.00003454031681
                4s
                   +0 :               0.00002677347950
                3p
                   -1 :              -0.00002207897276
                   +0 :              -0.00008534007340
                   +1 :               0.00016539576536
                4p
                   -1 :               0.00001259358377
                   +0 :              -0.00000198968198
                   +1 :              -0.00003085819223
                3d
                   -2 :               0.00005831825475
                   -1 :              -0.00003421599827
                   +0 :              -0.00000858340001
                   +1 :               0.00000058288491
                   +2 :               0.00000387155378
             11 vec=    15.351039     -3.115418     -6.601898   |vec|=   16.998390
                2s
                   +0 :              -0.00009209396486
                2p
                   -1 :               0.00001425055064
                   +0 :               0.00002708008826
                   +1 :              -0.00002393896529
                3s
                   +0 :               0.00056983759515
                4s
                   +0 :              -0.00011915447824
                3p
                   -1 :              -0.00014476491347
                   +0 :              -0.00027895625693
                   +1 :               0.00021883476228
                4p
                   -1 :               0.00000363836415
                   +0 :               0.00004753942938
                   +1 :              -0.00002164142018
                3d
                   -2 :              -0.00003429226892
                   -1 :               0.00002620651821
                   +0 :               0.00003302479024
                   +1 :              -0.00007019738462
                   +2 :               0.00003806449128
             12 vec=   -15.769612     -3.115418     -6.601898   |vec|=   17.377328
                2s
                   +0 :               0.00001619583658
                2p
                   -1 :              -0.00001383290822
                   +0 :              -0.00000045041323
                   +1 :               0.00002782447332
                3s
                   +0 :              -0.00020739349557
                4s
                   +0 :               0.00003076418289
                3p
                   -1 :               0.00010666680951
                   +0 :               0.00007845644059
                   +1 :              -0.00007874047079
                4p
                   -1 :              -0.00003145779745
                   +0 :              -0.00000637566393
                   +1 :               0.00003597096737
                3d
                   -2 :              -0.00003040477491
                   -1 :              -0.00000618279241
                   +0 :              -0.00000457576613
                   +1 :              -0.00000376610091
                   +2 :               0.00000134214180
             13 vec=    15.351039      5.868340     -6.601898   |vec|=   17.710925
                2s
                   +0 :              -0.00003126325873
                2p
                   -1 :              -0.00003058312725
                   +0 :              -0.00000561446953
                   +1 :               0.00001985783493
                3s
                   +0 :               0.00017961947558
                4s
                   +0 :              -0.00005786920699
                3p
                   -1 :               0.00015691378179
                   +0 :               0.00001721308996
                   +1 :              -0.00008050736430
                4p
                   -1 :              -0.00004411308959
                   +0 :              -0.00000487587911
                   +1 :               0.00002497406348
                3d
                   -2 :              -0.00000313942490
                   -1 :              -0.00000619382039
                   +0 :               0.00002507362398
                   +1 :               0.00002816838840
                   +2 :               0.00000295109292
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al( 11)  npairs=  14
              1 vec=    -0.209286     -3.115418      5.671873   |vec|=    6.474548
                2s
                   +0 :              -0.00022880928416
                2p
                   -1 :              -0.00008156398163
                   +0 :              -0.00035133637459
                   +1 :               0.00076418647863
                3s
                   +0 :               0.00120819897436
                4s
                   +0 :              -0.00177837835446
                3p
                   -1 :              -0.00071735045484
                   +0 :               0.00325467907460
                   +1 :              -0.00415598554941
                4p
                   -1 :               0.00097291314788
                   +0 :              -0.00126706776557
                   +1 :               0.00088882327181
                3d
                   -2 :              -0.00119043478669
                   -1 :              -0.00026904832670
                   +0 :               0.00023285610867
                   +1 :               0.00218388247424
                   +2 :              -0.00057553107269
              2 vec=    -0.209286      5.868340      5.671873   |vec|=    8.164029
                2s
                   +0 :              -0.00042889991083
                2p
                   -1 :               0.00002085976897
                   +0 :              -0.00060161379687
                   +1 :              -0.00082584504677
                3s
                   +0 :              -0.00046531862197
                4s
                   +0 :               0.00089853865270
                3p
                   -1 :              -0.00160790200161
                   +0 :               0.00347194418936
                   +1 :               0.00601691413396
                4p
                   -1 :               0.00038164579603
                   +0 :              -0.00076265336805
                   +1 :              -0.00145699982031
                3d
                   -2 :               0.00152874121166
                   -1 :               0.00082564081312
                   +0 :               0.00059875093946
                   +1 :               0.00114882717729
                   +2 :               0.00042497879809
              3 vec=     7.570876      1.376461      5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00061252102113
                2p
                   -1 :              -0.00091050749866
                   +0 :               0.00048460701651
                   +1 :              -0.00008321906013
                3s
                   +0 :              -0.00083445092416
                4s
                   +0 :               0.00001781385235
                3p
                   -1 :               0.00503084207901
                   +0 :              -0.00124272645647
                   +1 :               0.00075464928539
                4p
                   -1 :              -0.00118641183329
                   +0 :               0.00022997486708
                   +1 :              -0.00036995099584
                3d
                   -2 :               0.00046630591453
                   -1 :               0.00075253393082
                   +0 :               0.00041568322507
                   +1 :               0.00013285131772
                   +2 :               0.00037604245995
              4 vec=    -7.989449      1.376461      5.671873   |vec|=    9.894245
                2s
                   +0 :              -0.00244330614881
                2p
                   -1 :               0.00137728012034
                   +0 :               0.00006160682538
                   +1 :               0.00124543857872
                3s
                   +0 :               0.00669702341766
                4s
                   +0 :              -0.00181361192315
                3p
                   -1 :              -0.00660429194525
                   +0 :              -0.00186028229098
                   +1 :              -0.00519392189847
                4p
                   -1 :               0.00125385124707
                   +0 :               0.00119516086568
                   +1 :               0.00102989832950
                3d
                   -2 :               0.00139148831475
                   -1 :              -0.00071961386575
                   +0 :              -0.00091621060474
                   +1 :               0.00005413633027
                   +2 :               0.00026808691797
              5 vec=     7.570876     -7.607297      5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00022577519069
                2p
                   -1 :              -0.00016963467056
                   +0 :               0.00016650865898
                   +1 :               0.00016432616102
                3s
                   +0 :              -0.00069936105178
                4s
                   +0 :               0.00049387337027
                3p
                   -1 :               0.00117466270025
                   +0 :              -0.00029998396476
                   +1 :              -0.00070837969300
                4p
                   -1 :              -0.00042175153776
                   +0 :               0.00012556259614
                   +1 :               0.00029549325067
                3d
                   -2 :               0.00016757486962
                   -1 :               0.00008489428698
                   +0 :               0.00010069518629
                   +1 :              -0.00004331514885
                   +2 :               0.00009902672488
              6 vec=    -7.989449     -7.607297      5.671873   |vec|=   12.404532
                2s
                   +0 :              -0.00019757500196
                2p
                   -1 :               0.00013082926290
                   +0 :              -0.00009201247385
                   +1 :               0.00016584228592
                3s
                   +0 :               0.00027473512297
                4s
                   +0 :              -0.00015243128493
                3p
                   -1 :              -0.00058031051458
                   +0 :               0.00015628096201
                   +1 :              -0.00022810420578
                4p
                   -1 :               0.00011033086994
                   +0 :               0.00002206121268
                   +1 :               0.00007295875934
                3d
                   -2 :               0.00024675670222
                   -1 :              -0.00021297877125
                   +0 :               0.00003394632080
                   +1 :              -0.00012353994277
                   +2 :              -0.00010774631859
              7 vec=    -0.209286    -12.099176      5.671873   |vec|=   13.364281
                2s
                   +0 :              -0.00001737034167
                2p
                   -1 :              -0.00000733914415
                   +0 :              -0.00005070240556
                   +1 :              -0.00001279226119
                3s
                   +0 :               0.00003406711200
                4s
                   +0 :               0.00002354380248
                3p
                   -1 :               0.00003737321542
                   +0 :               0.00015722736541
                   +1 :              -0.00000556562858
                4p
                   -1 :              -0.00003401986512
                   +0 :               0.00003345464827
                   +1 :              -0.00000983331810
                3d
                   -2 :               0.00009488172435
                   -1 :              -0.00004522779787
                   +0 :              -0.00000727615847
                   +1 :              -0.00005011816138
                   +2 :               0.00002140147484
              8 vec=     7.570876     10.360219      5.671873   |vec|=   14.029343
                2s
                   +0 :               0.00048111576543
                2p
                   -1 :               0.00020400414059
                   +0 :               0.00011367457689
                   +1 :              -0.00005108303739
                3s
                   +0 :              -0.00111975848372
                4s
                   +0 :               0.00019334714284
                3p
                   -1 :              -0.00054995687046
                   +0 :              -0.00046745920085
                   +1 :               0.00035520770442
                4p
                   -1 :               0.00002669495340
                   +0 :               0.00013874564644
                   +1 :              -0.00015462772510
                3d
                   -2 :               0.00002626200659
                   -1 :              -0.00021041159579
                   +0 :               0.00002394647881
                   +1 :               0.00005687634280
                   +2 :               0.00009246703157
              9 vec=    -7.989449     10.360219      5.671873   |vec|=   14.259579
                2s
                   +0 :              -0.00007523893685
                2p
                   -1 :              -0.00003706368665
                   +0 :              -0.00005283909250
                   +1 :               0.00010673723869
                3s
                   +0 :               0.00041179738245
                4s
                   +0 :              -0.00023485130279
                3p
                   -1 :               0.00024738602470
                   +0 :               0.00016690899186
                   +1 :              -0.00072665210131
                4p
                   -1 :              -0.00011143695308
                   +0 :              -0.00005929121051
                   +1 :               0.00022558521243
                3d
                   -2 :              -0.00000621495262
                   -1 :              -0.00003674539772
                   +0 :              -0.00011804116800
                   +1 :              -0.00010229048619
                   +2 :               0.00003394551174
             10 vec=    -0.209286     14.852098      5.671873   |vec|=   15.899647
                2s
                   +0 :              -0.00007878404726
                2p
                   -1 :              -0.00005907111403
                   +0 :              -0.00005294742967
                   +1 :               0.00002200562673
                3s
                   +0 :               0.00026273683242
                4s
                   +0 :              -0.00003684317655
                3p
                   -1 :               0.00034371770221
                   +0 :               0.00024299194579
                   +1 :              -0.00011393748512
                4p
                   -1 :              -0.00005932691669
                   +0 :              -0.00005210283304
                   +1 :               0.00002914940238
                3d
                   -2 :              -0.00001369044756
                   -1 :               0.00005300886875
                   +0 :              -0.00004228282702
                   +1 :              -0.00005212162052
                   +2 :              -0.00009296233526
             11 vec=    15.351039     -3.115418      5.671873   |vec|=   16.659243
                2s
                   +0 :               0.00007849811278
                2p
                   -1 :              -0.00001917542589
                   +0 :               0.00004585900031
                   +1 :               0.00004949543188
                3s
                   +0 :              -0.00004843281146
                4s
                   +0 :               0.00002618825921
                3p
                   -1 :               0.00000660806992
                   +0 :              -0.00019952425986
                   +1 :              -0.00011431047294
                4p
                   -1 :              -0.00000292457581
                   +0 :               0.00002615139865
                   +1 :               0.00002621705357
                3d
                   -2 :               0.00002931318913
                   -1 :               0.00003266890699
                   +0 :              -0.00001975763360
                   +1 :              -0.00009937504235
                   +2 :              -0.00003773517836
             12 vec=   -15.769612     -3.115418      5.671873   |vec|=   17.045722
                2s
                   +0 :              -0.00015248666410
                2p
                   -1 :               0.00006851796434
                   +0 :              -0.00004763068062
                   +1 :               0.00008389306179
                3s
                   +0 :               0.00048554385276
                4s
                   +0 :              -0.00019074192352
                3p
                   -1 :              -0.00031876856611
                   +0 :               0.00022047306467
                   +1 :              -0.00045534861146
                4p
                   -1 :               0.00006642021817
                   +0 :              -0.00005011212332
                   +1 :               0.00012757869200
                3d
                   -2 :               0.00009317863732
                   -1 :              -0.00008045795773
                   +0 :              -0.00000211230787
                   +1 :              -0.00011466303753
                   +2 :               0.00003337440244
             13 vec=    15.351039      5.868340      5.671873   |vec|=   17.385683
                2s
                   +0 :              -0.00002821156153
                2p
                   -1 :               0.00000853453582
                   +0 :               0.00001991789124
                   +1 :              -0.00003944246190
                3s
                   +0 :               0.00012312045896
                4s
                   +0 :              -0.00005312409805
                3p
                   -1 :              -0.00005504570275
                   +0 :              -0.00003823616922
                   +1 :               0.00019200261982
                4p
                   -1 :               0.00001454612539
                   +0 :              -0.00001444266744
                   +1 :              -0.00005937349860
                3d
                   -2 :               0.00001116226559
                   -1 :              -0.00000606847360
                   +0 :               0.00002642037377
                   +1 :               0.00001226003522
                   +2 :               0.00001504678087
             14 vec=   -15.769612      5.868340      5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00001615765939
                2p
                   -1 :               0.00000590677462
                   +0 :               0.00001443545283
                   +1 :               0.00000354729243
                3s
                   +0 :              -0.00013305699195
                4s
                   +0 :               0.00004690798308
                3p
                   -1 :               0.00000944594223
                   +0 :              -0.00001045123824
                   +1 :               0.00004901441782
                4p
                   -1 :              -0.00002902384242
                   +0 :              -0.00003260605665
                   +1 :              -0.00002397591830
                3d
                   -2 :               0.00001384216071
                   -1 :              -0.00004563683591
                   +0 :              -0.00000085230805
                   +1 :              -0.00001626087480
                   +2 :               0.00007052337015
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site Al( 12)  npairs=  14
              1 vec=    -0.209286     -3.115418     -1.580453   |vec|=    3.499637
                2s
                   +0 :              -0.00171589911493
                2p
                   -1 :               0.00276199062406
                   +0 :               0.00181994305838
                   +1 :              -0.00748501097859
                3s
                   +0 :              -0.01918939385350
                4s
                   +0 :               0.00369712115603
                3p
                   -1 :               0.01658963617787
                   +0 :               0.00234158295528
                   +1 :              -0.03923330170928
                4p
                   -1 :              -0.00029303863529
                   +0 :               0.00068421111115
                   +1 :              -0.00150673209893
                3d
                   -2 :               0.03259004781267
                   -1 :              -0.00606914388618
                   +0 :               0.00168264210997
                   +1 :               0.01774187919942
                   +2 :               0.00984757707602
              2 vec=    -0.209286      5.868340     -1.580453   |vec|=    6.081040
                2s
                   +0 :              -0.00080545964528
                2p
                   -1 :              -0.00157587138127
                   +0 :              -0.00077277745272
                   +1 :               0.00077086376294
                3s
                   +0 :               0.00524378598190
                4s
                   +0 :              -0.00152797844796
                3p
                   -1 :               0.00492512709670
                   +0 :               0.00538454111841
                   +1 :              -0.00384977554951
                4p
                   -1 :              -0.00190163318524
                   +0 :              -0.00180719225960
                   +1 :               0.00206657066221
                3d
                   -2 :               0.00231989545678
                   -1 :               0.00117425154476
                   +0 :               0.00027149184009
                   +1 :              -0.00030055719500
                   +2 :               0.00207997568942
              3 vec=     7.570876      1.376461     -1.580453   |vec|=    7.855612
                2s
                   +0 :               0.00001158035837
                2p
                   -1 :              -0.00001343495109
                   +0 :               0.00026621417339
                   +1 :              -0.00061410891044
                3s
                   +0 :               0.01593983078487
                4s
                   +0 :              -0.00019674767969
                3p
                   -1 :               0.00832134130269
                   +0 :              -0.01140591363283
                   +1 :               0.00606030211788
                4p
                   -1 :               0.00013899470449
                   +0 :               0.00066298834905
                   +1 :              -0.00016643255650
                3d
                   -2 :               0.00335516419475
                   -1 :              -0.00282654023994
                   +0 :               0.00114352189524
                   +1 :              -0.00367456632015
                   +2 :              -0.00138077993503
              4 vec=    -7.989449      1.376461     -1.580453   |vec|=    8.259768
                2s
                   +0 :               0.00061329117509
                2p
                   -1 :               0.00083689951655
                   +0 :              -0.00034252548467
                   +1 :               0.00091988970133
                3s
                   +0 :              -0.00965400660341
                4s
                   +0 :               0.00144273775602
                3p
                   -1 :              -0.01065603234968
                   +0 :               0.00779450982632
                   +1 :              -0.00438270880081
                4p
                   -1 :               0.00134391271798
                   +0 :              -0.00100342563105
                   +1 :               0.00092078800142
                3d
                   -2 :               0.00124053731547
                   -1 :               0.00394889922147
                   +0 :              -0.00127556838890
                   +1 :              -0.00078786319478
                   +2 :               0.00385698675765
              5 vec=     7.570876     -7.607297     -1.580453   |vec|=   10.848362
                2s
                   +0 :              -0.00015465002411
                2p
                   -1 :               0.00024069862054
                   +0 :               0.00010140347308
                   +1 :               0.00015354605837
                3s
                   +0 :               0.00203584570888
                4s
                   +0 :              -0.00027035929240
                3p
                   -1 :              -0.00216918843424
                   +0 :              -0.00105811052221
                   +1 :              -0.00066231784440
                4p
                   -1 :               0.00029865025708
                   +0 :               0.00006576871764
                   +1 :               0.00007851966991
                3d
                   -2 :               0.00008231744211
                   -1 :               0.00036064181197
                   +0 :              -0.00010401580230
                   +1 :              -0.00000928141058
                   +2 :              -0.00045947539359
              6 vec=    -7.989449     -7.607297     -1.580453   |vec|=   11.144509
                2s
                   +0 :               0.00059451380602
                2p
                   -1 :              -0.00000832271976
                   +0 :               0.00008420550397
                   +1 :              -0.00023860965925
                3s
                   +0 :              -0.00390963812583
                4s
                   +0 :               0.00084220979998
                3p
                   -1 :               0.00147016216188
                   +0 :               0.00051436336101
                   +1 :               0.00183941208759
                4p
                   -1 :              -0.00001293738249
                   +0 :              -0.00003079976224
                   +1 :              -0.00045362510130
                3d
                   -2 :              -0.00040094329082
                   -1 :              -0.00045411871127
                   +0 :              -0.00005244594852
                   +1 :               0.00005514096230
                   +2 :              -0.00010511630628
              7 vec=    -0.209286    -12.099176     -1.580453   |vec|=   12.203757
                2s
                   +0 :               0.00019482165832
                2p
                   -1 :              -0.00015760321448
                   +0 :              -0.00017565175941
                   +1 :               0.00005256867591
                3s
                   +0 :              -0.00026645650908
                4s
                   +0 :               0.00008785057809
                3p
                   -1 :               0.00047844440107
                   +0 :               0.00061822747872
                   +1 :               0.00003352775384
                4p
                   -1 :              -0.00013573420128
                   +0 :              -0.00013332199498
                   +1 :               0.00007764676876
                3d
                   -2 :              -0.00026050491730
                   -1 :              -0.00010038148928
                   +0 :               0.00006262219909
                   +1 :              -0.00002686832125
                   +2 :               0.00009798015175
              8 vec=     7.570876     10.360219     -1.580453   |vec|=   12.928656
                2s
                   +0 :              -0.00028559029371
                2p
                   -1 :               0.00002840424846
                   +0 :              -0.00006125067397
                   +1 :               0.00015149672057
                3s
                   +0 :               0.00179147979115
                4s
                   +0 :              -0.00022906213012
                3p
                   -1 :              -0.00030510415931
                   +0 :              -0.00072296496087
                   +1 :               0.00011916693326
                4p
                   -1 :               0.00006853852793
                   +0 :               0.00008879070132
                   +1 :               0.00021855456707
                3d
                   -2 :              -0.00030904428860
                   -1 :               0.00006789462340
                   +0 :               0.00008346943331
                   +1 :              -0.00046538057558
                   +2 :               0.00021113954438
              9 vec=    -7.989449     10.360219     -1.580453   |vec|=   13.178136
                2s
                   +0 :               0.00025023915144
                2p
                   -1 :               0.00006828475264
                   +0 :              -0.00010009569877
                   +1 :               0.00009499029056
                3s
                   +0 :              -0.00233203290355
                4s
                   +0 :               0.00011829545833
                3p
                   -1 :              -0.00053143807857
                   +0 :               0.00180040324996
                   +1 :               0.00071087489230
                4p
                   -1 :              -0.00003926352530
                   +0 :              -0.00030920892945
                   +1 :               0.00017409412406
                3d
                   -2 :               0.00011540558279
                   -1 :               0.00041111485983
                   +0 :              -0.00020544478962
                   +1 :              -0.00069889221106
                   +2 :              -0.00023352227750
             10 vec=    -0.209286     14.852098     -1.580453   |vec|=   14.937418
                2s
                   +0 :              -0.00004279402608
                2p
                   -1 :              -0.00005803524877
                   +0 :              -0.00000294044623
                   +1 :              -0.00001799989445
                3s
                   +0 :               0.00032036695796
                4s
                   +0 :              -0.00018552702811
                3p
                   -1 :               0.00047605363424
                   +0 :              -0.00001298776511
                   +1 :              -0.00007519183617
                4p
                   -1 :              -0.00016865175099
                   +0 :               0.00000916400355
                   +1 :              -0.00002342967636
                3d
                   -2 :               0.00001207226799
                   -1 :              -0.00003218442624
                   +0 :              -0.00000050726798
                   +1 :               0.00009413311122
                   +2 :              -0.00005885519992
             11 vec=    15.351039     -3.115418     -1.580453   |vec|=   15.743508
                2s
                   +0 :              -0.00015398951596
                2p
                   -1 :               0.00001387616316
                   +0 :               0.00004426828030
                   +1 :              -0.00009365884935
                3s
                   +0 :               0.00051745815692
                4s
                   +0 :              -0.00020834339396
                3p
                   -1 :              -0.00017416783948
                   +0 :              -0.00030691839352
                   +1 :               0.00048847630733
                4p
                   -1 :               0.00005756154701
                   +0 :               0.00008399064934
                   +1 :              -0.00011393713605
                3d
                   -2 :              -0.00012129520601
                   -1 :               0.00003843307833
                   +0 :              -0.00009752207246
                   +1 :              -0.00008301595639
                   +2 :               0.00007180090435
             12 vec=   -15.769612     -3.115418     -1.580453   |vec|=   16.151913
                2s
                   +0 :               0.00004434987050
                2p
                   -1 :               0.00003542639327
                   +0 :               0.00000973122747
                   +1 :               0.00001012227631
                3s
                   +0 :              -0.00009792499538
                4s
                   +0 :              -0.00007948123639
                3p
                   -1 :              -0.00026729351831
                   +0 :              -0.00002227285496
                   +1 :              -0.00022086578908
                4p
                   -1 :               0.00011778805660
                   +0 :               0.00003121846913
                   +1 :               0.00013454602029
                3d
                   -2 :               0.00007914129520
                   -1 :               0.00002235336966
                   +0 :               0.00003525375884
                   +1 :              -0.00002529410359
                   +2 :              -0.00004484847572
             13 vec=    15.351039      5.868340     -1.580453   |vec|=   16.510289
                2s
                   +0 :              -0.00004869707584
                2p
                   -1 :              -0.00001552406679
                   +0 :               0.00002789042200
                   +1 :              -0.00000900926366
                3s
                   +0 :               0.00019440275277
                4s
                   +0 :              -0.00003019071460
                3p
                   -1 :               0.00003734051167
                   +0 :              -0.00016784696515
                   +1 :              -0.00001137302939
                4p
                   -1 :              -0.00000365624346
                   +0 :               0.00002220619828
                   +1 :               0.00000335074036
                3d
                   -2 :              -0.00000460153593
                   -1 :              -0.00004977219704
                   +0 :               0.00001412954660
                   +1 :              -0.00003095107944
                   +2 :              -0.00000311548024
             14 vec=   -15.769612      5.868340     -1.580453   |vec|=   16.900175
                2s
                   +0 :              -0.00000743427958
                2p
                   -1 :               0.00000129795619
                   +0 :               0.00001758683811
                   +1 :              -0.00000249469386
                3s
                   +0 :              -0.00024439705311
                4s
                   +0 :               0.00010598679009
                3p
                   -1 :              -0.00007602015757
                   +0 :               0.00002841994798
                   +1 :               0.00018037774723
                4p
                   -1 :               0.00005297221255
                   +0 :               0.00000720054646
                   +1 :              -0.00005989562977
                3d
                   -2 :               0.00001082430892
                   -1 :              -0.00000416545694
                   +0 :              -0.00000224465764
                   +1 :              -0.00003097427927
                   +2 :              -0.00001151956226
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 13)  npairs=  14
              1 vec=    -0.418832      0.000150     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00008200721870
                2s
                   +0 :              -0.00060290537436
                3s
                   +0 :               0.00005235212492
                2p
                   -1 :              -0.00187787800096
                   +0 :               0.00094320672803
                   +1 :              -0.00147510867146
                3p
                   -1 :               0.00175916111599
                   +0 :              -0.00074955064271
                   +1 :              -0.00007072194603
                3d
                   -2 :              -0.00000704674164
                   -1 :              -0.00015063606188
                   +0 :               0.00016152288416
                   +1 :               0.00001721350483
                   +2 :              -0.00003138142552
              2 vec=     7.361331     -4.491729     -8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00007079294971
                2s
                   +0 :               0.00005903561553
                3s
                   +0 :               0.00038677002514
                2p
                   -1 :              -0.00023306580293
                   +0 :              -0.00040586900150
                   +1 :              -0.00052282227392
                3p
                   -1 :              -0.00017697681297
                   +0 :              -0.00024094494807
                   +1 :               0.00049442845157
                3d
                   -2 :              -0.00001467045936
                   -1 :               0.00005507811043
                   +0 :              -0.00000785761090
                   +1 :              -0.00000119871939
                   +2 :              -0.00002670064200
              3 vec=     7.361331      4.492029     -8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00012382085045
                2s
                   +0 :              -0.00076815808131
                3s
                   +0 :               0.00036369978218
                2p
                   -1 :               0.00079373765095
                   +0 :               0.00043642995415
                   +1 :               0.00076105408770
                3p
                   -1 :              -0.00063538860608
                   +0 :              -0.00028458862969
                   +1 :              -0.00085162113732
                3d
                   -2 :              -0.00005724715902
                   -1 :               0.00008800719306
                   +0 :               0.00003034956498
                   +1 :               0.00002261370407
                   +2 :              -0.00004817719731
              4 vec=    -0.418832     -8.983608     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00005724390397
                2s
                   +0 :               0.00037180341273
                3s
                   +0 :              -0.00029707157545
                2p
                   -1 :              -0.00045614597535
                   +0 :              -0.00018732425341
                   +1 :              -0.00046627258495
                3p
                   -1 :               0.00045274139023
                   +0 :               0.00018227019140
                   +1 :               0.00015626863517
                3d
                   -2 :               0.00003239739762
                   -1 :              -0.00006553061048
                   +0 :              -0.00002698539941
                   +1 :              -0.00001241142744
                   +2 :               0.00005294225683
              5 vec=    -0.418832      8.983908     -8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00001724892381
                2s
                   +0 :              -0.00020961289228
                3s
                   +0 :               0.00014108007515
                2p
                   -1 :               0.00034405229385
                   +0 :              -0.00015004008048
                   +1 :               0.00015119125045
                3p
                   -1 :              -0.00030671559714
                   +0 :               0.00008395135272
                   +1 :              -0.00054287279950
                3d
                   -2 :              -0.00007769231938
                   -1 :              -0.00000092965068
                   +0 :              -0.00001278383451
                   +1 :               0.00001225118882
                   +2 :              -0.00004644881088
              6 vec=    -8.198995     -4.491729     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00006818501783
                2s
                   +0 :              -0.00080827955446
                3s
                   +0 :               0.00013514838780
                2p
                   -1 :               0.00052663750356
                   +0 :               0.00036050675537
                   +1 :               0.00056961567654
                3p
                   -1 :              -0.00024812166878
                   +0 :               0.00016724364236
                   +1 :              -0.00027717134315
                3d
                   -2 :               0.00002475435778
                   -1 :              -0.00005541671933
                   +0 :              -0.00003620768577
                   +1 :               0.00000273604111
                   +2 :               0.00001020169211
              7 vec=    -8.198995      4.492029     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00000994861191
                2s
                   +0 :              -0.00016561973250
                3s
                   +0 :               0.00002168831170
                2p
                   -1 :              -0.00085869394013
                   +0 :               0.00076105781943
                   +1 :               0.00049732655847
                3p
                   -1 :               0.00059877729852
                   +0 :              -0.00056363484132
                   +1 :              -0.00031585080452
                3d
                   -2 :              -0.00002598652574
                   -1 :              -0.00004790613123
                   +0 :               0.00001122989166
                   +1 :               0.00002317237674
                   +2 :              -0.00001119963496
              8 vec=    -0.418832      0.000150     16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000306960408
                2s
                   +0 :               0.00003152073292
                3s
                   +0 :              -0.00001983716244
                2p
                   -1 :              -0.00000543576457
                   +0 :               0.00004176659330
                   +1 :               0.00003157234765
                3p
                   -1 :               0.00001342192187
                   +0 :              -0.00003630240943
                   +1 :              -0.00002913314424
                3d
                   -2 :               0.00000241575333
                   -1 :               0.00000484800515
                   +0 :              -0.00000165198167
                   +1 :              -0.00000828273534
                   +2 :              -0.00000163478464
              9 vec=    15.141493      0.000150     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00001576275305
                2s
                   +0 :               0.00016269750364
                3s
                   +0 :              -0.00000403788724
                2p
                   -1 :               0.00008209629561
                   +0 :              -0.00008078347367
                   +1 :               0.00011884796482
                3p
                   -1 :              -0.00004471336063
                   +0 :               0.00003803059691
                   +1 :              -0.00000444164080
                3d
                   -2 :              -0.00000199610424
                   -1 :              -0.00000096905768
                   +0 :               0.00000062106591
                   +1 :              -0.00000122381909
                   +2 :               0.00000598036729
             10 vec=     7.361331    -13.475487     -8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00002194865033
                2s
                   +0 :               0.00016580081541
                3s
                   +0 :              -0.00006469751736
                2p
                   -1 :              -0.00015462615017
                   +0 :              -0.00004460993093
                   +1 :               0.00006076280053
                3p
                   -1 :               0.00008239895189
                   +0 :               0.00001471433883
                   +1 :              -0.00004837720760
                3d
                   -2 :               0.00000154574227
                   -1 :              -0.00000258952498
                   +0 :              -0.00000288455979
                   +1 :               0.00000407210525
                   +2 :               0.00000334462058
             11 vec=     7.361331     13.475787     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000088696168
                2s
                   +0 :               0.00001747717037
                3s
                   +0 :               0.00001002567871
                2p
                   -1 :              -0.00006378258028
                   +0 :              -0.00002383045327
                   +1 :               0.00003832779137
                3p
                   -1 :               0.00009505984973
                   +0 :              -0.00000302182978
                   +1 :              -0.00002335981354
                3d
                   -2 :               0.00000148754684
                   -1 :               0.00000172399217
                   +0 :              -0.00000277566398
                   +1 :              -0.00000228298560
                   +2 :              -0.00000108550932
             12 vec=    -8.198995    -13.475487     -8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00000208855958
                2s
                   +0 :              -0.00003838826788
                3s
                   +0 :              -0.00001826314517
                2p
                   -1 :              -0.00005097563026
                   +0 :               0.00003347064406
                   +1 :               0.00005685666360
                3p
                   -1 :               0.00010301222945
                   +0 :              -0.00000019159320
                   +1 :              -0.00004709368182
                3d
                   -2 :              -0.00000294352006
                   -1 :              -0.00000448551197
                   +0 :              -0.00000582238113
                   +1 :               0.00000074834299
                   +2 :               0.00000534906536
             13 vec=    -8.198995     13.475787     -8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00000630552927
                2s
                   +0 :               0.00003348122641
                3s
                   +0 :              -0.00003955204752
                2p
                   -1 :              -0.00000801287245
                   +0 :               0.00002499683805
                   +1 :               0.00002833599010
                3p
                   -1 :              -0.00001338725581
                   +0 :              -0.00000389574369
                   +1 :              -0.00000852877076
                3d
                   -2 :               0.00000232546732
                   -1 :               0.00000287888785
                   +0 :               0.00000127474545
                   +1 :              -0.00000250168568
                   +2 :               0.00000029891228
             14 vec=   -15.979157      0.000150     -8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00001365116824
                2s
                   +0 :              -0.00010952295177
                3s
                   +0 :               0.00003751691865
                2p
                   -1 :              -0.00005070770354
                   +0 :               0.00005075543549
                   +1 :               0.00013245636473
                3p
                   -1 :               0.00001944253791
                   +0 :              -0.00000694132166
                   +1 :              -0.00003719578806
                3d
                   -2 :               0.00000103328157
                   -1 :              -0.00000048099358
                   +0 :              -0.00000183037551
                   +1 :               0.00000443035582
                   +2 :               0.00000075652939
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 14)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00013208093134
                2s
                   +0 :              -0.00103081780383
                3s
                   +0 :              -0.00000530881891
                2p
                   -1 :              -0.00103071701339
                   +0 :               0.00190750111993
                   +1 :              -0.00118989506447
                3p
                   -1 :              -0.00022025528013
                   +0 :              -0.00036864726213
                   +1 :               0.00149792996527
                3d
                   -2 :               0.00005981702813
                   -1 :               0.00015449244632
                   +0 :               0.00004559578001
                   +1 :              -0.00020040277355
                   +2 :              -0.00009801083450
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00017109100560
                2s
                   +0 :               0.00197348659299
                3s
                   +0 :               0.00003549141825
                2p
                   -1 :              -0.00150115550556
                   +0 :              -0.00313097559127
                   +1 :               0.00018048263657
                3p
                   -1 :              -0.00040437861217
                   +0 :               0.00009546625782
                   +1 :              -0.00010370341932
                3d
                   -2 :               0.00001525090404
                   -1 :               0.00021102686162
                   +0 :               0.00006186407061
                   +1 :              -0.00008102986572
                   +2 :              -0.00007767320239
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00016250842072
                2s
                   +0 :              -0.00098096519893
                3s
                   +0 :               0.00034464974496
                2p
                   -1 :               0.00007001398408
                   +0 :               0.00135994369080
                   +1 :              -0.00309641226190
                3p
                   -1 :              -0.00044475407799
                   +0 :              -0.00070815172157
                   +1 :               0.00216484642022
                3d
                   -2 :              -0.00000310979782
                   -1 :              -0.00001324487891
                   +0 :              -0.00007456683846
                   +1 :              -0.00016522224922
                   +2 :               0.00002440210359
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00000641930003
                2s
                   +0 :              -0.00036775872558
                3s
                   +0 :              -0.00001227890287
                2p
                   -1 :               0.00034542934175
                   +0 :               0.00017623319935
                   +1 :               0.00031017006063
                3p
                   -1 :              -0.00014394125872
                   +0 :              -0.00022322852878
                   +1 :              -0.00024692823870
                3d
                   -2 :              -0.00000959335392
                   -1 :               0.00000509390191
                   +0 :               0.00001956102358
                   +1 :               0.00002453264886
                   +2 :               0.00000272371892
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001628406663
                2s
                   +0 :              -0.00010744954191
                3s
                   +0 :               0.00006404253652
                2p
                   -1 :              -0.00025770625271
                   +0 :              -0.00006403561415
                   +1 :              -0.00004625856342
                3p
                   -1 :               0.00022943492854
                   +0 :               0.00012373082815
                   +1 :               0.00002230061323
                3d
                   -2 :              -0.00003727850800
                   -1 :              -0.00000160145000
                   +0 :              -0.00000680652783
                   +1 :               0.00000612023187
                   +2 :               0.00000320785458
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000261501938
                2s
                   +0 :               0.00039716740328
                3s
                   +0 :               0.00001043969310
                2p
                   -1 :               0.00059274204527
                   +0 :              -0.00010169264526
                   +1 :               0.00046862760154
                3p
                   -1 :              -0.00036234236842
                   +0 :              -0.00019780718343
                   +1 :              -0.00014026663023
                3d
                   -2 :               0.00000581779081
                   -1 :              -0.00000742968366
                   +0 :               0.00004675176898
                   +1 :              -0.00000109661850
                   +2 :              -0.00002561679151
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000485186257
                2s
                   +0 :              -0.00004837836519
                3s
                   +0 :              -0.00003605052615
                2p
                   -1 :               0.00008108029993
                   +0 :               0.00003040651678
                   +1 :               0.00008931732161
                3p
                   -1 :              -0.00004147849302
                   +0 :               0.00002535711386
                   +1 :              -0.00003233664318
                3d
                   -2 :               0.00000989716818
                   -1 :               0.00000501428454
                   +0 :              -0.00000864223040
                   +1 :              -0.00000851674166
                   +2 :              -0.00000324694248
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000929557999
                2s
                   +0 :              -0.00012011603663
                3s
                   +0 :               0.00001341994573
                2p
                   -1 :              -0.00007753885753
                   +0 :               0.00005977221979
                   +1 :              -0.00002681049181
                3p
                   -1 :               0.00004163037873
                   +0 :              -0.00002891322355
                   +1 :               0.00007975711799
                3d
                   -2 :              -0.00000570265221
                   -1 :               0.00000385717269
                   +0 :              -0.00000212601482
                   +1 :              -0.00000011505010
                   +2 :              -0.00000442023604
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00001285760532
                2s
                   +0 :               0.00005354787049
                3s
                   +0 :              -0.00003076946135
                2p
                   -1 :               0.00002333156544
                   +0 :              -0.00002587479038
                   +1 :              -0.00004442292497
                3p
                   -1 :              -0.00001550743665
                   +0 :               0.00004322522644
                   +1 :              -0.00000609356498
                3d
                   -2 :              -0.00000029989497
                   -1 :               0.00000030780456
                   +0 :              -0.00000636401799
                   +1 :               0.00000478388895
                   +2 :               0.00000440117409
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00001954626740
                2s
                   +0 :               0.00011974103026
                3s
                   +0 :               0.00000105777155
                2p
                   -1 :              -0.00008070055645
                   +0 :               0.00002864426353
                   +1 :               0.00029391349216
                3p
                   -1 :               0.00002466897652
                   +0 :              -0.00005019653656
                   +1 :              -0.00020322956508
                3d
                   -2 :               0.00000797024587
                   -1 :               0.00000468360983
                   +0 :               0.00001201946036
                   +1 :              -0.00000223366096
                   +2 :               0.00000130613235
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001956370274
                2s
                   +0 :              -0.00009223255894
                3s
                   +0 :               0.00005189182026
                2p
                   -1 :              -0.00008360472257
                   +0 :              -0.00007984209348
                   +1 :              -0.00023066749147
                3p
                   -1 :               0.00008184644978
                   +0 :               0.00000994532701
                   +1 :               0.00018042510584
                3d
                   -2 :               0.00000729677529
                   -1 :               0.00000265302969
                   +0 :               0.00000278236745
                   +1 :               0.00000703517324
                   +2 :               0.00000652229103
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00002691765961
                2s
                   +0 :              -0.00015121559961
                3s
                   +0 :               0.00010661451822
                2p
                   -1 :              -0.00007076336399
                   +0 :              -0.00021589785750
                   +1 :               0.00002460118590
                3p
                   -1 :               0.00008895710825
                   +0 :               0.00014812330095
                   +1 :               0.00002999268761
                3d
                   -2 :               0.00001167037519
                   -1 :              -0.00000790750581
                   +0 :              -0.00001862378811
                   +1 :               0.00000276031423
                   +2 :              -0.00001043869860
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000174022087
                2s
                   +0 :              -0.00000998301426
                3s
                   +0 :              -0.00000538707185
                2p
                   -1 :               0.00003415688721
                   +0 :              -0.00004315903432
                   +1 :               0.00007298066157
                3p
                   -1 :              -0.00001201134690
                   +0 :              -0.00000203718183
                   +1 :              -0.00005435239729
                3d
                   -2 :              -0.00000429524633
                   -1 :               0.00000086746034
                   +0 :               0.00000226760473
                   +1 :              -0.00000033696838
                   +2 :              -0.00000088649477
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001266519070
                2s
                   +0 :              -0.00009751398619
                3s
                   +0 :               0.00002111637998
                2p
                   -1 :               0.00001224013340
                   +0 :              -0.00005864166759
                   +1 :               0.00001954011149
                3p
                   -1 :               0.00002642184404
                   +0 :              -0.00000522978645
                   +1 :              -0.00001987750508
                3d
                   -2 :               0.00000115509142
                   -1 :               0.00000446012202
                   +0 :              -0.00000296601900
                   +1 :               0.00000187363136
                   +2 :              -0.00000024888722
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000086327322
                2s
                   +0 :               0.00002649819852
                3s
                   +0 :               0.00001507914132
                2p
                   -1 :               0.00000050852061
                   +0 :              -0.00001638840874
                   +1 :              -0.00004494919449
                3p
                   -1 :               0.00001082592259
                   +0 :               0.00003975083745
                   +1 :               0.00000745301342
                3d
                   -2 :               0.00000116156262
                   -1 :               0.00000310861082
                   +0 :               0.00000664955793
                   +1 :              -0.00000521727254
                   +2 :              -0.00000081525808
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 15)  npairs=  15
              1 vec=    -2.802674      4.129085     -8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00030673638736
                2s
                   +0 :               0.00186732272300
                3s
                   +0 :              -0.00079976410750
                2p
                   -1 :               0.00055729069859
                   +0 :              -0.00145056446716
                   +1 :               0.00056760872464
                3p
                   -1 :              -0.00004680694190
                   +0 :               0.00076178092629
                   +1 :              -0.00056550714134
                3d
                   -2 :              -0.00010275501694
                   -1 :               0.00003224041240
                   +0 :               0.00006739241023
                   +1 :              -0.00000075592699
                   +2 :               0.00013998704868
              2 vec=     4.977489     -0.362794     -8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00018317245697
                2s
                   +0 :               0.00152076971130
                3s
                   +0 :              -0.00012143284532
                2p
                   -1 :              -0.00070639029902
                   +0 :              -0.00184267864152
                   +1 :              -0.00037815901918
                3p
                   -1 :               0.00152122064671
                   +0 :               0.00042179885892
                   +1 :               0.00094275282040
                3d
                   -2 :               0.00004497578593
                   -1 :              -0.00016483806609
                   +0 :               0.00000850876711
                   +1 :              -0.00012123212455
                   +2 :               0.00005040332201
              3 vec=    -2.802674     -4.854673     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00027938106189
                2s
                   +0 :              -0.00243404513254
                3s
                   +0 :               0.00047170953489
                2p
                   -1 :               0.00319301900203
                   +0 :               0.00259359452328
                   +1 :               0.00056897018960
                3p
                   -1 :              -0.00114143950222
                   +0 :              -0.00024491491555
                   +1 :              -0.00068200075450
                3d
                   -2 :               0.00006580974233
                   -1 :               0.00001482690315
                   +0 :              -0.00011757574468
                   +1 :               0.00010818300079
                   +2 :               0.00002043906089
              4 vec=     4.977489      8.620964     -8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00007127470752
                2s
                   +0 :               0.00060847577859
                3s
                   +0 :              -0.00024288485175
                2p
                   -1 :              -0.00028708994742
                   +0 :              -0.00024062021660
                   +1 :               0.00052946270998
                3p
                   -1 :               0.00021221406029
                   +0 :              -0.00001108393208
                   +1 :              -0.00037974891130
                3d
                   -2 :              -0.00005046436741
                   -1 :               0.00000293633590
                   +0 :               0.00002661759230
                   +1 :               0.00003352166377
                   +2 :              -0.00000442709473
              5 vec=   -10.582837     -0.362794     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00006716814595
                2s
                   +0 :              -0.00090201586474
                3s
                   +0 :               0.00021064546815
                2p
                   -1 :              -0.00004894207674
                   +0 :               0.00047390534010
                   +1 :               0.00025582835336
                3p
                   -1 :              -0.00002557975974
                   +0 :              -0.00016766953642
                   +1 :               0.00002542966580
                3d
                   -2 :               0.00003993895280
                   -1 :               0.00000901507977
                   +0 :               0.00000786733785
                   +1 :               0.00002019850634
                   +2 :              -0.00000297548076
              6 vec=     4.977489     -9.346552     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00004222477997
                2s
                   +0 :              -0.00003080399850
                3s
                   +0 :               0.00009946662517
                2p
                   -1 :               0.00009227750797
                   +0 :               0.00026724086304
                   +1 :               0.00020469173403
                3p
                   -1 :              -0.00028833053028
                   +0 :              -0.00018181273731
                   +1 :              -0.00018009796043
                3d
                   -2 :               0.00000560654297
                   -1 :               0.00000219737593
                   +0 :               0.00002220918218
                   +1 :               0.00004334023971
                   +2 :              -0.00002466669834
              7 vec=    -2.802674     13.112843     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00002249448782
                2s
                   +0 :               0.00015169376786
                3s
                   +0 :              -0.00008651711012
                2p
                   -1 :               0.00003001591229
                   +0 :               0.00005713939033
                   +1 :               0.00002417014855
                3p
                   -1 :              -0.00000200170975
                   +0 :               0.00002247239395
                   +1 :              -0.00007762300637
                3d
                   -2 :              -0.00000742669371
                   -1 :               0.00001049083616
                   +0 :              -0.00000686020865
                   +1 :               0.00001406411754
                   +2 :              -0.00000275684810
              8 vec=    12.757651      4.129085     -8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00001851218644
                2s
                   +0 :               0.00016580491205
                3s
                   +0 :              -0.00001750970791
                2p
                   -1 :               0.00013394051803
                   +0 :              -0.00005999866678
                   +1 :              -0.00004279127471
                3p
                   -1 :              -0.00004449794310
                   +0 :              -0.00005553177203
                   +1 :               0.00010775897059
                3d
                   -2 :              -0.00001558129636
                   -1 :               0.00001645832515
                   +0 :              -0.00000058917462
                   +1 :              -0.00001490605875
                   +2 :               0.00000580286574
              9 vec=   -10.582837      8.620964     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00003513957178
                2s
                   +0 :               0.00017995043913
                3s
                   +0 :              -0.00012755945017
                2p
                   -1 :               0.00001292288470
                   +0 :              -0.00010457950633
                   +1 :              -0.00008964623420
                3p
                   -1 :              -0.00004406782040
                   +0 :               0.00006633049318
                   +1 :               0.00009329723021
                3d
                   -2 :               0.00000276428381
                   -1 :               0.00000034832895
                   +0 :              -0.00000492767812
                   +1 :              -0.00000707254166
                   +2 :               0.00000433331267
             10 vec=    12.757651     -4.854673     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00000868997069
                2s
                   +0 :               0.00007840946258
                3s
                   +0 :               0.00000299753236
                2p
                   -1 :              -0.00026987012315
                   +0 :              -0.00007096444418
                   +1 :               0.00006268593249
                3p
                   -1 :               0.00016173781358
                   +0 :              -0.00005338057273
                   +1 :              -0.00001442933820
                3d
                   -2 :               0.00001636836304
                   -1 :              -0.00000879001314
                   +0 :               0.00000468305979
                   +1 :              -0.00001496602362
                   +2 :              -0.00000348970349
             11 vec=   -10.582837     -9.346552     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00000610732149
                2s
                   +0 :              -0.00007414598581
                3s
                   +0 :              -0.00000220146464
                2p
                   -1 :               0.00013147890097
                   +0 :               0.00013822843906
                   +1 :               0.00005075185359
                3p
                   -1 :              -0.00004377235551
                   +0 :              -0.00006086842947
                   +1 :               0.00002026792670
                3d
                   -2 :               0.00000018534192
                   -1 :               0.00000422661006
                   +0 :               0.00000841410336
                   +1 :               0.00000245588479
                   +2 :              -0.00000154072413
             12 vec=    -2.802674    -13.838431     -8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00002518904977
                2s
                   +0 :              -0.00014716153057
                3s
                   +0 :               0.00006932927153
                2p
                   -1 :               0.00007517065267
                   +0 :               0.00002130458309
                   +1 :               0.00000898599780
                3p
                   -1 :              -0.00002697839303
                   +0 :               0.00001631992914
                   +1 :              -0.00003407160753
                3d
                   -2 :               0.00000441856037
                   -1 :               0.00000450309671
                   +0 :               0.00000004609307
                   +1 :               0.00000151489382
                   +2 :              -0.00000361925696
             13 vec=    -2.802674      4.129085     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00000174100050
                2s
                   +0 :               0.00000376540771
                3s
                   +0 :              -0.00000198963817
                2p
                   -1 :               0.00002466202602
                   +0 :               0.00002775244679
                   +1 :              -0.00001236040136
                3p
                   -1 :              -0.00002645077781
                   +0 :              -0.00003181716243
                   +1 :              -0.00002141357365
                3d
                   -2 :              -0.00000068697539
                   -1 :              -0.00000326723627
                   +0 :              -0.00000483526979
                   +1 :              -0.00000336479719
                   +2 :              -0.00000226216622
             14 vec=     4.977489     -0.362794     16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00001049564992
                2s
                   +0 :              -0.00009773237766
                3s
                   +0 :               0.00002810820754
                2p
                   -1 :              -0.00003011128494
                   +0 :              -0.00010590059977
                   +1 :              -0.00007221075300
                3p
                   -1 :               0.00001204539044
                   +0 :               0.00003996788790
                   +1 :               0.00005557649670
                3d
                   -2 :              -0.00000124441806
                   -1 :               0.00000419111569
                   +0 :              -0.00000549717307
                   +1 :               0.00000305712454
                   +2 :              -0.00000146182131
             15 vec=    -2.802674     -4.854673     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000029442819
                2s
                   +0 :               0.00004628052857
                3s
                   +0 :               0.00000264118965
                2p
                   -1 :               0.00009466912528
                   +0 :              -0.00003350018051
                   +1 :              -0.00012693668193
                3p
                   -1 :              -0.00003595032634
                   +0 :               0.00007741476967
                   +1 :               0.00006874608395
                3d
                   -2 :              -0.00000181025316
                   -1 :               0.00000284690789
                   +0 :               0.00000420977630
                   +1 :              -0.00000008694884
                   +2 :              -0.00000233392178
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 16)  npairs=  14
              1 vec=     2.593647     -1.739106      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00036780231816
                2s
                   +0 :               0.03017861073042
                3s
                   +0 :               0.00063591207007
                2p
                   -1 :              -0.00287992862248
                   +0 :               0.01946492607126
                   +1 :               0.00499715241282
                3p
                   -1 :              -0.00684779941326
                   +0 :              -0.00007481601109
                   +1 :               0.00288675698318
                3d
                   -2 :              -0.00071567278024
                   -1 :              -0.00107769255024
                   +0 :               0.00077761079093
                   +1 :               0.00166480085270
                   +2 :              -0.00020493983002
              2 vec=    -5.186516      2.752773      4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00122748184799
                2s
                   +0 :              -0.01091074209177
                3s
                   +0 :               0.00527322235269
                2p
                   -1 :              -0.00618497544523
                   +0 :              -0.01168005760588
                   +1 :               0.01408307894540
                3p
                   -1 :               0.00369249023535
                   +0 :               0.00776297377654
                   +1 :              -0.01141248438048
                3d
                   -2 :              -0.00060111641700
                   -1 :               0.00051160321940
                   +0 :               0.00040249233714
                   +1 :              -0.00104723067953
                   +2 :               0.00048464723752
              3 vec=     2.593647      7.244652      4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00028418192820
                2s
                   +0 :               0.00170675593802
                3s
                   +0 :              -0.00077297010519
                2p
                   -1 :               0.00062391549114
                   +0 :               0.00200394846261
                   +1 :              -0.00236888473205
                3p
                   -1 :              -0.00021411585697
                   +0 :               0.00005364536547
                   +1 :               0.00142266902020
                3d
                   -2 :               0.00010652620193
                   -1 :               0.00011791880923
                   +0 :               0.00017406874782
                   +1 :              -0.00010176102616
                   +2 :              -0.00003859164334
              4 vec=    -5.186516     -6.230985      4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00005720869887
                2s
                   +0 :               0.00050047880855
                3s
                   +0 :              -0.00048065114502
                2p
                   -1 :              -0.00052185771104
                   +0 :              -0.00072205999536
                   +1 :               0.00182162851118
                3p
                   -1 :               0.00090704889727
                   +0 :              -0.00010401315474
                   +1 :              -0.00131458796635
                3d
                   -2 :               0.00002830896094
                   -1 :              -0.00005486472332
                   +0 :              -0.00005445457246
                   +1 :              -0.00003982868025
                   +2 :              -0.00000119959228
              5 vec=    10.373810      2.752773      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00016839914019
                2s
                   +0 :              -0.00063144016685
                3s
                   +0 :               0.00075765361848
                2p
                   -1 :               0.00062065959156
                   +0 :               0.00025108592411
                   +1 :              -0.00111743105950
                3p
                   -1 :              -0.00027823770540
                   +0 :               0.00025588677609
                   +1 :               0.00155323547984
                3d
                   -2 :               0.00000590306677
                   -1 :               0.00004890467048
                   +0 :              -0.00003371870851
                   +1 :              -0.00000257900421
                   +2 :               0.00009721449273
              6 vec=     2.593647    -10.722864      4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00002794056026
                2s
                   +0 :               0.00029768333724
                3s
                   +0 :              -0.00012527988245
                2p
                   -1 :              -0.00046632060896
                   +0 :               0.00007287791064
                   +1 :               0.00013864381711
                3p
                   -1 :               0.00033675472605
                   +0 :              -0.00004216841623
                   +1 :              -0.00027845744351
                3d
                   -2 :               0.00002213761918
                   -1 :               0.00000963440385
                   +0 :               0.00000363355822
                   +1 :              -0.00001232361034
                   +2 :               0.00001605397983
              7 vec=    10.373810     -6.230985      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00002639670977
                2s
                   +0 :               0.00020915546790
                3s
                   +0 :               0.00015446522508
                2p
                   -1 :               0.00058252223274
                   +0 :               0.00000370215123
                   +1 :              -0.00039010369628
                3p
                   -1 :              -0.00048924535513
                   +0 :               0.00013273066387
                   +1 :               0.00049470312972
                3d
                   -2 :              -0.00000823827583
                   -1 :               0.00000703315818
                   +0 :              -0.00000678906861
                   +1 :               0.00002529557432
                   +2 :               0.00002010764014
              8 vec=    -5.186516     11.736531      4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00006229534093
                2s
                   +0 :              -0.00047283632421
                3s
                   +0 :               0.00009148439841
                2p
                   -1 :               0.00012876104707
                   +0 :               0.00011634297343
                   +1 :               0.00048815873666
                3p
                   -1 :              -0.00014112840142
                   +0 :              -0.00026760619274
                   +1 :              -0.00052435979077
                3d
                   -2 :              -0.00004559198299
                   -1 :              -0.00004739246594
                   +0 :              -0.00001885322821
                   +1 :               0.00000875337860
                   +2 :               0.00005004201647
              9 vec=   -12.966678     -1.739106      4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00010100475047
                2s
                   +0 :               0.00016014563566
                3s
                   +0 :              -0.00035440082090
                2p
                   -1 :              -0.00011027534793
                   +0 :               0.00009150747344
                   +1 :               0.00081607921422
                3p
                   -1 :               0.00012918313976
                   +0 :              -0.00012691220221
                   +1 :              -0.00061485551224
                3d
                   -2 :              -0.00000798079855
                   -1 :              -0.00001505916370
                   +0 :              -0.00002307559038
                   +1 :              -0.00003187372253
                   +2 :               0.00001757760005
             10 vec=   -12.966678      7.244652      4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00002741655797
                2s
                   +0 :               0.00014373297674
                3s
                   +0 :              -0.00017502286641
                2p
                   -1 :               0.00016492800155
                   +0 :              -0.00007809939996
                   +1 :              -0.00009692580633
                3p
                   -1 :              -0.00019102403057
                   +0 :               0.00001733083540
                   +1 :               0.00013693858944
                3d
                   -2 :               0.00001594061571
                   -1 :              -0.00001024087797
                   +0 :              -0.00001314799607
                   +1 :              -0.00000520603499
                   +2 :               0.00000620394803
             11 vec=    10.373810     11.736531      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00001808363912
                2s
                   +0 :              -0.00006214424795
                3s
                   +0 :               0.00009614099611
                2p
                   -1 :              -0.00008558888257
                   +0 :               0.00013175764906
                   +1 :              -0.00024462764446
                3p
                   -1 :               0.00016643077720
                   +0 :              -0.00004376351142
                   +1 :               0.00026741830219
                3d
                   -2 :               0.00002620408359
                   -1 :              -0.00000070533537
                   +0 :              -0.00001601320938
                   +1 :               0.00000568781017
                   +2 :              -0.00000202878961
             12 vec=    -5.186516    -15.214743      4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00000043234894
                2s
                   +0 :              -0.00001711333468
                3s
                   +0 :               0.00000171425715
                2p
                   -1 :               0.00005673454653
                   +0 :               0.00005966176144
                   +1 :              -0.00003671961366
                3p
                   -1 :              -0.00002014873875
                   +0 :              -0.00004945036302
                   +1 :               0.00001441773094
                3d
                   -2 :              -0.00000696437844
                   -1 :              -0.00000030157074
                   +0 :              -0.00000281175248
                   +1 :               0.00000030707571
                   +2 :               0.00000035132774
             13 vec=     2.593647     16.228410      4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00001205198312
                2s
                   +0 :               0.00007599511700
                3s
                   +0 :              -0.00004229538546
                2p
                   -1 :               0.00010057085371
                   +0 :              -0.00005335657999
                   +1 :               0.00002840112213
                3p
                   -1 :              -0.00008068365643
                   +0 :               0.00002801460189
                   +1 :              -0.00003115512544
                3d
                   -2 :              -0.00000787775639
                   -1 :              -0.00000045804533
                   +0 :              -0.00000070990942
                   +1 :              -0.00000366094739
                   +2 :               0.00000265205181
             14 vec=   -12.966678    -10.722864      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00001899866824
                2s
                   +0 :              -0.00015073607709
                3s
                   +0 :               0.00005432282621
                2p
                   -1 :              -0.00001680677816
                   +0 :              -0.00006101785701
                   +1 :               0.00015224988988
                3p
                   -1 :               0.00002791807805
                   +0 :               0.00002104474330
                   +1 :              -0.00009370390116
                3d
                   -2 :              -0.00000551736498
                   -1 :               0.00000187932929
                   +0 :              -0.00000167716817
                   +1 :              -0.00000265063845
                   +2 :              -0.00000033431998
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 17)  npairs=  14
              1 vec=    -0.418832      2.752773      4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00072912296384
                2s
                   +0 :              -0.01082767890015
                3s
                   +0 :               0.00203574102214
                2p
                   -1 :              -0.00416883794396
                   +0 :              -0.00466120282836
                   +1 :              -0.00724965085058
                3p
                   -1 :               0.00371005709063
                   +0 :              -0.00169847990769
                   +1 :              -0.00402130727873
                3d
                   -2 :              -0.00125917060523
                   -1 :              -0.00035596902085
                   +0 :              -0.00107029661779
                   +1 :              -0.00167252534523
                   +2 :               0.00016038236017
              2 vec=    -0.418832     -6.230985      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00023264740508
                2s
                   +0 :               0.00148094898101
                3s
                   +0 :              -0.00086830083754
                2p
                   -1 :              -0.00010514472844
                   +0 :               0.00080575491257
                   +1 :              -0.00116698969802
                3p
                   -1 :               0.00006241246141
                   +0 :              -0.00066988066564
                   +1 :               0.00055685792837
                3d
                   -2 :              -0.00006381511530
                   -1 :              -0.00003247098782
                   +0 :               0.00003073960998
                   +1 :              -0.00002822809868
                   +2 :               0.00002192361181
              3 vec=     7.361331     -1.739106      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00045606880102
                2s
                   +0 :               0.00202154679190
                3s
                   +0 :              -0.00075638202714
                2p
                   -1 :              -0.00108272332133
                   +0 :              -0.00011387511916
                   +1 :               0.00220151574534
                3p
                   -1 :               0.00047315255684
                   +0 :               0.00154419416085
                   +1 :              -0.00120661751025
                3d
                   -2 :               0.00010589706928
                   -1 :              -0.00007227777054
                   +0 :               0.00029224370111
                   +1 :              -0.00011147586064
                   +2 :              -0.00012133990626
              4 vec=    -8.198995     -1.739106      4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00072536615496
                2s
                   +0 :              -0.00436251730327
                3s
                   +0 :               0.00159050109890
                2p
                   -1 :               0.00118902623541
                   +0 :              -0.00197178425200
                   +1 :               0.00129222241702
                3p
                   -1 :              -0.00067356938190
                   +0 :               0.00017449972444
                   +1 :              -0.00033170253737
                3d
                   -2 :               0.00012535893252
                   -1 :               0.00012053345562
                   +0 :              -0.00017674982433
                   +1 :              -0.00010316747584
                   +2 :               0.00011339091028
              5 vec=     7.361331      7.244652      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00003309615899
                2s
                   +0 :               0.00034662153059
                3s
                   +0 :              -0.00001532857533
                2p
                   -1 :               0.00181005117230
                   +0 :               0.00063422362225
                   +1 :               0.00080113249368
                3p
                   -1 :              -0.00136818775674
                   +0 :              -0.00026398276366
                   +1 :              -0.00061254436200
                3d
                   -2 :              -0.00014487399296
                   -1 :               0.00003549763377
                   +0 :               0.00020314580689
                   +1 :               0.00000797537776
                   +2 :               0.00001175001177
              6 vec=    -8.198995      7.244652      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00001978722960
                2s
                   +0 :              -0.00007363140381
                3s
                   +0 :              -0.00009348764241
                2p
                   -1 :              -0.00030325062150
                   +0 :               0.00016234013758
                   +1 :              -0.00021026441910
                3p
                   -1 :               0.00015460953627
                   +0 :              -0.00015844171039
                   +1 :               0.00036254772632
                3d
                   -2 :               0.00013550671874
                   -1 :              -0.00008182209950
                   +0 :               0.00007435480328
                   +1 :              -0.00002781129484
                   +2 :               0.00001018631333
              7 vec=    -0.418832     11.736531      4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00002288076218
                2s
                   +0 :              -0.00007816376006
                3s
                   +0 :               0.00014759138711
                2p
                   -1 :              -0.00049002119234
                   +0 :               0.00025730286050
                   +1 :              -0.00035057981591
                3p
                   -1 :               0.00047022877105
                   +0 :               0.00002316957476
                   +1 :               0.00039101885244
                3d
                   -2 :               0.00004411984348
                   -1 :               0.00002463019292
                   +0 :              -0.00001683660845
                   +1 :              -0.00000364150901
                   +2 :              -0.00000592210878
              8 vec=     7.361331    -10.722864      4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00002542665798
                2s
                   +0 :               0.00042905887500
                3s
                   +0 :               0.00003527873283
                2p
                   -1 :              -0.00028208915367
                   +0 :               0.00000166412702
                   +1 :               0.00004427179828
                3p
                   -1 :              -0.00002215318486
                   +0 :               0.00021444341099
                   +1 :               0.00008718861828
                3d
                   -2 :              -0.00002619013475
                   -1 :              -0.00002171951277
                   +0 :              -0.00001198311293
                   +1 :               0.00000127778911
                   +2 :              -0.00002413513723
              9 vec=    -8.198995    -10.722864      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00006797775288
                2s
                   +0 :              -0.00060687479622
                3s
                   +0 :               0.00014547099988
                2p
                   -1 :               0.00005176568034
                   +0 :              -0.00006890113751
                   +1 :               0.00011980615427
                3p
                   -1 :               0.00008854187146
                   +0 :              -0.00004311677841
                   +1 :               0.00001340015725
                3d
                   -2 :              -0.00000211331907
                   -1 :               0.00000593703111
                   +0 :              -0.00000343365189
                   +1 :              -0.00000234952683
                   +2 :               0.00001064833232
             10 vec=    -0.418832    -15.214743      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000716314581
                2s
                   +0 :              -0.00005007234887
                3s
                   +0 :               0.00002595661357
                2p
                   -1 :              -0.00002442802967
                   +0 :              -0.00008785964923
                   +1 :              -0.00004721457931
                3p
                   -1 :               0.00001009915327
                   +0 :               0.00006965390871
                   +1 :               0.00000483101180
                3d
                   -2 :               0.00000335648531
                   -1 :               0.00000115021844
                   +0 :               0.00000211122839
                   +1 :               0.00000354883646
                   +2 :               0.00000673673112
             11 vec=    15.141493      2.752773      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00009179098550
                2s
                   +0 :               0.00063074863360
                3s
                   +0 :              -0.00027831060146
                2p
                   -1 :               0.00021024855146
                   +0 :               0.00010855829262
                   +1 :               0.00046142138041
                3p
                   -1 :              -0.00017193994479
                   +0 :              -0.00006437478673
                   +1 :              -0.00023422962256
                3d
                   -2 :              -0.00001530898357
                   -1 :              -0.00000736715463
                   +0 :              -0.00001818658158
                   +1 :              -0.00000226502268
                   +2 :               0.00000004445582
             12 vec=   -15.979157      2.752773      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00001814392199
                2s
                   +0 :              -0.00014309530733
                3s
                   +0 :               0.00005243932841
                2p
                   -1 :               0.00012623921227
                   +0 :              -0.00007472978203
                   +1 :               0.00044375791830
                3p
                   -1 :              -0.00013744008353
                   +0 :               0.00004551304266
                   +1 :              -0.00036319396094
                3d
                   -2 :               0.00000197147539
                   -1 :              -0.00000954493860
                   +0 :              -0.00000917771549
                   +1 :              -0.00001082242287
                   +2 :               0.00002332053597
             13 vec=    15.141493     -6.230985      4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00003149812465
                2s
                   +0 :               0.00021922135425
                3s
                   +0 :              -0.00008803466542
                2p
                   -1 :               0.00007278048472
                   +0 :               0.00005280115706
                   +1 :               0.00016800294110
                3p
                   -1 :              -0.00007870945398
                   +0 :              -0.00001590477102
                   +1 :              -0.00007197708871
                3d
                   -2 :              -0.00000586440529
                   -1 :               0.00000209544456
                   +0 :              -0.00000130357113
                   +1 :              -0.00000294133743
                   +2 :              -0.00001133824036
             14 vec=   -15.979157     -6.230985      4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000729170487
                2s
                   +0 :              -0.00004425492296
                3s
                   +0 :               0.00000391227199
                2p
                   -1 :              -0.00001850047523
                   +0 :               0.00000975095822
                   +1 :              -0.00002276750957
                3p
                   -1 :               0.00004830703217
                   +0 :              -0.00002263333491
                   +1 :               0.00004596733439
                3d
                   -2 :              -0.00000690628282
                   -1 :               0.00000343298986
                   +0 :               0.00000411846069
                   +1 :              -0.00000094258986
                   +2 :               0.00000635808326
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 18)  npairs=  14
              1 vec=    -2.802674     -1.376162      4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00062619618519
                2s
                   +0 :              -0.03380715806527
                3s
                   +0 :              -0.00021667255472
                2p
                   -1 :               0.00918518135144
                   +0 :              -0.02134009860033
                   +1 :               0.00550371767372
                3p
                   -1 :               0.00005001777709
                   +0 :              -0.00184465772647
                   +1 :               0.00156919534466
                3d
                   -2 :              -0.00051712324328
                   -1 :               0.00131742172033
                   +0 :              -0.00179816809611
                   +1 :               0.00154282138144
                   +2 :              -0.00007139372777
              2 vec=     4.977489      3.115717      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00174388974397
                2s
                   +0 :               0.01121151713527
                3s
                   +0 :              -0.00578703727932
                2p
                   -1 :               0.00197636254377
                   +0 :               0.00074937189900
                   +1 :               0.01075294235777
                3p
                   -1 :              -0.00046711373429
                   +0 :               0.00018473747431
                   +1 :              -0.00869403596586
                3d
                   -2 :              -0.00039016853889
                   -1 :              -0.00015250452776
                   +0 :               0.00025411642144
                   +1 :              -0.00016926475201
                   +2 :              -0.00040249138973
              3 vec=     4.977489     -5.868041      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00010967465242
                2s
                   +0 :               0.00022275865326
                3s
                   +0 :               0.00000832399739
                2p
                   -1 :              -0.00268733999570
                   +0 :              -0.00225556075950
                   +1 :               0.00175156194044
                3p
                   -1 :               0.00119871969070
                   +0 :               0.00103347954760
                   +1 :              -0.00095280013030
                3d
                   -2 :               0.00005556126124
                   -1 :              -0.00007029467081
                   +0 :              -0.00008062933930
                   +1 :              -0.00016396506421
                   +2 :              -0.00003309141049
              4 vec=    -2.802674      7.607596      4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00011990574957
                2s
                   +0 :              -0.00045489377860
                3s
                   +0 :               0.00018537341524
                2p
                   -1 :               0.00226266149710
                   +0 :              -0.00255121241493
                   +1 :              -0.00280139794312
                3p
                   -1 :              -0.00212803966890
                   +0 :               0.00116243223002
                   +1 :               0.00191858974452
                3d
                   -2 :               0.00005601363774
                   -1 :               0.00000630733745
                   +0 :              -0.00000035482356
                   +1 :               0.00010931627136
                   +2 :               0.00001620073634
              5 vec=    -2.802674    -10.359920      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00012532521312
                2s
                   +0 :              -0.00090028411352
                3s
                   +0 :               0.00043295380811
                2p
                   -1 :               0.00074642884449
                   +0 :              -0.00006030194685
                   +1 :              -0.00020998603488
                3p
                   -1 :              -0.00051363772971
                   +0 :              -0.00003313598964
                   +1 :               0.00007662140295
                3d
                   -2 :              -0.00000592090336
                   -1 :              -0.00000895369219
                   +0 :               0.00004731629064
                   +1 :               0.00000195671090
                   +2 :              -0.00002425928202
              6 vec=   -10.582837      3.115717      4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00002701747312
                2s
                   +0 :              -0.00031743596062
                3s
                   +0 :              -0.00000861339207
                2p
                   -1 :              -0.00061438412251
                   +0 :              -0.00063274324968
                   +1 :              -0.00067739484846
                3p
                   -1 :               0.00045220151589
                   +0 :               0.00038715527877
                   +1 :               0.00073209152834
                3d
                   -2 :               0.00001825338757
                   -1 :              -0.00002456278467
                   +0 :              -0.00003658943341
                   +1 :              -0.00005455220729
                   +2 :              -0.00011591466256
              7 vec=   -10.582837     -5.868041      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00003869699900
                2s
                   +0 :              -0.00068226603514
                3s
                   +0 :               0.00013852698671
                2p
                   -1 :               0.00018241033790
                   +0 :               0.00036257095574
                   +1 :              -0.00001228582258
                3p
                   -1 :              -0.00011715793444
                   +0 :              -0.00031171559113
                   +1 :               0.00005646970367
                3d
                   -2 :               0.00003675249757
                   -1 :               0.00000828994967
                   +0 :              -0.00002497531203
                   +1 :               0.00000268666600
                   +2 :              -0.00002044931390
              8 vec=    12.757651     -1.376162      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00005326708141
                2s
                   +0 :               0.00091362982099
                3s
                   +0 :              -0.00003426885217
                2p
                   -1 :              -0.00069577221840
                   +0 :               0.00067801163520
                   +1 :               0.00029788428388
                3p
                   -1 :               0.00049493152949
                   +0 :              -0.00011905715115
                   +1 :              -0.00014754407578
                3d
                   -2 :               0.00000320972096
                   -1 :              -0.00000598283445
                   +0 :               0.00003367261933
                   +1 :               0.00000379085844
                   +2 :               0.00002176332125
              9 vec=     4.977489     12.099475      4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00007264543952
                2s
                   +0 :               0.00058192228986
                3s
                   +0 :              -0.00015879429536
                2p
                   -1 :               0.00012663440285
                   +0 :               0.00035100695925
                   +1 :               0.00019813020461
                3p
                   -1 :              -0.00006338685518
                   +0 :              -0.00010087332043
                   +1 :              -0.00025614405819
                3d
                   -2 :              -0.00002833403255
                   -1 :               0.00000838102862
                   +0 :               0.00001264130883
                   +1 :              -0.00002736789953
                   +2 :               0.00001733795353
             10 vec=    12.757651      7.607596      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00002939467482
                2s
                   +0 :               0.00022070448534
                3s
                   +0 :              -0.00005730048993
                2p
                   -1 :               0.00011391601362
                   +0 :               0.00005388627956
                   +1 :               0.00004044215213
                3p
                   -1 :              -0.00002578484628
                   +0 :              -0.00000868226048
                   +1 :               0.00002929699263
                3d
                   -2 :               0.00000598134459
                   -1 :              -0.00000592028561
                   +0 :              -0.00000146465718
                   +1 :               0.00000280761093
                   +2 :               0.00001424566339
             11 vec=     4.977489    -14.851799      4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00001437147346
                2s
                   +0 :              -0.00006464526895
                3s
                   +0 :               0.00005953044278
                2p
                   -1 :               0.00000607561786
                   +0 :              -0.00000954746864
                   +1 :              -0.00003175167271
                3p
                   -1 :              -0.00004350946364
                   +0 :               0.00003158816140
                   +1 :               0.00000367734629
                3d
                   -2 :               0.00000208670081
                   -1 :              -0.00000471996870
                   +0 :              -0.00000037505334
                   +1 :              -0.00000300751465
                   +2 :               0.00000010289733
             12 vec=   -10.582837     12.099475      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00002739978995
                2s
                   +0 :              -0.00018642671607
                3s
                   +0 :               0.00005525442851
                2p
                   -1 :              -0.00011063925873
                   +0 :               0.00010763308604
                   +1 :               0.00008414327536
                3p
                   -1 :               0.00001774005895
                   +0 :              -0.00014132872720
                   +1 :              -0.00002283422601
                3d
                   -2 :               0.00000491501536
                   -1 :              -0.00000603428131
                   +0 :               0.00000744598762
                   +1 :               0.00001076837406
                   +2 :              -0.00000762838018
             13 vec=    12.757651    -10.359920      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00002235515781
                2s
                   +0 :               0.00015319948963
                3s
                   +0 :              -0.00004375780495
                2p
                   -1 :              -0.00015076115135
                   +0 :               0.00001255853393
                   +1 :               0.00003301460315
                3p
                   -1 :               0.00009486300717
                   +0 :               0.00001617983784
                   +1 :               0.00000749052853
                3d
                   -2 :              -0.00000410821433
                   -1 :               0.00000295716886
                   +0 :               0.00000586409215
                   +1 :              -0.00000309619771
                   +2 :               0.00000993656286
             14 vec=    -2.802674     16.591354      4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00001758871426
                2s
                   +0 :              -0.00008973146770
                3s
                   +0 :               0.00005448437152
                2p
                   -1 :              -0.00000296059183
                   +0 :               0.00001035879595
                   +1 :              -0.00001524261871
                3p
                   -1 :               0.00000264856869
                   +0 :              -0.00000576462873
                   +1 :               0.00002476707526
                3d
                   -2 :               0.00001026320242
                   -1 :              -0.00000119179448
                   +0 :              -0.00000032209907
                   +1 :               0.00000347245050
                   +2 :              -0.00000270051916
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 19)  npairs=  12
              1 vec=     4.768202      0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00500116079441
                2s
                   +0 :               0.11467145201937
                3s
                   +0 :              -0.01179453236750
                2p
                   -1 :              -0.00735704570468
                   +0 :               0.00433644446399
                   +1 :               0.07070965299315
                3p
                   -1 :               0.00369850724121
                   +0 :              -0.00389589384139
                   +1 :              -0.00987261315559
                3d
                   -2 :               0.00123254255944
                   -1 :               0.00105605182125
                   +0 :              -0.00237622233094
                   +1 :              -0.00015369658064
                   +2 :               0.00357790419892
              2 vec=    -3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00152446515741
                2s
                   +0 :              -0.03024357332366
                3s
                   +0 :               0.00283990499332
                2p
                   -1 :               0.02129810785315
                   +0 :               0.00196309261985
                   +1 :               0.00959676578663
                3p
                   -1 :              -0.00255445569516
                   +0 :              -0.00153147714461
                   +1 :              -0.00044144756684
                3d
                   -2 :              -0.00083703252699
                   -1 :              -0.00033419682951
                   +0 :               0.00077646185067
                   +1 :              -0.00029353552148
                   +2 :               0.00115204360768
              3 vec=    -3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00014977751285
                2s
                   +0 :              -0.02689715575331
                3s
                   +0 :              -0.00463479357210
                2p
                   -1 :              -0.02135380761122
                   +0 :               0.00317689286222
                   +1 :               0.00805282773299
                3p
                   -1 :              -0.00442347939266
                   +0 :              -0.00349374863974
                   +1 :               0.00212815635239
                3d
                   -2 :               0.00189495961006
                   -1 :              -0.00069358399046
                   +0 :               0.00126732038339
                   +1 :              -0.00053628144972
                   +2 :               0.00148388921262
              4 vec=     4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00022650381566
                2s
                   +0 :               0.00249563952212
                3s
                   +0 :              -0.00042966371523
                2p
                   -1 :              -0.00258218655438
                   +0 :              -0.00037684444896
                   +1 :               0.00172830760197
                3p
                   -1 :               0.00054087720292
                   +0 :               0.00019696670512
                   +1 :              -0.00072630623230
                3d
                   -2 :              -0.00002289247311
                   -1 :               0.00006292396795
                   +0 :               0.00005085417156
                   +1 :               0.00002111879459
                   +2 :              -0.00006431325759
              5 vec=     4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00028291948004
                2s
                   +0 :               0.00298408271380
                3s
                   +0 :              -0.00018623190011
                2p
                   -1 :               0.00391698207371
                   +0 :              -0.00004132016632
                   +1 :               0.00126147673338
                3p
                   -1 :               0.00015158036114
                   +0 :               0.00021800275486
                   +1 :              -0.00002489519442
                3d
                   -2 :               0.00025530761928
                   -1 :               0.00009302154341
                   +0 :              -0.00019363335465
                   +1 :               0.00000603639605
                   +2 :              -0.00015181746605
              6 vec=   -10.792123     -0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00099705846793
                2s
                   +0 :              -0.00825017149957
                3s
                   +0 :               0.00250755895906
                2p
                   -1 :              -0.00009104554337
                   +0 :              -0.00162060632131
                   +1 :               0.00784575777790
                3p
                   -1 :              -0.00009767721322
                   +0 :               0.00155761315483
                   +1 :              -0.00266109941282
                3d
                   -2 :               0.00005509391349
                   -1 :              -0.00004948614202
                   +0 :               0.00006130390826
                   +1 :              -0.00009191835776
                   +2 :              -0.00006861508675
              7 vec=    12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00007323717076
                2s
                   +0 :               0.00100434465956
                3s
                   +0 :              -0.00001062652170
                2p
                   -1 :              -0.00042479603909
                   +0 :               0.00007864791927
                   +1 :              -0.00029086685768
                3p
                   -1 :              -0.00010138112914
                   +0 :              -0.00008453019630
                   +1 :               0.00033542075951
                3d
                   -2 :              -0.00000412049349
                   -1 :               0.00001874729766
                   +0 :              -0.00002644079303
                   +1 :              -0.00000446646658
                   +2 :              -0.00003910972906
              8 vec=    12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00001999353390
                2s
                   +0 :               0.00061574333381
                3s
                   +0 :               0.00002450834858
                2p
                   -1 :               0.00034091061933
                   +0 :              -0.00011023563155
                   +1 :              -0.00017550729848
                3p
                   -1 :              -0.00012486847047
                   +0 :               0.00011827148346
                   +1 :               0.00026711510246
                3d
                   -2 :              -0.00003238856117
                   -1 :               0.00000669151747
                   +0 :              -0.00003004707561
                   +1 :              -0.00000928050177
                   +2 :               0.00000577032973
              9 vec=    -3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00000846674806
                2s
                   +0 :              -0.00012689886504
                3s
                   +0 :               0.00003662022262
                2p
                   -1 :               0.00007567695546
                   +0 :              -0.00006064995054
                   +1 :              -0.00022180700250
                3p
                   -1 :              -0.00005707719038
                   +0 :               0.00003760679939
                   +1 :              -0.00011943502258
                3d
                   -2 :               0.00005218502164
                   -1 :              -0.00000020339982
                   +0 :              -0.00001452047992
                   +1 :               0.00001562926982
                   +2 :              -0.00000731963260
             10 vec=    -3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005381268008
                2s
                   +0 :               0.00039546831056
                3s
                   +0 :              -0.00014549819796
                2p
                   -1 :               0.00035122336311
                   +0 :              -0.00010275620510
                   +1 :              -0.00057784701197
                3p
                   -1 :              -0.00019737187082
                   +0 :               0.00010076568416
                   +1 :               0.00012395231665
                3d
                   -2 :              -0.00004132008870
                   -1 :               0.00000120991678
                   +0 :               0.00002934890960
                   +1 :               0.00000552838354
                   +2 :               0.00000046046423
             11 vec=   -10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00005374809212
                2s
                   +0 :              -0.00072833764145
                3s
                   +0 :               0.00013697843262
                2p
                   -1 :               0.00028311912202
                   +0 :               0.00007227673886
                   +1 :               0.00030049331701
                3p
                   -1 :               0.00001694049798
                   +0 :              -0.00005126780895
                   +1 :              -0.00000095765203
                3d
                   -2 :              -0.00000713272532
                   -1 :              -0.00001024823435
                   +0 :               0.00000717033442
                   +1 :               0.00000011891472
                   +2 :               0.00001342732395
             12 vec=   -10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00009348470134
                2s
                   +0 :              -0.00090490325253
                3s
                   +0 :               0.00023857469899
                2p
                   -1 :               0.00002920293702
                   +0 :               0.00009314489876
                   +1 :               0.00072331970544
                3p
                   -1 :              -0.00003107252361
                   +0 :              -0.00006795196682
                   +1 :              -0.00035868685729
                3d
                   -2 :              -0.00002430388630
                   -1 :               0.00000286588418
                   +0 :              -0.00002604085849
                   +1 :               0.00000327818744
                   +2 :               0.00000896791164
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 20)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00144461891725
                2s
                   +0 :               0.00239859886352
                3s
                   +0 :               0.00620285323175
                2p
                   -1 :              -0.00857451916302
                   +0 :               0.01498117680823
                   +1 :               0.86826229633532
                3p
                   -1 :               0.00387744218212
                   +0 :              -0.00550292587988
                   +1 :              -0.03852964921715
                3d
                   -2 :               0.00376051725178
                   -1 :              -0.00083360089151
                   +0 :               0.00130988968326
                   +1 :               0.00228934718983
                   +2 :               0.00072081081653
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00047660537999
                2s
                   +0 :              -0.00170164419259
                3s
                   +0 :               0.00022850086353
                2p
                   -1 :               0.00164143458510
                   +0 :              -0.00003954164937
                   +1 :               0.00071025310394
                3p
                   -1 :               0.00061345213839
                   +0 :               0.00007434919976
                   +1 :              -0.00001402593226
                3d
                   -2 :               0.00001119116348
                   -1 :               0.00021815946516
                   +0 :               0.00010378677350
                   +1 :              -0.00001286237301
                   +2 :               0.00029485011287
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00008819623726
                2s
                   +0 :               0.00103651263118
                3s
                   +0 :              -0.00071961198541
                2p
                   -1 :               0.00100579458460
                   +0 :              -0.00017910791458
                   +1 :              -0.00046820307413
                3p
                   -1 :              -0.00102165486574
                   +0 :               0.00014401104532
                   +1 :               0.00113936368943
                3d
                   -2 :               0.00011146065043
                   -1 :              -0.00010351242502
                   +0 :              -0.00014321489716
                   +1 :              -0.00011242209695
                   +2 :              -0.00020691178596
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00028573422226
                2s
                   +0 :               0.00203958037266
                3s
                   +0 :              -0.00108007133593
                2p
                   -1 :              -0.00226894796554
                   +0 :               0.00018066801978
                   +1 :              -0.00307035379939
                3p
                   -1 :               0.00168458205967
                   +0 :              -0.00009258798314
                   +1 :               0.00105008134143
                3d
                   -2 :              -0.00001978782230
                   -1 :               0.00006326724737
                   +0 :               0.00000402563106
                   +1 :               0.00002204603862
                   +2 :               0.00004847552881
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027266020926
                2s
                   +0 :              -0.00129342724684
                3s
                   +0 :               0.00115152688775
                2p
                   -1 :               0.00000820883947
                   +0 :              -0.00046673429934
                   +1 :              -0.00269309746917
                3p
                   -1 :               0.00125879056449
                   +0 :               0.00033174604510
                   +1 :               0.00036705919865
                3d
                   -2 :              -0.00023267314961
                   -1 :              -0.00000499676612
                   +0 :              -0.00006851945876
                   +1 :               0.00006068770414
                   +2 :              -0.00011959944787
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00008653142008
                2s
                   +0 :               0.00056987095913
                3s
                   +0 :               0.00021123930514
                2p
                   -1 :              -0.00120570322674
                   +0 :               0.00146979863104
                   +1 :               0.00050704722690
                3p
                   -1 :              -0.00116217316633
                   +0 :              -0.00133939065558
                   +1 :               0.00014611412199
                3d
                   -2 :              -0.00010999855626
                   -1 :              -0.00002712000467
                   +0 :              -0.00014964069759
                   +1 :              -0.00001585680346
                   +2 :              -0.00030900919767
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00012352350494
                2s
                   +0 :               0.00106100327141
                3s
                   +0 :               0.00010589481660
                2p
                   -1 :               0.00372845314557
                   +0 :              -0.00025399145829
                   +1 :               0.00199723495585
                3p
                   -1 :              -0.00107825805746
                   +0 :               0.00024110173369
                   +1 :              -0.00096547905134
                3d
                   -2 :              -0.00008386917910
                   -1 :              -0.00000246697973
                   +0 :               0.00004724690528
                   +1 :               0.00004146829449
                   +2 :              -0.00013224115385
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001078616612
                2s
                   +0 :              -0.00070616478865
                3s
                   +0 :              -0.00005670620005
                2p
                   -1 :               0.00022111152982
                   +0 :              -0.00032504343710
                   +1 :               0.00124128246351
                3p
                   -1 :              -0.00014368685137
                   +0 :               0.00031905598346
                   +1 :              -0.00030187405491
                3d
                   -2 :               0.00003139940911
                   -1 :               0.00002078520125
                   +0 :              -0.00000293218727
                   +1 :              -0.00004757409040
                   +2 :              -0.00002352939845
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002142181358
                2s
                   +0 :              -0.00045915496949
                3s
                   +0 :               0.00002467585028
                2p
                   -1 :               0.00044133083277
                   +0 :               0.00005209329099
                   +1 :               0.00034644456682
                3p
                   -1 :              -0.00002562852783
                   +0 :              -0.00006725519077
                   +1 :              -0.00010337708969
                3d
                   -2 :              -0.00001803361570
                   -1 :               0.00002008403653
                   +0 :               0.00001547804019
                   +1 :               0.00000005231235
                   +2 :               0.00001698060340
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005989951300
                2s
                   +0 :              -0.00073963941179
                3s
                   +0 :               0.00011208151869
                2p
                   -1 :              -0.00099217862109
                   +0 :               0.00004947765185
                   +1 :               0.00013697386034
                3p
                   -1 :               0.00027981946351
                   +0 :              -0.00002627627886
                   +1 :               0.00003608136081
                3d
                   -2 :               0.00003126618767
                   -1 :              -0.00000916134612
                   +0 :               0.00000210093906
                   +1 :              -0.00000518092974
                   +2 :               0.00001091610333
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001966688765
                2s
                   +0 :               0.00034380215623
                3s
                   +0 :               0.00000473936985
                2p
                   -1 :              -0.00027434606447
                   +0 :               0.00009172675674
                   +1 :               0.00008335543417
                3p
                   -1 :              -0.00003724531562
                   +0 :              -0.00006490085846
                   +1 :               0.00007395234944
                3d
                   -2 :              -0.00002141965280
                   -1 :               0.00000565598502
                   +0 :              -0.00001686823204
                   +1 :               0.00000797813140
                   +2 :              -0.00000232710173
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008938216853
                2s
                   +0 :               0.00088532363859
                3s
                   +0 :              -0.00021246668971
                2p
                   -1 :               0.00077869602513
                   +0 :               0.00019393510360
                   +1 :               0.00032057312493
                3p
                   -1 :              -0.00021970627341
                   +0 :              -0.00018578262770
                   +1 :              -0.00002905445217
                3d
                   -2 :               0.00002657205037
                   -1 :              -0.00000760597529
                   +0 :              -0.00001215806749
                   +1 :               0.00000989474601
                   +2 :              -0.00000057029216
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00012808589754
                2s
                   +0 :               0.00141056743105
                3s
                   +0 :              -0.00024036877073
                2p
                   -1 :               0.00001983647176
                   +0 :              -0.00015698736391
                   +1 :               0.00129420719512
                3p
                   -1 :               0.00001989555423
                   +0 :               0.00015339990600
                   +1 :              -0.00016932918442
                3d
                   -2 :               0.00001682859836
                   -1 :              -0.00002388396460
                   +0 :              -0.00003601880784
                   +1 :               0.00000920446015
                   +2 :               0.00006077759313
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001153645713
                2s
                   +0 :              -0.00010501378331
                3s
                   +0 :               0.00000772684326
                2p
                   -1 :               0.00000927707337
                   +0 :              -0.00001032816400
                   +1 :               0.00006171250587
                3p
                   -1 :               0.00001719724720
                   +0 :               0.00000591728567
                   +1 :               0.00001716270668
                3d
                   -2 :               0.00000354779855
                   -1 :               0.00000145189691
                   +0 :              -0.00000077084612
                   +1 :              -0.00000355504754
                   +2 :               0.00000029149972
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001164814553
                2s
                   +0 :              -0.00014933742448
                3s
                   +0 :               0.00002299523282
                2p
                   -1 :              -0.00008671012108
                   +0 :               0.00004475173493
                   +1 :               0.00014532535567
                3p
                   -1 :               0.00000209515568
                   +0 :              -0.00003017138266
                   +1 :              -0.00003499827354
                3d
                   -2 :              -0.00000055481363
                   -1 :               0.00000268356374
                   +0 :               0.00000321000901
                   +1 :               0.00000468884769
                   +2 :               0.00000395874984
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000648764271
                2s
                   +0 :              -0.00004918050721
                3s
                   +0 :               0.00002344431751
                2p
                   -1 :               0.00006620237784
                   +0 :               0.00001826555102
                   +1 :              -0.00003186820628
                3p
                   -1 :              -0.00004577235806
                   +0 :              -0.00001704564469
                   +1 :              -0.00000379359004
                3d
                   -2 :               0.00000326207346
                   -1 :               0.00000181254013
                   +0 :              -0.00000010757675
                   +1 :              -0.00000146158561
                   +2 :              -0.00000323061287
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000611087096
                2s
                   +0 :              -0.00003151259280
                3s
                   +0 :               0.00001278807460
                2p
                   -1 :              -0.00006185527321
                   +0 :              -0.00004915526347
                   +1 :              -0.00007535760096
                3p
                   -1 :               0.00005264531901
                   +0 :               0.00004330956389
                   +1 :               0.00003079697059
                3d
                   -2 :              -0.00000090047252
                   -1 :               0.00000196655151
                   +0 :               0.00000165562041
                   +1 :               0.00000184866906
                   +2 :               0.00000087956175
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001829176210
                2s
                   +0 :               0.00020020053153
                3s
                   +0 :              -0.00004577633742
                2p
                   -1 :              -0.00006177285169
                   +0 :               0.00000914132195
                   +1 :               0.00014627498834
                3p
                   -1 :              -0.00001306168639
                   +0 :              -0.00000290124293
                   +1 :              -0.00002861533921
                3d
                   -2 :              -0.00000039056071
                   -1 :              -0.00000559159009
                   +0 :              -0.00000155013618
                   +1 :               0.00000098242984
                   +2 :              -0.00000201287664
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000984849893
                2s
                   +0 :               0.00010751022388
                3s
                   +0 :              -0.00001052822939
                2p
                   -1 :               0.00004963965319
                   +0 :               0.00000236317943
                   +1 :               0.00010295573849
                3p
                   -1 :              -0.00001709156864
                   +0 :               0.00000142217610
                   +1 :              -0.00001163255233
                3d
                   -2 :              -0.00000166659141
                   -1 :              -0.00000009026004
                   +0 :              -0.00000020413669
                   +1 :              -0.00000000845547
                   +2 :               0.00000337339530
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 21)  npairs=  12
              1 vec=     2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00163342810520
                2s
                   +0 :               0.05498406346103
                3s
                   +0 :              -0.00413728099446
                2p
                   -1 :               0.04164970466721
                   +0 :              -0.00370456749994
                   +1 :               0.00826105993735
                3p
                   -1 :              -0.00746987613560
                   +0 :               0.00200602278137
                   +1 :              -0.00178401220067
                3d
                   -2 :               0.00127134671787
                   -1 :               0.00037495356903
                   +0 :              -0.00055047635120
                   +1 :              -0.00048834227746
                   +2 :              -0.00124365814658
              2 vec=    -5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00074726583795
                2s
                   +0 :              -0.04739763043227
                3s
                   +0 :              -0.00279634954702
                2p
                   -1 :               0.00314880903576
                   +0 :               0.00368544372653
                   +1 :               0.03404795928316
                3p
                   -1 :               0.00311713162857
                   +0 :              -0.00435515729730
                   +1 :               0.00665284635645
                3d
                   -2 :              -0.00038751374871
                   -1 :              -0.00003497529272
                   +0 :               0.00190797003783
                   +1 :               0.00099425074171
                   +2 :              -0.00350586617432
              3 vec=     2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00213161895492
                2s
                   +0 :               0.02811672750033
                3s
                   +0 :              -0.00546979755041
                2p
                   -1 :              -0.01783163340110
                   +0 :              -0.00050002992140
                   +1 :               0.00261555670590
                3p
                   -1 :               0.00328088613550
                   +0 :               0.00024874379872
                   +1 :               0.00080375897526
                3d
                   -2 :              -0.00045439648651
                   -1 :               0.00005230227905
                   +0 :              -0.00039326014795
                   +1 :              -0.00042609118284
                   +2 :              -0.00070426289372
              4 vec=    -5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00074534609573
                2s
                   +0 :              -0.00604906413874
                3s
                   +0 :               0.00163007410624
                2p
                   -1 :              -0.00588407665216
                   +0 :               0.00017203488954
                   +1 :               0.00065751662696
                3p
                   -1 :               0.00136932891884
                   +0 :              -0.00016739468705
                   +1 :               0.00113975445340
                3d
                   -2 :               0.00035235127968
                   -1 :              -0.00007038332999
                   +0 :               0.00038334002134
                   +1 :               0.00011391950875
                   +2 :               0.00005390640650
              5 vec=    10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00051466037681
                2s
                   +0 :               0.00602924852614
                3s
                   +0 :              -0.00038369083754
                2p
                   -1 :              -0.00149723373522
                   +0 :              -0.00037577434310
                   +1 :               0.00837982369434
                3p
                   -1 :               0.00013153071831
                   +0 :              -0.00001258714896
                   +1 :              -0.00073007424016
                3d
                   -2 :              -0.00002200193082
                   -1 :               0.00001374783803
                   +0 :              -0.00018985676253
                   +1 :              -0.00011275542974
                   +2 :               0.00043494591917
              6 vec=    -5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00031583512598
                2s
                   +0 :              -0.00319841914422
                3s
                   +0 :               0.00061135349495
                2p
                   -1 :               0.00338289735001
                   +0 :               0.00037361752010
                   +1 :               0.00080456226134
                3p
                   -1 :              -0.00085036964450
                   +0 :              -0.00036262219039
                   +1 :              -0.00006539467677
                3d
                   -2 :              -0.00007137108593
                   -1 :              -0.00002272630570
                   +0 :               0.00006884904726
                   +1 :               0.00008249026349
                   +2 :               0.00009903680558
              7 vec=     2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00008469452474
                2s
                   +0 :               0.00066728935811
                3s
                   +0 :              -0.00014212393243
                2p
                   -1 :              -0.00010791580520
                   +0 :              -0.00015267997828
                   +1 :              -0.00038321149563
                3p
                   -1 :               0.00017969190381
                   +0 :               0.00015180820346
                   +1 :               0.00011645276380
                3d
                   -2 :              -0.00001234886878
                   -1 :               0.00001420292280
                   +0 :              -0.00002553087678
                   +1 :              -0.00001424321460
                   +2 :               0.00001215631079
              8 vec=    10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00004801299211
                2s
                   +0 :               0.00095730702182
                3s
                   +0 :              -0.00003336565488
                2p
                   -1 :              -0.00002119684301
                   +0 :               0.00006196161825
                   +1 :               0.00039103760680
                3p
                   -1 :               0.00036928624142
                   +0 :              -0.00007442093833
                   +1 :              -0.00003466615286
                3d
                   -2 :               0.00003565480505
                   -1 :               0.00000652034412
                   +0 :              -0.00002686522840
                   +1 :              -0.00000154328841
                   +2 :              -0.00003157681682
              9 vec=   -13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00006088715801
                2s
                   +0 :              -0.00085869027692
                3s
                   +0 :               0.00017247169959
                2p
                   -1 :              -0.00071487626931
                   +0 :               0.00005759662318
                   +1 :               0.00024128756143
                3p
                   -1 :               0.00022913739485
                   +0 :              -0.00005125893832
                   +1 :              -0.00003595060995
                3d
                   -2 :               0.00000579960658
                   -1 :              -0.00002784984028
                   +0 :               0.00001061769080
                   +1 :              -0.00000038255071
                   +2 :               0.00001237830764
             10 vec=    10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005407695171
                2s
                   +0 :               0.00073367465329
                3s
                   +0 :              -0.00006569960312
                2p
                   -1 :              -0.00081964364539
                   +0 :              -0.00003199785792
                   +1 :               0.00021902127547
                3p
                   -1 :               0.00032582857344
                   +0 :               0.00000975370122
                   +1 :               0.00008952560542
                3d
                   -2 :              -0.00000047975798
                   -1 :              -0.00000452591913
                   +0 :              -0.00000757175401
                   +1 :              -0.00001287916520
                   +2 :               0.00002238340873
             11 vec=   -13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000194919373
                2s
                   +0 :              -0.00030999494971
                3s
                   +0 :               0.00001796464228
                2p
                   -1 :              -0.00002203663669
                   +0 :              -0.00018188576557
                   +1 :               0.00005698475301
                3p
                   -1 :               0.00010640165078
                   +0 :               0.00016030502732
                   +1 :               0.00003216146245
                3d
                   -2 :               0.00001384090641
                   -1 :              -0.00000556383337
                   +0 :               0.00000741117564
                   +1 :              -0.00000237898391
                   +2 :               0.00001354163870
             12 vec=     2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000614002370
                2s
                   +0 :               0.00002943555787
                3s
                   +0 :               0.00004535992303
                2p
                   -1 :              -0.00003090238065
                   +0 :               0.00012750328309
                   +1 :              -0.00013938465606
                3p
                   -1 :               0.00000579741728
                   +0 :              -0.00011872801686
                   +1 :              -0.00002225278208
                3d
                   -2 :               0.00000559776122
                   -1 :               0.00000177357117
                   +0 :              -0.00000882731031
                   +1 :              -0.00001129622202
                   +2 :               0.00000568167089
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 22)  npairs=  14
              1 vec=     0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00008686287782
                2s
                   +0 :               0.00064596959803
                3s
                   +0 :              -0.00036305492822
                2p
                   -1 :               0.00015075739127
                   +0 :              -0.00042334985889
                   +1 :               0.00022077722572
                3p
                   -1 :              -0.00006041681005
                   +0 :               0.00041556596834
                   +1 :              -0.00005303851781
                3d
                   -2 :              -0.00000416640244
                   -1 :               0.00001385794910
                   +0 :              -0.00004151658873
                   +1 :              -0.00000022775785
                   +2 :              -0.00001291285344
              2 vec=     0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008664865060
                2s
                   +0 :              -0.00067457447844
                3s
                   +0 :               0.00028698778628
                2p
                   -1 :               0.00020921146792
                   +0 :              -0.00054576993996
                   +1 :               0.00036158788186
                3p
                   -1 :              -0.00022055122343
                   +0 :               0.00038721543267
                   +1 :              -0.00023417472663
                3d
                   -2 :               0.00001469151881
                   -1 :              -0.00002247378589
                   +0 :               0.00003795204358
                   +1 :              -0.00000886971498
                   +2 :              -0.00000513085450
              3 vec=     0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001570170963
                2s
                   +0 :               0.00020013370101
                3s
                   +0 :              -0.00006953031133
                2p
                   -1 :              -0.00013413513386
                   +0 :              -0.00033198736222
                   +1 :              -0.00061044934574
                3p
                   -1 :               0.00002881547396
                   +0 :               0.00010235624893
                   +1 :               0.00012284572775
                3d
                   -2 :              -0.00000449578086
                   -1 :               0.00001408986690
                   +0 :              -0.00000226513103
                   +1 :               0.00002602265261
                   +2 :               0.00000124417976
              4 vec=     0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00007896100897
                2s
                   +0 :              -0.00036874762557
                3s
                   +0 :               0.00024510755899
                2p
                   -1 :               0.00020536142786
                   +0 :               0.00036946027644
                   +1 :              -0.00082434579087
                3p
                   -1 :              -0.00026652874470
                   +0 :              -0.00001025845462
                   +1 :               0.00014110066041
                3d
                   -2 :               0.00000186749288
                   -1 :              -0.00002619955323
                   +0 :               0.00000254374134
                   +1 :              -0.00002623767359
                   +2 :              -0.00000927840280
              5 vec=    -7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00002948181365
                2s
                   +0 :              -0.00027717349226
                3s
                   +0 :               0.00005026222153
                2p
                   -1 :              -0.00012043497663
                   +0 :               0.00017534841747
                   +1 :              -0.00003877407507
                3p
                   -1 :               0.00014559665302
                   +0 :              -0.00008076233257
                   +1 :               0.00003714663604
                3d
                   -2 :              -0.00000453910798
                   -1 :              -0.00002298873046
                   +0 :               0.00002142446798
                   +1 :               0.00000151463009
                   +2 :               0.00000313191961
              6 vec=    -7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000195145097
                2s
                   +0 :              -0.00020691625623
                3s
                   +0 :              -0.00003798206640
                2p
                   -1 :               0.00034447827488
                   +0 :              -0.00040352351948
                   +1 :               0.00038572812180
                3p
                   -1 :              -0.00012510835085
                   +0 :               0.00016775705999
                   +1 :              -0.00025278804598
                3d
                   -2 :               0.00000501481716
                   -1 :               0.00000826131966
                   +0 :               0.00001333995094
                   +1 :              -0.00000154300779
                   +2 :               0.00001430078997
              7 vec=     7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001354643603
                2s
                   +0 :               0.00016364699298
                3s
                   +0 :               0.00000965573896
                2p
                   -1 :               0.00000146486440
                   +0 :              -0.00001659789908
                   +1 :              -0.00005256984683
                3p
                   -1 :              -0.00001812502220
                   +0 :              -0.00004095160119
                   +1 :               0.00006840637456
                3d
                   -2 :              -0.00000176881411
                   -1 :               0.00001397252863
                   +0 :               0.00000863369787
                   +1 :               0.00000337473675
                   +2 :              -0.00001807712073
              8 vec=     7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001589070861
                2s
                   +0 :               0.00017755626241
                3s
                   +0 :              -0.00008803437245
                2p
                   -1 :              -0.00003221859924
                   +0 :               0.00010159278956
                   +1 :              -0.00006005629319
                3p
                   -1 :              -0.00008269538708
                   +0 :              -0.00001582399766
                   +1 :               0.00002902927044
                3d
                   -2 :              -0.00000589734521
                   -1 :              -0.00000885476283
                   +0 :              -0.00001800784192
                   +1 :               0.00000640023875
                   +2 :              -0.00000673595991
              9 vec=    -7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001206741997
                2s
                   +0 :              -0.00012774859182
                3s
                   +0 :               0.00000768732220
                2p
                   -1 :               0.00007783523476
                   +0 :              -0.00011614804073
                   +1 :               0.00009839139157
                3p
                   -1 :              -0.00012773396543
                   +0 :               0.00011635250774
                   +1 :              -0.00010854001607
                3d
                   -2 :               0.00000767595119
                   -1 :               0.00001623461020
                   +0 :              -0.00000690156379
                   +1 :               0.00001063255384
                   +2 :               0.00001115765751
             10 vec=    -7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002620933389
                2s
                   +0 :              -0.00015215428254
                3s
                   +0 :               0.00005009379078
                2p
                   -1 :              -0.00007669062937
                   +0 :              -0.00016153286234
                   +1 :               0.00034448311964
                3p
                   -1 :               0.00000501559411
                   +0 :               0.00006402487513
                   +1 :              -0.00028712779895
                3d
                   -2 :              -0.00001778688154
                   -1 :               0.00000927038275
                   +0 :               0.00001145168364
                   +1 :              -0.00001802366088
                   +2 :               0.00000162022004
             11 vec=     7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001206338690
                2s
                   +0 :              -0.00004786439135
                3s
                   +0 :               0.00009254582389
                2p
                   -1 :              -0.00012164992279
                   +0 :               0.00017671724731
                   +1 :               0.00016637779960
                3p
                   -1 :               0.00013327820062
                   +0 :              -0.00017391416605
                   +1 :              -0.00006374871018
                3d
                   -2 :               0.00001721506343
                   -1 :              -0.00000892982128
                   +0 :               0.00002028278326
                   +1 :              -0.00001081718986
                   +2 :               0.00000348327374
             12 vec=     7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000469396439
                2s
                   +0 :              -0.00003660911846
                3s
                   +0 :               0.00002472890414
                2p
                   -1 :               0.00000145857740
                   +0 :              -0.00003315672732
                   +1 :              -0.00015400279777
                3p
                   -1 :               0.00000632516227
                   +0 :               0.00006290466253
                   +1 :               0.00012557840818
                3d
                   -2 :               0.00000235999555
                   -1 :               0.00000002243718
                   +0 :               0.00000340675276
                   +1 :               0.00000675964956
                   +2 :              -0.00001358438524
             13 vec=     0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001241073040
                2s
                   +0 :              -0.00008150313215
                3s
                   +0 :               0.00005778252870
                2p
                   -1 :              -0.00007954159101
                   +0 :               0.00011846292412
                   +1 :               0.00011311120116
                3p
                   -1 :               0.00006653122030
                   +0 :              -0.00010882875904
                   +1 :              -0.00006723032615
                3d
                   -2 :               0.00001063555737
                   -1 :              -0.00000675661959
                   +0 :               0.00001697579895
                   +1 :              -0.00000103701707
                   +2 :               0.00000056754107
             14 vec=     0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001077960265
                2s
                   +0 :               0.00005646631752
                3s
                   +0 :              -0.00001619762399
                2p
                   -1 :              -0.00004387063614
                   +0 :               0.00004518733727
                   +1 :              -0.00009868282344
                3p
                   -1 :               0.00004762993934
                   +0 :              -0.00001165398262
                   +1 :               0.00009829113982
                3d
                   -2 :               0.00000672555769
                   -1 :               0.00000573519079
                   +0 :              -0.00000100169689
                   +1 :               0.00000575943676
                   +2 :              -0.00000824393543
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 23)  npairs=  18
              1 vec=    -3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00004229631753
                2s
                   +0 :               0.00025192254821
                3s
                   +0 :              -0.00020629543851
                2p
                   -1 :               0.00002681828056
                   +0 :              -0.00026447189534
                   +1 :               0.00001732980281
                3p
                   -1 :              -0.00007533205150
                   +0 :               0.00025940601291
                   +1 :              -0.00003724796111
                3d
                   -2 :               0.00000177147032
                   -1 :              -0.00000177271232
                   +0 :              -0.00001353651843
                   +1 :              -0.00000097552139
                   +2 :              -0.00000447417087
              2 vec=    -3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00005677611532
                2s
                   +0 :              -0.00049659311382
                3s
                   +0 :               0.00019012094196
                2p
                   -1 :              -0.00050186138681
                   +0 :              -0.00026373935270
                   +1 :              -0.00004797991220
                3p
                   -1 :               0.00033436216475
                   +0 :               0.00015333369368
                   +1 :               0.00004668936618
                3d
                   -2 :              -0.00001986812060
                   -1 :              -0.00000336694003
                   +0 :               0.00005052024469
                   +1 :               0.00001268548762
                   +2 :               0.00000293516885
              3 vec=     4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00005928091671
                2s
                   +0 :               0.00043717525043
                3s
                   +0 :              -0.00013874280938
                2p
                   -1 :               0.00009127779538
                   +0 :              -0.00033056604496
                   +1 :               0.00018373971279
                3p
                   -1 :               0.00009640168829
                   +0 :               0.00013784456288
                   +1 :              -0.00018360941582
                3d
                   -2 :              -0.00000721592393
                   -1 :              -0.00004683449320
                   +0 :              -0.00001889495933
                   +1 :               0.00002335689647
                   +2 :              -0.00000791559670
              4 vec=     4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00003103098764
                2s
                   +0 :               0.00027927130771
                3s
                   +0 :              -0.00004750291475
                2p
                   -1 :               0.00050972110675
                   +0 :               0.00042347502238
                   +1 :              -0.00047277774435
                3p
                   -1 :              -0.00013754274110
                   +0 :              -0.00010883905901
                   +1 :               0.00028537465052
                3d
                   -2 :              -0.00000418639408
                   -1 :              -0.00000038671699
                   +0 :               0.00000257813812
                   +1 :               0.00001016821720
                   +2 :              -0.00001444647075
              5 vec=    -3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00002981369286
                2s
                   +0 :              -0.00013745457139
                3s
                   +0 :               0.00012042239321
                2p
                   -1 :              -0.00004655053624
                   +0 :               0.00003557761509
                   +1 :              -0.00032107001753
                3p
                   -1 :               0.00001952017997
                   +0 :              -0.00013303068929
                   +1 :               0.00024168534983
                3d
                   -2 :               0.00000904171938
                   -1 :              -0.00000304563616
                   +0 :               0.00001661743939
                   +1 :              -0.00001637499164
                   +2 :               0.00000011055594
              6 vec=    -3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001882172896
                2s
                   +0 :               0.00008311754850
                3s
                   +0 :              -0.00003810430407
                2p
                   -1 :               0.00019175762840
                   +0 :               0.00033719201422
                   +1 :              -0.00025467314509
                3p
                   -1 :              -0.00017182975129
                   +0 :              -0.00020490209219
                   +1 :               0.00017164932895
                3d
                   -2 :              -0.00000411161416
                   -1 :              -0.00000909114030
                   +0 :              -0.00001703958243
                   +1 :               0.00000339204824
                   +2 :               0.00001156886371
              7 vec=     4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004594272852
                2s
                   +0 :               0.00065071132019
                3s
                   +0 :              -0.00006595218102
                2p
                   -1 :              -0.00013397786780
                   +0 :              -0.00048590305867
                   +1 :               0.00022020912641
                3p
                   -1 :               0.00000450752311
                   +0 :               0.00006652923349
                   +1 :              -0.00010192738606
                3d
                   -2 :               0.00000188102668
                   -1 :              -0.00000291363757
                   +0 :               0.00000982993198
                   +1 :              -0.00000677742227
                   +2 :              -0.00000229683950
              8 vec=     4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001630819145
                2s
                   +0 :               0.00024869953179
                3s
                   +0 :              -0.00003601317443
                2p
                   -1 :              -0.00003258073245
                   +0 :               0.00036679584923
                   +1 :              -0.00000730347611
                3p
                   -1 :               0.00000765869252
                   +0 :              -0.00008040865187
                   +1 :               0.00007334398429
                3d
                   -2 :               0.00000275548727
                   -1 :               0.00000269630479
                   +0 :               0.00000528599898
                   +1 :               0.00001612140226
                   +2 :               0.00001053598629
              9 vec=   -10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001425459941
                2s
                   +0 :              -0.00016612020491
                3s
                   +0 :               0.00002488494036
                2p
                   -1 :              -0.00005444228139
                   +0 :               0.00005595664767
                   +1 :               0.00006987602649
                3p
                   -1 :               0.00003582358221
                   +0 :               0.00001328899910
                   +1 :              -0.00002000377514
                3d
                   -2 :               0.00000039442193
                   -1 :               0.00000033572237
                   +0 :               0.00000125956409
                   +1 :              -0.00000340398879
                   +2 :              -0.00000454155705
             10 vec=   -10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002628527971
                2s
                   +0 :               0.00013270655665
                3s
                   +0 :              -0.00011859208205
                2p
                   -1 :               0.00002977252400
                   +0 :               0.00015034037860
                   +1 :              -0.00009200275414
                3p
                   -1 :              -0.00006724613734
                   +0 :              -0.00027105045891
                   +1 :               0.00013724109777
                3d
                   -2 :              -0.00000190565822
                   -1 :              -0.00000679812180
                   +0 :              -0.00001798032895
                   +1 :               0.00000837444146
                   +2 :               0.00000593750697
             11 vec=    -3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000221219104
                2s
                   +0 :               0.00006035027908
                3s
                   +0 :               0.00003094148592
                2p
                   -1 :              -0.00007395182206
                   +0 :              -0.00002710830272
                   +1 :              -0.00003774377517
                3p
                   -1 :              -0.00002010816653
                   +0 :               0.00005668282226
                   +1 :               0.00000816301768
                3d
                   -2 :               0.00000336540828
                   -1 :               0.00002258040076
                   +0 :              -0.00000958159231
                   +1 :               0.00000619848606
                   +2 :              -0.00003265831505
             12 vec=    -3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000294211535
                2s
                   +0 :               0.00002994123780
                3s
                   +0 :              -0.00000797431794
                2p
                   -1 :              -0.00003416990998
                   +0 :              -0.00006097337328
                   +1 :              -0.00005211309060
                3p
                   -1 :               0.00001509956049
                   +0 :               0.00002903400456
                   +1 :              -0.00000802552647
                3d
                   -2 :               0.00000236856726
                   -1 :               0.00000192911791
                   +0 :               0.00000200346120
                   +1 :              -0.00000194622799
                   +2 :              -0.00000197518924
             13 vec=   -10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000941890447
                2s
                   +0 :              -0.00010654936198
                3s
                   +0 :               0.00000896441527
                2p
                   -1 :               0.00002271425533
                   +0 :               0.00000540616317
                   +1 :               0.00005655131932
                3p
                   -1 :               0.00000585473294
                   +0 :               0.00002811208609
                   +1 :              -0.00001703231080
                3d
                   -2 :               0.00000404513896
                   -1 :               0.00000237441253
                   +0 :              -0.00000001998388
                   +1 :               0.00000006349031
                   +2 :              -0.00000341417036
             14 vec=   -10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001189336946
                2s
                   +0 :              -0.00012137082347
                3s
                   +0 :               0.00002123262734
                2p
                   -1 :               0.00003741149646
                   +0 :              -0.00003706422835
                   +1 :               0.00007958636910
                3p
                   -1 :              -0.00000042747580
                   +0 :              -0.00001549431654
                   +1 :              -0.00001776998499
                3d
                   -2 :              -0.00000382264501
                   -1 :               0.00000077681042
                   +0 :              -0.00000457448778
                   +1 :               0.00000368352593
                   +2 :               0.00000120845381
             15 vec=     4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001098220337
                2s
                   +0 :               0.00009692735155
                3s
                   +0 :              -0.00003250291908
                2p
                   -1 :               0.00011387316852
                   +0 :              -0.00003179524418
                   +1 :              -0.00000056462184
                3p
                   -1 :              -0.00008118719491
                   +0 :               0.00001237793286
                   +1 :              -0.00000348111706
                3d
                   -2 :              -0.00000109725383
                   -1 :               0.00000623967196
                   +0 :              -0.00000570776809
                   +1 :              -0.00000150971503
                   +2 :               0.00000798946463
             16 vec=     4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002898915347
                2s
                   +0 :               0.00018761389341
                3s
                   +0 :              -0.00009619482932
                2p
                   -1 :               0.00002448860590
                   +0 :               0.00010593183873
                   +1 :              -0.00000071979157
                3p
                   -1 :               0.00000142024972
                   +0 :              -0.00003281716795
                   +1 :              -0.00001759407321
                3d
                   -2 :              -0.00000015146027
                   -1 :              -0.00000094231914
                   +0 :              -0.00000226773253
                   +1 :              -0.00000629330549
                   +2 :              -0.00000357720571
             17 vec=    12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001576584162
                2s
                   +0 :               0.00012435082187
                3s
                   +0 :              -0.00004757242631
                2p
                   -1 :              -0.00008502883324
                   +0 :              -0.00011347461589
                   +1 :               0.00007335782676
                3p
                   -1 :               0.00003556112383
                   +0 :               0.00005442375118
                   +1 :              -0.00006839471047
                3d
                   -2 :               0.00000184322360
                   -1 :              -0.00000205630623
                   +0 :              -0.00000326392413
                   +1 :               0.00000460240051
                   +2 :               0.00000221420162
             18 vec=    12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000061332951
                2s
                   +0 :               0.00002213858599
                3s
                   +0 :              -0.00001354691592
                2p
                   -1 :              -0.00009992556631
                   +0 :              -0.00003097165898
                   +1 :               0.00001388752481
                3p
                   -1 :               0.00009190517288
                   +0 :               0.00003318472614
                   +1 :              -0.00001896884946
                3d
                   -2 :               0.00000598433158
                   -1 :               0.00000438297370
                   +0 :               0.00000496171796
                   +1 :              -0.00000343573503
                   +2 :              -0.00000199822420
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 24)  npairs=  14
              1 vec=     2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003345229530
                2s
                   +0 :              -0.00014556039108
                3s
                   +0 :               0.00012985116819
                2p
                   -1 :               0.00022328703638
                   +0 :               0.00025800955957
                   +1 :               0.00007311181847
                3p
                   -1 :              -0.00008611025747
                   +0 :              -0.00017631146804
                   +1 :              -0.00015328346974
                3d
                   -2 :              -0.00000468101386
                   -1 :              -0.00000409988126
                   +0 :               0.00002376845286
                   +1 :               0.00002713201148
                   +2 :               0.00000634776163
              2 vec=     2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004047069750
                2s
                   +0 :               0.00012023139805
                3s
                   +0 :              -0.00017605740726
                2p
                   -1 :               0.00017056926290
                   +0 :               0.00014903323316
                   +1 :              -0.00007427461904
                3p
                   -1 :              -0.00001356545583
                   +0 :              -0.00038138604270
                   +1 :              -0.00005925541183
                3d
                   -2 :               0.00001669547013
                   -1 :               0.00001344008404
                   +0 :              -0.00006991516787
                   +1 :              -0.00000682449982
                   +2 :              -0.00001756823948
              3 vec=    -5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00001213348546
                2s
                   +0 :              -0.00020061897346
                3s
                   +0 :              -0.00010370281144
                2p
                   -1 :              -0.00002492896864
                   +0 :              -0.00021188604394
                   +1 :               0.00002668952609
                3p
                   -1 :              -0.00014934912753
                   +0 :               0.00030403831153
                   +1 :               0.00002222560690
                3d
                   -2 :               0.00002795627249
                   -1 :               0.00002140121185
                   +0 :              -0.00002459023483
                   +1 :              -0.00001132266913
                   +2 :              -0.00001317923891
              4 vec=    -5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000643998215
                2s
                   +0 :              -0.00020960846802
                3s
                   +0 :              -0.00003996040871
                2p
                   -1 :              -0.00029200754487
                   +0 :              -0.00016596733223
                   +1 :              -0.00028399137945
                3p
                   -1 :               0.00008195975702
                   +0 :               0.00002326661101
                   +1 :               0.00013243837191
                3d
                   -2 :              -0.00000486487828
                   -1 :              -0.00000586262003
                   +0 :              -0.00003233228250
                   +1 :              -0.00000929313379
                   +2 :              -0.00001646645378
              5 vec=    -5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000848516069
                2s
                   +0 :              -0.00025342092490
                3s
                   +0 :              -0.00003321354045
                2p
                   -1 :              -0.00009628125077
                   +0 :               0.00007688847829
                   +1 :               0.00007694432861
                3p
                   -1 :               0.00005916886013
                   +0 :               0.00008325840141
                   +1 :               0.00001940557958
                3d
                   -2 :               0.00000359257386
                   -1 :               0.00000740120103
                   +0 :              -0.00000432254228
                   +1 :              -0.00002087993598
                   +2 :               0.00000132087827
              6 vec=    -5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000052152840
                2s
                   +0 :              -0.00009987881190
                3s
                   +0 :              -0.00005685801141
                2p
                   -1 :               0.00001943553550
                   +0 :              -0.00002132589303
                   +1 :              -0.00000994007609
                3p
                   -1 :               0.00001859158147
                   +0 :              -0.00018919248270
                   +1 :               0.00004550069964
                3d
                   -2 :              -0.00001115011349
                   -1 :               0.00001553527673
                   +0 :              -0.00001739040158
                   +1 :               0.00002444122663
                   +2 :              -0.00000627743913
              7 vec=     2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002449607915
                2s
                   +0 :               0.00012835066315
                3s
                   +0 :              -0.00010943507080
                2p
                   -1 :              -0.00004353797148
                   +0 :              -0.00002293495485
                   +1 :              -0.00004110050668
                3p
                   -1 :               0.00003841856263
                   +0 :               0.00007911412849
                   +1 :               0.00006253110669
                3d
                   -2 :               0.00000184102463
                   -1 :               0.00000423348029
                   +0 :              -0.00000245728056
                   +1 :              -0.00001064116985
                   +2 :              -0.00001496601601
              8 vec=     2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00005899877093
                2s
                   +0 :              -0.00048837517796
                3s
                   +0 :               0.00017862541447
                2p
                   -1 :              -0.00032715899290
                   +0 :              -0.00038126698176
                   +1 :              -0.00012808391704
                3p
                   -1 :               0.00022223450187
                   +0 :               0.00014699878957
                   +1 :               0.00006506893262
                3d
                   -2 :              -0.00000771016331
                   -1 :              -0.00000115927124
                   +0 :               0.00000388937558
                   +1 :               0.00002383094141
                   +2 :              -0.00001248992280
              9 vec=     2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000972328222
                2s
                   +0 :               0.00010531262830
                3s
                   +0 :              -0.00004394961846
                2p
                   -1 :               0.00002107097621
                   +0 :              -0.00008278510947
                   +1 :              -0.00003641194335
                3p
                   -1 :              -0.00002895166831
                   +0 :               0.00004898303754
                   +1 :              -0.00000618290014
                3d
                   -2 :               0.00000561332565
                   -1 :               0.00000284293019
                   +0 :              -0.00000399628275
                   +1 :               0.00000296986077
                   +2 :              -0.00000280426672
             10 vec=     2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001172763423
                2s
                   +0 :               0.00006350649798
                3s
                   +0 :              -0.00003745919405
                2p
                   -1 :               0.00004073282457
                   +0 :               0.00000313291250
                   +1 :              -0.00003421148211
                3p
                   -1 :              -0.00002753072707
                   +0 :               0.00002837161575
                   +1 :               0.00001383438984
                3d
                   -2 :              -0.00000021647676
                   -1 :               0.00000258325140
                   +0 :              -0.00000315706490
                   +1 :              -0.00000106628870
                   +2 :               0.00000430962885
             11 vec=    10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001101497880
                2s
                   +0 :               0.00009437850037
                3s
                   +0 :              -0.00000467254436
                2p
                   -1 :               0.00005075702294
                   +0 :              -0.00005238063461
                   +1 :              -0.00005558966741
                3p
                   -1 :               0.00000208090472
                   +0 :              -0.00000498256216
                   +1 :               0.00004339070628
                3d
                   -2 :              -0.00000713714459
                   -1 :              -0.00000815025995
                   +0 :               0.00000706402707
                   +1 :              -0.00000317564119
                   +2 :               0.00000671508946
             12 vec=    10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001279469440
                2s
                   +0 :              -0.00008486074717
                3s
                   +0 :               0.00005490919045
                2p
                   -1 :               0.00011165440879
                   +0 :              -0.00005564157171
                   +1 :               0.00011872771140
                3p
                   -1 :              -0.00006793072400
                   +0 :               0.00010206940064
                   +1 :              -0.00005731499305
                3d
                   -2 :               0.00000292211246
                   -1 :              -0.00001012523583
                   +0 :               0.00002153072106
                   +1 :              -0.00000108932522
                   +2 :              -0.00000704136788
             13 vec=    10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002022750082
                2s
                   +0 :               0.00016354824751
                3s
                   +0 :              -0.00003043753190
                2p
                   -1 :              -0.00006329795929
                   +0 :              -0.00009105185725
                   +1 :               0.00005597334489
                3p
                   -1 :               0.00003689168300
                   +0 :              -0.00001137034769
                   +1 :               0.00003523229183
                3d
                   -2 :              -0.00000018368330
                   -1 :              -0.00000422956240
                   +0 :               0.00000187250133
                   +1 :              -0.00000813202078
                   +2 :               0.00001010045725
             14 vec=    10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001338309006
                2s
                   +0 :              -0.00004953308892
                3s
                   +0 :               0.00005138782020
                2p
                   -1 :              -0.00007211434809
                   +0 :               0.00002733584104
                   +1 :               0.00014493533805
                3p
                   -1 :               0.00003114445913
                   +0 :               0.00006283577391
                   +1 :              -0.00002856800870
                3d
                   -2 :               0.00000530251238
                   -1 :              -0.00000260154766
                   +0 :               0.00000710205823
                   +1 :              -0.00000156132424
                   +2 :               0.00000139756859
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 25)  npairs=  15
              1 vec=     2.174296     -4.491580      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00046514445161
                2s
                   +0 :               0.00390724378178
                3s
                   +0 :              -0.00103130549110
                2p
                   -1 :              -0.00181680898864
                   +0 :               0.00385384837279
                   +1 :              -0.00154101039283
                3p
                   -1 :              -0.00016901295440
                   +0 :              -0.00105227248225
                   +1 :               0.00046497601971
                3d
                   -2 :               0.00006863280136
                   -1 :              -0.00013329978117
                   +0 :              -0.00002745348621
                   +1 :              -0.00003060172633
                   +2 :              -0.00010897942894
              2 vec=     2.174296      4.492178      8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00000007861212
                2s
                   +0 :              -0.00039264984191
                3s
                   +0 :              -0.00009224555488
                2p
                   -1 :              -0.00056996937644
                   +0 :              -0.00009891464770
                   +1 :              -0.00400432108436
                3p
                   -1 :              -0.00026853898527
                   +0 :              -0.00101462701423
                   +1 :               0.00274520300694
                3d
                   -2 :              -0.00006003962193
                   -1 :              -0.00009581571865
                   +0 :              -0.00001731988371
                   +1 :               0.00019222000833
                   +2 :              -0.00000173122347
              3 vec=    -5.605867      0.000299      8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00028180278471
                2s
                   +0 :              -0.00216407887895
                3s
                   +0 :               0.00040299905069
                2p
                   -1 :              -0.00221377010395
                   +0 :              -0.00064672413771
                   +1 :               0.00233120472180
                3p
                   -1 :               0.00115995668839
                   +0 :              -0.00090687187671
                   +1 :              -0.00108217549114
                3d
                   -2 :               0.00011647164031
                   -1 :              -0.00008973727354
                   +0 :              -0.00000430658429
                   +1 :              -0.00005047848971
                   +2 :               0.00005581343259
              4 vec=     9.954459      0.000299      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00013688047543
                2s
                   +0 :               0.00119928284499
                3s
                   +0 :              -0.00045066952066
                2p
                   -1 :               0.00007763470961
                   +0 :               0.00029791028811
                   +1 :               0.00059031087730
                3p
                   -1 :              -0.00001674298447
                   +0 :              -0.00014538214577
                   +1 :              -0.00042156126877
                3d
                   -2 :              -0.00000869229041
                   -1 :               0.00000029793958
                   +0 :               0.00001363602306
                   +1 :              -0.00004580976366
                   +2 :              -0.00003339370569
              5 vec=    -5.605867     -8.983459      8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00003666340050
                2s
                   +0 :              -0.00052958274798
                3s
                   +0 :               0.00006049245751
                2p
                   -1 :               0.00012667798315
                   +0 :              -0.00024583346246
                   +1 :               0.00029110604880
                3p
                   -1 :               0.00011284059062
                   +0 :               0.00015057453419
                   +1 :              -0.00019711463361
                3d
                   -2 :              -0.00001778049554
                   -1 :               0.00000594295397
                   +0 :               0.00001162313644
                   +1 :              -0.00000897995236
                   +2 :               0.00001711540553
              6 vec=    -5.605867      8.984057      8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00004382058690
                2s
                   +0 :              -0.00036700137229
                3s
                   +0 :               0.00008407682578
                2p
                   -1 :               0.00005076452170
                   +0 :               0.00002886379010
                   +1 :               0.00020144411484
                3p
                   -1 :              -0.00014945306174
                   +0 :              -0.00013948611289
                   +1 :              -0.00010787465328
                3d
                   -2 :              -0.00000056311628
                   -1 :              -0.00003574151672
                   +0 :               0.00003489731260
                   +1 :              -0.00004384013253
                   +2 :              -0.00001057352708
              7 vec=     9.954459     -8.983459      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00002944216507
                2s
                   +0 :               0.00024494158451
                3s
                   +0 :              -0.00008628051206
                2p
                   -1 :              -0.00016584759240
                   +0 :               0.00019996244957
                   +1 :               0.00020567180462
                3p
                   -1 :               0.00006246317708
                   +0 :              -0.00015206772320
                   +1 :              -0.00012953139951
                3d
                   -2 :              -0.00000155746869
                   -1 :               0.00000574143070
                   +0 :              -0.00001037309141
                   +1 :              -0.00000716847261
                   +2 :              -0.00000938937700
              8 vec=     9.954459      8.984057      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00000616651265
                2s
                   +0 :              -0.00000557958387
                3s
                   +0 :               0.00005418035914
                2p
                   -1 :               0.00005738714696
                   +0 :              -0.00003879678455
                   +1 :              -0.00016578725876
                3p
                   -1 :               0.00000117871791
                   +0 :               0.00010921729721
                   +1 :               0.00019183336531
                3d
                   -2 :              -0.00000406500586
                   -1 :               0.00001454269284
                   +0 :               0.00000655417572
                   +1 :              -0.00000342607803
                   +2 :              -0.00001652031749
              9 vec=     2.174296    -13.475338      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00001711259359
                2s
                   +0 :              -0.00013785246622
                3s
                   +0 :               0.00005696632368
                2p
                   -1 :               0.00006067336465
                   +0 :              -0.00000645036099
                   +1 :              -0.00005545451530
                3p
                   -1 :              -0.00003187091580
                   +0 :               0.00002212216172
                   +1 :               0.00004797212726
                3d
                   -2 :              -0.00000700067761
                   -1 :               0.00000011582089
                   +0 :              -0.00000042700897
                   +1 :              -0.00000385059161
                   +2 :               0.00000285252332
             10 vec=     2.174296     13.475936      8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00003610470310
                2s
                   +0 :               0.00025689926949
                3s
                   +0 :              -0.00009805229705
                2p
                   -1 :               0.00013340429082
                   +0 :               0.00002818955047
                   +1 :              -0.00004988944564
                3p
                   -1 :              -0.00007764158090
                   +0 :               0.00005545266013
                   +1 :               0.00003854788531
                3d
                   -2 :               0.00000769510963
                   -1 :               0.00001098586596
                   +0 :              -0.00000428867969
                   +1 :              -0.00000151846407
                   +2 :               0.00000226800863
             11 vec=   -13.386029     -4.491580      8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00002784614115
                2s
                   +0 :              -0.00022156107190
                3s
                   +0 :               0.00006917818462
                2p
                   -1 :               0.00001909725983
                   +0 :              -0.00013001560121
                   +1 :               0.00029553571409
                3p
                   -1 :               0.00003329589071
                   +0 :               0.00004205434251
                   +1 :              -0.00017594860561
                3d
                   -2 :               0.00000265359253
                   -1 :               0.00000445866380
                   +0 :              -0.00000684272534
                   +1 :              -0.00001201824979
                   +2 :               0.00000918368200
             12 vec=   -13.386029      4.492178      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00002163365017
                2s
                   +0 :               0.00007544326339
                3s
                   +0 :              -0.00009478733752
                2p
                   -1 :              -0.00020200038559
                   +0 :               0.00007831080721
                   +1 :              -0.00000810635502
                3p
                   -1 :               0.00013852319109
                   +0 :              -0.00011878610484
                   +1 :               0.00007657253703
                3d
                   -2 :              -0.00000156519409
                   -1 :               0.00000717599969
                   +0 :              -0.00000518645495
                   +1 :               0.00000861991880
                   +2 :               0.00000317088114
             13 vec=     2.174296     -4.491580    -16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000064243685
                2s
                   +0 :              -0.00002798958662
                3s
                   +0 :              -0.00000999249620
                2p
                   -1 :               0.00000265183937
                   +0 :              -0.00000208473595
                   +1 :              -0.00006886897081
                3p
                   -1 :              -0.00000088364431
                   +0 :               0.00001588349132
                   +1 :               0.00002608525896
                3d
                   -2 :              -0.00000153030309
                   -1 :              -0.00000031079767
                   +0 :              -0.00000983706901
                   +1 :               0.00000506868842
                   +2 :               0.00000409819470
             14 vec=     2.174296      4.492178    -16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000294050588
                2s
                   +0 :               0.00006618469187
                3s
                   +0 :               0.00000846191089
                2p
                   -1 :               0.00005192962038
                   +0 :              -0.00004109251114
                   +1 :              -0.00006083267008
                3p
                   -1 :              -0.00002662727279
                   +0 :              -0.00001037199786
                   +1 :               0.00003788150583
                3d
                   -2 :              -0.00000087548550
                   -1 :               0.00000386306791
                   +0 :              -0.00000018700990
                   +1 :              -0.00000425033661
                   +2 :               0.00000141866056
             15 vec=    -5.605867      0.000299    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000928677203
                2s
                   +0 :              -0.00006696292153
                3s
                   +0 :               0.00001327607260
                2p
                   -1 :               0.00000333494859
                   +0 :              -0.00001411216152
                   +1 :              -0.00001983333669
                3p
                   -1 :              -0.00000319633889
                   +0 :               0.00004390478850
                   +1 :               0.00001608775177
                3d
                   -2 :              -0.00000367272702
                   -1 :               0.00000057894581
                   +0 :              -0.00000411739687
                   +1 :               0.00000095666541
                   +2 :              -0.00000004758354
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 26)  npairs=  15
              1 vec=    -2.592869     -4.491580      8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00035316277648
                2s
                   +0 :              -0.00273264116284
                3s
                   +0 :               0.00052935911270
                2p
                   -1 :               0.00234253490702
                   +0 :              -0.00251372910771
                   +1 :               0.00070587396222
                3p
                   -1 :              -0.00022367993908
                   +0 :               0.00000682711251
                   +1 :              -0.00102966175276
                3d
                   -2 :               0.00008716295670
                   -1 :               0.00019103954923
                   +0 :              -0.00004939459307
                   +1 :              -0.00015049427869
                   +2 :               0.00013611568517
              2 vec=    -2.592869      4.492178      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00013096461490
                2s
                   +0 :               0.00117534404692
                3s
                   +0 :              -0.00024947078920
                2p
                   -1 :              -0.00017417056279
                   +0 :              -0.00004391566734
                   +1 :               0.00083792793257
                3p
                   -1 :               0.00033772067246
                   +0 :               0.00047439016099
                   +1 :              -0.00064516851646
                3d
                   -2 :              -0.00002886167750
                   -1 :               0.00014365992398
                   +0 :               0.00006966566318
                   +1 :               0.00003433365896
                   +2 :               0.00005486617112
              3 vec=     5.187294      0.000299      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00014880195476
                2s
                   +0 :               0.00182067719023
                3s
                   +0 :              -0.00019226430886
                2p
                   -1 :               0.00107163026059
                   +0 :               0.00149559733552
                   +1 :              -0.00001252871177
                3p
                   -1 :               0.00038360520233
                   +0 :              -0.00014854224711
                   +1 :               0.00055055042102
                3d
                   -2 :               0.00006072507383
                   -1 :               0.00009099442440
                   +0 :              -0.00003217053866
                   +1 :               0.00015350212108
                   +2 :              -0.00007932299206
              4 vec=   -10.373032      0.000299      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00001713324685
                2s
                   +0 :              -0.00044631942049
                3s
                   +0 :              -0.00006100817674
                2p
                   -1 :              -0.00042984647931
                   +0 :              -0.00052043565751
                   +1 :               0.00050663178442
                3p
                   -1 :               0.00024418265056
                   +0 :               0.00037451557380
                   +1 :              -0.00024174963173
                3d
                   -2 :              -0.00002703259513
                   -1 :              -0.00000315089581
                   +0 :               0.00006549544187
                   +1 :              -0.00002570230097
                   +2 :               0.00000394582008
              5 vec=     5.187294     -8.983459      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000705907745
                2s
                   +0 :               0.00008571213801
                3s
                   +0 :               0.00005279015566
                2p
                   -1 :               0.00005533183156
                   +0 :              -0.00019579610331
                   +1 :              -0.00015776236384
                3p
                   -1 :              -0.00006718325947
                   +0 :               0.00013408723331
                   +1 :               0.00012962799021
                3d
                   -2 :               0.00000325726241
                   -1 :              -0.00001747206033
                   +0 :               0.00001488383688
                   +1 :              -0.00001335922568
                   +2 :              -0.00002260638072
              6 vec=     5.187294      8.984057      8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00004424729948
                2s
                   +0 :              -0.00002591903609
                3s
                   +0 :               0.00003857132361
                2p
                   -1 :              -0.00029376379515
                   +0 :               0.00010894279109
                   +1 :               0.00060440616341
                3p
                   -1 :               0.00021364663289
                   +0 :               0.00012176961937
                   +1 :              -0.00054957683162
                3d
                   -2 :              -0.00005474019308
                   -1 :              -0.00002364785652
                   +0 :               0.00002097487330
                   +1 :              -0.00000042389265
                   +2 :               0.00003011024399
              7 vec=   -10.373032     -8.983459      8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00001128973673
                2s
                   +0 :               0.00004035983500
                3s
                   +0 :              -0.00005851388644
                2p
                   -1 :               0.00003879210198
                   +0 :              -0.00006635821948
                   +1 :               0.00001119262930
                3p
                   -1 :              -0.00001354812590
                   +0 :               0.00004340482824
                   +1 :               0.00003042647341
                3d
                   -2 :              -0.00000647231817
                   -1 :              -0.00000145581627
                   +0 :               0.00000459604755
                   +1 :              -0.00000488823968
                   +2 :              -0.00000382982332
              8 vec=    -2.592869    -13.475338      8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00000796816726
                2s
                   +0 :              -0.00004575641706
                3s
                   +0 :               0.00003158977245
                2p
                   -1 :               0.00005966890807
                   +0 :               0.00002018453756
                   +1 :              -0.00000237334557
                3p
                   -1 :              -0.00006274719929
                   +0 :              -0.00003467849556
                   +1 :              -0.00001998178753
                3d
                   -2 :               0.00000370906847
                   -1 :               0.00000384574889
                   +0 :              -0.00000477318487
                   +1 :               0.00000722495081
                   +2 :               0.00000211590821
              9 vec=   -10.373032      8.984057      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002810496423
                2s
                   +0 :              -0.00020740519181
                3s
                   +0 :               0.00008157593048
                2p
                   -1 :              -0.00007911020776
                   +0 :              -0.00011972567727
                   +1 :               0.00014159233500
                3p
                   -1 :               0.00000524980081
                   +0 :               0.00007752851067
                   +1 :              -0.00009495902241
                3d
                   -2 :              -0.00000963023422
                   -1 :              -0.00000389693533
                   +0 :              -0.00000895448185
                   +1 :              -0.00001529452889
                   +2 :              -0.00002183676099
             10 vec=    -2.592869     13.475936      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000790127863
                2s
                   +0 :              -0.00006477359526
                3s
                   +0 :               0.00003645703153
                2p
                   -1 :               0.00002989757726
                   +0 :              -0.00009717386747
                   +1 :              -0.00012143459802
                3p
                   -1 :              -0.00003605625584
                   +0 :               0.00005396140345
                   +1 :               0.00006006736929
                3d
                   -2 :               0.00001102812825
                   -1 :               0.00001073126211
                   +0 :               0.00000777211980
                   +1 :               0.00000460444395
                   +2 :               0.00000063916973
             11 vec=    12.967456     -4.491580      8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00000415875805
                2s
                   +0 :               0.00004618915239
                3s
                   +0 :               0.00002682794067
                2p
                   -1 :              -0.00003216198561
                   +0 :               0.00025218034932
                   +1 :               0.00000222853982
                3p
                   -1 :              -0.00001517246324
                   +0 :              -0.00011688780289
                   +1 :               0.00003732774804
                3d
                   -2 :               0.00000227093828
                   -1 :              -0.00000970242888
                   +0 :               0.00000576551894
                   +1 :              -0.00000212341597
                   +2 :              -0.00000097348529
             12 vec=    12.967456      4.492178      8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00000550407810
                2s
                   +0 :              -0.00001339918923
                3s
                   +0 :               0.00004193083188
                2p
                   -1 :               0.00012792395724
                   +0 :               0.00034245876935
                   +1 :              -0.00018386571582
                3p
                   -1 :              -0.00007483838720
                   +0 :              -0.00022661701928
                   +1 :               0.00021024407709
                3d
                   -2 :              -0.00000303135147
                   -1 :              -0.00001978629960
                   +0 :              -0.00002569927691
                   +1 :               0.00000766209024
                   +2 :               0.00002332217104
             13 vec=    -2.592869     -4.491580    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000630725962
                2s
                   +0 :              -0.00002329426114
                3s
                   +0 :               0.00002566570121
                2p
                   -1 :               0.00008229696703
                   +0 :               0.00000220250270
                   +1 :              -0.00000838224484
                3p
                   -1 :              -0.00005294212776
                   +0 :              -0.00002063087317
                   +1 :              -0.00003124432192
                3d
                   -2 :               0.00000085576400
                   -1 :              -0.00000102916475
                   +0 :              -0.00000145065478
                   +1 :               0.00000676463077
                   +2 :               0.00000081127873
             14 vec=    -2.592869      4.492178    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001464019959
                2s
                   +0 :              -0.00009678804474
                3s
                   +0 :               0.00003856067768
                2p
                   -1 :              -0.00001930585241
                   +0 :               0.00003306607371
                   +1 :               0.00000150369696
                3p
                   -1 :              -0.00001379246065
                   +0 :               0.00000518412278
                   +1 :              -0.00001582410853
                3d
                   -2 :               0.00000228056423
                   -1 :               0.00000402372337
                   +0 :              -0.00000256303190
                   +1 :               0.00000036566172
                   +2 :               0.00000626274485
             15 vec=     5.187294      0.000299    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000928228192
                2s
                   +0 :              -0.00006371803042
                3s
                   +0 :               0.00003529473323
                2p
                   -1 :               0.00004443905957
                   +0 :               0.00004951507073
                   +1 :               0.00000710674599
                3p
                   -1 :              -0.00003265847113
                   +0 :              -0.00004679641565
                   +1 :              -0.00000756538545
                3d
                   -2 :               0.00000227950051
                   -1 :               0.00000077191070
                   +0 :               0.00000064871878
                   +1 :               0.00000084613980
                   +2 :               0.00000245234145
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 27)  npairs=  14
              1 vec=    -0.209286     -0.363094      8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00033799406857
                2s
                   +0 :              -0.00204634749435
                3s
                   +0 :               0.00064714293606
                2p
                   -1 :               0.00071694776592
                   +0 :              -0.00197677984953
                   +1 :              -0.00351920971649
                3p
                   -1 :              -0.00049582511306
                   +0 :               0.00085670840595
                   +1 :               0.00185049522060
                3d
                   -2 :              -0.00011131741849
                   -1 :               0.00000464667518
                   +0 :              -0.00009801504438
                   +1 :               0.00009500973739
                   +2 :              -0.00004795668322
              2 vec=    -0.209286      8.620664      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00006902967518
                2s
                   +0 :              -0.00050101686096
                3s
                   +0 :               0.00027903460677
                2p
                   -1 :              -0.00037778441198
                   +0 :              -0.00011128568836
                   +1 :               0.00014304450780
                3p
                   -1 :               0.00034135401634
                   +0 :               0.00012077449534
                   +1 :              -0.00044294346018
                3d
                   -2 :              -0.00007276619118
                   -1 :               0.00001591111285
                   +0 :              -0.00001947134305
                   +1 :              -0.00005434785744
                   +2 :              -0.00001312821039
              3 vec=     7.570876      4.128785      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00011357575390
                2s
                   +0 :              -0.00054951645598
                3s
                   +0 :               0.00028713860396
                2p
                   -1 :               0.00098183119750
                   +0 :              -0.00042988692722
                   +1 :               0.00121651983490
                3p
                   -1 :              -0.00072080764803
                   +0 :               0.00026402329457
                   +1 :              -0.00115853035056
                3d
                   -2 :              -0.00005843561328
                   -1 :               0.00003103579270
                   +0 :               0.00002528032466
                   +1 :              -0.00009480117212
                   +2 :              -0.00008850731409
              4 vec=    -7.989449      4.128785      8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00028030902045
                2s
                   +0 :               0.00143610605587
                3s
                   +0 :              -0.00101953725836
                2p
                   -1 :               0.00160377243545
                   +0 :               0.00081673671643
                   +1 :              -0.00017953816610
                3p
                   -1 :              -0.00158879471627
                   +0 :              -0.00074569825688
                   +1 :               0.00030709866798
                3d
                   -2 :               0.00010803181281
                   -1 :              -0.00017389962433
                   +0 :              -0.00006636269835
                   +1 :               0.00008877851828
                   +2 :               0.00004905819312
              5 vec=     7.570876     -4.854973      8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00012258745700
                2s
                   +0 :               0.00121018460430
                3s
                   +0 :              -0.00026594328535
                2p
                   -1 :              -0.00085871023807
                   +0 :               0.00055494745999
                   +1 :               0.00071805427542
                3p
                   -1 :               0.00032914455663
                   +0 :              -0.00007844073943
                   +1 :              -0.00044352620440
                3d
                   -2 :              -0.00001081000116
                   -1 :               0.00000294607462
                   +0 :               0.00002988726609
                   +1 :              -0.00002099701845
                   +2 :              -0.00001038482364
              6 vec=    -7.989449     -4.854973      8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00003810523950
                2s
                   +0 :              -0.00067069285956
                3s
                   +0 :               0.00007283702386
                2p
                   -1 :               0.00055720274494
                   +0 :              -0.00060659088056
                   +1 :               0.00011089718452
                3p
                   -1 :              -0.00028369265586
                   +0 :               0.00016309961066
                   +1 :               0.00004041490681
                3d
                   -2 :               0.00003025810280
                   -1 :              -0.00000910424710
                   +0 :              -0.00003999166887
                   +1 :               0.00001336270127
                   +2 :              -0.00000507954622
              7 vec=    -0.209286     -9.346852      8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00003630414630
                2s
                   +0 :              -0.00018263805649
                3s
                   +0 :               0.00012111900822
                2p
                   -1 :              -0.00028585608646
                   +0 :              -0.00008105891706
                   +1 :              -0.00049084988605
                3p
                   -1 :               0.00023814790113
                   +0 :               0.00008295399543
                   +1 :               0.00022681805724
                3d
                   -2 :               0.00000543982808
                   -1 :              -0.00000148438043
                   +0 :               0.00000560900527
                   +1 :               0.00001632901914
                   +2 :               0.00001176467265
              8 vec=    -0.209286     -0.363094    -16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00001187858113
                2s
                   +0 :              -0.00006163324049
                3s
                   +0 :               0.00003119704291
                2p
                   -1 :              -0.00004662317780
                   +0 :              -0.00003220036984
                   +1 :              -0.00002283215137
                3p
                   -1 :               0.00004168224186
                   +0 :               0.00003425848366
                   +1 :               0.00000226706578
                3d
                   -2 :               0.00000344224175
                   -1 :              -0.00000195566451
                   +0 :              -0.00000153883952
                   +1 :              -0.00000079062391
                   +2 :              -0.00000313220008
              9 vec=     7.570876     13.112543      8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00001824007068
                2s
                   +0 :              -0.00010590064867
                3s
                   +0 :               0.00009513539657
                2p
                   -1 :              -0.00004004802588
                   +0 :               0.00003225437168
                   +1 :               0.00005772377248
                3p
                   -1 :               0.00005397125148
                   +0 :              -0.00000150623424
                   +1 :              -0.00003427579393
                3d
                   -2 :              -0.00000320944778
                   -1 :               0.00000077687287
                   +0 :              -0.00000273302783
                   +1 :              -0.00000531789717
                   +2 :              -0.00000472215411
             10 vec=    -7.989449     13.112543      8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000795103286
                2s
                   +0 :              -0.00005688533797
                3s
                   +0 :               0.00001930983094
                2p
                   -1 :              -0.00017220029140
                   +0 :               0.00003285056947
                   +1 :              -0.00010650373956
                3p
                   -1 :               0.00011975186000
                   +0 :              -0.00004011072042
                   +1 :               0.00010310069433
                3d
                   -2 :               0.00001341902978
                   -1 :              -0.00000852763235
                   +0 :               0.00000420075287
                   +1 :               0.00001428912292
                   +2 :              -0.00001000174066
             11 vec=    15.351039     -0.363094      8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00000061239601
                2s
                   +0 :               0.00006524067663
                3s
                   +0 :               0.00001916352503
                2p
                   -1 :               0.00006242981987
                   +0 :               0.00009479255772
                   +1 :               0.00000544004985
                3p
                   -1 :              -0.00003278779740
                   +0 :               0.00000328870130
                   +1 :               0.00008544473777
                3d
                   -2 :               0.00000210889686
                   -1 :               0.00000602587531
                   +0 :              -0.00000429742410
                   +1 :               0.00000201005149
                   +2 :               0.00001096215679
             12 vec=   -15.769612     -0.363094      8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00000374696330
                2s
                   +0 :              -0.00002667867542
                3s
                   +0 :              -0.00002121541099
                2p
                   -1 :               0.00009806908347
                   +0 :               0.00007360194245
                   +1 :              -0.00002873543344
                3p
                   -1 :              -0.00009191049961
                   +0 :              -0.00008785009437
                   +1 :               0.00007006257380
                3d
                   -2 :               0.00000798661675
                   -1 :              -0.00000491439127
                   +0 :              -0.00000966388045
                   +1 :               0.00000726529923
                   +2 :              -0.00000735191212
             13 vec=     7.570876    -13.838731      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00001959721924
                2s
                   +0 :               0.00013381647346
                3s
                   +0 :              -0.00004428910032
                2p
                   -1 :              -0.00006512652809
                   +0 :               0.00003567507384
                   +1 :               0.00000427427721
                3p
                   -1 :               0.00001193437050
                   +0 :               0.00001384401169
                   +1 :              -0.00001875001554
                3d
                   -2 :               0.00000155907056
                   -1 :              -0.00000029594664
                   +0 :               0.00000459570655
                   +1 :              -0.00000211475028
                   +2 :               0.00000003889856
             14 vec=    -7.989449    -13.838731      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000946884181
                2s
                   +0 :              -0.00008404628472
                3s
                   +0 :               0.00002267975350
                2p
                   -1 :               0.00008081923166
                   +0 :              -0.00005587305610
                   +1 :              -0.00001003001207
                3p
                   -1 :              -0.00002112769077
                   +0 :               0.00002862081762
                   +1 :               0.00001157146187
                3d
                   -2 :               0.00000024367655
                   -1 :              -0.00000133604016
                   +0 :               0.00000072528639
                   +1 :               0.00000160804197
                   +2 :               0.00000071441386
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 28)  npairs=  14
              1 vec=    -2.593388     -1.738956     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00221856729993
                2s
                   +0 :              -0.03993497859741
                3s
                   +0 :               0.00470183716789
                2p
                   -1 :               0.00817621954406
                   +0 :               0.02080041213705
                   +1 :               0.01585581336047
                3p
                   -1 :               0.00077378379911
                   +0 :               0.00031112489669
                   +1 :              -0.00755299537667
                3d
                   -2 :              -0.00054820569195
                   -1 :              -0.00175772405861
                   +0 :              -0.00132294985003
                   +1 :              -0.00046084455064
                   +2 :               0.00046121642698
              2 vec=     5.186775      2.752923     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00120848423889
                2s
                   +0 :               0.00715532704446
                3s
                   +0 :              -0.00405483515823
                2p
                   -1 :               0.00243445020278
                   +0 :               0.00035477580371
                   +1 :               0.00795882863987
                3p
                   -1 :              -0.00181843155903
                   +0 :              -0.00103657815695
                   +1 :              -0.00659669748181
                3d
                   -2 :              -0.00037933257615
                   -1 :               0.00009930164014
                   +0 :               0.00024590436156
                   +1 :               0.00021456267633
                   +2 :              -0.00016996543729
              3 vec=    -2.593388      7.244802     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00020705232185
                2s
                   +0 :               0.00144787220745
                3s
                   +0 :              -0.00060984943863
                2p
                   -1 :               0.00126256562757
                   +0 :               0.00219188286647
                   +1 :               0.00006878092292
                3p
                   -1 :              -0.00070502602928
                   +0 :              -0.00088929083117
                   +1 :              -0.00056168425362
                3d
                   -2 :              -0.00013531568463
                   -1 :               0.00012342106366
                   +0 :              -0.00008936002027
                   +1 :               0.00010907819229
                   +2 :               0.00002897852340
              4 vec=     5.186775     -6.230835     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00010767909948
                2s
                   +0 :               0.00061119392307
                3s
                   +0 :              -0.00022656975232
                2p
                   -1 :              -0.00240495127449
                   +0 :              -0.00108255988137
                   +1 :               0.00158550181849
                3p
                   -1 :               0.00188472092381
                   +0 :               0.00099823769485
                   +1 :              -0.00111190417117
                3d
                   -2 :               0.00007568850785
                   -1 :              -0.00007856761923
                   +0 :               0.00001310899552
                   +1 :               0.00001189270333
                   +2 :               0.00002054618884
              5 vec=   -10.373550      2.752923     -4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00012887101979
                2s
                   +0 :              -0.00125315091566
                3s
                   +0 :               0.00048521323532
                2p
                   -1 :              -0.00067556568978
                   +0 :               0.00003566215922
                   +1 :               0.00133436068291
                3p
                   -1 :               0.00057861234555
                   +0 :               0.00020913663093
                   +1 :              -0.00085866115372
                3d
                   -2 :              -0.00007751729404
                   -1 :              -0.00005877199360
                   +0 :              -0.00001253055501
                   +1 :              -0.00008988231172
                   +2 :              -0.00000058127948
              6 vec=    -2.593388    -10.722714     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00002050451152
                2s
                   +0 :              -0.00008116775074
                3s
                   +0 :              -0.00004960139481
                2p
                   -1 :              -0.00002358502660
                   +0 :              -0.00040338030961
                   +1 :              -0.00023369614139
                3p
                   -1 :               0.00023123069797
                   +0 :               0.00039334587825
                   +1 :               0.00009195245828
                3d
                   -2 :              -0.00003292677417
                   -1 :              -0.00002758595485
                   +0 :               0.00006604877257
                   +1 :               0.00003101810790
                   +2 :               0.00004261292810
              7 vec=   -10.373550     -6.230835     -4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00003289747239
                2s
                   +0 :              -0.00067889768132
                3s
                   +0 :               0.00008727180012
                2p
                   -1 :              -0.00033350129383
                   +0 :               0.00018320695112
                   +1 :               0.00037729706124
                3p
                   -1 :               0.00023519221119
                   +0 :              -0.00007485083016
                   +1 :              -0.00017955860898
                3d
                   -2 :              -0.00002470725430
                   -1 :               0.00002169474359
                   +0 :              -0.00001208123049
                   +1 :              -0.00001049919655
                   +2 :               0.00001236580648
              8 vec=     5.186775     11.736681     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00001710172740
                2s
                   +0 :               0.00010988420537
                3s
                   +0 :               0.00007616741612
                2p
                   -1 :               0.00031579422141
                   +0 :              -0.00024297810842
                   +1 :              -0.00055777047960
                3p
                   -1 :              -0.00030722238485
                   +0 :              -0.00000071512890
                   +1 :               0.00039992989309
                3d
                   -2 :               0.00000796346566
                   -1 :              -0.00002179995579
                   +0 :              -0.00000321600699
                   +1 :               0.00001405923880
                   +2 :               0.00002915121184
              9 vec=    12.966938     -1.738956     -4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00003854107872
                2s
                   +0 :               0.00065120417946
                3s
                   +0 :               0.00000053511767
                2p
                   -1 :               0.00011331060939
                   +0 :              -0.00038981389414
                   +1 :              -0.00012909018462
                3p
                   -1 :              -0.00023612398120
                   +0 :              -0.00003681466364
                   +1 :               0.00023130972248
                3d
                   -2 :              -0.00000400975965
                   -1 :               0.00003529749149
                   +0 :               0.00002427143365
                   +1 :              -0.00000021317501
                   +2 :              -0.00000564605533
             10 vec=    12.966938      7.244802     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00003205738452
                2s
                   +0 :               0.00023112836815
                3s
                   +0 :              -0.00005015634120
                2p
                   -1 :               0.00006361180705
                   +0 :              -0.00008305317153
                   +1 :               0.00019807121407
                3p
                   -1 :               0.00001346001834
                   +0 :               0.00004952254387
                   +1 :              -0.00009310570588
                3d
                   -2 :               0.00000776553611
                   -1 :               0.00000382023414
                   +0 :               0.00000683796607
                   +1 :               0.00000065936728
                   +2 :              -0.00000779845813
             11 vec=   -10.373550     11.736681     -4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00000714063177
                2s
                   +0 :              -0.00011159602911
                3s
                   +0 :               0.00003717256744
                2p
                   -1 :              -0.00010275113224
                   +0 :               0.00008608717396
                   +1 :               0.00006222378983
                3p
                   -1 :               0.00002183165874
                   +0 :              -0.00005255092879
                   +1 :              -0.00001712359436
                3d
                   -2 :               0.00000011743760
                   -1 :              -0.00001027209110
                   +0 :               0.00001390146553
                   +1 :               0.00000694969060
                   +2 :               0.00000403796414
             12 vec=     5.186775    -15.214593     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00001441988631
                2s
                   +0 :               0.00009598285866
                3s
                   +0 :              -0.00003160955496
                2p
                   -1 :              -0.00005049811737
                   +0 :               0.00004120774515
                   +1 :              -0.00003572321336
                3p
                   -1 :              -0.00000595726961
                   +0 :              -0.00006343237522
                   +1 :               0.00002304373218
                3d
                   -2 :               0.00000119101071
                   -1 :               0.00000365773115
                   +0 :               0.00000150214815
                   +1 :               0.00000413287853
                   +2 :               0.00000331727837
             13 vec=    -2.593388     16.228560     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00000361332931
                2s
                   +0 :              -0.00002236562057
                3s
                   +0 :               0.00002021235708
                2p
                   -1 :              -0.00001176764376
                   +0 :               0.00004335667893
                   +1 :              -0.00002242268101
                3p
                   -1 :               0.00001136796372
                   +0 :              -0.00003122306761
                   +1 :               0.00001110894238
                3d
                   -2 :               0.00000550771536
                   -1 :               0.00000238871926
                   +0 :              -0.00000285431651
                   +1 :               0.00000188844211
                   +2 :               0.00000027195754
             14 vec=    12.966938    -10.722714     -4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00000637457820
                2s
                   +0 :               0.00007075448448
                3s
                   +0 :              -0.00000323886441
                2p
                   -1 :              -0.00005599601997
                   +0 :              -0.00000787518769
                   +1 :              -0.00009047678267
                3p
                   -1 :               0.00000651405268
                   +0 :              -0.00002657170160
                   +1 :               0.00012470540224
                3d
                   -2 :              -0.00000638890760
                   -1 :              -0.00000310098872
                   +0 :               0.00000380799509
                   +1 :              -0.00000207048281
                   +2 :               0.00000344855882
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 29)  npairs=  14
              1 vec=     2.174815     -1.738956     -4.091257   |vec|=    4.948957
                1s
                   +0 :              -0.00105599826912
                2s
                   +0 :               0.03846218018564
                3s
                   +0 :              -0.00175667234313
                2p
                   -1 :              -0.00855073847647
                   +0 :              -0.02804106900575
                   +1 :               0.00258363219704
                3p
                   -1 :              -0.00107877458166
                   +0 :               0.00577829872587
                   +1 :               0.00143698457254
                3d
                   -2 :              -0.00081098663541
                   -1 :               0.00060510922946
                   +0 :               0.00074454536244
                   +1 :               0.00008566553477
                   +2 :              -0.00041358253483
              2 vec=    -5.605348      2.752923     -4.091257   |vec|=    7.465715
                1s
                   +0 :              -0.00012863253742
                2s
                   +0 :               0.00046793430618
                3s
                   +0 :              -0.00034506397910
                2p
                   -1 :              -0.00487425028789
                   +0 :              -0.00328431969856
                   +1 :               0.00192772739051
                3p
                   -1 :               0.00355994967902
                   +0 :               0.00418918791391
                   +1 :              -0.00021957271918
                3d
                   -2 :              -0.00024887736085
                   -1 :              -0.00005907454929
                   +0 :              -0.00032022746524
                   +1 :               0.00035468117893
                   +2 :               0.00012500534186
              3 vec=     2.174815      7.244802     -4.091257   |vec|=    8.599730
                1s
                   +0 :              -0.00042365756223
                2s
                   +0 :               0.00250724933811
                3s
                   +0 :              -0.00128233740969
                2p
                   -1 :               0.00177441545118
                   +0 :              -0.00430232989977
                   +1 :              -0.00062640776373
                3p
                   -1 :              -0.00137196314550
                   +0 :               0.00165959183481
                   +1 :               0.00002331170878
                3d
                   -2 :              -0.00003687424387
                   -1 :               0.00023525654068
                   +0 :               0.00022532277609
                   +1 :               0.00019713198872
                   +2 :               0.00018006273682
              4 vec=    -5.605348     -6.230835     -4.091257   |vec|=    9.326393
                1s
                   +0 :               0.00026084281942
                2s
                   +0 :              -0.00164129215723
                3s
                   +0 :               0.00036167054253
                2p
                   -1 :               0.00036192266068
                   +0 :               0.00118305413141
                   +1 :              -0.00090311706680
                3p
                   -1 :               0.00022671009012
                   +0 :              -0.00064772894622
                   +1 :               0.00139230762292
                3d
                   -2 :              -0.00003046963675
                   -1 :               0.00010735572611
                   +0 :              -0.00001766590916
                   +1 :              -0.00002313633371
                   +2 :              -0.00002569160124
              5 vec=     9.954977      2.752923     -4.091257   |vec|=   11.109390
                1s
                   +0 :               0.00017224170150
                2s
                   +0 :              -0.00038205185999
                3s
                   +0 :               0.00049327518688
                2p
                   -1 :              -0.00032643883485
                   +0 :              -0.00087662750015
                   +1 :               0.00078759573240
                3p
                   -1 :               0.00054677596986
                   +0 :               0.00021499366813
                   +1 :              -0.00031012551806
                3d
                   -2 :               0.00001012543217
                   -1 :               0.00000012482144
                   +0 :               0.00010185109179
                   +1 :              -0.00001739723353
                   +2 :              -0.00005660370058
              6 vec=     2.174815    -10.722714     -4.091257   |vec|=   11.680959
                1s
                   +0 :               0.00007029047723
                2s
                   +0 :              -0.00031598330906
                3s
                   +0 :               0.00012437887332
                2p
                   -1 :               0.00035023746309
                   +0 :               0.00015539523932
                   +1 :               0.00021643009066
                3p
                   -1 :              -0.00036378449582
                   +0 :              -0.00013972290784
                   +1 :              -0.00031186895744
                3d
                   -2 :               0.00003451404348
                   -1 :              -0.00003744498289
                   +0 :              -0.00002423420071
                   +1 :               0.00002799193615
                   +2 :               0.00002137610606
              7 vec=     9.954977     -6.230835     -4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00000099160676
                2s
                   +0 :               0.00044257342994
                3s
                   +0 :               0.00009480769055
                2p
                   -1 :              -0.00025268107967
                   +0 :              -0.00065319528042
                   +1 :               0.00033567694029
                3p
                   -1 :               0.00018278489990
                   +0 :               0.00045525395337
                   +1 :              -0.00014193664561
                3d
                   -2 :               0.00001088781504
                   -1 :              -0.00003021901380
                   +0 :              -0.00003325190055
                   +1 :               0.00005179914163
                   +2 :               0.00001699901246
              8 vec=    -5.605348     11.736681     -4.091257   |vec|=   13.634808
                1s
                   +0 :              -0.00003707398121
                2s
                   +0 :               0.00000080206716
                3s
                   +0 :              -0.00013212394790
                2p
                   -1 :               0.00021014559863
                   +0 :               0.00051577894160
                   +1 :              -0.00016468760807
                3p
                   -1 :              -0.00024100643377
                   +0 :              -0.00018915290437
                   +1 :              -0.00002925086858
                3d
                   -2 :              -0.00002043203267
                   -1 :               0.00001619631851
                   +0 :              -0.00001286779138
                   +1 :               0.00002505299258
                   +2 :               0.00000644352292
              9 vec=   -13.385510     -1.738956     -4.091257   |vec|=   14.104405
                1s
                   +0 :               0.00008799245733
                2s
                   +0 :              -0.00080773586685
                3s
                   +0 :               0.00020533799233
                2p
                   -1 :               0.00035368076014
                   +0 :               0.00022702802065
                   +1 :               0.00031194047093
                3p
                   -1 :              -0.00020167945751
                   +0 :              -0.00000931773323
                   +1 :              -0.00013969611454
                3d
                   -2 :               0.00001779225705
                   -1 :               0.00001316698826
                   +0 :              -0.00001307466633
                   +1 :               0.00000562522027
                   +2 :               0.00002457987427
             10 vec=   -13.385510      7.244802     -4.091257   |vec|=   15.760629
                1s
                   +0 :               0.00000705103649
                2s
                   +0 :              -0.00008181410489
                3s
                   +0 :               0.00001173553044
                2p
                   -1 :              -0.00013254137850
                   +0 :               0.00009305119960
                   +1 :              -0.00002692936921
                3p
                   -1 :               0.00009494319281
                   +0 :              -0.00002176025961
                   +1 :               0.00003529093820
                3d
                   -2 :               0.00000814649771
                   -1 :              -0.00000943950697
                   +0 :              -0.00000028086436
                   +1 :              -0.00000081575816
                   +2 :              -0.00000948001540
             11 vec=     9.954977     11.736681     -4.091257   |vec|=   15.924498
                1s
                   +0 :              -0.00006615520019
                2s
                   +0 :               0.00041611650882
                3s
                   +0 :              -0.00018886908473
                2p
                   -1 :               0.00014962512717
                   +0 :              -0.00016632465972
                   +1 :               0.00013592101215
                3p
                   -1 :              -0.00003933729183
                   +0 :               0.00010675445407
                   +1 :              -0.00009559747942
                3d
                   -2 :               0.00000126714292
                   -1 :               0.00000669880516
                   +0 :              -0.00001136313563
                   +1 :               0.00001356980359
                   +2 :              -0.00000256427555
             12 vec=    -5.605348    -15.214593     -4.091257   |vec|=   16.722504
                1s
                   +0 :               0.00001960476241
                2s
                   +0 :              -0.00013890061451
                3s
                   +0 :               0.00005722073646
                2p
                   -1 :               0.00019657519563
                   +0 :               0.00001857969699
                   +1 :               0.00000789686506
                3p
                   -1 :              -0.00013394488872
                   +0 :              -0.00002283768178
                   +1 :              -0.00002802799501
                3d
                   -2 :               0.00000431265452
                   -1 :              -0.00000073297726
                   +0 :              -0.00000103227320
                   +1 :               0.00000753449080
                   +2 :              -0.00000302499758
             13 vec=     2.174815     16.228560     -4.091257   |vec|=   16.877036
                1s
                   +0 :              -0.00000794219798
                2s
                   +0 :               0.00005110067233
                3s
                   +0 :              -0.00001605583844
                2p
                   -1 :              -0.00004726955784
                   +0 :              -0.00001169288347
                   +1 :              -0.00002630369612
                3p
                   -1 :               0.00006360648626
                   +0 :               0.00000817056613
                   +1 :               0.00003633441984
                3d
                   -2 :              -0.00000322955832
                   -1 :               0.00000569257754
                   +0 :              -0.00000266323719
                   +1 :               0.00000098142825
                   +2 :               0.00000369634086
             14 vec=   -13.385510    -10.722714     -4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00001393838525
                2s
                   +0 :              -0.00010475205017
                3s
                   +0 :               0.00002586249368
                2p
                   -1 :              -0.00000209895098
                   +0 :               0.00002611044688
                   +1 :               0.00009029025470
                3p
                   -1 :               0.00001457042697
                   +0 :               0.00000095963407
                   +1 :              -0.00004051294377
                3d
                   -2 :               0.00000758046122
                   -1 :               0.00000334251693
                   +0 :              -0.00000080097569
                   +1 :              -0.00000295595433
                   +2 :               0.00000055405307
WF             site_B          number of pairs
WF( 29)=[O_8_2px]  to site O ( 30)  npairs=  14
              1 vec=    -0.209286      3.115418     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00239523798247
                2s
                   +0 :              -0.01476120477390
                3s
                   +0 :               0.00569959481346
                2p
                   -1 :              -0.00628034074043
                   +0 :               0.00091161999471
                   +1 :              -0.00300664698112
                3p
                   -1 :               0.00472436310463
                   +0 :               0.00195619709483
                   +1 :              -0.00419736517584
                3d
                   -2 :              -0.00092725312354
                   -1 :              -0.00010020216281
                   +0 :              -0.00085039944839
                   +1 :               0.00139021699992
                   +2 :              -0.00004491081858
              2 vec=    -0.209286     -5.868340     -4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00007914917470
                2s
                   +0 :              -0.00171064152442
                3s
                   +0 :               0.00031872188728
                2p
                   -1 :               0.00421419247857
                   +0 :               0.00077758274251
                   +1 :               0.00261075771354
                3p
                   -1 :              -0.00320226699734
                   +0 :              -0.00024214546888
                   +1 :              -0.00287085589299
                3d
                   -2 :               0.00010896329876
                   -1 :              -0.00001559284231
                   +0 :              -0.00006168870551
                   +1 :               0.00017741412142
                   +2 :              -0.00035115947242
              3 vec=     7.570876     -1.376461     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00020524665863
                2s
                   +0 :               0.00113813164200
                3s
                   +0 :              -0.00033665396054
                2p
                   -1 :              -0.00144804321261
                   +0 :              -0.00389258970434
                   +1 :               0.00125411155096
                3p
                   -1 :               0.00014850144191
                   +0 :               0.00051912938272
                   +1 :              -0.00079370605597
                3d
                   -2 :               0.00006240447312
                   -1 :               0.00014583634459
                   +0 :               0.00021027230824
                   +1 :               0.00005860867416
                   +2 :              -0.00009262909366
              4 vec=    -7.989449     -1.376461     -4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00027722405295
                2s
                   +0 :              -0.00143902418240
                3s
                   +0 :               0.00034900144488
                2p
                   -1 :               0.00197478216041
                   +0 :               0.00247310080445
                   +1 :              -0.00049323912395
                3p
                   -1 :              -0.00135498294596
                   +0 :              -0.00008522334953
                   +1 :               0.00071490092471
                3d
                   -2 :              -0.00006123980626
                   -1 :              -0.00009493904489
                   +0 :              -0.00003950193586
                   +1 :              -0.00018022373547
                   +2 :              -0.00011491514211
              5 vec=     7.570876      7.607297     -4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00022221507473
                2s
                   +0 :              -0.00101472041512
                3s
                   +0 :               0.00070924451362
                2p
                   -1 :              -0.00089630249917
                   +0 :              -0.00067943739369
                   +1 :              -0.00063603305184
                3p
                   -1 :               0.00091848498355
                   +0 :               0.00030313643985
                   +1 :               0.00060698435131
                3d
                   -2 :               0.00002588759733
                   -1 :               0.00003716867912
                   +0 :               0.00004555584899
                   +1 :               0.00003078734034
                   +2 :              -0.00003601053175
              6 vec=    -7.989449      7.607297     -4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00000999714282
                2s
                   +0 :               0.00002401472831
                3s
                   +0 :              -0.00016932330606
                2p
                   -1 :              -0.00019466694524
                   +0 :               0.00054242650082
                   +1 :               0.00025672294045
                3p
                   -1 :              -0.00000473886549
                   +0 :              -0.00044103637605
                   +1 :              -0.00018121832630
                3d
                   -2 :               0.00005963529379
                   -1 :              -0.00001678955119
                   +0 :               0.00007858055883
                   +1 :              -0.00000071628271
                   +2 :               0.00001975541836
              7 vec=    -0.209286     12.099176     -4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00006109501342
                2s
                   +0 :              -0.00026992948489
                3s
                   +0 :               0.00023123898163
                2p
                   -1 :              -0.00032667688449
                   +0 :              -0.00016587892510
                   +1 :               0.00029598618504
                3p
                   -1 :               0.00033267965412
                   +0 :               0.00007468345112
                   +1 :              -0.00019082460905
                3d
                   -2 :               0.00000755159082
                   -1 :              -0.00000784128357
                   +0 :              -0.00000883820095
                   +1 :              -0.00002289351978
                   +2 :               0.00000008845702
              8 vec=     7.570876    -10.360219     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00004825891122
                2s
                   +0 :              -0.00003514216466
                3s
                   +0 :               0.00019253101910
                2p
                   -1 :               0.00040464151626
                   +0 :              -0.00019310034206
                   +1 :               0.00007851632080
                3p
                   -1 :              -0.00042966475807
                   +0 :               0.00001497183346
                   +1 :               0.00002159495320
                3d
                   -2 :              -0.00000538257698
                   -1 :              -0.00002456096939
                   +0 :               0.00002246762708
                   +1 :              -0.00000085027241
                   +2 :              -0.00002934891326
              9 vec=    -7.989449    -10.360219     -4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00004197006520
                2s
                   +0 :              -0.00060959483419
                3s
                   +0 :               0.00008446480891
                2p
                   -1 :               0.00065574242504
                   +0 :               0.00008255547880
                   +1 :               0.00013781577106
                3p
                   -1 :              -0.00042039043026
                   +0 :              -0.00001529378546
                   +1 :              -0.00002350378245
                3d
                   -2 :              -0.00000758031845
                   -1 :               0.00001511690820
                   +0 :              -0.00001547127516
                   +1 :               0.00001692704645
                   +2 :              -0.00003635464654
             10 vec=    -0.209286    -14.852098     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00002295763350
                2s
                   +0 :               0.00013803272498
                3s
                   +0 :              -0.00008247498410
                2p
                   -1 :              -0.00011115877058
                   +0 :              -0.00004861650881
                   +1 :              -0.00005243748581
                3p
                   -1 :               0.00009171633896
                   +0 :               0.00004790135145
                   +1 :              -0.00000046181193
                3d
                   -2 :               0.00000066937048
                   -1 :              -0.00000860211027
                   +0 :              -0.00000114473205
                   +1 :               0.00000761001737
                   +2 :               0.00000357075422
             11 vec=    15.351039      3.115418     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00001427464130
                2s
                   +0 :               0.00013689252830
                3s
                   +0 :               0.00000404509948
                2p
                   -1 :               0.00000823873771
                   +0 :               0.00004413734292
                   +1 :               0.00008770198983
                3p
                   -1 :               0.00005212968101
                   +0 :              -0.00010555888007
                   +1 :               0.00006800685166
                3d
                   -2 :               0.00000062600343
                   -1 :              -0.00000451258423
                   +0 :              -0.00001215267557
                   +1 :              -0.00001123272303
                   +2 :               0.00000948311142
             12 vec=   -15.769612      3.115418     -4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00001116845000
                2s
                   +0 :              -0.00013767507947
                3s
                   +0 :               0.00004198355599
                2p
                   -1 :              -0.00000918655728
                   +0 :              -0.00006877068404
                   +1 :              -0.00000702597153
                3p
                   -1 :              -0.00000652570255
                   +0 :               0.00006990428713
                   +1 :               0.00008994568670
                3d
                   -2 :              -0.00001051142695
                   -1 :              -0.00000517385171
                   +0 :               0.00000280078374
                   +1 :               0.00000942292979
                   +2 :              -0.00001794797359
             13 vec=    15.351039     -5.868340     -4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00002462274248
                2s
                   +0 :               0.00014731082264
                3s
                   +0 :              -0.00005484410221
                2p
                   -1 :               0.00000029955178
                   +0 :               0.00007744691511
                   +1 :               0.00008839013269
                3p
                   -1 :              -0.00002063902228
                   +0 :              -0.00006555994692
                   +1 :              -0.00002489164405
                3d
                   -2 :              -0.00000074924443
                   -1 :               0.00000009704526
                   +0 :               0.00000205231747
                   +1 :               0.00000107014126
                   +2 :               0.00000574468435
             14 vec=   -15.769612     -5.868340     -4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000968607183
                2s
                   +0 :              -0.00009245779286
                3s
                   +0 :               0.00002419484444
                2p
                   -1 :               0.00011317201331
                   +0 :               0.00004481967884
                   +1 :               0.00003503545720
                3p
                   -1 :              -0.00007290616538
                   +0 :              -0.00004541731110
                   +1 :               0.00001889640962
                3d
                   -2 :              -0.00000408125812
                   -1 :               0.00000584169612
                   +0 :               0.00000275175216
                   +1 :               0.00000012505262
                   +2 :              -0.00000178839536
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al(  1)  npairs=  14
              1 vec=     2.593388      1.738956     -5.671791   |vec|=    6.474477
                2s
                   +0 :              -0.00104158509824
                2p
                   -1 :               0.00019062162225
                   +0 :               0.00061051826333
                   +1 :              -0.00061449391042
                3s
                   +0 :               0.00228218780054
                4s
                   +0 :              -0.00057163585926
                3p
                   -1 :              -0.00205777121074
                   +0 :              -0.00361657706168
                   +1 :               0.00218057750201
                4p
                   -1 :               0.00081809041540
                   +0 :               0.00166063531671
                   +1 :               0.00004702251309
                3d
                   -2 :               0.00093266225986
                   -1 :              -0.00180366712371
                   +0 :               0.00149465069331
                   +1 :               0.00033873955451
                   +2 :              -0.00087830920916
              2 vec=    -5.186775     -2.752923     -5.671791   |vec|=    8.163972
                2s
                   +0 :               0.00023326568256
                2p
                   -1 :              -0.00052512339775
                   +0 :              -0.00079484113260
                   +1 :               0.00037810956111
                3s
                   +0 :              -0.00211356315222
                4s
                   +0 :              -0.00089456265853
                3p
                   -1 :               0.00453679203777
                   +0 :               0.00343809887964
                   +1 :              -0.00231558054179
                4p
                   -1 :              -0.00084171172672
                   +0 :              -0.00098506342718
                   +1 :               0.00112075419510
                3d
                   -2 :              -0.00123113221263
                   -1 :              -0.00109593526781
                   +0 :               0.00042974288003
                   +1 :               0.00007095046433
                   +2 :               0.00110800215020
              3 vec=     2.593388     -7.244802     -5.671791   |vec|=    9.559395
                2s
                   +0 :              -0.00032911798677
                2p
                   -1 :              -0.00080690538514
                   +0 :               0.00030007951039
                   +1 :              -0.00041029309106
                3s
                   +0 :              -0.00032987115464
                4s
                   +0 :               0.00043291265001
                3p
                   -1 :               0.00499257699923
                   +0 :              -0.00066172631249
                   +1 :               0.00272419160374
                4p
                   -1 :              -0.00149146931303
                   +0 :               0.00010188435770
                   +1 :              -0.00066465258410
                3d
                   -2 :               0.00035461363471
                   -1 :              -0.00076646392821
                   +0 :              -0.00031552482469
                   +1 :              -0.00048240087755
                   +2 :               0.00066284258690
              4 vec=    -5.186775      6.230835     -5.671791   |vec|=    9.894198
                2s
                   +0 :               0.00206132832089
                2p
                   -1 :               0.00138983857010
                   +0 :              -0.00015208753854
                   +1 :               0.00020874078034
                3s
                   +0 :              -0.00572241952705
                4s
                   +0 :               0.00168531168753
                3p
                   -1 :              -0.00630315615107
                   +0 :              -0.00044607183066
                   +1 :              -0.00124921418907
                4p
                   -1 :               0.00140225709697
                   +0 :               0.00063618809872
                   +1 :               0.00010496850317
                3d
                   -2 :              -0.00024950790615
                   -1 :               0.00049093371762
                   +0 :               0.00066117871707
                   +1 :               0.00033933271294
                   +2 :               0.00109851381487
              5 vec=    10.373550     -2.752923     -5.671791   |vec|=   12.139125
                2s
                   +0 :              -0.00007273354803
                2p
                   -1 :              -0.00003887957800
                   +0 :               0.00012595934916
                   +1 :              -0.00014057616350
                3s
                   +0 :               0.00033985565287
                4s
                   +0 :              -0.00034590300921
                3p
                   -1 :               0.00038654040031
                   +0 :              -0.00014883876941
                   +1 :               0.00107051246935
                4p
                   -1 :              -0.00008649877518
                   +0 :               0.00004349369189
                   +1 :              -0.00045094517027
                3d
                   -2 :               0.00006869075901
                   -1 :              -0.00010260525684
                   +0 :              -0.00008851263441
                   +1 :              -0.00005488970375
                   +2 :               0.00021939322825
              6 vec=     2.593388     10.722714     -5.671791   |vec|=   12.404494
                2s
                   +0 :               0.00016099580286
                2p
                   -1 :               0.00016528084754
                   +0 :              -0.00007284562650
                   +1 :               0.00010284115656
                3s
                   +0 :               0.00002759074692
                4s
                   +0 :               0.00018841864622
                3p
                   -1 :              -0.00010216070338
                   +0 :               0.00015062497420
                   +1 :              -0.00075115639523
                4p
                   -1 :               0.00011642243786
                   +0 :               0.00000137863651
                   +1 :               0.00016614007096
                3d
                   -2 :              -0.00020704585849
                   -1 :               0.00016139415083
                   +0 :              -0.00009576748534
                   +1 :               0.00015120680515
                   +2 :              -0.00000043039013
              7 vec=    10.373550      6.230835     -5.671791   |vec|=   13.364246
                2s
                   +0 :               0.00012815443863
                2p
                   -1 :               0.00001576499971
                   +0 :              -0.00003194125644
                   +1 :               0.00000439675698
                3s
                   +0 :              -0.00041334246805
                4s
                   +0 :               0.00010723799691
                3p
                   -1 :              -0.00017530673363
                   +0 :               0.00010822375119
                   +1 :              -0.00006441013696
                4p
                   -1 :               0.00003305879876
                   +0 :               0.00005397997218
                   +1 :               0.00003161427893
                3d
                   -2 :               0.00001025322879
                   -1 :              -0.00000031312198
                   +0 :               0.00004368282141
                   +1 :               0.00002788058299
                   +2 :               0.00009698970465
              8 vec=    -5.186775    -11.736681     -5.671791   |vec|=   14.029310
                2s
                   +0 :              -0.00040488349716
                2p
                   -1 :               0.00010565002223
                   +0 :               0.00010233183201
                   +1 :               0.00016992548990
                3s
                   +0 :               0.00079277727659
                4s
                   +0 :              -0.00011205754599
                3p
                   -1 :              -0.00018697376929
                   +0 :              -0.00040725808432
                   +1 :              -0.00041710526007
                4p
                   -1 :              -0.00005642351039
                   +0 :               0.00011255569772
                   +1 :               0.00004951184020
                3d
                   -2 :               0.00005098620289
                   -1 :               0.00012709674980
                   +0 :              -0.00000652518802
                   +1 :               0.00016031093601
                   +2 :               0.00000541793379
              9 vec=   -12.966938      1.738956     -5.671791   |vec|=   14.259546
                2s
                   +0 :               0.00007370732233
                2p
                   -1 :               0.00005936419996
                   +0 :              -0.00002243956312
                   +1 :              -0.00002725545515
                3s
                   +0 :              -0.00041409959724
                4s
                   +0 :               0.00023617882807
                3p
                   -1 :              -0.00043745438735
                   +0 :               0.00005079509121
                   +1 :               0.00026366704089
                4p
                   -1 :               0.00012526185033
                   +0 :              -0.00004615288288
                   +1 :              -0.00013798544140
                3d
                   -2 :               0.00005053537879
                   -1 :               0.00003329188772
                   +0 :               0.00007077734822
                   +1 :               0.00004128648080
                   +2 :               0.00009512431072
             10 vec=   -12.966938     -7.244802     -5.671791   |vec|=   15.899618
                2s
                   +0 :              -0.00001808470928
                2p
                   -1 :               0.00003124726116
                   +0 :              -0.00004289453998
                   +1 :               0.00000565980338
                3s
                   +0 :               0.00003281441166
                4s
                   +0 :              -0.00005377652478
                3p
                   -1 :              -0.00013625018868
                   +0 :               0.00026286800297
                   +1 :               0.00001261197940
                4p
                   -1 :               0.00004668028524
                   +0 :              -0.00008325738275
                   +1 :               0.00000639237848
                3d
                   -2 :               0.00000435625543
                   -1 :               0.00002975240615
                   +0 :              -0.00000681838266
                   +1 :              -0.00003980430839
                   +2 :              -0.00002568918832
             11 vec=    10.373550    -11.736681     -5.671791   |vec|=   16.659215
                2s
                   +0 :              -0.00005991168899
                2p
                   -1 :               0.00003697823368
                   +0 :               0.00005709189480
                   +1 :              -0.00005069279993
                3s
                   +0 :               0.00004262218236
                4s
                   +0 :              -0.00000794548673
                3p
                   -1 :              -0.00011953918961
                   +0 :              -0.00026968933974
                   +1 :               0.00015705439710
                4p
                   -1 :               0.00001626464663
                   +0 :               0.00003996825963
                   +1 :              -0.00003561597094
                3d
                   -2 :              -0.00007061131924
                   -1 :               0.00008256656028
                   +0 :               0.00001081171278
                   +1 :              -0.00009101037190
                   +2 :               0.00001766926139
             12 vec=    -5.186775     15.214593     -5.671791   |vec|=   17.045694
                2s
                   +0 :               0.00011706586460
                2p
                   -1 :               0.00008416289889
                   +0 :              -0.00002946033473
                   +1 :               0.00002917943875
                3s
                   +0 :              -0.00031281162657
                4s
                   +0 :               0.00014237488890
                3p
                   -1 :              -0.00040746750981
                   +0 :               0.00011044490316
                   +1 :              -0.00012837667585
                4p
                   -1 :               0.00011114331859
                   +0 :              -0.00002737764386
                   +1 :               0.00002582382801
                3d
                   -2 :              -0.00001384269182
                   -1 :               0.00009034232940
                   +0 :               0.00000497165807
                   +1 :               0.00001547202869
                   +2 :               0.00006176751359
             13 vec=     2.593388    -16.228560     -5.671791   |vec|=   17.385656
                2s
                   +0 :               0.00001738184635
                2p
                   -1 :              -0.00003176813718
                   +0 :               0.00000905741320
                   +1 :               0.00001613616287
                3s
                   +0 :              -0.00012934655674
                4s
                   +0 :               0.00006744418761
                3p
                   -1 :               0.00017539841917
                   +0 :               0.00001440258186
                   +1 :              -0.00009168628812
                4p
                   -1 :              -0.00006371117335
                   +0 :              -0.00002623839403
                   +1 :               0.00002101249109
                3d
                   -2 :               0.00000263721496
                   -1 :              -0.00000828871143
                   +0 :              -0.00002685413583
                   +1 :               0.00000947937005
                   +2 :               0.00001202923576
             14 vec=   -12.966938     10.722714     -5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00001229057736
                2p
                   -1 :              -0.00000039047148
                   +0 :               0.00000858822169
                   +1 :              -0.00000262470218
                3s
                   +0 :               0.00007014989212
                4s
                   +0 :              -0.00002177011377
                3p
                   -1 :               0.00002959827988
                   +0 :              -0.00000246896613
                   +1 :               0.00001868993965
                4p
                   -1 :              -0.00001988693603
                   +0 :              -0.00002427931236
                   +1 :              -0.00001881752640
                3d
                   -2 :               0.00004510188121
                   -1 :               0.00002605085171
                   +0 :               0.00000283659893
                   +1 :               0.00001833538154
                   +2 :               0.00004071727465
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al(  2)  npairs=  14
              1 vec=     2.593388      1.738956      1.580534   |vec|=    3.499674
                2s
                   +0 :               0.02406030637114
                2p
                   -1 :               0.00692498299395
                   +0 :               0.01573037188079
                   +1 :               0.02324854070169
                3s
                   +0 :               0.06821682172486
                4s
                   +0 :               0.00516145192979
                3p
                   -1 :               0.00279391321623
                   +0 :               0.02830776084940
                   +1 :               0.05267390553064
                4p
                   -1 :               0.00332538072141
                   +0 :               0.00719076745472
                   +1 :               0.01149470620936
                3d
                   -2 :               0.01119322398076
                   -1 :               0.00599201616812
                   +0 :               0.00082735295232
                   +1 :               0.03662738569149
                   +2 :               0.03446787067042
              2 vec=    -5.186775     -2.752923      1.580534   |vec|=    6.081062
                2s
                   +0 :               0.00290466915830
                2p
                   -1 :              -0.00110468496518
                   +0 :               0.00005887102438
                   +1 :              -0.00289806114938
                3s
                   +0 :              -0.00756558966701
                4s
                   +0 :               0.00443591938160
                3p
                   -1 :               0.00372775236678
                   +0 :               0.00116147539443
                   +1 :               0.00889763782811
                4p
                   -1 :              -0.00084800024175
                   +0 :              -0.00031014741836
                   +1 :              -0.00382890068460
                3d
                   -2 :              -0.00180204771384
                   -1 :               0.00049002288741
                   +0 :               0.00129915509183
                   +1 :               0.00017750750248
                   +2 :               0.00237573117155
              3 vec=     2.593388     -7.244802      1.580534   |vec|=    7.855629
                2s
                   +0 :               0.00011561908852
                2p
                   -1 :              -0.00050457564236
                   +0 :              -0.00011938360430
                   +1 :               0.00044171594426
                3s
                   +0 :              -0.01281786289706
                4s
                   +0 :               0.00017120030143
                3p
                   -1 :               0.00698063007847
                   +0 :              -0.00787852016807
                   +1 :               0.00392934359386
                4p
                   -1 :              -0.00014209345300
                   +0 :               0.00024127026103
                   +1 :               0.00018504989190
                3d
                   -2 :              -0.00284931157745
                   -1 :               0.00302007339427
                   +0 :              -0.00106586887771
                   +1 :               0.00087405057530
                   +2 :               0.00163451768868
              4 vec=    -5.186775      6.230835      1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00035020770420
                2p
                   -1 :               0.00090175534768
                   +0 :              -0.00005671313042
                   +1 :               0.00003138988823
                3s
                   +0 :               0.00827161483170
                4s
                   +0 :              -0.00087998103512
                3p
                   -1 :              -0.00652544672988
                   +0 :               0.00578005063492
                   +1 :              -0.00563193483076
                4p
                   -1 :               0.00112255673351
                   +0 :              -0.00054523826359
                   +1 :               0.00020151319596
                3d
                   -2 :               0.00180859067769
                   -1 :              -0.00069647487022
                   +0 :               0.00095827917230
                   +1 :              -0.00328756624809
                   +2 :               0.00232947822214
              5 vec=    10.373550     -2.752923      1.580534   |vec|=   10.848374
                2s
                   +0 :              -0.00009662614317
                2p
                   -1 :               0.00014337083409
                   +0 :               0.00019628110584
                   +1 :              -0.00014117196165
                3s
                   +0 :              -0.00117623779500
                4s
                   +0 :               0.00009017663910
                3p
                   -1 :              -0.00132201414456
                   +0 :              -0.00120119636822
                   +1 :              -0.00038220832193
                4p
                   -1 :               0.00007102667580
                   +0 :               0.00006772022060
                   +1 :              -0.00000491371928
                3d
                   -2 :              -0.00030239994927
                   -1 :              -0.00026346932492
                   +0 :              -0.00000637715786
                   +1 :              -0.00023974210385
                   +2 :               0.00036130130779
              6 vec=     2.593388     10.722714      1.580534   |vec|=   11.144521
                2s
                   +0 :              -0.00046281741048
                2p
                   -1 :              -0.00024260224955
                   +0 :              -0.00001392250627
                   +1 :               0.00019323236253
                3s
                   +0 :               0.00345436803869
                4s
                   +0 :              -0.00107961261832
                3p
                   -1 :               0.00269402169063
                   +0 :               0.00087478295945
                   +1 :              -0.00033294469840
                4p
                   -1 :              -0.00063457695041
                   +0 :              -0.00013510055323
                   +1 :               0.00028238044815
                3d
                   -2 :              -0.00034914541495
                   -1 :               0.00041628237350
                   +0 :              -0.00010272132035
                   +1 :               0.00022764381881
                   +2 :              -0.00058147428405
              7 vec=    10.373550      6.230835      1.580534   |vec|=   12.203767
                2s
                   +0 :              -0.00023166078130
                2p
                   -1 :              -0.00010590925314
                   +0 :              -0.00016736481136
                   +1 :              -0.00014288540055
                3s
                   +0 :               0.00062063720220
                4s
                   +0 :              -0.00006968132309
                3p
                   -1 :               0.00071458086639
                   +0 :               0.00079825852418
                   +1 :               0.00053937472675
                4p
                   -1 :              -0.00016920862827
                   +0 :              -0.00010787165770
                   +1 :              -0.00011702916956
                3d
                   -2 :               0.00026743564500
                   -1 :               0.00004503213713
                   +0 :              -0.00011332127823
                   +1 :               0.00012344335639
                   +2 :              -0.00014654967286
              8 vec=    -5.186775    -11.736681      1.580534   |vec|=   12.928666
                2s
                   +0 :               0.00028310691396
                2p
                   -1 :               0.00020975338321
                   +0 :              -0.00014826368020
                   +1 :              -0.00006126406974
                3s
                   +0 :              -0.00254363064710
                4s
                   +0 :               0.00031667690631
                3p
                   -1 :               0.00020526822441
                   +0 :              -0.00085370461430
                   +1 :              -0.00065275955135
                4p
                   -1 :               0.00023563275917
                   +0 :               0.00002729903703
                   +1 :              -0.00006031982201
                3d
                   -2 :               0.00054518149402
                   -1 :               0.00052494628864
                   +0 :              -0.00019928846944
                   +1 :              -0.00042163936196
                   +2 :              -0.00012640044862
              9 vec=   -12.966938      1.738956      1.580534   |vec|=   13.178146
                2s
                   +0 :              -0.00025347492469
                2p
                   -1 :               0.00003622311354
                   +0 :              -0.00007162931998
                   +1 :               0.00002588324500
                3s
                   +0 :               0.00117732874098
                4s
                   +0 :              -0.00010421136056
                3p
                   -1 :               0.00007258713133
                   +0 :               0.00075610517704
                   +1 :              -0.00027609174010
                4p
                   -1 :               0.00006641849999
                   +0 :              -0.00017171916799
                   +1 :              -0.00008823960026
                3d
                   -2 :              -0.00006269466146
                   -1 :               0.00016814165875
                   +0 :               0.00009960455596
                   +1 :              -0.00031869449522
                   +2 :              -0.00004786655499
             10 vec=   -12.966938     -7.244802      1.580534   |vec|=   14.937427
                2s
                   +0 :               0.00013798589827
                2p
                   -1 :              -0.00005376414867
                   +0 :              -0.00001493638056
                   +1 :              -0.00004457944940
                3s
                   +0 :              -0.00081468851869
                4s
                   +0 :               0.00028762044899
                3p
                   -1 :               0.00021668474090
                   +0 :              -0.00005347692493
                   +1 :               0.00051543450178
                4p
                   -1 :              -0.00010083400860
                   +0 :              -0.00001453637167
                   +1 :              -0.00014623973334
                3d
                   -2 :              -0.00003359471842
                   -1 :              -0.00005443538155
                   +0 :              -0.00002362689313
                   +1 :               0.00005634926062
                   +2 :              -0.00002044807735
             11 vec=    10.373550    -11.736681      1.580534   |vec|=   15.743516
                2s
                   +0 :               0.00014124997088
                2p
                   -1 :              -0.00008728278383
                   +0 :               0.00004657613798
                   +1 :               0.00004465564632
                3s
                   +0 :              -0.00046399273602
                4s
                   +0 :               0.00018914414408
                3p
                   -1 :               0.00036291588457
                   +0 :              -0.00030433899332
                   +1 :              -0.00031407230092
                4p
                   -1 :              -0.00006912613831
                   +0 :               0.00008325203393
                   +1 :               0.00008547853189
                3d
                   -2 :               0.00010724917658
                   -1 :               0.00006312523763
                   +0 :               0.00008712787178
                   +1 :              -0.00008713944283
                   +2 :              -0.00005702030767
             12 vec=    -5.186775     15.214593      1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00006452149795
                2p
                   -1 :               0.00001862153954
                   +0 :               0.00001135611200
                   +1 :               0.00003062748904
                3s
                   +0 :               0.00024745652227
                4s
                   +0 :               0.00002070942758
                3p
                   -1 :              -0.00025037744130
                   +0 :               0.00000814813888
                   +1 :              -0.00019805544920
                4p
                   -1 :               0.00013094538742
                   +0 :               0.00001823468183
                   +1 :               0.00004785102204
                3d
                   -2 :              -0.00007070916500
                   -1 :              -0.00000316915057
                   +0 :              -0.00001446068598
                   +1 :              -0.00005115972160
                   +2 :               0.00006250328081
             13 vec=     2.593388    -16.228560      1.580534   |vec|=   16.510297
                2s
                   +0 :               0.00007723612271
                2p
                   -1 :              -0.00001949143617
                   +0 :               0.00002219102890
                   +1 :              -0.00002097183595
                3s
                   +0 :              -0.00039145800959
                4s
                   +0 :               0.00006108220651
                3p
                   -1 :               0.00010871225138
                   +0 :              -0.00020339922837
                   +1 :               0.00009829290323
                4p
                   -1 :              -0.00000726423587
                   +0 :               0.00001583186511
                   +1 :              -0.00000727348718
                3d
                   -2 :              -0.00001269069985
                   -1 :               0.00008635606318
                   +0 :              -0.00001982309753
                   +1 :               0.00004844309448
                   +2 :               0.00000470452582
             14 vec=   -12.966938     10.722714      1.580534   |vec|=   16.900182
                2s
                   +0 :               0.00000962486557
                2p
                   -1 :              -0.00001720946824
                   +0 :               0.00001510220397
                   +1 :              -0.00000328231387
                3s
                   +0 :               0.00015754022261
                4s
                   +0 :              -0.00007281016211
                3p
                   -1 :               0.00018630664191
                   +0 :              -0.00000610922728
                   +1 :              -0.00007706972632
                4p
                   -1 :              -0.00003802112428
                   +0 :               0.00001235337041
                   +1 :               0.00005137759710
                3d
                   -2 :              -0.00003087458043
                   -1 :               0.00003343401132
                   +0 :               0.00000004470793
                   +1 :               0.00001185717891
                   +2 :              -0.00001528798756
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Cr(  3)  npairs=  15
              1 vec=     2.593388      1.738956    -10.693237   |vec|=   11.139791
                3s
                   +0 :              -0.00010847055759
                3p
                   -1 :              -0.00006569404250
                   +0 :              -0.00005255781903
                   +1 :              -0.00022379828486
                4s
                   +0 :              -0.00002582251180
                5s
                   +0 :               0.00004951326072
                3d
                   -2 :              -0.00049219410841
                   -1 :              -0.00035436862735
                   +0 :               0.00022325340953
                   +1 :               0.00013733043341
                   +2 :               0.00092646988929
                4d
                   -2 :               0.00004494150772
                   -1 :              -0.00008065047749
                   +0 :              -0.00018924655252
                   +1 :              -0.00017563065837
                   +2 :              -0.00007255967219
                4p
                   -1 :               0.00031313013710
                   +0 :               0.00013041685167
                   +1 :               0.00035965689797
              2 vec=    -5.186775     -2.752923    -10.693237   |vec|=   12.199448
                3s
                   +0 :               0.00054230385716
                3p
                   -1 :               0.00003833020386
                   +0 :              -0.00019941199733
                   +1 :              -0.00034349035148
                4s
                   +0 :              -0.00069436415318
                5s
                   +0 :              -0.00005033431174
                3d
                   -2 :              -0.00004860485811
                   -1 :               0.00012984915959
                   +0 :              -0.00037667428141
                   +1 :               0.00008264514753
                   +2 :              -0.00004098342110
                4d
                   -2 :               0.00003077705898
                   -1 :               0.00014785626390
                   +0 :               0.00009537429826
                   +1 :              -0.00026540922914
                   +2 :              -0.00021160531102
                4p
                   -1 :              -0.00022719736114
                   +0 :               0.00031563038557
                   +1 :               0.00068317364222
              3 vec=     2.593388     -7.244802    -10.693237   |vec|=   13.174146
                3s
                   +0 :              -0.00038170551975
                3p
                   -1 :               0.00017749526274
                   +0 :               0.00017021464220
                   +1 :              -0.00013262124761
                4s
                   +0 :               0.00088880797596
                5s
                   +0 :              -0.00004028767956
                3d
                   -2 :               0.00002917022361
                   -1 :               0.00003130142906
                   +0 :              -0.00013695732820
                   +1 :               0.00001532270187
                   +2 :              -0.00016912705249
                4d
                   -2 :              -0.00008563483469
                   -1 :               0.00008956131269
                   +0 :               0.00008842793337
                   +1 :              -0.00030444519230
                   +2 :               0.00008743859228
                4p
                   -1 :              -0.00039988201113
                   +0 :              -0.00044900102757
                   +1 :               0.00035344449179
              4 vec=    -5.186775      6.230835    -10.693237   |vec|=   13.419063
                3s
                   +0 :              -0.00042184841095
                3p
                   -1 :              -0.00017279588310
                   +0 :               0.00032812965701
                   +1 :               0.00015648631796
                4s
                   +0 :              -0.00018422416529
                5s
                   +0 :               0.00005050109985
                3d
                   -2 :               0.00025148935206
                   -1 :               0.00045011720444
                   +0 :               0.00015161113728
                   +1 :              -0.00038131552814
                   +2 :              -0.00025017892654
                4d
                   -2 :               0.00019792539683
                   -1 :              -0.00002418496409
                   +0 :              -0.00011408740485
                   +1 :              -0.00014824681401
                   +2 :              -0.00000687713710
                4p
                   -1 :              -0.00001668176782
                   +0 :               0.00005549392931
                   +1 :               0.00018120672888
              5 vec=     2.593388      1.738956     13.854306   |vec|=   14.201810
                3s
                   +0 :              -0.00019901451992
                3p
                   -1 :              -0.00005788306672
                   +0 :              -0.00006662857558
                   +1 :              -0.00003935668703
                4s
                   +0 :               0.00035603002633
                5s
                   +0 :              -0.00003339318419
                3d
                   -2 :               0.00018612042713
                   -1 :               0.00019122150427
                   +0 :               0.00006082896476
                   +1 :              -0.00009071794319
                   +2 :              -0.00014153174016
                4d
                   -2 :              -0.00001907488120
                   -1 :              -0.00004173079596
                   +0 :               0.00002191626473
                   +1 :               0.00001476718206
                   +2 :               0.00001525512062
                4p
                   -1 :               0.00010326636862
                   +0 :               0.00013183436169
                   +1 :               0.00005820279025
              6 vec=    -5.186775     -2.752923     13.854306   |vec|=   15.047359
                3s
                   +0 :              -0.00002491286448
                3p
                   -1 :              -0.00001544018349
                   +0 :              -0.00004352468922
                   +1 :              -0.00006170276769
                4s
                   +0 :               0.00007605112778
                5s
                   +0 :              -0.00003088046374
                3d
                   -2 :              -0.00007713721822
                   -1 :               0.00009000699115
                   +0 :              -0.00003404394247
                   +1 :               0.00008268845333
                   +2 :              -0.00007258391279
                4d
                   -2 :              -0.00000810326472
                   -1 :              -0.00001010178358
                   +0 :               0.00004978910995
                   +1 :              -0.00005784963295
                   +2 :              -0.00000444298240
                4p
                   -1 :               0.00005942741518
                   +0 :               0.00008890452226
                   +1 :               0.00017292532964
              7 vec=    10.373550     -2.752923    -10.693237   |vec|=   15.150394
                3s
                   +0 :              -0.00004038957177
                3p
                   -1 :               0.00006701100765
                   +0 :               0.00001883054970
                   +1 :               0.00000008879524
                4s
                   +0 :               0.00030335645332
                5s
                   +0 :              -0.00006960699978
                3d
                   -2 :               0.00023055750877
                   -1 :              -0.00027054874249
                   +0 :               0.00009302294207
                   +1 :              -0.00025832630692
                   +2 :               0.00009978930279
                4d
                   -2 :              -0.00001376305248
                   -1 :               0.00005838185013
                   +0 :               0.00003549603086
                   +1 :              -0.00011304045980
                   +2 :               0.00006922039055
                4p
                   -1 :              -0.00010870974293
                   +0 :              -0.00015337835549
                   +1 :               0.00007924200617
              8 vec=     2.593388     10.722714    -10.693237   |vec|=   15.363840
                3s
                   +0 :              -0.00004014224726
                3p
                   -1 :              -0.00000887146312
                   +0 :               0.00004962341609
                   +1 :              -0.00002478214835
                4s
                   +0 :              -0.00003051058636
                5s
                   +0 :              -0.00000298792347
                3d
                   -2 :              -0.00007498826572
                   -1 :               0.00011404246162
                   +0 :               0.00005643138505
                   +1 :               0.00017616593599
                   +2 :              -0.00019425237149
                4d
                   -2 :              -0.00002831074288
                   -1 :              -0.00004287401068
                   +0 :              -0.00001950919761
                   +1 :               0.00002030209832
                   +2 :              -0.00000110784688
                4p
                   -1 :               0.00003134448377
                   +0 :              -0.00008326724758
                   +1 :              -0.00002355244425
              9 vec=     2.593388     -7.244802     13.854306   |vec|=   15.847858
                3s
                   +0 :               0.00014234022668
                3p
                   -1 :              -0.00005316498595
                   +0 :               0.00005818246441
                   +1 :               0.00002154929851
                4s
                   +0 :              -0.00022595165695
                5s
                   +0 :               0.00001925607582
                3d
                   -2 :              -0.00007787277421
                   -1 :              -0.00002906948546
                   +0 :              -0.00005575268231
                   +1 :               0.00000975243220
                   +2 :              -0.00003100566689
                4d
                   -2 :              -0.00000211689849
                   -1 :               0.00000697943662
                   +0 :              -0.00000156955501
                   +1 :               0.00002204783513
                   +2 :               0.00004307187624
                4p
                   -1 :               0.00007336356023
                   +0 :              -0.00009777155897
                   +1 :               0.00000299644439
             10 vec=    -5.186775      6.230835     13.854306   |vec|=   16.052032
                3s
                   +0 :               0.00001210463510
                3p
                   -1 :               0.00006529576887
                   +0 :              -0.00000709042508
                   +1 :              -0.00000490296300
                4s
                   +0 :               0.00005113631041
                5s
                   +0 :              -0.00000388352831
                3d
                   -2 :              -0.00003583806453
                   -1 :               0.00024122031451
                   +0 :              -0.00010156699611
                   +1 :               0.00008216076951
                   +2 :              -0.00034094263718
                4d
                   -2 :               0.00002961452148
                   -1 :               0.00001594442361
                   +0 :              -0.00001558205550
                   +1 :               0.00000485758758
                   +2 :               0.00003614793954
                4p
                   -1 :               0.00001126050459
                   +0 :               0.00002470354289
                   +1 :               0.00002843154508
             11 vec=    10.373550      6.230835    -10.693237   |vec|=   16.148658
                3s
                   +0 :              -0.00015318440983
                3p
                   -1 :              -0.00006454551930
                   +0 :               0.00004478099503
                   +1 :              -0.00004626401486
                4s
                   +0 :               0.00024754857955
                5s
                   +0 :              -0.00001253049782
                3d
                   -2 :              -0.00013469482590
                   -1 :               0.00012631389956
                   +0 :               0.00000677048993
                   +1 :               0.00009957892680
                   +2 :               0.00000509136480
                4d
                   -2 :               0.00002704078340
                   -1 :              -0.00003123487005
                   +0 :              -0.00000856977507
                   +1 :              -0.00003154571177
                   +2 :              -0.00002454086406
                4p
                   -1 :               0.00011820650868
                   +0 :              -0.00006963713755
                   +1 :               0.00007881770122
             12 vec=    -5.186775    -11.736681    -10.693237   |vec|=   16.703222
                3s
                   +0 :               0.00005285611641
                3p
                   -1 :              -0.00001476995877
                   +0 :              -0.00008295745316
                   +1 :              -0.00003069096937
                4s
                   +0 :              -0.00009762701764
                5s
                   +0 :               0.00004771343927
                3d
                   -2 :               0.00003432862000
                   -1 :               0.00028942784523
                   +0 :               0.00005616051173
                   +1 :               0.00002937653539
                   +2 :              -0.00016172688554
                4d
                   -2 :              -0.00008180873567
                   -1 :              -0.00007977107332
                   +0 :              -0.00005989705663
                   +1 :              -0.00004895844713
                   +2 :              -0.00002444732850
                4p
                   -1 :               0.00003304653902
                   +0 :               0.00014282178157
                   +1 :               0.00008540363296
             13 vec=   -12.966938      1.738956    -10.693237   |vec|=   16.897064
                3s
                   +0 :              -0.00003553118883
                3p
                   -1 :               0.00000131194058
                   +0 :              -0.00000266167161
                   +1 :               0.00003224255874
                4s
                   +0 :               0.00005699377863
                5s
                   +0 :              -0.00001316393908
                3d
                   -2 :              -0.00001245619155
                   -1 :              -0.00000491064031
                   +0 :               0.00004329584916
                   +1 :               0.00000901052782
                   +2 :              -0.00002053548236
                4d
                   -2 :               0.00001716262383
                   -1 :              -0.00002872418751
                   +0 :              -0.00003502950215
                   +1 :               0.00002896478734
                   +2 :               0.00006633954035
                4p
                   -1 :              -0.00002302674395
                   +0 :               0.00001568989919
                   +1 :              -0.00007237987282
             14 vec=    10.373550     -2.752923     13.854306   |vec|=   17.525151
                3s
                   +0 :               0.00007753486753
                3p
                   -1 :              -0.00002267055769
                   +0 :               0.00002499798019
                   +1 :               0.00005902829698
                4s
                   +0 :              -0.00004314120386
                5s
                   +0 :              -0.00000203046108
                3d
                   -2 :              -0.00017739270168
                   -1 :              -0.00002671390989
                   +0 :              -0.00009937787435
                   +1 :               0.00010219908111
                   +2 :              -0.00000033164128
                4d
                   -2 :               0.00001340642209
                   -1 :              -0.00001318626791
                   +0 :               0.00002056391563
                   +1 :              -0.00002156832186
                   +2 :               0.00003449573778
                4p
                   -1 :              -0.00001197290875
                   +0 :              -0.00001681775738
                   +1 :              -0.00002490475562
             15 vec=     2.593388     10.722714     13.854306   |vec|=   17.709998
                3s
                   +0 :              -0.00008866062837
                3p
                   -1 :              -0.00006717936775
                   +0 :              -0.00003731003981
                   +1 :               0.00000115355556
                4s
                   +0 :               0.00009774725724
                5s
                   +0 :              -0.00001426679433
                3d
                   -2 :              -0.00006910938269
                   -1 :              -0.00009634540049
                   +0 :               0.00006420934901
                   +1 :              -0.00002026160382
                   +2 :               0.00013094917410
                4d
                   -2 :              -0.00000065300177
                   -1 :               0.00004455503397
                   +0 :               0.00001164257575
                   +1 :              -0.00000985220763
                   +2 :              -0.00002799197056
                4p
                   -1 :               0.00005178399092
                   +0 :               0.00006018986781
                   +1 :              -0.00002747153501
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al(  4)  npairs=  13
              1 vec=     2.593388      1.738956      6.601980   |vec|=    7.303134
                2s
                   +0 :              -0.00319213502265
                2p
                   -1 :              -0.00004745055484
                   +0 :              -0.00147998745384
                   +1 :              -0.00072459978771
                3s
                   +0 :               0.01087072941992
                4s
                   +0 :              -0.00418092707147
                3p
                   -1 :              -0.00487355315329
                   +0 :               0.00441587340426
                   +1 :               0.00585414502647
                4p
                   -1 :               0.00047408727752
                   +0 :              -0.00158708651522
                   +1 :              -0.00078345618699
                3d
                   -2 :              -0.00072452381107
                   -1 :              -0.00162597584835
                   +0 :              -0.00038052011849
                   +1 :               0.00062089797104
                   +2 :               0.00043440663813
              2 vec=    -5.186775     -2.752923      6.601980   |vec|=    8.835573
                2s
                   +0 :               0.00037371734013
                2p
                   -1 :              -0.00045450309105
                   +0 :               0.00019312238568
                   +1 :               0.00062544045189
                3s
                   +0 :              -0.00407084696854
                4s
                   +0 :              -0.00096822595399
                3p
                   -1 :               0.00356381722054
                   +0 :              -0.00321311914748
                   +1 :              -0.00221776180137
                4p
                   -1 :              -0.00074037862242
                   +0 :              -0.00026014664843
                   +1 :               0.00192828857506
                3d
                   -2 :              -0.00117749933840
                   -1 :               0.00103429226541
                   +0 :              -0.00033160939110
                   +1 :               0.00043157584475
                   +2 :               0.00120480977609
              3 vec=     2.593388     -7.244802      6.601980   |vec|=   10.138982
                2s
                   +0 :               0.00082168158819
                2p
                   -1 :              -0.00085672708122
                   +0 :              -0.00000275033907
                   +1 :               0.00006916590288
                3s
                   +0 :              -0.00508574795593
                4s
                   +0 :               0.00244352815199
                3p
                   -1 :               0.00576521860095
                   +0 :              -0.00109842867871
                   +1 :              -0.00020080900485
                4p
                   -1 :              -0.00188951554925
                   +0 :               0.00059796639655
                   +1 :               0.00041415454443
                3d
                   -2 :               0.00045071200295
                   -1 :               0.00073976346477
                   +0 :               0.00020154580192
                   +1 :               0.00024977080680
                   +2 :               0.00084587129896
              4 vec=    -5.186775      6.230835      6.601980   |vec|=   10.455242
                2s
                   +0 :              -0.00111380925794
                2p
                   -1 :              -0.00021307418026
                   +0 :              -0.00035753438877
                   +1 :               0.00005349347772
                3s
                   +0 :               0.00446250349014
                4s
                   +0 :              -0.00129285319073
                3p
                   -1 :               0.00098273337641
                   +0 :               0.00174339494623
                   +1 :              -0.00061130282084
                4p
                   -1 :              -0.00023574444044
                   +0 :              -0.00045700256622
                   +1 :              -0.00003501653435
                3d
                   -2 :              -0.00006448416147
                   -1 :              -0.00004827649940
                   +0 :               0.00055602403958
                   +1 :              -0.00013634563498
                   +2 :              -0.00029284475188
              5 vec=    10.373550     -2.752923      6.601980   |vec|=   12.600606
                2s
                   +0 :              -0.00042069079317
                2p
                   -1 :               0.00018077896260
                   +0 :              -0.00029196259066
                   +1 :              -0.00005507072642
                3s
                   +0 :               0.00193217103694
                4s
                   +0 :              -0.00078888870030
                3p
                   -1 :              -0.00112453534550
                   +0 :               0.00171909388317
                   +1 :               0.00047645488293
                4p
                   -1 :               0.00033289264961
                   +0 :              -0.00046422127192
                   +1 :              -0.00010146787716
                3d
                   -2 :              -0.00011047352427
                   -1 :              -0.00021904118977
                   +0 :               0.00012179814688
                   +1 :               0.00026084825933
                   +2 :              -0.00003607568552
              6 vec=     2.593388     10.722714      6.601980   |vec|=   12.856453
                2s
                   +0 :              -0.00025682019740
                2p
                   -1 :               0.00002503802964
                   +0 :              -0.00007493449859
                   +1 :              -0.00001328404027
                3s
                   +0 :               0.00172964715902
                4s
                   +0 :              -0.00027332437655
                3p
                   -1 :               0.00029012232852
                   +0 :               0.00102717469026
                   +1 :               0.00018163474183
                4p
                   -1 :               0.00013109833547
                   +0 :              -0.00017975928905
                   +1 :              -0.00015795977638
                3d
                   -2 :               0.00012373646145
                   -1 :               0.00025830570687
                   +0 :               0.00013074778800
                   +1 :               0.00001984111429
                   +2 :              -0.00013082791431
              7 vec=    10.373550      6.230835      6.601980   |vec|=   13.784774
                2s
                   +0 :              -0.00003777727350
                2p
                   -1 :              -0.00005475569169
                   +0 :               0.00004920802342
                   +1 :              -0.00004323316213
                3s
                   +0 :               0.00057404929688
                4s
                   +0 :              -0.00033357558460
                3p
                   -1 :               0.00037795092840
                   +0 :              -0.00013477751485
                   +1 :               0.00060363062039
                4p
                   -1 :              -0.00013083895153
                   +0 :              -0.00003555711988
                   +1 :              -0.00027166714446
                3d
                   -2 :               0.00006881263326
                   -1 :              -0.00012470578434
                   +0 :              -0.00001089300504
                   +1 :               0.00006083677196
                   +2 :               0.00007284145063
              8 vec=    -5.186775    -11.736681      6.601980   |vec|=   14.430470
                2s
                   +0 :               0.00020768196393
                2p
                   -1 :              -0.00003555698059
                   +0 :               0.00016214677708
                   +1 :              -0.00005473613726
                3s
                   +0 :              -0.00109272387275
                4s
                   +0 :               0.00036950302471
                3p
                   -1 :               0.00037558075671
                   +0 :              -0.00088972273311
                   +1 :               0.00042106007806
                4p
                   -1 :              -0.00010528837103
                   +0 :               0.00018543098918
                   +1 :              -0.00014715441109
                3d
                   -2 :              -0.00003553528594
                   -1 :               0.00006878436494
                   +0 :              -0.00005250685321
                   +1 :               0.00008219563075
                   +2 :               0.00003164201216
              9 vec=   -12.966938      1.738956      6.601980   |vec|=   14.654405
                2s
                   +0 :               0.00005024247472
                2p
                   -1 :               0.00001997036844
                   +0 :              -0.00000950827473
                   +1 :              -0.00000045177461
                3s
                   +0 :              -0.00009027402400
                4s
                   +0 :               0.00000110657660
                3p
                   -1 :              -0.00007738342361
                   +0 :               0.00010523388925
                   +1 :              -0.00003221631183
                4p
                   -1 :              -0.00001305848073
                   +0 :              -0.00004373007123
                   +1 :               0.00000561540147
                3d
                   -2 :              -0.00005821789699
                   -1 :              -0.00005045763769
                   +0 :               0.00006872728001
                   +1 :               0.00001145694171
                   +2 :               0.00002967089046
             10 vec=   -12.966938     -7.244802      6.601980   |vec|=   16.254684
                2s
                   +0 :               0.00005594034766
                2p
                   -1 :              -0.00002304735225
                   +0 :               0.00005157823893
                   +1 :              -0.00001401884894
                3s
                   +0 :              -0.00021954700148
                4s
                   +0 :               0.00002094432926
                3p
                   -1 :               0.00008632106461
                   +0 :              -0.00024246292809
                   +1 :               0.00006060199990
                4p
                   -1 :               0.00000630374793
                   +0 :               0.00003418151568
                   +1 :               0.00000404813665
                3d
                   -2 :              -0.00002221496124
                   -1 :               0.00003987686592
                   +0 :              -0.00000750911647
                   +1 :               0.00004738065911
                   +2 :               0.00003117186544
             11 vec=    10.373550    -11.736681      6.601980   |vec|=   16.998422
                2s
                   +0 :               0.00006688226634
                2p
                   -1 :              -0.00000723987748
                   +0 :               0.00001241972927
                   +1 :               0.00000262529038
                3s
                   +0 :              -0.00043780047035
                4s
                   +0 :               0.00008283302747
                3p
                   -1 :               0.00008932832559
                   +0 :              -0.00018852719627
                   +1 :              -0.00010138550233
                4p
                   -1 :              -0.00000497621569
                   +0 :               0.00003184609316
                   +1 :              -0.00001153232189
                3d
                   -2 :               0.00006360257707
                   -1 :               0.00004457029222
                   +0 :              -0.00003735503903
                   +1 :              -0.00003782358036
                   +2 :               0.00002660893662
             12 vec=    -5.186775     15.214593      6.601980   |vec|=   17.377359
                2s
                   +0 :              -0.00004556889831
                2p
                   -1 :               0.00001208177413
                   +0 :              -0.00001657057618
                   +1 :              -0.00002413920570
                3s
                   +0 :               0.00031656947864
                4s
                   +0 :              -0.00006201887305
                3p
                   -1 :               0.00000595024144
                   +0 :               0.00015875714996
                   +1 :               0.00012499506323
                4p
                   -1 :               0.00001761882071
                   +0 :              -0.00002693196232
                   +1 :              -0.00004427795965
                3d
                   -2 :               0.00002912745587
                   -1 :               0.00002946809090
                   +0 :               0.00001427559988
                   +1 :               0.00000741233598
                   +2 :              -0.00002425191594
             13 vec=     2.593388    -16.228560      6.601980   |vec|=   17.710956
                2s
                   +0 :               0.00004393771225
                2p
                   -1 :              -0.00000550256333
                   +0 :              -0.00000687964370
                   +1 :              -0.00003079020173
                3s
                   +0 :              -0.00024127549787
                4s
                   +0 :               0.00008618141711
                3p
                   -1 :               0.00006978258043
                   +0 :               0.00000521857118
                   +1 :               0.00018860269254
                4p
                   -1 :              -0.00002287968586
                   +0 :               0.00000768772196
                   +1 :              -0.00006383746227
                3d
                   -2 :               0.00000790711611
                   -1 :              -0.00003309308433
                   +0 :              -0.00002354974468
                   +1 :               0.00001698408318
                   +2 :               0.00001148109275
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al(  5)  npairs=  14
              1 vec=     0.000000     -2.752923      2.510641   |vec|=    3.725842
                2s
                   +0 :              -0.02275788989735
                2p
                   -1 :               0.02392022490809
                   +0 :              -0.02155597261530
                   +1 :              -0.00208393986602
                3s
                   +0 :              -0.06871695422951
                4s
                   +0 :              -0.00867804139007
                3p
                   -1 :               0.02845508951996
                   +0 :              -0.06191938662116
                   +1 :               0.01267763895218
                4p
                   -1 :               0.01256229421206
                   +0 :              -0.00846373153722
                   +1 :              -0.00476538188584
                3d
                   -2 :              -0.00153236855738
                   -1 :               0.04358161946308
                   +0 :              -0.02326918179036
                   +1 :               0.00029834661507
                   +2 :               0.01609065652651
              2 vec=     0.000000      6.230835      2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00214303115604
                2p
                   -1 :              -0.00195192979555
                   +0 :              -0.00112110132446
                   +1 :               0.00088044111294
                3s
                   +0 :               0.00200612833464
                4s
                   +0 :              -0.00469048774559
                3p
                   -1 :               0.00113442478665
                   +0 :               0.00077183366581
                   +1 :              -0.00559666253758
                4p
                   -1 :              -0.00300383862723
                   +0 :              -0.00136560214387
                   +1 :               0.00149991860052
                3d
                   -2 :              -0.00084645823528
                   -1 :               0.00043477562876
                   +0 :               0.00038869921103
                   +1 :              -0.00004676445463
                   +2 :               0.00022687090952
              3 vec=    -7.780163      1.738956      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00082281352890
                2p
                   -1 :              -0.00039301961558
                   +0 :              -0.00034044452985
                   +1 :              -0.00067755868570
                3s
                   +0 :              -0.00243285023426
                4s
                   +0 :               0.00068717530535
                3p
                   -1 :               0.00123607763252
                   +0 :               0.00220461762096
                   +1 :               0.00382066030139
                4p
                   -1 :               0.00016524573641
                   +0 :              -0.00052011072181
                   +1 :              -0.00085187420370
                3d
                   -2 :              -0.00047464418804
                   -1 :               0.00035828514662
                   +0 :               0.00104679159971
                   +1 :               0.00009317149180
                   +2 :              -0.00122595392058
              4 vec=     7.780163      1.738956      2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00031296979946
                2p
                   -1 :              -0.00050712051967
                   +0 :              -0.00002432637385
                   +1 :               0.00002942997652
                3s
                   +0 :              -0.00125282361979
                4s
                   +0 :               0.00225273118325
                3p
                   -1 :               0.00359278955592
                   +0 :              -0.00010081255197
                   +1 :              -0.00362289698481
                4p
                   -1 :              -0.00096685436439
                   +0 :               0.00058628527415
                   +1 :               0.00236966637155
                3d
                   -2 :               0.00036562394981
                   -1 :               0.00037995058134
                   +0 :               0.00050915336182
                   +1 :              -0.00088118931621
                   +2 :              -0.00075076394886
              5 vec=    -7.780163     -7.244802      2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00036350535000
                2p
                   -1 :               0.00011867718310
                   +0 :               0.00012240867613
                   +1 :              -0.00010884394042
                3s
                   +0 :               0.00064143553732
                4s
                   +0 :               0.00046479933699
                3p
                   -1 :              -0.00034481087073
                   +0 :              -0.00052622863919
                   +1 :               0.00114947256439
                4p
                   -1 :              -0.00020048332896
                   +0 :               0.00031813220278
                   +1 :              -0.00060617140026
                3d
                   -2 :              -0.00024663399065
                   -1 :              -0.00016270765806
                   +0 :               0.00016286274195
                   +1 :               0.00031262414108
                   +2 :              -0.00019999591749
              6 vec=     7.780163     -7.244802      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00027286138410
                2p
                   -1 :              -0.00005304334888
                   +0 :               0.00004779441980
                   +1 :               0.00004295990678
                3s
                   +0 :              -0.00074357457962
                4s
                   +0 :               0.00040207527901
                3p
                   -1 :              -0.00031649202225
                   +0 :              -0.00002307803657
                   +1 :              -0.00020905960151
                4p
                   -1 :               0.00003616643570
                   +0 :              -0.00000317022420
                   +1 :               0.00012616608865
                3d
                   -2 :              -0.00002398089790
                   -1 :              -0.00006927896241
                   +0 :               0.00026036510790
                   +1 :              -0.00020142538572
                   +2 :              -0.00000333622572
              7 vec=     0.000000    -11.736681      2.510641   |vec|=   12.002208
                2s
                   +0 :              -0.00028449533224
                2p
                   -1 :               0.00016984829721
                   +0 :              -0.00018510893173
                   +1 :              -0.00006119584899
                3s
                   +0 :               0.00035290212619
                4s
                   +0 :              -0.00041416832075
                3p
                   -1 :              -0.00045444422518
                   +0 :               0.00010162071880
                   +1 :               0.00015254373276
                4p
                   -1 :               0.00023484656797
                   +0 :              -0.00016705355444
                   +1 :               0.00003703025524
                3d
                   -2 :              -0.00041010233448
                   -1 :               0.00017015628094
                   +0 :              -0.00008438034989
                   +1 :              -0.00007181171139
                   +2 :               0.00008028799069
              8 vec=    -7.780163     10.722714      2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00003837144881
                2p
                   -1 :               0.00007194959189
                   +0 :               0.00000722848795
                   +1 :               0.00007819214315
                3s
                   +0 :               0.00125902789184
                4s
                   +0 :              -0.00024285254583
                3p
                   -1 :              -0.00030144202070
                   +0 :               0.00078708496464
                   +1 :              -0.00111678107968
                4p
                   -1 :               0.00010587328318
                   +0 :              -0.00001500346143
                   +1 :               0.00024154852566
                3d
                   -2 :              -0.00010408553289
                   -1 :               0.00006484242087
                   +0 :               0.00029448793134
                   +1 :              -0.00028468110836
                   +2 :               0.00023560944069
              9 vec=     7.780163     10.722714      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00014527909345
                2p
                   -1 :              -0.00005896261689
                   +0 :               0.00022112256785
                   +1 :               0.00028497322431
                3s
                   +0 :               0.00025031373057
                4s
                   +0 :               0.00021334044871
                3p
                   -1 :               0.00048350273423
                   +0 :              -0.00016255833074
                   +1 :              -0.00097146336275
                4p
                   -1 :              -0.00009175551004
                   +0 :               0.00014554882669
                   +1 :               0.00039990424239
                3d
                   -2 :               0.00001427657137
                   -1 :              -0.00007506711754
                   +0 :               0.00021554612152
                   +1 :               0.00017855064903
                   +2 :              -0.00020954515118
             10 vec=     0.000000     15.214593      2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00001905621299
                2p
                   -1 :              -0.00002428933249
                   +0 :              -0.00000986790804
                   +1 :              -0.00000585937578
                3s
                   +0 :               0.00023966886500
                4s
                   +0 :              -0.00011435655862
                3p
                   -1 :               0.00019780358802
                   +0 :               0.00008148078365
                   +1 :              -0.00000978015298
                4p
                   -1 :              -0.00009289684077
                   +0 :              -0.00000659929334
                   +1 :               0.00003794060027
                3d
                   -2 :              -0.00002785827000
                   -1 :               0.00002385703042
                   +0 :              -0.00000022012087
                   +1 :               0.00004384589507
                   +2 :              -0.00001296929478
             11 vec=   -15.560325     -2.752923      2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00006555995066
                2p
                   -1 :              -0.00001334138066
                   +0 :              -0.00002464358007
                   +1 :               0.00006575258286
                3s
                   +0 :               0.00007554335725
                4s
                   +0 :              -0.00007045601950
                3p
                   -1 :               0.00007578368344
                   +0 :               0.00009148485702
                   +1 :              -0.00026071402494
                4p
                   -1 :              -0.00002682573375
                   +0 :              -0.00004524318291
                   +1 :               0.00008163737210
                3d
                   -2 :               0.00003337797044
                   -1 :              -0.00002601433904
                   +0 :              -0.00005215177918
                   +1 :              -0.00001863852650
                   +2 :               0.00000715940106
             12 vec=    15.560325     -2.752923      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00000666868436
                2p
                   -1 :              -0.00005319380068
                   +0 :              -0.00000089255400
                   +1 :              -0.00002767334981
                3s
                   +0 :              -0.00019437318878
                4s
                   +0 :               0.00001969011776
                3p
                   -1 :               0.00022249353125
                   +0 :              -0.00010757645460
                   +1 :               0.00005626631101
                4p
                   -1 :              -0.00004466715915
                   +0 :               0.00002900062250
                   +1 :              -0.00002634293880
                3d
                   -2 :               0.00001048775501
                   -1 :              -0.00008965962057
                   +0 :              -0.00001852380651
                   +1 :              -0.00002623196118
                   +2 :               0.00004792059138
             13 vec=   -15.560325      6.230835      2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00000815300543
                2p
                   -1 :              -0.00000410387093
                   +0 :               0.00000498796306
                   +1 :              -0.00000253622346
                3s
                   +0 :              -0.00001016731011
                4s
                   +0 :               0.00001895058707
                3p
                   -1 :               0.00000668558500
                   +0 :              -0.00000476326072
                   +1 :              -0.00000921948721
                4p
                   -1 :              -0.00000230414279
                   +0 :               0.00001236192022
                   +1 :               0.00000483438576
                3d
                   -2 :              -0.00000735521086
                   -1 :              -0.00000978054698
                   +0 :              -0.00001932918962
                   +1 :              -0.00000650190576
                   +2 :               0.00000246810953
             14 vec=    15.560325      6.230835      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00001929079395
                2p
                   -1 :               0.00000999314457
                   +0 :               0.00000603934184
                   +1 :              -0.00000347735799
                3s
                   +0 :               0.00014460690104
                4s
                   +0 :              -0.00007424906805
                3p
                   -1 :              -0.00004013035473
                   +0 :               0.00001869751454
                   +1 :               0.00007530606956
                4p
                   -1 :               0.00000236144232
                   +0 :              -0.00001737636014
                   +1 :              -0.00003479332101
                3d
                   -2 :               0.00000913497410
                   -1 :               0.00001332136789
                   +0 :               0.00000346201774
                   +1 :               0.00001181345140
                   +2 :               0.00000670093759
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al(  6)  npairs=  13
              1 vec=     0.000000     -2.752923      9.762967   |vec|=   10.143673
                2s
                   +0 :               0.00031599200663
                2p
                   -1 :              -0.00011700871638
                   +0 :               0.00011225952137
                   +1 :               0.00021687848881
                3s
                   +0 :              -0.00026314540252
                4s
                   +0 :               0.00001343055630
                3p
                   -1 :              -0.00056725628233
                   +0 :              -0.00010935661628
                   +1 :              -0.00106472638664
                4p
                   -1 :              -0.00001028029049
                   +0 :              -0.00001090416204
                   +1 :               0.00040952023722
                3d
                   -2 :               0.00043849461198
                   -1 :              -0.00025703836327
                   +0 :               0.00010117822652
                   +1 :              -0.00001250095520
                   +2 :               0.00046030296532
              2 vec=     0.000000      6.230835      9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00036562677499
                2p
                   -1 :              -0.00005645389327
                   +0 :              -0.00017457186986
                   +1 :               0.00015963145321
                3s
                   +0 :               0.00148517377964
                4s
                   +0 :              -0.00075110677924
                3p
                   -1 :               0.00034524510044
                   +0 :               0.00138570525398
                   +1 :              -0.00050188875363
                4p
                   -1 :              -0.00010070727884
                   +0 :              -0.00050597042249
                   +1 :              -0.00004020269557
                3d
                   -2 :              -0.00035552715611
                   -1 :               0.00016160852705
                   +0 :               0.00035083461176
                   +1 :              -0.00017042539848
                   +2 :               0.00007290637320
              3 vec=    -7.780163      1.738956      9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00000792951392
                2p
                   -1 :              -0.00011923564151
                   +0 :               0.00002154218414
                   +1 :              -0.00002865363267
                3s
                   +0 :              -0.00072278323167
                4s
                   +0 :              -0.00006332631649
                3p
                   -1 :               0.00041232035512
                   +0 :              -0.00039906533429
                   +1 :               0.00097778608301
                4p
                   -1 :              -0.00025348441594
                   +0 :               0.00004205424543
                   +1 :              -0.00012666884696
                3d
                   -2 :               0.00031751248103
                   -1 :              -0.00010283805483
                   +0 :               0.00008242594095
                   +1 :               0.00033963607946
                   +2 :              -0.00023842566116
              4 vec=     7.780163      1.738956      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00009831796313
                2p
                   -1 :               0.00003645413151
                   +0 :               0.00006405002599
                   +1 :               0.00013093084880
                3s
                   +0 :              -0.00122191179836
                4s
                   +0 :               0.00030695018683
                3p
                   -1 :              -0.00045503730363
                   +0 :              -0.00070516738026
                   +1 :              -0.00147250748051
                4p
                   -1 :              -0.00006360537410
                   +0 :               0.00026285540689
                   +1 :               0.00028909319572
                3d
                   -2 :              -0.00011079146391
                   -1 :               0.00001656652740
                   +0 :               0.00014777311470
                   +1 :              -0.00024725597009
                   +2 :              -0.00012283439787
              5 vec=    -7.780163     -7.244802      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00001355408354
                2p
                   -1 :               0.00004773525795
                   +0 :               0.00001086676774
                   +1 :              -0.00013704761436
                3s
                   +0 :              -0.00005536495202
                4s
                   +0 :               0.00016274923438
                3p
                   -1 :              -0.00024641874839
                   +0 :              -0.00009858219396
                   +1 :               0.00077392373620
                4p
                   -1 :              -0.00000943981625
                   +0 :               0.00005136634232
                   +1 :              -0.00025699204426
                3d
                   -2 :              -0.00003911618937
                   -1 :              -0.00010721566288
                   +0 :              -0.00003718506963
                   +1 :               0.00015722848308
                   +2 :              -0.00018581101205
              6 vec=     7.780163     -7.244802      9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00020875638991
                2p
                   -1 :               0.00006244484820
                   +0 :               0.00005011854020
                   +1 :               0.00002620600096
                3s
                   +0 :              -0.00054082168249
                4s
                   +0 :               0.00013564436810
                3p
                   -1 :              -0.00037952177918
                   +0 :              -0.00017528820363
                   +1 :               0.00000672584965
                4p
                   -1 :               0.00009341734942
                   +0 :               0.00002095315797
                   +1 :              -0.00006056017686
                3d
                   -2 :              -0.00019817928116
                   -1 :              -0.00012511334215
                   +0 :              -0.00000258041706
                   +1 :              -0.00001651595856
                   +2 :              -0.00001080610914
              7 vec=     0.000000     -2.752923    -14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00000545851885
                2p
                   -1 :               0.00000842831622
                   +0 :               0.00000135876501
                   +1 :               0.00001155110065
                3s
                   +0 :              -0.00016310067610
                4s
                   +0 :               0.00002310839719
                3p
                   -1 :              -0.00010540502739
                   +0 :               0.00011213429715
                   +1 :               0.00004058177268
                4p
                   -1 :               0.00003704066760
                   +0 :              -0.00001696378097
                   +1 :              -0.00002615113500
                3d
                   -2 :               0.00007988713476
                   -1 :               0.00001725379520
                   +0 :              -0.00002944936819
                   +1 :              -0.00003213479602
                   +2 :               0.00002402030770
              8 vec=     0.000000    -11.736681      9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00031781662809
                2p
                   -1 :               0.00018008840331
                   +0 :              -0.00016011630692
                   +1 :              -0.00009075310258
                3s
                   +0 :               0.00107741773445
                4s
                   +0 :              -0.00024462043130
                3p
                   -1 :              -0.00096345414055
                   +0 :               0.00073216606596
                   +1 :               0.00060740087751
                4p
                   -1 :               0.00018551546766
                   +0 :              -0.00014331407460
                   +1 :              -0.00022598948588
                3d
                   -2 :              -0.00006683523112
                   -1 :              -0.00032371223501
                   +0 :              -0.00000765645511
                   +1 :               0.00003352850006
                   +2 :              -0.00021903258510
              9 vec=     0.000000      6.230835    -14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00001031864231
                2p
                   -1 :               0.00000969233370
                   +0 :              -0.00000612401122
                   +1 :               0.00001022761387
                3s
                   +0 :               0.00023154074906
                4s
                   +0 :              -0.00000505812396
                3p
                   -1 :              -0.00011483312367
                   +0 :              -0.00007053317053
                   +1 :              -0.00005835797209
                4p
                   -1 :               0.00002225799464
                   +0 :              -0.00001666724316
                   +1 :               0.00003075028091
                3d
                   -2 :               0.00000116082851
                   -1 :               0.00002113391805
                   +0 :              -0.00000611332540
                   +1 :              -0.00000322102216
                   +2 :              -0.00001950040922
             10 vec=    -7.780163     10.722714      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00002733143962
                2p
                   -1 :              -0.00001284464832
                   +0 :              -0.00001771934303
                   +1 :              -0.00000075001411
                3s
                   +0 :               0.00022835670099
                4s
                   +0 :              -0.00005678342508
                3p
                   -1 :               0.00008249690055
                   +0 :               0.00018092317547
                   +1 :              -0.00012384583020
                4p
                   -1 :              -0.00001701388990
                   +0 :              -0.00003288833042
                   +1 :               0.00002530394322
                3d
                   -2 :              -0.00002193682923
                   -1 :               0.00001857134812
                   +0 :               0.00000159803669
                   +1 :              -0.00004796055342
                   +2 :               0.00003771467330
             11 vec=     7.780163     10.722714      9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00010226410479
                2p
                   -1 :               0.00004792812691
                   +0 :               0.00000259320307
                   +1 :               0.00008520969243
                3s
                   +0 :              -0.00023432228874
                4s
                   +0 :               0.00008201991815
                3p
                   -1 :              -0.00019699218222
                   +0 :               0.00010625350720
                   +1 :              -0.00032540964237
                4p
                   -1 :               0.00004070730431
                   +0 :              -0.00002689679459
                   +1 :               0.00005675430136
                3d
                   -2 :              -0.00005294748683
                   -1 :               0.00001496354140
                   +0 :               0.00003886892874
                   +1 :              -0.00002068719090
                   +2 :              -0.00002508543500
             12 vec=    -7.780163      1.738956    -14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00002455169490
                2p
                   -1 :               0.00000117804078
                   +0 :              -0.00001167070291
                   +1 :              -0.00000286670164
                3s
                   +0 :               0.00011260043055
                4s
                   +0 :               0.00001548492866
                3p
                   -1 :              -0.00003087790669
                   +0 :               0.00003392069278
                   +1 :              -0.00007873558570
                4p
                   -1 :              -0.00001280661057
                   +0 :              -0.00004387102699
                   +1 :               0.00000339827714
                3d
                   -2 :              -0.00000451402201
                   -1 :               0.00002414085865
                   +0 :              -0.00003311365218
                   +1 :               0.00002828027109
                   +2 :               0.00005911254378
             13 vec=     7.780163      1.738956    -14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00006670156532
                2p
                   -1 :               0.00000163858870
                   +0 :               0.00001653743004
                   +1 :              -0.00000741974372
                3s
                   +0 :               0.00024378097373
                4s
                   +0 :              -0.00006324140050
                3p
                   -1 :              -0.00005981371578
                   +0 :              -0.00011134670538
                   +1 :               0.00007635131658
                4p
                   -1 :              -0.00000439356777
                   +0 :               0.00000554662403
                   +1 :              -0.00001464409987
                3d
                   -2 :              -0.00003632817883
                   -1 :               0.00001355411365
                   +0 :              -0.00000604886809
                   +1 :              -0.00004131574712
                   +2 :               0.00003594545903
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al(  7)  npairs=  14
              1 vec=     0.000000     -2.752923     -2.510804   |vec|=    3.725953
                2s
                   +0 :              -0.02273631215050
                2p
                   -1 :               0.02389746280214
                   +0 :               0.02153484061675
                   +1 :               0.00207465206434
                3s
                   +0 :              -0.06890355668315
                4s
                   +0 :              -0.00865551598969
                3p
                   -1 :               0.02863784199423
                   +0 :               0.06204828851110
                   +1 :              -0.01264007116982
                4p
                   -1 :               0.01255273511080
                   +0 :               0.00845986362056
                   +1 :               0.00475796116837
                3d
                   -2 :               0.00153493432128
                   -1 :              -0.04364670449826
                   +0 :              -0.02327612966697
                   +1 :               0.00029526991473
                   +2 :               0.01612602258859
              2 vec=     0.000000      6.230835     -2.510804   |vec|=    6.717696
                2s
                   +0 :              -0.00213258452920
                2p
                   -1 :              -0.00194492445308
                   +0 :               0.00113065337658
                   +1 :              -0.00088421558956
                3s
                   +0 :               0.00195726722502
                4s
                   +0 :              -0.00466174717886
                3p
                   -1 :               0.00108193384859
                   +0 :              -0.00084447013933
                   +1 :               0.00563999071408
                4p
                   -1 :              -0.00299503172757
                   +0 :               0.00139482995385
                   +1 :              -0.00150582480094
                3d
                   -2 :               0.00085185740250
                   -1 :              -0.00042899218207
                   +0 :               0.00037820119965
                   +1 :              -0.00004846498007
                   +2 :               0.00022766828648
              3 vec=    -7.780163      1.738956     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00031272684433
                2p
                   -1 :              -0.00050888643287
                   +0 :               0.00002589788381
                   +1 :              -0.00002951815521
                3s
                   +0 :              -0.00127068370820
                4s
                   +0 :               0.00224405243770
                3p
                   -1 :               0.00360705060958
                   +0 :               0.00009873252754
                   +1 :               0.00364094313631
                4p
                   -1 :              -0.00096468577549
                   +0 :              -0.00059051986183
                   +1 :              -0.00236790544995
                3d
                   -2 :              -0.00037257330430
                   -1 :              -0.00038075396526
                   +0 :               0.00051687882964
                   +1 :              -0.00086613300209
                   +2 :              -0.00076147330654
              4 vec=     7.780163      1.738956     -2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00081256561847
                2p
                   -1 :              -0.00039643031142
                   +0 :               0.00033813380239
                   +1 :               0.00067475367556
                3s
                   +0 :              -0.00242183324783
                4s
                   +0 :               0.00068624486367
                3p
                   -1 :               0.00127448519044
                   +0 :              -0.00220382054873
                   +1 :              -0.00382303331923
                4p
                   -1 :               0.00016382689751
                   +0 :               0.00052750427236
                   +1 :               0.00084743200527
                3d
                   -2 :               0.00047472110567
                   -1 :              -0.00035486574292
                   +0 :               0.00104455329777
                   +1 :               0.00009847738131
                   +2 :              -0.00122801727943
              5 vec=    -7.780163     -7.244802     -2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00027115310282
                2p
                   -1 :              -0.00005542628028
                   +0 :              -0.00005150146643
                   +1 :              -0.00004263002036
                3s
                   +0 :              -0.00074165545658
                4s
                   +0 :               0.00039189342892
                3p
                   -1 :              -0.00030938893307
                   +0 :               0.00004918607596
                   +1 :               0.00019933171492
                4p
                   -1 :               0.00003589400529
                   +0 :              -0.00000570451059
                   +1 :              -0.00012162820642
                3d
                   -2 :               0.00002421977494
                   -1 :               0.00006885495604
                   +0 :               0.00026341587803
                   +1 :              -0.00019984878275
                   +2 :              -0.00000138880559
              6 vec=     7.780163     -7.244802     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00036382170582
                2p
                   -1 :               0.00011445334594
                   +0 :              -0.00012357052496
                   +1 :               0.00011091958649
                3s
                   +0 :               0.00064432928636
                4s
                   +0 :               0.00046251141269
                3p
                   -1 :              -0.00032897027648
                   +0 :               0.00053776006863
                   +1 :              -0.00114118845094
                4p
                   -1 :              -0.00020298012341
                   +0 :              -0.00032038785079
                   +1 :               0.00060776631924
                3d
                   -2 :               0.00024773558680
                   -1 :               0.00016472086809
                   +0 :               0.00016559486624
                   +1 :               0.00031200127977
                   +2 :              -0.00019637830733
              7 vec=     0.000000    -11.736681     -2.510804   |vec|=   12.002242
                2s
                   +0 :              -0.00027909776450
                2p
                   -1 :               0.00016677216864
                   +0 :               0.00018537630343
                   +1 :               0.00005940776771
                3s
                   +0 :               0.00033559805797
                4s
                   +0 :              -0.00040972936351
                3p
                   -1 :              -0.00044102166552
                   +0 :              -0.00010212982506
                   +1 :              -0.00013969656527
                4p
                   -1 :               0.00022929370964
                   +0 :               0.00016502785093
                   +1 :              -0.00003728009168
                3d
                   -2 :               0.00040757594035
                   -1 :              -0.00016781394008
                   +0 :              -0.00008155806814
                   +1 :              -0.00007124348160
                   +2 :               0.00008173139084
              8 vec=    -7.780163     10.722714     -2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00014649263798
                2p
                   -1 :              -0.00005454335572
                   +0 :              -0.00022021440106
                   +1 :              -0.00028440581099
                3s
                   +0 :               0.00027644495397
                4s
                   +0 :               0.00021333206718
                3p
                   -1 :               0.00046680898227
                   +0 :               0.00015965769562
                   +1 :               0.00096311221223
                4p
                   -1 :              -0.00008782921023
                   +0 :              -0.00014514136391
                   +1 :              -0.00039955717010
                3d
                   -2 :              -0.00001385661018
                   -1 :               0.00007394777896
                   +0 :               0.00021890307831
                   +1 :               0.00018268548517
                   +2 :              -0.00020761063823
              9 vec=     7.780163     10.722714     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00003618655231
                2p
                   -1 :               0.00007190743126
                   +0 :              -0.00000795524585
                   +1 :              -0.00007804032391
                3s
                   +0 :               0.00125453851949
                4s
                   +0 :              -0.00023852384903
                3p
                   -1 :              -0.00030422360170
                   +0 :              -0.00078734127653
                   +1 :               0.00111742305136
                4p
                   -1 :               0.00010601377274
                   +0 :               0.00001623161064
                   +1 :              -0.00024020062781
                3d
                   -2 :               0.00010196708533
                   -1 :              -0.00006875995554
                   +0 :               0.00029641995375
                   +1 :              -0.00028484120319
                   +2 :               0.00023548856536
             10 vec=     0.000000     15.214593     -2.510804   |vec|=   15.420376
                2s
                   +0 :              -0.00001953881822
                2p
                   -1 :              -0.00002249920509
                   +0 :               0.00000909301822
                   +1 :               0.00000638684891
                3s
                   +0 :               0.00023661735299
                4s
                   +0 :              -0.00011344922549
                3p
                   -1 :               0.00018543767819
                   +0 :              -0.00007750020746
                   +1 :               0.00001174004521
                4p
                   -1 :              -0.00009073503635
                   +0 :               0.00000553124111
                   +1 :              -0.00003736535144
                3d
                   -2 :               0.00002908321866
                   -1 :              -0.00002349538893
                   +0 :              -0.00000124817251
                   +1 :               0.00004213236242
                   +2 :              -0.00001127796982
             11 vec=   -15.560325     -2.752923     -2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00000619017332
                2p
                   -1 :              -0.00005198670783
                   +0 :               0.00000098910973
                   +1 :               0.00002875596374
                3s
                   +0 :              -0.00019156946224
                4s
                   +0 :               0.00001787209848
                3p
                   -1 :               0.00021575006270
                   +0 :               0.00010861672985
                   +1 :              -0.00005852157450
                4p
                   -1 :              -0.00004277925160
                   +0 :              -0.00002944854875
                   +1 :               0.00002681962585
                3d
                   -2 :              -0.00000903157496
                   -1 :               0.00008803775237
                   +0 :              -0.00001883866678
                   +1 :              -0.00002699708895
                   +2 :               0.00004622310782
             12 vec=    15.560325     -2.752923     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00006639865642
                2p
                   -1 :              -0.00001309352455
                   +0 :               0.00002332709468
                   +1 :              -0.00006653601398
                3s
                   +0 :               0.00006933612882
                4s
                   +0 :              -0.00007037899774
                3p
                   -1 :               0.00007354883021
                   +0 :              -0.00008792998704
                   +1 :               0.00026167808856
                4p
                   -1 :              -0.00002556699020
                   +0 :               0.00004525934845
                   +1 :              -0.00008247548770
                3d
                   -2 :              -0.00003365099976
                   -1 :               0.00002482079442
                   +0 :              -0.00005267368795
                   +1 :              -0.00001793405310
                   +2 :               0.00000748271149
             13 vec=   -15.560325      6.230835     -2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00002147078769
                2p
                   -1 :               0.00001249374039
                   +0 :              -0.00000547616758
                   +1 :               0.00000528495376
                3s
                   +0 :               0.00015622831177
                4s
                   +0 :              -0.00007657151467
                3p
                   -1 :              -0.00004810311711
                   +0 :              -0.00002212334249
                   +1 :              -0.00008189012838
                4p
                   -1 :               0.00000312588705
                   +0 :               0.00001905151543
                   +1 :               0.00003514100509
                3d
                   -2 :              -0.00000806386390
                   -1 :              -0.00001570383384
                   +0 :               0.00000400503179
                   +1 :               0.00001199143423
                   +2 :               0.00000808311788
             14 vec=    15.560325      6.230835     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00000934005213
                2p
                   -1 :              -0.00000441673772
                   +0 :              -0.00000448954582
                   +1 :               0.00000248275110
                3s
                   +0 :              -0.00001350603287
                4s
                   +0 :               0.00002056691854
                3p
                   -1 :               0.00000614451605
                   +0 :               0.00000296457167
                   +1 :               0.00000978074942
                4p
                   -1 :              -0.00000176146648
                   +0 :              -0.00001084814324
                   +1 :              -0.00000452955465
                3d
                   -2 :               0.00000690914282
                   -1 :               0.00000977479897
                   +0 :              -0.00001964036595
                   +1 :              -0.00000584226720
                   +2 :               0.00000235386232
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al(  8)  npairs=  13
              1 vec=     0.000000     -2.752923     -9.763130   |vec|=   10.143831
                2s
                   +0 :               0.00034582834209
                2p
                   -1 :              -0.00012337203319
                   +0 :              -0.00012240843814
                   +1 :              -0.00022998773316
                3s
                   +0 :              -0.00044671325631
                4s
                   +0 :               0.00011825547374
                3p
                   -1 :              -0.00052338809767
                   +0 :               0.00014016559226
                   +1 :               0.00119645274527
                4p
                   -1 :              -0.00003901680399
                   +0 :               0.00000747815452
                   +1 :              -0.00044445622770
                3d
                   -2 :              -0.00046262921136
                   -1 :               0.00025594254378
                   +0 :               0.00014453078174
                   +1 :              -0.00000836531707
                   +2 :               0.00054839003169
              2 vec=     0.000000      6.230835     -9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00029827276513
                2p
                   -1 :              -0.00006117597822
                   +0 :               0.00018919473262
                   +1 :              -0.00015567455181
                3s
                   +0 :               0.00136652348820
                4s
                   +0 :              -0.00072712131284
                3p
                   -1 :               0.00036110349091
                   +0 :              -0.00127491246586
                   +1 :               0.00056931167384
                4p
                   -1 :              -0.00010469182712
                   +0 :               0.00048417994774
                   +1 :               0.00002097915614
                3d
                   -2 :               0.00037710605498
                   -1 :              -0.00018340287449
                   +0 :               0.00033614625395
                   +1 :              -0.00017951791352
                   +2 :               0.00006485057474
              3 vec=    -7.780163      1.738956     -9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00009103593534
                2p
                   -1 :               0.00003023140273
                   +0 :              -0.00005116221603
                   +1 :              -0.00011972927853
                3s
                   +0 :              -0.00118003332408
                4s
                   +0 :               0.00025203437354
                3p
                   -1 :              -0.00056592036696
                   +0 :               0.00062461617005
                   +1 :               0.00135905725344
                4p
                   -1 :              -0.00000034626711
                   +0 :              -0.00025918447375
                   +1 :              -0.00024038000536
                3d
                   -2 :               0.00009057468478
                   -1 :              -0.00004364494348
                   +0 :               0.00015400877050
                   +1 :              -0.00026746653522
                   +2 :              -0.00015651293649
              4 vec=     7.780163      1.738956     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00000036600291
                2p
                   -1 :              -0.00009285807616
                   +0 :              -0.00005395665362
                   +1 :              -0.00000162280467
                3s
                   +0 :              -0.00079999321014
                4s
                   +0 :              -0.00004844050662
                3p
                   -1 :               0.00027802742281
                   +0 :               0.00052336655247
                   +1 :              -0.00082804049225
                4p
                   -1 :              -0.00021101699561
                   +0 :              -0.00008269684351
                   +1 :               0.00006879264568
                3d
                   -2 :              -0.00029675846825
                   -1 :               0.00012450343422
                   +0 :               0.00007903006596
                   +1 :               0.00035174664673
                   +2 :              -0.00022033225588
              5 vec=    -7.780163     -7.244802     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00019893818423
                2p
                   -1 :               0.00006338201219
                   +0 :              -0.00005266994353
                   +1 :              -0.00002187824814
                3s
                   +0 :              -0.00053118524434
                4s
                   +0 :               0.00011955680846
                3p
                   -1 :              -0.00035946599652
                   +0 :               0.00014620528483
                   +1 :              -0.00004617563434
                4p
                   -1 :               0.00007585723576
                   +0 :              -0.00001874512530
                   +1 :               0.00007696224118
                3d
                   -2 :               0.00019543059302
                   -1 :               0.00011568334535
                   +0 :               0.00000114579650
                   +1 :              -0.00001831057873
                   +2 :              -0.00000484264377
              6 vec=     7.780163     -7.244802     -9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00000664184419
                2p
                   -1 :               0.00005915206473
                   +0 :              -0.00001470591522
                   +1 :               0.00014052366979
                3s
                   +0 :              -0.00005230700924
                4s
                   +0 :               0.00011475687989
                3p
                   -1 :              -0.00029455748981
                   +0 :               0.00008607582750
                   +1 :              -0.00074068976383
                4p
                   -1 :              -0.00000439587177
                   +0 :              -0.00007149215969
                   +1 :               0.00021196996559
                3d
                   -2 :               0.00005192861725
                   -1 :               0.00011871208443
                   +0 :              -0.00005099579811
                   +1 :               0.00013623384196
                   +2 :              -0.00017346109362
              7 vec=     0.000000     -2.752923     14.784412   |vec|=   15.038531
                2s
                   +0 :              -0.00006319663543
                2p
                   -1 :              -0.00002621273268
                   +0 :              -0.00001298326811
                   +1 :              -0.00001926525898
                3s
                   +0 :               0.00010168349911
                4s
                   +0 :              -0.00003450049866
                3p
                   -1 :               0.00005585514372
                   +0 :              -0.00002959487261
                   +1 :               0.00008285793770
                4p
                   -1 :               0.00001456780324
                   +0 :               0.00000998843097
                   +1 :               0.00001446408470
                3d
                   -2 :              -0.00011533278813
                   -1 :               0.00004104722619
                   +0 :              -0.00004361184016
                   +1 :              -0.00002620315628
                   +2 :               0.00006042703716
              8 vec=     0.000000    -11.736681     -9.763130   |vec|=   15.266578
                2s
                   +0 :              -0.00035857249828
                2p
                   -1 :               0.00017727083518
                   +0 :               0.00013922681961
                   +1 :               0.00009378324081
                3s
                   +0 :               0.00114969525831
                4s
                   +0 :              -0.00024275268192
                3p
                   -1 :              -0.00086090349791
                   +0 :              -0.00066843776392
                   +1 :              -0.00056011750783
                4p
                   -1 :               0.00013041739021
                   +0 :               0.00013462736969
                   +1 :               0.00019489385375
                3d
                   -2 :               0.00005112006989
                   -1 :               0.00032174171074
                   +0 :              -0.00000281653865
                   +1 :               0.00001341691776
                   +2 :              -0.00019097372052
              9 vec=     0.000000      6.230835     14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00009001980628
                2p
                   -1 :              -0.00002622864693
                   +0 :              -0.00003156776440
                   +1 :              -0.00001570776046
                3s
                   +0 :               0.00041410321712
                4s
                   +0 :              -0.00012942357690
                3p
                   -1 :               0.00000313889141
                   +0 :               0.00017149955761
                   +1 :               0.00007896121176
                4p
                   -1 :              -0.00001940734789
                   +0 :              -0.00003765750245
                   +1 :              -0.00003408319163
                3d
                   -2 :               0.00000096213742
                   -1 :               0.00000030188588
                   +0 :               0.00000559195240
                   +1 :               0.00000657368897
                   +2 :              -0.00000636824898
             10 vec=    -7.780163     10.722714     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00008767318465
                2p
                   -1 :               0.00004410159334
                   +0 :               0.00000043357031
                   +1 :              -0.00008919151578
                3s
                   +0 :              -0.00019634067807
                4s
                   +0 :               0.00010661043723
                3p
                   -1 :              -0.00018524681669
                   +0 :              -0.00011027380705
                   +1 :               0.00033763091647
                4p
                   -1 :               0.00006551152917
                   +0 :               0.00004017682897
                   +1 :              -0.00007270654998
                3d
                   -2 :               0.00004784525980
                   -1 :              -0.00001013353057
                   +0 :               0.00002701699506
                   +1 :              -0.00004103478362
                   +2 :              -0.00003794019013
             11 vec=     7.780163     10.722714     -9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00002775122753
                2p
                   -1 :              -0.00000359083040
                   +0 :               0.00001942877483
                   +1 :              -0.00000372224171
                3s
                   +0 :               0.00025959807177
                4s
                   +0 :              -0.00005289789087
                3p
                   -1 :               0.00004862782260
                   +0 :              -0.00015040386360
                   +1 :               0.00013160109203
                4p
                   -1 :              -0.00000696771889
                   +0 :               0.00003211778073
                   +1 :              -0.00002042526789
                3d
                   -2 :               0.00001950678492
                   -1 :              -0.00001557053078
                   +0 :               0.00001399843101
                   +1 :              -0.00004461130827
                   +2 :               0.00003550258035
             12 vec=    -7.780163      1.738956     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00006184868996
                2p
                   -1 :              -0.00002072887791
                   +0 :              -0.00000120742417
                   +1 :               0.00000811462894
                3s
                   +0 :               0.00029948215861
                4s
                   +0 :              -0.00005719635181
                3p
                   -1 :               0.00004735169755
                   +0 :               0.00009884229169
                   +1 :              -0.00016921183960
                4p
                   -1 :              -0.00002394640836
                   +0 :               0.00001056488110
                   +1 :               0.00003384122144
                3d
                   -2 :               0.00001159846559
                   -1 :               0.00001035158084
                   +0 :              -0.00000489160279
                   +1 :              -0.00005579151435
                   +2 :               0.00007851697022
             13 vec=     7.780163      1.738956     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00002648227740
                2p
                   -1 :              -0.00001275258870
                   +0 :               0.00000513652196
                   +1 :               0.00004823477449
                3s
                   +0 :               0.00013165964843
                4s
                   +0 :               0.00000314458281
                3p
                   -1 :              -0.00004607849733
                   +0 :               0.00003629181728
                   +1 :              -0.00012224661559
                4p
                   -1 :              -0.00000878215533
                   +0 :               0.00003047018397
                   +1 :               0.00004415308069
                3d
                   -2 :              -0.00003721010880
                   -1 :              -0.00002749505997
                   +0 :              -0.00001626789176
                   +1 :               0.00000022335749
                   +2 :               0.00002589376823
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al(  9)  npairs=  15
              1 vec=    -2.593388      1.738956     10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00020941195340
                2p
                   -1 :               0.00011222538666
                   +0 :               0.00011547976221
                   +1 :              -0.00020192856681
                3s
                   +0 :              -0.00048270548376
                4s
                   +0 :               0.00017507204454
                3p
                   -1 :              -0.00101725203482
                   +0 :              -0.00070268364364
                   +1 :               0.00097055767206
                4p
                   -1 :               0.00017514828362
                   +0 :               0.00028799331771
                   +1 :              -0.00023064276807
                3d
                   -2 :              -0.00014686405800
                   -1 :              -0.00011912539985
                   +0 :              -0.00001511096074
                   +1 :               0.00022169456921
                   +2 :              -0.00004717185163
              2 vec=     5.186775     -2.752923     10.693319   |vec|=   12.199520
                2s
                   +0 :              -0.00039336083523
                2p
                   -1 :              -0.00007544406499
                   +0 :              -0.00014262139393
                   +1 :              -0.00025379877412
                3s
                   +0 :               0.00083141722310
                4s
                   +0 :              -0.00006755449908
                3p
                   -1 :               0.00057149799510
                   +0 :               0.00046667484528
                   +1 :               0.00119248144450
                4p
                   -1 :              -0.00001949049479
                   +0 :               0.00000487028925
                   +1 :              -0.00013243373424
                3d
                   -2 :              -0.00003682329883
                   -1 :               0.00018555776985
                   +0 :               0.00002867381100
                   +1 :               0.00030771760753
                   +2 :               0.00023603413102
              3 vec=    -2.593388     -7.244802     10.693319   |vec|=   13.174213
                2s
                   +0 :               0.00034648177627
                2p
                   -1 :              -0.00010438846796
                   +0 :               0.00011936483190
                   +1 :              -0.00018454209534
                3s
                   +0 :              -0.00131082752338
                4s
                   +0 :               0.00024387094566
                3p
                   -1 :               0.00050095924453
                   +0 :              -0.00073710740385
                   +1 :               0.00106943221593
                4p
                   -1 :               0.00003082449664
                   +0 :               0.00008504457179
                   +1 :              -0.00031672395276
                3d
                   -2 :              -0.00020088596405
                   -1 :               0.00015545683604
                   +0 :              -0.00009883898791
                   +1 :               0.00022912145683
                   +2 :              -0.00003432189962
              4 vec=     5.186775      6.230835     10.693319   |vec|=   13.419128
                2s
                   +0 :               0.00013579997092
                2p
                   -1 :              -0.00001642725544
                   +0 :               0.00013383443599
                   +1 :               0.00002583588843
                3s
                   +0 :               0.00109600892433
                4s
                   +0 :              -0.00016468952197
                3p
                   -1 :               0.00084006662939
                   +0 :               0.00054929718047
                   +1 :               0.00069804433648
                4p
                   -1 :              -0.00021377248201
                   +0 :              -0.00002935251478
                   +1 :               0.00002199252657
                3d
                   -2 :               0.00029690234998
                   -1 :               0.00011226285171
                   +0 :               0.00009513061709
                   +1 :               0.00030186493243
                   +2 :               0.00005787058545
              5 vec=    -2.593388      1.738956    -13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00006446449924
                2p
                   -1 :               0.00005027000983
                   +0 :              -0.00002833575686
                   +1 :              -0.00001337337461
                3s
                   +0 :              -0.00011128703407
                4s
                   +0 :               0.00002410618823
                3p
                   -1 :              -0.00022891391501
                   +0 :               0.00012945145641
                   +1 :               0.00009535074713
                4p
                   -1 :               0.00005450026350
                   +0 :              -0.00002108035461
                   +1 :               0.00001394022350
                3d
                   -2 :               0.00003231158074
                   -1 :              -0.00000626920371
                   +0 :              -0.00002110579039
                   +1 :               0.00001074418447
                   +2 :               0.00002963845318
              6 vec=     5.186775     -2.752923    -13.854224   |vec|=   15.047283
                2s
                   +0 :              -0.00000793029673
                2p
                   -1 :              -0.00000269747241
                   +0 :              -0.00002760493190
                   +1 :              -0.00003690869835
                3s
                   +0 :              -0.00007898307038
                4s
                   +0 :              -0.00000125739120
                3p
                   -1 :              -0.00004769544582
                   +0 :               0.00016861733845
                   +1 :               0.00015646447656
                4p
                   -1 :               0.00000753149373
                   +0 :              -0.00005044191953
                   +1 :              -0.00003370560188
                3d
                   -2 :              -0.00007830793290
                   -1 :              -0.00000438753160
                   +0 :              -0.00002037914071
                   +1 :               0.00006354801400
                   +2 :              -0.00004746773701
              7 vec=   -10.373550     -2.752923     10.693319   |vec|=   15.150452
                2s
                   +0 :               0.00006690318709
                2p
                   -1 :              -0.00006483861001
                   +0 :               0.00003045064690
                   +1 :              -0.00002625344050
                3s
                   +0 :              -0.00053585465241
                4s
                   +0 :               0.00020683450570
                3p
                   -1 :               0.00028168422485
                   +0 :              -0.00034190798539
                   +1 :               0.00034094565534
                4p
                   -1 :              -0.00010461493902
                   +0 :               0.00007281229205
                   +1 :              -0.00009890658509
                3d
                   -2 :              -0.00001996660346
                   -1 :               0.00002848110592
                   +0 :              -0.00006721359299
                   +1 :               0.00008740078876
                   +2 :              -0.00006344803460
              8 vec=    -2.593388     10.722714     10.693319   |vec|=   15.363897
                2s
                   +0 :               0.00003766574532
                2p
                   -1 :               0.00001891344952
                   +0 :               0.00005220906009
                   +1 :               0.00000892598186
                3s
                   +0 :               0.00000946502820
                4s
                   +0 :               0.00003962092806
                3p
                   -1 :              -0.00008910023795
                   +0 :              -0.00020622034612
                   +1 :              -0.00019230783236
                4p
                   -1 :               0.00002580370256
                   +0 :               0.00008303977490
                   +1 :               0.00003253561282
                3d
                   -2 :              -0.00003865949149
                   -1 :              -0.00003128632072
                   +0 :               0.00000230934630
                   +1 :              -0.00003242064472
                   +2 :               0.00003699001292
              9 vec=    -2.593388     -7.244802    -13.854224   |vec|=   15.847786
                2s
                   +0 :              -0.00005754009552
                2p
                   -1 :               0.00000230431759
                   +0 :               0.00002226382207
                   +1 :               0.00001737635958
                3s
                   +0 :               0.00008881100728
                4s
                   +0 :              -0.00001275602588
                3p
                   -1 :               0.00002336315925
                   +0 :              -0.00003984616489
                   +1 :               0.00000318326426
                4p
                   -1 :              -0.00000718585542
                   +0 :              -0.00000547478342
                   +1 :               0.00000883385808
                3d
                   -2 :               0.00001267478565
                   -1 :              -0.00001917781094
                   +0 :              -0.00000343202911
                   +1 :               0.00000199050940
                   +2 :              -0.00000937823451
             10 vec=     5.186775      6.230835    -13.854224   |vec|=   16.051961
                2s
                   +0 :              -0.00005043009817
                2p
                   -1 :               0.00000076194936
                   +0 :               0.00000042717820
                   +1 :               0.00000945635562
                3s
                   +0 :               0.00018517607792
                4s
                   +0 :              -0.00007737131796
                3p
                   -1 :              -0.00009665457817
                   +0 :              -0.00006020143800
                   +1 :              -0.00005944738420
                4p
                   -1 :               0.00001337668012
                   +0 :               0.00002311128481
                   +1 :               0.00000728061153
                3d
                   -2 :              -0.00002579972539
                   -1 :               0.00002937487084
                   +0 :               0.00004105347380
                   +1 :               0.00001287339620
                   +2 :               0.00000498768276
             11 vec=   -10.373550      6.230835     10.693319   |vec|=   16.148712
                2s
                   +0 :               0.00012077379962
                2p
                   -1 :               0.00005043630054
                   +0 :               0.00003024338046
                   +1 :              -0.00003929167449
                3s
                   +0 :              -0.00035279930303
                4s
                   +0 :               0.00010814704631
                3p
                   -1 :              -0.00022669185525
                   +0 :              -0.00011747882167
                   +1 :               0.00016372502376
                4p
                   -1 :               0.00005167415875
                   +0 :               0.00002593681439
                   +1 :              -0.00002531261323
                3d
                   -2 :               0.00003329448493
                   -1 :              -0.00002416141313
                   +0 :               0.00000765796374
                   +1 :               0.00001897765499
                   +2 :               0.00001464208343
             12 vec=     5.186775    -11.736681     10.693319   |vec|=   16.703274
                2s
                   +0 :              -0.00005304870198
                2p
                   -1 :               0.00003419622633
                   +0 :              -0.00006447109347
                   +1 :              -0.00002881205370
                3s
                   +0 :               0.00014082312089
                4s
                   +0 :              -0.00013941019648
                3p
                   -1 :              -0.00013480252942
                   +0 :               0.00028713294849
                   +1 :               0.00017465201339
                4p
                   -1 :               0.00006594164018
                   +0 :              -0.00011626342875
                   +1 :              -0.00005474266032
                3d
                   -2 :              -0.00007226613537
                   -1 :              -0.00002891546399
                   +0 :               0.00008363291499
                   +1 :               0.00003188795587
                   +2 :               0.00006506212703
             13 vec=    12.966938      1.738956     10.693319   |vec|=   16.897115
                2s
                   +0 :               0.00000533499550
                2p
                   -1 :              -0.00002486540452
                   +0 :               0.00000650617064
                   +1 :               0.00003960629644
                3s
                   +0 :               0.00000859224914
                4s
                   +0 :               0.00001859667888
                3p
                   -1 :               0.00019085177067
                   +0 :              -0.00002449762931
                   +1 :              -0.00022521314665
                4p
                   -1 :              -0.00007559601536
                   +0 :               0.00000278267419
                   +1 :               0.00009298006086
                3d
                   -2 :               0.00003555805782
                   -1 :              -0.00001677346192
                   +0 :               0.00002534385719
                   +1 :              -0.00004136773587
                   +2 :              -0.00005730847143
             14 vec=   -10.373550     -2.752923    -13.854224   |vec|=   17.525086
                2s
                   +0 :              -0.00005698384260
                2p
                   -1 :               0.00000624178337
                   +0 :               0.00000395797148
                   +1 :               0.00002194235953
                3s
                   +0 :               0.00008113247543
                4s
                   +0 :              -0.00001561258588
                3p
                   -1 :               0.00001687180755
                   +0 :               0.00004214187773
                   +1 :              -0.00002987156173
                4p
                   -1 :               0.00001437722568
                   +0 :              -0.00003851417577
                   +1 :               0.00000882632648
                3d
                   -2 :              -0.00000756305606
                   -1 :              -0.00000638671212
                   +0 :               0.00000041142291
                   +1 :               0.00001696743102
                   +2 :               0.00000513032498
             15 vec=    -2.593388     10.722714    -13.854224   |vec|=   17.709934
                2s
                   +0 :              -0.00000548384564
                2p
                   -1 :               0.00001612540015
                   +0 :              -0.00000701567202
                   +1 :               0.00000950196540
                3s
                   +0 :               0.00012961251818
                4s
                   +0 :               0.00000084779557
                3p
                   -1 :              -0.00002847096567
                   +0 :               0.00000260083032
                   +1 :              -0.00010773373963
                4p
                   -1 :               0.00002590049287
                   +0 :              -0.00000653402186
                   +1 :               0.00002265259802
                3d
                   -2 :              -0.00002105007441
                   -1 :               0.00000992404690
                   +0 :              -0.00001933381663
                   +1 :               0.00002283288204
                   +2 :              -0.00001207183224
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al( 10)  npairs=  13
              1 vec=    -2.593388      1.738956     -6.601898   |vec|=    7.303060
                2s
                   +0 :              -0.00315367788553
                2p
                   -1 :               0.00000748731859
                   +0 :               0.00148690356106
                   +1 :               0.00073106840216
                3s
                   +0 :               0.01063077046103
                4s
                   +0 :              -0.00415398430627
                3p
                   -1 :              -0.00497515382326
                   +0 :              -0.00443451843718
                   +1 :              -0.00583950133103
                4p
                   -1 :               0.00053761410590
                   +0 :               0.00157765421654
                   +1 :               0.00082984412446
                3d
                   -2 :               0.00074339327425
                   -1 :               0.00163577796870
                   +0 :              -0.00036452544598
                   +1 :               0.00061619355368
                   +2 :               0.00050651032909
              2 vec=     5.186775     -2.752923     -6.601898   |vec|=    8.835512
                2s
                   +0 :               0.00039746263457
                2p
                   -1 :              -0.00045703336259
                   +0 :              -0.00018607072072
                   +1 :              -0.00064980268671
                3s
                   +0 :              -0.00398547766877
                4s
                   +0 :              -0.00096043629858
                3p
                   -1 :               0.00356838383633
                   +0 :               0.00322249092536
                   +1 :               0.00233310425961
                4p
                   -1 :              -0.00073002528738
                   +0 :               0.00024873988616
                   +1 :              -0.00198216613786
                3d
                   -2 :               0.00113429917440
                   -1 :              -0.00103347211623
                   +0 :              -0.00035443051472
                   +1 :               0.00042937520828
                   +2 :               0.00120178980069
              3 vec=    -2.593388     -7.244802     -6.601898   |vec|=   10.138928
                2s
                   +0 :               0.00083759206365
                2p
                   -1 :              -0.00085596065676
                   +0 :               0.00000055219938
                   +1 :              -0.00007668572158
                3s
                   +0 :              -0.00514921557454
                4s
                   +0 :               0.00245934805174
                3p
                   -1 :               0.00581627271550
                   +0 :               0.00110710264245
                   +1 :               0.00030834957151
                4p
                   -1 :              -0.00189259869426
                   +0 :              -0.00060076146280
                   +1 :              -0.00043333888113
                3d
                   -2 :              -0.00045058450306
                   -1 :              -0.00071536284433
                   +0 :               0.00020759882967
                   +1 :               0.00023682367540
                   +2 :               0.00089100915368
              4 vec=     5.186775      6.230835     -6.601898   |vec|=   10.455190
                2s
                   +0 :              -0.00106459797686
                2p
                   -1 :              -0.00021914397815
                   +0 :               0.00036637680367
                   +1 :              -0.00003507339258
                3s
                   +0 :               0.00424611914197
                4s
                   +0 :              -0.00125783414322
                3p
                   -1 :               0.00099721138618
                   +0 :              -0.00176191962476
                   +1 :               0.00046473285732
                4p
                   -1 :              -0.00025462747233
                   +0 :               0.00045618597044
                   +1 :               0.00005443341711
                3d
                   -2 :               0.00005103856229
                   -1 :               0.00005106752969
                   +0 :               0.00058181514260
                   +1 :              -0.00016003019157
                   +2 :              -0.00033097258681
              5 vec=   -10.373550     -2.752923     -6.601898   |vec|=   12.600563
                2s
                   +0 :              -0.00044177721545
                2p
                   -1 :               0.00017068651864
                   +0 :               0.00028395944955
                   +1 :               0.00006216957764
                3s
                   +0 :               0.00198015079108
                4s
                   +0 :              -0.00081015742682
                3p
                   -1 :              -0.00109657259056
                   +0 :              -0.00168517045647
                   +1 :              -0.00052076776756
                4p
                   -1 :               0.00032421401606
                   +0 :               0.00045766052980
                   +1 :               0.00011294561383
                3d
                   -2 :               0.00011008131967
                   -1 :               0.00022782666614
                   +0 :               0.00012625048176
                   +1 :               0.00024919899521
                   +2 :              -0.00002027093596
              6 vec=    -2.593388     10.722714     -6.601898   |vec|=   12.856411
                2s
                   +0 :              -0.00024066483880
                2p
                   -1 :               0.00003335115203
                   +0 :               0.00007783399103
                   +1 :               0.00002757898361
                3s
                   +0 :               0.00170374844499
                4s
                   +0 :              -0.00025304977524
                3p
                   -1 :               0.00026209319254
                   +0 :              -0.00103264644718
                   +1 :              -0.00018259240983
                4p
                   -1 :               0.00013846551796
                   +0 :               0.00017340977693
                   +1 :               0.00016950330595
                3d
                   -2 :              -0.00011841737696
                   -1 :              -0.00026350218438
                   +0 :               0.00013429819724
                   +1 :               0.00001994251210
                   +2 :              -0.00012513782979
              7 vec=   -10.373550      6.230835     -6.601898   |vec|=   13.784734
                2s
                   +0 :              -0.00007913398360
                2p
                   -1 :              -0.00007922931761
                   +0 :              -0.00005672397911
                   +1 :               0.00006859508452
                3s
                   +0 :               0.00068860353126
                4s
                   +0 :              -0.00036954841335
                3p
                   -1 :               0.00050463831420
                   +0 :               0.00013920216776
                   +1 :              -0.00070764517605
                4p
                   -1 :              -0.00015690037052
                   +0 :               0.00003712947081
                   +1 :               0.00029413965270
                3d
                   -2 :              -0.00008687538489
                   -1 :               0.00013638820110
                   +0 :              -0.00001927485035
                   +1 :               0.00006903727895
                   +2 :               0.00007555157268
              8 vec=     5.186775    -11.736681     -6.601898   |vec|=   14.430432
                2s
                   +0 :               0.00019978782478
                2p
                   -1 :              -0.00002488524285
                   +0 :              -0.00015943321497
                   +1 :               0.00004632023845
                3s
                   +0 :              -0.00107025777776
                4s
                   +0 :               0.00035939700132
                3p
                   -1 :               0.00034147143196
                   +0 :               0.00087314547089
                   +1 :              -0.00035191796388
                4p
                   -1 :              -0.00009691672732
                   +0 :              -0.00017940665017
                   +1 :               0.00013014169636
                3d
                   -2 :               0.00002617273641
                   -1 :              -0.00007389119323
                   +0 :              -0.00005990442081
                   +1 :               0.00008638776053
                   +2 :               0.00002943053050
              9 vec=    12.966938      1.738956     -6.601898   |vec|=   14.654368
                2s
                   +0 :               0.00005488865481
                2p
                   -1 :               0.00001626979940
                   +0 :               0.00000673101439
                   +1 :               0.00000777249030
                3s
                   +0 :              -0.00010722820533
                4s
                   +0 :               0.00000653756712
                3p
                   -1 :              -0.00005914155602
                   +0 :              -0.00007337784450
                   +1 :              -0.00001957761088
                4p
                   -1 :              -0.00001746109966
                   +0 :               0.00003541492102
                   +1 :              -0.00000018259219
                3d
                   -2 :               0.00004850203351
                   -1 :               0.00005531309089
                   +0 :               0.00007543835534
                   +1 :               0.00001365341214
                   +2 :               0.00000776512955
             10 vec=    12.966938     -7.244802     -6.601898   |vec|=   16.254651
                2s
                   +0 :               0.00005961925247
                2p
                   -1 :              -0.00002343877088
                   +0 :              -0.00004879589231
                   +1 :               0.00001009660728
                3s
                   +0 :              -0.00024581147695
                4s
                   +0 :               0.00001944097776
                3p
                   -1 :               0.00011010034436
                   +0 :               0.00022544586830
                   +1 :              -0.00003479195047
                4p
                   -1 :               0.00000528606953
                   +0 :              -0.00003085557016
                   +1 :              -0.00001254198960
                3d
                   -2 :               0.00001930910101
                   -1 :              -0.00003729334903
                   +0 :              -0.00000654002471
                   +1 :               0.00004746143807
                   +2 :               0.00003370061666
             11 vec=   -10.373550    -11.736681     -6.601898   |vec|=   16.998390
                2s
                   +0 :               0.00006396560103
                2p
                   -1 :              -0.00001279350688
                   +0 :              -0.00001508578441
                   +1 :              -0.00000588091088
                3s
                   +0 :              -0.00042651509795
                4s
                   +0 :               0.00007883478816
                3p
                   -1 :               0.00009847280696
                   +0 :               0.00020228169036
                   +1 :               0.00012412672817
                4p
                   -1 :              -0.00001311924921
                   +0 :              -0.00003520499208
                   +1 :               0.00000684282981
                3d
                   -2 :              -0.00005923418302
                   -1 :              -0.00004288431774
                   +0 :              -0.00003612894724
                   +1 :              -0.00003873432224
                   +2 :               0.00001649718437
             12 vec=     5.186775     15.214593     -6.601898   |vec|=   17.377328
                2s
                   +0 :              -0.00003997663774
                2p
                   -1 :               0.00000738688930
                   +0 :               0.00001630373623
                   +1 :               0.00002856531551
                3s
                   +0 :               0.00029220553939
                4s
                   +0 :              -0.00005931758936
                3p
                   -1 :               0.00002403758992
                   +0 :              -0.00015960500143
                   +1 :              -0.00013510835232
                4p
                   -1 :               0.00000740494022
                   +0 :               0.00002497083488
                   +1 :               0.00004893777949
                3d
                   -2 :              -0.00002475218190
                   -1 :              -0.00002759270514
                   +0 :               0.00001274840638
                   +1 :               0.00000243473975
                   +2 :              -0.00002527429929
             13 vec=    -2.593388    -16.228560     -6.601898   |vec|=   17.710925
                2s
                   +0 :               0.00004154365143
                2p
                   -1 :              -0.00000472953369
                   +0 :               0.00000859591147
                   +1 :               0.00003506235777
                3s
                   +0 :              -0.00024491216665
                4s
                   +0 :               0.00008863311682
                3p
                   -1 :               0.00007450123061
                   +0 :              -0.00001722147024
                   +1 :              -0.00019291387886
                4p
                   -1 :              -0.00002814054922
                   +0 :              -0.00000019407003
                   +1 :               0.00006703528878
                3d
                   -2 :               0.00000059912325
                   -1 :               0.00002967790728
                   +0 :              -0.00002259697034
                   +1 :               0.00001717482882
                   +2 :               0.00000695558130
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al( 11)  npairs=  14
              1 vec=    -2.593388      1.738956      5.671873   |vec|=    6.474548
                2s
                   +0 :              -0.00097817794707
                2p
                   -1 :               0.00020217059130
                   +0 :              -0.00062682647313
                   +1 :               0.00062252260514
                3s
                   +0 :               0.00217946238645
                4s
                   +0 :              -0.00060135869054
                3p
                   -1 :              -0.00212468203840
                   +0 :               0.00359245768607
                   +1 :              -0.00223226234081
                4p
                   -1 :               0.00082434149378
                   +0 :              -0.00159599069740
                   +1 :              -0.00003761094056
                3d
                   -2 :              -0.00093937480255
                   -1 :               0.00180060558936
                   +0 :               0.00155357669987
                   +1 :               0.00034147973946
                   +2 :              -0.00089473567361
              2 vec=     5.186775     -2.752923      5.671873   |vec|=    8.164029
                2s
                   +0 :               0.00022291010542
                2p
                   -1 :              -0.00052344887604
                   +0 :               0.00079693094667
                   +1 :              -0.00036696384381
                3s
                   +0 :              -0.00211464711394
                4s
                   +0 :              -0.00086592352212
                3p
                   -1 :               0.00454713495854
                   +0 :              -0.00344769062850
                   +1 :               0.00225171408664
                4p
                   -1 :              -0.00085729472027
                   +0 :               0.00096730466321
                   +1 :              -0.00109402454764
                3d
                   -2 :               0.00123325028170
                   -1 :               0.00110504968794
                   +0 :               0.00043483750086
                   +1 :               0.00008791266366
                   +2 :               0.00110707568168
              3 vec=    -2.593388     -7.244802      5.671873   |vec|=    9.559444
                2s
                   +0 :              -0.00032374176642
                2p
                   -1 :              -0.00081419979961
                   +0 :              -0.00029717716187
                   +1 :               0.00042679064505
                3s
                   +0 :              -0.00030822080417
                4s
                   +0 :               0.00043805925726
                3p
                   -1 :               0.00503697706483
                   +0 :               0.00063775599292
                   +1 :              -0.00280849985449
                4p
                   -1 :              -0.00150520024091
                   +0 :              -0.00011215949168
                   +1 :               0.00067984644739
                3d
                   -2 :              -0.00035584722021
                   -1 :               0.00076748622052
                   +0 :              -0.00029332419668
                   +1 :              -0.00046609799608
                   +2 :               0.00066720645569
              4 vec=     5.186775      6.230835      5.671873   |vec|=    9.894245
                2s
                   +0 :               0.00206591140514
                2p
                   -1 :               0.00138435486182
                   +0 :               0.00015731489239
                   +1 :              -0.00021028502861
                3s
                   +0 :              -0.00581250336789
                4s
                   +0 :               0.00169458333577
                3p
                   -1 :              -0.00627845339647
                   +0 :               0.00046622780540
                   +1 :               0.00127207216468
                4p
                   -1 :               0.00139934917440
                   +0 :              -0.00062640368199
                   +1 :              -0.00009933409908
                3d
                   -2 :               0.00026540083565
                   -1 :              -0.00049846268210
                   +0 :               0.00064782988414
                   +1 :               0.00035847595925
                   +2 :               0.00110503959855
              5 vec=   -10.373550     -2.752923      5.671873   |vec|=   12.139163
                2s
                   +0 :              -0.00006747890720
                2p
                   -1 :              -0.00004254580584
                   +0 :              -0.00012711751062
                   +1 :               0.00014634234183
                3s
                   +0 :               0.00034070702908
                4s
                   +0 :              -0.00033451602931
                3p
                   -1 :               0.00040131555965
                   +0 :               0.00013925284639
                   +1 :              -0.00108219780350
                4p
                   -1 :              -0.00009090878654
                   +0 :              -0.00004775306798
                   +1 :               0.00044765023481
                3d
                   -2 :              -0.00005894579727
                   -1 :               0.00009508140570
                   +0 :              -0.00007571990551
                   +1 :              -0.00004327680594
                   +2 :               0.00020905871178
              6 vec=    -2.593388     10.722714      5.671873   |vec|=   12.404532
                2s
                   +0 :               0.00018383060982
                2p
                   -1 :               0.00016821377065
                   +0 :               0.00006744307601
                   +1 :              -0.00010464321099
                3s
                   +0 :              -0.00005125912158
                4s
                   +0 :               0.00020396849181
                3p
                   -1 :              -0.00011951320978
                   +0 :              -0.00010549564113
                   +1 :               0.00075818250017
                4p
                   -1 :               0.00012576426362
                   +0 :              -0.00000319843872
                   +1 :              -0.00016561639332
                3d
                   -2 :               0.00020545366948
                   -1 :              -0.00015709176693
                   +0 :              -0.00007380309542
                   +1 :               0.00015125655621
                   +2 :              -0.00000093913202
              7 vec=   -10.373550      6.230835      5.671873   |vec|=   13.364281
                2s
                   +0 :               0.00011983678339
                2p
                   -1 :               0.00000970087042
                   +0 :               0.00003716306932
                   +1 :              -0.00000087152729
                3s
                   +0 :              -0.00038266024806
                4s
                   +0 :               0.00009653181546
                3p
                   -1 :              -0.00014828847880
                   +0 :              -0.00013065918897
                   +1 :               0.00004305071531
                4p
                   -1 :               0.00002876504783
                   +0 :              -0.00004868048289
                   +1 :              -0.00002761735894
                3d
                   -2 :              -0.00001490489628
                   -1 :              -0.00000014546166
                   +0 :               0.00005716738688
                   +1 :               0.00003174986797
                   +2 :               0.00010159989684
              8 vec=     5.186775    -11.736681      5.671873   |vec|=   14.029343
                2s
                   +0 :              -0.00042119862718
                2p
                   -1 :               0.00010130774790
                   +0 :              -0.00010326925848
                   +1 :              -0.00016661882708
                3s
                   +0 :               0.00084077307194
                4s
                   +0 :              -0.00012025726185
                3p
                   -1 :              -0.00016500903237
                   +0 :               0.00040724532873
                   +1 :               0.00040164627554
                4p
                   -1 :              -0.00005884772302
                   +0 :              -0.00011311877825
                   +1 :              -0.00004497505055
                3d
                   -2 :              -0.00005328068030
                   -1 :              -0.00012991398541
                   +0 :              -0.00002785108280
                   +1 :               0.00016219449186
                   +2 :               0.00000781102473
              9 vec=    12.966938      1.738956      5.671873   |vec|=   14.259579
                2s
                   +0 :               0.00008398785946
                2p
                   -1 :               0.00006169633755
                   +0 :               0.00001969731986
                   +1 :               0.00002853606956
                3s
                   +0 :              -0.00044374907374
                4s
                   +0 :               0.00023804051501
                3p
                   -1 :              -0.00046148676807
                   +0 :              -0.00004558380837
                   +1 :              -0.00026536461329
                4p
                   -1 :               0.00013654522882
                   +0 :               0.00004928772688
                   +1 :               0.00013688003917
                3d
                   -2 :              -0.00004766478963
                   -1 :              -0.00003422978169
                   +0 :               0.00006941862993
                   +1 :               0.00004680076757
                   +2 :               0.00009339310328
             10 vec=    12.966938     -7.244802      5.671873   |vec|=   15.899647
                2s
                   +0 :              -0.00002090734476
                2p
                   -1 :               0.00003231893714
                   +0 :               0.00004405045008
                   +1 :              -0.00000495586085
                3s
                   +0 :               0.00003887817572
                4s
                   +0 :              -0.00005660616667
                3p
                   -1 :              -0.00014393172983
                   +0 :              -0.00026557296425
                   +1 :              -0.00001911594396
                4p
                   -1 :               0.00004882126649
                   +0 :               0.00008193430043
                   +1 :              -0.00000599958743
                3d
                   -2 :              -0.00000642921467
                   -1 :              -0.00003007955282
                   +0 :              -0.00000586930882
                   +1 :              -0.00004084067442
                   +2 :              -0.00002845491973
             11 vec=   -10.373550    -11.736681      5.671873   |vec|=   16.659243
                2s
                   +0 :              -0.00006228760772
                2p
                   -1 :               0.00003788792413
                   +0 :              -0.00005850199059
                   +1 :               0.00005350436768
                3s
                   +0 :               0.00005657678647
                4s
                   +0 :              -0.00001162287837
                3p
                   -1 :              -0.00012578483447
                   +0 :               0.00027142523277
                   +1 :              -0.00016856007094
                4p
                   -1 :               0.00002019367577
                   +0 :              -0.00004002999326
                   +1 :               0.00003720335802
                3d
                   -2 :               0.00007270725207
                   -1 :              -0.00008304108277
                   +0 :               0.00001190500772
                   +1 :              -0.00008950336995
                   +2 :               0.00001792975967
             12 vec=     5.186775     15.214593      5.671873   |vec|=   17.045722
                2s
                   +0 :               0.00011554339445
                2p
                   -1 :               0.00008452450552
                   +0 :               0.00003430049118
                   +1 :              -0.00003031983620
                3s
                   +0 :              -0.00031422807221
                4s
                   +0 :               0.00014335108331
                3p
                   -1 :              -0.00041374394098
                   +0 :              -0.00013539199517
                   +1 :               0.00012922344659
                4p
                   -1 :               0.00011497825588
                   +0 :               0.00003134567077
                   +1 :              -0.00002625483489
                3d
                   -2 :               0.00001287797818
                   -1 :              -0.00009345652808
                   +0 :               0.00000976819495
                   +1 :               0.00001640561302
                   +2 :               0.00006577014344
             13 vec=    -2.593388    -16.228560      5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00001903607605
                2p
                   -1 :              -0.00002994941960
                   +0 :              -0.00001164233200
                   +1 :              -0.00001630188760
                3s
                   +0 :              -0.00013141292364
                4s
                   +0 :               0.00006902530471
                3p
                   -1 :               0.00016355902746
                   +0 :              -0.00000274399655
                   +1 :               0.00009341356423
                4p
                   -1 :              -0.00006019062999
                   +0 :               0.00002299158512
                   +1 :              -0.00002200739703
                3d
                   -2 :              -0.00000203286083
                   -1 :               0.00001070198754
                   +0 :              -0.00003315667092
                   +1 :               0.00001206774089
                   +2 :               0.00001541271801
             14 vec=    12.966938     10.722714      5.671873   |vec|=   17.756357
                2s
                   +0 :              -0.00001722913998
                2p
                   -1 :              -0.00000091963688
                   +0 :              -0.00000772206085
                   +1 :               0.00000118313281
                3s
                   +0 :               0.00008290226275
                4s
                   +0 :              -0.00002070296958
                3p
                   -1 :               0.00002367471857
                   +0 :              -0.00000222678473
                   +1 :              -0.00001593824700
                4p
                   -1 :              -0.00001592582882
                   +0 :               0.00002402854443
                   +1 :               0.00001968155175
                3d
                   -2 :              -0.00004399093165
                   -1 :              -0.00002436561979
                   +0 :               0.00000372295473
                   +1 :               0.00002128059533
                   +2 :               0.00004403866425
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site Al( 12)  npairs=  14
              1 vec=    -2.593388      1.738956     -1.580453   |vec|=    3.499637
                2s
                   +0 :               0.02405958444924
                2p
                   -1 :               0.00692946783104
                   +0 :              -0.01572513814142
                   +1 :              -0.02324194166889
                3s
                   +0 :               0.06833300691400
                4s
                   +0 :               0.00515839271983
                3p
                   -1 :               0.00277697559683
                   +0 :              -0.02827211489750
                   +1 :              -0.05279132815626
                4p
                   -1 :               0.00332852779332
                   +0 :              -0.00720253959247
                   +1 :              -0.01148935423246
                3d
                   -2 :              -0.01120874561605
                   -1 :              -0.00600490880518
                   +0 :               0.00079701649230
                   +1 :               0.03663650778201
                   +2 :               0.03452315234486
              2 vec=     5.186775     -2.752923     -1.580453   |vec|=    6.081040
                2s
                   +0 :               0.00291085320129
                2p
                   -1 :              -0.00109812881081
                   +0 :              -0.00005962118199
                   +1 :               0.00289518671186
                3s
                   +0 :              -0.00757117111839
                4s
                   +0 :               0.00443609394399
                3p
                   -1 :               0.00369938438475
                   +0 :              -0.00114989618473
                   +1 :              -0.00887362588560
                4p
                   -1 :              -0.00084356253049
                   +0 :               0.00030155752422
                   +1 :               0.00382460085105
                3d
                   -2 :               0.00180738830434
                   -1 :              -0.00049414568861
                   +0 :               0.00129885556137
                   +1 :               0.00018137027081
                   +2 :               0.00237888813452
              3 vec=    -2.593388     -7.244802     -1.580453   |vec|=    7.855612
                2s
                   +0 :               0.00011760678932
                2p
                   -1 :              -0.00050422297067
                   +0 :               0.00011957947570
                   +1 :              -0.00043826987365
                3s
                   +0 :              -0.01283176275860
                4s
                   +0 :               0.00016786074075
                3p
                   -1 :               0.00697900109327
                   +0 :               0.00786965974712
                   +1 :              -0.00394853519151
                4p
                   -1 :              -0.00014094615047
                   +0 :              -0.00023736075304
                   +1 :              -0.00017618749313
                3d
                   -2 :               0.00285419799480
                   -1 :              -0.00302731362671
                   +0 :              -0.00105802287945
                   +1 :               0.00087424966328
                   +2 :               0.00163666923994
              4 vec=     5.186775      6.230835     -1.580453   |vec|=    8.259768
                2s
                   +0 :              -0.00034490407682
                2p
                   -1 :               0.00090028186091
                   +0 :               0.00006332050144
                   +1 :              -0.00003394554282
                3s
                   +0 :               0.00825013703291
                4s
                   +0 :              -0.00086833853403
                3p
                   -1 :              -0.00650711517508
                   +0 :              -0.00579263409800
                   +1 :               0.00563601420333
                4p
                   -1 :               0.00112242038435
                   +0 :               0.00054591176354
                   +1 :              -0.00020232831084
                3d
                   -2 :              -0.00179849752347
                   -1 :               0.00070262236611
                   +0 :               0.00095814831018
                   +1 :              -0.00329567950266
                   +2 :               0.00233823259357
              5 vec=   -10.373550     -2.752923     -1.580453   |vec|=   10.848362
                2s
                   +0 :              -0.00009586383036
                2p
                   -1 :               0.00014742107896
                   +0 :              -0.00019699964490
                   +1 :               0.00014100282951
                3s
                   +0 :              -0.00116692785964
                4s
                   +0 :               0.00009208277113
                3p
                   -1 :              -0.00134436253130
                   +0 :               0.00121299309790
                   +1 :               0.00037807939815
                4p
                   -1 :               0.00007511599078
                   +0 :              -0.00006932328345
                   +1 :               0.00000482162723
                3d
                   -2 :               0.00030551886210
                   -1 :               0.00026197546751
                   +0 :              -0.00000515938091
                   +1 :              -0.00024293828425
                   +2 :               0.00036098823512
              6 vec=    -2.593388     10.722714     -1.580453   |vec|=   11.144509
                2s
                   +0 :              -0.00046277303489
                2p
                   -1 :              -0.00024293330365
                   +0 :               0.00001534222923
                   +1 :              -0.00019152136366
                3s
                   +0 :               0.00343887066127
                4s
                   +0 :              -0.00108309208330
                3p
                   -1 :               0.00267252584682
                   +0 :              -0.00089316558611
                   +1 :               0.00032748963773
                4p
                   -1 :              -0.00063258586554
                   +0 :               0.00013532281625
                   +1 :              -0.00028259916099
                3d
                   -2 :               0.00034326238473
                   -1 :              -0.00042461736120
                   +0 :              -0.00010475448878
                   +1 :               0.00022373116484
                   +2 :              -0.00057928250371
              7 vec=   -10.373550      6.230835     -1.580453   |vec|=   12.203757
                2s
                   +0 :              -0.00023727210295
                2p
                   -1 :              -0.00010962475599
                   +0 :               0.00016722936224
                   +1 :               0.00014261838708
                3s
                   +0 :               0.00065606280456
                4s
                   +0 :              -0.00007493779336
                3p
                   -1 :               0.00073518110343
                   +0 :              -0.00079374544339
                   +1 :              -0.00054190836559
                4p
                   -1 :              -0.00017339016623
                   +0 :               0.00010805998177
                   +1 :               0.00011592334603
                3d
                   -2 :              -0.00026792736946
                   -1 :              -0.00004272625721
                   +0 :              -0.00011344283974
                   +1 :               0.00012277969983
                   +2 :              -0.00014534410040
              8 vec=     5.186775    -11.736681     -1.580453   |vec|=   12.928656
                2s
                   +0 :               0.00028318521877
                2p
                   -1 :               0.00021016522396
                   +0 :               0.00014623063681
                   +1 :               0.00006181097782
                3s
                   +0 :              -0.00254734147760
                4s
                   +0 :               0.00031698824602
                3p
                   -1 :               0.00020122105854
                   +0 :               0.00085900822856
                   +1 :               0.00065177593650
                4p
                   -1 :               0.00023599083912
                   +0 :              -0.00002876583077
                   +1 :               0.00006130947523
                3d
                   -2 :              -0.00054563044615
                   -1 :              -0.00052906631200
                   +0 :              -0.00019725424068
                   +1 :              -0.00042225191182
                   +2 :              -0.00012669729143
              9 vec=    12.966938      1.738956     -1.580453   |vec|=   13.178136
                2s
                   +0 :              -0.00025406628490
                2p
                   -1 :               0.00003770018274
                   +0 :               0.00007023749569
                   +1 :              -0.00002772595849
                3s
                   +0 :               0.00117563295229
                4s
                   +0 :              -0.00010754303178
                3p
                   -1 :               0.00006641886797
                   +0 :              -0.00074803443514
                   +1 :               0.00028515163258
                4p
                   -1 :               0.00006830283220
                   +0 :               0.00016781785105
                   +1 :               0.00008514081074
                3d
                   -2 :               0.00006432825617
                   -1 :              -0.00016862323154
                   +0 :               0.00010206335577
                   +1 :              -0.00031696806197
                   +2 :              -0.00004524558737
             10 vec=    12.966938     -7.244802     -1.580453   |vec|=   14.937418
                2s
                   +0 :               0.00013941435304
                2p
                   -1 :              -0.00005277845664
                   +0 :               0.00001523392011
                   +1 :               0.00004497859654
                3s
                   +0 :              -0.00081813558166
                4s
                   +0 :               0.00029099451645
                3p
                   -1 :               0.00021063365744
                   +0 :               0.00005500681393
                   +1 :              -0.00051366557308
                4p
                   -1 :              -0.00009998499941
                   +0 :               0.00001549626027
                   +1 :               0.00014683729004
                3d
                   -2 :               0.00003299707373
                   -1 :               0.00005363640082
                   +0 :              -0.00002249347956
                   +1 :               0.00005809215210
                   +2 :              -0.00002270528629
             11 vec=   -10.373550    -11.736681     -1.580453   |vec|=   15.743508
                2s
                   +0 :               0.00014056052866
                2p
                   -1 :              -0.00008656140415
                   +0 :              -0.00004687628035
                   +1 :              -0.00004470117163
                3s
                   +0 :              -0.00045568571284
                4s
                   +0 :               0.00018839356492
                3p
                   -1 :               0.00035587410009
                   +0 :               0.00030736987736
                   +1 :               0.00031013612436
                4p
                   -1 :              -0.00006781510064
                   +0 :              -0.00008293368438
                   +1 :              -0.00008532975043
                3d
                   -2 :              -0.00010586814923
                   -1 :              -0.00006364537797
                   +0 :               0.00008730801723
                   +1 :              -0.00008904404547
                   +2 :              -0.00005615612062
             12 vec=     5.186775     15.214593     -1.580453   |vec|=   16.151913
                2s
                   +0 :              -0.00006316528350
                2p
                   -1 :               0.00001906963685
                   +0 :              -0.00001089582235
                   +1 :              -0.00003010639421
                3s
                   +0 :               0.00024340718970
                4s
                   +0 :               0.00002257425118
                3p
                   -1 :              -0.00025433789967
                   +0 :              -0.00000491057491
                   +1 :               0.00019829832957
                4p
                   -1 :               0.00013177392671
                   +0 :              -0.00001978470098
                   +1 :              -0.00004764152066
                3d
                   -2 :               0.00007005823883
                   -1 :               0.00000287987981
                   +0 :              -0.00001614086410
                   +1 :              -0.00005227941517
                   +2 :               0.00006365197473
             13 vec=    -2.593388    -16.228560     -1.580453   |vec|=   16.510289
                2s
                   +0 :               0.00007287164808
                2p
                   -1 :              -0.00002013618347
                   +0 :              -0.00002384405336
                   +1 :               0.00002087543565
                3s
                   +0 :              -0.00037928962448
                4s
                   +0 :               0.00005795850112
                3p
                   -1 :               0.00011200249422
                   +0 :               0.00020827793975
                   +1 :              -0.00009869776524
                4p
                   -1 :              -0.00000876182377
                   +0 :              -0.00001602943027
                   +1 :               0.00000789111798
                3d
                   -2 :               0.00001193198404
                   -1 :              -0.00008734254505
                   +0 :              -0.00002025230180
                   +1 :               0.00004716719696
                   +2 :               0.00000639333544
             14 vec=    12.966938     10.722714     -1.580453   |vec|=   16.900175
                2s
                   +0 :               0.00001039394015
                2p
                   -1 :              -0.00001598019822
                   +0 :              -0.00001467580609
                   +1 :               0.00000360947335
                3s
                   +0 :               0.00015073605683
                4s
                   +0 :              -0.00007188848262
                3p
                   -1 :               0.00017926719194
                   +0 :               0.00000375284243
                   +1 :               0.00007289119742
                4p
                   -1 :              -0.00003627880247
                   +0 :              -0.00001188405964
                   +1 :              -0.00005137405714
                3d
                   -2 :               0.00003037973118
                   -1 :              -0.00003421849894
                   +0 :              -0.00000023086414
                   +1 :               0.00001119563496
                   +2 :              -0.00001576745094
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 13)  npairs=  15
              1 vec=     4.977229      0.362644     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00041474990500
                2s
                   +0 :              -0.00306048774510
                3s
                   +0 :               0.00098120234909
                2p
                   -1 :              -0.00087023084972
                   +0 :               0.00322215037808
                   +1 :              -0.00041699171607
                3p
                   -1 :              -0.00011952995191
                   +0 :              -0.00107684808997
                   +1 :              -0.00043835931239
                3d
                   -2 :              -0.00018040708211
                   -1 :               0.00005249251372
                   +0 :              -0.00001320098214
                   +1 :               0.00004405338852
                   +2 :              -0.00001721535908
              2 vec=    -2.802933     -4.129235     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00013036479820
                2s
                   +0 :              -0.00082033380781
                3s
                   +0 :               0.00016583713575
                2p
                   -1 :              -0.00260004638597
                   +0 :               0.00090947209198
                   +1 :               0.00102765638155
                3p
                   -1 :               0.00224413446780
                   +0 :              -0.00079553650333
                   +1 :              -0.00137175343872
                3d
                   -2 :               0.00001618069572
                   -1 :              -0.00016516742995
                   +0 :               0.00000000548990
                   +1 :               0.00013322651516
                   +2 :               0.00000116402951
              3 vec=    -2.802933      4.854523     -8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00028685126210
                2s
                   +0 :               0.00230641785957
                3s
                   +0 :              -0.00042122063665
                2p
                   -1 :               0.00182055280932
                   +0 :              -0.00213782733185
                   +1 :              -0.00347176102566
                3p
                   -1 :              -0.00090237135357
                   +0 :              -0.00026655943472
                   +1 :               0.00139532712132
                3d
                   -2 :               0.00001717441272
                   -1 :               0.00011966580054
                   +0 :               0.00006860394552
                   +1 :               0.00004218727991
                   +2 :               0.00011434343812
              4 vec=     4.977229     -8.621114     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00012106803331
                2s
                   +0 :              -0.00105419426406
                3s
                   +0 :               0.00038810148030
                2p
                   -1 :               0.00050809581159
                   +0 :               0.00026703091098
                   +1 :               0.00016902427706
                3p
                   -1 :              -0.00035748829503
                   +0 :              -0.00005712355992
                   +1 :              -0.00011960025089
                3d
                   -2 :              -0.00002492180820
                   -1 :               0.00004009825519
                   +0 :              -0.00002212236930
                   +1 :              -0.00001087244546
                   +2 :              -0.00004546188434
              5 vec=     4.977229      9.346402     -8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00006502154604
                2s
                   +0 :               0.00086444865557
                3s
                   +0 :              -0.00016413282353
                2p
                   -1 :               0.00025407377641
                   +0 :              -0.00037478734662
                   +1 :               0.00010954889693
                3p
                   -1 :              -0.00003121958196
                   +0 :               0.00017273282784
                   +1 :               0.00011401550852
                3d
                   -2 :               0.00002673600279
                   -1 :               0.00001619576503
                   +0 :              -0.00000919692677
                   +1 :              -0.00000192958813
                   +2 :               0.00001435712540
              6 vec=   -10.583096      0.362644     -8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00004356919559
                2s
                   +0 :               0.00018392194024
                3s
                   +0 :              -0.00008772051164
                2p
                   -1 :               0.00022131840810
                   +0 :              -0.00016977742635
                   +1 :              -0.00003314613412
                3p
                   -1 :              -0.00024785851739
                   +0 :               0.00004001149279
                   +1 :               0.00004462453934
                3d
                   -2 :               0.00000970283776
                   -1 :               0.00005744591555
                   +0 :              -0.00003212732339
                   +1 :               0.00001583409259
                   +2 :              -0.00000558787558
              7 vec=    12.757392     -4.129235     -8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00003347602203
                2s
                   +0 :              -0.00026370237795
                3s
                   +0 :               0.00010750100516
                2p
                   -1 :               0.00008028378227
                   +0 :               0.00004513050745
                   +1 :              -0.00015132985886
                3p
                   -1 :              -0.00008457837126
                   +0 :              -0.00008956816715
                   +1 :               0.00005327860291
                3d
                   -2 :              -0.00000324975086
                   -1 :               0.00001363123007
                   +0 :               0.00000852857095
                   +1 :              -0.00000653339060
                   +2 :              -0.00000676119129
              8 vec=    -2.802933    -13.112993     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00001267871684
                2s
                   +0 :              -0.00012362036965
                3s
                   +0 :              -0.00000679211201
                2p
                   -1 :              -0.00003987115682
                   +0 :              -0.00000022158725
                   +1 :              -0.00005113993103
                3p
                   -1 :               0.00013014878063
                   +0 :               0.00010261181136
                   +1 :               0.00003459900339
                3d
                   -2 :              -0.00001418290399
                   -1 :              -0.00000481447709
                   +0 :              -0.00000439690392
                   +1 :              -0.00001979269202
                   +2 :              -0.00001355005131
              9 vec=    12.757392      4.854523     -8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00001447182537
                2s
                   +0 :              -0.00005614382999
                3s
                   +0 :               0.00005263419228
                2p
                   -1 :              -0.00004018458442
                   +0 :               0.00004368837202
                   +1 :              -0.00002072989921
                3p
                   -1 :               0.00003576853024
                   +0 :              -0.00001917045084
                   +1 :               0.00004438042558
                3d
                   -2 :               0.00000021891139
                   -1 :              -0.00000261975539
                   +0 :               0.00000210274535
                   +1 :              -0.00000243448082
                   +2 :               0.00000115023894
             10 vec=   -10.583096     -8.621114     -8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00002392704720
                2s
                   +0 :              -0.00016735524982
                3s
                   +0 :               0.00005059614191
                2p
                   -1 :              -0.00003869299458
                   +0 :               0.00008719241228
                   +1 :               0.00025924970497
                3p
                   -1 :               0.00003698546399
                   +0 :               0.00005384396841
                   +1 :              -0.00014270694834
                3d
                   -2 :               0.00000446998215
                   -1 :              -0.00001273677901
                   +0 :               0.00000048301774
                   +1 :              -0.00000455164381
                   +2 :               0.00001149233673
             11 vec=    -2.802933     13.838281     -8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00002008755531
                2s
                   +0 :               0.00016932625652
                3s
                   +0 :              -0.00003547583636
                2p
                   -1 :               0.00022059657927
                   +0 :              -0.00016213185356
                   +1 :              -0.00014350754179
                3p
                   -1 :              -0.00007642229236
                   +0 :               0.00005774594999
                   +1 :               0.00010390832350
                3d
                   -2 :               0.00000622682806
                   -1 :               0.00000790509428
                   +0 :              -0.00000076782736
                   +1 :              -0.00000656240748
                   +2 :               0.00000426901410
             12 vec=   -10.583096      9.346402     -8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00000042977747
                2s
                   +0 :               0.00002462813509
                3s
                   +0 :               0.00001705362247
                2p
                   -1 :              -0.00004040884479
                   +0 :               0.00002485305258
                   +1 :              -0.00015513791515
                3p
                   -1 :               0.00006425947382
                   +0 :              -0.00008646353306
                   +1 :               0.00004925085044
                3d
                   -2 :               0.00000481023851
                   -1 :              -0.00000407232463
                   +0 :               0.00000352403098
                   +1 :              -0.00000466717922
                   +2 :               0.00000132472992
             13 vec=     4.977229      0.362644     16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00001082736110
                2s
                   +0 :              -0.00007888106901
                3s
                   +0 :               0.00003474165626
                2p
                   -1 :               0.00000033286036
                   +0 :              -0.00008096980294
                   +1 :              -0.00002872663478
                3p
                   -1 :              -0.00002612770366
                   +0 :               0.00005379852724
                   +1 :               0.00001284566739
                3d
                   -2 :               0.00000018445154
                   -1 :              -0.00000636654615
                   +0 :               0.00000572680183
                   +1 :               0.00000429093218
                   +2 :               0.00000113817330
             14 vec=    -2.802933     -4.129235     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00000590804015
                2s
                   +0 :               0.00004951816032
                3s
                   +0 :              -0.00002100749411
                2p
                   -1 :              -0.00006931422485
                   +0 :               0.00005375168000
                   +1 :               0.00000234398093
                3p
                   -1 :               0.00004674964246
                   +0 :              -0.00002818513266
                   +1 :               0.00001328007739
                3d
                   -2 :               0.00000134049896
                   -1 :               0.00000321874653
                   +0 :               0.00000554408457
                   +1 :              -0.00000439326917
                   +2 :              -0.00000167415332
             15 vec=    -2.802933      4.854523     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000346380101
                2s
                   +0 :              -0.00000519187571
                3s
                   +0 :              -0.00000526949620
                2p
                   -1 :              -0.00004402412896
                   +0 :               0.00002890724736
                   +1 :              -0.00010089208251
                3p
                   -1 :               0.00003187410645
                   +0 :              -0.00004569749351
                   +1 :               0.00005381562613
                3d
                   -2 :               0.00000254601023
                   -1 :               0.00000238052648
                   +0 :              -0.00000176194146
                   +1 :              -0.00000117079647
                   +2 :              -0.00000556100555
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 14)  npairs=  14
              1 vec=     0.209546      0.362644     -8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00025156286203
                2s
                   +0 :               0.00153088868085
                3s
                   +0 :              -0.00045112560067
                2p
                   -1 :              -0.00287115627213
                   +0 :              -0.00166000735741
                   +1 :               0.00182726783809
                3p
                   -1 :               0.00130439188014
                   +0 :               0.00087317286078
                   +1 :              -0.00159361898603
                3d
                   -2 :               0.00001771805911
                   -1 :              -0.00008133557885
                   +0 :              -0.00004328461570
                   +1 :               0.00012036738983
                   +2 :              -0.00008840061447
              2 vec=    -7.570617     -4.129235     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00008513341038
                2s
                   +0 :               0.00025817530254
                3s
                   +0 :              -0.00038823648965
                2p
                   -1 :              -0.00038075274412
                   +0 :               0.00014902590323
                   +1 :              -0.00017594687769
                3p
                   -1 :               0.00009123929879
                   +0 :               0.00022027929912
                   +1 :               0.00045887621713
                3d
                   -2 :               0.00002978254206
                   -1 :               0.00003916340427
                   +0 :               0.00001498526953
                   +1 :              -0.00005771222762
                   +2 :              -0.00004780990626
              3 vec=     0.209546     -8.621114     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00014676731035
                2s
                   +0 :               0.00082020605574
                3s
                   +0 :              -0.00040050220297
                2p
                   -1 :               0.00140786148747
                   +0 :              -0.00042302501572
                   +1 :              -0.00009524762562
                3p
                   -1 :              -0.00136227411248
                   +0 :               0.00026795649508
                   +1 :               0.00006591578708
                3d
                   -2 :              -0.00001351169231
                   -1 :               0.00007030864391
                   +0 :              -0.00003728981301
                   +1 :              -0.00008461853338
                   +2 :              -0.00009580016962
              4 vec=    -7.570617      4.854523     -8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00019332662484
                2s
                   +0 :              -0.00107580867868
                3s
                   +0 :               0.00078158415739
                2p
                   -1 :               0.00007654354316
                   +0 :               0.00046868010219
                   +1 :               0.00112280372893
                3p
                   -1 :              -0.00012611412989
                   +0 :              -0.00046896867738
                   +1 :              -0.00118345407290
                3d
                   -2 :              -0.00001658914584
                   -1 :              -0.00002359557166
                   +0 :               0.00006102598760
                   +1 :               0.00012706302642
                   +2 :               0.00010561694434
              5 vec=     7.989708     -4.129235     -8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00004861505721
                2s
                   +0 :              -0.00044591380797
                3s
                   +0 :               0.00005065815918
                2p
                   -1 :               0.00019803865846
                   +0 :               0.00050177177365
                   +1 :              -0.00083165404966
                3p
                   -1 :              -0.00046350180436
                   +0 :              -0.00012087705284
                   +1 :               0.00029462767006
                3d
                   -2 :              -0.00000072522400
                   -1 :               0.00001358927399
                   +0 :              -0.00000840533414
                   +1 :              -0.00001246642328
                   +2 :              -0.00005716321857
              6 vec=     0.209546      9.346402     -8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00005824134603
                2s
                   +0 :               0.00080556737650
                3s
                   +0 :              -0.00012193901931
                2p
                   -1 :               0.00067022580441
                   +0 :              -0.00062675610270
                   +1 :               0.00019713775185
                3p
                   -1 :              -0.00026856308359
                   +0 :               0.00002439896822
                   +1 :              -0.00011318785818
                3d
                   -2 :              -0.00001196322108
                   -1 :              -0.00001315746591
                   +0 :               0.00004643405230
                   +1 :               0.00003983535526
                   +2 :               0.00002854047255
              7 vec=     7.989708      4.854523     -8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00002415939429
                2s
                   +0 :               0.00018854477753
                3s
                   +0 :              -0.00007794889170
                2p
                   -1 :              -0.00030890970278
                   +0 :              -0.00047507547350
                   +1 :               0.00059957192810
                3p
                   -1 :               0.00016623828883
                   +0 :               0.00036339002105
                   +1 :              -0.00035655424939
                3d
                   -2 :              -0.00000066312444
                   -1 :              -0.00001233388761
                   +0 :              -0.00001216770652
                   +1 :               0.00003896061733
                   +2 :              -0.00001155966347
              8 vec=     0.209546      0.362644     16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000094724501
                2s
                   +0 :              -0.00002155409410
                3s
                   +0 :               0.00001462794732
                2p
                   -1 :               0.00002279168857
                   +0 :              -0.00005246753203
                   +1 :               0.00001305497000
                3p
                   -1 :              -0.00002444471134
                   +0 :               0.00004602476618
                   +1 :              -0.00000913453875
                3d
                   -2 :               0.00000026675398
                   -1 :              -0.00000445722833
                   +0 :               0.00000267487796
                   +1 :              -0.00000646162861
                   +2 :               0.00000140181418
              9 vec=    -7.570617    -13.112993     -8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00000339066269
                2s
                   +0 :              -0.00006515754864
                3s
                   +0 :              -0.00003629208399
                2p
                   -1 :               0.00012314890757
                   +0 :               0.00006152413680
                   +1 :              -0.00001199756092
                3p
                   -1 :              -0.00003762009737
                   +0 :              -0.00002512146940
                   +1 :               0.00003229283509
                3d
                   -2 :              -0.00000293809610
                   -1 :               0.00000071570525
                   +0 :              -0.00000187065122
                   +1 :              -0.00000181576991
                   +2 :              -0.00000223288519
             10 vec=   -15.350780      0.362644     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00001129243855
                2s
                   +0 :              -0.00008281751489
                3s
                   +0 :               0.00003872860971
                2p
                   -1 :              -0.00009821939744
                   +0 :               0.00000876842531
                   +1 :               0.00006997063726
                3p
                   -1 :               0.00006908213324
                   +0 :               0.00000366974451
                   +1 :              -0.00004746764389
                3d
                   -2 :              -0.00000975965481
                   -1 :              -0.00000517243382
                   +0 :               0.00000329985569
                   +1 :               0.00000739983622
                   +2 :               0.00000517902386
             11 vec=     7.989708    -13.112993     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000145711049
                2s
                   +0 :              -0.00006684968316
                3s
                   +0 :              -0.00001287359794
                2p
                   -1 :               0.00003117552985
                   +0 :               0.00007673047727
                   +1 :               0.00006618295565
                3p
                   -1 :               0.00004712376914
                   +0 :              -0.00000324614172
                   +1 :              -0.00009102614676
                3d
                   -2 :               0.00000564648213
                   -1 :              -0.00000302343641
                   +0 :               0.00000378846891
                   +1 :              -0.00000376156296
                   +2 :               0.00000525952007
             12 vec=    -7.570617     13.838281     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000481817857
                2s
                   +0 :               0.00004944773881
                3s
                   +0 :               0.00002195533237
                2p
                   -1 :               0.00003089988838
                   +0 :               0.00002254120193
                   +1 :               0.00010088766179
                3p
                   -1 :               0.00001185217106
                   +0 :              -0.00004683704608
                   +1 :              -0.00013880407034
                3d
                   -2 :              -0.00001021691473
                   -1 :              -0.00000335538209
                   +0 :               0.00000984397261
                   +1 :               0.00000586032348
                   +2 :               0.00000193084520
             13 vec=    15.769871      0.362644     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00001106120684
                2s
                   +0 :              -0.00006334042896
                3s
                   +0 :               0.00004042042187
                2p
                   -1 :              -0.00001957665097
                   +0 :               0.00002141375538
                   +1 :              -0.00003089699247
                3p
                   -1 :              -0.00000679224517
                   +0 :               0.00001250969565
                   +1 :               0.00001521378941
                3d
                   -2 :               0.00000107833671
                   -1 :              -0.00000013590177
                   +0 :              -0.00000217829593
                   +1 :              -0.00000368360340
                   +2 :               0.00000230020243
             14 vec=     7.989708     13.838281     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00001378881422
                2s
                   +0 :               0.00010498026498
                3s
                   +0 :              -0.00003792099036
                2p
                   -1 :               0.00008017642368
                   +0 :              -0.00007686353275
                   +1 :               0.00011956419176
                3p
                   -1 :              -0.00001443832507
                   +0 :               0.00002419725757
                   +1 :              -0.00003891473038
                3d
                   -2 :              -0.00000005070904
                   -1 :               0.00000209227361
                   +0 :               0.00000051405878
                   +1 :               0.00000332102161
                   +2 :               0.00000077858382
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 15)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00025951045232
                2s
                   +0 :               0.00197783248332
                3s
                   +0 :              -0.00026794695364
                2p
                   -1 :               0.00010123964273
                   +0 :              -0.00271092906837
                   +1 :               0.00120142129488
                3p
                   -1 :               0.00009123308725
                   +0 :               0.00025860961027
                   +1 :               0.00067459414003
                3d
                   -2 :               0.00010572585618
                   -1 :              -0.00005159195862
                   +0 :               0.00000083116815
                   +1 :              -0.00027664502302
                   +2 :               0.00009619865757
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00017236883359
                2s
                   +0 :              -0.00180238162526
                3s
                   +0 :               0.00014072376940
                2p
                   -1 :               0.00006361248421
                   +0 :               0.00188140376465
                   +1 :               0.00053634892549
                3p
                   -1 :              -0.00037783619883
                   +0 :               0.00017447420343
                   +1 :               0.00048378872619
                3d
                   -2 :               0.00007629803611
                   -1 :              -0.00002314608308
                   +0 :              -0.00007598711426
                   +1 :              -0.00019408743195
                   +2 :              -0.00002204554574
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00003427555842
                2s
                   +0 :              -0.00020870384070
                3s
                   +0 :              -0.00012640413434
                2p
                   -1 :              -0.00099080527766
                   +0 :               0.00026357635174
                   +1 :              -0.00040333425915
                3p
                   -1 :               0.00126137558599
                   +0 :               0.00029008827984
                   +1 :               0.00087725070137
                3d
                   -2 :              -0.00007099996761
                   -1 :              -0.00017009267985
                   +0 :               0.00006678794172
                   +1 :              -0.00004284883839
                   +2 :               0.00000456608195
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00000764497824
                2s
                   +0 :               0.00046534840406
                3s
                   +0 :               0.00004455221421
                2p
                   -1 :               0.00039383674168
                   +0 :              -0.00036456230726
                   +1 :              -0.00039836679058
                3p
                   -1 :              -0.00024614894712
                   +0 :               0.00031592044743
                   +1 :               0.00016420901090
                3d
                   -2 :               0.00000657086374
                   -1 :               0.00002041212529
                   +0 :              -0.00005156165580
                   +1 :              -0.00000224238527
                   +2 :              -0.00001243103649
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001036849136
                2s
                   +0 :              -0.00002837659740
                3s
                   +0 :              -0.00005979292210
                2p
                   -1 :              -0.00015947553165
                   +0 :              -0.00010361321104
                   +1 :               0.00017932421052
                3p
                   -1 :               0.00010737504217
                   +0 :              -0.00000335473464
                   +1 :              -0.00016153042876
                3d
                   -2 :              -0.00002500388333
                   -1 :               0.00001313850210
                   +0 :              -0.00000887044837
                   +1 :               0.00000718655545
                   +2 :              -0.00002213171163
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00002266114658
                2s
                   +0 :              -0.00021578519151
                3s
                   +0 :              -0.00001741829724
                2p
                   -1 :               0.00061702020605
                   +0 :               0.00015779902465
                   +1 :              -0.00047212182141
                3p
                   -1 :              -0.00036172079649
                   +0 :               0.00017788149378
                   +1 :               0.00039855437661
                3d
                   -2 :               0.00004601876637
                   -1 :               0.00000277224832
                   +0 :              -0.00003965234181
                   +1 :               0.00001281139416
                   +2 :              -0.00002072696118
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000290534343
                2s
                   +0 :               0.00005466291262
                3s
                   +0 :               0.00003230520144
                2p
                   -1 :               0.00013175020453
                   +0 :              -0.00001290229132
                   +1 :              -0.00001431898889
                3p
                   -1 :              -0.00005272145088
                   +0 :              -0.00001377653659
                   +1 :               0.00000335296592
                3d
                   -2 :               0.00000507279222
                   -1 :              -0.00000312473420
                   +0 :               0.00000322792708
                   +1 :              -0.00000505246796
                   +2 :               0.00000096852693
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000507530054
                2s
                   +0 :               0.00006859284930
                3s
                   +0 :              -0.00000868034904
                2p
                   -1 :              -0.00004950804366
                   +0 :              -0.00003996909621
                   +1 :               0.00006696869932
                3p
                   -1 :               0.00005052763993
                   +0 :               0.00001025374238
                   +1 :              -0.00002231751252
                3d
                   -2 :               0.00000074451734
                   -1 :              -0.00000197514597
                   +0 :               0.00000375362491
                   +1 :              -0.00000146066853
                   +2 :              -0.00000251396542
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00001264926080
                2s
                   +0 :               0.00011640401495
                3s
                   +0 :              -0.00004756057030
                2p
                   -1 :               0.00004615292828
                   +0 :              -0.00004532002259
                   +1 :              -0.00013218920485
                3p
                   -1 :              -0.00007046987372
                   +0 :               0.00000894549792
                   +1 :               0.00006323689310
                3d
                   -2 :              -0.00000865421795
                   -1 :               0.00000779150928
                   +0 :               0.00000662487848
                   +1 :               0.00000009746192
                   +2 :              -0.00001094576316
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00000737166597
                2s
                   +0 :              -0.00004802344225
                3s
                   +0 :              -0.00002296140690
                2p
                   -1 :               0.00003918652257
                   +0 :              -0.00009766919358
                   +1 :               0.00016976259047
                3p
                   -1 :              -0.00006065378267
                   +0 :               0.00006542249847
                   +1 :              -0.00009739423130
                3d
                   -2 :              -0.00000152530789
                   -1 :              -0.00000486707435
                   +0 :              -0.00001060198312
                   +1 :              -0.00000710448248
                   +2 :               0.00000921671339
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001202418959
                2s
                   +0 :               0.00002075764218
                3s
                   +0 :              -0.00004108836920
                2p
                   -1 :              -0.00013497377776
                   +0 :               0.00020317617966
                   +1 :              -0.00005266832813
                3p
                   -1 :               0.00012174406587
                   +0 :              -0.00007352125610
                   +1 :              -0.00000446122257
                3d
                   -2 :              -0.00000349125868
                   -1 :               0.00000876439990
                   +0 :              -0.00000463284034
                   +1 :               0.00000457849524
                   +2 :               0.00000588059049
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00002037851923
                2s
                   +0 :               0.00011805631695
                3s
                   +0 :              -0.00008850114287
                2p
                   -1 :              -0.00003880573791
                   +0 :               0.00034142405406
                   +1 :               0.00016009838861
                3p
                   -1 :               0.00012056680502
                   +0 :              -0.00021392195374
                   +1 :              -0.00013256891971
                3d
                   -2 :               0.00002127382058
                   -1 :               0.00000213841285
                   +0 :               0.00002688544276
                   +1 :               0.00001602208118
                   +2 :               0.00000714873234
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000620166317
                2s
                   +0 :               0.00005889716089
                3s
                   +0 :              -0.00002151802367
                2p
                   -1 :               0.00005879434401
                   +0 :               0.00006972560974
                   +1 :               0.00004862792247
                3p
                   -1 :              -0.00003776109925
                   +0 :              -0.00002561625932
                   +1 :              -0.00004074440348
                3d
                   -2 :              -0.00000062591982
                   -1 :              -0.00000025449097
                   +0 :              -0.00000124855982
                   +1 :               0.00000007322994
                   +2 :              -0.00000317240625
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001824092063
                2s
                   +0 :               0.00013673665469
                3s
                   +0 :              -0.00003501143789
                2p
                   -1 :              -0.00001718082959
                   +0 :               0.00007381725929
                   +1 :               0.00002481045291
                3p
                   -1 :               0.00001550569943
                   +0 :              -0.00000340834456
                   +1 :              -0.00004650206643
                3d
                   -2 :               0.00000323175049
                   -1 :               0.00000285550322
                   +0 :               0.00000154252909
                   +1 :              -0.00000496025287
                   +2 :               0.00000192787464
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000682093668
                2s
                   +0 :               0.00002414728593
                3s
                   +0 :              -0.00003554949306
                2p
                   -1 :              -0.00000946364740
                   +0 :               0.00003065226647
                   +1 :               0.00000774206912
                3p
                   -1 :              -0.00000626154891
                   +0 :              -0.00004224946492
                   +1 :              -0.00001899698326
                3d
                   -2 :               0.00000243865086
                   -1 :              -0.00000337943573
                   +0 :              -0.00000619487201
                   +1 :              -0.00000410132323
                   +2 :               0.00000027065328
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 16)  npairs=  14
              1 vec=     0.209546      3.115268      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00164267048703
                2s
                   +0 :               0.04262464518302
                3s
                   +0 :              -0.00258005163449
                2p
                   -1 :               0.01563301728552
                   +0 :               0.02426556915707
                   +1 :              -0.00351167543270
                3p
                   -1 :              -0.00275930204716
                   +0 :               0.00122335094688
                   +1 :               0.00299566730022
                3d
                   -2 :               0.00027724513060
                   -1 :               0.00188978891827
                   +0 :               0.00180325377539
                   +1 :               0.00053191808255
                   +2 :              -0.00041579910686
              2 vec=     0.209546     -5.868490      4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00170196317339
                2s
                   +0 :              -0.01058208834528
                3s
                   +0 :               0.00567528490182
                2p
                   -1 :               0.01063816730432
                   +0 :              -0.00026047417030
                   +1 :               0.00103466871239
                3p
                   -1 :              -0.00831967803716
                   +0 :              -0.00068122404782
                   +1 :              -0.00128118312689
                3d
                   -2 :               0.00011225192182
                   -1 :              -0.00026215939790
                   +0 :              -0.00028883702770
                   +1 :               0.00003820900122
                   +2 :              -0.00055012641845
              3 vec=    -7.570617     -1.376611      4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00017839381085
                2s
                   +0 :              -0.00093941848293
                3s
                   +0 :               0.00033581864398
                2p
                   -1 :               0.00051690150765
                   +0 :               0.00254171216175
                   +1 :               0.00244677941069
                3p
                   -1 :              -0.00063874908339
                   +0 :              -0.00109245324151
                   +1 :              -0.00105420681175
                3d
                   -2 :               0.00008697128908
                   -1 :              -0.00019029652357
                   +0 :               0.00009604144171
                   +1 :              -0.00004494476902
                   +2 :              -0.00004160090691
              4 vec=     7.989708     -1.376611      4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00000507955513
                2s
                   +0 :              -0.00010583209702
                3s
                   +0 :               0.00002602528688
                2p
                   -1 :              -0.00064455301285
                   +0 :               0.00085805612157
                   +1 :              -0.00360523921497
                3p
                   -1 :               0.00032859572117
                   +0 :              -0.00009364073122
                   +1 :               0.00288122297157
                3d
                   -2 :              -0.00000378777012
                   -1 :               0.00007226874080
                   +0 :              -0.00000769898580
                   +1 :               0.00007127305194
                   +2 :               0.00007635902790
              5 vec=    -7.570617      7.607147      4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00014812928648
                2s
                   +0 :               0.00125415052844
                3s
                   +0 :              -0.00053310935263
                2p
                   -1 :               0.00058524070034
                   +0 :               0.00005532048394
                   +1 :              -0.00117273278906
                3p
                   -1 :              -0.00037101563259
                   +0 :               0.00013860322301
                   +1 :               0.00082405640881
                3d
                   -2 :               0.00003241306407
                   -1 :               0.00005969713470
                   +0 :              -0.00002033469363
                   +1 :               0.00000769681891
                   +2 :              -0.00004957499223
              6 vec=     7.989708      7.607147      4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00002399772779
                2s
                   +0 :               0.00019765716282
                3s
                   +0 :               0.00004367347555
                2p
                   -1 :              -0.00065338117325
                   +0 :               0.00014375612026
                   +1 :               0.00015812212731
                3p
                   -1 :               0.00061967564963
                   +0 :              -0.00000951085322
                   +1 :               0.00007644926590
                3d
                   -2 :               0.00009396377608
                   -1 :              -0.00004257194145
                   +0 :              -0.00001604040927
                   +1 :               0.00001971316554
                   +2 :              -0.00002854122857
              7 vec=     0.209546     12.099026      4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00004083313829
                2s
                   +0 :               0.00078693646248
                3s
                   +0 :              -0.00012641866622
                2p
                   -1 :               0.00014275714670
                   +0 :              -0.00009850675225
                   +1 :              -0.00037351431597
                3p
                   -1 :              -0.00002727543283
                   +0 :               0.00013416486942
                   +1 :               0.00024649071909
                3d
                   -2 :               0.00003471753844
                   -1 :               0.00000287003197
                   +0 :               0.00002176887714
                   +1 :              -0.00001749074255
                   +2 :               0.00000339657707
              8 vec=    -7.570617    -10.360369      4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00002253599199
                2s
                   +0 :              -0.00060494650230
                3s
                   +0 :              -0.00002093555509
                2p
                   -1 :              -0.00023623099480
                   +0 :              -0.00053393839764
                   +1 :               0.00076085236683
                3p
                   -1 :               0.00017938465092
                   +0 :               0.00007443131224
                   +1 :              -0.00056417178548
                3d
                   -2 :               0.00000203922985
                   -1 :              -0.00000072575552
                   +0 :              -0.00001800011665
                   +1 :               0.00001911928822
                   +2 :               0.00002050248323
              9 vec=     7.989708    -10.360369      4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00006436756894
                2s
                   +0 :              -0.00071567103623
                3s
                   +0 :               0.00008938663562
                2p
                   -1 :               0.00011991144478
                   +0 :              -0.00043127282990
                   +1 :               0.00008766440608
                3p
                   -1 :              -0.00010474577566
                   +0 :               0.00004328473499
                   +1 :              -0.00022661187133
                3d
                   -2 :              -0.00001879793313
                   -1 :              -0.00002203416542
                   +0 :              -0.00002157541696
                   +1 :              -0.00002973499779
                   +2 :              -0.00001310537945
             10 vec=     0.209546    -14.852248      4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00003574390431
                2s
                   +0 :              -0.00026066088256
                3s
                   +0 :               0.00006305389757
                2p
                   -1 :               0.00017205450584
                   +0 :              -0.00008613572044
                   +1 :              -0.00006690394815
                3p
                   -1 :              -0.00003395689973
                   +0 :               0.00003690764174
                   +1 :               0.00005081295873
                3d
                   -2 :              -0.00001161730106
                   -1 :              -0.00000175288335
                   +0 :              -0.00000296898611
                   +1 :               0.00000241857922
                   +2 :               0.00000867027146
             11 vec=   -15.350780      3.115268      4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00001291096014
                2s
                   +0 :               0.00010265962091
                3s
                   +0 :              -0.00005712039995
                2p
                   -1 :              -0.00000922939048
                   +0 :               0.00005707810404
                   +1 :              -0.00008461368239
                3p
                   -1 :              -0.00001520146719
                   +0 :              -0.00004802918113
                   +1 :               0.00004086240626
                3d
                   -2 :               0.00000251156192
                   -1 :              -0.00000335904695
                   +0 :              -0.00000813026557
                   +1 :               0.00000779532448
                   +2 :               0.00000189141147
             12 vec=    15.769871      3.115268      4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00000722980210
                2s
                   +0 :               0.00004908527559
                3s
                   +0 :              -0.00001248419501
                2p
                   -1 :              -0.00002574506601
                   +0 :              -0.00003468599905
                   +1 :               0.00006624264796
                3p
                   -1 :               0.00000575622453
                   +0 :               0.00004100894054
                   +1 :              -0.00002510687598
                3d
                   -2 :               0.00000650829580
                   -1 :               0.00000036629647
                   +0 :              -0.00000526150600
                   +1 :               0.00000540036656
                   +2 :               0.00000185022145
             13 vec=   -15.350780     -5.868490      4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00001002501613
                2s
                   +0 :              -0.00006871871047
                3s
                   +0 :               0.00001241441586
                2p
                   -1 :              -0.00004030818662
                   +0 :               0.00001240301420
                   +1 :               0.00008262809195
                3p
                   -1 :               0.00003627729310
                   +0 :              -0.00002548776580
                   +1 :              -0.00004191327236
                3d
                   -2 :              -0.00000734507523
                   -1 :              -0.00000191504855
                   +0 :              -0.00000196418536
                   +1 :              -0.00000295423265
                   +2 :               0.00000353835644
             14 vec=    15.769871     -5.868490      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000690363682
                2s
                   +0 :               0.00001336268706
                3s
                   +0 :              -0.00003142314573
                2p
                   -1 :              -0.00006890582317
                   +0 :              -0.00000972317729
                   +1 :              -0.00000317554781
                3p
                   -1 :               0.00007678600653
                   +0 :              -0.00001204564577
                   +1 :              -0.00002726533071
                3d
                   -2 :               0.00000777631541
                   -1 :               0.00000325954025
                   +0 :              -0.00000211127121
                   +1 :               0.00000248959814
                   +2 :               0.00000213690112
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 17)  npairs=  14
              1 vec=    -2.802933     -1.376611      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00116457825231
                2s
                   +0 :              -0.00893292548667
                3s
                   +0 :              -0.00362801920045
                2p
                   -1 :              -0.00163179360559
                   +0 :              -0.01071074402253
                   +1 :               0.00060755035043
                3p
                   -1 :              -0.00126186198554
                   +0 :               0.00114402873172
                   +1 :               0.00783906071766
                3d
                   -2 :               0.00013867036267
                   -1 :              -0.00014428115352
                   +0 :               0.00004576660109
                   +1 :               0.00147042744109
                   +2 :              -0.00089684438263
              2 vec=     4.977229      3.115268      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00075370703703
                2s
                   +0 :               0.00728805258669
                3s
                   +0 :              -0.00322766478084
                2p
                   -1 :               0.00777961602736
                   +0 :               0.00719625822169
                   +1 :               0.00852548201660
                3p
                   -1 :              -0.00701150799337
                   +0 :              -0.00462232264662
                   +1 :              -0.00590276524400
                3d
                   -2 :              -0.00062484174469
                   -1 :              -0.00045864411298
                   +0 :              -0.00019820690939
                   +1 :              -0.00050234421553
                   +2 :              -0.00020433527454
              3 vec=     4.977229     -5.868490      4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00028660643901
                2s
                   +0 :              -0.00166975414331
                3s
                   +0 :               0.00064980089348
                2p
                   -1 :              -0.00080068857023
                   +0 :              -0.00336973203302
                   +1 :              -0.00208058062922
                3p
                   -1 :               0.00029826715557
                   +0 :               0.00025969016661
                   +1 :               0.00082381931770
                3d
                   -2 :              -0.00001407078379
                   -1 :              -0.00008791199264
                   +0 :              -0.00022146195314
                   +1 :              -0.00014527157774
                   +2 :               0.00004668739087
              4 vec=    -2.802933      7.607147      4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00013376345450
                2s
                   +0 :               0.00059455151188
                3s
                   +0 :               0.00006460289865
                2p
                   -1 :               0.00112089666939
                   +0 :               0.00181493429154
                   +1 :               0.00193080763895
                3p
                   -1 :              -0.00044081953152
                   +0 :               0.00000934106095
                   +1 :              -0.00173730493541
                3d
                   -2 :              -0.00003234598060
                   -1 :               0.00008082536461
                   +0 :               0.00005419761541
                   +1 :               0.00001461891184
                   +2 :              -0.00005072617142
              5 vec=    -2.802933    -10.360369      4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00022374215258
                2s
                   +0 :               0.00093198381408
                3s
                   +0 :              -0.00084007955322
                2p
                   -1 :              -0.00095765977996
                   +0 :              -0.00051965676502
                   +1 :              -0.00091030924544
                3p
                   -1 :               0.00126613355882
                   +0 :               0.00001321839967
                   +1 :               0.00088245949800
                3d
                   -2 :              -0.00007281923675
                   -1 :              -0.00001347315385
                   +0 :              -0.00000583304983
                   +1 :              -0.00003554567025
                   +2 :               0.00003326356416
              6 vec=   -10.583096      3.115268      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00002007640442
                2s
                   +0 :              -0.00017425013966
                3s
                   +0 :               0.00016746397184
                2p
                   -1 :               0.00000778138071
                   +0 :               0.00026294370768
                   +1 :               0.00009500757701
                3p
                   -1 :              -0.00013057714800
                   +0 :              -0.00022179723338
                   +1 :              -0.00019872501071
                3d
                   -2 :              -0.00000981840940
                   -1 :               0.00000225862768
                   +0 :              -0.00004713521928
                   +1 :               0.00000111574632
                   +2 :               0.00005101516288
              7 vec=   -10.583096     -5.868490      4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00005050716388
                2s
                   +0 :               0.00003519652980
                3s
                   +0 :              -0.00022114371783
                2p
                   -1 :               0.00001952459186
                   +0 :              -0.00009554533499
                   +1 :              -0.00064774476910
                3p
                   -1 :               0.00011077132498
                   +0 :              -0.00003653475857
                   +1 :               0.00060836435028
                3d
                   -2 :              -0.00001497243805
                   -1 :               0.00002854562435
                   +0 :               0.00000956680409
                   +1 :               0.00000046754795
                   +2 :               0.00000535464333
              8 vec=    12.757392     -1.376611      4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00006311967316
                2s
                   +0 :               0.00028768097294
                3s
                   +0 :              -0.00016177433688
                2p
                   -1 :               0.00044070593818
                   +0 :              -0.00018162143896
                   +1 :               0.00025406582989
                3p
                   -1 :              -0.00041924654117
                   +0 :               0.00016279636818
                   +1 :              -0.00030263405192
                3d
                   -2 :              -0.00005122327987
                   -1 :              -0.00000158723724
                   +0 :              -0.00000159872308
                   +1 :               0.00003810597771
                   +2 :              -0.00001974454282
              9 vec=     4.977229     12.099026      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00003473598548
                2s
                   +0 :               0.00024853828497
                3s
                   +0 :               0.00015371012021
                2p
                   -1 :               0.00063488797903
                   +0 :               0.00000059206419
                   +1 :               0.00058668642885
                3p
                   -1 :              -0.00040656382795
                   +0 :               0.00006515429758
                   +1 :              -0.00044925189398
                3d
                   -2 :              -0.00002721413949
                   -1 :              -0.00003176476808
                   +0 :               0.00002123570709
                   +1 :              -0.00000362711238
                   +2 :              -0.00001253174029
             10 vec=    12.757392      7.607147      4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00002805278959
                2s
                   +0 :              -0.00015636408878
                3s
                   +0 :               0.00014503188753
                2p
                   -1 :              -0.00005985415928
                   +0 :               0.00000733741198
                   +1 :              -0.00014722737692
                3p
                   -1 :               0.00004031809971
                   +0 :               0.00002255444435
                   +1 :               0.00017645159494
                3d
                   -2 :               0.00000302011839
                   -1 :              -0.00000667007451
                   +0 :               0.00000773027135
                   +1 :               0.00001039552902
                   +2 :               0.00001108526794
             11 vec=     4.977229    -14.852248      4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000315896195
                2s
                   +0 :              -0.00003663031150
                3s
                   +0 :              -0.00006159224028
                2p
                   -1 :              -0.00010994116375
                   +0 :              -0.00005709895476
                   +1 :              -0.00005092853112
                3p
                   -1 :               0.00023676553143
                   +0 :              -0.00003066800151
                   +1 :               0.00000251422988
                3d
                   -2 :               0.00001310406816
                   -1 :               0.00000942461875
                   +0 :               0.00001572644450
                   +1 :               0.00000092706506
                   +2 :               0.00001579512088
             12 vec=   -10.583096     12.099026      4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00000687582308
                2s
                   +0 :               0.00009222020327
                3s
                   +0 :              -0.00002860289778
                2p
                   -1 :              -0.00000766459306
                   +0 :              -0.00007418002309
                   +1 :              -0.00004086648873
                3p
                   -1 :               0.00004218332673
                   +0 :               0.00007342569412
                   +1 :              -0.00001738602924
                3d
                   -2 :              -0.00000832138781
                   -1 :              -0.00000258010066
                   +0 :              -0.00000062867758
                   +1 :               0.00000605319631
                   +2 :              -0.00001349831114
             13 vec=    12.757392    -10.360369      4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00002150516777
                2s
                   +0 :              -0.00013310650430
                3s
                   +0 :               0.00005607745627
                2p
                   -1 :               0.00008710823555
                   +0 :               0.00007512585491
                   +1 :              -0.00006899470261
                3p
                   -1 :              -0.00005674720690
                   +0 :              -0.00005380680609
                   +1 :               0.00002740031130
                3d
                   -2 :              -0.00000045843387
                   -1 :              -0.00000248959446
                   +0 :              -0.00000055193761
                   +1 :              -0.00000047571378
                   +2 :              -0.00000213626748
             14 vec=    -2.802933     16.590905      4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00001623268604
                2s
                   +0 :               0.00013803194380
                3s
                   +0 :              -0.00004453604160
                2p
                   -1 :               0.00012071503069
                   +0 :               0.00006273121359
                   +1 :               0.00009995713619
                3p
                   -1 :              -0.00004991499874
                   +0 :              -0.00003760277422
                   +1 :              -0.00008388620516
                3d
                   -2 :              -0.00000113790354
                   -1 :              -0.00000254481302
                   +0 :              -0.00000099136839
                   +1 :              -0.00000457763198
                   +2 :              -0.00000545575083
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 18)  npairs=  14
              1 vec=     2.593388     -1.013667      4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00018484105538
                2s
                   +0 :              -0.01598419907042
                3s
                   +0 :              -0.00017424916512
                2p
                   -1 :              -0.00602770598493
                   +0 :              -0.01342912170298
                   +1 :              -0.00501711724304
                3p
                   -1 :              -0.00050835227577
                   +0 :               0.00431552041803
                   +1 :              -0.00397109238870
                3d
                   -2 :              -0.00041561148309
                   -1 :              -0.00116065978541
                   +0 :               0.00018809807198
                   +1 :              -0.00057773968150
                   +2 :              -0.00110689626554
              2 vec=    -5.186775      3.478212      4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00020838128238
                2s
                   +0 :              -0.00111486185984
                3s
                   +0 :               0.00071336988581
                2p
                   -1 :              -0.00108465486448
                   +0 :              -0.00236865742775
                   +1 :              -0.00327306745193
                3p
                   -1 :               0.00123212805475
                   +0 :               0.00279737541196
                   +1 :               0.00196407106993
                3d
                   -2 :               0.00010407752236
                   -1 :              -0.00018404862859
                   +0 :               0.00016770720010
                   +1 :               0.00014057356210
                   +2 :              -0.00011181825014
              3 vec=    -5.186775     -5.505546      4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00050846823356
                2s
                   +0 :              -0.00261807511098
                3s
                   +0 :               0.00117788023809
                2p
                   -1 :               0.00097775044475
                   +0 :              -0.00240329354260
                   +1 :               0.00224979135525
                3p
                   -1 :              -0.00084885349529
                   +0 :               0.00005899448544
                   +1 :              -0.00129244308035
                3d
                   -2 :               0.00019406982721
                   -1 :              -0.00024289400639
                   +0 :              -0.00029985206316
                   +1 :              -0.00005394468333
                   +2 :               0.00005097260400
              4 vec=     2.593388      7.970091      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00057190285265
                2s
                   +0 :               0.00348189315344
                3s
                   +0 :              -0.00113220486066
                2p
                   -1 :               0.00065595240418
                   +0 :               0.00181619497017
                   +1 :               0.00024354491339
                3p
                   -1 :               0.00040541007231
                   +0 :              -0.00047536491531
                   +1 :              -0.00004854121904
                3d
                   -2 :              -0.00002481111996
                   -1 :              -0.00003958044738
                   +0 :               0.00011208547134
                   +1 :              -0.00015207289711
                   +2 :               0.00007202637677
              5 vec=     2.593388     -9.997425      4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00011936182273
                2s
                   +0 :               0.00002027510595
                3s
                   +0 :              -0.00027914631871
                2p
                   -1 :               0.00122182531457
                   +0 :              -0.00086151227413
                   +1 :              -0.00106268328391
                3p
                   -1 :              -0.00069458946949
                   +0 :               0.00027019687128
                   +1 :               0.00086942265587
                3d
                   -2 :              -0.00007863986431
                   -1 :               0.00002160946167
                   +0 :              -0.00017617022272
                   +1 :              -0.00002026666063
                   +2 :              -0.00008041041960
              6 vec=    10.373550      3.478212      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00002598742269
                2s
                   +0 :               0.00020213430142
                3s
                   +0 :              -0.00000954147322
                2p
                   -1 :               0.00002630618708
                   +0 :              -0.00000240170042
                   +1 :               0.00019897903853
                3p
                   -1 :              -0.00004137351855
                   +0 :               0.00001208209045
                   +1 :              -0.00006294424977
                3d
                   -2 :               0.00003439220102
                   -1 :              -0.00004001771828
                   +0 :              -0.00002852416536
                   +1 :               0.00006028226242
                   +2 :               0.00009362879800
              7 vec=    10.373550     -5.505546      4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00001389581958
                2s
                   +0 :              -0.00021030448256
                3s
                   +0 :              -0.00014000809530
                2p
                   -1 :              -0.00022942555388
                   +0 :              -0.00052720770251
                   +1 :              -0.00008140031592
                3p
                   -1 :               0.00031697687650
                   +0 :               0.00024826784888
                   +1 :               0.00001174712278
                3d
                   -2 :               0.00002122024533
                   -1 :              -0.00001167261353
                   +0 :               0.00002887696523
                   +1 :               0.00001674155955
                   +2 :               0.00003107558862
              8 vec=   -12.966938     -1.013667      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00003718846274
                2s
                   +0 :              -0.00025223541140
                3s
                   +0 :               0.00006084985892
                2p
                   -1 :              -0.00008534356769
                   +0 :               0.00030313732940
                   +1 :               0.00030613660589
                3p
                   -1 :              -0.00004213864761
                   +0 :              -0.00023949852258
                   +1 :              -0.00007582129436
                3d
                   -2 :               0.00001360655912
                   -1 :              -0.00002347113105
                   +0 :               0.00001505937151
                   +1 :               0.00001097065139
                   +2 :              -0.00002832302800
              9 vec=    -5.186775     12.461970      4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00009048655687
                2s
                   +0 :               0.00082155235374
                3s
                   +0 :              -0.00020174310548
                2p
                   -1 :               0.00033488509175
                   +0 :               0.00017408519601
                   +1 :               0.00009538293321
                3p
                   -1 :              -0.00009528943515
                   +0 :               0.00001600319342
                   +1 :              -0.00010033708030
                3d
                   -2 :               0.00000086288641
                   -1 :              -0.00000601683377
                   +0 :               0.00000996887419
                   +1 :              -0.00000875436746
                   +2 :               0.00001780978286
             10 vec=   -12.966938      7.970091      4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000683405072
                2s
                   +0 :               0.00006525206747
                3s
                   +0 :              -0.00001639883176
                2p
                   -1 :              -0.00008680669432
                   +0 :               0.00011544521754
                   +1 :              -0.00005483413985
                3p
                   -1 :               0.00005373544746
                   +0 :              -0.00005998717220
                   +1 :               0.00003071477424
                3d
                   -2 :              -0.00001003710232
                   -1 :               0.00000506051909
                   +0 :              -0.00000067416006
                   +1 :               0.00000486714220
                   +2 :               0.00000541503158
             11 vec=    -5.186775    -14.489304      4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00009054170284
                2s
                   +0 :              -0.00060019252762
                3s
                   +0 :               0.00026735397559
                2p
                   -1 :               0.00040680875895
                   +0 :              -0.00016140935180
                   +1 :               0.00006200724413
                3p
                   -1 :              -0.00022728406807
                   +0 :               0.00010026476021
                   +1 :               0.00002762703845
                3d
                   -2 :              -0.00000578627380
                   -1 :              -0.00001221765946
                   +0 :               0.00001682644718
                   +1 :               0.00000384245279
                   +2 :              -0.00000809904224
             12 vec=    10.373550     12.461970      4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00002167518417
                2s
                   +0 :               0.00016076829666
                3s
                   +0 :              -0.00006383767797
                2p
                   -1 :               0.00032057892533
                   +0 :               0.00005079286530
                   +1 :               0.00015472343629
                3p
                   -1 :              -0.00027569077671
                   +0 :              -0.00003658491053
                   +1 :              -0.00009243947024
                3d
                   -2 :              -0.00001392187557
                   -1 :              -0.00001190329222
                   +0 :               0.00000600490412
                   +1 :               0.00000423343383
                   +2 :               0.00000897553939
             13 vec=   -12.966938     -9.997425      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00002298862145
                2s
                   +0 :              -0.00015855870817
                3s
                   +0 :               0.00006009438994
                2p
                   -1 :               0.00007844655457
                   +0 :              -0.00003409201072
                   +1 :              -0.00000303942116
                3p
                   -1 :              -0.00002206463299
                   +0 :               0.00001183951744
                   +1 :               0.00004012715764
                3d
                   -2 :               0.00000679473417
                   -1 :              -0.00000294405681
                   +0 :               0.00000232268770
                   +1 :              -0.00000405515190
                   +2 :              -0.00000705956597
             14 vec=     2.593388     16.953849      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00001192339327
                2s
                   +0 :               0.00008269313837
                3s
                   +0 :              -0.00001661256485
                2p
                   -1 :               0.00002945377960
                   +0 :               0.00000910624280
                   +1 :              -0.00002290909471
                3p
                   -1 :               0.00001990029985
                   +0 :               0.00001401328548
                   +1 :               0.00000897054260
                3d
                   -2 :              -0.00000701183461
                   -1 :               0.00000088246444
                   +0 :              -0.00000197521927
                   +1 :              -0.00000460786603
                   +2 :               0.00000230780611
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 19)  npairs=  12
              1 vec=     2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00383225840986
                2s
                   +0 :              -0.09796346540254
                3s
                   +0 :               0.00920245672673
                2p
                   -1 :               0.04938913746321
                   +0 :               0.00460997942078
                   +1 :              -0.04253895273280
                3p
                   -1 :              -0.00692055989448
                   +0 :              -0.00339600096746
                   +1 :               0.00792614043091
                3d
                   -2 :               0.00242169852885
                   -1 :              -0.00036809097870
                   +0 :               0.00168959313229
                   +1 :              -0.00089989874509
                   +2 :               0.00192579562452
              2 vec=    -5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00131994298817
                2s
                   +0 :              -0.00071456715137
                3s
                   +0 :               0.00584420725559
                2p
                   -1 :              -0.00597664489905
                   +0 :               0.00213209021679
                   +1 :              -0.00332814347423
                3p
                   -1 :               0.00113023697458
                   +0 :              -0.00216613960432
                   +1 :              -0.00424185691958
                3d
                   -2 :               0.00041616067183
                   -1 :               0.00027129708292
                   +0 :              -0.00050485180800
                   +1 :               0.00004352101213
                   +2 :               0.00094569145739
              3 vec=     2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00131036592496
                2s
                   +0 :               0.04481097337713
                3s
                   +0 :              -0.00002116491263
                2p
                   -1 :               0.02887454716145
                   +0 :              -0.00099310979844
                   +1 :               0.01611631426254
                3p
                   -1 :               0.00327413005950
                   +0 :               0.00163281033661
                   +1 :              -0.00077349978124
                3d
                   -2 :               0.00245958091109
                   -1 :               0.00072986334218
                   +0 :              -0.00154980655350
                   +1 :               0.00038633972915
                   +2 :              -0.00129171407005
              4 vec=    -5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00046087714750
                2s
                   +0 :              -0.00520709553568
                3s
                   +0 :               0.00032990506665
                2p
                   -1 :               0.00551914234175
                   +0 :               0.00019123374186
                   +1 :               0.00476141452256
                3p
                   -1 :              -0.00029614678529
                   +0 :               0.00013339844492
                   +1 :              -0.00019280614369
                3d
                   -2 :              -0.00037325688878
                   -1 :              -0.00008252241980
                   +0 :               0.00022154475778
                   +1 :              -0.00008470425084
                   +2 :               0.00019844677797
              5 vec=    10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00029963514874
                2s
                   +0 :               0.00205407096898
                3s
                   +0 :              -0.00069185606220
                2p
                   -1 :              -0.00124681454740
                   +0 :              -0.00031326487120
                   +1 :               0.00134443583388
                3p
                   -1 :               0.00075804963681
                   +0 :               0.00021229141756
                   +1 :               0.00012721135950
                3d
                   -2 :               0.00004923903553
                   -1 :               0.00000847135431
                   +0 :              -0.00025037668900
                   +1 :               0.00004317134179
                   +2 :               0.00016203650480
              6 vec=    -5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00075955149695
                2s
                   +0 :               0.00662219721176
                3s
                   +0 :              -0.00180357252018
                2p
                   -1 :               0.00527769770989
                   +0 :              -0.00115942309356
                   +1 :              -0.00376820347733
                3p
                   -1 :              -0.00163872583097
                   +0 :               0.00111180658925
                   +1 :               0.00112376728626
                3d
                   -2 :              -0.00012040343715
                   -1 :               0.00009508155611
                   +0 :              -0.00007512353401
                   +1 :               0.00003415318833
                   +2 :               0.00000061884690
              7 vec=     2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00003985089739
                2s
                   +0 :              -0.00091456160608
                3s
                   +0 :               0.00000583260608
                2p
                   -1 :               0.00020237474365
                   +0 :              -0.00010037520500
                   +1 :               0.00034348968608
                3p
                   -1 :               0.00018597454533
                   +0 :               0.00011073552064
                   +1 :              -0.00033339799430
                3d
                   -2 :               0.00003833049785
                   -1 :               0.00000349022891
                   +0 :               0.00003252139460
                   +1 :              -0.00000984113549
                   +2 :              -0.00000571306303
              8 vec=    10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00009166257924
                2s
                   +0 :              -0.00096956940105
                3s
                   +0 :               0.00008867693632
                2p
                   -1 :              -0.00049351063836
                   +0 :               0.00012788554761
                   +1 :              -0.00018397314523
                3p
                   -1 :               0.00024875243682
                   +0 :              -0.00013589147360
                   +1 :              -0.00020515367352
                3d
                   -2 :              -0.00002807446900
                   -1 :              -0.00000628977960
                   +0 :               0.00002993480820
                   +1 :              -0.00002216883325
                   +2 :              -0.00001594275982
              9 vec=   -13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00006249283473
                2s
                   +0 :              -0.00065248918057
                3s
                   +0 :               0.00012283489316
                2p
                   -1 :              -0.00031667200233
                   +0 :              -0.00004004268087
                   +1 :               0.00081705996946
                3p
                   -1 :               0.00014517818356
                   +0 :               0.00005142080179
                   +1 :              -0.00027306252280
                3d
                   -2 :               0.00000086324659
                   -1 :              -0.00001056093175
                   +0 :              -0.00001254461496
                   +1 :              -0.00000057595031
                   +2 :              -0.00001406391637
             10 vec=    10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00004024739844
                2s
                   +0 :               0.00056852133115
                3s
                   +0 :              -0.00012184683612
                2p
                   -1 :              -0.00017261613780
                   +0 :              -0.00006923037763
                   +1 :               0.00052982211490
                3p
                   -1 :              -0.00002963459211
                   +0 :               0.00005478662003
                   +1 :              -0.00012009652892
                3d
                   -2 :              -0.00002336626132
                   -1 :              -0.00001581655562
                   +0 :               0.00000202862028
                   +1 :               0.00001870911543
                   +2 :               0.00003037040833
             11 vec=   -13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00005815284362
                2s
                   +0 :               0.00051157198567
                3s
                   +0 :              -0.00016581324417
                2p
                   -1 :               0.00028960693768
                   +0 :              -0.00001569693581
                   +1 :              -0.00022100479981
                3p
                   -1 :              -0.00019605770197
                   +0 :               0.00002515286574
                   +1 :               0.00007867478864
                3d
                   -2 :               0.00001010188828
                   -1 :              -0.00000758604595
                   +0 :               0.00002007554287
                   +1 :              -0.00000442212546
                   +2 :              -0.00000504300990
             12 vec=     2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00003163479463
                2s
                   +0 :               0.00059529574914
                3s
                   +0 :              -0.00008879830112
                2p
                   -1 :               0.00025386398253
                   +0 :               0.00014566814183
                   +1 :               0.00008246933279
                3p
                   -1 :               0.00005091712466
                   +0 :              -0.00012142720036
                   +1 :              -0.00003334489810
                3d
                   -2 :               0.00000626666793
                   -1 :              -0.00000006713828
                   +0 :              -0.00000856071711
                   +1 :               0.00000709703861
                   +2 :               0.00001118557796
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 20)  npairs=  12
              1 vec=    -2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00383013967843
                2s
                   +0 :              -0.09795268904994
                3s
                   +0 :               0.00919728128634
                2p
                   -1 :               0.04939081065444
                   +0 :              -0.00466186207703
                   +1 :               0.04253128300089
                3p
                   -1 :              -0.00692230701677
                   +0 :               0.00340674789566
                   +1 :              -0.00791872603001
                3d
                   -2 :              -0.00242161393527
                   -1 :               0.00036311887209
                   +0 :               0.00168990343878
                   +1 :              -0.00090127517231
                   +2 :               0.00192533340799
              2 vec=    -2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00131234518752
                2s
                   +0 :               0.04484450328129
                3s
                   +0 :              -0.00002704872693
                2p
                   -1 :               0.02888235117025
                   +0 :               0.00100720732337
                   +1 :              -0.01614400492626
                3p
                   -1 :               0.00327078942165
                   +0 :              -0.00163350191295
                   +1 :               0.00079938136374
                3d
                   -2 :              -0.00245728462145
                   -1 :              -0.00073187019217
                   +0 :              -0.00155091020728
                   +1 :               0.00038738186570
                   +2 :              -0.00129174458636
              3 vec=     5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00131682253749
                2s
                   +0 :              -0.00069842978839
                3s
                   +0 :               0.00583221417148
                2p
                   -1 :              -0.00596887151413
                   +0 :              -0.00211817936186
                   +1 :               0.00333993837214
                3p
                   -1 :               0.00112967413307
                   +0 :               0.00215860038178
                   +1 :               0.00422518150418
                3d
                   -2 :              -0.00041614382229
                   -1 :              -0.00026951206603
                   +0 :              -0.00050528542646
                   +1 :               0.00004381269125
                   +2 :               0.00094549427791
              4 vec=   -10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00029924424552
                2s
                   +0 :               0.00205061980907
                3s
                   +0 :              -0.00069010435231
                2p
                   -1 :              -0.00124208427423
                   +0 :               0.00032473149419
                   +1 :              -0.00133469101247
                3p
                   -1 :               0.00075083129868
                   +0 :              -0.00021581431522
                   +1 :              -0.00013151032698
                3d
                   -2 :              -0.00004898324320
                   -1 :              -0.00000781278651
                   +0 :              -0.00025061821900
                   +1 :               0.00004318955701
                   +2 :               0.00016211074309
              5 vec=     5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00046015703562
                2s
                   +0 :              -0.00520037351619
                3s
                   +0 :               0.00032816223690
                2p
                   -1 :               0.00550818653818
                   +0 :              -0.00019024909098
                   +1 :              -0.00476017996962
                3p
                   -1 :              -0.00029238131128
                   +0 :              -0.00013199982139
                   +1 :               0.00019312028990
                3d
                   -2 :               0.00037340412451
                   -1 :               0.00008157641936
                   +0 :               0.00022160361814
                   +1 :              -0.00008362943888
                   +2 :               0.00019834554259
              6 vec=     5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00075776757794
                2s
                   +0 :               0.00660635149392
                3s
                   +0 :              -0.00180161071071
                2p
                   -1 :               0.00527674539491
                   +0 :               0.00114548135560
                   +1 :               0.00377251499145
                3p
                   -1 :              -0.00163781646747
                   +0 :              -0.00110777207710
                   +1 :              -0.00112853670506
                3d
                   -2 :               0.00012008429745
                   -1 :              -0.00009495454993
                   +0 :              -0.00007517823893
                   +1 :               0.00003247639326
                   +2 :               0.00000093557673
              7 vec=   -10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00009144132170
                2s
                   +0 :              -0.00096712089408
                3s
                   +0 :               0.00008858569173
                2p
                   -1 :              -0.00048998914551
                   +0 :              -0.00013571520120
                   +1 :               0.00018775852485
                3p
                   -1 :               0.00024838108170
                   +0 :               0.00013712704922
                   +1 :               0.00020113507399
                3d
                   -2 :               0.00002808218534
                   -1 :               0.00000627367071
                   +0 :               0.00003018492669
                   +1 :              -0.00002189309673
                   +2 :              -0.00001585915981
              8 vec=    -2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00003918945739
                2s
                   +0 :              -0.00090885536267
                3s
                   +0 :               0.00000469234036
                2p
                   -1 :               0.00019916062038
                   +0 :               0.00009763785570
                   +1 :              -0.00034285397552
                3p
                   -1 :               0.00018840824553
                   +0 :              -0.00010974692878
                   +1 :               0.00033314189841
                3d
                   -2 :              -0.00003830045441
                   -1 :              -0.00000410731061
                   +0 :               0.00003284498978
                   +1 :              -0.00000968753077
                   +2 :              -0.00000572689690
              9 vec=   -10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00004038482584
                2s
                   +0 :               0.00057425232117
                3s
                   +0 :              -0.00012081294603
                2p
                   -1 :              -0.00017236336935
                   +0 :               0.00007018706562
                   +1 :              -0.00053032576934
                3p
                   -1 :              -0.00002942469948
                   +0 :              -0.00005047753831
                   +1 :               0.00011900208380
                3d
                   -2 :               0.00002324099865
                   -1 :               0.00001605835746
                   +0 :               0.00000261488807
                   +1 :               0.00001830786369
                   +2 :               0.00003050522984
             10 vec=    13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00006194254364
                2s
                   +0 :              -0.00065025821151
                3s
                   +0 :               0.00012088838137
                2p
                   -1 :              -0.00031576373700
                   +0 :               0.00003919492035
                   +1 :              -0.00081195518220
                3p
                   -1 :               0.00014400659561
                   +0 :              -0.00005095284817
                   +1 :               0.00027014985380
                3d
                   -2 :              -0.00000083391676
                   -1 :               0.00001090231308
                   +0 :              -0.00001251761279
                   +1 :              -0.00000028315697
                   +2 :              -0.00001446138837
             11 vec=    -2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00003281610315
                2s
                   +0 :               0.00060473010837
                3s
                   +0 :              -0.00008981731868
                2p
                   -1 :               0.00025712895238
                   +0 :              -0.00014765140221
                   +1 :              -0.00007952655059
                3p
                   -1 :               0.00004996823147
                   +0 :               0.00012269388984
                   +1 :               0.00003474719704
                3d
                   -2 :              -0.00000597392954
                   -1 :              -0.00000027514917
                   +0 :              -0.00000814863783
                   +1 :               0.00000745032799
                   +2 :               0.00001114101772
             12 vec=    13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00005655565862
                2s
                   +0 :               0.00049775482834
                3s
                   +0 :              -0.00016167888132
                2p
                   -1 :               0.00029072462005
                   +0 :               0.00002167438847
                   +1 :               0.00021485922155
                3p
                   -1 :              -0.00019785461132
                   +0 :              -0.00003083501568
                   +1 :              -0.00007659616070
                3d
                   -2 :              -0.00001023620284
                   -1 :               0.00000769118815
                   +0 :               0.00002011365450
                   +1 :              -0.00000476737523
                   +2 :              -0.00000511417932
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 21)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00167298535445
                2s
                   +0 :              -0.00269802552005
                3s
                   +0 :              -0.00718155916706
                2p
                   -1 :               0.86327795869594
                   +0 :              -0.00006194829546
                   +1 :               0.00003597383468
                3p
                   -1 :              -0.03626852466794
                   +0 :               0.00003830056038
                   +1 :              -0.00002029269123
                3d
                   -2 :               0.00000039334103
                   -1 :              -0.00002744478165
                   +0 :              -0.00151333235345
                   +1 :               0.00217339059196
                   +2 :               0.00417569047978
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00010908414651
                2s
                   +0 :               0.00042867369117
                3s
                   +0 :              -0.00079245338772
                2p
                   -1 :              -0.00144119533062
                   +0 :              -0.00112859171087
                   +1 :               0.00152365211185
                3p
                   -1 :               0.00028621929476
                   +0 :               0.00097086814584
                   +1 :               0.00115483123882
                3d
                   -2 :               0.00013008771275
                   -1 :              -0.00004476786684
                   +0 :               0.00012554935526
                   +1 :               0.00002867909939
                   +2 :              -0.00029513422353
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00021460423860
                2s
                   +0 :              -0.00176508647550
                3s
                   +0 :               0.00103647866278
                2p
                   -1 :              -0.00213985659029
                   +0 :              -0.00020961053422
                   +1 :               0.00088660996039
                3p
                   -1 :               0.00129110961156
                   +0 :               0.00013583801707
                   +1 :              -0.00138091664056
                3d
                   -2 :              -0.00016569885013
                   -1 :               0.00011485735496
                   +0 :               0.00008024700251
                   +1 :              -0.00000606005618
                   +2 :              -0.00000010910779
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00014304569427
                2s
                   +0 :              -0.00122824236606
                3s
                   +0 :              -0.00012155895573
                2p
                   -1 :               0.00414631869361
                   +0 :              -0.00000573478040
                   +1 :               0.00000194711426
                3p
                   -1 :              -0.00158766875385
                   +0 :               0.00000117649201
                   +1 :              -0.00000176477717
                3d
                   -2 :               0.00000013201127
                   -1 :               0.00000090906471
                   +0 :              -0.00005471275355
                   +1 :               0.00002654206063
                   +2 :              -0.00016021258842
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00055017151741
                2s
                   +0 :               0.00196488830554
                3s
                   +0 :              -0.00026257050451
                2p
                   -1 :               0.00165628699874
                   +0 :               0.00000627182906
                   +1 :               0.00000704975293
                3p
                   -1 :               0.00034153039655
                   +0 :              -0.00000893238098
                   +1 :              -0.00000152256755
                3d
                   -2 :               0.00000044073529
                   -1 :              -0.00000057503315
                   +0 :              -0.00011980786790
                   +1 :              -0.00022570184613
                   +2 :               0.00018130547199
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00010783353484
                2s
                   +0 :               0.00042140562088
                3s
                   +0 :              -0.00078732992421
                2p
                   -1 :              -0.00143596097037
                   +0 :               0.00112082437728
                   +1 :              -0.00153921162270
                3p
                   -1 :               0.00028206651635
                   +0 :              -0.00095955265301
                   +1 :              -0.00114193077922
                3d
                   -2 :              -0.00012979762477
                   -1 :               0.00004417720102
                   +0 :               0.00012620665147
                   +1 :               0.00002915812546
                   +2 :              -0.00029518126070
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00021718276735
                2s
                   +0 :              -0.00178478036333
                3s
                   +0 :               0.00104242831922
                2p
                   -1 :              -0.00213494293294
                   +0 :               0.00019895016194
                   +1 :              -0.00087987492092
                3p
                   -1 :               0.00128750199169
                   +0 :              -0.00013404476635
                   +1 :               0.00137520847967
                3d
                   -2 :               0.00016525720549
                   -1 :              -0.00011588086625
                   +0 :               0.00008068552129
                   +1 :              -0.00000573621814
                   +2 :              -0.00000030691989
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002410583426
                2s
                   +0 :               0.00023420764411
                3s
                   +0 :              -0.00007024041092
                2p
                   -1 :              -0.00025574139787
                   +0 :              -0.00002655871136
                   +1 :              -0.00037737800004
                3p
                   -1 :               0.00012497283332
                   +0 :               0.00002371488433
                   +1 :               0.00017208527673
                3d
                   -2 :              -0.00000858268182
                   -1 :               0.00001073839277
                   +0 :               0.00000842718859
                   +1 :               0.00000255281634
                   +2 :               0.00000726887919
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00012607584202
                2s
                   +0 :              -0.00132907033516
                3s
                   +0 :               0.00026282280270
                2p
                   -1 :               0.00103835081160
                   +0 :               0.00020341317248
                   +1 :               0.00066030823946
                3p
                   -1 :              -0.00015729168193
                   +0 :              -0.00019558579709
                   +1 :              -0.00016024875356
                3d
                   -2 :              -0.00003347896095
                   -1 :              -0.00000514097344
                   +0 :               0.00002786318318
                   +1 :               0.00002133828260
                   +2 :               0.00003903896023
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001915170327
                2s
                   +0 :               0.00067835987969
                3s
                   +0 :               0.00001768588560
                2p
                   -1 :               0.00098854274768
                   +0 :              -0.00021373395276
                   +1 :              -0.00037063352521
                3p
                   -1 :              -0.00025336549501
                   +0 :               0.00022317137644
                   +1 :              -0.00000159443460
                3d
                   -2 :              -0.00003446033273
                   -1 :               0.00002354645020
                   +0 :              -0.00000732149837
                   +1 :              -0.00003441471584
                   +2 :               0.00000488238689
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00012632908349
                2s
                   +0 :              -0.00133259358270
                3s
                   +0 :               0.00026273169508
                2p
                   -1 :               0.00104106017216
                   +0 :              -0.00020341635667
                   +1 :              -0.00066229722322
                3p
                   -1 :              -0.00015727555660
                   +0 :               0.00019624276832
                   +1 :               0.00016188109458
                3d
                   -2 :               0.00003344240860
                   -1 :               0.00000503769118
                   +0 :               0.00002769484932
                   +1 :               0.00002134838173
                   +2 :               0.00003912883435
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001769330331
                2s
                   +0 :               0.00066569377516
                3s
                   +0 :               0.00002038836344
                2p
                   -1 :               0.00098199242951
                   +0 :               0.00022145262653
                   +1 :               0.00036759431851
                3p
                   -1 :              -0.00024989871805
                   +0 :              -0.00022299247139
                   +1 :               0.00000054314007
                3d
                   -2 :               0.00003439018137
                   -1 :              -0.00002342996861
                   +0 :              -0.00000714514934
                   +1 :              -0.00003382406805
                   +2 :               0.00000460583722
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002303065581
                2s
                   +0 :               0.00022596790407
                3s
                   +0 :              -0.00006736449203
                2p
                   -1 :              -0.00025600658107
                   +0 :               0.00002318759193
                   +1 :               0.00037529842302
                3p
                   -1 :               0.00012555297902
                   +0 :              -0.00002320741860
                   +1 :              -0.00017000687188
                3d
                   -2 :               0.00000857796183
                   -1 :              -0.00001098349581
                   +0 :               0.00000831884553
                   +1 :               0.00000247845726
                   +2 :               0.00000748635518
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000683416041
                2s
                   +0 :              -0.00009560605760
                3s
                   +0 :               0.00001863819922
                2p
                   -1 :               0.00000003646409
                   +0 :              -0.00003439947497
                   +1 :               0.00006310254508
                3p
                   -1 :               0.00001179091630
                   +0 :               0.00002731763233
                   +1 :               0.00001662791569
                3d
                   -2 :               0.00000159146473
                   -1 :              -0.00000259120280
                   +0 :              -0.00000003648112
                   +1 :               0.00000254106358
                   +2 :              -0.00000103139051
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001091105752
                2s
                   +0 :               0.00011739071637
                3s
                   +0 :              -0.00002819672265
                2p
                   -1 :               0.00005174871993
                   +0 :               0.00001664947430
                   +1 :              -0.00012885149825
                3p
                   -1 :              -0.00003249451684
                   +0 :              -0.00000772273825
                   +1 :               0.00003383275587
                3d
                   -2 :               0.00000481803404
                   -1 :              -0.00000344783666
                   +0 :              -0.00000193006882
                   +1 :              -0.00000130368575
                   +2 :               0.00000156490408
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001138224842
                2s
                   +0 :              -0.00012447030188
                3s
                   +0 :               0.00001208918750
                2p
                   -1 :               0.00013194082854
                   +0 :               0.00000124513665
                   +1 :               0.00000165003124
                3p
                   -1 :              -0.00002167281475
                   +0 :              -0.00000115825950
                   +1 :              -0.00000137401939
                3d
                   -2 :              -0.00000002210245
                   -1 :               0.00000020643509
                   +0 :               0.00000023867826
                   +1 :               0.00000010675398
                   +2 :               0.00000025898361
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001344288905
                2s
                   +0 :               0.00012237659845
                3s
                   +0 :              -0.00000911504837
                2p
                   -1 :               0.00006781884265
                   +0 :               0.00000276575781
                   +1 :               0.00000145790963
                3p
                   -1 :               0.00002642301864
                   +0 :              -0.00000137192363
                   +1 :              -0.00000124946359
                3d
                   -2 :               0.00000006140222
                   -1 :              -0.00000016029607
                   +0 :               0.00000085228302
                   +1 :              -0.00000357215025
                   +2 :               0.00000372111846
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000740103764
                2s
                   +0 :              -0.00010099015000
                3s
                   +0 :               0.00001951851513
                2p
                   -1 :              -0.00000072607060
                   +0 :               0.00003330352531
                   +1 :              -0.00006452577335
                3p
                   -1 :               0.00001331347848
                   +0 :              -0.00002667012556
                   +1 :              -0.00001515535402
                3d
                   -2 :              -0.00000159338061
                   -1 :               0.00000267252897
                   +0 :              -0.00000016428144
                   +1 :               0.00000273266173
                   +2 :              -0.00000094483328
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001039221019
                2s
                   +0 :               0.00011381418957
                3s
                   +0 :              -0.00002656014909
                2p
                   -1 :               0.00004895523456
                   +0 :              -0.00001488406146
                   +1 :               0.00012789233676
                3p
                   -1 :              -0.00003078848260
                   +0 :               0.00000697933858
                   +1 :              -0.00003314962712
                3d
                   -2 :              -0.00000461227989
                   -1 :               0.00000323669516
                   +0 :              -0.00000164799244
                   +1 :              -0.00000132399504
                   +2 :               0.00000160680919
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 22)  npairs=  14
              1 vec=    -2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004754542105
                2s
                   +0 :               0.00032243633844
                3s
                   +0 :              -0.00017968046364
                2p
                   -1 :               0.00026088790524
                   +0 :              -0.00044451168484
                   +1 :              -0.00010199405029
                3p
                   -1 :              -0.00023300890178
                   +0 :               0.00031677700029
                   +1 :              -0.00004721814906
                3d
                   -2 :              -0.00000430718728
                   -1 :               0.00002905169631
                   +0 :              -0.00003641471418
                   +1 :               0.00002383895717
                   +2 :               0.00000912397279
              2 vec=    -2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00006905682574
                2s
                   +0 :              -0.00037154476119
                3s
                   +0 :               0.00030479037016
                2p
                   -1 :               0.00003446875329
                   +0 :              -0.00028958733339
                   +1 :              -0.00009586685583
                3p
                   -1 :              -0.00002013915408
                   +0 :               0.00046452960166
                   +1 :              -0.00003870593230
                3d
                   -2 :               0.00002284834329
                   -1 :              -0.00000654171034
                   +0 :               0.00006827927949
                   +1 :              -0.00001535530918
                   +2 :               0.00000150960324
              3 vec=     5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001517034041
                2s
                   +0 :               0.00005688669083
                3s
                   +0 :               0.00000298829799
                2p
                   -1 :              -0.00012413734490
                   +0 :               0.00026599474536
                   +1 :               0.00008863635682
                3p
                   -1 :              -0.00007951622153
                   +0 :              -0.00019252719156
                   +1 :               0.00007421741602
                3d
                   -2 :               0.00001431568063
                   -1 :               0.00002057304199
                   +0 :               0.00001152191921
                   +1 :              -0.00000555594328
                   +2 :               0.00000080578284
              4 vec=     5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001276517969
                2s
                   +0 :               0.00014703250390
                3s
                   +0 :               0.00000924316137
                2p
                   -1 :              -0.00064994197493
                   +0 :              -0.00001277723880
                   +1 :               0.00018508585084
                3p
                   -1 :               0.00021464731219
                   +0 :               0.00001552098138
                   +1 :              -0.00000629498842
                3d
                   -2 :              -0.00000025740838
                   -1 :              -0.00002007905578
                   +0 :               0.00002599489154
                   +1 :               0.00000174189804
                   +2 :               0.00000098322595
              5 vec=    -2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000604580825
                2s
                   +0 :               0.00027175569731
                3s
                   +0 :               0.00006293176366
                2p
                   -1 :               0.00013502464842
                   +0 :              -0.00012145125371
                   +1 :               0.00003479574920
                3p
                   -1 :              -0.00002911158748
                   +0 :              -0.00001358060355
                   +1 :               0.00000758416616
                3d
                   -2 :               0.00001176124602
                   -1 :              -0.00000600159768
                   +0 :              -0.00000901659298
                   +1 :              -0.00002409722067
                   +2 :               0.00001698305928
              6 vec=    -2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00001001821416
                2s
                   +0 :               0.00013593022119
                3s
                   +0 :               0.00002272041321
                2p
                   -1 :              -0.00005269907848
                   +0 :               0.00009440836139
                   +1 :              -0.00011931760727
                3p
                   -1 :               0.00008935161044
                   +0 :               0.00008765100931
                   +1 :               0.00010687267769
                3d
                   -2 :               0.00000515435881
                   -1 :               0.00002220773643
                   +0 :              -0.00000232947518
                   +1 :               0.00000862743071
                   +2 :              -0.00001047091663
              7 vec=     5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004960712262
                2s
                   +0 :              -0.00035057601092
                3s
                   +0 :               0.00018033545218
                2p
                   -1 :              -0.00009751023028
                   +0 :               0.00007786280157
                   +1 :              -0.00003843733480
                3p
                   -1 :               0.00009111587939
                   +0 :              -0.00008539324122
                   +1 :               0.00000324798763
                3d
                   -2 :               0.00001552314878
                   -1 :              -0.00000151184449
                   +0 :               0.00000886733827
                   +1 :              -0.00000346531942
                   +2 :              -0.00000820027825
              8 vec=     5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001836779827
                2s
                   +0 :               0.00013438635829
                3s
                   +0 :              -0.00009327932366
                2p
                   -1 :              -0.00009701138819
                   +0 :               0.00012979125801
                   +1 :               0.00016374498515
                3p
                   -1 :               0.00006895803738
                   +0 :              -0.00009119733314
                   +1 :              -0.00015332939833
                3d
                   -2 :               0.00000282598058
                   -1 :               0.00001671734881
                   +0 :              -0.00000841081479
                   +1 :              -0.00000216116309
                   +2 :              -0.00001213573209
              9 vec=   -10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001597953260
                2s
                   +0 :               0.00007519371748
                3s
                   +0 :              -0.00002913864093
                2p
                   -1 :               0.00010203949525
                   +0 :              -0.00008284109969
                   +1 :              -0.00016939328396
                3p
                   -1 :              -0.00012852863089
                   +0 :               0.00003723624848
                   +1 :               0.00011642625761
                3d
                   -2 :               0.00001023130529
                   -1 :               0.00000937151100
                   +0 :               0.00000038119918
                   +1 :              -0.00001270646221
                   +2 :              -0.00000237487722
             10 vec=   -10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001573622022
                2s
                   +0 :              -0.00008501914789
                3s
                   +0 :               0.00004596443116
                2p
                   -1 :               0.00011220929489
                   +0 :              -0.00009360774348
                   +1 :              -0.00002314764665
                3p
                   -1 :              -0.00011604004710
                   +0 :               0.00007915524566
                   +1 :              -0.00001250254208
                3d
                   -2 :              -0.00000038204681
                   -1 :              -0.00001127104777
                   +0 :               0.00001090573909
                   +1 :              -0.00000478665503
                   +2 :               0.00000668963444
             11 vec=    -2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000037996718
                2s
                   +0 :              -0.00001686757049
                3s
                   +0 :              -0.00002023913518
                2p
                   -1 :              -0.00010218646494
                   +0 :               0.00005247533161
                   +1 :              -0.00003694504460
                3p
                   -1 :               0.00009619605340
                   +0 :              -0.00000025641754
                   +1 :               0.00001171051364
                3d
                   -2 :              -0.00001237532148
                   -1 :              -0.00000775949357
                   +0 :              -0.00000502294490
                   +1 :               0.00000317548777
                   +2 :              -0.00000427169884
             12 vec=    -2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002256319354
                2s
                   +0 :               0.00015822973258
                3s
                   +0 :              -0.00009246703356
                2p
                   -1 :               0.00009922989294
                   +0 :               0.00009167304374
                   +1 :               0.00004893443753
                3p
                   -1 :              -0.00003974226444
                   +0 :              -0.00013267456861
                   +1 :              -0.00004783330549
                3d
                   -2 :               0.00001082847917
                   -1 :              -0.00000143639129
                   +0 :              -0.00002349066860
                   +1 :               0.00000759349733
                   +2 :              -0.00000024149333
             13 vec=   -10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001547685865
                2s
                   +0 :              -0.00011108347510
                3s
                   +0 :               0.00002199533738
                2p
                   -1 :              -0.00004947452937
                   +0 :               0.00007604257096
                   +1 :               0.00001657482426
                3p
                   -1 :               0.00008218379237
                   +0 :              -0.00000434536811
                   +1 :               0.00000921946983
                3d
                   -2 :              -0.00000915892466
                   -1 :              -0.00001097769287
                   +0 :              -0.00000032907642
                   +1 :              -0.00000048267868
                   +2 :               0.00000291112703
             14 vec=   -10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002195251269
                2s
                   +0 :               0.00012264450054
                3s
                   +0 :              -0.00008121261379
                2p
                   -1 :               0.00004436989896
                   +0 :               0.00006834396622
                   +1 :               0.00003813896869
                3p
                   -1 :               0.00000393845784
                   +0 :              -0.00009457524859
                   +1 :              -0.00000077478767
                3d
                   -2 :               0.00000314751401
                   -1 :              -0.00000423982594
                   +0 :              -0.00000862918551
                   +1 :               0.00000456592648
                   +2 :               0.00000529966427
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 23)  npairs=  14
              1 vec=     2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00007662730839
                2s
                   +0 :              -0.00051889130509
                3s
                   +0 :               0.00031397993021
                2p
                   -1 :               0.00018845408630
                   +0 :               0.00037206676643
                   +1 :              -0.00001174018399
                3p
                   -1 :              -0.00002236596629
                   +0 :              -0.00041552402434
                   +1 :               0.00004442303467
                3d
                   -2 :               0.00000299820668
                   -1 :              -0.00001382223795
                   +0 :               0.00005460194227
                   +1 :              -0.00001503988947
                   +2 :               0.00000959572001
              2 vec=     2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00007614079136
                2s
                   +0 :               0.00048150989552
                3s
                   +0 :              -0.00025082174493
                2p
                   -1 :               0.00026138104135
                   +0 :               0.00043484984536
                   +1 :               0.00004997585720
                3p
                   -1 :              -0.00023155249285
                   +0 :              -0.00033902421279
                   +1 :               0.00009567094576
                3d
                   -2 :               0.00000452475402
                   -1 :              -0.00001999246655
                   +0 :              -0.00003611844012
                   +1 :               0.00001895885660
                   +2 :               0.00000319466505
              3 vec=    -5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000388751029
                2s
                   +0 :               0.00000358890437
                3s
                   +0 :               0.00006518572909
                2p
                   -1 :              -0.00047552028196
                   +0 :               0.00027197696786
                   +1 :              -0.00012375743046
                3p
                   -1 :               0.00008014884094
                   +0 :              -0.00015858662400
                   +1 :               0.00000173144112
                3d
                   -2 :              -0.00000591536110
                   -1 :               0.00003103223781
                   +0 :               0.00002443938938
                   +1 :              -0.00000198016654
                   +2 :              -0.00001345331360
              4 vec=    -5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00006285319461
                2s
                   +0 :               0.00038245355657
                3s
                   +0 :              -0.00011695203975
                2p
                   -1 :              -0.00033884764978
                   +0 :              -0.00028079101729
                   +1 :              -0.00044802149633
                3p
                   -1 :              -0.00011187191002
                   +0 :               0.00016255139258
                   +1 :               0.00019491795389
                3d
                   -2 :               0.00000808052239
                   -1 :              -0.00002094994029
                   +0 :               0.00002417319004
                   +1 :              -0.00000424370809
                   +2 :              -0.00000374984361
              5 vec=     2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002142719448
                2s
                   +0 :               0.00029180559360
                3s
                   +0 :              -0.00000502377919
                2p
                   -1 :              -0.00004153395885
                   +0 :              -0.00010221341410
                   +1 :              -0.00005002970157
                3p
                   -1 :               0.00008685432009
                   +0 :              -0.00006150146580
                   +1 :               0.00001536310605
                3d
                   -2 :              -0.00000462434116
                   -1 :              -0.00001867034573
                   +0 :              -0.00000329691685
                   +1 :               0.00001473797658
                   +2 :              -0.00000207366582
              6 vec=     2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000111114534
                2s
                   +0 :               0.00023367439760
                3s
                   +0 :               0.00004895240383
                2p
                   -1 :               0.00041963706170
                   +0 :               0.00031780725927
                   +1 :              -0.00009058705755
                3p
                   -1 :              -0.00018623583295
                   +0 :              -0.00002257331783
                   +1 :              -0.00003720071802
                3d
                   -2 :              -0.00000232322462
                   -1 :               0.00001366333344
                   +0 :              -0.00000195312341
                   +1 :              -0.00001345822604
                   +2 :               0.00000481021402
              7 vec=    -5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001593119606
                2s
                   +0 :               0.00012733296333
                3s
                   +0 :              -0.00006792061910
                2p
                   -1 :              -0.00006031131079
                   +0 :              -0.00012140772657
                   +1 :              -0.00003631123886
                3p
                   -1 :               0.00001584902052
                   +0 :               0.00005138662468
                   +1 :               0.00002413869533
                3d
                   -2 :               0.00000769475724
                   -1 :               0.00000498739235
                   +0 :              -0.00001398046162
                   +1 :              -0.00000202485939
                   +2 :              -0.00001972474220
              8 vec=    -5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000239395372
                2s
                   +0 :              -0.00004389235275
                3s
                   +0 :               0.00005543126305
                2p
                   -1 :              -0.00001822311123
                   +0 :              -0.00004052805982
                   +1 :              -0.00008032980610
                3p
                   -1 :              -0.00004935938804
                   +0 :               0.00002398583249
                   +1 :               0.00010176111216
                3d
                   -2 :               0.00001037792926
                   -1 :               0.00000370775625
                   +0 :               0.00001615094437
                   +1 :               0.00000369320033
                   +2 :              -0.00000609968846
              9 vec=    10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000083738789
                2s
                   +0 :               0.00000926507459
                3s
                   +0 :               0.00001244864772
                2p
                   -1 :               0.00005315698103
                   +0 :               0.00010630878833
                   +1 :              -0.00001569931820
                3p
                   -1 :              -0.00009013078202
                   +0 :              -0.00007773137525
                   +1 :               0.00001563167089
                3d
                   -2 :              -0.00000213467813
                   -1 :               0.00001014315432
                   +0 :               0.00000688838873
                   +1 :              -0.00000785796357
                   +2 :               0.00000416538686
             10 vec=    10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001127356751
                2s
                   +0 :               0.00006484975829
                3s
                   +0 :              -0.00000337438548
                2p
                   -1 :               0.00015937322957
                   +0 :               0.00002902679173
                   +1 :               0.00020735024864
                3p
                   -1 :              -0.00017003330797
                   +0 :               0.00001062682179
                   +1 :              -0.00013506047460
                3d
                   -2 :              -0.00000920559391
                   -1 :              -0.00000623054078
                   +0 :              -0.00000712517097
                   +1 :              -0.00000971596292
                   +2 :              -0.00000943594690
             11 vec=     2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002406576618
                2s
                   +0 :               0.00015871135393
                3s
                   +0 :              -0.00010797281828
                2p
                   -1 :              -0.00000269457531
                   +0 :              -0.00020057170481
                   +1 :               0.00019583625429
                3p
                   -1 :               0.00001830843927
                   +0 :               0.00020697832719
                   +1 :              -0.00017928264822
                3d
                   -2 :               0.00001101118387
                   -1 :              -0.00000485409467
                   +0 :              -0.00002952662809
                   +1 :               0.00000796621975
                   +2 :               0.00000469670058
             12 vec=     2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000109926165
                2s
                   +0 :              -0.00000203269706
                3s
                   +0 :              -0.00001728025895
                2p
                   -1 :              -0.00013486946206
                   +0 :               0.00003678850436
                   +1 :              -0.00006193096988
                3p
                   -1 :               0.00012891981667
                   +0 :              -0.00007414207177
                   +1 :               0.00007300552207
                3d
                   -2 :               0.00001215664615
                   -1 :               0.00000673526538
                   +0 :              -0.00000621606334
                   +1 :               0.00000182617178
                   +2 :              -0.00000415314204
             13 vec=    10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000410499144
                2s
                   +0 :              -0.00002506013105
                3s
                   +0 :              -0.00004044868367
                2p
                   -1 :               0.00012237285073
                   +0 :              -0.00005920788651
                   +1 :               0.00004780916269
                3p
                   -1 :              -0.00004175174220
                   +0 :               0.00008913286617
                   +1 :              -0.00004256965953
                3d
                   -2 :               0.00000303569495
                   -1 :              -0.00000241006720
                   +0 :              -0.00001310326997
                   +1 :               0.00000264044532
                   +2 :               0.00001095481157
             14 vec=    10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001508388921
                2s
                   +0 :              -0.00010934960378
                3s
                   +0 :               0.00001282934540
                2p
                   -1 :              -0.00007711507210
                   +0 :              -0.00005483882787
                   +1 :              -0.00004995387162
                3p
                   -1 :               0.00011362610617
                   +0 :              -0.00001248060252
                   +1 :               0.00000003751930
                3d
                   -2 :               0.00001263381532
                   -1 :               0.00000849142056
                   +0 :               0.00000162271644
                   +1 :              -0.00000090032662
                   +2 :               0.00000606935545
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 24)  npairs=  18
              1 vec=     0.000000      3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00001780622683
                2s
                   +0 :               0.00024536697180
                3s
                   +0 :               0.00000036184510
                2p
                   -1 :               0.00005165064473
                   +0 :              -0.00009728453653
                   +1 :              -0.00018036115890
                3p
                   -1 :              -0.00001893347538
                   +0 :               0.00000891533943
                   +1 :               0.00011202998352
                3d
                   -2 :               0.00000203865895
                   -1 :              -0.00001332412274
                   +0 :              -0.00002397017735
                   +1 :               0.00000573669282
                   +2 :              -0.00000706670911
              2 vec=     0.000000      3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00000755642884
                2s
                   +0 :               0.00001972996199
                3s
                   +0 :               0.00005678658050
                2p
                   -1 :              -0.00033267617293
                   +0 :              -0.00004731920790
                   +1 :               0.00031159557816
                3p
                   -1 :               0.00020946400304
                   +0 :               0.00011542932722
                   +1 :              -0.00021284961158
                3d
                   -2 :              -0.00000790744059
                   -1 :               0.00000688383200
                   +0 :              -0.00002522988228
                   +1 :               0.00001578501715
                   +2 :              -0.00000940719437
              3 vec=     0.000000     -5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00005178244559
                2s
                   +0 :              -0.00043732970233
                3s
                   +0 :               0.00008773355205
                2p
                   -1 :               0.00008852902338
                   +0 :               0.00021012218837
                   +1 :               0.00029253825535
                3p
                   -1 :              -0.00005548130507
                   +0 :              -0.00003164058562
                   +1 :              -0.00019000024098
                3d
                   -2 :               0.00000639743976
                   -1 :              -0.00000592920550
                   +0 :               0.00001884553764
                   +1 :               0.00003404837593
                   +2 :              -0.00000967786586
              4 vec=     0.000000     -5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00007042393170
                2s
                   +0 :              -0.00049948859197
                3s
                   +0 :               0.00015519341260
                2p
                   -1 :              -0.00008496676441
                   +0 :              -0.00050166373074
                   +1 :              -0.00045828329321
                3p
                   -1 :               0.00013663253797
                   +0 :               0.00020821309912
                   +1 :               0.00032944989368
                3d
                   -2 :               0.00000481346085
                   -1 :               0.00000954698291
                   +0 :               0.00000924119747
                   +1 :               0.00003432123265
                   +2 :              -0.00002246037781
              5 vec=    -7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001563334287
                2s
                   +0 :              -0.00029742988663
                3s
                   +0 :              -0.00000869101241
                2p
                   -1 :               0.00010567934838
                   +0 :               0.00037963992327
                   +1 :               0.00015699923082
                3p
                   -1 :              -0.00010708981869
                   +0 :              -0.00008221560279
                   +1 :              -0.00005423165442
                3d
                   -2 :               0.00002532873891
                   -1 :               0.00000796865256
                   +0 :               0.00000897939763
                   +1 :              -0.00000622887630
                   +2 :              -0.00000287889448
              6 vec=    -7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000114718983
                2s
                   +0 :              -0.00010799372069
                3s
                   +0 :              -0.00002307635374
                2p
                   -1 :              -0.00021318193891
                   +0 :              -0.00024129605262
                   +1 :               0.00005215000050
                3p
                   -1 :               0.00017704972120
                   +0 :               0.00001445436583
                   +1 :              -0.00000606936043
                3d
                   -2 :              -0.00000406449281
                   -1 :               0.00001851135797
                   +0 :              -0.00001601313526
                   +1 :               0.00000358815425
                   +2 :               0.00000992231944
              7 vec=     7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000900941083
                2s
                   +0 :              -0.00010357568122
                3s
                   +0 :              -0.00006038108686
                2p
                   -1 :              -0.00016487088506
                   +0 :               0.00017168479739
                   +1 :              -0.00011633172963
                3p
                   -1 :               0.00016534984241
                   +0 :               0.00004278237376
                   +1 :               0.00008403905230
                3d
                   -2 :               0.00000732137950
                   -1 :              -0.00001679972589
                   +0 :              -0.00001126246246
                   +1 :              -0.00000451220090
                   +2 :               0.00000955573274
              8 vec=     7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003455886235
                2s
                   +0 :              -0.00040897432923
                3s
                   +0 :               0.00005347031289
                2p
                   -1 :               0.00002755974725
                   +0 :              -0.00060452042892
                   +1 :              -0.00038403281181
                3p
                   -1 :               0.00001540799595
                   +0 :               0.00016222630157
                   +1 :               0.00016977427822
                3d
                   -2 :              -0.00000333110924
                   -1 :              -0.00000167732752
                   +0 :              -0.00000024372334
                   +1 :               0.00000148653685
                   +2 :              -0.00000487512785
              9 vec=    -7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000166017370
                2s
                   +0 :              -0.00002960481324
                3s
                   +0 :               0.00000234524525
                2p
                   -1 :              -0.00004431141923
                   +0 :               0.00012809270561
                   +1 :               0.00007135304572
                3p
                   -1 :               0.00000104183044
                   +0 :              -0.00019252870726
                   +1 :              -0.00003201213457
                3d
                   -2 :               0.00003048499025
                   -1 :               0.00001161297418
                   +0 :               0.00002248464873
                   +1 :              -0.00000625145001
                   +2 :              -0.00001302965681
             10 vec=    -7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000575231337
                2s
                   +0 :              -0.00003209049532
                3s
                   +0 :               0.00001878778202
                2p
                   -1 :              -0.00011403794013
                   +0 :               0.00004010095834
                   +1 :              -0.00002769691767
                3p
                   -1 :               0.00006315781990
                   +0 :               0.00000975188191
                   +1 :               0.00000407675087
                3d
                   -2 :               0.00000113454640
                   -1 :               0.00000429899523
                   +0 :              -0.00000091674088
                   +1 :              -0.00000003147036
                   +2 :              -0.00000516331715
             11 vec=     7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001362970150
                2s
                   +0 :               0.00013524742459
                3s
                   +0 :              -0.00002527669533
                2p
                   -1 :               0.00002040480060
                   +0 :              -0.00004373224433
                   +1 :               0.00011001517528
                3p
                   -1 :              -0.00000184076617
                   +0 :              -0.00002603618223
                   +1 :              -0.00004804496692
                3d
                   -2 :               0.00000176984428
                   -1 :              -0.00000228004617
                   +0 :              -0.00000090855647
                   +1 :              -0.00000339782735
                   +2 :              -0.00000228156347
             12 vec=     7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000947053881
                2s
                   +0 :              -0.00003896483817
                3s
                   +0 :               0.00004729868772
                2p
                   -1 :               0.00002660407555
                   +0 :              -0.00010252231502
                   +1 :              -0.00002834489784
                3p
                   -1 :              -0.00001836118533
                   +0 :               0.00020369579114
                   +1 :               0.00008719670383
                3d
                   -2 :              -0.00000726038832
                   -1 :               0.00000084080988
                   +0 :               0.00001412730155
                   +1 :               0.00000414568536
                   +2 :               0.00000293406746
             13 vec=     0.000000     12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001315577783
                2s
                   +0 :               0.00014488742764
                3s
                   +0 :              -0.00001209907011
                2p
                   -1 :               0.00006090067215
                   +0 :              -0.00002142563859
                   +1 :               0.00000324023594
                3p
                   -1 :               0.00000368313203
                   +0 :              -0.00002418954089
                   +1 :              -0.00001735422427
                3d
                   -2 :               0.00000131010064
                   -1 :              -0.00000135713778
                   +0 :              -0.00000176753297
                   +1 :               0.00000111256767
                   +2 :               0.00000061461008
             14 vec=     0.000000     12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001734061304
                2s
                   +0 :               0.00016538824595
                3s
                   +0 :              -0.00003273568525
                2p
                   -1 :               0.00010030391759
                   +0 :               0.00006336401984
                   +1 :               0.00005357191597
                3p
                   -1 :              -0.00001006820042
                   +0 :               0.00001353410368
                   +1 :              -0.00004386826830
                3d
                   -2 :              -0.00000579933629
                   -1 :               0.00000230462734
                   +0 :               0.00000558714501
                   +1 :               0.00000029523714
                   +2 :              -0.00000415014043
             15 vec=    -7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001824945998
                2s
                   +0 :              -0.00014071012760
                3s
                   +0 :               0.00006258959275
                2p
                   -1 :               0.00001828539644
                   +0 :               0.00015150730601
                   +1 :               0.00008693815818
                3p
                   -1 :              -0.00004242665662
                   +0 :              -0.00008605131114
                   +1 :              -0.00005147590758
                3d
                   -2 :              -0.00000391967429
                   -1 :               0.00000334412489
                   +0 :               0.00000584278250
                   +1 :               0.00000449782094
                   +2 :               0.00000577071980
             16 vec=    -7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000742722729
                2s
                   +0 :              -0.00007176361836
                3s
                   +0 :               0.00003759224203
                2p
                   -1 :              -0.00002960584639
                   +0 :              -0.00001816383902
                   +1 :               0.00011699411274
                3p
                   -1 :               0.00001581749047
                   +0 :               0.00000182631527
                   +1 :              -0.00009289799229
                3d
                   -2 :               0.00000853573382
                   -1 :              -0.00000472367417
                   +0 :              -0.00000221498774
                   +1 :              -0.00000695132608
                   +2 :               0.00000447883580
             17 vec=     7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000886892361
                2s
                   +0 :              -0.00010108896242
                3s
                   +0 :               0.00002242535371
                2p
                   -1 :               0.00005319051472
                   +0 :              -0.00000743127819
                   +1 :              -0.00010198927517
                3p
                   -1 :              -0.00003401203685
                   +0 :               0.00001950273046
                   +1 :               0.00008645371402
                3d
                   -2 :              -0.00000729831811
                   -1 :              -0.00000077358837
                   +0 :               0.00000385055651
                   +1 :              -0.00000585513929
                   +2 :               0.00000330974900
             18 vec=     7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002564755981
                2s
                   +0 :              -0.00017185813618
                3s
                   +0 :               0.00008039510281
                2p
                   -1 :               0.00003988157270
                   +0 :              -0.00010540672571
                   +1 :              -0.00007570690116
                3p
                   -1 :              -0.00002228414768
                   +0 :               0.00002694010472
                   +1 :               0.00001976328407
                3d
                   -2 :               0.00000215637609
                   -1 :              -0.00000641300527
                   +0 :               0.00000088900283
                   +1 :              -0.00000145301617
                   +2 :              -0.00000291945599
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 25)  npairs=  14
              1 vec=    -0.209805      0.362794      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00020017398503
                2s
                   +0 :               0.00120048938088
                3s
                   +0 :              -0.00027919358998
                2p
                   -1 :              -0.00259647614421
                   +0 :               0.00198675320636
                   +1 :              -0.00220328657311
                3p
                   -1 :               0.00110992311432
                   +0 :              -0.00107870493686
                   +1 :               0.00186943152950
                3d
                   -2 :              -0.00002382223694
                   -1 :               0.00008497033391
                   +0 :              -0.00004356279987
                   +1 :               0.00010490248876
                   +2 :              -0.00008480800449
              2 vec=     7.570358     -4.129085      8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00007911482571
                2s
                   +0 :               0.00023737126522
                3s
                   +0 :              -0.00038227920901
                2p
                   -1 :              -0.00036689462943
                   +0 :              -0.00014704894894
                   +1 :               0.00029864575428
                3p
                   -1 :               0.00006672270073
                   +0 :              -0.00022385375502
                   +1 :              -0.00053439627877
                3d
                   -2 :              -0.00002577103091
                   -1 :              -0.00003932713556
                   +0 :               0.00001645822563
                   +1 :              -0.00005268165221
                   +2 :              -0.00005261492912
              3 vec=    -0.209805     -8.620964      8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00012374845610
                2s
                   +0 :               0.00069355665563
                3s
                   +0 :              -0.00033602372774
                2p
                   -1 :               0.00152906280993
                   +0 :               0.00059032832288
                   +1 :               0.00000067261129
                3p
                   -1 :              -0.00143874207455
                   +0 :              -0.00038663128571
                   +1 :              -0.00003426352607
                3d
                   -2 :               0.00002407430244
                   -1 :              -0.00007448110943
                   +0 :              -0.00003077209596
                   +1 :              -0.00007318170322
                   +2 :              -0.00010464799589
              4 vec=     7.570358      4.854673      8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00019668430160
                2s
                   +0 :              -0.00103267272329
                3s
                   +0 :               0.00075836172557
                2p
                   -1 :               0.00002363366312
                   +0 :              -0.00064089945013
                   +1 :              -0.00087641607015
                3p
                   -1 :              -0.00010270891110
                   +0 :               0.00057896735387
                   +1 :               0.00103939195635
                3d
                   -2 :               0.00002467654830
                   -1 :               0.00001782730477
                   +0 :               0.00004610663739
                   +1 :               0.00014389215644
                   +2 :               0.00010123244373
              5 vec=    -7.989968     -4.129085      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00007277281923
                2s
                   +0 :              -0.00067208444575
                3s
                   +0 :               0.00009794672104
                2p
                   -1 :               0.00031588534283
                   +0 :              -0.00030374022992
                   +1 :               0.00068238379023
                3p
                   -1 :              -0.00048836459919
                   +0 :               0.00003957196777
                   +1 :              -0.00026004765913
                3d
                   -2 :               0.00000225437574
                   -1 :              -0.00001771059619
                   +0 :              -0.00001284544611
                   +1 :               0.00000481770900
                   +2 :              -0.00006183200466
              6 vec=    -0.209805      9.346552      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00006401006400
                2s
                   +0 :               0.00088565271704
                3s
                   +0 :              -0.00012078592150
                2p
                   -1 :               0.00068179240961
                   +0 :               0.00052853286397
                   +1 :              -0.00017872469016
                3p
                   -1 :              -0.00029228447157
                   +0 :               0.00001793637562
                   +1 :               0.00015044061076
                3d
                   -2 :               0.00000979314539
                   -1 :               0.00002284134372
                   +0 :               0.00004477126067
                   +1 :               0.00003602310905
                   +2 :               0.00003072724349
              7 vec=    -7.989968      4.854673      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00001551386718
                2s
                   +0 :               0.00016475998862
                3s
                   +0 :              -0.00005491296640
                2p
                   -1 :              -0.00031293700132
                   +0 :               0.00049654343996
                   +1 :              -0.00056182373602
                3p
                   -1 :               0.00017559233332
                   +0 :              -0.00039788719528
                   +1 :               0.00034245044190
                3d
                   -2 :              -0.00000342744435
                   -1 :               0.00000795343133
                   +0 :              -0.00001076890698
                   +1 :               0.00003654604068
                   +2 :              -0.00000806229608
              8 vec=    -0.209805      0.362794    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00000485339232
                2s
                   +0 :               0.00001426578071
                3s
                   +0 :              -0.00000693156910
                2p
                   -1 :              -0.00001506890668
                   +0 :               0.00004670111116
                   +1 :              -0.00000401771598
                3p
                   -1 :              -0.00000251127895
                   +0 :              -0.00004670771960
                   +1 :               0.00000327403166
                3d
                   -2 :               0.00000320479136
                   -1 :               0.00000072125740
                   +0 :               0.00000239371243
                   +1 :              -0.00000216371952
                   +2 :               0.00000162179375
              9 vec=     7.570358    -13.112843      8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000652848950
                2s
                   +0 :               0.00000457070311
                3s
                   +0 :              -0.00006740191071
                2p
                   -1 :               0.00009295814937
                   +0 :              -0.00008096541989
                   +1 :               0.00006869628299
                3p
                   -1 :              -0.00000423391117
                   +0 :               0.00002568134014
                   +1 :              -0.00007484171080
                3d
                   -2 :               0.00000614504378
                   -1 :              -0.00000242613069
                   +0 :               0.00000421156517
                   +1 :              -0.00000286139229
                   +2 :              -0.00000138690133
             10 vec=    15.350520      0.362794      8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000804791994
                2s
                   +0 :              -0.00006253336696
                3s
                   +0 :               0.00002427432025
                2p
                   -1 :              -0.00012677353693
                   +0 :              -0.00005967864015
                   +1 :              -0.00003955483046
                3p
                   -1 :               0.00008971812521
                   +0 :               0.00004248631262
                   +1 :               0.00002424354495
                3d
                   -2 :               0.00000963597174
                   -1 :               0.00000305082990
                   +0 :              -0.00000254827680
                   +1 :               0.00001145905068
                   +2 :               0.00000598162532
             11 vec=    -7.989968    -13.112843      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000179097631
                2s
                   +0 :              -0.00004217048668
                3s
                   +0 :              -0.00001890184753
                2p
                   -1 :               0.00002095121997
                   +0 :              -0.00006378506066
                   +1 :              -0.00008648433035
                3p
                   -1 :               0.00004885726312
                   +0 :              -0.00000906283658
                   +1 :               0.00010442915897
                3d
                   -2 :              -0.00000671642157
                   -1 :               0.00000405907060
                   +0 :               0.00000428495687
                   +1 :              -0.00000347883611
                   +2 :               0.00000457275104
             12 vec=     7.570358     13.838431      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000336769813
                2s
                   +0 :               0.00003811255144
                3s
                   +0 :               0.00002152823337
                2p
                   -1 :               0.00002715618389
                   +0 :              -0.00002063487119
                   +1 :              -0.00009806697115
                3p
                   -1 :               0.00001641947850
                   +0 :               0.00004792553820
                   +1 :               0.00012519028616
                3d
                   -2 :               0.00000900506724
                   -1 :               0.00000254996045
                   +0 :               0.00000914214120
                   +1 :               0.00000819446958
                   +2 :               0.00000208962982
             13 vec=   -15.770130      0.362794      8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00001741808417
                2s
                   +0 :              -0.00011042948512
                3s
                   +0 :               0.00005421464609
                2p
                   -1 :              -0.00000568907579
                   +0 :              -0.00000954461648
                   +1 :               0.00003089511558
                3p
                   -1 :              -0.00001238653876
                   +0 :              -0.00000585353435
                   +1 :              -0.00001799802696
                3d
                   -2 :              -0.00000103107343
                   -1 :              -0.00000039020068
                   +0 :              -0.00000415324839
                   +1 :              -0.00000275361746
                   +2 :               0.00000295837310
             14 vec=    -7.989968     13.838431      8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00001447872231
                2s
                   +0 :               0.00012528739102
                3s
                   +0 :              -0.00003647669218
                2p
                   -1 :               0.00004776512676
                   +0 :               0.00005196063342
                   +1 :              -0.00009281593779
                3p
                   -1 :              -0.00000404645551
                   +0 :              -0.00002010411230
                   +1 :               0.00002808397409
                3d
                   -2 :              -0.00000134610939
                   -1 :              -0.00000135184184
                   +0 :               0.00000104347073
                   +1 :               0.00000193375496
                   +2 :               0.00000208767578
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 26)  npairs=  15
              1 vec=    -4.976970      0.362794      8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00045913680384
                2s
                   +0 :              -0.00343429271051
                3s
                   +0 :               0.00114842240792
                2p
                   -1 :              -0.00076617770507
                   +0 :              -0.00294182362875
                   +1 :               0.00082127392150
                3p
                   -1 :              -0.00019720091420
                   +0 :               0.00095743509665
                   +1 :               0.00015931772589
                3d
                   -2 :               0.00018820596023
                   -1 :              -0.00004802890574
                   +0 :              -0.00002820066033
                   +1 :               0.00007055694429
                   +2 :               0.00000278520432
              2 vec=     2.803193     -4.129085      8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00009564183100
                2s
                   +0 :              -0.00058681440192
                3s
                   +0 :               0.00010199147662
                2p
                   -1 :              -0.00261679943812
                   +0 :              -0.00103682043148
                   +1 :              -0.00113904701579
                3p
                   -1 :               0.00221323227529
                   +0 :               0.00084599126098
                   +1 :               0.00138650735936
                3d
                   -2 :               0.00000411271572
                   -1 :               0.00017993993111
                   +0 :               0.00000536095763
                   +1 :               0.00015654641915
                   +2 :               0.00000720880333
              3 vec=     2.803193      4.854673      8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00035608485682
                2s
                   +0 :               0.00302601809964
                3s
                   +0 :              -0.00056047787338
                2p
                   -1 :               0.00164404048267
                   +0 :               0.00156526675438
                   +1 :               0.00300956319916
                3p
                   -1 :              -0.00086453293816
                   +0 :               0.00047723643069
                   +1 :              -0.00122732631329
                3d
                   -2 :               0.00001126910294
                   -1 :              -0.00009736606874
                   +0 :               0.00007690525872
                   +1 :               0.00007476594051
                   +2 :               0.00011431201853
              4 vec=    -4.976970     -8.620964      8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00012192045117
                2s
                   +0 :              -0.00106678098759
                3s
                   +0 :               0.00041256236220
                2p
                   -1 :               0.00048657177854
                   +0 :              -0.00033563152040
                   +1 :              -0.00015890337567
                3p
                   -1 :              -0.00034197989941
                   +0 :               0.00010215110699
                   +1 :               0.00008979499887
                3d
                   -2 :               0.00003174018238
                   -1 :              -0.00003929902343
                   +0 :              -0.00002947279879
                   +1 :              -0.00000242844608
                   +2 :              -0.00003652130852
              5 vec=    -4.976970      9.346552      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00005589244364
                2s
                   +0 :               0.00080155534972
                3s
                   +0 :              -0.00014435860551
                2p
                   -1 :               0.00033407812192
                   +0 :               0.00043962361607
                   +1 :              -0.00004841091785
                3p
                   -1 :              -0.00009493400092
                   +0 :              -0.00020161752860
                   +1 :              -0.00016129417246
                3d
                   -2 :              -0.00002530514996
                   -1 :              -0.00001485047349
                   +0 :              -0.00001127869688
                   +1 :              -0.00000167017939
                   +2 :               0.00001688855852
              6 vec=    10.583355      0.362794      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00004445614643
                2s
                   +0 :               0.00019456427461
                3s
                   +0 :              -0.00009946012679
                2p
                   -1 :               0.00024085443463
                   +0 :               0.00013744569105
                   +1 :               0.00005248828238
                3p
                   -1 :              -0.00026355615836
                   +0 :              -0.00001984356130
                   +1 :              -0.00006240900244
                3d
                   -2 :              -0.00001052931151
                   -1 :              -0.00005604148882
                   +0 :              -0.00003346549905
                   +1 :               0.00001194504469
                   +2 :              -0.00000911566168
              7 vec=   -12.757133     -4.129085      8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00003145024634
                2s
                   +0 :              -0.00023267083589
                3s
                   +0 :               0.00010938210525
                2p
                   -1 :               0.00009366783857
                   +0 :              -0.00010361630648
                   +1 :               0.00017690377125
                3p
                   -1 :              -0.00010366363908
                   +0 :               0.00010742455972
                   +1 :              -0.00007187184052
                3d
                   -2 :               0.00000769131820
                   -1 :              -0.00001057152732
                   +0 :               0.00000724551400
                   +1 :              -0.00000289193169
                   +2 :              -0.00000674853663
              8 vec=     2.803193    -13.112843      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00000315728660
                2s
                   +0 :              -0.00006424801954
                3s
                   +0 :              -0.00003027682423
                2p
                   -1 :              -0.00006119939312
                   +0 :              -0.00002410218716
                   +1 :              -0.00003046038309
                3p
                   -1 :               0.00014933110256
                   +0 :              -0.00009194629529
                   +1 :               0.00003025042526
                3d
                   -2 :               0.00001392722886
                   -1 :               0.00000403805297
                   +0 :              -0.00000119050285
                   +1 :              -0.00002215625500
                   +2 :              -0.00001236441496
              9 vec=   -12.757133      4.854673      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00001977565189
                2s
                   +0 :              -0.00009492378988
                3s
                   +0 :               0.00007340006949
                2p
                   -1 :              -0.00003579476708
                   +0 :              -0.00000135496433
                   +1 :               0.00003697515669
                3p
                   -1 :               0.00003730777924
                   +0 :              -0.00000768621677
                   +1 :              -0.00006131433093
                3d
                   -2 :              -0.00000132777010
                   -1 :               0.00000145189140
                   +0 :               0.00000110574817
                   +1 :               0.00000086948370
                   +2 :               0.00000365317227
             10 vec=    10.583355     -8.620964      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00002872584669
                2s
                   +0 :              -0.00022414143089
                3s
                   +0 :               0.00006147693982
                2p
                   -1 :              -0.00003149348355
                   +0 :              -0.00003067427043
                   +1 :              -0.00021333399053
                3p
                   -1 :               0.00003665623853
                   +0 :              -0.00007011830193
                   +1 :               0.00013403805006
                3d
                   -2 :              -0.00000624839931
                   -1 :               0.00001167834894
                   +0 :              -0.00000056801165
                   +1 :              -0.00000656296747
                   +2 :               0.00001157237640
             11 vec=     2.803193     13.838431      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00001922540951
                2s
                   +0 :               0.00017386995527
                3s
                   +0 :              -0.00003943064789
                2p
                   -1 :               0.00020297921491
                   +0 :               0.00014014178306
                   +1 :               0.00010566630041
                3p
                   -1 :              -0.00007616227089
                   +0 :              -0.00005835469640
                   +1 :              -0.00008298166018
                3d
                   -2 :              -0.00000322579561
                   -1 :              -0.00000745351966
                   +0 :              -0.00000133967749
                   +1 :              -0.00000712905091
                   +2 :               0.00000356931089
             12 vec=    10.583355      9.346552      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00000386006756
                2s
                   +0 :               0.00005503971751
                3s
                   +0 :               0.00001261458007
                2p
                   -1 :              -0.00003222320481
                   +0 :              -0.00003767551429
                   +1 :               0.00011220087854
                3p
                   -1 :               0.00005010656057
                   +0 :               0.00007348592854
                   +1 :              -0.00004063027413
                3d
                   -2 :              -0.00000446262285
                   -1 :               0.00000504361813
                   +0 :               0.00000412243021
                   +1 :              -0.00000263303213
                   +2 :               0.00000094923695
             13 vec=    -4.976970      0.362794    -16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000886461494
                2s
                   +0 :               0.00009351157766
                3s
                   +0 :              -0.00001756292250
                2p
                   -1 :              -0.00007676733160
                   +0 :              -0.00003592930100
                   +1 :              -0.00000538536117
                3p
                   -1 :               0.00003685926636
                   +0 :              -0.00000142848767
                   +1 :              -0.00000959962757
                3d
                   -2 :              -0.00000376455322
                   -1 :               0.00000227118016
                   +0 :               0.00000850241122
                   +1 :               0.00000476638113
                   +2 :               0.00000063104822
             14 vec=     2.803193     -4.129085    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00000466860432
                2s
                   +0 :              -0.00007395519818
                3s
                   +0 :              -0.00000117569359
                2p
                   -1 :              -0.00003370493540
                   +0 :               0.00002686281314
                   +1 :              -0.00005876306177
                3p
                   -1 :               0.00003261699433
                   +0 :               0.00001015911609
                   +1 :               0.00003817089806
                3d
                   -2 :               0.00000046738326
                   -1 :              -0.00000277781444
                   +0 :               0.00000185777999
                   +1 :              -0.00000587873071
                   +2 :               0.00000069054644
             15 vec=     2.803193      4.854673    -16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000499539512
                2s
                   +0 :               0.00003683236008
                3s
                   +0 :              -0.00000610746010
                2p
                   -1 :              -0.00007302529448
                   +0 :              -0.00000418365384
                   +1 :               0.00004325457604
                3p
                   -1 :               0.00003518290701
                   +0 :               0.00000314601313
                   +1 :              -0.00000331966024
                3d
                   -2 :              -0.00000091891297
                   -1 :               0.00000225048415
                   +0 :               0.00000015258307
                   +1 :              -0.00000241112385
                   +2 :              -0.00000007694033
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 27)  npairs=  15
              1 vec=    -2.593388      4.491280      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00028109477374
                2s
                   +0 :               0.00224921432562
                3s
                   +0 :              -0.00027138309969
                2p
                   -1 :               0.00003244790589
                   +0 :               0.00251590246904
                   +1 :              -0.00109104749094
                3p
                   -1 :               0.00024043782001
                   +0 :              -0.00024788749988
                   +1 :              -0.00074888527857
                3d
                   -2 :              -0.00010755372637
                   -1 :               0.00001644262151
                   +0 :              -0.00000464226213
                   +1 :              -0.00027885926269
                   +2 :               0.00007113256960
              2 vec=     5.186775     -0.000599      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00017845038098
                2s
                   +0 :              -0.00188302315655
                3s
                   +0 :               0.00012024728050
                2p
                   -1 :               0.00008111765434
                   +0 :              -0.00172061671280
                   +1 :              -0.00042413883037
                3p
                   -1 :              -0.00043028970115
                   +0 :              -0.00022211702785
                   +1 :              -0.00056243917088
                3d
                   -2 :              -0.00007613483579
                   -1 :               0.00004863432249
                   +0 :              -0.00008642708008
                   +1 :              -0.00019316263337
                   +2 :              -0.00002050259626
              3 vec=    -2.593388     -4.492478      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00001129808938
                2s
                   +0 :              -0.00037483294033
                3s
                   +0 :              -0.00009580209322
                2p
                   -1 :              -0.00113828970506
                   +0 :              -0.00019786315321
                   +1 :               0.00038343473957
                3p
                   -1 :               0.00132795445576
                   +0 :              -0.00028568737052
                   +1 :              -0.00087391944915
                3d
                   -2 :               0.00006257412568
                   -1 :               0.00018606697094
                   +0 :               0.00006293034393
                   +1 :              -0.00003872664948
                   +2 :               0.00000976180905
              4 vec=     5.186775      8.983159      8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00001893122753
                2s
                   +0 :               0.00039204620145
                3s
                   +0 :               0.00007577320640
                2p
                   -1 :               0.00036251238215
                   +0 :               0.00045413953217
                   +1 :               0.00046714851841
                3p
                   -1 :              -0.00017716550117
                   +0 :              -0.00038711748545
                   +1 :              -0.00019189242429
                3d
                   -2 :              -0.00000076100867
                   -1 :              -0.00002785569391
                   +0 :              -0.00004856995853
                   +1 :              -0.00000401779146
                   +2 :              -0.00001656599603
              5 vec=   -10.373550     -0.000599      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001018278825
                2s
                   +0 :              -0.00000306586641
                3s
                   +0 :              -0.00006285526370
                2p
                   -1 :              -0.00024495860888
                   +0 :               0.00007355029223
                   +1 :              -0.00021132098383
                3p
                   -1 :               0.00019444169507
                   +0 :              -0.00001118678735
                   +1 :               0.00020849858406
                3d
                   -2 :               0.00002180537015
                   -1 :              -0.00001376202429
                   +0 :              -0.00000091946172
                   +1 :               0.00000578311747
                   +2 :              -0.00002221778221
              6 vec=     5.186775     -8.984357      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00002364178654
                2s
                   +0 :              -0.00027373876000
                3s
                   +0 :              -0.00002577475890
                2p
                   -1 :               0.00059565462050
                   +0 :              -0.00009398314530
                   +1 :               0.00047766496610
                3p
                   -1 :              -0.00040449701397
                   +0 :              -0.00017132282842
                   +1 :              -0.00040068712471
                3d
                   -2 :              -0.00004619775623
                   -1 :               0.00000071601678
                   +0 :              -0.00003999189391
                   +1 :               0.00001539751028
                   +2 :              -0.00002097740953
              7 vec=    -2.593388     13.475038      8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00001162984742
                2s
                   +0 :              -0.00001519851751
                3s
                   +0 :               0.00006155089001
                2p
                   -1 :               0.00006391345260
                   +0 :               0.00005696845488
                   +1 :              -0.00000336546882
                3p
                   -1 :              -0.00000003000521
                   +0 :              -0.00000304162069
                   +1 :               0.00000214850604
                3d
                   -2 :              -0.00000484183776
                   -1 :              -0.00000056369411
                   +0 :              -0.00000161623744
                   +1 :              -0.00000591903302
                   +2 :              -0.00000186578204
              8 vec=   -10.373550      8.983159      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00000540350958
                2s
                   +0 :               0.00005447772488
                3s
                   +0 :              -0.00001329285680
                2p
                   -1 :              -0.00008048413919
                   +0 :               0.00005673158369
                   +1 :              -0.00005570253693
                3p
                   -1 :               0.00006740089971
                   +0 :              -0.00000974534003
                   +1 :               0.00001899051792
                3d
                   -2 :              -0.00000131247828
                   -1 :               0.00000258094703
                   +0 :               0.00000059490363
                   +1 :              -0.00000112238261
                   +2 :              -0.00000501234123
              9 vec=    12.966938      4.491280      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000631420774
                2s
                   +0 :               0.00007308506399
                3s
                   +0 :              -0.00001485368774
                2p
                   -1 :               0.00000591744633
                   +0 :               0.00006003431574
                   +1 :               0.00008957693829
                3p
                   -1 :              -0.00003161532556
                   +0 :              -0.00003544582468
                   +1 :              -0.00002176819886
                3d
                   -2 :               0.00001191452976
                   -1 :              -0.00001468376832
                   +0 :               0.00001085452771
                   +1 :              -0.00000290959314
                   +2 :              -0.00001048357627
             10 vec=    12.966938     -4.492478      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000602633431
                2s
                   +0 :              -0.00002473083135
                3s
                   +0 :              -0.00002346863893
                2p
                   -1 :               0.00008356131445
                   +0 :               0.00006042785043
                   +1 :              -0.00017363231559
                3p
                   -1 :              -0.00008464166264
                   +0 :              -0.00005285032741
                   +1 :               0.00011079596141
                3d
                   -2 :               0.00000124188390
                   -1 :               0.00000617327270
                   +0 :              -0.00001176687358
                   +1 :              -0.00000733601091
                   +2 :               0.00001157578714
             11 vec=   -10.373550     -8.984357      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00001286326026
                2s
                   +0 :               0.00001964770569
                3s
                   +0 :              -0.00004601000396
                2p
                   -1 :              -0.00015223630173
                   +0 :              -0.00018985590779
                   +1 :               0.00003137392675
                3p
                   -1 :               0.00013334674793
                   +0 :               0.00007341100855
                   +1 :               0.00001820349834
                3d
                   -2 :               0.00000177401137
                   -1 :              -0.00000733646710
                   +0 :              -0.00000521639531
                   +1 :               0.00000546096047
                   +2 :               0.00000613186048
             12 vec=    -2.593388    -13.476236      8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00002098398777
                2s
                   +0 :               0.00010215841716
                3s
                   +0 :              -0.00009067033485
                2p
                   -1 :              -0.00006721433008
                   +0 :              -0.00031786064440
                   +1 :              -0.00016237357326
                3p
                   -1 :               0.00011724781132
                   +0 :               0.00021798876431
                   +1 :               0.00013274646789
                3d
                   -2 :              -0.00002123329044
                   -1 :              -0.00000087244573
                   +0 :               0.00002677704981
                   +1 :               0.00001824437539
                   +2 :               0.00000840941410
             13 vec=    -2.593388      4.491280    -16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000900176905
                2s
                   +0 :               0.00008298410512
                3s
                   +0 :              -0.00002103695588
                2p
                   -1 :               0.00004724422915
                   +0 :              -0.00003429990747
                   +1 :              -0.00003812908255
                3p
                   -1 :              -0.00006099937270
                   +0 :              -0.00000326985660
                   +1 :              -0.00000092166015
                3d
                   -2 :              -0.00000067647064
                   -1 :               0.00000431126344
                   +0 :               0.00000285036925
                   +1 :               0.00000535480309
                   +2 :               0.00000185395095
             14 vec=     5.186775     -0.000599    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001146634091
                2s
                   +0 :               0.00006517572633
                3s
                   +0 :              -0.00003156457560
                2p
                   -1 :               0.00000605412174
                   +0 :              -0.00003135783542
                   +1 :               0.00002036621588
                3p
                   -1 :              -0.00002489144473
                   +0 :              -0.00000049743289
                   +1 :               0.00001771656487
                3d
                   -2 :              -0.00000314500404
                   -1 :               0.00000126420287
                   +0 :               0.00000202545424
                   +1 :              -0.00000441658092
                   +2 :               0.00000419835471
             15 vec=    -2.593388     -4.492478    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000284201158
                2s
                   +0 :              -0.00003734032723
                3s
                   +0 :              -0.00000313784718
                2p
                   -1 :              -0.00001368052326
                   +0 :               0.00001754783525
                   +1 :               0.00001890807300
                3p
                   -1 :               0.00000529946402
                   +0 :               0.00001711129583
                   +1 :              -0.00000177982173
                3d
                   -2 :              -0.00000051888987
                   -1 :              -0.00000022292740
                   +0 :              -0.00000511797456
                   +1 :              -0.00000184382397
                   +2 :               0.00000003409443
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 28)  npairs=  14
              1 vec=     2.802674     -1.376461     -4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00117330741668
                2s
                   +0 :              -0.00883020970324
                3s
                   +0 :              -0.00366768637798
                2p
                   -1 :              -0.00164574629702
                   +0 :               0.01081675193193
                   +1 :              -0.00066840157588
                3p
                   -1 :              -0.00124889127343
                   +0 :              -0.00119167374567
                   +1 :              -0.00781398055696
                3d
                   -2 :              -0.00013977038731
                   -1 :               0.00014758601489
                   +0 :               0.00003952141956
                   +1 :               0.00147248439649
                   +2 :              -0.00089436608390
              2 vec=    -4.977489      3.115418     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00075180329122
                2s
                   +0 :               0.00726788974514
                3s
                   +0 :              -0.00321616786618
                2p
                   -1 :               0.00777755757538
                   +0 :              -0.00721034254381
                   +1 :              -0.00850561969404
                3p
                   -1 :              -0.00699261979786
                   +0 :               0.00463771366336
                   +1 :               0.00592613320196
                3d
                   -2 :               0.00062167022046
                   -1 :               0.00046011937448
                   +0 :              -0.00019228262297
                   +1 :              -0.00049659803821
                   +2 :              -0.00021039916951
              3 vec=    -4.977489     -5.868340     -4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00028451941745
                2s
                   +0 :              -0.00165705297741
                3s
                   +0 :               0.00064797604051
                2p
                   -1 :              -0.00077973625087
                   +0 :               0.00340197855765
                   +1 :               0.00208611393816
                3p
                   -1 :               0.00028858494430
                   +0 :              -0.00026369327857
                   +1 :              -0.00081950194514
                3d
                   -2 :               0.00001343424579
                   -1 :               0.00008739156732
                   +0 :              -0.00022138046274
                   +1 :              -0.00014341559363
                   +2 :               0.00004625853385
              4 vec=     2.802674      7.607297     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00012326296024
                2s
                   +0 :               0.00050807342180
                3s
                   +0 :               0.00008100668761
                2p
                   -1 :               0.00104949377833
                   +0 :              -0.00186666531643
                   +1 :              -0.00193020138455
                3p
                   -1 :              -0.00041896709131
                   +0 :              -0.00001485674048
                   +1 :               0.00171642355642
                3d
                   -2 :               0.00003096004665
                   -1 :              -0.00008384956758
                   +0 :               0.00005377306334
                   +1 :               0.00000990814555
                   +2 :              -0.00004897394415
              5 vec=     2.802674    -10.360219     -4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00022432632535
                2s
                   +0 :               0.00093766501974
                3s
                   +0 :              -0.00084743346783
                2p
                   -1 :              -0.00093856081581
                   +0 :               0.00054300161099
                   +1 :               0.00089030927389
                3p
                   -1 :               0.00125706901832
                   +0 :              -0.00003181053293
                   +1 :              -0.00086242017190
                3d
                   -2 :               0.00007202243163
                   -1 :               0.00001379231186
                   +0 :              -0.00000715263384
                   +1 :              -0.00003388827743
                   +2 :               0.00003352642221
              6 vec=    10.582837      3.115418     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00002419040932
                2s
                   +0 :              -0.00020501903325
                3s
                   +0 :               0.00017563171799
                2p
                   -1 :               0.00000488891411
                   +0 :              -0.00028410543054
                   +1 :              -0.00009858877203
                3p
                   -1 :              -0.00013659253889
                   +0 :               0.00023590612569
                   +1 :               0.00019781105124
                3d
                   -2 :               0.00000848041178
                   -1 :              -0.00000259031308
                   +0 :              -0.00004718263699
                   +1 :              -0.00000051037180
                   +2 :               0.00005091940406
              7 vec=    10.582837     -5.868340     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00005103243332
                2s
                   +0 :               0.00004000604232
                3s
                   +0 :              -0.00022410304390
                2p
                   -1 :               0.00002763039131
                   +0 :               0.00009604061924
                   +1 :               0.00066221869764
                3p
                   -1 :               0.00010595192385
                   +0 :               0.00003253964749
                   +1 :              -0.00060671285488
                3d
                   -2 :               0.00001392880037
                   -1 :              -0.00002785264326
                   +0 :               0.00000882963240
                   +1 :               0.00000196849036
                   +2 :               0.00000555902697
              8 vec=   -12.757651     -1.376461     -4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00006528991448
                2s
                   +0 :               0.00029956230261
                3s
                   +0 :              -0.00016824285353
                2p
                   -1 :               0.00042868282661
                   +0 :               0.00016942942146
                   +1 :              -0.00025284360012
                3p
                   -1 :              -0.00041263765918
                   +0 :              -0.00016008998227
                   +1 :               0.00029939794143
                3d
                   -2 :               0.00005152272909
                   -1 :               0.00000138007057
                   +0 :              -0.00000179086904
                   +1 :               0.00003807674408
                   +2 :              -0.00001946938167
              9 vec=    -4.977489     12.099176     -4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00003373066333
                2s
                   +0 :               0.00026697569748
                3s
                   +0 :               0.00016001308753
                2p
                   -1 :               0.00062767123697
                   +0 :               0.00000391181368
                   +1 :              -0.00057187691306
                3p
                   -1 :              -0.00039524089243
                   +0 :              -0.00005895299964
                   +1 :               0.00044251565393
                3d
                   -2 :               0.00002716989282
                   -1 :               0.00003474179308
                   +0 :               0.00002333458687
                   +1 :              -0.00000486719461
                   +2 :              -0.00001408300550
             10 vec=   -12.757651      7.607297     -4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00002860371751
                2s
                   +0 :              -0.00015766412221
                3s
                   +0 :               0.00014764390705
                2p
                   -1 :              -0.00005812124309
                   +0 :              -0.00002382452299
                   +1 :               0.00015644490499
                3p
                   -1 :               0.00003867999615
                   +0 :              -0.00001314140933
                   +1 :              -0.00018662674273
                3d
                   -2 :              -0.00000303670083
                   -1 :               0.00000699742185
                   +0 :               0.00000876813191
                   +1 :               0.00000978447874
                   +2 :               0.00001152397782
             11 vec=    -4.977489    -14.852098     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00000115114664
                2s
                   +0 :              -0.00005091971949
                3s
                   +0 :              -0.00005363675321
                2p
                   -1 :              -0.00009521266190
                   +0 :               0.00004658668920
                   +1 :               0.00004589680004
                3p
                   -1 :               0.00022739452496
                   +0 :               0.00004032416287
                   +1 :               0.00000278317802
                3d
                   -2 :              -0.00001328674558
                   -1 :              -0.00001014346163
                   +0 :               0.00001691556195
                   +1 :               0.00000105808604
                   +2 :               0.00001528994273
             12 vec=    10.582837     12.099176     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00000647459095
                2s
                   +0 :               0.00009056981743
                3s
                   +0 :              -0.00002615845241
                2p
                   -1 :              -0.00000718080229
                   +0 :               0.00007966838179
                   +1 :               0.00003699478797
                3p
                   -1 :               0.00004516283939
                   +0 :              -0.00007178380146
                   +1 :               0.00001827878352
                3d
                   -2 :               0.00000843225412
                   -1 :               0.00000310389574
                   +0 :              -0.00000016798728
                   +1 :               0.00000568615266
                   +2 :              -0.00001384563690
             13 vec=   -12.757651    -10.360219     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00002064208568
                2s
                   +0 :              -0.00012412961862
                3s
                   +0 :               0.00005479185222
                2p
                   -1 :               0.00008671105132
                   +0 :              -0.00007443938662
                   +1 :               0.00006623591919
                3p
                   -1 :              -0.00005774061917
                   +0 :               0.00005337348711
                   +1 :              -0.00002917930526
                3d
                   -2 :               0.00000064388257
                   -1 :               0.00000239606223
                   +0 :              -0.00000112780677
                   +1 :              -0.00000088443729
                   +2 :              -0.00000167336289
             14 vec=     2.802674     16.591055     -4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00001624492136
                2s
                   +0 :               0.00014052432733
                3s
                   +0 :              -0.00004328581598
                2p
                   -1 :               0.00011980918840
                   +0 :              -0.00006158672702
                   +1 :              -0.00009287479572
                3p
                   -1 :              -0.00004811948273
                   +0 :               0.00004099093801
                   +1 :               0.00007763430472
                3d
                   -2 :               0.00000093986702
                   -1 :               0.00000304613831
                   +0 :              -0.00000010607896
                   +1 :              -0.00000500041509
                   +2 :              -0.00000555267913
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 29)  npairs=  14
              1 vec=    -0.209286      3.115418     -4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00164307693844
                2s
                   +0 :               0.04252476355200
                3s
                   +0 :              -0.00259826345666
                2p
                   -1 :               0.01575172954902
                   +0 :              -0.02440312142637
                   +1 :               0.00350753958654
                3p
                   -1 :              -0.00277396268075
                   +0 :              -0.00125405141325
                   +1 :              -0.00301530451814
                3d
                   -2 :              -0.00027469533276
                   -1 :              -0.00189078999059
                   +0 :               0.00180106622732
                   +1 :               0.00053069385378
                   +2 :              -0.00042195757320
              2 vec=    -0.209286     -5.868340     -4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00170563561485
                2s
                   +0 :              -0.01062025982395
                3s
                   +0 :               0.00568345154421
                2p
                   -1 :               0.01061084578136
                   +0 :               0.00019348823037
                   +1 :              -0.00105700201293
                3p
                   -1 :              -0.00829727445001
                   +0 :               0.00072404918844
                   +1 :               0.00128587394364
                3d
                   -2 :              -0.00011176192525
                   -1 :               0.00026407899077
                   +0 :              -0.00028974714078
                   +1 :               0.00004024482713
                   +2 :              -0.00054932161837
              3 vec=     7.570876     -1.376461     -4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00017975760800
                2s
                   +0 :              -0.00092483649257
                3s
                   +0 :               0.00034613501618
                2p
                   -1 :               0.00049211737496
                   +0 :              -0.00252385059619
                   +1 :              -0.00242966390525
                3p
                   -1 :              -0.00061026299395
                   +0 :               0.00110669538895
                   +1 :               0.00106128006659
                3d
                   -2 :              -0.00008689589475
                   -1 :               0.00019205243786
                   +0 :               0.00009946314061
                   +1 :              -0.00003955978818
                   +2 :              -0.00004101865657
              4 vec=    -7.989449     -1.376461     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00000645876197
                2s
                   +0 :              -0.00009168430236
                3s
                   +0 :               0.00002743201498
                2p
                   -1 :              -0.00064908719707
                   +0 :              -0.00086040448737
                   +1 :               0.00360934841389
                3p
                   -1 :               0.00033331402246
                   +0 :               0.00010172606528
                   +1 :              -0.00289213045134
                3d
                   -2 :               0.00000291255751
                   -1 :              -0.00007377580323
                   +0 :              -0.00000740431060
                   +1 :               0.00007033343228
                   +2 :               0.00007635152509
              5 vec=     7.570876      7.607297     -4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00014486782465
                2s
                   +0 :               0.00123162184720
                3s
                   +0 :              -0.00052194481506
                2p
                   -1 :               0.00057804785892
                   +0 :              -0.00006137003546
                   +1 :               0.00116095154806
                3p
                   -1 :              -0.00036948938346
                   +0 :              -0.00013626643528
                   +1 :              -0.00081707608767
                3d
                   -2 :              -0.00003240980017
                   -1 :              -0.00006048892846
                   +0 :              -0.00001939758213
                   +1 :               0.00000855217553
                   +2 :              -0.00004848479841
              6 vec=    -7.989449      7.607297     -4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00002977503609
                2s
                   +0 :               0.00025381242320
                3s
                   +0 :               0.00002796657879
                2p
                   -1 :              -0.00062469324179
                   +0 :              -0.00012944593166
                   +1 :              -0.00017524894847
                3p
                   -1 :               0.00059635069364
                   +0 :              -0.00000883865247
                   +1 :              -0.00007366596922
                3d
                   -2 :              -0.00009470845615
                   -1 :               0.00004127701152
                   +0 :              -0.00001692185103
                   +1 :               0.00001840542819
                   +2 :              -0.00002822813558
              7 vec=    -0.209286     12.099176     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00004123484496
                2s
                   +0 :               0.00078293162365
                3s
                   +0 :              -0.00013181223802
                2p
                   -1 :               0.00013728143491
                   +0 :               0.00010994132043
                   +1 :               0.00036817518153
                3p
                   -1 :              -0.00003078801936
                   +0 :              -0.00014080734704
                   +1 :              -0.00024415516816
                3d
                   -2 :              -0.00003387809366
                   -1 :              -0.00000303102753
                   +0 :               0.00002107574503
                   +1 :              -0.00001729498742
                   +2 :               0.00000417129928
              8 vec=     7.570876    -10.360219     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00002265674919
                2s
                   +0 :              -0.00060776441751
                3s
                   +0 :              -0.00002311564760
                2p
                   -1 :              -0.00025050824730
                   +0 :               0.00051867504598
                   +1 :              -0.00075572091479
                3p
                   -1 :               0.00018832162417
                   +0 :              -0.00006477136350
                   +1 :               0.00055588420509
                3d
                   -2 :              -0.00000183409143
                   -1 :               0.00000159808699
                   +0 :              -0.00001798739912
                   +1 :               0.00001798444084
                   +2 :               0.00002000196889
              9 vec=    -7.989449    -10.360219     -4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00006524730542
                2s
                   +0 :              -0.00071657903485
                3s
                   +0 :               0.00009640783197
                2p
                   -1 :               0.00009671549617
                   +0 :               0.00042473872332
                   +1 :              -0.00008186449490
                3p
                   -1 :              -0.00009600602139
                   +0 :              -0.00002901503800
                   +1 :               0.00022363403323
                3d
                   -2 :               0.00001824613423
                   -1 :               0.00002119799595
                   +0 :              -0.00002050079512
                   +1 :              -0.00003024395827
                   +2 :              -0.00001235605544
             10 vec=    -0.209286    -14.852098     -4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00003500069809
                2s
                   +0 :              -0.00026093081738
                3s
                   +0 :               0.00006033906104
                2p
                   -1 :               0.00017321820747
                   +0 :               0.00007747391387
                   +1 :               0.00006998430119
                3p
                   -1 :              -0.00003891561181
                   +0 :              -0.00003145700437
                   +1 :              -0.00005549083826
                3d
                   -2 :               0.00001134591170
                   -1 :               0.00000137323548
                   +0 :              -0.00000301247966
                   +1 :               0.00000178060867
                   +2 :               0.00000882426553
             11 vec=    15.351039      3.115418     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00001289443060
                2s
                   +0 :               0.00010355643748
                3s
                   +0 :              -0.00005827578426
                2p
                   -1 :              -0.00000642487817
                   +0 :              -0.00005146794948
                   +1 :               0.00008146406004
                3p
                   -1 :              -0.00001599640815
                   +0 :               0.00004523292845
                   +1 :              -0.00003974476587
                3d
                   -2 :              -0.00000251142039
                   -1 :               0.00000341456157
                   +0 :              -0.00000831772926
                   +1 :               0.00000843154933
                   +2 :               0.00000207775887
             12 vec=   -15.769612      3.115418     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00000796348889
                2s
                   +0 :               0.00005672282392
                3s
                   +0 :              -0.00001572684352
                2p
                   -1 :              -0.00001512036779
                   +0 :               0.00004183495061
                   +1 :              -0.00006280275339
                3p
                   -1 :              -0.00000214780118
                   +0 :              -0.00004908304351
                   +1 :               0.00002289990453
                3d
                   -2 :              -0.00000673365142
                   -1 :              -0.00000085858130
                   +0 :              -0.00000495670982
                   +1 :               0.00000514495529
                   +2 :               0.00000192739726
             13 vec=    15.351039     -5.868340     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00001141501542
                2s
                   +0 :              -0.00008282838990
                3s
                   +0 :               0.00001364069929
                2p
                   -1 :              -0.00003947367169
                   +0 :              -0.00002286645850
                   +1 :              -0.00008587239019
                3p
                   -1 :               0.00004005236183
                   +0 :               0.00002749940128
                   +1 :               0.00004124730766
                3d
                   -2 :               0.00000788716930
                   -1 :               0.00000257041022
                   +0 :              -0.00000189680639
                   +1 :              -0.00000340623546
                   +2 :               0.00000369065601
             14 vec=   -15.769612     -5.868340     -4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00000600948426
                2s
                   +0 :               0.00000831853106
                3s
                   +0 :              -0.00002826658737
                2p
                   -1 :              -0.00006921800607
                   +0 :               0.00001210380078
                   +1 :               0.00000702601890
                3p
                   -1 :               0.00007833511021
                   +0 :               0.00001089474179
                   +1 :               0.00002613583074
                3d
                   -2 :              -0.00000789729120
                   -1 :              -0.00000317598325
                   +0 :              -0.00000196040744
                   +1 :               0.00000246083098
                   +2 :               0.00000213799579
WF             site_B          number of pairs
WF( 30)=[O_9_2py]  to site O ( 30)  npairs=  14
              1 vec=    -2.593388     -1.013967     -4.091257   |vec|=    4.948957
                1s
                   +0 :               0.00019211567326
                2s
                   +0 :              -0.01599451978720
                3s
                   +0 :              -0.00014981450889
                2p
                   -1 :              -0.00598952273242
                   +0 :               0.01345282381376
                   +1 :               0.00503966084470
                3p
                   -1 :              -0.00055506646819
                   +0 :              -0.00430415378788
                   +1 :               0.00397709627960
                3d
                   -2 :               0.00041667784607
                   -1 :               0.00115535750137
                   +0 :               0.00018983421012
                   +1 :              -0.00058154354318
                   +2 :              -0.00110797883897
              2 vec=     5.186775      3.477912     -4.091257   |vec|=    7.465715
                1s
                   +0 :               0.00020722661722
                2s
                   +0 :              -0.00111723583340
                3s
                   +0 :               0.00069369644624
                2p
                   -1 :              -0.00102571584440
                   +0 :               0.00236028674701
                   +1 :               0.00326568191895
                3p
                   -1 :               0.00120622399949
                   +0 :              -0.00280617870869
                   +1 :              -0.00197604892063
                3d
                   -2 :              -0.00010444694679
                   -1 :               0.00018506381052
                   +0 :               0.00016770537417
                   +1 :               0.00013899854843
                   +2 :              -0.00011511658306
              3 vec=     5.186775     -5.505846     -4.091257   |vec|=    8.599730
                1s
                   +0 :               0.00050472531432
                2s
                   +0 :              -0.00258248723508
                3s
                   +0 :               0.00117163101147
                2p
                   -1 :               0.00097131389991
                   +0 :               0.00246325943821
                   +1 :              -0.00224383907245
                3p
                   -1 :              -0.00085974492641
                   +0 :              -0.00007394119269
                   +1 :               0.00127082386706
                3d
                   -2 :              -0.00019240829435
                   -1 :               0.00023995586447
                   +0 :              -0.00029840406249
                   +1 :              -0.00005760116650
                   +2 :               0.00005237014346
              4 vec=    -2.593388      7.969791     -4.091257   |vec|=    9.326393
                1s
                   +0 :              -0.00056877012299
                2s
                   +0 :               0.00346061091495
                3s
                   +0 :              -0.00112539970106
                2p
                   -1 :               0.00063944255826
                   +0 :              -0.00183645681792
                   +1 :              -0.00019649735860
                3p
                   -1 :               0.00039539113051
                   +0 :               0.00047429517269
                   +1 :               0.00004664103314
                3d
                   -2 :               0.00002360538322
                   -1 :               0.00003460883953
                   +0 :               0.00011252697083
                   +1 :              -0.00014775945660
                   +2 :               0.00007325317294
              5 vec=    -2.593388     -9.997725     -4.091257   |vec|=   11.109390
                1s
                   +0 :              -0.00011617622069
                2s
                   +0 :               0.00000449809996
                3s
                   +0 :              -0.00026935420057
                2p
                   -1 :               0.00122508395889
                   +0 :               0.00087266363661
                   +1 :               0.00106265975818
                3p
                   -1 :              -0.00070202304662
                   +0 :              -0.00027706690859
                   +1 :              -0.00086630581857
                3d
                   -2 :               0.00007863268340
                   -1 :              -0.00002288161922
                   +0 :              -0.00017591574318
                   +1 :              -0.00001989444576
                   +2 :              -0.00008065643835
              6 vec=   -10.373550      3.477912     -4.091257   |vec|=   11.680959
                1s
                   +0 :              -0.00003357548157
                2s
                   +0 :               0.00025443823659
                3s
                   +0 :              -0.00003051032196
                2p
                   -1 :              -0.00000265884218
                   +0 :               0.00001161223271
                   +1 :              -0.00020129531157
                3p
                   -1 :              -0.00002073612561
                   +0 :              -0.00001924197338
                   +1 :               0.00006384005516
                3d
                   -2 :              -0.00003609991080
                   -1 :               0.00004227398839
                   +0 :              -0.00003052073574
                   +1 :               0.00005980699626
                   +2 :               0.00009528122625
              7 vec=   -10.373550     -5.505846     -4.091257   |vec|=   12.436369
                1s
                   +0 :              -0.00001467119528
                2s
                   +0 :              -0.00020434931351
                3s
                   +0 :              -0.00014421392073
                2p
                   -1 :              -0.00022369070873
                   +0 :               0.00053060652671
                   +1 :               0.00007421461286
                3p
                   -1 :               0.00031760139986
                   +0 :              -0.00025672208228
                   +1 :              -0.00000590391501
                3d
                   -2 :              -0.00002171188989
                   -1 :               0.00001322654551
                   +0 :               0.00002843109180
                   +1 :               0.00001734656082
                   +2 :               0.00003033214251
              8 vec=    12.966938     -1.013967     -4.091257   |vec|=   13.634808
                1s
                   +0 :               0.00003621513874
                2s
                   +0 :              -0.00025184759899
                3s
                   +0 :               0.00005637216059
                2p
                   -1 :              -0.00008026316526
                   +0 :              -0.00030239940377
                   +1 :              -0.00031207738626
                3p
                   -1 :              -0.00004814149795
                   +0 :               0.00023507263685
                   +1 :               0.00007925591605
                3d
                   -2 :              -0.00001342919769
                   -1 :               0.00002241920370
                   +0 :               0.00001430969209
                   +1 :               0.00000973164136
                   +2 :              -0.00002803831520
              9 vec=     5.186775     12.461670     -4.091257   |vec|=   14.104405
                1s
                   +0 :              -0.00009104086843
                2s
                   +0 :               0.00082270168985
                3s
                   +0 :              -0.00020715980441
                2p
                   -1 :               0.00033736514796
                   +0 :              -0.00016794814966
                   +1 :              -0.00009315965899
                3p
                   -1 :              -0.00010011867015
                   +0 :              -0.00002169783436
                   +1 :               0.00010035877750
                3d
                   -2 :              -0.00000201281563
                   -1 :               0.00000602838844
                   +0 :               0.00000886897812
                   +1 :              -0.00000837196278
                   +2 :               0.00001796193598
             10 vec=    12.966938      7.969791     -4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000742504162
                2s
                   +0 :               0.00006975111659
                3s
                   +0 :              -0.00001854869606
                2p
                   -1 :              -0.00008432260813
                   +0 :              -0.00010529280255
                   +1 :               0.00005984590788
                3p
                   -1 :               0.00005118840108
                   +0 :               0.00005427590583
                   +1 :              -0.00003343080930
                3d
                   -2 :               0.00000971984781
                   -1 :              -0.00000510571192
                   +0 :              -0.00000064640657
                   +1 :               0.00000529866733
                   +2 :               0.00000512568094
             11 vec=     5.186775    -14.489604     -4.091257   |vec|=   15.924498
                1s
                   +0 :               0.00009153561423
                2s
                   +0 :              -0.00060818958024
                3s
                   +0 :               0.00026933390199
                2p
                   -1 :               0.00040226964277
                   +0 :               0.00016203675870
                   +1 :              -0.00006010768760
                3p
                   -1 :              -0.00022524913509
                   +0 :              -0.00010131251301
                   +1 :              -0.00002771755070
                3d
                   -2 :               0.00000633442251
                   -1 :               0.00001182113101
                   +0 :               0.00001701391601
                   +1 :               0.00000368586892
                   +2 :              -0.00000743679490
             12 vec=   -10.373550     12.461670     -4.091257   |vec|=   16.722504
                1s
                   +0 :              -0.00002246733548
                2s
                   +0 :               0.00017028760676
                3s
                   +0 :              -0.00006411342904
                2p
                   -1 :               0.00031764468645
                   +0 :              -0.00005149238550
                   +1 :              -0.00016458626871
                3p
                   -1 :              -0.00027371950485
                   +0 :               0.00003935237930
                   +1 :               0.00009640413355
                3d
                   -2 :               0.00001347873463
                   -1 :               0.00001159284897
                   +0 :               0.00000578823694
                   +1 :               0.00000405133628
                   +2 :               0.00000909183806
             13 vec=    12.966938     -9.997725     -4.091257   |vec|=   16.877036
                1s
                   +0 :               0.00002286060429
                2s
                   +0 :              -0.00015765965908
                3s
                   +0 :               0.00006002134810
                2p
                   -1 :               0.00007512762500
                   +0 :               0.00003775517477
                   +1 :               0.00000298273908
                3p
                   -1 :              -0.00002163952643
                   +0 :              -0.00001488894672
                   +1 :              -0.00003899687376
                3d
                   -2 :              -0.00000689221242
                   -1 :               0.00000303594406
                   +0 :               0.00000226440954
                   +1 :              -0.00000444406216
                   +2 :              -0.00000674910939
             14 vec=    -2.593388     16.953549     -4.091257   |vec|=   17.631984
                1s
                   +0 :              -0.00001307100351
                2s
                   +0 :               0.00009274105789
                3s
                   +0 :              -0.00001910232380
                2p
                   -1 :               0.00002715752604
                   +0 :              -0.00001114802263
                   +1 :               0.00002618996055
                3p
                   -1 :               0.00002185943157
                   +0 :              -0.00001158745587
                   +1 :              -0.00000781538249
                3d
                   -2 :               0.00000713092518
                   -1 :              -0.00000125737543
                   +0 :              -0.00000188393388
                   +1 :              -0.00000450929657
                   +2 :               0.00000226351799
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al(  1)  npairs=  14
              1 vec=     2.593388      1.738956     -5.671791   |vec|=    6.474477
                2s
                   +0 :               0.00464802671984
                2p
                   -1 :               0.00145662387053
                   +0 :              -0.00285754537603
                   +1 :               0.00175462456169
                3s
                   +0 :              -0.01165996182868
                4s
                   +0 :               0.00742208871181
                3p
                   -1 :              -0.00434766564912
                   +0 :               0.01200241145742
                   +1 :              -0.00638690664179
                4p
                   -1 :               0.00207363081430
                   +0 :              -0.00562781848763
                   +1 :               0.00330102100737
                3d
                   -2 :               0.00147536887137
                   -1 :               0.00045252630743
                   +0 :              -0.00200638718034
                   +1 :               0.00082944565751
                   +2 :               0.00020792212953
              2 vec=    -5.186775     -2.752923     -5.671791   |vec|=    8.163972
                2s
                   +0 :              -0.00137740551476
                2p
                   -1 :               0.00046239623645
                   +0 :               0.00047809330918
                   +1 :               0.00118282134702
                3s
                   +0 :              -0.00967984728777
                4s
                   +0 :              -0.00153397155213
                3p
                   -1 :               0.00724254542574
                   +0 :               0.00030488683304
                   +1 :               0.00350030986766
                4p
                   -1 :              -0.00018703249326
                   +0 :               0.00038845502246
                   +1 :               0.00187802598782
                3d
                   -2 :              -0.00355039322262
                   -1 :              -0.00063760025843
                   +0 :               0.00206648023162
                   +1 :              -0.00026196406038
                   +2 :              -0.00033959335486
              3 vec=     2.593388     -7.244802     -5.671791   |vec|=    9.559395
                2s
                   +0 :              -0.00048080871016
                2p
                   -1 :              -0.00082261519469
                   +0 :               0.00010833774981
                   +1 :              -0.00066608138449
                3s
                   +0 :               0.00074245648526
                4s
                   +0 :              -0.00016491442617
                3p
                   -1 :               0.00353358048980
                   +0 :              -0.00067069516177
                   +1 :               0.00324743404117
                4p
                   -1 :              -0.00079396049104
                   +0 :               0.00026305465512
                   +1 :              -0.00067579643909
                3d
                   -2 :               0.00066455445423
                   -1 :              -0.00087440591248
                   +0 :              -0.00020415563104
                   +1 :              -0.00030512317220
                   +2 :               0.00076339016813
              4 vec=    -5.186775      6.230835     -5.671791   |vec|=    9.894198
                2s
                   +0 :               0.00003310444266
                2p
                   -1 :              -0.00027366405951
                   +0 :              -0.00037318220435
                   +1 :               0.00017514799040
                3s
                   +0 :              -0.00005816667243
                4s
                   +0 :              -0.00016005548079
                3p
                   -1 :               0.00138594132678
                   +0 :               0.00226290188317
                   +1 :              -0.00074607966914
                4p
                   -1 :              -0.00053439262639
                   +0 :              -0.00062972628277
                   +1 :               0.00049779851417
                3d
                   -2 :               0.00011243693386
                   -1 :               0.00031471654300
                   +0 :              -0.00022407542910
                   +1 :              -0.00024217641546
                   +2 :              -0.00041432112843
              5 vec=    10.373550     -2.752923     -5.671791   |vec|=   12.139125
                2s
                   +0 :              -0.00036751439457
                2p
                   -1 :               0.00019913099582
                   +0 :               0.00016121066097
                   +1 :              -0.00017148087962
                3s
                   +0 :               0.00063355167020
                4s
                   +0 :              -0.00038799957001
                3p
                   -1 :              -0.00055046480999
                   +0 :              -0.00002567260740
                   +1 :               0.00088015742492
                4p
                   -1 :               0.00023306844492
                   +0 :               0.00012187355116
                   +1 :              -0.00023416439588
                3d
                   -2 :              -0.00003860438984
                   -1 :              -0.00005212288466
                   +0 :              -0.00023658682188
                   +1 :               0.00000609758540
                   +2 :               0.00013307519821
              6 vec=     2.593388     10.722714     -5.671791   |vec|=   12.404494
                2s
                   +0 :              -0.00046899028771
                2p
                   -1 :              -0.00029015784592
                   +0 :               0.00018882366264
                   +1 :               0.00000751046498
                3s
                   +0 :               0.00124923426724
                4s
                   +0 :              -0.00024030068484
                3p
                   -1 :               0.00133459634196
                   +0 :              -0.00069430408339
                   +1 :               0.00008330992774
                4p
                   -1 :              -0.00016811253475
                   +0 :               0.00013483793285
                   +1 :               0.00010038484685
                3d
                   -2 :               0.00011159962709
                   -1 :              -0.00043855831331
                   +0 :              -0.00009647274747
                   +1 :              -0.00007754752232
                   +2 :              -0.00037741960680
              7 vec=    10.373550      6.230835     -5.671791   |vec|=   13.364246
                2s
                   +0 :               0.00016635530141
                2p
                   -1 :              -0.00002608171221
                   +0 :              -0.00003605677458
                   +1 :               0.00013602271873
                3s
                   +0 :              -0.00087371594576
                4s
                   +0 :               0.00019180474607
                3p
                   -1 :               0.00004618999224
                   +0 :               0.00005567195545
                   +1 :              -0.00080481857006
                4p
                   -1 :              -0.00000678356879
                   +0 :               0.00004726936731
                   +1 :               0.00017943800600
                3d
                   -2 :               0.00004814015855
                   -1 :              -0.00001565062753
                   +0 :               0.00001860326948
                   +1 :               0.00006105534778
                   +2 :              -0.00019869901874
              8 vec=    -5.186775    -11.736681     -5.671791   |vec|=   14.029310
                2s
                   +0 :              -0.00041008467375
                2p
                   -1 :               0.00012423648393
                   +0 :               0.00004852393371
                   +1 :               0.00028578977004
                3s
                   +0 :               0.00101297761045
                4s
                   +0 :              -0.00021961060737
                3p
                   -1 :              -0.00028626501235
                   +0 :              -0.00020229628027
                   +1 :              -0.00120700070502
                4p
                   -1 :              -0.00003836939068
                   +0 :               0.00005111250044
                   +1 :               0.00020902865763
                3d
                   -2 :               0.00023955196748
                   -1 :               0.00008570781435
                   +0 :              -0.00008543397859
                   +1 :               0.00014974863808
                   +2 :               0.00009388448650
              9 vec=   -12.966938      1.738956     -5.671791   |vec|=   14.259546
                2s
                   +0 :              -0.00000827825878
                2p
                   -1 :               0.00005506978408
                   +0 :               0.00001303727252
                   +1 :              -0.00003757056693
                3s
                   +0 :               0.00003977869366
                4s
                   +0 :              -0.00010506336009
                3p
                   -1 :              -0.00034813235345
                   +0 :              -0.00020354445324
                   +1 :               0.00011961586935
                4p
                   -1 :               0.00004395444646
                   +0 :               0.00006388030832
                   +1 :               0.00003127304359
                3d
                   -2 :               0.00006003825957
                   -1 :               0.00004637644306
                   +0 :              -0.00001865432607
                   +1 :              -0.00001316559415
                   +2 :              -0.00012259398896
             10 vec=   -12.966938     -7.244802     -5.671791   |vec|=   15.899618
                2s
                   +0 :              -0.00007424389546
                2p
                   -1 :              -0.00000149566162
                   +0 :              -0.00000276948216
                   +1 :               0.00001638107898
                3s
                   +0 :               0.00017264576440
                4s
                   +0 :              -0.00004329282987
                3p
                   -1 :              -0.00003435881928
                   +0 :               0.00001671821298
                   +1 :              -0.00002270070472
                4p
                   -1 :               0.00000925938338
                   +0 :              -0.00002029340102
                   +1 :              -0.00000755308780
                3d
                   -2 :               0.00001801349387
                   -1 :               0.00002736636649
                   +0 :               0.00002124748120
                   +1 :               0.00001702870479
                   +2 :              -0.00000606200250
             11 vec=    10.373550    -11.736681     -5.671791   |vec|=   16.659215
                2s
                   +0 :               0.00004452364252
                2p
                   -1 :               0.00002511387346
                   +0 :              -0.00000335571205
                   +1 :               0.00001245964477
                3s
                   +0 :              -0.00025269188459
                4s
                   +0 :               0.00003611316662
                3p
                   -1 :              -0.00014031372038
                   +0 :               0.00010700908223
                   +1 :              -0.00016394063915
                4p
                   -1 :               0.00004921068320
                   +0 :              -0.00001528892760
                   +1 :               0.00002344612881
                3d
                   -2 :              -0.00002522071864
                   -1 :               0.00003051217729
                   +0 :              -0.00001712097013
                   +1 :               0.00006131292358
                   +2 :              -0.00003827608816
             12 vec=    -5.186775     15.214593     -5.671791   |vec|=   17.045694
                2s
                   +0 :              -0.00003490428537
                2p
                   -1 :              -0.00004837926996
                   +0 :               0.00000472905448
                   +1 :               0.00000308342559
                3s
                   +0 :               0.00000919810008
                4s
                   +0 :              -0.00006138221244
                3p
                   -1 :               0.00015839263036
                   +0 :               0.00008237945180
                   +1 :              -0.00006232238897
                4p
                   -1 :              -0.00006642204186
                   +0 :              -0.00001067951468
                   +1 :               0.00002048117386
                3d
                   -2 :              -0.00003667680386
                   -1 :              -0.00000318557274
                   +0 :              -0.00003233365503
                   +1 :               0.00000980691316
                   +2 :              -0.00003275283168
             13 vec=     2.593388    -16.228560     -5.671791   |vec|=   17.385656
                2s
                   +0 :              -0.00001298481492
                2p
                   -1 :              -0.00003001966585
                   +0 :               0.00000075611149
                   +1 :              -0.00001179395833
                3s
                   +0 :              -0.00004731988946
                4s
                   +0 :               0.00005701246625
                3p
                   -1 :               0.00022250539510
                   +0 :               0.00005897112350
                   +1 :               0.00006640746430
                4p
                   -1 :              -0.00009134475664
                   +0 :              -0.00003480694927
                   +1 :              -0.00000962302761
                3d
                   -2 :              -0.00003195731530
                   -1 :              -0.00001672711502
                   +0 :              -0.00003084879945
                   +1 :              -0.00000593508345
                   +2 :               0.00003848725929
             14 vec=   -12.966938     10.722714     -5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00001817703358
                2p
                   -1 :              -0.00000511806895
                   +0 :              -0.00000120485278
                   +1 :               0.00002413892193
                3s
                   +0 :               0.00006481159593
                4s
                   +0 :              -0.00003319222810
                3p
                   -1 :               0.00001124214841
                   +0 :              -0.00000940557470
                   +1 :              -0.00012801120020
                4p
                   -1 :               0.00000358792700
                   +0 :               0.00001272247065
                   +1 :               0.00004336128321
                3d
                   -2 :              -0.00001772196585
                   -1 :              -0.00001573334109
                   +0 :              -0.00000436379088
                   +1 :               0.00001643346273
                   +2 :               0.00000878921432
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al(  2)  npairs=  14
              1 vec=     2.593388      1.738956      1.580534   |vec|=    3.499674
                2s
                   +0 :               0.02250618006628
                2p
                   -1 :               0.01143189974495
                   +0 :               0.00425639861876
                   +1 :               0.01906233263693
                3s
                   +0 :               0.03262070739985
                4s
                   +0 :               0.00941185576031
                3p
                   -1 :               0.03525377718716
                   +0 :              -0.01431824388850
                   +1 :               0.04651565703476
                4p
                   -1 :               0.00322511506809
                   +0 :               0.00308581204500
                   +1 :               0.00912055843427
                3d
                   -2 :               0.03419708537597
                   -1 :               0.00000661330159
                   +0 :              -0.03075735245263
                   +1 :               0.00163412716118
                   +2 :               0.01541692939766
              2 vec=    -5.186775     -2.752923      1.580534   |vec|=    6.081062
                2s
                   +0 :              -0.00175755964086
                2p
                   -1 :               0.00065717030564
                   +0 :               0.00035917177119
                   +1 :               0.00130139911757
                3s
                   +0 :               0.00370973113206
                4s
                   +0 :              -0.00358351896206
                3p
                   -1 :              -0.00512764235459
                   +0 :               0.00140518674180
                   +1 :              -0.00374351314116
                4p
                   -1 :               0.00146386677621
                   +0 :               0.00050353692542
                   +1 :               0.00152283031693
                3d
                   -2 :               0.00265756351372
                   -1 :              -0.00077615625063
                   +0 :               0.00015116772973
                   +1 :              -0.00149152893360
                   +2 :               0.00048693490661
              3 vec=     2.593388     -7.244802      1.580534   |vec|=    7.855629
                2s
                   +0 :               0.00017528955520
                2p
                   -1 :              -0.00030821140713
                   +0 :              -0.00021390172814
                   +1 :              -0.00070827585937
                3s
                   +0 :              -0.00578276777175
                4s
                   +0 :               0.00090777954051
                3p
                   -1 :               0.00765951686676
                   +0 :               0.00146069385832
                   +1 :               0.00287318068337
                4p
                   -1 :              -0.00082329337937
                   +0 :              -0.00105478487861
                   +1 :              -0.00082657257109
                3d
                   -2 :              -0.00091012870110
                   -1 :               0.00074706631798
                   +0 :               0.00116209494667
                   +1 :               0.00030803821901
                   +2 :               0.00195159160005
              4 vec=    -5.186775      6.230835      1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00050118445298
                2p
                   -1 :              -0.00098048202185
                   +0 :               0.00021055228818
                   +1 :               0.00010436117637
                3s
                   +0 :               0.00214320759365
                4s
                   +0 :              -0.00081783557616
                3p
                   -1 :               0.00448146862174
                   +0 :              -0.00092763194452
                   +1 :               0.00015754186431
                4p
                   -1 :              -0.00143257868594
                   +0 :               0.00023523459248
                   +1 :              -0.00004913333987
                3d
                   -2 :              -0.00043265826423
                   -1 :               0.00054399099732
                   +0 :               0.00003196424916
                   +1 :               0.00056843353744
                   +2 :              -0.00071168733496
              5 vec=    10.373550     -2.752923      1.580534   |vec|=   10.848374
                2s
                   +0 :               0.00011471813984
                2p
                   -1 :               0.00004572773942
                   +0 :               0.00009292195382
                   +1 :               0.00001147171865
                3s
                   +0 :               0.00052546697718
                4s
                   +0 :              -0.00008550935894
                3p
                   -1 :              -0.00079507565513
                   +0 :              -0.00127832921882
                   +1 :               0.00076534926126
                4p
                   -1 :               0.00018494269876
                   +0 :               0.00016759749298
                   +1 :              -0.00027667516967
                3d
                   -2 :              -0.00015503621161
                   -1 :              -0.00001040752994
                   +0 :               0.00017974508332
                   +1 :              -0.00032451677309
                   +2 :               0.00001468918058
              6 vec=     2.593388     10.722714      1.580534   |vec|=   11.144521
                2s
                   +0 :               0.00000008738650
                2p
                   -1 :              -0.00002997406803
                   +0 :              -0.00000004998589
                   +1 :               0.00004507060940
                3s
                   +0 :               0.00113039719513
                4s
                   +0 :              -0.00035122896264
                3p
                   -1 :               0.00086979410536
                   +0 :              -0.00060364828002
                   +1 :              -0.00015348631605
                4p
                   -1 :              -0.00026116648093
                   +0 :               0.00007976620133
                   +1 :              -0.00001008808492
                3d
                   -2 :              -0.00023660497250
                   -1 :              -0.00024453487988
                   +0 :               0.00026327239441
                   +1 :               0.00012945033542
                   +2 :              -0.00012250886164
              7 vec=    10.373550      6.230835      1.580534   |vec|=   12.203767
                2s
                   +0 :              -0.00016150247550
                2p
                   -1 :              -0.00011721458119
                   +0 :              -0.00022720153306
                   +1 :              -0.00002787210103
                3s
                   +0 :               0.00038958381684
                4s
                   +0 :               0.00004554962663
                3p
                   -1 :               0.00057455452582
                   +0 :               0.00105935880827
                   +1 :               0.00008131603590
                4p
                   -1 :              -0.00004640459510
                   +0 :              -0.00025379160432
                   +1 :               0.00004859870721
                3d
                   -2 :               0.00010116281775
                   -1 :               0.00011139004270
                   +0 :               0.00006586592583
                   +1 :               0.00006705764245
                   +2 :              -0.00004668413757
              8 vec=    -5.186775    -11.736681      1.580534   |vec|=   12.928666
                2s
                   +0 :              -0.00005667276924
                2p
                   -1 :              -0.00013497979815
                   +0 :               0.00021312404627
                   +1 :               0.00014840145052
                3s
                   +0 :               0.00043201191066
                4s
                   +0 :              -0.00026723104964
                3p
                   -1 :               0.00055698054181
                   +0 :              -0.00092836984503
                   +1 :              -0.00076525780198
                4p
                   -1 :              -0.00006991094051
                   +0 :               0.00022547404859
                   +1 :               0.00023509824465
                3d
                   -2 :              -0.00007241904056
                   -1 :               0.00017128543143
                   +0 :               0.00010335993776
                   +1 :               0.00011849525515
                   +2 :               0.00029809312168
              9 vec=   -12.966938      1.738956      1.580534   |vec|=   13.178146
                2s
                   +0 :               0.00022284147234
                2p
                   -1 :               0.00010374087227
                   +0 :               0.00001087562419
                   +1 :              -0.00011959123570
                3s
                   +0 :              -0.00054062171356
                4s
                   +0 :               0.00025302850587
                3p
                   -1 :              -0.00041543910923
                   +0 :               0.00025998725167
                   +1 :               0.00048196029105
                4p
                   -1 :               0.00013698595970
                   +0 :              -0.00004659463705
                   +1 :              -0.00011180967143
                3d
                   -2 :               0.00007617384217
                   -1 :               0.00002098453616
                   +0 :               0.00009078816549
                   +1 :               0.00003501958827
                   +2 :              -0.00002904681438
             10 vec=   -12.966938     -7.244802      1.580534   |vec|=   14.937427
                2s
                   +0 :               0.00004653623013
                2p
                   -1 :               0.00000923258447
                   +0 :               0.00001966409542
                   +1 :              -0.00000829108485
                3s
                   +0 :              -0.00019263170206
                4s
                   +0 :               0.00008064457169
                3p
                   -1 :              -0.00003439863551
                   +0 :               0.00001494449792
                   +1 :               0.00016361040098
                4p
                   -1 :               0.00001676068123
                   +0 :              -0.00001059410104
                   +1 :              -0.00006906579734
                3d
                   -2 :               0.00002104535004
                   -1 :              -0.00002948461421
                   +0 :               0.00005711665541
                   +1 :              -0.00004793281112
                   +2 :              -0.00004815197986
             11 vec=    10.373550    -11.736681      1.580534   |vec|=   15.743516
                2s
                   +0 :              -0.00000870447207
                2p
                   -1 :               0.00001978231612
                   +0 :              -0.00000943247973
                   +1 :               0.00002965543473
                3s
                   +0 :               0.00004459433677
                4s
                   +0 :              -0.00003003495738
                3p
                   -1 :              -0.00011346353862
                   +0 :              -0.00006373730631
                   +1 :              -0.00015640973364
                4p
                   -1 :               0.00005369447007
                   +0 :               0.00004865533166
                   +1 :               0.00005199482029
                3d
                   -2 :               0.00005630988610
                   -1 :               0.00001610747883
                   +0 :               0.00000066932967
                   +1 :               0.00000227946574
                   +2 :               0.00001276783885
             12 vec=    -5.186775     15.214593      1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00001014750121
                2p
                   -1 :               0.00000071035771
                   +0 :               0.00001190952662
                   +1 :              -0.00000757150296
                3s
                   +0 :               0.00008105258035
                4s
                   +0 :              -0.00002276437572
                3p
                   -1 :               0.00003891538007
                   +0 :              -0.00008903668927
                   +1 :               0.00006820429799
                4p
                   -1 :              -0.00000977828811
                   +0 :               0.00000333991147
                   +1 :              -0.00001417005891
                3d
                   -2 :               0.00000384111242
                   -1 :              -0.00001699347954
                   +0 :               0.00003355136945
                   +1 :               0.00000443196762
                   +2 :              -0.00002047779506
             13 vec=     2.593388    -16.228560      1.580534   |vec|=   16.510297
                2s
                   +0 :               0.00002030722213
                2p
                   -1 :              -0.00002357078685
                   +0 :               0.00000317127381
                   +1 :              -0.00000848009069
                3s
                   +0 :              -0.00018379659243
                4s
                   +0 :               0.00011790257297
                3p
                   -1 :               0.00022459021382
                   +0 :              -0.00001029261704
                   +1 :              -0.00000997989739
                4p
                   -1 :              -0.00009180843821
                   +0 :               0.00000008384588
                   +1 :               0.00002879536908
                3d
                   -2 :              -0.00000064995561
                   -1 :               0.00000255429569
                   +0 :              -0.00002002848109
                   +1 :              -0.00001575033834
                   +2 :               0.00003681568016
             14 vec=   -12.966938     10.722714      1.580534   |vec|=   16.900182
                2s
                   +0 :              -0.00002446551954
                2p
                   -1 :               0.00002471468433
                   +0 :               0.00001357091187
                   +1 :              -0.00000936376032
                3s
                   +0 :               0.00013501914197
                4s
                   +0 :              -0.00005408064653
                3p
                   -1 :              -0.00011708673401
                   +0 :              -0.00005470384300
                   +1 :               0.00001163234258
                4p
                   -1 :               0.00002825445762
                   +0 :               0.00000758378700
                   +1 :               0.00001070276138
                3d
                   -2 :               0.00003804893807
                   -1 :              -0.00002490083510
                   +0 :               0.00001960720101
                   +1 :              -0.00001141719066
                   +2 :              -0.00000717453187
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Cr(  3)  npairs=  15
              1 vec=     2.593388      1.738956    -10.693237   |vec|=   11.139791
                3s
                   +0 :               0.00124044416587
                3p
                   -1 :               0.00041405471169
                   +0 :              -0.00066653497323
                   +1 :               0.00008863004109
                4s
                   +0 :              -0.00106485965250
                5s
                   +0 :              -0.00000241075450
                3d
                   -2 :               0.00018073822432
                   -1 :              -0.00032904754813
                   +0 :              -0.00065980397901
                   +1 :               0.00027538681722
                   +2 :               0.00074789514914
                4d
                   -2 :              -0.00026414115639
                   -1 :               0.00022207966343
                   +0 :               0.00035895907201
                   +1 :               0.00030649498255
                   +2 :              -0.00024895352460
                4p
                   -1 :              -0.00074424493351
                   +0 :               0.00033585076802
                   +1 :              -0.00068224096695
              2 vec=    -5.186775     -2.752923    -10.693237   |vec|=   12.199448
                3s
                   +0 :               0.00016017062866
                3p
                   -1 :              -0.00003476479296
                   +0 :              -0.00014055471468
                   +1 :              -0.00012135488973
                4s
                   +0 :               0.00024266795380
                5s
                   +0 :              -0.00007195884927
                3d
                   -2 :              -0.00057675498177
                   -1 :               0.00034513118482
                   +0 :              -0.00085508057431
                   +1 :              -0.00005310321230
                   +2 :              -0.00076953823678
                4d
                   -2 :              -0.00005069569595
                   -1 :               0.00009626782380
                   +0 :              -0.00002663673249
                   +1 :              -0.00012345114879
                   +2 :              -0.00024846963566
                4p
                   -1 :              -0.00030038452494
                   +0 :               0.00030201023342
                   +1 :               0.00026732524081
              3 vec=     2.593388     -7.244802    -10.693237   |vec|=   13.174146
                3s
                   +0 :              -0.00010915959052
                3p
                   -1 :              -0.00028974951395
                   +0 :              -0.00011236748981
                   +1 :              -0.00001599040291
                4s
                   +0 :               0.00110666247748
                5s
                   +0 :              -0.00004651609941
                3d
                   -2 :              -0.00011347946938
                   -1 :               0.00106931901239
                   +0 :               0.00018163567304
                   +1 :              -0.00016595504344
                   +2 :              -0.00069726572704
                4d
                   -2 :               0.00005290122492
                   -1 :               0.00002563948741
                   +0 :               0.00007066858778
                   +1 :              -0.00018297671598
                   +2 :               0.00000240299711
                4p
                   -1 :              -0.00009071395038
                   +0 :              -0.00047154372515
                   +1 :               0.00015908459217
              4 vec=    -5.186775      6.230835    -10.693237   |vec|=   13.419063
                3s
                   +0 :               0.00007225950297
                3p
                   -1 :               0.00020195631926
                   +0 :              -0.00015893101900
                   +1 :              -0.00015610944936
                4s
                   +0 :               0.00094170397457
                5s
                   +0 :              -0.00005765421345
                3d
                   -2 :              -0.00037858302859
                   -1 :              -0.00025577518739
                   +0 :               0.00013444171637
                   +1 :               0.00052441857335
                   +2 :               0.00020226320885
                4d
                   -2 :              -0.00019854023085
                   -1 :              -0.00007395573288
                   +0 :               0.00013505182183
                   +1 :               0.00024730537722
                   +2 :               0.00009829006397
                4p
                   -1 :              -0.00000128852700
                   +0 :              -0.00039209760096
                   +1 :              -0.00039089083660
              5 vec=     2.593388      1.738956     13.854306   |vec|=   14.201810
                3s
                   +0 :              -0.00004929438212
                3p
                   -1 :               0.00004608573816
                   +0 :               0.00002363938626
                   +1 :              -0.00013975346179
                4s
                   +0 :               0.00005892344129
                5s
                   +0 :               0.00001686293243
                3d
                   -2 :               0.00000922178911
                   -1 :              -0.00003914550730
                   +0 :               0.00010892020929
                   +1 :              -0.00018428695188
                   +2 :               0.00001455234405
                4d
                   -2 :              -0.00003466963900
                   -1 :              -0.00008841719384
                   +0 :              -0.00000989347189
                   +1 :               0.00013360312255
                   +2 :               0.00010581050795
                4p
                   -1 :              -0.00005808003290
                   +0 :               0.00001712171098
                   +1 :               0.00028258920777
              6 vec=    -5.186775     -2.752923     13.854306   |vec|=   15.047359
                3s
                   +0 :               0.00016993155932
                3p
                   -1 :              -0.00006218014320
                   +0 :               0.00003543623799
                   +1 :              -0.00021956577130
                4s
                   +0 :              -0.00021642781248
                5s
                   +0 :              -0.00001990620237
                3d
                   -2 :              -0.00000926903482
                   -1 :               0.00010730585175
                   +0 :               0.00011439371225
                   +1 :               0.00006689840150
                   +2 :              -0.00021020460430
                4d
                   -2 :              -0.00014841841902
                   -1 :              -0.00003374083351
                   +0 :               0.00004978537519
                   +1 :               0.00005920837626
                   +2 :              -0.00001139521990
                4p
                   -1 :               0.00008571122854
                   +0 :               0.00000576846264
                   +1 :               0.00031816244708
              7 vec=    10.373550     -2.752923    -10.693237   |vec|=   15.150394
                3s
                   +0 :              -0.00004281883847
                3p
                   -1 :               0.00005478356389
                   +0 :               0.00001014129780
                   +1 :               0.00000692351959
                4s
                   +0 :               0.00007974011147
                5s
                   +0 :               0.00000567944484
                3d
                   -2 :               0.00003044508892
                   -1 :              -0.00015638458336
                   +0 :               0.00012718850145
                   +1 :               0.00006078993235
                   +2 :              -0.00006524424675
                4d
                   -2 :               0.00003031156845
                   -1 :               0.00000487425738
                   +0 :               0.00002268547724
                   +1 :               0.00001515252140
                   +2 :              -0.00001179494564
                4p
                   -1 :              -0.00006704532689
                   +0 :               0.00002159676159
                   +1 :              -0.00004759111514
              8 vec=     2.593388     10.722714    -10.693237   |vec|=   15.363840
                3s
                   +0 :              -0.00019120270124
                3p
                   -1 :              -0.00005563124621
                   +0 :               0.00001926281222
                   +1 :              -0.00002764270981
                4s
                   +0 :               0.00034740501926
                5s
                   +0 :               0.00001235158554
                3d
                   -2 :               0.00004208090232
                   -1 :               0.00005862287727
                   +0 :               0.00006313673429
                   +1 :              -0.00009474867152
                   +2 :               0.00001845076104
                4d
                   -2 :               0.00001724802879
                   -1 :               0.00000388868490
                   +0 :              -0.00000439265855
                   +1 :              -0.00001811065866
                   +2 :               0.00003730239228
                4p
                   -1 :               0.00009490817501
                   +0 :              -0.00001384486028
                   +1 :               0.00006481299013
              9 vec=     2.593388     -7.244802     13.854306   |vec|=   15.847858
                3s
                   +0 :               0.00004088151836
                3p
                   -1 :              -0.00000281595472
                   +0 :              -0.00003175814241
                   +1 :              -0.00006311039284
                4s
                   +0 :              -0.00020246825878
                5s
                   +0 :               0.00002255207115
                3d
                   -2 :               0.00028062101592
                   -1 :               0.00007118887823
                   +0 :               0.00002433307087
                   +1 :              -0.00011234106282
                   +2 :               0.00001319955693
                4d
                   -2 :              -0.00000795289014
                   -1 :               0.00004226025804
                   +0 :              -0.00001289880669
                   +1 :              -0.00000524717875
                   +2 :              -0.00005112366045
                4p
                   -1 :               0.00008164928969
                   +0 :               0.00002651666965
                   +1 :              -0.00001118216595
             10 vec=    -5.186775      6.230835     13.854306   |vec|=   16.052032
                3s
                   +0 :              -0.00016426573159
                3p
                   -1 :              -0.00009732298387
                   +0 :              -0.00008437265129
                   +1 :              -0.00001290455943
                4s
                   +0 :               0.00008795885437
                5s
                   +0 :              -0.00000174111101
                3d
                   -2 :              -0.00017205280506
                   -1 :              -0.00032958780992
                   +0 :               0.00017503799599
                   +1 :               0.00000263198296
                   +2 :               0.00042801631856
                4d
                   -2 :               0.00008739026851
                   -1 :               0.00008257755944
                   +0 :              -0.00001431110634
                   +1 :               0.00001166864854
                   +2 :               0.00002290653700
                4p
                   -1 :              -0.00005026885709
                   +0 :               0.00009566549587
                   +1 :               0.00001449789647
             11 vec=    10.373550      6.230835    -10.693237   |vec|=   16.148658
                3s
                   +0 :               0.00020870902745
                3p
                   -1 :               0.00006698564760
                   +0 :              -0.00009934236069
                   +1 :               0.00005161596537
                4s
                   +0 :              -0.00038087502841
                5s
                   +0 :               0.00005601781906
                3d
                   -2 :               0.00013337997292
                   -1 :              -0.00014395073259
                   +0 :               0.00013677525280
                   +1 :              -0.00030982708478
                   +2 :               0.00005729093326
                4d
                   -2 :              -0.00006668208427
                   -1 :               0.00005980896645
                   +0 :              -0.00002810905458
                   +1 :               0.00011093663694
                   +2 :              -0.00000573955755
                4p
                   -1 :              -0.00012001890962
                   +0 :               0.00015409243082
                   +1 :              -0.00009813662160
             12 vec=    -5.186775    -11.736681    -10.693237   |vec|=   16.703222
                3s
                   +0 :               0.00007928447169
                3p
                   -1 :               0.00000329343024
                   +0 :              -0.00005393699488
                   +1 :              -0.00004635043933
                4s
                   +0 :              -0.00025056834033
                5s
                   +0 :               0.00003488548267
                3d
                   -2 :              -0.00000515261300
                   -1 :               0.00001941437771
                   +0 :               0.00008216206633
                   +1 :              -0.00003950626511
                   +2 :               0.00005350551375
                4d
                   -2 :              -0.00006266625139
                   -1 :              -0.00010334040834
                   +0 :              -0.00003904516053
                   +1 :              -0.00005217527670
                   +2 :               0.00000301732097
                4p
                   -1 :               0.00007189711998
                   +0 :               0.00016183932459
                   +1 :               0.00010242271339
             13 vec=   -12.966938      1.738956    -10.693237   |vec|=   16.897064
                3s
                   +0 :              -0.00003071712940
                3p
                   -1 :              -0.00001962769189
                   +0 :               0.00002349831155
                   +1 :               0.00001336568189
                4s
                   +0 :               0.00006292522158
                5s
                   +0 :               0.00000267081239
                3d
                   -2 :              -0.00002231589800
                   -1 :              -0.00012290449620
                   +0 :               0.00004472171161
                   +1 :               0.00001066572840
                   +2 :               0.00005806633486
                4d
                   -2 :               0.00000298552948
                   -1 :              -0.00000448062613
                   +0 :               0.00001695438668
                   +1 :              -0.00001084865162
                   +2 :              -0.00003574105677
                4p
                   -1 :               0.00002471859280
                   +0 :              -0.00004026472168
                   +1 :               0.00001497310304
             14 vec=    10.373550     -2.752923     13.854306   |vec|=   17.525151
                3s
                   +0 :              -0.00008672391815
                3p
                   -1 :               0.00007099074773
                   +0 :              -0.00005261628876
                   +1 :              -0.00008187169866
                4s
                   +0 :              -0.00011070273809
                5s
                   +0 :              -0.00001348775562
                3d
                   -2 :               0.00048743127662
                   -1 :               0.00024645098661
                   +0 :               0.00018801975527
                   +1 :              -0.00036237739750
                   +2 :              -0.00021693427793
                4d
                   -2 :               0.00005205516182
                   -1 :               0.00001560532066
                   +0 :               0.00000620845799
                   +1 :              -0.00002341199256
                   +2 :              -0.00002695094864
                4p
                   -1 :               0.00006089995733
                   +0 :               0.00002007251030
                   +1 :              -0.00011666714490
             15 vec=     2.593388     10.722714     13.854306   |vec|=   17.709998
                3s
                   +0 :              -0.00004697182500
                3p
                   -1 :              -0.00005563890095
                   +0 :              -0.00001610900823
                   +1 :              -0.00001908127880
                4s
                   +0 :              -0.00004175940577
                5s
                   +0 :               0.00000207525773
                3d
                   -2 :              -0.00014656092384
                   -1 :              -0.00017911332842
                   +0 :               0.00006889653927
                   +1 :              -0.00002761508411
                   +2 :               0.00018878325030
                4d
                   -2 :               0.00001182564278
                   -1 :               0.00000275914868
                   +0 :              -0.00000942363318
                   +1 :               0.00000140394456
                   +2 :              -0.00001754453394
                4p
                   -1 :              -0.00001600139961
                   +0 :              -0.00000459056104
                   +1 :               0.00000431227728
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al(  4)  npairs=  13
              1 vec=     2.593388      1.738956      6.601980   |vec|=    7.303134
                2s
                   +0 :              -0.00164036338668
                2p
                   -1 :              -0.00064168627083
                   +0 :              -0.00129000344082
                   +1 :              -0.00085290734668
                3s
                   +0 :               0.00663644300274
                4s
                   +0 :              -0.00243649731955
                3p
                   -1 :               0.00107830181684
                   +0 :              -0.00033551018761
                   +1 :               0.00076731388451
                4p
                   -1 :              -0.00008332570401
                   +0 :              -0.00173916682646
                   +1 :              -0.00027353268555
                3d
                   -2 :              -0.00258575658145
                   -1 :              -0.00133814734258
                   +0 :              -0.00264339180557
                   +1 :              -0.00217808955947
                   +2 :              -0.00219772643278
              2 vec=    -5.186775     -2.752923      6.601980   |vec|=    8.835573
                2s
                   +0 :              -0.00120331909213
                2p
                   -1 :               0.00021233358612
                   +0 :               0.00010222034476
                   +1 :              -0.00028194577758
                3s
                   +0 :               0.01629929078149
                4s
                   +0 :              -0.00031234396461
                3p
                   -1 :              -0.00668508701471
                   +0 :               0.00810043602561
                   +1 :              -0.00743409812076
                4p
                   -1 :               0.00034073969745
                   +0 :               0.00054686366552
                   +1 :              -0.00073505122246
                3d
                   -2 :               0.00263804272443
                   -1 :              -0.00241584339493
                   +0 :               0.00063292864396
                   +1 :              -0.00355141218806
                   +2 :               0.00109092483737
              3 vec=     2.593388     -7.244802      6.601980   |vec|=   10.138982
                2s
                   +0 :               0.00064548464228
                2p
                   -1 :               0.00056213275844
                   +0 :               0.00038926469850
                   +1 :               0.00053392112728
                3s
                   +0 :               0.00053128195649
                4s
                   +0 :              -0.00107689452933
                3p
                   -1 :              -0.00404258893206
                   +0 :              -0.00108868419270
                   +1 :              -0.00164014756712
                4p
                   -1 :               0.00146330097880
                   +0 :              -0.00024852080143
                   +1 :               0.00020419795875
                3d
                   -2 :              -0.00053721799723
                   -1 :              -0.00025819462498
                   +0 :               0.00039270489537
                   +1 :              -0.00028094844125
                   +2 :              -0.00124442552303
              4 vec=    -5.186775      6.230835      6.601980   |vec|=   10.455242
                2s
                   +0 :              -0.00048373251734
                2p
                   -1 :              -0.00010014236722
                   +0 :              -0.00001220395255
                   +1 :               0.00017764504322
                3s
                   +0 :               0.00242110759800
                4s
                   +0 :              -0.00081956352626
                3p
                   -1 :               0.00140655201157
                   +0 :              -0.00020521704194
                   +1 :              -0.00129168690520
                4p
                   -1 :              -0.00047232025155
                   +0 :               0.00006360120074
                   +1 :               0.00045553512461
                3d
                   -2 :              -0.00038589549748
                   -1 :               0.00003052082445
                   +0 :               0.00025332328718
                   +1 :              -0.00011479719128
                   +2 :              -0.00019131525550
              5 vec=    10.373550     -2.752923      6.601980   |vec|=   12.600606
                2s
                   +0 :              -0.00029552598733
                2p
                   -1 :               0.00005205813059
                   +0 :              -0.00010361460063
                   +1 :              -0.00005431333012
                3s
                   +0 :               0.00072571632428
                4s
                   +0 :              -0.00004206611897
                3p
                   -1 :              -0.00035374404287
                   +0 :               0.00068005263609
                   +1 :              -0.00026188440944
                4p
                   -1 :               0.00005861190010
                   +0 :              -0.00006031986289
                   +1 :               0.00021079372585
                3d
                   -2 :              -0.00002965671152
                   -1 :              -0.00016110331104
                   +0 :               0.00029280362946
                   +1 :               0.00012095429912
                   +2 :              -0.00018974613742
              6 vec=     2.593388     10.722714      6.601980   |vec|=   12.856453
                2s
                   +0 :               0.00042664636247
                2p
                   -1 :               0.00017991965785
                   +0 :               0.00013272685461
                   +1 :               0.00007608104638
                3s
                   +0 :              -0.00140622820493
                4s
                   +0 :               0.00045419238155
                3p
                   -1 :              -0.00099186035474
                   +0 :              -0.00059313976450
                   +1 :              -0.00051502000032
                4p
                   -1 :               0.00017900843975
                   +0 :               0.00017943636617
                   +1 :               0.00007135516997
                3d
                   -2 :              -0.00007262765314
                   -1 :              -0.00018170422587
                   +0 :               0.00005071032669
                   +1 :              -0.00001291856462
                   +2 :               0.00009356452321
              7 vec=    10.373550      6.230835      6.601980   |vec|=   13.784774
                2s
                   +0 :               0.00013447152615
                2p
                   -1 :              -0.00001444154262
                   +0 :               0.00008671473316
                   +1 :               0.00000181615497
                3s
                   +0 :              -0.00024835249617
                4s
                   +0 :               0.00016618812373
                3p
                   -1 :               0.00019781653566
                   +0 :              -0.00050139126282
                   +1 :               0.00007077622003
                4p
                   -1 :              -0.00006113793105
                   +0 :               0.00009966749353
                   +1 :               0.00005254382882
                3d
                   -2 :               0.00008099253266
                   -1 :              -0.00005206961223
                   +0 :               0.00002387586508
                   +1 :              -0.00005704932192
                   +2 :               0.00002664186255
              8 vec=    -5.186775    -11.736681      6.601980   |vec|=   14.430470
                2s
                   +0 :               0.00008893405929
                2p
                   -1 :              -0.00000642258599
                   +0 :              -0.00003839356843
                   +1 :              -0.00001845374484
                3s
                   +0 :              -0.00030189503251
                4s
                   +0 :               0.00013054035861
                3p
                   -1 :              -0.00007961730001
                   +0 :               0.00009130006763
                   +1 :               0.00013283567819
                4p
                   -1 :               0.00003161902485
                   +0 :               0.00004079528119
                   +1 :              -0.00001331271977
                3d
                   -2 :              -0.00000478482497
                   -1 :              -0.00000639710737
                   +0 :              -0.00006754197194
                   +1 :              -0.00002559492200
                   +2 :              -0.00011260450452
              9 vec=   -12.966938      1.738956      6.601980   |vec|=   14.654405
                2s
                   +0 :               0.00004222688190
                2p
                   -1 :               0.00002647882117
                   +0 :               0.00000502510588
                   +1 :              -0.00003044479701
                3s
                   +0 :              -0.00004940008084
                4s
                   +0 :              -0.00008419850188
                3p
                   -1 :              -0.00001711390540
                   +0 :               0.00004930074544
                   +1 :               0.00020627067875
                4p
                   -1 :              -0.00002706168081
                   +0 :              -0.00003417431030
                   +1 :              -0.00001727007805
                3d
                   -2 :               0.00002154683867
                   -1 :               0.00002026133894
                   +0 :               0.00001096181214
                   +1 :              -0.00000609275721
                   +2 :              -0.00001692379839
             10 vec=   -12.966938     -7.244802      6.601980   |vec|=   16.254684
                2s
                   +0 :              -0.00008441095197
                2p
                   -1 :              -0.00000515692475
                   +0 :              -0.00004515053021
                   +1 :               0.00001874013256
                3s
                   +0 :               0.00031208949834
                4s
                   +0 :              -0.00006380352863
                3p
                   -1 :               0.00008905152426
                   +0 :               0.00022948770941
                   +1 :              -0.00010174460734
                4p
                   -1 :              -0.00005388915366
                   +0 :              -0.00005246212203
                   +1 :               0.00000563643161
                3d
                   -2 :              -0.00000181415659
                   -1 :              -0.00002602167382
                   +0 :               0.00003913469674
                   +1 :              -0.00003163230591
                   +2 :               0.00002274976868
             11 vec=    10.373550    -11.736681      6.601980   |vec|=   16.998422
                2s
                   +0 :              -0.00002157144042
                2p
                   -1 :              -0.00000182069808
                   +0 :               0.00002090545952
                   +1 :               0.00000397655923
                3s
                   +0 :               0.00000332363505
                4s
                   +0 :               0.00004635024015
                3p
                   -1 :               0.00001158537514
                   +0 :              -0.00012439731327
                   +1 :              -0.00006167980508
                4p
                   -1 :              -0.00001621337665
                   +0 :               0.00003501208189
                   +1 :               0.00004305227869
                3d
                   -2 :              -0.00002053310051
                   -1 :               0.00002245082936
                   +0 :              -0.00001880639285
                   +1 :              -0.00001770639411
                   +2 :              -0.00003359985530
             12 vec=    -5.186775     15.214593      6.601980   |vec|=   17.377359
                2s
                   +0 :              -0.00001673219415
                2p
                   -1 :               0.00000374149902
                   +0 :              -0.00003753145222
                   +1 :              -0.00002418386026
                3s
                   +0 :               0.00010732274591
                4s
                   +0 :              -0.00001091845165
                3p
                   -1 :              -0.00000466855817
                   +0 :               0.00019020640393
                   +1 :               0.00012887583914
                4p
                   -1 :               0.00001938174984
                   +0 :              -0.00003622036379
                   +1 :              -0.00003525662395
                3d
                   -2 :               0.00003401879940
                   -1 :               0.00004069179580
                   +0 :               0.00003302537249
                   +1 :              -0.00001605460000
                   +2 :              -0.00000053689779
             13 vec=     2.593388    -16.228560      6.601980   |vec|=   17.710956
                2s
                   +0 :              -0.00002081017932
                2p
                   -1 :               0.00001696977412
                   +0 :               0.00002694789035
                   +1 :               0.00002753712666
                3s
                   +0 :               0.00015043898995
                4s
                   +0 :              -0.00010024926477
                3p
                   -1 :              -0.00014086570182
                   +0 :              -0.00010735798188
                   +1 :              -0.00016799202735
                4p
                   -1 :               0.00006407098202
                   +0 :               0.00000905175949
                   +1 :               0.00005161425274
                3d
                   -2 :               0.00000995545486
                   -1 :               0.00003967647733
                   +0 :               0.00002062391768
                   +1 :               0.00000419392189
                   +2 :              -0.00002829359813
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al(  5)  npairs=  14
              1 vec=     0.000000     -2.752923      2.510641   |vec|=    3.725842
                2s
                   +0 :               0.02037994703288
                2p
                   -1 :              -0.02588558067497
                   +0 :               0.01877992107412
                   +1 :               0.00266222673048
                3s
                   +0 :               0.08050934337095
                4s
                   +0 :               0.00619765279491
                3p
                   -1 :              -0.05349404411008
                   +0 :               0.02986816999435
                   +1 :              -0.00704411929784
                4p
                   -1 :              -0.01339608796680
                   +0 :               0.00964150317862
                   +1 :               0.00314775246763
                3d
                   -2 :              -0.00167530529769
                   -1 :              -0.03843361405612
                   +0 :              -0.00909143332871
                   +1 :               0.00067384792633
                   +2 :              -0.03838337008188
              2 vec=     0.000000      6.230835      2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00215897157893
                2p
                   -1 :              -0.00174827173853
                   +0 :              -0.00053275497207
                   +1 :               0.00059285980956
                3s
                   +0 :               0.00878760848184
                4s
                   +0 :              -0.00534865329582
                3p
                   -1 :               0.00672551851403
                   +0 :               0.00005854339824
                   +1 :              -0.00299966307333
                4p
                   -1 :              -0.00314733584149
                   +0 :              -0.00156562257589
                   +1 :               0.00100353729789
                3d
                   -2 :               0.00021885077245
                   -1 :               0.00040261434488
                   +0 :               0.00283775893179
                   +1 :               0.00006138904873
                   +2 :              -0.00090306084573
              3 vec=    -7.780163      1.738956      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00109526265724
                2p
                   -1 :               0.00034017188079
                   +0 :               0.00016130857935
                   +1 :              -0.00017925994090
                3s
                   +0 :              -0.00435207867772
                4s
                   +0 :               0.00213041332581
                3p
                   -1 :              -0.00111222632896
                   +0 :              -0.00118268690009
                   +1 :               0.00243312482992
                4p
                   -1 :               0.00018515975891
                   +0 :               0.00046156661901
                   +1 :              -0.00060764806099
                3d
                   -2 :               0.00075181823359
                   -1 :              -0.00057230439787
                   +0 :              -0.00014633490387
                   +1 :              -0.00003036421178
                   +2 :               0.00030423201448
              4 vec=     7.780163      1.738956      2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00068668147439
                2p
                   -1 :               0.00008671006573
                   +0 :               0.00039201880713
                   +1 :               0.00037831130097
                3s
                   +0 :              -0.00627326184039
                4s
                   +0 :               0.00284604786001
                3p
                   -1 :              -0.00142908679070
                   +0 :              -0.00458515993666
                   +1 :              -0.00461079989360
                4p
                   -1 :               0.00002185166866
                   +0 :               0.00121917139033
                   +1 :               0.00180834463237
                3d
                   -2 :              -0.00038924319697
                   -1 :              -0.00027693663210
                   +0 :              -0.00036251522418
                   +1 :              -0.00136138343599
                   +2 :              -0.00067012509794
              5 vec=    -7.780163     -7.244802      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00033575633100
                2p
                   -1 :              -0.00020980337427
                   +0 :              -0.00036030506749
                   +1 :              -0.00024254170051
                3s
                   +0 :               0.00065372531794
                4s
                   +0 :              -0.00014909970598
                3p
                   -1 :               0.00045437353514
                   +0 :               0.00159279513434
                   +1 :              -0.00014260474371
                4p
                   -1 :              -0.00005176366831
                   +0 :              -0.00044102727479
                   +1 :              -0.00013242868163
                3d
                   -2 :              -0.00008033251989
                   -1 :              -0.00032220746634
                   +0 :               0.00001187919171
                   +1 :              -0.00001245065959
                   +2 :               0.00035837137674
              6 vec=     7.780163     -7.244802      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00005520352817
                2p
                   -1 :               0.00008007321970
                   +0 :               0.00006444925074
                   +1 :              -0.00004339128718
                3s
                   +0 :               0.00069344209501
                4s
                   +0 :              -0.00041608909875
                3p
                   -1 :              -0.00055741451143
                   +0 :              -0.00007830699057
                   +1 :               0.00120971481842
                4p
                   -1 :               0.00019653173461
                   +0 :              -0.00004818378711
                   +1 :              -0.00040841669909
                3d
                   -2 :              -0.00006656518101
                   -1 :              -0.00010141793444
                   +0 :              -0.00010689034407
                   +1 :              -0.00004189524006
                   +2 :               0.00027580085866
              7 vec=     0.000000    -11.736681      2.510641   |vec|=   12.002208
                2s
                   +0 :              -0.00016805860372
                2p
                   -1 :              -0.00005252062513
                   +0 :              -0.00008397257448
                   +1 :               0.00020694515201
                3s
                   +0 :               0.00026150137709
                4s
                   +0 :               0.00034901742666
                3p
                   -1 :               0.00060122797708
                   +0 :               0.00043729824838
                   +1 :              -0.00106589581113
                4p
                   -1 :              -0.00048273421070
                   +0 :              -0.00012907967000
                   +1 :               0.00023244796509
                3d
                   -2 :               0.00045206434476
                   -1 :              -0.00013326725892
                   +0 :               0.00000744317573
                   +1 :              -0.00011065208760
                   +2 :              -0.00004432721565
              8 vec=    -7.780163     10.722714      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00016671892989
                2p
                   -1 :               0.00004120106588
                   +0 :              -0.00007912974583
                   +1 :              -0.00000997867444
                3s
                   +0 :              -0.00038587373115
                4s
                   +0 :              -0.00001739206786
                3p
                   -1 :              -0.00003124808246
                   +0 :               0.00029981311968
                   +1 :              -0.00004759836562
                4p
                   -1 :              -0.00006997126705
                   +0 :              -0.00005398262684
                   +1 :               0.00007547732880
                3d
                   -2 :              -0.00000388346022
                   -1 :               0.00008099763207
                   +0 :              -0.00000549633377
                   +1 :               0.00000094860003
                   +2 :              -0.00003293559939
              9 vec=     7.780163     10.722714      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00015868909641
                2p
                   -1 :              -0.00001434803295
                   +0 :               0.00007593827107
                   +1 :               0.00000168958554
                3s
                   +0 :              -0.00063630013838
                4s
                   +0 :               0.00015396255257
                3p
                   -1 :               0.00007417319568
                   +0 :              -0.00038943991117
                   +1 :              -0.00010394982621
                4p
                   -1 :              -0.00002894977983
                   +0 :               0.00002642485419
                   +1 :               0.00004612496547
                3d
                   -2 :               0.00013806769780
                   -1 :              -0.00003640268481
                   +0 :              -0.00004737716569
                   +1 :              -0.00018981507076
                   +2 :              -0.00023785620386
             10 vec=     0.000000     15.214593      2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00001459074851
                2p
                   -1 :              -0.00004691810098
                   +0 :               0.00002615538631
                   +1 :               0.00001523755216
                3s
                   +0 :               0.00001925708521
                4s
                   +0 :              -0.00001633271828
                3p
                   -1 :               0.00020278448376
                   +0 :              -0.00014491715328
                   +1 :              -0.00006382109547
                4p
                   -1 :              -0.00005713832253
                   +0 :               0.00002118077487
                   +1 :               0.00002930369782
                3d
                   -2 :               0.00000619229511
                   -1 :              -0.00005321321304
                   +0 :              -0.00000986705202
                   +1 :              -0.00000091780448
                   +2 :              -0.00006534336150
             11 vec=   -15.560325     -2.752923      2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00004384968378
                2p
                   -1 :               0.00006865854270
                   +0 :               0.00004010047078
                   +1 :               0.00000907751006
                3s
                   +0 :               0.00031710451797
                4s
                   +0 :              -0.00009334890739
                3p
                   -1 :              -0.00047186842825
                   +0 :              -0.00026512973589
                   +1 :              -0.00011131725961
                4p
                   -1 :               0.00011011933471
                   +0 :               0.00003132598776
                   +1 :               0.00003215652299
                3d
                   -2 :               0.00006751741973
                   -1 :               0.00004548897602
                   +0 :               0.00000823522977
                   +1 :               0.00005001958083
                   +2 :              -0.00000581999756
             12 vec=    15.560325     -2.752923      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00003983500851
                2p
                   -1 :              -0.00002877601778
                   +0 :              -0.00001536832333
                   +1 :               0.00001892466789
                3s
                   +0 :               0.00007700103702
                4s
                   +0 :               0.00000519489331
                3p
                   -1 :               0.00004449402573
                   +0 :              -0.00006786573492
                   +1 :               0.00004429548849
                4p
                   -1 :              -0.00002976014011
                   +0 :               0.00000230090165
                   +1 :              -0.00001465981765
                3d
                   -2 :              -0.00002902650145
                   -1 :               0.00000067269567
                   +0 :               0.00002331500624
                   +1 :              -0.00004089154858
                   +2 :              -0.00001468584137
             13 vec=   -15.560325      6.230835      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00001046120715
                2p
                   -1 :              -0.00000888858604
                   +0 :              -0.00001276032773
                   +1 :              -0.00000822201541
                3s
                   +0 :               0.00005234004966
                4s
                   +0 :              -0.00000461939836
                3p
                   -1 :               0.00002477022748
                   +0 :               0.00001232005667
                   +1 :               0.00003784149821
                4p
                   -1 :               0.00000610351587
                   +0 :               0.00000883727651
                   +1 :              -0.00000862733334
                3d
                   -2 :              -0.00000676253791
                   -1 :               0.00000499668643
                   +0 :               0.00001472295413
                   +1 :              -0.00000856148032
                   +2 :              -0.00002428400377
             14 vec=    15.560325      6.230835      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00000106514450
                2p
                   -1 :               0.00002234804642
                   +0 :               0.00000252064599
                   +1 :               0.00000028811872
                3s
                   +0 :               0.00000330121894
                4s
                   +0 :               0.00000657736514
                3p
                   -1 :              -0.00011752393521
                   +0 :              -0.00003180905093
                   +1 :               0.00001097395784
                4p
                   -1 :               0.00003771298413
                   +0 :               0.00000254381902
                   +1 :              -0.00001379260335
                3d
                   -2 :              -0.00001487993581
                   -1 :              -0.00000207935029
                   +0 :              -0.00001220955291
                   +1 :               0.00001707220172
                   +2 :               0.00003020318721
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al(  6)  npairs=  13
              1 vec=     0.000000     -2.752923      9.762967   |vec|=   10.143673
                2s
                   +0 :               0.00047359901001
                2p
                   -1 :              -0.00031905045544
                   +0 :              -0.00020691545394
                   +1 :               0.00009519670945
                3s
                   +0 :              -0.00017096049687
                4s
                   +0 :              -0.00002236726720
                3p
                   -1 :               0.00125053558978
                   +0 :               0.00182038912406
                   +1 :              -0.00054647834383
                4p
                   -1 :              -0.00010362120448
                   +0 :              -0.00057719656843
                   +1 :               0.00015151678398
                3d
                   -2 :              -0.00021479726905
                   -1 :              -0.00060327713826
                   +0 :               0.00013816205876
                   +1 :               0.00010483923445
                   +2 :              -0.00001627967132
              2 vec=     0.000000      6.230835      9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00074801828612
                2p
                   -1 :              -0.00006391719857
                   +0 :              -0.00016493896589
                   +1 :              -0.00010846582332
                3s
                   +0 :               0.00258677998806
                4s
                   +0 :              -0.00110374563601
                3p
                   -1 :               0.00037969545627
                   +0 :               0.00140250794735
                   +1 :               0.00062956310018
                4p
                   -1 :              -0.00011740524230
                   +0 :              -0.00048006008508
                   +1 :              -0.00023507472396
                3d
                   -2 :              -0.00004559112676
                   -1 :               0.00008563880051
                   +0 :               0.00028602931820
                   +1 :               0.00005080156589
                   +2 :               0.00022050071601
              3 vec=    -7.780163      1.738956      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00003168033497
                2p
                   -1 :              -0.00009273783444
                   +0 :               0.00005538270767
                   +1 :              -0.00021674102271
                3s
                   +0 :               0.00144265237701
                4s
                   +0 :               0.00011596704708
                3p
                   -1 :               0.00104098358554
                   +0 :               0.00033377907775
                   +1 :              -0.00044504144740
                4p
                   -1 :              -0.00018309324339
                   +0 :               0.00005291168729
                   +1 :              -0.00034091169415
                3d
                   -2 :              -0.00027419603568
                   -1 :              -0.00001600973852
                   +0 :              -0.00024642810072
                   +1 :              -0.00019327959159
                   +2 :               0.00020065857733
              4 vec=     7.780163      1.738956      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00035526116997
                2p
                   -1 :               0.00016286321655
                   +0 :               0.00014023614939
                   +1 :               0.00034355777496
                3s
                   +0 :               0.00151597532610
                4s
                   +0 :               0.00016693959820
                3p
                   -1 :               0.00104137195054
                   +0 :               0.00038029798264
                   +1 :               0.00072320950658
                4p
                   -1 :               0.00001644134359
                   +0 :              -0.00006265879557
                   +1 :               0.00026752152658
                3d
                   -2 :               0.00062131528722
                   -1 :               0.00016881191098
                   +0 :              -0.00036889904201
                   +1 :               0.00014153438783
                   +2 :               0.00016715965870
              5 vec=    -7.780163     -7.244802      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00012748587469
                2p
                   -1 :               0.00006944475546
                   +0 :              -0.00001799083017
                   +1 :               0.00012498592186
                3s
                   +0 :               0.00054297551131
                4s
                   +0 :              -0.00020828059017
                3p
                   -1 :              -0.00036710461143
                   +0 :               0.00005588729440
                   +1 :              -0.00061343390093
                4p
                   -1 :               0.00014226354634
                   +0 :               0.00000594807095
                   +1 :               0.00017943518253
                3d
                   -2 :              -0.00002459128895
                   -1 :               0.00000221171576
                   +0 :              -0.00004623748093
                   +1 :              -0.00010329494152
                   +2 :               0.00005325780055
              6 vec=     7.780163     -7.244802      9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00002064257657
                2p
                   -1 :              -0.00017677089078
                   +0 :              -0.00001683928525
                   +1 :              -0.00006089305620
                3s
                   +0 :              -0.00014101292389
                4s
                   +0 :               0.00008181057452
                3p
                   -1 :               0.00086652126828
                   +0 :               0.00005089088366
                   +1 :               0.00023144128604
                4p
                   -1 :              -0.00018096483632
                   +0 :              -0.00001593245887
                   +1 :               0.00000369875216
                3d
                   -2 :               0.00009113729393
                   -1 :               0.00011582096066
                   +0 :              -0.00001189033080
                   +1 :               0.00007171473963
                   +2 :               0.00014543302213
              7 vec=     0.000000     -2.752923    -14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00008351378244
                2p
                   -1 :               0.00004412745075
                   +0 :              -0.00003431972167
                   +1 :              -0.00010155932333
                3s
                   +0 :              -0.00071964546276
                4s
                   +0 :               0.00019801581467
                3p
                   -1 :              -0.00029484681708
                   +0 :               0.00046017535192
                   +1 :               0.00051803964426
                4p
                   -1 :               0.00001449337777
                   +0 :              -0.00012853744706
                   +1 :              -0.00014001045325
                3d
                   -2 :               0.00001644103930
                   -1 :               0.00008313991664
                   +0 :              -0.00010789395261
                   +1 :              -0.00005527338189
                   +2 :               0.00005637126331
              8 vec=     0.000000    -11.736681      9.762967   |vec|=   15.266473
                2s
                   +0 :               0.00018646102893
                2p
                   -1 :              -0.00013308799665
                   +0 :               0.00016746118275
                   +1 :               0.00001355438084
                3s
                   +0 :              -0.00055336212623
                4s
                   +0 :               0.00022572675477
                3p
                   -1 :               0.00060908674455
                   +0 :              -0.00071246697922
                   +1 :              -0.00016728385199
                4p
                   -1 :              -0.00017949966255
                   +0 :               0.00021902104565
                   +1 :               0.00009417219945
                3d
                   -2 :              -0.00001692783589
                   -1 :               0.00024771919286
                   +0 :              -0.00003877224301
                   +1 :               0.00001170064072
                   +2 :               0.00010008787578
              9 vec=     0.000000      6.230835    -14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00008041757434
                2p
                   -1 :              -0.00004908361361
                   +0 :               0.00003683648299
                   +1 :              -0.00002291802094
                3s
                   +0 :               0.00024826931160
                4s
                   +0 :              -0.00012879462017
                3p
                   -1 :               0.00046117426507
                   +0 :              -0.00029782785795
                   +1 :               0.00008995660664
                4p
                   -1 :              -0.00007875618463
                   +0 :               0.00010181080190
                   +1 :              -0.00002162431779
                3d
                   -2 :               0.00002697112360
                   -1 :              -0.00011951501792
                   +0 :               0.00002160151846
                   +1 :              -0.00002909714005
                   +2 :              -0.00000024480894
             10 vec=    -7.780163     10.722714      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00008352134459
                2p
                   -1 :              -0.00005426428896
                   +0 :              -0.00000342558826
                   +1 :               0.00002905675351
                3s
                   +0 :               0.00037390040100
                4s
                   +0 :              -0.00013672247097
                3p
                   -1 :               0.00032916838572
                   +0 :              -0.00002938631668
                   +1 :              -0.00010714456015
                4p
                   -1 :              -0.00011068601381
                   +0 :               0.00000709968298
                   +1 :               0.00003581724985
                3d
                   -2 :               0.00000373716191
                   -1 :               0.00000071230416
                   +0 :              -0.00001998713849
                   +1 :               0.00003245019895
                   +2 :               0.00002222657736
             11 vec=     7.780163     10.722714      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00006103114845
                2p
                   -1 :              -0.00003804796258
                   +0 :              -0.00000404219287
                   +1 :              -0.00001530271859
                3s
                   +0 :               0.00019620353918
                4s
                   +0 :              -0.00005778420078
                3p
                   -1 :               0.00014323972063
                   +0 :               0.00002651857751
                   +1 :               0.00002801200713
                4p
                   -1 :              -0.00005340493728
                   +0 :               0.00000975045363
                   +1 :              -0.00000338450924
                3d
                   -2 :               0.00002032868009
                   -1 :               0.00001290880693
                   +0 :               0.00000679791719
                   +1 :               0.00004129343282
                   +2 :               0.00001574660609
             12 vec=    -7.780163      1.738956    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00011491481695
                2p
                   -1 :              -0.00000018862497
                   +0 :              -0.00003401525849
                   +1 :              -0.00003013473478
                3s
                   +0 :              -0.00060872245135
                4s
                   +0 :               0.00012563569445
                3p
                   -1 :               0.00006074470939
                   +0 :               0.00020916774836
                   +1 :               0.00024742114522
                4p
                   -1 :              -0.00000645668941
                   +0 :              -0.00005402524601
                   +1 :              -0.00002452170532
                3d
                   -2 :              -0.00007765376489
                   -1 :              -0.00002025218540
                   +0 :               0.00002240803070
                   +1 :              -0.00001343769910
                   +2 :              -0.00000873357514
             13 vec=     7.780163      1.738956    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00014806000145
                2p
                   -1 :              -0.00002231111965
                   +0 :              -0.00004325346290
                   +1 :               0.00001241093977
                3s
                   +0 :              -0.00059065612372
                4s
                   +0 :               0.00010298169453
                3p
                   -1 :               0.00020024454038
                   +0 :               0.00017300827350
                   +1 :              -0.00011222359365
                4p
                   -1 :              -0.00003357884718
                   +0 :              -0.00001390210309
                   +1 :              -0.00000653505858
                3d
                   -2 :               0.00011290961829
                   -1 :              -0.00004683856253
                   +0 :               0.00004977767706
                   +1 :               0.00002270611075
                   +2 :              -0.00000482147413
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al(  7)  npairs=  14
              1 vec=     0.000000     -2.752923     -2.510804   |vec|=    3.725953
                2s
                   +0 :              -0.02031270929969
                2p
                   -1 :               0.02583002398483
                   +0 :               0.01875845993014
                   +1 :               0.00266634298395
                3s
                   +0 :              -0.08082395664890
                4s
                   +0 :              -0.00616582488658
                3p
                   -1 :               0.05382890260715
                   +0 :               0.02993870607405
                   +1 :              -0.00705587292613
                4p
                   -1 :               0.01335397191461
                   +0 :               0.00962669344078
                   +1 :               0.00314140090925
                3d
                   -2 :              -0.00166628940849
                   -1 :              -0.03844224168316
                   +0 :               0.00919376427482
                   +1 :              -0.00067475678874
                   +2 :               0.03846958749246
              2 vec=     0.000000      6.230835     -2.510804   |vec|=    6.717696
                2s
                   +0 :               0.00215512542414
                2p
                   -1 :               0.00174583436032
                   +0 :              -0.00054102394952
                   +1 :               0.00059492490825
                3s
                   +0 :              -0.00875772384456
                4s
                   +0 :               0.00532329159327
                3p
                   -1 :              -0.00668137769656
                   +0 :               0.00009447063512
                   +1 :              -0.00302193719924
                4p
                   -1 :               0.00313645742673
                   +0 :              -0.00158733296978
                   +1 :               0.00100959536451
                3d
                   -2 :               0.00021623868422
                   -1 :               0.00038029776162
                   +0 :              -0.00283251978609
                   +1 :              -0.00006615682303
                   +2 :               0.00091406137814
              3 vec=    -7.780163      1.738956     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00069105417702
                2p
                   -1 :              -0.00009055305755
                   +0 :               0.00038740667543
                   +1 :               0.00037692340090
                3s
                   +0 :               0.00633549655078
                4s
                   +0 :              -0.00284395117019
                3p
                   -1 :               0.00143419426984
                   +0 :              -0.00457045922521
                   +1 :              -0.00465626816919
                4p
                   -1 :              -0.00003095109767
                   +0 :               0.00121886012634
                   +1 :               0.00180989857179
                3d
                   -2 :              -0.00038502408077
                   -1 :              -0.00027557874204
                   +0 :               0.00035921727069
                   +1 :               0.00134823725945
                   +2 :               0.00067810095784
              4 vec=     7.780163      1.738956     -2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00108974055297
                2p
                   -1 :              -0.00033277017473
                   +0 :               0.00015810498832
                   +1 :              -0.00017383662696
                3s
                   +0 :               0.00434673941847
                4s
                   +0 :              -0.00213770602584
                3p
                   -1 :               0.00108382560731
                   +0 :              -0.00114101423730
                   +1 :               0.00240858117179
                4p
                   -1 :              -0.00017720463504
                   +0 :               0.00044349222542
                   +1 :              -0.00060260697338
                3d
                   -2 :               0.00075089859306
                   -1 :              -0.00058323257380
                   +0 :               0.00015515526924
                   +1 :               0.00003103626898
                   +2 :              -0.00031143350755
              5 vec=    -7.780163     -7.244802     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00005294585116
                2p
                   -1 :              -0.00008181915980
                   +0 :               0.00006569601130
                   +1 :              -0.00004571296888
                3s
                   +0 :              -0.00072352088899
                4s
                   +0 :               0.00042402266517
                3p
                   -1 :               0.00057094747668
                   +0 :              -0.00008881930966
                   +1 :               0.00121283518472
                4p
                   -1 :              -0.00020118136332
                   +0 :              -0.00004555696547
                   +1 :              -0.00040918689671
                3d
                   -2 :              -0.00006894599755
                   -1 :              -0.00009969298936
                   +0 :               0.00010606574096
                   +1 :               0.00004577396134
                   +2 :              -0.00027876978602
              6 vec=     7.780163     -7.244802     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00033672132738
                2p
                   -1 :               0.00020685525129
                   +0 :              -0.00035870881231
                   +1 :              -0.00024060446115
                3s
                   +0 :              -0.00063426204338
                4s
                   +0 :               0.00015441126367
                3p
                   -1 :              -0.00046806836296
                   +0 :               0.00158081035626
                   +1 :              -0.00012265225525
                4p
                   -1 :               0.00005278010882
                   +0 :              -0.00043332492417
                   +1 :              -0.00013066918352
                3d
                   -2 :              -0.00008183692760
                   -1 :              -0.00032196347606
                   +0 :              -0.00001768797846
                   +1 :               0.00001650105395
                   +2 :              -0.00035474579360
              7 vec=     0.000000    -11.736681     -2.510804   |vec|=   12.002242
                2s
                   +0 :               0.00017207818893
                2p
                   -1 :               0.00005093991724
                   +0 :              -0.00008583730557
                   +1 :               0.00020482065448
                3s
                   +0 :              -0.00032374704084
                4s
                   +0 :              -0.00034093122293
                3p
                   -1 :              -0.00058042267105
                   +0 :               0.00043298933234
                   +1 :              -0.00105940428596
                4p
                   -1 :               0.00047825291488
                   +0 :              -0.00012721438332
                   +1 :               0.00023190906579
                3d
                   -2 :               0.00044945816965
                   -1 :              -0.00013180231248
                   +0 :              -0.00000545621133
                   +1 :               0.00011290813255
                   +2 :               0.00004327035534
              8 vec=    -7.780163     10.722714     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00016417462895
                2p
                   -1 :               0.00001127363662
                   +0 :               0.00007363746203
                   +1 :               0.00000216609549
                3s
                   +0 :               0.00062630978839
                4s
                   +0 :              -0.00015574367563
                3p
                   -1 :              -0.00006915327382
                   +0 :              -0.00038929907474
                   +1 :              -0.00010002850628
                4p
                   -1 :               0.00002543824792
                   +0 :               0.00002790582161
                   +1 :               0.00004388011328
                3d
                   -2 :               0.00013795833207
                   -1 :              -0.00003701812173
                   +0 :               0.00004881525901
                   +1 :               0.00018853841588
                   +2 :               0.00023905869981
              9 vec=     7.780163     10.722714     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00016036861104
                2p
                   -1 :              -0.00004041857625
                   +0 :              -0.00007837556096
                   +1 :              -0.00001039300797
                3s
                   +0 :               0.00037665404420
                4s
                   +0 :               0.00001850251840
                3p
                   -1 :               0.00003102672089
                   +0 :               0.00029756188971
                   +1 :              -0.00004056831816
                4p
                   -1 :               0.00006856065336
                   +0 :              -0.00005752137770
                   +1 :               0.00007537591630
                3d
                   -2 :              -0.00000472690801
                   -1 :               0.00008025889070
                   +0 :               0.00000683194502
                   +1 :              -0.00000445267951
                   +2 :               0.00003614183401
             10 vec=     0.000000     15.214593     -2.510804   |vec|=   15.420376
                2s
                   +0 :               0.00001846998322
                2p
                   -1 :               0.00004833765709
                   +0 :               0.00002597796532
                   +1 :               0.00001388756338
                3s
                   +0 :              -0.00003191064224
                4s
                   +0 :               0.00001955431855
                3p
                   -1 :              -0.00021195245826
                   +0 :              -0.00013944360862
                   +1 :              -0.00005992560165
                4p
                   -1 :               0.00005949521956
                   +0 :               0.00002010440669
                   +1 :               0.00002903092827
                3d
                   -2 :               0.00000540581450
                   -1 :              -0.00005230393047
                   +0 :               0.00001126888663
                   +1 :               0.00000105152208
                   +2 :               0.00006595256334
             11 vec=   -15.560325     -2.752923     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00003838675738
                2p
                   -1 :               0.00002939663933
                   +0 :              -0.00001608273164
                   +1 :               0.00001896429740
                3s
                   +0 :              -0.00009227696745
                4s
                   +0 :              -0.00000537230676
                3p
                   -1 :              -0.00004469285183
                   +0 :              -0.00006649079085
                   +1 :               0.00005476512894
                4p
                   -1 :               0.00003091819849
                   +0 :               0.00000280905040
                   +1 :              -0.00001410880135
                3d
                   -2 :              -0.00002971055019
                   -1 :              -0.00000081989305
                   +0 :              -0.00002342703959
                   +1 :               0.00004118128519
                   +2 :               0.00001278703368
             12 vec=    15.560325     -2.752923     -2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00004791759637
                2p
                   -1 :              -0.00006780887736
                   +0 :               0.00004003284248
                   +1 :               0.00000959770610
                3s
                   +0 :              -0.00034498241151
                4s
                   +0 :               0.00009871291389
                3p
                   -1 :               0.00046970908341
                   +0 :              -0.00025987150865
                   +1 :              -0.00012159285610
                4p
                   -1 :              -0.00011000836406
                   +0 :               0.00003065641259
                   +1 :               0.00003350441312
                3d
                   -2 :               0.00006668653571
                   -1 :               0.00004565135162
                   +0 :              -0.00000748368074
                   +1 :              -0.00005004147684
                   +2 :               0.00000454658328
             13 vec=   -15.560325      6.230835     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00000205404072
                2p
                   -1 :              -0.00002405894612
                   +0 :               0.00000307212719
                   +1 :              -0.00000133996990
                3s
                   +0 :              -0.00000078192704
                4s
                   +0 :              -0.00000530998386
                3p
                   -1 :               0.00012962846304
                   +0 :              -0.00003596917356
                   +1 :               0.00001390614348
                4p
                   -1 :              -0.00003895123200
                   +0 :               0.00000322766390
                   +1 :              -0.00001441599974
                3d
                   -2 :              -0.00001565259094
                   -1 :              -0.00000205427253
                   +0 :               0.00001174722764
                   +1 :              -0.00001523306815
                   +2 :              -0.00003065289884
             14 vec=    15.560325      6.230835     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00001285418690
                2p
                   -1 :               0.00000993959365
                   +0 :              -0.00001131110770
                   +1 :              -0.00000783582304
                3s
                   +0 :              -0.00006418051235
                4s
                   +0 :               0.00000581201859
                3p
                   -1 :              -0.00002964747983
                   +0 :               0.00000794894891
                   +1 :               0.00003598831780
                4p
                   -1 :              -0.00000529067320
                   +0 :               0.00000857876936
                   +1 :              -0.00000917871128
                3d
                   -2 :              -0.00000574306487
                   -1 :               0.00000456975325
                   +0 :              -0.00001550445531
                   +1 :               0.00000599359001
                   +2 :               0.00002269776980
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al(  8)  npairs=  13
              1 vec=     0.000000     -2.752923     -9.763130   |vec|=   10.143831
                2s
                   +0 :              -0.00049021154723
                2p
                   -1 :               0.00034752926562
                   +0 :              -0.00018236247682
                   +1 :               0.00011416217466
                3s
                   +0 :               0.00013064605495
                4s
                   +0 :              -0.00004105077653
                3p
                   -1 :              -0.00159027194347
                   +0 :               0.00157605701736
                   +1 :              -0.00068748039983
                4p
                   -1 :               0.00022287051957
                   +0 :              -0.00055914888677
                   +1 :               0.00019253639218
                3d
                   -2 :              -0.00010552733281
                   -1 :              -0.00057763489879
                   +0 :              -0.00015667057393
                   +1 :              -0.00006198756564
                   +2 :              -0.00001725696132
              2 vec=     0.000000      6.230835     -9.763130   |vec|=   11.581970
                2s
                   +0 :               0.00072048549665
                2p
                   -1 :               0.00007137947075
                   +0 :              -0.00018970549699
                   +1 :              -0.00012111480487
                3s
                   +0 :              -0.00257542498352
                4s
                   +0 :               0.00110705768662
                3p
                   -1 :              -0.00036544730647
                   +0 :               0.00134188340077
                   +1 :               0.00058915562716
                4p
                   -1 :               0.00008876554649
                   +0 :              -0.00047166893523
                   +1 :              -0.00019212436293
                3d
                   -2 :              -0.00005823719976
                   -1 :               0.00008494379800
                   +0 :              -0.00025415183617
                   +1 :              -0.00002721933531
                   +2 :              -0.00026194217244
              3 vec=    -7.780163      1.738956     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00033009097888
                2p
                   -1 :              -0.00017078974865
                   +0 :               0.00013989123685
                   +1 :               0.00034912912774
                3s
                   +0 :              -0.00196802041473
                4s
                   +0 :              -0.00007839491894
                3p
                   -1 :              -0.00100851350293
                   +0 :               0.00027090446028
                   +1 :               0.00079443425105
                4p
                   -1 :              -0.00006598485996
                   +0 :              -0.00004729656333
                   +1 :               0.00024037350460
                3d
                   -2 :               0.00061056423398
                   -1 :               0.00014229303961
                   +0 :               0.00032860662740
                   +1 :              -0.00018297055179
                   +2 :              -0.00017340255427
              4 vec=     7.780163      1.738956     -9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00007589212797
                2p
                   -1 :               0.00008790204255
                   +0 :               0.00008547451830
                   +1 :              -0.00022613811878
                3s
                   +0 :              -0.00157925389392
                4s
                   +0 :              -0.00001336754005
                3p
                   -1 :              -0.00104292380353
                   +0 :              -0.00002668753168
                   +1 :              -0.00065062054858
                4p
                   -1 :               0.00018859976940
                   +0 :               0.00014491559287
                   +1 :              -0.00020145460610
                3d
                   -2 :              -0.00030564159975
                   -1 :              -0.00000593228352
                   +0 :               0.00022169119968
                   +1 :               0.00016277889014
                   +2 :              -0.00018333442533
              5 vec=    -7.780163     -7.244802     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00000353725944
                2p
                   -1 :               0.00017037804996
                   +0 :              -0.00001699415096
                   +1 :              -0.00006095685787
                3s
                   +0 :              -0.00001319578278
                4s
                   +0 :              -0.00005152604405
                3p
                   -1 :              -0.00079094032972
                   +0 :               0.00006584296960
                   +1 :               0.00020314798017
                4p
                   -1 :               0.00015863796291
                   +0 :              -0.00001458848360
                   +1 :               0.00001659202151
                3d
                   -2 :               0.00010911001917
                   -1 :               0.00011628725903
                   +0 :               0.00000762383851
                   +1 :              -0.00004222522555
                   +2 :              -0.00013969325442
              6 vec=     7.780163     -7.244802     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00016738271388
                2p
                   -1 :              -0.00006278355505
                   +0 :              -0.00001695289345
                   +1 :               0.00012892826183
                3s
                   +0 :              -0.00063782923177
                4s
                   +0 :               0.00019910769746
                3p
                   -1 :               0.00029469423252
                   +0 :               0.00008978318683
                   +1 :              -0.00062631168358
                4p
                   -1 :              -0.00011822231536
                   +0 :              -0.00001621982633
                   +1 :               0.00016186734935
                3d
                   -2 :              -0.00001839259231
                   -1 :               0.00001215782946
                   +0 :               0.00003675313384
                   +1 :               0.00009622954501
                   +2 :              -0.00006823902844
              7 vec=     0.000000     -2.752923     14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00000801494611
                2p
                   -1 :              -0.00003905411604
                   +0 :               0.00001160131557
                   +1 :              -0.00011833018485
                3s
                   +0 :               0.00033581266528
                4s
                   +0 :              -0.00009851712334
                3p
                   -1 :               0.00032203610206
                   +0 :               0.00011725566288
                   +1 :               0.00060662599688
                4p
                   -1 :              -0.00004860978375
                   +0 :              -0.00006857289401
                   +1 :              -0.00016418244873
                3d
                   -2 :               0.00002835358026
                   -1 :               0.00008167513077
                   +0 :               0.00003957473606
                   +1 :               0.00005776932990
                   +2 :              -0.00000370195047
              8 vec=     0.000000    -11.736681     -9.763130   |vec|=   15.266578
                2s
                   +0 :              -0.00018925303589
                2p
                   -1 :               0.00011681000009
                   +0 :               0.00014662344822
                   +1 :               0.00001125567374
                3s
                   +0 :               0.00053864643333
                4s
                   +0 :              -0.00019252272003
                3p
                   -1 :              -0.00042431013203
                   +0 :              -0.00062060404373
                   +1 :              -0.00009524026444
                4p
                   -1 :               0.00012699499035
                   +0 :               0.00020259530345
                   +1 :               0.00007803909251
                3d
                   -2 :              -0.00006810680251
                   -1 :               0.00028045919477
                   +0 :               0.00007395037932
                   +1 :              -0.00004331044406
                   +2 :              -0.00006157743752
              9 vec=     0.000000      6.230835     14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00004450026682
                2p
                   -1 :              -0.00000261299364
                   +0 :              -0.00001326049140
                   +1 :              -0.00002393662671
                3s
                   +0 :               0.00020674193082
                4s
                   +0 :              -0.00001424560906
                3p
                   -1 :              -0.00017629796015
                   +0 :              -0.00003311187717
                   +1 :               0.00007271757078
                4p
                   -1 :               0.00005590283383
                   +0 :               0.00003628694453
                   +1 :              -0.00001386058575
                3d
                   -2 :              -0.00001694378848
                   -1 :              -0.00004879610561
                   +0 :               0.00000543018282
                   +1 :               0.00002355560378
                   +2 :              -0.00000746660581
             10 vec=    -7.780163     10.722714     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00008869892772
                2p
                   -1 :               0.00004740818356
                   +0 :              -0.00001290527883
                   +1 :              -0.00002185098240
                3s
                   +0 :              -0.00024630098937
                4s
                   +0 :               0.00006470213960
                3p
                   -1 :              -0.00019621351723
                   +0 :               0.00006400860573
                   +1 :               0.00008012649318
                4p
                   -1 :               0.00004972693702
                   +0 :              -0.00000772353083
                   +1 :              -0.00000820016005
                3d
                   -2 :               0.00004546968888
                   -1 :               0.00001133269057
                   +0 :               0.00002002503516
                   +1 :              -0.00000187726952
                   +2 :               0.00000331327593
             11 vec=     7.780163     10.722714     -9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00007599786113
                2p
                   -1 :               0.00004586373677
                   +0 :              -0.00000853660453
                   +1 :               0.00003697551897
                3s
                   +0 :              -0.00029390599577
                4s
                   +0 :               0.00009147388056
                3p
                   -1 :              -0.00024130218176
                   +0 :               0.00002082431464
                   +1 :              -0.00014461317288
                4p
                   -1 :               0.00007726985294
                   +0 :              -0.00000304588286
                   +1 :               0.00003412828847
                3d
                   -2 :              -0.00000718703827
                   -1 :               0.00000967453148
                   +0 :               0.00001971631638
                   +1 :              -0.00003143507104
                   +2 :              -0.00002488700807
             12 vec=    -7.780163      1.738956     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00011106157646
                2p
                   -1 :              -0.00004338486633
                   +0 :              -0.00002380327995
                   +1 :              -0.00000244068138
                3s
                   +0 :               0.00066479700839
                4s
                   +0 :              -0.00018360861116
                3p
                   -1 :               0.00007111062155
                   +0 :               0.00015382142651
                   +1 :              -0.00020223508487
                4p
                   -1 :              -0.00005630162470
                   +0 :              -0.00004141779927
                   +1 :               0.00003327228514
                3d
                   -2 :               0.00007753245456
                   -1 :              -0.00001194759256
                   +0 :              -0.00004730185682
                   +1 :              -0.00002796039670
                   +2 :               0.00009483483074
             13 vec=     7.780163      1.738956     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00003724098848
                2p
                   -1 :              -0.00000994881699
                   +0 :               0.00000556687060
                   +1 :               0.00000253928518
                3s
                   +0 :               0.00047472671920
                4s
                   +0 :              -0.00010729280650
                3p
                   -1 :               0.00000067674078
                   +0 :               0.00002788201303
                   +1 :               0.00010861942419
                4p
                   -1 :               0.00000357790494
                   +0 :              -0.00002515241022
                   +1 :              -0.00002108869312
                3d
                   -2 :              -0.00007665190443
                   -1 :              -0.00003575390802
                   +0 :              -0.00006048071778
                   +1 :              -0.00000727424907
                   +2 :              -0.00004543161253
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al(  9)  npairs=  15
              1 vec=    -2.593388      1.738956     10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00083567707256
                2p
                   -1 :               0.00029290692221
                   +0 :               0.00044055193685
                   +1 :              -0.00033257285285
                3s
                   +0 :              -0.00103518306123
                4s
                   +0 :               0.00032043572721
                3p
                   -1 :              -0.00129344505876
                   +0 :              -0.00073882955821
                   +1 :               0.00262212429350
                4p
                   -1 :               0.00015405075610
                   +0 :               0.00018829779560
                   +1 :              -0.00057475508095
                3d
                   -2 :               0.00014554171823
                   -1 :              -0.00013473449935
                   +0 :               0.00016809514275
                   +1 :               0.00030690245792
                   +2 :              -0.00012011600070
              2 vec=     5.186775     -2.752923     10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00006841014299
                2p
                   -1 :               0.00005729089932
                   +0 :               0.00008685632545
                   +1 :               0.00009465850591
                3s
                   +0 :               0.00043553734039
                4s
                   +0 :              -0.00014914777833
                3p
                   -1 :              -0.00075347443349
                   +0 :              -0.00037791861321
                   +1 :              -0.00042385885127
                4p
                   -1 :               0.00000315854033
                   +0 :               0.00000669782980
                   +1 :               0.00004065687549
                3d
                   -2 :               0.00024283159775
                   -1 :              -0.00009657952673
                   +0 :              -0.00040252382647
                   +1 :              -0.00030253153585
                   +2 :              -0.00042773702416
              3 vec=    -2.593388     -7.244802     10.693319   |vec|=   13.174213
                2s
                   +0 :              -0.00028206805678
                2p
                   -1 :              -0.00010764028658
                   +0 :              -0.00002343771942
                   +1 :               0.00011496469421
                3s
                   +0 :               0.00234647517053
                4s
                   +0 :              -0.00034299029800
                3p
                   -1 :              -0.00066741297171
                   +0 :               0.00119184888993
                   +1 :              -0.00075239494471
                4p
                   -1 :              -0.00005134371338
                   +0 :              -0.00008009037774
                   +1 :               0.00021971191501
                3d
                   -2 :               0.00003896485184
                   -1 :              -0.00028898318294
                   +0 :               0.00018276287562
                   +1 :              -0.00013327462800
                   +2 :              -0.00018163305172
              4 vec=     5.186775      6.230835     10.693319   |vec|=   13.419128
                2s
                   +0 :              -0.00023554015728
                2p
                   -1 :              -0.00000738789819
                   +0 :               0.00001128679577
                   +1 :              -0.00001758813064
                3s
                   +0 :               0.00257923676595
                4s
                   +0 :              -0.00047398089246
                3p
                   -1 :               0.00083396665059
                   +0 :               0.00112352032636
                   +1 :               0.00127157845384
                4p
                   -1 :              -0.00014544936000
                   +0 :              -0.00008816308860
                   +1 :              -0.00006109584705
                3d
                   -2 :               0.00033942879266
                   -1 :               0.00019946174282
                   +0 :               0.00023730714842
                   +1 :               0.00047118997141
                   +2 :               0.00015690631543
              5 vec=    -2.593388      1.738956    -13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00001423314894
                2p
                   -1 :               0.00002278799121
                   +0 :              -0.00001041224706
                   +1 :               0.00011315092929
                3s
                   +0 :              -0.00024601229863
                4s
                   +0 :               0.00004471332434
                3p
                   -1 :              -0.00004404663274
                   +0 :               0.00001832526484
                   +1 :              -0.00059009346139
                4p
                   -1 :              -0.00002782999054
                   +0 :               0.00001791947803
                   +1 :               0.00013428377236
                3d
                   -2 :               0.00004776289649
                   -1 :               0.00004074920861
                   +0 :               0.00001064076632
                   +1 :               0.00002530419960
                   +2 :              -0.00001258679023
              6 vec=     5.186775     -2.752923    -13.854224   |vec|=   15.047283
                2s
                   +0 :               0.00009798754572
                2p
                   -1 :              -0.00008766176309
                   +0 :               0.00000234567894
                   +1 :               0.00009308397551
                3s
                   +0 :              -0.00036199792062
                4s
                   +0 :               0.00007880812843
                3p
                   -1 :               0.00038972098240
                   +0 :              -0.00005527144925
                   +1 :              -0.00022086679702
                4p
                   -1 :              -0.00013325150913
                   +0 :              -0.00000394287652
                   +1 :               0.00001073861207
                3d
                   -2 :               0.00006967336914
                   -1 :              -0.00000196939690
                   +0 :               0.00007471500124
                   +1 :               0.00000205934171
                   +2 :              -0.00002158360090
              7 vec=   -10.373550     -2.752923     10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00002907701233
                2p
                   -1 :               0.00004647703237
                   +0 :               0.00002201503301
                   +1 :              -0.00002374843937
                3s
                   +0 :               0.00004213867308
                4s
                   +0 :               0.00001738518212
                3p
                   -1 :              -0.00018354628834
                   +0 :              -0.00018910161447
                   +1 :               0.00020594405658
                4p
                   -1 :               0.00001774166631
                   +0 :               0.00004349771196
                   +1 :              -0.00005955022551
                3d
                   -2 :              -0.00000141097745
                   -1 :               0.00002621798571
                   +0 :               0.00003975282819
                   +1 :               0.00004140161272
                   +2 :              -0.00003998894816
              8 vec=    -2.593388     10.722714     10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00010225720061
                2p
                   -1 :              -0.00001642314352
                   +0 :               0.00000372306422
                   +1 :               0.00003902356863
                3s
                   +0 :               0.00030615901461
                4s
                   +0 :               0.00001536438631
                3p
                   -1 :               0.00003768918006
                   +0 :              -0.00010977715767
                   +1 :              -0.00024552590213
                4p
                   -1 :               0.00003150484537
                   +0 :               0.00007230022550
                   +1 :               0.00004756110251
                3d
                   -2 :              -0.00004242267102
                   -1 :              -0.00000808948440
                   +0 :              -0.00001072095828
                   +1 :               0.00000375669937
                   +2 :               0.00004501926469
              9 vec=    -2.593388     -7.244802    -13.854224   |vec|=   15.847786
                2s
                   +0 :               0.00008830050976
                2p
                   -1 :              -0.00003904807577
                   +0 :              -0.00001552484733
                   +1 :               0.00001417043621
                3s
                   +0 :              -0.00047452428195
                4s
                   +0 :               0.00015344781450
                3p
                   -1 :               0.00033823417940
                   +0 :               0.00022354629290
                   +1 :               0.00010111257382
                4p
                   -1 :              -0.00005237207927
                   +0 :              -0.00008724209552
                   +1 :               0.00000070317392
                3d
                   -2 :              -0.00003125645121
                   -1 :              -0.00006290907915
                   +0 :              -0.00002959109944
                   +1 :               0.00002179791820
                   +2 :               0.00000877346604
             10 vec=     5.186775      6.230835    -13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00003681613873
                2p
                   -1 :               0.00001787056024
                   +0 :              -0.00000498320073
                   +1 :              -0.00002243015861
                3s
                   +0 :              -0.00042514063281
                4s
                   +0 :               0.00011446125518
                3p
                   -1 :              -0.00026370367104
                   +0 :               0.00017375936300
                   +1 :               0.00007982489109
                4p
                   -1 :               0.00000717696464
                   +0 :              -0.00007941309712
                   +1 :               0.00001951652717
                3d
                   -2 :               0.00001149871184
                   -1 :              -0.00005025030595
                   +0 :               0.00001322489748
                   +1 :              -0.00000088191527
                   +2 :               0.00006683427327
             11 vec=   -10.373550      6.230835     10.693319   |vec|=   16.148712
                2s
                   +0 :               0.00022292351479
                2p
                   -1 :               0.00004617306714
                   +0 :               0.00008280366014
                   +1 :              -0.00007584268261
                3s
                   +0 :              -0.00076747225400
                4s
                   +0 :               0.00032641087909
                3p
                   -1 :              -0.00020602118619
                   +0 :              -0.00036929553964
                   +1 :               0.00037316604803
                4p
                   -1 :               0.00004589243680
                   +0 :               0.00014791831916
                   +1 :              -0.00010058121558
                3d
                   -2 :               0.00003548078183
                   -1 :              -0.00003926783403
                   +0 :              -0.00002486593180
                   +1 :               0.00004671208779
                   +2 :              -0.00001520497565
             12 vec=     5.186775    -11.736681     10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00006838411153
                2p
                   -1 :              -0.00003026916334
                   +0 :               0.00004681282355
                   +1 :               0.00002496322531
                3s
                   +0 :              -0.00031918337368
                4s
                   +0 :               0.00010335511444
                3p
                   -1 :               0.00028936145478
                   +0 :              -0.00033044839430
                   +1 :              -0.00012372436922
                4p
                   -1 :              -0.00006230946818
                   +0 :               0.00007337499994
                   +1 :               0.00001071687757
                3d
                   -2 :               0.00006934604573
                   -1 :               0.00007400497429
                   +0 :              -0.00004669749512
                   +1 :              -0.00004324363279
                   +2 :              -0.00000177184578
             13 vec=    12.966938      1.738956     10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00003311232493
                2p
                   -1 :              -0.00000384183071
                   +0 :              -0.00000756011888
                   +1 :               0.00000995314430
                3s
                   +0 :               0.00009270980630
                4s
                   +0 :              -0.00000658972567
                3p
                   -1 :               0.00000761788163
                   +0 :               0.00004092514417
                   +1 :              -0.00013648130080
                4p
                   -1 :              -0.00000688715758
                   +0 :               0.00000371412803
                   +1 :               0.00004744459292
                3d
                   -2 :              -0.00001616607910
                   -1 :               0.00002613030911
                   +0 :               0.00001765101093
                   +1 :              -0.00001048760705
                   +2 :              -0.00002118444257
             14 vec=   -10.373550     -2.752923    -13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00000465003362
                2p
                   -1 :               0.00000518344130
                   +0 :               0.00000877544356
                   +1 :               0.00001346417853
                3s
                   +0 :              -0.00030615907169
                4s
                   +0 :               0.00002703808534
                3p
                   -1 :               0.00011449134186
                   +0 :               0.00005339313406
                   +1 :               0.00016765562074
                4p
                   -1 :              -0.00000146773306
                   +0 :              -0.00000706489457
                   +1 :               0.00000813130758
                3d
                   -2 :              -0.00005862075193
                   -1 :              -0.00002086770410
                   +0 :               0.00005545517715
                   +1 :              -0.00002977369520
                   +2 :              -0.00004767958555
             15 vec=    -2.593388     10.722714    -13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00002929910392
                2p
                   -1 :               0.00000635110950
                   +0 :              -0.00001361567615
                   +1 :               0.00000298744912
                3s
                   +0 :              -0.00023910237305
                4s
                   +0 :               0.00003981436840
                3p
                   -1 :              -0.00012399504940
                   +0 :               0.00010547345856
                   +1 :               0.00007828060681
                4p
                   -1 :               0.00000444141143
                   +0 :              -0.00003261077797
                   +1 :              -0.00000097655891
                3d
                   -2 :               0.00003760555524
                   -1 :               0.00001300972221
                   +0 :               0.00002208598066
                   +1 :              -0.00001275700068
                   +2 :               0.00000908706540
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al( 10)  npairs=  13
              1 vec=    -2.593388      1.738956     -6.601898   |vec|=    7.303060
                2s
                   +0 :               0.00162617234649
                2p
                   -1 :               0.00060081724497
                   +0 :              -0.00127573416115
                   +1 :              -0.00087415057197
                3s
                   +0 :              -0.00627987977275
                4s
                   +0 :               0.00242610930316
                3p
                   -1 :              -0.00111933543590
                   +0 :              -0.00041814154508
                   +1 :               0.00090291691250
                4p
                   -1 :               0.00004815560554
                   +0 :              -0.00172226499808
                   +1 :              -0.00031507860656
                3d
                   -2 :              -0.00254536072980
                   -1 :              -0.00138855937428
                   +0 :               0.00260372937232
                   +1 :               0.00218406728276
                   +2 :               0.00215853636016
              2 vec=     5.186775     -2.752923     -6.601898   |vec|=    8.835512
                2s
                   +0 :               0.00124595554520
                2p
                   -1 :              -0.00023712836435
                   +0 :               0.00011074352400
                   +1 :              -0.00024343536337
                3s
                   +0 :              -0.01612930985468
                4s
                   +0 :               0.00036427907784
                3p
                   -1 :               0.00675446485914
                   +0 :               0.00817403805353
                   +1 :              -0.00746727336681
                4p
                   -1 :              -0.00037509565411
                   +0 :               0.00052692159895
                   +1 :              -0.00068017278314
                3d
                   -2 :               0.00268475121347
                   -1 :              -0.00243016392673
                   +0 :              -0.00067480325132
                   +1 :               0.00356581977267
                   +2 :              -0.00103132007422
              3 vec=    -2.593388     -7.244802     -6.601898   |vec|=   10.138928
                2s
                   +0 :              -0.00062954492437
                2p
                   -1 :              -0.00054533559765
                   +0 :               0.00038277008859
                   +1 :               0.00052920551439
                3s
                   +0 :              -0.00080756838541
                4s
                   +0 :               0.00106577437037
                3p
                   -1 :               0.00403745035244
                   +0 :              -0.00112820689023
                   +1 :              -0.00154268715089
                4p
                   -1 :              -0.00143803096190
                   +0 :              -0.00025878410115
                   +1 :               0.00019967184726
                3d
                   -2 :              -0.00054537141859
                   -1 :              -0.00020340311196
                   +0 :              -0.00038366326433
                   +1 :               0.00027410657577
                   +2 :               0.00126805055904
              4 vec=     5.186775      6.230835     -6.601898   |vec|=   10.455190
                2s
                   +0 :               0.00038116911413
                2p
                   -1 :               0.00007461277691
                   +0 :              -0.00002873319261
                   +1 :               0.00013643219988
                3s
                   +0 :              -0.00211448655842
                4s
                   +0 :               0.00072836573424
                3p
                   -1 :              -0.00125073559255
                   +0 :              -0.00016188489091
                   +1 :              -0.00114909491509
                4p
                   -1 :               0.00044060771455
                   +0 :               0.00006775442923
                   +1 :               0.00042323655096
                3d
                   -2 :              -0.00036663130950
                   -1 :               0.00005692196817
                   +0 :              -0.00026276758061
                   +1 :               0.00017174658936
                   +2 :               0.00017053940225
              5 vec=   -10.373550     -2.752923     -6.601898   |vec|=   12.600563
                2s
                   +0 :               0.00027629534710
                2p
                   -1 :              -0.00005737395879
                   +0 :              -0.00011385801363
                   +1 :              -0.00003910565471
                3s
                   +0 :              -0.00076159214856
                4s
                   +0 :               0.00002873170771
                3p
                   -1 :               0.00031306573613
                   +0 :               0.00071172832366
                   +1 :              -0.00030775094529
                4p
                   -1 :              -0.00006680067309
                   +0 :              -0.00007004256410
                   +1 :               0.00022117632890
                3d
                   -2 :               0.00000126007672
                   -1 :              -0.00017052831840
                   +0 :              -0.00027532898611
                   +1 :              -0.00013798113856
                   +2 :               0.00021119616949
              6 vec=    -2.593388     10.722714     -6.601898   |vec|=   12.856411
                2s
                   +0 :              -0.00044126359155
                2p
                   -1 :              -0.00019743803607
                   +0 :               0.00012880703184
                   +1 :               0.00007774290690
                3s
                   +0 :               0.00142528210754
                4s
                   +0 :              -0.00047814061504
                3p
                   -1 :               0.00107311293406
                   +0 :              -0.00057235542441
                   +1 :              -0.00055955612855
                4p
                   -1 :              -0.00020527816698
                   +0 :               0.00017675481936
                   +1 :               0.00007534291722
                3d
                   -2 :              -0.00007580291780
                   -1 :              -0.00017084496815
                   +0 :              -0.00004225226369
                   +1 :               0.00002543600417
                   +2 :              -0.00010343682199
              7 vec=   -10.373550      6.230835     -6.601898   |vec|=   13.784734
                2s
                   +0 :              -0.00008053491075
                2p
                   -1 :               0.00004146769695
                   +0 :               0.00009358980976
                   +1 :              -0.00002067109208
                3s
                   +0 :               0.00006000292686
                4s
                   +0 :              -0.00012252038439
                3p
                   -1 :              -0.00035686324895
                   +0 :              -0.00049633664429
                   +1 :               0.00017340752272
                4p
                   -1 :               0.00009450331107
                   +0 :               0.00009561697605
                   +1 :               0.00003474715821
                3d
                   -2 :               0.00010243482986
                   -1 :              -0.00005487858810
                   +0 :              -0.00000449552233
                   +1 :               0.00005182457810
                   +2 :              -0.00003802418241
              8 vec=     5.186775    -11.736681     -6.601898   |vec|=   14.430432
                2s
                   +0 :              -0.00007662637278
                2p
                   -1 :               0.00000896628105
                   +0 :              -0.00003633454086
                   +1 :              -0.00002416292385
                3s
                   +0 :               0.00023010146021
                4s
                   +0 :              -0.00012150203869
                3p
                   -1 :               0.00010458408625
                   +0 :               0.00009843088684
                   +1 :               0.00018570953601
                4p
                   -1 :              -0.00003275073312
                   +0 :               0.00004472891305
                   +1 :              -0.00002159339094
                3d
                   -2 :              -0.00001725260205
                   -1 :              -0.00001855849528
                   +0 :               0.00007396174112
                   +1 :               0.00002464024321
                   +2 :               0.00011301869748
              9 vec=    12.966938      1.738956     -6.601898   |vec|=   14.654368
                2s
                   +0 :              -0.00004939085961
                2p
                   -1 :              -0.00002128402701
                   +0 :               0.00000114284239
                   +1 :              -0.00002924945982
                3s
                   +0 :               0.00004380685216
                4s
                   +0 :               0.00008476617009
                3p
                   -1 :               0.00001041524834
                   +0 :               0.00005711852372
                   +1 :               0.00016895565335
                4p
                   -1 :               0.00003109503325
                   +0 :              -0.00003110602678
                   +1 :              -0.00000263007804
                3d
                   -2 :               0.00003538749295
                   -1 :               0.00002777010737
                   +0 :              -0.00000598837818
                   +1 :               0.00001198801837
                   +2 :               0.00003538303051
             10 vec=    12.966938     -7.244802     -6.601898   |vec|=   16.254651
                2s
                   +0 :               0.00009008175851
                2p
                   -1 :              -0.00000017971788
                   +0 :              -0.00004409977802
                   +1 :               0.00002500930072
                3s
                   +0 :              -0.00032481042888
                4s
                   +0 :               0.00006880037649
                3p
                   -1 :              -0.00007526792456
                   +0 :               0.00022317944677
                   +1 :              -0.00013198920284
                4p
                   -1 :               0.00004918617795
                   +0 :              -0.00005411191932
                   +1 :               0.00001301683011
                3d
                   -2 :               0.00000518911564
                   -1 :              -0.00002595211325
                   +0 :              -0.00003868555089
                   +1 :               0.00002417215080
                   +2 :              -0.00002131593027
             11 vec=   -10.373550    -11.736681     -6.601898   |vec|=   16.998390
                2s
                   +0 :               0.00002261260402
                2p
                   -1 :              -0.00000192133422
                   +0 :               0.00001991017405
                   +1 :              -0.00000045146006
                3s
                   +0 :              -0.00001022220964
                4s
                   +0 :              -0.00004733950000
                3p
                   -1 :               0.00002267888669
                   +0 :              -0.00012472471270
                   +1 :              -0.00005009932544
                4p
                   -1 :               0.00000936089827
                   +0 :               0.00003398941499
                   +1 :               0.00003923453722
                3d
                   -2 :              -0.00002440881272
                   -1 :               0.00002895222980
                   +0 :               0.00001833105247
                   +1 :               0.00002071346885
                   +2 :               0.00002422439013
             12 vec=     5.186775     15.214593     -6.601898   |vec|=   17.377328
                2s
                   +0 :               0.00001408619880
                2p
                   -1 :               0.00000112037000
                   +0 :              -0.00003766495790
                   +1 :              -0.00002548861901
                3s
                   +0 :              -0.00008723827100
                4s
                   +0 :               0.00001042335640
                3p
                   -1 :              -0.00001562790272
                   +0 :               0.00019410329700
                   +1 :               0.00014335806586
                4p
                   -1 :              -0.00001093490823
                   +0 :              -0.00003651132279
                   +1 :              -0.00003658008773
                3d
                   -2 :               0.00003296920922
                   -1 :               0.00003710734843
                   +0 :              -0.00003439734272
                   +1 :               0.00001818738900
                   +2 :               0.00000877766830
             13 vec=    -2.593388    -16.228560     -6.601898   |vec|=   17.710925
                2s
                   +0 :               0.00002204365181
                2p
                   -1 :              -0.00001652051986
                   +0 :               0.00002743592302
                   +1 :               0.00002832073244
                3s
                   +0 :              -0.00015923803809
                4s
                   +0 :               0.00010354657084
                3p
                   -1 :               0.00013728359309
                   +0 :              -0.00010152357986
                   +1 :              -0.00016493654777
                4p
                   -1 :              -0.00006693760319
                   +0 :               0.00000849081959
                   +1 :               0.00005185212113
                3d
                   -2 :               0.00001536009389
                   -1 :               0.00003624685006
                   +0 :              -0.00001755741321
                   +1 :              -0.00000314896717
                   +2 :               0.00002505129237
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al( 11)  npairs=  14
              1 vec=    -2.593388      1.738956      5.671873   |vec|=    6.474548
                2s
                   +0 :              -0.00461962850193
                2p
                   -1 :              -0.00146710626151
                   +0 :              -0.00285203077077
                   +1 :               0.00174647368675
                3s
                   +0 :               0.01159560862778
                4s
                   +0 :              -0.00747989777101
                3p
                   -1 :               0.00444037431685
                   +0 :               0.01197638576877
                   +1 :              -0.00635635033024
                4p
                   -1 :              -0.00211869908438
                   +0 :              -0.00554414669982
                   +1 :               0.00329616127158
                3d
                   -2 :               0.00147210842531
                   -1 :               0.00042218291250
                   +0 :               0.00204841323126
                   +1 :              -0.00081463660500
                   +2 :              -0.00021130853279
              2 vec=     5.186775     -2.752923      5.671873   |vec|=    8.164029
                2s
                   +0 :               0.00133895987967
                2p
                   -1 :              -0.00043851017090
                   +0 :               0.00048383156487
                   +1 :               0.00117347761680
                3s
                   +0 :               0.00969180221030
                4s
                   +0 :               0.00150277060435
                3p
                   -1 :              -0.00732720729693
                   +0 :               0.00032857710027
                   +1 :               0.00348856996724
                4p
                   -1 :               0.00020534233822
                   +0 :               0.00040401952364
                   +1 :               0.00188228177816
                3d
                   -2 :              -0.00351469844869
                   -1 :              -0.00063859720188
                   +0 :              -0.00210996604473
                   +1 :               0.00024750029718
                   +2 :               0.00031165728498
              3 vec=    -2.593388     -7.244802      5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00046169713760
                2p
                   -1 :               0.00083763467288
                   +0 :               0.00011540705756
                   +1 :              -0.00067196069870
                3s
                   +0 :              -0.00079740852670
                4s
                   +0 :               0.00017288869482
                3p
                   -1 :              -0.00363989536375
                   +0 :              -0.00064674304704
                   +1 :               0.00326680440679
                4p
                   -1 :               0.00081502901150
                   +0 :               0.00026388347912
                   +1 :              -0.00067760398508
                3d
                   -2 :               0.00068723915422
                   -1 :              -0.00089467189562
                   +0 :               0.00018772350592
                   +1 :               0.00029928154275
                   +2 :              -0.00079474388033
              4 vec=     5.186775      6.230835      5.671873   |vec|=    9.894245
                2s
                   +0 :              -0.00005207118156
                2p
                   -1 :               0.00026890790840
                   +0 :              -0.00036575954448
                   +1 :               0.00017264433798
                3s
                   +0 :               0.00002217084746
                4s
                   +0 :               0.00016815919933
                3p
                   -1 :              -0.00135236670364
                   +0 :               0.00230738353957
                   +1 :              -0.00071443669433
                4p
                   -1 :               0.00053233387499
                   +0 :              -0.00063062710452
                   +1 :               0.00050496701198
                3d
                   -2 :               0.00013131529934
                   -1 :               0.00031981530041
                   +0 :               0.00021765578605
                   +1 :               0.00026931243728
                   +2 :               0.00041692700771
              5 vec=   -10.373550     -2.752923      5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00038827155913
                2p
                   -1 :              -0.00020265629279
                   +0 :               0.00015045084526
                   +1 :              -0.00016679064015
                3s
                   +0 :              -0.00071013972539
                4s
                   +0 :               0.00040109614473
                3p
                   -1 :               0.00055690646871
                   +0 :               0.00003159820561
                   +1 :               0.00086239791039
                4p
                   -1 :              -0.00023378920817
                   +0 :               0.00011502520281
                   +1 :              -0.00023446933209
                3d
                   -2 :              -0.00003129921164
                   -1 :              -0.00005442331759
                   +0 :               0.00025295877284
                   +1 :              -0.00000873899735
                   +2 :              -0.00013111879103
              6 vec=    -2.593388     10.722714      5.671873   |vec|=   12.404532
                2s
                   +0 :               0.00048910368999
                2p
                   -1 :               0.00029627205812
                   +0 :               0.00018739794869
                   +1 :               0.00001101216494
                3s
                   +0 :              -0.00130530177592
                4s
                   +0 :               0.00025710385092
                3p
                   -1 :              -0.00136838476032
                   +0 :              -0.00069534941612
                   +1 :               0.00006200071476
                4p
                   -1 :               0.00018042364991
                   +0 :               0.00013807049271
                   +1 :               0.00010422082865
                3d
                   -2 :               0.00010931080779
                   -1 :              -0.00043544991571
                   +0 :               0.00011063654824
                   +1 :               0.00008498033140
                   +2 :               0.00038166493748
              7 vec=   -10.373550      6.230835      5.671873   |vec|=   13.364281
                2s
                   +0 :              -0.00017936945936
                2p
                   -1 :               0.00001596533652
                   +0 :              -0.00002268534683
                   +1 :               0.00014557892195
                3s
                   +0 :               0.00094597673604
                4s
                   +0 :              -0.00022988667360
                3p
                   -1 :               0.00000494137639
                   +0 :              -0.00002940340523
                   +1 :              -0.00085172507370
                4p
                   -1 :              -0.00000845834924
                   +0 :               0.00006900576032
                   +1 :               0.00019172757438
                3d
                   -2 :               0.00003758514498
                   -1 :              -0.00002556106006
                   +0 :               0.00003127204744
                   +1 :              -0.00005422764492
                   +2 :               0.00019662216998
              8 vec=     5.186775    -11.736681      5.671873   |vec|=   14.029343
                2s
                   +0 :               0.00042145595356
                2p
                   -1 :              -0.00012514925105
                   +0 :               0.00005229557828
                   +1 :               0.00028107427843
                3s
                   +0 :              -0.00104951069115
                4s
                   +0 :               0.00022223446883
                3p
                   -1 :               0.00030703029142
                   +0 :              -0.00022996119376
                   +1 :              -0.00117005962880
                4p
                   -1 :               0.00003786100396
                   +0 :               0.00005646020595
                   +1 :               0.00019864629994
                3d
                   -2 :               0.00023663426772
                   -1 :               0.00008905849733
                   +0 :               0.00010151996969
                   +1 :              -0.00015797072599
                   +2 :              -0.00008720509224
              9 vec=    12.966938      1.738956      5.671873   |vec|=   14.259579
                2s
                   +0 :               0.00000904606950
                2p
                   -1 :              -0.00005636850361
                   +0 :               0.00001531055228
                   +1 :              -0.00004018464147
                3s
                   +0 :              -0.00005161872252
                4s
                   +0 :               0.00009247225845
                3p
                   -1 :               0.00033483274050
                   +0 :              -0.00022258139144
                   +1 :               0.00012248786374
                4p
                   -1 :              -0.00004104899256
                   +0 :               0.00007367359972
                   +1 :               0.00002087698087
                3d
                   -2 :               0.00005425349441
                   -1 :               0.00005506301700
                   +0 :               0.00001764645640
                   +1 :               0.00001573913526
                   +2 :               0.00012538654624
             10 vec=    12.966938     -7.244802      5.671873   |vec|=   15.899647
                2s
                   +0 :               0.00007779059360
                2p
                   -1 :              -0.00000092403168
                   +0 :              -0.00000237867737
                   +1 :               0.00001669056374
                3s
                   +0 :              -0.00018872494131
                4s
                   +0 :               0.00005341002853
                3p
                   -1 :               0.00005242268410
                   +0 :               0.00001095419757
                   +1 :              -0.00001789442873
                4p
                   -1 :              -0.00001420320073
                   +0 :              -0.00002109596658
                   +1 :              -0.00000547289068
                3d
                   -2 :               0.00001882153860
                   -1 :               0.00002879453589
                   +0 :              -0.00002468249941
                   +1 :              -0.00001718289604
                   +2 :               0.00000835129984
             11 vec=   -10.373550    -11.736681      5.671873   |vec|=   16.659243
                2s
                   +0 :              -0.00004692172986
                2p
                   -1 :              -0.00002330066493
                   +0 :              -0.00000003894503
                   +1 :               0.00000983491929
                3s
                   +0 :               0.00024875377609
                4s
                   +0 :              -0.00003486526613
                3p
                   -1 :               0.00013757769350
                   +0 :               0.00008612374489
                   +1 :              -0.00015184930034
                4p
                   -1 :              -0.00004804166477
                   +0 :              -0.00001282371103
                   +1 :               0.00002180105114
                3d
                   -2 :              -0.00002841129824
                   -1 :               0.00002919516004
                   +0 :               0.00000798324156
                   +1 :              -0.00006016776878
                   +2 :               0.00003799596992
             12 vec=     5.186775     15.214593      5.671873   |vec|=   17.045722
                2s
                   +0 :               0.00003177331394
                2p
                   -1 :               0.00004809918239
                   +0 :               0.00000917866701
                   +1 :               0.00000398630260
                3s
                   +0 :               0.00000752426617
                4s
                   +0 :               0.00005474303640
                3p
                   -1 :              -0.00015119368134
                   +0 :               0.00005574150902
                   +1 :              -0.00006936140714
                4p
                   -1 :               0.00006148351179
                   +0 :              -0.00000505431496
                   +1 :               0.00002005617530
                3d
                   -2 :              -0.00003732832176
                   -1 :              -0.00000591631270
                   +0 :               0.00002782847081
                   +1 :              -0.00000973062827
                   +2 :               0.00003318035283
             13 vec=    -2.593388    -16.228560      5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00000328790084
                2p
                   -1 :               0.00002842310718
                   +0 :               0.00000354735051
                   +1 :              -0.00001283825436
                3s
                   +0 :               0.00008105646890
                4s
                   +0 :              -0.00006470566480
                3p
                   -1 :              -0.00021300116172
                   +0 :               0.00004046357343
                   +1 :               0.00007010081082
                4p
                   -1 :               0.00008858461951
                   +0 :              -0.00003091381739
                   +1 :              -0.00000964744948
                3d
                   -2 :              -0.00003442231145
                   -1 :              -0.00002021297253
                   +0 :               0.00002716418028
                   +1 :               0.00000454064847
                   +2 :              -0.00004237623036
             14 vec=    12.966938     10.722714      5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00001073714300
                2p
                   -1 :               0.00000463422866
                   +0 :               0.00000022663605
                   +1 :               0.00002441662244
                3s
                   +0 :              -0.00003374386627
                4s
                   +0 :               0.00003122457398
                3p
                   -1 :              -0.00001669236706
                   +0 :              -0.00002115358938
                   +1 :              -0.00013174537789
                4p
                   -1 :               0.00000096061080
                   +0 :               0.00001361095766
                   +1 :               0.00004636390957
                3d
                   -2 :              -0.00001513530858
                   -1 :              -0.00001455000543
                   +0 :               0.00000278440507
                   +1 :              -0.00001471207963
                   +2 :              -0.00000725676420
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site Al( 12)  npairs=  14
              1 vec=    -2.593388      1.738956     -1.580453   |vec|=    3.499637
                2s
                   +0 :              -0.02249877285903
                2p
                   -1 :              -0.01141311683748
                   +0 :               0.00425558376278
                   +1 :               0.01904660464003
                3s
                   +0 :              -0.03272881499088
                4s
                   +0 :              -0.00939954434462
                3p
                   -1 :              -0.03539578833938
                   +0 :              -0.01448172490772
                   +1 :               0.04662941829388
                4p
                   -1 :              -0.00320713984976
                   +0 :               0.00308805030834
                   +1 :               0.00910503253956
                3d
                   -2 :               0.03426870214981
                   -1 :              -0.00003163284031
                   +0 :               0.03079190382859
                   +1 :              -0.00154682494996
                   +2 :              -0.01542630900292
              2 vec=     5.186775     -2.752923     -1.580453   |vec|=    6.081040
                2s
                   +0 :               0.00176297076766
                2p
                   -1 :              -0.00065191540514
                   +0 :               0.00035516456698
                   +1 :               0.00130195052438
                3s
                   +0 :              -0.00372296558067
                4s
                   +0 :               0.00357190224486
                3p
                   -1 :               0.00505782255797
                   +0 :               0.00141411716000
                   +1 :              -0.00374149231545
                4p
                   -1 :              -0.00145242200921
                   +0 :               0.00049608397210
                   +1 :               0.00151786156553
                3d
                   -2 :               0.00264862083696
                   -1 :              -0.00078323593721
                   +0 :              -0.00016705958353
                   +1 :               0.00149297901555
                   +2 :              -0.00048498915121
              3 vec=    -2.593388     -7.244802     -1.580453   |vec|=    7.855612
                2s
                   +0 :              -0.00017768007597
                2p
                   -1 :               0.00031663837096
                   +0 :              -0.00020700075427
                   +1 :              -0.00070735527786
                3s
                   +0 :               0.00580178252953
                4s
                   +0 :              -0.00090152612264
                3p
                   -1 :              -0.00770376180771
                   +0 :               0.00145734447896
                   +1 :               0.00286741616385
                4p
                   -1 :               0.00082742671943
                   +0 :              -0.00105138892751
                   +1 :              -0.00082685101884
                3d
                   -2 :              -0.00091324745934
                   -1 :               0.00075149992282
                   +0 :              -0.00115724268638
                   +1 :              -0.00031279838925
                   +2 :              -0.00195799802434
              4 vec=     5.186775      6.230835     -1.580453   |vec|=    8.259768
                2s
                   +0 :               0.00048264648239
                2p
                   -1 :               0.00097720060569
                   +0 :               0.00020847835167
                   +1 :               0.00010309519686
                3s
                   +0 :              -0.00205518292699
                4s
                   +0 :               0.00080368698989
                3p
                   -1 :              -0.00445138102398
                   +0 :              -0.00092107029110
                   +1 :               0.00017532079573
                4p
                   -1 :               0.00142906368570
                   +0 :               0.00023883262167
                   +1 :              -0.00004919610535
                3d
                   -2 :              -0.00043077617091
                   -1 :               0.00054718757200
                   +0 :              -0.00002433762763
                   +1 :              -0.00056866286305
                   +2 :               0.00071458425163
              5 vec=   -10.373550     -2.752923     -1.580453   |vec|=   10.848362
                2s
                   +0 :              -0.00011335684518
                2p
                   -1 :              -0.00004635156652
                   +0 :               0.00009492224428
                   +1 :               0.00001275797975
                3s
                   +0 :              -0.00051881376756
                4s
                   +0 :               0.00008702634802
                3p
                   -1 :               0.00078663341611
                   +0 :              -0.00127428088648
                   +1 :               0.00073489067887
                4p
                   -1 :              -0.00018686341155
                   +0 :               0.00016975978356
                   +1 :              -0.00027272159886
                3d
                   -2 :              -0.00015737172906
                   -1 :              -0.00001371020546
                   +0 :              -0.00017227781928
                   +1 :               0.00031645812593
                   +2 :              -0.00000672148945
              6 vec=    -2.593388     10.722714     -1.580453   |vec|=   11.144509
                2s
                   +0 :              -0.00000591707547
                2p
                   -1 :               0.00002875334173
                   +0 :              -0.00000149136957
                   +1 :               0.00004621141098
                3s
                   +0 :              -0.00108413039168
                4s
                   +0 :               0.00034619595221
                3p
                   -1 :              -0.00084815978301
                   +0 :              -0.00057377825827
                   +1 :              -0.00015551210026
                4p
                   -1 :               0.00026027397353
                   +0 :               0.00007555450348
                   +1 :              -0.00000864799188
                3d
                   -2 :              -0.00023280610779
                   -1 :              -0.00023443825338
                   +0 :              -0.00025666092589
                   +1 :              -0.00012636373785
                   +2 :               0.00012088673081
              7 vec=   -10.373550      6.230835     -1.580453   |vec|=   12.203757
                2s
                   +0 :               0.00017223263441
                2p
                   -1 :               0.00012121570550
                   +0 :              -0.00022378576380
                   +1 :              -0.00002711481352
                3s
                   +0 :              -0.00043688343010
                4s
                   +0 :              -0.00003700033095
                3p
                   -1 :              -0.00059105688085
                   +0 :               0.00103334690090
                   +1 :               0.00007858777011
                4p
                   -1 :               0.00004827654185
                   +0 :              -0.00025167855507
                   +1 :               0.00005108567430
                3d
                   -2 :               0.00009762275224
                   -1 :               0.00010800540102
                   +0 :              -0.00006206717751
                   +1 :              -0.00006397528030
                   +2 :               0.00004809155805
              8 vec=     5.186775    -11.736681     -1.580453   |vec|=   12.928656
                2s
                   +0 :               0.00006535122300
                2p
                   -1 :               0.00013499018307
                   +0 :               0.00021339185096
                   +1 :               0.00014673600510
                3s
                   +0 :              -0.00048606945672
                4s
                   +0 :               0.00027782299967
                3p
                   -1 :              -0.00055372735435
                   +0 :              -0.00093517658532
                   +1 :              -0.00075595370847
                4p
                   -1 :               0.00007012743756
                   +0 :               0.00022500261881
                   +1 :               0.00023229620507
                3d
                   -2 :              -0.00007241073303
                   -1 :               0.00017048546926
                   +0 :              -0.00010268879386
                   +1 :              -0.00011793276681
                   +2 :              -0.00030271913330
              9 vec=    12.966938      1.738956     -1.580453   |vec|=   13.178136
                2s
                   +0 :              -0.00022213874410
                2p
                   -1 :              -0.00010448345614
                   +0 :               0.00001122103762
                   +1 :              -0.00011569096464
                3s
                   +0 :               0.00053938845872
                4s
                   +0 :              -0.00025142093492
                3p
                   -1 :               0.00041743931099
                   +0 :               0.00025777183564
                   +1 :               0.00046745759078
                4p
                   -1 :              -0.00013767497602
                   +0 :              -0.00004504800604
                   +1 :              -0.00010721281926
                3d
                   -2 :               0.00007429934231
                   -1 :               0.00002017463406
                   +0 :              -0.00009192257257
                   +1 :              -0.00003739708166
                   +2 :               0.00002661941218
             10 vec=    12.966938     -7.244802     -1.580453   |vec|=   14.937418
                2s
                   +0 :              -0.00004671361816
                2p
                   -1 :              -0.00000856901619
                   +0 :               0.00001827336556
                   +1 :              -0.00000908928183
                3s
                   +0 :               0.00018047679870
                4s
                   +0 :              -0.00008059416999
                3p
                   -1 :               0.00003341969004
                   +0 :               0.00002547555138
                   +1 :               0.00015840088197
                4p
                   -1 :              -0.00001532733221
                   +0 :              -0.00001419883097
                   +1 :              -0.00006873562488
                3d
                   -2 :               0.00002218422050
                   -1 :              -0.00002979328218
                   +0 :              -0.00005737771400
                   +1 :               0.00004759114031
                   +2 :               0.00004933471853
             11 vec=   -10.373550    -11.736681     -1.580453   |vec|=   15.743508
                2s
                   +0 :               0.00001242532424
                2p
                   -1 :              -0.00001981019192
                   +0 :              -0.00000943115792
                   +1 :               0.00002820853427
                3s
                   +0 :              -0.00007291319383
                4s
                   +0 :               0.00003704242908
                3p
                   -1 :               0.00011882707685
                   +0 :              -0.00006454559461
                   +1 :              -0.00014020623203
                4p
                   -1 :              -0.00005395466948
                   +0 :               0.00004898491228
                   +1 :               0.00004891627914
                3d
                   -2 :               0.00005647455751
                   -1 :               0.00001706449830
                   +0 :              -0.00000501832242
                   +1 :               0.00000077670969
                   +2 :              -0.00001502754911
             12 vec=     5.186775     15.214593     -1.580453   |vec|=   16.151913
                2s
                   +0 :               0.00001005620890
                2p
                   -1 :              -0.00000040094379
                   +0 :               0.00001141035976
                   +1 :              -0.00000728114043
                3s
                   +0 :              -0.00008516864314
                4s
                   +0 :               0.00002284878449
                3p
                   -1 :              -0.00004424553106
                   +0 :              -0.00008575429827
                   +1 :               0.00006760699491
                4p
                   -1 :               0.00001064350564
                   +0 :               0.00000243008891
                   +1 :              -0.00001371372530
                3d
                   -2 :               0.00000249140720
                   -1 :              -0.00001789393502
                   +0 :              -0.00003534148542
                   +1 :              -0.00000412859982
                   +2 :               0.00002080732036
             13 vec=    -2.593388    -16.228560     -1.580453   |vec|=   16.510289
                2s
                   +0 :              -0.00002420203650
                2p
                   -1 :               0.00002436224255
                   +0 :               0.00000194962766
                   +1 :              -0.00000848400783
                3s
                   +0 :               0.00019243675648
                4s
                   +0 :              -0.00012209627733
                3p
                   -1 :              -0.00022486144950
                   +0 :               0.00000076863665
                   +1 :              -0.00000921771137
                4p
                   -1 :               0.00009191440089
                   +0 :              -0.00000206291319
                   +1 :               0.00002861220568
                3d
                   -2 :              -0.00000070218752
                   -1 :               0.00000184745327
                   +0 :               0.00002014465303
                   +1 :               0.00001538720902
                   +2 :              -0.00003437951136
             14 vec=    12.966938     10.722714     -1.580453   |vec|=   16.900175
                2s
                   +0 :               0.00002267204143
                2p
                   -1 :              -0.00002520078385
                   +0 :               0.00001247475876
                   +1 :              -0.00000889976775
                3s
                   +0 :              -0.00013731794832
                4s
                   +0 :               0.00005391405165
                3p
                   -1 :               0.00011685603740
                   +0 :              -0.00005286399736
                   +1 :               0.00000610645051
                4p
                   -1 :              -0.00002864581952
                   +0 :               0.00000766178733
                   +1 :               0.00001139042597
                3d
                   -2 :               0.00003684042501
                   -1 :              -0.00002550526103
                   +0 :              -0.00001959244542
                   +1 :               0.00001276789653
                   +2 :               0.00000559035087
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 13)  npairs=  15
              1 vec=     4.977229      0.362644     -8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00026208412213
                2s
                   +0 :              -0.00289781948185
                3s
                   +0 :               0.00015285026340
                2p
                   -1 :              -0.00465159780813
                   +0 :               0.00397024232883
                   +1 :              -0.00056240443115
                3p
                   -1 :               0.00167632013210
                   +0 :              -0.00046875426996
                   +1 :              -0.00071619139096
                3d
                   -2 :              -0.00006159418624
                   -1 :              -0.00000619372469
                   +0 :              -0.00003748122685
                   +1 :               0.00016243821290
                   +2 :               0.00008179617997
              2 vec=    -2.802933     -4.129235     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00035695320345
                2s
                   +0 :              -0.00273162214403
                3s
                   +0 :               0.00038702776126
                2p
                   -1 :               0.00148805235715
                   +0 :               0.00343243102149
                   +1 :               0.00004020979975
                3p
                   -1 :               0.00113745483482
                   +0 :              -0.00051673943848
                   +1 :              -0.00079316119843
                3d
                   -2 :               0.00006086258614
                   -1 :              -0.00029922136659
                   +0 :              -0.00012016321139
                   +1 :               0.00012844716079
                   +2 :               0.00017506996174
              3 vec=    -2.802933      4.854523     -8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00017143754789
                2s
                   +0 :              -0.00165206867003
                3s
                   +0 :              -0.00019035291159
                2p
                   -1 :              -0.00120208461887
                   +0 :               0.00212609608693
                   +1 :               0.00320813140930
                3p
                   -1 :               0.00000973933521
                   +0 :               0.00071402820909
                   +1 :              -0.00066639713849
                3d
                   -2 :              -0.00001782696706
                   -1 :              -0.00008509487624
                   +0 :              -0.00011306074197
                   +1 :              -0.00014418859042
                   +2 :              -0.00007131935147
              4 vec=     4.977229     -8.621114     -8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00012578091598
                2s
                   +0 :              -0.00106069479331
                3s
                   +0 :               0.00045371107802
                2p
                   -1 :               0.00048032835273
                   +0 :              -0.00023741689612
                   +1 :              -0.00027862286254
                3p
                   -1 :              -0.00052690109919
                   +0 :              -0.00004498931825
                   +1 :              -0.00003351470239
                3d
                   -2 :              -0.00000934808381
                   -1 :               0.00007866155644
                   +0 :              -0.00000214255457
                   +1 :              -0.00002009257925
                   +2 :              -0.00006372564688
              5 vec=     4.977229      9.346402     -8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00002153030874
                2s
                   +0 :              -0.00028336129213
                3s
                   +0 :               0.00003395603247
                2p
                   -1 :              -0.00010412295396
                   +0 :              -0.00030982212877
                   +1 :               0.00012865918890
                3p
                   -1 :              -0.00000990327157
                   +0 :               0.00022835544605
                   +1 :              -0.00010159911690
                3d
                   -2 :              -0.00000339146194
                   -1 :              -0.00000568253994
                   +0 :              -0.00003865423454
                   +1 :              -0.00000295978273
                   +2 :              -0.00001814291162
              6 vec=   -10.583096      0.362644     -8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00004898628823
                2s
                   +0 :              -0.00062897791593
                3s
                   +0 :               0.00007557098361
                2p
                   -1 :               0.00010553839018
                   +0 :              -0.00000533317356
                   +1 :               0.00031102735440
                3p
                   -1 :              -0.00000221496807
                   +0 :              -0.00004758977732
                   +1 :               0.00005741386763
                3d
                   -2 :              -0.00000592324374
                   -1 :              -0.00002738378032
                   +0 :               0.00001050921345
                   +1 :               0.00001270893000
                   +2 :              -0.00001096059513
              7 vec=    12.757392     -4.129235     -8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00001249598640
                2s
                   +0 :              -0.00013152914333
                3s
                   +0 :               0.00002888938388
                2p
                   -1 :               0.00004597846516
                   +0 :               0.00012473809335
                   +1 :              -0.00021335282795
                3p
                   -1 :              -0.00003710331821
                   +0 :              -0.00007401673424
                   +1 :               0.00013024729490
                3d
                   -2 :              -0.00000625659658
                   -1 :              -0.00000429166202
                   +0 :               0.00000330353024
                   +1 :               0.00000010884951
                   +2 :               0.00000508087506
              8 vec=    -2.802933    -13.112993     -8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00003169872465
                2s
                   +0 :               0.00020077836753
                3s
                   +0 :              -0.00014894385517
                2p
                   -1 :              -0.00027584043599
                   +0 :              -0.00011981686670
                   +1 :               0.00007982503377
                3p
                   -1 :               0.00028485682129
                   +0 :               0.00013765240885
                   +1 :              -0.00001354412963
                3d
                   -2 :              -0.00000829681745
                   -1 :              -0.00001506949443
                   +0 :              -0.00000618016924
                   +1 :              -0.00000437010720
                   +2 :              -0.00000383837652
              9 vec=    12.757392      4.854523     -8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00000491062554
                2s
                   +0 :              -0.00001413384271
                3s
                   +0 :              -0.00003733907352
                2p
                   -1 :               0.00002870370944
                   +0 :               0.00000078045153
                   +1 :              -0.00008902574444
                3p
                   -1 :               0.00001123036445
                   +0 :              -0.00000358628632
                   +1 :               0.00000628058135
                3d
                   -2 :               0.00000000792811
                   -1 :              -0.00000185007184
                   +0 :              -0.00000833035509
                   +1 :              -0.00000312273795
                   +2 :              -0.00000027820845
             10 vec=   -10.583096     -8.621114     -8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00001092225850
                2s
                   +0 :              -0.00008993662821
                3s
                   +0 :               0.00001725110798
                2p
                   -1 :              -0.00003124577850
                   +0 :              -0.00001849729885
                   +1 :               0.00011769799836
                3p
                   -1 :               0.00006508332222
                   +0 :               0.00002439706101
                   +1 :              -0.00008770834134
                3d
                   -2 :              -0.00000304746859
                   -1 :               0.00000141338183
                   +0 :              -0.00000111838126
                   +1 :              -0.00000538855169
                   +2 :               0.00000592478140
             11 vec=    -2.802933     13.838281     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00000898109372
                2s
                   +0 :              -0.00006631620606
                3s
                   +0 :              -0.00000542149561
                2p
                   -1 :              -0.00011105040063
                   +0 :              -0.00003014059549
                   +1 :               0.00002509504870
                3p
                   -1 :               0.00005346991510
                   +0 :               0.00003910915941
                   +1 :               0.00000188499766
                3d
                   -2 :               0.00000508756003
                   -1 :               0.00000162070419
                   +0 :               0.00000091303047
                   +1 :               0.00000247413630
                   +2 :               0.00000065226705
             12 vec=   -10.583096      9.346402     -8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00001035087817
                2s
                   +0 :               0.00006045686791
                3s
                   +0 :              -0.00003696110494
                2p
                   -1 :              -0.00003431779594
                   +0 :              -0.00010364096901
                   +1 :               0.00009397810643
                3p
                   -1 :              -0.00003793699738
                   +0 :               0.00012209997667
                   +1 :              -0.00002522846659
                3d
                   -2 :               0.00000141345358
                   -1 :               0.00000769969674
                   +0 :              -0.00000634463335
                   +1 :               0.00000135559810
                   +2 :               0.00000383590932
             13 vec=     4.977229      0.362644     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00001424298098
                2s
                   +0 :               0.00013623937061
                3s
                   +0 :              -0.00000457625488
                2p
                   -1 :              -0.00004494692530
                   +0 :               0.00011728542480
                   +1 :              -0.00015853210275
                3p
                   -1 :              -0.00000410489374
                   +0 :              -0.00003222457387
                   +1 :               0.00008342213358
                3d
                   -2 :              -0.00000874828823
                   -1 :              -0.00000816351384
                   +0 :              -0.00000061319994
                   +1 :               0.00000172651542
                   +2 :               0.00000032827548
             14 vec=    -2.802933     -4.129235     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00003920064755
                2s
                   +0 :               0.00028817089832
                3s
                   +0 :              -0.00008635294655
                2p
                   -1 :              -0.00012366588988
                   +0 :               0.00023502104476
                   +1 :              -0.00016570001240
                3p
                   -1 :               0.00009620492614
                   +0 :              -0.00013546518923
                   +1 :               0.00009610086248
                3d
                   -2 :              -0.00000105059297
                   -1 :               0.00000317488808
                   +0 :              -0.00000326377716
                   +1 :               0.00000533733429
                   +2 :               0.00000722454465
             15 vec=    -2.802933      4.854523     16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00001921498572
                2s
                   +0 :               0.00020491934953
                3s
                   +0 :              -0.00002354589156
                2p
                   -1 :              -0.00001280251630
                   +0 :               0.00014601416690
                   +1 :               0.00009584163027
                3p
                   -1 :               0.00003524602544
                   +0 :               0.00000120870851
                   +1 :              -0.00001117712105
                3d
                   -2 :               0.00000332839043
                   -1 :               0.00000678960539
                   +0 :               0.00000399115091
                   +1 :               0.00000133082161
                   +2 :              -0.00000172409555
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 14)  npairs=  14
              1 vec=     0.209546      0.362644     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00039781878098
                2s
                   +0 :              -0.00053186068718
                3s
                   +0 :               0.00142583360171
                2p
                   -1 :               0.00089074783325
                   +0 :               0.00364731485560
                   +1 :              -0.00203255518409
                3p
                   -1 :              -0.00047069455569
                   +0 :              -0.00354665870033
                   +1 :               0.00116563113216
                3d
                   -2 :              -0.00014016958546
                   -1 :              -0.00005302502758
                   +0 :               0.00075728241196
                   +1 :               0.00014880779342
                   +2 :              -0.00007162029025
              2 vec=    -7.570617     -4.129235     -8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00003658050216
                2s
                   +0 :              -0.00000466474560
                3s
                   +0 :              -0.00013452573114
                2p
                   -1 :               0.00057516051583
                   +0 :               0.00035675444230
                   +1 :               0.00051230566092
                3p
                   -1 :              -0.00033495420955
                   +0 :              -0.00037112930900
                   +1 :              -0.00016715013827
                3d
                   -2 :               0.00002736373585
                   -1 :               0.00005193891746
                   +0 :               0.00003683907035
                   +1 :              -0.00000401041491
                   +2 :              -0.00003296615339
              3 vec=     0.209546     -8.621114     -8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00026163676293
                2s
                   +0 :               0.00112217916227
                3s
                   +0 :              -0.00091330161127
                2p
                   -1 :               0.00124894767779
                   +0 :              -0.00110989135968
                   +1 :               0.00039112072784
                3p
                   -1 :              -0.00068451033375
                   +0 :               0.00085401884428
                   +1 :              -0.00043437792210
                3d
                   -2 :               0.00001266796638
                   -1 :               0.00003164617662
                   +0 :              -0.00006085855158
                   +1 :              -0.00003474436834
                   +2 :              -0.00004488216399
              4 vec=    -7.570617      4.854523     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00002182952902
                2s
                   +0 :              -0.00036790644450
                3s
                   +0 :              -0.00018634037964
                2p
                   -1 :              -0.00026912389281
                   +0 :              -0.00037095572548
                   +1 :              -0.00021705104816
                3p
                   -1 :              -0.00002753494884
                   +0 :               0.00001322038804
                   +1 :               0.00043818287133
                3d
                   -2 :               0.00000920241988
                   -1 :               0.00000636561061
                   +0 :               0.00002888242295
                   +1 :              -0.00000130267401
                   +2 :              -0.00002615835340
              5 vec=     7.989708     -4.129235     -8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00006866168780
                2s
                   +0 :              -0.00050875102489
                3s
                   +0 :               0.00029118285819
                2p
                   -1 :               0.00011648637445
                   +0 :              -0.00022566339417
                   +1 :              -0.00081660060362
                3p
                   -1 :               0.00006397589145
                   +0 :               0.00009764843217
                   +1 :               0.00041261180222
                3d
                   -2 :              -0.00003696833311
                   -1 :               0.00000257932767
                   +0 :              -0.00002649532473
                   +1 :              -0.00002002096331
                   +2 :               0.00001080602630
              6 vec=     0.209546      9.346402     -8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00002421216827
                2s
                   +0 :              -0.00025277654644
                3s
                   +0 :               0.00006842559897
                2p
                   -1 :              -0.00079123460038
                   +0 :              -0.00038959105868
                   +1 :               0.00034528489096
                3p
                   -1 :               0.00042438586685
                   +0 :               0.00044635085571
                   +1 :              -0.00032397973980
                3d
                   -2 :               0.00000569386979
                   -1 :               0.00000812815132
                   +0 :              -0.00006306555214
                   +1 :              -0.00001744910215
                   +2 :              -0.00003599608671
              7 vec=     7.989708      4.854523     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00001943514646
                2s
                   +0 :              -0.00057317118557
                3s
                   +0 :               0.00006530950578
                2p
                   -1 :              -0.00035242513314
                   +0 :               0.00055334411452
                   +1 :              -0.00082218739588
                3p
                   -1 :               0.00004296927280
                   +0 :              -0.00050863961367
                   +1 :               0.00036946626048
                3d
                   -2 :              -0.00002492344729
                   -1 :              -0.00000702537832
                   +0 :               0.00001018743633
                   +1 :              -0.00000877338684
                   +2 :               0.00002060658716
              8 vec=     0.209546      0.362644     16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000252489096
                2s
                   +0 :               0.00000722153252
                3s
                   +0 :               0.00003485732359
                2p
                   -1 :              -0.00004662997822
                   +0 :               0.00001753194990
                   +1 :               0.00008992401434
                3p
                   -1 :               0.00005809690127
                   +0 :               0.00002490483549
                   +1 :              -0.00010517747603
                3d
                   -2 :              -0.00000869232463
                   -1 :               0.00000436425120
                   +0 :               0.00000651229996
                   +1 :              -0.00000360325288
                   +2 :              -0.00000282254256
              9 vec=    -7.570617    -13.112993     -8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00000413927237
                2s
                   +0 :               0.00003069074369
                3s
                   +0 :              -0.00003586405534
                2p
                   -1 :               0.00009240818517
                   +0 :               0.00008482133974
                   +1 :              -0.00000139885125
                3p
                   -1 :              -0.00005458554770
                   +0 :              -0.00004351187366
                   +1 :               0.00001684189390
                3d
                   -2 :              -0.00000121071011
                   -1 :               0.00000171140505
                   +0 :               0.00000647141726
                   +1 :              -0.00000369913583
                   +2 :              -0.00000068714460
             10 vec=   -15.350780      0.362644     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000805612318
                2s
                   +0 :              -0.00007829190587
                3s
                   +0 :               0.00000974954437
                2p
                   -1 :              -0.00001416690880
                   +0 :               0.00005190067568
                   +1 :               0.00011657565541
                3p
                   -1 :              -0.00001458145741
                   +0 :               0.00000841371719
                   +1 :              -0.00004276714906
                3d
                   -2 :               0.00000649348131
                   -1 :               0.00000257688973
                   +0 :              -0.00000202591986
                   +1 :              -0.00000443670229
                   +2 :               0.00000150743132
             11 vec=     7.989708    -13.112993     -8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000565850749
                2s
                   +0 :              -0.00007487999380
                3s
                   +0 :               0.00000324969256
                2p
                   -1 :               0.00004689513326
                   +0 :               0.00005952791981
                   +1 :               0.00006620108019
                3p
                   -1 :               0.00000713245295
                   +0 :              -0.00000878303247
                   +1 :              -0.00006393266830
                3d
                   -2 :               0.00000446711695
                   -1 :              -0.00000575918172
                   +0 :               0.00000555863359
                   +1 :               0.00000363319929
                   +2 :               0.00000045232974
             12 vec=    -7.570617     13.838281     -8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000225876939
                2s
                   +0 :              -0.00000706648454
                3s
                   +0 :              -0.00002554002079
                2p
                   -1 :              -0.00002013847723
                   +0 :               0.00003962700137
                   +1 :              -0.00000233514400
                3p
                   -1 :              -0.00001257668552
                   +0 :               0.00000815214193
                   +1 :               0.00004151665880
                3d
                   -2 :               0.00000478183265
                   -1 :               0.00000391068535
                   +0 :              -0.00000400008131
                   +1 :              -0.00000693269323
                   +2 :              -0.00000439472988
             13 vec=    15.769871      0.362644     -8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000980948942
                2s
                   +0 :              -0.00006547741270
                3s
                   +0 :               0.00001365811520
                2p
                   -1 :              -0.00001634738418
                   +0 :               0.00005088824244
                   +1 :              -0.00003853689162
                3p
                   -1 :              -0.00001493255580
                   +0 :               0.00002049569987
                   +1 :              -0.00000801312312
                3d
                   -2 :               0.00000114980632
                   -1 :               0.00000125635709
                   +0 :              -0.00000181375901
                   +1 :              -0.00000138608548
                   +2 :               0.00000111229884
             14 vec=     7.989708     13.838281     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000246078484
                2s
                   +0 :              -0.00000621426071
                3s
                   +0 :              -0.00000955654619
                2p
                   -1 :              -0.00000309464807
                   +0 :               0.00006192632129
                   +1 :              -0.00003961191898
                3p
                   -1 :              -0.00002097935608
                   +0 :              -0.00004016223801
                   +1 :               0.00001005483342
                3d
                   -2 :               0.00000081651097
                   -1 :               0.00000005179836
                   +0 :               0.00000191048594
                   +1 :              -0.00000233955324
                   +2 :              -0.00000254332554
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 15)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00016063166327
                2s
                   +0 :              -0.00131590401644
                3s
                   +0 :              -0.00013482883060
                2p
                   -1 :               0.00141771379512
                   +0 :               0.00046515296328
                   +1 :              -0.00167193357029
                3p
                   -1 :              -0.00141744735103
                   +0 :               0.00108665616263
                   +1 :              -0.00014803218415
                3d
                   -2 :              -0.00001338136972
                   -1 :               0.00012211363337
                   +0 :              -0.00005861263082
                   +1 :               0.00022914846848
                   +2 :              -0.00006203217698
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00054099779890
                2s
                   +0 :              -0.00519180906817
                3s
                   +0 :               0.00083627870859
                2p
                   -1 :              -0.00271870101320
                   +0 :               0.00768914604242
                   +1 :               0.00345470155747
                3p
                   -1 :               0.00066573378802
                   +0 :              -0.00135207857406
                   +1 :              -0.00039859314225
                3d
                   -2 :               0.00020194273008
                   -1 :               0.00017232482895
                   +0 :              -0.00015234683366
                   +1 :              -0.00025883856780
                   +2 :              -0.00004339356948
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00023252016588
                2s
                   +0 :              -0.00226164796279
                3s
                   +0 :               0.00036643495489
                2p
                   -1 :               0.00287830971545
                   +0 :               0.00304400648934
                   +1 :               0.00111519259717
                3p
                   -1 :              -0.00004635887546
                   +0 :              -0.00066158179058
                   +1 :               0.00000738272645
                3d
                   -2 :              -0.00006790209709
                   -1 :              -0.00012311426830
                   +0 :               0.00001652476998
                   +1 :              -0.00007530820145
                   +2 :               0.00006258543739
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00000119702238
                2s
                   +0 :              -0.00027795465212
                3s
                   +0 :              -0.00000841856036
                2p
                   -1 :              -0.00014754290050
                   +0 :              -0.00037717915359
                   +1 :              -0.00031987974140
                3p
                   -1 :              -0.00000526202503
                   +0 :               0.00015626132271
                   +1 :               0.00024020014302
                3d
                   -2 :               0.00002055821785
                   -1 :              -0.00002036012968
                   +0 :               0.00002785765012
                   +1 :              -0.00001526648869
                   +2 :               0.00001061959387
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000841041359
                2s
                   +0 :              -0.00012173360358
                3s
                   +0 :              -0.00007158486878
                2p
                   -1 :               0.00015057502486
                   +0 :              -0.00040964111664
                   +1 :              -0.00014047262700
                3p
                   -1 :              -0.00002485816056
                   +0 :               0.00034044471755
                   +1 :               0.00010511863420
                3d
                   -2 :               0.00000090818025
                   -1 :               0.00002473664746
                   +0 :              -0.00002981177716
                   +1 :               0.00000400830522
                   +2 :               0.00000859717692
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000280944082
                2s
                   +0 :              -0.00019113139055
                3s
                   +0 :              -0.00001221658413
                2p
                   -1 :               0.00047031355478
                   +0 :              -0.00043792582545
                   +1 :              -0.00015524667010
                3p
                   -1 :              -0.00042484053248
                   +0 :               0.00018847080001
                   +1 :               0.00034578154852
                3d
                   -2 :               0.00002782353442
                   -1 :               0.00002436305692
                   +0 :              -0.00003297643625
                   +1 :              -0.00000759759930
                   +2 :              -0.00002145929229
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000721937980
                2s
                   +0 :              -0.00008434499599
                3s
                   +0 :               0.00001741012029
                2p
                   -1 :              -0.00018065901991
                   +0 :               0.00001114422550
                   +1 :              -0.00014847573125
                3p
                   -1 :               0.00013123788843
                   +0 :               0.00000739729574
                   +1 :               0.00011102391374
                3d
                   -2 :               0.00000639891643
                   -1 :               0.00000428808398
                   +0 :              -0.00000389018104
                   +1 :              -0.00000272579417
                   +2 :              -0.00000352671652
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002398871491
                2s
                   +0 :              -0.00022626953541
                3s
                   +0 :               0.00007738839023
                2p
                   -1 :              -0.00012376586697
                   +0 :               0.00008680656777
                   +1 :              -0.00016477168857
                3p
                   -1 :               0.00002873808922
                   +0 :              -0.00006460922017
                   +1 :               0.00011521264132
                3d
                   -2 :               0.00001016157515
                   -1 :              -0.00001074023348
                   +0 :               0.00000271094941
                   +1 :              -0.00000946052779
                   +2 :               0.00001392826598
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000261592256
                2s
                   +0 :              -0.00002879435307
                3s
                   +0 :              -0.00001590022503
                2p
                   -1 :              -0.00003112302716
                   +0 :              -0.00009470695268
                   +1 :               0.00013752824851
                3p
                   -1 :               0.00001316705924
                   +0 :               0.00005680951399
                   +1 :              -0.00007060140168
                3d
                   -2 :               0.00000227620078
                   -1 :              -0.00000299049387
                   +0 :              -0.00001117556459
                   +1 :              -0.00000295910948
                   +2 :               0.00000076684417
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001127737696
                2s
                   +0 :              -0.00008986241033
                3s
                   +0 :               0.00001335387653
                2p
                   -1 :               0.00011347500239
                   +0 :              -0.00001611532744
                   +1 :               0.00006660924145
                3p
                   -1 :              -0.00008467643526
                   +0 :              -0.00000380220751
                   +1 :              -0.00000638118219
                3d
                   -2 :               0.00000165062415
                   -1 :               0.00000193035622
                   +0 :               0.00000153996068
                   +1 :               0.00000360890633
                   +2 :              -0.00000368108058
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000929812380
                2s
                   +0 :               0.00000760904368
                3s
                   +0 :              -0.00002735016658
                2p
                   -1 :               0.00003601535471
                   +0 :               0.00012515127094
                   +1 :               0.00003618638372
                3p
                   -1 :               0.00001039062386
                   +0 :              -0.00007736539436
                   +1 :              -0.00005887959052
                3d
                   -2 :              -0.00000336362527
                   -1 :               0.00000733932224
                   +0 :               0.00000063334975
                   +1 :              -0.00000096712054
                   +2 :               0.00000007674046
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00003047946555
                2s
                   +0 :               0.00017435170348
                3s
                   +0 :              -0.00011429634602
                2p
                   -1 :              -0.00016533072203
                   +0 :               0.00002795207183
                   +1 :              -0.00002392758077
                3p
                   -1 :               0.00022421855127
                   +0 :               0.00002156525209
                   +1 :              -0.00003402163945
                3d
                   -2 :               0.00001557254156
                   -1 :              -0.00000792531834
                   +0 :               0.00002754639035
                   +1 :               0.00001087394867
                   +2 :               0.00000799589240
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000731179054
                2s
                   +0 :               0.00007467037148
                3s
                   +0 :               0.00000167674209
                2p
                   -1 :              -0.00000090396897
                   +0 :               0.00002066254684
                   +1 :              -0.00003553704573
                3p
                   -1 :               0.00000343150649
                   +0 :               0.00004374344547
                   +1 :              -0.00000163691271
                3d
                   -2 :               0.00000146091986
                   -1 :              -0.00001051767958
                   +0 :              -0.00000323947414
                   +1 :              -0.00000675380931
                   +2 :               0.00000931587552
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00004140904796
                2s
                   +0 :               0.00032807109246
                3s
                   +0 :              -0.00010012078245
                2p
                   -1 :              -0.00000367666252
                   +0 :               0.00014805763761
                   +1 :               0.00009351471871
                3p
                   -1 :              -0.00002264467331
                   +0 :              -0.00004321756842
                   +1 :              -0.00008471679578
                3d
                   -2 :               0.00000441298876
                   -1 :              -0.00000466610245
                   +0 :              -0.00000680818876
                   +1 :              -0.00000381098793
                   +2 :               0.00000234133657
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000061467605
                2s
                   +0 :               0.00007084779291
                3s
                   +0 :               0.00003919592324
                2p
                   -1 :               0.00012086598859
                   +0 :               0.00007862856830
                   +1 :               0.00002480376649
                3p
                   -1 :              -0.00010605958954
                   +0 :               0.00003536266020
                   +1 :               0.00002004863336
                3d
                   -2 :              -0.00000525234110
                   -1 :              -0.00000125443167
                   +0 :               0.00000163302938
                   +1 :               0.00000743031657
                   +2 :              -0.00000149662318
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 16)  npairs=  14
              1 vec=     0.209546      3.115268      4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00243036553476
                2s
                   +0 :               0.05275161968340
                3s
                   +0 :              -0.00371776647885
                2p
                   -1 :               0.02452239625522
                   +0 :               0.02509518735249
                   +1 :               0.00587407828920
                3p
                   -1 :              -0.00134666693755
                   +0 :              -0.00028326155893
                   +1 :              -0.00322733778503
                3d
                   -2 :               0.00062328338314
                   -1 :               0.00289261808187
                   +0 :               0.00098338971910
                   +1 :               0.00079584761578
                   +2 :              -0.00119159437803
              2 vec=     0.209546     -5.868490      4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00227087128775
                2s
                   +0 :               0.01624299759078
                3s
                   +0 :              -0.00760626944325
                2p
                   -1 :              -0.01521028743968
                   +0 :               0.00582018254644
                   +1 :               0.00126897138422
                3p
                   -1 :               0.01086375473460
                   +0 :              -0.00451188010382
                   +1 :              -0.00062140591216
                3d
                   -2 :               0.00004839442714
                   -1 :               0.00052128610427
                   +0 :               0.00035943400909
                   +1 :              -0.00002525386711
                   +2 :               0.00075901361714
              3 vec=    -7.570617     -1.376611      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00009226696895
                2s
                   +0 :               0.00081609270361
                3s
                   +0 :               0.00005994363346
                2p
                   -1 :               0.00135201874686
                   +0 :              -0.00268065087081
                   +1 :              -0.00525674723307
                3p
                   -1 :              -0.00061674419440
                   +0 :               0.00052714404283
                   +1 :               0.00196285996199
                3d
                   -2 :              -0.00000716790273
                   -1 :               0.00004580099200
                   +0 :              -0.00012593421876
                   +1 :               0.00013548078048
                   +2 :               0.00007665548162
              4 vec=     7.989708     -1.376611      4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00015664009758
                2s
                   +0 :               0.00106071241532
                3s
                   +0 :              -0.00014730589125
                2p
                   -1 :               0.00113188292214
                   +0 :              -0.00189487749682
                   +1 :               0.00198734738682
                3p
                   -1 :              -0.00071105941291
                   +0 :               0.00053689047007
                   +1 :               0.00054999124972
                3d
                   -2 :              -0.00008612912596
                   -1 :               0.00001731610319
                   +0 :              -0.00014496691220
                   +1 :              -0.00003253609443
                   +2 :               0.00019281435369
              5 vec=    -7.570617      7.607147      4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00004780562370
                2s
                   +0 :               0.00061002035339
                3s
                   +0 :              -0.00019241520925
                2p
                   -1 :               0.00084806829941
                   +0 :              -0.00018046796044
                   +1 :               0.00010444860839
                3p
                   -1 :              -0.00067892626559
                   +0 :               0.00011409116959
                   +1 :              -0.00026990141988
                3d
                   -2 :               0.00005322457136
                   -1 :              -0.00003672734921
                   +0 :               0.00004628751188
                   +1 :              -0.00000420753516
                   +2 :               0.00004859596738
              6 vec=     7.989708      7.607147      4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00007572530246
                2s
                   +0 :               0.00048929916626
                3s
                   +0 :              -0.00025458070722
                2p
                   -1 :               0.00003025671911
                   +0 :              -0.00028205258071
                   +1 :               0.00095044160911
                3p
                   -1 :              -0.00011727123370
                   +0 :               0.00013854942739
                   +1 :              -0.00086669127331
                3d
                   -2 :              -0.00006596979559
                   -1 :              -0.00000023701220
                   +0 :               0.00003242924982
                   +1 :              -0.00001048459402
                   +2 :               0.00000745797785
              7 vec=     0.209546     12.099026      4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00000696438571
                2s
                   +0 :               0.00010956710118
                3s
                   +0 :               0.00002708538177
                2p
                   -1 :              -0.00013911916145
                   +0 :               0.00030360032450
                   +1 :              -0.00007792744249
                3p
                   -1 :               0.00020779418068
                   +0 :              -0.00015560719647
                   +1 :              -0.00000024627512
                3d
                   -2 :               0.00001675389599
                   -1 :              -0.00002391053562
                   +0 :              -0.00000601133062
                   +1 :               0.00002399731894
                   +2 :               0.00002917597617
              8 vec=    -7.570617    -10.360369      4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00001424854903
                2s
                   +0 :               0.00033341955719
                3s
                   +0 :               0.00005810033054
                2p
                   -1 :              -0.00006715428787
                   +0 :               0.00010484200755
                   +1 :              -0.00015470670063
                3p
                   -1 :              -0.00020905393604
                   +0 :              -0.00007225143491
                   +1 :              -0.00003576165907
                3d
                   -2 :               0.00003778767752
                   -1 :               0.00001826572173
                   +0 :              -0.00002566478348
                   +1 :              -0.00000176562719
                   +2 :              -0.00002144738591
              9 vec=     7.989708    -10.360369      4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00000128444107
                2s
                   +0 :               0.00006334731057
                3s
                   +0 :               0.00003663342062
                2p
                   -1 :               0.00003686900957
                   +0 :              -0.00016366428000
                   +1 :               0.00024085044410
                3p
                   -1 :              -0.00006193722053
                   +0 :               0.00011143098270
                   +1 :              -0.00014788270691
                3d
                   -2 :               0.00001406846604
                   -1 :              -0.00000675922354
                   +0 :              -0.00000327794384
                   +1 :              -0.00000252501748
                   +2 :               0.00001013009979
             10 vec=     0.209546    -14.852248      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00003022444074
                2s
                   +0 :               0.00018953382113
                3s
                   +0 :              -0.00004943426724
                2p
                   -1 :              -0.00021249891091
                   +0 :               0.00009296984319
                   +1 :               0.00003371253038
                3p
                   -1 :               0.00009723020690
                   +0 :              -0.00009146715198
                   +1 :              -0.00001195434013
                3d
                   -2 :              -0.00000762097740
                   -1 :               0.00000684113425
                   +0 :              -0.00001217333178
                   +1 :              -0.00000766777893
                   +2 :              -0.00001582308942
             11 vec=   -15.350780      3.115268      4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000796261773
                2s
                   +0 :               0.00005613984967
                3s
                   +0 :               0.00000484297975
                2p
                   -1 :               0.00002775168956
                   +0 :              -0.00002371403158
                   +1 :              -0.00002661338223
                3p
                   -1 :               0.00001384707961
                   +0 :               0.00001194615494
                   +1 :              -0.00002180748760
                3d
                   -2 :              -0.00000512670467
                   -1 :               0.00000652162532
                   +0 :              -0.00001155042497
                   +1 :              -0.00000462930836
                   +2 :              -0.00000685660665
             12 vec=    15.769871      3.115268      4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00001870012005
                2s
                   +0 :              -0.00011826485581
                3s
                   +0 :               0.00005673909042
                2p
                   -1 :               0.00004491477165
                   +0 :               0.00002495009082
                   +1 :              -0.00011771726622
                3p
                   -1 :              -0.00002404581301
                   +0 :              -0.00004720385965
                   +1 :               0.00009078325808
                3d
                   -2 :               0.00000042546763
                   -1 :              -0.00000327429655
                   +0 :              -0.00000598305305
                   +1 :              -0.00000003549198
                   +2 :               0.00000168887509
             13 vec=   -15.350780     -5.868490      4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000207678475
                2s
                   +0 :               0.00001473618936
                3s
                   +0 :              -0.00000067457249
                2p
                   -1 :               0.00004908210864
                   +0 :              -0.00008893571230
                   +1 :              -0.00001870154994
                3p
                   -1 :              -0.00006165443172
                   +0 :               0.00006456678424
                   +1 :               0.00001584569207
                3d
                   -2 :               0.00000275155457
                   -1 :              -0.00000244309392
                   +0 :               0.00000460353962
                   +1 :               0.00000293035267
                   +2 :               0.00000419050482
             14 vec=    15.769871     -5.868490      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000172152704
                2s
                   +0 :               0.00000825762523
                3s
                   +0 :              -0.00000215090093
                2p
                   -1 :              -0.00007169309978
                   +0 :               0.00004096922296
                   +1 :              -0.00001884598523
                3p
                   -1 :               0.00002725965449
                   +0 :              -0.00005983318245
                   +1 :               0.00000590337887
                3d
                   -2 :               0.00000164012324
                   -1 :              -0.00000019003510
                   +0 :              -0.00000179135699
                   +1 :              -0.00000038223288
                   +2 :              -0.00000093805876
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 17)  npairs=  14
              1 vec=    -2.802933     -1.376611      4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00229802726401
                2s
                   +0 :               0.05971517469608
                3s
                   +0 :              -0.00337154652194
                2p
                   -1 :              -0.01432610348621
                   +0 :               0.02377411466952
                   +1 :              -0.02119059551415
                3p
                   -1 :               0.00352196964814
                   +0 :               0.00294300449514
                   +1 :              -0.00309914019836
                3d
                   -2 :               0.00089032011796
                   -1 :              -0.00194728191022
                   +0 :               0.00148936540574
                   +1 :              -0.00251306514051
                   +2 :               0.00059746356391
              2 vec=     4.977229      3.115268      4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00008405641378
                2s
                   +0 :              -0.00146900182119
                3s
                   +0 :               0.00048324814332
                2p
                   -1 :              -0.00072222085809
                   +0 :               0.00159056856909
                   +1 :               0.00038315751013
                3p
                   -1 :               0.00111890962758
                   +0 :              -0.00122412045651
                   +1 :               0.00045253725621
                3d
                   -2 :              -0.00007986430606
                   -1 :              -0.00004617400011
                   +0 :              -0.00032916165151
                   +1 :              -0.00019282124945
                   +2 :              -0.00006017128241
              3 vec=     4.977229     -5.868490      4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00027293245098
                2s
                   +0 :              -0.00283755336359
                3s
                   +0 :               0.00098696727557
                2p
                   -1 :              -0.00069598381038
                   +0 :              -0.00339180468819
                   +1 :              -0.00256689009154
                3p
                   -1 :              -0.00021043708454
                   +0 :               0.00080643396043
                   +1 :               0.00130684296319
                3d
                   -2 :              -0.00003620943644
                   -1 :               0.00020430086664
                   +0 :              -0.00010466045096
                   +1 :               0.00007670897175
                   +2 :              -0.00008473097610
              4 vec=    -2.802933      7.607147      4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00013004749302
                2s
                   +0 :              -0.00061819265021
                3s
                   +0 :               0.00052655385083
                2p
                   -1 :               0.00265117325647
                   +0 :              -0.00109159139921
                   +1 :              -0.00041629081169
                3p
                   -1 :              -0.00182604158288
                   +0 :               0.00004355909600
                   +1 :              -0.00062568759953
                3d
                   -2 :              -0.00011575615906
                   -1 :              -0.00012636233475
                   +0 :               0.00001247039083
                   +1 :               0.00005480796084
                   +2 :               0.00011498437190
              5 vec=    -2.802933    -10.360369      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00025221879344
                2s
                   +0 :              -0.00138238022891
                3s
                   +0 :               0.00081780680434
                2p
                   -1 :               0.00076730254016
                   +0 :               0.00053312120444
                   +1 :               0.00095712640774
                3p
                   -1 :              -0.00079348924094
                   +0 :              -0.00052602016046
                   +1 :              -0.00086100101688
                3d
                   -2 :               0.00007605282643
                   -1 :               0.00002334904142
                   +0 :              -0.00004617415868
                   +1 :               0.00001644324325
                   +2 :               0.00000369747193
              6 vec=   -10.583096      3.115268      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00002274968983
                2s
                   +0 :               0.00004880550839
                3s
                   +0 :               0.00013907680335
                2p
                   -1 :               0.00008273405830
                   +0 :              -0.00013545155450
                   +1 :              -0.00024884919215
                3p
                   -1 :               0.00006954021344
                   +0 :               0.00006490988142
                   +1 :               0.00004913922569
                3d
                   -2 :              -0.00000595262825
                   -1 :               0.00000237054753
                   +0 :              -0.00001881518696
                   +1 :               0.00000398490148
                   +2 :               0.00000823620801
              7 vec=   -10.583096     -5.868490      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00001850422253
                2s
                   +0 :               0.00002840805224
                3s
                   +0 :               0.00013474721818
                2p
                   -1 :              -0.00009494616498
                   +0 :              -0.00004396764372
                   +1 :               0.00040135258314
                3p
                   -1 :              -0.00005305098419
                   +0 :               0.00016728659830
                   +1 :              -0.00032146558359
                3d
                   -2 :              -0.00000314121886
                   -1 :              -0.00003370724291
                   +0 :              -0.00004051583852
                   +1 :               0.00000512042107
                   +2 :               0.00000441476456
              8 vec=    12.757392     -1.376611      4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00007001506950
                2s
                   +0 :               0.00079537544880
                3s
                   +0 :              -0.00017636822543
                2p
                   -1 :               0.00009792507512
                   +0 :              -0.00015519952217
                   +1 :               0.00081620779803
                3p
                   -1 :              -0.00006962775600
                   +0 :               0.00010830647013
                   +1 :              -0.00027027779246
                3d
                   -2 :              -0.00002726934686
                   -1 :               0.00001499031975
                   +0 :              -0.00001892578362
                   +1 :               0.00001702938404
                   +2 :               0.00002151570972
              9 vec=     4.977229     12.099026      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00002156177426
                2s
                   +0 :               0.00013990527427
                3s
                   +0 :               0.00014430975024
                2p
                   -1 :               0.00040517742070
                   +0 :               0.00005224634508
                   +1 :               0.00027221272066
                3p
                   -1 :              -0.00009643618899
                   +0 :              -0.00007376176767
                   +1 :              -0.00005246930909
                3d
                   -2 :               0.00001732166862
                   -1 :              -0.00003053533379
                   +0 :              -0.00000926679330
                   +1 :              -0.00000081319741
                   +2 :              -0.00001174828243
             10 vec=    12.757392      7.607147      4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00004661406015
                2s
                   +0 :              -0.00026938757943
                3s
                   +0 :               0.00013379349628
                2p
                   -1 :              -0.00004121020201
                   +0 :              -0.00001380285757
                   +1 :              -0.00014928494918
                3p
                   -1 :               0.00003257005982
                   +0 :               0.00000231772548
                   +1 :               0.00014125689433
                3d
                   -2 :               0.00000563791744
                   -1 :              -0.00000023789950
                   +0 :               0.00000141939290
                   +1 :               0.00000344772998
                   +2 :               0.00000832394473
             11 vec=     4.977229    -14.852248      4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000672911748
                2s
                   +0 :              -0.00003382777130
                3s
                   +0 :               0.00005976379507
                2p
                   -1 :               0.00014846561149
                   +0 :              -0.00004358523925
                   +1 :              -0.00016122189556
                3p
                   -1 :              -0.00019003487530
                   +0 :               0.00002276497344
                   +1 :               0.00018845540394
                3d
                   -2 :              -0.00002711767270
                   -1 :              -0.00000370787782
                   +0 :              -0.00000710931860
                   +1 :               0.00000403584491
                   +2 :              -0.00000701166297
             12 vec=   -10.583096     12.099026      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00000169082191
                2s
                   +0 :               0.00000312117575
                3s
                   +0 :               0.00001473922015
                2p
                   -1 :              -0.00001082538905
                   +0 :              -0.00005417083009
                   +1 :               0.00015032537156
                3p
                   -1 :               0.00004372738407
                   +0 :               0.00002524475169
                   +1 :              -0.00015238759249
                3d
                   -2 :              -0.00000900434102
                   -1 :               0.00000263402019
                   +0 :              -0.00000966987626
                   +1 :               0.00000252687611
                   +2 :              -0.00000044631547
             13 vec=    12.757392    -10.360369      4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00000938262639
                2s
                   +0 :               0.00006529466167
                3s
                   +0 :              -0.00003124818440
                2p
                   -1 :               0.00001842042026
                   +0 :               0.00004330980040
                   +1 :               0.00005075743369
                3p
                   -1 :              -0.00003736387969
                   +0 :              -0.00005022907537
                   +1 :              -0.00001778393468
                3d
                   -2 :               0.00000201064854
                   -1 :               0.00000003874358
                   +0 :              -0.00000569108873
                   +1 :              -0.00000848324356
                   +2 :              -0.00000577957926
             14 vec=    -2.802933     16.590905      4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000056874442
                2s
                   +0 :               0.00001184932534
                3s
                   +0 :               0.00001316217061
                2p
                   -1 :               0.00004105147067
                   +0 :              -0.00005829710636
                   +1 :               0.00006290053079
                3p
                   -1 :              -0.00000402362728
                   +0 :               0.00003200226820
                   +1 :              -0.00005263180675
                3d
                   -2 :               0.00000109147428
                   -1 :              -0.00000173173163
                   +0 :               0.00000293081429
                   +1 :              -0.00000083242635
                   +2 :              -0.00000458437812
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 18)  npairs=  14
              1 vec=     2.593388     -1.013667      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00263994027123
                2s
                   +0 :               0.08130879192477
                3s
                   +0 :              -0.00476913285080
                2p
                   -1 :              -0.01174117625805
                   +0 :               0.04375903831567
                   +1 :               0.03497718597962
                3p
                   -1 :               0.00200127898887
                   +0 :              -0.00601965119661
                   +1 :              -0.00417078558142
                3d
                   -2 :              -0.00130801007162
                   -1 :              -0.00054668344733
                   +0 :               0.00097359415188
                   +1 :               0.00154672814947
                   +2 :               0.00172609091122
              2 vec=    -5.186775      3.478212      4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00041475268844
                2s
                   +0 :               0.00309871699461
                3s
                   +0 :              -0.00147668011012
                2p
                   -1 :              -0.00004611148288
                   +0 :               0.00188311667130
                   +1 :              -0.00371102146130
                3p
                   -1 :               0.00075713312136
                   +0 :              -0.00075212635644
                   +1 :               0.00218763545913
                3d
                   -2 :               0.00021394705890
                   -1 :               0.00001336092221
                   +0 :               0.00039158642735
                   +1 :               0.00013004890664
                   +2 :              -0.00006655978754
              3 vec=    -5.186775     -5.505546      4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00025103975196
                2s
                   +0 :               0.00111336659455
                3s
                   +0 :              -0.00086097238297
                2p
                   -1 :              -0.00297209913492
                   +0 :              -0.00354953741289
                   +1 :              -0.00111861845597
                3p
                   -1 :               0.00089262765121
                   +0 :               0.00060278769481
                   +1 :               0.00180073039019
                3d
                   -2 :              -0.00003675303309
                   -1 :               0.00018123727722
                   +0 :              -0.00001237074913
                   +1 :               0.00021110542760
                   +2 :              -0.00019671938385
              4 vec=     2.593388      7.970091      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00024689183303
                2s
                   +0 :               0.00174621205496
                3s
                   +0 :              -0.00057514161024
                2p
                   -1 :               0.00237421140535
                   +0 :               0.00038148692745
                   +1 :               0.00102322255476
                3p
                   -1 :              -0.00099424812898
                   +0 :              -0.00121855170089
                   +1 :               0.00010638551603
                3d
                   -2 :               0.00006684128468
                   -1 :              -0.00015348650896
                   +0 :              -0.00001788030339
                   +1 :              -0.00005816118866
                   +2 :              -0.00000453116105
              5 vec=     2.593388     -9.997425      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00018310071711
                2s
                   +0 :              -0.00080677137531
                3s
                   +0 :               0.00041908361801
                2p
                   -1 :              -0.00067525109638
                   +0 :               0.00093651420297
                   +1 :               0.00111644882436
                3p
                   -1 :               0.00050414842043
                   +0 :              -0.00101217842442
                   +1 :              -0.00091701436916
                3d
                   -2 :               0.00010903529051
                   -1 :               0.00002953284476
                   +0 :               0.00008062157563
                   +1 :              -0.00004430428817
                   +2 :               0.00006637586823
              6 vec=    10.373550      3.478212      4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00003962213888
                2s
                   +0 :               0.00021088972881
                3s
                   +0 :              -0.00003996767150
                2p
                   -1 :               0.00050811981728
                   +0 :               0.00009997693038
                   +1 :               0.00029966135640
                3p
                   -1 :              -0.00044587348339
                   +0 :              -0.00017052459373
                   +1 :              -0.00037069153545
                3d
                   -2 :              -0.00000160381318
                   -1 :               0.00001518791228
                   +0 :              -0.00000465087224
                   +1 :               0.00003394629207
                   +2 :              -0.00002061086899
              7 vec=    10.373550     -5.505546      4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00001464666791
                2s
                   +0 :               0.00025999352895
                3s
                   +0 :              -0.00003756684767
                2p
                   -1 :              -0.00054111196935
                   +0 :               0.00008732541802
                   +1 :              -0.00005311504710
                3p
                   -1 :               0.00028192905511
                   +0 :               0.00003929550083
                   +1 :              -0.00004962760555
                3d
                   -2 :              -0.00000355709501
                   -1 :               0.00000439548037
                   +0 :               0.00002084806922
                   +1 :              -0.00001593237306
                   +2 :              -0.00001183020906
              8 vec=   -12.966938     -1.013667      4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00000581241598
                2s
                   +0 :               0.00024875164142
                3s
                   +0 :               0.00018375609912
                2p
                   -1 :               0.00029238761178
                   +0 :               0.00004297597202
                   +1 :              -0.00014572437963
                3p
                   -1 :              -0.00021323859958
                   +0 :               0.00007101134288
                   +1 :              -0.00037241696802
                3d
                   -2 :               0.00001134603155
                   -1 :              -0.00000735862190
                   +0 :              -0.00001175634331
                   +1 :              -0.00002831611431
                   +2 :               0.00005698046724
              9 vec=    -5.186775     12.461970      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00000227083478
                2s
                   +0 :               0.00009309757447
                3s
                   +0 :               0.00006609465328
                2p
                   -1 :              -0.00007325908213
                   +0 :              -0.00005012006558
                   +1 :              -0.00009794795817
                3p
                   -1 :               0.00022201446834
                   +0 :               0.00004081703415
                   +1 :              -0.00000471177594
                3d
                   -2 :              -0.00001469376515
                   -1 :               0.00000203496281
                   +0 :              -0.00002801372837
                   +1 :              -0.00001822010112
                   +2 :              -0.00001873070733
             10 vec=   -12.966938      7.970091      4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000529772743
                2s
                   +0 :               0.00002791385954
                3s
                   +0 :               0.00001308509416
                2p
                   -1 :              -0.00005529750466
                   +0 :               0.00002012507362
                   +1 :              -0.00006309279498
                3p
                   -1 :               0.00009947807673
                   +0 :              -0.00001455318712
                   +1 :               0.00000373863975
                3d
                   -2 :              -0.00000126011152
                   -1 :              -0.00000298060752
                   +0 :               0.00000260748163
                   +1 :               0.00000216066359
                   +2 :              -0.00000502717162
             11 vec=    -5.186775    -14.489304      4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00005906627209
                2s
                   +0 :               0.00036899910693
                3s
                   +0 :              -0.00016429243365
                2p
                   -1 :              -0.00011549424845
                   +0 :               0.00016708779393
                   +1 :              -0.00003233732328
                3p
                   -1 :               0.00004249454038
                   +0 :              -0.00016582060299
                   +1 :               0.00002421020164
                3d
                   -2 :              -0.00000769677838
                   -1 :               0.00002331622591
                   +0 :              -0.00001050130464
                   +1 :               0.00001213602430
                   +2 :              -0.00000046021460
             12 vec=    10.373550     12.461970      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00002367144042
                2s
                   +0 :              -0.00015054137994
                3s
                   +0 :               0.00008228312359
                2p
                   -1 :              -0.00004461261633
                   +0 :              -0.00006663136040
                   +1 :               0.00000670390774
                3p
                   -1 :               0.00002156523808
                   +0 :               0.00003938115378
                   +1 :               0.00001358996243
                3d
                   -2 :               0.00000019437367
                   -1 :              -0.00000056634014
                   +0 :              -0.00000167853658
                   +1 :               0.00000264635616
                   +2 :              -0.00000363082021
             13 vec=   -12.966938     -9.997425      4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000978395697
                2s
                   +0 :               0.00007683898043
                3s
                   +0 :              -0.00002062545254
                2p
                   -1 :              -0.00005010927950
                   +0 :              -0.00006874047100
                   +1 :               0.00001020559924
                3p
                   -1 :               0.00002574578375
                   +0 :               0.00004900639399
                   +1 :              -0.00004325484249
                3d
                   -2 :               0.00000773307913
                   -1 :              -0.00000883496481
                   +0 :              -0.00000005557298
                   +1 :              -0.00000400759485
                   +2 :               0.00000601459052
             14 vec=     2.593388     16.953849      4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000389018502
                2s
                   +0 :               0.00003759280326
                3s
                   +0 :              -0.00000666191423
                2p
                   -1 :               0.00002581853356
                   +0 :              -0.00001665022664
                   +1 :              -0.00004213285071
                3p
                   -1 :              -0.00000575247841
                   +0 :               0.00000790555812
                   +1 :               0.00002015443121
                3d
                   -2 :              -0.00000556411520
                   -1 :              -0.00000026813534
                   +0 :               0.00000010247024
                   +1 :               0.00000004975583
                   +2 :               0.00000064880291
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 19)  npairs=  12
              1 vec=     2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00030127018467
                2s
                   +0 :              -0.00338657024638
                3s
                   +0 :               0.00047564492838
                2p
                   -1 :              -0.00075567291408
                   +0 :              -0.01066109808233
                   +1 :               0.00185714642192
                3p
                   -1 :               0.00206565539038
                   +0 :              -0.00340583242163
                   +1 :              -0.00259953170744
                3d
                   -2 :               0.00033015758504
                   -1 :               0.00170247150309
                   +0 :              -0.00006444748047
                   +1 :              -0.00115273133086
                   +2 :               0.00018858559422
              2 vec=    -5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00182184329885
                2s
                   +0 :               0.01181923153326
                3s
                   +0 :              -0.00520444443475
                2p
                   -1 :              -0.00011248619770
                   +0 :              -0.00053267507563
                   +1 :              -0.00794764908518
                3p
                   -1 :               0.00009239320256
                   +0 :              -0.00345096148529
                   +1 :               0.00446550626873
                3d
                   -2 :              -0.00028987463654
                   -1 :               0.00021974319303
                   +0 :               0.00026001858201
                   +1 :               0.00062189283977
                   +2 :              -0.00013701884034
              3 vec=     2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00151123171001
                2s
                   +0 :              -0.00844435324515
                3s
                   +0 :               0.00410529821334
                2p
                   -1 :              -0.00868262111207
                   +0 :              -0.00630799860597
                   +1 :               0.00040862537642
                3p
                   -1 :               0.00638694825930
                   +0 :               0.00156197983053
                   +1 :              -0.00055554854365
                3d
                   -2 :               0.00009587517689
                   -1 :              -0.00092527570018
                   +0 :              -0.00044600820590
                   +1 :              -0.00011132510367
                   +2 :              -0.00037792354360
              4 vec=    -5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00001712131250
                2s
                   +0 :               0.00029325743121
                3s
                   +0 :               0.00008423551046
                2p
                   -1 :              -0.00138552641296
                   +0 :              -0.00044055961290
                   +1 :               0.00023035001421
                3p
                   -1 :               0.00088685470482
                   +0 :              -0.00002839450945
                   +1 :              -0.00040097021243
                3d
                   -2 :              -0.00001690412399
                   -1 :               0.00001847051505
                   +0 :              -0.00003343627020
                   +1 :               0.00000864573534
                   +2 :               0.00008743690567
              5 vec=    10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00002444038898
                2s
                   +0 :              -0.00060775906648
                3s
                   +0 :              -0.00017379757812
                2p
                   -1 :               0.00008912933265
                   +0 :               0.00019345738343
                   +1 :              -0.00146452575458
                3p
                   -1 :              -0.00009256300460
                   +0 :              -0.00054782596450
                   +1 :               0.00065589852292
                3d
                   -2 :              -0.00006794723284
                   -1 :              -0.00004739107147
                   +0 :              -0.00011161632135
                   +1 :              -0.00010350920466
                   +2 :               0.00000498017930
              6 vec=    -5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00018363896079
                2s
                   +0 :              -0.00084839248794
                3s
                   +0 :               0.00054343222873
                2p
                   -1 :              -0.00069692472560
                   +0 :               0.00021852566547
                   +1 :               0.00041795875951
                3p
                   -1 :               0.00074603569711
                   +0 :              -0.00050125112418
                   +1 :              -0.00039827531104
                3d
                   -2 :              -0.00007382663365
                   -1 :              -0.00002585123535
                   +0 :              -0.00001862181447
                   +1 :               0.00003770283176
                   +2 :              -0.00000479733371
              7 vec=     2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00002383023093
                2s
                   +0 :              -0.00014757833061
                3s
                   +0 :               0.00008502395879
                2p
                   -1 :              -0.00017479439350
                   +0 :              -0.00041493137612
                   +1 :               0.00028933577481
                3p
                   -1 :               0.00011897654343
                   +0 :               0.00027534496617
                   +1 :              -0.00019122965229
                3d
                   -2 :              -0.00000338762423
                   -1 :               0.00000719365886
                   +0 :              -0.00001207746611
                   +1 :               0.00001284194795
                   +2 :              -0.00000805101181
              8 vec=    10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00006421967932
                2s
                   +0 :              -0.00044398708894
                3s
                   +0 :               0.00019497286017
                2p
                   -1 :               0.00015614740987
                   +0 :              -0.00015573049310
                   +1 :              -0.00045652464426
                3p
                   -1 :              -0.00011574905555
                   +0 :               0.00004329625895
                   +1 :               0.00032285571913
                3d
                   -2 :              -0.00001384596607
                   -1 :              -0.00000676415480
                   +0 :               0.00001516072881
                   +1 :               0.00000609170570
                   +2 :               0.00001590899273
              9 vec=   -13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005103278878
                2s
                   +0 :               0.00031939048554
                3s
                   +0 :              -0.00012652127178
                2p
                   -1 :              -0.00017295283696
                   +0 :               0.00013941595799
                   +1 :              -0.00030256701683
                3p
                   -1 :               0.00009994690863
                   +0 :              -0.00015836331450
                   +1 :               0.00020180680832
                3d
                   -2 :               0.00000863389501
                   -1 :              -0.00000420238934
                   +0 :               0.00000489019115
                   +1 :               0.00000294987669
                   +2 :              -0.00000790393956
             10 vec=    10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00001322004938
                2s
                   +0 :              -0.00010734424746
                3s
                   +0 :               0.00002787397635
                2p
                   -1 :               0.00011904419320
                   +0 :               0.00013456793354
                   +1 :              -0.00014510574000
                3p
                   -1 :              -0.00012947051941
                   +0 :              -0.00013102890623
                   +1 :               0.00010695618172
                3d
                   -2 :              -0.00000115669328
                   -1 :              -0.00000873500081
                   +0 :               0.00001881766989
                   +1 :               0.00000771042132
                   +2 :               0.00001721310645
             11 vec=   -13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00002558986819
                2s
                   +0 :              -0.00015084546833
                3s
                   +0 :               0.00012266511157
                2p
                   -1 :               0.00017162250638
                   +0 :              -0.00006569934373
                   +1 :               0.00029373972059
                3p
                   -1 :              -0.00009790827084
                   +0 :               0.00003789509328
                   +1 :              -0.00025092623786
                3d
                   -2 :               0.00000021167326
                   -1 :               0.00001302236532
                   +0 :              -0.00002280501140
                   +1 :               0.00000488937664
                   +2 :               0.00001131302938
             12 vec=     2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000871684808
                2s
                   +0 :              -0.00001297443452
                3s
                   +0 :               0.00000907412378
                2p
                   -1 :              -0.00001494088922
                   +0 :               0.00006261449988
                   +1 :               0.00003397996048
                3p
                   -1 :               0.00003164386090
                   +0 :              -0.00009266214124
                   +1 :              -0.00000979451002
                3d
                   -2 :              -0.00000051838889
                   -1 :              -0.00000205522811
                   +0 :               0.00000497697560
                   +1 :               0.00000834099686
                   +2 :               0.00000821752014
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 20)  npairs=  12
              1 vec=    -2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00030171274656
                2s
                   +0 :               0.00337305093601
                3s
                   +0 :              -0.00047911090212
                2p
                   -1 :               0.00078953031814
                   +0 :              -0.01064495090813
                   +1 :               0.00186784296105
                3p
                   -1 :              -0.00210312673739
                   +0 :              -0.00342119296722
                   +1 :              -0.00258953812182
                3d
                   -2 :               0.00033589592544
                   -1 :               0.00170406998752
                   +0 :               0.00006239072863
                   +1 :               0.00115182050753
                   +2 :              -0.00019224545250
              2 vec=    -2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00152239754765
                2s
                   +0 :               0.00853648674357
                3s
                   +0 :              -0.00413186569003
                2p
                   -1 :               0.00871424080425
                   +0 :              -0.00632691971038
                   +1 :               0.00041106403558
                3p
                   -1 :              -0.00640133667783
                   +0 :               0.00156404734216
                   +1 :              -0.00056707476598
                3d
                   -2 :               0.00009576755051
                   -1 :              -0.00092830936363
                   +0 :               0.00044519614887
                   +1 :               0.00011246192525
                   +2 :               0.00037929173476
              3 vec=     5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00181840860950
                2s
                   +0 :              -0.01178429259036
                3s
                   +0 :               0.00520197516039
                2p
                   -1 :               0.00011638965568
                   +0 :              -0.00052374039046
                   +1 :              -0.00793120773971
                3p
                   -1 :              -0.00009854683494
                   +0 :              -0.00344458835628
                   +1 :               0.00444891495704
                3d
                   -2 :              -0.00028856743909
                   -1 :               0.00021972046306
                   +0 :              -0.00026083016499
                   +1 :              -0.00062063664587
                   +2 :               0.00013756474217
              4 vec=   -10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00002598618555
                2s
                   +0 :               0.00060460343034
                3s
                   +0 :               0.00018150033615
                2p
                   -1 :              -0.00007901098762
                   +0 :               0.00019433416191
                   +1 :              -0.00147439060912
                3p
                   -1 :               0.00009213867896
                   +0 :              -0.00055618527203
                   +1 :               0.00065407157436
                3d
                   -2 :              -0.00006850504586
                   -1 :              -0.00004788634936
                   +0 :               0.00011161780806
                   +1 :               0.00010433278324
                   +2 :              -0.00000467873446
              5 vec=     5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00001548298459
                2s
                   +0 :              -0.00030351489068
                3s
                   +0 :              -0.00008237021336
                2p
                   -1 :               0.00136606788447
                   +0 :              -0.00043069575771
                   +1 :               0.00022469510357
                3p
                   -1 :              -0.00088077112062
                   +0 :              -0.00003071801783
                   +1 :              -0.00039749310856
                3d
                   -2 :              -0.00001612459160
                   -1 :               0.00001843649070
                   +0 :               0.00003460846226
                   +1 :              -0.00000935590447
                   +2 :              -0.00008740444009
              6 vec=     5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00018469225112
                2s
                   +0 :               0.00086235142018
                3s
                   +0 :              -0.00054627550401
                2p
                   -1 :               0.00070862553545
                   +0 :               0.00021782221502
                   +1 :               0.00043162406206
                3p
                   -1 :              -0.00074994894128
                   +0 :              -0.00050047413915
                   +1 :              -0.00040057113222
                3d
                   -2 :              -0.00007345267507
                   -1 :              -0.00002641182277
                   +0 :               0.00001831310616
                   +1 :              -0.00003845723951
                   +2 :               0.00000495876203
              7 vec=   -10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00006261353501
                2s
                   +0 :               0.00042317149194
                3s
                   +0 :              -0.00019626910826
                2p
                   -1 :              -0.00015685597966
                   +0 :              -0.00016132721889
                   +1 :              -0.00045955197666
                3p
                   -1 :               0.00011804614142
                   +0 :               0.00004574851588
                   +1 :               0.00032409663288
                3d
                   -2 :              -0.00001320700137
                   -1 :              -0.00000568489648
                   +0 :              -0.00001575072880
                   +1 :              -0.00000668773549
                   +2 :              -0.00001554185945
              8 vec=    -2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00002177059976
                2s
                   +0 :               0.00012156571142
                3s
                   +0 :              -0.00008310783308
                2p
                   -1 :               0.00018955571124
                   +0 :              -0.00040813232372
                   +1 :               0.00029258257901
                3p
                   -1 :              -0.00012345923060
                   +0 :               0.00027190782178
                   +1 :              -0.00019170444008
                3d
                   -2 :              -0.00000314825121
                   -1 :               0.00000767759542
                   +0 :               0.00001113709059
                   +1 :              -0.00001293757360
                   +2 :               0.00000853561030
              9 vec=   -10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00001267222836
                2s
                   +0 :               0.00009978226524
                3s
                   +0 :              -0.00002743104893
                2p
                   -1 :              -0.00011716355202
                   +0 :               0.00012936065615
                   +1 :              -0.00014637627601
                3p
                   -1 :               0.00012766131681
                   +0 :              -0.00013377207343
                   +1 :               0.00010832673228
                3d
                   -2 :              -0.00000071706319
                   -1 :              -0.00000869015386
                   +0 :              -0.00001958994009
                   +1 :              -0.00000686956616
                   +2 :              -0.00001735986841
             10 vec=    13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005370671794
                2s
                   +0 :              -0.00034616609552
                3s
                   +0 :               0.00013164330395
                2p
                   -1 :               0.00017372584753
                   +0 :               0.00014657938339
                   +1 :              -0.00030411830777
                3p
                   -1 :              -0.00010419523251
                   +0 :              -0.00015665080330
                   +1 :               0.00019978572188
                3d
                   -2 :               0.00000800651127
                   -1 :              -0.00000409618448
                   +0 :              -0.00000491549443
                   +1 :              -0.00000281791068
                   +2 :               0.00000793694635
             11 vec=    -2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00000717328288
                2s
                   +0 :               0.00000214908191
                3s
                   +0 :              -0.00000533486714
                2p
                   -1 :               0.00001781432942
                   +0 :               0.00006551124182
                   +1 :               0.00003712992151
                3p
                   -1 :              -0.00003257357274
                   +0 :              -0.00009557811934
                   +1 :              -0.00001299492640
                3d
                   -2 :              -0.00000021360442
                   -1 :              -0.00000190672979
                   +0 :              -0.00000482411375
                   +1 :              -0.00000854353629
                   +2 :              -0.00000812159923
             12 vec=    13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00002444291819
                2s
                   +0 :               0.00014356287072
                3s
                   +0 :              -0.00011903829133
                2p
                   -1 :              -0.00017065677345
                   +0 :              -0.00006288221793
                   +1 :               0.00028641396150
                3p
                   -1 :               0.00009629973280
                   +0 :               0.00003593921974
                   +1 :              -0.00024365627201
                3d
                   -2 :               0.00000062582975
                   -1 :               0.00001350295398
                   +0 :               0.00002333062828
                   +1 :              -0.00000493795041
                   +2 :              -0.00001108849391
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 21)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00002329422269
                2s
                   +0 :              -0.00045385251029
                3s
                   +0 :               0.00004552428645
                2p
                   -1 :              -0.00009701318297
                   +0 :               0.87407009020164
                   +1 :              -0.03356134511711
                3p
                   -1 :               0.00006588181189
                   +0 :              -0.03991756573809
                   +1 :               0.01392319598857
                3d
                   -2 :               0.00223580632593
                   -1 :              -0.00438953461856
                   +0 :              -0.00004146020112
                   +1 :               0.00000472148989
                   +2 :              -0.00000563363343
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00005445857746
                2s
                   +0 :              -0.00009281395414
                3s
                   +0 :               0.00023852733708
                2p
                   -1 :               0.00018392636428
                   +0 :              -0.00015999405852
                   +1 :               0.00085192840376
                3p
                   -1 :              -0.00020777990171
                   +0 :               0.00033312888888
                   +1 :              -0.00088809928839
                3d
                   -2 :              -0.00007845760101
                   -1 :              -0.00001110564230
                   +0 :               0.00000860862590
                   +1 :              -0.00011829939820
                   +2 :               0.00002232826582
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00028125069889
                2s
                   +0 :               0.00203852677437
                3s
                   +0 :              -0.00120721708959
                2p
                   -1 :               0.00122679322694
                   +0 :               0.00074939097578
                   +1 :              -0.00166718525125
                3p
                   -1 :              -0.00093219286859
                   +0 :              -0.00054466043849
                   +1 :               0.00172926014294
                3d
                   -2 :               0.00018759911797
                   -1 :              -0.00013732359779
                   +0 :               0.00001806696833
                   +1 :               0.00008542738007
                   +2 :              -0.00010924923076
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000230517080
                2s
                   +0 :              -0.00001910494001
                3s
                   +0 :               0.00000439658139
                2p
                   -1 :              -0.00001062168616
                   +0 :              -0.00031294745708
                   +1 :              -0.00170418859004
                3p
                   -1 :               0.00000564189966
                   +0 :               0.00071350947611
                   +1 :               0.00183967875471
                3d
                   -2 :              -0.00006287086107
                   -1 :              -0.00019188293015
                   +0 :               0.00000052753361
                   +1 :               0.00000083316985
                   +2 :               0.00000041487410
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000193467398
                2s
                   +0 :              -0.00000980571808
                3s
                   +0 :               0.00000625866796
                2p
                   -1 :              -0.00001488868533
                   +0 :               0.00069284826116
                   +1 :               0.00006523829013
                3p
                   -1 :               0.00001060552857
                   +0 :              -0.00033457353713
                   +1 :               0.00011265567840
                3d
                   -2 :               0.00003499472514
                   -1 :               0.00003359559028
                   +0 :              -0.00000045929785
                   +1 :               0.00000027174426
                   +2 :              -0.00000061459478
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00005401211916
                2s
                   +0 :               0.00009374304775
                3s
                   +0 :              -0.00023593285856
                2p
                   -1 :              -0.00019336351769
                   +0 :              -0.00014549226878
                   +1 :               0.00083681437919
                3p
                   -1 :               0.00020579172858
                   +0 :               0.00033778869481
                   +1 :              -0.00088065865686
                3d
                   -2 :              -0.00007741896136
                   -1 :              -0.00001163873784
                   +0 :              -0.00000808258853
                   +1 :               0.00011807068474
                   +2 :              -0.00002293543957
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028045596705
                2s
                   +0 :              -0.00202086987472
                3s
                   +0 :               0.00120981414903
                2p
                   -1 :              -0.00123013867522
                   +0 :               0.00074362046870
                   +1 :              -0.00163547909822
                3p
                   -1 :               0.00093976871381
                   +0 :              -0.00055507450986
                   +1 :               0.00172130881538
                3d
                   -2 :               0.00018857989770
                   -1 :              -0.00013777343350
                   +0 :              -0.00001766840909
                   +1 :              -0.00008672450664
                   +2 :               0.00010902203722
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002180977458
                2s
                   +0 :               0.00019614721421
                3s
                   +0 :              -0.00002030793240
                2p
                   -1 :              -0.00005003321653
                   +0 :              -0.00011759648246
                   +1 :               0.00000381790095
                3p
                   -1 :               0.00002110754731
                   +0 :               0.00003233223976
                   +1 :              -0.00014237389227
                3d
                   -2 :              -0.00000351255781
                   -1 :              -0.00000384793693
                   +0 :              -0.00001425920179
                   +1 :              -0.00000213126799
                   +2 :               0.00002835201021
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001191115150
                2s
                   +0 :               0.00011392640001
                3s
                   +0 :              -0.00001260173171
                2p
                   -1 :               0.00017274814644
                   +0 :               0.00002173775909
                   +1 :               0.00007293819299
                3p
                   -1 :              -0.00023255963777
                   +0 :              -0.00003070897238
                   +1 :              -0.00009718851981
                3d
                   -2 :               0.00001635248634
                   -1 :               0.00000138343644
                   +0 :              -0.00001333126078
                   +1 :              -0.00001343296962
                   +2 :              -0.00000665097179
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003198881937
                2s
                   +0 :               0.00020785217451
                3s
                   +0 :              -0.00007270778203
                2p
                   -1 :               0.00003526132482
                   +0 :               0.00010235646000
                   +1 :               0.00002025870739
                3p
                   -1 :               0.00002505129469
                   +0 :              -0.00011401738269
                   +1 :              -0.00003855313491
                3d
                   -2 :              -0.00000600274505
                   -1 :              -0.00000941846521
                   +0 :              -0.00001152085176
                   +1 :               0.00000320469829
                   +2 :              -0.00000214297763
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001510922743
                2s
                   +0 :              -0.00014137483353
                3s
                   +0 :               0.00001936069485
                2p
                   -1 :              -0.00015966639384
                   +0 :               0.00002198528628
                   +1 :               0.00007081687236
                3p
                   -1 :               0.00022849287401
                   +0 :              -0.00003280933095
                   +1 :              -0.00009509343689
                3d
                   -2 :               0.00001616120434
                   -1 :               0.00000163556285
                   +0 :               0.00001340706891
                   +1 :               0.00001410088242
                   +2 :               0.00000667546406
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003245911498
                2s
                   +0 :              -0.00021113053463
                3s
                   +0 :               0.00007283140907
                2p
                   -1 :              -0.00003722187401
                   +0 :               0.00010284094705
                   +1 :               0.00001598299970
                3p
                   -1 :              -0.00002229398535
                   +0 :              -0.00011264083871
                   +1 :              -0.00003675243446
                3d
                   -2 :              -0.00000592418269
                   -1 :              -0.00000894867054
                   +0 :               0.00001145136000
                   +1 :              -0.00000271133378
                   +2 :               0.00000172795708
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002227764206
                2s
                   +0 :              -0.00020490788916
                3s
                   +0 :               0.00001957818479
                2p
                   -1 :               0.00004171636607
                   +0 :              -0.00011634769780
                   +1 :               0.00000477677585
                3p
                   -1 :              -0.00001679847569
                   +0 :               0.00003179178884
                   +1 :              -0.00014579430002
                3d
                   -2 :              -0.00000375310591
                   -1 :              -0.00000351051371
                   +0 :               0.00001404002401
                   +1 :               0.00000255439187
                   +2 :              -0.00002833714815
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000370946705
                2s
                   +0 :              -0.00000902193572
                3s
                   +0 :               0.00001352461523
                2p
                   -1 :               0.00000611057698
                   +0 :              -0.00000938830349
                   +1 :              -0.00002080128094
                3p
                   -1 :              -0.00001440710380
                   +0 :              -0.00000433138449
                   +1 :               0.00000957623938
                3d
                   -2 :               0.00000289102530
                   -1 :              -0.00000114413765
                   +0 :              -0.00000367450996
                   +1 :               0.00000272645801
                   +2 :               0.00000012519641
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000058427128
                2s
                   +0 :               0.00001983465903
                3s
                   +0 :               0.00000036628743
                2p
                   -1 :              -0.00001178656076
                   +0 :              -0.00002046667164
                   +1 :               0.00000857615810
                3p
                   -1 :               0.00001797194429
                   +0 :               0.00000733606932
                   +1 :              -0.00001658121144
                3d
                   -2 :              -0.00000346028197
                   -1 :               0.00000130599116
                   +0 :               0.00000080415921
                   +1 :               0.00000001765345
                   +2 :               0.00000217799455
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000012832089
                2s
                   +0 :              -0.00000187581025
                3s
                   +0 :              -0.00000019781395
                2p
                   -1 :               0.00000040975190
                   +0 :               0.00000365217125
                   +1 :               0.00000386147566
                3p
                   -1 :               0.00000098252615
                   +0 :              -0.00001284527349
                   +1 :              -0.00000729413528
                3d
                   -2 :               0.00000435350479
                   -1 :               0.00000033727217
                   +0 :              -0.00000005034544
                   +1 :              -0.00000004018925
                   +2 :               0.00000002985910
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000002992040
                2s
                   +0 :               0.00000000234173
                3s
                   +0 :               0.00000040145470
                2p
                   -1 :              -0.00000125710672
                   +0 :               0.00004627237822
                   +1 :              -0.00002946739361
                3p
                   -1 :               0.00000104745376
                   +0 :              -0.00004759431045
                   +1 :               0.00001669226907
                3d
                   -2 :               0.00000101664385
                   -1 :              -0.00000609506969
                   +0 :              -0.00000001467537
                   +1 :              -0.00000005610639
                   +2 :               0.00000007477326
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000315064239
                2s
                   +0 :               0.00000357194254
                3s
                   +0 :              -0.00001292817819
                2p
                   -1 :              -0.00000293038618
                   +0 :              -0.00000871443693
                   +1 :              -0.00002501561718
                3p
                   -1 :               0.00001269534846
                   +0 :              -0.00000378723388
                   +1 :               0.00001035877067
                3d
                   -2 :               0.00000293361910
                   -1 :              -0.00000115169379
                   +0 :               0.00000339318815
                   +1 :              -0.00000261814580
                   +2 :              -0.00000027004693
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000044184624
                2s
                   +0 :              -0.00001986962687
                3s
                   +0 :              -0.00000118905619
                2p
                   -1 :               0.00000974246645
                   +0 :              -0.00002037920322
                   +1 :               0.00000837434438
                3p
                   -1 :              -0.00001653110715
                   +0 :               0.00000620488639
                   +1 :              -0.00001689490167
                3d
                   -2 :              -0.00000326603289
                   -1 :               0.00000114286562
                   +0 :              -0.00000068068355
                   +1 :              -0.00000003009221
                   +2 :              -0.00000226375593
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 22)  npairs=  14
              1 vec=    -2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003137310368
                2s
                   +0 :              -0.00035453481948
                3s
                   +0 :              -0.00014727894107
                2p
                   -1 :              -0.00002772846067
                   +0 :               0.00005687913809
                   +1 :              -0.00066653757512
                3p
                   -1 :              -0.00012219565773
                   +0 :              -0.00004167497053
                   +1 :               0.00030399509760
                3d
                   -2 :               0.00000530763660
                   -1 :               0.00000675313222
                   +0 :               0.00001759146689
                   +1 :              -0.00001986832739
                   +2 :              -0.00003298901190
              2 vec=    -2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00012020431974
                2s
                   +0 :              -0.00039083141572
                3s
                   +0 :               0.00043727949298
                2p
                   -1 :               0.00013448712079
                   +0 :              -0.00068697717114
                   +1 :               0.00062006612936
                3p
                   -1 :              -0.00020531105948
                   +0 :               0.00071523943433
                   +1 :              -0.00056037265669
                3d
                   -2 :              -0.00000465255267
                   -1 :               0.00000357119391
                   +0 :               0.00000144793238
                   +1 :              -0.00003175662159
                   +2 :              -0.00000370054784
              3 vec=     5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00004235517745
                2s
                   +0 :              -0.00094594359948
                3s
                   +0 :              -0.00012716955339
                2p
                   -1 :              -0.00013801209402
                   +0 :               0.00035446420330
                   +1 :               0.00023593890850
                3p
                   -1 :              -0.00001943415673
                   +0 :               0.00035571033663
                   +1 :              -0.00023748641104
                3d
                   -2 :              -0.00003031037122
                   -1 :               0.00002045456153
                   +0 :              -0.00006016806867
                   +1 :               0.00002708285893
                   +2 :               0.00000560707112
              4 vec=     5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00007232944954
                2s
                   +0 :               0.00121984628912
                3s
                   +0 :              -0.00005359791005
                2p
                   -1 :               0.00012964175601
                   +0 :               0.00096289980143
                   +1 :               0.00028040938515
                3p
                   -1 :               0.00019008940524
                   +0 :              -0.00001989877661
                   +1 :              -0.00011056932396
                3d
                   -2 :              -0.00000456876389
                   -1 :               0.00005371045834
                   +0 :               0.00002591714273
                   +1 :               0.00000259264056
                   +2 :              -0.00003568712648
              5 vec=    -2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003705751259
                2s
                   +0 :              -0.00047657477285
                3s
                   +0 :               0.00002251887563
                2p
                   -1 :              -0.00008003158571
                   +0 :               0.00027646841505
                   +1 :              -0.00031676317358
                3p
                   -1 :              -0.00007852800859
                   +0 :              -0.00007906545613
                   +1 :               0.00011355430180
                3d
                   -2 :              -0.00000985045308
                   -1 :               0.00000599379627
                   +0 :               0.00000709212099
                   +1 :               0.00003072506272
                   +2 :              -0.00000766763307
              6 vec=    -2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00005337144023
                2s
                   +0 :               0.00040816704627
                3s
                   +0 :              -0.00011057878508
                2p
                   -1 :               0.00010602063849
                   +0 :               0.00013942889533
                   +1 :              -0.00015530250932
                3p
                   -1 :               0.00007496160536
                   +0 :              -0.00004316066226
                   +1 :               0.00023551017404
                3d
                   -2 :               0.00003032740563
                   -1 :              -0.00000350238416
                   +0 :              -0.00002220235005
                   +1 :               0.00002714174657
                   +2 :              -0.00000000397641
              7 vec=     5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006198769409
                2s
                   +0 :              -0.00057464111833
                3s
                   +0 :               0.00019447702952
                2p
                   -1 :              -0.00024949010999
                   +0 :               0.00033041499696
                   +1 :              -0.00019584011620
                3p
                   -1 :               0.00017115370781
                   +0 :              -0.00025319389072
                   +1 :              -0.00000293386818
                3d
                   -2 :               0.00000660985053
                   -1 :               0.00001052207629
                   +0 :               0.00001644548418
                   +1 :               0.00002228557540
                   +2 :              -0.00000148658415
              8 vec=     5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003886599524
                2s
                   +0 :               0.00050552122882
                3s
                   +0 :              -0.00001650426156
                2p
                   -1 :               0.00000644046115
                   +0 :              -0.00008035524968
                   +1 :               0.00025608257601
                3p
                   -1 :              -0.00007098208264
                   +0 :               0.00027701317096
                   +1 :               0.00005563968031
                3d
                   -2 :              -0.00000153503130
                   -1 :              -0.00000122332880
                   +0 :               0.00002314560541
                   +1 :               0.00002438396321
                   +2 :               0.00002876491859
              9 vec=   -10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002401216930
                2s
                   +0 :              -0.00021457710951
                3s
                   +0 :               0.00006230865274
                2p
                   -1 :              -0.00008870830218
                   +0 :               0.00012841336236
                   +1 :               0.00021398414708
                3p
                   -1 :               0.00003446703699
                   +0 :              -0.00004004198141
                   +1 :              -0.00007409451415
                3d
                   -2 :              -0.00000210847925
                   -1 :              -0.00000265708368
                   +0 :               0.00000553833375
                   +1 :               0.00000084588297
                   +2 :               0.00000563395579
             10 vec=   -10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000598195656
                2s
                   +0 :              -0.00001217088280
                3s
                   +0 :               0.00000775915359
                2p
                   -1 :               0.00017421420960
                   +0 :              -0.00004868718226
                   +1 :              -0.00010473044938
                3p
                   -1 :              -0.00014704811640
                   +0 :               0.00008047376934
                   +1 :               0.00001996687299
                3d
                   -2 :               0.00001210191528
                   -1 :              -0.00001430409547
                   +0 :               0.00000835712016
                   +1 :               0.00000156146606
                   +2 :               0.00000413965292
             11 vec=    -2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000277898298
                2s
                   +0 :              -0.00001883696941
                3s
                   +0 :              -0.00001843329320
                2p
                   -1 :               0.00008787425391
                   +0 :               0.00003039522741
                   +1 :               0.00009554888992
                3p
                   -1 :               0.00004498510158
                   +0 :               0.00006687092953
                   +1 :              -0.00002872017287
                3d
                   -2 :              -0.00001358433140
                   -1 :              -0.00000908630340
                   +0 :              -0.00002191178607
                   +1 :              -0.00000041610034
                   +2 :               0.00000216846593
             12 vec=    -2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001301907470
                2s
                   +0 :               0.00010891009440
                3s
                   +0 :              -0.00003831046911
                2p
                   -1 :              -0.00022060195582
                   +0 :               0.00011914250783
                   +1 :              -0.00005607725994
                3p
                   -1 :               0.00008991369311
                   +0 :              -0.00004599015297
                   +1 :              -0.00000432224806
                3d
                   -2 :              -0.00000353207466
                   -1 :               0.00000351494347
                   +0 :               0.00001766922221
                   +1 :              -0.00000225794679
                   +2 :              -0.00000114175838
             13 vec=   -10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000401800624
                2s
                   +0 :               0.00000049124976
                3s
                   +0 :              -0.00003572456083
                2p
                   -1 :               0.00012723041152
                   +0 :              -0.00005016763319
                   +1 :               0.00009689394186
                3p
                   -1 :               0.00001033244979
                   +0 :               0.00007501858152
                   +1 :               0.00003087135526
                3d
                   -2 :              -0.00001072123144
                   -1 :              -0.00000613128775
                   +0 :              -0.00000329625710
                   +1 :              -0.00001636231291
                   +2 :              -0.00000361706627
             14 vec=   -10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000032578294
                2s
                   +0 :               0.00002389329247
                3s
                   +0 :              -0.00000362119017
                2p
                   -1 :              -0.00006528147545
                   +0 :               0.00001904848412
                   +1 :              -0.00016408079008
                3p
                   -1 :               0.00003280610612
                   +0 :              -0.00000853268363
                   +1 :               0.00006613808414
                3d
                   -2 :               0.00000296810420
                   -1 :               0.00000636869567
                   +0 :               0.00000062990879
                   +1 :               0.00000737137513
                   +2 :              -0.00000703551833
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 23)  npairs=  14
              1 vec=     2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005536344053
                2s
                   +0 :              -0.00004236289868
                3s
                   +0 :              -0.00027580378705
                2p
                   -1 :               0.00004658241453
                   +0 :              -0.00071923987328
                   +1 :               0.00043888065421
                3p
                   -1 :               0.00009382540880
                   +0 :               0.00067058708721
                   +1 :              -0.00037117608915
                3d
                   -2 :              -0.00002264503000
                   -1 :               0.00000568465217
                   +0 :              -0.00000047259911
                   +1 :               0.00004902589100
                   +2 :              -0.00000626344701
              2 vec=     2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005721351532
                2s
                   +0 :               0.00015050088732
                3s
                   +0 :               0.00015586088676
                2p
                   -1 :              -0.00011490405079
                   +0 :               0.00012229072587
                   +1 :              -0.00069351802569
                3p
                   -1 :               0.00019593592156
                   +0 :              -0.00007717654768
                   +1 :               0.00037884619920
                3d
                   -2 :               0.00003581451702
                   -1 :              -0.00000435174988
                   +0 :              -0.00001429143884
                   +1 :               0.00000428882661
                   +2 :               0.00003341371921
              3 vec=    -5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00007681206103
                2s
                   +0 :              -0.00121360175975
                3s
                   +0 :               0.00005371607146
                2p
                   -1 :              -0.00058548318813
                   +0 :               0.00066080507157
                   +1 :               0.00003322618309
                3p
                   -1 :               0.00008944017514
                   +0 :               0.00021191852381
                   +1 :              -0.00001163377321
                3d
                   -2 :              -0.00000791908022
                   -1 :               0.00002893967011
                   +0 :              -0.00002924193823
                   +1 :               0.00000916061422
                   +2 :               0.00003812562211
              4 vec=    -5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00010310337358
                2s
                   +0 :               0.00130486193485
                3s
                   +0 :              -0.00007850871373
                2p
                   -1 :               0.00094692152232
                   +0 :               0.00111473009930
                   +1 :              -0.00049953672694
                3p
                   -1 :              -0.00042667278162
                   +0 :               0.00002177643084
                   +1 :               0.00028708711794
                3d
                   -2 :               0.00000263349947
                   -1 :               0.00001078098114
                   +0 :               0.00008031059742
                   +1 :              -0.00001066652061
                   +2 :              -0.00002605157728
              5 vec=     2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00005655644224
                2s
                   +0 :              -0.00045485454675
                3s
                   +0 :               0.00011452411322
                2p
                   -1 :              -0.00009240204950
                   +0 :               0.00021843245559
                   +1 :               0.00000132004266
                3p
                   -1 :              -0.00008274876439
                   +0 :              -0.00009776371235
                   +1 :               0.00008917528783
                3d
                   -2 :               0.00001745374161
                   -1 :               0.00000270453850
                   +0 :               0.00002353300888
                   +1 :              -0.00003192270966
                   +2 :              -0.00000548876867
              6 vec=     2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00004852947825
                2s
                   +0 :               0.00059226637691
                3s
                   +0 :              -0.00008059477469
                2p
                   -1 :               0.00055585016680
                   +0 :               0.00049375629370
                   +1 :              -0.00038200048714
                3p
                   -1 :              -0.00012448902253
                   +0 :              -0.00015347435794
                   +1 :               0.00012950759470
                3d
                   -2 :              -0.00000235820777
                   -1 :               0.00000848850056
                   +0 :              -0.00000112897508
                   +1 :              -0.00000975284914
                   +2 :              -0.00000064729168
              7 vec=    -5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002208659397
                2s
                   +0 :              -0.00030713066582
                3s
                   +0 :               0.00000233374837
                2p
                   -1 :              -0.00011082490104
                   +0 :              -0.00016821173384
                   +1 :               0.00022508160602
                3p
                   -1 :               0.00007981736308
                   +0 :               0.00020857889648
                   +1 :              -0.00005148850277
                3d
                   -2 :               0.00002891309625
                   -1 :               0.00004529991988
                   +0 :              -0.00001599516807
                   +1 :              -0.00000906801231
                   +2 :              -0.00003762308774
              8 vec=    -5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003941935363
                2s
                   +0 :               0.00046588304276
                3s
                   +0 :              -0.00014118264468
                2p
                   -1 :              -0.00001300488704
                   +0 :               0.00024431446123
                   +1 :              -0.00017048018116
                3p
                   -1 :               0.00003811890794
                   +0 :              -0.00017107190110
                   +1 :              -0.00009456067385
                3d
                   -2 :               0.00000345227369
                   -1 :              -0.00000206746201
                   +0 :              -0.00002174894647
                   +1 :              -0.00002449804687
                   +2 :               0.00000217945753
              9 vec=    10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002714027073
                2s
                   +0 :              -0.00023352282109
                3s
                   +0 :               0.00006785274999
                2p
                   -1 :              -0.00015223790357
                   +0 :               0.00000809926428
                   +1 :              -0.00009771307174
                3p
                   -1 :               0.00012182671498
                   +0 :               0.00005544347168
                   +1 :               0.00001819672225
                3d
                   -2 :               0.00001071770394
                   -1 :              -0.00001121526785
                   +0 :               0.00000027719075
                   +1 :               0.00000439091064
                   +2 :              -0.00000864743183
             10 vec=    10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000231844399
                2s
                   +0 :              -0.00000947470836
                3s
                   +0 :               0.00001230362027
                2p
                   -1 :               0.00010487682228
                   +0 :               0.00006593084160
                   +1 :               0.00009258863848
                3p
                   -1 :              -0.00005102023361
                   +0 :              -0.00002894673544
                   +1 :              -0.00001328796481
                3d
                   -2 :              -0.00000397058442
                   -1 :              -0.00000569481224
                   +0 :              -0.00000602707410
                   +1 :              -0.00000353184175
                   +2 :              -0.00000124078318
             11 vec=     2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001160245615
                2s
                   +0 :               0.00011806984447
                3s
                   +0 :              -0.00000696004378
                2p
                   -1 :              -0.00016399609666
                   +0 :               0.00003410207104
                   +1 :               0.00002766198409
                3p
                   -1 :               0.00002092902386
                   +0 :               0.00003700818792
                   +1 :              -0.00010844692544
                3d
                   -2 :               0.00002005813333
                   -1 :               0.00000519256590
                   +0 :              -0.00003353857024
                   +1 :               0.00000767978184
                   +2 :              -0.00002206567498
             12 vec=     2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000200081009
                2s
                   +0 :               0.00001518426772
                3s
                   +0 :               0.00003197347867
                2p
                   -1 :               0.00003937893765
                   +0 :              -0.00008955689353
                   +1 :               0.00015062271876
                3p
                   -1 :              -0.00010957008257
                   +0 :               0.00012339480690
                   +1 :              -0.00007980680568
                3d
                   -2 :              -0.00001646151979
                   -1 :              -0.00000534390961
                   +0 :               0.00001566226661
                   +1 :               0.00000052147055
                   +2 :              -0.00000639015318
             13 vec=    10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000782082480
                2s
                   +0 :              -0.00011311848885
                3s
                   +0 :               0.00002251284723
                2p
                   -1 :               0.00007992985977
                   +0 :               0.00000657353492
                   +1 :              -0.00017536836312
                3p
                   -1 :              -0.00003542991713
                   +0 :              -0.00001683361136
                   +1 :               0.00011491022155
                3d
                   -2 :               0.00000083966765
                   -1 :               0.00000699313467
                   +0 :               0.00000282704594
                   +1 :              -0.00000777810229
                   +2 :               0.00000659429854
             14 vec=    10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000665591692
                2s
                   +0 :               0.00011200838532
                3s
                   +0 :               0.00002270084838
                2p
                   -1 :              -0.00010894497731
                   +0 :              -0.00011563313512
                   +1 :               0.00008076201283
                3p
                   -1 :              -0.00001420089857
                   +0 :               0.00009626680345
                   +1 :               0.00004062447145
                3d
                   -2 :              -0.00001338039406
                   -1 :               0.00000020354964
                   +0 :              -0.00000147931372
                   +1 :               0.00000906131123
                   +2 :              -0.00000461811467
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 24)  npairs=  18
              1 vec=     0.000000      3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00005116762566
                2s
                   +0 :               0.00011685268533
                3s
                   +0 :              -0.00016368082698
                2p
                   -1 :               0.00019595851135
                   +0 :               0.00026796156758
                   +1 :               0.00003299574867
                3p
                   -1 :              -0.00005212104307
                   +0 :              -0.00030557319455
                   +1 :              -0.00009348919328
                3d
                   -2 :               0.00000383887045
                   -1 :               0.00001816437975
                   +0 :               0.00001517197160
                   +1 :              -0.00000392719355
                   +2 :               0.00001491463095
              2 vec=     0.000000      3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00007365164451
                2s
                   +0 :              -0.00020722533649
                3s
                   +0 :               0.00024650874983
                2p
                   -1 :              -0.00049553527749
                   +0 :               0.00004263345351
                   +1 :               0.00007945615821
                3p
                   -1 :               0.00039704604269
                   +0 :              -0.00003186497256
                   +1 :              -0.00008935280410
                3d
                   -2 :               0.00001771039059
                   -1 :               0.00002653663174
                   +0 :              -0.00001927508345
                   +1 :               0.00003077945638
                   +2 :              -0.00002266639885
              3 vec=     0.000000     -5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00011870790708
                2s
                   +0 :              -0.00139659607232
                3s
                   +0 :               0.00019859379875
                2p
                   -1 :               0.00017079747816
                   +0 :               0.00054969195580
                   +1 :              -0.00002136321859
                3p
                   -1 :              -0.00008898975792
                   +0 :               0.00016018894415
                   +1 :              -0.00002966096866
                3d
                   -2 :               0.00000756947219
                   -1 :               0.00000863792403
                   +0 :               0.00000054550657
                   +1 :               0.00001119769659
                   +2 :              -0.00002197792194
              4 vec=     0.000000     -5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00008923969943
                2s
                   +0 :               0.00114440403883
                3s
                   +0 :              -0.00012945457183
                2p
                   -1 :              -0.00008119407418
                   +0 :               0.00087330250985
                   +1 :               0.00033639303905
                3p
                   -1 :              -0.00009028904490
                   +0 :              -0.00001016433671
                   +1 :              -0.00024044386990
                3d
                   -2 :              -0.00000157924656
                   -1 :              -0.00000591337309
                   +0 :               0.00000247014239
                   +1 :              -0.00002617051362
                   +2 :               0.00002763486148
              5 vec=    -7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00008181442489
                2s
                   +0 :              -0.00130152737823
                3s
                   +0 :               0.00011126997693
                2p
                   -1 :               0.00035248916871
                   +0 :               0.00074252569930
                   +1 :               0.00041098436605
                3p
                   -1 :              -0.00006723252743
                   +0 :              -0.00007587311092
                   +1 :              -0.00000520229500
                3d
                   -2 :              -0.00001782001157
                   -1 :              -0.00003543668885
                   +0 :              -0.00000305202647
                   +1 :               0.00000024058393
                   +2 :               0.00001388472002
              6 vec=    -7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004362510443
                2s
                   +0 :               0.00043758370844
                3s
                   +0 :              -0.00008227676114
                2p
                   -1 :              -0.00052003911490
                   +0 :               0.00030512925953
                   +1 :              -0.00000050214873
                3p
                   -1 :               0.00020257491364
                   +0 :              -0.00005467807088
                   +1 :              -0.00016772028760
                3d
                   -2 :               0.00001068081104
                   -1 :              -0.00001626945196
                   +0 :              -0.00002000680984
                   +1 :              -0.00001416473427
                   +2 :               0.00001895177201
              7 vec=     7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00006937848817
                2s
                   +0 :              -0.00066746276067
                3s
                   +0 :               0.00017738110277
                2p
                   -1 :               0.00053098719791
                   +0 :               0.00039290238701
                   +1 :              -0.00022765429369
                3p
                   -1 :              -0.00021918951379
                   +0 :              -0.00010041739258
                   +1 :              -0.00000584962829
                3d
                   -2 :               0.00000780090231
                   -1 :              -0.00000566094107
                   +0 :               0.00000802321834
                   +1 :               0.00001639815708
                   +2 :              -0.00000355434194
              8 vec=     7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00007297499138
                2s
                   +0 :               0.00119668328337
                3s
                   +0 :              -0.00012861715395
                2p
                   -1 :              -0.00060724363823
                   +0 :               0.00122145865345
                   +1 :               0.00093751944170
                3p
                   -1 :               0.00001845899006
                   +0 :              -0.00017300261966
                   +1 :              -0.00016858203085
                3d
                   -2 :              -0.00002486784682
                   -1 :              -0.00001944404480
                   +0 :               0.00002735991677
                   +1 :               0.00001784703634
                   +2 :               0.00000116801488
              9 vec=    -7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001451043841
                2s
                   +0 :              -0.00006645252220
                3s
                   +0 :               0.00009359433703
                2p
                   -1 :               0.00001952112931
                   +0 :               0.00009182244711
                   +1 :               0.00004099050157
                3p
                   -1 :              -0.00000675275710
                   +0 :              -0.00004684137200
                   +1 :              -0.00006670809348
                3d
                   -2 :              -0.00003854811978
                   -1 :              -0.00001057928261
                   +0 :              -0.00001917101047
                   +1 :               0.00001618730970
                   +2 :               0.00001306754722
             10 vec=    -7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000618807041
                2s
                   +0 :               0.00009911255831
                3s
                   +0 :              -0.00000752900002
                2p
                   -1 :              -0.00008018806191
                   +0 :              -0.00000945178065
                   +1 :              -0.00014571847392
                3p
                   -1 :               0.00016157081494
                   +0 :               0.00002576776531
                   +1 :               0.00007959973808
                3d
                   -2 :              -0.00001443713264
                   -1 :               0.00001151956782
                   +0 :              -0.00000305136294
                   +1 :               0.00000058987316
                   +2 :              -0.00001119573360
             11 vec=     7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002665840579
                2s
                   +0 :              -0.00023272656416
                3s
                   +0 :               0.00006882097345
                2p
                   -1 :              -0.00006777348891
                   +0 :               0.00009344798544
                   +1 :              -0.00008352069906
                3p
                   -1 :              -0.00000409683183
                   +0 :              -0.00005184602032
                   +1 :               0.00004195130793
                3d
                   -2 :              -0.00000756970578
                   -1 :               0.00000870247243
                   +0 :               0.00000085354149
                   +1 :               0.00000052487252
                   +2 :               0.00000038837227
             12 vec=     7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001699162026
                2s
                   +0 :               0.00014437234785
                3s
                   +0 :              -0.00006045805096
                2p
                   -1 :               0.00010843597477
                   +0 :               0.00002452302003
                   +1 :               0.00010399281837
                3p
                   -1 :              -0.00000061111035
                   +0 :              -0.00002075185408
                   +1 :              -0.00000909140192
                3d
                   -2 :              -0.00000182424393
                   -1 :               0.00000051579964
                   +0 :              -0.00000087984131
                   +1 :              -0.00000555771971
                   +2 :              -0.00000016412883
             13 vec=     0.000000     12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001981688477
                2s
                   +0 :              -0.00018606041706
                3s
                   +0 :               0.00005199225325
                2p
                   -1 :              -0.00012482590600
                   +0 :               0.00007254861731
                   +1 :               0.00003048535459
                3p
                   -1 :               0.00004421224821
                   +0 :              -0.00004242783698
                   +1 :              -0.00000638715227
                3d
                   -2 :              -0.00000434384735
                   -1 :              -0.00000320305975
                   +0 :               0.00000070258914
                   +1 :               0.00000169129799
                   +2 :              -0.00000038113496
             14 vec=     0.000000     12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002661613971
                2s
                   +0 :               0.00022878231301
                3s
                   +0 :              -0.00006828837541
                2p
                   -1 :               0.00015372558141
                   +0 :               0.00006412318646
                   +1 :               0.00003313860963
                3p
                   -1 :              -0.00004711703628
                   +0 :              -0.00004131634965
                   +1 :              -0.00004369934591
                3d
                   -2 :              -0.00000850326040
                   -1 :              -0.00000378198491
                   +0 :               0.00000032157612
                   +1 :              -0.00000293274418
                   +2 :              -0.00000070105620
             15 vec=    -7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000827166036
                2s
                   +0 :              -0.00003044837179
                3s
                   +0 :               0.00004628949699
                2p
                   -1 :               0.00008909575818
                   +0 :               0.00014010170138
                   +1 :               0.00004639621745
                3p
                   -1 :              -0.00008459392384
                   +0 :              -0.00009650525773
                   +1 :              -0.00006803683355
                3d
                   -2 :              -0.00000067662922
                   -1 :               0.00000074426413
                   +0 :               0.00000459437450
                   +1 :               0.00000317875740
                   +2 :               0.00000343084027
             16 vec=    -7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000903889804
                2s
                   +0 :               0.00009453665506
                3s
                   +0 :              -0.00004192772306
                2p
                   -1 :               0.00000255452226
                   +0 :               0.00001059952343
                   +1 :              -0.00010266139475
                3p
                   -1 :              -0.00002813369711
                   +0 :              -0.00000769119187
                   +1 :               0.00008696953127
                3d
                   -2 :              -0.00000445577114
                   -1 :               0.00000447582572
                   +0 :               0.00000509709620
                   +1 :               0.00000803222758
                   +2 :              -0.00000448217662
             17 vec=     7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000802514255
                2s
                   +0 :              -0.00008539760537
                3s
                   +0 :               0.00002952693147
                2p
                   -1 :               0.00004951496804
                   +0 :              -0.00000482789961
                   +1 :              -0.00009071404450
                3p
                   -1 :              -0.00001403210647
                   +0 :               0.00000239824188
                   +1 :               0.00008211799416
                3d
                   -2 :              -0.00000615421912
                   -1 :               0.00000094969470
                   +0 :              -0.00000223494448
                   +1 :              -0.00000744331095
                   +2 :               0.00000215548996
             18 vec=     7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001845087029
                2s
                   +0 :               0.00012358646812
                3s
                   +0 :              -0.00006086266607
                2p
                   -1 :              -0.00015078409782
                   +0 :               0.00002796521394
                   +1 :               0.00001293946751
                3p
                   -1 :               0.00007717865124
                   +0 :              -0.00003266479046
                   +1 :              -0.00002895859490
                3d
                   -2 :               0.00000294335338
                   -1 :               0.00000547649711
                   +0 :              -0.00000405397151
                   +1 :              -0.00000009112970
                   +2 :               0.00000185043857
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 25)  npairs=  14
              1 vec=    -0.209805      0.362794      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00033878600830
                2s
                   +0 :               0.00029050761805
                3s
                   +0 :              -0.00126949941713
                2p
                   -1 :              -0.00059670258011
                   +0 :               0.00391129478835
                   +1 :              -0.00227185754205
                3p
                   -1 :               0.00021321362327
                   +0 :              -0.00371218653186
                   +1 :               0.00130839666669
                3d
                   -2 :              -0.00011138559034
                   -1 :              -0.00005074799787
                   +0 :              -0.00075666478205
                   +1 :              -0.00013133898247
                   +2 :               0.00004695492437
              2 vec=     7.570358     -4.129085      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00005307426860
                2s
                   +0 :              -0.00013793212788
                3s
                   +0 :               0.00014568762337
                2p
                   -1 :              -0.00053818535696
                   +0 :               0.00050379958213
                   +1 :               0.00029031495740
                3p
                   -1 :               0.00037675307145
                   +0 :              -0.00040426210394
                   +1 :              -0.00010115695163
                3d
                   -2 :               0.00004028700329
                   -1 :               0.00004403265661
                   +0 :              -0.00004211792420
                   +1 :               0.00000936705085
                   +2 :               0.00002894395729
              3 vec=    -0.209805     -8.620964      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00024726899065
                2s
                   +0 :              -0.00105221158938
                3s
                   +0 :               0.00084352478229
                2p
                   -1 :              -0.00147282815079
                   +0 :              -0.00122839512004
                   +1 :               0.00059227917368
                3p
                   -1 :               0.00080890007600
                   +0 :               0.00095532249294
                   +1 :              -0.00050434472882
                3d
                   -2 :              -0.00000574704589
                   -1 :               0.00003342540051
                   +0 :               0.00004946634856
                   +1 :               0.00002931894940
                   +2 :               0.00004981800521
              4 vec=     7.570358      4.854673      8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00002140538166
                2s
                   +0 :               0.00039366685316
                3s
                   +0 :               0.00014180047560
                2p
                   -1 :               0.00014875350545
                   +0 :              -0.00047940390837
                   +1 :               0.00009493277299
                3p
                   -1 :               0.00007691515694
                   +0 :               0.00012151628735
                   +1 :               0.00025072290102
                3d
                   -2 :               0.00001653614051
                   -1 :              -0.00000027831971
                   +0 :              -0.00004095992968
                   +1 :               0.00002232086914
                   +2 :               0.00002454218315
              5 vec=    -7.989968     -4.129085      8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00006366748592
                2s
                   +0 :               0.00046716218930
                3s
                   +0 :              -0.00026719228376
                2p
                   -1 :              -0.00012701180418
                   +0 :              -0.00014060988168
                   +1 :              -0.00090141887580
                3p
                   -1 :              -0.00008426764184
                   +0 :               0.00005237104549
                   +1 :               0.00048954485748
                3d
                   -2 :              -0.00003548483460
                   -1 :               0.00000273216950
                   +0 :               0.00002392045123
                   +1 :               0.00001594850357
                   +2 :              -0.00001107484471
              6 vec=    -0.209805      9.346552      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00002724827904
                2s
                   +0 :               0.00028527235493
                3s
                   +0 :              -0.00006103765963
                2p
                   -1 :               0.00079092367641
                   +0 :              -0.00040592779654
                   +1 :               0.00032269851857
                3p
                   -1 :              -0.00042001573756
                   +0 :               0.00044046005167
                   +1 :              -0.00028305191411
                3d
                   -2 :              -0.00000169688328
                   -1 :               0.00001496256216
                   +0 :               0.00006143170764
                   +1 :               0.00001405951400
                   +2 :               0.00003884056465
              7 vec=    -7.989968      4.854673      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00000777850618
                2s
                   +0 :               0.00055129888606
                3s
                   +0 :              -0.00002955505508
                2p
                   -1 :               0.00038054912196
                   +0 :               0.00065258576225
                   +1 :              -0.00080442682488
                3p
                   -1 :              -0.00008761887900
                   +0 :              -0.00061301618223
                   +1 :               0.00037469584348
                3d
                   -2 :              -0.00003163019161
                   -1 :              -0.00000435197629
                   +0 :              -0.00001163186492
                   +1 :               0.00000803641809
                   +2 :              -0.00002097313373
              8 vec=    -0.209805      0.362794    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00000144225792
                2s
                   +0 :              -0.00002143979773
                3s
                   +0 :              -0.00004396165305
                2p
                   -1 :              -0.00001116965300
                   +0 :               0.00002246251411
                   +1 :               0.00011880188311
                3p
                   -1 :              -0.00002014072236
                   +0 :               0.00005975529774
                   +1 :              -0.00011356706140
                3d
                   -2 :              -0.00000965771130
                   -1 :              -0.00000170607500
                   +0 :              -0.00001625810427
                   +1 :               0.00000475695274
                   +2 :               0.00000483560559
              9 vec=     7.570358    -13.112843      8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00000747287905
                2s
                   +0 :              -0.00004396911836
                3s
                   +0 :               0.00005659727738
                2p
                   -1 :              -0.00006442328420
                   +0 :               0.00006120316405
                   +1 :              -0.00001320057627
                3p
                   -1 :               0.00002261851153
                   +0 :              -0.00004160100283
                   +1 :               0.00003847284169
                3d
                   -2 :              -0.00000500393897
                   -1 :               0.00000633969933
                   +0 :              -0.00000802024127
                   +1 :               0.00000160047183
                   +2 :               0.00000083169922
             10 vec=    15.350520      0.362794      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00001551430422
                2s
                   +0 :               0.00013714215068
                3s
                   +0 :              -0.00002872686516
                2p
                   -1 :              -0.00001196248648
                   +0 :               0.00000073199296
                   +1 :               0.00014073700326
                3p
                   -1 :               0.00003080731145
                   +0 :               0.00002916856311
                   +1 :              -0.00005083924439
                3d
                   -2 :               0.00000507368333
                   -1 :               0.00000081615090
                   +0 :               0.00000114780745
                   +1 :               0.00000223701286
                   +2 :               0.00000036119698
             11 vec=    -7.989968    -13.112843      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000679522527
                2s
                   +0 :               0.00007557048309
                3s
                   +0 :              -0.00000979799697
                2p
                   -1 :              -0.00004835717750
                   +0 :               0.00003010150038
                   +1 :               0.00009069896659
                3p
                   -1 :              -0.00000050281869
                   +0 :               0.00000907116731
                   +1 :              -0.00008915095970
                3d
                   -2 :               0.00000544743790
                   -1 :              -0.00000632836959
                   +0 :              -0.00000547242470
                   +1 :              -0.00000233258073
                   +2 :               0.00000057990600
             12 vec=     7.570358     13.838431      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000122780678
                2s
                   +0 :               0.00004264228243
                3s
                   +0 :               0.00001848207011
                2p
                   -1 :               0.00001874747417
                   +0 :               0.00003060546211
                   +1 :               0.00002649442603
                3p
                   -1 :               0.00002748531123
                   +0 :               0.00000995268782
                   +1 :               0.00001847697983
                3d
                   -2 :               0.00000575559113
                   -1 :               0.00000377180323
                   +0 :               0.00000331318669
                   +1 :               0.00000766865738
                   +2 :               0.00000258539352
             13 vec=   -15.770130      0.362794      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00001343695912
                2s
                   +0 :               0.00009911381183
                3s
                   +0 :              -0.00002089106446
                2p
                   -1 :              -0.00001140492545
                   +0 :               0.00002089113178
                   +1 :              -0.00001723549507
                3p
                   -1 :               0.00003587581220
                   +0 :               0.00002896135144
                   +1 :              -0.00001468887564
                3d
                   -2 :              -0.00000154587925
                   -1 :               0.00000236209476
                   +0 :               0.00000210271262
                   +1 :               0.00000001292187
                   +2 :               0.00000073078852
             14 vec=    -7.989968     13.838431      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000382698641
                2s
                   +0 :               0.00000337475054
                3s
                   +0 :               0.00001368665931
                2p
                   -1 :              -0.00002085980933
                   +0 :               0.00004445651868
                   +1 :              -0.00002705829181
                3p
                   -1 :               0.00003560082826
                   +0 :              -0.00003279501486
                   +1 :               0.00000557217738
                3d
                   -2 :               0.00000040985150
                   -1 :              -0.00000028717609
                   +0 :              -0.00000156847369
                   +1 :               0.00000290480652
                   +2 :               0.00000365233156
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 26)  npairs=  15
              1 vec=    -4.976970      0.362794      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00028919278030
                2s
                   +0 :               0.00332156833867
                3s
                   +0 :              -0.00015495241768
                2p
                   -1 :               0.00449378411924
                   +0 :               0.00363930668844
                   +1 :              -0.00069770788029
                3p
                   -1 :              -0.00158538252302
                   +0 :              -0.00035407715256
                   +1 :              -0.00075313303482
                3d
                   -2 :              -0.00005582616767
                   -1 :               0.00000219728834
                   +0 :               0.00002005544069
                   +1 :              -0.00012661968398
                   +2 :              -0.00007379218478
              2 vec=     2.803193     -4.129085      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00032284006923
                2s
                   +0 :               0.00245692444262
                3s
                   +0 :              -0.00033482994099
                2p
                   -1 :              -0.00131778964079
                   +0 :               0.00348543557580
                   +1 :               0.00017293858488
                3p
                   -1 :              -0.00112198738401
                   +0 :              -0.00056879224997
                   +1 :              -0.00079449921842
                3d
                   -2 :               0.00003741617642
                   -1 :              -0.00031838870999
                   +0 :               0.00013837070586
                   +1 :              -0.00013817839903
                   +2 :              -0.00016840007384
              3 vec=     2.803193      4.854673      8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00028192899076
                2s
                   +0 :               0.00270230968746
                3s
                   +0 :              -0.00003826414189
                2p
                   -1 :               0.00095800344477
                   +0 :               0.00143206415625
                   +1 :               0.00254772748510
                3p
                   -1 :               0.00004356757802
                   +0 :               0.00098777615849
                   +1 :              -0.00040699792368
                3d
                   -2 :               0.00001926245210
                   -1 :              -0.00005251051918
                   +0 :               0.00011905082701
                   +1 :               0.00019100394441
                   +2 :               0.00007470399780
              4 vec=    -4.976970     -8.620964      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00011949832849
                2s
                   +0 :               0.00101943563540
                3s
                   +0 :              -0.00047277045302
                2p
                   -1 :              -0.00052670857392
                   +0 :              -0.00016713994977
                   +1 :              -0.00034498705877
                3p
                   -1 :               0.00053249424626
                   +0 :              -0.00006806524406
                   +1 :               0.00003257078179
                3d
                   -2 :              -0.00000671886862
                   -1 :               0.00007939820536
                   +0 :               0.00000146505349
                   +1 :               0.00000406411227
                   +2 :               0.00005477543640
              5 vec=    -4.976970      9.346552      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00000977478990
                2s
                   +0 :               0.00019326557247
                3s
                   +0 :              -0.00000844279809
                2p
                   -1 :               0.00016313859377
                   +0 :              -0.00024936084899
                   +1 :               0.00020287049548
                3p
                   -1 :              -0.00005452088817
                   +0 :               0.00020163348371
                   +1 :              -0.00015031015196
                3d
                   -2 :               0.00000251687073
                   -1 :              -0.00000171831912
                   +0 :               0.00004077845875
                   +1 :               0.00000858403094
                   +2 :               0.00002330181581
              6 vec=    10.583355      0.362794      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00004653296718
                2s
                   +0 :               0.00057802287204
                3s
                   +0 :              -0.00007601442793
                2p
                   -1 :              -0.00008452199582
                   +0 :               0.00002378649913
                   +1 :               0.00026390042778
                3p
                   -1 :              -0.00000473759156
                   +0 :              -0.00006726720308
                   +1 :               0.00005586162745
                3d
                   -2 :              -0.00000381321183
                   -1 :              -0.00002466985321
                   +0 :              -0.00001160984598
                   +1 :              -0.00000908221885
                   +2 :               0.00001203369756
              7 vec=   -12.757133     -4.129085      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00000975665584
                2s
                   +0 :               0.00012636622067
                3s
                   +0 :              -0.00001796165503
                2p
                   -1 :              -0.00006328369264
                   +0 :               0.00009663509580
                   +1 :              -0.00022039753544
                3p
                   -1 :               0.00004422845742
                   +0 :              -0.00004762689288
                   +1 :               0.00010717710852
                3d
                   -2 :              -0.00000486791671
                   -1 :              -0.00000569508155
                   +0 :              -0.00000997445730
                   +1 :               0.00000208766202
                   +2 :              -0.00000203474485
              8 vec=     2.803193    -13.112843      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00003263242741
                2s
                   +0 :              -0.00019222602840
                3s
                   +0 :               0.00015135701523
                2p
                   -1 :               0.00027858179188
                   +0 :              -0.00013003965748
                   +1 :               0.00011560324991
                3p
                   -1 :              -0.00028904380410
                   +0 :               0.00013547941137
                   +1 :              -0.00003263870392
                3d
                   -2 :              -0.00001006120276
                   -1 :              -0.00001510766568
                   +0 :               0.00000350391053
                   +1 :               0.00000553824447
                   +2 :               0.00000364994479
              9 vec=   -12.757133      4.854673      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00002060626643
                2s
                   +0 :              -0.00009860390180
                3s
                   +0 :               0.00009227421253
                2p
                   -1 :              -0.00000402636086
                   +0 :               0.00009399491029
                   +1 :              -0.00002621441050
                3p
                   -1 :              -0.00002669335196
                   +0 :              -0.00006439429702
                   +1 :              -0.00005660349853
                3d
                   -2 :               0.00000124614306
                   -1 :              -0.00000263308968
                   +0 :               0.00000366290039
                   +1 :               0.00001185018493
                   +2 :               0.00000783953391
             10 vec=    10.583355     -8.620964      8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00000724127103
                2s
                   +0 :               0.00005623473173
                3s
                   +0 :              -0.00001418453436
                2p
                   -1 :               0.00006049652276
                   +0 :              -0.00004417664759
                   +1 :               0.00007323729732
                3p
                   -1 :              -0.00006522075010
                   +0 :               0.00002906796073
                   +1 :              -0.00007393789099
                3d
                   -2 :              -0.00000186898277
                   -1 :               0.00000212011831
                   +0 :               0.00000295504316
                   +1 :               0.00000324952530
                   +2 :              -0.00000584917510
             11 vec=     2.803193     13.838431      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000906021722
                2s
                   +0 :               0.00006649468545
                3s
                   +0 :               0.00000318035994
                2p
                   -1 :               0.00009518782015
                   +0 :              -0.00004557924870
                   +1 :               0.00000113899274
                3p
                   -1 :              -0.00004024512295
                   +0 :               0.00004574429608
                   +1 :               0.00001738749629
                3d
                   -2 :               0.00000597053049
                   -1 :               0.00000236402615
                   +0 :              -0.00000029003832
                   +1 :              -0.00000162993655
                   +2 :               0.00000029789657
             12 vec=    10.583355      9.346552      8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000477046982
                2s
                   +0 :              -0.00001424832014
                3s
                   +0 :               0.00002995372715
                2p
                   -1 :               0.00002141491919
                   +0 :              -0.00012786309224
                   +1 :               0.00004926522107
                3p
                   -1 :               0.00002903275992
                   +0 :               0.00011669832060
                   +1 :              -0.00000472837454
                3d
                   -2 :               0.00000144107594
                   -1 :               0.00000763805355
                   +0 :               0.00000734540061
                   +1 :               0.00000070549533
                   +2 :              -0.00000295142331
             13 vec=    -4.976970      0.362794    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00004030246397
                2s
                   +0 :              -0.00033665874829
                3s
                   +0 :               0.00008963080471
                2p
                   -1 :               0.00011628035071
                   +0 :               0.00026551389624
                   +1 :              -0.00004102722208
                3p
                   -1 :              -0.00008121380328
                   +0 :              -0.00011270295084
                   +1 :               0.00001539905366
                3d
                   -2 :              -0.00000025230617
                   -1 :               0.00000346126994
                   +0 :               0.00000516169786
                   +1 :               0.00000479594494
                   +2 :               0.00000408905571
             14 vec=     2.803193     -4.129085    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00003000865255
                2s
                   +0 :              -0.00024182331560
                3s
                   +0 :               0.00006264473523
                2p
                   -1 :               0.00015017417227
                   +0 :               0.00028190941109
                   +1 :              -0.00016305098886
                3p
                   -1 :              -0.00012172753139
                   +0 :              -0.00015293379977
                   +1 :               0.00008284206441
                3d
                   -2 :               0.00000655263651
                   -1 :               0.00000787350613
                   +0 :               0.00000117565700
                   +1 :              -0.00000186306346
                   +2 :              -0.00000709045156
             15 vec=     2.803193      4.854673    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00001143565663
                2s
                   +0 :              -0.00012644691299
                3s
                   +0 :               0.00000467445712
                2p
                   -1 :              -0.00003297721116
                   +0 :               0.00006286464034
                   +1 :               0.00010030999803
                3p
                   -1 :              -0.00002349430116
                   +0 :               0.00005329838882
                   +1 :              -0.00003843378288
                3d
                   -2 :               0.00000095876380
                   -1 :               0.00000499500297
                   +0 :              -0.00000626546369
                   +1 :              -0.00000070877886
                   +2 :              -0.00000240580761
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 27)  npairs=  15
              1 vec=    -2.593388      4.491280      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00017649026340
                2s
                   +0 :               0.00150595834359
                3s
                   +0 :               0.00013019325763
                2p
                   -1 :              -0.00168187969973
                   +0 :               0.00056176847694
                   +1 :              -0.00141719866838
                3p
                   -1 :               0.00163185539621
                   +0 :               0.00101712483199
                   +1 :              -0.00035471258391
                3d
                   -2 :              -0.00002381191016
                   -1 :               0.00008762209042
                   +0 :               0.00004620318141
                   +1 :              -0.00021923924092
                   +2 :               0.00003739963180
              2 vec=     5.186775     -0.000599      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00056879844534
                2s
                   +0 :               0.00546589584732
                3s
                   +0 :              -0.00087425808572
                2p
                   -1 :               0.00279056635588
                   +0 :               0.00748358752739
                   +1 :               0.00346179725965
                3p
                   -1 :              -0.00074149702753
                   +0 :              -0.00139907997416
                   +1 :              -0.00045139363696
                3d
                   -2 :               0.00018747432366
                   -1 :               0.00013681388636
                   +0 :               0.00018361462010
                   +1 :               0.00026572533841
                   +2 :               0.00004132374984
              3 vec=    -2.593388     -4.492478      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00031855971523
                2s
                   +0 :               0.00314026827445
                3s
                   +0 :              -0.00053602906353
                2p
                   -1 :              -0.00218014881474
                   +0 :               0.00241681057317
                   +1 :               0.00116310962056
                3p
                   -1 :              -0.00017677279076
                   +0 :              -0.00048801393175
                   +1 :               0.00001680659784
                3d
                   -2 :              -0.00007389066577
                   -1 :              -0.00017299530736
                   +0 :              -0.00000154913728
                   +1 :               0.00007243143829
                   +2 :              -0.00008136237144
              4 vec=     5.186775      8.983159      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00001232234931
                2s
                   +0 :               0.00040008147309
                3s
                   +0 :              -0.00004278901753
                2p
                   -1 :               0.00035095211536
                   +0 :              -0.00040080894197
                   +1 :              -0.00017863061481
                3p
                   -1 :              -0.00006271917908
                   +0 :               0.00015987203069
                   +1 :               0.00016840853428
                3d
                   -2 :               0.00002449818491
                   -1 :              -0.00001773594208
                   +0 :              -0.00003354640457
                   +1 :               0.00001574645391
                   +2 :              -0.00001665441060
              5 vec=   -10.373550     -0.000599      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000086375951
                2s
                   +0 :               0.00014287850765
                3s
                   +0 :               0.00005164485330
                2p
                   -1 :              -0.00026870492082
                   +0 :              -0.00041449633681
                   +1 :              -0.00018211024856
                3p
                   -1 :               0.00011921962677
                   +0 :               0.00037485813354
                   +1 :               0.00013588828365
                3d
                   -2 :              -0.00000362100405
                   -1 :               0.00002258341799
                   +0 :               0.00002915939167
                   +1 :              -0.00000464137385
                   +2 :              -0.00000988156094
              6 vec=     5.186775     -8.984357      8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00001556537710
                2s
                   +0 :               0.00003843864776
                3s
                   +0 :               0.00003464752306
                2p
                   -1 :              -0.00050373762411
                   +0 :              -0.00038543564214
                   +1 :              -0.00019293824115
                3p
                   -1 :               0.00045893733494
                   +0 :               0.00017487364307
                   +1 :               0.00034694190695
                3d
                   -2 :               0.00002836997616
                   -1 :               0.00003250812844
                   +0 :               0.00002773858422
                   +1 :               0.00001047364429
                   +2 :               0.00002414336137
              7 vec=    -2.593388     13.475038      8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00000438801690
                2s
                   +0 :               0.00008376284567
                3s
                   +0 :              -0.00000485148932
                2p
                   -1 :               0.00017473826787
                   +0 :               0.00000780770377
                   +1 :              -0.00016614260376
                3p
                   -1 :              -0.00010400516978
                   +0 :               0.00000352796871
                   +1 :               0.00011837366135
                3d
                   -2 :               0.00000714818901
                   -1 :               0.00000198804115
                   +0 :              -0.00000012518518
                   +1 :               0.00000184807004
                   +2 :               0.00000096753795
              8 vec=   -10.373550      8.983159      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001833651238
                2s
                   +0 :               0.00019324649801
                3s
                   +0 :              -0.00005597043504
                2p
                   -1 :               0.00002873994234
                   +0 :               0.00015687237363
                   +1 :              -0.00016641399953
                3p
                   -1 :               0.00006219656821
                   +0 :              -0.00012068752186
                   +1 :               0.00009941706476
                3d
                   -2 :               0.00000773054613
                   -1 :              -0.00001686954329
                   +0 :              -0.00000690143555
                   +1 :               0.00001356893172
                   +2 :              -0.00002079707937
              9 vec=    12.966938      4.491280      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000265606837
                2s
                   +0 :              -0.00002027705891
                3s
                   +0 :               0.00003241632182
                2p
                   -1 :               0.00000986996132
                   +0 :              -0.00007400790389
                   +1 :               0.00010486943547
                3p
                   -1 :              -0.00000969282623
                   +0 :               0.00005276673876
                   +1 :              -0.00003744557377
                3d
                   -2 :               0.00000361092927
                   -1 :              -0.00000310495867
                   +0 :               0.00001048192527
                   +1 :               0.00000168463903
                   +2 :               0.00000171950043
             10 vec=    12.966938     -4.492478      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000622058222
                2s
                   +0 :               0.00003691820997
                3s
                   +0 :              -0.00001164285332
                2p
                   -1 :              -0.00010930005212
                   +0 :              -0.00002404762146
                   +1 :               0.00004368740974
                3p
                   -1 :               0.00008090796260
                   +0 :               0.00000292819633
                   +1 :              -0.00002010599877
                3d
                   -2 :               0.00000040604357
                   -1 :               0.00000444860808
                   +0 :              -0.00000055704716
                   +1 :              -0.00000295211035
                   +2 :               0.00000054122387
             11 vec=   -10.373550     -8.984357      8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00001092904175
                2s
                   +0 :              -0.00001784629780
                3s
                   +0 :               0.00002846086652
                2p
                   -1 :               0.00001617970676
                   +0 :               0.00010561046363
                   +1 :               0.00006267190670
                3p
                   -1 :              -0.00004682400853
                   +0 :              -0.00007614057640
                   +1 :              -0.00007047870416
                3d
                   -2 :              -0.00000210201606
                   -1 :               0.00000685063245
                   +0 :              -0.00000000887186
                   +1 :               0.00000311591793
                   +2 :              -0.00000121648787
             12 vec=    -2.593388    -13.476236      8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00002765238140
                2s
                   +0 :              -0.00015046503178
                3s
                   +0 :               0.00011496326817
                2p
                   -1 :               0.00022465817502
                   +0 :              -0.00000760007702
                   +1 :              -0.00002072261272
                3p
                   -1 :              -0.00024611800320
                   +0 :               0.00002223412307
                   +1 :              -0.00003785865122
                3d
                   -2 :               0.00001626625451
                   -1 :              -0.00001042666940
                   +0 :              -0.00002515848430
                   +1 :              -0.00001241453738
                   +2 :              -0.00000923328300
             13 vec=    -2.593388      4.491280    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000472024149
                2s
                   +0 :              -0.00006251943772
                3s
                   +0 :              -0.00001759098338
                2p
                   -1 :              -0.00005498758371
                   +0 :              -0.00000920542857
                   +1 :              -0.00019232507044
                3p
                   -1 :               0.00000932525306
                   +0 :               0.00010568606672
                   +1 :               0.00009671232998
                3d
                   -2 :               0.00000401413281
                   -1 :              -0.00000217114560
                   +0 :              -0.00000511535919
                   +1 :               0.00000126360394
                   +2 :              -0.00000411774066
             14 vec=     5.186775     -0.000599    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003741878909
                2s
                   +0 :              -0.00028133147195
                3s
                   +0 :               0.00009954407006
                2p
                   -1 :              -0.00005373614471
                   +0 :               0.00013264739444
                   +1 :               0.00001642249296
                3p
                   -1 :               0.00008008213823
                   +0 :              -0.00003872846530
                   +1 :              -0.00002660320296
                3d
                   -2 :               0.00000591422533
                   -1 :              -0.00001036397059
                   +0 :               0.00000888066715
                   +1 :               0.00000223904374
                   +2 :              -0.00000556201001
             15 vec=    -2.593388     -4.492478    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001662627992
                2s
                   +0 :              -0.00019976583051
                3s
                   +0 :               0.00001530036697
                2p
                   -1 :              -0.00010000951058
                   +0 :               0.00014299481986
                   +1 :               0.00002443308207
                3p
                   -1 :               0.00011667510038
                   +0 :               0.00000468611289
                   +1 :               0.00002461507602
                3d
                   -2 :              -0.00000219877274
                   -1 :              -0.00000471463494
                   +0 :               0.00000027797340
                   +1 :              -0.00000647431197
                   +2 :               0.00000240919298
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 28)  npairs=  14
              1 vec=     2.802674     -1.376461     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00231003929541
                2s
                   +0 :              -0.05969282702663
                3s
                   +0 :               0.00342530240209
                2p
                   -1 :               0.01439637328514
                   +0 :               0.02395479252520
                   +1 :              -0.02129506838847
                3p
                   -1 :              -0.00349737086579
                   +0 :               0.00297408278673
                   +1 :              -0.00308542889975
                3d
                   -2 :               0.00089573272393
                   -1 :              -0.00194072583130
                   +0 :              -0.00148449050867
                   +1 :               0.00251621968813
                   +2 :              -0.00060157754937
              2 vec=    -4.977489      3.115418     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00009932214403
                2s
                   +0 :               0.00160617639705
                3s
                   +0 :              -0.00051446560602
                2p
                   -1 :               0.00078047040500
                   +0 :               0.00167310074511
                   +1 :               0.00032003501227
                3p
                   -1 :              -0.00113281591142
                   +0 :              -0.00124549203228
                   +1 :               0.00045070691013
                3d
                   -2 :              -0.00007603235324
                   -1 :              -0.00003963344527
                   +0 :               0.00032252139873
                   +1 :               0.00018501864915
                   +2 :               0.00006146445105
              3 vec=    -4.977489     -5.868340     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00027150780577
                2s
                   +0 :               0.00279774361710
                3s
                   +0 :              -0.00099279391776
                2p
                   -1 :               0.00069426296762
                   +0 :              -0.00340414449932
                   +1 :              -0.00258360754043
                3p
                   -1 :               0.00020789346067
                   +0 :               0.00079254215925
                   +1 :               0.00131737429906
                3d
                   -2 :              -0.00003563560002
                   -1 :               0.00020176745896
                   +0 :               0.00010352932502
                   +1 :              -0.00007432918710
                   +2 :               0.00008494774456
              4 vec=     2.802674      7.607297     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00013670928705
                2s
                   +0 :               0.00065813134887
                3s
                   +0 :              -0.00054733737644
                2p
                   -1 :              -0.00259283258083
                   +0 :              -0.00109320514253
                   +1 :              -0.00042107313456
                3p
                   -1 :               0.00178414792498
                   +0 :               0.00004594460410
                   +1 :              -0.00061060264827
                3d
                   -2 :              -0.00011424481118
                   -1 :              -0.00013084722942
                   +0 :              -0.00001313801568
                   +1 :              -0.00005185975805
                   +2 :              -0.00011297200077
              5 vec=     2.802674    -10.360219     -4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00024369287736
                2s
                   +0 :               0.00129951968600
                3s
                   +0 :              -0.00080556942812
                2p
                   -1 :              -0.00073038089990
                   +0 :               0.00052467937580
                   +1 :               0.00095398490864
                3p
                   -1 :               0.00077938017337
                   +0 :              -0.00052975921660
                   +1 :              -0.00085778568634
                3d
                   -2 :               0.00007472122368
                   -1 :               0.00002470542760
                   +0 :               0.00004560749910
                   +1 :              -0.00001570137054
                   +2 :              -0.00000434712016
              6 vec=    10.582837      3.115418     -4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00002601806306
                2s
                   +0 :              -0.00003330527630
                3s
                   +0 :              -0.00014342784693
                2p
                   -1 :              -0.00009199883980
                   +0 :              -0.00014656493848
                   +1 :              -0.00021333333009
                3p
                   -1 :              -0.00005908003020
                   +0 :               0.00006551721116
                   +1 :               0.00003309100452
                3d
                   -2 :              -0.00000475091350
                   -1 :               0.00000319098739
                   +0 :               0.00001976236172
                   +1 :              -0.00000276294431
                   +2 :              -0.00000947211956
              7 vec=    10.582837     -5.868340     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00001612581349
                2s
                   +0 :              -0.00004608269131
                3s
                   +0 :              -0.00012741136589
                2p
                   -1 :               0.00009287847038
                   +0 :              -0.00006023735176
                   +1 :               0.00040242841726
                3p
                   -1 :               0.00005150514164
                   +0 :               0.00017703240167
                   +1 :              -0.00031986183744
                3d
                   -2 :              -0.00000368078868
                   -1 :              -0.00003338791224
                   +0 :               0.00004119138708
                   +1 :              -0.00000682472652
                   +2 :              -0.00000393868991
              8 vec=   -12.757651     -1.376461     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00007367350367
                2s
                   +0 :              -0.00082969962642
                3s
                   +0 :               0.00018073096272
                2p
                   -1 :              -0.00009580157841
                   +0 :              -0.00017495712436
                   +1 :               0.00082391612421
                3p
                   -1 :               0.00006962514749
                   +0 :               0.00010810129614
                   +1 :              -0.00027213576017
                3d
                   -2 :              -0.00002889540044
                   -1 :               0.00001500931764
                   +0 :               0.00001836194761
                   +1 :              -0.00001610424657
                   +2 :              -0.00002089032980
              9 vec=    -4.977489     12.099176     -4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00002047879030
                2s
                   +0 :              -0.00015070009153
                3s
                   +0 :              -0.00014833582373
                2p
                   -1 :              -0.00039577958454
                   +0 :               0.00004525147902
                   +1 :               0.00027424002410
                3p
                   -1 :               0.00008621719762
                   +0 :              -0.00007235721659
                   +1 :              -0.00005739813027
                3d
                   -2 :               0.00001640269209
                   -1 :              -0.00003251795039
                   +0 :               0.00000932871006
                   +1 :               0.00000071074193
                   +2 :               0.00001321854699
             10 vec=   -12.757651      7.607297     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00004576589004
                2s
                   +0 :               0.00026157579707
                3s
                   +0 :              -0.00013258704616
                2p
                   -1 :               0.00002609782777
                   +0 :              -0.00000329861263
                   +1 :              -0.00015029591630
                3p
                   -1 :              -0.00002787052597
                   +0 :              -0.00000887210424
                   +1 :               0.00014368184307
                3d
                   -2 :               0.00000547176590
                   -1 :              -0.00000090365262
                   +0 :              -0.00000271328212
                   +1 :              -0.00000311097815
                   +2 :              -0.00000864617838
             11 vec=    -4.977489    -14.852098     -4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00000577497462
                2s
                   +0 :               0.00002664374827
                3s
                   +0 :              -0.00005636530426
                2p
                   -1 :              -0.00014043365699
                   +0 :              -0.00004214673694
                   +1 :              -0.00016619692610
                3p
                   -1 :               0.00018669386610
                   +0 :               0.00002897493647
                   +1 :               0.00019463164499
                3d
                   -2 :              -0.00002770051237
                   -1 :              -0.00000455551731
                   +0 :               0.00000746966224
                   +1 :              -0.00000425370345
                   +2 :               0.00000697133372
             12 vec=    10.582837     12.099176     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00000330342215
                2s
                   +0 :               0.00000513250629
                3s
                   +0 :              -0.00002278227489
                2p
                   -1 :               0.00002035790512
                   +0 :              -0.00004010791172
                   +1 :               0.00013905609161
                3p
                   -1 :              -0.00005157101085
                   +0 :               0.00001493243475
                   +1 :              -0.00014143933775
                3d
                   -2 :              -0.00000809126331
                   -1 :               0.00000113482536
                   +0 :               0.00000826835278
                   +1 :              -0.00000137970683
                   +2 :               0.00000124653290
             13 vec=   -12.757651    -10.360219     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00000918508721
                2s
                   +0 :              -0.00006706573080
                3s
                   +0 :               0.00002997727298
                2p
                   -1 :              -0.00001773752616
                   +0 :               0.00004349858537
                   +1 :               0.00006162901704
                3p
                   -1 :               0.00003787898600
                   +0 :              -0.00004776228462
                   +1 :              -0.00002312863747
                3d
                   -2 :               0.00000191510306
                   -1 :              -0.00000054733267
                   +0 :               0.00000526009375
                   +1 :               0.00000831719014
                   +2 :               0.00000637673380
             14 vec=     2.802674     16.591055     -4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00000124219261
                2s
                   +0 :              -0.00000581922979
                3s
                   +0 :              -0.00001398851883
                2p
                   -1 :              -0.00003776795240
                   +0 :              -0.00005010823646
                   +1 :               0.00005835640526
                3p
                   -1 :               0.00000568767886
                   +0 :               0.00002954532933
                   +1 :              -0.00004748490662
                3d
                   -2 :               0.00000129893308
                   -1 :              -0.00000145661937
                   +0 :              -0.00000307703373
                   +1 :               0.00000122884486
                   +2 :               0.00000410462651
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 29)  npairs=  14
              1 vec=    -0.209286      3.115418     -4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00243694406765
                2s
                   +0 :              -0.05268369920601
                3s
                   +0 :               0.00374481066985
                2p
                   -1 :              -0.02464891925644
                   +0 :               0.02527425343994
                   +1 :               0.00595240590044
                3p
                   -1 :               0.00133894341324
                   +0 :              -0.00026453240916
                   +1 :              -0.00324013788710
                3d
                   -2 :               0.00062142176343
                   -1 :               0.00289878019920
                   +0 :              -0.00097379837838
                   +1 :              -0.00079165100931
                   +2 :               0.00120427653607
              2 vec=    -0.209286     -5.868340     -4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00226763717447
                2s
                   +0 :              -0.01625165221175
                3s
                   +0 :               0.00758630438413
                2p
                   -1 :               0.01511799980320
                   +0 :               0.00575111748138
                   +1 :               0.00121120260581
                3p
                   -1 :              -0.01082957387057
                   +0 :              -0.00449782456433
                   +1 :              -0.00060552096319
                3d
                   -2 :               0.00005133107354
                   -1 :               0.00051619170441
                   +0 :              -0.00036635531299
                   +1 :               0.00002389416414
                   +2 :              -0.00075891442603
              3 vec=     7.570876     -1.376461     -4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00009082117999
                2s
                   +0 :              -0.00079218181144
                3s
                   +0 :              -0.00004467741038
                2p
                   -1 :              -0.00136412751023
                   +0 :              -0.00261007691683
                   +1 :              -0.00523200349092
                3p
                   -1 :               0.00059919941458
                   +0 :               0.00052485236801
                   +1 :               0.00197565376518
                3d
                   -2 :              -0.00001095359786
                   -1 :               0.00004153919179
                   +0 :               0.00012929749230
                   +1 :              -0.00013035721293
                   +2 :              -0.00007416487422
              4 vec=    -7.989449     -1.376461     -4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00014793117011
                2s
                   +0 :              -0.00101566455115
                3s
                   +0 :               0.00012120235135
                2p
                   -1 :              -0.00116244561050
                   +0 :              -0.00188742997040
                   +1 :               0.00195365601329
                3p
                   -1 :               0.00070684758512
                   +0 :               0.00052782895251
                   +1 :               0.00056354081546
                3d
                   -2 :              -0.00008425147583
                   -1 :               0.00001518509490
                   +0 :               0.00014496214964
                   +1 :               0.00003235317597
                   +2 :              -0.00019313755283
              5 vec=     7.570876      7.607297     -4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00004482089396
                2s
                   +0 :              -0.00059034487023
                3s
                   +0 :               0.00018237212478
                2p
                   -1 :              -0.00081929221195
                   +0 :              -0.00019155165382
                   +1 :               0.00012594931552
                3p
                   -1 :               0.00066159676117
                   +0 :               0.00010749366998
                   +1 :              -0.00028100464147
                3d
                   -2 :               0.00005229425706
                   -1 :              -0.00003745731803
                   +0 :              -0.00004651679582
                   +1 :               0.00000321212742
                   +2 :              -0.00004903494692
              6 vec=    -7.989449      7.607297     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00008228643497
                2s
                   +0 :              -0.00055301248931
                3s
                   +0 :               0.00026884367068
                2p
                   -1 :              -0.00006887467792
                   +0 :              -0.00030963840951
                   +1 :               0.00094796522748
                3p
                   -1 :               0.00014270153213
                   +0 :               0.00014667766655
                   +1 :              -0.00086083862080
                3d
                   -2 :              -0.00006549356686
                   -1 :              -0.00000079536401
                   +0 :              -0.00003320492294
                   +1 :               0.00001301229706
                   +2 :              -0.00000711022115
              7 vec=    -0.209286     12.099176     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00000760379519
                2s
                   +0 :              -0.00010154085529
                3s
                   +0 :              -0.00002763223737
                2p
                   -1 :               0.00015541746440
                   +0 :               0.00030212101555
                   +1 :              -0.00006767765552
                3p
                   -1 :              -0.00021547311313
                   +0 :              -0.00015682961668
                   +1 :              -0.00000709448557
                3d
                   -2 :               0.00001546758716
                   -1 :              -0.00002412149762
                   +0 :               0.00000546174179
                   +1 :              -0.00002427507738
                   +2 :              -0.00002896907519
              8 vec=     7.570876    -10.360219     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00002073585836
                2s
                   +0 :              -0.00039407416918
                3s
                   +0 :              -0.00005158096832
                2p
                   -1 :               0.00005319146837
                   +0 :               0.00008465031200
                   +1 :              -0.00017645944001
                3p
                   -1 :               0.00022603457554
                   +0 :              -0.00007364278370
                   +1 :              -0.00003132541177
                3d
                   -2 :               0.00003948909302
                   -1 :               0.00002094603446
                   +0 :               0.00002453886700
                   +1 :              -0.00000018671435
                   +2 :               0.00002091606601
              9 vec=    -7.989449    -10.360219     -4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00000436168676
                2s
                   +0 :              -0.00010782635018
                3s
                   +0 :              -0.00002222786340
                2p
                   -1 :              -0.00003982505733
                   +0 :              -0.00017529752832
                   +1 :               0.00025374425560
                3p
                   -1 :               0.00007207583913
                   +0 :               0.00011740182532
                   +1 :              -0.00015088593520
                3d
                   -2 :               0.00001364012429
                   -1 :              -0.00000586340002
                   +0 :               0.00000356485997
                   +1 :               0.00000247642980
                   +2 :              -0.00000972891524
             10 vec=    -0.209286    -14.852098     -4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00003045019462
                2s
                   +0 :              -0.00019722051516
                3s
                   +0 :               0.00004826424355
                2p
                   -1 :               0.00022509210280
                   +0 :               0.00009388814848
                   +1 :               0.00003291111720
                3p
                   -1 :              -0.00010248580079
                   +0 :              -0.00008522945320
                   +1 :              -0.00001257141429
                3d
                   -2 :              -0.00000780931615
                   -1 :               0.00000626026993
                   +0 :               0.00001238031954
                   +1 :               0.00000795520876
                   +2 :               0.00001654554464
             11 vec=    15.351039      3.115418     -4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00000677804599
                2s
                   +0 :              -0.00005269648227
                3s
                   +0 :              -0.00001035010633
                2p
                   -1 :              -0.00001312991078
                   +0 :              -0.00002317978334
                   +1 :              -0.00002201288580
                3p
                   -1 :              -0.00002314957788
                   +0 :               0.00001041037354
                   +1 :              -0.00002548186539
                3d
                   -2 :              -0.00000520580467
                   -1 :               0.00000620365879
                   +0 :               0.00001022189290
                   +1 :               0.00000365963052
                   +2 :               0.00000623178455
             12 vec=   -15.769612      3.115418     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00001811529345
                2s
                   +0 :               0.00011588290552
                3s
                   +0 :              -0.00005495175284
                2p
                   -1 :              -0.00005002318873
                   +0 :               0.00002754613813
                   +1 :              -0.00011086121757
                3p
                   -1 :               0.00003006860921
                   +0 :              -0.00004526965501
                   +1 :               0.00008846899865
                3d
                   -2 :               0.00000039802984
                   -1 :              -0.00000271533923
                   +0 :               0.00000549547494
                   +1 :               0.00000035265888
                   +2 :              -0.00000184924249
             13 vec=    15.351039     -5.868340     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00000218747595
                2s
                   +0 :              -0.00001714358267
                3s
                   +0 :               0.00000142053996
                2p
                   -1 :              -0.00004422738564
                   +0 :              -0.00008020346574
                   +1 :              -0.00001672984477
                3p
                   -1 :               0.00005545653401
                   +0 :               0.00006350039049
                   +1 :               0.00001529426480
                3d
                   -2 :               0.00000248639740
                   -1 :              -0.00000303581596
                   +0 :              -0.00000433409712
                   +1 :              -0.00000212537646
                   +2 :              -0.00000386269205
             14 vec=   -15.769612     -5.868340     -4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000409214179
                2s
                   +0 :              -0.00002743710752
                3s
                   +0 :               0.00000726486270
                2p
                   -1 :               0.00007372904862
                   +0 :               0.00004125384121
                   +1 :              -0.00001150657850
                3p
                   -1 :              -0.00002483276557
                   +0 :              -0.00005972193206
                   +1 :               0.00000602149301
                3d
                   -2 :               0.00000162171500
                   -1 :               0.00000031354926
                   +0 :               0.00000197081228
                   +1 :               0.00000008753621
                   +2 :               0.00000093840938
WF             site_B          number of pairs
WF( 31)=[O_9_2pz]  to site O ( 30)  npairs=  14
              1 vec=    -2.593388     -1.013967     -4.091257   |vec|=    4.948957
                1s
                   +0 :               0.00265202506192
                2s
                   +0 :              -0.08131849105135
                3s
                   +0 :               0.00477765288219
                2p
                   -1 :               0.01173357009976
                   +0 :               0.04398080407614
                   +1 :               0.03515495212489
                3p
                   -1 :              -0.00198387998912
                   +0 :              -0.00608857418800
                   +1 :              -0.00424510601847
                3d
                   -2 :              -0.00131637905000
                   -1 :              -0.00054631289572
                   +0 :              -0.00098066225447
                   +1 :              -0.00155828816258
                   +2 :              -0.00172570054711
              2 vec=     5.186775      3.477912     -4.091257   |vec|=    7.465715
                1s
                   +0 :               0.00040405113256
                2s
                   +0 :              -0.00302309442980
                3s
                   +0 :               0.00145708143328
                2p
                   -1 :               0.00000756657851
                   +0 :               0.00192548346050
                   +1 :              -0.00373299640041
                3p
                   -1 :              -0.00070415312183
                   +0 :              -0.00077365282291
                   +1 :               0.00220311918695
                3d
                   -2 :               0.00021606888547
                   -1 :               0.00001648678942
                   +0 :              -0.00039641495950
                   +1 :              -0.00013525548510
                   +2 :               0.00006956538690
              3 vec=     5.186775     -5.505846     -4.091257   |vec|=    8.599730
                1s
                   +0 :               0.00024992071326
                2s
                   +0 :              -0.00110350516997
                3s
                   +0 :               0.00085784359921
                2p
                   -1 :               0.00294276695256
                   +0 :              -0.00350640206313
                   +1 :              -0.00109628394630
                3p
                   -1 :              -0.00091051309667
                   +0 :               0.00057992484476
                   +1 :               0.00179902568814
                3d
                   -2 :              -0.00004183204762
                   -1 :               0.00017539498364
                   +0 :               0.00000831924744
                   +1 :              -0.00020880362463
                   +2 :               0.00019697620161
              4 vec=    -2.593388      7.969791     -4.091257   |vec|=    9.326393
                1s
                   +0 :               0.00024023360889
                2s
                   +0 :              -0.00169695420835
                3s
                   +0 :               0.00055609308843
                2p
                   -1 :              -0.00235400293940
                   +0 :               0.00038303148794
                   +1 :               0.00099454974359
                3p
                   -1 :               0.00101487098754
                   +0 :              -0.00122866914663
                   +1 :               0.00010780189355
                3d
                   -2 :               0.00006707368763
                   -1 :              -0.00014995849636
                   +0 :               0.00001501970861
                   +1 :               0.00005327719918
                   +2 :               0.00000140423099
              5 vec=    -2.593388     -9.997725     -4.091257   |vec|=   11.109390
                1s
                   +0 :              -0.00017428412139
                2s
                   +0 :               0.00073007154467
                3s
                   +0 :              -0.00040354547657
                2p
                   -1 :               0.00070909042771
                   +0 :               0.00091326337417
                   +1 :               0.00111023215930
                3p
                   -1 :              -0.00052208691305
                   +0 :              -0.00101273030887
                   +1 :              -0.00090751764572
                3d
                   -2 :               0.00010944017857
                   -1 :               0.00003062468936
                   +0 :              -0.00007991999772
                   +1 :               0.00004557363250
                   +2 :              -0.00006816849794
              6 vec=   -10.373550      3.477912     -4.091257   |vec|=   11.680959
                1s
                   +0 :               0.00005011566676
                2s
                   +0 :              -0.00028811939018
                3s
                   +0 :               0.00006631717365
                2p
                   -1 :              -0.00046000954974
                   +0 :               0.00007331813790
                   +1 :               0.00028826866576
                3p
                   -1 :               0.00040906678363
                   +0 :              -0.00016430638254
                   +1 :              -0.00036423408563
                3d
                   -2 :              -0.00000030213411
                   -1 :               0.00001236512070
                   +0 :               0.00000652582716
                   +1 :              -0.00003277541116
                   +2 :               0.00001983332854
              7 vec=   -10.373550     -5.505846     -4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00001895736367
                2s
                   +0 :              -0.00031223966306
                3s
                   +0 :               0.00003775609634
                2p
                   -1 :               0.00055468285841
                   +0 :               0.00004721980543
                   +1 :              -0.00003933803933
                3p
                   -1 :              -0.00028813052159
                   +0 :               0.00003595035819
                   +1 :              -0.00004378605327
                3d
                   -2 :              -0.00000406704400
                   -1 :               0.00000624696345
                   +0 :              -0.00002433223438
                   +1 :               0.00001943983559
                   +2 :               0.00001060491800
              8 vec=    12.966938     -1.013967     -4.091257   |vec|=   13.634808
                1s
                   +0 :              -0.00000220576506
                2s
                   +0 :              -0.00027353461249
                3s
                   +0 :              -0.00017139788869
                2p
                   -1 :              -0.00029721331630
                   +0 :               0.00002910791740
                   +1 :              -0.00015050460041
                3p
                   -1 :               0.00021733169360
                   +0 :               0.00007934041279
                   +1 :              -0.00037073239582
                3d
                   -2 :               0.00001140045240
                   -1 :              -0.00000681400057
                   +0 :               0.00001256377626
                   +1 :               0.00002806662381
                   +2 :              -0.00005715555474
              9 vec=     5.186775     12.461670     -4.091257   |vec|=   14.104405
                1s
                   +0 :              -0.00000015012005
                2s
                   +0 :              -0.00010527787452
                3s
                   +0 :              -0.00005788282971
                2p
                   -1 :               0.00006683261742
                   +0 :              -0.00005403304837
                   +1 :              -0.00010109763798
                3p
                   -1 :              -0.00021908176558
                   +0 :               0.00004405186616
                   +1 :              -0.00000133192003
                3d
                   -2 :              -0.00001438732525
                   -1 :               0.00000179770577
                   +0 :               0.00002868008588
                   +1 :               0.00001913719615
                   +2 :               0.00001848584795
             10 vec=    12.966938      7.969791     -4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000260738644
                2s
                   +0 :              -0.00004722081767
                3s
                   +0 :              -0.00000431146746
                2p
                   -1 :               0.00004075450796
                   +0 :               0.00001334223225
                   +1 :              -0.00006791783412
                3p
                   -1 :              -0.00008909074606
                   +0 :              -0.00000703143548
                   +1 :               0.00000629894755
                3d
                   -2 :              -0.00000018523175
                   -1 :              -0.00000276080374
                   +0 :              -0.00000194698167
                   +1 :              -0.00000225198590
                   +2 :               0.00000595504319
             11 vec=     5.186775    -14.489604     -4.091257   |vec|=   15.924498
                1s
                   +0 :               0.00005989992025
                2s
                   +0 :              -0.00037888098193
                3s
                   +0 :               0.00016407114520
                2p
                   -1 :               0.00013064972095
                   +0 :               0.00017775556081
                   +1 :              -0.00002879497474
                3p
                   -1 :              -0.00004898833599
                   +0 :              -0.00017127289913
                   +1 :               0.00002334568569
                3d
                   -2 :              -0.00000745002032
                   -1 :               0.00002309676044
                   +0 :               0.00001029274418
                   +1 :              -0.00001175195446
                   +2 :               0.00000055706579
             12 vec=   -10.373550     12.461670     -4.091257   |vec|=   16.722504
                1s
                   +0 :              -0.00002360860332
                2s
                   +0 :               0.00015117900775
                3s
                   +0 :              -0.00008223397706
                2p
                   -1 :               0.00004517451094
                   +0 :              -0.00006726913198
                   +1 :               0.00001188008054
                3p
                   -1 :              -0.00002143931359
                   +0 :               0.00004360106906
                   +1 :               0.00001193159912
                3d
                   -2 :               0.00000088336767
                   -1 :              -0.00000060478183
                   +0 :               0.00000188410098
                   +1 :              -0.00000283440139
                   +2 :               0.00000329958443
             13 vec=    12.966938     -9.997725     -4.091257   |vec|=   16.877036
                1s
                   +0 :               0.00000923661988
                2s
                   +0 :              -0.00007762524004
                3s
                   +0 :               0.00001569687899
                2p
                   -1 :               0.00004828878562
                   +0 :              -0.00006358440225
                   +1 :               0.00000533240293
                3p
                   -1 :              -0.00002575111177
                   +0 :               0.00004682086524
                   +1 :              -0.00004251364654
                3d
                   -2 :               0.00000728570452
                   -1 :              -0.00000914295444
                   +0 :              -0.00000053743377
                   +1 :               0.00000448009798
                   +2 :              -0.00000657373139
             14 vec=    -2.593388     16.953549     -4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00000445716465
                2s
                   +0 :              -0.00004147374843
                3s
                   +0 :               0.00000778753974
                2p
                   -1 :              -0.00002488418027
                   +0 :              -0.00001316386625
                   +1 :              -0.00004736957979
                3p
                   -1 :               0.00000359193697
                   +0 :               0.00000602704702
                   +1 :               0.00002350151054
                3d
                   -2 :              -0.00000574687217
                   -1 :              -0.00000008563376
                   +0 :              -0.00000033132510
                   +1 :              -0.00000013244554
                   +2 :              -0.00000042102193
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al(  1)  npairs=  14
              1 vec=     2.593388      1.738956     -5.671791   |vec|=    6.474477
                2s
                   +0 :              -0.00218445228519
                2p
                   -1 :              -0.00088165524717
                   +0 :               0.00177994730292
                   +1 :              -0.00017407613109
                3s
                   +0 :               0.00616248948436
                4s
                   +0 :              -0.00452204775605
                3p
                   -1 :               0.00417467591058
                   +0 :              -0.01281985648710
                   +1 :               0.00096745592726
                4p
                   -1 :              -0.00106604524400
                   +0 :               0.00539322124451
                   +1 :              -0.00073523028792
                3d
                   -2 :               0.00147152767031
                   -1 :               0.00039889881122
                   +0 :               0.00309628725294
                   +1 :              -0.00210162424066
                   +2 :               0.00108298803597
              2 vec=    -5.186775     -2.752923     -5.671791   |vec|=    8.163972
                2s
                   +0 :              -0.00050768225361
                2p
                   -1 :               0.00050368409212
                   +0 :              -0.00018141679976
                   +1 :              -0.00022472465840
                3s
                   +0 :              -0.00449065489065
                4s
                   +0 :               0.00024757477612
                3p
                   -1 :              -0.00094017058433
                   +0 :              -0.00101472379982
                   +1 :               0.00490003202531
                4p
                   -1 :               0.00066103999484
                   +0 :              -0.00015783031188
                   +1 :              -0.00022654940777
                3d
                   -2 :              -0.00136603249991
                   -1 :               0.00089536206653
                   +0 :               0.00191265465907
                   +1 :               0.00043911822215
                   +2 :              -0.00118042620103
              3 vec=     2.593388     -7.244802     -5.671791   |vec|=    9.559395
                2s
                   +0 :               0.00067885741156
                2p
                   -1 :              -0.00036770388162
                   +0 :              -0.00044414648221
                   +1 :               0.00076108698236
                3s
                   +0 :              -0.00218819073677
                4s
                   +0 :               0.00081071514442
                3p
                   -1 :               0.00246689587905
                   +0 :               0.00137361061988
                   +1 :              -0.00312448706512
                4p
                   -1 :              -0.00079332162114
                   +0 :              -0.00025822482731
                   +1 :               0.00051257347694
                3d
                   -2 :               0.00043575966244
                   -1 :              -0.00036248137245
                   +0 :               0.00032038506136
                   +1 :               0.00035636767562
                   +2 :               0.00000932924229
              4 vec=    -5.186775      6.230835     -5.671791   |vec|=    9.894198
                2s
                   +0 :              -0.00133619686456
                2p
                   -1 :              -0.00114918185232
                   +0 :              -0.00040367123135
                   +1 :              -0.00078061543706
                3s
                   +0 :               0.00338890108788
                4s
                   +0 :              -0.00071005910067
                3p
                   -1 :               0.00478438268868
                   +0 :               0.00294531080428
                   +1 :               0.00407764971129
                4p
                   -1 :              -0.00062105077435
                   +0 :              -0.00132363050230
                   +1 :              -0.00097639458756
                3d
                   -2 :               0.00047515447179
                   -1 :               0.00026313634445
                   +0 :              -0.00072517497199
                   +1 :              -0.00067825398429
                   +2 :              -0.00077744478566
              5 vec=    10.373550     -2.752923     -5.671791   |vec|=   12.139125
                2s
                   +0 :               0.00032518407539
                2p
                   -1 :              -0.00018106539665
                   +0 :              -0.00011561007742
                   +1 :               0.00021551517406
                3s
                   +0 :              -0.00075636544481
                4s
                   +0 :               0.00038762658121
                3p
                   -1 :               0.00071236236043
                   +0 :               0.00040163653727
                   +1 :              -0.00089895876825
                4p
                   -1 :              -0.00023917500957
                   +0 :              -0.00017882676687
                   +1 :               0.00024173507149
                3d
                   -2 :               0.00009501562962
                   -1 :              -0.00015617660415
                   +0 :               0.00003999688592
                   +1 :               0.00011312189956
                   +2 :              -0.00002721274243
              6 vec=     2.593388     10.722714     -5.671791   |vec|=   12.404494
                2s
                   +0 :              -0.00008821548068
                2p
                   -1 :              -0.00012991515858
                   +0 :               0.00005766158403
                   +1 :               0.00011431756572
                3s
                   +0 :               0.00050530601897
                4s
                   +0 :               0.00002479213256
                3p
                   -1 :               0.00079278994137
                   +0 :              -0.00007938488680
                   +1 :              -0.00051015241152
                4p
                   -1 :              -0.00003030768077
                   +0 :              -0.00004868603861
                   +1 :               0.00016109485192
                3d
                   -2 :               0.00007285364469
                   -1 :              -0.00014500796547
                   +0 :              -0.00004996548954
                   +1 :               0.00001214950168
                   +2 :              -0.00032995113062
              7 vec=    10.373550      6.230835     -5.671791   |vec|=   13.364246
                2s
                   +0 :               0.00014945177803
                2p
                   -1 :               0.00005183761386
                   +0 :               0.00003936749785
                   +1 :               0.00000165042747
                3s
                   +0 :              -0.00053913624981
                4s
                   +0 :               0.00021122179101
                3p
                   -1 :              -0.00031236384816
                   +0 :              -0.00011201243462
                   +1 :              -0.00014810171700
                4p
                   -1 :               0.00010708745662
                   +0 :               0.00002563923045
                   +1 :               0.00009712807805
                3d
                   -2 :               0.00007697332800
                   -1 :              -0.00013611933483
                   +0 :               0.00003670045844
                   +1 :               0.00002376520091
                   +2 :              -0.00000104613847
              8 vec=    -5.186775    -11.736681     -5.671791   |vec|=   14.029310
                2s
                   +0 :               0.00021953781340
                2p
                   -1 :               0.00006699610334
                   +0 :              -0.00005163838098
                   +1 :              -0.00011677179661
                3s
                   +0 :              -0.00074888514424
                4s
                   +0 :               0.00016188521988
                3p
                   -1 :              -0.00038481994137
                   +0 :               0.00024074205702
                   +1 :               0.00061867909797
                4p
                   -1 :               0.00014739371966
                   +0 :              -0.00008945816913
                   +1 :              -0.00012382889015
                3d
                   -2 :              -0.00003706200552
                   -1 :               0.00011293936498
                   +0 :               0.00000129416390
                   +1 :              -0.00013633398177
                   +2 :              -0.00013335242381
              9 vec=   -12.966938      1.738956     -5.671791   |vec|=   14.259546
                2s
                   +0 :               0.00000025352656
                2p
                   -1 :              -0.00004086804354
                   +0 :               0.00007674940773
                   +1 :               0.00011960847210
                3s
                   +0 :               0.00001944607391
                4s
                   +0 :              -0.00005181676511
                3p
                   -1 :               0.00019561730616
                   +0 :              -0.00028451678902
                   +1 :              -0.00068541906540
                4p
                   -1 :              -0.00003301637274
                   +0 :               0.00003435567235
                   +1 :               0.00018052818127
                3d
                   -2 :               0.00001704805833
                   -1 :              -0.00015895712778
                   +0 :              -0.00012555726730
                   +1 :               0.00012973314228
                   +2 :               0.00014222419230
             10 vec=   -12.966938     -7.244802     -5.671791   |vec|=   15.899618
                2s
                   +0 :              -0.00019638416094
                2p
                   -1 :               0.00007861501275
                   +0 :               0.00002828543361
                   +1 :               0.00013366267692
                3s
                   +0 :               0.00061009477017
                4s
                   +0 :              -0.00018366184600
                3p
                   -1 :              -0.00040780570976
                   +0 :              -0.00001652009513
                   +1 :              -0.00068434898422
                4p
                   -1 :               0.00009794550421
                   +0 :              -0.00004214617059
                   +1 :               0.00014569480739
                3d
                   -2 :               0.00015986658618
                   -1 :               0.00001162744435
                   +0 :              -0.00008719674359
                   +1 :               0.00007303771249
                   +2 :               0.00006640143351
             11 vec=    10.373550    -11.736681     -5.671791   |vec|=   16.659215
                2s
                   +0 :               0.00004373091343
                2p
                   -1 :              -0.00000302219209
                   +0 :               0.00001154689008
                   +1 :              -0.00001106832701
                3s
                   +0 :               0.00002180106349
                4s
                   +0 :               0.00002809410275
                3p
                   -1 :              -0.00001912723389
                   +0 :              -0.00008744414674
                   +1 :               0.00017313535001
                4p
                   -1 :              -0.00001146198456
                   +0 :               0.00001956377536
                   +1 :              -0.00003515448810
                3d
                   -2 :              -0.00003120583369
                   -1 :               0.00000363845565
                   +0 :              -0.00002067054951
                   +1 :              -0.00000153748472
                   +2 :               0.00001880008959
             12 vec=    -5.186775     15.214593     -5.671791   |vec|=   17.045694
                2s
                   +0 :              -0.00010128788914
                2p
                   -1 :              -0.00006765516201
                   +0 :               0.00003576389511
                   +1 :               0.00001819628020
                3s
                   +0 :               0.00040827905145
                4s
                   +0 :              -0.00012845401007
                3p
                   -1 :               0.00038975887165
                   +0 :              -0.00020915632333
                   +1 :              -0.00012697796015
                4p
                   -1 :              -0.00008755434452
                   +0 :               0.00004570242623
                   +1 :               0.00005650943919
                3d
                   -2 :               0.00001132561673
                   -1 :              -0.00011560735276
                   +0 :               0.00001363627854
                   +1 :               0.00000356767000
                   +2 :              -0.00008198609882
             13 vec=     2.593388    -16.228560     -5.671791   |vec|=   17.385656
                2s
                   +0 :              -0.00001282364421
                2p
                   -1 :               0.00000699032333
                   +0 :              -0.00001858376346
                   +1 :              -0.00002522977081
                3s
                   +0 :              -0.00002159470312
                4s
                   +0 :               0.00002133288181
                3p
                   -1 :               0.00001006573976
                   +0 :               0.00007115639934
                   +1 :               0.00012059427344
                4p
                   -1 :              -0.00001612621044
                   +0 :              -0.00000965940580
                   +1 :              -0.00004496120883
                3d
                   -2 :              -0.00001434888237
                   -1 :              -0.00000563544672
                   +0 :               0.00000309877231
                   +1 :              -0.00000197048177
                   +2 :              -0.00000370685057
             14 vec=   -12.966938     10.722714     -5.671791   |vec|=   17.756331
                2s
                   +0 :               0.00000771380453
                2p
                   -1 :              -0.00001399358764
                   +0 :              -0.00001666606971
                   +1 :              -0.00000949844631
                3s
                   +0 :              -0.00014435084354
                4s
                   +0 :               0.00006037127666
                3p
                   -1 :              -0.00005477152860
                   +0 :               0.00003118881071
                   +1 :               0.00006670898506
                4p
                   -1 :               0.00004453184055
                   +0 :               0.00002081809005
                   +1 :              -0.00000885361891
                3d
                   -2 :              -0.00003033444289
                   -1 :              -0.00003020414109
                   +0 :               0.00001508253247
                   +1 :              -0.00002489452176
                   +2 :              -0.00001528777585
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al(  2)  npairs=  14
              1 vec=     2.593388      1.738956      1.580534   |vec|=    3.499674
                2s
                   +0 :               0.03826942280080
                2p
                   -1 :               0.02221363208895
                   +0 :               0.02360099463239
                   +1 :               0.02800658993066
                3s
                   +0 :               0.07977072847013
                4s
                   +0 :               0.01630970682743
                3p
                   -1 :               0.05606061748267
                   +0 :               0.04434908840927
                   +1 :               0.02330936105768
                4p
                   -1 :               0.00866010753277
                   +0 :               0.01108688604331
                   +1 :               0.01889675862691
                3d
                   -2 :               0.03488362513049
                   -1 :               0.03505430848847
                   +0 :               0.00479924502562
                   +1 :               0.03519956182791
                   +2 :              -0.00649325397505
              2 vec=    -5.186775     -2.752923      1.580534   |vec|=    6.081062
                2s
                   +0 :               0.00343443235749
                2p
                   -1 :              -0.00166214657988
                   +0 :               0.00164755378085
                   +1 :              -0.00151095206068
                3s
                   +0 :              -0.00262414750578
                4s
                   +0 :               0.00463099575539
                3p
                   -1 :               0.00816831259689
                   +0 :              -0.00879307609241
                   +1 :               0.00297027920986
                4p
                   -1 :              -0.00313482870720
                   +0 :               0.00309283090258
                   +1 :              -0.00126197011640
                3d
                   -2 :              -0.00441686037233
                   -1 :               0.00150310728735
                   +0 :               0.00280997670866
                   +1 :               0.00265452867287
                   +2 :              -0.00198175279687
              3 vec=     2.593388     -7.244802      1.580534   |vec|=    7.855629
                2s
                   +0 :               0.00023401574254
                2p
                   -1 :               0.00020108845427
                   +0 :              -0.00073761529957
                   +1 :               0.00016585254053
                3s
                   +0 :               0.00961724375460
                4s
                   +0 :              -0.00011228361364
                3p
                   -1 :              -0.00671658833019
                   +0 :               0.00919334871944
                   +1 :              -0.00151601127828
                4p
                   -1 :              -0.00009049468642
                   +0 :              -0.00091245770195
                   +1 :              -0.00010370677226
                3d
                   -2 :               0.00080019746276
                   -1 :              -0.00394045086044
                   +0 :               0.00045674099715
                   +1 :               0.00030249583969
                   +2 :              -0.00159162641354
              4 vec=    -5.186775      6.230835      1.580534   |vec|=    8.259784
                2s
                   +0 :               0.00063934127115
                2p
                   -1 :              -0.00087370734355
                   +0 :               0.00057534623282
                   +1 :              -0.00047144988486
                3s
                   +0 :              -0.00506284022042
                4s
                   +0 :               0.00138734059130
                3p
                   -1 :               0.00697344168458
                   +0 :              -0.00556111124864
                   +1 :               0.00432220422716
                4p
                   -1 :              -0.00099669675934
                   +0 :               0.00107210754467
                   +1 :              -0.00106125591605
                3d
                   -2 :              -0.00232686208100
                   -1 :               0.00136932922481
                   +0 :              -0.00088762771274
                   +1 :               0.00191576110102
                   +2 :              -0.00195117352463
              5 vec=    10.373550     -2.752923      1.580534   |vec|=   10.848374
                2s
                   +0 :              -0.00046689275858
                2p
                   -1 :              -0.00025539578459
                   +0 :               0.00013804266012
                   +1 :              -0.00050681360226
                3s
                   +0 :               0.00202633630610
                4s
                   +0 :              -0.00037416228348
                3p
                   -1 :               0.00100565223067
                   +0 :               0.00000912939074
                   +1 :               0.00244208148352
                4p
                   -1 :              -0.00031047557817
                   +0 :              -0.00001022176270
                   +1 :              -0.00044699529089
                3d
                   -2 :               0.00034563145646
                   -1 :              -0.00010710285825
                   +0 :              -0.00021671743292
                   +1 :               0.00021271690267
                   +2 :               0.00094213083548
              6 vec=     2.593388     10.722714      1.580534   |vec|=   11.144521
                2s
                   +0 :               0.00038904296126
                2p
                   -1 :              -0.00000011350617
                   +0 :              -0.00019415790513
                   +1 :               0.00010704208220
                3s
                   +0 :              -0.00187795444495
                4s
                   +0 :              -0.00019206804437
                3p
                   -1 :              -0.00002267281249
                   +0 :               0.00051822369103
                   +1 :              -0.00127418577464
                4p
                   -1 :              -0.00030032592108
                   +0 :              -0.00017123691739
                   +1 :               0.00005779311988
                3d
                   -2 :              -0.00081181879446
                   -1 :               0.00037664146348
                   +0 :              -0.00028615077030
                   +1 :              -0.00045349287433
                   +2 :              -0.00020277686705
              7 vec=    10.373550      6.230835      1.580534   |vec|=   12.203767
                2s
                   +0 :              -0.00001695750792
                2p
                   -1 :              -0.00012535124643
                   +0 :               0.00006144659860
                   +1 :               0.00008039999905
                3s
                   +0 :               0.00059106733171
                4s
                   +0 :               0.00004758667275
                3p
                   -1 :               0.00075249181486
                   +0 :               0.00013791823909
                   +1 :               0.00013338865123
                4p
                   -1 :              -0.00030284068353
                   +0 :               0.00007941969821
                   +1 :               0.00011367813409
                3d
                   -2 :               0.00003406548836
                   -1 :              -0.00007287517715
                   +0 :              -0.00006886068088
                   +1 :               0.00006450276555
                   +2 :               0.00009861850065
              8 vec=    -5.186775    -11.736681      1.580534   |vec|=   12.928666
                2s
                   +0 :              -0.00008422785219
                2p
                   -1 :               0.00007340490381
                   +0 :              -0.00013110657034
                   +1 :              -0.00000868413717
                3s
                   +0 :              -0.00080416971571
                4s
                   +0 :               0.00008796909626
                3p
                   -1 :               0.00044570214970
                   +0 :              -0.00004315603705
                   +1 :              -0.00045661041626
                4p
                   -1 :              -0.00003935075202
                   +0 :              -0.00012914280156
                   +1 :              -0.00001122376785
                3d
                   -2 :               0.00026779943614
                   -1 :               0.00017785911007
                   +0 :              -0.00017733827755
                   +1 :              -0.00015162594465
                   +2 :               0.00010659180850
              9 vec=   -12.966938      1.738956      1.580534   |vec|=   13.178146
                2s
                   +0 :               0.00006180748466
                2p
                   -1 :              -0.00016348508806
                   +0 :               0.00007923003911
                   +1 :               0.00002747832724
                3s
                   +0 :              -0.00262990486389
                4s
                   +0 :               0.00005073963079
                3p
                   -1 :              -0.00060588517122
                   +0 :              -0.00231755595504
                   +1 :               0.00113037247626
                4p
                   -1 :              -0.00013792840547
                   +0 :               0.00033150662832
                   +1 :               0.00009570484597
                3d
                   -2 :               0.00040891884670
                   -1 :              -0.00050920834965
                   +0 :              -0.00023411830271
                   +1 :               0.00086312199126
                   +2 :              -0.00004330438100
             10 vec=   -12.966938     -7.244802      1.580534   |vec|=   14.937427
                2s
                   +0 :               0.00015637899291
                2p
                   -1 :              -0.00000175735245
                   +0 :              -0.00002140739663
                   +1 :               0.00000481259258
                3s
                   +0 :              -0.00077914198124
                4s
                   +0 :               0.00013407428938
                3p
                   -1 :               0.00002047041362
                   +0 :              -0.00006220951095
                   +1 :              -0.00001142895050
                4p
                   -1 :               0.00003514794170
                   +0 :              -0.00004622785316
                   +1 :               0.00001500287294
                3d
                   -2 :               0.00005641803572
                   -1 :               0.00003505718650
                   +0 :              -0.00004135155442
                   +1 :              -0.00004950082125
                   +2 :              -0.00000161119020
             11 vec=    10.373550    -11.736681      1.580534   |vec|=   15.743516
                2s
                   +0 :              -0.00006466246288
                2p
                   -1 :              -0.00000193886929
                   +0 :              -0.00000869031899
                   +1 :              -0.00003987522008
                3s
                   +0 :               0.00025110172781
                4s
                   +0 :              -0.00009042539788
                3p
                   -1 :              -0.00005367957585
                   +0 :               0.00009020637198
                   +1 :               0.00025229145059
                4p
                   -1 :               0.00002115060727
                   +0 :              -0.00002703990939
                   +1 :              -0.00006555482036
                3d
                   -2 :              -0.00006090271757
                   -1 :               0.00000378038732
                   +0 :              -0.00004118854647
                   +1 :              -0.00000379329356
                   +2 :               0.00004216291393
             12 vec=    -5.186775     15.214593      1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00002147233804
                2p
                   -1 :              -0.00001837597478
                   +0 :              -0.00000072024217
                   +1 :               0.00000088730648
                3s
                   +0 :               0.00021929635513
                4s
                   +0 :              -0.00011635345990
                3p
                   -1 :               0.00019937385254
                   +0 :               0.00005975872927
                   +1 :              -0.00010070333347
                4p
                   -1 :              -0.00012000030323
                   +0 :              -0.00003124588150
                   +1 :               0.00001300418014
                3d
                   -2 :               0.00003513330036
                   -1 :              -0.00002432146529
                   +0 :               0.00004052220313
                   +1 :              -0.00002534369255
                   +2 :               0.00001774924170
             13 vec=     2.593388    -16.228560      1.580534   |vec|=   16.510297
                2s
                   +0 :               0.00002735136738
                2p
                   -1 :              -0.00000297207770
                   +0 :              -0.00001404236673
                   +1 :              -0.00001862732921
                3s
                   +0 :              -0.00026330845894
                4s
                   +0 :               0.00003952206890
                3p
                   -1 :               0.00017141065211
                   +0 :              -0.00002387166548
                   +1 :               0.00009604984750
                4p
                   -1 :              -0.00001681876204
                   +0 :              -0.00001639731961
                   +1 :              -0.00000437064921
                3d
                   -2 :              -0.00002008548668
                   -1 :               0.00004781840214
                   +0 :              -0.00000637271111
                   +1 :               0.00002671049427
                   +2 :               0.00002064723980
             14 vec=   -12.966938     10.722714      1.580534   |vec|=   16.900182
                2s
                   +0 :               0.00000423836882
                2p
                   -1 :              -0.00002352651878
                   +0 :              -0.00001035837499
                   +1 :              -0.00000952108490
                3s
                   +0 :              -0.00022587872890
                4s
                   +0 :               0.00008716979672
                3p
                   -1 :               0.00006993088869
                   +0 :              -0.00006720655260
                   +1 :               0.00017842752525
                4p
                   -1 :              -0.00001108552496
                   +0 :               0.00000776612212
                   +1 :              -0.00006112630217
                3d
                   -2 :              -0.00002205072290
                   -1 :               0.00000033392759
                   +0 :              -0.00000406443309
                   +1 :               0.00004231235494
                   +2 :              -0.00003280018867
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Cr(  3)  npairs=  15
              1 vec=     2.593388      1.738956    -10.693237   |vec|=   11.139791
                3s
                   +0 :              -0.00084597631920
                3p
                   -1 :               0.00029874696426
                   +0 :               0.00011833902569
                   +1 :               0.00009743144912
                4s
                   +0 :               0.00143340157586
                5s
                   +0 :               0.00000121040596
                3d
                   -2 :               0.00059588985872
                   -1 :              -0.00054483357271
                   +0 :               0.00064288630391
                   +1 :              -0.00080594124772
                   +2 :              -0.00037806296457
                4d
                   -2 :               0.00015015333423
                   -1 :               0.00023660465303
                   +0 :              -0.00053778269169
                   +1 :              -0.00027785523817
                   +2 :              -0.00007857980096
                4p
                   -1 :              -0.00038165469611
                   +0 :              -0.00017408052294
                   +1 :               0.00039050672624
              2 vec=    -5.186775     -2.752923    -10.693237   |vec|=   12.199448
                3s
                   +0 :              -0.00019252754485
                3p
                   -1 :              -0.00014756718007
                   +0 :               0.00002728076112
                   +1 :               0.00020709149360
                4s
                   +0 :               0.00060218370576
                5s
                   +0 :              -0.00002712071771
                3d
                   -2 :              -0.00015222849087
                   -1 :               0.00004437091226
                   +0 :              -0.00053250994796
                   +1 :              -0.00039303991368
                   +2 :              -0.00022873808458
                4d
                   -2 :              -0.00017454020994
                   -1 :              -0.00024431072697
                   +0 :              -0.00008290863640
                   +1 :               0.00028318372388
                   +2 :               0.00009961243224
                4p
                   -1 :               0.00023245679470
                   +0 :               0.00001860723776
                   +1 :              -0.00041109636353
              3 vec=     2.593388     -7.244802    -10.693237   |vec|=   13.174146
                3s
                   +0 :              -0.00027404899995
                3p
                   -1 :               0.00039510281867
                   +0 :               0.00024831703718
                   +1 :              -0.00015840742341
                4s
                   +0 :              -0.00034193925326
                5s
                   +0 :               0.00002705313332
                3d
                   -2 :               0.00016533726335
                   -1 :              -0.00105649454104
                   +0 :              -0.00007039470558
                   +1 :               0.00032608547954
                   +2 :               0.00057586444317
                4d
                   -2 :              -0.00009901527920
                   -1 :               0.00002975547245
                   +0 :              -0.00000544093296
                   +1 :              -0.00007805546100
                   +2 :               0.00003155303684
                4p
                   -1 :              -0.00017295189348
                   +0 :               0.00015016835743
                   +1 :               0.00022862687355
              4 vec=    -5.186775      6.230835    -10.693237   |vec|=   13.419063
                3s
                   +0 :               0.00026254064094
                3p
                   -1 :               0.00006327431838
                   +0 :              -0.00005290539497
                   +1 :               0.00026878297856
                4s
                   +0 :              -0.00044693730207
                5s
                   +0 :              -0.00001339197458
                3d
                   -2 :               0.00016794794999
                   -1 :              -0.00004052025537
                   +0 :              -0.00022157026098
                   +1 :              -0.00054625926949
                   +2 :               0.00001953422394
                4d
                   -2 :              -0.00000298587036
                   -1 :               0.00019304024365
                   +0 :               0.00024566781876
                   +1 :               0.00024394559060
                   +2 :              -0.00000474652309
                4p
                   -1 :              -0.00020411168950
                   +0 :               0.00004174719915
                   +1 :              -0.00043077205323
              5 vec=     2.593388      1.738956     13.854306   |vec|=   14.201810
                3s
                   +0 :              -0.00012515185984
                3p
                   -1 :              -0.00001501151119
                   +0 :              -0.00000261932953
                   +1 :              -0.00004603130169
                4s
                   +0 :               0.00009769743697
                5s
                   +0 :               0.00002372134016
                3d
                   -2 :              -0.00014486789849
                   -1 :              -0.00009769172340
                   +0 :               0.00014053810907
                   +1 :               0.00007457310895
                   +2 :               0.00012069806005
                4d
                   -2 :               0.00002985984402
                   -1 :               0.00003116496155
                   +0 :              -0.00005535631520
                   +1 :              -0.00004960548979
                   +2 :              -0.00002922926595
                4p
                   -1 :               0.00002487533768
                   +0 :              -0.00001764761521
                   +1 :               0.00008397876698
              6 vec=    -5.186775     -2.752923     13.854306   |vec|=   15.047359
                3s
                   +0 :               0.00007003316014
                3p
                   -1 :              -0.00000716914172
                   +0 :               0.00001342746476
                   +1 :               0.00003591565634
                4s
                   +0 :              -0.00017508038505
                5s
                   +0 :               0.00000525156091
                3d
                   -2 :              -0.00006082805915
                   -1 :               0.00001060919602
                   +0 :              -0.00005333356413
                   +1 :               0.00009275810815
                   +2 :              -0.00001249521375
                4d
                   -2 :              -0.00000306859069
                   -1 :              -0.00000165458871
                   +0 :              -0.00001920282546
                   +1 :               0.00002663791545
                   +2 :              -0.00005263904687
                4p
                   -1 :               0.00002519148837
                   +0 :              -0.00006753776456
                   +1 :               0.00002456333953
              7 vec=    10.373550     -2.752923    -10.693237   |vec|=   15.150394
                3s
                   +0 :              -0.00004274118905
                3p
                   -1 :              -0.00006287825313
                   +0 :               0.00007177810219
                   +1 :              -0.00002723259757
                4s
                   +0 :               0.00010377599098
                5s
                   +0 :              -0.00004974237925
                3d
                   -2 :              -0.00019816949254
                   -1 :               0.00021019783754
                   +0 :              -0.00001190417254
                   +1 :               0.00019444251539
                   +2 :              -0.00003551192568
                4d
                   -2 :              -0.00003229651261
                   -1 :               0.00001614767292
                   +0 :               0.00003474418431
                   +1 :              -0.00010987477048
                   +2 :               0.00002927220282
                4p
                   -1 :               0.00001410116692
                   +0 :              -0.00016685079439
                   +1 :               0.00009126091510
              8 vec=     2.593388     10.722714    -10.693237   |vec|=   15.363840
                3s
                   +0 :               0.00015442942206
                3p
                   -1 :               0.00007182305262
                   +0 :              -0.00007007755954
                   +1 :               0.00004219769367
                4s
                   +0 :              -0.00017969994151
                5s
                   +0 :              -0.00003721205022
                3d
                   -2 :               0.00011777924854
                   -1 :              -0.00008180293345
                   +0 :               0.00014144077785
                   +1 :              -0.00019161373197
                   +2 :               0.00000846687468
                4d
                   -2 :               0.00002069547924
                   -1 :              -0.00000566181491
                   +0 :              -0.00004837235823
                   +1 :              -0.00003256479664
                   +2 :              -0.00004970294787
                4p
                   -1 :              -0.00004889373340
                   +0 :               0.00008889163183
                   +1 :              -0.00004589378955
              9 vec=     2.593388     -7.244802     13.854306   |vec|=   15.847858
                3s
                   +0 :               0.00002326181202
                3p
                   -1 :              -0.00002622662833
                   +0 :               0.00004179071008
                   +1 :               0.00001082715878
                4s
                   +0 :              -0.00004527522172
                5s
                   +0 :               0.00003851274056
                3d
                   -2 :              -0.00025076701955
                   -1 :              -0.00008849206491
                   +0 :              -0.00006539579266
                   +1 :               0.00017628834589
                   +2 :              -0.00009523450748
                4d
                   -2 :              -0.00005140582359
                   -1 :               0.00005860864582
                   +0 :              -0.00010584237588
                   +1 :               0.00001026484147
                   +2 :               0.00001851459463
                4p
                   -1 :              -0.00001003583972
                   +0 :              -0.00010660269320
                   +1 :               0.00009822523526
             10 vec=    -5.186775      6.230835     13.854306   |vec|=   16.052032
                3s
                   +0 :               0.00016706634765
                3p
                   -1 :               0.00005843741373
                   +0 :               0.00008954724268
                   +1 :              -0.00007172459850
                4s
                   +0 :              -0.00019115336316
                5s
                   +0 :               0.00001349853806
                3d
                   -2 :               0.00001976787232
                   -1 :               0.00026660922329
                   +0 :              -0.00014403035404
                   +1 :               0.00002234440628
                   +2 :              -0.00031639588474
                4d
                   -2 :              -0.00002524024177
                   -1 :              -0.00008975864298
                   +0 :              -0.00004131729939
                   +1 :               0.00000612110624
                   +2 :               0.00001104918096
                4p
                   -1 :               0.00006006590688
                   +0 :              -0.00014252207245
                   +1 :               0.00013929392353
             11 vec=    10.373550      6.230835    -10.693237   |vec|=   16.148658
                3s
                   +0 :              -0.00031640051879
                3p
                   -1 :              -0.00009923320607
                   +0 :               0.00015676550967
                   +1 :              -0.00011615463584
                4s
                   +0 :               0.00057260227369
                5s
                   +0 :              -0.00005753355260
                3d
                   -2 :              -0.00019671151955
                   -1 :               0.00018605755977
                   +0 :              -0.00006804127646
                   +1 :               0.00036839083014
                   +2 :              -0.00013698889412
                4d
                   -2 :               0.00007421716394
                   -1 :              -0.00008794012199
                   +0 :               0.00004467016196
                   +1 :              -0.00017577611785
                   +2 :               0.00000749794276
                4p
                   -1 :               0.00018712488532
                   +0 :              -0.00027779270353
                   +1 :               0.00020804499152
             12 vec=    -5.186775    -11.736681    -10.693237   |vec|=   16.703222
                3s
                   +0 :              -0.00004635077221
                3p
                   -1 :               0.00001789345853
                   +0 :               0.00002052997380
                   +1 :               0.00002928333338
                4s
                   +0 :               0.00016778307421
                5s
                   +0 :              -0.00001894621369
                3d
                   -2 :              -0.00003248639312
                   -1 :               0.00013555218981
                   +0 :               0.00002146138976
                   +1 :              -0.00002588683161
                   +2 :              -0.00006817558008
                4d
                   -2 :               0.00004060515606
                   -1 :               0.00003849827071
                   +0 :               0.00001985423305
                   +1 :               0.00004712843826
                   +2 :              -0.00003839226375
                4p
                   -1 :              -0.00004195534812
                   +0 :              -0.00008618503025
                   +1 :              -0.00005833654031
             13 vec=   -12.966938      1.738956    -10.693237   |vec|=   16.897064
                3s
                   +0 :              -0.00014754234064
                3p
                   -1 :              -0.00005166707482
                   +0 :               0.00007633501808
                   +1 :               0.00006708370809
                4s
                   +0 :               0.00030515122787
                5s
                   +0 :               0.00000032023773
                3d
                   -2 :              -0.00006734525609
                   -1 :              -0.00007485242245
                   +0 :               0.00003717395993
                   +1 :               0.00011507330271
                   +2 :               0.00001438480676
                4d
                   -2 :              -0.00005517758385
                   -1 :              -0.00002471959686
                   +0 :               0.00004749246802
                   +1 :               0.00004843806565
                   +2 :               0.00000189766218
                4p
                   -1 :               0.00010268889996
                   +0 :              -0.00018718978580
                   +1 :              -0.00008735934040
             14 vec=    10.373550     -2.752923     13.854306   |vec|=   17.525151
                3s
                   +0 :               0.00006227927456
                3p
                   -1 :              -0.00002387789586
                   +0 :              -0.00000482906415
                   +1 :               0.00001550314362
                4s
                   +0 :              -0.00022454220232
                5s
                   +0 :               0.00000856068169
                3d
                   -2 :               0.00014056527456
                   -1 :               0.00003738697855
                   +0 :               0.00007894984414
                   +1 :              -0.00007937537696
                   +2 :              -0.00009331169285
                4d
                   -2 :               0.00005244251483
                   -1 :               0.00002346712271
                   +0 :               0.00001583830499
                   +1 :              -0.00002321444133
                   +2 :               0.00001951177955
                4p
                   -1 :               0.00011706659931
                   +0 :              -0.00001157267167
                   +1 :              -0.00012174505574
             15 vec=     2.593388     10.722714     13.854306   |vec|=   17.709998
                3s
                   +0 :              -0.00013291954400
                3p
                   -1 :              -0.00009986877084
                   +0 :              -0.00001389964480
                   +1 :               0.00000471042173
                4s
                   +0 :               0.00024888934613
                5s
                   +0 :              -0.00000815871882
                3d
                   -2 :              -0.00005449710579
                   -1 :              -0.00006418808155
                   +0 :               0.00001550115245
                   +1 :               0.00002545057032
                   +2 :               0.00005310264097
                4d
                   -2 :               0.00003439057732
                   -1 :               0.00004159388547
                   +0 :              -0.00003411422744
                   +1 :              -0.00001448412185
                   +2 :              -0.00005434664490
                4p
                   -1 :               0.00019520202255
                   +0 :               0.00002195640750
                   +1 :               0.00000014224983
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al(  4)  npairs=  13
              1 vec=     2.593388      1.738956      6.601980   |vec|=    7.303134
                2s
                   +0 :               0.00025563618156
                2p
                   -1 :              -0.00010890966827
                   +0 :              -0.00056860038521
                   +1 :               0.00015216469040
                3s
                   +0 :              -0.00087779467767
                4s
                   +0 :              -0.00048654453434
                3p
                   -1 :               0.00377609529020
                   +0 :              -0.00102085321340
                   +1 :              -0.00081119566499
                4p
                   -1 :              -0.00053165393698
                   +0 :              -0.00063729830988
                   +1 :              -0.00080730018370
                3d
                   -2 :               0.00076091747048
                   -1 :               0.00039737889668
                   +0 :              -0.00104805458153
                   +1 :              -0.00182127846353
                   +2 :              -0.00119110373159
              2 vec=    -5.186775     -2.752923      6.601980   |vec|=    8.835573
                2s
                   +0 :               0.00187249731047
                2p
                   -1 :               0.00027427894561
                   +0 :               0.00028048235567
                   +1 :              -0.00032740857352
                3s
                   +0 :              -0.01756792480080
                4s
                   +0 :               0.00306518279364
                3p
                   -1 :               0.00156412258904
                   +0 :              -0.00873858685767
                   +1 :               0.00815159041422
                4p
                   -1 :               0.00066864509472
                   +0 :               0.00085925395593
                   +1 :              -0.00067010123181
                3d
                   -2 :              -0.00176867547782
                   -1 :               0.00112201042649
                   +0 :              -0.00071966070906
                   +1 :               0.00281052767321
                   +2 :              -0.00149572536784
              3 vec=     2.593388     -7.244802      6.601980   |vec|=   10.138982
                2s
                   +0 :               0.00106954956814
                2p
                   -1 :              -0.00042658870302
                   +0 :               0.00052718159128
                   +1 :               0.00014017849049
                3s
                   +0 :              -0.00396212556844
                4s
                   +0 :               0.00166236824165
                3p
                   -1 :               0.00205838748903
                   +0 :              -0.00342843090875
                   +1 :              -0.00110986957984
                4p
                   -1 :              -0.00071402710401
                   +0 :               0.00086753512823
                   +1 :               0.00018836764363
                3d
                   -2 :               0.00032014063052
                   -1 :               0.00061977708735
                   +0 :               0.00013979990402
                   +1 :              -0.00030820032606
                   +2 :               0.00025402806819
              4 vec=    -5.186775      6.230835      6.601980   |vec|=   10.455242
                2s
                   +0 :               0.00110471542628
                2p
                   -1 :               0.00048637479365
                   +0 :               0.00018312815890
                   +1 :              -0.00018246291330
                3s
                   +0 :              -0.00464956668077
                4s
                   +0 :               0.00161425619650
                3p
                   -1 :              -0.00284919910053
                   +0 :              -0.00189179596384
                   +1 :               0.00135526108145
                4p
                   -1 :               0.00079045218600
                   +0 :               0.00051831754480
                   +1 :              -0.00039434349121
                3d
                   -2 :               0.00037748579693
                   -1 :              -0.00077756546920
                   +0 :               0.00002206542698
                   +1 :              -0.00009411642373
                   +2 :               0.00037677279330
              5 vec=    10.373550     -2.752923      6.601980   |vec|=   12.600606
                2s
                   +0 :               0.00022523783462
                2p
                   -1 :              -0.00012574044652
                   +0 :               0.00005480394490
                   +1 :               0.00027122957128
                3s
                   +0 :               0.00016714805737
                4s
                   +0 :              -0.00000080061660
                3p
                   -1 :               0.00025394214532
                   +0 :               0.00024709728374
                   +1 :              -0.00095336245139
                4p
                   -1 :              -0.00007185037935
                   +0 :               0.00001490134253
                   +1 :               0.00032514316142
                3d
                   -2 :               0.00004168743662
                   -1 :               0.00002266373261
                   +0 :               0.00013512854225
                   +1 :               0.00003300161257
                   +2 :               0.00004364045203
              6 vec=     2.593388     10.722714      6.601980   |vec|=   12.856453
                2s
                   +0 :              -0.00011182228835
                2p
                   -1 :               0.00005976199886
                   +0 :               0.00015842748401
                   +1 :              -0.00001335719314
                3s
                   +0 :               0.00081224660590
                4s
                   +0 :              -0.00006803331931
                3p
                   -1 :               0.00012216296561
                   +0 :              -0.00033997427374
                   +1 :               0.00005623856962
                4p
                   -1 :               0.00004651207815
                   +0 :               0.00010675234081
                   +1 :              -0.00001020904799
                3d
                   -2 :               0.00001302773527
                   -1 :              -0.00008704145976
                   +0 :              -0.00020103543947
                   +1 :              -0.00001909959726
                   +2 :              -0.00019031121066
              7 vec=    10.373550      6.230835      6.601980   |vec|=   13.784774
                2s
                   +0 :              -0.00002561092745
                2p
                   -1 :              -0.00024692265861
                   +0 :               0.00000919165634
                   +1 :               0.00001111998326
                3s
                   +0 :               0.00057743759713
                4s
                   +0 :              -0.00044029794887
                3p
                   -1 :               0.00126705517394
                   +0 :               0.00009054342770
                   +1 :               0.00050943095044
                4p
                   -1 :              -0.00038612982773
                   +0 :              -0.00010547739150
                   +1 :              -0.00036977294729
                3d
                   -2 :               0.00005327338528
                   -1 :               0.00006975871039
                   +0 :              -0.00008609462910
                   +1 :              -0.00001105674270
                   +2 :               0.00015665802063
              8 vec=    -5.186775    -11.736681      6.601980   |vec|=   14.430470
                2s
                   +0 :               0.00013293864249
                2p
                   -1 :               0.00003537383043
                   +0 :               0.00006856315588
                   +1 :              -0.00008790994082
                3s
                   +0 :              -0.00037849146071
                4s
                   +0 :              -0.00001094314733
                3p
                   -1 :              -0.00034169164782
                   +0 :              -0.00028072764512
                   +1 :               0.00030672633806
                4p
                   -1 :               0.00020610573926
                   +0 :               0.00001664489885
                   +1 :              -0.00005166355354
                3d
                   -2 :               0.00007534749304
                   -1 :               0.00000951430350
                   +0 :              -0.00004723333306
                   +1 :               0.00010716110945
                   +2 :              -0.00009991928327
              9 vec=   -12.966938      1.738956      6.601980   |vec|=   14.654405
                2s
                   +0 :              -0.00013048422466
                2p
                   -1 :               0.00003765295658
                   +0 :              -0.00003204739942
                   +1 :               0.00006188578211
                3s
                   +0 :               0.00024252635408
                4s
                   +0 :               0.00003787781720
                3p
                   -1 :              -0.00032123584686
                   +0 :               0.00003061366271
                   +1 :              -0.00030106365274
                4p
                   -1 :               0.00008486148162
                   +0 :               0.00005068251319
                   +1 :               0.00002534714877
                3d
                   -2 :               0.00009375243158
                   -1 :              -0.00005324089496
                   +0 :              -0.00007474826944
                   +1 :              -0.00007119917307
                   +2 :              -0.00000339620268
             10 vec=   -12.966938     -7.244802      6.601980   |vec|=   16.254684
                2s
                   +0 :               0.00015299163974
                2p
                   -1 :              -0.00000119597522
                   +0 :               0.00004910698705
                   +1 :              -0.00005952566338
                3s
                   +0 :              -0.00049293600051
                4s
                   +0 :               0.00008960758117
                3p
                   -1 :              -0.00005426595963
                   +0 :              -0.00022676358571
                   +1 :               0.00023767727497
                4p
                   -1 :               0.00004518835604
                   +0 :               0.00005737663622
                   +1 :              -0.00002184131809
                3d
                   -2 :               0.00002033981931
                   -1 :               0.00002584444446
                   +0 :              -0.00002927703422
                   +1 :               0.00003037120287
                   +2 :              -0.00005509091730
             11 vec=    10.373550    -11.736681      6.601980   |vec|=   16.998422
                2s
                   +0 :              -0.00007150061583
                2p
                   -1 :               0.00000767079994
                   +0 :              -0.00002742857140
                   +1 :              -0.00004047887114
                3s
                   +0 :               0.00038699345829
                4s
                   +0 :              -0.00009903067094
                3p
                   -1 :              -0.00007666423561
                   +0 :               0.00020804266389
                   +1 :               0.00025350542020
                4p
                   -1 :               0.00001318184752
                   +0 :              -0.00003348670660
                   +1 :              -0.00004160743428
                3d
                   -2 :              -0.00000402486165
                   -1 :              -0.00001800239294
                   +0 :               0.00000615009443
                   +1 :               0.00004611140052
                   +2 :               0.00004848697796
             12 vec=    -5.186775     15.214593      6.601980   |vec|=   17.377359
                2s
                   +0 :              -0.00004115275678
                2p
                   -1 :              -0.00002116604072
                   +0 :              -0.00003131016818
                   +1 :               0.00000881396315
                3s
                   +0 :               0.00009944241790
                4s
                   +0 :              -0.00004346616420
                3p
                   -1 :               0.00006597794685
                   +0 :               0.00014625638053
                   +1 :              -0.00005728630711
                4p
                   -1 :              -0.00001438661017
                   +0 :              -0.00004207884438
                   +1 :               0.00001186281800
                3d
                   -2 :               0.00001095086229
                   -1 :               0.00004016622295
                   +0 :               0.00001017244101
                   +1 :              -0.00000565159185
                   +2 :               0.00001417307989
             13 vec=     2.593388    -16.228560      6.601980   |vec|=   17.710956
                2s
                   +0 :               0.00000437350173
                2p
                   -1 :              -0.00001316951564
                   +0 :              -0.00000193537338
                   +1 :               0.00001221847800
                3s
                   +0 :              -0.00004568542737
                4s
                   +0 :               0.00003437861443
                3p
                   -1 :               0.00011691883569
                   +0 :              -0.00000642167333
                   +1 :              -0.00001953615285
                4p
                   -1 :              -0.00004917880363
                   +0 :               0.00000913331714
                   +1 :              -0.00001466765920
                3d
                   -2 :              -0.00000632765319
                   -1 :              -0.00000691107222
                   +0 :               0.00000909286373
                   +1 :              -0.00000927952301
                   +2 :               0.00001455456148
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al(  5)  npairs=  14
              1 vec=     0.000000     -2.752923      2.510641   |vec|=    3.725842
                2s
                   +0 :              -0.00303335966251
                2p
                   -1 :               0.00216040163478
                   +0 :              -0.00072902493368
                   +1 :              -0.00310436089156
                3s
                   +0 :              -0.00499777142029
                4s
                   +0 :              -0.00316753298631
                3p
                   -1 :               0.00053894353050
                   +0 :              -0.00105157968517
                   +1 :              -0.02671479114314
                4p
                   -1 :               0.00289903950219
                   +0 :              -0.00146738072299
                   +1 :               0.00128817095726
                3d
                   -2 :               0.02214243314823
                   -1 :               0.00247381606050
                   +0 :               0.00108492386843
                   +1 :              -0.01855351887814
                   +2 :               0.00356729841686
              2 vec=     0.000000      6.230835      2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00356042701333
                2p
                   -1 :              -0.00201231603409
                   +0 :              -0.00096739282058
                   +1 :               0.00075759263245
                3s
                   +0 :               0.01776046319862
                4s
                   +0 :              -0.00802319489745
                3p
                   -1 :               0.01166915998518
                   +0 :               0.00793200512008
                   +1 :              -0.00314669921946
                4p
                   -1 :              -0.00375265851328
                   +0 :              -0.00263631849972
                   +1 :               0.00096399809843
                3d
                   -2 :               0.00150909431011
                   -1 :               0.00162233979871
                   +0 :               0.00071155469334
                   +1 :              -0.00188014852335
                   +2 :              -0.00041034978005
              3 vec=    -7.780163      1.738956      2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00089961923665
                2p
                   -1 :              -0.00012723620789
                   +0 :               0.00032873845621
                   +1 :               0.00102391937632
                3s
                   +0 :              -0.00162401231226
                4s
                   +0 :              -0.00100705083347
                3p
                   -1 :              -0.00113993550045
                   +0 :              -0.00662194453983
                   +1 :              -0.00564189213557
                4p
                   -1 :              -0.00092372018159
                   +0 :               0.00047364127726
                   +1 :               0.00160811949371
                3d
                   -2 :              -0.00004657910095
                   -1 :              -0.00187986658117
                   +0 :              -0.00332589689739
                   +1 :               0.00076276816510
                   +2 :               0.00204682688608
              4 vec=     7.780163      1.738956      2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00119057382315
                2p
                   -1 :              -0.00074269160233
                   +0 :              -0.00066493983962
                   +1 :              -0.00054419766216
                3s
                   +0 :               0.00849897288139
                4s
                   +0 :              -0.00010423225127
                3p
                   -1 :               0.00765169699405
                   +0 :               0.00893353031130
                   +1 :               0.00042709715849
                4p
                   -1 :              -0.00146779307240
                   +0 :              -0.00089798352299
                   +1 :               0.00100664589252
                3d
                   -2 :               0.00096992902681
                   -1 :               0.00225186029911
                   +0 :               0.00178742854496
                   +1 :               0.00075382565038
                   +2 :              -0.00201626135751
              5 vec=    -7.780163     -7.244802      2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00057103945112
                2p
                   -1 :               0.00033994255123
                   +0 :              -0.00010167531850
                   +1 :               0.00020232492434
                3s
                   +0 :               0.00020122837939
                4s
                   +0 :               0.00009580993393
                3p
                   -1 :              -0.00069112072036
                   +0 :               0.00063867943557
                   +1 :               0.00029389675856
                4p
                   -1 :              -0.00001620101496
                   +0 :              -0.00018108444225
                   +1 :              -0.00015510576717
                3d
                   -2 :              -0.00005187778246
                   -1 :              -0.00005822503185
                   +0 :              -0.00021750199683
                   +1 :               0.00014832422104
                   +2 :              -0.00007132275811
              6 vec=     7.780163     -7.244802      2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00015637656144
                2p
                   -1 :               0.00019302978862
                   +0 :              -0.00002211799172
                   +1 :               0.00006283343245
                3s
                   +0 :               0.00000339437721
                4s
                   +0 :               0.00020062066488
                3p
                   -1 :              -0.00111649499696
                   +0 :               0.00030614632943
                   +1 :               0.00010729088458
                4p
                   -1 :               0.00023082236321
                   +0 :              -0.00005342393850
                   +1 :              -0.00001129910893
                3d
                   -2 :              -0.00026913031446
                   -1 :               0.00006704647990
                   +0 :              -0.00012915769132
                   +1 :               0.00038221755389
                   +2 :              -0.00027054861359
              7 vec=     0.000000    -11.736681      2.510641   |vec|=   12.002208
                2s
                   +0 :              -0.00013021480808
                2p
                   -1 :              -0.00001468695139
                   +0 :               0.00008405498336
                   +1 :               0.00001635038571
                3s
                   +0 :               0.00033651799418
                4s
                   +0 :              -0.00002290846606
                3p
                   -1 :               0.00009804195263
                   +0 :              -0.00030949817133
                   +1 :               0.00010554438921
                4p
                   -1 :              -0.00005151038815
                   +0 :               0.00003346592594
                   +1 :               0.00011615804136
                3d
                   -2 :              -0.00034914169439
                   -1 :               0.00003153412860
                   +0 :              -0.00008926389266
                   +1 :               0.00018311881113
                   +2 :               0.00017420036452
              8 vec=    -7.780163     10.722714      2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00010748275776
                2p
                   -1 :              -0.00002486257000
                   +0 :               0.00009110736294
                   +1 :              -0.00008532004565
                3s
                   +0 :              -0.00102760570504
                4s
                   +0 :               0.00029739877112
                3p
                   -1 :              -0.00000292077209
                   +0 :              -0.00085972142398
                   +1 :               0.00082255782231
                4p
                   -1 :               0.00005356984176
                   +0 :               0.00016123978554
                   +1 :              -0.00017145107496
                3d
                   -2 :               0.00015505405071
                   -1 :              -0.00019291112394
                   +0 :              -0.00015866297348
                   +1 :               0.00021032239310
                   +2 :              -0.00014281296949
              9 vec=     7.780163     10.722714      2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00002262561542
                2p
                   -1 :              -0.00020054517415
                   +0 :               0.00015281455704
                   +1 :               0.00023382906485
                3s
                   +0 :               0.00046350796493
                4s
                   +0 :              -0.00001766819403
                3p
                   -1 :               0.00113088223049
                   +0 :              -0.00010190132630
                   +1 :              -0.00088507708273
                4p
                   -1 :              -0.00029910776334
                   +0 :              -0.00001645952951
                   +1 :               0.00030156449452
                3d
                   -2 :               0.00002213751213
                   -1 :               0.00001943256264
                   +0 :              -0.00005792436408
                   +1 :               0.00000002038646
                   +2 :              -0.00040302721105
             10 vec=     0.000000     15.214593      2.510641   |vec|=   15.420349
                2s
                   +0 :               0.00005958941533
                2p
                   -1 :               0.00003218712082
                   +0 :               0.00002966606793
                   +1 :              -0.00001560459241
                3s
                   +0 :              -0.00019684284496
                4s
                   +0 :               0.00004705578782
                3p
                   -1 :              -0.00011260732938
                   +0 :              -0.00019673970631
                   +1 :               0.00004485023565
                4p
                   -1 :               0.00001620811299
                   +0 :               0.00007167380816
                   +1 :               0.00000279100983
                3d
                   -2 :               0.00000226775023
                   -1 :              -0.00003546860400
                   +0 :               0.00003367241221
                   +1 :              -0.00001352925421
                   +2 :              -0.00001813294627
             11 vec=   -15.560325     -2.752923      2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00004317511298
                2p
                   -1 :              -0.00002911838884
                   +0 :              -0.00004386642714
                   +1 :              -0.00005648128529
                3s
                   +0 :              -0.00017365494482
                4s
                   +0 :               0.00006918058654
                3p
                   -1 :               0.00018320462411
                   +0 :               0.00024589095440
                   +1 :               0.00020461146541
                4p
                   -1 :              -0.00005194564392
                   +0 :              -0.00004807459616
                   +1 :              -0.00007436479460
                3d
                   -2 :              -0.00002938715635
                   -1 :              -0.00000759367336
                   +0 :               0.00003068034659
                   +1 :              -0.00003147432657
                   +2 :               0.00002197356818
             12 vec=    15.560325     -2.752923      2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00002514748470
                2p
                   -1 :               0.00004963803030
                   +0 :               0.00004154884290
                   +1 :              -0.00004233665989
                3s
                   +0 :               0.00013550038150
                4s
                   +0 :              -0.00014003585637
                3p
                   -1 :              -0.00021553020272
                   +0 :              -0.00017688616482
                   +1 :               0.00022736964256
                4p
                   -1 :               0.00006717056934
                   +0 :               0.00002616517361
                   +1 :              -0.00011449398381
                3d
                   -2 :              -0.00002525145538
                   -1 :              -0.00005440477547
                   +0 :               0.00000409247645
                   +1 :              -0.00003683851613
                   +2 :               0.00005654371585
             13 vec=   -15.560325      6.230835      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00006772579611
                2p
                   -1 :              -0.00000003208448
                   +0 :              -0.00002957496904
                   +1 :               0.00004073318489
                3s
                   +0 :               0.00015418975740
                4s
                   +0 :              -0.00007442167927
                3p
                   -1 :               0.00003546096394
                   +0 :               0.00010883999650
                   +1 :              -0.00015900518649
                4p
                   -1 :              -0.00001577042722
                   +0 :              -0.00004458790368
                   +1 :               0.00004162731969
                3d
                   -2 :               0.00000148290925
                   -1 :               0.00004516847937
                   +0 :               0.00000923126524
                   +1 :               0.00000154703204
                   +2 :              -0.00001066452888
             14 vec=    15.560325      6.230835      2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00003515017815
                2p
                   -1 :               0.00001327934714
                   +0 :               0.00000452406068
                   +1 :              -0.00001528892018
                3s
                   +0 :               0.00023215896409
                4s
                   +0 :              -0.00010383679262
                3p
                   -1 :              -0.00001876140919
                   +0 :               0.00005045609828
                   +1 :               0.00008880091920
                4p
                   -1 :              -0.00003609342095
                   +0 :              -0.00001352252755
                   +1 :              -0.00002224638130
                3d
                   -2 :               0.00001670937464
                   -1 :               0.00001375779976
                   +0 :               0.00002213908342
                   +1 :               0.00002134232311
                   +2 :               0.00001246841886
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al(  6)  npairs=  13
              1 vec=     0.000000     -2.752923      9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00013825278370
                2p
                   -1 :              -0.00012609775521
                   +0 :               0.00007891298959
                   +1 :              -0.00001170099533
                3s
                   +0 :               0.00083057934548
                4s
                   +0 :              -0.00029727169606
                3p
                   -1 :               0.00061330801602
                   +0 :              -0.00007419923196
                   +1 :              -0.00018720521971
                4p
                   -1 :              -0.00023242296727
                   +0 :              -0.00007101001830
                   +1 :               0.00000692211908
                3d
                   -2 :               0.00002586568478
                   -1 :               0.00004179890934
                   +0 :              -0.00009909866367
                   +1 :              -0.00003054776979
                   +2 :              -0.00005746797890
              2 vec=     0.000000      6.230835      9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00018969137733
                2p
                   -1 :              -0.00029024662800
                   +0 :               0.00001290123404
                   +1 :               0.00035380231049
                3s
                   +0 :               0.00054169597600
                4s
                   +0 :              -0.00013123274009
                3p
                   -1 :               0.00153301023649
                   +0 :              -0.00004957576034
                   +1 :              -0.00153364362218
                4p
                   -1 :              -0.00044717889813
                   +0 :              -0.00009975902612
                   +1 :               0.00035950978272
                3d
                   -2 :               0.00005278681089
                   -1 :               0.00015461007680
                   +0 :              -0.00014301528635
                   +1 :              -0.00038197634000
                   +2 :              -0.00002721805285
              3 vec=    -7.780163      1.738956      9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00001869442377
                2p
                   -1 :               0.00007591370115
                   +0 :              -0.00002235922098
                   +1 :               0.00014078607722
                3s
                   +0 :              -0.00124195340553
                4s
                   +0 :               0.00015252741991
                3p
                   -1 :              -0.00088217471883
                   +0 :              -0.00024550711060
                   +1 :               0.00039003053567
                4p
                   -1 :               0.00028675568989
                   +0 :               0.00000461860661
                   +1 :               0.00017784541892
                3d
                   -2 :               0.00008826843977
                   -1 :               0.00003927224588
                   +0 :               0.00016360796682
                   +1 :               0.00010191987521
                   +2 :              -0.00014678250012
              4 vec=     7.780163      1.738956      9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00003841343671
                2p
                   -1 :               0.00023870109204
                   +0 :               0.00010243125111
                   +1 :               0.00024808821075
                3s
                   +0 :               0.00140681378149
                4s
                   +0 :               0.00001703416421
                3p
                   -1 :              -0.00006218224309
                   +0 :              -0.00015660818760
                   +1 :               0.00005719167385
                4p
                   -1 :               0.00003918504101
                   +0 :               0.00029744510934
                   +1 :               0.00021175316524
                3d
                   -2 :               0.00039823512493
                   -1 :              -0.00000833723309
                   +0 :              -0.00024004508573
                   +1 :               0.00000491223832
                   +2 :              -0.00002274423416
              5 vec=    -7.780163     -7.244802      9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00003662492918
                2p
                   -1 :              -0.00013029165776
                   +0 :               0.00003318233073
                   +1 :               0.00003337231370
                3s
                   +0 :              -0.00017157861656
                4s
                   +0 :               0.00007585263591
                3p
                   -1 :               0.00066954438215
                   +0 :              -0.00028126556709
                   +1 :              -0.00032898258786
                4p
                   -1 :              -0.00010393657300
                   +0 :               0.00010070405714
                   +1 :               0.00006192913993
                3d
                   -2 :              -0.00003556628938
                   -1 :               0.00014468588418
                   +0 :              -0.00000932012276
                   +1 :              -0.00004860462375
                   +2 :               0.00014188993205
              6 vec=     7.780163     -7.244802      9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00008456948479
                2p
                   -1 :               0.00007713183215
                   +0 :              -0.00003922415198
                   +1 :              -0.00003288935480
                3s
                   +0 :               0.00026394549647
                4s
                   +0 :              -0.00007504061762
                3p
                   -1 :              -0.00046101465103
                   +0 :               0.00027341588300
                   +1 :               0.00020265210041
                4p
                   -1 :               0.00005134746437
                   +0 :              -0.00007512902227
                   +1 :              -0.00009003726328
                3d
                   -2 :              -0.00010844304433
                   -1 :              -0.00014393697652
                   +0 :              -0.00004075987793
                   +1 :               0.00005415042949
                   +2 :              -0.00006055181896
              7 vec=     0.000000     -2.752923    -14.784576   |vec|=   15.038692
                2s
                   +0 :              -0.00004101281990
                2p
                   -1 :              -0.00000845120008
                   +0 :               0.00000944501542
                   +1 :              -0.00001881693319
                3s
                   +0 :               0.00012034294532
                4s
                   +0 :               0.00001640570668
                3p
                   -1 :               0.00011186834235
                   +0 :              -0.00005868067713
                   +1 :               0.00020445770384
                4p
                   -1 :              -0.00003467564636
                   +0 :              -0.00001310069224
                   +1 :              -0.00003163703467
                3d
                   -2 :               0.00002954280047
                   -1 :              -0.00000245829465
                   +0 :              -0.00000623389844
                   +1 :              -0.00005400947630
                   +2 :               0.00001697554324
              8 vec=     0.000000    -11.736681      9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00008529502931
                2p
                   -1 :               0.00005989811715
                   +0 :              -0.00002255351924
                   +1 :              -0.00002845430210
                3s
                   +0 :               0.00018019627114
                4s
                   +0 :              -0.00004572287516
                3p
                   -1 :              -0.00020716581155
                   +0 :               0.00004270219577
                   +1 :               0.00017808147375
                4p
                   -1 :               0.00004602092082
                   +0 :              -0.00002416150732
                   +1 :              -0.00003092160595
                3d
                   -2 :               0.00000920706781
                   -1 :              -0.00001218547951
                   +0 :              -0.00000855984892
                   +1 :               0.00001394201907
                   +2 :              -0.00005423931762
              9 vec=     0.000000      6.230835    -14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00001866951069
                2p
                   -1 :              -0.00001699156001
                   +0 :               0.00000157153482
                   +1 :              -0.00002527846898
                3s
                   +0 :              -0.00010508197623
                4s
                   +0 :              -0.00002010341901
                3p
                   -1 :              -0.00001371290844
                   +0 :               0.00009728238258
                   +1 :               0.00009677628835
                4p
                   -1 :              -0.00002239593818
                   +0 :              -0.00000824773030
                   +1 :              -0.00001943685470
                3d
                   -2 :              -0.00004470158101
                   -1 :               0.00005511503218
                   +0 :              -0.00004439499690
                   +1 :               0.00002645335510
                   +2 :              -0.00002956657986
             10 vec=    -7.780163     10.722714      9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00001517472841
                2p
                   -1 :              -0.00001122437075
                   +0 :              -0.00000282476269
                   +1 :               0.00001177579714
                3s
                   +0 :              -0.00018123780442
                4s
                   +0 :               0.00008182301757
                3p
                   -1 :              -0.00004974303597
                   +0 :              -0.00002278685938
                   +1 :              -0.00002228110756
                4p
                   -1 :               0.00004411273513
                   +0 :               0.00003479859855
                   +1 :               0.00000674368860
                3d
                   -2 :              -0.00000918028475
                   -1 :               0.00002419345540
                   +0 :               0.00001595236507
                   +1 :               0.00000339117093
                   +2 :              -0.00002966381007
             11 vec=     7.780163     10.722714      9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00000005079554
                2p
                   -1 :               0.00004536752347
                   +0 :               0.00001546470047
                   +1 :               0.00003711384296
                3s
                   +0 :               0.00003627253861
                4s
                   +0 :               0.00001428788203
                3p
                   -1 :              -0.00019254139171
                   +0 :              -0.00007157665495
                   +1 :              -0.00010259171771
                4p
                   -1 :               0.00007244180119
                   +0 :               0.00001376360370
                   +1 :               0.00000772238108
                3d
                   -2 :              -0.00001149443497
                   -1 :              -0.00002621840154
                   +0 :              -0.00001697965765
                   +1 :              -0.00003199921648
                   +2 :               0.00006584446292
             12 vec=    -7.780163      1.738956    -14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00007201959380
                2p
                   -1 :               0.00001215404317
                   +0 :              -0.00001578532693
                   +1 :              -0.00001338344309
                3s
                   +0 :              -0.00022450216710
                4s
                   +0 :               0.00005914951022
                3p
                   -1 :              -0.00005020810230
                   +0 :              -0.00000038699083
                   +1 :               0.00004697816066
                4p
                   -1 :               0.00002457445976
                   +0 :               0.00000359651952
                   +1 :              -0.00002242384428
                3d
                   -2 :              -0.00001909420899
                   -1 :              -0.00001691759334
                   +0 :               0.00006045558632
                   +1 :               0.00002684914112
                   +2 :               0.00000027752022
             13 vec=     7.780163      1.738956    -14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00007506420981
                2p
                   -1 :               0.00002112748337
                   +0 :               0.00002233477039
                   +1 :              -0.00000195118861
                3s
                   +0 :               0.00031213583002
                4s
                   +0 :              -0.00002054819700
                3p
                   -1 :              -0.00014837169024
                   +0 :              -0.00010634242139
                   +1 :               0.00001513306683
                4p
                   -1 :               0.00000789271751
                   +0 :              -0.00000116462561
                   +1 :               0.00000517605099
                3d
                   -2 :              -0.00005696233118
                   -1 :               0.00002874267131
                   +0 :              -0.00002163995874
                   +1 :               0.00001290881045
                   +2 :              -0.00000759244313
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al(  7)  npairs=  14
              1 vec=     0.000000     -2.752923     -2.510804   |vec|=    3.725953
                2s
                   +0 :               0.00301497969456
                2p
                   -1 :              -0.00215613653768
                   +0 :              -0.00072732157723
                   +1 :              -0.00308760616678
                3s
                   +0 :               0.00507832665160
                4s
                   +0 :               0.00314889570751
                3p
                   -1 :              -0.00054880315811
                   +0 :              -0.00106314006626
                   +1 :              -0.02679156382035
                4p
                   -1 :              -0.00288759112665
                   +0 :              -0.00146223916659
                   +1 :               0.00130798195174
                3d
                   -2 :               0.02220603753019
                   -1 :               0.00246786186697
                   +0 :              -0.00109127448810
                   +1 :               0.01858567578865
                   +2 :              -0.00357229645140
              2 vec=     0.000000      6.230835     -2.510804   |vec|=    6.717696
                2s
                   +0 :               0.00355152904775
                2p
                   -1 :               0.00201073095848
                   +0 :              -0.00097055578399
                   +1 :               0.00076545361857
                3s
                   +0 :              -0.01773570070395
                4s
                   +0 :               0.00803351998821
                3p
                   -1 :              -0.01164849945951
                   +0 :               0.00793846464138
                   +1 :              -0.00317744489135
                4p
                   -1 :               0.00375431045100
                   +0 :              -0.00262507520499
                   +1 :               0.00097128269706
                3d
                   -2 :               0.00150992655351
                   -1 :               0.00163110757843
                   +0 :              -0.00071820030893
                   +1 :               0.00187980774792
                   +2 :               0.00039840818561
              3 vec=    -7.780163      1.738956     -2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00118484743387
                2p
                   -1 :               0.00074284970477
                   +0 :              -0.00066717391838
                   +1 :              -0.00054676204099
                3s
                   +0 :              -0.00850517082679
                4s
                   +0 :               0.00009527707129
                3p
                   -1 :              -0.00764601743315
                   +0 :               0.00895565351948
                   +1 :               0.00044039451440
                4p
                   -1 :               0.00146404759911
                   +0 :              -0.00090107109623
                   +1 :               0.00100681095111
                3d
                   -2 :               0.00096852894843
                   -1 :               0.00225676589262
                   +0 :              -0.00178530522933
                   +1 :              -0.00075933602899
                   +2 :               0.00201759134243
              4 vec=     7.780163      1.738956     -2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00088517018783
                2p
                   -1 :               0.00011947907622
                   +0 :               0.00033559859481
                   +1 :               0.00102599869338
                3s
                   +0 :               0.00165189971376
                4s
                   +0 :               0.00101665279875
                3p
                   -1 :               0.00114788689379
                   +0 :              -0.00668504559815
                   +1 :              -0.00565753991937
                4p
                   -1 :               0.00092214518123
                   +0 :               0.00050016147219
                   +1 :               0.00161723636481
                3d
                   -2 :              -0.00004794360902
                   -1 :              -0.00188158879827
                   +0 :               0.00332385986926
                   +1 :              -0.00076925227658
                   +2 :              -0.00204508097999
              5 vec=    -7.780163     -7.244802     -2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00015772315424
                2p
                   -1 :              -0.00019544339973
                   +0 :              -0.00002431280328
                   +1 :               0.00006054788969
                3s
                   +0 :               0.00001021559844
                4s
                   +0 :              -0.00020173860331
                3p
                   -1 :               0.00112926321758
                   +0 :               0.00032581608097
                   +1 :               0.00010657625221
                4p
                   -1 :              -0.00023592380827
                   +0 :              -0.00005685051876
                   +1 :              -0.00001323651387
                3d
                   -2 :              -0.00026740016130
                   -1 :               0.00006731992577
                   +0 :               0.00013100623059
                   +1 :              -0.00038979105722
                   +2 :               0.00027993351715
              6 vec=     7.780163     -7.244802     -2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00057430847676
                2p
                   -1 :              -0.00034192898235
                   +0 :              -0.00010115764401
                   +1 :               0.00020320735077
                3s
                   +0 :              -0.00023182173707
                4s
                   +0 :              -0.00009593181181
                3p
                   -1 :               0.00072609305972
                   +0 :               0.00063200310276
                   +1 :               0.00025723535229
                4p
                   -1 :               0.00001050221932
                   +0 :              -0.00018193749564
                   +1 :              -0.00015591952235
                3d
                   -2 :              -0.00004239210390
                   -1 :              -0.00005558072306
                   +0 :               0.00022535602224
                   +1 :              -0.00015292735555
                   +2 :               0.00006735867697
              7 vec=     0.000000    -11.736681     -2.510804   |vec|=   12.002242
                2s
                   +0 :               0.00013101742445
                2p
                   -1 :               0.00001338091993
                   +0 :               0.00008516064820
                   +1 :               0.00001509895564
                3s
                   +0 :              -0.00030926672435
                4s
                   +0 :               0.00002138214386
                3p
                   -1 :              -0.00010010872379
                   +0 :              -0.00030756996477
                   +1 :               0.00010847776256
                4p
                   -1 :               0.00005189762624
                   +0 :               0.00003423966019
                   +1 :               0.00011516592432
                3d
                   -2 :              -0.00034706262929
                   -1 :               0.00002855122537
                   +0 :               0.00008817068505
                   +1 :              -0.00018540144491
                   +2 :              -0.00017459798613
              8 vec=    -7.780163     10.722714     -2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00002172815574
                2p
                   -1 :               0.00020052417688
                   +0 :               0.00015131789620
                   +1 :               0.00023432148963
                3s
                   +0 :              -0.00045958574023
                4s
                   +0 :               0.00001589984359
                3p
                   -1 :              -0.00112634570442
                   +0 :              -0.00009041020562
                   +1 :              -0.00088952168869
                4p
                   -1 :               0.00029713149706
                   +0 :              -0.00001928708700
                   +1 :               0.00030174213839
                3d
                   -2 :               0.00002242224891
                   -1 :               0.00002326119859
                   +0 :               0.00005937689550
                   +1 :              -0.00000091432884
                   +2 :               0.00040341407050
              9 vec=     7.780163     10.722714     -2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00010739469754
                2p
                   -1 :               0.00002657780146
                   +0 :               0.00009185148710
                   +1 :              -0.00008193798449
                3s
                   +0 :               0.00101962132063
                4s
                   +0 :              -0.00029398124527
                3p
                   -1 :              -0.00001197414682
                   +0 :              -0.00086942438260
                   +1 :               0.00081018374917
                4p
                   -1 :              -0.00004889638524
                   +0 :               0.00016596962352
                   +1 :              -0.00016964057547
                3d
                   -2 :               0.00015671458934
                   -1 :              -0.00019307454379
                   +0 :               0.00015824100762
                   +1 :              -0.00021111267498
                   +2 :               0.00014074221190
             10 vec=     0.000000     15.214593     -2.510804   |vec|=   15.420376
                2s
                   +0 :              -0.00006065808993
                2p
                   -1 :              -0.00003459660254
                   +0 :               0.00002995128085
                   +1 :              -0.00001553744979
                3s
                   +0 :               0.00020251678691
                4s
                   +0 :              -0.00005038517950
                3p
                   -1 :               0.00012659414458
                   +0 :              -0.00019743483108
                   +1 :               0.00004352007911
                4p
                   -1 :              -0.00001923226546
                   +0 :               0.00007089809025
                   +1 :               0.00000371369015
                3d
                   -2 :               0.00000149971809
                   -1 :              -0.00003427527566
                   +0 :              -0.00003439977191
                   +1 :               0.00001269726694
                   +2 :               0.00001691618181
             11 vec=   -15.560325     -2.752923     -2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00002509500114
                2p
                   -1 :              -0.00005013033475
                   +0 :               0.00004145924128
                   +1 :              -0.00004464477013
                3s
                   +0 :              -0.00013555126854
                4s
                   +0 :               0.00014145123440
                3p
                   -1 :               0.00021501138494
                   +0 :              -0.00017609076812
                   +1 :               0.00023615091774
                4p
                   -1 :              -0.00006843777421
                   +0 :               0.00002674071584
                   +1 :              -0.00011608131462
                3d
                   -2 :              -0.00002591498923
                   -1 :              -0.00005312221377
                   +0 :              -0.00000356441097
                   +1 :               0.00003631047715
                   +2 :              -0.00005626878775
             12 vec=    15.560325     -2.752923     -2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00004365849697
                2p
                   -1 :               0.00002673854957
                   +0 :              -0.00004432378141
                   +1 :              -0.00005607254609
                3s
                   +0 :               0.00018366211577
                4s
                   +0 :              -0.00006949587477
                3p
                   -1 :              -0.00017370139867
                   +0 :               0.00024708641649
                   +1 :               0.00020643997359
                4p
                   -1 :               0.00004983171917
                   +0 :              -0.00004750376386
                   +1 :              -0.00007497378460
                3d
                   -2 :              -0.00002969959378
                   -1 :              -0.00000774659271
                   +0 :              -0.00003250334897
                   +1 :               0.00003318667908
                   +2 :              -0.00002166395082
             13 vec=   -15.560325      6.230835     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00003619288138
                2p
                   -1 :              -0.00001391585787
                   +0 :               0.00000425092058
                   +1 :              -0.00001671623103
                3s
                   +0 :              -0.00023825230895
                4s
                   +0 :               0.00010580253138
                3p
                   -1 :               0.00002007979480
                   +0 :               0.00005128384155
                   +1 :               0.00009628178578
                4p
                   -1 :               0.00003721324985
                   +0 :              -0.00001391996188
                   +1 :              -0.00002466623363
                3d
                   -2 :               0.00001515260395
                   -1 :               0.00001543088147
                   +0 :              -0.00002184013723
                   +1 :              -0.00002141470284
                   +2 :              -0.00001541691867
             14 vec=    15.560325      6.230835     -2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00006509002649
                2p
                   -1 :              -0.00000166193026
                   +0 :              -0.00003061715612
                   +1 :               0.00004132876953
                3s
                   +0 :              -0.00014463292497
                4s
                   +0 :               0.00007405913307
                3p
                   -1 :              -0.00003268708857
                   +0 :               0.00011332214070
                   +1 :              -0.00016201964780
                4p
                   -1 :               0.00001642140880
                   +0 :              -0.00004403270658
                   +1 :               0.00004367057069
                3d
                   -2 :              -0.00000002131574
                   -1 :               0.00004450924550
                   +0 :              -0.00000807708852
                   +1 :               0.00000104943022
                   +2 :               0.00001202611327
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al(  8)  npairs=  13
              1 vec=     0.000000     -2.752923     -9.763130   |vec|=   10.143831
                2s
                   +0 :               0.00016513895861
                2p
                   -1 :               0.00015652595519
                   +0 :               0.00004886621664
                   +1 :              -0.00000151515106
                3s
                   +0 :              -0.00097433534048
                4s
                   +0 :               0.00033769345494
                3p
                   -1 :              -0.00068931611818
                   +0 :               0.00009876939013
                   +1 :              -0.00027681711198
                4p
                   -1 :               0.00027007813966
                   +0 :              -0.00011289773251
                   +1 :               0.00004677894812
                3d
                   -2 :               0.00001185469195
                   -1 :               0.00004486174701
                   +0 :               0.00014560780519
                   +1 :               0.00005596737805
                   +2 :               0.00008322837396
              2 vec=     0.000000      6.230835     -9.763130   |vec|=   11.581970
                2s
                   +0 :               0.00023336997025
                2p
                   -1 :               0.00031614932941
                   +0 :              -0.00000950784339
                   +1 :               0.00036046470385
                3s
                   +0 :              -0.00082370648415
                4s
                   +0 :               0.00026283345816
                3p
                   -1 :              -0.00167636123840
                   +0 :               0.00007836806302
                   +1 :              -0.00161058292005
                4p
                   -1 :               0.00046916927763
                   +0 :              -0.00011561604358
                   +1 :               0.00039752187520
                3d
                   -2 :               0.00006011991163
                   -1 :               0.00015511315439
                   +0 :               0.00015981866492
                   +1 :               0.00035550683010
                   +2 :               0.00005678477441
              3 vec=    -7.780163      1.738956     -9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00005287115487
                2p
                   -1 :              -0.00025294939622
                   +0 :               0.00010116560806
                   +1 :               0.00026899267583
                3s
                   +0 :              -0.00152543771541
                4s
                   +0 :              -0.00004684672748
                3p
                   -1 :               0.00022196459305
                   +0 :              -0.00022748190638
                   +1 :              -0.00004844043965
                4p
                   -1 :              -0.00012033251961
                   +0 :               0.00028349281898
                   +1 :               0.00024182451282
                3d
                   -2 :               0.00036933308223
                   -1 :              -0.00003962589804
                   +0 :               0.00019411025939
                   +1 :              -0.00002008167319
                   +2 :              -0.00000808921092
              4 vec=     7.780163      1.738956     -9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00004672702612
                2p
                   -1 :              -0.00007781078361
                   +0 :              -0.00003601438748
                   +1 :               0.00016193862291
                3s
                   +0 :               0.00109239464596
                4s
                   +0 :              -0.00005620240134
                3p
                   -1 :               0.00087795713164
                   +0 :              -0.00003539269208
                   +1 :               0.00029913158189
                4p
                   -1 :              -0.00028925379073
                   +0 :              -0.00003121718455
                   +1 :               0.00018489249266
                3d
                   -2 :               0.00008974152029
                   -1 :               0.00003179146412
                   +0 :              -0.00010029195925
                   +1 :              -0.00013150572256
                   +2 :               0.00011208629029
              5 vec=    -7.780163     -7.244802     -9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00010485668233
                2p
                   -1 :              -0.00008016312916
                   +0 :              -0.00002180859337
                   +1 :              -0.00003683393058
                3s
                   +0 :              -0.00043730288603
                4s
                   +0 :               0.00015120549727
                3p
                   -1 :               0.00054388860514
                   +0 :               0.00013500749145
                   +1 :               0.00024209846385
                4p
                   -1 :              -0.00008557431443
                   +0 :              -0.00004123930795
                   +1 :              -0.00011026723920
                3d
                   -2 :              -0.00008276054962
                   -1 :              -0.00012326012312
                   +0 :               0.00004593671036
                   +1 :              -0.00001251243050
                   +2 :               0.00006464554400
              6 vec=     7.780163     -7.244802     -9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00005562107581
                2p
                   -1 :               0.00013612306202
                   +0 :               0.00003556444279
                   +1 :               0.00003024432087
                3s
                   +0 :               0.00030056942329
                4s
                   +0 :              -0.00010086295883
                3p
                   -1 :              -0.00067701580571
                   +0 :              -0.00024924573533
                   +1 :              -0.00026421442972
                4p
                   -1 :               0.00009795957981
                   +0 :               0.00009639887868
                   +1 :               0.00004201157208
                3d
                   -2 :              -0.00004092281374
                   -1 :               0.00014202092190
                   +0 :               0.00001875383075
                   +1 :               0.00004390728933
                   +2 :              -0.00012580578240
              7 vec=     0.000000     -2.752923     14.784412   |vec|=   15.038531
                2s
                   +0 :              -0.00003119315178
                2p
                   -1 :              -0.00000788543117
                   +0 :              -0.00002634606395
                   +1 :              -0.00001386594714
                3s
                   +0 :               0.00014795457527
                4s
                   +0 :              -0.00006284741804
                3p
                   -1 :              -0.00001903725887
                   +0 :               0.00013931796264
                   +1 :               0.00015449788341
                4p
                   -1 :              -0.00000118553485
                   +0 :              -0.00004909803342
                   +1 :              -0.00001536433643
                3d
                   -2 :               0.00001706883367
                   -1 :               0.00000247263076
                   +0 :               0.00003166450065
                   +1 :               0.00002403352063
                   +2 :               0.00004965270668
              8 vec=     0.000000    -11.736681     -9.763130   |vec|=   15.266578
                2s
                   +0 :               0.00006213015878
                2p
                   -1 :              -0.00004951075950
                   +0 :              -0.00003131106255
                   +1 :              -0.00002232475469
                3s
                   +0 :              -0.00013904893377
                4s
                   +0 :               0.00004412889658
                3p
                   -1 :               0.00013301833953
                   +0 :               0.00009821870393
                   +1 :               0.00014595703249
                4p
                   -1 :              -0.00003933456317
                   +0 :              -0.00002792999657
                   +1 :              -0.00002559896723
                3d
                   -2 :               0.00003867203712
                   -1 :              -0.00005184485192
                   +0 :              -0.00001795527826
                   +1 :              -0.00000127375491
                   +2 :               0.00004139578937
              9 vec=     0.000000      6.230835     14.784412   |vec|=   16.043757
                2s
                   +0 :               0.00005355071565
                2p
                   -1 :              -0.00000454181131
                   +0 :              -0.00000209290574
                   +1 :              -0.00005253958547
                3s
                   +0 :              -0.00009880017869
                4s
                   +0 :               0.00001800695658
                3p
                   -1 :               0.00003691987480
                   +0 :               0.00008294968978
                   +1 :               0.00027001754291
                4p
                   -1 :              -0.00000541097963
                   +0 :              -0.00003199050297
                   +1 :              -0.00005711232959
                3d
                   -2 :              -0.00002843900108
                   -1 :               0.00004502603485
                   +0 :               0.00005737134878
                   +1 :               0.00001809675803
                   +2 :               0.00005512278754
             10 vec=    -7.780163     10.722714     -9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00002649254069
                2p
                   -1 :              -0.00005852439671
                   +0 :              -0.00000018228326
                   +1 :               0.00004072013454
                3s
                   +0 :               0.00003381481145
                4s
                   +0 :              -0.00003548307166
                3p
                   -1 :               0.00026358883461
                   +0 :              -0.00001311354305
                   +1 :              -0.00012052651522
                4p
                   -1 :              -0.00008190432189
                   +0 :               0.00000037506889
                   +1 :               0.00000454566206
                3d
                   -2 :              -0.00002193764488
                   -1 :              -0.00000555890472
                   +0 :               0.00001569694456
                   +1 :               0.00001662739584
                   +2 :              -0.00008089553722
             11 vec=     7.780163     10.722714     -9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00000861821127
                2p
                   -1 :               0.00001487015091
                   +0 :              -0.00000237280776
                   +1 :               0.00000633177856
                3s
                   +0 :               0.00016982243415
                4s
                   +0 :              -0.00006494276547
                3p
                   -1 :               0.00000327462536
                   +0 :              -0.00001034698431
                   +1 :               0.00002602021677
                4p
                   -1 :              -0.00002363113660
                   +0 :               0.00003295267388
                   +1 :              -0.00000758230797
                3d
                   -2 :               0.00000121375852
                   -1 :               0.00001199470618
                   +0 :              -0.00001783513090
                   +1 :              -0.00000596198019
                   +2 :               0.00003006812792
             12 vec=    -7.780163      1.738956     14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00012653523977
                2p
                   -1 :              -0.00001960376090
                   +0 :               0.00004059991351
                   +1 :              -0.00000789503448
                3s
                   +0 :              -0.00041241981896
                4s
                   +0 :               0.00010972997430
                3p
                   -1 :               0.00013234580881
                   +0 :              -0.00010818299650
                   +1 :               0.00004409506163
                4p
                   -1 :              -0.00001395725031
                   +0 :               0.00002844901667
                   +1 :              -0.00000643341140
                3d
                   -2 :              -0.00005245739714
                   -1 :               0.00000726768904
                   +0 :               0.00005306678066
                   +1 :              -0.00000836226317
                   +2 :              -0.00002960389676
             13 vec=     7.780163      1.738956     14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00004730270153
                2p
                   -1 :              -0.00005000888936
                   +0 :              -0.00000216147563
                   +1 :               0.00002251423993
                3s
                   +0 :               0.00014329610562
                4s
                   +0 :              -0.00001055021034
                3p
                   -1 :               0.00028148122380
                   +0 :              -0.00011258580710
                   +1 :              -0.00016000173549
                4p
                   -1 :              -0.00005416443771
                   +0 :               0.00003426223627
                   +1 :               0.00002746112702
                3d
                   -2 :              -0.00005019608593
                   -1 :               0.00003187184075
                   +0 :              -0.00010292752542
                   +1 :              -0.00006432473179
                   +2 :              -0.00002270357934
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al(  9)  npairs=  15
              1 vec=    -2.593388      1.738956     10.693319   |vec|=   11.139869
                2s
                   +0 :              -0.00075784853116
                2p
                   -1 :               0.00021817904619
                   +0 :              -0.00022415683843
                   +1 :              -0.00000724854875
                3s
                   +0 :               0.00238944456170
                4s
                   +0 :              -0.00051075405939
                3p
                   -1 :              -0.00078347635620
                   +0 :               0.00098111312688
                   +1 :              -0.00085186678760
                4p
                   -1 :               0.00017263435683
                   +0 :              -0.00012581971160
                   +1 :              -0.00003227058740
                3d
                   -2 :              -0.00022166542959
                   -1 :              -0.00005073886885
                   +0 :              -0.00036701815063
                   +1 :              -0.00037678587997
                   +2 :              -0.00013674077407
              2 vec=     5.186775     -2.752923     10.693319   |vec|=   12.199520
                2s
                   +0 :              -0.00019761587046
                2p
                   -1 :              -0.00019784997979
                   +0 :              -0.00003045023325
                   +1 :              -0.00017608392056
                3s
                   +0 :               0.00096137469886
                4s
                   +0 :              -0.00020453271517
                3p
                   -1 :               0.00101475412935
                   +0 :               0.00008850816160
                   +1 :               0.00088497639519
                4p
                   -1 :              -0.00026224863610
                   +0 :              -0.00002437549170
                   +1 :              -0.00018739745889
                3d
                   -2 :               0.00023467103874
                   -1 :               0.00024470897495
                   +0 :              -0.00031727730621
                   +1 :               0.00010998888776
                   +2 :              -0.00006089233067
              3 vec=    -2.593388     -7.244802     10.693319   |vec|=   13.174213
                2s
                   +0 :              -0.00007924970096
                2p
                   -1 :               0.00019185511255
                   +0 :              -0.00009989490016
                   +1 :               0.00008772656872
                3s
                   +0 :              -0.00103382281095
                4s
                   +0 :               0.00005540437074
                3p
                   -1 :               0.00013671361787
                   +0 :              -0.00054404301942
                   +1 :              -0.00035534248519
                4p
                   -1 :               0.00008737233739
                   +0 :              -0.00004927652797
                   +1 :               0.00009818715814
                3d
                   -2 :               0.00007359757989
                   -1 :               0.00019424273903
                   +0 :              -0.00001088708480
                   +1 :              -0.00004883087612
                   +2 :               0.00015136219223
              4 vec=     5.186775      6.230835     10.693319   |vec|=   13.419128
                2s
                   +0 :               0.00009559482738
                2p
                   -1 :               0.00001907683876
                   +0 :              -0.00000009064245
                   +1 :              -0.00021132250578
                3s
                   +0 :              -0.00023720058351
                4s
                   +0 :              -0.00009563126021
                3p
                   -1 :              -0.00017337107942
                   +0 :               0.00019162791147
                   +1 :               0.00078028306554
                4p
                   -1 :              -0.00002161742003
                   +0 :              -0.00020607388488
                   +1 :              -0.00015991269258
                3d
                   -2 :              -0.00007819346889
                   -1 :              -0.00015628556355
                   +0 :               0.00025857049640
                   +1 :               0.00021634473991
                   +2 :               0.00000713653315
              5 vec=    -2.593388      1.738956    -13.854224   |vec|=   14.201730
                2s
                   +0 :              -0.00007332897699
                2p
                   -1 :              -0.00000023312016
                   +0 :              -0.00002264011458
                   +1 :               0.00005011272922
                3s
                   +0 :               0.00010788698017
                4s
                   +0 :              -0.00001084139410
                3p
                   -1 :               0.00012176474236
                   +0 :               0.00014683985140
                   +1 :              -0.00023094099032
                4p
                   -1 :              -0.00001155242800
                   +0 :              -0.00007462627283
                   +1 :               0.00006746609828
                3d
                   -2 :               0.00000111433864
                   -1 :              -0.00001231426332
                   +0 :              -0.00000323359226
                   +1 :              -0.00006262427755
                   +2 :               0.00003007208570
              6 vec=     5.186775     -2.752923    -13.854224   |vec|=   15.047283
                2s
                   +0 :               0.00001570120850
                2p
                   -1 :              -0.00001815782887
                   +0 :              -0.00001053428635
                   +1 :              -0.00002655890223
                3s
                   +0 :               0.00000352994284
                4s
                   +0 :              -0.00002933315590
                3p
                   -1 :               0.00009407460029
                   +0 :               0.00008559642642
                   +1 :               0.00001408551724
                4p
                   -1 :               0.00001057813478
                   +0 :              -0.00000212839275
                   +1 :              -0.00003734681422
                3d
                   -2 :              -0.00000586353108
                   -1 :              -0.00002392927438
                   +0 :              -0.00003360887376
                   +1 :               0.00002543703421
                   +2 :              -0.00002019599389
              7 vec=   -10.373550     -2.752923     10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00004596776102
                2p
                   -1 :              -0.00003339500085
                   +0 :              -0.00006594151104
                   +1 :               0.00003663221514
                3s
                   +0 :               0.00019490505613
                4s
                   +0 :              -0.00013376493674
                3p
                   -1 :              -0.00000417665755
                   +0 :               0.00032602749274
                   +1 :              -0.00020967701664
                4p
                   -1 :               0.00000143979074
                   +0 :              -0.00009845149644
                   +1 :               0.00007360229592
                3d
                   -2 :               0.00005361049908
                   -1 :              -0.00004869307840
                   +0 :               0.00004918379579
                   +1 :              -0.00006731777772
                   +2 :               0.00002262542656
              8 vec=    -2.593388     10.722714     10.693319   |vec|=   15.363897
                2s
                   +0 :               0.00012332323402
                2p
                   -1 :               0.00001027942892
                   +0 :               0.00003150340262
                   +1 :              -0.00001540073934
                3s
                   +0 :              -0.00026474387184
                4s
                   +0 :              -0.00000105015009
                3p
                   -1 :               0.00014626885296
                   +0 :              -0.00010151627538
                   +1 :              -0.00000898244986
                4p
                   -1 :              -0.00012003543599
                   +0 :               0.00001861172069
                   +1 :               0.00001996426897
                3d
                   -2 :              -0.00001687483734
                   -1 :               0.00002553430098
                   +0 :              -0.00001958651149
                   +1 :              -0.00003766748463
                   +2 :              -0.00004859728731
              9 vec=    -2.593388     -7.244802    -13.854224   |vec|=   15.847786
                2s
                   +0 :              -0.00001170978072
                2p
                   -1 :               0.00002136896911
                   +0 :              -0.00004931596371
                   +1 :               0.00002047665717
                3s
                   +0 :               0.00003241669434
                4s
                   +0 :               0.00006842608966
                3p
                   -1 :              -0.00019170734583
                   +0 :               0.00037032350674
                   +1 :              -0.00015584191475
                4p
                   -1 :              -0.00000047623413
                   +0 :              -0.00014364036457
                   +1 :               0.00000331032035
                3d
                   -2 :               0.00003825225883
                   -1 :               0.00000713265549
                   +0 :              -0.00010652279450
                   +1 :               0.00001878839693
                   +2 :              -0.00001055656698
             10 vec=     5.186775      6.230835    -13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00006028139952
                2p
                   -1 :              -0.00003375223593
                   +0 :              -0.00002573080192
                   +1 :               0.00005606347077
                3s
                   +0 :              -0.00000437522436
                4s
                   +0 :               0.00003251572655
                3p
                   -1 :               0.00032181986405
                   +0 :               0.00006173553041
                   +1 :              -0.00029620751843
                4p
                   -1 :              -0.00004802325504
                   +0 :              -0.00000725264435
                   +1 :               0.00002869886398
                3d
                   -2 :               0.00000330063436
                   -1 :               0.00003419039453
                   +0 :              -0.00005093674569
                   +1 :               0.00001207596100
                   +2 :              -0.00004635115682
             11 vec=   -10.373550      6.230835     10.693319   |vec|=   16.148712
                2s
                   +0 :              -0.00030244552099
                2p
                   -1 :              -0.00007371664602
                   +0 :              -0.00013204794102
                   +1 :               0.00010534600571
                3s
                   +0 :               0.00100837800561
                4s
                   +0 :              -0.00033338842051
                3p
                   -1 :               0.00033277388028
                   +0 :               0.00062764791579
                   +1 :              -0.00045044903923
                4p
                   -1 :              -0.00005907508604
                   +0 :              -0.00019197496474
                   +1 :               0.00008663471623
                3d
                   -2 :              -0.00002413960987
                   -1 :               0.00007907252828
                   +0 :               0.00006764407431
                   +1 :              -0.00011937113585
                   +2 :              -0.00002171560550
             12 vec=     5.186775    -11.736681     10.693319   |vec|=   16.703274
                2s
                   +0 :              -0.00003292579487
                2p
                   -1 :               0.00000549201043
                   +0 :              -0.00001572694183
                   +1 :              -0.00001897812307
                3s
                   +0 :               0.00020991254303
                4s
                   +0 :              -0.00004073482543
                3p
                   -1 :              -0.00006626788601
                   +0 :               0.00016205566527
                   +1 :               0.00009277013302
                4p
                   -1 :               0.00000489800227
                   +0 :              -0.00001511405571
                   +1 :              -0.00003092088593
                3d
                   -2 :              -0.00001546343182
                   -1 :              -0.00003257070218
                   +0 :               0.00003539959020
                   +1 :               0.00003858006054
                   +2 :              -0.00001256877557
             13 vec=    12.966938      1.738956     10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00015120807329
                2p
                   -1 :              -0.00004642369710
                   +0 :              -0.00004385321259
                   +1 :              -0.00003641200074
                3s
                   +0 :               0.00054749907018
                4s
                   +0 :              -0.00011577870932
                3p
                   -1 :               0.00026891407005
                   +0 :               0.00028869863424
                   +1 :               0.00011711582959
                4p
                   -1 :              -0.00007275956726
                   +0 :              -0.00003923634282
                   +1 :               0.00001981006716
                3d
                   -2 :               0.00002526358885
                   -1 :               0.00002642423241
                   +0 :               0.00006285233865
                   +1 :               0.00002573901115
                   +2 :               0.00001128829636
             14 vec=   -10.373550     -2.752923    -13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00003969273431
                2p
                   -1 :               0.00000226816942
                   +0 :              -0.00000424349843
                   +1 :              -0.00001690779011
                3s
                   +0 :              -0.00025855561726
                4s
                   +0 :               0.00006597949054
                3p
                   -1 :               0.00001856566895
                   +0 :               0.00006814894390
                   +1 :               0.00017807570470
                4p
                   -1 :               0.00000057124912
                   +0 :              -0.00001714684326
                   +1 :              -0.00002698707838
                3d
                   -2 :              -0.00001771783513
                   -1 :               0.00000626981226
                   +0 :               0.00003410480480
                   +1 :              -0.00003073798854
                   +2 :              -0.00002866863393
             15 vec=    -2.593388     10.722714    -13.854224   |vec|=   17.709934
                2s
                   +0 :              -0.00007446218296
                2p
                   -1 :              -0.00003764746627
                   +0 :               0.00000105092489
                   +1 :               0.00000102546777
                3s
                   +0 :               0.00021528771881
                4s
                   +0 :              -0.00005681324675
                3p
                   -1 :               0.00019599874957
                   +0 :               0.00003616475627
                   +1 :              -0.00003321916819
                4p
                   -1 :              -0.00002830798427
                   +0 :              -0.00002365719171
                   +1 :               0.00000557983468
                3d
                   -2 :              -0.00001393519123
                   -1 :              -0.00001182178990
                   +0 :              -0.00002761253078
                   +1 :              -0.00000003534159
                   +2 :              -0.00002745837665
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al( 10)  npairs=  13
              1 vec=    -2.593388      1.738956     -6.601898   |vec|=    7.303060
                2s
                   +0 :              -0.00024893757525
                2p
                   -1 :               0.00011534797499
                   +0 :              -0.00056900628547
                   +1 :               0.00011994669700
                3s
                   +0 :               0.00102373737971
                4s
                   +0 :               0.00048054997846
                3p
                   -1 :              -0.00363138350134
                   +0 :              -0.00099754759083
                   +1 :              -0.00076286305566
                4p
                   -1 :               0.00055565443434
                   +0 :              -0.00064586078107
                   +1 :              -0.00082823217347
                3d
                   -2 :               0.00071881033119
                   -1 :               0.00040634048916
                   +0 :               0.00103343127724
                   +1 :               0.00182639474088
                   +2 :               0.00121718466853
              2 vec=     5.186775     -2.752923     -6.601898   |vec|=    8.835512
                2s
                   +0 :              -0.00183226873888
                2p
                   -1 :              -0.00030580250289
                   +0 :               0.00028033373197
                   +1 :              -0.00037665179391
                3s
                   +0 :               0.01707199822035
                4s
                   +0 :              -0.00305786305725
                3p
                   -1 :              -0.00137450097350
                   +0 :              -0.00880460938812
                   +1 :               0.00829055390617
                4p
                   -1 :              -0.00067776999113
                   +0 :               0.00085372088823
                   +1 :              -0.00075341298518
                3d
                   -2 :              -0.00182130923364
                   -1 :               0.00116053513867
                   +0 :               0.00079432491052
                   +1 :              -0.00281481832013
                   +2 :               0.00150899019054
              3 vec=    -2.593388     -7.244802     -6.601898   |vec|=   10.138928
                2s
                   +0 :              -0.00109989975812
                2p
                   -1 :               0.00043474271048
                   +0 :               0.00051615621599
                   +1 :               0.00012598279798
                3s
                   +0 :               0.00412011829032
                4s
                   +0 :              -0.00168324432466
                3p
                   -1 :              -0.00206342321097
                   +0 :              -0.00339462713672
                   +1 :              -0.00103320158909
                4p
                   -1 :               0.00072401433550
                   +0 :               0.00085810539653
                   +1 :               0.00016617793795
                3d
                   -2 :               0.00028115422847
                   -1 :               0.00060835243060
                   +0 :              -0.00016182906093
                   +1 :               0.00032200834881
                   +2 :              -0.00023512429651
              4 vec=     5.186775      6.230835     -6.601898   |vec|=   10.455190
                2s
                   +0 :              -0.00107916110918
                2p
                   -1 :              -0.00048904445546
                   +0 :               0.00017605554095
                   +1 :              -0.00016011831626
                3s
                   +0 :               0.00455792261964
                4s
                   +0 :              -0.00159642178701
                3p
                   -1 :               0.00288865681936
                   +0 :              -0.00183630583937
                   +1 :               0.00126898155864
                4p
                   -1 :              -0.00080744148576
                   +0 :               0.00049968420841
                   +1 :              -0.00036838587586
                3d
                   -2 :               0.00041106557226
                   -1 :              -0.00077166555551
                   +0 :              -0.00001485613734
                   +1 :               0.00008829672448
                   +2 :              -0.00038156126934
              5 vec=   -10.373550     -2.752923     -6.601898   |vec|=   12.600563
                2s
                   +0 :              -0.00020591071260
                2p
                   -1 :               0.00014667379746
                   +0 :               0.00005637936569
                   +1 :               0.00025472399462
                3s
                   +0 :              -0.00018852348625
                4s
                   +0 :               0.00001262663665
                3p
                   -1 :              -0.00038586400851
                   +0 :               0.00025732358345
                   +1 :              -0.00088309742206
                4p
                   -1 :               0.00009112242948
                   +0 :               0.00000677237815
                   +1 :               0.00031186396553
                3d
                   -2 :               0.00006646045525
                   -1 :              -0.00001258036611
                   +0 :              -0.00013305133727
                   +1 :              -0.00002153183861
                   +2 :              -0.00005913999948
              6 vec=    -2.593388     10.722714     -6.601898   |vec|=   12.856411
                2s
                   +0 :               0.00011242403526
                2p
                   -1 :              -0.00005548571887
                   +0 :               0.00015757199635
                   +1 :              -0.00002951624020
                3s
                   +0 :              -0.00077575112479
                4s
                   +0 :               0.00007302134597
                3p
                   -1 :              -0.00011175503159
                   +0 :              -0.00032957293115
                   +1 :               0.00012763118827
                4p
                   -1 :              -0.00004253268764
                   +0 :               0.00010777309886
                   +1 :              -0.00002075967810
                3d
                   -2 :               0.00003300663659
                   -1 :              -0.00008007807852
                   +0 :               0.00019557944914
                   +1 :               0.00003989391104
                   +2 :               0.00017602936610
              7 vec=   -10.373550      6.230835     -6.601898   |vec|=   13.784734
                2s
                   +0 :               0.00005516546400
                2p
                   -1 :               0.00026650991796
                   +0 :               0.00001632098129
                   +1 :               0.00000484222905
                3s
                   +0 :              -0.00066919130728
                4s
                   +0 :               0.00045752220122
                3p
                   -1 :              -0.00136868053468
                   +0 :               0.00006071704586
                   +1 :               0.00051960367433
                4p
                   -1 :               0.00041009771309
                   +0 :              -0.00011018011912
                   +1 :              -0.00036293770627
                3d
                   -2 :               0.00007385032066
                   -1 :               0.00005289314736
                   +0 :               0.00008498828131
                   +1 :               0.00002251745635
                   +2 :              -0.00016525943547
              8 vec=     5.186775    -11.736681     -6.601898   |vec|=   14.430432
                2s
                   +0 :              -0.00013713646693
                2p
                   -1 :              -0.00003302847224
                   +0 :               0.00007173647435
                   +1 :              -0.00008817876401
                3s
                   +0 :               0.00042962757969
                4s
                   +0 :               0.00000628918657
                3p
                   -1 :               0.00029473213758
                   +0 :              -0.00031100246926
                   +1 :               0.00028429372268
                4p
                   -1 :              -0.00020004931386
                   +0 :               0.00001957200661
                   +1 :              -0.00005592937609
                3d
                   -2 :               0.00008355928484
                   -1 :               0.00002443712226
                   +0 :               0.00003807495658
                   +1 :              -0.00010960310704
                   +2 :               0.00009815779819
              9 vec=    12.966938      1.738956     -6.601898   |vec|=   14.654368
                2s
                   +0 :               0.00014666038168
                2p
                   -1 :              -0.00004682627411
                   +0 :              -0.00003049148953
                   +1 :               0.00006026361451
                3s
                   +0 :              -0.00025787108145
                4s
                   +0 :              -0.00002808347066
                3p
                   -1 :               0.00034348177835
                   +0 :               0.00004313492536
                   +1 :              -0.00025065557649
                4p
                   -1 :              -0.00009533456794
                   +0 :               0.00004162013212
                   +1 :               0.00001416804046
                3d
                   -2 :               0.00008301839119
                   -1 :              -0.00005891294337
                   +0 :               0.00007663292364
                   +1 :               0.00007438507446
                   +2 :              -0.00000301507200
             10 vec=    12.966938     -7.244802     -6.601898   |vec|=   16.254651
                2s
                   +0 :              -0.00014925538174
                2p
                   -1 :              -0.00000342156336
                   +0 :               0.00004952614099
                   +1 :              -0.00006582938296
                3s
                   +0 :               0.00049483860078
                4s
                   +0 :              -0.00008721972024
                3p
                   -1 :               0.00007369550582
                   +0 :              -0.00021980355144
                   +1 :               0.00026389909386
                4p
                   -1 :              -0.00005001011401
                   +0 :               0.00005742277919
                   +1 :              -0.00003094755595
                3d
                   -2 :               0.00001816818289
                   -1 :               0.00003138756332
                   +0 :               0.00002849445509
                   +1 :              -0.00002235888979
                   +2 :               0.00004651055372
             11 vec=   -10.373550    -11.736681     -6.601898   |vec|=   16.998390
                2s
                   +0 :               0.00007339625879
                2p
                   -1 :              -0.00000505394961
                   +0 :              -0.00002803083145
                   +1 :              -0.00003843560660
                3s
                   +0 :              -0.00040092937045
                4s
                   +0 :               0.00010176309799
                3p
                   -1 :               0.00006370810844
                   +0 :               0.00020755034871
                   +1 :               0.00025458114780
                4p
                   -1 :              -0.00001112246896
                   +0 :              -0.00003410202381
                   +1 :              -0.00003979538064
                3d
                   -2 :               0.00000237471275
                   -1 :              -0.00002110110134
                   +0 :              -0.00000347240824
                   +1 :              -0.00004849859153
                   +2 :              -0.00004990542230
             12 vec=     5.186775     15.214593     -6.601898   |vec|=   17.377328
                2s
                   +0 :               0.00003684989453
                2p
                   -1 :               0.00002156602569
                   +0 :              -0.00002733807304
                   +1 :               0.00000230719538
                3s
                   +0 :              -0.00009132784932
                4s
                   +0 :               0.00004121271278
                3p
                   -1 :              -0.00007135001356
                   +0 :               0.00011953109045
                   +1 :              -0.00002947827359
                4p
                   -1 :               0.00001802001294
                   +0 :              -0.00003049942685
                   +1 :               0.00000569475035
                3d
                   -2 :               0.00001014260395
                   -1 :               0.00003508609669
                   +0 :              -0.00001292935530
                   +1 :               0.00000272571673
                   +2 :              -0.00000754410263
             13 vec=    -2.593388    -16.228560     -6.601898   |vec|=   17.710925
                2s
                   +0 :              -0.00000942919755
                2p
                   -1 :               0.00001200344443
                   +0 :              -0.00000365961634
                   +1 :               0.00001209958009
                3s
                   +0 :               0.00006496136487
                4s
                   +0 :              -0.00003777864759
                3p
                   -1 :              -0.00011156898019
                   +0 :              -0.00000459771849
                   +1 :              -0.00001815336710
                4p
                   -1 :               0.00004788411822
                   +0 :               0.00001008789736
                   +1 :              -0.00001472835013
                3d
                   -2 :              -0.00000928857969
                   -1 :              -0.00000880838379
                   +0 :              -0.00001100814723
                   +1 :               0.00000914872387
                   +2 :              -0.00001453397073
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al( 11)  npairs=  14
              1 vec=    -2.593388      1.738956      5.671873   |vec|=    6.474548
                2s
                   +0 :               0.00215187247150
                2p
                   -1 :               0.00089187608990
                   +0 :               0.00178836804818
                   +1 :              -0.00017278134209
                3s
                   +0 :              -0.00619133753525
                4s
                   +0 :               0.00459834051452
                3p
                   -1 :              -0.00423567134150
                   +0 :              -0.01273167738551
                   +1 :               0.00095289367531
                4p
                   -1 :               0.00108459886358
                   +0 :               0.00529847250745
                   +1 :              -0.00073116767170
                3d
                   -2 :               0.00143345915790
                   -1 :               0.00039480671129
                   +0 :              -0.00315658599497
                   +1 :               0.00205842758729
                   +2 :              -0.00108769696030
              2 vec=     5.186775     -2.752923      5.671873   |vec|=    8.164029
                2s
                   +0 :               0.00047170819356
                2p
                   -1 :              -0.00050290576276
                   +0 :              -0.00017709729602
                   +1 :              -0.00022637520444
                3s
                   +0 :               0.00459331348537
                4s
                   +0 :              -0.00029725376962
                3p
                   -1 :               0.00093783020614
                   +0 :              -0.00097231304138
                   +1 :               0.00490179889215
                4p
                   -1 :              -0.00065707390680
                   +0 :              -0.00015011408697
                   +1 :              -0.00022312362830
                3d
                   -2 :              -0.00134339580512
                   -1 :               0.00090146564889
                   +0 :              -0.00195066252345
                   +1 :              -0.00043349385992
                   +2 :               0.00115532491982
              3 vec=    -2.593388     -7.244802      5.671873   |vec|=    9.559444
                2s
                   +0 :              -0.00066430485430
                2p
                   -1 :               0.00035558828149
                   +0 :              -0.00045448808981
                   +1 :               0.00075460310680
                3s
                   +0 :               0.00220275594109
                4s
                   +0 :              -0.00079436859502
                3p
                   -1 :              -0.00238636720965
                   +0 :               0.00138082713038
                   +1 :              -0.00309456035929
                4p
                   -1 :               0.00077989753842
                   +0 :              -0.00026568379604
                   +1 :               0.00050744598991
                3d
                   -2 :               0.00043132673323
                   -1 :              -0.00034668596507
                   +0 :              -0.00032331403840
                   +1 :              -0.00036327027438
                   +2 :               0.00002807251540
              4 vec=     5.186775      6.230835      5.671873   |vec|=    9.894245
                2s
                   +0 :               0.00130834877998
                2p
                   -1 :               0.00113667006002
                   +0 :              -0.00039569103716
                   +1 :              -0.00077585621235
                3s
                   +0 :              -0.00332649568297
                4s
                   +0 :               0.00069211941109
                3p
                   -1 :              -0.00472582828829
                   +0 :               0.00291303433511
                   +1 :               0.00404175367861
                4p
                   -1 :               0.00061394361280
                   +0 :              -0.00130535872810
                   +1 :              -0.00096978402905
                3d
                   -2 :               0.00046746042026
                   -1 :               0.00023751569989
                   +0 :               0.00071034693548
                   +1 :               0.00067964553289
                   +2 :               0.00076423064820
              5 vec=   -10.373550     -2.752923      5.671873   |vec|=   12.139163
                2s
                   +0 :              -0.00033467348566
                2p
                   -1 :               0.00018867808671
                   +0 :              -0.00011284333102
                   +1 :               0.00020466965780
                3s
                   +0 :               0.00080860021869
                4s
                   +0 :              -0.00040834798184
                3p
                   -1 :              -0.00074738585827
                   +0 :               0.00035877492447
                   +1 :              -0.00086853359208
                4p
                   -1 :               0.00024751642285
                   +0 :              -0.00016841445233
                   +1 :               0.00025063539153
                3d
                   -2 :               0.00009815266657
                   -1 :              -0.00015481557709
                   +0 :              -0.00007023964908
                   +1 :              -0.00011539874049
                   +2 :               0.00002717460257
              6 vec=    -2.593388     10.722714      5.671873   |vec|=   12.404532
                2s
                   +0 :               0.00007674604772
                2p
                   -1 :               0.00012672173087
                   +0 :               0.00006721011343
                   +1 :               0.00012048671354
                3s
                   +0 :              -0.00046068684301
                4s
                   +0 :              -0.00004842122110
                3p
                   -1 :              -0.00076839563690
                   +0 :              -0.00012983811361
                   +1 :              -0.00053618752207
                4p
                   -1 :               0.00001886905361
                   +0 :              -0.00003858256699
                   +1 :               0.00016871609475
                3d
                   -2 :               0.00007752260620
                   -1 :              -0.00015486530713
                   +0 :               0.00005993806943
                   +1 :              -0.00001663393037
                   +2 :               0.00032127545114
              7 vec=   -10.373550      6.230835      5.671873   |vec|=   13.364281
                2s
                   +0 :              -0.00017282271411
                2p
                   -1 :              -0.00004629839092
                   +0 :               0.00003703648688
                   +1 :               0.00000142903892
                3s
                   +0 :               0.00059465276767
                4s
                   +0 :              -0.00021428561389
                3p
                   -1 :               0.00028457644340
                   +0 :              -0.00008814637704
                   +1 :              -0.00014486396275
                4p
                   -1 :              -0.00010087419600
                   +0 :               0.00001740777316
                   +1 :               0.00009692548562
                3d
                   -2 :               0.00008362932021
                   -1 :              -0.00013178305278
                   +0 :              -0.00008446450168
                   +1 :              -0.00002677370201
                   +2 :               0.00000976525874
              8 vec=     5.186775    -11.736681      5.671873   |vec|=   14.029343
                2s
                   +0 :              -0.00023269410851
                2p
                   -1 :              -0.00005994444214
                   +0 :              -0.00004848155122
                   +1 :              -0.00011583629986
                3s
                   +0 :               0.00078325528920
                4s
                   +0 :              -0.00017840259818
                3p
                   -1 :               0.00035108494862
                   +0 :               0.00022954880119
                   +1 :               0.00061208919012
                4p
                   -1 :              -0.00013920087654
                   +0 :              -0.00008156382167
                   +1 :              -0.00012296566807
                3d
                   -2 :              -0.00004161074478
                   -1 :               0.00011311874303
                   +0 :               0.00000034653282
                   +1 :               0.00014039081662
                   +2 :               0.00012442506960
              9 vec=    12.966938      1.738956      5.671873   |vec|=   14.259579
                2s
                   +0 :               0.00000500663391
                2p
                   -1 :               0.00004094944255
                   +0 :               0.00007156142623
                   +1 :               0.00012150750477
                3s
                   +0 :              -0.00005499882337
                4s
                   +0 :               0.00005740433931
                3p
                   -1 :              -0.00021189380487
                   +0 :              -0.00025486451162
                   +1 :              -0.00069551227241
                4p
                   -1 :               0.00004278482245
                   +0 :               0.00003321357389
                   +1 :               0.00018151649462
                3d
                   -2 :               0.00001754753372
                   -1 :              -0.00015462999592
                   +0 :               0.00011584574196
                   +1 :              -0.00011970689766
                   +2 :              -0.00013858070193
             10 vec=    12.966938     -7.244802      5.671873   |vec|=   15.899647
                2s
                   +0 :               0.00019378067789
                2p
                   -1 :              -0.00007693429164
                   +0 :               0.00002959724171
                   +1 :               0.00013290360027
                3s
                   +0 :              -0.00059281264049
                4s
                   +0 :               0.00017173110979
                3p
                   -1 :               0.00039566925799
                   +0 :              -0.00002599802438
                   +1 :              -0.00067616422265
                4p
                   -1 :              -0.00009339958481
                   +0 :              -0.00003770870515
                   +1 :               0.00014229822660
                3d
                   -2 :               0.00015846076677
                   -1 :               0.00001483088759
                   +0 :               0.00009473159513
                   +1 :              -0.00007319755133
                   +2 :              -0.00006738951931
             11 vec=   -10.373550    -11.736681      5.671873   |vec|=   16.659243
                2s
                   +0 :              -0.00004911092432
                2p
                   -1 :               0.00000092936729
                   +0 :               0.00000961041943
                   +1 :              -0.00000996403946
                3s
                   +0 :              -0.00000112824577
                4s
                   +0 :              -0.00003224510256
                3p
                   -1 :               0.00002648224707
                   +0 :              -0.00007107377390
                   +1 :               0.00016619862121
                4p
                   -1 :               0.00000750822058
                   +0 :               0.00001703118485
                   +1 :              -0.00003315553885
                3d
                   -2 :              -0.00003126021937
                   -1 :               0.00000437765910
                   +0 :               0.00001889518897
                   +1 :              -0.00000093486488
                   +2 :              -0.00001801850017
             12 vec=     5.186775     15.214593      5.671873   |vec|=   17.045722
                2s
                   +0 :               0.00010484629854
                2p
                   -1 :               0.00006742427171
                   +0 :               0.00003585116780
                   +1 :               0.00001773196310
                3s
                   +0 :              -0.00042682871930
                4s
                   +0 :               0.00013319248743
                3p
                   -1 :              -0.00039082996921
                   +0 :              -0.00020644031478
                   +1 :              -0.00012704683412
                4p
                   -1 :               0.00008824481373
                   +0 :               0.00004593195228
                   +1 :               0.00005801020746
                3d
                   -2 :               0.00001306716411
                   -1 :              -0.00011718870955
                   +0 :              -0.00001269439422
                   +1 :              -0.00000372112214
                   +2 :               0.00008084730641
             13 vec=    -2.593388    -16.228560      5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00002345167217
                2p
                   -1 :              -0.00000790789574
                   +0 :              -0.00001967067193
                   +1 :              -0.00002598901398
                3s
                   +0 :              -0.00001862705740
                4s
                   +0 :              -0.00001330713867
                3p
                   -1 :              -0.00000577995562
                   +0 :               0.00008122507988
                   +1 :               0.00012554753436
                4p
                   -1 :               0.00001596143849
                   +0 :              -0.00001093725869
                   +1 :              -0.00004645019703
                3d
                   -2 :              -0.00001137850512
                   -1 :              -0.00000336985585
                   +0 :               0.00000458829111
                   +1 :               0.00000186899946
                   +2 :               0.00000768478132
             14 vec=    12.966938     10.722714      5.671873   |vec|=   17.756357
                2s
                   +0 :              -0.00000247357296
                2p
                   -1 :               0.00001364372315
                   +0 :              -0.00001549590393
                   +1 :              -0.00000873278747
                3s
                   +0 :               0.00012252305276
                4s
                   +0 :              -0.00005795737098
                3p
                   -1 :               0.00005333558878
                   +0 :               0.00002475938078
                   +1 :               0.00006025941954
                4p
                   -1 :              -0.00004296700641
                   +0 :               0.00002359345352
                   +1 :              -0.00000779459619
                3d
                   -2 :              -0.00003211337082
                   -1 :              -0.00003159900580
                   +0 :              -0.00000474373064
                   +1 :               0.00002592537136
                   +2 :               0.00001822149181
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site Al( 12)  npairs=  14
              1 vec=    -2.593388      1.738956     -1.580453   |vec|=    3.499637
                2s
                   +0 :              -0.03824062444522
                2p
                   -1 :              -0.02220461903884
                   +0 :               0.02359685210022
                   +1 :               0.02798730476758
                3s
                   +0 :              -0.07997745210199
                4s
                   +0 :              -0.01632884058819
                3p
                   -1 :              -0.05617429855638
                   +0 :               0.04428557352932
                   +1 :               0.02346986811726
                4p
                   -1 :              -0.00866795443647
                   +0 :               0.01110674229537
                   +1 :               0.01890097098275
                3d
                   -2 :               0.03494766088167
                   -1 :               0.03506149945435
                   +0 :              -0.00474575727908
                   +1 :              -0.03520234812160
                   +2 :               0.00649934180994
              2 vec=     5.186775     -2.752923     -1.580453   |vec|=    6.081040
                2s
                   +0 :              -0.00343082634745
                2p
                   -1 :               0.00166131871545
                   +0 :               0.00164882182185
                   +1 :              -0.00151425742084
                3s
                   +0 :               0.00262608108604
                4s
                   +0 :              -0.00462758320222
                3p
                   -1 :              -0.00815040146391
                   +0 :              -0.00877740362144
                   +1 :               0.00298922496649
                4p
                   -1 :               0.00313886536132
                   +0 :               0.00309207156583
                   +1 :              -0.00126410703627
                3d
                   -2 :              -0.00441321648793
                   -1 :               0.00150955665145
                   +0 :              -0.00279266750418
                   +1 :              -0.00264856305541
                   +2 :               0.00197779737430
              3 vec=    -2.593388     -7.244802     -1.580453   |vec|=    7.855612
                2s
                   +0 :              -0.00022686165116
                2p
                   -1 :              -0.00020376298181
                   +0 :              -0.00073954607424
                   +1 :               0.00016826679604
                3s
                   +0 :              -0.00965439652117
                4s
                   +0 :               0.00010275202781
                3p
                   -1 :               0.00673010800046
                   +0 :               0.00918117674538
                   +1 :              -0.00151362023834
                4p
                   -1 :               0.00009485095434
                   +0 :              -0.00091485581412
                   +1 :              -0.00010201275691
                3d
                   -2 :               0.00080312925444
                   -1 :              -0.00394761479031
                   +0 :              -0.00045449440770
                   +1 :              -0.00029309985023
                   +2 :               0.00159574063926
              4 vec=     5.186775      6.230835     -1.580453   |vec|=    8.259768
                2s
                   +0 :              -0.00062919096539
                2p
                   -1 :               0.00087086129238
                   +0 :               0.00057537664368
                   +1 :              -0.00047086737732
                3s
                   +0 :               0.00501835669642
                4s
                   +0 :              -0.00138146905293
                3p
                   -1 :              -0.00697645257352
                   +0 :              -0.00555588308525
                   +1 :               0.00431221768359
                4p
                   -1 :               0.00099467518630
                   +0 :               0.00106130435121
                   +1 :              -0.00105649419288
                3d
                   -2 :              -0.00232487062496
                   -1 :               0.00136730250205
                   +0 :               0.00089157522338
                   +1 :              -0.00191927293626
                   +2 :               0.00195572276476
              5 vec=   -10.373550     -2.752923     -1.580453   |vec|=   10.848362
                2s
                   +0 :               0.00047534107302
                2p
                   -1 :               0.00025130739608
                   +0 :               0.00013840644787
                   +1 :              -0.00050758024643
                3s
                   +0 :              -0.00205051307609
                4s
                   +0 :               0.00038122654670
                3p
                   -1 :              -0.00098785238350
                   +0 :               0.00001525536963
                   +1 :               0.00243997400800
                4p
                   -1 :               0.00030454560228
                   +0 :              -0.00001146598621
                   +1 :              -0.00044710905239
                3d
                   -2 :               0.00034897797681
                   -1 :              -0.00010918888277
                   +0 :               0.00021696791448
                   +1 :              -0.00021314990082
                   +2 :              -0.00094214736568
              6 vec=    -2.593388     10.722714     -1.580453   |vec|=   11.144509
                2s
                   +0 :              -0.00038748120324
                2p
                   -1 :              -0.00000083394798
                   +0 :              -0.00019498452847
                   +1 :               0.00010753044683
                3s
                   +0 :               0.00186297754569
                4s
                   +0 :               0.00019155091759
                3p
                   -1 :               0.00002716680242
                   +0 :               0.00051828145270
                   +1 :              -0.00127421216365
                4p
                   -1 :               0.00029703175374
                   +0 :              -0.00017278646869
                   +1 :               0.00005825920750
                3d
                   -2 :              -0.00081342439832
                   -1 :               0.00037684708038
                   +0 :               0.00028633199393
                   +1 :               0.00045418389815
                   +2 :               0.00020377627142
              7 vec=   -10.373550      6.230835     -1.580453   |vec|=   12.203757
                2s
                   +0 :               0.00002132402090
                2p
                   -1 :               0.00012332405024
                   +0 :               0.00006165376690
                   +1 :               0.00007852315830
                3s
                   +0 :              -0.00060342109230
                4s
                   +0 :              -0.00004590509068
                3p
                   -1 :              -0.00073685484971
                   +0 :               0.00013835247880
                   +1 :               0.00014345056484
                4p
                   -1 :               0.00029907452469
                   +0 :               0.00007947861126
                   +1 :               0.00011196017657
                3d
                   -2 :               0.00003385229838
                   -1 :              -0.00007291473848
                   +0 :               0.00007124436400
                   +1 :              -0.00006566315992
                   +2 :              -0.00010148423416
              8 vec=     5.186775    -11.736681     -1.580453   |vec|=   12.928656
                2s
                   +0 :               0.00008068940055
                2p
                   -1 :              -0.00007321258021
                   +0 :              -0.00013077754465
                   +1 :              -0.00000476063495
                3s
                   +0 :               0.00082916528113
                4s
                   +0 :              -0.00009091548726
                3p
                   -1 :              -0.00044722607327
                   +0 :              -0.00004191597424
                   +1 :              -0.00048128619839
                4p
                   -1 :               0.00003833801885
                   +0 :              -0.00012775752221
                   +1 :              -0.00000634877167
                3d
                   -2 :               0.00027031094793
                   -1 :               0.00017820155461
                   +0 :               0.00017471550025
                   +1 :               0.00014838425200
                   +2 :              -0.00010469471933
              9 vec=    12.966938      1.738956     -1.580453   |vec|=   13.178136
                2s
                   +0 :              -0.00006042258895
                2p
                   -1 :               0.00016751413015
                   +0 :               0.00007853648641
                   +1 :               0.00002474039840
                3s
                   +0 :               0.00262780980269
                4s
                   +0 :              -0.00005032092162
                3p
                   -1 :               0.00058479249882
                   +0 :              -0.00230517285245
                   +1 :               0.00113745552997
                4p
                   -1 :               0.00014397236722
                   +0 :               0.00032774881447
                   +1 :               0.00009463233477
                3d
                   -2 :               0.00040845822408
                   -1 :              -0.00050733795439
                   +0 :               0.00023411066145
                   +1 :              -0.00086195924833
                   +2 :               0.00004473371150
             10 vec=    12.966938     -7.244802     -1.580453   |vec|=   14.937418
                2s
                   +0 :              -0.00015588469062
                2p
                   -1 :               0.00000220298796
                   +0 :              -0.00002050503117
                   +1 :               0.00000461489058
                3s
                   +0 :               0.00077631847900
                4s
                   +0 :              -0.00013296323098
                3p
                   -1 :              -0.00001901064280
                   +0 :              -0.00006929906627
                   +1 :              -0.00001004604713
                4p
                   -1 :              -0.00003605404188
                   +0 :              -0.00004516831721
                   +1 :               0.00001435407833
                3d
                   -2 :               0.00005685985634
                   -1 :               0.00003795793371
                   +0 :               0.00003997438541
                   +1 :               0.00004925961372
                   +2 :               0.00000138129106
             11 vec=   -10.373550    -11.736681     -1.580453   |vec|=   15.743508
                2s
                   +0 :               0.00006452105474
                2p
                   -1 :               0.00000158302746
                   +0 :              -0.00000734446138
                   +1 :              -0.00004026836854
                3s
                   +0 :              -0.00024564550691
                4s
                   +0 :               0.00009037956166
                3p
                   -1 :               0.00005550592065
                   +0 :               0.00008145654273
                   +1 :               0.00025297232970
                4p
                   -1 :              -0.00002232416168
                   +0 :              -0.00002433594367
                   +1 :              -0.00006584119689
                3d
                   -2 :              -0.00006228900700
                   -1 :               0.00000488225233
                   +0 :               0.00004382222316
                   +1 :               0.00000464481012
                   +2 :              -0.00004102330110
             12 vec=     5.186775     15.214593     -1.580453   |vec|=   16.151913
                2s
                   +0 :               0.00002070573929
                2p
                   -1 :               0.00001992911023
                   +0 :              -0.00000059033704
                   +1 :               0.00000090776764
                3s
                   +0 :              -0.00022574362874
                4s
                   +0 :               0.00011986272279
                3p
                   -1 :              -0.00020931812213
                   +0 :               0.00005305107517
                   +1 :              -0.00010136261670
                4p
                   -1 :               0.00012258946353
                   +0 :              -0.00002816883095
                   +1 :               0.00001304865607
                3d
                   -2 :               0.00003547670465
                   -1 :              -0.00002644540104
                   +0 :              -0.00004255072099
                   +1 :               0.00002653932771
                   +2 :              -0.00001802018569
             13 vec=    -2.593388    -16.228560     -1.580453   |vec|=   16.510289
                2s
                   +0 :              -0.00002882324523
                2p
                   -1 :               0.00000374832365
                   +0 :              -0.00001448173214
                   +1 :              -0.00001827810641
                3s
                   +0 :               0.00026814339484
                4s
                   +0 :              -0.00004000563948
                3p
                   -1 :              -0.00017635216363
                   +0 :              -0.00002505404346
                   +1 :               0.00009490085120
                4p
                   -1 :               0.00001732333304
                   +0 :              -0.00001664860892
                   +1 :              -0.00000398427748
                3d
                   -2 :              -0.00001987216846
                   -1 :               0.00004790068651
                   +0 :               0.00000681892249
                   +1 :              -0.00002643908696
                   +2 :              -0.00002215915607
             14 vec=    12.966938     10.722714     -1.580453   |vec|=   16.900175
                2s
                   +0 :              -0.00000313427326
                2p
                   -1 :               0.00002465553490
                   +0 :              -0.00000975443443
                   +1 :              -0.00001099461116
                3s
                   +0 :               0.00022771159726
                4s
                   +0 :              -0.00008745907581
                3p
                   -1 :              -0.00007409661938
                   +0 :              -0.00006334000973
                   +1 :               0.00018579726517
                4p
                   -1 :               0.00001206666775
                   +0 :               0.00000618270218
                   +1 :              -0.00006266371614
                3d
                   -2 :              -0.00002184246189
                   -1 :               0.00000145369636
                   +0 :               0.00000488918369
                   +1 :              -0.00004315090477
                   +2 :               0.00003453871687
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 13)  npairs=  15
              1 vec=     4.977229      0.362644     -8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00010489513318
                2s
                   +0 :               0.00156627482445
                3s
                   +0 :              -0.00009996410612
                2p
                   -1 :               0.00304770189450
                   +0 :              -0.00267979923015
                   +1 :               0.00032460375866
                3p
                   -1 :              -0.00081926209300
                   +0 :               0.00034159375129
                   +1 :               0.00027482546121
                3d
                   -2 :              -0.00003274546540
                   -1 :              -0.00005998859235
                   +0 :              -0.00011192004868
                   +1 :              -0.00013290066648
                   +2 :              -0.00000817198478
              2 vec=    -2.802933     -4.129235     -8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00014054645993
                2s
                   +0 :              -0.00162067958830
                3s
                   +0 :              -0.00004437265427
                2p
                   -1 :               0.00314203150896
                   +0 :               0.00211010541166
                   +1 :              -0.00093460819688
                3p
                   -1 :              -0.00073283848664
                   +0 :               0.00053431192521
                   +1 :               0.00068386802209
                3d
                   -2 :              -0.00007035111574
                   -1 :              -0.00008873988490
                   +0 :              -0.00001702704301
                   +1 :              -0.00006647931225
                   +2 :               0.00012628751011
              3 vec=    -2.802933      4.854523     -8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00006192116361
                2s
                   +0 :               0.00087325734882
                3s
                   +0 :              -0.00021384352592
                2p
                   -1 :               0.00102521431479
                   +0 :              -0.00148436348998
                   +1 :               0.00105176553672
                3p
                   -1 :              -0.00075974642815
                   +0 :               0.00095152431527
                   +1 :              -0.00112174701020
                3d
                   -2 :               0.00000066129499
                   -1 :              -0.00000506188944
                   +0 :               0.00011632597012
                   +1 :               0.00000943153897
                   +2 :              -0.00006362376609
              4 vec=     4.977229     -8.621114     -8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00006714656983
                2s
                   +0 :               0.00060896646922
                3s
                   +0 :              -0.00018644177886
                2p
                   -1 :              -0.00025008139381
                   +0 :               0.00001872932819
                   +1 :               0.00073395844967
                3p
                   -1 :               0.00017365754189
                   +0 :               0.00012110877224
                   +1 :              -0.00054016073466
                3d
                   -2 :               0.00000036942361
                   -1 :              -0.00000845465458
                   +0 :              -0.00001491811700
                   +1 :               0.00004726740874
                   +2 :              -0.00001309164956
              5 vec=     4.977229      9.346402     -8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00002171567057
                2s
                   +0 :               0.00030676273750
                3s
                   +0 :              -0.00013700454676
                2p
                   -1 :              -0.00004590306033
                   +0 :              -0.00029865995384
                   +1 :               0.00015085426150
                3p
                   -1 :               0.00007253961560
                   +0 :               0.00003615703890
                   +1 :              -0.00012774554430
                3d
                   -2 :              -0.00000121547856
                   -1 :               0.00001594803108
                   +0 :               0.00000019486874
                   +1 :               0.00000792607482
                   +2 :               0.00004133354404
              6 vec=   -10.583096      0.362644     -8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00000898549955
                2s
                   +0 :              -0.00025695414814
                3s
                   +0 :              -0.00004699686731
                2p
                   -1 :               0.00006347926371
                   +0 :              -0.00024041859765
                   +1 :               0.00010227319021
                3p
                   -1 :              -0.00017096580288
                   +0 :               0.00029432353623
                   +1 :               0.00024201319799
                3d
                   -2 :               0.00003152470978
                   -1 :              -0.00002223437130
                   +0 :               0.00001122779206
                   +1 :               0.00001210882008
                   +2 :              -0.00000527739664
              7 vec=    12.757392     -4.129235     -8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00001299319535
                2s
                   +0 :               0.00015335838095
                3s
                   +0 :              -0.00001316298255
                2p
                   -1 :              -0.00006717575231
                   +0 :              -0.00019244711253
                   +1 :               0.00023429206767
                3p
                   -1 :               0.00001004533561
                   +0 :               0.00011019182835
                   +1 :              -0.00016643719058
                3d
                   -2 :               0.00000297704087
                   -1 :               0.00001124061925
                   +0 :              -0.00000105150090
                   +1 :               0.00000720962075
                   +2 :              -0.00000390953209
              8 vec=    -2.802933    -13.112993     -8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00001506419115
                2s
                   +0 :              -0.00011749306302
                3s
                   +0 :               0.00004678369892
                2p
                   -1 :               0.00012888272548
                   +0 :               0.00012038113395
                   +1 :              -0.00018620609830
                3p
                   -1 :              -0.00008327823166
                   +0 :              -0.00006666532669
                   +1 :               0.00012490443711
                3d
                   -2 :              -0.00000106664434
                   -1 :              -0.00000102080701
                   +0 :               0.00000879401022
                   +1 :              -0.00000913076593
                   +2 :               0.00000228464611
              9 vec=    12.757392      4.854523     -8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00004521320675
                2s
                   +0 :              -0.00026265691218
                3s
                   +0 :               0.00016395380509
                2p
                   -1 :              -0.00007274720575
                   +0 :               0.00013348853261
                   +1 :              -0.00007612408841
                3p
                   -1 :               0.00005557481084
                   +0 :              -0.00009945679151
                   +1 :               0.00009275578215
                3d
                   -2 :              -0.00000512039956
                   -1 :              -0.00000736412310
                   +0 :               0.00000621329447
                   +1 :              -0.00000345922062
                   +2 :               0.00000712892039
             10 vec=   -10.583096     -8.621114     -8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00002406292005
                2s
                   +0 :               0.00013304887045
                3s
                   +0 :              -0.00009363015318
                2p
                   -1 :              -0.00009427667064
                   +0 :              -0.00000909279975
                   +1 :               0.00008108103638
                3p
                   -1 :               0.00007268476391
                   +0 :               0.00001350065648
                   +1 :              -0.00004739176370
                3d
                   -2 :               0.00001467047058
                   -1 :              -0.00001265117807
                   +0 :              -0.00001020273085
                   +1 :               0.00000814240409
                   +2 :               0.00000495582181
             11 vec=    -2.802933     13.838281     -8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00002257802342
                2s
                   +0 :              -0.00014498970774
                3s
                   +0 :               0.00006584888031
                2p
                   -1 :              -0.00016270079331
                   +0 :               0.00000436372976
                   +1 :               0.00007158607064
                3p
                   -1 :               0.00012370001648
                   +0 :               0.00002171793963
                   +1 :              -0.00008389062523
                3d
                   -2 :              -0.00000793122817
                   -1 :              -0.00000521169763
                   +0 :              -0.00001549829071
                   +1 :               0.00000650160460
                   +2 :              -0.00000861385183
             12 vec=   -10.583096      9.346402     -8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00004963370312
                2s
                   +0 :               0.00025166587988
                3s
                   +0 :              -0.00016819628365
                2p
                   -1 :               0.00016072502967
                   +0 :              -0.00008565591596
                   +1 :               0.00014749335936
                3p
                   -1 :              -0.00019729282189
                   +0 :               0.00011711937398
                   +1 :              -0.00007264863537
                3d
                   -2 :               0.00000235571981
                   -1 :               0.00001418044294
                   +0 :              -0.00000619598683
                   +1 :               0.00000179909307
                   +2 :               0.00000173941458
             13 vec=     4.977229      0.362644     16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00001527153853
                2s
                   +0 :               0.00012909520387
                3s
                   +0 :              -0.00005619503743
                2p
                   -1 :               0.00000267665180
                   +0 :               0.00008473891900
                   +1 :              -0.00000532029248
                3p
                   -1 :              -0.00001828566511
                   +0 :              -0.00002954745768
                   +1 :               0.00000215116883
                3d
                   -2 :               0.00000291173200
                   -1 :               0.00000193194544
                   +0 :              -0.00000024857216
                   +1 :              -0.00000513789051
                   +2 :              -0.00000542341649
             14 vec=    -2.802933     -4.129235     16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00001075827413
                2s
                   +0 :               0.00010969678574
                3s
                   +0 :              -0.00001983036795
                2p
                   -1 :              -0.00003512821885
                   +0 :               0.00011870055879
                   +1 :              -0.00002411637166
                3p
                   -1 :               0.00002733395046
                   +0 :              -0.00003111769400
                   +1 :               0.00001171149969
                3d
                   -2 :              -0.00000103428159
                   -1 :               0.00000391117820
                   +0 :               0.00000139171000
                   +1 :               0.00000340726464
                   +2 :              -0.00000071749801
             15 vec=    -2.802933      4.854523     16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00000658833572
                2s
                   +0 :              -0.00008356846463
                3s
                   +0 :               0.00000384465585
                2p
                   -1 :              -0.00004893962905
                   +0 :               0.00001693153990
                   +1 :              -0.00011615820383
                3p
                   -1 :               0.00002791381206
                   +0 :              -0.00007567915881
                   +1 :               0.00003780247701
                3d
                   -2 :              -0.00000217760113
                   -1 :              -0.00000142688472
                   +0 :              -0.00000536778047
                   +1 :              -0.00000299005897
                   +2 :               0.00000416257192
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 14)  npairs=  14
              1 vec=     0.209546      0.362644     -8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00027170522092
                2s
                   +0 :              -0.00144576622723
                3s
                   +0 :               0.00067666821110
                2p
                   -1 :               0.00054014737319
                   +0 :               0.00098880362790
                   +1 :              -0.00138744929799
                3p
                   -1 :              -0.00062260589712
                   +0 :              -0.00001327847324
                   +1 :              -0.00035744932591
                3d
                   -2 :               0.00001661890318
                   -1 :               0.00002005595810
                   +0 :              -0.00024807461474
                   +1 :               0.00006964038270
                   +2 :               0.00010952761562
              2 vec=    -7.570617     -4.129235     -8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00000586949277
                2s
                   +0 :              -0.00056524397231
                3s
                   +0 :              -0.00010109472484
                2p
                   -1 :              -0.00047913744676
                   +0 :               0.00055361756695
                   +1 :               0.00018560846985
                3p
                   -1 :               0.00052136728472
                   +0 :               0.00010035495820
                   +1 :               0.00000616436095
                3d
                   -2 :              -0.00002000846685
                   -1 :              -0.00001483113845
                   +0 :              -0.00001024002640
                   +1 :               0.00000336370542
                   +2 :               0.00003069856376
              3 vec=     0.209546     -8.621114     -8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00000656673751
                2s
                   +0 :               0.00011567760140
                3s
                   +0 :              -0.00003370940027
                2p
                   -1 :              -0.00032656562816
                   +0 :              -0.00014015908821
                   +1 :              -0.00044876612475
                3p
                   -1 :               0.00024908829193
                   +0 :               0.00010506299568
                   +1 :               0.00013473471871
                3d
                   -2 :               0.00004960113206
                   -1 :               0.00000539713400
                   +0 :               0.00000388872078
                   +1 :               0.00001674437333
                   +2 :               0.00001859857584
              4 vec=    -7.570617      4.854523     -8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00022036372875
                2s
                   +0 :               0.00111974846523
                3s
                   +0 :              -0.00075960032010
                2p
                   -1 :              -0.00139633108840
                   +0 :              -0.00043712924267
                   +1 :              -0.00162095768543
                3p
                   -1 :               0.00094184268650
                   +0 :               0.00044773719358
                   +1 :               0.00142190012728
                3d
                   -2 :              -0.00003056803762
                   -1 :              -0.00004615910445
                   +0 :              -0.00005172931227
                   +1 :              -0.00011898869817
                   +2 :              -0.00007387771819
              5 vec=     7.989708     -4.129235     -8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00011870159673
                2s
                   +0 :               0.00119157115577
                3s
                   +0 :              -0.00036990265581
                2p
                   -1 :               0.00026291020297
                   +0 :              -0.00056901404481
                   +1 :               0.00099574226536
                3p
                   -1 :              -0.00044419019338
                   +0 :               0.00004146249155
                   +1 :              -0.00052193589564
                3d
                   -2 :               0.00000401550584
                   -1 :              -0.00000324728218
                   +0 :               0.00004012613481
                   +1 :               0.00003545386954
                   +2 :              -0.00008200625653
              6 vec=     0.209546      9.346402     -8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00003549306525
                2s
                   +0 :               0.00022127548391
                3s
                   +0 :              -0.00005909219874
                2p
                   -1 :               0.00035237565033
                   +0 :               0.00036455990308
                   +1 :              -0.00068399983908
                3p
                   -1 :              -0.00026303161169
                   +0 :              -0.00037674753731
                   +1 :               0.00034863511480
                3d
                   -2 :               0.00002780541547
                   -1 :              -0.00002788835767
                   +0 :              -0.00000801076625
                   +1 :               0.00002972375532
                   +2 :               0.00000364394896
              7 vec=     7.989708      4.854523     -8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00002194807456
                2s
                   +0 :               0.00000467033081
                3s
                   +0 :               0.00009163481743
                2p
                   -1 :               0.00053774822726
                   +0 :              -0.00069926078134
                   +1 :               0.00094613904866
                3p
                   -1 :              -0.00023622550494
                   +0 :               0.00049785970322
                   +1 :              -0.00073539343238
                3d
                   -2 :              -0.00000543962373
                   -1 :               0.00001359252262
                   +0 :              -0.00000138469742
                   +1 :               0.00003866646130
                   +2 :              -0.00003618769341
              8 vec=     0.209546      0.362644     16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000449853168
                2s
                   +0 :              -0.00002570867974
                3s
                   +0 :               0.00001433797692
                2p
                   -1 :               0.00000977278308
                   +0 :               0.00000734324463
                   +1 :               0.00001837549673
                3p
                   -1 :               0.00000530131789
                   +0 :              -0.00000711241458
                   +1 :              -0.00003655910963
                3d
                   -2 :               0.00000478525196
                   -1 :              -0.00000177796736
                   +0 :              -0.00000132906120
                   +1 :              -0.00000548785751
                   +2 :               0.00000012140949
              9 vec=    -7.570617    -13.112993     -8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00002565270605
                2s
                   +0 :              -0.00021253882255
                3s
                   +0 :               0.00007093550786
                2p
                   -1 :               0.00007464684425
                   +0 :               0.00005500401652
                   +1 :              -0.00000256660522
                3p
                   -1 :               0.00001275341186
                   +0 :              -0.00003254953246
                   +1 :               0.00001707134048
                3d
                   -2 :              -0.00000726547251
                   -1 :              -0.00000432841238
                   +0 :               0.00000199793114
                   +1 :               0.00000359964379
                   +2 :               0.00000639048392
             10 vec=   -15.350780      0.362644     -8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00002433822335
                2s
                   +0 :              -0.00018815748726
                3s
                   +0 :               0.00006231511499
                2p
                   -1 :               0.00012073909422
                   +0 :               0.00007403250372
                   +1 :               0.00020739045004
                3p
                   -1 :              -0.00012104659425
                   +0 :              -0.00003578486160
                   +1 :              -0.00010888000783
                3d
                   -2 :               0.00001265690750
                   -1 :               0.00001342248640
                   +0 :               0.00000005360187
                   +1 :              -0.00000425959822
                   +2 :              -0.00000294840772
             11 vec=     7.989708    -13.112993     -8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000429771277
                2s
                   +0 :               0.00008083270695
                3s
                   +0 :               0.00000224636829
                2p
                   -1 :              -0.00005139449993
                   +0 :              -0.00008524017857
                   +1 :               0.00003417021928
                3p
                   -1 :              -0.00002702129657
                   +0 :               0.00001166614195
                   +1 :              -0.00003034639204
                3d
                   -2 :              -0.00000641228980
                   -1 :               0.00000300649058
                   +0 :              -0.00000101049266
                   +1 :               0.00000124619054
                   +2 :              -0.00000761875860
             12 vec=    -7.570617     13.838281     -8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00000416821092
                2s
                   +0 :              -0.00000886946019
                3s
                   +0 :              -0.00000150146083
                2p
                   -1 :              -0.00000601717678
                   +0 :              -0.00010598379513
                   +1 :              -0.00002959351091
                3p
                   -1 :               0.00000091501738
                   +0 :               0.00008150732988
                   +1 :               0.00001489960510
                3d
                   -2 :               0.00000548784237
                   -1 :               0.00000262234836
                   +0 :              -0.00000540549844
                   +1 :              -0.00000163290040
                   +2 :              -0.00000309358292
             13 vec=    15.769871      0.362644     -8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00000654751369
                2s
                   +0 :               0.00004274638831
                3s
                   +0 :               0.00000909387069
                2p
                   -1 :               0.00007497425620
                   +0 :              -0.00008708338840
                   +1 :               0.00009572985305
                3p
                   -1 :              -0.00001639500636
                   +0 :              -0.00001387594108
                   +1 :              -0.00001169241975
                3d
                   -2 :              -0.00000005999792
                   -1 :              -0.00000121877007
                   +0 :               0.00000122342832
                   +1 :              -0.00000110787747
                   +2 :               0.00000034267235
             14 vec=     7.989708     13.838281     -8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000341940968
                2s
                   +0 :               0.00003721475079
                3s
                   +0 :              -0.00000935275532
                2p
                   -1 :               0.00003984381056
                   +0 :               0.00003162067299
                   +1 :               0.00001319342870
                3p
                   -1 :              -0.00001997454425
                   +0 :              -0.00002802823619
                   +1 :              -0.00000346896137
                3d
                   -2 :              -0.00000018923514
                   -1 :               0.00000356868359
                   +0 :               0.00000277037510
                   +1 :              -0.00000048871702
                   +2 :               0.00000119767885
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 15)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00018532342584
                2s
                   +0 :              -0.00136407074231
                3s
                   +0 :               0.00047471537525
                2p
                   -1 :              -0.00326702792568
                   +0 :               0.00088046464228
                   +1 :              -0.00148556355308
                3p
                   -1 :               0.00221621518345
                   +0 :               0.00028936953995
                   +1 :               0.00071099197607
                3d
                   -2 :               0.00004645421860
                   -1 :              -0.00010325544585
                   +0 :              -0.00009263118548
                   +1 :               0.00001117169557
                   +2 :              -0.00016102566515
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00004363043377
                2s
                   +0 :              -0.00082515663640
                3s
                   +0 :              -0.00031472355494
                2p
                   -1 :              -0.00129873046379
                   +0 :               0.00300326427261
                   +1 :               0.00185157665272
                3p
                   -1 :               0.00007043328997
                   +0 :              -0.00049313070058
                   +1 :              -0.00024124577145
                3d
                   -2 :               0.00001763276190
                   -1 :               0.00011076920914
                   +0 :               0.00000788540141
                   +1 :              -0.00011036981856
                   +2 :              -0.00001307385643
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00026564983279
                2s
                   +0 :               0.00232341605368
                3s
                   +0 :              -0.00047036110695
                2p
                   -1 :              -0.00357700429338
                   +0 :              -0.00317641501450
                   +1 :              -0.00251908461030
                3p
                   -1 :               0.00112010331006
                   +0 :               0.00091385580378
                   +1 :               0.00141574029443
                3d
                   -2 :               0.00007760007020
                   -1 :              -0.00000480904561
                   +0 :               0.00003345356853
                   +1 :              -0.00006806508088
                   +2 :               0.00001110708984
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00002608009079
                2s
                   +0 :              -0.00007048962788
                3s
                   +0 :              -0.00005260889286
                2p
                   -1 :               0.00020051439927
                   +0 :               0.00027897404000
                   +1 :               0.00040186041163
                3p
                   -1 :              -0.00014529103133
                   +0 :              -0.00010073320854
                   +1 :              -0.00028203301525
                3d
                   -2 :              -0.00002569204333
                   -1 :               0.00001223085808
                   +0 :               0.00005018536040
                   +1 :               0.00001959367717
                   +2 :               0.00000763872931
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001460937943
                2s
                   +0 :               0.00026404879227
                3s
                   +0 :              -0.00002452069403
                2p
                   -1 :              -0.00006160871146
                   +0 :               0.00030753457415
                   +1 :               0.00008950311604
                3p
                   -1 :               0.00008208169520
                   +0 :              -0.00024165108547
                   +1 :              -0.00009531343046
                3d
                   -2 :               0.00000047332119
                   -1 :              -0.00001375745062
                   +0 :               0.00002897712292
                   +1 :              -0.00000355345454
                   +2 :              -0.00002302716631
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00003402021847
                2s
                   +0 :              -0.00042058389134
                3s
                   +0 :               0.00000928998960
                2p
                   -1 :               0.00033571851480
                   +0 :              -0.00006993063756
                   +1 :               0.00025970724540
                3p
                   -1 :               0.00002122749909
                   +0 :               0.00008751458190
                   +1 :              -0.00020298766826
                3d
                   -2 :              -0.00002951946621
                   -1 :              -0.00001413075756
                   +0 :              -0.00002482366732
                   +1 :              -0.00001041801452
                   +2 :               0.00002036006762
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000467152271
                2s
                   +0 :               0.00000207778843
                3s
                   +0 :               0.00001614680206
                2p
                   -1 :               0.00000758439082
                   +0 :              -0.00003846560945
                   +1 :              -0.00002631666108
                3p
                   -1 :              -0.00000617097038
                   +0 :              -0.00002685256640
                   +1 :               0.00003369870683
                3d
                   -2 :               0.00000673470366
                   -1 :              -0.00000432494634
                   +0 :               0.00001169352710
                   +1 :              -0.00000845060604
                   +2 :               0.00001221791780
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000980048157
                2s
                   +0 :               0.00012142577323
                3s
                   +0 :              -0.00001180508589
                2p
                   -1 :              -0.00003822554451
                   +0 :              -0.00005031593422
                   +1 :              -0.00000850244073
                3p
                   -1 :               0.00009225731981
                   +0 :               0.00004006644433
                   +1 :               0.00004630625248
                3d
                   -2 :               0.00000066387934
                   -1 :               0.00000707895325
                   +0 :              -0.00000224943942
                   +1 :              -0.00000426591708
                   +2 :              -0.00000994320359
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00004762437302
                2s
                   +0 :              -0.00030871340908
                3s
                   +0 :               0.00014391624690
                2p
                   -1 :              -0.00013355041433
                   +0 :               0.00013024616249
                   +1 :               0.00014412403728
                3p
                   -1 :               0.00009599560087
                   +0 :              -0.00010194450979
                   +1 :              -0.00008876340857
                3d
                   -2 :               0.00000706659308
                   -1 :              -0.00000490154666
                   +0 :               0.00000125340986
                   +1 :               0.00000408194683
                   +2 :               0.00002284035870
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00002632443480
                2s
                   +0 :              -0.00015630301858
                3s
                   +0 :               0.00003765478028
                2p
                   -1 :               0.00036049949693
                   +0 :               0.00011187947857
                   +1 :               0.00013965352421
                3p
                   -1 :              -0.00022227952255
                   +0 :              -0.00001292201818
                   +1 :              -0.00007726572881
                3d
                   -2 :               0.00000834986904
                   -1 :               0.00000924481562
                   +0 :              -0.00000567574730
                   +1 :               0.00000195941346
                   +2 :              -0.00000085281273
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001830089819
                2s
                   +0 :               0.00014851182699
                3s
                   +0 :              -0.00003261649745
                2p
                   -1 :              -0.00024935109668
                   +0 :              -0.00019222727910
                   +1 :               0.00000536435605
                3p
                   -1 :               0.00018348499246
                   +0 :               0.00010745189700
                   +1 :               0.00004638996056
                3d
                   -2 :               0.00000204687325
                   -1 :              -0.00000034207874
                   +0 :               0.00000245957994
                   +1 :              -0.00000549019536
                   +2 :               0.00000897519505
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00001853868852
                2s
                   +0 :               0.00009795166012
                3s
                   +0 :              -0.00005994056045
                2p
                   -1 :               0.00003906064960
                   +0 :              -0.00015956809356
                   +1 :              -0.00013013161564
                3p
                   -1 :              -0.00006792186495
                   +0 :               0.00007427709083
                   +1 :               0.00010553056087
                3d
                   -2 :              -0.00000709660659
                   -1 :              -0.00000683034103
                   +0 :              -0.00000931937662
                   +1 :              -0.00001129454259
                   +2 :              -0.00000260698345
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001422203745
                2s
                   +0 :              -0.00008204684655
                3s
                   +0 :               0.00004804445396
                2p
                   -1 :               0.00005872831000
                   +0 :              -0.00003445023002
                   +1 :              -0.00007040683490
                3p
                   -1 :              -0.00004074831806
                   +0 :               0.00004844302630
                   +1 :               0.00003702324276
                3d
                   -2 :              -0.00000167566743
                   -1 :               0.00000072460528
                   +0 :              -0.00000237264043
                   +1 :              -0.00000196629173
                   +2 :              -0.00000283131084
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00000626381991
                2s
                   +0 :              -0.00004180686081
                3s
                   +0 :               0.00001840882931
                2p
                   -1 :               0.00007584266906
                   +0 :              -0.00001057190839
                   +1 :              -0.00004463338645
                3p
                   -1 :              -0.00003486366391
                   +0 :               0.00001636299884
                   +1 :               0.00001490246033
                3d
                   -2 :              -0.00000401137932
                   -1 :               0.00000275947009
                   +0 :               0.00000326029924
                   +1 :               0.00000273988340
                   +2 :              -0.00000158738703
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001008766246
                2s
                   +0 :              -0.00009482072313
                3s
                   +0 :               0.00003141524551
                2p
                   -1 :              -0.00006095424988
                   +0 :              -0.00002031446541
                   +1 :              -0.00005923963511
                3p
                   -1 :               0.00003458024135
                   +0 :              -0.00000632345506
                   +1 :               0.00002160570564
                3d
                   -2 :              -0.00000165023615
                   -1 :              -0.00000007461592
                   +0 :              -0.00000256928278
                   +1 :              -0.00000349784421
                   +2 :               0.00000072784216
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 16)  npairs=  14
              1 vec=     0.209546      3.115268      4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00159279637326
                2s
                   +0 :              -0.00621373498104
                3s
                   +0 :               0.00490212562652
                2p
                   -1 :              -0.00835928022130
                   +0 :               0.00065099854603
                   +1 :              -0.00432308283458
                3p
                   -1 :               0.00754719518016
                   +0 :               0.00157040945746
                   +1 :              -0.00370608595310
                3d
                   -2 :              -0.00087366833179
                   -1 :               0.00071645631797
                   +0 :               0.00047300903430
                   +1 :              -0.00166032911760
                   +2 :              -0.00024689228009
              2 vec=     0.209546     -5.868490      4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00053989279901
                2s
                   +0 :              -0.00409431960634
                3s
                   +0 :               0.00174419276125
                2p
                   -1 :               0.00217515876778
                   +0 :              -0.00104758930098
                   +1 :               0.00553768323893
                3p
                   -1 :              -0.00111552068703
                   +0 :               0.00081043971354
                   +1 :              -0.00566589697560
                3d
                   -2 :               0.00011254096589
                   -1 :               0.00000839371868
                   +0 :              -0.00000795243579
                   +1 :               0.00002870090705
                   +2 :              -0.00012543621526
              3 vec=    -7.570617     -1.376611      4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00008963783932
                2s
                   +0 :               0.00118160323549
                3s
                   +0 :              -0.00059830294827
                2p
                   -1 :              -0.00054884539601
                   +0 :               0.00010874691664
                   +1 :               0.00216822509598
                3p
                   -1 :               0.00065476732127
                   +0 :              -0.00017477457601
                   +1 :              -0.00120310377900
                3d
                   -2 :              -0.00003776142598
                   -1 :              -0.00002468724537
                   +0 :              -0.00000508997806
                   +1 :               0.00003563550059
                   +2 :               0.00013519840133
              4 vec=     7.989708     -1.376611      4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00023101345158
                2s
                   +0 :               0.00109309412631
                3s
                   +0 :              -0.00041582394964
                2p
                   -1 :              -0.00147310350617
                   +0 :               0.00361622803155
                   +1 :              -0.00047598512268
                3p
                   -1 :               0.00062591076329
                   +0 :              -0.00216267395592
                   +1 :               0.00061403799690
                3d
                   -2 :               0.00003451374957
                   -1 :               0.00007047554267
                   +0 :               0.00001404468169
                   +1 :              -0.00002505690473
                   +2 :              -0.00001903851311
              5 vec=    -7.570617      7.607147      4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00000591702403
                2s
                   +0 :              -0.00037168420856
                3s
                   +0 :               0.00005746486853
                2p
                   -1 :              -0.00063094426445
                   +0 :               0.00002478600482
                   +1 :               0.00052839405659
                3p
                   -1 :               0.00026169235919
                   +0 :              -0.00017379584506
                   +1 :              -0.00046103952086
                3d
                   -2 :              -0.00002004366815
                   -1 :              -0.00010896303988
                   +0 :              -0.00005941185876
                   +1 :               0.00000413367928
                   +2 :               0.00005135181785
              6 vec=     7.989708      7.607147      4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00001246966244
                2s
                   +0 :               0.00029251967277
                3s
                   +0 :              -0.00005841789446
                2p
                   -1 :              -0.00065597702805
                   +0 :               0.00101649359518
                   +1 :               0.00011287410880
                3p
                   -1 :               0.00064691152940
                   +0 :              -0.00075783727655
                   +1 :              -0.00018355848517
                3d
                   -2 :               0.00005627343823
                   -1 :              -0.00004531321381
                   +0 :               0.00010096167067
                   +1 :              -0.00004615242055
                   +2 :              -0.00003486400988
              7 vec=     0.209546     12.099026      4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00000666892785
                2s
                   +0 :               0.00000151813494
                3s
                   +0 :              -0.00005809042050
                2p
                   -1 :              -0.00008613196225
                   +0 :              -0.00055452321169
                   +1 :               0.00031871597695
                3p
                   -1 :               0.00002789289686
                   +0 :               0.00039105081184
                   +1 :              -0.00016754125043
                3d
                   -2 :               0.00001203920772
                   -1 :               0.00000797235051
                   +0 :               0.00001224582283
                   +1 :               0.00001862290674
                   +2 :               0.00003732483514
              8 vec=    -7.570617    -10.360369      4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00006750067969
                2s
                   +0 :              -0.00077946156414
                3s
                   +0 :               0.00010479914945
                2p
                   -1 :               0.00022934258137
                   +0 :              -0.00043121483758
                   +1 :               0.00018516216022
                3p
                   -1 :              -0.00007132563561
                   +0 :               0.00010919548783
                   +1 :              -0.00002761643446
                3d
                   -2 :              -0.00003801750689
                   -1 :               0.00000184017041
                   +0 :              -0.00003616812207
                   +1 :              -0.00001896214692
                   +2 :              -0.00000818862160
              9 vec=     7.989708    -10.360369      4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00003380297928
                2s
                   +0 :               0.00007573401653
                3s
                   +0 :               0.00016276639630
                2p
                   -1 :               0.00026211326898
                   +0 :               0.00004497253480
                   +1 :              -0.00017304622047
                3p
                   -1 :              -0.00032561637271
                   +0 :               0.00012677528066
                   +1 :               0.00024614847025
                3d
                   -2 :              -0.00002580527370
                   -1 :              -0.00000085726984
                   +0 :               0.00001208710072
                   +1 :               0.00000961826000
                   +2 :              -0.00000903884738
             10 vec=     0.209546    -14.852248      4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00000312090870
                2s
                   +0 :               0.00001006892146
                3s
                   +0 :               0.00000538842566
                2p
                   -1 :              -0.00011404326991
                   +0 :               0.00004141888502
                   +1 :              -0.00004098513384
                3p
                   -1 :               0.00008377410906
                   +0 :              -0.00004656138972
                   +1 :              -0.00001405296975
                3d
                   -2 :               0.00000142888749
                   -1 :               0.00000197872220
                   +0 :               0.00000807174915
                   +1 :               0.00000887274431
                   +2 :               0.00000958830543
             11 vec=   -15.350780      3.115268      4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000638050800
                2s
                   +0 :              -0.00004852114139
                3s
                   +0 :              -0.00002012545069
                2p
                   -1 :              -0.00003293411927
                   +0 :              -0.00007976723893
                   +1 :               0.00010428024538
                3p
                   -1 :              -0.00001081039950
                   +0 :               0.00002001265917
                   +1 :               0.00000826218416
                3d
                   -2 :              -0.00000244167544
                   -1 :              -0.00000411109690
                   +0 :               0.00001483213973
                   +1 :              -0.00000833418710
                   +2 :               0.00000044114839
             12 vec=    15.769871      3.115268      4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00004227719534
                2s
                   +0 :               0.00028783524091
                3s
                   +0 :              -0.00008888559697
                2p
                   -1 :               0.00007969293167
                   +0 :              -0.00015518825941
                   +1 :               0.00016104046090
                3p
                   -1 :              -0.00003178005400
                   +0 :               0.00021162788583
                   +1 :              -0.00001007452463
                3d
                   -2 :               0.00000685505840
                   -1 :               0.00001198264557
                   +0 :              -0.00000577877952
                   +1 :               0.00001186634661
                   +2 :              -0.00000232000142
             13 vec=   -15.350780     -5.868490      4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00002734647834
                2s
                   +0 :              -0.00018737468130
                3s
                   +0 :               0.00006601321090
                2p
                   -1 :              -0.00002376235412
                   +0 :              -0.00004659971861
                   +1 :               0.00015102452369
                3p
                   -1 :               0.00004500286835
                   +0 :               0.00001178642966
                   +1 :              -0.00008422110242
                3d
                   -2 :              -0.00000859680257
                   -1 :               0.00000091135850
                   +0 :              -0.00000832611545
                   +1 :              -0.00000310128338
                   +2 :              -0.00000330768623
             14 vec=    15.769871     -5.868490      4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00002321997880
                2s
                   +0 :               0.00015631808249
                3s
                   +0 :              -0.00005454225811
                2p
                   -1 :               0.00008998680478
                   +0 :              -0.00000387655482
                   +1 :              -0.00000461451309
                3p
                   -1 :              -0.00008745086323
                   +0 :               0.00003239292794
                   +1 :               0.00006740455780
                3d
                   -2 :               0.00000147166542
                   -1 :              -0.00000082302310
                   +0 :               0.00000430102714
                   +1 :               0.00000122458862
                   +2 :               0.00001137464757
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 17)  npairs=  14
              1 vec=    -2.802933     -1.376611      4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00275271333870
                2s
                   +0 :              -0.04488494065771
                3s
                   +0 :               0.00501208944587
                2p
                   -1 :               0.00860174268204
                   +0 :              -0.02037829930863
                   +1 :               0.00893302703402
                3p
                   -1 :               0.00033781942180
                   +0 :              -0.00183188386648
                   +1 :               0.00116984204039
                3d
                   -2 :              -0.00060089069581
                   -1 :               0.00205572939959
                   +0 :              -0.00163449166023
                   +1 :               0.00098456406785
                   +2 :               0.00010885859020
              2 vec=     4.977229      3.115268      4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00114950481383
                2s
                   +0 :               0.00919820681516
                3s
                   +0 :              -0.00495596531517
                2p
                   -1 :               0.00473294259244
                   +0 :               0.01089583034742
                   +1 :               0.01002920264834
                3p
                   -1 :              -0.00393022447004
                   +0 :              -0.00751984988017
                   +1 :              -0.00758417576680
                3d
                   -2 :              -0.00035829240765
                   -1 :              -0.00050785861853
                   +0 :              -0.00046168023680
                   +1 :              -0.00106326774466
                   +2 :              -0.00020259786070
              3 vec=     4.977229     -5.868490      4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00007194694224
                2s
                   +0 :              -0.00052141286367
                3s
                   +0 :               0.00042045204806
                2p
                   -1 :              -0.00209227993736
                   +0 :               0.00182865016385
                   +1 :               0.00015413329673
                3p
                   -1 :               0.00173340530069
                   +0 :              -0.00055708729373
                   +1 :               0.00036663164865
                3d
                   -2 :               0.00019774020137
                   -1 :               0.00009393157955
                   +0 :               0.00003544585915
                   +1 :              -0.00005438464138
                   +2 :               0.00006505221768
              4 vec=    -2.802933      7.607147      4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00034610249712
                2s
                   +0 :              -0.00203075104339
                3s
                   +0 :               0.00084940678727
                2p
                   -1 :               0.00069184544144
                   +0 :              -0.00169943841462
                   +1 :              -0.00061874434928
                3p
                   -1 :              -0.00060636242591
                   +0 :               0.00019184711733
                   +1 :               0.00012345767499
                3d
                   -2 :               0.00008641159754
                   -1 :              -0.00026384365915
                   +0 :               0.00001503612138
                   +1 :               0.00002987911002
                   +2 :               0.00013569327255
              5 vec=    -2.802933    -10.360369      4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00005073449568
                2s
                   +0 :              -0.00035136298413
                3s
                   +0 :              -0.00006024676838
                2p
                   -1 :               0.00034392761780
                   +0 :               0.00039790007129
                   +1 :              -0.00061574314259
                3p
                   -1 :               0.00021903740876
                   +0 :              -0.00053466849201
                   +1 :               0.00050669263602
                3d
                   -2 :              -0.00003635075606
                   -1 :               0.00006777389117
                   +0 :               0.00007754055568
                   +1 :              -0.00002571747135
                   +2 :               0.00004982472114
              6 vec=   -10.583096      3.115268      4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00002110776803
                2s
                   +0 :              -0.00029355657937
                3s
                   +0 :              -0.00003949634276
                2p
                   -1 :              -0.00023966022030
                   +0 :              -0.00060118768251
                   +1 :               0.00078177685395
                3p
                   -1 :               0.00008061854079
                   +0 :               0.00046850090965
                   +1 :              -0.00051753192344
                3d
                   -2 :               0.00001133729439
                   -1 :              -0.00001562277328
                   +0 :               0.00007437347818
                   +1 :              -0.00003094341662
                   +2 :              -0.00003396339306
              7 vec=   -10.583096     -5.868490      4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00003468755445
                2s
                   +0 :              -0.00047927311367
                3s
                   +0 :               0.00007410170489
                2p
                   -1 :              -0.00012697477454
                   +0 :               0.00015808507217
                   +1 :              -0.00027713494950
                3p
                   -1 :               0.00017574403734
                   +0 :              -0.00020218126966
                   +1 :               0.00028838297797
                3d
                   -2 :              -0.00001713270675
                   -1 :               0.00000140390641
                   +0 :              -0.00000299205353
                   +1 :               0.00001230397020
                   +2 :              -0.00000343598647
              8 vec=    12.757392     -1.376611      4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00001526420100
                2s
                   +0 :               0.00044739458692
                3s
                   +0 :               0.00009723257402
                2p
                   -1 :               0.00021095170499
                   +0 :               0.00008189161316
                   +1 :              -0.00017491686474
                3p
                   -1 :              -0.00032318989028
                   +0 :               0.00025324080451
                   +1 :               0.00024425932491
                3d
                   -2 :              -0.00004354597476
                   -1 :              -0.00002948199393
                   +0 :               0.00004047552601
                   +1 :               0.00002483804805
                   +2 :               0.00000527293686
              9 vec=     4.977229     12.099026      4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00014184500924
                2s
                   +0 :              -0.00075077220853
                3s
                   +0 :               0.00044256790396
                2p
                   -1 :               0.00020355707730
                   +0 :              -0.00018404043214
                   +1 :              -0.00000908898323
                3p
                   -1 :              -0.00023158864022
                   +0 :               0.00014097385068
                   +1 :              -0.00006048016800
                3d
                   -2 :               0.00000871017737
                   -1 :              -0.00001524787836
                   +0 :               0.00000936985715
                   +1 :               0.00000049185704
                   +2 :               0.00002546006237
             10 vec=    12.757392      7.607147      4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00000624425909
                2s
                   +0 :              -0.00001663540724
                3s
                   +0 :               0.00009884313489
                2p
                   -1 :               0.00010071802534
                   +0 :               0.00014349002957
                   +1 :              -0.00012758418752
                3p
                   -1 :              -0.00002367243331
                   +0 :              -0.00007372711434
                   +1 :               0.00016217878834
                3d
                   -2 :              -0.00000003593599
                   -1 :              -0.00000770508715
                   +0 :               0.00001290676941
                   +1 :              -0.00000547389846
                   +2 :               0.00001461365707
             11 vec=     4.977229    -14.852248      4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00003069579564
                2s
                   +0 :               0.00018773405652
                3s
                   +0 :              -0.00008560110269
                2p
                   -1 :              -0.00031887271026
                   +0 :              -0.00016461700742
                   +1 :              -0.00000817254783
                3p
                   -1 :               0.00021952293356
                   +0 :               0.00014064555962
                   +1 :              -0.00002520303376
                3d
                   -2 :               0.00000702113842
                   -1 :              -0.00000717767769
                   +0 :               0.00000478741787
                   +1 :               0.00000530376309
                   +2 :               0.00001600006267
             12 vec=   -10.583096     12.099026      4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00001277397280
                2s
                   +0 :              -0.00012550340820
                3s
                   +0 :               0.00004611315790
                2p
                   -1 :               0.00000640977464
                   +0 :               0.00000916004603
                   +1 :              -0.00006420389600
                3p
                   -1 :              -0.00006824016136
                   +0 :              -0.00002827630676
                   +1 :               0.00007942985614
                3d
                   -2 :               0.00000684017054
                   -1 :               0.00000469916542
                   +0 :               0.00000671240649
                   +1 :              -0.00000965503199
                   +2 :               0.00001166843114
             13 vec=    12.757392    -10.360369      4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00001314407696
                2s
                   +0 :               0.00007855699428
                3s
                   +0 :              -0.00001253823250
                2p
                   -1 :              -0.00000111284949
                   +0 :              -0.00002340863769
                   +1 :              -0.00002629037589
                3p
                   -1 :              -0.00003635687107
                   +0 :               0.00003716691817
                   +1 :               0.00006113433553
                3d
                   -2 :              -0.00001167721410
                   -1 :              -0.00000248688812
                   +0 :               0.00000237580282
                   +1 :              -0.00000204362917
                   +2 :              -0.00000729249870
             14 vec=    -2.802933     16.590905      4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00000988149950
                2s
                   +0 :               0.00006239381444
                3s
                   +0 :              -0.00003150696560
                2p
                   -1 :               0.00003781320017
                   +0 :               0.00001338206485
                   +1 :               0.00000822924510
                3p
                   -1 :              -0.00004792652574
                   +0 :               0.00002304042885
                   +1 :               0.00000323573860
                3d
                   -2 :              -0.00000296739904
                   -1 :               0.00000169603428
                   +0 :               0.00000507143677
                   +1 :               0.00000202295891
                   +2 :              -0.00000044103882
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 18)  npairs=  14
              1 vec=     2.593388     -1.013667      4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00177840002694
                2s
                   +0 :               0.04934080270855
                3s
                   +0 :              -0.00376967363711
                2p
                   -1 :              -0.00628530853532
                   +0 :               0.03258232674730
                   +1 :               0.00866089024935
                3p
                   -1 :              -0.00237455945920
                   +0 :              -0.00407774080974
                   +1 :              -0.00356918087992
                3d
                   -2 :              -0.00081710079677
                   -1 :              -0.00124254617711
                   +0 :               0.00181479781812
                   +1 :              -0.00005529443330
                   +2 :              -0.00010336453286
              2 vec=    -5.186775      3.478212      4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00010436784174
                2s
                   +0 :              -0.00103090057735
                3s
                   +0 :               0.00050100878826
                2p
                   -1 :              -0.00024775284335
                   +0 :               0.00249112518545
                   +1 :               0.00468424543713
                3p
                   -1 :              -0.00110718970632
                   +0 :              -0.00350543501007
                   +1 :              -0.00295311450860
                3d
                   -2 :              -0.00028205548149
                   -1 :               0.00023741808685
                   +0 :              -0.00035195661133
                   +1 :              -0.00021546724977
                   +2 :               0.00010506748028
              3 vec=    -5.186775     -5.505546      4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00003144478747
                2s
                   +0 :               0.00049154552644
                3s
                   +0 :              -0.00052738436333
                2p
                   -1 :               0.00103690035584
                   +0 :               0.00439037675960
                   +1 :               0.00018009461470
                3p
                   -1 :              -0.00014651289419
                   +0 :              -0.00319056976785
                   +1 :               0.00021243530262
                3d
                   -2 :              -0.00002007484902
                   -1 :               0.00015534513493
                   +0 :              -0.00006512839408
                   +1 :               0.00010714784251
                   +2 :              -0.00002620794183
              4 vec=     2.593388      7.970091      4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00046016751214
                2s
                   +0 :               0.00269421875825
                3s
                   +0 :              -0.00121996585455
                2p
                   -1 :               0.00229107822498
                   +0 :               0.00079782653922
                   +1 :              -0.00118906359815
                3p
                   -1 :              -0.00195028587276
                   +0 :               0.00047435673657
                   +1 :               0.00091902971213
                3d
                   -2 :              -0.00002806576485
                   -1 :               0.00001039749161
                   +0 :               0.00015936191751
                   +1 :              -0.00004853956073
                   +2 :               0.00020576560654
              5 vec=     2.593388     -9.997425      4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00014054842347
                2s
                   +0 :              -0.00072836057482
                3s
                   +0 :               0.00051415275741
                2p
                   -1 :               0.00108138983213
                   +0 :               0.00022373578563
                   +1 :              -0.00049334666095
                3p
                   -1 :              -0.00122608146206
                   +0 :               0.00005997081822
                   +1 :               0.00025134213375
                3d
                   -2 :              -0.00002901736985
                   -1 :               0.00001188270772
                   +0 :              -0.00010115583725
                   +1 :              -0.00001840544156
                   +2 :              -0.00009990417253
              6 vec=    10.373550      3.478212      4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00008458599565
                2s
                   +0 :              -0.00020284407239
                3s
                   +0 :               0.00020350160121
                2p
                   -1 :              -0.00071300293097
                   +0 :              -0.00032052040801
                   +1 :              -0.00002966073962
                3p
                   -1 :               0.00085422165463
                   +0 :               0.00029595662627
                   +1 :               0.00020377879280
                3d
                   -2 :               0.00005829446697
                   -1 :              -0.00006067995392
                   +0 :              -0.00009930430292
                   +1 :               0.00000949679738
                   +2 :               0.00008272099976
              7 vec=    10.373550     -5.505546      4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00002169325884
                2s
                   +0 :               0.00052058556898
                3s
                   +0 :              -0.00005268163968
                2p
                   -1 :              -0.00069986652972
                   +0 :               0.00039854480589
                   +1 :               0.00063915126895
                3p
                   -1 :               0.00059847323526
                   +0 :              -0.00047635167767
                   +1 :              -0.00044378788369
                3d
                   -2 :               0.00001762269372
                   -1 :               0.00003854047399
                   +0 :              -0.00001634315405
                   +1 :              -0.00007529948629
                   +2 :               0.00001667120339
              8 vec=   -12.966938     -1.013667      4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00001355899096
                2s
                   +0 :              -0.00042123320198
                3s
                   +0 :              -0.00017595251293
                2p
                   -1 :              -0.00005758875438
                   +0 :              -0.00052837751023
                   +1 :               0.00000262038925
                3p
                   -1 :               0.00020184821046
                   +0 :              -0.00001406321252
                   +1 :               0.00025688539414
                3d
                   -2 :              -0.00000795410253
                   -1 :               0.00002114687437
                   +0 :              -0.00000211737071
                   +1 :               0.00001989536313
                   +2 :              -0.00002044085775
              9 vec=    -5.186775     12.461970      4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00002077180815
                2s
                   +0 :              -0.00020922082533
                3s
                   +0 :               0.00005848730901
                2p
                   -1 :              -0.00032076196701
                   +0 :              -0.00016372212932
                   +1 :              -0.00013506272066
                3p
                   -1 :               0.00027679776776
                   +0 :               0.00005851521273
                   +1 :               0.00003383005825
                3d
                   -2 :              -0.00002205133476
                   -1 :               0.00001228899305
                   +0 :              -0.00001039929280
                   +1 :               0.00000253024287
                   +2 :              -0.00002385949246
             10 vec=   -12.966938      7.970091      4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000248936854
                2s
                   +0 :              -0.00001287519842
                3s
                   +0 :              -0.00002350961734
                2p
                   -1 :               0.00004414752510
                   +0 :              -0.00002423768380
                   +1 :               0.00009007152542
                3p
                   -1 :              -0.00007460581399
                   +0 :              -0.00003540698737
                   +1 :              -0.00006586078430
                3d
                   -2 :               0.00000907289592
                   -1 :              -0.00000146809267
                   +0 :              -0.00000305477731
                   +1 :              -0.00000687353789
                   +2 :               0.00000317122440
             11 vec=    -5.186775    -14.489304      4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00002675914149
                2s
                   +0 :              -0.00022193331504
                3s
                   +0 :               0.00009355053360
                2p
                   -1 :               0.00030484038656
                   +0 :               0.00006245261288
                   +1 :              -0.00001013949022
                3p
                   -1 :              -0.00018396999807
                   +0 :              -0.00004491408543
                   +1 :               0.00001572766341
                3d
                   -2 :              -0.00000536386310
                   -1 :               0.00000987131794
                   +0 :               0.00000722890174
                   +1 :               0.00000383993998
                   +2 :              -0.00001244352888
             12 vec=    10.373550     12.461970      4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00000125467628
                2s
                   +0 :               0.00000773175659
                3s
                   +0 :               0.00000569144486
                2p
                   -1 :               0.00033959148653
                   +0 :               0.00006148374070
                   +1 :              -0.00004288366404
                3p
                   -1 :              -0.00028900004443
                   +0 :              -0.00002765916150
                   +1 :               0.00003496910581
                3d
                   -2 :              -0.00001430748196
                   -1 :              -0.00000767281796
                   +0 :               0.00000795463195
                   +1 :              -0.00000162262674
                   +2 :               0.00001118914126
             13 vec=   -12.966938     -9.997425      4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00002317878894
                2s
                   +0 :              -0.00016381096997
                3s
                   +0 :               0.00007198279422
                2p
                   -1 :               0.00022789669633
                   +0 :              -0.00004655321942
                   +1 :               0.00004720787564
                3p
                   -1 :              -0.00016516036321
                   +0 :               0.00001130289629
                   +1 :              -0.00000515059117
                3d
                   -2 :               0.00000200517827
                   -1 :               0.00000210015468
                   +0 :              -0.00000141587083
                   +1 :               0.00000045297525
                   +2 :              -0.00000926816134
             14 vec=     2.593388     16.953849      4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000606851321
                2s
                   +0 :              -0.00005471887118
                3s
                   +0 :               0.00002094926237
                2p
                   -1 :              -0.00010895040130
                   +0 :              -0.00003527439162
                   +1 :               0.00004895596949
                3p
                   -1 :               0.00009345646038
                   +0 :               0.00002099494738
                   +1 :              -0.00005324033525
                3d
                   -2 :              -0.00000577395225
                   -1 :               0.00000027190308
                   +0 :              -0.00000481574125
                   +1 :               0.00000109235535
                   +2 :              -0.00000960118690
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 19)  npairs=  12
              1 vec=     2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00337081006321
                2s
                   +0 :               0.05970957244065
                3s
                   +0 :              -0.00766456061623
                2p
                   -1 :              -0.02958621522521
                   +0 :              -0.00057558357877
                   +1 :               0.00980128276749
                3p
                   -1 :               0.00142688544557
                   +0 :               0.00187000065546
                   +1 :              -0.00257428514184
                3d
                   -2 :              -0.00076907907758
                   -1 :               0.00016667220990
                   +0 :              -0.00182550844684
                   +1 :               0.00042088943865
                   +2 :              -0.00237719690386
              2 vec=    -5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00197702959123
                2s
                   +0 :              -0.05499578838907
                3s
                   +0 :               0.00081713120417
                2p
                   -1 :              -0.00294950367246
                   +0 :              -0.00269282873902
                   +1 :               0.03926536533079
                3p
                   -1 :               0.00271540965312
                   +0 :               0.00325437625353
                   +1 :               0.00246820919788
                3d
                   -2 :               0.00004461119958
                   -1 :              -0.00115560962984
                   +0 :               0.00166094927766
                   +1 :              -0.00059206199172
                   +2 :              -0.00312928634763
              3 vec=     2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00077508868264
                2s
                   +0 :               0.01718037823874
                3s
                   +0 :               0.00562935779805
                2p
                   -1 :               0.01210942167905
                   +0 :              -0.00565077082465
                   +1 :               0.00067978691643
                3p
                   -1 :               0.00896923991923
                   +0 :               0.00588220413246
                   +1 :               0.00259355692265
                3d
                   -2 :               0.00142470548642
                   -1 :               0.00042295711614
                   +0 :              -0.00113159638308
                   +1 :               0.00038566968584
                   +2 :              -0.00193974527754
              4 vec=    -5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00023105811809
                2s
                   +0 :              -0.00303954302461
                3s
                   +0 :               0.00019596933798
                2p
                   -1 :               0.00345761171173
                   +0 :               0.00042032212918
                   +1 :               0.00272609672557
                3p
                   -1 :              -0.00062005368034
                   +0 :              -0.00020587858632
                   +1 :              -0.00062394209015
                3d
                   -2 :              -0.00012885046573
                   -1 :              -0.00003861727124
                   +0 :              -0.00000401325156
                   +1 :               0.00001014468236
                   +2 :               0.00005311755508
              5 vec=    10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00097170889011
                2s
                   +0 :               0.00854037299686
                3s
                   +0 :              -0.00206181836122
                2p
                   -1 :              -0.00258567830373
                   +0 :               0.00019852089407
                   +1 :               0.00852040517232
                3p
                   -1 :               0.00203046105466
                   +0 :              -0.00003291014714
                   +1 :              -0.00145232934426
                3d
                   -2 :               0.00017369813351
                   -1 :               0.00011225823106
                   +0 :              -0.00033301489631
                   +1 :               0.00016105205489
                   +2 :               0.00038354126602
              6 vec=    -5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00068391153173
                2s
                   +0 :              -0.00507314374007
                3s
                   +0 :               0.00190117225019
                2p
                   -1 :              -0.00436480051602
                   +0 :               0.00126094466533
                   +1 :               0.00147193205033
                3p
                   -1 :               0.00187471985171
                   +0 :              -0.00120046111999
                   +1 :              -0.00053893328296
                3d
                   -2 :              -0.00003436299447
                   -1 :              -0.00004453506425
                   +0 :              -0.00000758031676
                   +1 :               0.00006269832220
                   +2 :              -0.00002565341571
              7 vec=     2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00002700220521
                2s
                   +0 :              -0.00033054687527
                3s
                   +0 :               0.00005662893970
                2p
                   -1 :               0.00030557682147
                   +0 :               0.00004993171836
                   +1 :              -0.00016718997232
                3p
                   -1 :              -0.00001287465806
                   +0 :              -0.00004295767128
                   +1 :              -0.00009682642026
                3d
                   -2 :               0.00002395708637
                   -1 :              -0.00000219796361
                   +0 :              -0.00000259825097
                   +1 :               0.00000420849097
                   +2 :               0.00004007443249
              8 vec=    10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00001062480510
                2s
                   +0 :               0.00034476474786
                3s
                   +0 :               0.00013065490570
                2p
                   -1 :               0.00008312791404
                   +0 :               0.00008385569054
                   +1 :               0.00012235499668
                3p
                   -1 :              -0.00004945785167
                   +0 :              -0.00006824547033
                   +1 :               0.00016055384259
                3d
                   -2 :               0.00001522219001
                   -1 :               0.00000042716928
                   +0 :              -0.00000078685516
                   +1 :              -0.00000044585298
                   +2 :               0.00001838111267
              9 vec=   -13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00000008686144
                2s
                   +0 :              -0.00033720489445
                3s
                   +0 :              -0.00008135706965
                2p
                   -1 :               0.00010820432903
                   +0 :               0.00013335167358
                   +1 :               0.00022349633345
                3p
                   -1 :               0.00022943548054
                   +0 :              -0.00010857084369
                   +1 :              -0.00000186787520
                3d
                   -2 :              -0.00004074414610
                   -1 :              -0.00000854121724
                   +0 :               0.00003687141849
                   +1 :              -0.00000404246811
                   +2 :               0.00004591186124
             10 vec=    10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005206377704
                2s
                   +0 :               0.00073267272310
                3s
                   +0 :              -0.00013389848828
                2p
                   -1 :               0.00000202596720
                   +0 :               0.00000471728512
                   +1 :               0.00056181075901
                3p
                   -1 :               0.00021819773105
                   +0 :               0.00000762466717
                   +1 :              -0.00022481492984
                3d
                   -2 :               0.00002483130062
                   -1 :              -0.00000111735962
                   +0 :              -0.00002474905498
                   +1 :               0.00001544964913
                   +2 :              -0.00003017956939
             11 vec=   -13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00008844363236
                2s
                   +0 :              -0.00094493978665
                3s
                   +0 :               0.00019647711741
                2p
                   -1 :              -0.00077393761703
                   +0 :              -0.00022781867582
                   +1 :               0.00029693137928
                3p
                   -1 :               0.00030683636913
                   +0 :               0.00019388999231
                   +1 :              -0.00016856293457
                3d
                   -2 :              -0.00002174016518
                   -1 :              -0.00000465264228
                   +0 :              -0.00001711723963
                   +1 :              -0.00000670879141
                   +2 :               0.00002411202711
             12 vec=     2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00005089468413
                2s
                   +0 :              -0.00041109258363
                3s
                   +0 :               0.00011787388461
                2p
                   -1 :              -0.00036304146515
                   +0 :               0.00011146690844
                   +1 :              -0.00004768774708
                3p
                   -1 :               0.00007391589089
                   +0 :              -0.00011029197420
                   +1 :              -0.00009437654502
                3d
                   -2 :              -0.00002046808707
                   -1 :              -0.00000956806746
                   +0 :               0.00000000524569
                   +1 :              -0.00000503457330
                   +2 :               0.00001814080249
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 20)  npairs=  12
              1 vec=    -2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00336832506568
                2s
                   +0 :              -0.05968386986624
                3s
                   +0 :               0.00765890625556
                2p
                   -1 :               0.02956827238453
                   +0 :              -0.00059830695269
                   +1 :               0.00978608687863
                3p
                   -1 :              -0.00141157288910
                   +0 :               0.00189112723892
                   +1 :              -0.00256297979433
                3d
                   -2 :              -0.00077021092550
                   -1 :               0.00016090119897
                   +0 :               0.00182544604602
                   +1 :              -0.00042177760043
                   +2 :               0.00237795525022
              2 vec=    -2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00077588177298
                2s
                   +0 :              -0.01718581147607
                3s
                   +0 :              -0.00563296021731
                2p
                   -1 :              -0.01210550588500
                   +0 :              -0.00567071949754
                   +1 :               0.00066959764982
                3p
                   -1 :              -0.00898423876896
                   +0 :               0.00589226259672
                   +1 :               0.00259843034623
                3d
                   -2 :               0.00142371122497
                   -1 :               0.00042502109084
                   +0 :               0.00113333157564
                   +1 :              -0.00038565470636
                   +2 :               0.00193962799733
              3 vec=     5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00198124851378
                2s
                   +0 :               0.05500402738562
                3s
                   +0 :              -0.00083210412144
                2p
                   -1 :               0.00293248789324
                   +0 :              -0.00268499145016
                   +1 :               0.03925376449596
                3p
                   -1 :              -0.00269405745835
                   +0 :               0.00324869174501
                   +1 :               0.00247161837026
                3d
                   -2 :               0.00004557034447
                   -1 :              -0.00115564211692
                   +0 :              -0.00165946073582
                   +1 :               0.00058915545381
                   +2 :               0.00312841140794
              4 vec=   -10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00097131386843
                2s
                   +0 :              -0.00854305674056
                3s
                   +0 :               0.00205462323118
                2p
                   -1 :               0.00256268309359
                   +0 :               0.00019123745115
                   +1 :               0.00851253855479
                3p
                   -1 :              -0.00201760005051
                   +0 :              -0.00002013205127
                   +1 :              -0.00143535046037
                3d
                   -2 :               0.00017334282259
                   -1 :               0.00011303493636
                   +0 :               0.00033237514549
                   +1 :              -0.00016267522201
                   +2 :              -0.00038474822760
              5 vec=     5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00023117640507
                2s
                   +0 :               0.00303914572079
                3s
                   +0 :              -0.00019592986723
                2p
                   -1 :              -0.00343853507321
                   +0 :               0.00041216142432
                   +1 :               0.00272193832993
                3p
                   -1 :               0.00061487990585
                   +0 :              -0.00020737511248
                   +1 :              -0.00062193423543
                3d
                   -2 :              -0.00012849173146
                   -1 :              -0.00003781761495
                   +0 :               0.00000343798352
                   +1 :              -0.00001023120618
                   +2 :              -0.00005315625512
              6 vec=     5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00068162499052
                2s
                   +0 :               0.00505780655901
                3s
                   +0 :              -0.00189463663172
                2p
                   -1 :               0.00435861442924
                   +0 :               0.00125718073559
                   +1 :               0.00146926564730
                3p
                   -1 :              -0.00187005526508
                   +0 :              -0.00119650878890
                   +1 :              -0.00053723460541
                3d
                   -2 :              -0.00003405337447
                   -1 :              -0.00004422730292
                   +0 :               0.00000760471293
                   +1 :              -0.00006245660867
                   +2 :               0.00002518990417
              7 vec=   -10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00001190667357
                2s
                   +0 :              -0.00033358679351
                3s
                   +0 :              -0.00013218187551
                2p
                   -1 :              -0.00007990611966
                   +0 :               0.00007776978530
                   +1 :               0.00011969416027
                3p
                   -1 :               0.00004937601512
                   +0 :              -0.00006845062374
                   +1 :               0.00016264185878
                3d
                   -2 :               0.00001497977252
                   -1 :               0.00000014483421
                   +0 :               0.00000059975940
                   +1 :               0.00000098221724
                   +2 :              -0.00001877776258
              8 vec=    -2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00002789106352
                2s
                   +0 :               0.00034269699725
                3s
                   +0 :              -0.00005714406907
                2p
                   -1 :              -0.00030803325210
                   +0 :               0.00005135753627
                   +1 :              -0.00017214130682
                3p
                   -1 :               0.00001145580465
                   +0 :              -0.00004645571030
                   +1 :              -0.00009362505661
                3d
                   -2 :               0.00002395526755
                   -1 :              -0.00000226871246
                   +0 :               0.00000320496014
                   +1 :              -0.00000409125452
                   +2 :              -0.00004040902741
              9 vec=   -10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005301507410
                2s
                   +0 :              -0.00074083646654
                3s
                   +0 :               0.00013601371550
                2p
                   -1 :              -0.00000996192927
                   +0 :              -0.00000026766260
                   +1 :               0.00056566784275
                3p
                   -1 :              -0.00021297964320
                   +0 :               0.00001221606222
                   +1 :              -0.00022669208424
                3d
                   -2 :               0.00002460840671
                   -1 :              -0.00000094660141
                   +0 :               0.00002451184086
                   +1 :              -0.00001572858145
                   +2 :               0.00003023086830
             10 vec=    13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00000033772743
                2s
                   +0 :               0.00033534363925
                3s
                   +0 :               0.00008161157735
                2p
                   -1 :              -0.00010271818495
                   +0 :               0.00013762481676
                   +1 :               0.00022016390735
                3p
                   -1 :              -0.00023210690089
                   +0 :              -0.00011327844649
                   +1 :              -0.00000210284755
                3d
                   -2 :              -0.00004067324994
                   -1 :              -0.00000809800222
                   +0 :              -0.00003701667785
                   +1 :               0.00000392318848
                   +2 :              -0.00004606016936
             11 vec=    -2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00005065702627
                2s
                   +0 :               0.00040925201034
                3s
                   +0 :              -0.00011838870590
                2p
                   -1 :               0.00035822840478
                   +0 :               0.00011118625271
                   +1 :              -0.00005213936075
                3p
                   -1 :              -0.00007126571967
                   +0 :              -0.00010997643309
                   +1 :              -0.00009048336593
                3d
                   -2 :              -0.00002004238314
                   -1 :              -0.00000956569568
                   +0 :              -0.00000022681412
                   +1 :               0.00000496503068
                   +2 :              -0.00001822372744
             12 vec=    13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00008901212850
                2s
                   +0 :               0.00094766985266
                3s
                   +0 :              -0.00019711336101
                2p
                   -1 :               0.00077847960401
                   +0 :              -0.00022383093958
                   +1 :               0.00030059164659
                3p
                   -1 :              -0.00030964214513
                   +0 :               0.00018931174745
                   +1 :              -0.00017219922568
                3d
                   -2 :              -0.00002210714149
                   -1 :              -0.00000477765727
                   +0 :               0.00001724384547
                   +1 :               0.00000657166655
                   +2 :              -0.00002426963583
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 21)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00000845779973
                2s
                   +0 :              -0.00012408044620
                3s
                   +0 :               0.00003311889139
                2p
                   -1 :               0.00005860687047
                   +0 :              -0.02985505602130
                   +1 :               0.88305149066673
                3p
                   -1 :              -0.00003894041934
                   +0 :               0.01093951324322
                   +1 :              -0.04521042810776
                3d
                   -2 :               0.00251135500824
                   -1 :               0.00317920051367
                   +0 :               0.00000138915839
                   +1 :              -0.00003123664282
                   +2 :               0.00000170969168
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00036200212420
                2s
                   +0 :              -0.00188222653122
                3s
                   +0 :               0.00095009091988
                2p
                   -1 :               0.00216875186834
                   +0 :              -0.00098481907786
                   +1 :              -0.00004365639632
                3p
                   -1 :              -0.00140484244397
                   +0 :               0.00099718835511
                   +1 :               0.00015883071346
                3d
                   -2 :               0.00019990254617
                   -1 :               0.00002295542600
                   +0 :               0.00008182353301
                   +1 :              -0.00001855723473
                   +2 :               0.00001165518433
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00019976299976
                2s
                   +0 :              -0.00102194129000
                3s
                   +0 :               0.00036490896697
                2p
                   -1 :              -0.00388061640800
                   +0 :               0.00000172005550
                   +1 :              -0.00067607414124
                3p
                   -1 :               0.00126710884974
                   +0 :              -0.00005010238089
                   +1 :               0.00052411740704
                3d
                   -2 :               0.00018324892606
                   -1 :              -0.00009748666805
                   +0 :              -0.00014704314762
                   +1 :              -0.00007703972309
                   +2 :               0.00001439099545
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000071540041
                2s
                   +0 :               0.00000537163920
                3s
                   +0 :              -0.00000124334575
                2p
                   -1 :               0.00000613092205
                   +0 :               0.00051791584760
                   +1 :              -0.00446400782675
                3p
                   -1 :              -0.00000059388077
                   +0 :              -0.00048424121131
                   +1 :               0.00090517537157
                3d
                   -2 :               0.00014495056799
                   -1 :               0.00006778366698
                   +0 :               0.00000027145841
                   +1 :              -0.00000023096882
                   +2 :              -0.00000001049007
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000028573895
                2s
                   +0 :               0.00000000200878
                3s
                   +0 :              -0.00000221627269
                2p
                   -1 :               0.00000285581361
                   +0 :               0.00006822017214
                   +1 :              -0.00214500552499
                3p
                   -1 :              -0.00000238948805
                   +0 :              -0.00013322706184
                   +1 :              -0.00107391903960
                3d
                   -2 :              -0.00050026758854
                   -1 :               0.00019687716824
                   +0 :              -0.00000006023266
                   +1 :               0.00000020141404
                   +2 :               0.00000020348743
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00035854725741
                2s
                   +0 :               0.00185695854771
                3s
                   +0 :              -0.00093935834446
                2p
                   -1 :              -0.00216921544850
                   +0 :              -0.00100785616913
                   +1 :              -0.00004132286207
                3p
                   -1 :               0.00140600220850
                   +0 :               0.00099850185736
                   +1 :               0.00016465211321
                3d
                   -2 :               0.00019929525146
                   -1 :               0.00002360026415
                   +0 :              -0.00008155741509
                   +1 :               0.00001883900218
                   +2 :              -0.00001133222358
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00019977911307
                2s
                   +0 :               0.00101830500728
                3s
                   +0 :              -0.00036631484131
                2p
                   -1 :               0.00389267270306
                   +0 :               0.00001362404051
                   +1 :              -0.00068630232929
                3p
                   -1 :              -0.00127823793181
                   +0 :              -0.00005584974483
                   +1 :               0.00052699086691
                3d
                   -2 :               0.00018360850018
                   -1 :              -0.00009752166087
                   +0 :               0.00014667837202
                   +1 :               0.00007680210367
                   +2 :              -0.00001332467552
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00008108630499
                2s
                   +0 :              -0.00109326385157
                3s
                   +0 :               0.00011218122076
                2p
                   -1 :               0.00031298687730
                   +0 :              -0.00013745247603
                   +1 :               0.00121217462642
                3p
                   -1 :              -0.00012561538593
                   +0 :               0.00008872633237
                   +1 :              -0.00015959731410
                3d
                   -2 :              -0.00000252335338
                   -1 :               0.00000087507208
                   +0 :               0.00001914014528
                   +1 :              -0.00000623992964
                   +2 :              -0.00005201709674
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003780203109
                2s
                   +0 :              -0.00051911751478
                3s
                   +0 :               0.00002551509380
                2p
                   -1 :               0.00046299272746
                   +0 :              -0.00003834722184
                   +1 :               0.00011616199879
                3p
                   -1 :              -0.00000095401169
                   +0 :               0.00003196472580
                   +1 :               0.00007376968783
                3d
                   -2 :              -0.00003045401954
                   -1 :               0.00000096305523
                   +0 :               0.00002377716674
                   +1 :               0.00001361371070
                   +2 :               0.00002230811793
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000967190405
                2s
                   +0 :              -0.00025664383845
                3s
                   +0 :              -0.00007998455298
                2p
                   -1 :              -0.00067081583992
                   +0 :               0.00026601148351
                   +1 :               0.00022399323816
                3p
                   -1 :               0.00023415901073
                   +0 :              -0.00025203378123
                   +1 :              -0.00005622553563
                3d
                   -2 :               0.00001224216360
                   -1 :              -0.00002060900392
                   +0 :              -0.00001827487322
                   +1 :               0.00002487377702
                   +2 :              -0.00002271107738
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004004405402
                2s
                   +0 :               0.00053747251391
                3s
                   +0 :              -0.00003013126522
                2p
                   -1 :              -0.00046922414687
                   +0 :              -0.00003554274237
                   +1 :               0.00011896448608
                3p
                   -1 :               0.00000237919405
                   +0 :               0.00003166281004
                   +1 :               0.00007110169550
                3d
                   -2 :              -0.00003036412545
                   -1 :               0.00000080669045
                   +0 :              -0.00002365275115
                   +1 :              -0.00001390780017
                   +2 :              -0.00002231927999
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000907336804
                2s
                   +0 :               0.00025931413643
                3s
                   +0 :               0.00007809871873
                2p
                   -1 :               0.00067021504261
                   +0 :               0.00026651967359
                   +1 :               0.00022161402348
                3p
                   -1 :              -0.00023371077554
                   +0 :              -0.00025187767676
                   +1 :              -0.00005394187415
                3d
                   -2 :               0.00001258798127
                   -1 :              -0.00002103364438
                   +0 :               0.00001824013623
                   +1 :              -0.00002499011063
                   +2 :               0.00002287842939
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00007990875999
                2s
                   +0 :               0.00108789093286
                3s
                   +0 :              -0.00010748431455
                2p
                   -1 :              -0.00031151653017
                   +0 :              -0.00013911739104
                   +1 :               0.00120544170558
                3p
                   -1 :               0.00012485007494
                   +0 :               0.00009274898585
                   +1 :              -0.00015411962719
                3d
                   -2 :              -0.00000249852363
                   -1 :               0.00000088899313
                   +0 :              -0.00001861054122
                   +1 :               0.00000639417330
                   +2 :               0.00005210398140
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002474641113
                2s
                   +0 :              -0.00023480651378
                3s
                   +0 :               0.00005927036682
                2p
                   -1 :               0.00019151970234
                   +0 :               0.00004129899450
                   +1 :               0.00014397189182
                3p
                   -1 :              -0.00008304737386
                   +0 :              -0.00004151304128
                   +1 :              -0.00003479222955
                3d
                   -2 :               0.00000033934614
                   -1 :               0.00000059812321
                   +0 :               0.00000316345951
                   +1 :               0.00000626609674
                   +2 :              -0.00000090292687
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000592322056
                2s
                   +0 :              -0.00010496567067
                3s
                   +0 :               0.00000194952122
                2p
                   -1 :              -0.00007862638674
                   +0 :              -0.00006536883745
                   +1 :               0.00007664325332
                3p
                   -1 :               0.00000393910537
                   +0 :               0.00004746746440
                   +1 :               0.00001688640757
                3d
                   -2 :               0.00000051257933
                   -1 :               0.00000525282786
                   +0 :               0.00000355813077
                   +1 :              -0.00000234294724
                   +2 :              -0.00000029102928
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000001763470
                2s
                   +0 :               0.00000056843913
                3s
                   +0 :               0.00000011737181
                2p
                   -1 :              -0.00000056399544
                   +0 :              -0.00000688299880
                   +1 :               0.00001411939917
                3p
                   -1 :               0.00000029867599
                   +0 :              -0.00000083818790
                   +1 :               0.00002035078434
                3d
                   -2 :              -0.00000747120089
                   -1 :              -0.00000046246141
                   +0 :              -0.00000000512948
                   +1 :              -0.00000003702382
                   +2 :               0.00000003820153
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000021085257
                2s
                   +0 :              -0.00000193491956
                3s
                   +0 :               0.00000033404037
                2p
                   -1 :              -0.00000129941217
                   +0 :               0.00001586589496
                   +1 :               0.00004311896990
                3p
                   -1 :               0.00000115791639
                   +0 :              -0.00000945832991
                   +1 :              -0.00001045966480
                3d
                   -2 :               0.00000293655447
                   -1 :              -0.00000442798510
                   +0 :               0.00000006549473
                   +1 :               0.00000011733896
                   +2 :              -0.00000000869916
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002504071514
                2s
                   +0 :               0.00023794525646
                3s
                   +0 :              -0.00005938320908
                2p
                   -1 :              -0.00019112087565
                   +0 :               0.00004062712905
                   +1 :               0.00014354079279
                3p
                   -1 :               0.00008292761564
                   +0 :              -0.00004042511528
                   +1 :              -0.00003413755353
                3d
                   -2 :               0.00000033589802
                   -1 :               0.00000053958429
                   +0 :              -0.00000302669701
                   +1 :              -0.00000629060703
                   +2 :               0.00000095639685
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000529645502
                2s
                   +0 :               0.00010154289000
                3s
                   +0 :               0.00000001306203
                2p
                   -1 :               0.00008020782503
                   +0 :              -0.00006372351919
                   +1 :               0.00007399566574
                3p
                   -1 :              -0.00000519641613
                   +0 :               0.00004825419629
                   +1 :               0.00001878964881
                3d
                   -2 :               0.00000057713363
                   -1 :               0.00000519876569
                   +0 :              -0.00000356561138
                   +1 :               0.00000233400563
                   +2 :               0.00000021470929
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 22)  npairs=  14
              1 vec=    -2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00001544649433
                2s
                   +0 :              -0.00026735533824
                3s
                   +0 :               0.00005151335578
                2p
                   -1 :              -0.00010195068635
                   +0 :               0.00025389770356
                   +1 :              -0.00013697379604
                3p
                   -1 :               0.00005197824149
                   +0 :              -0.00019605092309
                   +1 :               0.00007764810447
                3d
                   -2 :              -0.00000821539230
                   -1 :              -0.00000742487292
                   +0 :               0.00001553522939
                   +1 :              -0.00000705707089
                   +2 :              -0.00001756317665
              2 vec=    -2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003866853578
                2s
                   +0 :               0.00040307160756
                3s
                   +0 :              -0.00017579759224
                2p
                   -1 :              -0.00001777978296
                   +0 :               0.00020351350834
                   +1 :              -0.00020366298353
                3p
                   -1 :              -0.00008131680167
                   +0 :              -0.00004181678629
                   +1 :               0.00003128128820
                3d
                   -2 :               0.00000755006206
                   -1 :               0.00001295027829
                   +0 :               0.00002156715454
                   +1 :              -0.00000350723256
                   +2 :               0.00000873445353
              3 vec=     5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000200882943
                2s
                   +0 :               0.00030270730814
                3s
                   +0 :               0.00020222973892
                2p
                   -1 :               0.00023631083506
                   +0 :              -0.00003694432564
                   +1 :              -0.00008365490706
                3p
                   -1 :               0.00002687288856
                   +0 :              -0.00027460974543
                   +1 :               0.00015235754850
                3d
                   -2 :               0.00002598789768
                   -1 :              -0.00003384378035
                   +0 :               0.00002922392018
                   +1 :              -0.00003876747935
                   +2 :               0.00003384678862
              4 vec=     5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000922997550
                2s
                   +0 :               0.00016454916892
                3s
                   +0 :               0.00006391119231
                2p
                   -1 :               0.00034183747956
                   +0 :               0.00035406549124
                   +1 :              -0.00009879757295
                3p
                   -1 :              -0.00006043030439
                   +0 :              -0.00007341635034
                   +1 :               0.00000138314835
                3d
                   -2 :               0.00002410170069
                   -1 :               0.00001281914486
                   +0 :               0.00001964009211
                   +1 :              -0.00000215583393
                   +2 :              -0.00002659566743
              5 vec=    -2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000649867432
                2s
                   +0 :               0.00003614717481
                3s
                   +0 :              -0.00004257393117
                2p
                   -1 :              -0.00019687931560
                   +0 :               0.00005658278550
                   +1 :               0.00018344034127
                3p
                   -1 :               0.00014320305852
                   +0 :              -0.00014299450747
                   +1 :              -0.00009621405352
                3d
                   -2 :              -0.00001906633009
                   -1 :              -0.00001836883684
                   +0 :               0.00002426228172
                   +1 :               0.00000803841831
                   +2 :              -0.00002187212281
              6 vec=    -2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001839511273
                2s
                   +0 :              -0.00003568042557
                3s
                   +0 :               0.00007436311277
                2p
                   -1 :               0.00009349630013
                   +0 :              -0.00012086829252
                   +1 :               0.00016306074698
                3p
                   -1 :              -0.00005736042398
                   +0 :               0.00022656896394
                   +1 :              -0.00017180977176
                3d
                   -2 :              -0.00000920488133
                   -1 :               0.00001940379523
                   +0 :               0.00003881557253
                   +1 :              -0.00001740981031
                   +2 :              -0.00000745384260
              7 vec=     5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003692989849
                2s
                   +0 :               0.00035051413653
                3s
                   +0 :              -0.00009348002398
                2p
                   -1 :               0.00005416653585
                   +0 :              -0.00008899241863
                   +1 :               0.00010088488876
                3p
                   -1 :              -0.00001109171601
                   +0 :              -0.00001032282457
                   +1 :              -0.00000963747533
                3d
                   -2 :               0.00000087604237
                   -1 :              -0.00001157897509
                   +0 :              -0.00001044411929
                   +1 :              -0.00001197166351
                   +2 :               0.00000242603074
              8 vec=     5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00008618358204
                2s
                   +0 :               0.00074398635550
                3s
                   +0 :              -0.00019568630105
                2p
                   -1 :              -0.00038097819159
                   +0 :               0.00053772891027
                   +1 :               0.00015495744705
                3p
                   -1 :               0.00021549837481
                   +0 :              -0.00013603916463
                   +1 :              -0.00005427820761
                3d
                   -2 :               0.00000902827562
                   -1 :               0.00001116183257
                   +0 :               0.00000678920738
                   +1 :               0.00002958210238
                   +2 :              -0.00000482461283
              9 vec=   -10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00004712392677
                2s
                   +0 :              -0.00034086459568
                3s
                   +0 :               0.00013836884347
                2p
                   -1 :              -0.00021873394983
                   +0 :               0.00030905521255
                   +1 :               0.00022048982957
                3p
                   -1 :               0.00018295735344
                   +0 :              -0.00016246114933
                   +1 :              -0.00015769333319
                3d
                   -2 :              -0.00000725068250
                   -1 :              -0.00000824505326
                   +0 :               0.00000733230916
                   +1 :               0.00002005399937
                   +2 :               0.00001103170651
             10 vec=   -10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000380066449
                2s
                   +0 :               0.00002024448779
                3s
                   +0 :              -0.00000469434201
                2p
                   -1 :              -0.00021287540048
                   +0 :               0.00015586754270
                   +1 :              -0.00006466990373
                3p
                   -1 :               0.00019741839631
                   +0 :              -0.00019384413867
                   +1 :               0.00008317404600
                3d
                   -2 :              -0.00000701924840
                   -1 :               0.00002025841258
                   +0 :              -0.00001257516439
                   +1 :               0.00000275011833
                   +2 :              -0.00000765210663
             11 vec=    -2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002137183516
                2s
                   +0 :              -0.00015954151164
                3s
                   +0 :               0.00004440029915
                2p
                   -1 :               0.00013146504373
                   +0 :               0.00001387132872
                   +1 :              -0.00007951271566
                3p
                   -1 :              -0.00008938063941
                   +0 :               0.00001040925252
                   +1 :               0.00001950326897
                3d
                   -2 :               0.00000266666485
                   -1 :              -0.00000021079473
                   +0 :              -0.00000542805837
                   +1 :               0.00000544091697
                   +2 :               0.00000175199183
             12 vec=    -2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001349120879
                2s
                   +0 :              -0.00010434044176
                3s
                   +0 :               0.00005033921925
                2p
                   -1 :               0.00014542562099
                   +0 :              -0.00004749922603
                   +1 :              -0.00015942032955
                3p
                   -1 :              -0.00009836758278
                   +0 :               0.00002566029243
                   +1 :               0.00014319418772
                3d
                   -2 :              -0.00000363735670
                   -1 :              -0.00000952409977
                   +0 :              -0.00000237441059
                   +1 :               0.00000329577450
                   +2 :              -0.00000156184191
             13 vec=   -10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001364829611
                2s
                   +0 :              -0.00013469427227
                3s
                   +0 :               0.00002277802192
                2p
                   -1 :               0.00011934311647
                   +0 :               0.00005039411806
                   +1 :               0.00013690018866
                3p
                   -1 :              -0.00004443070144
                   +0 :               0.00003026709372
                   +1 :              -0.00004463456766
                3d
                   -2 :              -0.00000181446558
                   -1 :               0.00000069928625
                   +0 :              -0.00000317502559
                   +1 :               0.00000002982020
                   +2 :               0.00000474008850
             14 vec=   -10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001125668720
                2s
                   +0 :              -0.00011336032836
                3s
                   +0 :               0.00003788873290
                2p
                   -1 :               0.00010207010191
                   +0 :              -0.00017304690396
                   +1 :               0.00020378242138
                3p
                   -1 :              -0.00002515839250
                   +0 :               0.00003813758788
                   +1 :              -0.00008116982268
                3d
                   -2 :              -0.00000256980160
                   -1 :               0.00000203775337
                   +0 :               0.00000074207126
                   +1 :              -0.00000496372817
                   +2 :               0.00000140250167
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 23)  npairs=  14
              1 vec=     2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00004100336425
                2s
                   +0 :              -0.00039319309204
                3s
                   +0 :               0.00018228066475
                2p
                   -1 :               0.00020674271101
                   +0 :               0.00020226117452
                   +1 :              -0.00002000764042
                3p
                   -1 :              -0.00011354322769
                   +0 :              -0.00011142321476
                   +1 :              -0.00002533648624
                3d
                   -2 :               0.00001300626950
                   -1 :               0.00003740427935
                   +0 :              -0.00001154016073
                   +1 :               0.00000181942293
                   +2 :              -0.00003674954874
              2 vec=     2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004141758204
                2s
                   +0 :               0.00051514935350
                3s
                   +0 :              -0.00013953956670
                2p
                   -1 :               0.00038277480695
                   +0 :               0.00033835785408
                   +1 :              -0.00008733773393
                3p
                   -1 :              -0.00022509306557
                   +0 :              -0.00018722370379
                   +1 :              -0.00001787574083
                3d
                   -2 :               0.00001574131564
                   -1 :              -0.00000320861505
                   +0 :              -0.00001334511379
                   +1 :              -0.00000278167885
                   +2 :               0.00001478228034
              3 vec=    -5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002467005391
                2s
                   +0 :              -0.00040648356674
                3s
                   +0 :               0.00002615562795
                2p
                   -1 :              -0.00036783912775
                   +0 :               0.00019289679763
                   +1 :              -0.00016376632144
                3p
                   -1 :               0.00010276865124
                   +0 :               0.00006996759231
                   +1 :               0.00006993691882
                3d
                   -2 :               0.00000359494256
                   -1 :               0.00000541301080
                   +0 :              -0.00003780000207
                   +1 :               0.00000504803631
                   +2 :               0.00001675908158
              4 vec=    -5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004905709147
                2s
                   +0 :               0.00007506625962
                3s
                   +0 :              -0.00028764824307
                2p
                   -1 :              -0.00063554601948
                   +0 :              -0.00025257624462
                   +1 :              -0.00040404622331
                3p
                   -1 :               0.00017163260021
                   +0 :              -0.00026103036156
                   +1 :               0.00026513418847
                3d
                   -2 :               0.00000394228262
                   -1 :              -0.00003535817596
                   +0 :              -0.00004695667601
                   +1 :               0.00002649160176
                   +2 :               0.00000045110940
              5 vec=     2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002185063779
                2s
                   +0 :               0.00004892487047
                3s
                   +0 :              -0.00009182300225
                2p
                   -1 :              -0.00011565471770
                   +0 :              -0.00017365800851
                   +1 :               0.00025647940847
                3p
                   -1 :               0.00005950041871
                   +0 :               0.00026804832864
                   +1 :              -0.00024164384464
                3d
                   -2 :              -0.00000195415803
                   -1 :               0.00001197267320
                   +0 :              -0.00003713850847
                   +1 :               0.00001580535500
                   +2 :              -0.00000113835147
              6 vec=     2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000582746213
                2s
                   +0 :               0.00000909658340
                3s
                   +0 :              -0.00000882391778
                2p
                   -1 :               0.00028574626814
                   +0 :               0.00025658871890
                   +1 :              -0.00005402436622
                3p
                   -1 :              -0.00024038016518
                   +0 :              -0.00029641598660
                   +1 :               0.00002833950784
                3d
                   -2 :              -0.00001573093456
                   -1 :              -0.00001807683593
                   +0 :              -0.00002329699290
                   +1 :               0.00000745829811
                   +2 :               0.00001465517300
              7 vec=    -5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00005468651306
                2s
                   +0 :              -0.00054784114791
                3s
                   +0 :               0.00009833048524
                2p
                   -1 :               0.00001487347330
                   +0 :               0.00024348014901
                   +1 :               0.00000778584418
                3p
                   -1 :               0.00007290698532
                   +0 :              -0.00000710104241
                   +1 :               0.00005799038715
                3d
                   -2 :               0.00001621396696
                   -1 :               0.00001117932719
                   +0 :               0.00000694747410
                   +1 :              -0.00001731923340
                   +2 :               0.00001302345903
              8 vec=    -5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002763496775
                2s
                   +0 :              -0.00027908873979
                3s
                   +0 :               0.00008005898099
                2p
                   -1 :              -0.00010467579584
                   +0 :              -0.00013298892039
                   +1 :               0.00013488326318
                3p
                   -1 :               0.00005307775215
                   +0 :              -0.00000989668521
                   +1 :              -0.00000399353408
                3d
                   -2 :              -0.00001220542116
                   -1 :              -0.00000419124633
                   +0 :               0.00000804142761
                   +1 :               0.00001534032724
                   +2 :              -0.00000638549113
              9 vec=    10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00002268444158
                2s
                   +0 :               0.00023944960373
                3s
                   +0 :              -0.00003693633475
                2p
                   -1 :               0.00015618353206
                   +0 :               0.00004816385879
                   +1 :              -0.00000923117289
                3p
                   -1 :              -0.00015961969413
                   +0 :              -0.00009807032421
                   +1 :               0.00008562685371
                3d
                   -2 :              -0.00000795230754
                   -1 :               0.00001708227503
                   +0 :               0.00000187208831
                   +1 :              -0.00000387622373
                   +2 :               0.00001723813329
             10 vec=    10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00003289227607
                2s
                   +0 :               0.00019198548886
                3s
                   +0 :              -0.00009434297447
                2p
                   -1 :               0.00024392910522
                   +0 :               0.00027278984662
                   +1 :               0.00011817402056
                3p
                   -1 :              -0.00019779801356
                   +0 :              -0.00014645594553
                   +1 :              -0.00006188345867
                3d
                   -2 :              -0.00000464862859
                   -1 :              -0.00001115590045
                   +0 :              -0.00001056220914
                   +1 :              -0.00001725189337
                   +2 :              -0.00001284402305
             11 vec=     2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001755635596
                2s
                   +0 :              -0.00017916734604
                3s
                   +0 :               0.00000192275931
                2p
                   -1 :               0.00017119202071
                   +0 :              -0.00000603411133
                   +1 :               0.00003788330422
                3p
                   -1 :              -0.00000884895137
                   +0 :              -0.00001066864667
                   +1 :               0.00001593333043
                3d
                   -2 :              -0.00000789007357
                   -1 :              -0.00001925820512
                   +0 :               0.00001057605351
                   +1 :              -0.00000914818305
                   +2 :               0.00002516571422
             12 vec=     2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001129190581
                2s
                   +0 :               0.00007673897150
                3s
                   +0 :              -0.00001952752180
                2p
                   -1 :              -0.00003168133217
                   +0 :               0.00000259389596
                   +1 :              -0.00004926154154
                3p
                   -1 :               0.00000053767301
                   +0 :               0.00000260851023
                   +1 :              -0.00001182636770
                3d
                   -2 :               0.00000483291219
                   -1 :               0.00000006467182
                   +0 :               0.00000395303202
                   +1 :               0.00000355776492
                   +2 :              -0.00000230330002
             13 vec=    10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001771140707
                2s
                   +0 :               0.00020641168452
                3s
                   +0 :              -0.00004550588219
                2p
                   -1 :              -0.00009558323862
                   +0 :              -0.00013437478059
                   +1 :               0.00016807337926
                3p
                   -1 :               0.00002240101839
                   +0 :               0.00006327486523
                   +1 :              -0.00010873296683
                3d
                   -2 :               0.00000439456951
                   -1 :              -0.00000437842700
                   +0 :              -0.00001125606857
                   +1 :               0.00000609240589
                   +2 :               0.00000001457657
             14 vec=    10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000456685719
                2s
                   +0 :               0.00007646643449
                3s
                   +0 :               0.00001017416992
                2p
                   -1 :              -0.00008122707728
                   +0 :               0.00000460896156
                   +1 :               0.00006382599100
                3p
                   -1 :               0.00002106899851
                   +0 :               0.00004492500292
                   +1 :               0.00001572867959
                3d
                   -2 :              -0.00000087793732
                   -1 :               0.00000100325604
                   +0 :              -0.00000080723354
                   +1 :              -0.00000261479362
                   +2 :              -0.00000710735982
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 24)  npairs=  18
              1 vec=     0.000000      3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00011543392462
                2s
                   +0 :              -0.00092883315808
                3s
                   +0 :               0.00041196414293
                2p
                   -1 :              -0.00003262716140
                   +0 :               0.00069744555074
                   +1 :               0.00028327386922
                3p
                   -1 :              -0.00010705367130
                   +0 :              -0.00053425384668
                   +1 :              -0.00010081064389
                3d
                   -2 :               0.00000598990070
                   -1 :               0.00001961569262
                   +0 :               0.00006859060189
                   +1 :              -0.00000784133702
                   +2 :               0.00001083400496
              2 vec=     0.000000      3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00012664034931
                2s
                   +0 :               0.00095901293104
                3s
                   +0 :              -0.00047859912654
                2p
                   -1 :              -0.00000875299850
                   +0 :               0.00060943797766
                   +1 :               0.00028157013533
                3p
                   -1 :               0.00005242822353
                   +0 :              -0.00050659684678
                   +1 :              -0.00016377654967
                3d
                   -2 :              -0.00001125589332
                   -1 :               0.00000668182227
                   +0 :              -0.00005734105140
                   +1 :              -0.00000882325288
                   +2 :              -0.00001518368686
              3 vec=     0.000000     -5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00002887200673
                2s
                   +0 :              -0.00011687323675
                3s
                   +0 :               0.00012552664909
                2p
                   -1 :               0.00025618754685
                   +0 :               0.00029718978386
                   +1 :              -0.00048104918784
                3p
                   -1 :              -0.00012552270942
                   +0 :              -0.00022088602387
                   +1 :              -0.00002149196705
                3d
                   -2 :              -0.00000458639899
                   -1 :               0.00000389052336
                   +0 :               0.00000514848997
                   +1 :               0.00004550310121
                   +2 :              -0.00000365138820
              4 vec=     0.000000     -5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00005991585250
                2s
                   +0 :               0.00030659700368
                3s
                   +0 :              -0.00017379704612
                2p
                   -1 :              -0.00016198721424
                   +0 :               0.00002195702520
                   +1 :              -0.00056187065084
                3p
                   -1 :               0.00012008615506
                   +0 :              -0.00014295754846
                   +1 :              -0.00004701828808
                3d
                   -2 :               0.00001249846849
                   -1 :               0.00000068929236
                   +0 :              -0.00002116249978
                   +1 :              -0.00004860808806
                   +2 :               0.00001720499751
              5 vec=    -7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00006480771289
                2s
                   +0 :              -0.00078625896503
                3s
                   +0 :               0.00014695763711
                2p
                   -1 :               0.00006439352672
                   +0 :               0.00031425048166
                   +1 :               0.00018033495600
                3p
                   -1 :               0.00001344911872
                   +0 :               0.00000934313423
                   +1 :              -0.00001580266428
                3d
                   -2 :              -0.00003801139330
                   -1 :              -0.00002845458838
                   +0 :              -0.00003521263687
                   +1 :               0.00000905787626
                   +2 :               0.00000594758579
              6 vec=    -7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003460337397
                2s
                   +0 :              -0.00031034845245
                3s
                   +0 :               0.00011199576598
                2p
                   -1 :               0.00032401122529
                   +0 :              -0.00031565467566
                   +1 :              -0.00004119844264
                3p
                   -1 :              -0.00017196491285
                   +0 :               0.00013578160774
                   +1 :               0.00007059118036
                3d
                   -2 :              -0.00000845346826
                   -1 :              -0.00000144321993
                   +0 :               0.00001716356591
                   +1 :               0.00000523639990
                   +2 :              -0.00000187733117
              7 vec=     7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004402262841
                2s
                   +0 :               0.00045430748509
                3s
                   +0 :              -0.00013626167617
                2p
                   -1 :              -0.00031709536979
                   +0 :              -0.00036852202215
                   +1 :              -0.00003894965738
                3p
                   -1 :               0.00015173715723
                   +0 :               0.00019196013357
                   +1 :               0.00006231549794
                3d
                   -2 :              -0.00000383077040
                   -1 :              -0.00000230997485
                   +0 :              -0.00001372772159
                   +1 :              -0.00000328443386
                   +2 :              -0.00000077974132
              8 vec=     7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002221424750
                2s
                   +0 :               0.00054212922021
                3s
                   +0 :              -0.00001640469049
                2p
                   -1 :              -0.00029708408071
                   +0 :               0.00037267606866
                   +1 :               0.00007835724161
                3p
                   -1 :               0.00009878817570
                   +0 :               0.00012881998774
                   +1 :               0.00017520951273
                3d
                   -2 :              -0.00001837982343
                   -1 :              -0.00000031072392
                   +0 :               0.00003450130607
                   +1 :               0.00001656360778
                   +2 :               0.00001289130821
              9 vec=    -7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000154887689
                2s
                   +0 :              -0.00006942351747
                3s
                   +0 :              -0.00006594505576
                2p
                   -1 :              -0.00006257632887
                   +0 :              -0.00016764646875
                   +1 :              -0.00003324256250
                3p
                   -1 :              -0.00000777390843
                   +0 :               0.00022010385837
                   +1 :               0.00009843802729
                3d
                   -2 :               0.00000712971726
                   -1 :               0.00001320223224
                   +0 :              -0.00001978136937
                   +1 :              -0.00002208408629
                   +2 :              -0.00000426122932
             10 vec=    -7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000407906833
                2s
                   +0 :              -0.00000430010726
                3s
                   +0 :              -0.00001659275714
                2p
                   -1 :               0.00007308707567
                   +0 :               0.00005248984927
                   +1 :               0.00005504339819
                3p
                   -1 :              -0.00010819361207
                   +0 :              -0.00007495876406
                   +1 :              -0.00004123987205
                3d
                   -2 :               0.00000382460337
                   -1 :              -0.00000888792601
                   +0 :              -0.00000241908062
                   +1 :              -0.00000523304996
                   +2 :               0.00001107041725
             11 vec=     7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000490186334
                2s
                   +0 :               0.00009798499882
                3s
                   +0 :              -0.00000598936017
                2p
                   -1 :               0.00003124439535
                   +0 :              -0.00003616682623
                   +1 :              -0.00002637904926
                3p
                   -1 :               0.00000436432784
                   +0 :               0.00001851799226
                   +1 :               0.00000116428413
                3d
                   -2 :               0.00000519516927
                   -1 :              -0.00000161100336
                   +0 :              -0.00000094546221
                   +1 :               0.00000189973260
                   +2 :               0.00000009338563
             12 vec=     7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00003616710503
                2s
                   +0 :              -0.00019792403387
                3s
                   +0 :               0.00015526043385
                2p
                   -1 :              -0.00017566053114
                   +0 :              -0.00012310689868
                   +1 :              -0.00009447547518
                3p
                   -1 :               0.00020226492277
                   +0 :               0.00018928945827
                   +1 :               0.00010268570298
                3d
                   -2 :               0.00000038563948
                   -1 :               0.00000625051086
                   +0 :               0.00001149145384
                   +1 :               0.00001296859614
                   +2 :              -0.00000244514379
             13 vec=     0.000000     12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000394866669
                2s
                   +0 :              -0.00003785366209
                3s
                   +0 :               0.00000302737362
                2p
                   -1 :               0.00001518095525
                   +0 :               0.00002629796829
                   +1 :               0.00001159682175
                3p
                   -1 :              -0.00003002546655
                   +0 :              -0.00001432665836
                   +1 :               0.00000288539244
                3d
                   -2 :               0.00000768949462
                   -1 :               0.00000483501257
                   +0 :               0.00000310142465
                   +1 :              -0.00000597613656
                   +2 :               0.00000252767995
             14 vec=     0.000000     12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000624808391
                2s
                   +0 :              -0.00004371919802
                3s
                   +0 :               0.00001423461539
                2p
                   -1 :               0.00000152764987
                   +0 :              -0.00003562124503
                   +1 :              -0.00007800152387
                3p
                   -1 :              -0.00001376735797
                   +0 :               0.00000754687789
                   +1 :               0.00005895249435
                3d
                   -2 :               0.00000412899670
                   -1 :               0.00000316513283
                   +0 :              -0.00000052824348
                   +1 :               0.00000182668509
                   +2 :               0.00000177569252
             15 vec=    -7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000007730865
                2s
                   +0 :              -0.00000498455360
                3s
                   +0 :              -0.00001326350206
                2p
                   -1 :               0.00001035941417
                   +0 :              -0.00003546911994
                   +1 :               0.00007005077896
                3p
                   -1 :              -0.00000941686480
                   +0 :               0.00004019774059
                   +1 :              -0.00004082949643
                3d
                   -2 :               0.00000479718891
                   -1 :               0.00000012309107
                   +0 :              -0.00000359214788
                   +1 :               0.00000037357299
                   +2 :              -0.00000458842135
             16 vec=    -7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001163767600
                2s
                   +0 :               0.00008002106115
                3s
                   +0 :              -0.00003801784132
                2p
                   -1 :              -0.00002459283761
                   +0 :               0.00009340400999
                   +1 :              -0.00001567606483
                3p
                   -1 :               0.00003165346472
                   +0 :              -0.00006953272311
                   +1 :              -0.00001724923581
                3d
                   -2 :              -0.00000533896725
                   -1 :               0.00000661374973
                   +0 :              -0.00000608696462
                   +1 :               0.00000101278178
                   +2 :               0.00000060937098
             17 vec=     7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000660298044
                2s
                   +0 :              -0.00001876348412
                3s
                   +0 :               0.00002616398616
                2p
                   -1 :               0.00002076654083
                   +0 :               0.00007646183975
                   +1 :              -0.00002114812891
                3p
                   -1 :              -0.00002830609063
                   +0 :              -0.00005853558577
                   +1 :              -0.00001260299573
                3d
                   -2 :              -0.00000229435472
                   -1 :               0.00000496466318
                   +0 :               0.00000474617666
                   +1 :              -0.00000217574517
                   +2 :               0.00000035631181
             18 vec=     7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001355543026
                2s
                   +0 :              -0.00007756076327
                3s
                   +0 :               0.00005314125588
                2p
                   -1 :              -0.00004583501988
                   +0 :              -0.00002929387308
                   +1 :               0.00008799289810
                3p
                   -1 :               0.00000954369701
                   +0 :               0.00001897270577
                   +1 :              -0.00005428503000
                3d
                   -2 :               0.00000230948882
                   -1 :              -0.00000073499303
                   +0 :               0.00000299566699
                   +1 :              -0.00000214446302
                   +2 :               0.00000121710350
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 25)  npairs=  14
              1 vec=    -0.209805      0.362794      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00032927662472
                2s
                   +0 :               0.00201338638707
                3s
                   +0 :              -0.00081070838914
                2p
                   -1 :              -0.00088127366312
                   +0 :               0.00051240220355
                   +1 :              -0.00094479538516
                3p
                   -1 :               0.00078688340168
                   +0 :               0.00015495494512
                   +1 :              -0.00052866088229
                3d
                   -2 :               0.00001300731814
                   -1 :               0.00002203543209
                   +0 :               0.00027148307145
                   +1 :              -0.00009473498048
                   +2 :              -0.00009387233515
              2 vec=     7.570358     -4.129085      8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00000102845260
                2s
                   +0 :               0.00059089463030
                3s
                   +0 :               0.00010405779915
                2p
                   -1 :               0.00050545608247
                   +0 :               0.00047726762748
                   +1 :               0.00028011668377
                3p
                   -1 :              -0.00054141366924
                   +0 :               0.00014617708649
                   +1 :              -0.00010858445366
                3d
                   -2 :              -0.00000539072888
                   -1 :              -0.00001010554061
                   +0 :               0.00001043620311
                   +1 :               0.00000934058496
                   +2 :              -0.00004803122011
              3 vec=    -0.209805     -8.620964      8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00001281289446
                2s
                   +0 :              -0.00010224245351
                3s
                   +0 :               0.00000773296108
                2p
                   -1 :               0.00044049088520
                   +0 :              -0.00016270479394
                   +1 :              -0.00048522668056
                3p
                   -1 :              -0.00023546670519
                   +0 :               0.00014161844151
                   +1 :               0.00014929128631
                3d
                   -2 :               0.00005316563658
                   -1 :              -0.00000415958829
                   +0 :               0.00000273818434
                   +1 :              -0.00002180231377
                   +2 :              -0.00000846511948
              4 vec=     7.570358      4.854673      8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00021995083747
                2s
                   +0 :              -0.00108357048742
                3s
                   +0 :               0.00072555347752
                2p
                   -1 :               0.00125186850457
                   +0 :              -0.00052340302269
                   +1 :              -0.00143935634600
                3p
                   -1 :              -0.00087898716799
                   +0 :               0.00048859564092
                   +1 :               0.00125869216198
                3d
                   -2 :              -0.00001968050561
                   -1 :              -0.00005100851767
                   +0 :               0.00005286635818
                   +1 :               0.00014075297728
                   +2 :               0.00006083504584
              5 vec=    -7.989968     -4.129085      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00011912869367
                2s
                   +0 :              -0.00125628480159
                3s
                   +0 :               0.00036223787342
                2p
                   -1 :              -0.00016213321361
                   +0 :              -0.00058380140946
                   +1 :               0.00102346064179
                3p
                   -1 :               0.00040680693454
                   +0 :               0.00008834082012
                   +1 :              -0.00056320554151
                3d
                   -2 :               0.00000327234769
                   -1 :              -0.00000274617571
                   +0 :              -0.00003752556688
                   +1 :              -0.00003444428613
                   +2 :               0.00007798787872
              6 vec=    -0.209805      9.346552      8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00003465820405
                2s
                   +0 :              -0.00019260978466
                3s
                   +0 :               0.00006353330516
                2p
                   -1 :              -0.00043161679072
                   +0 :               0.00029773598724
                   +1 :              -0.00054464603591
                3p
                   -1 :               0.00029255957113
                   +0 :              -0.00035726593520
                   +1 :               0.00027121421913
                3d
                   -2 :               0.00002209390956
                   -1 :              -0.00002552173742
                   +0 :               0.00000243723955
                   +1 :              -0.00003326213530
                   +2 :              -0.00000589212172
              7 vec=    -7.989968      4.854673      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00004573748644
                2s
                   +0 :               0.00007990344163
                3s
                   +0 :              -0.00014712596863
                2p
                   -1 :              -0.00059401024214
                   +0 :              -0.00069792063205
                   +1 :               0.00097737463503
                3p
                   -1 :               0.00032687345763
                   +0 :               0.00052325284705
                   +1 :              -0.00077880777168
                3d
                   -2 :              -0.00000900067493
                   -1 :               0.00001302256319
                   +0 :               0.00000743428349
                   +1 :              -0.00004439955781
                   +2 :               0.00003515103770
              8 vec=    -0.209805      0.362794    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001535084017
                2s
                   +0 :               0.00009855742399
                3s
                   +0 :              -0.00005038825596
                2p
                   -1 :              -0.00006006951203
                   +0 :              -0.00001648795761
                   +1 :               0.00006488044960
                3p
                   -1 :               0.00004995857770
                   +0 :               0.00001238317613
                   +1 :              -0.00007559948407
                3d
                   -2 :               0.00000331650996
                   -1 :              -0.00000457431975
                   +0 :              -0.00000106835251
                   +1 :               0.00000634435851
                   +2 :               0.00000002090834
              9 vec=     7.570358    -13.112843      8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00002517246583
                2s
                   +0 :               0.00020388460733
                3s
                   +0 :              -0.00007352725927
                2p
                   -1 :              -0.00010107575683
                   +0 :               0.00007572747755
                   +1 :               0.00000810353561
                3p
                   -1 :               0.00000193718418
                   +0 :              -0.00004146891745
                   +1 :               0.00000187290199
                3d
                   -2 :              -0.00000567396499
                   -1 :              -0.00000423181361
                   +0 :              -0.00000182858920
                   +1 :              -0.00000170740364
                   +2 :              -0.00000787889716
             10 vec=    15.350520      0.362794      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00002984147196
                2s
                   +0 :               0.00022208164467
                3s
                   +0 :              -0.00008066401787
                2p
                   -1 :              -0.00013709197250
                   +0 :               0.00003766529793
                   +1 :               0.00026026689027
                3p
                   -1 :               0.00014293114965
                   +0 :               0.00000663298875
                   +1 :              -0.00014630666310
                3d
                   -2 :               0.00001405256013
                   -1 :               0.00001093766216
                   +0 :              -0.00000398776086
                   +1 :               0.00000921175745
                   +2 :               0.00000288022174
             11 vec=    -7.989968    -13.112843      8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00000187726994
                2s
                   +0 :              -0.00005743992775
                3s
                   +0 :              -0.00000558808979
                2p
                   -1 :               0.00003556368513
                   +0 :              -0.00007910614962
                   +1 :               0.00004710368415
                3p
                   -1 :               0.00003058356761
                   +0 :               0.00000911989081
                   +1 :              -0.00003864174038
                3d
                   -2 :              -0.00000524493226
                   -1 :               0.00000247687011
                   +0 :               0.00000117308518
                   +1 :              -0.00000240154982
                   +2 :               0.00000669463615
             12 vec=     7.570358     13.838431      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000166090234
                2s
                   +0 :              -0.00001265552466
                3s
                   +0 :               0.00000514282798
                2p
                   -1 :               0.00000126196254
                   +0 :              -0.00011146323959
                   +1 :              -0.00002873909209
                3p
                   -1 :               0.00000100206692
                   +0 :               0.00009269072159
                   +1 :               0.00001242029263
                3d
                   -2 :               0.00000512326809
                   -1 :               0.00000325281507
                   +0 :               0.00000349310785
                   +1 :               0.00000158403694
                   +2 :               0.00000286196887
             13 vec=   -15.770130      0.362794      8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000902543174
                2s
                   +0 :              -0.00007636346804
                3s
                   +0 :              -0.00000532432089
                2p
                   -1 :              -0.00004786949449
                   +0 :              -0.00005481838700
                   +1 :               0.00006356482288
                3p
                   -1 :               0.00000091250541
                   +0 :              -0.00001754940448
                   +1 :              -0.00000824745446
                3d
                   -2 :               0.00000327756784
                   -1 :              -0.00000328295417
                   +0 :              -0.00000199777587
                   +1 :               0.00000316724968
                   +2 :              -0.00000238476454
             14 vec=    -7.989968     13.838431      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000614019904
                2s
                   +0 :              -0.00004891155735
                3s
                   +0 :               0.00001781997715
                2p
                   -1 :              -0.00001928488522
                   +0 :               0.00002174765513
                   +1 :               0.00001074889247
                3p
                   -1 :               0.00000592333563
                   +0 :              -0.00002242029131
                   +1 :              -0.00000047717428
                3d
                   -2 :               0.00000133780532
                   -1 :               0.00000379062898
                   +0 :              -0.00000325791710
                   +1 :               0.00000057276957
                   +2 :              -0.00000247948650
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 26)  npairs=  15
              1 vec=    -4.976970      0.362794      8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00013504063134
                2s
                   +0 :              -0.00186611810088
                3s
                   +0 :               0.00007348502313
                2p
                   -1 :              -0.00315885857122
                   +0 :              -0.00261230875367
                   +1 :               0.00018330692418
                3p
                   -1 :               0.00097791113875
                   +0 :               0.00044621873215
                   +1 :               0.00048176864808
                3d
                   -2 :              -0.00006859157615
                   -1 :              -0.00010311502101
                   +0 :               0.00010375194891
                   +1 :               0.00007807205495
                   +2 :               0.00000507195468
              2 vec=     2.803193     -4.129085      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00016581373487
                2s
                   +0 :               0.00180169204257
                3s
                   +0 :               0.00000783669032
                2p
                   -1 :              -0.00297322736434
                   +0 :               0.00199365496104
                   +1 :              -0.00104421786204
                3p
                   -1 :               0.00065286135011
                   +0 :               0.00056395418167
                   +1 :               0.00080882498176
                3d
                   -2 :              -0.00006416448751
                   -1 :              -0.00007454600100
                   +0 :               0.00002535431642
                   +1 :               0.00008703134949
                   +2 :              -0.00011820891275
              3 vec=     2.803193      4.854673      8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00005315149439
                2s
                   +0 :              -0.00091305933530
                3s
                   +0 :               0.00016477805184
                2p
                   -1 :              -0.00102356672865
                   +0 :              -0.00141767327056
                   +1 :               0.00095285064859
                3p
                   -1 :               0.00078298872874
                   +0 :               0.00098714600825
                   +1 :              -0.00096548787793
                3d
                   -2 :               0.00000028128048
                   -1 :              -0.00000852560440
                   +0 :              -0.00012459064691
                   +1 :              -0.00002454738023
                   +2 :               0.00005955400725
              4 vec=    -4.976970     -8.620964      8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00006258853494
                2s
                   +0 :              -0.00055084681894
                3s
                   +0 :               0.00018676006869
                2p
                   -1 :               0.00025731609938
                   +0 :              -0.00001448973026
                   +1 :               0.00073107233598
                3p
                   -1 :              -0.00015458195953
                   +0 :               0.00011383338418
                   +1 :              -0.00054809106930
                3d
                   -2 :              -0.00000582830403
                   -1 :              -0.00001097899329
                   +0 :               0.00002377633881
                   +1 :              -0.00004211961815
                   +2 :               0.00001480756760
              5 vec=    -4.976970      9.346552      8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00002348175115
                2s
                   +0 :              -0.00032916909483
                3s
                   +0 :               0.00012905152425
                2p
                   -1 :               0.00005224816919
                   +0 :              -0.00026978351432
                   +1 :               0.00015554351515
                3p
                   -1 :              -0.00006414145674
                   +0 :               0.00004806273485
                   +1 :              -0.00011319056805
                3d
                   -2 :              -0.00000359544209
                   -1 :               0.00001611099484
                   +0 :              -0.00000371099685
                   +1 :              -0.00001638061504
                   +2 :              -0.00004293315755
              6 vec=    10.583355      0.362794      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00001064086947
                2s
                   +0 :               0.00039700753561
                3s
                   +0 :               0.00000411634137
                2p
                   -1 :              -0.00001749615452
                   +0 :              -0.00029579050037
                   +1 :               0.00002260501216
                3p
                   -1 :               0.00012019521486
                   +0 :               0.00031334228217
                   +1 :               0.00025908120609
                3d
                   -2 :               0.00003598807234
                   -1 :              -0.00001460814771
                   +0 :              -0.00001183068054
                   +1 :              -0.00000262343392
                   +2 :               0.00000423991607
              7 vec=   -12.757133     -4.129085      8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00000441090556
                2s
                   +0 :              -0.00008688545983
                3s
                   +0 :              -0.00001689433961
                2p
                   -1 :               0.00002814896743
                   +0 :              -0.00022045619182
                   +1 :               0.00018652194111
                3p
                   -1 :               0.00001765890173
                   +0 :               0.00011807065098
                   +1 :              -0.00011323511641
                3d
                   -2 :               0.00000138365542
                   -1 :               0.00001163569436
                   +0 :               0.00000819658446
                   +1 :              -0.00001210394967
                   +2 :              -0.00000039818358
              8 vec=     2.803193    -13.112843      8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00001780160610
                2s
                   +0 :               0.00012244000187
                3s
                   +0 :              -0.00005591972041
                2p
                   -1 :              -0.00012376435018
                   +0 :               0.00011933978184
                   +1 :              -0.00021242578186
                3p
                   -1 :               0.00007479479644
                   +0 :              -0.00005917893942
                   +1 :               0.00013739649250
                3d
                   -2 :               0.00000042635539
                   -1 :               0.00000161443871
                   +0 :              -0.00001104634001
                   +1 :               0.00000976099846
                   +2 :              -0.00000214531926
              9 vec=   -12.757133      4.854673      8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00006847762101
                2s
                   +0 :               0.00044011775936
                3s
                   +0 :              -0.00024106529700
                2p
                   -1 :               0.00002662168188
                   +0 :               0.00001524758904
                   +1 :              -0.00022458671555
                3p
                   -1 :              -0.00001339972320
                   +0 :              -0.00003093140549
                   +1 :               0.00020937370912
                3d
                   -2 :              -0.00000964162766
                   -1 :              -0.00000906834909
                   +0 :              -0.00000106119406
                   +1 :              -0.00000555718923
                   +2 :              -0.00001560048596
             10 vec=    10.583355     -8.620964      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00002245478024
                2s
                   +0 :              -0.00012557419260
                3s
                   +0 :               0.00008962341082
                2p
                   -1 :               0.00010154154982
                   +0 :              -0.00000324970607
                   +1 :               0.00008855285529
                3p
                   -1 :              -0.00007436515256
                   +0 :               0.00001054314121
                   +1 :              -0.00005913366464
                3d
                   -2 :               0.00001458934852
                   -1 :              -0.00001187168466
                   +0 :               0.00000956118442
                   +1 :              -0.00000917914898
                   +2 :              -0.00000444761441
             11 vec=     2.803193     13.838431      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00002239289623
                2s
                   +0 :               0.00014197054735
                3s
                   +0 :              -0.00007006048372
                2p
                   -1 :               0.00017940981899
                   +0 :               0.00001729851390
                   +1 :               0.00007943888883
                3p
                   -1 :              -0.00013953911093
                   +0 :               0.00001696461400
                   +1 :              -0.00008989032847
                3d
                   -2 :              -0.00000766576940
                   -1 :              -0.00000344768072
                   +0 :               0.00001600584015
                   +1 :              -0.00000739300365
                   +2 :               0.00000759761127
             12 vec=    10.583355      9.346552      8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00004995313348
                2s
                   +0 :              -0.00024621811393
                3s
                   +0 :               0.00016772558144
                2p
                   -1 :              -0.00016022877643
                   +0 :              -0.00009136570946
                   +1 :               0.00014743095369
                3p
                   -1 :               0.00018436360699
                   +0 :               0.00011029084781
                   +1 :              -0.00009298296883
                3d
                   -2 :               0.00000067216818
                   -1 :               0.00001337033415
                   +0 :               0.00000323265133
                   +1 :               0.00000075126819
                   +2 :              -0.00000118424117
             13 vec=    -4.976970      0.362794    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00001663883717
                2s
                   +0 :              -0.00010598763036
                3s
                   +0 :               0.00005040486649
                2p
                   -1 :               0.00001633220155
                   +0 :               0.00006640084672
                   +1 :              -0.00006413437216
                3p
                   -1 :              -0.00001954477253
                   +0 :              -0.00002929276941
                   +1 :               0.00004424281848
                3d
                   -2 :              -0.00000210818708
                   -1 :               0.00000453462876
                   +0 :               0.00000494752980
                   +1 :              -0.00000264860850
                   +2 :               0.00000035462440
             14 vec=     2.803193     -4.129085    -16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000220524813
                2s
                   +0 :              -0.00000427522301
                3s
                   +0 :              -0.00001488746075
                2p
                   -1 :               0.00000494300562
                   +0 :               0.00003565726509
                   +1 :              -0.00004899680242
                3p
                   -1 :              -0.00001750887140
                   +0 :               0.00000314789049
                   +1 :               0.00001788736037
                3d
                   -2 :              -0.00000414220923
                   -1 :               0.00000131258469
                   +0 :              -0.00000284374955
                   +1 :              -0.00000075910624
                   +2 :              -0.00000129378632
             15 vec=     2.803193      4.854673    -16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000992126590
                2s
                   +0 :               0.00007013032404
                3s
                   +0 :              -0.00001597371402
                2p
                   -1 :               0.00009546612205
                   +0 :               0.00003547062405
                   +1 :              -0.00010052876045
                3p
                   -1 :              -0.00003627011794
                   +0 :              -0.00009325863158
                   +1 :               0.00002737379332
                3d
                   -2 :              -0.00000199870597
                   -1 :              -0.00000166201398
                   +0 :               0.00000797051210
                   +1 :               0.00000413009087
                   +2 :              -0.00000627566877
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 27)  npairs=  15
              1 vec=    -2.593388      4.491280      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00021945512311
                2s
                   +0 :               0.00156952883659
                3s
                   +0 :              -0.00058866890843
                2p
                   -1 :               0.00350894305174
                   +0 :               0.00066978731216
                   +1 :              -0.00146176582747
                3p
                   -1 :              -0.00242355692979
                   +0 :               0.00041569951933
                   +1 :               0.00065487061789
                3d
                   -2 :               0.00003769219291
                   -1 :              -0.00009810364357
                   +0 :               0.00010682982001
                   +1 :               0.00000161392693
                   +2 :               0.00016388113008
              2 vec=     5.186775     -0.000599      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00004715589669
                2s
                   +0 :               0.00091080368513
                3s
                   +0 :               0.00029066717910
                2p
                   -1 :               0.00113666329080
                   +0 :               0.00306802690160
                   +1 :               0.00187423020015
                3p
                   -1 :              -0.00003446035313
                   +0 :              -0.00056406234452
                   +1 :              -0.00025594465980
                3d
                   -2 :               0.00000797673033
                   -1 :               0.00011889044816
                   +0 :               0.00001036476749
                   +1 :               0.00012007486673
                   +2 :               0.00004038781770
              3 vec=    -2.593388     -4.492478      8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00031717277436
                2s
                   +0 :              -0.00299212468345
                3s
                   +0 :               0.00055046271064
                2p
                   -1 :               0.00302150549815
                   +0 :              -0.00264848563672
                   +1 :              -0.00253277522037
                3p
                   -1 :              -0.00096289808384
                   +0 :               0.00079190953503
                   +1 :               0.00139979960819
                3d
                   -2 :               0.00008973496136
                   -1 :               0.00003459044991
                   +0 :              -0.00004465747572
                   +1 :               0.00006297167932
                   +2 :               0.00000894797186
              4 vec=     5.186775      8.983159      8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00000147664577
                2s
                   +0 :               0.00021359490117
                3s
                   +0 :              -0.00000922668986
                2p
                   -1 :              -0.00018022435221
                   +0 :               0.00025427857157
                   +1 :               0.00044202275748
                3p
                   -1 :               0.00013231965508
                   +0 :              -0.00007852399430
                   +1 :              -0.00033231896038
                3d
                   -2 :              -0.00003254885032
                   -1 :               0.00000057889016
                   +0 :              -0.00004686524784
                   +1 :              -0.00001328577040
                   +2 :              -0.00001418286135
              5 vec=   -10.373550     -0.000599      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000351895171
                2s
                   +0 :              -0.00016611403962
                3s
                   +0 :               0.00000328819894
                2p
                   -1 :               0.00020636015818
                   +0 :               0.00026419936357
                   +1 :               0.00011241877332
                3p
                   -1 :              -0.00017944388931
                   +0 :              -0.00024879838257
                   +1 :              -0.00011513733186
                3d
                   -2 :               0.00000464465341
                   -1 :              -0.00001677439268
                   +0 :              -0.00002817511934
                   +1 :               0.00000688661724
                   +2 :               0.00002151769090
              6 vec=     5.186775     -8.984357      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00004754582350
                2s
                   +0 :               0.00052596751251
                3s
                   +0 :              -0.00003249945525
                2p
                   -1 :              -0.00027860567818
                   +0 :              -0.00005510199947
                   +1 :               0.00028587999176
                3p
                   -1 :              -0.00003763898243
                   +0 :               0.00005320060457
                   +1 :              -0.00022561319673
                3d
                   -2 :              -0.00002687580450
                   -1 :              -0.00002562223757
                   +0 :               0.00002731824555
                   +1 :               0.00001386612622
                   +2 :              -0.00002836861252
              7 vec=    -2.593388     13.475038      8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00000243598684
                2s
                   +0 :              -0.00005439506548
                3s
                   +0 :               0.00001041850414
                2p
                   -1 :              -0.00005252304260
                   +0 :               0.00003404418069
                   +1 :              -0.00005016809928
                3p
                   -1 :               0.00003920404249
                   +0 :              -0.00008154141490
                   +1 :               0.00005017119421
                3d
                   -2 :               0.00000854743941
                   -1 :              -0.00000894614891
                   +0 :              -0.00000639268974
                   +1 :               0.00000788537397
                   +2 :              -0.00001180857794
              8 vec=   -10.373550      8.983159      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00000657718139
                2s
                   +0 :              -0.00000284535325
                3s
                   +0 :              -0.00004015564155
                2p
                   -1 :               0.00019496077125
                   +0 :              -0.00013863106047
                   +1 :              -0.00000924330191
                3p
                   -1 :              -0.00021409845328
                   +0 :               0.00008623641518
                   +1 :               0.00005580700778
                3d
                   -2 :               0.00000231748700
                   -1 :               0.00001188939939
                   +0 :               0.00000851596644
                   +1 :               0.00000250794204
                   +2 :               0.00001722183292
              9 vec=    12.966938      4.491280      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00004527339985
                2s
                   +0 :               0.00028822333952
                3s
                   +0 :              -0.00013742451912
                2p
                   -1 :               0.00015588559273
                   +0 :               0.00013546886948
                   +1 :               0.00012346342592
                3p
                   -1 :              -0.00010446470047
                   +0 :              -0.00009366305207
                   +1 :              -0.00006634831773
                3d
                   -2 :               0.00000755557440
                   -1 :              -0.00000495480367
                   +0 :              -0.00000089162980
                   +1 :              -0.00000350527576
                   +2 :              -0.00002035872921
             10 vec=    12.966938     -4.492478      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00002624047446
                2s
                   +0 :               0.00017238224694
                3s
                   +0 :              -0.00003226518805
                2p
                   -1 :              -0.00032516575849
                   +0 :               0.00008968362781
                   +1 :               0.00012752127159
                3p
                   -1 :               0.00021458713978
                   +0 :              -0.00001638335462
                   +1 :              -0.00006938559809
                3d
                   -2 :               0.00000777004778
                   -1 :               0.00000801397102
                   +0 :               0.00000483658329
                   +1 :              -0.00000127630363
                   +2 :              -0.00000030940329
             11 vec=   -10.373550     -8.984357      8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00001396230421
                2s
                   +0 :              -0.00012640912928
                3s
                   +0 :               0.00002603578316
                2p
                   -1 :               0.00023537896795
                   +0 :              -0.00017552062023
                   +1 :               0.00000359349782
                3p
                   -1 :              -0.00018148224954
                   +0 :               0.00010662400914
                   +1 :               0.00003207784124
                3d
                   -2 :               0.00000088438643
                   -1 :              -0.00000067315945
                   +0 :              -0.00000249597617
                   +1 :               0.00000522302282
                   +2 :              -0.00000766079869
             12 vec=    -2.593388    -13.476236      8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00002533717677
                2s
                   +0 :              -0.00015014519047
                3s
                   +0 :               0.00007318396294
                2p
                   -1 :              -0.00007412216964
                   +0 :              -0.00013436675289
                   +1 :              -0.00012419723058
                3p
                   -1 :               0.00008623587003
                   +0 :               0.00007566642330
                   +1 :               0.00010994433917
                3d
                   -2 :              -0.00000664939881
                   -1 :              -0.00000500404969
                   +0 :               0.00000501934307
                   +1 :               0.00001033278130
                   +2 :               0.00000350618380
             13 vec=    -2.593388      4.491280    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000297700211
                2s
                   +0 :              -0.00009714416401
                3s
                   +0 :              -0.00001489432600
                2p
                   -1 :              -0.00001405091218
                   +0 :               0.00005500417704
                   +1 :              -0.00008488326483
                3p
                   -1 :              -0.00000140486803
                   +0 :               0.00004692530409
                   +1 :               0.00006205049543
                3d
                   -2 :               0.00000062226955
                   -1 :               0.00000322019212
                   +0 :              -0.00000203567479
                   +1 :              -0.00000072759461
                   +2 :              -0.00000091763179
             14 vec=     5.186775     -0.000599    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000942011415
                2s
                   +0 :               0.00008068842006
                3s
                   +0 :              -0.00002244990671
                2p
                   -1 :              -0.00002718741933
                   +0 :              -0.00001181878326
                   +1 :              -0.00000033290644
                3p
                   -1 :               0.00000191262633
                   +0 :              -0.00000950666651
                   +1 :              -0.00002262085642
                3d
                   -2 :              -0.00000311952126
                   -1 :               0.00000246740445
                   +0 :               0.00000161787415
                   +1 :               0.00000104611097
                   +2 :               0.00000294103430
             15 vec=    -2.593388     -4.492478    -16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00002348707229
                2s
                   +0 :               0.00019211140478
                3s
                   +0 :              -0.00006515455572
                2p
                   -1 :               0.00008044366605
                   +0 :              -0.00012942388368
                   +1 :              -0.00010261370613
                3p
                   -1 :              -0.00005494104405
                   +0 :               0.00006395519753
                   +1 :               0.00005208348751
                3d
                   -2 :              -0.00000106933586
                   -1 :               0.00000262358940
                   +0 :               0.00000756715441
                   +1 :               0.00000270274804
                   +2 :               0.00000634149886
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 28)  npairs=  14
              1 vec=     2.802674     -1.376461     -4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00275824790635
                2s
                   +0 :               0.04481678139530
                3s
                   +0 :              -0.00504657047404
                2p
                   -1 :              -0.00863748986935
                   +0 :              -0.02055840390839
                   +1 :               0.00902892775944
                3p
                   -1 :              -0.00038254349913
                   +0 :              -0.00184835471611
                   +1 :               0.00115400922754
                3d
                   -2 :              -0.00060737589173
                   -1 :               0.00205209783832
                   +0 :               0.00163234579012
                   +1 :              -0.00098664555112
                   +2 :              -0.00010187284215
              2 vec=    -4.977489      3.115418     -4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00114386314830
                2s
                   +0 :              -0.00916707125354
                3s
                   +0 :               0.00493312237533
                2p
                   -1 :              -0.00473496739468
                   +0 :               0.01093351414084
                   +1 :               0.01004372768771
                3p
                   -1 :               0.00393683750270
                   +0 :              -0.00754846475815
                   +1 :              -0.00758873055242
                3d
                   -2 :              -0.00035957506084
                   -1 :              -0.00050525270419
                   +0 :               0.00045642068342
                   +1 :               0.00106455474965
                   +2 :               0.00020199254864
              3 vec=    -4.977489     -5.868340     -4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00008230876949
                2s
                   +0 :               0.00059383666372
                3s
                   +0 :              -0.00044901950316
                2p
                   -1 :               0.00207468451501
                   +0 :               0.00189277970057
                   +1 :               0.00014894063547
                3p
                   -1 :              -0.00172608155914
                   +0 :              -0.00058152860934
                   +1 :               0.00036850090752
                3d
                   -2 :               0.00019957397333
                   -1 :               0.00009598291124
                   +0 :              -0.00003710240721
                   +1 :               0.00005441581050
                   +2 :              -0.00006466350650
              4 vec=     2.802674      7.607297     -4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00034095039607
                2s
                   +0 :               0.00199803938426
                3s
                   +0 :              -0.00083831058845
                2p
                   -1 :              -0.00069730960884
                   +0 :              -0.00171304244011
                   +1 :              -0.00057045529278
                3p
                   -1 :               0.00060893406688
                   +0 :               0.00019617932841
                   +1 :               0.00008886742348
                3d
                   -2 :               0.00008417468463
                   -1 :              -0.00026186400022
                   +0 :              -0.00001413380606
                   +1 :              -0.00003294589760
                   +2 :              -0.00013616023848
              5 vec=     2.802674    -10.360219     -4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00005588555648
                2s
                   +0 :               0.00040535737558
                3s
                   +0 :               0.00004930879507
                2p
                   -1 :              -0.00037230904127
                   +0 :               0.00041836840855
                   +1 :              -0.00062565248116
                3p
                   -1 :              -0.00020749468894
                   +0 :              -0.00055117542046
                   +1 :               0.00050987724902
                3d
                   -2 :              -0.00003648684294
                   -1 :               0.00006660493192
                   +0 :              -0.00007872297277
                   +1 :               0.00002510551794
                   +2 :              -0.00004924136456
              6 vec=    10.582837      3.115418     -4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00002190473237
                2s
                   +0 :               0.00030707392549
                3s
                   +0 :               0.00003444355314
                2p
                   -1 :               0.00024152238346
                   +0 :              -0.00059276796124
                   +1 :               0.00076465674237
                3p
                   -1 :              -0.00008203299660
                   +0 :               0.00047347135658
                   +1 :              -0.00051562916154
                3d
                   -2 :               0.00001072940139
                   -1 :              -0.00001354363538
                   +0 :              -0.00007543839315
                   +1 :               0.00002924806287
                   +2 :               0.00003485178220
              7 vec=    10.582837     -5.868340     -4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00003379925950
                2s
                   +0 :               0.00047056647187
                3s
                   +0 :              -0.00007432010509
                2p
                   -1 :               0.00013812898475
                   +0 :               0.00016541061808
                   +1 :              -0.00028518928341
                3p
                   -1 :              -0.00018135237934
                   +0 :              -0.00020572722495
                   +1 :               0.00028381481762
                3d
                   -2 :              -0.00001672701115
                   -1 :               0.00000074817026
                   +0 :               0.00000238302997
                   +1 :              -0.00001272154357
                   +2 :               0.00000353967885
              8 vec=   -12.757651     -1.376461     -4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00001656762667
                2s
                   +0 :              -0.00044857279883
                3s
                   +0 :              -0.00009365686788
                2p
                   -1 :              -0.00020186466291
                   +0 :               0.00009274031785
                   +1 :              -0.00018440538244
                3p
                   -1 :               0.00032244818888
                   +0 :               0.00024734031616
                   +1 :               0.00024722369815
                3d
                   -2 :              -0.00004378875260
                   -1 :              -0.00002842403674
                   +0 :              -0.00004183337799
                   +1 :              -0.00002426028089
                   +2 :              -0.00000494985183
              9 vec=    -4.977489     12.099176     -4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00014236335306
                2s
                   +0 :               0.00075677419595
                3s
                   +0 :              -0.00044608041532
                2p
                   -1 :              -0.00019271213027
                   +0 :              -0.00017188641765
                   +1 :              -0.00000744355668
                3p
                   -1 :               0.00022347713129
                   +0 :               0.00013269716154
                   +1 :              -0.00006182579396
                3d
                   -2 :               0.00000832814165
                   -1 :              -0.00001573913807
                   +0 :              -0.00000947413970
                   +1 :              -0.00000082597826
                   +2 :              -0.00002509166219
             10 vec=   -12.757651      7.607297     -4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00000362782502
                2s
                   +0 :              -0.00000298317975
                3s
                   +0 :              -0.00009077678024
                2p
                   -1 :              -0.00010131421419
                   +0 :               0.00013849830190
                   +1 :              -0.00013087537148
                3p
                   -1 :               0.00002392073865
                   +0 :              -0.00007304111427
                   +1 :               0.00016392782957
                3d
                   -2 :              -0.00000025563713
                   -1 :              -0.00000754106371
                   +0 :              -0.00001289738585
                   +1 :               0.00000556209511
                   +2 :              -0.00001522997720
             11 vec=    -4.977489    -14.852098     -4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00003054312706
                2s
                   +0 :              -0.00018558951535
                3s
                   +0 :               0.00008481138275
                2p
                   -1 :               0.00032505620795
                   +0 :              -0.00016896519850
                   +1 :              -0.00000606351205
                3p
                   -1 :              -0.00022393786725
                   +0 :               0.00014127426126
                   +1 :              -0.00002710501016
                3d
                   -2 :               0.00000721409105
                   -1 :              -0.00000639924032
                   +0 :              -0.00000499326160
                   +1 :              -0.00000524935665
                   +2 :              -0.00001591557649
             12 vec=    10.582837     12.099176     -4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00001112257951
                2s
                   +0 :               0.00011847863352
                3s
                   +0 :              -0.00003865934336
                2p
                   -1 :              -0.00000891838253
                   +0 :              -0.00000044831695
                   +1 :              -0.00005519123996
                3p
                   -1 :               0.00007104046428
                   +0 :              -0.00001547538298
                   +1 :               0.00006958875330
                3d
                   -2 :               0.00000597028265
                   -1 :               0.00000577103633
                   +0 :              -0.00000531060497
                   +1 :               0.00000853559852
                   +2 :              -0.00001217295255
             13 vec=   -12.757651    -10.360219     -4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00001349234380
                2s
                   +0 :              -0.00007962283910
                3s
                   +0 :               0.00001478593254
                2p
                   -1 :               0.00000320780603
                   +0 :              -0.00002596103052
                   +1 :              -0.00002685268355
                3p
                   -1 :               0.00003625707161
                   +0 :               0.00003867430239
                   +1 :               0.00006139623039
                3d
                   -2 :              -0.00001181456694
                   -1 :              -0.00000219951723
                   +0 :              -0.00000215121631
                   +1 :               0.00000243394426
                   +2 :               0.00000734530447
             14 vec=     2.802674     16.591055     -4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000876488550
                2s
                   +0 :              -0.00005847968891
                3s
                   +0 :               0.00002658354364
                2p
                   -1 :              -0.00003366039627
                   +0 :               0.00001703198259
                   +1 :              -0.00000012035493
                3p
                   -1 :               0.00004316876509
                   +0 :               0.00001983623492
                   +1 :               0.00001070703205
                3d
                   -2 :              -0.00000261156393
                   -1 :               0.00000078222729
                   +0 :              -0.00000531977017
                   +1 :              -0.00000133208887
                   +2 :               0.00000076018058
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 29)  npairs=  14
              1 vec=    -0.209286      3.115418     -4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00159124186174
                2s
                   +0 :               0.00621490614291
                3s
                   +0 :              -0.00490335001739
                2p
                   -1 :               0.00835649799375
                   +0 :               0.00066662189964
                   +1 :              -0.00438105107712
                3p
                   -1 :              -0.00750374364125
                   +0 :               0.00154983096966
                   +1 :              -0.00367056760508
                3d
                   -2 :              -0.00087126970381
                   -1 :               0.00071901409543
                   +0 :              -0.00047363851346
                   +1 :               0.00166443410655
                   +2 :               0.00024254827094
              2 vec=    -0.209286     -5.868340     -4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00053727906633
                2s
                   +0 :               0.00408417551574
                3s
                   +0 :              -0.00173435652046
                2p
                   -1 :              -0.00215897822882
                   +0 :              -0.00104468305309
                   +1 :               0.00557301839026
                3p
                   -1 :               0.00112705415207
                   +0 :               0.00081906633234
                   +1 :              -0.00567428063400
                3d
                   -2 :               0.00010863352966
                   -1 :               0.00001353686774
                   +0 :               0.00001004804607
                   +1 :              -0.00002713889498
                   +2 :               0.00012446422057
              3 vec=     7.570876     -1.376461     -4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00010275533360
                2s
                   +0 :              -0.00129388062107
                3s
                   +0 :               0.00062017544296
                2p
                   -1 :               0.00052932538395
                   +0 :              -0.00001232826963
                   +1 :               0.00209025443729
                3p
                   -1 :              -0.00062088518286
                   +0 :              -0.00013827097983
                   +1 :              -0.00117873434664
                3d
                   -2 :              -0.00003499985482
                   -1 :              -0.00002029454540
                   +0 :               0.00000644482752
                   +1 :              -0.00003617379762
                   +2 :              -0.00013434872019
              4 vec=    -7.989449     -1.376461     -4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00022654510283
                2s
                   +0 :              -0.00106358597620
                3s
                   +0 :               0.00040562586093
                2p
                   -1 :               0.00146547043450
                   +0 :               0.00365538404992
                   +1 :              -0.00050057521944
                3p
                   -1 :              -0.00061847041557
                   +0 :              -0.00217267010323
                   +1 :               0.00063298031454
                3d
                   -2 :               0.00003505676729
                   -1 :               0.00006981458673
                   +0 :              -0.00001339334888
                   +1 :               0.00002615473349
                   +2 :               0.00001939780930
              5 vec=     7.570876      7.607297     -4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00000682360689
                2s
                   +0 :               0.00037307021626
                3s
                   +0 :              -0.00006639153220
                2p
                   -1 :               0.00063440654777
                   +0 :               0.00003497170105
                   +1 :               0.00049364771511
                3p
                   -1 :              -0.00026865801416
                   +0 :              -0.00018225287260
                   +1 :              -0.00044562983662
                3d
                   -2 :              -0.00002037506788
                   -1 :              -0.00010968282682
                   +0 :               0.00005865870781
                   +1 :              -0.00000289903527
                   +2 :              -0.00005086703698
              6 vec=    -7.989449      7.607297     -4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00001056285225
                2s
                   +0 :              -0.00027728051110
                3s
                   +0 :               0.00005076325424
                2p
                   -1 :               0.00065364181690
                   +0 :               0.00103096754971
                   +1 :               0.00011069440570
                3p
                   -1 :              -0.00064241267292
                   +0 :              -0.00077138276137
                   +1 :              -0.00018095765741
                3d
                   -2 :               0.00005730532726
                   -1 :              -0.00004535489715
                   +0 :              -0.00010278803940
                   +1 :               0.00004691924652
                   +2 :               0.00003447464733
              7 vec=    -0.209286     12.099176     -4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00000562590175
                2s
                   +0 :               0.00000171801163
                3s
                   +0 :               0.00005376189307
                2p
                   -1 :               0.00008221796558
                   +0 :              -0.00055683785507
                   +1 :               0.00031724012604
                3p
                   -1 :              -0.00002248600872
                   +0 :               0.00039358713948
                   +1 :              -0.00016403431212
                3d
                   -2 :               0.00001255312009
                   -1 :               0.00000875949540
                   +0 :              -0.00001234180023
                   +1 :              -0.00001811979777
                   +2 :              -0.00003765331558
              8 vec=     7.570876    -10.360219     -4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00007344609553
                2s
                   +0 :               0.00083291043943
                3s
                   +0 :              -0.00011229735614
                2p
                   -1 :              -0.00021639957618
                   +0 :              -0.00041241531541
                   +1 :               0.00020420490493
                3p
                   -1 :               0.00005929388821
                   +0 :               0.00011361755025
                   +1 :              -0.00003076501348
                3d
                   -2 :              -0.00003935117480
                   -1 :              -0.00000021660774
                   +0 :               0.00003758710315
                   +1 :               0.00002066790456
                   +2 :               0.00000829991261
              9 vec=    -7.989449    -10.360219     -4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00003592949059
                2s
                   +0 :              -0.00006125706292
                3s
                   +0 :              -0.00016805349855
                2p
                   -1 :              -0.00027779630237
                   +0 :               0.00004395873955
                   +1 :              -0.00018355645262
                3p
                   -1 :               0.00033080351730
                   +0 :               0.00012388484728
                   +1 :               0.00025294294694
                3d
                   -2 :              -0.00002583373650
                   -1 :              -0.00000178774448
                   +0 :              -0.00001303444855
                   +1 :              -0.00000896615131
                   +2 :               0.00000881015304
             10 vec=    -0.209286    -14.852098     -4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00000349178164
                2s
                   +0 :              -0.00001031130334
                3s
                   +0 :              -0.00000419763699
                2p
                   -1 :               0.00010665847720
                   +0 :               0.00003191758796
                   +1 :              -0.00003332403310
                3p
                   -1 :              -0.00008039997786
                   +0 :              -0.00004455995792
                   +1 :              -0.00002030619028
                3d
                   -2 :               0.00000162116630
                   -1 :               0.00000258377815
                   +0 :              -0.00000845816432
                   +1 :              -0.00000904157703
                   +2 :              -0.00000963223128
             11 vec=    15.351039      3.115418     -4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00000805254541
                2s
                   +0 :               0.00004382704706
                3s
                   +0 :               0.00002659148429
                2p
                   -1 :               0.00001615184862
                   +0 :              -0.00008302924446
                   +1 :               0.00009909408042
                3p
                   -1 :               0.00001987931495
                   +0 :               0.00002675612733
                   +1 :               0.00001390281730
                3d
                   -2 :              -0.00000252661373
                   -1 :              -0.00000414906801
                   +0 :              -0.00001339620138
                   +1 :               0.00001013760246
                   +2 :               0.00000064258811
             12 vec=   -15.769612      3.115418     -4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00004263293998
                2s
                   +0 :              -0.00029021253029
                3s
                   +0 :               0.00009045880195
                2p
                   -1 :              -0.00008618329267
                   +0 :              -0.00015487575029
                   +1 :               0.00016051965134
                3p
                   -1 :               0.00003767574608
                   +0 :               0.00021187907557
                   +1 :              -0.00000630177233
                3d
                   -2 :               0.00000710834242
                   -1 :               0.00001230319318
                   +0 :               0.00000558097694
                   +1 :              -0.00001111382162
                   +2 :               0.00000204181945
             13 vec=    15.351039     -5.868340     -4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00002699804529
                2s
                   +0 :               0.00018819422074
                3s
                   +0 :              -0.00006405109838
                2p
                   -1 :               0.00001776553843
                   +0 :              -0.00004710748994
                   +1 :               0.00014669481865
                3p
                   -1 :              -0.00003876350931
                   +0 :               0.00001481577503
                   +1 :              -0.00008002338091
                3d
                   -2 :              -0.00000862430688
                   -1 :               0.00000120751584
                   +0 :               0.00000899399807
                   +1 :               0.00000365083187
                   +2 :               0.00000341919665
             14 vec=   -15.769612     -5.868340     -4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00002315788848
                2s
                   +0 :              -0.00015591708739
                3s
                   +0 :               0.00005543689429
                2p
                   -1 :              -0.00009281730115
                   +0 :              -0.00000521402255
                   +1 :              -0.00000565825277
                3p
                   -1 :               0.00008682975443
                   +0 :               0.00003427315689
                   +1 :               0.00006815414529
                3d
                   -2 :               0.00000131652291
                   -1 :              -0.00000118620578
                   +0 :              -0.00000422046489
                   +1 :              -0.00000096169709
                   +2 :              -0.00001132047110
WF             site_B          number of pairs
WF( 32)=[O_9_2px]  to site O ( 30)  npairs=  14
              1 vec=    -2.593388     -1.013967     -4.091257   |vec|=    4.948957
                1s
                   +0 :               0.00177924243121
                2s
                   +0 :              -0.04922103945718
                3s
                   +0 :               0.00377283102737
                2p
                   -1 :               0.00629840144252
                   +0 :               0.03278116366080
                   +1 :               0.00866499704460
                3p
                   -1 :               0.00237155903216
                   +0 :              -0.00410158440754
                   +1 :              -0.00358305586497
                3d
                   -2 :              -0.00081634787176
                   -1 :              -0.00124765160514
                   +0 :              -0.00181789322182
                   +1 :               0.00004484856883
                   +2 :               0.00010082305118
              2 vec=     5.186775      3.477912     -4.091257   |vec|=    7.465715
                1s
                   +0 :              -0.00010166195486
                2s
                   +0 :               0.00099924061511
                3s
                   +0 :              -0.00051138953171
                2p
                   -1 :               0.00024126345225
                   +0 :               0.00248050283087
                   +1 :               0.00471384953297
                3p
                   -1 :               0.00109039732102
                   +0 :              -0.00351793172925
                   +1 :              -0.00296296930686
                3d
                   -2 :              -0.00028448554563
                   -1 :               0.00023471135065
                   +0 :               0.00034998070173
                   +1 :               0.00021624875168
                   +2 :              -0.00010667512133
              3 vec=     5.186775     -5.505846     -4.091257   |vec|=    8.599730
                1s
                   +0 :              -0.00002689476380
                2s
                   +0 :              -0.00054149957516
                3s
                   +0 :               0.00053535037979
                2p
                   -1 :              -0.00099291964661
                   +0 :               0.00433816930034
                   +1 :               0.00018665779859
                3p
                   -1 :               0.00015753581260
                   +0 :              -0.00319111376711
                   +1 :               0.00019849007767
                3d
                   -2 :              -0.00001549111098
                   -1 :               0.00016108341210
                   +0 :               0.00006620544524
                   +1 :              -0.00011057614558
                   +2 :               0.00002548692368
              4 vec=    -2.593388      7.969791     -4.091257   |vec|=    9.326393
                1s
                   +0 :               0.00046345311201
                2s
                   +0 :              -0.00271136961546
                3s
                   +0 :               0.00122590837600
                2p
                   -1 :              -0.00230986898363
                   +0 :               0.00081472825173
                   +1 :              -0.00118964209486
                3p
                   -1 :               0.00195342010587
                   +0 :               0.00047395455557
                   +1 :               0.00091884958912
                3d
                   -2 :              -0.00002685620114
                   -1 :               0.00000733815218
                   +0 :              -0.00015957061239
                   +1 :               0.00004684498031
                   +2 :              -0.00020534477753
              5 vec=    -2.593388     -9.997725     -4.091257   |vec|=   11.109390
                1s
                   +0 :              -0.00014326028614
                2s
                   +0 :               0.00075631278232
                3s
                   +0 :              -0.00052001521315
                2p
                   -1 :              -0.00108419067085
                   +0 :               0.00024175724377
                   +1 :              -0.00048757631239
                3p
                   -1 :               0.00122556240069
                   +0 :               0.00004990662653
                   +1 :               0.00024331641444
                3d
                   -2 :              -0.00002802988532
                   -1 :               0.00000962405611
                   +0 :               0.00010099282147
                   +1 :               0.00001684476025
                   +2 :               0.00010063511157
              6 vec=   -10.373550      3.477912     -4.091257   |vec|=   11.680959
                1s
                   +0 :              -0.00008242651448
                2s
                   +0 :               0.00019126666496
                3s
                   +0 :              -0.00019591231886
                2p
                   -1 :               0.00072971062615
                   +0 :              -0.00033090345569
                   +1 :              -0.00004154528316
                3p
                   -1 :              -0.00086804135230
                   +0 :               0.00031277389121
                   +1 :               0.00020765005323
                3d
                   -2 :               0.00006001642138
                   -1 :              -0.00006218222300
                   +0 :               0.00010133186641
                   +1 :              -0.00001074020716
                   +2 :              -0.00008387574193
              7 vec=   -10.373550     -5.505846     -4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00002342804211
                2s
                   +0 :              -0.00053120346639
                3s
                   +0 :               0.00006017045677
                2p
                   -1 :               0.00071617210855
                   +0 :               0.00038735309775
                   +1 :               0.00064478992825
                3p
                   -1 :              -0.00061315834286
                   +0 :              -0.00046585221681
                   +1 :              -0.00044830349832
                3d
                   -2 :               0.00001905075820
                   -1 :               0.00003659068245
                   +0 :               0.00001725970558
                   +1 :               0.00007409488420
                   +2 :              -0.00001667955063
              8 vec=    12.966938     -1.013967     -4.091257   |vec|=   13.634808
                1s
                   +0 :               0.00001142150213
                2s
                   +0 :               0.00043460870289
                3s
                   +0 :               0.00016660844952
                2p
                   -1 :               0.00006391817427
                   +0 :              -0.00050778675168
                   +1 :               0.00001186342701
                3p
                   -1 :              -0.00020828690392
                   +0 :              -0.00002885194175
                   +1 :               0.00025090924626
                3d
                   -2 :              -0.00000833248904
                   -1 :               0.00002075817467
                   +0 :               0.00000095046902
                   +1 :              -0.00001985555124
                   +2 :               0.00001961799073
              9 vec=     5.186775     12.461670     -4.091257   |vec|=   14.104405
                1s
                   +0 :              -0.00001829750496
                2s
                   +0 :               0.00019051060741
                3s
                   +0 :              -0.00005186467812
                2p
                   -1 :               0.00030964392777
                   +0 :              -0.00016316131306
                   +1 :              -0.00013929531270
                3p
                   -1 :              -0.00027022960203
                   +0 :               0.00005621721799
                   +1 :               0.00003579645109
                3d
                   -2 :              -0.00002129503510
                   -1 :               0.00001246868051
                   +0 :               0.00001078781195
                   +1 :              -0.00000268000748
                   +2 :               0.00002428598175
             10 vec=    12.966938      7.969791     -4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000124152366
                2s
                   +0 :               0.00004281573196
                3s
                   +0 :               0.00000865622311
                2p
                   -1 :              -0.00003313337268
                   +0 :              -0.00000372991552
                   +1 :               0.00009898287938
                3p
                   -1 :               0.00006740797939
                   +0 :              -0.00005048810729
                   +1 :              -0.00007125163533
                3d
                   -2 :               0.00000773109578
                   -1 :              -0.00000200908909
                   +0 :               0.00000168133774
                   +1 :               0.00000635638647
                   +2 :              -0.00000424780728
             11 vec=     5.186775    -14.489604     -4.091257   |vec|=   15.924498
                1s
                   +0 :              -0.00002623393417
                2s
                   +0 :               0.00022118223598
                3s
                   +0 :              -0.00008876183300
                2p
                   -1 :              -0.00031170423357
                   +0 :               0.00005199342068
                   +1 :              -0.00001912774136
                3p
                   -1 :               0.00018522596307
                   +0 :              -0.00003803048816
                   +1 :               0.00002054491473
                3d
                   -2 :              -0.00000526294317
                   -1 :               0.00000972759492
                   +0 :              -0.00000674269570
                   +1 :              -0.00000441697952
                   +2 :               0.00001251138698
             12 vec=   -10.373550     12.461670     -4.091257   |vec|=   16.722504
                1s
                   +0 :              -0.00000029495827
                2s
                   +0 :              -0.00001714555778
                3s
                   +0 :              -0.00000339375638
                2p
                   -1 :              -0.00033992376855
                   +0 :               0.00005202803391
                   +1 :              -0.00004750958165
                3p
                   -1 :               0.00029160528931
                   +0 :              -0.00002248495678
                   +1 :               0.00003699450031
                3d
                   -2 :              -0.00001379374918
                   -1 :              -0.00000776225980
                   +0 :              -0.00000796097406
                   +1 :               0.00000178692439
                   +2 :              -0.00001130278629
             13 vec=    12.966938     -9.997725     -4.091257   |vec|=   16.877036
                1s
                   +0 :              -0.00002371133215
                2s
                   +0 :               0.00017087319516
                3s
                   +0 :              -0.00007184834758
                2p
                   -1 :              -0.00022295375950
                   +0 :              -0.00004200811401
                   +1 :               0.00005040332408
                3p
                   -1 :               0.00016402030671
                   +0 :               0.00000944727993
                   +1 :              -0.00000629067937
                3d
                   -2 :               0.00000230585360
                   -1 :               0.00000213405178
                   +0 :               0.00000140440201
                   +1 :              -0.00000118106382
                   +2 :               0.00000979238214
             14 vec=    -2.593388     16.953549     -4.091257   |vec|=   17.631984
                1s
                   +0 :              -0.00000523712832
                2s
                   +0 :               0.00004887187613
                3s
                   +0 :              -0.00001863879200
                2p
                   -1 :               0.00010725014268
                   +0 :              -0.00003291195216
                   +1 :               0.00004856340212
                3p
                   -1 :              -0.00009346169611
                   +0 :               0.00001815079416
                   +1 :              -0.00005221302401
                3d
                   -2 :              -0.00000573031156
                   -1 :               0.00000040049196
                   +0 :               0.00000486502057
                   +1 :              -0.00000093503271
                   +2 :               0.00000976326889
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al(  1)  npairs=  13
              1 vec=    -2.803193     -1.376162      6.601980   |vec|=    7.303276
                2s
                   +0 :              -0.00210858387359
                2p
                   -1 :               0.00036709352568
                   +0 :              -0.00054267350903
                   +1 :               0.00016756105477
                3s
                   +0 :               0.00665798729134
                4s
                   +0 :              -0.00161943682615
                3p
                   -1 :              -0.00246392324992
                   +0 :               0.00332199388154
                   +1 :               0.00286428735531
                4p
                   -1 :               0.00007253391376
                   +0 :              -0.00011117239205
                   +1 :              -0.00077824169635
                3d
                   -2 :               0.00046027788343
                   -1 :              -0.00189542008829
                   +0 :               0.00065584819308
                   +1 :              -0.00002373407678
                   +2 :              -0.00068985764549
              2 vec=     4.976970      3.115717      6.601980   |vec|=    8.835387
                2s
                   +0 :              -0.00176440832258
                2p
                   -1 :              -0.00069653220809
                   +0 :              -0.00013578375675
                   +1 :               0.00018009780568
                3s
                   +0 :               0.01407701330452
                4s
                   +0 :              -0.00318369846269
                3p
                   -1 :               0.00739315520410
                   +0 :               0.00564676677733
                   +1 :               0.00301935419293
                4p
                   -1 :              -0.00184257144179
                   +0 :              -0.00069468761835
                   +1 :               0.00003810482003
                3d
                   -2 :               0.00216892464164
                   -1 :               0.00173306457813
                   +0 :              -0.00013820499124
                   +1 :               0.00109978914952
                   +2 :              -0.00024391231072
              3 vec=     4.976970     -5.868041      6.601980   |vec|=   10.138554
                2s
                   +0 :              -0.00068434157138
                2p
                   -1 :               0.00011418371643
                   +0 :              -0.00067684521010
                   +1 :               0.00023093200448
                3s
                   +0 :               0.00164070791662
                4s
                   +0 :              -0.00041451382967
                3p
                   -1 :              -0.00039786654563
                   +0 :               0.00365761915380
                   +1 :              -0.00195504218853
                4p
                   -1 :              -0.00019939818408
                   +0 :              -0.00073580970724
                   +1 :               0.00044382828465
                3d
                   -2 :               0.00017255086518
                   -1 :              -0.00061197057749
                   +0 :               0.00041549161431
                   +1 :               0.00005435820052
                   +2 :              -0.00010021535869
              4 vec=    -2.803193      7.607596      6.601980   |vec|=   10.455599
                2s
                   +0 :              -0.00158530587304
                2p
                   -1 :              -0.00035748470704
                   +0 :              -0.00039340854791
                   +1 :               0.00046504294335
                3s
                   +0 :               0.00573239934412
                4s
                   +0 :              -0.00166658725926
                3p
                   -1 :               0.00213439377566
                   +0 :               0.00276449264115
                   +1 :              -0.00292097705768
                4p
                   -1 :              -0.00051526640737
                   +0 :              -0.00052823029060
                   +1 :               0.00062906428102
                3d
                   -2 :              -0.00058683251089
                   -1 :               0.00021722876990
                   +0 :              -0.00023648506047
                   +1 :              -0.00091317954701
                   +2 :               0.00017085020450
              5 vec=    -2.803193    -10.359920      6.601980   |vec|=   12.600475
                2s
                   +0 :              -0.00051118230767
                2p
                   -1 :               0.00036074814540
                   +0 :              -0.00028842064207
                   +1 :              -0.00000893371089
                3s
                   +0 :               0.00129525071586
                4s
                   +0 :              -0.00061570862218
                3p
                   -1 :              -0.00144964950507
                   +0 :               0.00119468871322
                   +1 :               0.00004355816940
                4p
                   -1 :               0.00041445404088
                   +0 :              -0.00039653165541
                   +1 :              -0.00007448217900
                3d
                   -2 :               0.00006112727926
                   -1 :              -0.00031905527604
                   +0 :               0.00012900767532
                   +1 :               0.00000386495743
                   +2 :               0.00000192165083
              6 vec=   -10.583355      3.115717      6.601980   |vec|=   12.856953
                2s
                   +0 :              -0.00012542071306
                2p
                   -1 :               0.00002615556063
                   +0 :              -0.00018875353975
                   +1 :               0.00006577925294
                3s
                   +0 :               0.00035443755947
                4s
                   +0 :              -0.00022731854279
                3p
                   -1 :              -0.00013480334548
                   +0 :               0.00093396606778
                   +1 :              -0.00037701772546
                4p
                   -1 :               0.00011656341842
                   +0 :              -0.00025805004103
                   +1 :               0.00005855133766
                3d
                   -2 :              -0.00000940553394
                   -1 :               0.00016122363461
                   +0 :               0.00029863465357
                   +1 :              -0.00023416148232
                   +2 :               0.00003544091188
              7 vec=   -10.583355     -5.868041      6.601980   |vec|=   13.785044
                2s
                   +0 :               0.00026407443941
                2p
                   -1 :               0.00012515915090
                   +0 :               0.00026785911405
                   +1 :              -0.00006645465682
                3s
                   +0 :              -0.00057395092142
                4s
                   +0 :               0.00002258120175
                3p
                   -1 :              -0.00066643733186
                   +0 :              -0.00181649793731
                   +1 :               0.00006793862355
                4p
                   -1 :               0.00018296192958
                   +0 :               0.00031657154129
                   +1 :               0.00006928926810
                3d
                   -2 :               0.00027965595975
                   -1 :               0.00006356942260
                   +0 :               0.00014976487923
                   +1 :              -0.00002173710774
                   +2 :               0.00008062865478
              8 vec=    12.757133     -1.376162      6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00005362764004
                2p
                   -1 :              -0.00005041167383
                   +0 :               0.00005650019388
                   +1 :               0.00002143628743
                3s
                   +0 :              -0.00027236825132
                4s
                   +0 :               0.00013806079321
                3p
                   -1 :               0.00018991090221
                   +0 :              -0.00031087393976
                   +1 :              -0.00024050202386
                4p
                   -1 :              -0.00005221175971
                   +0 :               0.00006658838811
                   +1 :               0.00011423015969
                3d
                   -2 :               0.00005016488894
                   -1 :               0.00003831284604
                   +0 :              -0.00002369965345
                   +1 :               0.00000022671080
                   +2 :              -0.00010783004747
              9 vec=     4.976970     12.099475      6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00003514260713
                2p
                   -1 :               0.00002064612952
                   +0 :              -0.00004319340605
                   +1 :               0.00001201551270
                3s
                   +0 :               0.00042016886337
                4s
                   +0 :              -0.00023847594996
                3p
                   -1 :               0.00011171466405
                   +0 :               0.00036105639026
                   +1 :              -0.00017617276646
                4p
                   -1 :              -0.00009243767101
                   +0 :              -0.00013424951472
                   +1 :               0.00006543386925
                3d
                   -2 :              -0.00002624199572
                   -1 :              -0.00006054013756
                   +0 :               0.00003784646314
                   +1 :              -0.00003270583290
                   +2 :              -0.00002542077619
             10 vec=    12.757133      7.607596      6.601980   |vec|=   16.254417
                2s
                   +0 :              -0.00017669956410
                2p
                   -1 :              -0.00004074873587
                   +0 :              -0.00004487597121
                   +1 :              -0.00003083565450
                3s
                   +0 :               0.00072589478311
                4s
                   +0 :              -0.00020253785871
                3p
                   -1 :               0.00021316147411
                   +0 :               0.00029212352294
                   +1 :               0.00012860740648
                4p
                   -1 :              -0.00004192830117
                   +0 :              -0.00009131694633
                   +1 :               0.00000459650397
                3d
                   -2 :               0.00005028695526
                   -1 :               0.00004638357859
                   +0 :               0.00007924705395
                   +1 :               0.00005007414727
                   +2 :              -0.00006174527098
             11 vec=     4.976970    -14.851799      6.601980   |vec|=   16.998009
                2s
                   +0 :               0.00014792790737
                2p
                   -1 :              -0.00002906896210
                   +0 :               0.00003840011737
                   +1 :              -0.00002303671238
                3s
                   +0 :              -0.00082445180232
                4s
                   +0 :               0.00017949465551
                3p
                   -1 :               0.00024419088130
                   +0 :              -0.00038222084633
                   +1 :               0.00010560221872
                4p
                   -1 :              -0.00002053820830
                   +0 :               0.00006190297446
                   +1 :              -0.00000499994998
                3d
                   -2 :              -0.00003548568613
                   -1 :               0.00006620644685
                   +0 :              -0.00003681669750
                   +1 :               0.00001087788773
                   +2 :               0.00006189099641
             12 vec=   -10.583355     12.099475      6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00013932711822
                2p
                   -1 :               0.00003749178484
                   +0 :               0.00006327686663
                   +1 :              -0.00006419442976
                3s
                   +0 :              -0.00056411577005
                4s
                   +0 :               0.00015314102962
                3p
                   -1 :              -0.00019237933947
                   +0 :              -0.00033561030908
                   +1 :               0.00033657099777
                4p
                   -1 :               0.00004302195354
                   +0 :               0.00006640478329
                   +1 :              -0.00007514899097
                3d
                   -2 :               0.00001478761180
                   -1 :              -0.00004626675012
                   +0 :              -0.00002745028654
                   +1 :               0.00007878841370
                   +2 :              -0.00000321835701
             13 vec=    12.757133    -10.359920      6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00004679601661
                2p
                   -1 :              -0.00000052848498
                   +0 :               0.00000964653373
                   +1 :              -0.00002140044591
                3s
                   +0 :               0.00016890912355
                4s
                   +0 :              -0.00000381723947
                3p
                   -1 :              -0.00000447694226
                   +0 :              -0.00016941710738
                   +1 :               0.00006347354893
                4p
                   -1 :              -0.00001349974192
                   +0 :               0.00003437817726
                   +1 :               0.00002340709277
                3d
                   -2 :              -0.00000751334046
                   -1 :              -0.00001926579861
                   +0 :               0.00002856858711
                   +1 :               0.00001270544788
                   +2 :               0.00000040848120
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al(  2)  npairs=  15
              1 vec=    -2.803193     -1.376162    -10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00050700418264
                2p
                   -1 :               0.00002159117149
                   +0 :               0.00012165793799
                   +1 :              -0.00031318192544
                3s
                   +0 :               0.00178252046864
                4s
                   +0 :              -0.00034896695845
                3p
                   -1 :              -0.00108131896991
                   +0 :              -0.00050123548242
                   +1 :               0.00073056147864
                4p
                   -1 :               0.00002986172177
                   +0 :              -0.00004200268191
                   +1 :              -0.00027988229426
                3d
                   -2 :               0.00005943871597
                   -1 :               0.00028387954382
                   +0 :              -0.00029284147257
                   +1 :               0.00006304629179
                   +2 :               0.00028523270099
              2 vec=     4.976970      3.115717    -10.693237   |vec|=   12.199313
                2s
                   +0 :              -0.00044837689274
                2p
                   -1 :              -0.00036540387353
                   +0 :               0.00010178247275
                   +1 :               0.00003550193271
                3s
                   +0 :               0.00184638884555
                4s
                   +0 :              -0.00027706371170
                3p
                   -1 :               0.00180736986112
                   +0 :              -0.00027234901839
                   +1 :              -0.00025171393799
                4p
                   -1 :              -0.00033007938726
                   +0 :               0.00000694088127
                   +1 :               0.00010685329657
                3d
                   -2 :              -0.00011896353307
                   -1 :              -0.00034907493120
                   +0 :              -0.00036815245656
                   +1 :               0.00017909830830
                   +2 :              -0.00020705453296
              3 vec=     4.976970     -5.868041    -10.693237   |vec|=   13.173817
                2s
                   +0 :               0.00022937897337
                2p
                   -1 :               0.00001139322267
                   +0 :              -0.00002582501432
                   +1 :              -0.00008281558044
                3s
                   +0 :              -0.00199750249331
                4s
                   +0 :               0.00026878898341
                3p
                   -1 :               0.00050524663513
                   +0 :               0.00105855035754
                   +1 :              -0.00031276593551
                4p
                   -1 :              -0.00005055965548
                   +0 :              -0.00005346858241
                   +1 :              -0.00011311540841
                3d
                   -2 :               0.00015674832222
                   -1 :              -0.00020845194003
                   +0 :              -0.00005244018641
                   +1 :               0.00018264953408
                   +2 :              -0.00000922771630
              4 vec=    -2.803193      7.607596    -10.693237   |vec|=   13.419341
                2s
                   +0 :               0.00017013574940
                2p
                   -1 :              -0.00012595114884
                   +0 :              -0.00007742350921
                   +1 :              -0.00010674459807
                3s
                   +0 :               0.00040352524750
                4s
                   +0 :              -0.00012509165214
                3p
                   -1 :               0.00089816047056
                   +0 :              -0.00032628755823
                   +1 :               0.00038427669511
                4p
                   -1 :              -0.00014019382226
                   +0 :               0.00017280488280
                   +1 :               0.00000738372193
                3d
                   -2 :               0.00002909298300
                   -1 :              -0.00021914889177
                   +0 :               0.00028435285398
                   +1 :              -0.00027127881274
                   +2 :              -0.00009130312772
              5 vec=    -2.803193     -1.376162     13.854306   |vec|=   14.201883
                2s
                   +0 :               0.00000063756476
                2p
                   -1 :               0.00010055890306
                   +0 :               0.00004156849144
                   +1 :               0.00003272110845
                3s
                   +0 :              -0.00012386647243
                4s
                   +0 :               0.00004330725079
                3p
                   -1 :              -0.00045194582482
                   +0 :              -0.00025090288398
                   +1 :              -0.00003253997897
                4p
                   -1 :               0.00015941823745
                   +0 :               0.00008409819788
                   +1 :               0.00002885787969
                3d
                   -2 :              -0.00000475921786
                   -1 :               0.00007400967082
                   +0 :              -0.00001817606287
                   +1 :              -0.00003180471573
                   +2 :              -0.00003630971633
              6 vec=     4.976970      3.115717     13.854306   |vec|=   15.047249
                2s
                   +0 :               0.00006462105232
                2p
                   -1 :              -0.00005337561773
                   +0 :               0.00002741006596
                   +1 :              -0.00003658140699
                3s
                   +0 :              -0.00036391705620
                4s
                   +0 :               0.00003027296672
                3p
                   -1 :               0.00010764531222
                   +0 :              -0.00018508355372
                   +1 :               0.00008795689076
                4p
                   -1 :              -0.00003541721114
                   +0 :               0.00003816165442
                   +1 :              -0.00005735971031
                3d
                   -2 :              -0.00005203611258
                   -1 :              -0.00002430586171
                   +0 :              -0.00001219630276
                   +1 :               0.00000304614981
                   +2 :               0.00001931366953
              7 vec=    -2.803193    -10.359920    -10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00006121430295
                2p
                   -1 :              -0.00003399954932
                   +0 :               0.00003021101318
                   +1 :               0.00003990581855
                3s
                   +0 :              -0.00065635146481
                4s
                   +0 :               0.00010750258205
                3p
                   -1 :               0.00022178884411
                   +0 :              -0.00004855004402
                   +1 :               0.00006806415019
                4p
                   -1 :              -0.00004066470980
                   +0 :               0.00001527582962
                   +1 :               0.00002708416162
                3d
                   -2 :              -0.00007197554836
                   -1 :               0.00003453883950
                   +0 :               0.00004201677226
                   +1 :              -0.00004387846583
                   +2 :              -0.00006915285341
              8 vec=   -10.583355      3.115717    -10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00014682516621
                2p
                   -1 :              -0.00000765028007
                   +0 :              -0.00005330943970
                   +1 :              -0.00001664913825
                3s
                   +0 :              -0.00032137685295
                4s
                   +0 :               0.00004102933414
                3p
                   -1 :               0.00005576884271
                   +0 :               0.00019037167091
                   +1 :              -0.00015433327517
                4p
                   -1 :              -0.00003725119150
                   +0 :              -0.00004195168725
                   +1 :               0.00010715520790
                3d
                   -2 :              -0.00002838357946
                   -1 :               0.00001631991611
                   +0 :               0.00000920919986
                   +1 :               0.00001570402228
                   +2 :               0.00006692625744
              9 vec=     4.976970     -5.868041     13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00003170778708
                2p
                   -1 :              -0.00001820332554
                   +0 :               0.00005876237186
                   +1 :              -0.00001319201594
                3s
                   +0 :               0.00002747731724
                4s
                   +0 :               0.00005474074839
                3p
                   -1 :               0.00005480705020
                   +0 :              -0.00046468333136
                   +1 :               0.00004481912255
                4p
                   -1 :              -0.00004564634145
                   +0 :               0.00016434461522
                   +1 :              -0.00001588220294
                3d
                   -2 :              -0.00003354470108
                   -1 :               0.00005017467060
                   +0 :              -0.00014393463780
                   +1 :              -0.00004856915104
                   +2 :              -0.00005281646309
             10 vec=    -2.803193      7.607596     13.854306   |vec|=   16.052264
                2s
                   +0 :               0.00010079200979
                2p
                   -1 :               0.00001434528472
                   +0 :               0.00005590930622
                   +1 :               0.00001636604592
                3s
                   +0 :              -0.00036582863415
                4s
                   +0 :               0.00010629224863
                3p
                   -1 :              -0.00001850073571
                   +0 :              -0.00038554238938
                   +1 :              -0.00015067323119
                4p
                   -1 :              -0.00000709797902
                   +0 :               0.00008361050616
                   +1 :               0.00001584230080
                3d
                   -2 :              -0.00003890553478
                   -1 :              -0.00002383501126
                   +0 :              -0.00008850292132
                   +1 :               0.00005053841295
                   +2 :               0.00001198893995
             11 vec=   -10.583355     -5.868041    -10.693237   |vec|=   16.148889
                2s
                   +0 :              -0.00018127262443
                2p
                   -1 :               0.00004453308127
                   +0 :               0.00010896583747
                   +1 :               0.00006960824118
                3s
                   +0 :               0.00052614288374
                4s
                   +0 :              -0.00022521436145
                3p
                   -1 :              -0.00021112276649
                   +0 :              -0.00054882020502
                   +1 :              -0.00029336302898
                4p
                   -1 :               0.00005356168558
                   +0 :               0.00016328502102
                   +1 :               0.00005113372420
                3d
                   -2 :              -0.00000057072899
                   -1 :               0.00007413378325
                   +0 :               0.00005941406055
                   +1 :               0.00009915924937
                   +2 :               0.00001067485852
             12 vec=    12.757133     -1.376162    -10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00005347422186
                2p
                   -1 :              -0.00002160090597
                   +0 :               0.00004568266198
                   +1 :              -0.00003018493564
                3s
                   +0 :               0.00035466402767
                4s
                   +0 :              -0.00011099382353
                3p
                   -1 :               0.00010934035701
                   +0 :              -0.00030953940801
                   +1 :               0.00017412765445
                4p
                   -1 :              -0.00003640339729
                   +0 :               0.00007713370296
                   +1 :              -0.00005561436853
                3d
                   -2 :               0.00005506771886
                   -1 :              -0.00002811695748
                   +0 :               0.00008976351667
                   +1 :              -0.00006415205184
                   +2 :               0.00004288897662
             13 vec=     4.976970     12.099475    -10.693237   |vec|=   16.897125
                2s
                   +0 :              -0.00013311029612
                2p
                   -1 :              -0.00002715582673
                   +0 :               0.00003693513036
                   +1 :               0.00004011170747
                3s
                   +0 :               0.00064360051617
                4s
                   +0 :              -0.00010282248945
                3p
                   -1 :               0.00011692565927
                   +0 :              -0.00027268888064
                   +1 :              -0.00030809465391
                4p
                   -1 :               0.00002079435668
                   +0 :               0.00002501537827
                   +1 :               0.00011500640097
                3d
                   -2 :              -0.00004664349228
                   -1 :              -0.00002058586515
                   +0 :               0.00008019956806
                   +1 :               0.00000962859358
                   +2 :              -0.00002205569299
             14 vec=    -2.803193    -10.359920     13.854306   |vec|=   17.525057
                2s
                   +0 :               0.00006515827153
                2p
                   -1 :              -0.00003014570969
                   +0 :               0.00002031851851
                   +1 :               0.00003852593639
                3s
                   +0 :              -0.00031319116094
                4s
                   +0 :               0.00006208312888
                3p
                   -1 :               0.00025156231441
                   +0 :              -0.00017576317532
                   +1 :              -0.00013568349672
                4p
                   -1 :              -0.00002767726286
                   +0 :               0.00004493516214
                   +1 :               0.00006494496212
                3d
                   -2 :               0.00000668266011
                   -1 :               0.00003705110109
                   +0 :               0.00000891749434
                   +1 :              -0.00001075307239
                   +2 :               0.00008094412345
             15 vec=   -10.583355      3.115717     13.854306   |vec|=   17.710361
                2s
                   +0 :              -0.00008434896846
                2p
                   -1 :              -0.00000668394788
                   +0 :               0.00001127121941
                   +1 :               0.00006156550904
                3s
                   +0 :               0.00029327330728
                4s
                   +0 :              -0.00004699430573
                3p
                   -1 :               0.00006358625989
                   +0 :              -0.00008882209684
                   +1 :              -0.00031293697117
                4p
                   -1 :               0.00003166282180
                   +0 :               0.00003240399851
                   +1 :               0.00006842375028
                3d
                   -2 :              -0.00007145114221
                   -1 :              -0.00000158737100
                   +0 :              -0.00003924682557
                   +1 :              -0.00001542280595
                   +2 :               0.00004593501388
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Cr(  3)  npairs=  14
              1 vec=    -2.803193     -1.376162      1.580534   |vec|=    3.499971
                3s
                   +0 :               0.04020604550237
                3p
                   -1 :              -0.00125036129787
                   +0 :               0.03031985495715
                   +1 :              -0.04973017895840
                4s
                   +0 :               0.00588612419597
                5s
                   +0 :               0.00549071215578
                3d
                   -2 :              -0.00813604073638
                   -1 :               0.00483368034185
                   +0 :               0.00251591975014
                   +1 :              -0.03334719324229
                   +2 :               0.03943866300944
                4d
                   -2 :              -0.00510963192581
                   -1 :               0.00144773608414
                   +0 :               0.00224977643153
                   +1 :              -0.00207689817968
                   +2 :               0.00498850790813
                4p
                   -1 :               0.01156953559557
                   +0 :               0.00818069378700
                   +1 :              -0.01593100883903
              2 vec=     4.976970      3.115717      1.580534   |vec|=    6.080790
                3s
                   +0 :               0.00334463102349
                3p
                   -1 :              -0.00068417546215
                   +0 :               0.00129375437456
                   +1 :               0.00043045402854
                4s
                   +0 :              -0.00451482870715
                5s
                   +0 :               0.00096709325624
                3d
                   -2 :              -0.00729331218550
                   -1 :               0.00112882732389
                   +0 :               0.00220426121588
                   +1 :              -0.00270334367601
                   +2 :              -0.00080489119872
                4d
                   -2 :              -0.00172606641243
                   -1 :              -0.00151580255183
                   +0 :               0.00098242106472
                   +1 :              -0.00225292935922
                   +2 :              -0.00189879376501
                4p
                   -1 :              -0.00085640367806
                   +0 :              -0.00400156107192
                   +1 :              -0.00234326232015
              3 vec=     4.976970     -5.868041      1.580534   |vec|=    7.855076
                3s
                   +0 :               0.00146709137631
                3p
                   -1 :               0.00091365450379
                   +0 :              -0.00001749545702
                   +1 :              -0.00020640478595
                4s
                   +0 :               0.00533273050101
                5s
                   +0 :              -0.00025748885366
                3d
                   -2 :               0.00183557638062
                   -1 :               0.00048964616491
                   +0 :               0.00237291195552
                   +1 :               0.00385605896091
                   +2 :               0.00318535795155
                4d
                   -2 :              -0.00074229209726
                   -1 :              -0.00185078665435
                   +0 :               0.00001624257521
                   +1 :               0.00125390791180
                   +2 :               0.00135603489335
                4p
                   -1 :               0.00009399185351
                   +0 :               0.00407423835741
                   +1 :               0.00314955460413
              4 vec=    -2.803193      7.607596      1.580534   |vec|=    8.260236
                3s
                   +0 :              -0.00035577042085
                3p
                   -1 :              -0.00054745529568
                   +0 :              -0.00004770351246
                   +1 :               0.00064425872256
                4s
                   +0 :              -0.00234440182065
                5s
                   +0 :               0.00048322886199
                3d
                   -2 :              -0.00379064715653
                   -1 :              -0.00180429588530
                   +0 :               0.00011357351933
                   +1 :              -0.00096487808382
                   +2 :               0.00133044222479
                4d
                   -2 :              -0.00204118384191
                   -1 :              -0.00050370607376
                   +0 :              -0.00091362866680
                   +1 :              -0.00146873491950
                   +2 :              -0.00115810186387
                4p
                   -1 :               0.00136118124957
                   +0 :              -0.00198529644011
                   +1 :              -0.00421576579999
              5 vec=    -2.803193    -10.359920      1.580534   |vec|=   10.848222
                3s
                   +0 :              -0.00012006745890
                3p
                   -1 :              -0.00007271452985
                   +0 :              -0.00005287506301
                   +1 :               0.00056231464636
                4s
                   +0 :               0.00157670781942
                5s
                   +0 :              -0.00008746809663
                3d
                   -2 :              -0.00047007760694
                   -1 :               0.00007277350706
                   +0 :              -0.00001653075557
                   +1 :              -0.00043524549318
                   +2 :               0.00014490756012
                4d
                   -2 :               0.00078569554304
                   -1 :              -0.00043538588203
                   +0 :               0.00000483436360
                   +1 :              -0.00035999539156
                   +2 :               0.00000109183036
                4p
                   -1 :              -0.00051753301837
                   +0 :               0.00076055418838
                   +1 :              -0.00129313696974
              6 vec=   -10.583355      3.115717      1.580534   |vec|=   11.145097
                3s
                   +0 :               0.00050279923212
                3p
                   -1 :               0.00015585115007
                   +0 :              -0.00031579459796
                   +1 :              -0.00005023641854
                4s
                   +0 :              -0.00154686764730
                5s
                   +0 :              -0.00005903213489
                3d
                   -2 :              -0.00080653525649
                   -1 :               0.00068535101111
                   +0 :              -0.00043121129354
                   +1 :               0.00105915010461
                   +2 :               0.00013277024263
                4d
                   -2 :              -0.00031131796649
                   -1 :               0.00047408960561
                   +0 :              -0.00006206057219
                   +1 :               0.00006986724759
                   +2 :              -0.00033876804596
                4p
                   -1 :               0.00050606960891
                   +0 :               0.00021761964892
                   +1 :               0.00084175457230
              7 vec=   -10.583355     -5.868041      1.580534   |vec|=   12.204073
                3s
                   +0 :               0.00045555120118
                3p
                   -1 :              -0.00024011392202
                   +0 :               0.00044471545268
                   +1 :              -0.00033643175354
                4s
                   +0 :              -0.00065104435937
                5s
                   +0 :              -0.00000538606405
                3d
                   -2 :               0.00045424848892
                   -1 :              -0.00028989245550
                   +0 :               0.00011111746293
                   +1 :              -0.00053238562652
                   +2 :               0.00010760721601
                4d
                   -2 :              -0.00018374022255
                   -1 :               0.00021667834394
                   +0 :              -0.00002020959558
                   +1 :               0.00032794023887
                   +2 :              -0.00016584041499
                4p
                   -1 :               0.00021256642800
                   +0 :              -0.00064342887724
                   +1 :               0.00034717913021
              8 vec=    12.757133     -1.376162      1.580534   |vec|=   12.928122
                3s
                   +0 :              -0.00019567506167
                3p
                   -1 :              -0.00001043678888
                   +0 :               0.00007007480310
                   +1 :               0.00002454482499
                4s
                   +0 :               0.00027112404797
                5s
                   +0 :               0.00000195130315
                3d
                   -2 :               0.00007725528591
                   -1 :               0.00001462930182
                   +0 :               0.00001076493013
                   +1 :              -0.00007476868077
                   +2 :               0.00011511268145
                4d
                   -2 :               0.00015184467641
                   -1 :              -0.00004634125127
                   +0 :              -0.00000410155814
                   +1 :              -0.00004528434241
                   +2 :              -0.00009325018773
                4p
                   -1 :               0.00019251438269
                   +0 :              -0.00014984929550
                   +1 :              -0.00004219723113
              9 vec=     4.976970     12.099475      1.580534   |vec|=   13.178225
                3s
                   +0 :               0.00020419365392
                3p
                   -1 :              -0.00026765352740
                   +0 :              -0.00025566810290
                   +1 :               0.00024719465654
                4s
                   +0 :              -0.00216291035491
                5s
                   +0 :               0.00004029938806
                3d
                   -2 :               0.00093738210612
                   -1 :              -0.00148822526657
                   +0 :              -0.00046514659458
                   +1 :               0.00053321307815
                   +2 :               0.00084918876999
                4d
                   -2 :               0.00003796119851
                   -1 :              -0.00086476224848
                   +0 :              -0.00013032310977
                   +1 :              -0.00020195969056
                   +2 :               0.00035147865190
                4p
                   -1 :              -0.00103051505318
                   +0 :              -0.00080449444617
                   +1 :              -0.00013743379134
             10 vec=    12.757133      7.607596      1.580534   |vec|=   14.937136
                3s
                   +0 :               0.00005471376856
                3p
                   -1 :              -0.00001008623113
                   +0 :              -0.00006768116163
                   +1 :               0.00001020586587
                4s
                   +0 :              -0.00020981350405
                5s
                   +0 :              -0.00003345734914
                3d
                   -2 :               0.00016222717456
                   -1 :               0.00017778066047
                   +0 :              -0.00005538986165
                   +1 :              -0.00018179801352
                   +2 :               0.00003161047277
                4d
                   -2 :               0.00003284385881
                   -1 :               0.00006690766765
                   +0 :              -0.00000239314002
                   +1 :              -0.00000370182163
                   +2 :              -0.00003250844902
                4p
                   -1 :               0.00014964741104
                   +0 :               0.00003065402711
                   +1 :              -0.00010730317969
             11 vec=     4.976970    -14.851799      1.580534   |vec|=   15.743070
                3s
                   +0 :              -0.00006200415731
                3p
                   -1 :               0.00000266322388
                   +0 :              -0.00000754156576
                   +1 :               0.00005256667536
                4s
                   +0 :               0.00035754171541
                5s
                   +0 :              -0.00002696345797
                3d
                   -2 :              -0.00018681155501
                   -1 :              -0.00005564655347
                   +0 :               0.00001127010617
                   +1 :               0.00023401797748
                   +2 :              -0.00003575472199
                4d
                   -2 :               0.00012581903096
                   -1 :              -0.00003762423720
                   +0 :               0.00000150945699
                   +1 :               0.00002034921842
                   +2 :              -0.00003388505562
                4p
                   -1 :              -0.00006846733325
                   +0 :               0.00011996734557
                   +1 :              -0.00005158329629
             12 vec=   -10.583355     12.099475      1.580534   |vec|=   16.152486
                3s
                   +0 :              -0.00004293887271
                3p
                   -1 :               0.00010461207373
                   +0 :               0.00003084123759
                   +1 :               0.00001739219649
                4s
                   +0 :               0.00017464604335
                5s
                   +0 :              -0.00005155237997
                3d
                   -2 :               0.00000679813863
                   -1 :               0.00008811709757
                   +0 :               0.00000622306412
                   +1 :               0.00005689612713
                   +2 :              -0.00007767299952
                4d
                   -2 :              -0.00000891380771
                   -1 :              -0.00010350933371
                   +0 :               0.00002013297602
                   +1 :               0.00003942079514
                   +2 :               0.00011976488377
                4p
                   -1 :              -0.00014077763692
                   +0 :              -0.00010811533976
                   +1 :              -0.00004167137598
             13 vec=    12.757133    -10.359920      1.580534   |vec|=   16.509708
                3s
                   +0 :              -0.00017142630538
                3p
                   -1 :               0.00005776680005
                   +0 :              -0.00003922753543
                   +1 :              -0.00007694280201
                4s
                   +0 :               0.00021462330623
                5s
                   +0 :               0.00000313728146
                3d
                   -2 :              -0.00002821588609
                   -1 :               0.00005275206288
                   +0 :              -0.00002123486089
                   +1 :              -0.00010590267445
                   +2 :              -0.00006610672191
                4d
                   -2 :              -0.00002977374988
                   -1 :              -0.00005025134048
                   +0 :               0.00001109526576
                   +1 :               0.00007585136046
                   +2 :              -0.00001129981563
                4p
                   -1 :              -0.00008377449969
                   +0 :               0.00009090742258
                   +1 :               0.00007243988512
             14 vec=    -2.803193     16.591354      1.580534   |vec|=   16.900562
                3s
                   +0 :              -0.00004071198148
                3p
                   -1 :              -0.00007393128955
                   +0 :              -0.00009079133418
                   +1 :              -0.00002340500797
                4s
                   +0 :              -0.00010936916304
                5s
                   +0 :               0.00004659922128
                3d
                   -2 :              -0.00005745583259
                   -1 :              -0.00036746562294
                   +0 :              -0.00004056198083
                   +1 :              -0.00007067464187
                   +2 :               0.00022166424317
                4d
                   -2 :              -0.00000832065378
                   -1 :               0.00003337383424
                   +0 :               0.00002116101183
                   +1 :              -0.00001503671643
                   +2 :               0.00000179634590
                4p
                   -1 :               0.00000165806658
                   +0 :               0.00007021321614
                   +1 :               0.00001686726256
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al(  4)  npairs=  14
              1 vec=    -2.803193     -1.376162     -5.671791   |vec|=    6.474637
                2s
                   +0 :               0.00133990884847
                2p
                   -1 :               0.00074452522093
                   +0 :              -0.00127008723630
                   +1 :              -0.00085652594824
                3s
                   +0 :              -0.00406036341941
                4s
                   +0 :               0.00361495345868
                3p
                   -1 :              -0.00326966293873
                   +0 :               0.00921414325208
                   +1 :               0.00499305782889
                4p
                   -1 :               0.00021138711170
                   +0 :              -0.00362093524757
                   +1 :              -0.00190640619208
                3d
                   -2 :              -0.00174115700328
                   -1 :              -0.00200714705100
                   +0 :              -0.00197151426020
                   +1 :              -0.00021976261445
                   +2 :               0.00003340721919
              2 vec=     4.976970      3.115717     -5.671791   |vec|=    8.163770
                2s
                   +0 :               0.00037331670441
                2p
                   -1 :              -0.00055964938246
                   +0 :              -0.00036543494212
                   +1 :               0.00042908178915
                3s
                   +0 :               0.00578910802317
                4s
                   +0 :              -0.00086263275511
                3p
                   -1 :               0.00656131493217
                   +0 :               0.00311786636987
                   +1 :               0.00155841921415
                4p
                   -1 :              -0.00105015320538
                   +0 :              -0.00034468871162
                   +1 :               0.00052838880688
                3d
                   -2 :               0.00202296267480
                   -1 :              -0.00019965335394
                   +0 :              -0.00195920134873
                   +1 :               0.00149352945060
                   +2 :               0.00001531893909
              3 vec=     4.976970     -5.868041     -5.671791   |vec|=    9.558941
                2s
                   +0 :              -0.00092402398938
                2p
                   -1 :               0.00076952257457
                   +0 :               0.00059437252766
                   +1 :               0.00051447544461
                3s
                   +0 :               0.00213239005810
                4s
                   +0 :              -0.00048662596635
                3p
                   -1 :              -0.00382526814113
                   +0 :              -0.00175094654703
                   +1 :              -0.00267327130918
                4p
                   -1 :               0.00071705489695
                   +0 :               0.00036514155472
                   +1 :               0.00054890432664
                3d
                   -2 :               0.00032269690918
                   -1 :               0.00041800233921
                   +0 :              -0.00042041976447
                   +1 :               0.00037368013696
                   +2 :              -0.00036107597197
              4 vec=    -2.803193      7.607596     -5.671791   |vec|=    9.894576
                2s
                   +0 :               0.00201601478183
                2p
                   -1 :               0.00008196359887
                   +0 :               0.00029190914855
                   +1 :              -0.00185014233784
                3s
                   +0 :              -0.00495862499373
                4s
                   +0 :               0.00124866940311
                3p
                   -1 :               0.00040223871073
                   +0 :              -0.00280807361422
                   +1 :               0.00806348374224
                4p
                   -1 :              -0.00029816133729
                   +0 :               0.00142400296441
                   +1 :              -0.00151704685683
                3d
                   -2 :               0.00064612416679
                   -1 :              -0.00072036841489
                   +0 :               0.00082490611141
                   +1 :              -0.00038676731414
                   +2 :              -0.00101369976531
              5 vec=    -2.803193    -10.359920     -5.671791   |vec|=   12.138989
                2s
                   +0 :              -0.00021047015679
                2p
                   -1 :               0.00030232575874
                   +0 :               0.00011567657035
                   +1 :              -0.00002932004737
                3s
                   +0 :              -0.00128862126276
                4s
                   +0 :              -0.00038045058966
                3p
                   -1 :              -0.00032856393924
                   +0 :               0.00005100530234
                   +1 :               0.00012037473297
                4p
                   -1 :               0.00047645310912
                   +0 :              -0.00002389626089
                   +1 :               0.00000989799908
                3d
                   -2 :              -0.00003300547361
                   -1 :               0.00011923260904
                   +0 :               0.00005849395163
                   +1 :              -0.00003529204931
                   +2 :               0.00013507972824
              6 vec=   -10.583355      3.115717     -5.671791   |vec|=   12.405012
                2s
                   +0 :               0.00008613181432
                2p
                   -1 :               0.00011375123503
                   +0 :              -0.00004453171674
                   +1 :              -0.00012030230804
                3s
                   +0 :              -0.00030415178431
                4s
                   +0 :               0.00000346279776
                3p
                   -1 :              -0.00010055935192
                   +0 :              -0.00022123524014
                   +1 :               0.00058046078411
                4p
                   -1 :               0.00004630528118
                   +0 :               0.00005085701362
                   +1 :              -0.00001881637634
                3d
                   -2 :               0.00006966485205
                   -1 :              -0.00012222198766
                   +0 :               0.00005409601245
                   +1 :              -0.00006245802245
                   +2 :              -0.00040845641807
              7 vec=   -10.583355     -5.868041     -5.671791   |vec|=   13.364525
                2s
                   +0 :              -0.00010774944665
                2p
                   -1 :              -0.00001702182178
                   +0 :              -0.00004862125667
                   +1 :               0.00004066308046
                3s
                   +0 :               0.00013102696006
                4s
                   +0 :              -0.00011053620566
                3p
                   -1 :              -0.00002497739676
                   +0 :               0.00010918756761
                   +1 :              -0.00020784434410
                4p
                   -1 :              -0.00000053583731
                   +0 :               0.00001723841907
                   +1 :               0.00007000567266
                3d
                   -2 :               0.00004485853647
                   -1 :               0.00002436850311
                   +0 :               0.00001575878011
                   +1 :              -0.00006166767859
                   +2 :              -0.00002582584106
              8 vec=    12.757133     -1.376162     -5.671791   |vec|=   14.028809
                2s
                   +0 :              -0.00038185818217
                2p
                   -1 :              -0.00015872033496
                   +0 :               0.00008383204699
                   +1 :              -0.00006973393572
                3s
                   +0 :               0.00116929374111
                4s
                   +0 :              -0.00019591762855
                3p
                   -1 :               0.00076197198129
                   +0 :              -0.00040845046941
                   +1 :               0.00010960548557
                4p
                   -1 :              -0.00019110346122
                   +0 :               0.00014138428297
                   +1 :               0.00010066964419
                3d
                   -2 :               0.00012947369372
                   -1 :              -0.00022386884713
                   +0 :               0.00001321105186
                   +1 :              -0.00007239359579
                   +2 :              -0.00004122542356
              9 vec=     4.976970     12.099475     -5.671791   |vec|=   14.259619
                2s
                   +0 :              -0.00010190590892
                2p
                   -1 :               0.00011307059037
                   +0 :              -0.00006215354002
                   +1 :              -0.00001885307545
                3s
                   +0 :               0.00034328294481
                4s
                   +0 :               0.00005254646634
                3p
                   -1 :              -0.00070035942820
                   +0 :               0.00026603203719
                   +1 :               0.00001689491609
                4p
                   -1 :               0.00023328440991
                   +0 :              -0.00006687856820
                   +1 :               0.00001418131064
                3d
                   -2 :              -0.00005501960727
                   -1 :               0.00014638208873
                   +0 :               0.00012478788590
                   +1 :              -0.00008176315626
                   +2 :               0.00004904200986
             10 vec=    12.757133      7.607596     -5.671791   |vec|=   15.899345
                2s
                   +0 :               0.00004617177668
                2p
                   -1 :               0.00003832748520
                   +0 :              -0.00002198876106
                   +1 :               0.00004819103589
                3s
                   +0 :              -0.00017167330850
                4s
                   +0 :               0.00003185330498
                3p
                   -1 :              -0.00023335973431
                   +0 :               0.00006202801818
                   +1 :              -0.00037128738181
                4p
                   -1 :               0.00005127110772
                   +0 :              -0.00000912602137
                   +1 :               0.00006327195127
                3d
                   -2 :              -0.00008861339411
                   -1 :               0.00004566866935
                   +0 :               0.00008679491461
                   +1 :               0.00001402080787
                   +2 :              -0.00008150227948
             11 vec=     4.976970    -14.851799     -5.671791   |vec|=   16.658793
                2s
                   +0 :               0.00006439700525
                2p
                   -1 :              -0.00001996729041
                   +0 :              -0.00000672580925
                   +1 :              -0.00001699271549
                3s
                   +0 :              -0.00080424493804
                4s
                   +0 :               0.00008904099096
                3p
                   -1 :               0.00038761720291
                   +0 :               0.00008658550569
                   +1 :               0.00013004693111
                4p
                   -1 :              -0.00004002014207
                   +0 :              -0.00003880410478
                   +1 :              -0.00004031870623
                3d
                   -2 :              -0.00005197834042
                   -1 :               0.00000321947945
                   +0 :               0.00003335961284
                   +1 :              -0.00004188629461
                   +2 :               0.00004801709154
             12 vec=   -10.583355     12.099475     -5.671791   |vec|=   17.046229
                2s
                   +0 :               0.00013862613474
                2p
                   -1 :               0.00006016749223
                   +0 :              -0.00002481241181
                   +1 :              -0.00009721658025
                3s
                   +0 :              -0.00033087458358
                4s
                   +0 :               0.00017893474536
                3p
                   -1 :              -0.00026979316176
                   +0 :               0.00007708989511
                   +1 :               0.00037973712820
                4p
                   -1 :               0.00009896774185
                   +0 :              -0.00001258749709
                   +1 :              -0.00010295711938
                3d
                   -2 :               0.00005424487119
                   -1 :               0.00004745726007
                   +0 :              -0.00000870964910
                   +1 :              -0.00009893787232
                   +2 :              -0.00005039571711
             13 vec=    12.757133    -10.359920     -5.671791   |vec|=   17.385097
                2s
                   +0 :               0.00001597489250
                2p
                   -1 :              -0.00002743521440
                   +0 :               0.00002618051116
                   +1 :              -0.00000897470053
                3s
                   +0 :              -0.00008834705539
                4s
                   +0 :               0.00000938474268
                3p
                   -1 :               0.00012016859362
                   +0 :              -0.00006671975030
                   +1 :               0.00005410853902
                4p
                   -1 :              -0.00004153109404
                   +0 :              -0.00000186165092
                   +1 :              -0.00002835375703
                3d
                   -2 :               0.00001828605594
                   -1 :              -0.00000883890349
                   +0 :              -0.00001127973968
                   +1 :              -0.00000967527464
                   +2 :               0.00001235273789
             14 vec=    -2.803193     16.591354     -5.671791   |vec|=   17.756693
                2s
                   +0 :              -0.00003406611058
                2p
                   -1 :              -0.00000514286440
                   +0 :               0.00002417690781
                   +1 :               0.00000452251727
                3s
                   +0 :               0.00031308527405
                4s
                   +0 :              -0.00009157938132
                3p
                   -1 :               0.00011982881544
                   +0 :              -0.00004632878082
                   +1 :              -0.00012304494224
                4p
                   -1 :              -0.00003270699863
                   +0 :              -0.00002452467942
                   +1 :               0.00005264737833
                3d
                   -2 :               0.00002657395061
                   -1 :              -0.00001286905166
                   +0 :              -0.00000820403152
                   +1 :              -0.00002591966651
                   +2 :               0.00002837358443
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al(  5)  npairs=  13
              1 vec=     2.383582     -1.376162     -9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00000707464493
                2p
                   -1 :               0.00008012813120
                   +0 :              -0.00005050294463
                   +1 :               0.00019421570987
                3s
                   +0 :               0.00096456886084
                4s
                   +0 :              -0.00039048105951
                3p
                   -1 :              -0.00100324062238
                   +0 :              -0.00032782968823
                   +1 :              -0.00069007313248
                4p
                   -1 :               0.00020193430026
                   +0 :               0.00021464614378
                   +1 :               0.00033414545248
                3d
                   -2 :               0.00005257472251
                   -1 :               0.00011442352068
                   +0 :               0.00002817217358
                   +1 :              -0.00010300367733
                   +2 :              -0.00033529868017
              2 vec=    -5.396580      3.115717     -9.763130   |vec|=   11.582292
                2s
                   +0 :              -0.00033923662320
                2p
                   -1 :               0.00022548016898
                   +0 :               0.00009837209618
                   +1 :               0.00044171154616
                3s
                   +0 :               0.00112137263119
                4s
                   +0 :              -0.00046994471779
                3p
                   -1 :              -0.00089164790381
                   +0 :              -0.00069448915477
                   +1 :              -0.00218098219835
                4p
                   -1 :               0.00007977056319
                   +0 :               0.00037032808392
                   +1 :               0.00052933792080
                3d
                   -2 :               0.00006818187930
                   -1 :               0.00031384866886
                   +0 :               0.00003195086473
                   +1 :               0.00040606961206
                   +2 :               0.00011977127490
              3 vec=    -5.396580     -5.868041     -9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00010518222431
                2p
                   -1 :               0.00009561429970
                   +0 :              -0.00004451265109
                   +1 :               0.00003823929906
                3s
                   +0 :              -0.00183209106272
                4s
                   +0 :               0.00020384939903
                3p
                   -1 :               0.00033101611545
                   +0 :               0.00058410416009
                   +1 :               0.00083650993284
                4p
                   -1 :               0.00015494226267
                   +0 :              -0.00009407296099
                   +1 :              -0.00005406528559
                3d
                   -2 :              -0.00034177671514
                   -1 :              -0.00020317041742
                   +0 :               0.00019079301512
                   +1 :              -0.00014266240125
                   +2 :              -0.00009822798098
              4 vec=     2.383582      7.607596     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00001458441855
                2p
                   -1 :               0.00040977928203
                   +0 :              -0.00010992031485
                   +1 :              -0.00008021761206
                3s
                   +0 :               0.00179039522206
                4s
                   +0 :               0.00004599506369
                3p
                   -1 :              -0.00036377127757
                   +0 :               0.00021928684886
                   +1 :              -0.00003053076835
                4p
                   -1 :               0.00030108201189
                   +0 :              -0.00030248578601
                   +1 :               0.00011017967242
                3d
                   -2 :              -0.00026669540211
                   -1 :               0.00008720859930
                   +0 :              -0.00016287480060
                   +1 :               0.00006336122247
                   +2 :              -0.00028449862903
              5 vec=     2.383582    -10.359920     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00005548645005
                2p
                   -1 :              -0.00008652581953
                   +0 :              -0.00003607493823
                   +1 :               0.00003673284149
                3s
                   +0 :              -0.00094374614776
                4s
                   +0 :               0.00018943037841
                3p
                   -1 :               0.00049678791745
                   +0 :               0.00042314445195
                   +1 :              -0.00060177945033
                4p
                   -1 :              -0.00013354378296
                   +0 :              -0.00015930516503
                   +1 :               0.00001935718682
                3d
                   -2 :               0.00009464624506
                   -1 :              -0.00007206996819
                   +0 :               0.00000280478766
                   +1 :               0.00002124778968
                   +2 :               0.00000685325409
              6 vec=    10.163745      3.115717     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00001549464133
                2p
                   -1 :               0.00003161517477
                   +0 :               0.00000906681060
                   +1 :              -0.00009466863416
                3s
                   +0 :               0.00018337557449
                4s
                   +0 :              -0.00005185037976
                3p
                   -1 :              -0.00016520065474
                   +0 :              -0.00020608776522
                   +1 :               0.00069425298484
                4p
                   -1 :              -0.00005071045886
                   +0 :               0.00008612947757
                   +1 :              -0.00014077789577
                3d
                   -2 :               0.00008228907266
                   -1 :               0.00005455240840
                   +0 :              -0.00001455474391
                   +1 :              -0.00017977966296
                   +2 :               0.00020424130980
              7 vec=     2.383582     -1.376162     14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00001653523994
                2p
                   -1 :               0.00000024240364
                   +0 :               0.00001319750471
                   +1 :               0.00002113283774
                3s
                   +0 :              -0.00006722855363
                4s
                   +0 :               0.00009180860588
                3p
                   -1 :               0.00017513592519
                   +0 :              -0.00000532013638
                   +1 :               0.00005441853662
                4p
                   -1 :              -0.00003320368875
                   +0 :               0.00003962070360
                   +1 :              -0.00000787964521
                3d
                   -2 :              -0.00003865346016
                   -1 :               0.00004952638165
                   +0 :              -0.00001794560305
                   +1 :               0.00003483901752
                   +2 :              -0.00006707658629
              8 vec=    10.163745     -5.868041     -9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00020853624000
                2p
                   -1 :               0.00000938156329
                   +0 :               0.00010630450169
                   +1 :              -0.00014277143406
                3s
                   +0 :               0.00070028362128
                4s
                   +0 :              -0.00015591098712
                3p
                   -1 :               0.00005922617910
                   +0 :              -0.00049277454036
                   +1 :               0.00080745513949
                4p
                   -1 :              -0.00005300637087
                   +0 :               0.00010579104184
                   +1 :              -0.00018260997453
                3d
                   -2 :              -0.00012430551443
                   -1 :               0.00005749042409
                   +0 :              -0.00000347843353
                   +1 :              -0.00017801679412
                   +2 :               0.00010859874787
              9 vec=    -5.396580      3.115717     14.784412   |vec|=   16.043990
                2s
                   +0 :              -0.00010872146453
                2p
                   -1 :              -0.00004366196985
                   +0 :              -0.00003776656302
                   +1 :               0.00000509933852
                3s
                   +0 :               0.00006351354924
                4s
                   +0 :              -0.00003420469660
                3p
                   -1 :               0.00022734879539
                   +0 :               0.00002477915020
                   +1 :              -0.00002706943213
                4p
                   -1 :              -0.00002269789871
                   +0 :              -0.00001088163349
                   +1 :               0.00001545900195
                3d
                   -2 :              -0.00000998801347
                   -1 :              -0.00000075469929
                   +0 :              -0.00002264579227
                   +1 :               0.00000646774511
                   +2 :               0.00007076570375
             10 vec=   -13.176743     -1.376162     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00002430681732
                2p
                   -1 :               0.00000814396445
                   +0 :               0.00000964121521
                   +1 :               0.00001078420020
                3s
                   +0 :              -0.00028393284172
                4s
                   +0 :               0.00007233247395
                3p
                   -1 :              -0.00007320529111
                   +0 :              -0.00000995870079
                   +1 :               0.00004980408213
                4p
                   -1 :               0.00003798876257
                   +0 :              -0.00002251960785
                   +1 :              -0.00003745683445
                3d
                   -2 :               0.00000376333735
                   -1 :               0.00000388262576
                   +0 :               0.00002652029310
                   +1 :               0.00003297800050
                   +2 :               0.00003654359141
             11 vec=    -5.396580     12.099475     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00004756347631
                2p
                   -1 :               0.00010832411915
                   +0 :               0.00000131361392
                   +1 :              -0.00001439671136
                3s
                   +0 :              -0.00001383142509
                4s
                   +0 :               0.00004252618481
                3p
                   -1 :              -0.00043183193264
                   +0 :              -0.00005674110749
                   +1 :               0.00007846990167
                4p
                   -1 :               0.00009250465715
                   +0 :               0.00002364308172
                   +1 :              -0.00004934962948
                3d
                   -2 :               0.00006312864784
                   -1 :               0.00003549829688
                   +0 :               0.00000296504116
                   +1 :               0.00000341182124
                   +2 :               0.00001842774973
             12 vec=    -5.396580     -5.868041     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00001530610611
                2p
                   -1 :               0.00000182454736
                   +0 :               0.00000605563180
                   +1 :              -0.00004195297338
                3s
                   +0 :               0.00012960358322
                4s
                   +0 :              -0.00008784222854
                3p
                   -1 :               0.00012798653490
                   +0 :               0.00007854795644
                   +1 :               0.00022791010408
                4p
                   -1 :              -0.00001137336759
                   +0 :              -0.00002143852051
                   +1 :              -0.00000687929251
                3d
                   -2 :               0.00008381344873
                   -1 :               0.00001304982925
                   +0 :               0.00004832590580
                   +1 :               0.00001712758822
                   +2 :               0.00000918502344
             13 vec=     2.383582      7.607596     14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00005035305390
                2p
                   -1 :               0.00000943540838
                   +0 :              -0.00002459706078
                   +1 :              -0.00000072327481
                3s
                   +0 :              -0.00010666312102
                4s
                   +0 :              -0.00000992343160
                3p
                   -1 :              -0.00008870140625
                   +0 :              -0.00001485185053
                   +1 :              -0.00006221233131
                4p
                   -1 :               0.00000283985500
                   +0 :              -0.00000474919667
                   +1 :              -0.00000086430447
                3d
                   -2 :               0.00003317524116
                   -1 :              -0.00000971954664
                   +0 :              -0.00006969846041
                   +1 :              -0.00004781400637
                   +2 :               0.00000055213174
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al(  6)  npairs=  14
              1 vec=     2.383582     -1.376162     -2.510804   |vec|=    3.725510
                2s
                   +0 :              -0.01351082982320
                2p
                   -1 :               0.00366147190882
                   +0 :               0.01119530209442
                   +1 :              -0.01431159579808
                3s
                   +0 :              -0.03695574553590
                4s
                   +0 :              -0.00714745204901
                3p
                   -1 :              -0.00927046879701
                   +0 :               0.03133684732476
                   +1 :              -0.02040466212385
                4p
                   -1 :               0.00326024872111
                   +0 :               0.00542953175389
                   +1 :              -0.00897889026343
                3d
                   -2 :               0.00026600770108
                   -1 :               0.00286330589859
                   +0 :              -0.01096727496211
                   +1 :               0.02893601928385
                   +2 :              -0.02321211727356
              2 vec=    -5.396580      3.115717     -2.510804   |vec|=    6.718252
                2s
                   +0 :              -0.00387317960988
                2p
                   -1 :              -0.00017944186833
                   +0 :               0.00123524043939
                   +1 :               0.00271843601488
                3s
                   +0 :               0.01789948768395
                4s
                   +0 :              -0.00827836823440
                3p
                   -1 :               0.00158619515713
                   +0 :              -0.00777332881069
                   +1 :              -0.01160540865323
                4p
                   -1 :              -0.00070960326202
                   +0 :               0.00263410591741
                   +1 :               0.00458378171680
                3d
                   -2 :              -0.00030995803660
                   -1 :               0.00050102902802
                   +0 :               0.00093807876038
                   +1 :               0.00220450611529
                   +2 :              -0.00126609596370
              3 vec=    -5.396580     -5.868041     -2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00041274676546
                2p
                   -1 :               0.00020545692195
                   +0 :              -0.00011532716194
                   +1 :               0.00005344168002
                3s
                   +0 :              -0.00592727289586
                4s
                   +0 :              -0.00064297186564
                3p
                   -1 :              -0.00287590402371
                   +0 :               0.00340645487339
                   +1 :               0.00266843430030
                4p
                   -1 :               0.00056171227101
                   +0 :               0.00025497122511
                   +1 :               0.00069662723296
                3d
                   -2 :               0.00090207186758
                   -1 :               0.00059519213609
                   +0 :              -0.00064321729502
                   +1 :              -0.00178857459274
                   +2 :              -0.00130759105139
              4 vec=     2.383582      7.607596     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00088366950093
                2p
                   -1 :              -0.00088130985942
                   +0 :               0.00053475659755
                   +1 :               0.00051294606625
                3s
                   +0 :               0.00612045023992
                4s
                   +0 :               0.00156737760326
                3p
                   -1 :               0.00367708350871
                   +0 :              -0.00751254582678
                   +1 :              -0.00790120590789
                4p
                   -1 :               0.00098153753362
                   +0 :               0.00023399305243
                   +1 :               0.00247406079758
                3d
                   -2 :              -0.00194749268304
                   -1 :              -0.00163835323377
                   +0 :               0.00198091549546
                   +1 :               0.00168210402100
                   +2 :               0.00002700285701
              5 vec=     2.383582    -10.359920     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00048582800426
                2p
                   -1 :               0.00032122258703
                   +0 :               0.00004765582273
                   +1 :              -0.00018994682074
                3s
                   +0 :              -0.00077628233770
                4s
                   +0 :               0.00005942336195
                3p
                   -1 :              -0.00010458089380
                   +0 :              -0.00015596730185
                   +1 :               0.00129960320124
                4p
                   -1 :              -0.00017150257508
                   +0 :               0.00016559206315
                   +1 :              -0.00005164536762
                3d
                   -2 :              -0.00010768080476
                   -1 :              -0.00001048631101
                   +0 :              -0.00020940779952
                   +1 :              -0.00026943620092
                   +2 :               0.00005939509711
              6 vec=    10.163745      3.115717     -2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00029799752413
                2p
                   -1 :               0.00011367017687
                   +0 :               0.00010052317484
                   +1 :              -0.00000635206099
                3s
                   +0 :              -0.00108503465496
                4s
                   +0 :               0.00029727548496
                3p
                   -1 :               0.00002496974498
                   +0 :              -0.00015536420618
                   +1 :              -0.00005868956939
                4p
                   -1 :               0.00010028245161
                   +0 :               0.00016289287377
                   +1 :              -0.00002354419900
                3d
                   -2 :               0.00011444103273
                   -1 :              -0.00023066027710
                   +0 :               0.00015814469185
                   +1 :               0.00000126237638
                   +2 :               0.00017192987043
              7 vec=    10.163745     -5.868041     -2.510804   |vec|=   12.001657
                2s
                   +0 :              -0.00019036648023
                2p
                   -1 :               0.00001322570897
                   +0 :              -0.00006688714664
                   +1 :              -0.00010256221613
                3s
                   +0 :               0.00025594950941
                4s
                   +0 :              -0.00017568923044
                3p
                   -1 :              -0.00004472706914
                   +0 :               0.00050409771593
                   +1 :               0.00056317590548
                4p
                   -1 :               0.00020764425154
                   +0 :              -0.00005853844116
                   +1 :              -0.00008119290056
                3d
                   -2 :               0.00029395253564
                   -1 :              -0.00020277931929
                   +0 :              -0.00017683669275
                   +1 :              -0.00002792604971
                   +2 :               0.00038327739370
              8 vec=   -13.176743     -1.376162     -2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00025974545148
                2p
                   -1 :              -0.00008359556730
                   +0 :              -0.00017839316075
                   +1 :              -0.00008570251057
                3s
                   +0 :              -0.00150830920702
                4s
                   +0 :               0.00038105490021
                3p
                   -1 :               0.00059480966902
                   +0 :               0.00124139182038
                   +1 :               0.00054763594823
                4p
                   -1 :              -0.00006467471081
                   +0 :              -0.00025663933536
                   +1 :              -0.00015668465400
                3d
                   -2 :              -0.00008073237202
                   -1 :              -0.00021858060482
                   +0 :              -0.00015185211315
                   +1 :              -0.00028545705251
                   +2 :               0.00002885687835
              9 vec=    -5.396580     12.099475     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00023948472174
                2p
                   -1 :               0.00007030211709
                   +0 :              -0.00010295209136
                   +1 :               0.00025571977328
                3s
                   +0 :               0.00116583462994
                4s
                   +0 :               0.00002543076618
                3p
                   -1 :              -0.00010761685324
                   +0 :              -0.00002546932862
                   +1 :              -0.00109962393872
                4p
                   -1 :               0.00024847331884
                   +0 :               0.00000229572529
                   +1 :               0.00036276525091
                3d
                   -2 :              -0.00019351416699
                   -1 :              -0.00009972520440
                   +0 :              -0.00008460210102
                   +1 :              -0.00019996219727
                   +2 :               0.00019051228033
             10 vec=   -13.176743      7.607596     -2.510804   |vec|=   15.420966
                2s
                   +0 :               0.00007445563820
                2p
                   -1 :              -0.00002839856431
                   +0 :              -0.00003796990545
                   +1 :              -0.00002601503275
                3s
                   +0 :              -0.00010967692397
                4s
                   +0 :              -0.00003333148392
                3p
                   -1 :               0.00023890301972
                   +0 :               0.00011642840392
                   +1 :               0.00009034896054
                4p
                   -1 :              -0.00003706844259
                   +0 :              -0.00005173879261
                   +1 :               0.00005967280421
                3d
                   -2 :              -0.00000858940169
                   -1 :              -0.00002103074030
                   +0 :              -0.00000428790372
                   +1 :              -0.00003603165447
                   +2 :              -0.00001228370600
             11 vec=    -5.396580    -14.851799     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00005344022065
                2p
                   -1 :              -0.00003240851307
                   +0 :               0.00002119185098
                   +1 :               0.00002146832687
                3s
                   +0 :              -0.00050473592505
                4s
                   +0 :               0.00010732458713
                3p
                   -1 :               0.00023217078096
                   +0 :              -0.00014401817239
                   +1 :              -0.00018818621394
                4p
                   -1 :              -0.00005831981014
                   +0 :               0.00002685776841
                   +1 :               0.00004429879092
                3d
                   -2 :               0.00002005779520
                   -1 :               0.00003005541586
                   +0 :              -0.00001781075168
                   +1 :              -0.00002347375681
                   +2 :               0.00000570692734
             12 vec=    10.163745     12.099475     -2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00005358439580
                2p
                   -1 :              -0.00002618094446
                   +0 :              -0.00001902435714
                   +1 :              -0.00000070401256
                3s
                   +0 :               0.00051606802836
                4s
                   +0 :              -0.00013677934142
                3p
                   -1 :               0.00008588022729
                   +0 :               0.00005153803933
                   +1 :               0.00010257493466
                4p
                   -1 :              -0.00009365050382
                   +0 :              -0.00004118822812
                   +1 :              -0.00003924668227
                3d
                   -2 :               0.00001169808493
                   -1 :               0.00010519772737
                   +0 :               0.00002251869733
                   +1 :              -0.00006577783744
                   +2 :              -0.00005341831687
             13 vec=   -13.176743    -10.359920     -2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00006122234612
                2p
                   -1 :               0.00002626380530
                   +0 :               0.00003301799843
                   +1 :               0.00001787709476
                3s
                   +0 :               0.00012001109973
                4s
                   +0 :              -0.00006078008846
                3p
                   -1 :              -0.00009000532895
                   +0 :              -0.00018013515062
                   +1 :              -0.00009947399436
                4p
                   -1 :               0.00002515155255
                   +0 :               0.00005715685509
                   +1 :               0.00002297933248
                3d
                   -2 :               0.00001455046425
                   -1 :              -0.00002274276784
                   +0 :              -0.00003012817685
                   +1 :               0.00002938061390
                   +2 :               0.00001633230724
             14 vec=     2.383582     16.591354     -2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00001688638890
                2p
                   -1 :               0.00000251772450
                   +0 :              -0.00002001051957
                   +1 :              -0.00004151337679
                3s
                   +0 :               0.00036798600673
                4s
                   +0 :              -0.00008443505807
                3p
                   -1 :               0.00010276222374
                   +0 :              -0.00003528165834
                   +1 :               0.00020518314469
                4p
                   -1 :              -0.00003424892044
                   +0 :              -0.00001313756063
                   +1 :              -0.00001907885699
                3d
                   -2 :               0.00004275363406
                   -1 :              -0.00004793381364
                   +0 :               0.00004312297887
                   +1 :              -0.00002518580801
                   +2 :              -0.00001722543107
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al(  7)  npairs=  13
              1 vec=     2.383582     -1.376162      9.762967   |vec|=   10.143511
                2s
                   +0 :               0.00036078619475
                2p
                   -1 :              -0.00008732207129
                   +0 :               0.00004084500443
                   +1 :              -0.00010962968763
                3s
                   +0 :              -0.00259848827567
                4s
                   +0 :               0.00045287340539
                3p
                   -1 :               0.00005772748586
                   +0 :              -0.00096359712757
                   +1 :               0.00048271509254
                4p
                   -1 :              -0.00005721414729
                   +0 :               0.00027389469030
                   +1 :              -0.00029707070395
                3d
                   -2 :               0.00052478157671
                   -1 :               0.00009589710893
                   +0 :               0.00000379220759
                   +1 :              -0.00001381640419
                   +2 :               0.00013401777285
              2 vec=    -5.396580      3.115717      9.762967   |vec|=   11.582154
                2s
                   +0 :               0.00013261245927
                2p
                   -1 :               0.00028215501684
                   +0 :              -0.00003856833126
                   +1 :              -0.00011335034384
                3s
                   +0 :               0.00009058557440
                4s
                   +0 :               0.00015308194661
                3p
                   -1 :              -0.00102238376952
                   +0 :              -0.00001704020626
                   +1 :               0.00090357958556
                4p
                   -1 :               0.00046012041082
                   +0 :               0.00011046622068
                   +1 :              -0.00024849156570
                3d
                   -2 :               0.00002935441630
                   -1 :              -0.00015065062838
                   +0 :               0.00004192438930
                   +1 :               0.00000903119286
                   +2 :              -0.00026736614822
              3 vec=    -5.396580     -5.868041      9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00024188866069
                2p
                   -1 :               0.00005558218542
                   +0 :              -0.00017703745320
                   +1 :               0.00014787513138
                3s
                   +0 :               0.00030075119915
                4s
                   +0 :              -0.00046909917413
                3p
                   -1 :               0.00010464971898
                   +0 :               0.00158233014813
                   +1 :               0.00114893845402
                4p
                   -1 :               0.00011205528311
                   +0 :              -0.00059157097282
                   +1 :              -0.00003475851601
                3d
                   -2 :              -0.00028694478195
                   -1 :               0.00004958364226
                   +0 :               0.00065133326412
                   +1 :              -0.00016466485675
                   +2 :              -0.00018317308916
              4 vec=     2.383582      7.607596      9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00004416795652
                2p
                   -1 :               0.00003391135492
                   +0 :               0.00001791233377
                   +1 :               0.00022129017491
                3s
                   +0 :               0.00078924560946
                4s
                   +0 :              -0.00017469151696
                3p
                   -1 :               0.00044858909810
                   +0 :               0.00000948827900
                   +1 :              -0.00116566328534
                4p
                   -1 :              -0.00003820822569
                   +0 :               0.00004603228470
                   +1 :               0.00046625854236
                3d
                   -2 :               0.00005407263025
                   -1 :              -0.00011090106492
                   +0 :              -0.00008965884838
                   +1 :               0.00002151347230
                   +2 :               0.00005221589405
              5 vec=     2.383582    -10.359920      9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00028011730004
                2p
                   -1 :              -0.00007244316042
                   +0 :               0.00008265128609
                   +1 :               0.00002842980493
                3s
                   +0 :              -0.00070679495431
                4s
                   +0 :               0.00017760056057
                3p
                   -1 :               0.00027474934643
                   +0 :              -0.00040339430753
                   +1 :              -0.00035846360498
                4p
                   -1 :              -0.00000561093049
                   +0 :               0.00011197295802
                   +1 :              -0.00000819164125
                3d
                   -2 :               0.00005954004508
                   -1 :               0.00008760861553
                   +0 :               0.00001626345883
                   +1 :              -0.00001442286482
                   +2 :              -0.00001444421113
              6 vec=    10.163745      3.115717      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00002830522488
                2p
                   -1 :               0.00011674202075
                   +0 :              -0.00003689663017
                   +1 :              -0.00001226091848
                3s
                   +0 :               0.00014706105409
                4s
                   +0 :               0.00006263233509
                3p
                   -1 :              -0.00089679879020
                   +0 :               0.00029732748360
                   +1 :               0.00002540680626
                4p
                   -1 :               0.00019503853619
                   +0 :              -0.00006015525173
                   +1 :               0.00011462797560
                3d
                   -2 :              -0.00022413758755
                   -1 :              -0.00020239826676
                   +0 :               0.00001759258811
                   +1 :               0.00010834039777
                   +2 :               0.00010700828022
              7 vec=     2.383582     -1.376162    -14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00009419073624
                2p
                   -1 :              -0.00002937021752
                   +0 :               0.00002814850151
                   +1 :               0.00001012568918
                3s
                   +0 :               0.00044423016856
                4s
                   +0 :              -0.00012771788213
                3p
                   -1 :               0.00012511931895
                   +0 :              -0.00015490249146
                   +1 :               0.00002468110762
                4p
                   -1 :               0.00000291949741
                   +0 :               0.00004323861314
                   +1 :               0.00000030899409
                3d
                   -2 :               0.00006430405804
                   -1 :              -0.00002092826408
                   +0 :              -0.00000160632931
                   +1 :               0.00001721432859
                   +2 :              -0.00000270750514
              8 vec=    10.163745     -5.868041      9.762967   |vec|=   15.266013
                2s
                   +0 :              -0.00006580399281
                2p
                   -1 :               0.00004932609597
                   +0 :              -0.00009707209444
                   +1 :              -0.00004380361574
                3s
                   +0 :               0.00037446434921
                4s
                   +0 :              -0.00016510517428
                3p
                   -1 :              -0.00005159267887
                   +0 :               0.00069182615024
                   +1 :               0.00017805949109
                4p
                   -1 :               0.00006318796073
                   +0 :              -0.00019309814728
                   +1 :              -0.00007243963693
                3d
                   -2 :              -0.00000999517824
                   -1 :              -0.00012421359887
                   +0 :               0.00008765263281
                   +1 :               0.00017825171889
                   +2 :              -0.00002521596856
              9 vec=    -5.396580      3.115717    -14.784576   |vec|=   16.044141
                2s
                   +0 :               0.00000640829352
                2p
                   -1 :              -0.00005079401520
                   +0 :               0.00000943731930
                   +1 :              -0.00000940531815
                3s
                   +0 :               0.00018086753324
                4s
                   +0 :              -0.00006547294695
                3p
                   -1 :               0.00023672997347
                   +0 :              -0.00015912555425
                   +1 :               0.00005128825508
                4p
                   -1 :              -0.00005894840210
                   +0 :               0.00004450253002
                   +1 :              -0.00000816423424
                3d
                   -2 :               0.00002894490750
                   -1 :              -0.00003133710935
                   +0 :               0.00005804727262
                   +1 :               0.00002912757011
                   +2 :               0.00000281452215
             10 vec=   -13.176743     -1.376162      9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00001435522907
                2p
                   -1 :              -0.00001854704599
                   +0 :               0.00000483851911
                   +1 :              -0.00005116190655
                3s
                   +0 :              -0.00000215926664
                4s
                   +0 :               0.00008436284040
                3p
                   -1 :               0.00016962668748
                   +0 :               0.00001773622235
                   +1 :               0.00021564369313
                4p
                   -1 :              -0.00003100835246
                   +0 :              -0.00003273926487
                   +1 :              -0.00010143307055
                3d
                   -2 :              -0.00011058583285
                   -1 :               0.00005072319542
                   +0 :               0.00002001594283
                   +1 :               0.00002573517531
                   +2 :              -0.00002486128185
             11 vec=    -5.396580     12.099475      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00002313762757
                2p
                   -1 :               0.00002651688962
                   +0 :              -0.00000118342666
                   +1 :               0.00001529574869
                3s
                   +0 :              -0.00004383296385
                4s
                   +0 :              -0.00001580408898
                3p
                   -1 :              -0.00005250179492
                   +0 :              -0.00010239085242
                   +1 :              -0.00005411361930
                4p
                   -1 :              -0.00000155967884
                   +0 :               0.00002434873292
                   +1 :               0.00000445105843
                3d
                   -2 :               0.00003236192315
                   -1 :              -0.00000555371742
                   +0 :              -0.00006475849821
                   +1 :              -0.00001342857951
                   +2 :              -0.00002671498044
             12 vec=    -5.396580     -5.868041    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00009511104126
                2p
                   -1 :              -0.00002886513168
                   +0 :              -0.00003428090679
                   +1 :               0.00003245384778
                3s
                   +0 :              -0.00034494419403
                4s
                   +0 :               0.00007645835826
                3p
                   -1 :               0.00007707358133
                   +0 :               0.00011267802157
                   +1 :              -0.00017331483603
                4p
                   -1 :              -0.00001453991562
                   +0 :              -0.00003321204268
                   +1 :               0.00003388826533
                3d
                   -2 :               0.00003335251140
                   -1 :               0.00001913973966
                   +0 :               0.00003559085515
                   +1 :               0.00002997809009
                   +2 :               0.00001954750234
             13 vec=     2.383582      7.607596    -14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00007802869864
                2p
                   -1 :               0.00000517870027
                   +0 :               0.00000345084925
                   +1 :               0.00006819724317
                3s
                   +0 :               0.00033198620767
                4s
                   +0 :              -0.00000713985200
                3p
                   -1 :              -0.00001324268238
                   +0 :               0.00006625400117
                   +1 :              -0.00033736795195
                4p
                   -1 :               0.00000904668127
                   +0 :              -0.00004591134603
                   +1 :               0.00007407831056
                3d
                   -2 :               0.00000920679956
                   -1 :               0.00004962840694
                   +0 :              -0.00010471967867
                   +1 :               0.00004171052608
                   +2 :               0.00006824344115
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al(  8)  npairs=  14
              1 vec=     2.383582     -1.376162      2.510641   |vec|=    3.725400
                2s
                   +0 :              -0.00913437183933
                2p
                   -1 :               0.00397913348606
                   +0 :              -0.01053956013148
                   +1 :              -0.01054316307006
                3s
                   +0 :              -0.03279539899141
                4s
                   +0 :              -0.00226588111143
                3p
                   -1 :              -0.02073815610485
                   +0 :              -0.02761881969003
                   +1 :              -0.02439484549339
                4p
                   -1 :               0.00518010873121
                   +0 :              -0.00352414683750
                   +1 :              -0.00290443093831
                3d
                   -2 :              -0.00439048747173
                   -1 :              -0.00364874196586
                   +0 :              -0.01329163710928
                   +1 :              -0.02378495086013
                   +2 :              -0.01892559640005
              2 vec=    -5.396580      3.115717      2.510641   |vec|=    6.718191
                2s
                   +0 :               0.00174151880498
                2p
                   -1 :               0.00023009722330
                   +0 :               0.00023067232962
                   +1 :              -0.00056650410664
                3s
                   +0 :              -0.01266739275127
                4s
                   +0 :               0.00335783320460
                3p
                   -1 :              -0.00229997475721
                   +0 :              -0.00540431222051
                   +1 :               0.00872850153675
                4p
                   -1 :               0.00046266419525
                   +0 :               0.00125108985382
                   +1 :              -0.00125231800481
                3d
                   -2 :              -0.00000801244547
                   -1 :              -0.00281613202771
                   +0 :              -0.00146875685484
                   +1 :               0.00054321172711
                   +2 :              -0.00348683543847
              3 vec=    -5.396580     -5.868041      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00009958677989
                2p
                   -1 :              -0.00020543080619
                   +0 :               0.00065047950243
                   +1 :              -0.00060243100643
                3s
                   +0 :              -0.00176638042922
                4s
                   +0 :               0.00236315736211
                3p
                   -1 :               0.00131865646012
                   +0 :              -0.00920202471883
                   +1 :               0.00719288990218
                4p
                   -1 :              -0.00144301329210
                   +0 :               0.00184732203349
                   +1 :              -0.00184687232842
                3d
                   -2 :              -0.00062625314817
                   -1 :               0.00061182506616
                   +0 :               0.00149542782862
                   +1 :               0.00071385285426
                   +2 :              -0.00100437541120
              4 vec=     2.383582      7.607596      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00091686229826
                2p
                   -1 :               0.00100016001633
                   +0 :              -0.00064196355396
                   +1 :               0.00076196299247
                3s
                   +0 :               0.00251850736076
                4s
                   +0 :               0.00050342311998
                3p
                   -1 :              -0.00384167889202
                   +0 :               0.00921264010779
                   +1 :              -0.00606439133435
                4p
                   -1 :               0.00158995622000
                   +0 :              -0.00105526824735
                   +1 :               0.00068475026985
                3d
                   -2 :              -0.00231293131256
                   -1 :               0.00189391666417
                   +0 :               0.00371422509522
                   +1 :              -0.00147998057826
                   +2 :               0.00057561916369
              5 vec=     2.383582    -10.359920      2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00018118216821
                2p
                   -1 :              -0.00003565110761
                   +0 :               0.00002372058574
                   +1 :               0.00007767124962
                3s
                   +0 :              -0.00248514229763
                4s
                   +0 :               0.00035516866805
                3p
                   -1 :               0.00080075736641
                   +0 :              -0.00060614615642
                   +1 :              -0.00032343196571
                4p
                   -1 :              -0.00005969165033
                   +0 :               0.00014224139619
                   +1 :               0.00008234278902
                3d
                   -2 :               0.00016911342014
                   -1 :               0.00016842728382
                   +0 :               0.00003111627904
                   +1 :               0.00003759726527
                   +2 :              -0.00002017732044
              6 vec=    10.163745      3.115717      2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00008599851732
                2p
                   -1 :               0.00023719403835
                   +0 :              -0.00000302373041
                   +1 :               0.00021566154069
                3s
                   +0 :               0.00078053338681
                4s
                   +0 :               0.00029596086128
                3p
                   -1 :              -0.00070584181058
                   +0 :              -0.00020820481351
                   +1 :              -0.00090015295090
                4p
                   -1 :               0.00025312897343
                   +0 :               0.00017836065791
                   +1 :               0.00062109058273
                3d
                   -2 :              -0.00005243990913
                   -1 :              -0.00010710974686
                   +0 :               0.00038219253691
                   +1 :               0.00016624912594
                   +2 :              -0.00018569836136
              7 vec=    10.163745     -5.868041      2.510641   |vec|=   12.001622
                2s
                   +0 :              -0.00014524535478
                2p
                   -1 :               0.00007331639141
                   +0 :               0.00002008459021
                   +1 :              -0.00009904788868
                3s
                   +0 :               0.00096688625316
                4s
                   +0 :              -0.00060238875477
                3p
                   -1 :              -0.00020257726595
                   +0 :              -0.00025447441532
                   +1 :               0.00101112873398
                4p
                   -1 :               0.00014609691037
                   +0 :               0.00005806626096
                   +1 :              -0.00038190029775
                3d
                   -2 :              -0.00019702617660
                   -1 :               0.00012906027482
                   +0 :               0.00003028359580
                   +1 :               0.00023442426424
                   +2 :               0.00014475687655
              8 vec=   -13.176743     -1.376162      2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00000287363331
                2p
                   -1 :              -0.00001790579211
                   +0 :               0.00008029307423
                   +1 :               0.00006625723393
                3s
                   +0 :               0.00004776476399
                4s
                   +0 :               0.00011554564374
                3p
                   -1 :               0.00079095055847
                   +0 :              -0.00104631996120
                   +1 :              -0.00031927386578
                4p
                   -1 :              -0.00001584046546
                   +0 :               0.00008017361089
                   +1 :              -0.00000717105117
                3d
                   -2 :              -0.00007954146315
                   -1 :               0.00003445903399
                   +0 :              -0.00008564250235
                   +1 :               0.00026002589121
                   +2 :              -0.00001372687282
              9 vec=    -5.396580     12.099475      2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00006847881180
                2p
                   -1 :              -0.00017961320029
                   +0 :              -0.00026525076353
                   +1 :              -0.00016398538725
                3s
                   +0 :               0.00091097371893
                4s
                   +0 :              -0.00064229917877
                3p
                   -1 :               0.00167238731691
                   +0 :               0.00198445628494
                   +1 :               0.00070878065396
                4p
                   -1 :              -0.00057563431694
                   +0 :              -0.00046732370864
                   +1 :              -0.00002180499301
                3d
                   -2 :               0.00001077992231
                   -1 :               0.00031087462397
                   +0 :              -0.00006552419408
                   +1 :              -0.00022494532325
                   +2 :              -0.00031770890530
             10 vec=   -13.176743      7.607596      2.510641   |vec|=   15.420940
                2s
                   +0 :               0.00001761192383
                2p
                   -1 :              -0.00003708902808
                   +0 :              -0.00000342532899
                   +1 :              -0.00002068521677
                3s
                   +0 :              -0.00005509642468
                4s
                   +0 :              -0.00002565497439
                3p
                   -1 :               0.00023081458538
                   +0 :               0.00005503296280
                   +1 :               0.00008354307670
                4p
                   -1 :              -0.00009401459418
                   +0 :              -0.00001002544738
                   +1 :               0.00000223244463
                3d
                   -2 :               0.00000153392195
                   -1 :              -0.00003261713309
                   +0 :              -0.00003533732956
                   +1 :              -0.00007543690018
                   +2 :              -0.00007011418797
             11 vec=    -5.396580    -14.851799      2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00010810364371
                2p
                   -1 :              -0.00006253376800
                   +0 :              -0.00003481177388
                   +1 :               0.00004486345888
                3s
                   +0 :              -0.00052477576206
                4s
                   +0 :               0.00008971631917
                3p
                   -1 :               0.00023835065910
                   +0 :               0.00009041355146
                   +1 :              -0.00025475049616
                4p
                   -1 :              -0.00000588960235
                   +0 :              -0.00002826191108
                   +1 :               0.00008336421067
                3d
                   -2 :               0.00002567725553
                   -1 :              -0.00005406454776
                   +0 :              -0.00000578967182
                   +1 :              -0.00001165446165
                   +2 :               0.00004279273358
             12 vec=    10.163745     12.099475      2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00015228018930
                2p
                   -1 :              -0.00002337961385
                   +0 :              -0.00000876419211
                   +1 :              -0.00008350522898
                3s
                   +0 :               0.00067421982474
                4s
                   +0 :              -0.00020710707397
                3p
                   -1 :               0.00006831982009
                   +0 :              -0.00003111946985
                   +1 :               0.00042045027020
                4p
                   -1 :              -0.00003771347584
                   +0 :              -0.00001465546423
                   +1 :              -0.00009072277121
                3d
                   -2 :              -0.00006119311588
                   -1 :               0.00002405422457
                   +0 :              -0.00000028327489
                   +1 :              -0.00002766361443
                   +2 :               0.00003225874936
             13 vec=   -13.176743    -10.359920      2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00008105560243
                2p
                   -1 :               0.00005865894132
                   +0 :               0.00000319754305
                   +1 :               0.00000958457201
                3s
                   +0 :               0.00019537739239
                4s
                   +0 :              -0.00004486366865
                3p
                   -1 :              -0.00023338593649
                   +0 :              -0.00021238558412
                   +1 :              -0.00010193538838
                4p
                   -1 :               0.00004906886525
                   +0 :               0.00002034751302
                   +1 :              -0.00003085552855
                3d
                   -2 :               0.00006168335700
                   -1 :               0.00002984621819
                   +0 :              -0.00008905609191
                   +1 :               0.00005840739006
                   +2 :               0.00002429595913
             14 vec=     2.383582     16.591354      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00007912645580
                2p
                   -1 :               0.00000865067105
                   +0 :              -0.00000734202096
                   +1 :              -0.00003609749141
                3s
                   +0 :              -0.00021306490539
                4s
                   +0 :               0.00008403351415
                3p
                   -1 :               0.00001036494620
                   +0 :               0.00023255639038
                   +1 :               0.00022197032232
                4p
                   -1 :              -0.00000875266487
                   +0 :              -0.00002268607638
                   +1 :              -0.00008018286273
                3d
                   -2 :               0.00001138692709
                   -1 :              -0.00004551953622
                   +0 :              -0.00001346476202
                   +1 :               0.00007159296611
                   +2 :               0.00000524851378
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al(  9)  npairs=  14
              1 vec=    -0.209805      3.115717     -1.580453   |vec|=    3.499934
                2s
                   +0 :               0.04454325873249
                2p
                   -1 :               0.04282339140817
                   +0 :              -0.02821166934103
                   +1 :              -0.00194974552731
                3s
                   +0 :               0.11406327406223
                4s
                   +0 :               0.01553990494927
                3p
                   -1 :               0.06739014807397
                   +0 :              -0.05528537796226
                   +1 :              -0.02742182350390
                4p
                   -1 :               0.02373864421886
                   +0 :              -0.01250758651906
                   +1 :               0.00300051240522
                3d
                   -2 :              -0.01177800533920
                   -1 :              -0.05906354499264
                   +0 :               0.00390167431594
                   +1 :               0.00653230107315
                   +2 :              -0.03699965660478
              2 vec=    -0.209805     -5.868041     -1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00463996154744
                2p
                   -1 :              -0.00269300511433
                   +0 :              -0.00121370572763
                   +1 :               0.00072476963647
                3s
                   +0 :              -0.01054980110111
                4s
                   +0 :               0.00592777929093
                3p
                   -1 :               0.00517791835685
                   +0 :               0.00610426323931
                   +1 :              -0.01000340581975
                4p
                   -1 :              -0.00294245314770
                   +0 :              -0.00226227681700
                   +1 :               0.00160844968943
                3d
                   -2 :               0.00190965585323
                   -1 :              -0.00154362608388
                   +0 :               0.00357957837980
                   +1 :               0.00051801726168
                   +2 :               0.00144309782793
              3 vec=     7.570358     -1.376162     -1.580453   |vec|=    7.855060
                2s
                   +0 :              -0.00016139474562
                2p
                   -1 :               0.00025836226302
                   +0 :               0.00088528205241
                   +1 :               0.00023442445617
                3s
                   +0 :               0.00470327334798
                4s
                   +0 :              -0.00039022630525
                3p
                   -1 :              -0.00076087422735
                   +0 :              -0.00584013807285
                   +1 :               0.00269936282108
                4p
                   -1 :              -0.00003185707372
                   +0 :               0.00087892610443
                   +1 :               0.00013533730620
                3d
                   -2 :              -0.00007648561787
                   -1 :               0.00066331220096
                   +0 :               0.00010003846504
                   +1 :              -0.00254908212985
                   +2 :               0.00045642586910
              4 vec=    -7.989968     -1.376162     -1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00056920933394
                2p
                   -1 :              -0.00005744526080
                   +0 :              -0.00035600667745
                   +1 :               0.00012383277587
                3s
                   +0 :              -0.00479774614719
                4s
                   +0 :               0.00063657075147
                3p
                   -1 :               0.00243679425356
                   +0 :               0.00349771954798
                   +1 :              -0.00071414051108
                4p
                   -1 :              -0.00041802791375
                   +0 :              -0.00052064926927
                   +1 :              -0.00030264851259
                3d
                   -2 :               0.00062433372896
                   -1 :              -0.00070089583003
                   +0 :              -0.00055171030835
                   +1 :               0.00038218972946
                   +2 :               0.00187240369225
              5 vec=     7.570358      7.607596     -1.580453   |vec|=   10.848210
                2s
                   +0 :              -0.00030661578725
                2p
                   -1 :              -0.00030181875758
                   +0 :              -0.00017939652480
                   +1 :              -0.00014228135874
                3s
                   +0 :               0.00173756547500
                4s
                   +0 :              -0.00059680683499
                3p
                   -1 :               0.00096578733050
                   +0 :              -0.00028215315124
                   +1 :               0.00104580521753
                4p
                   -1 :              -0.00047754876941
                   +0 :               0.00031958774163
                   +1 :              -0.00021418379050
                3d
                   -2 :               0.00066043468200
                   -1 :               0.00004987863262
                   +0 :               0.00005601901827
                   +1 :              -0.00013814262434
                   +2 :              -0.00027184983569
              6 vec=    -7.989968      7.607596     -1.580453   |vec|=   11.145086
                2s
                   +0 :               0.00029161774564
                2p
                   -1 :               0.00031538547342
                   +0 :               0.00008489580161
                   +1 :               0.00011187071846
                3s
                   +0 :              -0.00049533715998
                4s
                   +0 :              -0.00069939117425
                3p
                   -1 :              -0.00205735831251
                   +0 :              -0.00040183507757
                   +1 :              -0.00148942730548
                4p
                   -1 :               0.00006495709382
                   +0 :               0.00024938401843
                   +1 :               0.00070117048408
                3d
                   -2 :               0.00035706185642
                   -1 :               0.00019911436429
                   +0 :              -0.00042764996093
                   +1 :               0.00033685354491
                   +2 :               0.00071565531586
              7 vec=    -0.209805     12.099475     -1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00023513305521
                2p
                   -1 :              -0.00000378609517
                   +0 :               0.00014022942686
                   +1 :               0.00006796407915
                3s
                   +0 :               0.00184572635202
                4s
                   +0 :              -0.00023629323501
                3p
                   -1 :               0.00083262147539
                   +0 :              -0.00148552390282
                   +1 :              -0.00023587491483
                4p
                   -1 :              -0.00014017010341
                   +0 :               0.00021143185857
                   +1 :               0.00024252639407
                3d
                   -2 :               0.00004230898487
                   -1 :              -0.00027613827458
                   +0 :               0.00003279561662
                   +1 :              -0.00012031256879
                   +2 :              -0.00001465343437
              8 vec=     7.570358    -10.359920     -1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00025570404745
                2p
                   -1 :               0.00013251918009
                   +0 :               0.00008041888866
                   +1 :              -0.00000382304676
                3s
                   +0 :              -0.00228049406862
                4s
                   +0 :               0.00036856386873
                3p
                   -1 :              -0.00098288037701
                   +0 :               0.00045907512872
                   +1 :              -0.00123429360197
                4p
                   -1 :               0.00018696819112
                   +0 :              -0.00002777833608
                   +1 :               0.00004231328504
                3d
                   -2 :              -0.00025468153628
                   -1 :               0.00021093175200
                   +0 :              -0.00011252135490
                   +1 :               0.00042164210394
                   +2 :              -0.00046232362842
              9 vec=    -7.989968    -10.359920     -1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00028160403440
                2p
                   -1 :              -0.00016089391920
                   +0 :              -0.00012866859855
                   +1 :              -0.00000358705663
                3s
                   +0 :              -0.00255060610231
                4s
                   +0 :               0.00016010441622
                3p
                   -1 :               0.00100381377496
                   +0 :               0.00192227832260
                   +1 :               0.00080712818132
                4p
                   -1 :              -0.00012811501519
                   +0 :              -0.00021799585940
                   +1 :               0.00007192633950
                3d
                   -2 :              -0.00019047786788
                   -1 :              -0.00041921781366
                   +0 :              -0.00019114010849
                   +1 :              -0.00051114601749
                   +2 :              -0.00004571409904
             10 vec=    -0.209805    -14.851799     -1.580453   |vec|=   14.937128
                2s
                   +0 :               0.00026860945807
                2p
                   -1 :              -0.00005257890411
                   +0 :               0.00001253293720
                   +1 :              -0.00003455262632
                3s
                   +0 :              -0.00164174712770
                4s
                   +0 :               0.00034000432706
                3p
                   -1 :               0.00037762531443
                   +0 :               0.00013430932376
                   +1 :               0.00026122501706
                4p
                   -1 :              -0.00009079908634
                   +0 :              -0.00001445971456
                   +1 :              -0.00002881055975
                3d
                   -2 :              -0.00004208478563
                   -1 :               0.00003224494606
                   +0 :              -0.00008416275791
                   +1 :              -0.00005811883437
                   +2 :               0.00000361208615
             11 vec=    15.350520      3.115717     -1.580453   |vec|=   15.743062
                2s
                   +0 :               0.00000521515172
                2p
                   -1 :              -0.00005764460472
                   +0 :              -0.00002530808891
                   +1 :               0.00001459283257
                3s
                   +0 :               0.00011778774427
                4s
                   +0 :              -0.00000060069667
                3p
                   -1 :               0.00031362008876
                   +0 :               0.00011697914687
                   +1 :               0.00008647597594
                4p
                   -1 :              -0.00006089908919
                   +0 :              -0.00000253974130
                   +1 :              -0.00001683764066
                3d
                   -2 :               0.00004220485512
                   -1 :               0.00001277894467
                   +0 :              -0.00000378020604
                   +1 :               0.00000381906471
                   +2 :               0.00005488342454
             12 vec=   -15.770130      3.115717     -1.580453   |vec|=   16.152478
                2s
                   +0 :              -0.00004319396520
                2p
                   -1 :               0.00000101019825
                   +0 :              -0.00001438594694
                   +1 :              -0.00001669886307
                3s
                   +0 :               0.00026962600761
                4s
                   +0 :              -0.00004633851755
                3p
                   -1 :              -0.00014626057580
                   +0 :               0.00013193446234
                   +1 :              -0.00000137428137
                4p
                   -1 :              -0.00001128597233
                   +0 :              -0.00003812398730
                   +1 :              -0.00000607958592
                3d
                   -2 :               0.00006434053953
                   -1 :               0.00006766590470
                   +0 :               0.00000803901928
                   +1 :              -0.00003728929911
                   +2 :              -0.00007874720573
             13 vec=    15.350520     -5.868041     -1.580453   |vec|=   16.509700
                2s
                   +0 :               0.00011396695797
                2p
                   -1 :              -0.00001290310170
                   +0 :              -0.00002118553864
                   +1 :               0.00001680295356
                3s
                   +0 :              -0.00061034517308
                4s
                   +0 :               0.00010461791881
                3p
                   -1 :               0.00013089458561
                   +0 :               0.00023179479633
                   +1 :              -0.00016668674787
                4p
                   -1 :              -0.00000101441269
                   +0 :              -0.00003206179743
                   +1 :               0.00001767780062
                3d
                   -2 :              -0.00000509051259
                   -1 :              -0.00006869083974
                   +0 :              -0.00002243104545
                   +1 :               0.00006740040721
                   +2 :               0.00000165665055
             14 vec=   -15.770130     -5.868041     -1.580453   |vec|=   16.900555
                2s
                   +0 :               0.00001664945402
                2p
                   -1 :              -0.00001923787887
                   +0 :               0.00001985566789
                   +1 :               0.00002213415163
                3s
                   +0 :              -0.00010970199230
                4s
                   +0 :               0.00004289537282
                3p
                   -1 :               0.00006119096611
                   +0 :              -0.00009661414131
                   +1 :              -0.00013642150224
                4p
                   -1 :              -0.00003803884073
                   +0 :               0.00004080359819
                   +1 :               0.00003221220583
                3d
                   -2 :               0.00001646142257
                   -1 :              -0.00001845464279
                   +0 :              -0.00000769246137
                   +1 :               0.00000324115608
                   +2 :               0.00001426726774
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al( 10)  npairs=  14
              1 vec=    -0.209805      3.115717      5.671873   |vec|=    6.474709
                2s
                   +0 :              -0.00186176927046
                2p
                   -1 :              -0.00054350946454
                   +0 :              -0.00160157692980
                   +1 :               0.00003224538161
                3s
                   +0 :               0.00503800755776
                4s
                   +0 :              -0.00350895316624
                3p
                   -1 :               0.00253065028369
                   +0 :               0.01333127443610
                   +1 :              -0.00042370674670
                4p
                   -1 :              -0.00027624818526
                   +0 :              -0.00496691605205
                   +1 :              -0.00012432478685
                3d
                   -2 :              -0.00051148356906
                   -1 :               0.00197482990639
                   +0 :               0.00406320194130
                   +1 :               0.00118705960019
                   +2 :              -0.00172785231982
              2 vec=    -0.209805     -5.868041      5.671873   |vec|=    8.163827
                2s
                   +0 :              -0.00009921724385
                2p
                   -1 :               0.00021907402034
                   +0 :               0.00061626082816
                   +1 :              -0.00021420536466
                3s
                   +0 :              -0.00628815365692
                4s
                   +0 :              -0.00014552475210
                3p
                   -1 :               0.00285048993484
                   +0 :              -0.00164819962798
                   +1 :               0.00177937862881
                4p
                   -1 :               0.00039360988952
                   +0 :               0.00078468554636
                   +1 :              -0.00023383076271
                3d
                   -2 :              -0.00041539911331
                   -1 :              -0.00037266362525
                   +0 :               0.00158180556366
                   +1 :              -0.00007738307231
                   +2 :               0.00086855462939
              3 vec=     7.570358     -1.376162      5.671873   |vec|=    9.558990
                2s
                   +0 :               0.00093541389433
                2p
                   -1 :              -0.00020470613386
                   +0 :               0.00026701457675
                   +1 :               0.00077430866756
                3s
                   +0 :              -0.00468704826638
                4s
                   +0 :               0.00114848974094
                3p
                   -1 :               0.00177112204773
                   +0 :              -0.00081646991626
                   +1 :              -0.00454754297967
                4p
                   -1 :              -0.00080346753429
                   +0 :              -0.00011343789110
                   +1 :               0.00102105712782
                3d
                   -2 :              -0.00039680877861
                   -1 :               0.00027436842030
                   +0 :               0.00027959029092
                   +1 :              -0.00067158234041
                   +2 :              -0.00048245236627
              4 vec=    -7.989968     -1.376162      5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00040156457842
                2p
                   -1 :               0.00002742479902
                   +0 :               0.00026286630903
                   +1 :              -0.00031062727812
                3s
                   +0 :              -0.00028949911515
                4s
                   +0 :              -0.00014598147252
                3p
                   -1 :               0.00188950873120
                   +0 :              -0.00241868554706
                   +1 :               0.00162589499232
                4p
                   -1 :               0.00008710637312
                   +0 :              -0.00013740205008
                   +1 :               0.00000930178671
                3d
                   -2 :               0.00005443488091
                   -1 :              -0.00059959398702
                   +0 :              -0.00071461217627
                   +1 :               0.00128196789489
                   +2 :              -0.00144475771347
              5 vec=     7.570358      7.607596      5.671873   |vec|=   12.139027
                2s
                   +0 :               0.00025263645616
                2p
                   -1 :              -0.00012976317535
                   +0 :               0.00007562932870
                   +1 :               0.00020789954694
                3s
                   +0 :               0.00041546111267
                4s
                   +0 :               0.00016303868935
                3p
                   -1 :               0.00121786319437
                   +0 :              -0.00000773465952
                   +1 :              -0.00048133180461
                4p
                   -1 :              -0.00039050788566
                   +0 :               0.00010215837574
                   +1 :               0.00028719544887
                3d
                   -2 :               0.00025532364058
                   -1 :               0.00010267228391
                   +0 :              -0.00002022431768
                   +1 :              -0.00008572147106
                   +2 :              -0.00016507626756
              6 vec=    -7.989968      7.607596      5.671873   |vec|=   12.405049
                2s
                   +0 :               0.00000250397747
                2p
                   -1 :               0.00006584808684
                   +0 :               0.00001569263559
                   +1 :               0.00012038412911
                3s
                   +0 :               0.00008689399370
                4s
                   +0 :               0.00016119847333
                3p
                   -1 :              -0.00010588560992
                   +0 :              -0.00051136890998
                   +1 :              -0.00064536164653
                4p
                   -1 :               0.00018056763932
                   +0 :               0.00015474269158
                   +1 :               0.00011312672450
                3d
                   -2 :              -0.00019852021918
                   -1 :              -0.00014179974127
                   +0 :              -0.00015743963381
                   +1 :               0.00004724219636
                   +2 :               0.00011699158332
              7 vec=    -0.209805     12.099475      5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00012726171851
                2p
                   -1 :              -0.00008382721017
                   +0 :              -0.00003701077931
                   +1 :              -0.00006441324455
                3s
                   +0 :              -0.00026177118658
                4s
                   +0 :               0.00015915602961
                3p
                   -1 :               0.00060031517304
                   +0 :               0.00053073153544
                   +1 :               0.00005130011871
                4p
                   -1 :              -0.00004822421605
                   +0 :              -0.00014892139339
                   +1 :              -0.00000478157472
                3d
                   -2 :               0.00028651478577
                   -1 :               0.00022432764599
                   +0 :               0.00007392696122
                   +1 :               0.00005464770266
                   +2 :              -0.00019510979969
              8 vec=     7.570358    -10.359920      5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00027622000119
                2p
                   -1 :               0.00018382681909
                   +0 :               0.00002059723838
                   +1 :               0.00009383762947
                3s
                   +0 :               0.00157731403965
                4s
                   +0 :               0.00000833587356
                3p
                   -1 :              -0.00124310458845
                   +0 :              -0.00022844739532
                   +1 :              -0.00102178854861
                4p
                   -1 :               0.00002328574849
                   +0 :               0.00017478710080
                   +1 :               0.00019691436790
                3d
                   -2 :               0.00028362502426
                   -1 :              -0.00000567885032
                   +0 :              -0.00018934437739
                   +1 :              -0.00004147286657
                   +2 :              -0.00022099895822
              9 vec=    -7.989968    -10.359920      5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00009229664961
                2p
                   -1 :               0.00000740122878
                   +0 :              -0.00009187224920
                   +1 :               0.00005098641959
                3s
                   +0 :               0.00097929023986
                4s
                   +0 :               0.00004454834751
                3p
                   -1 :              -0.00026802784645
                   +0 :               0.00070862172145
                   +1 :               0.00033930947838
                4p
                   -1 :              -0.00002055239830
                   +0 :               0.00002249302145
                   +1 :              -0.00006846864686
                3d
                   -2 :              -0.00005459556237
                   -1 :              -0.00028218549561
                   +0 :               0.00004266123019
                   +1 :              -0.00002587806133
                   +2 :              -0.00003540828583
             10 vec=    -0.209805    -14.851799      5.671873   |vec|=   15.899374
                2s
                   +0 :              -0.00013735804445
                2p
                   -1 :               0.00009757892655
                   +0 :              -0.00000972892830
                   +1 :              -0.00000761094507
                3s
                   +0 :               0.00030072955944
                4s
                   +0 :              -0.00013629772839
                3p
                   -1 :              -0.00045004689770
                   +0 :              -0.00008470451297
                   +1 :              -0.00000911863743
                4p
                   -1 :               0.00012201116922
                   +0 :               0.00005683691030
                   +1 :              -0.00001253822153
                3d
                   -2 :              -0.00000689995777
                   -1 :              -0.00005853931353
                   +0 :              -0.00003326716331
                   +1 :              -0.00000411351526
                   +2 :              -0.00008734420609
             11 vec=    15.350520      3.115717      5.671873   |vec|=   16.658821
                2s
                   +0 :               0.00000224508719
                2p
                   -1 :              -0.00001476641101
                   +0 :              -0.00002778610363
                   +1 :              -0.00002084031568
                3s
                   +0 :               0.00008467179779
                4s
                   +0 :               0.00004992697143
                3p
                   -1 :               0.00019045721679
                   +0 :               0.00014103868858
                   +1 :               0.00012793109465
                4p
                   -1 :              -0.00004407874746
                   +0 :               0.00000026868468
                   +1 :               0.00001619613470
                3d
                   -2 :               0.00003909167118
                   -1 :               0.00000892581509
                   +0 :               0.00000422454591
                   +1 :               0.00005693373171
                   +2 :               0.00004542604181
             12 vec=   -15.770130      3.115717      5.671873   |vec|=   17.046256
                2s
                   +0 :               0.00003784016593
                2p
                   -1 :               0.00003234895928
                   +0 :              -0.00000973427413
                   +1 :               0.00002250459411
                3s
                   +0 :              -0.00035494851488
                4s
                   +0 :              -0.00001725476348
                3p
                   -1 :              -0.00033618550008
                   +0 :               0.00003205359573
                   +1 :               0.00001020910806
                4p
                   -1 :               0.00003745527512
                   +0 :              -0.00001271579348
                   +1 :               0.00005299016384
                3d
                   -2 :               0.00006631066549
                   -1 :              -0.00003346021418
                   +0 :               0.00004527212548
                   +1 :              -0.00005084679966
                   +2 :               0.00002244355089
             13 vec=    15.350520     -5.868041      5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00006663381953
                2p
                   -1 :              -0.00003059967630
                   +0 :              -0.00001631722759
                   +1 :              -0.00002000532612
                3s
                   +0 :               0.00029577644991
                4s
                   +0 :              -0.00000994269339
                3p
                   -1 :               0.00025044034034
                   +0 :               0.00013428527431
                   +1 :               0.00010288496378
                4p
                   -1 :              -0.00005663714588
                   +0 :              -0.00000520497840
                   +1 :              -0.00000127008939
                3d
                   -2 :               0.00002684493960
                   -1 :               0.00001491401885
                   +0 :              -0.00001065152174
                   +1 :               0.00002955715503
                   +2 :              -0.00000251851299
             14 vec=   -15.770130     -5.868041      5.671873   |vec|=   17.756719
                2s
                   +0 :              -0.00009317759289
                2p
                   -1 :               0.00003652569143
                   +0 :               0.00000622557241
                   +1 :              -0.00000679316633
                3s
                   +0 :               0.00071135773880
                4s
                   +0 :              -0.00012904556042
                3p
                   -1 :              -0.00018121619916
                   +0 :              -0.00000587254447
                   +1 :              -0.00021289939962
                4p
                   -1 :               0.00005279733771
                   +0 :              -0.00001844873156
                   +1 :               0.00003929638485
                3d
                   -2 :               0.00004953156360
                   -1 :               0.00006157344647
                   +0 :               0.00004877288556
                   +1 :              -0.00000193476562
                   +2 :              -0.00000097720362
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al( 11)  npairs=  13
              1 vec=    -0.209805      3.115717     -6.601898   |vec|=    7.303202
                2s
                   +0 :              -0.00213599093761
                2p
                   -1 :              -0.00045691019286
                   +0 :               0.00144351000675
                   +1 :               0.00013606975789
                3s
                   +0 :               0.00894036442353
                4s
                   +0 :              -0.00344402509044
                3p
                   -1 :               0.00414694061269
                   +0 :              -0.00299269923674
                   +1 :              -0.00153023725458
                4p
                   -1 :              -0.00144493979267
                   +0 :               0.00174124640279
                   +1 :              -0.00018717842531
                3d
                   -2 :              -0.00125033258576
                   -1 :               0.00110427019159
                   +0 :              -0.00111244743248
                   +1 :               0.00048470074118
                   +2 :               0.00033300158602
              2 vec=    -0.209805     -5.868041     -6.601898   |vec|=    8.835326
                2s
                   +0 :               0.00162531270388
                2p
                   -1 :               0.00020676725779
                   +0 :              -0.00023353489926
                   +1 :               0.00017449424106
                3s
                   +0 :              -0.01691463128062
                4s
                   +0 :               0.00173725916650
                3p
                   -1 :               0.00507371844826
                   +0 :               0.00832960776704
                   +1 :              -0.00102201007010
                4p
                   -1 :               0.00067266390676
                   +0 :              -0.00035598291451
                   +1 :               0.00025811010906
                3d
                   -2 :               0.00030187552175
                   -1 :              -0.00265619287986
                   +0 :              -0.00056095888454
                   +1 :               0.00006923218787
                   +2 :               0.00192450907124
              3 vec=     7.570358     -1.376162     -6.601898   |vec|=   10.138500
                2s
                   +0 :               0.00108400748160
                2p
                   -1 :              -0.00027395139304
                   +0 :              -0.00039061164161
                   +1 :               0.00076016087622
                3s
                   +0 :              -0.00482810901897
                4s
                   +0 :               0.00236488708059
                3p
                   -1 :               0.00148340505514
                   +0 :               0.00336858628376
                   +1 :              -0.00439437509291
                4p
                   -1 :              -0.00043829978649
                   +0 :              -0.00097808874085
                   +1 :               0.00157396817669
                3d
                   -2 :               0.00037691665182
                   -1 :              -0.00043102128155
                   +0 :               0.00036290266946
                   +1 :               0.00084891805125
                   +2 :              -0.00084063977043
              4 vec=    -7.989968     -1.376162     -6.601898   |vec|=   10.455547
                2s
                   +0 :               0.00049187759001
                2p
                   -1 :              -0.00004654980582
                   +0 :              -0.00000477330278
                   +1 :              -0.00037987334522
                3s
                   +0 :              -0.00269535085548
                4s
                   +0 :               0.00090775299906
                3p
                   -1 :               0.00031976310719
                   +0 :               0.00106631754941
                   +1 :               0.00279520583350
                4p
                   -1 :              -0.00013338288161
                   +0 :              -0.00023748956450
                   +1 :              -0.00081178240033
                3d
                   -2 :              -0.00000817291286
                   -1 :               0.00040439515644
                   +0 :               0.00025618544524
                   +1 :              -0.00067627261724
                   +2 :              -0.00025015049445
              5 vec=     7.570358      7.607596     -6.601898   |vec|=   12.600432
                2s
                   +0 :              -0.00010785753077
                2p
                   -1 :               0.00016459206383
                   +0 :               0.00013639777288
                   +1 :               0.00007301010689
                3s
                   +0 :               0.00165619436381
                4s
                   +0 :              -0.00048923391228
                3p
                   -1 :              -0.00067918104398
                   +0 :              -0.00133873885801
                   +1 :               0.00031958146330
                4p
                   -1 :               0.00025564493023
                   +0 :               0.00027692376014
                   +1 :              -0.00002722333706
                3d
                   -2 :               0.00007294792411
                   -1 :              -0.00011052261203
                   +0 :               0.00027741225674
                   +1 :              -0.00024680561892
                   +2 :              -0.00001347336432
              6 vec=    -7.989968      7.607596     -6.601898   |vec|=   12.856911
                2s
                   +0 :              -0.00011761456060
                2p
                   -1 :               0.00003503406323
                   +0 :              -0.00013124588979
                   +1 :              -0.00006971233785
                3s
                   +0 :               0.00120080462078
                4s
                   +0 :              -0.00007660752376
                3p
                   -1 :               0.00000671388359
                   +0 :              -0.00011722624347
                   +1 :              -0.00009130021937
                4p
                   -1 :               0.00001165194054
                   +0 :              -0.00001949967887
                   +1 :              -0.00013840916507
                3d
                   -2 :              -0.00019086465339
                   -1 :               0.00001539947519
                   +0 :              -0.00013726496383
                   +1 :               0.00001322390757
                   +2 :               0.00004739446557
              7 vec=    -0.209805     12.099475     -6.601898   |vec|=   13.785005
                2s
                   +0 :              -0.00009109915100
                2p
                   -1 :              -0.00015381407523
                   +0 :              -0.00000700141823
                   +1 :               0.00022537212498
                3s
                   +0 :               0.00114659332690
                4s
                   +0 :              -0.00064217239521
                3p
                   -1 :               0.00146058719519
                   +0 :              -0.00015061481250
                   +1 :              -0.00080810001725
                4p
                   -1 :              -0.00064440683709
                   +0 :               0.00016451548851
                   +1 :               0.00013041622013
                3d
                   -2 :               0.00012106187609
                   -1 :              -0.00002357988888
                   +0 :              -0.00003398931153
                   +1 :               0.00000028811866
                   +2 :              -0.00017106194238
              8 vec=     7.570358    -10.359920     -6.601898   |vec|=   14.429945
                2s
                   +0 :               0.00021369162728
                2p
                   -1 :              -0.00006443055207
                   +0 :              -0.00013682380693
                   +1 :              -0.00006033798361
                3s
                   +0 :              -0.00101194913663
                4s
                   +0 :               0.00017273713267
                3p
                   -1 :               0.00019997599187
                   +0 :               0.00066225605896
                   +1 :               0.00025047884469
                4p
                   -1 :              -0.00002269818552
                   +0 :              -0.00010663358452
                   +1 :              -0.00016986020969
                3d
                   -2 :              -0.00010979230127
                   -1 :              -0.00009113154261
                   +0 :              -0.00004717595297
                   +1 :              -0.00002588772673
                   +2 :               0.00000300442361
              9 vec=    -7.989968    -10.359920     -6.601898   |vec|=   14.654439
                2s
                   +0 :              -0.00002235626778
                2p
                   -1 :               0.00005951008383
                   +0 :               0.00004041080281
                   +1 :              -0.00001150259641
                3s
                   +0 :              -0.00035260690955
                4s
                   +0 :               0.00009641401262
                3p
                   -1 :              -0.00024238119852
                   +0 :              -0.00019504096271
                   +1 :               0.00013134669997
                4p
                   -1 :               0.00005976593781
                   +0 :               0.00001326322819
                   +1 :              -0.00004838401003
                3d
                   -2 :               0.00000349487767
                   -1 :               0.00005142744038
                   +0 :              -0.00008855614418
                   +1 :              -0.00000049156644
                   +2 :              -0.00003565091205
             10 vec=    -0.209805    -14.851799     -6.601898   |vec|=   16.254384
                2s
                   +0 :               0.00022352572703
                2p
                   -1 :              -0.00006590223110
                   +0 :              -0.00007095380317
                   +1 :              -0.00002550590509
                3s
                   +0 :              -0.00098706588563
                4s
                   +0 :               0.00017156362441
                3p
                   -1 :               0.00027351471446
                   +0 :               0.00036411683248
                   +1 :               0.00018682792350
                4p
                   -1 :              -0.00000931701610
                   +0 :              -0.00006302553124
                   +1 :              -0.00005914453696
                3d
                   -2 :              -0.00002405064809
                   -1 :              -0.00008431913981
                   +0 :              -0.00006219729336
                   +1 :               0.00000067078661
                   +2 :               0.00001451752384
             11 vec=    15.350520      3.115717     -6.601898   |vec|=   16.997977
                2s
                   +0 :              -0.00005180072877
                2p
                   -1 :              -0.00002646604225
                   +0 :               0.00002638529765
                   +1 :              -0.00002542603257
                3s
                   +0 :               0.00032860139433
                4s
                   +0 :              -0.00007385408581
                3p
                   -1 :               0.00014713056488
                   +0 :              -0.00016597909812
                   +1 :               0.00017134316813
                4p
                   -1 :              -0.00003102023802
                   +0 :               0.00002616325270
                   +1 :              -0.00003559103919
                3d
                   -2 :               0.00002869755754
                   -1 :              -0.00003303263319
                   +0 :              -0.00000616447535
                   +1 :              -0.00002352464745
                   +2 :              -0.00002995629990
             12 vec=   -15.770130      3.115717     -6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00006083925379
                2p
                   -1 :              -0.00000411147100
                   +0 :               0.00004045236761
                   +1 :               0.00002205927106
                3s
                   +0 :               0.00013405710069
                4s
                   +0 :              -0.00005470150506
                3p
                   -1 :              -0.00003450196705
                   +0 :              -0.00020127041393
                   +1 :              -0.00007234328112
                4p
                   -1 :               0.00000232623530
                   +0 :               0.00004937319159
                   +1 :               0.00001747047711
                3d
                   -2 :              -0.00000827944141
                   -1 :              -0.00002521934579
                   +0 :               0.00001275247382
                   +1 :               0.00003694093838
                   +2 :              -0.00003793523483
             13 vec=    15.350520     -5.868041     -6.601898   |vec|=   17.710376
                2s
                   +0 :               0.00002299713334
                2p
                   -1 :              -0.00001865711619
                   +0 :               0.00000491694084
                   +1 :               0.00000739025565
                3s
                   +0 :              -0.00014286407617
                4s
                   +0 :               0.00007378458779
                3p
                   -1 :               0.00015875385822
                   +0 :               0.00000964631957
                   +1 :              -0.00007008363350
                4p
                   -1 :              -0.00007458968559
                   +0 :              -0.00001783701295
                   +1 :               0.00002536731488
                3d
                   -2 :               0.00002254000738
                   -1 :               0.00001766689822
                   +0 :              -0.00001256711286
                   +1 :              -0.00002198331051
                   +2 :              -0.00000143419821
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site Al( 12)  npairs=  15
              1 vec=    -0.209805      3.115717     10.693319   |vec|=   11.139963
                2s
                   +0 :               0.00090465278063
                2p
                   -1 :               0.00003171212775
                   +0 :               0.00027728129256
                   +1 :               0.00016253555310
                3s
                   +0 :              -0.00315568176028
                4s
                   +0 :               0.00070385939273
                3p
                   -1 :              -0.00063221017659
                   +0 :              -0.00137732565027
                   +1 :              -0.00095372256115
                4p
                   -1 :               0.00003153452732
                   +0 :               0.00030127417429
                   +1 :               0.00009965377948
                3d
                   -2 :               0.00030625962599
                   -1 :              -0.00030406480796
                   +0 :               0.00036152815726
                   +1 :              -0.00014385870432
                   +2 :               0.00007670750310
              2 vec=    -0.209805     -5.868041     10.693319   |vec|=   12.199385
                2s
                   +0 :              -0.00016431537123
                2p
                   -1 :               0.00013201681265
                   +0 :              -0.00007345075284
                   +1 :              -0.00030145181580
                3s
                   +0 :               0.00085930550680
                4s
                   +0 :               0.00002055705851
                3p
                   -1 :              -0.00092226335251
                   +0 :               0.00085867128705
                   +1 :               0.00229350032724
                4p
                   -1 :               0.00017462943863
                   +0 :              -0.00000405964606
                   +1 :              -0.00046224897817
                3d
                   -2 :              -0.00020510395769
                   -1 :              -0.00032781142801
                   +0 :               0.00038256814133
                   +1 :               0.00047475259700
                   +2 :              -0.00029626371388
              3 vec=     7.570358     -1.376162     10.693319   |vec|=   13.173883
                2s
                   +0 :               0.00027437788530
                2p
                   -1 :               0.00007482139143
                   +0 :               0.00014928695557
                   +1 :               0.00024977410055
                3s
                   +0 :               0.00031106497025
                4s
                   +0 :               0.00003692358200
                3p
                   -1 :              -0.00082398076492
                   +0 :               0.00028202725007
                   +1 :              -0.00041892027542
                4p
                   -1 :               0.00024130650239
                   +0 :               0.00002291713950
                   +1 :               0.00014700968445
                3d
                   -2 :              -0.00016839177931
                   -1 :              -0.00012890940096
                   +0 :              -0.00000463032619
                   +1 :               0.00004787437322
                   +2 :              -0.00001183144331
              4 vec=    -7.989968     -1.376162     10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00002791613002
                2p
                   -1 :              -0.00031531658466
                   +0 :               0.00009495863534
                   +1 :              -0.00020629465864
                3s
                   +0 :               0.00019292489748
                4s
                   +0 :              -0.00019498142665
                3p
                   -1 :               0.00215993742839
                   +0 :              -0.00043055779679
                   +1 :               0.00128747077629
                4p
                   -1 :              -0.00033518027166
                   +0 :               0.00007970452155
                   +1 :              -0.00024073771008
                3d
                   -2 :               0.00011800450475
                   -1 :               0.00032087354227
                   +0 :              -0.00029325961387
                   +1 :               0.00025476789871
                   +2 :              -0.00023932537000
              5 vec=    -0.209805      3.115717    -13.854224   |vec|=   14.201804
                2s
                   +0 :               0.00012514922295
                2p
                   -1 :               0.00006456860329
                   +0 :               0.00000432723970
                   +1 :               0.00000853490887
                3s
                   +0 :              -0.00005301604302
                4s
                   +0 :              -0.00000671701215
                3p
                   -1 :              -0.00032369329098
                   +0 :              -0.00013627941695
                   +1 :              -0.00011598538991
                4p
                   -1 :               0.00007292691168
                   +0 :               0.00007748044573
                   +1 :               0.00004917877889
                3d
                   -2 :               0.00001348794940
                   -1 :              -0.00003799859732
                   +0 :               0.00002146541425
                   +1 :              -0.00000600644516
                   +2 :              -0.00001507763510
              6 vec=    -0.209805     -5.868041    -13.854224   |vec|=   15.047174
                2s
                   +0 :              -0.00003994220868
                2p
                   -1 :               0.00002445026214
                   +0 :              -0.00003200075817
                   +1 :               0.00000129601937
                3s
                   +0 :               0.00012872783949
                4s
                   +0 :               0.00004347674558
                3p
                   -1 :              -0.00031615526739
                   +0 :               0.00016185484273
                   +1 :              -0.00006107584212
                4p
                   -1 :               0.00000456653026
                   +0 :              -0.00008803787042
                   +1 :               0.00001603486901
                3d
                   -2 :               0.00003981982868
                   -1 :              -0.00000268004421
                   +0 :              -0.00002783811589
                   +1 :               0.00001786005274
                   +2 :              -0.00006364605981
              7 vec=     7.570358      7.607596     10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00006869040720
                2p
                   -1 :               0.00003906940377
                   +0 :               0.00007713529378
                   +1 :               0.00001179895173
                3s
                   +0 :              -0.00023926014529
                4s
                   +0 :               0.00018042221977
                3p
                   -1 :              -0.00013979459035
                   +0 :              -0.00036087506413
                   +1 :              -0.00026723918443
                4p
                   -1 :               0.00005578526478
                   +0 :               0.00010589957875
                   +1 :               0.00010397762755
                3d
                   -2 :              -0.00008047899109
                   -1 :              -0.00001012630130
                   +0 :              -0.00008370017570
                   +1 :              -0.00009696207199
                   +2 :              -0.00003300144545
              8 vec=    -7.989968      7.607596     10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00006739624982
                2p
                   -1 :               0.00002143277198
                   +0 :               0.00002232644525
                   +1 :              -0.00003630492866
                3s
                   +0 :              -0.00065508204811
                4s
                   +0 :               0.00021263160317
                3p
                   -1 :              -0.00028157248502
                   +0 :              -0.00024191388686
                   +1 :               0.00040234310430
                4p
                   -1 :               0.00011603366480
                   +0 :               0.00006746583004
                   +1 :              -0.00012393214423
                3d
                   -2 :               0.00004565545973
                   -1 :              -0.00003923925776
                   +0 :              -0.00002720329350
                   +1 :               0.00004352445972
                   +2 :              -0.00000496262387
              9 vec=     7.570358     -1.376162    -13.854224   |vec|=   15.847513
                2s
                   +0 :              -0.00006928627837
                2p
                   -1 :               0.00000169571622
                   +0 :               0.00007661151084
                   +1 :              -0.00002178851396
                3s
                   +0 :               0.00018187109072
                4s
                   +0 :              -0.00010790966773
                3p
                   -1 :              -0.00006986700031
                   +0 :              -0.00048002787369
                   +1 :              -0.00008073087269
                4p
                   -1 :              -0.00002875041600
                   +0 :               0.00015580938935
                   +1 :              -0.00000813885243
                3d
                   -2 :              -0.00007210789729
                   -1 :               0.00003123403874
                   +0 :               0.00011827164541
                   +1 :              -0.00000511925777
                   +2 :              -0.00004982006623
             10 vec=    -7.989968     -1.376162    -13.854224   |vec|=   16.052194
                2s
                   +0 :              -0.00007605987195
                2p
                   -1 :               0.00003892219840
                   +0 :               0.00003753286316
                   +1 :               0.00001572164554
                3s
                   +0 :              -0.00005660951381
                4s
                   +0 :              -0.00004176070162
                3p
                   -1 :              -0.00030051529096
                   +0 :              -0.00009898313482
                   +1 :               0.00017264435530
                4p
                   -1 :               0.00001120746626
                   +0 :               0.00000686708064
                   +1 :              -0.00003179019058
                3d
                   -2 :               0.00003771569899
                   -1 :              -0.00000976740523
                   +0 :               0.00008240869469
                   +1 :               0.00002192220858
                   +2 :              -0.00001822895062
             11 vec=    -0.209805     12.099475     10.693319   |vec|=   16.148943
                2s
                   +0 :               0.00032182832036
                2p
                   -1 :               0.00009866599625
                   +0 :               0.00011786001851
                   +1 :              -0.00003631939225
                3s
                   +0 :              -0.00096418451986
                4s
                   +0 :               0.00030400722073
                3p
                   -1 :              -0.00017378254705
                   +0 :              -0.00044832301442
                   +1 :               0.00017912859653
                4p
                   -1 :               0.00003984228024
                   +0 :               0.00012049450998
                   +1 :              -0.00004147204500
                3d
                   -2 :               0.00010112739132
                   -1 :              -0.00004854178173
                   +0 :              -0.00002545817232
                   +1 :               0.00001723155651
                   +2 :               0.00000635334975
             12 vec=     7.570358    -10.359920     10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00002931075454
                2p
                   -1 :              -0.00000885442148
                   +0 :              -0.00000523527587
                   +1 :               0.00003943871972
                3s
                   +0 :              -0.00010332935494
                4s
                   +0 :              -0.00001654470343
                3p
                   -1 :               0.00005029954844
                   +0 :              -0.00014024493190
                   +1 :              -0.00040148008061
                4p
                   -1 :              -0.00002048492024
                   +0 :               0.00001956497769
                   +1 :               0.00004175558354
                3d
                   -2 :               0.00004894625900
                   -1 :               0.00003898201415
                   +0 :              -0.00008658728127
                   +1 :              -0.00008598159607
                   +2 :               0.00002909910308
             13 vec=    -7.989968    -10.359920     10.693319   |vec|=   16.897177
                2s
                   +0 :              -0.00006314747664
                2p
                   -1 :              -0.00001509028170
                   +0 :               0.00002119740077
                   +1 :              -0.00002534814483
                3s
                   +0 :               0.00051640813667
                4s
                   +0 :              -0.00011244892740
                3p
                   -1 :              -0.00000840364715
                   +0 :              -0.00016141123955
                   +1 :               0.00002173821234
                4p
                   -1 :              -0.00000577410460
                   +0 :               0.00003938805511
                   +1 :               0.00001855609941
                3d
                   -2 :              -0.00002963593158
                   -1 :               0.00004055127645
                   +0 :               0.00002474815269
                   +1 :               0.00002353457932
                   +2 :               0.00007398035745
             14 vec=     7.570358      7.607596    -13.854224   |vec|=   17.524992
                2s
                   +0 :              -0.00011621335311
                2p
                   -1 :              -0.00001095485843
                   +0 :               0.00000123582280
                   +1 :              -0.00004322076360
                3s
                   +0 :               0.00070288031714
                4s
                   +0 :              -0.00008436127240
                3p
                   -1 :               0.00013012131767
                   +0 :              -0.00005547333033
                   +1 :               0.00040324869424
                4p
                   -1 :               0.00000581689105
                   +0 :              -0.00000182140763
                   +1 :              -0.00003890511933
                3d
                   -2 :               0.00004187713073
                   -1 :              -0.00000275735185
                   +0 :              -0.00006336517074
                   +1 :              -0.00002342322943
                   +2 :               0.00008491176424
             15 vec=    -7.989968      7.607596    -13.854224   |vec|=   17.710297
                2s
                   +0 :               0.00008906073501
                2p
                   -1 :               0.00003729089562
                   +0 :              -0.00000581904844
                   +1 :              -0.00005534976791
                3s
                   +0 :              -0.00019193277474
                4s
                   +0 :               0.00005421069106
                3p
                   -1 :              -0.00013330909228
                   +0 :              -0.00001062620183
                   +1 :               0.00019677738552
                4p
                   -1 :               0.00003475797376
                   +0 :               0.00001678696409
                   +1 :              -0.00003610726044
                3d
                   -2 :               0.00003168925587
                   -1 :              -0.00000585441930
                   +0 :               0.00000900709371
                   +1 :              -0.00002147360193
                   +2 :              -0.00001011714793
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 13)  npairs=  14
              1 vec=    -0.419351     -2.752474      4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00180865902600
                2s
                   +0 :              -0.04462645057503
                3s
                   +0 :               0.00284072637112
                2p
                   -1 :               0.00815761821564
                   +0 :              -0.02794377562919
                   +1 :               0.00431356115309
                3p
                   -1 :              -0.00093065500610
                   +0 :               0.00627939376545
                   +1 :              -0.00214750162363
                3d
                   -2 :              -0.00030675160675
                   -1 :               0.00014850038751
                   +0 :              -0.00063842169190
                   +1 :              -0.00066242019956
                   +2 :               0.00018547940092
              2 vec=    -0.419351      6.231284      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00018626359682
                2s
                   +0 :               0.00210162824073
                3s
                   +0 :              -0.00037882460421
                2p
                   -1 :               0.00463704556503
                   +0 :              -0.00170065083639
                   +1 :               0.00430831063792
                3p
                   -1 :              -0.00132485011157
                   +0 :               0.00409710963394
                   +1 :              -0.00405905485023
                3d
                   -2 :               0.00014666869449
                   -1 :              -0.00014280264692
                   +0 :               0.00047792852456
                   +1 :               0.00019798054353
                   +2 :               0.00032139964856
              3 vec=     7.360812      1.739405      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00011406359776
                2s
                   +0 :               0.00094386432001
                3s
                   +0 :               0.00003799511782
                2p
                   -1 :              -0.00215661701322
                   +0 :              -0.00215342247393
                   +1 :               0.00274767154450
                3p
                   -1 :               0.00181216819388
                   +0 :               0.00136761944834
                   +1 :              -0.00115167167271
                3d
                   -2 :               0.00017991791031
                   -1 :               0.00015852711636
                   +0 :              -0.00004250090297
                   +1 :               0.00017647640532
                   +2 :               0.00008765577171
              4 vec=    -8.199513      1.739405      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00013575396268
                2s
                   +0 :               0.00058716338303
                3s
                   +0 :              -0.00053549386054
                2p
                   -1 :              -0.00075362615566
                   +0 :              -0.00006346325180
                   +1 :               0.00004936549569
                3p
                   -1 :               0.00096845377836
                   +0 :              -0.00023597609970
                   +1 :              -0.00091307045802
                3d
                   -2 :              -0.00011886313722
                   -1 :              -0.00002682153613
                   +0 :              -0.00012034558795
                   +1 :              -0.00003733052454
                   +2 :               0.00008080724547
              5 vec=     7.360812     -7.244353      4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00032201553423
                2s
                   +0 :               0.00296729469871
                3s
                   +0 :              -0.00049866096713
                2p
                   -1 :              -0.00030402868330
                   +0 :              -0.00128173941397
                   +1 :              -0.00037893624404
                3p
                   -1 :              -0.00012132683139
                   +0 :               0.00083450754448
                   +1 :              -0.00003974331627
                3d
                   -2 :              -0.00015056762037
                   -1 :              -0.00022825285465
                   +0 :               0.00005691460049
                   +1 :               0.00026781593396
                   +2 :               0.00001911836134
              6 vec=    -8.199513     -7.244353      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00037208265238
                2s
                   +0 :               0.00313124726942
                3s
                   +0 :              -0.00042088631826
                2p
                   -1 :              -0.00117491257044
                   +0 :               0.00030544189436
                   +1 :              -0.00305321295877
                3p
                   -1 :              -0.00022381863060
                   +0 :              -0.00088882062401
                   +1 :               0.00167634046052
                3d
                   -2 :               0.00015143867896
                   -1 :               0.00002754869643
                   +0 :              -0.00004080135782
                   +1 :               0.00002940121983
                   +2 :              -0.00008587555849
              7 vec=    -0.419351    -11.736232      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001058625973
                2s
                   +0 :              -0.00042640316806
                3s
                   +0 :              -0.00020210581957
                2p
                   -1 :               0.00045849283892
                   +0 :              -0.00068266286593
                   +1 :               0.00028124018018
                3p
                   -1 :              -0.00030085022729
                   +0 :               0.00038661029346
                   +1 :              -0.00010509208728
                3d
                   -2 :               0.00000891808597
                   -1 :              -0.00004624266097
                   +0 :              -0.00000419569343
                   +1 :              -0.00001500156445
                   +2 :              -0.00001592985042
              8 vec=     7.360812     10.723163      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00003727553141
                2s
                   +0 :               0.00078227864287
                3s
                   +0 :               0.00008005222966
                2p
                   -1 :              -0.00030865177326
                   +0 :               0.00078085702108
                   +1 :               0.00029749046223
                3p
                   -1 :               0.00046120935023
                   +0 :              -0.00024574422194
                   +1 :               0.00001203427280
                3d
                   -2 :               0.00003920222399
                   -1 :              -0.00000845586563
                   +0 :               0.00001427223764
                   +1 :               0.00004339563142
                   +2 :              -0.00001694806076
              9 vec=    -8.199513     10.723163      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00000467966414
                2s
                   +0 :              -0.00001819755195
                3s
                   +0 :              -0.00005583189327
                2p
                   -1 :               0.00014016092444
                   +0 :               0.00049917464329
                   +1 :              -0.00040334516186
                3p
                   -1 :              -0.00019843333972
                   +0 :              -0.00029000762925
                   +1 :               0.00045866800225
                3d
                   -2 :               0.00003680023300
                   -1 :              -0.00000298078204
                   +0 :              -0.00001058915419
                   +1 :               0.00002389213702
                   +2 :              -0.00001488436079
             10 vec=    -0.419351     15.215042      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00001086153973
                2s
                   +0 :              -0.00001988752078
                3s
                   +0 :               0.00002062227933
                2p
                   -1 :              -0.00004404997515
                   +0 :               0.00027595240212
                   +1 :               0.00012096508665
                3p
                   -1 :               0.00007977059680
                   +0 :              -0.00011028600320
                   +1 :              -0.00013984297838
                3d
                   -2 :              -0.00000895233770
                   -1 :              -0.00000329564984
                   +0 :               0.00001563216302
                   +1 :              -0.00000485150704
                   +2 :              -0.00001446695716
             11 vec=    15.140975     -2.752474      4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00002651369137
                2s
                   +0 :              -0.00015300204847
                3s
                   +0 :               0.00005109300428
                2p
                   -1 :               0.00003671898318
                   +0 :              -0.00008751024860
                   +1 :              -0.00003154025684
                3p
                   -1 :              -0.00006361625276
                   +0 :               0.00001038501292
                   +1 :              -0.00003299258438
                3d
                   -2 :              -0.00000509334205
                   -1 :              -0.00000332642063
                   +0 :              -0.00000642408770
                   +1 :              -0.00000116209140
                   +2 :              -0.00000848588197
             12 vec=   -15.979676     -2.752474      4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00004275411506
                2s
                   +0 :               0.00041658622661
                3s
                   +0 :              -0.00007983144470
                2p
                   -1 :               0.00018690857031
                   +0 :              -0.00017214967015
                   +1 :              -0.00023500913088
                3p
                   -1 :              -0.00004878785667
                   +0 :               0.00008633634796
                   +1 :               0.00003773197377
                3d
                   -2 :              -0.00000084091350
                   -1 :              -0.00000100067724
                   +0 :              -0.00000191509251
                   +1 :              -0.00001167039961
                   +2 :               0.00001499275248
             13 vec=    15.140975      6.231284      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00000718459408
                2s
                   +0 :               0.00005904758687
                3s
                   +0 :              -0.00002624356092
                2p
                   -1 :              -0.00005490734622
                   +0 :              -0.00013401607456
                   +1 :               0.00012990710969
                3p
                   -1 :               0.00005351982783
                   +0 :               0.00006263808299
                   +1 :              -0.00012939417302
                3d
                   -2 :               0.00001464883969
                   -1 :              -0.00000287489146
                   +0 :              -0.00000129942022
                   +1 :               0.00000292726167
                   +2 :              -0.00000422250221
             14 vec=   -15.979676      6.231284      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00001132135782
                2s
                   +0 :               0.00004368984554
                3s
                   +0 :              -0.00003089911327
                2p
                   -1 :               0.00005949060485
                   +0 :               0.00005595494041
                   +1 :              -0.00011621126029
                3p
                   -1 :              -0.00006531237699
                   +0 :              -0.00003125352790
                   +1 :               0.00008858445420
                3d
                   -2 :               0.00000359511429
                   -1 :               0.00000277229616
                   +0 :               0.00000266320916
                   +1 :               0.00000191904804
                   +2 :              -0.00000090427078
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 14)  npairs=  14
              1 vec=     2.593128      1.739405      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00302276659989
                2s
                   +0 :               0.03430999903297
                3s
                   +0 :              -0.00604902579546
                2p
                   -1 :               0.00092074203528
                   +0 :               0.01347237772176
                   +1 :               0.00895568949070
                3p
                   -1 :              -0.00354771943619
                   +0 :               0.00164627660659
                   +1 :               0.00034570820712
                3d
                   -2 :              -0.00034632201790
                   -1 :              -0.00104087109206
                   +0 :               0.00151889049450
                   +1 :               0.00164822314428
                   +2 :               0.00070342538385
              2 vec=    -5.187034     -2.752474      4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00072118410545
                2s
                   +0 :               0.00362673090437
                3s
                   +0 :               0.00018198707448
                2p
                   -1 :              -0.00259009127328
                   +0 :               0.00092270305947
                   +1 :              -0.00117339902930
                3p
                   -1 :              -0.00108780695343
                   +0 :              -0.00108805146172
                   +1 :               0.00317915576695
                3d
                   -2 :               0.00059015387492
                   -1 :              -0.00129788081530
                   +0 :               0.00017036021117
                   +1 :              -0.00008339146090
                   +2 :              -0.00079392976216
              3 vec=     2.593128     -7.244353      4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00027320254659
                2s
                   +0 :              -0.00213311080951
                3s
                   +0 :               0.00026190259834
                2p
                   -1 :               0.00122238518050
                   +0 :              -0.00186404205699
                   +1 :              -0.00126086105047
                3p
                   -1 :              -0.00055812195747
                   +0 :               0.00057379595958
                   +1 :               0.00108887199931
                3d
                   -2 :              -0.00001792198588
                   -1 :              -0.00005100385518
                   +0 :              -0.00010057955537
                   +1 :               0.00009246701985
                   +2 :              -0.00000931635621
              4 vec=    -5.187034      6.231284      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00011219480692
                2s
                   +0 :              -0.00006947878345
                3s
                   +0 :              -0.00022260442896
                2p
                   -1 :              -0.00156044641442
                   +0 :               0.00115050290976
                   +1 :              -0.00031068135788
                3p
                   -1 :               0.00063059390649
                   +0 :               0.00037486867853
                   +1 :               0.00009613706363
                3d
                   -2 :              -0.00015181583291
                   -1 :               0.00013086614302
                   +0 :               0.00005398269670
                   +1 :              -0.00019811245453
                   +2 :              -0.00003091712920
              5 vec=    10.373291     -2.752474      4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00015703085146
                2s
                   +0 :               0.00075324146864
                3s
                   +0 :              -0.00036919024076
                2p
                   -1 :               0.00007757413971
                   +0 :              -0.00029471518118
                   +1 :               0.00053789463114
                3p
                   -1 :              -0.00020647620976
                   +0 :               0.00035476890755
                   +1 :              -0.00052189972867
                3d
                   -2 :              -0.00005185861271
                   -1 :              -0.00003122138784
                   +0 :              -0.00003603810329
                   +1 :               0.00004268357704
                   +2 :              -0.00002520632168
              6 vec=     2.593128     10.723163      4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00011158974057
                2s
                   +0 :               0.00089885164564
                3s
                   +0 :              -0.00009816466224
                2p
                   -1 :               0.00045518367628
                   +0 :               0.00080273064003
                   +1 :              -0.00028020156163
                3p
                   -1 :              -0.00007461619259
                   +0 :              -0.00038818299604
                   +1 :               0.00026324390483
                3d
                   -2 :               0.00003049054969
                   -1 :              -0.00004759204304
                   +0 :              -0.00005188262830
                   +1 :              -0.00006151077638
                   +2 :              -0.00005028373527
              7 vec=    10.373291      6.231284      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00014309769806
                2s
                   +0 :               0.00112781149881
                3s
                   +0 :              -0.00038111269531
                2p
                   -1 :               0.00010142188612
                   +0 :              -0.00007585645414
                   +1 :              -0.00004215948701
                3p
                   -1 :              -0.00010099869914
                   +0 :               0.00013718363441
                   +1 :               0.00020630251508
                3d
                   -2 :              -0.00001621849077
                   -1 :              -0.00001287758247
                   +0 :              -0.00000027232646
                   +1 :               0.00001225674305
                   +2 :              -0.00001353629279
              8 vec=    -5.187034    -11.736232      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00001936616470
                2s
                   +0 :              -0.00017892600773
                3s
                   +0 :              -0.00008837456856
                2p
                   -1 :              -0.00031892311216
                   +0 :              -0.00042680461730
                   +1 :               0.00009771695855
                3p
                   -1 :               0.00039749359966
                   +0 :               0.00014701729924
                   +1 :              -0.00003322081727
                3d
                   -2 :               0.00000626226395
                   -1 :              -0.00002196765808
                   +0 :               0.00000829022692
                   +1 :              -0.00010203143981
                   +2 :               0.00001751854867
              9 vec=   -12.967197      1.739405      4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00000656381395
                2s
                   +0 :              -0.00010059745301
                3s
                   +0 :              -0.00019123139730
                2p
                   -1 :               0.00002083793591
                   +0 :              -0.00036054007820
                   +1 :              -0.00009676763183
                3p
                   -1 :               0.00011661257193
                   +0 :               0.00001279564903
                   +1 :               0.00021931270093
                3d
                   -2 :              -0.00004824301477
                   -1 :               0.00001980778395
                   +0 :              -0.00001331290918
                   +1 :               0.00005954963976
                   +2 :              -0.00003897019145
             10 vec=   -12.967197     -7.244353      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00000082552860
                2s
                   +0 :               0.00016195040178
                3s
                   +0 :               0.00007430920465
                2p
                   -1 :               0.00017918930002
                   +0 :               0.00034810023167
                   +1 :               0.00007418756348
                3p
                   -1 :              -0.00009554274787
                   +0 :              -0.00027992421955
                   +1 :              -0.00018559087812
                3d
                   -2 :              -0.00003685826981
                   -1 :              -0.00000459637027
                   +0 :              -0.00002261569565
                   +1 :               0.00004354960173
                   +2 :               0.00001268975172
             11 vec=    10.373291    -11.736232      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00002502645547
                2s
                   +0 :               0.00031239749946
                3s
                   +0 :               0.00000117225999
                2p
                   -1 :              -0.00035665273392
                   +0 :              -0.00028255784590
                   +1 :               0.00016517342388
                3p
                   -1 :               0.00011480129519
                   +0 :               0.00012899458953
                   +1 :              -0.00004316460546
                3d
                   -2 :              -0.00001942870848
                   -1 :               0.00000633278915
                   +0 :              -0.00002150194534
                   +1 :              -0.00000167264519
                   +2 :              -0.00000690066013
             12 vec=    -5.187034     15.215042      4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00005627813415
                2s
                   +0 :              -0.00034940939566
                3s
                   +0 :               0.00008397414380
                2p
                   -1 :              -0.00058358966384
                   +0 :              -0.00007178976947
                   +1 :              -0.00012638705475
                3p
                   -1 :               0.00034853545482
                   +0 :               0.00018465059736
                   +1 :               0.00009482392260
                3d
                   -2 :              -0.00000391243293
                   -1 :              -0.00000717195521
                   +0 :              -0.00000506881648
                   +1 :              -0.00000932845793
                   +2 :              -0.00000209298070
             13 vec=     2.593128    -16.228111      4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00003710131451
                2s
                   +0 :              -0.00032534838812
                3s
                   +0 :               0.00005955194145
                2p
                   -1 :               0.00008579936865
                   +0 :              -0.00003352904597
                   +1 :               0.00011538571811
                3p
                   -1 :               0.00002104949601
                   +0 :              -0.00006285202410
                   +1 :              -0.00010440432839
                3d
                   -2 :               0.00001126910087
                   -1 :               0.00001385255175
                   +0 :              -0.00000922193193
                   +1 :              -0.00000751815312
                   +2 :               0.00001086894616
             14 vec=   -12.967197     10.723163      4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00003598933772
                2s
                   +0 :              -0.00027019118674
                3s
                   +0 :               0.00010588328678
                2p
                   -1 :               0.00001397863676
                   +0 :              -0.00001648311707
                   +1 :               0.00008993400630
                3p
                   -1 :               0.00000986237162
                   +0 :               0.00000708826396
                   +1 :              -0.00005859108919
                3d
                   -2 :               0.00000440144359
                   -1 :              -0.00000466208092
                   +0 :               0.00000018244359
                   +1 :               0.00000242403997
                   +2 :              -0.00000168393793
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 15)  npairs=  14
              1 vec=    -2.803193      1.376461      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00079324394619
                2s
                   +0 :               0.01651736288626
                3s
                   +0 :              -0.00287211968055
                2p
                   -1 :               0.00348830903774
                   +0 :               0.00531798443351
                   +1 :              -0.01017254986118
                3p
                   -1 :              -0.00459377411795
                   +0 :               0.00284664536054
                   +1 :               0.00310871283236
                3d
                   -2 :               0.00093606149074
                   -1 :              -0.00188012857580
                   +0 :              -0.00025458781662
                   +1 :              -0.00077728481439
                   +2 :               0.00116332424940
              2 vec=     4.976970     -3.115418      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00074556383281
                2s
                   +0 :              -0.00499037518298
                3s
                   +0 :               0.00184133030349
                2p
                   -1 :               0.00715016882897
                   +0 :               0.00042452287772
                   +1 :              -0.00255067743324
                3p
                   -1 :              -0.00620663692205
                   +0 :              -0.00027112812987
                   +1 :               0.00093559913659
                3d
                   -2 :              -0.00027186883654
                   -1 :              -0.00026331824979
                   +0 :              -0.00026227895676
                   +1 :               0.00008079769167
                   +2 :               0.00002268408473
              3 vec=     4.976970      5.868340      4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00006418578693
                2s
                   +0 :               0.00112328998536
                3s
                   +0 :               0.00006407180099
                2p
                   -1 :               0.00182090204150
                   +0 :               0.00150809392674
                   +1 :               0.00049166074405
                3p
                   -1 :              -0.00142058452843
                   +0 :              -0.00026179126892
                   +1 :               0.00069196329530
                3d
                   -2 :               0.00009709494163
                   -1 :               0.00000851086068
                   +0 :               0.00017605063831
                   +1 :               0.00026427483768
                   +2 :               0.00020141075099
              4 vec=    -2.803193     -7.607297      4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00008687096930
                2s
                   +0 :              -0.00013072132378
                3s
                   +0 :               0.00008627181755
                2p
                   -1 :               0.00224501246022
                   +0 :              -0.00240750350170
                   +1 :               0.00179895926844
                3p
                   -1 :              -0.00172409565728
                   +0 :               0.00138623237736
                   +1 :              -0.00052895423504
                3d
                   -2 :              -0.00009093537342
                   -1 :              -0.00007077676500
                   +0 :              -0.00000714000591
                   +1 :              -0.00002636558972
                   +2 :              -0.00003112734306
              5 vec=    -2.803193     10.360219      4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00016698079268
                2s
                   +0 :               0.00081683893735
                3s
                   +0 :              -0.00079750569896
                2p
                   -1 :               0.00132601497426
                   +0 :              -0.00034722411005
                   +1 :              -0.00048715848524
                3p
                   -1 :              -0.00111018995023
                   +0 :               0.00039395258933
                   +1 :               0.00063830337264
                3d
                   -2 :               0.00013635718887
                   -1 :              -0.00004105853138
                   +0 :               0.00007129058748
                   +1 :               0.00007589549503
                   +2 :               0.00011984301559
              6 vec=   -10.583355     -3.115418      4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00006975522701
                2s
                   +0 :               0.00075841073010
                3s
                   +0 :               0.00010382121911
                2p
                   -1 :              -0.00037116442882
                   +0 :              -0.00041395550318
                   +1 :              -0.00014040460874
                3p
                   -1 :               0.00060690863181
                   +0 :              -0.00006171854325
                   +1 :              -0.00020228661477
                3d
                   -2 :              -0.00007385220394
                   -1 :               0.00002918394248
                   +0 :              -0.00008604089143
                   +1 :               0.00005275989095
                   +2 :               0.00009202278059
              7 vec=   -10.583355      5.868340      4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00001671756852
                2s
                   +0 :               0.00031982895256
                3s
                   +0 :              -0.00003601614697
                2p
                   -1 :               0.00067690664927
                   +0 :               0.00037704996679
                   +1 :               0.00012233630781
                3p
                   -1 :              -0.00037980513383
                   +0 :              -0.00012357194895
                   +1 :              -0.00002347868133
                3d
                   -2 :               0.00000254109522
                   -1 :               0.00006436184470
                   +0 :               0.00002076729520
                   +1 :               0.00002091304407
                   +2 :               0.00002357350164
              8 vec=    12.757133      1.376461      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00003683382229
                2s
                   +0 :               0.00042585642310
                3s
                   +0 :              -0.00001508175137
                2p
                   -1 :              -0.00049050170237
                   +0 :               0.00011406034137
                   +1 :               0.00030692584493
                3p
                   -1 :               0.00036051729424
                   +0 :              -0.00005573061794
                   +1 :              -0.00003067632435
                3d
                   -2 :               0.00001925297862
                   -1 :              -0.00000259130628
                   +0 :               0.00001132139577
                   +1 :              -0.00000523742757
                   +2 :               0.00004507547579
              9 vec=     4.976970    -12.099176      4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00010144502533
                2s
                   +0 :              -0.00105653129634
                3s
                   +0 :               0.00015168682552
                2p
                   -1 :               0.00014652138469
                   +0 :              -0.00009249083799
                   +1 :              -0.00019946495182
                3p
                   -1 :               0.00016635641573
                   +0 :              -0.00021564277878
                   +1 :              -0.00009216278712
                3d
                   -2 :               0.00003082367364
                   -1 :               0.00001559005472
                   +0 :              -0.00000981477506
                   +1 :               0.00002743771444
                   +2 :               0.00001653464194
             10 vec=    12.757133     -7.607297      4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00001848872229
                2s
                   +0 :               0.00019308380644
                3s
                   +0 :              -0.00000271781286
                2p
                   -1 :              -0.00010880150213
                   +0 :              -0.00015578268220
                   +1 :              -0.00001408585786
                3p
                   -1 :               0.00011126243644
                   +0 :               0.00006848748599
                   +1 :               0.00014077450896
                3d
                   -2 :               0.00001946144014
                   -1 :              -0.00000259027397
                   +0 :              -0.00000123875081
                   +1 :              -0.00001357698703
                   +2 :               0.00001179362727
             11 vec=     4.976970     14.852098      4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00001852564932
                2s
                   +0 :              -0.00021287233642
                3s
                   +0 :              -0.00015248004245
                2p
                   -1 :               0.00022365332683
                   +0 :              -0.00012042239693
                   +1 :              -0.00006128247759
                3p
                   -1 :              -0.00035685555422
                   +0 :              -0.00010612784248
                   +1 :              -0.00002705097253
                3d
                   -2 :              -0.00001496318745
                   -1 :              -0.00011924192271
                   +0 :              -0.00003005461676
                   +1 :              -0.00001435941433
                   +2 :               0.00007207483435
             12 vec=   -10.583355    -12.099176      4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00003329352313
                2s
                   +0 :               0.00044574200955
                3s
                   +0 :              -0.00004919620632
                2p
                   -1 :              -0.00045671364519
                   +0 :              -0.00019128316505
                   +1 :              -0.00017610324892
                3p
                   -1 :               0.00006364501591
                   +0 :              -0.00003534367121
                   +1 :               0.00012102270289
                3d
                   -2 :               0.00002012425283
                   -1 :              -0.00000496517442
                   +0 :              -0.00002185623942
                   +1 :               0.00000501889371
                   +2 :              -0.00002858120373
             13 vec=    12.757133     10.360219      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00003128507248
                2s
                   +0 :               0.00029643842545
                3s
                   +0 :              -0.00006623167778
                2p
                   -1 :               0.00018395898215
                   +0 :               0.00003204470013
                   +1 :               0.00011315529022
                3p
                   -1 :              -0.00012970172867
                   +0 :               0.00001170528156
                   +1 :              -0.00004088319756
                3d
                   -2 :              -0.00000269122676
                   -1 :               0.00000922964126
                   +0 :               0.00000815981246
                   +1 :              -0.00000760965929
                   +2 :               0.00001067388269
             14 vec=    -2.803193    -16.591055      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00002431783170
                2s
                   +0 :              -0.00023964808362
                3s
                   +0 :               0.00003501108107
                2p
                   -1 :              -0.00007782123330
                   +0 :               0.00001882775491
                   +1 :               0.00007401580109
                3p
                   -1 :               0.00015482497104
                   +0 :              -0.00006654419028
                   +1 :              -0.00001755747295
                3d
                   -2 :              -0.00000686914118
                   -1 :               0.00000369608552
                   +0 :              -0.00000367453886
                   +1 :               0.00000191335277
                   +2 :               0.00000530371215
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 16)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00023007875768
                2s
                   +0 :              -0.00253722121555
                3s
                   +0 :               0.00030197942284
                2p
                   -1 :              -0.00091466228621
                   +0 :               0.00189751419925
                   +1 :              -0.00242501240029
                3p
                   -1 :               0.00059242144443
                   +0 :              -0.00020793815552
                   +1 :               0.00022426651787
                3d
                   -2 :              -0.00004160486610
                   -1 :              -0.00008779039596
                   +0 :              -0.00002183553807
                   +1 :               0.00011343648958
                   +2 :              -0.00009846414406
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00017419532019
                2s
                   +0 :               0.00228244768192
                3s
                   +0 :              -0.00010336356537
                2p
                   -1 :               0.00262400344871
                   +0 :              -0.00306169588793
                   +1 :              -0.00015854686174
                3p
                   -1 :              -0.00078812064313
                   +0 :               0.00101096639298
                   +1 :              -0.00004310215258
                3d
                   -2 :               0.00003823615563
                   -1 :              -0.00011037128907
                   +0 :              -0.00002209133304
                   +1 :               0.00010954332697
                   +2 :              -0.00002579515359
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00029459147235
                2s
                   +0 :               0.00216074327249
                3s
                   +0 :              -0.00062918842199
                2p
                   -1 :              -0.00004434773520
                   +0 :              -0.00181735387521
                   +1 :              -0.00398023718236
                3p
                   -1 :              -0.00082529298616
                   +0 :              -0.00012565646072
                   +1 :               0.00201805321486
                3d
                   -2 :               0.00016145760367
                   -1 :               0.00015111755616
                   +0 :               0.00007518358995
                   +1 :              -0.00000624862946
                   +2 :              -0.00005636203761
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00008076237573
                2s
                   +0 :               0.00057959341583
                3s
                   +0 :              -0.00008634626100
                2p
                   -1 :               0.00044675602707
                   +0 :               0.00004380423915
                   +1 :               0.00039337685540
                3p
                   -1 :              -0.00047659643119
                   +0 :               0.00008255372408
                   +1 :              -0.00007011421211
                3d
                   -2 :              -0.00000500688215
                   -1 :               0.00000226936037
                   +0 :               0.00000253554682
                   +1 :              -0.00001537080503
                   +2 :               0.00006522938222
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00005648954504
                2s
                   +0 :              -0.00085905209909
                3s
                   +0 :              -0.00001016873998
                2p
                   -1 :               0.00013221193198
                   +0 :               0.00008008830521
                   +1 :               0.00019156829044
                3p
                   -1 :              -0.00006359292369
                   +0 :               0.00022210163309
                   +1 :               0.00009595708958
                3d
                   -2 :              -0.00001985989122
                   -1 :              -0.00001302349858
                   +0 :              -0.00003487753902
                   +1 :              -0.00006848669496
                   +2 :              -0.00003681917884
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000460289074
                2s
                   +0 :               0.00046542481448
                3s
                   +0 :               0.00002073472347
                2p
                   -1 :               0.00050533363960
                   +0 :              -0.00046867804706
                   +1 :               0.00019127943343
                3p
                   -1 :              -0.00032235450246
                   +0 :               0.00027624539770
                   +1 :              -0.00017854535335
                3d
                   -2 :              -0.00000143076195
                   -1 :               0.00002580430841
                   +0 :              -0.00006828285002
                   +1 :              -0.00000615708828
                   +2 :               0.00003889376114
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000848077651
                2s
                   +0 :              -0.00007477584375
                3s
                   +0 :              -0.00000070064550
                2p
                   -1 :              -0.00026547797645
                   +0 :               0.00024621312248
                   +1 :              -0.00000901603009
                3p
                   -1 :               0.00021832148590
                   +0 :              -0.00014366252958
                   +1 :              -0.00004519599356
                3d
                   -2 :               0.00001302177091
                   -1 :              -0.00001370362977
                   +0 :               0.00001589425657
                   +1 :              -0.00001252991150
                   +2 :               0.00000823070856
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00004503122528
                2s
                   +0 :              -0.00052970326221
                3s
                   +0 :               0.00005721303004
                2p
                   -1 :               0.00015546740683
                   +0 :               0.00033032023086
                   +1 :              -0.00011422628815
                3p
                   -1 :              -0.00000420013846
                   +0 :              -0.00017236301425
                   +1 :               0.00008639898116
                3d
                   -2 :               0.00000002730223
                   -1 :              -0.00000188464758
                   +0 :              -0.00000116242663
                   +1 :              -0.00001429194260
                   +2 :               0.00000544600602
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00002936317656
                2s
                   +0 :               0.00024988462550
                3s
                   +0 :              -0.00005117648200
                2p
                   -1 :              -0.00013422516801
                   +0 :              -0.00008023100142
                   +1 :               0.00023607743758
                3p
                   -1 :               0.00008381882389
                   +0 :               0.00005443693433
                   +1 :              -0.00009899769860
                3d
                   -2 :               0.00000498698696
                   -1 :               0.00000781910960
                   +0 :              -0.00000703700721
                   +1 :               0.00000816789609
                   +2 :              -0.00000643723006
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00006083440145
                2s
                   +0 :               0.00046733806454
                3s
                   +0 :              -0.00016498526667
                2p
                   -1 :               0.00027927932517
                   +0 :              -0.00018975859100
                   +1 :              -0.00010615386833
                3p
                   -1 :              -0.00015971781718
                   +0 :               0.00014843069383
                   +1 :               0.00010210213089
                3d
                   -2 :              -0.00002346403524
                   -1 :               0.00001500196067
                   +0 :               0.00000092553922
                   +1 :              -0.00000927361213
                   +2 :               0.00000154534530
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000441178187
                2s
                   +0 :              -0.00012596488365
                3s
                   +0 :              -0.00001630207055
                2p
                   -1 :               0.00008081212414
                   +0 :               0.00011105834405
                   +1 :              -0.00009380432976
                3p
                   -1 :              -0.00005950805197
                   +0 :              -0.00007128519933
                   +1 :               0.00014852074873
                3d
                   -2 :               0.00001351989729
                   -1 :              -0.00000730380151
                   +0 :               0.00000563695662
                   +1 :               0.00000870466551
                   +2 :              -0.00000331130008
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00001471360615
                2s
                   +0 :              -0.00015228670751
                3s
                   +0 :               0.00003162801101
                2p
                   -1 :              -0.00008407533541
                   +0 :              -0.00003949073009
                   +1 :               0.00002196583156
                3p
                   -1 :               0.00004512274449
                   +0 :               0.00008881789143
                   +1 :              -0.00002062801918
                3d
                   -2 :              -0.00001262688405
                   -1 :               0.00000496085570
                   +0 :              -0.00000770430131
                   +1 :              -0.00001113460795
                   +2 :               0.00000283376886
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00001869271235
                2s
                   +0 :               0.00013527427672
                3s
                   +0 :              -0.00007345552264
                2p
                   -1 :              -0.00000336666014
                   +0 :               0.00008976678642
                   +1 :              -0.00010264066453
                3p
                   -1 :              -0.00003279582702
                   +0 :              -0.00005144384329
                   +1 :               0.00006486616378
                3d
                   -2 :               0.00000517961339
                   -1 :              -0.00000789230788
                   +0 :               0.00000428952224
                   +1 :               0.00000014193862
                   +2 :               0.00000029642825
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00000625047333
                2s
                   +0 :              -0.00011494563412
                3s
                   +0 :              -0.00000241937932
                2p
                   -1 :              -0.00000610080211
                   +0 :              -0.00002270108893
                   +1 :               0.00000830418776
                3p
                   -1 :              -0.00001401633163
                   +0 :               0.00000141045958
                   +1 :              -0.00000240053652
                3d
                   -2 :               0.00000694798057
                   -1 :              -0.00000287207473
                   +0 :               0.00000056219941
                   +1 :               0.00000130113899
                   +2 :               0.00000686212520
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001427481647
                2s
                   +0 :               0.00005617480592
                3s
                   +0 :              -0.00005324677671
                2p
                   -1 :              -0.00007510826382
                   +0 :               0.00005748867223
                   +1 :              -0.00004068015721
                3p
                   -1 :               0.00005888667675
                   +0 :              -0.00010081144737
                   +1 :               0.00005742390600
                3d
                   -2 :              -0.00000040696258
                   -1 :               0.00000381834274
                   +0 :              -0.00000301748589
                   +1 :               0.00000626741247
                   +2 :              -0.00000341359271
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 17)  npairs=  14
              1 vec=    -0.419351      0.000150     -8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00053384319283
                2s
                   +0 :               0.00370097816123
                3s
                   +0 :              -0.00114085364036
                2p
                   -1 :              -0.00353293662563
                   +0 :              -0.00198409271987
                   +1 :               0.00003786175654
                3p
                   -1 :               0.00152514575812
                   +0 :               0.00062911463837
                   +1 :              -0.00058293761812
                3d
                   -2 :              -0.00008841095130
                   -1 :              -0.00004614123609
                   +0 :               0.00019562109919
                   +1 :               0.00008699342288
                   +2 :               0.00003744373686
              2 vec=     7.360812     -4.491729     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00010206067019
                2s
                   +0 :               0.00053976026807
                3s
                   +0 :              -0.00021127688896
                2p
                   -1 :              -0.00009859174041
                   +0 :              -0.00042626506420
                   +1 :              -0.00116671365048
                3p
                   -1 :              -0.00027281484389
                   +0 :               0.00026281871281
                   +1 :               0.00088633941052
                3d
                   -2 :              -0.00009093879443
                   -1 :               0.00006114110606
                   +0 :              -0.00001757555934
                   +1 :              -0.00000177553103
                   +2 :              -0.00002398857998
              3 vec=     7.360812      4.492029     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00008059504498
                2s
                   +0 :               0.00108960710303
                3s
                   +0 :              -0.00015869586062
                2p
                   -1 :               0.00057557282864
                   +0 :              -0.00049930483427
                   +1 :               0.00017098904244
                3p
                   -1 :              -0.00056900165462
                   +0 :               0.00004043934320
                   +1 :               0.00013481849660
                3d
                   -2 :              -0.00005561370908
                   -1 :               0.00001854367698
                   +0 :               0.00001917759923
                   +1 :              -0.00001032550536
                   +2 :               0.00004138346285
              4 vec=    -0.419351     -8.983608     -8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00028533580578
                2s
                   +0 :              -0.00290298837436
                3s
                   +0 :               0.00058305287905
                2p
                   -1 :               0.00126942515958
                   +0 :               0.00120095616468
                   +1 :               0.00017400988792
                3p
                   -1 :              -0.00057584895381
                   +0 :              -0.00018584799671
                   +1 :              -0.00027306011121
                3d
                   -2 :               0.00004337313093
                   -1 :               0.00001224139669
                   +0 :              -0.00005342925216
                   +1 :               0.00003451285039
                   +2 :              -0.00003222857420
              5 vec=    -0.419351      8.983908     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00023481588012
                2s
                   +0 :              -0.00090171072358
                3s
                   +0 :               0.00089625792989
                2p
                   -1 :              -0.00069352755151
                   +0 :               0.00064276875285
                   +1 :              -0.00203277863028
                3p
                   -1 :               0.00093164663505
                   +0 :              -0.00066495663073
                   +1 :               0.00160756539976
                3d
                   -2 :               0.00007856662753
                   -1 :              -0.00014711872604
                   +0 :               0.00007477383143
                   +1 :              -0.00012555392949
                   +2 :              -0.00004445005970
              6 vec=    -8.199513     -4.491729     -8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00003331938098
                2s
                   +0 :              -0.00003354128129
                3s
                   +0 :              -0.00012377912708
                2p
                   -1 :               0.00006700813538
                   +0 :               0.00035141591073
                   +1 :               0.00098975007732
                3p
                   -1 :              -0.00017292204868
                   +0 :              -0.00022997053868
                   +1 :              -0.00067736452124
                3d
                   -2 :               0.00002835137974
                   -1 :               0.00000755572737
                   +0 :               0.00000270983645
                   +1 :               0.00002466309024
                   +2 :               0.00000224985943
              7 vec=    -8.199513      4.492029     -8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00002804513055
                2s
                   +0 :              -0.00003851638408
                3s
                   +0 :               0.00000832285158
                2p
                   -1 :              -0.00053899052583
                   +0 :              -0.00029983139368
                   +1 :              -0.00032398663864
                3p
                   -1 :               0.00024024015548
                   +0 :               0.00028214293065
                   +1 :               0.00015916551694
                3d
                   -2 :               0.00000380270256
                   -1 :               0.00003976964170
                   +0 :               0.00002211273473
                   +1 :              -0.00001310451706
                   +2 :              -0.00001797579788
              8 vec=    -0.419351      0.000150     16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00001155906857
                2s
                   +0 :               0.00006098043311
                3s
                   +0 :              -0.00003691459842
                2p
                   -1 :               0.00001014354616
                   +0 :               0.00000452071214
                   +1 :               0.00011192334718
                3p
                   -1 :              -0.00002111825266
                   +0 :               0.00000116517618
                   +1 :              -0.00008787434362
                3d
                   -2 :              -0.00000456165448
                   -1 :              -0.00000057245013
                   +0 :               0.00000198840701
                   +1 :              -0.00000909695465
                   +2 :              -0.00000660079552
              9 vec=    15.140975      0.000150     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00003386491610
                2s
                   +0 :               0.00029795505648
                3s
                   +0 :              -0.00010874229432
                2p
                   -1 :               0.00000640341529
                   +0 :              -0.00004439681441
                   +1 :               0.00011315272945
                3p
                   -1 :              -0.00003976624784
                   +0 :               0.00003570092108
                   +1 :              -0.00003366892329
                3d
                   -2 :              -0.00000679526681
                   -1 :               0.00000573615112
                   +0 :              -0.00000158047251
                   +1 :              -0.00000266699466
                   +2 :               0.00000731855625
             10 vec=     7.360812    -13.475487     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00003230687828
                2s
                   +0 :              -0.00039862975569
                3s
                   +0 :               0.00004082963583
                2p
                   -1 :               0.00001990050764
                   +0 :               0.00022969893503
                   +1 :              -0.00016019187971
                3p
                   -1 :               0.00004439446844
                   +0 :              -0.00005553622656
                   +1 :               0.00001814790126
                3d
                   -2 :               0.00001591255372
                   -1 :              -0.00000026155588
                   +0 :               0.00000378499654
                   +1 :               0.00000865813385
                   +2 :               0.00000278231863
             11 vec=     7.360812     13.475787     -8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00004681590977
                2s
                   +0 :               0.00041385873203
                3s
                   +0 :              -0.00010322361160
                2p
                   -1 :               0.00015194877790
                   +0 :              -0.00006365820231
                   +1 :               0.00030314343104
                3p
                   -1 :              -0.00002293741902
                   +0 :              -0.00000654258694
                   +1 :              -0.00022703933898
                3d
                   -2 :              -0.00000291971331
                   -1 :              -0.00001823621872
                   +0 :              -0.00000393483227
                   +1 :               0.00000584986668
                   +2 :              -0.00002069958107
             12 vec=    -8.199513    -13.475487     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00003649795959
                2s
                   +0 :              -0.00032987938111
                3s
                   +0 :               0.00005403446692
                2p
                   -1 :               0.00011251821136
                   +0 :               0.00005698571435
                   +1 :               0.00008339200083
                3p
                   -1 :              -0.00003810216182
                   +0 :              -0.00000479656061
                   +1 :               0.00000779170729
                3d
                   -2 :              -0.00000304083987
                   -1 :               0.00000405970791
                   +0 :              -0.00000384576705
                   +1 :              -0.00000322757505
                   +2 :               0.00000105533826
             13 vec=    -8.199513     13.475787     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000631174126
                2s
                   +0 :               0.00006833137526
                3s
                   +0 :               0.00002185390678
                2p
                   -1 :              -0.00004633793224
                   +0 :               0.00007039744719
                   +1 :              -0.00010352846866
                3p
                   -1 :               0.00008248338130
                   +0 :              -0.00010075590154
                   +1 :               0.00006599565080
                3d
                   -2 :               0.00000064665496
                   -1 :              -0.00001068391310
                   +0 :               0.00000773207832
                   +1 :              -0.00000080098018
                   +2 :              -0.00001287269071
             14 vec=   -15.979676      0.000150     -8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00000828064992
                2s
                   +0 :              -0.00009500533315
                3s
                   +0 :               0.00001158965648
                2p
                   -1 :              -0.00000410791510
                   +0 :              -0.00004221247466
                   +1 :               0.00000467635754
                3p
                   -1 :               0.00000365350352
                   +0 :               0.00002545276756
                   +1 :               0.00001333215485
                3d
                   -2 :              -0.00000219798568
                   -1 :              -0.00000291169628
                   +0 :              -0.00000068253855
                   +1 :               0.00000199354454
                   +2 :              -0.00000131280222
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 18)  npairs=  15
              1 vec=     4.976970      0.363094     -8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00022892390801
                2s
                   +0 :               0.00274045055589
                3s
                   +0 :              -0.00009174787331
                2p
                   -1 :              -0.00368152541825
                   +0 :              -0.00198870732559
                   +1 :               0.00314354515723
                3p
                   -1 :               0.00211147455910
                   +0 :              -0.00087405928854
                   +1 :              -0.00075655953147
                3d
                   -2 :              -0.00009820978599
                   -1 :              -0.00011006967086
                   +0 :               0.00004809962352
                   +1 :              -0.00012747825683
                   +2 :               0.00012636948137
              2 vec=    -2.803193     -4.128785     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00039050035045
                2s
                   +0 :              -0.00366078622001
                3s
                   +0 :               0.00069563123145
                2p
                   -1 :              -0.00156340259739
                   +0 :               0.00368666702405
                   +1 :               0.00274614475342
                3p
                   -1 :               0.00093613470842
                   +0 :              -0.00081377062150
                   +1 :              -0.00036521565865
                3d
                   -2 :               0.00000780385133
                   -1 :              -0.00001993911623
                   +0 :               0.00007483182639
                   +1 :              -0.00013956912189
                   +2 :              -0.00003737820316
              3 vec=    -2.803193      4.854973     -8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00014274225843
                2s
                   +0 :               0.00091992878447
                3s
                   +0 :              -0.00020128719713
                2p
                   -1 :               0.00191910934318
                   +0 :               0.00027868247545
                   +1 :               0.00120095278297
                3p
                   -1 :              -0.00113108939409
                   +0 :              -0.00091769835788
                   +1 :              -0.00111232825706
                3d
                   -2 :               0.00009650413393
                   -1 :               0.00001460230374
                   +0 :              -0.00008846288124
                   +1 :              -0.00005411734340
                   +2 :              -0.00004153383124
              4 vec=     4.976970     -8.620664     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00016025851890
                2s
                   +0 :              -0.00143097345640
                3s
                   +0 :               0.00047377362874
                2p
                   -1 :               0.00071397747799
                   +0 :               0.00022480099692
                   +1 :              -0.00033081638206
                3p
                   -1 :              -0.00060888608704
                   +0 :              -0.00015623237306
                   +1 :               0.00011610198326
                3d
                   -2 :              -0.00001461558595
                   -1 :               0.00005105436425
                   +0 :               0.00000274514263
                   +1 :              -0.00000932825764
                   +2 :              -0.00001599014058
              5 vec=     4.976970      9.346852     -8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00008145001119
                2s
                   +0 :               0.00094549012236
                3s
                   +0 :              -0.00013913460654
                2p
                   -1 :               0.00023455586620
                   +0 :               0.00010407906758
                   +1 :               0.00004450527232
                3p
                   -1 :               0.00015709821647
                   +0 :              -0.00017680449974
                   +1 :               0.00008581106957
                3d
                   -2 :              -0.00000663402513
                   -1 :               0.00002116156315
                   +0 :              -0.00003262791027
                   +1 :              -0.00003593989999
                   +2 :              -0.00002028666866
              6 vec=   -10.583355      0.363094     -8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00000384170315
                2s
                   +0 :              -0.00004199385890
                3s
                   +0 :               0.00003593990272
                2p
                   -1 :               0.00021821737863
                   +0 :              -0.00005770599036
                   +1 :              -0.00008023895683
                3p
                   -1 :              -0.00020856988787
                   +0 :               0.00008562928211
                   +1 :              -0.00000119617529
                3d
                   -2 :              -0.00001877926266
                   -1 :               0.00000634813479
                   +0 :              -0.00000669862397
                   +1 :               0.00000691124764
                   +2 :               0.00002936875087
              7 vec=    12.757133     -4.128785     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00001867630110
                2s
                   +0 :               0.00014107731812
                3s
                   +0 :              -0.00006840842281
                2p
                   -1 :              -0.00028738614876
                   +0 :              -0.00010868290053
                   +1 :               0.00004375228008
                3p
                   -1 :               0.00019463986128
                   +0 :               0.00008500397235
                   +1 :              -0.00006232034823
                3d
                   -2 :              -0.00001223740176
                   -1 :               0.00000240047132
                   +0 :              -0.00000641387639
                   +1 :               0.00000192877481
                   +2 :              -0.00000277328475
              8 vec=    -2.803193    -13.112543     -8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00003869591880
                2s
                   +0 :              -0.00048773641603
                3s
                   +0 :               0.00005441182424
                2p
                   -1 :               0.00033716304513
                   +0 :               0.00030299700283
                   +1 :               0.00014852366055
                3p
                   -1 :              -0.00013365397235
                   +0 :              -0.00015958387558
                   +1 :              -0.00006990407672
                3d
                   -2 :              -0.00000302082829
                   -1 :               0.00000115507244
                   +0 :               0.00001114886608
                   +1 :               0.00001514856587
                   +2 :              -0.00000392635983
              9 vec=    12.757133      4.854973     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00001160376385
                2s
                   +0 :              -0.00001800513559
                3s
                   +0 :               0.00005022060619
                2p
                   -1 :               0.00001126049881
                   +0 :              -0.00002374256258
                   +1 :              -0.00003919306183
                3p
                   -1 :               0.00001135287480
                   +0 :               0.00005702912908
                   +1 :               0.00003380865096
                3d
                   -2 :               0.00000094481629
                   -1 :               0.00000444830993
                   +0 :               0.00000498372507
                   +1 :               0.00000376261681
                   +2 :              -0.00000826880206
             10 vec=   -10.583355     -8.620664     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00001607430005
                2s
                   +0 :              -0.00001442780267
                3s
                   +0 :              -0.00012529008629
                2p
                   -1 :              -0.00017869720590
                   +0 :               0.00005135417868
                   +1 :               0.00002885757733
                3p
                   -1 :               0.00015802281048
                   +0 :               0.00001522546409
                   +1 :               0.00005935689156
                3d
                   -2 :              -0.00000749408565
                   -1 :               0.00000510312479
                   +0 :              -0.00000337529594
                   +1 :              -0.00000092910463
                   +2 :               0.00000547455020
             11 vec=    -2.803193     13.838731     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00003337461685
                2s
                   +0 :              -0.00007628690603
                3s
                   +0 :               0.00014490200305
                2p
                   -1 :               0.00010741132905
                   +0 :               0.00009028245467
                   +1 :               0.00023990034812
                3p
                   -1 :               0.00000345320367
                   +0 :              -0.00012138590527
                   +1 :              -0.00024850908327
                3d
                   -2 :              -0.00000474645692
                   -1 :              -0.00000593849722
                   +0 :               0.00000291263219
                   +1 :               0.00001151246984
                   +2 :               0.00000219971052
             12 vec=   -10.583355      9.346852     -8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00002506486155
                2s
                   +0 :               0.00022031100267
                3s
                   +0 :              -0.00005277997016
                2p
                   -1 :               0.00019695744923
                   +0 :              -0.00010236919781
                   +1 :              -0.00016571985614
                3p
                   -1 :              -0.00019727875195
                   +0 :              -0.00000171221559
                   +1 :               0.00005852173433
                3d
                   -2 :               0.00001339496924
                   -1 :               0.00001372365329
                   +0 :               0.00001413962835
                   +1 :               0.00000449892822
                   +2 :               0.00000423948286
             13 vec=     4.976970      0.363094     16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00001837753902
                2s
                   +0 :              -0.00021010573565
                3s
                   +0 :               0.00002013269765
                2p
                   -1 :              -0.00002061243486
                   +0 :              -0.00006074095494
                   +1 :              -0.00001213988265
                3p
                   -1 :               0.00001437332234
                   +0 :              -0.00001910505800
                   +1 :              -0.00000357943994
                3d
                   -2 :               0.00000678296353
                   -1 :               0.00000382412443
                   +0 :              -0.00000223965612
                   +1 :               0.00000109180031
                   +2 :               0.00000265105115
             14 vec=    -2.803193     -4.128785     16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00002229502562
                2s
                   +0 :              -0.00016316509093
                3s
                   +0 :               0.00006884844942
                2p
                   -1 :               0.00000325052721
                   +0 :              -0.00011754129129
                   +1 :               0.00002812820881
                3p
                   -1 :              -0.00001257025600
                   +0 :               0.00008384635982
                   +1 :              -0.00000073675443
                3d
                   -2 :              -0.00000089275560
                   -1 :              -0.00000628623333
                   +0 :               0.00001163770786
                   +1 :               0.00000444415524
                   +2 :               0.00000102000501
             15 vec=    -2.803193      4.854973     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00000583450556
                2s
                   +0 :              -0.00000010777502
                3s
                   +0 :              -0.00002114578322
                2p
                   -1 :              -0.00000867236555
                   +0 :              -0.00002243442964
                   +1 :              -0.00007809148285
                3p
                   -1 :               0.00000160495567
                   +0 :               0.00002739735416
                   +1 :               0.00002794487176
                3d
                   -2 :              -0.00000379519603
                   -1 :              -0.00000056188067
                   +0 :               0.00000328677797
                   +1 :              -0.00000528894252
                   +2 :               0.00000430647777
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 19)  npairs=  18
              1 vec=    -3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00011158851150
                2s
                   +0 :               0.00093185145754
                3s
                   +0 :              -0.00038708172104
                2p
                   -1 :               0.00025670622903
                   +0 :              -0.00052397554501
                   +1 :               0.00023749211954
                3p
                   -1 :              -0.00013362898739
                   +0 :               0.00040967523551
                   +1 :              -0.00024333566213
                3d
                   -2 :              -0.00001807815029
                   -1 :              -0.00000723796708
                   +0 :              -0.00006428329850
                   +1 :               0.00000233662615
                   +2 :               0.00002273264494
              2 vec=    -3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00010421271549
                2s
                   +0 :              -0.00078646089870
                3s
                   +0 :               0.00037007823316
                2p
                   -1 :               0.00030022016241
                   +0 :              -0.00073962937965
                   +1 :               0.00034399932904
                3p
                   -1 :              -0.00015506643846
                   +0 :               0.00065314057064
                   +1 :              -0.00014498066043
                3d
                   -2 :               0.00000018326428
                   -1 :              -0.00000928322105
                   +0 :               0.00005516707511
                   +1 :               0.00000302661242
                   +2 :               0.00001125673625
              3 vec=     4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00000973043194
                2s
                   +0 :              -0.00000615707851
                3s
                   +0 :              -0.00002285123010
                2p
                   -1 :              -0.00082936773301
                   +0 :               0.00014948420113
                   +1 :              -0.00019805873378
                3p
                   -1 :               0.00022401840027
                   +0 :              -0.00008067940484
                   +1 :              -0.00006146366646
                3d
                   -2 :              -0.00000728654446
                   -1 :               0.00003014607766
                   +0 :              -0.00000518701254
                   +1 :               0.00002638595388
                   +2 :              -0.00001807541798
              4 vec=     4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00010752645199
                2s
                   +0 :              -0.00071029806668
                3s
                   +0 :               0.00023297885340
                2p
                   -1 :              -0.00025801442824
                   +0 :              -0.00036802061058
                   +1 :              -0.00021806585727
                3p
                   -1 :              -0.00011260700268
                   +0 :               0.00017225709253
                   +1 :              -0.00012794413917
                3d
                   -2 :              -0.00003498288554
                   -1 :              -0.00006579873941
                   +0 :               0.00002029084936
                   +1 :              -0.00005454143087
                   +2 :               0.00000195422863
              5 vec=    -3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00006829017586
                2s
                   +0 :              -0.00068589747181
                3s
                   +0 :               0.00016200087062
                2p
                   -1 :               0.00000688446038
                   +0 :               0.00046472263844
                   +1 :              -0.00007043755696
                3p
                   -1 :               0.00004969306013
                   +0 :              -0.00015252743600
                   +1 :               0.00002296883360
                3d
                   -2 :               0.00000643046493
                   -1 :              -0.00000866254469
                   +0 :               0.00000959816897
                   +1 :               0.00000169433206
                   +2 :               0.00000824262824
              6 vec=    -3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003159238143
                2s
                   +0 :              -0.00049550328687
                3s
                   +0 :               0.00005987199996
                2p
                   -1 :              -0.00007838676490
                   +0 :              -0.00025792628487
                   +1 :              -0.00041317686921
                3p
                   -1 :               0.00019936137172
                   +0 :              -0.00006954131549
                   +1 :               0.00031034533252
                3d
                   -2 :               0.00000317364134
                   -1 :               0.00001199584887
                   +0 :              -0.00003534507464
                   +1 :               0.00000831779083
                   +2 :               0.00004138684928
              7 vec=     4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005665015249
                2s
                   +0 :               0.00089287818027
                3s
                   +0 :              -0.00005052638962
                2p
                   -1 :              -0.00020936208402
                   +0 :              -0.00024322986191
                   +1 :               0.00020455720295
                3p
                   -1 :               0.00026529190590
                   +0 :              -0.00020318413827
                   +1 :               0.00006506881924
                3d
                   -2 :               0.00003186732412
                   -1 :              -0.00001641531499
                   +0 :               0.00003797399221
                   +1 :              -0.00002971220193
                   +2 :               0.00002469775450
              8 vec=     4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002560108623
                2s
                   +0 :               0.00018005913869
                3s
                   +0 :              -0.00010458358233
                2p
                   -1 :              -0.00028785669685
                   +0 :               0.00033334618713
                   +1 :               0.00021049989537
                3p
                   -1 :               0.00022054473800
                   +0 :              -0.00020735870923
                   +1 :              -0.00017184425545
                3d
                   -2 :               0.00000712107956
                   -1 :               0.00001044735401
                   +0 :              -0.00002626226502
                   +1 :              -0.00001202341843
                   +2 :              -0.00000305898196
              9 vec=   -10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000303538189
                2s
                   +0 :              -0.00008747261385
                3s
                   +0 :              -0.00000676165502
                2p
                   -1 :               0.00000197052064
                   +0 :              -0.00002987030463
                   +1 :              -0.00007302013720
                3p
                   -1 :              -0.00002668903271
                   +0 :               0.00002562514530
                   +1 :               0.00007699099146
                3d
                   -2 :               0.00000066130952
                   -1 :               0.00001045097757
                   +0 :              -0.00000301184314
                   +1 :              -0.00000003888888
                   +2 :              -0.00000224921529
             10 vec=   -10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00015262760659
                2s
                   +0 :               0.00123578008930
                3s
                   +0 :              -0.00029315261741
                2p
                   -1 :               0.00010309096015
                   +0 :               0.00021629500993
                   +1 :              -0.00043642626416
                3p
                   -1 :               0.00009368359445
                   +0 :               0.00002225712406
                   +1 :               0.00026422436508
                3d
                   -2 :              -0.00001105581914
                   -1 :               0.00002712273802
                   +0 :               0.00001633839691
                   +1 :               0.00000347118494
                   +2 :              -0.00001453295313
             11 vec=    -3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000967790072
                2s
                   +0 :               0.00003743445920
                3s
                   +0 :               0.00010103692973
                2p
                   -1 :              -0.00013864401216
                   +0 :               0.00017917531423
                   +1 :              -0.00006837607174
                3p
                   -1 :               0.00019842292367
                   +0 :              -0.00029204382315
                   +1 :               0.00000962397047
                3d
                   -2 :              -0.00000359710758
                   -1 :              -0.00001476550659
                   +0 :               0.00002029016735
                   +1 :               0.00000053042560
                   +2 :              -0.00000045392437
             12 vec=    -3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002272062167
                2s
                   +0 :              -0.00017097353315
                3s
                   +0 :               0.00004260026242
                2p
                   -1 :              -0.00010032070144
                   +0 :               0.00001696507709
                   +1 :               0.00002423857593
                3p
                   -1 :               0.00006581931982
                   +0 :              -0.00001903354299
                   +1 :              -0.00005707671475
                3d
                   -2 :              -0.00000734298074
                   -1 :              -0.00000681442797
                   +0 :              -0.00000210729853
                   +1 :              -0.00001409632107
                   +2 :               0.00000590415620
             13 vec=   -10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000720749259
                2s
                   +0 :              -0.00004213645340
                3s
                   +0 :               0.00002366678248
                2p
                   -1 :              -0.00005926808605
                   +0 :              -0.00000299012174
                   +1 :              -0.00005936023531
                3p
                   -1 :               0.00004691958433
                   +0 :               0.00000255258210
                   +1 :               0.00002618365596
                3d
                   -2 :              -0.00000118908396
                   -1 :              -0.00000464889806
                   +0 :              -0.00000052224499
                   +1 :              -0.00000180504282
                   +2 :               0.00000125390817
             14 vec=   -10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000335382374
                2s
                   +0 :              -0.00007065339872
                3s
                   +0 :              -0.00000268548577
                2p
                   -1 :              -0.00001257838496
                   +0 :              -0.00007112854183
                   +1 :               0.00000970843684
                3p
                   -1 :               0.00003467239207
                   +0 :               0.00005402500813
                   +1 :               0.00001996711541
                3d
                   -2 :               0.00000108292100
                   -1 :               0.00000133406294
                   +0 :               0.00000034572064
                   +1 :              -0.00000254527585
                   +2 :              -0.00000203136833
             15 vec=     4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000371805580
                2s
                   +0 :              -0.00010066834080
                3s
                   +0 :              -0.00000663110588
                2p
                   -1 :               0.00000276896837
                   +0 :              -0.00002155086810
                   +1 :               0.00004208359757
                3p
                   -1 :              -0.00002419002746
                   +0 :               0.00005674926444
                   +1 :              -0.00006963744073
                3d
                   -2 :               0.00000126766740
                   -1 :              -0.00000160401386
                   +0 :              -0.00000441444567
                   +1 :               0.00000711102545
                   +2 :              -0.00000460683075
             16 vec=     4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000024505626
                2s
                   +0 :              -0.00003517668741
                3s
                   +0 :              -0.00001002554716
                2p
                   -1 :               0.00013970910573
                   +0 :              -0.00000831989301
                   +1 :               0.00000850181004
                3p
                   -1 :              -0.00009168382343
                   +0 :               0.00003389195481
                   +1 :              -0.00001049516148
                3d
                   -2 :              -0.00000407195582
                   -1 :              -0.00000950905951
                   +0 :               0.00000403615839
                   +1 :               0.00000482591981
                   +2 :              -0.00000584642495
             17 vec=    12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002009704855
                2s
                   +0 :              -0.00007584188303
                3s
                   +0 :               0.00007948234246
                2p
                   -1 :               0.00000815883275
                   +0 :               0.00009520689531
                   +1 :               0.00007120517194
                3p
                   -1 :              -0.00002383971829
                   +0 :              -0.00004645847838
                   +1 :              -0.00002570018051
                3d
                   -2 :              -0.00000494796713
                   -1 :               0.00000627462875
                   +0 :               0.00000354544370
                   +1 :               0.00000185795170
                   +2 :              -0.00000589071226
             18 vec=    12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001275995642
                2s
                   +0 :              -0.00010483392997
                3s
                   +0 :               0.00004607133413
                2p
                   -1 :              -0.00009632287482
                   +0 :              -0.00004908829217
                   +1 :              -0.00007652912617
                3p
                   -1 :               0.00005929605608
                   +0 :               0.00003726572742
                   +1 :               0.00004820798499
                3d
                   -2 :               0.00000741799325
                   -1 :               0.00000555887073
                   +0 :               0.00000111222844
                   +1 :               0.00000591362161
                   +2 :               0.00000891461773
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 20)  npairs=  14
              1 vec=    -0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00001188261474
                2s
                   +0 :               0.00017181138394
                3s
                   +0 :               0.00007530296351
                2p
                   -1 :              -0.00019286137315
                   +0 :               0.00009674227403
                   +1 :              -0.00009934778431
                3p
                   -1 :              -0.00004841225205
                   +0 :              -0.00031128945856
                   +1 :               0.00005046656245
                3d
                   -2 :              -0.00000289590989
                   -1 :               0.00001532092075
                   +0 :               0.00005741185749
                   +1 :               0.00001548169232
                   +2 :              -0.00003017833949
              2 vec=    -0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00002129194558
                2s
                   +0 :              -0.00010416167065
                3s
                   +0 :              -0.00008440976935
                2p
                   -1 :               0.00017907779766
                   +0 :               0.00001356374438
                   +1 :               0.00028960388648
                3p
                   -1 :              -0.00011576498152
                   +0 :              -0.00011407099621
                   +1 :              -0.00006723985202
                3d
                   -2 :              -0.00001543271606
                   -1 :              -0.00000516522872
                   +0 :              -0.00001533108967
                   +1 :               0.00002046680834
                   +2 :              -0.00000380321620
              3 vec=    -0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00003320190697
                2s
                   +0 :               0.00062717114485
                3s
                   +0 :               0.00001229260635
                2p
                   -1 :               0.00013014035094
                   +0 :              -0.00045664254188
                   +1 :              -0.00018794843222
                3p
                   -1 :              -0.00005234202080
                   +0 :               0.00005552230017
                   +1 :               0.00000523850917
                3d
                   -2 :              -0.00003226532664
                   -1 :              -0.00000472393485
                   +0 :               0.00003169453532
                   +1 :               0.00001611596407
                   +2 :               0.00000554475882
              4 vec=    -0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00006797831468
                2s
                   +0 :              -0.00040862519841
                3s
                   +0 :               0.00026389443518
                2p
                   -1 :              -0.00003629089226
                   +0 :              -0.00004753142192
                   +1 :              -0.00037230922536
                3p
                   -1 :               0.00001532903149
                   +0 :               0.00023474019343
                   +1 :               0.00012037005611
                3d
                   -2 :              -0.00000460476509
                   -1 :               0.00002393874428
                   +0 :               0.00004747423272
                   +1 :              -0.00002357612442
                   +2 :              -0.00001297757616
              5 vec=     7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00013202670832
                2s
                   +0 :               0.00116805066424
                3s
                   +0 :              -0.00029803782305
                2p
                   -1 :               0.00007648037351
                   +0 :              -0.00062316869322
                   +1 :               0.00050197985054
                3p
                   -1 :               0.00001317600019
                   +0 :               0.00015088823258
                   +1 :              -0.00022892441522
                3d
                   -2 :              -0.00000556118423
                   -1 :              -0.00003245414780
                   +0 :               0.00000582165993
                   +1 :               0.00000186279472
                   +2 :              -0.00001415870169
              6 vec=     7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000081685465
                2s
                   +0 :               0.00004297654300
                3s
                   +0 :               0.00001817406775
                2p
                   -1 :               0.00026080380536
                   +0 :               0.00014864342917
                   +1 :               0.00001499828826
                3p
                   -1 :              -0.00018582024483
                   +0 :              -0.00001600788494
                   +1 :              -0.00003092783643
                3d
                   -2 :               0.00000522075411
                   -1 :               0.00000988183376
                   +0 :               0.00000374742367
                   +1 :              -0.00000679141451
                   +2 :               0.00000066887226
              7 vec=    -7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000879387695
                2s
                   +0 :               0.00005248368686
                3s
                   +0 :               0.00007117912061
                2p
                   -1 :               0.00021778284276
                   +0 :               0.00011715856181
                   +1 :               0.00002467466997
                3p
                   -1 :              -0.00014852556587
                   +0 :              -0.00025982399125
                   +1 :              -0.00010458274010
                3d
                   -2 :              -0.00001270638157
                   -1 :              -0.00000568667653
                   +0 :               0.00002844894656
                   +1 :               0.00002822344179
                   +2 :               0.00000745668941
              8 vec=    -7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002184184910
                2s
                   +0 :              -0.00007654140247
                3s
                   +0 :               0.00004860798051
                2p
                   -1 :              -0.00042533904824
                   +0 :              -0.00014345474493
                   +1 :               0.00010619438562
                3p
                   -1 :               0.00030597511704
                   +0 :               0.00027238752096
                   +1 :              -0.00010144794673
                3d
                   -2 :              -0.00000783734227
                   -1 :               0.00001186550092
                   +0 :               0.00002355433360
                   +1 :              -0.00002497152295
                   +2 :               0.00003274641691
              9 vec=     7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000574004212
                2s
                   +0 :              -0.00005119926715
                3s
                   +0 :               0.00001737389754
                2p
                   -1 :              -0.00003918931103
                   +0 :               0.00000043421751
                   +1 :              -0.00019768683040
                3p
                   -1 :               0.00000756812047
                   +0 :               0.00003277661556
                   +1 :               0.00011802666812
                3d
                   -2 :              -0.00000213801402
                   -1 :              -0.00000063593029
                   +0 :              -0.00001039232781
                   +1 :              -0.00001113239196
                   +2 :              -0.00000419562076
             10 vec=     7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002156417062
                2s
                   +0 :              -0.00015808609829
                3s
                   +0 :               0.00002172467123
                2p
                   -1 :               0.00014957331270
                   +0 :              -0.00005624895393
                   +1 :              -0.00011233509562
                3p
                   -1 :              -0.00005800775210
                   +0 :              -0.00001664843589
                   +1 :              -0.00000549236351
                3d
                   -2 :               0.00000162900733
                   -1 :               0.00001085680536
                   +0 :              -0.00001774648466
                   +1 :              -0.00000857261708
                   +2 :               0.00001397818487
             11 vec=    -7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002972802685
                2s
                   +0 :              -0.00027330257670
                3s
                   +0 :               0.00005004691547
                2p
                   -1 :              -0.00015345146245
                   +0 :              -0.00002375380264
                   +1 :               0.00011061256522
                3p
                   -1 :               0.00009127453306
                   +0 :               0.00013749236023
                   +1 :              -0.00006201214999
                3d
                   -2 :               0.00000399817362
                   -1 :              -0.00000076428465
                   +0 :              -0.00000543513332
                   +1 :               0.00000532500581
                   +2 :               0.00001107036397
             12 vec=    -7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00005461570505
                2s
                   +0 :               0.00057238807801
                3s
                   +0 :               0.00000760394624
                2p
                   -1 :              -0.00009725820781
                   +0 :              -0.00001816976231
                   +1 :               0.00022541456078
                3p
                   -1 :              -0.00010216103251
                   +0 :               0.00021370368174
                   +1 :              -0.00002851328455
                3d
                   -2 :              -0.00000943564916
                   -1 :              -0.00004388247635
                   +0 :               0.00000508220407
                   +1 :               0.00001605385743
                   +2 :              -0.00002536429396
             13 vec=    -0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00003898139782
                2s
                   +0 :              -0.00051360051343
                3s
                   +0 :               0.00004106877576
                2p
                   -1 :               0.00027075027728
                   +0 :               0.00026430970912
                   +1 :               0.00000702741523
                3p
                   -1 :              -0.00009678689013
                   +0 :               0.00000305738814
                   +1 :              -0.00001010262153
                3d
                   -2 :               0.00000428123227
                   -1 :              -0.00000755082748
                   +0 :              -0.00000985422359
                   +1 :              -0.00000600180513
                   +2 :               0.00000623404265
             14 vec=    -0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002891415504
                2s
                   +0 :              -0.00029703898100
                3s
                   +0 :               0.00003245929339
                2p
                   -1 :               0.00011112384192
                   +0 :              -0.00004853217350
                   +1 :               0.00009152656292
                3p
                   -1 :               0.00002449415729
                   +0 :              -0.00002512630457
                   +1 :              -0.00007210335609
                3d
                   -2 :               0.00000588653369
                   -1 :               0.00000418114401
                   +0 :               0.00000199292047
                   +1 :              -0.00000749749414
                   +2 :               0.00000768372809
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 21)  npairs=  14
              1 vec=     2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00012142795578
                2s
                   +0 :               0.00113823706319
                3s
                   +0 :              -0.00034415157640
                2p
                   -1 :               0.00009156107271
                   +0 :              -0.00063597670841
                   +1 :              -0.00051282009884
                3p
                   -1 :              -0.00009142311875
                   +0 :               0.00037481678464
                   +1 :               0.00034400980471
                3d
                   -2 :               0.00001096747620
                   -1 :               0.00000327898474
                   +0 :              -0.00004083439002
                   +1 :              -0.00001732932392
                   +2 :              -0.00002220770403
              2 vec=     2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00007572292823
                2s
                   +0 :              -0.00073005523396
                3s
                   +0 :               0.00027704058685
                2p
                   -1 :              -0.00008517540494
                   +0 :              -0.00058175706655
                   +1 :              -0.00009146525748
                3p
                   -1 :               0.00002708792355
                   +0 :               0.00032180792101
                   +1 :               0.00002182687125
                3d
                   -2 :              -0.00000788307628
                   -1 :              -0.00002489592303
                   +0 :               0.00001538570946
                   +1 :               0.00000916634378
                   +2 :               0.00000711006256
              3 vec=    -5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00003164269837
                2s
                   +0 :              -0.00016333209798
                3s
                   +0 :              -0.00021725179307
                2p
                   -1 :              -0.00069226693234
                   +0 :               0.00016139356656
                   +1 :               0.00011090891366
                3p
                   -1 :               0.00027528630544
                   +0 :               0.00021982763952
                   +1 :               0.00015601940363
                3d
                   -2 :              -0.00000334622702
                   -1 :               0.00000611511815
                   +0 :              -0.00003052682055
                   +1 :              -0.00004983373344
                   +2 :              -0.00000827876694
              4 vec=    -5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002437828553
                2s
                   +0 :              -0.00027083780733
                3s
                   +0 :               0.00009552681782
                2p
                   -1 :              -0.00004044408686
                   +0 :              -0.00007927489632
                   +1 :               0.00074003216732
                3p
                   -1 :              -0.00000296604222
                   +0 :              -0.00004444653417
                   +1 :              -0.00031626720056
                3d
                   -2 :               0.00001430526831
                   -1 :              -0.00000231363419
                   +0 :              -0.00002040883976
                   +1 :               0.00001859460225
                   +2 :              -0.00001135598298
              5 vec=     2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00005203536237
                2s
                   +0 :              -0.00055380020713
                3s
                   +0 :               0.00013239013003
                2p
                   -1 :              -0.00007826902324
                   +0 :               0.00030319743883
                   +1 :               0.00001044550772
                3p
                   -1 :               0.00004238802755
                   +0 :              -0.00004767474132
                   +1 :               0.00002970620106
                3d
                   -2 :              -0.00001038668127
                   -1 :               0.00000088970481
                   +0 :               0.00001330596709
                   +1 :              -0.00000096785016
                   +2 :               0.00000351842962
              6 vec=     2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00013266214645
                2s
                   +0 :              -0.00105314659720
                3s
                   +0 :               0.00025463106754
                2p
                   -1 :               0.00034482392069
                   +0 :              -0.00044976861960
                   +1 :              -0.00027033922134
                3p
                   -1 :              -0.00011459569391
                   +0 :               0.00015910030345
                   +1 :               0.00025203174381
                3d
                   -2 :              -0.00000863389925
                   -1 :               0.00002356441384
                   +0 :              -0.00000741609998
                   +1 :               0.00001777372466
                   +2 :              -0.00000411177092
              7 vec=    -5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001613929594
                2s
                   +0 :               0.00027230906646
                3s
                   +0 :              -0.00001500033398
                2p
                   -1 :               0.00009094534834
                   +0 :              -0.00036894068686
                   +1 :              -0.00043437592266
                3p
                   -1 :              -0.00010171942700
                   +0 :               0.00027908827108
                   +1 :               0.00021560717715
                3d
                   -2 :               0.00002698118872
                   -1 :               0.00000749840350
                   +0 :              -0.00002231701092
                   +1 :              -0.00000980063807
                   +2 :               0.00000511767367
              8 vec=    -5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002939774251
                2s
                   +0 :              -0.00033435249812
                3s
                   +0 :              -0.00000692412408
                2p
                   -1 :               0.00029538535996
                   +0 :               0.00005456764982
                   +1 :               0.00011792731868
                3p
                   -1 :              -0.00020760147320
                   +0 :              -0.00015812963379
                   +1 :              -0.00002183558905
                3d
                   -2 :               0.00000899796762
                   -1 :              -0.00001113796791
                   +0 :              -0.00003406914469
                   +1 :               0.00001488664051
                   +2 :              -0.00000699995431
              9 vec=    10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00002503523202
                2s
                   +0 :               0.00019752513362
                3s
                   +0 :              -0.00005532682930
                2p
                   -1 :              -0.00017279142204
                   +0 :              -0.00007450825335
                   +1 :               0.00015339729387
                3p
                   -1 :               0.00010342014536
                   +0 :               0.00002782355985
                   +1 :              -0.00010086566818
                3d
                   -2 :              -0.00000605079987
                   -1 :              -0.00000254624538
                   +0 :               0.00000392776018
                   +1 :              -0.00000073162130
                   +2 :              -0.00000549049621
             10 vec=    10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000609421732
                2s
                   +0 :              -0.00005831253203
                3s
                   +0 :              -0.00000549433663
                2p
                   -1 :              -0.00018424105827
                   +0 :              -0.00001400840105
                   +1 :              -0.00006855263302
                3p
                   -1 :               0.00014569105926
                   +0 :               0.00000506662463
                   +1 :               0.00003310900410
                3d
                   -2 :               0.00000093641764
                   -1 :               0.00000329132904
                   +0 :              -0.00000840757163
                   +1 :              -0.00000126203635
                   +2 :               0.00000475611000
             11 vec=     2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00004985167423
                2s
                   +0 :               0.00041155777681
                3s
                   +0 :              -0.00011649478679
                2p
                   -1 :               0.00036205622741
                   +0 :              -0.00031057654817
                   +1 :              -0.00005425476075
                3p
                   -1 :              -0.00023621614973
                   +0 :               0.00012558695863
                   +1 :               0.00008139743301
                3d
                   -2 :              -0.00000774293070
                   -1 :               0.00002018922128
                   +0 :              -0.00000800290277
                   +1 :              -0.00000360501568
                   +2 :               0.00000854611129
             12 vec=     2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001331610617
                2s
                   +0 :              -0.00009678481643
                3s
                   +0 :               0.00004053692957
                2p
                   -1 :               0.00001588476628
                   +0 :              -0.00007927045020
                   +1 :              -0.00025722064556
                3p
                   -1 :              -0.00002926986091
                   +0 :               0.00017715026390
                   +1 :               0.00023223730775
                3d
                   -2 :               0.00001625221740
                   -1 :              -0.00000400752963
                   +0 :               0.00001181365034
                   +1 :               0.00002967767071
                   +2 :               0.00000258972613
             13 vec=    10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001103239312
                2s
                   +0 :               0.00020406299968
                3s
                   +0 :              -0.00000130484536
                2p
                   -1 :               0.00004622702557
                   +0 :               0.00001218108575
                   +1 :               0.00016448073873
                3p
                   -1 :               0.00000675582294
                   +0 :              -0.00003905667275
                   +1 :              -0.00005916267481
                3d
                   -2 :              -0.00000336142261
                   -1 :              -0.00000407215473
                   +0 :              -0.00000056175998
                   +1 :               0.00000447583030
                   +2 :              -0.00000387945053
             14 vec=    10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002328918257
                2s
                   +0 :               0.00023648757753
                3s
                   +0 :              -0.00006523008171
                2p
                   -1 :               0.00006388717936
                   +0 :               0.00021662444355
                   +1 :               0.00011566261617
                3p
                   -1 :              -0.00003636804206
                   +0 :              -0.00005985407212
                   +1 :              -0.00004620855139
                3d
                   -2 :               0.00000784542131
                   -1 :              -0.00000328379365
                   +0 :              -0.00000364870425
                   +1 :               0.00000665060857
                   +2 :               0.00000115565254
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 22)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00374701285766
                2s
                   +0 :               0.03970934106124
                3s
                   +0 :              -0.00903860319147
                2p
                   -1 :               0.90037401281268
                   +0 :               0.01885707501591
                   +1 :               0.02414628447237
                3p
                   -1 :              -0.04593627081946
                   +0 :              -0.00599209866204
                   +1 :              -0.00901285935094
                3d
                   -2 :               0.00324086896015
                   -1 :              -0.00331260666053
                   +0 :              -0.00156631741106
                   +1 :               0.00126366307842
                   +2 :              -0.00370301328657
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00023437930993
                2s
                   +0 :              -0.00159209973234
                3s
                   +0 :               0.00106709293614
                2p
                   -1 :               0.00050291382763
                   +0 :              -0.00081446838379
                   +1 :               0.00327114450132
                3p
                   -1 :              -0.00082825961005
                   +0 :              -0.00005523456505
                   +1 :              -0.00222112745724
                3d
                   -2 :               0.00004807836781
                   -1 :               0.00008711682880
                   +0 :              -0.00008357552448
                   +1 :               0.00023859063088
                   +2 :               0.00016522302772
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00014190244480
                2s
                   +0 :              -0.00030125340610
                3s
                   +0 :              -0.00012301236733
                2p
                   -1 :              -0.00057204294901
                   +0 :               0.00001692430625
                   +1 :              -0.00333101163086
                3p
                   -1 :              -0.00124904953279
                   +0 :               0.00047051683599
                   +1 :              -0.00036307209356
                3d
                   -2 :               0.00008955138139
                   -1 :               0.00002528584112
                   +0 :              -0.00000901355933
                   +1 :               0.00020559738814
                   +2 :               0.00034021436618
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00043633616782
                2s
                   +0 :              -0.00334682580048
                3s
                   +0 :               0.00073099452076
                2p
                   -1 :               0.00282454343489
                   +0 :               0.00029521299057
                   +1 :              -0.00053705243857
                3p
                   -1 :              -0.00062702485940
                   +0 :              -0.00081245769867
                   +1 :               0.00116936290247
                3d
                   -2 :              -0.00009718661397
                   -1 :              -0.00002638309173
                   +0 :               0.00013256028117
                   +1 :              -0.00005572424118
                   +2 :              -0.00004888717439
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00019690410774
                2s
                   +0 :               0.00093615546244
                3s
                   +0 :               0.00005690226064
                2p
                   -1 :               0.00053366228332
                   +0 :              -0.00065590350467
                   +1 :              -0.00339681327251
                3p
                   -1 :               0.00093963880279
                   +0 :               0.00100216414115
                   +1 :               0.00080252747109
                3d
                   -2 :              -0.00011095323969
                   -1 :               0.00005095715232
                   +0 :              -0.00002674646999
                   +1 :              -0.00000998434528
                   +2 :              -0.00026666342575
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00011551724326
                2s
                   +0 :               0.00135469370631
                3s
                   +0 :              -0.00052194282334
                2p
                   -1 :              -0.00258372859025
                   +0 :              -0.00059545175082
                   +1 :              -0.00136528005422
                3p
                   -1 :               0.00072555800581
                   +0 :               0.00012091275085
                   +1 :               0.00054719867328
                3d
                   -2 :              -0.00012799641015
                   -1 :              -0.00011942549423
                   +0 :               0.00006617066591
                   +1 :               0.00001860044600
                   +2 :              -0.00006672884235
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00014618594442
                2s
                   +0 :               0.00092507569270
                3s
                   +0 :              -0.00051427102003
                2p
                   -1 :              -0.00056918053066
                   +0 :               0.00031974152590
                   +1 :               0.00086574594700
                3p
                   -1 :              -0.00002255666970
                   +0 :               0.00029145349180
                   +1 :              -0.00011073245680
                3d
                   -2 :              -0.00012591245626
                   -1 :               0.00006904854069
                   +0 :              -0.00032217118890
                   +1 :               0.00026733833336
                   +2 :              -0.00000196761954
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00009186633368
                2s
                   +0 :              -0.00082047607659
                3s
                   +0 :               0.00020482937781
                2p
                   -1 :              -0.00017885779411
                   +0 :              -0.00004828689238
                   +1 :               0.00079580866960
                3p
                   -1 :               0.00015048451961
                   +0 :               0.00001932845765
                   +1 :              -0.00031177104823
                3d
                   -2 :              -0.00001928905513
                   -1 :              -0.00000967182902
                   +0 :               0.00000251150314
                   +1 :              -0.00001159155108
                   +2 :              -0.00000394460790
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00006710383721
                2s
                   +0 :              -0.00085496070885
                3s
                   +0 :               0.00006248021669
                2p
                   -1 :               0.00078560020647
                   +0 :              -0.00002502092135
                   +1 :               0.00043810067135
                3p
                   -1 :              -0.00005747865079
                   +0 :              -0.00004392723167
                   +1 :              -0.00002580590669
                3d
                   -2 :              -0.00002881398088
                   -1 :              -0.00000987302418
                   +0 :               0.00001301433016
                   +1 :              -0.00001207383923
                   +2 :               0.00002754754647
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004006387665
                2s
                   +0 :               0.00054938427303
                3s
                   +0 :              -0.00002281732722
                2p
                   -1 :               0.00057049107270
                   +0 :              -0.00007408902490
                   +1 :              -0.00063916488861
                3p
                   -1 :              -0.00016586133734
                   +0 :               0.00019863887327
                   +1 :               0.00031442507436
                3d
                   -2 :               0.00002955553014
                   -1 :               0.00005357695841
                   +0 :               0.00001882696452
                   +1 :              -0.00000834804895
                   +2 :              -0.00003448002121
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00014773419751
                2s
                   +0 :              -0.00138436726015
                3s
                   +0 :               0.00031970334156
                2p
                   -1 :               0.00075551352976
                   +0 :              -0.00016792492844
                   +1 :              -0.00047535389237
                3p
                   -1 :              -0.00022569277962
                   +0 :               0.00008429877733
                   +1 :               0.00001990868829
                3d
                   -2 :               0.00002915165111
                   -1 :              -0.00001556983713
                   +0 :               0.00002370660485
                   +1 :              -0.00001176093192
                   +2 :               0.00000787778686
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00009054167681
                2s
                   +0 :               0.00115736194435
                3s
                   +0 :              -0.00006601282520
                2p
                   -1 :               0.00068662315719
                   +0 :              -0.00016861657340
                   +1 :               0.00055888332507
                3p
                   -1 :              -0.00009777639886
                   +0 :               0.00008164484769
                   +1 :               0.00004854362320
                3d
                   -2 :               0.00006295200322
                   -1 :              -0.00001220243658
                   +0 :              -0.00003123797999
                   +1 :              -0.00004682825797
                   +2 :               0.00002302112225
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002095169241
                2s
                   +0 :               0.00020869453583
                3s
                   +0 :              -0.00001203935014
                2p
                   -1 :              -0.00006791558340
                   +0 :               0.00015232564707
                   +1 :              -0.00000429408964
                3p
                   -1 :              -0.00000793505472
                   +0 :              -0.00014059439519
                   +1 :               0.00008982306303
                3d
                   -2 :              -0.00000099446661
                   -1 :              -0.00000072619898
                   +0 :              -0.00000210961609
                   +1 :              -0.00000331780783
                   +2 :               0.00002468793405
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000910282449
                2s
                   +0 :              -0.00001844113165
                3s
                   +0 :              -0.00005151180076
                2p
                   -1 :               0.00000817488172
                   +0 :               0.00001779555405
                   +1 :               0.00012043625047
                3p
                   -1 :               0.00000291706211
                   +0 :              -0.00002804153015
                   +1 :               0.00002316706099
                3d
                   -2 :              -0.00000133241169
                   -1 :              -0.00000216949603
                   +0 :               0.00000389798395
                   +1 :              -0.00000192759877
                   +2 :              -0.00000510051975
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000839303001
                2s
                   +0 :              -0.00004509869863
                3s
                   +0 :               0.00004014391036
                2p
                   -1 :               0.00004386374085
                   +0 :               0.00002278002594
                   +1 :               0.00003667719618
                3p
                   -1 :              -0.00000181185911
                   +0 :               0.00000725318976
                   +1 :              -0.00006115619773
                3d
                   -2 :              -0.00000382487135
                   -1 :               0.00000603712938
                   +0 :               0.00000042342290
                   +1 :              -0.00000114302486
                   +2 :              -0.00000237237897
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00004360834852
                2s
                   +0 :              -0.00045838263676
                3s
                   +0 :               0.00007047701473
                2p
                   -1 :               0.00032878257995
                   +0 :              -0.00006358642949
                   +1 :               0.00004857244487
                3p
                   -1 :              -0.00006000672675
                   +0 :               0.00002867143610
                   +1 :               0.00000431722732
                3d
                   -2 :              -0.00000193840596
                   -1 :              -0.00000862625774
                   +0 :               0.00000479182232
                   +1 :              -0.00000884798379
                   +2 :               0.00000176747467
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00003426260937
                2s
                   +0 :               0.00034212471547
                3s
                   +0 :              -0.00006463013841
                2p
                   -1 :               0.00020636471448
                   +0 :               0.00000914247217
                   +1 :              -0.00005286481606
                3p
                   -1 :              -0.00001888153034
                   +0 :               0.00003113671389
                   +1 :               0.00001555746321
                3d
                   -2 :               0.00000353024944
                   -1 :               0.00000153224145
                   +0 :              -0.00001672992956
                   +1 :               0.00000290527003
                   +2 :              -0.00000062523926
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001023205134
                2s
                   +0 :              -0.00008527261559
                3s
                   +0 :               0.00002847309050
                2p
                   -1 :               0.00012422151969
                   +0 :              -0.00000937716940
                   +1 :              -0.00008545096068
                3p
                   -1 :              -0.00006536714023
                   +0 :              -0.00000821571938
                   +1 :               0.00004929434001
                3d
                   -2 :              -0.00000122469687
                   -1 :               0.00000256082306
                   +0 :              -0.00000042659388
                   +1 :               0.00000186519590
                   +2 :               0.00000648157089
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002530955935
                2s
                   +0 :               0.00025579754259
                3s
                   +0 :              -0.00005280544017
                2p
                   -1 :              -0.00003792431584
                   +0 :               0.00000220392908
                   +1 :               0.00010811257361
                3p
                   -1 :               0.00001847059397
                   +0 :              -0.00001354071685
                   +1 :              -0.00000573020296
                3d
                   -2 :               0.00000268400845
                   -1 :               0.00000128851464
                   +0 :              -0.00000027978376
                   +1 :               0.00000108433235
                   +2 :               0.00000162851969
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 23)  npairs=  12
              1 vec=     4.767165      0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00131362478343
                2s
                   +0 :               0.00557993474011
                3s
                   +0 :              -0.00184873347542
                2p
                   -1 :              -0.01390163990822
                   +0 :              -0.00153119010119
                   +1 :              -0.00635799816589
                3p
                   -1 :               0.00031778441796
                   +0 :               0.00096577368714
                   +1 :               0.00417640683682
                3d
                   -2 :              -0.00130038961334
                   -1 :              -0.00016496240961
                   +0 :              -0.00089039572685
                   +1 :               0.00025861054621
                   +2 :               0.00021904764496
              2 vec=    -3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00287616601226
                2s
                   +0 :              -0.04142564825982
                3s
                   +0 :               0.00442812400725
                2p
                   -1 :               0.01278692043872
                   +0 :               0.00026807589412
                   +1 :               0.01390343996240
                3p
                   -1 :               0.00280031281954
                   +0 :              -0.00074404776902
                   +1 :              -0.00224415062326
                3d
                   -2 :              -0.00073290837945
                   -1 :              -0.00037330113874
                   +0 :               0.00018163063956
                   +1 :              -0.00024067853105
                   +2 :               0.00120249358486
              3 vec=    -3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00043999149519
                2s
                   +0 :               0.03320236528470
                3s
                   +0 :               0.00530860375307
                2p
                   -1 :               0.02329959654873
                   +0 :               0.00770856270531
                   +1 :              -0.01977544910904
                3p
                   -1 :               0.00344896011082
                   +0 :              -0.00632021509847
                   +1 :              -0.00641177549673
                3d
                   -2 :              -0.00294304038610
                   -1 :              -0.00053976792367
                   +0 :              -0.00150068063607
                   +1 :               0.00046799960426
                   +2 :              -0.00032579556462
              4 vec=     4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00036254770980
                2s
                   +0 :              -0.00442259849690
                3s
                   +0 :              -0.00006571825779
                2p
                   -1 :               0.00275376560343
                   +0 :               0.00006820163004
                   +1 :              -0.00156703636894
                3p
                   -1 :               0.00042085735339
                   +0 :              -0.00023566347033
                   +1 :              -0.00008587607731
                3d
                   -2 :               0.00013274074612
                   -1 :              -0.00005518032750
                   +0 :               0.00010675710003
                   +1 :              -0.00008589826359
                   +2 :               0.00026160742830
              5 vec=     4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00108041852957
                2s
                   +0 :               0.00901058348115
                3s
                   +0 :              -0.00255382390203
                2p
                   -1 :               0.00799787661732
                   +0 :              -0.00046818618293
                   +1 :               0.00701870677036
                3p
                   -1 :              -0.00046573748268
                   +0 :               0.00045907939759
                   +1 :              -0.00239431212297
                3d
                   -2 :               0.00022921379031
                   -1 :              -0.00023925646759
                   +0 :              -0.00035500736491
                   +1 :               0.00002877953420
                   +2 :              -0.00018321896418
              6 vec=   -10.793160     -0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00038856757483
                2s
                   +0 :              -0.00330355696758
                3s
                   +0 :               0.00085001936391
                2p
                   -1 :              -0.00109078064160
                   +0 :              -0.00081517122209
                   +1 :               0.00142373221950
                3p
                   -1 :               0.00053751699971
                   +0 :               0.00068424173135
                   +1 :              -0.00002249769053
                3d
                   -2 :               0.00001785214254
                   -1 :               0.00003849591938
                   +0 :               0.00002000148902
                   +1 :              -0.00001558312201
                   +2 :              -0.00011687009798
              7 vec=    12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00007010343390
                2s
                   +0 :              -0.00082147627682
                3s
                   +0 :               0.00012372288081
                2p
                   -1 :              -0.00011910575853
                   +0 :              -0.00001772827974
                   +1 :              -0.00017348134143
                3p
                   -1 :               0.00009500846512
                   +0 :              -0.00001096118289
                   +1 :              -0.00012653278375
                3d
                   -2 :               0.00001137457390
                   -1 :               0.00000430090988
                   +0 :               0.00002024690151
                   +1 :              -0.00001121553783
                   +2 :              -0.00005673426697
              8 vec=    12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00002250201967
                2s
                   +0 :               0.00026358890849
                3s
                   +0 :              -0.00007967683202
                2p
                   -1 :               0.00013470877493
                   +0 :              -0.00035708476916
                   +1 :               0.00030598954793
                3p
                   -1 :              -0.00012294439858
                   +0 :               0.00021929680659
                   +1 :              -0.00021031665906
                3d
                   -2 :              -0.00001895157601
                   -1 :               0.00001885147057
                   +0 :              -0.00000931833741
                   +1 :               0.00000782107817
                   +2 :              -0.00001840590826
              9 vec=    -3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00006501297170
                2s
                   +0 :              -0.00080665559039
                3s
                   +0 :               0.00004278994701
                2p
                   -1 :               0.00039111850822
                   +0 :              -0.00008571506921
                   +1 :               0.00023292837320
                3p
                   -1 :              -0.00002277142196
                   +0 :               0.00003017629439
                   +1 :              -0.00010042881801
                3d
                   -2 :               0.00000671952425
                   -1 :               0.00000687593616
                   +0 :               0.00003552533728
                   +1 :              -0.00002323983296
                   +2 :               0.00002519213255
             10 vec=    -3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00011817155747
                2s
                   +0 :               0.00116124867792
                3s
                   +0 :              -0.00039137947635
                2p
                   -1 :               0.00116376840592
                   +0 :               0.00021462645936
                   +1 :              -0.00011783817104
                3p
                   -1 :              -0.00052189685655
                   +0 :              -0.00008033852542
                   +1 :              -0.00011327328930
                3d
                   -2 :              -0.00004965187138
                   -1 :               0.00000076182148
                   +0 :               0.00001365336638
                   +1 :              -0.00001364248514
                   +2 :               0.00000122702085
             11 vec=   -10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00005650307204
                2s
                   +0 :              -0.00063255741267
                3s
                   +0 :               0.00012794692446
                2p
                   -1 :              -0.00016229527947
                   +0 :              -0.00012958806681
                   +1 :               0.00089799571887
                3p
                   -1 :               0.00004918281825
                   +0 :              -0.00006528243067
                   +1 :              -0.00040059018065
                3d
                   -2 :              -0.00000394321802
                   -1 :               0.00001412273581
                   +0 :               0.00002494172110
                   +1 :              -0.00000531848084
                   +2 :              -0.00001452591830
             12 vec=   -10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00001471097742
                2s
                   +0 :              -0.00001715000451
                3s
                   +0 :               0.00001279796206
                2p
                   -1 :              -0.00033407039392
                   +0 :              -0.00008724783679
                   +1 :              -0.00009671218587
                3p
                   -1 :               0.00016194745806
                   +0 :               0.00014525559673
                   +1 :               0.00008243099457
                3d
                   -2 :               0.00001384558955
                   -1 :              -0.00000724804507
                   +0 :              -0.00000083802194
                   +1 :              -0.00001437176319
                   +2 :              -0.00000105006122
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 24)  npairs=  12
              1 vec=     2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00387589726543
                2s
                   +0 :              -0.09330840200240
                3s
                   +0 :               0.00970198288049
                2p
                   -1 :               0.05651960136457
                   +0 :               0.00156321001434
                   +1 :              -0.03176865970174
                3p
                   -1 :              -0.00992359462717
                   +0 :              -0.00321402941957
                   +1 :               0.00212441293410
                3d
                   -2 :               0.00292288222964
                   -1 :               0.00024551882957
                   +0 :               0.00206216306538
                   +1 :               0.00074627610057
                   +2 :               0.00040248532267
              2 vec=    -5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00041410963421
                2s
                   +0 :               0.00208959830597
                3s
                   +0 :              -0.00291762235194
                2p
                   -1 :              -0.00238082437949
                   +0 :               0.00204914870943
                   +1 :              -0.00324012297690
                3p
                   -1 :              -0.00018525028051
                   +0 :              -0.00393239287658
                   +1 :               0.00283966613929
                3d
                   -2 :               0.00091453049758
                   -1 :              -0.00030182428519
                   +0 :               0.00096200211122
                   +1 :              -0.00028631849162
                   +2 :              -0.00096815663630
              3 vec=     2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00142532639233
                2s
                   +0 :               0.05225032012509
                3s
                   +0 :               0.00230131733305
                2p
                   -1 :               0.03372558109113
                   +0 :               0.00313920599765
                   +1 :               0.02206323352654
                3p
                   -1 :               0.00306764915179
                   +0 :              -0.00382181836828
                   +1 :               0.00204567240182
                3d
                   -2 :               0.00305677405116
                   -1 :               0.00019583658257
                   +0 :              -0.00182308889949
                   +1 :              -0.00138433627362
                   +2 :              -0.00145362744723
              4 vec=    -5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00060604066520
                2s
                   +0 :              -0.00559992926922
                3s
                   +0 :               0.00081651169933
                2p
                   -1 :               0.00398047061173
                   +0 :              -0.00172254831859
                   +1 :               0.00104580396266
                3p
                   -1 :              -0.00086684924895
                   +0 :               0.00056003201512
                   +1 :               0.00100261463272
                3d
                   -2 :              -0.00020094522590
                   -1 :               0.00013208855446
                   +0 :               0.00011053543443
                   +1 :               0.00019380197739
                   +2 :              -0.00011101446524
              5 vec=    10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00007368291411
                2s
                   +0 :               0.00105534859156
                3s
                   +0 :              -0.00008791158727
                2p
                   -1 :               0.00026584885406
                   +0 :              -0.00014875820737
                   +1 :               0.00101640930359
                3p
                   -1 :              -0.00044356634530
                   +0 :               0.00000958900258
                   +1 :              -0.00042055604493
                3d
                   -2 :              -0.00004352582814
                   -1 :               0.00007532734187
                   +0 :               0.00012141813829
                   +1 :              -0.00002889898815
                   +2 :              -0.00000268907135
              6 vec=    -5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00064020405132
                2s
                   +0 :               0.00519623365403
                3s
                   +0 :              -0.00166970864993
                2p
                   -1 :               0.00230186928260
                   +0 :              -0.00128588990096
                   +1 :              -0.00207632523747
                3p
                   -1 :              -0.00038318123819
                   +0 :               0.00105772924077
                   +1 :               0.00034409070080
                3d
                   -2 :               0.00007169872700
                   -1 :               0.00002768095456
                   +0 :               0.00005330575914
                   +1 :               0.00003601969661
                   +2 :               0.00008118434795
              7 vec=     2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00010903607492
                2s
                   +0 :              -0.00147267174398
                3s
                   +0 :               0.00002479824992
                2p
                   -1 :               0.00055104424617
                   +0 :              -0.00021050695388
                   +1 :              -0.00031545487022
                3p
                   -1 :               0.00011715191205
                   +0 :               0.00005394152115
                   +1 :               0.00027467921136
                3d
                   -2 :              -0.00004066082889
                   -1 :               0.00002584925665
                   +0 :               0.00004327564623
                   +1 :               0.00002994798709
                   +2 :               0.00000841489214
              8 vec=    10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00000419256631
                2s
                   +0 :              -0.00013026411962
                3s
                   +0 :              -0.00003096406177
                2p
                   -1 :              -0.00043858020395
                   +0 :              -0.00015082951411
                   +1 :               0.00028618291349
                3p
                   -1 :               0.00017399949442
                   +0 :               0.00002402170523
                   +1 :              -0.00033254848724
                3d
                   -2 :              -0.00000122777143
                   -1 :              -0.00000948773398
                   +0 :               0.00001784385152
                   +1 :               0.00001263159757
                   +2 :              -0.00000391022009
              9 vec=   -13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00004359920821
                2s
                   +0 :              -0.00036112598750
                3s
                   +0 :               0.00016697511119
                2p
                   -1 :               0.00032111437780
                   +0 :              -0.00023523572287
                   +1 :               0.00012483560180
                3p
                   -1 :              -0.00025355231393
                   +0 :               0.00005388662399
                   +1 :              -0.00002731226353
                3d
                   -2 :               0.00002071131594
                   -1 :              -0.00001210618486
                   +0 :               0.00002525947013
                   +1 :              -0.00000204927449
                   +2 :              -0.00002244321146
             10 vec=    10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00004259121708
                2s
                   +0 :               0.00059566423255
                3s
                   +0 :              -0.00005310387877
                2p
                   -1 :              -0.00015961841963
                   +0 :              -0.00011287323707
                   +1 :               0.00064004153991
                3p
                   -1 :               0.00002870114905
                   +0 :               0.00014278884940
                   +1 :               0.00002089671276
                3d
                   -2 :              -0.00000511772974
                   -1 :               0.00000122038592
                   +0 :              -0.00002507530453
                   +1 :              -0.00000903406689
                   +2 :               0.00004365585425
             11 vec=   -13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00005450145269
                2s
                   +0 :               0.00058774145331
                3s
                   +0 :              -0.00013534211990
                2p
                   -1 :               0.00010966848990
                   +0 :              -0.00012172023086
                   +1 :              -0.00043672454442
                3p
                   -1 :              -0.00011095517491
                   +0 :               0.00002362905559
                   +1 :               0.00007971289342
                3d
                   -2 :              -0.00000401448694
                   -1 :              -0.00000978046402
                   +0 :               0.00001668436497
                   +1 :               0.00001955519732
                   +2 :               0.00001573511768
             12 vec=     2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00012330761098
                2s
                   +0 :               0.00124298016355
                3s
                   +0 :              -0.00025781277504
                2p
                   -1 :               0.00084658815561
                   +0 :               0.00019251832460
                   +1 :              -0.00006629474575
                3p
                   -1 :              -0.00032737853002
                   +0 :              -0.00006883589246
                   +1 :              -0.00008387533023
                3d
                   -2 :              -0.00002587049078
                   -1 :              -0.00002114971692
                   +0 :              -0.00000307342357
                   +1 :              -0.00000714081394
                   +2 :               0.00003740525821
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 25)  npairs=  14
              1 vec=     2.173777      1.739555     -4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00218009652999
                2s
                   +0 :               0.04215118404321
                3s
                   +0 :              -0.00456608364447
                2p
                   -1 :              -0.00043399140208
                   +0 :              -0.02542135123456
                   +1 :               0.01252636073354
                3p
                   -1 :              -0.00504941588994
                   +0 :               0.00122583064543
                   +1 :              -0.00185884713552
                3d
                   -2 :              -0.00007055714189
                   -1 :               0.00104319687876
                   +0 :               0.00198849429367
                   +1 :              -0.00145205308729
                   +2 :               0.00112383158458
              2 vec=    -5.606385     -2.752324     -4.091257   |vec|=    7.466273
                1s
                   +0 :               0.00029693347988
                2s
                   +0 :              -0.00289119958837
                3s
                   +0 :               0.00102210950584
                2p
                   -1 :               0.00096884063381
                   +0 :              -0.00012613673262
                   +1 :               0.00163490730507
                3p
                   -1 :              -0.00128666999490
                   +0 :               0.00131713858008
                   +1 :              -0.00038094434670
                3d
                   -2 :               0.00012916240891
                   -1 :               0.00005387134206
                   +0 :              -0.00025543400392
                   +1 :               0.00009434212469
                   +2 :               0.00012367941096
              3 vec=     2.173777     -7.244203     -4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00026389645899
                2s
                   +0 :              -0.00118121841925
                3s
                   +0 :               0.00004329374308
                2p
                   -1 :               0.00147274224068
                   +0 :              -0.00204823405905
                   +1 :              -0.00096079010091
                3p
                   -1 :              -0.00054317862638
                   +0 :               0.00232101939628
                   +1 :               0.00029729456364
                3d
                   -2 :               0.00000520258994
                   -1 :              -0.00004889735063
                   +0 :              -0.00019212154464
                   +1 :              -0.00005787937729
                   +2 :              -0.00003588965728
              4 vec=    -5.606385      6.231434     -4.091257   |vec|=    9.327417
                1s
                   +0 :              -0.00066057091575
                2s
                   +0 :               0.00391068981714
                3s
                   +0 :              -0.00168939853328
                2p
                   -1 :               0.00047294325765
                   +0 :              -0.00140783495181
                   +1 :              -0.00285109682242
                3p
                   -1 :              -0.00006413224304
                   +0 :              -0.00008405441368
                   +1 :               0.00199752302215
                3d
                   -2 :               0.00017187811909
                   -1 :               0.00006593283270
                   +0 :               0.00015303186796
                   +1 :               0.00001573646135
                   +2 :              -0.00010159901100
              5 vec=     9.953940     -2.752324     -4.091257   |vec|=   11.108312
                1s
                   +0 :               0.00001432109843
                2s
                   +0 :              -0.00015922639434
                3s
                   +0 :               0.00017671958456
                2p
                   -1 :              -0.00010057382216
                   +0 :               0.00010239888918
                   +1 :              -0.00145336368075
                3p
                   -1 :              -0.00019898894647
                   +0 :              -0.00020149020791
                   +1 :               0.00137875219992
                3d
                   -2 :              -0.00007487580359
                   -1 :               0.00002991052470
                   +0 :              -0.00019744442465
                   +1 :               0.00002628805875
                   +2 :               0.00012818686458
              6 vec=     2.173777     10.723313     -4.091257   |vec|=   11.681316
                1s
                   +0 :               0.00007226895853
                2s
                   +0 :              -0.00008340405563
                3s
                   +0 :               0.00026943362707
                2p
                   -1 :              -0.00034443271656
                   +0 :               0.00067613900903
                   +1 :               0.00039838905997
                3p
                   -1 :               0.00064280088473
                   +0 :              -0.00054023192984
                   +1 :              -0.00042430178459
                3d
                   -2 :               0.00006330567845
                   -1 :               0.00000453496719
                   +0 :              -0.00010885813770
                   +1 :              -0.00009655024817
                   +2 :              -0.00012445371125
              7 vec=     9.953940      6.231434     -4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00000804747171
                2s
                   +0 :               0.00004795148618
                3s
                   +0 :               0.00000766557785
                2p
                   -1 :              -0.00028552596462
                   +0 :               0.00029707898226
                   +1 :               0.00057198091673
                3p
                   -1 :               0.00019503334434
                   +0 :               0.00006470257475
                   +1 :              -0.00045117643241
                3d
                   -2 :               0.00001280254156
                   -1 :               0.00005781763237
                   +0 :              -0.00001199930876
                   +1 :               0.00003611528433
                   +2 :              -0.00003470171433
              8 vec=    -5.606385    -11.736082     -4.091257   |vec|=   13.634719
                1s
                   +0 :               0.00004568876122
                2s
                   +0 :              -0.00085142835199
                3s
                   +0 :              -0.00007082092470
                2p
                   -1 :               0.00018711456877
                   +0 :               0.00006915540644
                   +1 :               0.00045339591827
                3p
                   -1 :               0.00020416600312
                   +0 :               0.00011989527656
                   +1 :              -0.00012181176597
                3d
                   -2 :              -0.00004138135286
                   -1 :              -0.00000762517379
                   +0 :               0.00001315517034
                   +1 :               0.00000827624400
                   +2 :               0.00001717338592
              9 vec=   -13.386548      1.739555     -4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00000696715923
                2s
                   +0 :               0.00003619385620
                3s
                   +0 :              -0.00001262183657
                2p
                   -1 :              -0.00024243668779
                   +0 :               0.00026758605310
                   +1 :              -0.00003885942202
                3p
                   -1 :               0.00013719890233
                   +0 :              -0.00017270272355
                   +1 :              -0.00012696510693
                3d
                   -2 :              -0.00000689842350
                   -1 :              -0.00000445709784
                   +0 :              -0.00000150307013
                   +1 :               0.00000654233285
                   +2 :               0.00002630322330
             10 vec=   -13.386548     -7.244203     -4.091257   |vec|=   15.761235
                1s
                   +0 :               0.00000543457841
                2s
                   +0 :              -0.00009074320511
                3s
                   +0 :              -0.00000455359651
                2p
                   -1 :               0.00004411135029
                   +0 :              -0.00008717110884
                   +1 :               0.00002804984538
                3p
                   -1 :              -0.00006246018800
                   +0 :               0.00004872425318
                   +1 :               0.00003859786905
                3d
                   -2 :               0.00000189461387
                   -1 :               0.00000418072421
                   +0 :              -0.00000524246461
                   +1 :               0.00000522243682
                   +2 :              -0.00000423261538
             11 vec=     9.953940    -11.736082     -4.091257   |vec|=   15.923408
                1s
                   +0 :               0.00006805707178
                2s
                   +0 :              -0.00053528510763
                3s
                   +0 :               0.00017756352600
                2p
                   -1 :               0.00010206990670
                   +0 :               0.00000661437282
                   +1 :              -0.00045747440358
                3p
                   -1 :              -0.00001978998040
                   +0 :              -0.00000283300226
                   +1 :               0.00024385754907
                3d
                   -2 :              -0.00000858981681
                   -1 :              -0.00001710472454
                   +0 :               0.00001821754464
                   +1 :              -0.00000008682927
                   +2 :               0.00001728020749
             12 vec=    -5.606385     15.215192     -4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00001592116623
                2s
                   +0 :               0.00017218389638
                3s
                   +0 :              -0.00003295790017
                2p
                   -1 :               0.00026302638434
                   +0 :              -0.00012331514796
                   +1 :              -0.00035582259035
                3p
                   -1 :              -0.00018220992847
                   +0 :               0.00007618856754
                   +1 :               0.00029003804670
                3d
                   -2 :               0.00001712055759
                   -1 :               0.00000502231845
                   +0 :               0.00000733001003
                   +1 :              -0.00000757717226
                   +2 :               0.00000404738171
             13 vec=     2.173777    -16.227961     -4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00006687086260
                2s
                   +0 :              -0.00062524403214
                3s
                   +0 :               0.00014375613466
                2p
                   -1 :               0.00032600380288
                   +0 :               0.00006869827193
                   +1 :              -0.00020269907477
                3p
                   -1 :              -0.00012412137640
                   +0 :              -0.00000194822128
                   +1 :               0.00014920485455
                3d
                   -2 :              -0.00000992885414
                   -1 :              -0.00000529292189
                   +0 :              -0.00000269768171
                   +1 :               0.00000482244028
                   +2 :               0.00000475280816
             14 vec=   -13.386548     10.723313     -4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00000291035879
                2s
                   +0 :              -0.00003229459702
                3s
                   +0 :               0.00001798265988
                2p
                   -1 :              -0.00009003969060
                   +0 :               0.00007282746306
                   +1 :               0.00002571419445
                3p
                   -1 :               0.00005821424081
                   +0 :              -0.00005063122343
                   +1 :              -0.00006804351754
                3d
                   -2 :              -0.00000111331832
                   -1 :              -0.00000076477449
                   +0 :              -0.00000231894765
                   +1 :              -0.00000257248630
                   +2 :               0.00001061246508
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 26)  npairs=  14
              1 vec=    -2.593388      1.739555     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00050675018624
                2s
                   +0 :               0.01649409850118
                3s
                   +0 :               0.00274231843807
                2p
                   -1 :              -0.00417781553087
                   +0 :              -0.01161949398317
                   +1 :              -0.00363427008272
                3p
                   -1 :               0.00065450622993
                   +0 :              -0.00257091667782
                   +1 :              -0.00488921152715
                3d
                   -2 :              -0.00001715457833
                   -1 :               0.00036380663283
                   +0 :               0.00114746503798
                   +1 :               0.00189065481764
                   +2 :               0.00084872661509
              2 vec=     5.186775     -2.752324     -4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00133987053136
                2s
                   +0 :              -0.00846788414877
                3s
                   +0 :               0.00467627796557
                2p
                   -1 :               0.00860765236686
                   +0 :               0.00123105720336
                   +1 :              -0.00379066449774
                3p
                   -1 :              -0.00778328723444
                   +0 :              -0.00092627003150
                   +1 :               0.00209231149924
                3d
                   -2 :              -0.00045207681222
                   -1 :               0.00003184185504
                   +0 :              -0.00011005285886
                   +1 :              -0.00014000204840
                   +2 :               0.00003629024352
              3 vec=    -2.593388     -7.244203     -4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00066634088979
                2s
                   +0 :              -0.00587361968111
                3s
                   +0 :               0.00103100965390
                2p
                   -1 :               0.00383306194264
                   +0 :               0.00113219053106
                   +1 :               0.00196056579455
                3p
                   -1 :              -0.00164409804553
                   +0 :              -0.00023283521680
                   +1 :              -0.00108590920988
                3d
                   -2 :               0.00005167778236
                   -1 :              -0.00002838558209
                   +0 :              -0.00006300228045
                   +1 :              -0.00003631305110
                   +2 :               0.00005132237464
              4 vec=     5.186775      6.231434     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00022886298551
                2s
                   +0 :               0.00146284466845
                3s
                   +0 :              -0.00036570567737
                2p
                   -1 :              -0.00237756364526
                   +0 :              -0.00307791314197
                   +1 :               0.00025119718998
                3p
                   -1 :               0.00193980255007
                   +0 :               0.00164092848384
                   +1 :               0.00063753850940
                3d
                   -2 :               0.00001540758205
                   -1 :              -0.00002827794105
                   +0 :              -0.00001754720677
                   +1 :               0.00007732667767
                   +2 :              -0.00000713572746
              5 vec=   -10.373550     -2.752324     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00006161656918
                2s
                   +0 :               0.00011545439214
                3s
                   +0 :              -0.00018321658860
                2p
                   -1 :              -0.00016146580647
                   +0 :               0.00012525550372
                   +1 :               0.00033861720593
                3p
                   -1 :               0.00013952312427
                   +0 :              -0.00011398607601
                   +1 :              -0.00007150086941
                3d
                   -2 :              -0.00001827761780
                   -1 :              -0.00001032280063
                   +0 :              -0.00005103118577
                   +1 :              -0.00004745014936
                   +2 :              -0.00001539415413
              6 vec=    -2.593388     10.723313     -4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00002441377951
                2s
                   +0 :               0.00049292420317
                3s
                   +0 :              -0.00005889268892
                2p
                   -1 :              -0.00026455566642
                   +0 :              -0.00093121056675
                   +1 :               0.00070181323348
                3p
                   -1 :               0.00027902119720
                   +0 :               0.00068929405459
                   +1 :              -0.00072482789468
                3d
                   -2 :              -0.00008374445184
                   -1 :               0.00007273980727
                   +0 :               0.00006199356594
                   +1 :              -0.00002778490615
                   +2 :              -0.00004569004208
              7 vec=   -10.373550      6.231434     -4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00000874314318
                2s
                   +0 :               0.00011798321145
                3s
                   +0 :              -0.00005528648130
                2p
                   -1 :               0.00005853755599
                   +0 :               0.00051244936303
                   +1 :               0.00021514877168
                3p
                   -1 :              -0.00007490179246
                   +0 :              -0.00039006001437
                   +1 :              -0.00008629137129
                3d
                   -2 :               0.00002806983070
                   -1 :              -0.00000863429837
                   +0 :               0.00003886558763
                   +1 :               0.00000536843017
                   +2 :              -0.00003408644806
              8 vec=     5.186775    -11.736082     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00017491105171
                2s
                   +0 :              -0.00189149653296
                3s
                   +0 :               0.00026375343449
                2p
                   -1 :               0.00038440535771
                   +0 :               0.00068096796098
                   +1 :              -0.00002107568246
                3p
                   -1 :              -0.00002528477736
                   +0 :              -0.00014324220276
                   +1 :              -0.00015903069921
                3d
                   -2 :               0.00002770155725
                   -1 :              -0.00001376638304
                   +0 :              -0.00003738441064
                   +1 :               0.00001916004018
                   +2 :               0.00004846492393
              9 vec=    12.966938      1.739555     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00001648556066
                2s
                   +0 :               0.00006716147836
                3s
                   +0 :               0.00010173385210
                2p
                   -1 :              -0.00000645105615
                   +0 :               0.00005942744619
                   +1 :              -0.00027547454109
                3p
                   -1 :               0.00000023804645
                   +0 :              -0.00007239318409
                   +1 :               0.00035535795422
                3d
                   -2 :               0.00000449772876
                   -1 :               0.00000318701133
                   +0 :              -0.00000254021067
                   +1 :              -0.00000313631717
                   +2 :               0.00003266504278
             10 vec=    12.966938     -7.244203     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00002473013086
                2s
                   +0 :              -0.00020544603518
                3s
                   +0 :               0.00005545324818
                2p
                   -1 :              -0.00004920006610
                   +0 :               0.00009819274429
                   +1 :              -0.00005055971145
                3p
                   -1 :               0.00002352085978
                   +0 :              -0.00004243106006
                   +1 :              -0.00003816533658
                3d
                   -2 :               0.00001469249382
                   -1 :              -0.00001142218636
                   +0 :               0.00001472036946
                   +1 :              -0.00000522714182
                   +2 :              -0.00000711732773
             11 vec=   -10.373550    -11.736082     -4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00000102389215
                2s
                   +0 :              -0.00012799928981
                3s
                   +0 :              -0.00005421779648
                2p
                   -1 :              -0.00000150174492
                   +0 :              -0.00004794729036
                   +1 :               0.00010584423251
                3p
                   -1 :               0.00003327126840
                   +0 :               0.00005057752226
                   +1 :               0.00004996453304
                3d
                   -2 :               0.00000227576543
                   -1 :               0.00001120755162
                   +0 :               0.00001202605744
                   +1 :              -0.00001153741639
                   +2 :              -0.00000615551493
             12 vec=     5.186775     15.215192     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00004267439206
                2s
                   +0 :               0.00037151889970
                3s
                   +0 :              -0.00007714357385
                2p
                   -1 :               0.00026016813468
                   +0 :               0.00020719757291
                   +1 :               0.00002197828706
                3p
                   -1 :              -0.00008526386192
                   +0 :              -0.00025140611766
                   +1 :               0.00001567662294
                3d
                   -2 :              -0.00000935921858
                   -1 :              -0.00001506589701
                   +0 :              -0.00000514084335
                   +1 :               0.00000282233523
                   +2 :              -0.00000074465637
             13 vec=    -2.593388    -16.227961     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00004550308591
                2s
                   +0 :              -0.00042436954260
                3s
                   +0 :               0.00007534345778
                2p
                   -1 :               0.00016353826475
                   +0 :               0.00001804497185
                   +1 :               0.00019151197762
                3p
                   -1 :              -0.00004041366351
                   +0 :               0.00002026198737
                   +1 :              -0.00011820901826
                3d
                   -2 :               0.00000550661003
                   -1 :               0.00000505110175
                   +0 :              -0.00000700744523
                   +1 :              -0.00000332930101
                   +2 :               0.00001008031605
             14 vec=    12.966938     10.723313     -4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00004051069916
                2s
                   +0 :               0.00031413180087
                3s
                   +0 :              -0.00009840135250
                2p
                   -1 :              -0.00000516062286
                   +0 :              -0.00006866572483
                   +1 :               0.00005480605057
                3p
                   -1 :               0.00001522878473
                   +0 :               0.00002332447886
                   +1 :               0.00000027098722
                3d
                   -2 :              -0.00000117694836
                   -1 :              -0.00000578765660
                   +0 :               0.00000425079490
                   +1 :              -0.00000068850845
                   +2 :              -0.00000612343789
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 27)  npairs=  14
              1 vec=    -0.209805     -3.115717     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00161015017965
                2s
                   +0 :              -0.04216997133246
                3s
                   +0 :               0.00208485600602
                2p
                   -1 :               0.01076701871588
                   +0 :               0.02209917545385
                   +1 :              -0.00286261026658
                3p
                   -1 :               0.00291410754531
                   +0 :               0.00079385499563
                   +1 :               0.00346728499628
                3d
                   -2 :              -0.00009201776339
                   -1 :              -0.00220716891974
                   +0 :              -0.00128645081563
                   +1 :               0.00064699280987
                   +2 :               0.00063462289634
              2 vec=    -0.209805      5.868041     -4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00152913913812
                2s
                   +0 :               0.01332874839557
                3s
                   +0 :              -0.00632508419515
                2p
                   -1 :               0.01634526079758
                   +0 :              -0.01344648222395
                   +1 :              -0.00028940777842
                3p
                   -1 :              -0.01204747201860
                   +0 :               0.00887963166870
                   +1 :               0.00074106072353
                3d
                   -2 :               0.00005092274702
                   -1 :               0.00131054077968
                   +0 :              -0.00047325640227
                   +1 :               0.00005820015133
                   +2 :               0.00067661291980
              3 vec=     7.570358      1.376162     -4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00019792505906
                2s
                   +0 :              -0.00090551495892
                3s
                   +0 :               0.00076036082565
                2p
                   -1 :              -0.00147894001038
                   +0 :               0.00036964614740
                   +1 :               0.00187187883682
                3p
                   -1 :               0.00118629628627
                   +0 :               0.00015477357444
                   +1 :              -0.00107008170293
                3d
                   -2 :              -0.00000951057457
                   -1 :               0.00006012861535
                   +0 :              -0.00008567920481
                   +1 :               0.00010536563701
                   +2 :              -0.00016451348731
              4 vec=    -7.989968      1.376162     -4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00023993107465
                2s
                   +0 :              -0.00170496237047
                3s
                   +0 :               0.00070187926593
                2p
                   -1 :              -0.00001314689742
                   +0 :               0.00059934227783
                   +1 :              -0.00125131306829
                3p
                   -1 :              -0.00054891165370
                   +0 :               0.00003136208523
                   +1 :              -0.00005228658998
                3d
                   -2 :               0.00000984820764
                   -1 :               0.00010391647766
                   +0 :              -0.00006891841576
                   +1 :              -0.00010975509089
                   +2 :              -0.00002091966994
              5 vec=     7.570358     -7.607596     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00010135573216
                2s
                   +0 :               0.00033107028175
                3s
                   +0 :              -0.00058175016711
                2p
                   -1 :              -0.00115931757163
                   +0 :              -0.00008783877818
                   +1 :              -0.00039759904610
                3p
                   -1 :               0.00119119726920
                   +0 :               0.00045500196137
                   +1 :              -0.00024719148085
                3d
                   -2 :               0.00007487068416
                   -1 :               0.00002283851387
                   +0 :               0.00007146962777
                   +1 :               0.00006546948484
                   +2 :               0.00003644017400
              6 vec=    -7.989968     -7.607596     -4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00005795321573
                2s
                   +0 :              -0.00081512756000
                3s
                   +0 :               0.00006520143954
                2p
                   -1 :               0.00035511516646
                   +0 :               0.00061142464047
                   +1 :               0.00074383333429
                3p
                   -1 :              -0.00030562272132
                   +0 :              -0.00035782039108
                   +1 :              -0.00023953707416
                3d
                   -2 :              -0.00001199231102
                   -1 :              -0.00000070868245
                   +0 :               0.00001709309217
                   +1 :              -0.00001463261456
                   +2 :              -0.00001018237917
              7 vec=    -0.209805    -12.099475     -4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00010089053452
                2s
                   +0 :              -0.00130655480289
                3s
                   +0 :               0.00012520253841
                2p
                   -1 :              -0.00024509086824
                   +0 :              -0.00013950193495
                   +1 :              -0.00030979738730
                3p
                   -1 :               0.00054824748990
                   +0 :               0.00018997712788
                   +1 :               0.00014072161628
                3d
                   -2 :               0.00000786850712
                   -1 :              -0.00000152814676
                   +0 :               0.00000794761012
                   +1 :               0.00000157827361
                   +2 :               0.00002251926416
              8 vec=     7.570358     10.359920     -4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00008012233328
                2s
                   +0 :               0.00098324121084
                3s
                   +0 :              -0.00007542535151
                2p
                   -1 :               0.00029737207022
                   +0 :              -0.00000241323611
                   +1 :              -0.00011227042978
                3p
                   -1 :              -0.00024211811240
                   +0 :              -0.00033556751140
                   +1 :               0.00029417150210
                3d
                   -2 :               0.00002638836000
                   -1 :              -0.00003107260085
                   +0 :               0.00002754293596
                   +1 :              -0.00003856274539
                   +2 :               0.00004325952509
              9 vec=    -7.989968     10.359920     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00004636864261
                2s
                   +0 :               0.00019140981055
                3s
                   +0 :               0.00024166506271
                2p
                   -1 :               0.00051848609224
                   +0 :              -0.00023499351593
                   +1 :              -0.00045372510236
                3p
                   -1 :              -0.00039331856771
                   +0 :               0.00009699018955
                   +1 :               0.00024101203926
                3d
                   -2 :               0.00000264019490
                   -1 :               0.00001066607743
                   +0 :               0.00001217122231
                   +1 :              -0.00001913593495
                   +2 :               0.00000875395152
             10 vec=    -0.209805     14.851799     -4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00000282900170
                2s
                   +0 :               0.00013792585769
                3s
                   +0 :               0.00010309074037
                2p
                   -1 :              -0.00014261704729
                   +0 :              -0.00011728310318
                   +1 :              -0.00011195460276
                3p
                   -1 :               0.00023860318945
                   +0 :               0.00004713818868
                   +1 :               0.00004589624496
                3d
                   -2 :               0.00000855103032
                   -1 :               0.00000210515654
                   +0 :               0.00001024506535
                   +1 :              -0.00000031443817
                   +2 :              -0.00001247845010
             11 vec=    15.350520     -3.115717     -4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00004009471459
                2s
                   +0 :               0.00023796851851
                3s
                   +0 :              -0.00012885530959
                2p
                   -1 :              -0.00023707519347
                   +0 :               0.00014918075155
                   +1 :               0.00029543704288
                3p
                   -1 :               0.00014335434200
                   +0 :              -0.00008971303470
                   +1 :              -0.00027418838492
                3d
                   -2 :               0.00001015957284
                   -1 :              -0.00000037947443
                   +0 :               0.00000937681005
                   +1 :              -0.00000575685356
                   +2 :              -0.00001698977504
             12 vec=   -15.770130     -3.115717     -4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00000703847891
                2s
                   +0 :              -0.00010514739188
                3s
                   +0 :               0.00001988521625
                2p
                   -1 :              -0.00008771020139
                   +0 :              -0.00001163595658
                   +1 :              -0.00005533320732
                3p
                   -1 :               0.00008914760276
                   +0 :              -0.00000237311573
                   +1 :               0.00011189885984
                3d
                   -2 :              -0.00000009397516
                   -1 :               0.00000297602336
                   +0 :               0.00001063619064
                   +1 :               0.00001136265670
                   +2 :              -0.00000869793522
             13 vec=    15.350520      5.868041     -4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00000980554611
                2s
                   +0 :               0.00011717696856
                3s
                   +0 :               0.00000036122879
                2p
                   -1 :              -0.00002067164012
                   +0 :               0.00001476953122
                   +1 :               0.00001349006105
                3p
                   -1 :               0.00003132127962
                   +0 :              -0.00002466000856
                   +1 :               0.00003246531458
                3d
                   -2 :               0.00000227932629
                   -1 :              -0.00000114255785
                   +0 :               0.00000241626114
                   +1 :              -0.00000472815362
                   +2 :               0.00000995278407
             14 vec=   -15.770130      5.868041     -4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00002828974411
                2s
                   +0 :               0.00021819716159
                3s
                   +0 :              -0.00007671900939
                2p
                   -1 :               0.00011228400362
                   +0 :              -0.00010344687258
                   +1 :              -0.00006738023693
                3p
                   -1 :              -0.00008195436363
                   +0 :              -0.00000008444313
                   +1 :               0.00004687322355
                3d
                   -2 :              -0.00000194419545
                   -1 :              -0.00000239754292
                   +0 :               0.00000898046779
                   +1 :               0.00000705207140
                   +2 :               0.00000186251989
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 28)  npairs=  15
              1 vec=     5.186256      0.000299      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00025727599310
                2s
                   +0 :               0.00213431335270
                3s
                   +0 :              -0.00062269939620
                2p
                   -1 :              -0.00421211922423
                   +0 :               0.00208525262047
                   +1 :               0.00122429234940
                3p
                   -1 :               0.00235385941789
                   +0 :              -0.00079261201479
                   +1 :              -0.00048858951587
                3d
                   -2 :              -0.00004164568963
                   -1 :               0.00007610466553
                   +0 :               0.00004962069958
                   +1 :              -0.00003110362656
                   +2 :              -0.00002318207632
              2 vec=    -2.593906     -4.491580      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00023762115292
                2s
                   +0 :               0.00148898248959
                3s
                   +0 :              -0.00095135753568
                2p
                   -1 :               0.00082152834812
                   +0 :              -0.00274788938129
                   +1 :               0.00187250066070
                3p
                   -1 :              -0.00012961026198
                   +0 :               0.00065924097587
                   +1 :               0.00071551542916
                3d
                   -2 :              -0.00009186525281
                   -1 :               0.00011577412037
                   +0 :              -0.00004062677256
                   +1 :               0.00030263554031
                   +2 :               0.00002644386192
              3 vec=    -2.593906      4.492178      8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00021829287852
                2s
                   +0 :              -0.00206798751206
                3s
                   +0 :               0.00035041088452
                2p
                   -1 :              -0.00264078810289
                   +0 :               0.00017874167916
                   +1 :               0.00180241588691
                3p
                   -1 :               0.00169074107130
                   +0 :              -0.00070907052577
                   +1 :              -0.00138748682951
                3d
                   -2 :              -0.00014771215252
                   -1 :              -0.00000704307472
                   +0 :              -0.00016054398341
                   +1 :              -0.00005715992247
                   +2 :               0.00007208096504
              4 vec=     5.186256     -8.983459      8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00005335431079
                2s
                   +0 :              -0.00062549605035
                3s
                   +0 :               0.00013192614403
                2p
                   -1 :               0.00025387831225
                   +0 :               0.00028650440173
                   +1 :              -0.00065876846485
                3p
                   -1 :              -0.00003846340843
                   +0 :              -0.00017564447895
                   +1 :               0.00013998967024
                3d
                   -2 :               0.00002166340632
                   -1 :               0.00000597655913
                   +0 :              -0.00002756294814
                   +1 :              -0.00003049007280
                   +2 :              -0.00001005404199
              5 vec=     5.186256      8.984057      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00003154159330
                2s
                   +0 :               0.00038712117807
                3s
                   +0 :              -0.00008996035926
                2p
                   -1 :               0.00014346016227
                   +0 :              -0.00004550696015
                   +1 :               0.00038524849694
                3p
                   -1 :              -0.00007486632647
                   +0 :               0.00022638813123
                   +1 :              -0.00041783184297
                3d
                   -2 :              -0.00002405968898
                   -1 :               0.00001368178199
                   +0 :               0.00003062615588
                   +1 :              -0.00002032752053
                   +2 :               0.00002846320606
              6 vec=   -10.374069      0.000299      8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00006359010781
                2s
                   +0 :              -0.00028095514985
                3s
                   +0 :               0.00024554121599
                2p
                   -1 :               0.00036452675369
                   +0 :              -0.00001000204979
                   +1 :              -0.00011437150082
                3p
                   -1 :              -0.00009838488790
                   +0 :              -0.00001158711980
                   +1 :               0.00008821314225
                3d
                   -2 :              -0.00000088957841
                   -1 :               0.00004088042943
                   +0 :              -0.00000402682088
                   +1 :              -0.00001790722750
                   +2 :              -0.00001688055033
              7 vec=    12.966419     -4.491580      8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00003732051843
                2s
                   +0 :               0.00025639439983
                3s
                   +0 :              -0.00009827283469
                2p
                   -1 :               0.00006778255938
                   +0 :              -0.00000343720786
                   +1 :               0.00006304603368
                3p
                   -1 :              -0.00000965647099
                   +0 :               0.00003560906050
                   +1 :              -0.00003764099458
                3d
                   -2 :               0.00000266264342
                   -1 :              -0.00000331098267
                   +0 :               0.00001149957049
                   +1 :              -0.00000240709046
                   +2 :              -0.00000601336373
              8 vec=    12.966419      4.492178      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00003707415977
                2s
                   +0 :               0.00027641796331
                3s
                   +0 :              -0.00007952377089
                2p
                   -1 :              -0.00012708645633
                   +0 :               0.00004902606328
                   +1 :               0.00028454944587
                3p
                   -1 :               0.00010995273521
                   +0 :               0.00000042650873
                   +1 :              -0.00017591772522
                3d
                   -2 :               0.00000676761504
                   -1 :               0.00000908958166
                   +0 :               0.00000060339222
                   +1 :               0.00000402889324
                   +2 :              -0.00000662864796
              9 vec=    -2.593906    -13.475338      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00003380991656
                2s
                   +0 :              -0.00024291301031
                3s
                   +0 :               0.00002817124253
                2p
                   -1 :               0.00031028979318
                   +0 :              -0.00012521181435
                   +1 :              -0.00002951769565
                3p
                   -1 :              -0.00021932512989
                   +0 :               0.00002827617465
                   +1 :               0.00010548760030
                3d
                   -2 :              -0.00000660119995
                   -1 :               0.00000303015990
                   +0 :              -0.00001703684965
                   +1 :               0.00000362580077
                   +2 :              -0.00000422276466
             10 vec=   -10.374069     -8.983459      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000582177361
                2s
                   +0 :               0.00028994212785
                3s
                   +0 :               0.00012048689879
                2p
                   -1 :              -0.00008842067833
                   +0 :              -0.00009013691700
                   +1 :              -0.00006871177046
                3p
                   -1 :              -0.00004640870989
                   +0 :               0.00014465306253
                   +1 :               0.00005842447586
                3d
                   -2 :               0.00001187376437
                   -1 :               0.00000163721850
                   +0 :               0.00003448159528
                   +1 :               0.00000938962331
                   +2 :              -0.00000414036340
             11 vec=    -2.593906     13.475936      8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00005208138599
                2s
                   +0 :              -0.00038018607910
                3s
                   +0 :               0.00007769345375
                2p
                   -1 :              -0.00016448094574
                   +0 :              -0.00004931177901
                   +1 :               0.00024797738830
                3p
                   -1 :               0.00009482138365
                   +0 :              -0.00006875328190
                   +1 :              -0.00030750774907
                3d
                   -2 :              -0.00002531262368
                   -1 :              -0.00002596933893
                   +0 :              -0.00001919128247
                   +1 :              -0.00001041780197
                   +2 :               0.00001725620140
             12 vec=   -10.374069      8.984057      8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00002434087548
                2s
                   +0 :              -0.00017300846989
                3s
                   +0 :               0.00007930411279
                2p
                   -1 :               0.00006213175106
                   +0 :               0.00001613960580
                   +1 :               0.00002854927527
                3p
                   -1 :              -0.00000522722630
                   +0 :               0.00008427068983
                   +1 :              -0.00000650074723
                3d
                   -2 :              -0.00000021854815
                   -1 :               0.00000988150021
                   +0 :               0.00001313998431
                   +1 :              -0.00000467105870
                   +2 :              -0.00001520107906
             13 vec=     5.186256      0.000299    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000299767568
                2s
                   +0 :              -0.00002699851998
                3s
                   +0 :               0.00001494265765
                2p
                   -1 :              -0.00009400114183
                   +0 :               0.00002074414233
                   +1 :               0.00009313373240
                3p
                   -1 :               0.00001989721195
                   +0 :               0.00001859932243
                   +1 :              -0.00007750486204
                3d
                   -2 :              -0.00000087336491
                   -1 :               0.00000499646115
                   +0 :              -0.00001182298040
                   +1 :               0.00000636585166
                   +2 :               0.00000640111886
             14 vec=    -2.593906     -4.491580    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000461472105
                2s
                   +0 :               0.00002008944943
                3s
                   +0 :              -0.00001212992480
                2p
                   -1 :              -0.00000741157260
                   +0 :              -0.00001619866582
                   +1 :              -0.00010217410435
                3p
                   -1 :              -0.00002780421747
                   +0 :              -0.00000022894592
                   +1 :               0.00003564829255
                3d
                   -2 :               0.00000111273893
                   -1 :               0.00000120429753
                   +0 :               0.00000180959317
                   +1 :               0.00000116855786
                   +2 :               0.00000068733262
             15 vec=    -2.593906      4.492178    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000079037424
                2s
                   +0 :               0.00005696053543
                3s
                   +0 :               0.00001895322230
                2p
                   -1 :              -0.00004459291851
                   +0 :              -0.00004768530547
                   +1 :              -0.00009497136427
                3p
                   -1 :               0.00000984273099
                   +0 :              -0.00003926903671
                   +1 :               0.00004315284370
                3d
                   -2 :              -0.00000206417425
                   -1 :               0.00000110804792
                   +0 :              -0.00000019976438
                   +1 :               0.00000317656542
                   +2 :               0.00000185725594
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 29)  npairs=  15
              1 vec=     2.174296     -4.491580      8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00034310028409
                2s
                   +0 :              -0.00323874957746
                3s
                   +0 :               0.00019737150338
                2p
                   -1 :               0.00024250702275
                   +0 :              -0.00219403512022
                   +1 :              -0.00068554740228
                3p
                   -1 :               0.00051801849281
                   +0 :              -0.00023863996437
                   +1 :              -0.00056149047692
                3d
                   -2 :               0.00011609675959
                   -1 :               0.00010126528568
                   +0 :              -0.00010639976525
                   +1 :              -0.00018932759057
                   +2 :               0.00000700129547
              2 vec=     2.174296      4.492178      8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00012532054317
                2s
                   +0 :              -0.00023475844470
                3s
                   +0 :               0.00051934700560
                2p
                   -1 :               0.00080679232291
                   +0 :               0.00073688877388
                   +1 :              -0.00237557178839
                3p
                   -1 :              -0.00010378547035
                   +0 :               0.00012725491596
                   +1 :               0.00118835539050
                3d
                   -2 :               0.00008079365213
                   -1 :               0.00006837936206
                   +0 :              -0.00008318517580
                   +1 :              -0.00000985602444
                   +2 :               0.00012455627204
              3 vec=    -5.605867      0.000299      8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00009005041751
                2s
                   +0 :               0.00109235008048
                3s
                   +0 :              -0.00027364809281
                2p
                   -1 :               0.00069438746985
                   +0 :               0.00210367845883
                   +1 :              -0.00149712904825
                3p
                   -1 :              -0.00020923182868
                   +0 :              -0.00125811627931
                   +1 :               0.00116128326256
                3d
                   -2 :              -0.00000724173996
                   -1 :               0.00007403266059
                   +0 :              -0.00001774473451
                   +1 :               0.00011518735879
                   +2 :              -0.00011348113572
              4 vec=     9.954459      0.000299      8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00005674957423
                2s
                   +0 :              -0.00033576877490
                3s
                   +0 :               0.00024771774504
                2p
                   -1 :               0.00039530910569
                   +0 :              -0.00035126409645
                   +1 :              -0.00002398470499
                3p
                   -1 :              -0.00033828482052
                   +0 :               0.00015583673997
                   +1 :               0.00002717099240
                3d
                   -2 :              -0.00002112825071
                   -1 :              -0.00003665964643
                   +0 :              -0.00000882273221
                   +1 :               0.00002594345184
                   +2 :               0.00004605421133
              5 vec=    -5.605867     -8.983459      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00009954368331
                2s
                   +0 :               0.00059342970172
                3s
                   +0 :              -0.00014349423927
                2p
                   -1 :              -0.00064698872905
                   +0 :               0.00014810847660
                   +1 :               0.00005699207704
                3p
                   -1 :               0.00024371900795
                   +0 :               0.00006664901841
                   +1 :               0.00022030393987
                3d
                   -2 :              -0.00003622907068
                   -1 :              -0.00004855062070
                   +0 :               0.00000880180828
                   +1 :               0.00003625991187
                   +2 :              -0.00003945644010
              6 vec=    -5.605867      8.984057      8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00002476135529
                2s
                   +0 :              -0.00007914396094
                3s
                   +0 :              -0.00012455270751
                2p
                   -1 :               0.00002628396210
                   +0 :               0.00039010033813
                   +1 :               0.00014324102465
                3p
                   -1 :               0.00005171426388
                   +0 :              -0.00023001341329
                   +1 :              -0.00000059419564
                3d
                   -2 :               0.00004163738999
                   -1 :              -0.00000884583284
                   +0 :               0.00000283335458
                   +1 :               0.00000920000976
                   +2 :              -0.00002818797559
              7 vec=     9.954459     -8.983459      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00010449836683
                2s
                   +0 :               0.00086760261875
                3s
                   +0 :              -0.00018696244532
                2p
                   -1 :               0.00001458434192
                   +0 :               0.00053821680707
                   +1 :               0.00032718564907
                3p
                   -1 :              -0.00010282810389
                   +0 :              -0.00014074659170
                   +1 :              -0.00016344803750
                3d
                   -2 :              -0.00001634687440
                   -1 :              -0.00001907299539
                   +0 :               0.00002552980893
                   +1 :               0.00001949123175
                   +2 :               0.00000296673131
              8 vec=     9.954459      8.984057      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00001066461260
                2s
                   +0 :               0.00005621255291
                3s
                   +0 :               0.00009480810700
                2p
                   -1 :               0.00021189367501
                   +0 :               0.00023940641023
                   +1 :               0.00000220153275
                3p
                   -1 :              -0.00017144676555
                   +0 :              -0.00006945360987
                   +1 :               0.00007496690761
                3d
                   -2 :              -0.00001107139499
                   -1 :              -0.00002481156861
                   +0 :               0.00000390407734
                   +1 :               0.00002314119032
                   +2 :               0.00001303342714
              9 vec=     2.174296    -13.475338      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00001033759480
                2s
                   +0 :              -0.00011513077381
                3s
                   +0 :              -0.00001230060973
                2p
                   -1 :               0.00011833970555
                   +0 :              -0.00001888514555
                   +1 :               0.00011999603871
                3p
                   -1 :              -0.00008143516149
                   +0 :              -0.00006554499310
                   +1 :              -0.00009183256521
                3d
                   -2 :               0.00000192447247
                   -1 :               0.00000779072542
                   +0 :              -0.00000831564871
                   +1 :              -0.00001554514422
                   +2 :              -0.00001685162112
             10 vec=     2.174296     13.475936      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00006981948854
                2s
                   +0 :              -0.00041015217151
                3s
                   +0 :               0.00021225270125
                2p
                   -1 :              -0.00000891981228
                   +0 :               0.00014639932189
                   +1 :              -0.00015671767305
                3p
                   -1 :               0.00010333101357
                   +0 :              -0.00007616632987
                   +1 :               0.00014785409569
                3d
                   -2 :               0.00000808815469
                   -1 :              -0.00000230509450
                   +0 :               0.00000206520667
                   +1 :              -0.00000009034448
                   +2 :               0.00000326724054
             11 vec=   -13.386029     -4.491580      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00008866951249
                2s
                   +0 :               0.00072312671588
                3s
                   +0 :              -0.00017158476095
                2p
                   -1 :               0.00020202335941
                   +0 :              -0.00005614038917
                   +1 :              -0.00011271000659
                3p
                   -1 :              -0.00015484751028
                   +0 :              -0.00000015607447
                   +1 :              -0.00007123498933
                3d
                   -2 :               0.00000553665585
                   -1 :              -0.00000241182528
                   +0 :               0.00000584810828
                   +1 :               0.00001483059140
                   +2 :               0.00000044127088
             12 vec=   -13.386029      4.492178      8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00001871594505
                2s
                   +0 :              -0.00018281413538
                3s
                   +0 :               0.00003198459578
                2p
                   -1 :              -0.00010402690720
                   +0 :              -0.00004819014431
                   +1 :               0.00002271981118
                3p
                   -1 :               0.00005439498559
                   +0 :              -0.00003913414510
                   +1 :              -0.00002932445570
                3d
                   -2 :               0.00000106902975
                   -1 :              -0.00001481949318
                   +0 :              -0.00000979206381
                   +1 :               0.00000134335362
                   +2 :               0.00000420754627
             13 vec=     2.174296     -4.491580    -16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00002216009112
                2s
                   +0 :               0.00019512582919
                3s
                   +0 :              -0.00005457535827
                2p
                   -1 :              -0.00009277021718
                   +0 :              -0.00017165966948
                   +1 :               0.00005470452329
                3p
                   -1 :               0.00003420666182
                   +0 :               0.00006791932515
                   +1 :              -0.00004491361524
                3d
                   -2 :              -0.00000258958555
                   -1 :               0.00000292544486
                   +0 :               0.00000711127844
                   +1 :               0.00000382830962
                   +2 :               0.00000415658477
             14 vec=     2.174296      4.492178    -16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00002482942705
                2s
                   +0 :               0.00022804403206
                3s
                   +0 :              -0.00005770132746
                2p
                   -1 :              -0.00003359562419
                   +0 :              -0.00010554750774
                   +1 :              -0.00004277223806
                3p
                   -1 :               0.00000407014716
                   +0 :               0.00001302234609
                   +1 :               0.00004158945749
                3d
                   -2 :              -0.00000248503812
                   -1 :              -0.00000088941567
                   +0 :              -0.00000105703932
                   +1 :              -0.00000067224777
                   +2 :               0.00000048675531
             15 vec=    -5.605867      0.000299    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000494491791
                2s
                   +0 :              -0.00006336322433
                3s
                   +0 :               0.00000844324470
                2p
                   -1 :              -0.00019541506132
                   +0 :              -0.00002914513933
                   +1 :              -0.00000228454823
                3p
                   -1 :               0.00008310195944
                   +0 :               0.00009810129160
                   +1 :              -0.00001191174137
                3d
                   -2 :               0.00000222994192
                   -1 :               0.00000285335948
                   +0 :              -0.00000575709886
                   +1 :               0.00000123934193
                   +2 :               0.00000115395669
WF             site_B          number of pairs
WF( 33)=[O_10_2py]  to site O ( 30)  npairs=  14
              1 vec=    -0.209805      0.362794      8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00040455225232
                2s
                   +0 :              -0.00329559116569
                3s
                   +0 :               0.00100982817767
                2p
                   -1 :               0.00053548657178
                   +0 :               0.00023873994321
                   +1 :               0.00033523809175
                3p
                   -1 :              -0.00136417437578
                   +0 :              -0.00047487046353
                   +1 :              -0.00078946994063
                3d
                   -2 :               0.00012265661871
                   -1 :              -0.00008156951581
                   +0 :              -0.00013932251875
                   +1 :              -0.00013186211976
                   +2 :              -0.00008590827007
              2 vec=     7.570358     -4.129085      8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00004662577277
                2s
                   +0 :               0.00025576622864
                3s
                   +0 :              -0.00020825418821
                2p
                   -1 :               0.00021353833304
                   +0 :               0.00021310630118
                   +1 :              -0.00061684604838
                3p
                   -1 :              -0.00025892156226
                   +0 :              -0.00034796490478
                   +1 :               0.00046513571198
                3d
                   -2 :              -0.00003483138753
                   -1 :               0.00001754209290
                   +0 :              -0.00005678661090
                   +1 :               0.00002015435911
                   +2 :              -0.00001463708396
              3 vec=    -0.209805     -8.620964      8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00003775765077
                2s
                   +0 :              -0.00028847266746
                3s
                   +0 :              -0.00032039625680
                2p
                   -1 :              -0.00039391513978
                   +0 :              -0.00024712473306
                   +1 :               0.00086758334174
                3p
                   -1 :               0.00048317755745
                   +0 :              -0.00043719760618
                   +1 :              -0.00051962326415
                3d
                   -2 :               0.00000615424779
                   -1 :               0.00005462481173
                   +0 :              -0.00000737357905
                   +1 :               0.00001995412931
                   +2 :              -0.00000526118252
              4 vec=     7.570358      4.854673      8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00014465262640
                2s
                   +0 :               0.00147885378132
                3s
                   +0 :              -0.00051199142988
                2p
                   -1 :               0.00052588911992
                   +0 :               0.00101038177780
                   +1 :               0.00022658143196
                3p
                   -1 :              -0.00053999582558
                   +0 :              -0.00035593931014
                   +1 :               0.00015911010576
                3d
                   -2 :              -0.00009887614838
                   -1 :              -0.00002685378875
                   +0 :               0.00001572699597
                   +1 :              -0.00002382483909
                   +2 :               0.00004051846743
              5 vec=    -7.989968     -4.129085      8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00036172522034
                2s
                   +0 :               0.00338816370820
                3s
                   +0 :              -0.00019529882902
                2p
                   -1 :              -0.00059237170694
                   +0 :               0.00074429354270
                   +1 :              -0.00027399783765
                3p
                   -1 :               0.00042740867016
                   +0 :               0.00067100288497
                   +1 :              -0.00056226532140
                3d
                   -2 :               0.00007128647937
                   -1 :              -0.00006270882008
                   +0 :               0.00017032517741
                   +1 :              -0.00024825452492
                   +2 :               0.00009862557155
              6 vec=    -0.209805      9.346552      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00002291048552
                2s
                   +0 :               0.00044296717259
                3s
                   +0 :              -0.00011634276093
                2p
                   -1 :               0.00104618265666
                   +0 :               0.00124654407891
                   +1 :               0.00022976246795
                3p
                   -1 :              -0.00072232472066
                   +0 :              -0.00076198650056
                   +1 :              -0.00039555647963
                3d
                   -2 :              -0.00003179587212
                   -1 :              -0.00003810099454
                   +0 :              -0.00002606584182
                   +1 :              -0.00003812830248
                   +2 :               0.00000977482362
              7 vec=    -7.989968      4.854673      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00003851767012
                2s
                   +0 :               0.00030175092266
                3s
                   +0 :              -0.00013944432185
                2p
                   -1 :               0.00017592974571
                   +0 :               0.00013071097119
                   +1 :              -0.00035711581197
                3p
                   -1 :              -0.00013005781763
                   +0 :              -0.00002368188467
                   +1 :               0.00027164733921
                3d
                   -2 :              -0.00000848542305
                   -1 :              -0.00003277092435
                   +0 :              -0.00000486834171
                   +1 :              -0.00002549423989
                   +2 :              -0.00003309477148
              8 vec=    -0.209805      0.362794    -16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00000446648983
                2s
                   +0 :               0.00001074266222
                3s
                   +0 :               0.00003465598035
                2p
                   -1 :               0.00005289680977
                   +0 :               0.00000879920071
                   +1 :              -0.00005643527999
                3p
                   -1 :              -0.00006533925769
                   +0 :              -0.00005331440000
                   +1 :               0.00001716900970
                3d
                   -2 :              -0.00000180307177
                   -1 :               0.00000896747292
                   +0 :               0.00000234956789
                   +1 :              -0.00000130094577
                   +2 :              -0.00000021198331
              9 vec=     7.570358    -13.112843      8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00001256624287
                2s
                   +0 :              -0.00012047497041
                3s
                   +0 :               0.00002694956794
                2p
                   -1 :              -0.00001246193705
                   +0 :              -0.00010803869350
                   +1 :              -0.00030031693213
                3p
                   -1 :               0.00001286989378
                   +0 :               0.00010608334627
                   +1 :               0.00013767455371
                3d
                   -2 :              -0.00000201039002
                   -1 :              -0.00000229938698
                   +0 :               0.00000678101478
                   +1 :               0.00000454394295
                   +2 :               0.00000323238394
             10 vec=    15.350520      0.362794      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000433825053
                2s
                   +0 :               0.00006367068912
                3s
                   +0 :              -0.00000274747302
                2p
                   -1 :               0.00002341332930
                   +0 :               0.00005951444866
                   +1 :               0.00003957056026
                3p
                   -1 :              -0.00004664486710
                   +0 :              -0.00001577120845
                   +1 :              -0.00001993481448
                3d
                   -2 :              -0.00000458100319
                   -1 :               0.00000111540658
                   +0 :               0.00000463647428
                   +1 :               0.00000224171068
                   +2 :              -0.00000035403070
             11 vec=    -7.989968    -13.112843      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00001349893974
                2s
                   +0 :               0.00020371393426
                3s
                   +0 :              -0.00001424715005
                2p
                   -1 :              -0.00007740284377
                   +0 :              -0.00002433619341
                   +1 :               0.00002788724139
                3p
                   -1 :              -0.00000914340149
                   +0 :               0.00002582302896
                   +1 :              -0.00000364765643
                3d
                   -2 :               0.00000288561447
                   -1 :              -0.00000234678877
                   +0 :              -0.00000600532117
                   +1 :              -0.00000278545543
                   +2 :               0.00000123934277
             12 vec=     7.570358     13.838431      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000189004116
                2s
                   +0 :              -0.00000019856587
                3s
                   +0 :              -0.00000900274975
                2p
                   -1 :               0.00013275683297
                   +0 :               0.00005687807667
                   +1 :              -0.00007045105676
                3p
                   -1 :              -0.00000274100294
                   +0 :              -0.00003086714817
                   +1 :               0.00001575795927
                3d
                   -2 :               0.00000093561988
                   -1 :               0.00001010174149
                   +0 :              -0.00000883083298
                   +1 :              -0.00000690061451
                   +2 :              -0.00000884457273
             13 vec=   -15.770130      0.362794      8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000136901064
                2s
                   +0 :              -0.00004257534683
                3s
                   +0 :              -0.00000628068050
                2p
                   -1 :               0.00019940346788
                   +0 :              -0.00015347319499
                   +1 :               0.00003631092394
                3p
                   -1 :              -0.00008769791009
                   +0 :               0.00003141129395
                   +1 :               0.00000867883156
                3d
                   -2 :              -0.00000445764072
                   -1 :               0.00000727011490
                   +0 :              -0.00000343084746
                   +1 :               0.00000866794485
                   +2 :              -0.00000331435550
             14 vec=    -7.989968     13.838431      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00001867520487
                2s
                   +0 :              -0.00018822492228
                3s
                   +0 :               0.00001424864121
                2p
                   -1 :              -0.00009032525337
                   +0 :              -0.00006146844178
                   +1 :               0.00001480611168
                3p
                   -1 :               0.00005155846002
                   +0 :               0.00003729935774
                   +1 :               0.00003109274610
                3d
                   -2 :               0.00000740687933
                   -1 :              -0.00000169382656
                   +0 :               0.00000357110945
                   +1 :               0.00000938624087
                   +2 :              -0.00000638171904
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al(  1)  npairs=  13
              1 vec=    -2.803193     -1.376162      6.601980   |vec|=    7.303276
                2s
                   +0 :              -0.00113483181771
                2p
                   -1 :               0.00065267063662
                   +0 :              -0.00103745755393
                   +1 :               0.00111203376523
                3s
                   +0 :               0.00569008839015
                4s
                   +0 :              -0.00199513891129
                3p
                   -1 :              -0.00323180955991
                   +0 :               0.00591130732255
                   +1 :              -0.00556320599701
                4p
                   -1 :               0.00051971874205
                   +0 :              -0.00194851742704
                   +1 :               0.00047528568729
                3d
                   -2 :              -0.00405342683937
                   -1 :               0.00072218352214
                   +0 :               0.00211813396973
                   +1 :               0.00127177487260
                   +2 :              -0.00142179550050
              2 vec=     4.976970      3.115717      6.601980   |vec|=    8.835387
                2s
                   +0 :              -0.00117328817670
                2p
                   -1 :               0.00035128276495
                   +0 :               0.00006920296323
                   +1 :              -0.00006980526436
                3s
                   +0 :               0.01672931012717
                4s
                   +0 :              -0.00045040253907
                3p
                   -1 :               0.00326152555081
                   +0 :               0.00820196963629
                   +1 :               0.00971559304821
                4p
                   -1 :               0.00065588361791
                   +0 :               0.00043896644983
                   +1 :               0.00009624910521
                3d
                   -2 :               0.00236669864264
                   -1 :               0.00191892536505
                   +0 :               0.00058982440156
                   +1 :               0.00394604899352
                   +2 :               0.00164214607470
              3 vec=     4.976970     -5.868041      6.601980   |vec|=   10.138554
                2s
                   +0 :               0.00068735835481
                2p
                   -1 :              -0.00018769482778
                   +0 :               0.00052554536380
                   +1 :              -0.00075382822112
                3s
                   +0 :               0.00005847922711
                4s
                   +0 :              -0.00092654357581
                3p
                   -1 :              -0.00042599686376
                   +0 :              -0.00221638521507
                   +1 :               0.00406510163153
                4p
                   -1 :               0.00065222693152
                   +0 :               0.00004592720573
                   +1 :              -0.00139319912670
                3d
                   -2 :              -0.00149756414757
                   -1 :               0.00000963219992
                   +0 :              -0.00007988612100
                   +1 :               0.00042681207076
                   +2 :               0.00035949032822
              4 vec=    -2.803193      7.607596      6.601980   |vec|=   10.455599
                2s
                   +0 :              -0.00056473470992
                2p
                   -1 :              -0.00026968210070
                   +0 :               0.00001596340547
                   +1 :               0.00001878399228
                3s
                   +0 :               0.00299902595448
                4s
                   +0 :              -0.00103488819506
                3p
                   -1 :               0.00195558140434
                   +0 :              -0.00028821577368
                   +1 :              -0.00059245423312
                4p
                   -1 :              -0.00062914844595
                   +0 :               0.00007651882027
                   +1 :               0.00023574096151
                3d
                   -2 :              -0.00026561590717
                   -1 :               0.00024874677937
                   +0 :               0.00025275533295
                   +1 :              -0.00000624632774
                   +2 :              -0.00027141402526
              5 vec=    -2.803193    -10.359920      6.601980   |vec|=   12.600475
                2s
                   +0 :              -0.00023127755305
                2p
                   -1 :               0.00000293135498
                   +0 :              -0.00006701255381
                   +1 :              -0.00007899966416
                3s
                   +0 :               0.00111064459184
                4s
                   +0 :              -0.00004111711318
                3p
                   -1 :              -0.00011102933988
                   +0 :               0.00083146570159
                   +1 :               0.00067088639859
                4p
                   -1 :              -0.00017152425679
                   +0 :              -0.00005357483007
                   +1 :              -0.00020978686960
                3d
                   -2 :              -0.00010618353698
                   -1 :              -0.00020058079075
                   +0 :               0.00019993590240
                   +1 :               0.00002017970168
                   +2 :              -0.00008298735233
              6 vec=   -10.583355      3.115717      6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00031841136270
                2p
                   -1 :               0.00003162272375
                   +0 :               0.00010934542152
                   +1 :              -0.00014372428177
                3s
                   +0 :              -0.00028442146048
                4s
                   +0 :               0.00027902708710
                3p
                   -1 :               0.00000631770454
                   +0 :              -0.00013004125765
                   +1 :               0.00042995155480
                4p
                   -1 :               0.00002950942579
                   +0 :               0.00014075042980
                   +1 :              -0.00006486817329
                3d
                   -2 :              -0.00000888011892
                   -1 :              -0.00006886840407
                   +0 :              -0.00005021460651
                   +1 :               0.00004540003680
                   +2 :               0.00002596951822
              7 vec=   -10.583355     -5.868041      6.601980   |vec|=   13.785044
                2s
                   +0 :               0.00013997263828
                2p
                   -1 :               0.00006157946383
                   +0 :              -0.00001664931540
                   +1 :              -0.00004235778444
                3s
                   +0 :              -0.00092924756911
                4s
                   +0 :               0.00034477159501
                3p
                   -1 :               0.00004964908006
                   +0 :               0.00060146973425
                   +1 :               0.00047763315971
                4p
                   -1 :              -0.00015843722424
                   +0 :              -0.00002086327088
                   +1 :              -0.00011085672300
                3d
                   -2 :              -0.00009504914098
                   -1 :              -0.00015320068491
                   +0 :              -0.00024645063291
                   +1 :               0.00002722486985
                   +2 :               0.00004062227684
              8 vec=    12.757133     -1.376162      6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00024123836087
                2p
                   -1 :               0.00002231794090
                   +0 :               0.00002412011788
                   +1 :               0.00004548524302
                3s
                   +0 :              -0.00073625237806
                4s
                   +0 :               0.00027667712559
                3p
                   -1 :              -0.00019637176730
                   +0 :              -0.00021033920603
                   +1 :              -0.00018129642052
                4p
                   -1 :               0.00004265438398
                   +0 :               0.00010820248260
                   +1 :               0.00002871429815
                3d
                   -2 :              -0.00012823866310
                   -1 :               0.00001396800912
                   +0 :              -0.00001470503937
                   +1 :              -0.00001997469852
                   +2 :               0.00004756187237
              9 vec=     4.976970     12.099475      6.601980   |vec|=   14.654476
                2s
                   +0 :               0.00006473574981
                2p
                   -1 :               0.00004260103703
                   +0 :               0.00001619868453
                   +1 :               0.00000085377072
                3s
                   +0 :              -0.00005635752405
                4s
                   +0 :               0.00001404326067
                3p
                   -1 :              -0.00021216894205
                   +0 :              -0.00003220092156
                   +1 :              -0.00007552723265
                4p
                   -1 :               0.00002847189250
                   +0 :               0.00001240159597
                   +1 :               0.00003511902153
                3d
                   -2 :              -0.00000153315438
                   -1 :               0.00001689686033
                   +0 :               0.00001045523152
                   +1 :               0.00000848817707
                   +2 :               0.00000285168483
             10 vec=    12.757133      7.607596      6.601980   |vec|=   16.254417
                2s
                   +0 :              -0.00011145324279
                2p
                   -1 :              -0.00003186362535
                   +0 :              -0.00005408301763
                   +1 :              -0.00002317437483
                3s
                   +0 :               0.00039790343900
                4s
                   +0 :              -0.00012131032762
                3p
                   -1 :               0.00017435434967
                   +0 :               0.00024860817807
                   +1 :               0.00008161765166
                4p
                   -1 :              -0.00004050607626
                   +0 :              -0.00006717934513
                   +1 :              -0.00000523423695
                3d
                   -2 :               0.00000399937286
                   -1 :               0.00003173006748
                   +0 :               0.00004529379463
                   +1 :               0.00005150815518
                   +2 :              -0.00001201305879
             11 vec=     4.976970    -14.851799      6.601980   |vec|=   16.998009
                2s
                   +0 :              -0.00001625855875
                2p
                   -1 :               0.00000186868116
                   +0 :               0.00001624986499
                   +1 :               0.00000269082044
                3s
                   +0 :               0.00008287672502
                4s
                   +0 :               0.00001133643875
                3p
                   -1 :               0.00000508656346
                   +0 :              -0.00003285708629
                   +1 :              -0.00002855402999
                4p
                   -1 :              -0.00003319103448
                   +0 :               0.00001711833407
                   +1 :              -0.00000933381489
                3d
                   -2 :              -0.00002668728164
                   -1 :               0.00000396570725
                   +0 :               0.00001647585326
                   +1 :              -0.00000678975144
                   +2 :              -0.00000241686857
             12 vec=   -10.583355     12.099475      6.601980   |vec|=   17.377884
                2s
                   +0 :              -0.00009399123102
                2p
                   -1 :               0.00000970042236
                   +0 :              -0.00004758386115
                   +1 :               0.00003648151863
                3s
                   +0 :               0.00049439486916
                4s
                   +0 :              -0.00010616361861
                3p
                   -1 :              -0.00006139276521
                   +0 :               0.00032174995474
                   +1 :              -0.00024050410488
                4p
                   -1 :               0.00002495957988
                   +0 :              -0.00005095800779
                   +1 :               0.00003719978310
                3d
                   -2 :               0.00000448832746
                   -1 :               0.00004664089765
                   +0 :               0.00005239577603
                   +1 :              -0.00006990566527
                   +2 :               0.00004430275310
             13 vec=    12.757133    -10.359920      6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00003529410941
                2p
                   -1 :              -0.00001725391094
                   +0 :               0.00001789465233
                   +1 :              -0.00002247522858
                3s
                   +0 :               0.00028021727869
                4s
                   +0 :              -0.00012992102848
                3p
                   -1 :               0.00009129434536
                   +0 :              -0.00013849341639
                   +1 :               0.00020981693331
                4p
                   -1 :              -0.00002497706619
                   +0 :               0.00000802040422
                   +1 :              -0.00008070862050
                3d
                   -2 :              -0.00001227228851
                   -1 :               0.00000430718707
                   +0 :               0.00004498178858
                   +1 :              -0.00004381129834
                   +2 :               0.00003213596651
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al(  2)  npairs=  15
              1 vec=    -2.803193     -1.376162    -10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00067085642809
                2p
                   -1 :               0.00011565057694
                   +0 :               0.00037540995763
                   +1 :               0.00043662827882
                3s
                   +0 :               0.00024724285423
                4s
                   +0 :              -0.00016115416519
                3p
                   -1 :              -0.00141847764152
                   +0 :              -0.00034968590081
                   +1 :              -0.00218572973746
                4p
                   -1 :               0.00033903158872
                   +0 :               0.00007397145160
                   +1 :               0.00040772951486
                3d
                   -2 :               0.00008468476406
                   -1 :               0.00014477664698
                   +0 :              -0.00010670251946
                   +1 :               0.00022198329854
                   +2 :               0.00007459216004
              2 vec=     4.976970      3.115717    -10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00008129229678
                2p
                   -1 :              -0.00006358775461
                   +0 :               0.00005587290508
                   +1 :               0.00002559436310
                3s
                   +0 :              -0.00133241425979
                4s
                   +0 :               0.00033136541481
                3p
                   -1 :               0.00059179543335
                   +0 :              -0.00033670039557
                   +1 :              -0.00074611413373
                4p
                   -1 :               0.00003951394570
                   +0 :              -0.00003268231618
                   +1 :               0.00000468904811
                3d
                   -2 :               0.00064549802821
                   -1 :              -0.00033951479292
                   +0 :               0.00054103833261
                   +1 :              -0.00008367105574
                   +2 :               0.00000717868439
              3 vec=     4.976970     -5.868041    -10.693237   |vec|=   13.173817
                2s
                   +0 :               0.00034562444884
                2p
                   -1 :              -0.00007458022143
                   +0 :              -0.00004797828470
                   +1 :              -0.00013206970639
                3s
                   +0 :              -0.00257820516706
                4s
                   +0 :               0.00035625993277
                3p
                   -1 :               0.00113351837116
                   +0 :               0.00121265845436
                   +1 :              -0.00021434412143
                4p
                   -1 :              -0.00019668335844
                   +0 :              -0.00008860667286
                   +1 :              -0.00015435715828
                3d
                   -2 :               0.00018009353353
                   -1 :              -0.00027606842549
                   +0 :              -0.00020113807411
                   +1 :               0.00016662249106
                   +2 :              -0.00003715561764
              4 vec=    -2.803193      7.607596    -10.693237   |vec|=   13.419341
                2s
                   +0 :               0.00029569703831
                2p
                   -1 :               0.00005319779564
                   +0 :              -0.00001916432992
                   +1 :               0.00002718317530
                3s
                   +0 :              -0.00276159649483
                4s
                   +0 :               0.00048086178357
                3p
                   -1 :              -0.00161614144330
                   +0 :               0.00112379183493
                   +1 :              -0.00004163102764
                4p
                   -1 :               0.00012161710490
                   +0 :              -0.00010054169761
                   +1 :              -0.00006014421647
                3d
                   -2 :              -0.00001628816749
                   -1 :               0.00050622557796
                   +0 :              -0.00027057216093
                   +1 :               0.00010131532068
                   +2 :               0.00038093423325
              5 vec=    -2.803193     -1.376162     13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00000719268853
                2p
                   -1 :              -0.00010220682826
                   +0 :               0.00001801564744
                   +1 :              -0.00006335614966
                3s
                   +0 :               0.00013474798696
                4s
                   +0 :              -0.00005266337197
                3p
                   -1 :               0.00044687634306
                   +0 :              -0.00011168325476
                   +1 :               0.00027892770186
                4p
                   -1 :              -0.00009923259190
                   +0 :               0.00004691158095
                   +1 :              -0.00003759472006
                3d
                   -2 :              -0.00004933649523
                   -1 :               0.00005701647936
                   +0 :              -0.00001081160262
                   +1 :               0.00000651724629
                   +2 :               0.00006550008254
              6 vec=     4.976970      3.115717     13.854306   |vec|=   15.047249
                2s
                   +0 :              -0.00019014982974
                2p
                   -1 :              -0.00007303236168
                   +0 :              -0.00002613499168
                   +1 :              -0.00012743680626
                3s
                   +0 :               0.00055558123543
                4s
                   +0 :              -0.00011278971023
                3p
                   -1 :               0.00017760498130
                   +0 :               0.00002263915298
                   +1 :               0.00045373166696
                4p
                   -1 :               0.00001332881393
                   +0 :              -0.00002294178662
                   +1 :              -0.00007262420058
                3d
                   -2 :               0.00010760877936
                   -1 :               0.00001885921703
                   +0 :              -0.00008573690348
                   +1 :              -0.00000205162238
                   +2 :               0.00007497339065
              7 vec=    -2.803193    -10.359920    -10.693237   |vec|=   15.150285
                2s
                   +0 :              -0.00001232586853
                2p
                   -1 :               0.00000396897150
                   +0 :               0.00002340996165
                   +1 :               0.00005648638021
                3s
                   +0 :               0.00010502651468
                4s
                   +0 :              -0.00002846963000
                3p
                   -1 :              -0.00009462362070
                   +0 :              -0.00022567400075
                   +1 :              -0.00035204496014
                4p
                   -1 :               0.00004160069374
                   +0 :               0.00004700607668
                   +1 :               0.00004858600452
                3d
                   -2 :               0.00002668316318
                   -1 :               0.00004206103430
                   +0 :              -0.00004410744445
                   +1 :               0.00004564004105
                   +2 :              -0.00002066134744
              8 vec=   -10.583355      3.115717    -10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00005952266524
                2p
                   -1 :              -0.00002296140498
                   +0 :               0.00000104196285
                   +1 :              -0.00002437388220
                3s
                   +0 :              -0.00003143811633
                4s
                   +0 :              -0.00003383348368
                3p
                   -1 :               0.00013372021827
                   +0 :              -0.00009467676933
                   +1 :               0.00010554207344
                4p
                   -1 :              -0.00004593278677
                   +0 :               0.00005475666197
                   +1 :              -0.00000452092994
                3d
                   -2 :              -0.00003724766641
                   -1 :              -0.00001443329462
                   +0 :              -0.00001029077898
                   +1 :              -0.00000137084066
                   +2 :              -0.00000313416278
              9 vec=     4.976970     -5.868041     13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00006301619339
                2p
                   -1 :               0.00000661737018
                   +0 :              -0.00002284112291
                   +1 :              -0.00001405848958
                3s
                   +0 :               0.00059062072152
                4s
                   +0 :              -0.00013597947195
                3p
                   -1 :              -0.00027795220523
                   +0 :               0.00032359149399
                   +1 :               0.00011224191623
                4p
                   -1 :               0.00003290479324
                   +0 :              -0.00011283288099
                   +1 :              -0.00000749291727
                3d
                   -2 :               0.00002271041174
                   -1 :              -0.00005649281756
                   +0 :               0.00003716680276
                   +1 :               0.00004356909308
                   +2 :              -0.00003118478221
             10 vec=    -2.803193      7.607596     13.854306   |vec|=   16.052264
                2s
                   +0 :               0.00001818563698
                2p
                   -1 :              -0.00001378716969
                   +0 :               0.00000284777177
                   +1 :              -0.00002284440786
                3s
                   +0 :               0.00047605427396
                4s
                   +0 :              -0.00009334954118
                3p
                   -1 :               0.00026264059568
                   +0 :               0.00025897032287
                   +1 :              -0.00017108782500
                4p
                   -1 :              -0.00003846457477
                   +0 :              -0.00010318857727
                   +1 :              -0.00005061836312
                3d
                   -2 :              -0.00011081972755
                   -1 :               0.00003478634718
                   +0 :               0.00001856368796
                   +1 :               0.00003536672407
                   +2 :              -0.00000768583867
             11 vec=   -10.583355     -5.868041    -10.693237   |vec|=   16.148889
                2s
                   +0 :              -0.00026601413315
                2p
                   -1 :               0.00004573021195
                   +0 :               0.00008184306726
                   +1 :               0.00007235653660
                3s
                   +0 :               0.00108832894718
                4s
                   +0 :              -0.00039666848972
                3p
                   -1 :              -0.00027556505293
                   +0 :              -0.00045535370800
                   +1 :              -0.00039069150973
                4p
                   -1 :               0.00008498580156
                   +0 :               0.00015792390739
                   +1 :               0.00008697274391
                3d
                   -2 :               0.00004948262195
                   -1 :               0.00003679234719
                   +0 :               0.00001765373719
                   +1 :               0.00007385378700
                   +2 :               0.00004615464581
             12 vec=    12.757133     -1.376162    -10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00006384054290
                2p
                   -1 :              -0.00000215316060
                   +0 :               0.00004612027027
                   +1 :              -0.00003326028994
                3s
                   +0 :               0.00021694240186
                4s
                   +0 :              -0.00009032072422
                3p
                   -1 :              -0.00001964728871
                   +0 :              -0.00028748269633
                   +1 :               0.00027620939685
                4p
                   -1 :               0.00002221915000
                   +0 :               0.00006956926027
                   +1 :              -0.00005053192784
                3d
                   -2 :               0.00004022803969
                   -1 :               0.00000535390726
                   +0 :               0.00004188162841
                   +1 :              -0.00008441041309
                   +2 :               0.00004444856298
             13 vec=     4.976970     12.099475    -10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00005979983537
                2p
                   -1 :              -0.00000508412311
                   +0 :              -0.00001147725264
                   +1 :              -0.00000829483278
                3s
                   +0 :              -0.00029209230873
                4s
                   +0 :               0.00003102597354
                3p
                   -1 :               0.00007107997436
                   +0 :               0.00007674802944
                   +1 :               0.00010945546331
                4p
                   -1 :              -0.00003757932413
                   +0 :               0.00000718287453
                   +1 :              -0.00003220884277
                3d
                   -2 :               0.00002566307942
                   -1 :               0.00001286854886
                   +0 :              -0.00002836963787
                   +1 :              -0.00002812463960
                   +2 :              -0.00001586392213
             14 vec=    -2.803193    -10.359920     13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00000594730042
                2p
                   -1 :              -0.00000189486128
                   +0 :               0.00000052038685
                   +1 :              -0.00001370676122
                3s
                   +0 :               0.00019592636904
                4s
                   +0 :              -0.00000174254359
                3p
                   -1 :              -0.00020953904712
                   +0 :               0.00005042844905
                   +1 :               0.00003938703655
                4p
                   -1 :               0.00000599004867
                   +0 :              -0.00000167999209
                   +1 :              -0.00004669599970
                3d
                   -2 :               0.00002508161946
                   -1 :              -0.00005380302547
                   +0 :              -0.00003473918395
                   +1 :              -0.00000122885197
                   +2 :              -0.00011290627901
             15 vec=   -10.583355      3.115717     13.854306   |vec|=   17.710361
                2s
                   +0 :               0.00000418202508
                2p
                   -1 :              -0.00001215015513
                   +0 :              -0.00001529263019
                   +1 :              -0.00000025056378
                3s
                   +0 :              -0.00016877370713
                4s
                   +0 :              -0.00003252291006
                3p
                   -1 :              -0.00004383823946
                   +0 :               0.00008151210432
                   +1 :               0.00008588764288
                4p
                   -1 :              -0.00003264603911
                   +0 :              -0.00002030149446
                   +1 :               0.00000305571516
                3d
                   -2 :               0.00007294416520
                   -1 :               0.00000889816913
                   +0 :               0.00002432849128
                   +1 :              -0.00003094813368
                   +2 :              -0.00000202436484
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Cr(  3)  npairs=  14
              1 vec=    -2.803193     -1.376162      1.580534   |vec|=    3.499971
                3s
                   +0 :              -0.04177571701933
                3p
                   -1 :               0.02626125286070
                   +0 :              -0.00880554884047
                   +1 :               0.05283737421181
                4s
                   +0 :              -0.00900212458445
                5s
                   +0 :              -0.00410838035361
                3d
                   -2 :              -0.02860786826932
                   -1 :              -0.00213436219613
                   +0 :               0.03705761559256
                   +1 :              -0.00105278317872
                   +2 :              -0.02437305521383
                4d
                   -2 :              -0.00347584427067
                   -1 :              -0.00075978120532
                   +0 :               0.00440859556977
                   +1 :              -0.00510972442315
                   +2 :              -0.00335210145992
                4p
                   -1 :               0.01339622409444
                   +0 :               0.01084794459561
                   +1 :               0.02528371740808
              2 vec=     4.976970      3.115717      1.580534   |vec|=    6.080790
                3s
                   +0 :               0.00261743803704
                3p
                   -1 :               0.00176828542449
                   +0 :              -0.00070606754874
                   +1 :               0.00083620823749
                4s
                   +0 :              -0.00358293083341
                5s
                   +0 :               0.00103829766702
                3d
                   -2 :              -0.00374806293447
                   -1 :              -0.00043463678792
                   +0 :              -0.00193124025806
                   +1 :              -0.00103088298463
                   +2 :              -0.00302770920225
                4d
                   -2 :              -0.00173000571210
                   -1 :               0.00031536780049
                   +0 :               0.00084047196981
                   +1 :               0.00063848719633
                   +2 :              -0.00163837573685
                4p
                   -1 :              -0.00101283681371
                   +0 :              -0.00117032563132
                   +1 :              -0.00210632264519
              3 vec=     4.976970     -5.868041      1.580534   |vec|=    7.855076
                3s
                   +0 :               0.00063988738560
                3p
                   -1 :              -0.00109693894654
                   +0 :               0.00006789015773
                   +1 :               0.00006855517966
                4s
                   +0 :               0.00263395689440
                5s
                   +0 :              -0.00019937790397
                3d
                   -2 :              -0.00276715316394
                   -1 :              -0.00012109556947
                   +0 :              -0.00221055909276
                   +1 :               0.00053036093759
                   +2 :               0.00070022329908
                4d
                   -2 :              -0.00074310182952
                   -1 :              -0.00034845626856
                   +0 :              -0.00066977537393
                   +1 :               0.00073030308136
                   +2 :               0.00136020508686
                4p
                   -1 :              -0.00100391360574
                   +0 :              -0.00004507517670
                   +1 :               0.00385404583698
              4 vec=    -2.803193      7.607596      1.580534   |vec|=    8.260236
                3s
                   +0 :               0.00051586146259
                3p
                   -1 :               0.00057295905793
                   +0 :              -0.00026403315015
                   +1 :              -0.00062689771505
                4s
                   +0 :              -0.00126425174882
                5s
                   +0 :               0.00028143382773
                3d
                   -2 :              -0.00070756822701
                   -1 :              -0.00011628630329
                   +0 :              -0.00065309494758
                   +1 :              -0.00084773600779
                   +2 :              -0.00110392267977
                4d
                   -2 :               0.00120671615967
                   -1 :               0.00077087298683
                   +0 :               0.00018815889150
                   +1 :               0.00041277082137
                   +2 :               0.00001533881991
                4p
                   -1 :              -0.00035343859892
                   +0 :               0.00053868357862
                   +1 :               0.00107872834004
              5 vec=    -2.803193    -10.359920      1.580534   |vec|=   10.848222
                3s
                   +0 :              -0.00031632080363
                3p
                   -1 :               0.00022248491760
                   +0 :              -0.00002542913412
                   +1 :               0.00001394881819
                4s
                   +0 :              -0.00009318100126
                5s
                   +0 :               0.00002568561398
                3d
                   -2 :              -0.00000858373268
                   -1 :              -0.00090500926807
                   +0 :              -0.00015542730335
                   +1 :               0.00028353121435
                   +2 :               0.00035121623052
                4d
                   -2 :               0.00001762917828
                   -1 :              -0.00002852915134
                   +0 :              -0.00005251276613
                   +1 :              -0.00024819237656
                   +2 :               0.00020416441604
                4p
                   -1 :               0.00003951989315
                   +0 :               0.00026846811592
                   +1 :              -0.00032429951532
              6 vec=   -10.583355      3.115717      1.580534   |vec|=   11.145097
                3s
                   +0 :              -0.00019691971586
                3p
                   -1 :              -0.00019379685071
                   +0 :               0.00008355031492
                   +1 :               0.00014833440159
                4s
                   +0 :              -0.00046210256898
                5s
                   +0 :               0.00013419912485
                3d
                   -2 :               0.00013827405907
                   -1 :               0.00020134508027
                   +0 :              -0.00000869748039
                   +1 :              -0.00006030573346
                   +2 :              -0.00019380761068
                4d
                   -2 :               0.00038028565439
                   -1 :              -0.00007311573747
                   +0 :              -0.00015999584790
                   +1 :              -0.00013775361802
                   +2 :              -0.00006403321849
                4p
                   -1 :              -0.00007747238564
                   +0 :              -0.00013380302878
                   +1 :               0.00009092630753
              7 vec=   -10.583355     -5.868041      1.580534   |vec|=   12.204073
                3s
                   +0 :              -0.00030723065695
                3p
                   -1 :               0.00031705674498
                   +0 :               0.00004883860581
                   +1 :              -0.00010138347536
                4s
                   +0 :               0.00092435947701
                5s
                   +0 :               0.00004206162453
                3d
                   -2 :              -0.00013658116960
                   -1 :              -0.00001139728604
                   +0 :               0.00043178333834
                   +1 :              -0.00034277219653
                   +2 :               0.00000386513102
                4d
                   -2 :               0.00011390862718
                   -1 :              -0.00024349588114
                   +0 :              -0.00002394693012
                   +1 :              -0.00033003357548
                   +2 :               0.00002554316852
                4p
                   -1 :              -0.00052940629735
                   +0 :               0.00032954843060
                   +1 :              -0.00008004995379
              8 vec=    12.757133     -1.376162      1.580534   |vec|=   12.928122
                3s
                   +0 :              -0.00020371610699
                3p
                   -1 :               0.00020098806863
                   +0 :              -0.00018699097619
                   +1 :              -0.00019575621590
                4s
                   +0 :               0.00036070073872
                5s
                   +0 :               0.00001207373851
                3d
                   -2 :               0.00004668640536
                   -1 :               0.00017170924141
                   +0 :              -0.00014282424280
                   +1 :              -0.00005134906137
                   +2 :              -0.00018697889855
                4d
                   -2 :              -0.00023101897649
                   -1 :              -0.00004420927978
                   +0 :              -0.00007537525684
                   +1 :               0.00027233407019
                   +2 :               0.00020009775013
                4p
                   -1 :              -0.00045133235492
                   +0 :               0.00044031793819
                   +1 :               0.00035559083312
              9 vec=     4.976970     12.099475      1.580534   |vec|=   13.178225
                3s
                   +0 :              -0.00033979027082
                3p
                   -1 :              -0.00024693276749
                   +0 :              -0.00005016897257
                   +1 :              -0.00001033426894
                4s
                   +0 :               0.00056758031979
                5s
                   +0 :              -0.00005465677785
                3d
                   -2 :               0.00008410714912
                   -1 :              -0.00001854481830
                   +0 :              -0.00010358745604
                   +1 :               0.00007525325378
                   +2 :              -0.00006448773890
                4d
                   -2 :              -0.00006397488589
                   -1 :               0.00017769111224
                   +0 :              -0.00007820300454
                   +1 :               0.00003029497533
                   +2 :              -0.00015895308030
                4p
                   -1 :               0.00045610634176
                   +0 :               0.00006085307625
                   +1 :              -0.00001805372124
             10 vec=    12.757133      7.607596      1.580534   |vec|=   14.937136
                3s
                   +0 :              -0.00007851627096
                3p
                   -1 :               0.00005135664419
                   +0 :              -0.00007924044455
                   +1 :               0.00003217536402
                4s
                   +0 :               0.00030145894477
                5s
                   +0 :              -0.00006077006070
                3d
                   -2 :              -0.00006199709256
                   -1 :               0.00005492765729
                   +0 :              -0.00004142733851
                   +1 :               0.00004677307181
                   +2 :              -0.00001310263384
                4d
                   -2 :              -0.00001905539470
                   -1 :              -0.00001752869674
                   +0 :              -0.00003783206510
                   +1 :              -0.00000018096041
                   +2 :               0.00001150313514
                4p
                   -1 :              -0.00004116338457
                   +0 :               0.00013946047022
                   +1 :               0.00001025108958
             11 vec=     4.976970    -14.851799      1.580534   |vec|=   15.743070
                3s
                   +0 :              -0.00003363614268
                3p
                   -1 :              -0.00000148014429
                   +0 :               0.00002721007793
                   +1 :              -0.00002166263350
                4s
                   +0 :               0.00008591984886
                5s
                   +0 :              -0.00001489782099
                3d
                   -2 :              -0.00000950353247
                   -1 :              -0.00017758847419
                   +0 :              -0.00009338672589
                   +1 :               0.00001528270265
                   +2 :               0.00011285247693
                4d
                   -2 :              -0.00004973397449
                   -1 :              -0.00000981078217
                   +0 :               0.00001780590572
                   +1 :               0.00003211041707
                   +2 :              -0.00004242867092
                4p
                   -1 :              -0.00003001576414
                   +0 :               0.00004232632003
                   +1 :               0.00006561086270
             12 vec=   -10.583355     12.099475      1.580534   |vec|=   16.152486
                3s
                   +0 :              -0.00000009003677
                3p
                   -1 :              -0.00002100219841
                   +0 :              -0.00002050075734
                   +1 :              -0.00000524099421
                4s
                   +0 :              -0.00009676150403
                5s
                   +0 :               0.00000163169634
                3d
                   -2 :               0.00006858145834
                   -1 :               0.00006362254298
                   +0 :              -0.00003516843961
                   +1 :              -0.00010454301919
                   +2 :              -0.00002872806149
                4d
                   -2 :               0.00001308601140
                   -1 :               0.00002600199142
                   +0 :              -0.00002284474635
                   +1 :              -0.00001144674060
                   +2 :              -0.00002926189835
                4p
                   -1 :               0.00002729165975
                   +0 :               0.00008585839412
                   +1 :               0.00003031827219
             13 vec=    12.757133    -10.359920      1.580534   |vec|=   16.509708
                3s
                   +0 :               0.00003962960679
                3p
                   -1 :              -0.00001484071451
                   +0 :               0.00000413401830
                   +1 :               0.00002394981054
                4s
                   +0 :               0.00000421553413
                5s
                   +0 :              -0.00004281613439
                3d
                   -2 :              -0.00007202198342
                   -1 :               0.00001282188918
                   +0 :              -0.00009353682841
                   +1 :               0.00004289947226
                   +2 :               0.00008529050713
                4d
                   -2 :              -0.00001914141165
                   -1 :              -0.00000065825887
                   +0 :               0.00003787089090
                   +1 :              -0.00002102230811
                   +2 :              -0.00001006351772
                4p
                   -1 :              -0.00000006586145
                   +0 :               0.00000150718486
                   +1 :               0.00000148315483
             14 vec=    -2.803193     16.591354      1.580534   |vec|=   16.900562
                3s
                   +0 :              -0.00000834536728
                3p
                   -1 :              -0.00003850428863
                   +0 :               0.00000830697760
                   +1 :               0.00002780128134
                4s
                   +0 :              -0.00002958331936
                5s
                   +0 :               0.00000839375882
                3d
                   -2 :               0.00007381147596
                   -1 :               0.00005609030722
                   +0 :              -0.00002316500078
                   +1 :               0.00000438120383
                   +2 :              -0.00004749979110
                4d
                   -2 :              -0.00004313795873
                   -1 :              -0.00000564458284
                   +0 :              -0.00002661431213
                   +1 :              -0.00001810294143
                   +2 :              -0.00004225342651
                4p
                   -1 :               0.00007629279652
                   +0 :              -0.00001748245392
                   +1 :              -0.00004887179455
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al(  4)  npairs=  14
              1 vec=    -2.803193     -1.376162     -5.671791   |vec|=    6.474637
                2s
                   +0 :               0.00421208010931
                2p
                   -1 :              -0.00094809223679
                   +0 :              -0.00256955094182
                   +1 :              -0.00222826954222
                3s
                   +0 :              -0.00968581140386
                4s
                   +0 :               0.00674566658024
                3p
                   -1 :               0.00422991303311
                   +0 :               0.00860625468391
                   +1 :               0.00764653132683
                4p
                   -1 :              -0.00198840825558
                   +0 :              -0.00451806538226
                   +1 :              -0.00356305117291
                3d
                   -2 :               0.00082128698558
                   -1 :              -0.00066609228971
                   +0 :              -0.00089136117345
                   +1 :              -0.00088523354377
                   +2 :               0.00096298214398
              2 vec=     4.976970      3.115717     -5.671791   |vec|=    8.163770
                2s
                   +0 :              -0.00107079175893
                2p
                   -1 :              -0.00084019413673
                   +0 :               0.00056150425186
                   +1 :              -0.00102225286493
                3s
                   +0 :              -0.01393302849330
                4s
                   +0 :              -0.00134126713284
                3p
                   -1 :               0.00000691221770
                   +0 :               0.00046870954616
                   +1 :              -0.01026965143825
                4p
                   -1 :              -0.00179752075298
                   +0 :               0.00038711737745
                   +1 :              -0.00086076696623
                3d
                   -2 :              -0.00243968120686
                   -1 :              -0.00024281333499
                   +0 :               0.00259786162806
                   +1 :               0.00064912884099
                   +2 :              -0.00343881276402
              3 vec=     4.976970     -5.868041     -5.671791   |vec|=    9.558941
                2s
                   +0 :              -0.00039715806598
                2p
                   -1 :               0.00008773245279
                   +0 :               0.00008206037020
                   +1 :               0.00106586739999
                3s
                   +0 :               0.00057169868596
                4s
                   +0 :              -0.00007467759723
                3p
                   -1 :              -0.00084910560109
                   +0 :              -0.00060845131336
                   +1 :              -0.00477510807808
                4p
                   -1 :               0.00011798792812
                   +0 :               0.00025363572146
                   +1 :               0.00107375231322
                3d
                   -2 :               0.00096597248610
                   -1 :              -0.00015493099601
                   +0 :              -0.00018780180235
                   +1 :               0.00088203970732
                   +2 :               0.00019698851683
              4 vec=    -2.803193      7.607596     -5.671791   |vec|=    9.894576
                2s
                   +0 :               0.00012791190102
                2p
                   -1 :              -0.00022994819098
                   +0 :              -0.00036037936962
                   +1 :               0.00011777676924
                3s
                   +0 :              -0.00028943380771
                4s
                   +0 :              -0.00001125091503
                3p
                   -1 :               0.00103900195323
                   +0 :               0.00223934183619
                   +1 :              -0.00062772283460
                4p
                   -1 :              -0.00053548811478
                   +0 :              -0.00058692906799
                   +1 :               0.00017344196710
                3d
                   -2 :              -0.00022060612553
                   -1 :               0.00038509636006
                   +0 :              -0.00021798375876
                   +1 :              -0.00018572255637
                   +2 :               0.00028427394153
              5 vec=    -2.803193    -10.359920     -5.671791   |vec|=   12.138989
                2s
                   +0 :              -0.00024531726358
                2p
                   -1 :               0.00016490860845
                   +0 :               0.00015754238991
                   +1 :              -0.00007818732796
                3s
                   +0 :               0.00012572424729
                4s
                   +0 :              -0.00037932954414
                3p
                   -1 :              -0.00028676784524
                   +0 :               0.00013786295820
                   +1 :              -0.00018669863065
                4p
                   -1 :               0.00026826329168
                   +0 :               0.00018144074384
                   +1 :              -0.00007019395578
                3d
                   -2 :               0.00026426646996
                   -1 :              -0.00018633033964
                   +0 :              -0.00020184309145
                   +1 :               0.00013913174085
                   +2 :               0.00007619626092
              6 vec=   -10.583355      3.115717     -5.671791   |vec|=   12.405012
                2s
                   +0 :              -0.00043225538775
                2p
                   -1 :              -0.00017204089013
                   +0 :               0.00015634070875
                   +1 :               0.00019880079942
                3s
                   +0 :               0.00150122950077
                4s
                   +0 :              -0.00026519141921
                3p
                   -1 :               0.00057227525578
                   +0 :              -0.00042298842443
                   +1 :              -0.00116872055514
                4p
                   -1 :              -0.00019783354932
                   +0 :               0.00016947202244
                   +1 :               0.00007010096860
                3d
                   -2 :              -0.00025403194590
                   -1 :              -0.00000540234576
                   +0 :              -0.00016455060527
                   +1 :               0.00025323412728
                   +2 :               0.00032321749014
              7 vec=   -10.583355     -5.868041     -5.671791   |vec|=   13.364525
                2s
                   +0 :               0.00024041025057
                2p
                   -1 :              -0.00015034432765
                   +0 :              -0.00001601957696
                   +1 :              -0.00005255260915
                3s
                   +0 :              -0.00086550449478
                4s
                   +0 :               0.00022090091979
                3p
                   -1 :               0.00077820539373
                   +0 :              -0.00008947558203
                   +1 :               0.00037559572652
                4p
                   -1 :              -0.00016890314501
                   +0 :               0.00011192515037
                   +1 :              -0.00007025195707
                3d
                   -2 :              -0.00014248215645
                   -1 :              -0.00010490239591
                   +0 :              -0.00008831011473
                   +1 :               0.00004093782083
                   +2 :               0.00018499321130
              8 vec=    12.757133     -1.376162     -5.671791   |vec|=   14.028809
                2s
                   +0 :              -0.00039084744233
                2p
                   -1 :              -0.00016780807970
                   +0 :               0.00005673834412
                   +1 :              -0.00024540610061
                3s
                   +0 :               0.00076443103864
                4s
                   +0 :              -0.00016078740385
                3p
                   -1 :               0.00082225875751
                   +0 :              -0.00023487139485
                   +1 :               0.00079665736094
                4p
                   -1 :              -0.00017788522147
                   +0 :               0.00003949926468
                   +1 :              -0.00005169087667
                3d
                   -2 :               0.00022618369314
                   -1 :              -0.00006570882577
                   +0 :              -0.00010749732509
                   +1 :              -0.00015934504119
                   +2 :               0.00015066158852
              9 vec=     4.976970     12.099475     -5.671791   |vec|=   14.259619
                2s
                   +0 :               0.00003091803462
                2p
                   -1 :               0.00007781483528
                   +0 :               0.00002170177307
                   +1 :              -0.00001474655618
                3s
                   +0 :              -0.00021201235048
                4s
                   +0 :              -0.00004515118134
                3p
                   -1 :              -0.00040857100371
                   +0 :              -0.00028217100804
                   +1 :               0.00022089996511
                4p
                   -1 :               0.00002135465027
                   +0 :               0.00007798336740
                   +1 :              -0.00004516265193
                3d
                   -2 :              -0.00010187733565
                   -1 :               0.00001981466978
                   +0 :              -0.00002633541315
                   +1 :              -0.00003430377246
                   +2 :               0.00013203592395
             10 vec=    12.757133      7.607596     -5.671791   |vec|=   15.899345
                2s
                   +0 :              -0.00007835022583
                2p
                   -1 :              -0.00002429853650
                   +0 :              -0.00002131867847
                   +1 :              -0.00001448092868
                3s
                   +0 :               0.00001496857219
                4s
                   +0 :              -0.00003582979298
                3p
                   -1 :               0.00000945231512
                   +0 :               0.00016336783765
                   +1 :              -0.00001468074294
                4p
                   -1 :              -0.00001497015836
                   +0 :              -0.00006930134328
                   +1 :               0.00000331621693
                3d
                   -2 :              -0.00002133634134
                   -1 :               0.00002908197987
                   +0 :               0.00000779652471
                   +1 :               0.00000786720507
                   +2 :               0.00001615927463
             11 vec=     4.976970    -14.851799     -5.671791   |vec|=   16.658793
                2s
                   +0 :               0.00002996628660
                2p
                   -1 :               0.00001246199543
                   +0 :               0.00000051492500
                   +1 :              -0.00003132747874
                3s
                   +0 :              -0.00019223923329
                4s
                   +0 :               0.00002139083266
                3p
                   -1 :               0.00004015654179
                   +0 :               0.00010219555763
                   +1 :               0.00023586869598
                4p
                   -1 :               0.00001541686257
                   +0 :              -0.00002535505968
                   +1 :              -0.00006647203880
                3d
                   -2 :              -0.00003950497463
                   -1 :              -0.00003949461352
                   +0 :              -0.00001328564780
                   +1 :              -0.00004874111029
                   +2 :              -0.00000431126581
             12 vec=   -10.583355     12.099475     -5.671791   |vec|=   17.046229
                2s
                   +0 :              -0.00006819394715
                2p
                   -1 :              -0.00003182843136
                   +0 :               0.00000199733691
                   +1 :               0.00004697138997
                3s
                   +0 :               0.00016890597288
                4s
                   +0 :              -0.00007929329220
                3p
                   -1 :               0.00014574578799
                   +0 :               0.00011206256501
                   +1 :              -0.00012978011271
                4p
                   -1 :              -0.00003950975113
                   +0 :              -0.00002251845624
                   +1 :               0.00004797010074
                3d
                   -2 :              -0.00003996745645
                   -1 :               0.00000766010751
                   +0 :              -0.00003829686478
                   +1 :              -0.00001979067772
                   +2 :              -0.00001186290697
             13 vec=    12.757133    -10.359920     -5.671791   |vec|=   17.385097
                2s
                   +0 :              -0.00000181559882
                2p
                   -1 :              -0.00001591768116
                   +0 :               0.00000096600416
                   +1 :               0.00001223000132
                3s
                   +0 :              -0.00012268740361
                4s
                   +0 :               0.00007084539783
                3p
                   -1 :               0.00010827813043
                   +0 :               0.00005863117173
                   +1 :              -0.00012490360302
                4p
                   -1 :              -0.00004063912431
                   +0 :              -0.00003860192840
                   +1 :               0.00006332684299
                3d
                   -2 :               0.00001590354996
                   -1 :              -0.00002668825582
                   +0 :              -0.00002887992120
                   +1 :              -0.00000804664233
                   +2 :              -0.00003214299379
             14 vec=    -2.803193     16.591354     -5.671791   |vec|=   17.756693
                2s
                   +0 :              -0.00001498388757
                2p
                   -1 :              -0.00002071078417
                   +0 :              -0.00000003697604
                   +1 :              -0.00001196737808
                3s
                   +0 :               0.00003832203518
                4s
                   +0 :              -0.00002608082974
                3p
                   -1 :               0.00008942185840
                   +0 :              -0.00002094913128
                   +1 :               0.00008449296115
                4p
                   -1 :              -0.00002475301109
                   +0 :               0.00001182955727
                   +1 :              -0.00002556664254
                3d
                   -2 :               0.00000705546105
                   -1 :              -0.00001436128400
                   +0 :              -0.00000307508893
                   +1 :              -0.00001277010890
                   +2 :              -0.00000643850596
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al(  5)  npairs=  13
              1 vec=     2.383582     -1.376162     -9.763130   |vec|=   10.143668
                2s
                   +0 :              -0.00040741473009
                2p
                   -1 :               0.00009238212117
                   +0 :              -0.00025221950230
                   +1 :              -0.00031136308898
                3s
                   +0 :              -0.00041334341698
                4s
                   +0 :               0.00016740492054
                3p
                   -1 :              -0.00022362060705
                   +0 :               0.00210743100385
                   +1 :               0.00144913712874
                4p
                   -1 :              -0.00003160310935
                   +0 :              -0.00072855369820
                   +1 :              -0.00017137363049
                3d
                   -2 :              -0.00005802504422
                   -1 :              -0.00024560822282
                   +0 :              -0.00013503918936
                   +1 :               0.00065155891161
                   +2 :              -0.00025644950270
              2 vec=    -5.396580      3.115717     -9.763130   |vec|=   11.582292
                2s
                   +0 :               0.00075357708808
                2p
                   -1 :               0.00008377502806
                   +0 :              -0.00016564618387
                   +1 :              -0.00007340211106
                3s
                   +0 :              -0.00249320629511
                4s
                   +0 :               0.00108892254785
                3p
                   -1 :              -0.00046487791823
                   +0 :               0.00133525815497
                   +1 :               0.00042220394454
                4p
                   -1 :               0.00020159294596
                   +0 :              -0.00047632209440
                   +1 :              -0.00009815033199
                3d
                   -2 :              -0.00020694329562
                   -1 :               0.00004163288870
                   +0 :              -0.00028467374119
                   +1 :              -0.00006501583002
                   +2 :               0.00011999626151
              3 vec=    -5.396580     -5.868041     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00003907856043
                2p
                   -1 :               0.00018445849294
                   +0 :               0.00004387361875
                   +1 :               0.00002600388559
                3s
                   +0 :              -0.00151204921325
                4s
                   +0 :              -0.00012783144016
                3p
                   -1 :               0.00019095311556
                   +0 :               0.00028703581997
                   +1 :               0.00119836393751
                4p
                   -1 :               0.00030918246328
                   +0 :               0.00006940316593
                   +1 :               0.00003313811529
                3d
                   -2 :              -0.00038566068993
                   -1 :              -0.00018265367523
                   +0 :               0.00023565998988
                   +1 :              -0.00006176116314
                   +2 :              -0.00010061437118
              4 vec=     2.383582      7.607596     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00036494096562
                2p
                   -1 :              -0.00043512598320
                   +0 :               0.00015276353943
                   +1 :              -0.00001802325557
                3s
                   +0 :              -0.00265870689334
                4s
                   +0 :              -0.00011771310748
                3p
                   -1 :              -0.00169736362074
                   +0 :               0.00042572392868
                   +1 :               0.00059546454943
                4p
                   -1 :              -0.00026142703879
                   +0 :              -0.00010174080134
                   +1 :              -0.00009856776425
                3d
                   -2 :               0.00020835184317
                   -1 :               0.00016028753818
                   +0 :               0.00045481100095
                   +1 :              -0.00005077606742
                   +2 :               0.00074747261027
              5 vec=     2.383582    -10.359920     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00010450548850
                2p
                   -1 :              -0.00014322236022
                   +0 :              -0.00002144760330
                   +1 :              -0.00003662353067
                3s
                   +0 :              -0.00041703308733
                4s
                   +0 :               0.00019669987706
                3p
                   -1 :               0.00073254423686
                   +0 :               0.00008379759464
                   +1 :               0.00021086427061
                4p
                   -1 :              -0.00023492325581
                   +0 :              -0.00000752902250
                   +1 :               0.00000847588847
                3d
                   -2 :              -0.00008594705123
                   -1 :              -0.00009692064022
                   +0 :               0.00002426667820
                   +1 :              -0.00006247373166
                   +2 :               0.00004343650656
              6 vec=    10.163745      3.115717     -9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00000100137073
                2p
                   -1 :               0.00015668638576
                   +0 :              -0.00002695790692
                   +1 :              -0.00012556338046
                3s
                   +0 :              -0.00008206782754
                4s
                   +0 :              -0.00004546229521
                3p
                   -1 :              -0.00068132710625
                   +0 :               0.00014187090447
                   +1 :               0.00060761982501
                4p
                   -1 :               0.00010494319537
                   +0 :              -0.00003904383969
                   +1 :              -0.00015498843026
                3d
                   -2 :              -0.00008436427478
                   -1 :               0.00012420559142
                   +0 :               0.00001319447352
                   +1 :              -0.00005167735953
                   +2 :               0.00016461227025
              7 vec=     2.383582     -1.376162     14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00000556082969
                2p
                   -1 :               0.00007099461516
                   +0 :               0.00000581337637
                   +1 :               0.00007686040030
                3s
                   +0 :               0.00019194515370
                4s
                   +0 :              -0.00009051975088
                3p
                   -1 :              -0.00033819233365
                   +0 :               0.00009309304898
                   +1 :              -0.00064387928928
                4p
                   -1 :               0.00010927333216
                   +0 :              -0.00006474913877
                   +1 :               0.00010582842452
                3d
                   -2 :               0.00001531820028
                   -1 :              -0.00000185631538
                   +0 :               0.00002758277930
                   +1 :              -0.00012430453809
                   +2 :               0.00002545371741
              8 vec=    10.163745     -5.868041     -9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00016129847576
                2p
                   -1 :               0.00005067102575
                   +0 :               0.00016724868580
                   +1 :              -0.00010864134642
                3s
                   +0 :               0.00038114457592
                4s
                   +0 :              -0.00019092191303
                3p
                   -1 :              -0.00014260263271
                   +0 :              -0.00070790229169
                   +1 :               0.00052060093649
                4p
                   -1 :               0.00000037085103
                   +0 :               0.00021831967120
                   +1 :              -0.00018245790267
                3d
                   -2 :              -0.00008713829251
                   -1 :               0.00014251337768
                   +0 :               0.00004124953986
                   +1 :              -0.00020569017127
                   +2 :               0.00002388380294
              9 vec=    -5.396580      3.115717     14.784412   |vec|=   16.043990
                2s
                   +0 :              -0.00003450567693
                2p
                   -1 :               0.00003573365502
                   +0 :              -0.00000146057116
                   +1 :               0.00003066101058
                3s
                   +0 :               0.00018207266439
                4s
                   +0 :               0.00002435172010
                3p
                   -1 :              -0.00028297183865
                   +0 :              -0.00001414498377
                   +1 :              -0.00004764376903
                4p
                   -1 :               0.00004798793341
                   +0 :               0.00005657203138
                   +1 :              -0.00002412418783
                3d
                   -2 :              -0.00007379452871
                   -1 :              -0.00002280363911
                   +0 :               0.00002157924095
                   +1 :              -0.00000127654221
                   +2 :              -0.00006558405157
             10 vec=   -13.176743     -1.376162     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00004172732333
                2p
                   -1 :               0.00000424455735
                   +0 :               0.00000381487143
                   +1 :              -0.00005758352546
                3s
                   +0 :               0.00002111831242
                4s
                   +0 :               0.00009225339565
                3p
                   -1 :              -0.00012474754831
                   +0 :              -0.00011010099596
                   +1 :               0.00024310187557
                4p
                   -1 :               0.00003276988206
                   +0 :               0.00002578484213
                   +1 :              -0.00010605043078
                3d
                   -2 :               0.00000596704446
                   -1 :               0.00004632236277
                   +0 :               0.00002782880293
                   +1 :               0.00003433344774
                   +2 :               0.00000889543274
             11 vec=    -5.396580     12.099475     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00006996028617
                2p
                   -1 :               0.00002797480569
                   +0 :              -0.00000194561080
                   +1 :              -0.00002938916060
                3s
                   +0 :              -0.00020900551475
                4s
                   +0 :               0.00006693811886
                3p
                   -1 :              -0.00005833059884
                   +0 :              -0.00001489100407
                   +1 :               0.00012059383043
                4p
                   -1 :               0.00002288069086
                   +0 :               0.00001644077409
                   +1 :              -0.00004610882121
                3d
                   -2 :              -0.00001472609780
                   -1 :               0.00002893061187
                   +0 :              -0.00000733532514
                   +1 :               0.00001349855717
                   +2 :               0.00001934172218
             12 vec=    -5.396580     -5.868041     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00003086593143
                2p
                   -1 :               0.00002467361880
                   +0 :               0.00000855828246
                   +1 :               0.00002144236267
                3s
                   +0 :              -0.00019183971957
                4s
                   +0 :               0.00005237229905
                3p
                   -1 :              -0.00031134792000
                   +0 :              -0.00010926246287
                   +1 :              -0.00004750915435
                4p
                   -1 :               0.00003997556461
                   +0 :               0.00000203532964
                   +1 :              -0.00001665551526
                3d
                   -2 :              -0.00006914894135
                   -1 :              -0.00004597196731
                   +0 :              -0.00003511603728
                   +1 :               0.00001767723171
                   +2 :              -0.00002839877195
             13 vec=     2.383582      7.607596     14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00014719704182
                2p
                   -1 :              -0.00002370503614
                   +0 :              -0.00002795947029
                   +1 :               0.00001541097674
                3s
                   +0 :               0.00090104519530
                4s
                   +0 :              -0.00018029981614
                3p
                   -1 :               0.00025494292519
                   +0 :               0.00024511816269
                   +1 :               0.00020523059133
                4p
                   -1 :              -0.00004719735972
                   +0 :              -0.00003549704603
                   +1 :               0.00000081983060
                3d
                   -2 :               0.00012517788066
                   -1 :               0.00002857193577
                   +0 :              -0.00005581626547
                   +1 :               0.00005590077401
                   +2 :               0.00004544258796
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al(  6)  npairs=  14
              1 vec=     2.383582     -1.376162     -2.510804   |vec|=    3.725510
                2s
                   +0 :              -0.01953102573698
                2p
                   -1 :               0.01089436007806
                   +0 :               0.01891072386203
                   +1 :              -0.02361268088756
                3s
                   +0 :              -0.09122891906231
                4s
                   +0 :              -0.00522368839969
                3p
                   -1 :               0.03780856412327
                   +0 :               0.03206832067070
                   +1 :              -0.04778207522090
                4p
                   -1 :               0.00405847465499
                   +0 :               0.00966151614733
                   +1 :              -0.01294488776902
                3d
                   -2 :               0.03433780562181
                   -1 :              -0.02061340938186
                   +0 :               0.00968738391309
                   +1 :               0.03379947676402
                   +2 :              -0.02025126074911
              2 vec=    -5.396580      3.115717     -2.510804   |vec|=    6.718252
                2s
                   +0 :               0.00231830174480
                2p
                   -1 :               0.00035794267309
                   +0 :              -0.00045375116223
                   +1 :              -0.00151426585140
                3s
                   +0 :              -0.01213330641257
                4s
                   +0 :               0.00470249471671
                3p
                   -1 :              -0.00312621023804
                   +0 :               0.00149589686792
                   +1 :               0.00614504584244
                4p
                   -1 :               0.00036970648017
                   +0 :              -0.00136298281362
                   +1 :              -0.00250686573045
                3d
                   -2 :               0.00102611558447
                   -1 :               0.00092584504266
                   +0 :              -0.00343066690182
                   +1 :              -0.00006744622863
                   +2 :               0.00047000722362
              3 vec=    -5.396580     -5.868041     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00219287086744
                2p
                   -1 :               0.00001740656649
                   +0 :               0.00061732046563
                   +1 :               0.00046764782582
                3s
                   +0 :               0.01144387731176
                4s
                   +0 :              -0.00291732903969
                3p
                   -1 :              -0.00188862399160
                   +0 :              -0.00577424690116
                   +1 :              -0.00317992392794
                4p
                   -1 :               0.00053438866963
                   +0 :               0.00076395692363
                   +1 :               0.00042972855923
                3d
                   -2 :              -0.00028964190952
                   -1 :               0.00001298907534
                   +0 :               0.00149401639396
                   +1 :               0.00111685464195
                   +2 :               0.00120591613760
              4 vec=     2.383582      7.607596     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00095519002962
                2p
                   -1 :              -0.00051158356354
                   +0 :               0.00048900382564
                   +1 :              -0.00011061522552
                3s
                   +0 :               0.00682784011209
                4s
                   +0 :              -0.00298417456603
                3p
                   -1 :               0.00544161787012
                   +0 :              -0.00469758153253
                   +1 :               0.00128436735011
                4p
                   -1 :              -0.00167384321608
                   +0 :               0.00135104842708
                   +1 :              -0.00086461693076
                3d
                   -2 :               0.00041601333960
                   -1 :              -0.00143239835102
                   +0 :               0.00011994209752
                   +1 :              -0.00046226838210
                   +2 :              -0.00093168068381
              5 vec=     2.383582    -10.359920     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00057356710014
                2p
                   -1 :               0.00032638757023
                   +0 :              -0.00021240137516
                   +1 :              -0.00012835885299
                3s
                   +0 :               0.00068058488269
                4s
                   +0 :              -0.00025548553653
                3p
                   -1 :              -0.00053338052097
                   +0 :               0.00075186726534
                   +1 :               0.00076802664684
                4p
                   -1 :               0.00022077514610
                   +0 :              -0.00022857246944
                   +1 :              -0.00005725899088
                3d
                   -2 :              -0.00036578378430
                   -1 :              -0.00004168985511
                   +0 :               0.00022733340146
                   +1 :               0.00027948828434
                   +2 :               0.00003267688782
              6 vec=    10.163745      3.115717     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00001478602082
                2p
                   -1 :              -0.00015923621446
                   +0 :               0.00008540082274
                   +1 :               0.00005988089066
                3s
                   +0 :              -0.00080671074509
                4s
                   +0 :               0.00020307370104
                3p
                   -1 :              -0.00005791190544
                   +0 :              -0.00032351806342
                   +1 :              -0.00077775280698
                4p
                   -1 :               0.00008299087878
                   +0 :               0.00011876177733
                   +1 :               0.00018945373632
                3d
                   -2 :              -0.00006344635181
                   -1 :              -0.00021895755547
                   +0 :               0.00022929579019
                   +1 :               0.00005397501620
                   +2 :               0.00024104300628
              7 vec=    10.163745     -5.868041     -2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00026961051771
                2p
                   -1 :              -0.00009259202849
                   +0 :              -0.00013575763540
                   +1 :              -0.00007980946877
                3s
                   +0 :              -0.00118923672621
                4s
                   +0 :              -0.00009025319538
                3p
                   -1 :               0.00040553000974
                   +0 :               0.00096292921331
                   +1 :               0.00048530227947
                4p
                   -1 :               0.00012050295767
                   +0 :              -0.00023856890150
                   +1 :              -0.00038641842328
                3d
                   -2 :               0.00018550423447
                   -1 :              -0.00013350553575
                   +0 :              -0.00016616525969
                   +1 :               0.00020315241003
                   +2 :               0.00030431760304
              8 vec=   -13.176743     -1.376162     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00052769142220
                2p
                   -1 :               0.00007841063790
                   +0 :               0.00007239305863
                   +1 :               0.00013985488397
                3s
                   +0 :               0.00223639212163
                4s
                   +0 :              -0.00030530667760
                3p
                   -1 :              -0.00059737238632
                   +0 :              -0.00071638512107
                   +1 :              -0.00051074645710
                4p
                   -1 :               0.00010102905078
                   +0 :               0.00009654681083
                   +1 :              -0.00008595254791
                3d
                   -2 :               0.00007858248667
                   -1 :               0.00032415260768
                   +0 :               0.00025500030965
                   +1 :               0.00013861813842
                   +2 :              -0.00009222307206
              9 vec=    -5.396580     12.099475     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00008696965787
                2p
                   -1 :               0.00005264589595
                   +0 :               0.00005438330835
                   +1 :               0.00004919821050
                3s
                   +0 :               0.00059831451696
                4s
                   +0 :              -0.00024271659854
                3p
                   -1 :              -0.00008989244236
                   +0 :              -0.00035712950836
                   +1 :              -0.00024098394486
                4p
                   -1 :              -0.00004575650793
                   +0 :               0.00007295348898
                   +1 :               0.00005540865070
                3d
                   -2 :               0.00012226292919
                   -1 :              -0.00014414206882
                   +0 :               0.00006387549235
                   +1 :               0.00001273606142
                   +2 :               0.00002991096121
             10 vec=   -13.176743      7.607596     -2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00000419130296
                2p
                   -1 :               0.00002456665395
                   +0 :               0.00001518704950
                   +1 :              -0.00001349003055
                3s
                   +0 :               0.00018141905155
                4s
                   +0 :              -0.00000058563840
                3p
                   -1 :              -0.00011844660498
                   +0 :              -0.00006588776000
                   +1 :              -0.00003844876209
                4p
                   -1 :               0.00000923832708
                   +0 :               0.00000452016874
                   +1 :              -0.00002768318243
                3d
                   -2 :               0.00000528188620
                   -1 :               0.00000369541084
                   +0 :               0.00002284720907
                   +1 :               0.00005442287073
                   +2 :              -0.00000036607615
             11 vec=    -5.396580    -14.851799     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00003370066616
                2p
                   -1 :               0.00000821832110
                   +0 :               0.00002283623811
                   +1 :               0.00002174113535
                3s
                   +0 :              -0.00032047851448
                4s
                   +0 :               0.00003626503967
                3p
                   -1 :               0.00008915060991
                   +0 :              -0.00017135067210
                   +1 :              -0.00012850759368
                4p
                   -1 :              -0.00000331216956
                   +0 :               0.00002718938301
                   +1 :               0.00003960622758
                3d
                   -2 :               0.00008207667178
                   -1 :               0.00011791087815
                   +0 :              -0.00004609630353
                   +1 :              -0.00010071456668
                   +2 :              -0.00003567150285
             12 vec=    10.163745     12.099475     -2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00002365900445
                2p
                   -1 :               0.00000063486001
                   +0 :              -0.00001383189822
                   +1 :              -0.00004609814413
                3s
                   +0 :              -0.00027734931349
                4s
                   +0 :               0.00003802936777
                3p
                   -1 :              -0.00010180193000
                   +0 :              -0.00011732603004
                   +1 :               0.00003896440288
                4p
                   -1 :               0.00003809689794
                   +0 :              -0.00000363353896
                   +1 :              -0.00003222193774
                3d
                   -2 :               0.00001035896302
                   -1 :              -0.00003232973082
                   +0 :              -0.00004474359283
                   +1 :              -0.00004910744118
                   +2 :              -0.00002154984424
             13 vec=   -13.176743    -10.359920     -2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00003157738041
                2p
                   -1 :               0.00001047348870
                   +0 :              -0.00000445199285
                   +1 :               0.00000069500169
                3s
                   +0 :               0.00010278053472
                4s
                   +0 :              -0.00003741938600
                3p
                   -1 :              -0.00009499707929
                   +0 :               0.00000283217665
                   +1 :               0.00006699607781
                4p
                   -1 :              -0.00000099749643
                   +0 :               0.00001425757345
                   +1 :              -0.00000386260076
                3d
                   -2 :               0.00002288897831
                   -1 :               0.00001333927072
                   +0 :              -0.00000536033938
                   +1 :              -0.00000820752380
                   +2 :              -0.00005281920521
             14 vec=     2.383582     16.591354     -2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00001495419855
                2p
                   -1 :              -0.00001404682074
                   +0 :              -0.00000933897118
                   +1 :               0.00001576389385
                3s
                   +0 :              -0.00008292483987
                4s
                   +0 :               0.00001372600552
                3p
                   -1 :               0.00005425897555
                   +0 :               0.00002659642007
                   +1 :              -0.00006938235375
                4p
                   -1 :              -0.00001179109330
                   +0 :              -0.00000956496913
                   +1 :               0.00002745967117
                3d
                   -2 :              -0.00002697996097
                   -1 :               0.00002944527631
                   +0 :              -0.00000285694742
                   +1 :               0.00000773693654
                   +2 :              -0.00000669557415
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al(  7)  npairs=  13
              1 vec=     2.383582     -1.376162      9.762967   |vec|=   10.143511
                2s
                   +0 :               0.00032833540662
                2p
                   -1 :              -0.00024076172949
                   +0 :              -0.00026130433929
                   +1 :               0.00023038907001
                3s
                   +0 :               0.00098625017292
                4s
                   +0 :              -0.00026931601543
                3p
                   -1 :               0.00130181579920
                   +0 :               0.00244080600633
                   +1 :              -0.00055567917567
                4p
                   -1 :              -0.00019498865172
                   +0 :              -0.00078024029539
                   +1 :              -0.00006349129389
                3d
                   -2 :              -0.00000750430797
                   -1 :              -0.00045424595671
                   +0 :               0.00028928000785
                   +1 :               0.00051791997285
                   +2 :              -0.00015310381350
              2 vec=    -5.396580      3.115717      9.762967   |vec|=   11.582154
                2s
                   +0 :              -0.00061657024631
                2p
                   -1 :               0.00001387784697
                   +0 :              -0.00014374788115
                   +1 :               0.00006336625182
                3s
                   +0 :               0.00091181045668
                4s
                   +0 :              -0.00101381641032
                3p
                   -1 :              -0.00153647839807
                   +0 :               0.00089344108561
                   +1 :              -0.00083012425215
                4p
                   -1 :               0.00008706447141
                   +0 :              -0.00036668448003
                   +1 :               0.00019302925394
                3d
                   -2 :               0.00011058267435
                   -1 :              -0.00008236911676
                   +0 :               0.00034801592845
                   +1 :               0.00000215936503
                   +2 :               0.00006277622469
              3 vec=    -5.396580     -5.868041      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00063985481739
                2p
                   -1 :              -0.00029276033628
                   +0 :               0.00022191136364
                   +1 :              -0.00017688503749
                3s
                   +0 :              -0.00025763041561
                4s
                   +0 :               0.00061752480346
                3p
                   -1 :               0.00063829683616
                   +0 :              -0.00068793716778
                   +1 :              -0.00180626886628
                4p
                   -1 :              -0.00033610191925
                   +0 :               0.00017404760899
                   +1 :               0.00006458293312
                3d
                   -2 :               0.00026553593032
                   -1 :               0.00016397484557
                   +0 :              -0.00043095850515
                   +1 :              -0.00013421300668
                   +2 :               0.00039148776846
              4 vec=     2.383582      7.607596      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00001080397155
                2p
                   -1 :               0.00015025171679
                   +0 :               0.00004769757713
                   +1 :               0.00017838044330
                3s
                   +0 :               0.00202897479383
                4s
                   +0 :               0.00000901951555
                3p
                   -1 :               0.00110072544458
                   +0 :               0.00038177088017
                   +1 :              -0.00059398123253
                4p
                   -1 :               0.00016942254495
                   +0 :               0.00000148962173
                   +1 :               0.00032961634277
                3d
                   -2 :               0.00000900528163
                   -1 :               0.00014054147295
                   +0 :              -0.00025820841335
                   +1 :               0.00006480492748
                   +2 :              -0.00035007889439
              5 vec=     2.383582    -10.359920      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00005233663979
                2p
                   -1 :              -0.00003514947883
                   +0 :              -0.00001345654360
                   +1 :               0.00013077660544
                3s
                   +0 :               0.00027779034192
                4s
                   +0 :               0.00009106636584
                3p
                   -1 :               0.00009386714644
                   +0 :               0.00000106936993
                   +1 :              -0.00074543321312
                4p
                   -1 :              -0.00014565515931
                   +0 :              -0.00000859288015
                   +1 :               0.00013359506266
                3d
                   -2 :               0.00012177892620
                   -1 :              -0.00001984314847
                   +0 :              -0.00007288227884
                   +1 :              -0.00014685112700
                   +2 :              -0.00001033317062
              6 vec=    10.163745      3.115717      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00009588537359
                2p
                   -1 :              -0.00007568468730
                   +0 :              -0.00001333118692
                   +1 :              -0.00010220341692
                3s
                   +0 :               0.00051640571580
                4s
                   +0 :              -0.00017489177084
                3p
                   -1 :               0.00026349934213
                   +0 :               0.00009371928674
                   +1 :               0.00057348120122
                4p
                   -1 :              -0.00008111305037
                   +0 :              -0.00002211848110
                   +1 :              -0.00018452095700
                3d
                   -2 :               0.00002602824979
                   -1 :               0.00006602226011
                   +0 :              -0.00003468859152
                   +1 :               0.00004482571129
                   +2 :              -0.00004015427525
              7 vec=     2.383582     -1.376162    -14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00001566464264
                2p
                   -1 :               0.00012838860540
                   +0 :               0.00001534485107
                   +1 :               0.00001369469149
                3s
                   +0 :              -0.00043702777015
                4s
                   +0 :               0.00010873710142
                3p
                   -1 :              -0.00069093514612
                   +0 :               0.00022718492571
                   +1 :               0.00001217827649
                4p
                   -1 :               0.00016380036878
                   +0 :              -0.00008278782930
                   +1 :               0.00004122515958
                3d
                   -2 :               0.00003200470532
                   -1 :               0.00009311866739
                   +0 :              -0.00005658592649
                   +1 :              -0.00004652175422
                   +2 :               0.00004470978388
              8 vec=    10.163745     -5.868041      9.762967   |vec|=   15.266013
                2s
                   +0 :               0.00016893831664
                2p
                   -1 :              -0.00008717356116
                   +0 :               0.00017139829649
                   +1 :               0.00009382719981
                3s
                   +0 :              -0.00034551530044
                4s
                   +0 :               0.00017677294320
                3p
                   -1 :               0.00052310191620
                   +0 :              -0.00072759076179
                   +1 :              -0.00033139297352
                4p
                   -1 :              -0.00018137667364
                   +0 :               0.00020837233903
                   +1 :               0.00008718110042
                3d
                   -2 :               0.00006943225895
                   -1 :               0.00015113172577
                   +0 :              -0.00004625040558
                   +1 :              -0.00021972049489
                   +2 :              -0.00003150534417
              9 vec=    -5.396580      3.115717    -14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00000013316256
                2p
                   -1 :               0.00002051696902
                   +0 :               0.00000300481704
                   +1 :               0.00001721196400
                3s
                   +0 :              -0.00005828582537
                4s
                   +0 :              -0.00003564136446
                3p
                   -1 :               0.00003111612629
                   +0 :              -0.00008881272390
                   +1 :              -0.00016229648060
                4p
                   -1 :              -0.00002491337385
                   +0 :               0.00005331984503
                   +1 :               0.00004019052551
                3d
                   -2 :              -0.00000774278780
                   -1 :              -0.00000601342560
                   +0 :              -0.00003362209570
                   +1 :               0.00003811938108
                   +2 :              -0.00002439210305
             10 vec=   -13.176743     -1.376162      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00005881689845
                2p
                   -1 :               0.00000704829064
                   +0 :              -0.00000412780550
                   +1 :               0.00007018532219
                3s
                   +0 :               0.00017767409260
                4s
                   +0 :              -0.00006810027890
                3p
                   -1 :              -0.00006110343086
                   +0 :               0.00001117655335
                   +1 :              -0.00030093103284
                4p
                   -1 :               0.00000767168020
                   +0 :               0.00001745657357
                   +1 :               0.00008313781949
                3d
                   -2 :               0.00006125435628
                   -1 :              -0.00006206488558
                   +0 :              -0.00000242085785
                   +1 :              -0.00006171658603
                   +2 :               0.00005384380092
             11 vec=    -5.396580     12.099475      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00007820635819
                2p
                   -1 :              -0.00005011570959
                   +0 :              -0.00000521067335
                   +1 :               0.00002628473775
                3s
                   +0 :               0.00045281722969
                4s
                   +0 :              -0.00012876689936
                3p
                   -1 :               0.00026920932891
                   +0 :               0.00005998861605
                   +1 :              -0.00016298964611
                4p
                   -1 :              -0.00007184647421
                   +0 :              -0.00001749873955
                   +1 :               0.00007016885488
                3d
                   -2 :               0.00002013296679
                   -1 :              -0.00001173780229
                   +0 :              -0.00000918513322
                   +1 :               0.00000389800460
                   +2 :              -0.00001526847284
             12 vec=    -5.396580     -5.868041    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00007524215490
                2p
                   -1 :               0.00002910976032
                   +0 :              -0.00001306003419
                   +1 :              -0.00003116108511
                3s
                   +0 :              -0.00041751158817
                4s
                   +0 :               0.00010950149666
                3p
                   -1 :               0.00011284506547
                   +0 :               0.00008166268306
                   +1 :               0.00013343370064
                4p
                   -1 :               0.00000314071111
                   +0 :              -0.00001905641665
                   +1 :              -0.00004289453107
                3d
                   -2 :              -0.00002127309480
                   -1 :              -0.00003052488342
                   +0 :               0.00006042748141
                   +1 :               0.00000153124075
                   +2 :               0.00010263820581
             13 vec=     2.383582      7.607596    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00006141973520
                2p
                   -1 :               0.00001000269282
                   +0 :               0.00000076631853
                   +1 :              -0.00001690301757
                3s
                   +0 :              -0.00054607852608
                4s
                   +0 :               0.00010090226760
                3p
                   -1 :              -0.00012074046759
                   +0 :               0.00003576761787
                   +1 :              -0.00001292808981
                4p
                   -1 :              -0.00000239487181
                   +0 :              -0.00002293790889
                   +1 :               0.00000210329655
                3d
                   -2 :               0.00001635505441
                   -1 :              -0.00003920198362
                   +0 :               0.00009647305627
                   +1 :               0.00001562151617
                   +2 :              -0.00011712002637
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al(  8)  npairs=  14
              1 vec=     2.383582     -1.376162      2.510641   |vec|=    3.725400
                2s
                   +0 :               0.02096543895176
                2p
                   -1 :              -0.01522290318324
                   +0 :               0.01915073627077
                   +1 :               0.02200189850122
                3s
                   +0 :               0.08677639275916
                4s
                   +0 :               0.00584044240935
                3p
                   -1 :              -0.02076228836512
                   +0 :               0.02889075195456
                   +1 :               0.04909109944828
                4p
                   -1 :              -0.00910740886786
                   +0 :               0.00982448112619
                   +1 :               0.01057424967065
                3d
                   -2 :              -0.03295762421138
                   -1 :              -0.02160547853192
                   +0 :              -0.00781454288961
                   +1 :               0.03314824031590
                   +2 :               0.01631609741293
              2 vec=    -5.396580      3.115717      2.510641   |vec|=    6.718191
                2s
                   +0 :              -0.00184734952551
                2p
                   -1 :              -0.00103043179853
                   +0 :              -0.00043508910714
                   +1 :               0.00101174236612
                3s
                   +0 :               0.00908109319837
                4s
                   +0 :              -0.00513632042839
                3p
                   -1 :               0.00569601491484
                   +0 :              -0.00003459023227
                   +1 :              -0.00452819788167
                4p
                   -1 :              -0.00204330188170
                   +0 :              -0.00133479988090
                   +1 :               0.00203082801583
                3d
                   -2 :              -0.00032030116314
                   -1 :               0.00090799740752
                   +0 :               0.00136603334806
                   +1 :              -0.00010427760663
                   +2 :               0.00100759934339
              3 vec=    -5.396580     -5.868041      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00044039660003
                2p
                   -1 :              -0.00068869573426
                   +0 :               0.00022855541137
                   +1 :              -0.00052754698982
                3s
                   +0 :              -0.00306698843715
                4s
                   +0 :               0.00233865444983
                3p
                   -1 :               0.00758466639225
                   +0 :              -0.00335150241147
                   +1 :               0.00491914054002
                4p
                   -1 :              -0.00163662515907
                   +0 :               0.00102073398950
                   +1 :              -0.00079527807201
                3d
                   -2 :              -0.00266431196355
                   -1 :               0.00353342281690
                   +0 :               0.00084631854215
                   +1 :              -0.00031326642921
                   +2 :               0.00248122798433
              4 vec=     2.383582      7.607596      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00123698208081
                2p
                   -1 :               0.00026634677799
                   +0 :               0.00028337703136
                   +1 :              -0.00019959830099
                3s
                   +0 :              -0.00504673853019
                4s
                   +0 :               0.00174386597321
                3p
                   -1 :              -0.00277167964944
                   +0 :              -0.00287640108625
                   +1 :               0.00055147959318
                4p
                   -1 :               0.00036882128494
                   +0 :               0.00058780326775
                   +1 :               0.00000265423707
                3d
                   -2 :               0.00046174901541
                   -1 :              -0.00045439195026
                   +0 :              -0.00054414009417
                   +1 :               0.00015939664922
                   +2 :               0.00077035585604
              5 vec=     2.383582    -10.359920      2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00011542459070
                2p
                   -1 :               0.00006464406960
                   +0 :              -0.00000534596546
                   +1 :              -0.00001127336673
                3s
                   +0 :               0.00121913109244
                4s
                   +0 :              -0.00012482777987
                3p
                   -1 :              -0.00095941248753
                   +0 :              -0.00005946111801
                   +1 :              -0.00036112647931
                4p
                   -1 :               0.00011412119566
                   +0 :              -0.00004333894218
                   +1 :              -0.00000430139787
                3d
                   -2 :               0.00026305408075
                   -1 :               0.00007789501472
                   +0 :              -0.00000035836117
                   +1 :               0.00019346332376
                   +2 :              -0.00019903473542
              6 vec=    10.163745      3.115717      2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00018268995929
                2p
                   -1 :               0.00010807320418
                   +0 :              -0.00031963055734
                   +1 :               0.00026463014242
                3s
                   +0 :               0.00059079063848
                4s
                   +0 :               0.00022685667535
                3p
                   -1 :               0.00032538581791
                   +0 :               0.00112580547916
                   +1 :              -0.00066426692725
                4p
                   -1 :               0.00010479798389
                   +0 :              -0.00026281679044
                   +1 :               0.00045318525047
                3d
                   -2 :               0.00028672976900
                   -1 :              -0.00020653584863
                   +0 :               0.00010850804163
                   +1 :               0.00032729059598
                   +2 :              -0.00016420118890
              7 vec=    10.163745     -5.868041      2.510641   |vec|=   12.001622
                2s
                   +0 :              -0.00020948279165
                2p
                   -1 :              -0.00016144698122
                   +0 :              -0.00007632546721
                   +1 :              -0.00017656432593
                3s
                   +0 :               0.00059492307638
                4s
                   +0 :              -0.00012558275994
                3p
                   -1 :               0.00095227256741
                   +0 :               0.00042802087921
                   +1 :               0.00105090544046
                4p
                   -1 :              -0.00037652461020
                   +0 :              -0.00023268513149
                   +1 :              -0.00010685630449
                3d
                   -2 :               0.00018048617321
                   -1 :               0.00018998533980
                   +0 :              -0.00013149251115
                   +1 :               0.00026516059207
                   +2 :               0.00053168843296
              8 vec=   -13.176743     -1.376162      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00026317434730
                2p
                   -1 :               0.00003314859659
                   +0 :               0.00003679445951
                   +1 :              -0.00015855125083
                3s
                   +0 :              -0.00019382250443
                4s
                   +0 :               0.00011641294455
                3p
                   -1 :              -0.00034121969191
                   +0 :               0.00010561200725
                   +1 :               0.00054423718862
                4p
                   -1 :              -0.00000824450635
                   +0 :               0.00003766012151
                   +1 :              -0.00011544817981
                3d
                   -2 :              -0.00006208638922
                   -1 :              -0.00011245728869
                   +0 :               0.00023803733660
                   +1 :               0.00010298406584
                   +2 :               0.00006813781811
              9 vec=    -5.396580     12.099475      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00001376820297
                2p
                   -1 :               0.00001963132916
                   +0 :              -0.00003815747827
                   +1 :              -0.00000969070588
                3s
                   +0 :               0.00009711000049
                4s
                   +0 :               0.00009214258860
                3p
                   -1 :              -0.00003030428304
                   +0 :              -0.00002970444772
                   +1 :               0.00003006238882
                4p
                   -1 :               0.00011145997140
                   +0 :               0.00006579408187
                   +1 :              -0.00008118952569
                3d
                   -2 :              -0.00005395851459
                   -1 :               0.00004540001021
                   +0 :               0.00001098731004
                   +1 :              -0.00007278464968
                   +2 :              -0.00008696964239
             10 vec=   -13.176743      7.607596      2.510641   |vec|=   15.420940
                2s
                   +0 :              -0.00010838184977
                2p
                   -1 :              -0.00003580162858
                   +0 :               0.00001793108275
                   +1 :               0.00005016837154
                3s
                   +0 :               0.00051676311721
                4s
                   +0 :              -0.00008567559599
                3p
                   -1 :               0.00011808542341
                   +0 :              -0.00008138476826
                   +1 :              -0.00027797677607
                4p
                   -1 :              -0.00000697369440
                   +0 :               0.00001409349260
                   +1 :               0.00004307718688
                3d
                   -2 :              -0.00005025840746
                   -1 :              -0.00001234240365
                   +0 :               0.00002174263083
                   +1 :               0.00003979218089
                   +2 :               0.00003869601440
             11 vec=    -5.396580    -14.851799      2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00002894505775
                2p
                   -1 :              -0.00001380467417
                   +0 :               0.00000106226148
                   +1 :               0.00000025855446
                3s
                   +0 :               0.00003472066862
                4s
                   +0 :              -0.00001690428614
                3p
                   -1 :              -0.00004511789103
                   +0 :              -0.00012057285760
                   +1 :               0.00007076242515
                4p
                   -1 :               0.00001242559792
                   +0 :               0.00001592959153
                   +1 :              -0.00001178933139
                3d
                   -2 :              -0.00001139694407
                   -1 :              -0.00001202070309
                   +0 :              -0.00000181193644
                   +1 :               0.00004197341599
                   +2 :              -0.00002529796635
             12 vec=    10.163745     12.099475      2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00004666595518
                2p
                   -1 :              -0.00000302845552
                   +0 :               0.00000351914337
                   +1 :              -0.00004213250040
                3s
                   +0 :               0.00027728543757
                4s
                   +0 :              -0.00009888111915
                3p
                   -1 :               0.00002492760228
                   +0 :              -0.00014651731891
                   +1 :               0.00035404679161
                4p
                   -1 :              -0.00002934611492
                   +0 :              -0.00000032628687
                   +1 :              -0.00006555553892
                3d
                   -2 :               0.00001976354277
                   -1 :              -0.00001056391277
                   +0 :               0.00001079689318
                   +1 :              -0.00004114067387
                   +2 :               0.00004392587091
             13 vec=   -13.176743    -10.359920      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00000936801989
                2p
                   -1 :              -0.00002069213164
                   +0 :              -0.00000490909764
                   +1 :              -0.00001029936563
                3s
                   +0 :               0.00005923551425
                4s
                   +0 :               0.00000002805370
                3p
                   -1 :               0.00003649439227
                   +0 :              -0.00001500317451
                   +1 :               0.00010109091503
                4p
                   -1 :              -0.00001037400537
                   +0 :              -0.00000812904045
                   +1 :              -0.00001126966735
                3d
                   -2 :               0.00001138321449
                   -1 :              -0.00001267180492
                   +0 :               0.00003180071712
                   +1 :               0.00000392273185
                   +2 :               0.00000992130313
             14 vec=     2.383582     16.591354      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00002233388445
                2p
                   -1 :               0.00001397777637
                   +0 :               0.00001026189460
                   +1 :               0.00001589648128
                3s
                   +0 :              -0.00003255028266
                4s
                   +0 :              -0.00000406411812
                3p
                   -1 :              -0.00005515322030
                   +0 :              -0.00012509174124
                   +1 :              -0.00009524346100
                4p
                   -1 :              -0.00000174041328
                   +0 :               0.00002780355317
                   +1 :               0.00003290473821
                3d
                   -2 :              -0.00002379240142
                   -1 :              -0.00001329840648
                   +0 :               0.00000419779592
                   +1 :              -0.00002191637425
                   +2 :               0.00001713867511
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al(  9)  npairs=  14
              1 vec=    -0.209805      3.115717     -1.580453   |vec|=    3.499934
                2s
                   +0 :              -0.02291318675065
                2p
                   -1 :              -0.02224126549310
                   +0 :               0.00420654117797
                   +1 :               0.00071687786183
                3s
                   +0 :              -0.03459148111113
                4s
                   +0 :              -0.00980269996572
                3p
                   -1 :              -0.06011061810878
                   +0 :              -0.01654715136765
                   +1 :               0.00988047346654
                4p
                   -1 :              -0.00964478319290
                   +0 :               0.00303024702448
                   +1 :              -0.00102083802127
                3d
                   -2 :               0.00657371168668
                   -1 :               0.00006912078851
                   +0 :               0.03188579191301
                   +1 :               0.00023891636779
                   +2 :               0.03751502142568
              2 vec=    -0.209805     -5.868041     -1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00184096142258
                2p
                   -1 :              -0.00135808139331
                   +0 :               0.00024674427626
                   +1 :              -0.00046861203774
                3s
                   +0 :              -0.00787809969037
                4s
                   +0 :               0.00310486177212
                3p
                   -1 :               0.00588743505737
                   +0 :               0.00313193917749
                   +1 :              -0.00353671409748
                4p
                   -1 :              -0.00160073571203
                   +0 :               0.00026120368004
                   +1 :              -0.00019193630383
                3d
                   -2 :               0.00189954593746
                   -1 :              -0.00162682906802
                   +0 :              -0.00069942529112
                   +1 :               0.00032979127768
                   +2 :               0.00180489853896
              3 vec=     7.570358     -1.376162     -1.580453   |vec|=    7.855060
                2s
                   +0 :              -0.00035550356246
                2p
                   -1 :               0.00073774632579
                   +0 :              -0.00022012475105
                   +1 :              -0.00003545623583
                3s
                   +0 :               0.00550772860727
                4s
                   +0 :              -0.00095738596307
                3p
                   -1 :              -0.00543193503899
                   +0 :               0.00259358016001
                   +1 :               0.00587930248235
                4p
                   -1 :               0.00095628909310
                   +0 :              -0.00109243109077
                   +1 :              -0.00040336138465
                3d
                   -2 :              -0.00246399767342
                   -1 :               0.00037666305043
                   +0 :              -0.00163969173387
                   +1 :              -0.00020122489579
                   +2 :               0.00042034074606
              4 vec=    -7.989968     -1.376162     -1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00075019267939
                2p
                   -1 :               0.00049108505402
                   +0 :              -0.00004820549548
                   +1 :              -0.00123716741601
                3s
                   +0 :               0.00030027831717
                4s
                   +0 :               0.00188388190923
                3p
                   -1 :              -0.00606022642097
                   +0 :              -0.00049288807067
                   +1 :               0.00648197540272
                4p
                   -1 :               0.00140525212865
                   +0 :              -0.00041822230784
                   +1 :              -0.00190766500351
                3d
                   -2 :               0.00117759874150
                   -1 :               0.00160366389667
                   +0 :               0.00014935253904
                   +1 :              -0.00098383275592
                   +2 :              -0.00195671849053
              5 vec=     7.570358      7.607596     -1.580453   |vec|=   10.848210
                2s
                   +0 :               0.00012046057427
                2p
                   -1 :               0.00010356598117
                   +0 :               0.00008162212768
                   +1 :              -0.00013566450980
                3s
                   +0 :              -0.00176056034858
                4s
                   +0 :               0.00031482611082
                3p
                   -1 :              -0.00087415148032
                   +0 :              -0.00142835364764
                   +1 :              -0.00024872642215
                4p
                   -1 :               0.00024209986342
                   +0 :               0.00018644282450
                   +1 :               0.00012298176435
                3d
                   -2 :               0.00018920295108
                   -1 :              -0.00032912593397
                   +0 :              -0.00010493562164
                   +1 :              -0.00043188015752
                   +2 :              -0.00002717035356
              6 vec=    -7.989968      7.607596     -1.580453   |vec|=   11.145086
                2s
                   +0 :              -0.00009275115851
                2p
                   -1 :              -0.00018468488310
                   +0 :               0.00005652075957
                   +1 :              -0.00007328143713
                3s
                   +0 :              -0.00010221571638
                4s
                   +0 :               0.00030202816010
                3p
                   -1 :               0.00071728974054
                   +0 :              -0.00109594316897
                   +1 :               0.00067454720280
                4p
                   -1 :              -0.00000337366564
                   +0 :               0.00014767857869
                   +1 :              -0.00025064308464
                3d
                   -2 :              -0.00023011939345
                   -1 :              -0.00018531161375
                   +0 :              -0.00014409758148
                   +1 :               0.00033744176236
                   +2 :              -0.00017591775537
              7 vec=    -0.209805     12.099475     -1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00001141842350
                2p
                   -1 :              -0.00004600429303
                   +0 :              -0.00020190100237
                   +1 :              -0.00001941061872
                3s
                   +0 :              -0.00017997372866
                4s
                   +0 :              -0.00010391623603
                3p
                   -1 :               0.00007230474714
                   +0 :               0.00112283983397
                   +1 :               0.00008412171947
                4p
                   -1 :              -0.00010051880839
                   +0 :              -0.00029386541053
                   +1 :               0.00003471040812
                3d
                   -2 :               0.00006226295996
                   -1 :               0.00009566424488
                   +0 :              -0.00015176185976
                   +1 :              -0.00001952148927
                   +2 :              -0.00008657223975
              8 vec=     7.570358    -10.359920     -1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00017369735885
                2p
                   -1 :              -0.00000427886025
                   +0 :               0.00019334149322
                   +1 :              -0.00008454884044
                3s
                   +0 :              -0.00074109164945
                4s
                   +0 :               0.00012619029984
                3p
                   -1 :              -0.00022718696358
                   +0 :              -0.00090700183603
                   +1 :               0.00029848704046
                4p
                   -1 :               0.00008743677966
                   +0 :               0.00030431484072
                   +1 :              -0.00011037411781
                3d
                   -2 :              -0.00021031755476
                   -1 :               0.00027031960406
                   +0 :              -0.00008381388937
                   +1 :               0.00002852145294
                   +2 :              -0.00007810230125
              9 vec=    -7.989968    -10.359920     -1.580453   |vec|=   13.178215
                2s
                   +0 :              -0.00043576262695
                2p
                   -1 :               0.00011936044115
                   +0 :               0.00006678673164
                   +1 :               0.00016665325595
                3s
                   +0 :               0.00262027544412
                4s
                   +0 :              -0.00041187502735
                3p
                   -1 :              -0.00053363170187
                   +0 :              -0.00067629559178
                   +1 :              -0.00144852245427
                4p
                   -1 :               0.00008925473339
                   +0 :               0.00007366023048
                   +1 :               0.00013621671439
                3d
                   -2 :               0.00009184716888
                   -1 :               0.00010029141949
                   +0 :               0.00004855081132
                   +1 :               0.00033945808303
                   +2 :               0.00027201837618
             10 vec=    -0.209805    -14.851799     -1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00000824863563
                2p
                   -1 :               0.00000799062043
                   +0 :               0.00001137804484
                   +1 :               0.00000190077189
                3s
                   +0 :               0.00019801136387
                4s
                   +0 :              -0.00003843617967
                3p
                   -1 :              -0.00015169334254
                   +0 :               0.00002749053433
                   +1 :              -0.00002823651237
                4p
                   -1 :               0.00003502480680
                   +0 :              -0.00001884456414
                   +1 :               0.00003807068694
                3d
                   -2 :               0.00000734674578
                   -1 :              -0.00003448762890
                   +0 :               0.00000094141976
                   +1 :              -0.00003791155794
                   +2 :              -0.00002299959794
             11 vec=    15.350520      3.115717     -1.580453   |vec|=   15.743062
                2s
                   +0 :               0.00010867503822
                2p
                   -1 :              -0.00006265664372
                   +0 :              -0.00001667567565
                   +1 :               0.00003605770921
                3s
                   +0 :              -0.00049781000833
                4s
                   +0 :               0.00012734731972
                3p
                   -1 :               0.00030547072187
                   +0 :               0.00002985373468
                   +1 :              -0.00021009980761
                4p
                   -1 :              -0.00008681734924
                   +0 :               0.00001388973557
                   +1 :               0.00004785556947
                3d
                   -2 :               0.00005282201284
                   -1 :              -0.00002262521640
                   +0 :               0.00001492409837
                   +1 :               0.00000539062186
                   +2 :              -0.00000639615779
             12 vec=   -15.770130      3.115717     -1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00001895450122
                2p
                   -1 :              -0.00000604488158
                   +0 :               0.00002145992915
                   +1 :               0.00002387166413
                3s
                   +0 :              -0.00004190704203
                4s
                   +0 :               0.00002627124864
                3p
                   -1 :               0.00002715228806
                   +0 :              -0.00022782064710
                   +1 :              -0.00008453774600
                4p
                   -1 :               0.00003347141572
                   +0 :               0.00005854018517
                   +1 :               0.00001803601615
                3d
                   -2 :              -0.00001177669215
                   -1 :              -0.00005268782258
                   +0 :              -0.00003355524739
                   +1 :               0.00006757873434
                   +2 :               0.00009594150785
             13 vec=    15.350520     -5.868041     -1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00005473375775
                2p
                   -1 :               0.00003721092861
                   +0 :               0.00000271174839
                   +1 :              -0.00004225310663
                3s
                   +0 :               0.00012987404278
                4s
                   +0 :              -0.00011348454824
                3p
                   -1 :              -0.00015075319623
                   +0 :               0.00005115168550
                   +1 :               0.00026030847240
                4p
                   -1 :               0.00006100119560
                   +0 :              -0.00001125856083
                   +1 :              -0.00009226641859
                3d
                   -2 :              -0.00002873239336
                   -1 :              -0.00002166623118
                   +0 :              -0.00001684804528
                   +1 :               0.00001098124842
                   +2 :               0.00004020132180
             14 vec=   -15.770130     -5.868041     -1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00004791269596
                2p
                   -1 :               0.00003425845253
                   +0 :               0.00002798582430
                   +1 :               0.00003024983520
                3s
                   +0 :               0.00020074961628
                4s
                   +0 :              -0.00001420140975
                3p
                   -1 :              -0.00007986305142
                   +0 :              -0.00016128586033
                   +1 :              -0.00016957531873
                4p
                   -1 :               0.00002759524529
                   +0 :               0.00001454581392
                   +1 :               0.00000610494298
                3d
                   -2 :               0.00002866871390
                   -1 :               0.00000959534954
                   +0 :              -0.00001418673370
                   +1 :               0.00004487482781
                   +2 :               0.00005579711661
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al( 10)  npairs=  14
              1 vec=    -0.209805      3.115717      5.671873   |vec|=    6.474709
                2s
                   +0 :              -0.00491373758081
                2p
                   -1 :              -0.00198888673633
                   +0 :              -0.00265934227240
                   +1 :               0.00044601842462
                3s
                   +0 :               0.01712557334351
                4s
                   +0 :              -0.00748569203094
                3p
                   -1 :               0.00697404131949
                   +0 :               0.01336088984972
                   +1 :               0.00168372433640
                4p
                   -1 :              -0.00359723215837
                   +0 :              -0.00551424209743
                   +1 :               0.00029400622205
                3d
                   -2 :               0.00052085060132
                   -1 :               0.00085245680580
                   +0 :               0.00228624500192
                   +1 :               0.00105836229042
                   +2 :               0.00197685336133
              2 vec=    -0.209805     -5.868041      5.671873   |vec|=    8.163827
                2s
                   +0 :               0.00152267125346
                2p
                   -1 :              -0.00107587600039
                   +0 :               0.00045403090871
                   +1 :              -0.00016187575351
                3s
                   +0 :               0.00694082948116
                4s
                   +0 :               0.00148773178232
                3p
                   -1 :              -0.00529231084325
                   +0 :              -0.00041016038548
                   +1 :               0.00239408936472
                4p
                   -1 :              -0.00128624422623
                   +0 :               0.00030952062779
                   +1 :              -0.00093858079779
                3d
                   -2 :              -0.00010019047652
                   -1 :              -0.00013703743477
                   +0 :              -0.00189680735133
                   +1 :               0.00000197146084
                   +2 :              -0.00218981329327
              3 vec=     7.570358     -1.376162      5.671873   |vec|=    9.558990
                2s
                   +0 :               0.00065418337959
                2p
                   -1 :               0.00088756592572
                   +0 :               0.00012345682956
                   +1 :              -0.00025366082032
                3s
                   +0 :              -0.00125509114301
                4s
                   +0 :               0.00040519492383
                3p
                   -1 :              -0.00331939274084
                   +0 :              -0.00070042045890
                   +1 :               0.00099217146770
                4p
                   -1 :               0.00085982574557
                   +0 :               0.00028937804696
                   +1 :              -0.00019787225135
                3d
                   -2 :              -0.00024351423063
                   -1 :              -0.00032187123805
                   +0 :               0.00013909928031
                   +1 :               0.00065683903350
                   +2 :               0.00090870090636
              4 vec=    -7.989968     -1.376162      5.671873   |vec|=    9.894622
                2s
                   +0 :              -0.00061142134585
                2p
                   -1 :              -0.00054616523470
                   +0 :              -0.00042284726756
                   +1 :              -0.00010964474450
                3s
                   +0 :              -0.00027559773000
                4s
                   +0 :              -0.00010373385834
                3p
                   -1 :               0.00237820490460
                   +0 :               0.00409197700926
                   +1 :               0.00335077604509
                4p
                   -1 :              -0.00094345285645
                   +0 :              -0.00016644489629
                   +1 :              -0.00097097445157
                3d
                   -2 :               0.00042371612767
                   -1 :               0.00137793541069
                   +0 :               0.00111369835222
                   +1 :              -0.00143242193947
                   +2 :              -0.00100645315318
              5 vec=     7.570358      7.607596      5.671873   |vec|=   12.139027
                2s
                   +0 :               0.00013513939529
                2p
                   -1 :              -0.00001921488665
                   +0 :               0.00012411022562
                   +1 :               0.00008559505581
                3s
                   +0 :               0.00043274023854
                4s
                   +0 :               0.00017548221460
                3p
                   -1 :               0.00000707637309
                   +0 :               0.00016555957446
                   +1 :               0.00018972822725
                4p
                   -1 :               0.00001956521127
                   +0 :               0.00012978350234
                   +1 :               0.00014133169450
                3d
                   -2 :               0.00010230501041
                   -1 :              -0.00000673927067
                   +0 :               0.00016826723765
                   +1 :               0.00017387015285
                   +2 :               0.00013724421573
              6 vec=    -7.989968      7.607596      5.671873   |vec|=   12.405049
                2s
                   +0 :               0.00036275781564
                2p
                   -1 :               0.00018154399102
                   +0 :               0.00010725477236
                   +1 :              -0.00017721285699
                3s
                   +0 :              -0.00063454097036
                4s
                   +0 :               0.00016721618265
                3p
                   -1 :              -0.00108664252832
                   +0 :               0.00011645956515
                   +1 :               0.00046940661928
                4p
                   -1 :               0.00011763419356
                   +0 :              -0.00002061388000
                   +1 :              -0.00010784998479
                3d
                   -2 :               0.00032678991303
                   -1 :              -0.00019936965401
                   +0 :               0.00014539134933
                   +1 :               0.00010881574868
                   +2 :               0.00002147357044
              7 vec=    -0.209805     12.099475      5.671873   |vec|=   13.364560
                2s
                   +0 :              -0.00010001252860
                2p
                   -1 :              -0.00004372046264
                   +0 :               0.00000128942999
                   +1 :              -0.00002338690965
                3s
                   +0 :               0.00080499534615
                4s
                   +0 :              -0.00012149516687
                3p
                   -1 :               0.00045985041306
                   +0 :              -0.00016194210476
                   +1 :               0.00024354187668
                4p
                   -1 :              -0.00004858083512
                   +0 :               0.00009442272871
                   +1 :              -0.00003043553276
                3d
                   -2 :               0.00009254849403
                   -1 :              -0.00001783659870
                   +0 :               0.00000979978323
                   +1 :              -0.00001492143729
                   +2 :              -0.00011262107466
              8 vec=     7.570358    -10.359920      5.671873   |vec|=   14.028842
                2s
                   +0 :               0.00026513976191
                2p
                   -1 :              -0.00023118014664
                   +0 :               0.00006634672695
                   +1 :              -0.00007542385964
                3s
                   +0 :               0.00000581115586
                4s
                   +0 :               0.00003267350996
                3p
                   -1 :               0.00040069907936
                   +0 :              -0.00035095637839
                   +1 :               0.00063042797851
                4p
                   -1 :              -0.00004487949567
                   +0 :               0.00007956516760
                   +1 :              -0.00025068227541
                3d
                   -2 :              -0.00003204525205
                   -1 :               0.00022580664979
                   +0 :              -0.00000864268308
                   +1 :               0.00000505493492
                   +2 :               0.00009160135957
              9 vec=    -7.989968    -10.359920      5.671873   |vec|=   14.259652
                2s
                   +0 :               0.00005524961589
                2p
                   -1 :              -0.00003272411563
                   +0 :               0.00000293697768
                   +1 :               0.00005457350829
                3s
                   +0 :               0.00009625136696
                4s
                   +0 :               0.00010539696863
                3p
                   -1 :              -0.00001479042109
                   +0 :               0.00020659606389
                   +1 :              -0.00015776821400
                4p
                   -1 :              -0.00006669363143
                   +0 :              -0.00002387841683
                   +1 :              -0.00002178265555
                3d
                   -2 :              -0.00000335624416
                   -1 :              -0.00014684078035
                   +0 :               0.00006416438579
                   +1 :               0.00001622375327
                   +2 :              -0.00013127178818
             10 vec=    -0.209805    -14.851799      5.671873   |vec|=   15.899374
                2s
                   +0 :               0.00004269671336
                2p
                   -1 :              -0.00001041246857
                   +0 :              -0.00001243245693
                   +1 :              -0.00001514708497
                3s
                   +0 :              -0.00010392733801
                4s
                   +0 :               0.00002113745009
                3p
                   -1 :               0.00003572253967
                   +0 :               0.00007279418427
                   +1 :              -0.00001196478498
                4p
                   -1 :               0.00000229803914
                   +0 :              -0.00003069904057
                   +1 :              -0.00000948317282
                3d
                   -2 :               0.00001145075970
                   -1 :              -0.00000806718897
                   +0 :              -0.00001638448823
                   +1 :              -0.00000650287814
                   +2 :              -0.00000051174708
             11 vec=    15.350520      3.115717      5.671873   |vec|=   16.658821
                2s
                   +0 :              -0.00006303603141
                2p
                   -1 :              -0.00000412702269
                   +0 :              -0.00001619804795
                   +1 :              -0.00000443197093
                3s
                   +0 :               0.00026423082890
                4s
                   +0 :              -0.00003373269092
                3p
                   -1 :               0.00009964697133
                   +0 :               0.00013317102248
                   +1 :               0.00006236336667
                4p
                   -1 :              -0.00002373120521
                   +0 :              -0.00001447982495
                   +1 :               0.00001163994095
                3d
                   -2 :               0.00001003615186
                   -1 :               0.00005610998278
                   +0 :               0.00001530864020
                   +1 :               0.00003938684401
                   +2 :              -0.00000889140849
             12 vec=   -15.770130      3.115717      5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00005404794932
                2p
                   -1 :               0.00000062044854
                   +0 :               0.00000617973136
                   +1 :               0.00000674828962
                3s
                   +0 :               0.00033724938008
                4s
                   +0 :              -0.00001465352517
                3p
                   -1 :               0.00005541086181
                   +0 :               0.00004595355903
                   +1 :              -0.00010711710119
                4p
                   -1 :               0.00001108788980
                   +0 :               0.00001075236401
                   +1 :              -0.00000668023715
                3d
                   -2 :              -0.00002752468226
                   -1 :               0.00001023219606
                   +0 :              -0.00000312167959
                   +1 :               0.00000573045135
                   +2 :               0.00000715982275
             13 vec=    15.350520     -5.868041      5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00002801566505
                2p
                   -1 :               0.00002730457654
                   +0 :               0.00001607412641
                   +1 :               0.00001424079456
                3s
                   +0 :               0.00018079196881
                4s
                   +0 :              -0.00009131907840
                3p
                   -1 :              -0.00018921049173
                   +0 :              -0.00005540666612
                   +1 :              -0.00002767255395
                4p
                   -1 :               0.00005308745806
                   +0 :              -0.00000314170275
                   +1 :              -0.00003200293163
                3d
                   -2 :              -0.00002315671748
                   -1 :               0.00001601868466
                   +0 :               0.00000936416116
                   +1 :              -0.00002328091606
                   +2 :              -0.00004026399671
             14 vec=   -15.770130     -5.868041      5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00005516987461
                2p
                   -1 :              -0.00001827739939
                   +0 :               0.00000822049545
                   +1 :              -0.00001956679380
                3s
                   +0 :              -0.00030373789414
                4s
                   +0 :               0.00011435535972
                3p
                   -1 :               0.00019123395342
                   +0 :               0.00008499812328
                   +1 :               0.00014491647250
                4p
                   -1 :              -0.00003543826092
                   +0 :               0.00000372389200
                   +1 :              -0.00006144389089
                3d
                   -2 :              -0.00000954517198
                   -1 :              -0.00002335477137
                   +0 :              -0.00002599623971
                   +1 :              -0.00001318107172
                   +2 :              -0.00000098478624
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al( 11)  npairs=  13
              1 vec=    -0.209805      3.115717     -6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00164781518361
                2p
                   -1 :               0.00116307884205
                   +0 :              -0.00123523230358
                   +1 :              -0.00040887930253
                3s
                   +0 :              -0.00758603307497
                4s
                   +0 :               0.00241249037502
                3p
                   -1 :              -0.00233334795331
                   +0 :              -0.00048534341859
                   +1 :               0.00376762506458
                4p
                   -1 :               0.00057304163596
                   +0 :              -0.00173142122978
                   +1 :              -0.00033207998993
                3d
                   -2 :               0.00105605689890
                   -1 :              -0.00252755848112
                   +0 :               0.00298227446959
                   +1 :              -0.00057409317219
                   +2 :              -0.00341448027459
              2 vec=    -0.209805     -5.868041     -6.601898   |vec|=    8.835326
                2s
                   +0 :               0.00077389163498
                2p
                   -1 :               0.00039420059416
                   +0 :               0.00016571841077
                   +1 :               0.00036005068903
                3s
                   +0 :              -0.01452650041992
                4s
                   +0 :              -0.00010294711345
                3p
                   -1 :               0.00874060704987
                   +0 :               0.00768011199228
                   +1 :              -0.00238451430043
                4p
                   -1 :               0.00068199912512
                   +0 :               0.00055838579718
                   +1 :               0.00078105890583
                3d
                   -2 :               0.00052764058575
                   -1 :              -0.00408484216259
                   +0 :              -0.00076892196598
                   +1 :               0.00041584571564
                   +2 :               0.00264896865123
              3 vec=     7.570358     -1.376162     -6.601898   |vec|=   10.138500
                2s
                   +0 :              -0.00062341187927
                2p
                   -1 :              -0.00082480746366
                   +0 :               0.00044947598549
                   +1 :               0.00018710416479
                3s
                   +0 :              -0.00094520688685
                4s
                   +0 :               0.00108508479086
                3p
                   -1 :               0.00386748775972
                   +0 :              -0.00155022444362
                   +1 :              -0.00253679564433
                4p
                   -1 :              -0.00100229043684
                   +0 :              -0.00013078264318
                   +1 :               0.00114290513129
                3d
                   -2 :               0.00082973037986
                   -1 :              -0.00037939584521
                   +0 :              -0.00047738296019
                   +1 :              -0.00001563313438
                   +2 :              -0.00104329652709
              4 vec=    -7.989968     -1.376162     -6.601898   |vec|=   10.455547
                2s
                   +0 :               0.00014052154368
                2p
                   -1 :              -0.00003615388597
                   +0 :               0.00001738613123
                   +1 :              -0.00011034654356
                3s
                   +0 :              -0.00068358251563
                4s
                   +0 :               0.00059802098987
                3p
                   -1 :               0.00028113990611
                   +0 :              -0.00045535000121
                   +1 :               0.00126569444794
                4p
                   -1 :              -0.00018090195100
                   +0 :              -0.00002835374755
                   +1 :              -0.00058922674587
                3d
                   -2 :              -0.00018897192273
                   -1 :              -0.00014877173982
                   +0 :              -0.00037062248854
                   +1 :               0.00005893907434
                   +2 :              -0.00056097947962
              5 vec=     7.570358      7.607596     -6.601898   |vec|=   12.600432
                2s
                   +0 :               0.00032795141090
                2p
                   -1 :               0.00002010933852
                   +0 :              -0.00010633235485
                   +1 :               0.00009670498308
                3s
                   +0 :              -0.00101186893405
                4s
                   +0 :               0.00004166538814
                3p
                   -1 :               0.00047642034956
                   +0 :               0.00071170868893
                   +1 :              -0.00026003121314
                4p
                   -1 :              -0.00023261190744
                   +0 :              -0.00002746259290
                   +1 :              -0.00005482375580
                3d
                   -2 :               0.00015706726170
                   -1 :               0.00002572477181
                   +0 :              -0.00030980481817
                   +1 :               0.00022536178722
                   +2 :              -0.00012243246672
              6 vec=    -7.989968      7.607596     -6.601898   |vec|=   12.856911
                2s
                   +0 :              -0.00042180867418
                2p
                   -1 :              -0.00012732924068
                   +0 :               0.00011982836269
                   +1 :               0.00010691486305
                3s
                   +0 :               0.00157063478257
                4s
                   +0 :              -0.00044125275717
                3p
                   -1 :               0.00091405370912
                   +0 :              -0.00049918913956
                   +1 :              -0.00056807639340
                4p
                   -1 :              -0.00013079810626
                   +0 :               0.00014722781340
                   +1 :               0.00009069919021
                3d
                   -2 :              -0.00013855414201
                   -1 :              -0.00010141252210
                   +0 :              -0.00004039582417
                   +1 :               0.00014947341341
                   +2 :              -0.00002892397627
              7 vec=    -0.209805     12.099475     -6.601898   |vec|=   13.785005
                2s
                   +0 :              -0.00013665652596
                2p
                   -1 :               0.00001847520916
                   +0 :               0.00008053118784
                   +1 :              -0.00001060360826
                3s
                   +0 :               0.00016472068943
                4s
                   +0 :              -0.00015279203857
                3p
                   -1 :              -0.00028974976870
                   +0 :              -0.00047839878555
                   +1 :               0.00009601080660
                4p
                   -1 :               0.00002323675765
                   +0 :               0.00008869564647
                   +1 :              -0.00006935708487
                3d
                   -2 :               0.00000915768580
                   -1 :              -0.00007510419204
                   +0 :              -0.00002249196842
                   +1 :               0.00000794341551
                   +2 :               0.00009371336577
              8 vec=     7.570358    -10.359920     -6.601898   |vec|=   14.429945
                2s
                   +0 :              -0.00010848159837
                2p
                   -1 :               0.00004472477786
                   +0 :              -0.00002429906837
                   +1 :               0.00000729126204
                3s
                   +0 :               0.00027238804354
                4s
                   +0 :              -0.00013922865304
                3p
                   -1 :              -0.00015987844611
                   +0 :               0.00003397033372
                   +1 :              -0.00016832347204
                4p
                   -1 :               0.00001213267565
                   +0 :               0.00006430597378
                   +1 :               0.00003643383435
                3d
                   -2 :               0.00008231705282
                   -1 :              -0.00000493655676
                   +0 :               0.00008142859546
                   +1 :               0.00000573881312
                   +2 :              -0.00007034768546
              9 vec=    -7.989968    -10.359920     -6.601898   |vec|=   14.654439
                2s
                   +0 :               0.00006358933280
                2p
                   -1 :              -0.00005180067329
                   +0 :              -0.00003756446544
                   +1 :               0.00003242313833
                3s
                   +0 :              -0.00015407091047
                4s
                   +0 :               0.00018402761570
                3p
                   -1 :               0.00017781923987
                   +0 :               0.00021804102463
                   +1 :              -0.00012685277343
                4p
                   -1 :              -0.00005744191954
                   +0 :              -0.00007999972531
                   +1 :              -0.00001271375840
                3d
                   -2 :              -0.00003291122713
                   -1 :              -0.00006211048882
                   +0 :               0.00001529211396
                   +1 :              -0.00004419608964
                   +2 :               0.00004009339028
             10 vec=    -0.209805    -14.851799     -6.601898   |vec|=   16.254384
                2s
                   +0 :               0.00009949357797
                2p
                   -1 :              -0.00003169466186
                   +0 :              -0.00005207913759
                   +1 :              -0.00001453548239
                3s
                   +0 :              -0.00035990457279
                4s
                   +0 :               0.00008985946068
                3p
                   -1 :               0.00012669908682
                   +0 :               0.00028042168657
                   +1 :               0.00013483841676
                4p
                   -1 :              -0.00000043437396
                   +0 :              -0.00006697681046
                   +1 :              -0.00005044609976
                3d
                   -2 :              -0.00001829431785
                   -1 :              -0.00005581098061
                   +0 :              -0.00002143374734
                   +1 :              -0.00000344251625
                   +2 :               0.00001279130435
             11 vec=    15.350520      3.115717     -6.601898   |vec|=   16.997977
                2s
                   +0 :               0.00008713774675
                2p
                   -1 :              -0.00000226415052
                   +0 :               0.00000074301039
                   +1 :               0.00002064003754
                3s
                   +0 :              -0.00038027810231
                4s
                   +0 :               0.00004210205844
                3p
                   -1 :               0.00003361411633
                   +0 :               0.00001438564475
                   +1 :              -0.00012686003593
                4p
                   -1 :              -0.00003338634141
                   +0 :               0.00000478279793
                   +1 :              -0.00000114616323
                3d
                   -2 :               0.00001690609221
                   -1 :               0.00000193945639
                   +0 :              -0.00000467149793
                   +1 :               0.00000484197235
                   +2 :              -0.00005159409438
             12 vec=   -15.770130      3.115717     -6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00001740040885
                2p
                   -1 :               0.00001459335151
                   +0 :              -0.00003109791994
                   +1 :               0.00000742689174
                3s
                   +0 :               0.00018891338289
                4s
                   +0 :              -0.00005686178058
                3p
                   -1 :              -0.00004387287183
                   +0 :               0.00011388949452
                   +1 :              -0.00008028594117
                4p
                   -1 :               0.00000395957896
                   +0 :              -0.00001384179925
                   +1 :               0.00002367964208
                3d
                   -2 :               0.00000526578160
                   -1 :               0.00000661172447
                   +0 :              -0.00002215865925
                   +1 :              -0.00003283791566
                   +2 :               0.00004354960961
             13 vec=    15.350520     -5.868041     -6.601898   |vec|=   17.710376
                2s
                   +0 :               0.00000787498395
                2p
                   -1 :              -0.00002808429411
                   +0 :               0.00003135235413
                   +1 :              -0.00000818549247
                3s
                   +0 :              -0.00013905034197
                4s
                   +0 :               0.00008384214233
                3p
                   -1 :               0.00020653341741
                   +0 :              -0.00013804761595
                   +1 :               0.00001971790510
                4p
                   -1 :              -0.00007265176733
                   +0 :               0.00001998458405
                   +1 :               0.00001617424685
                3d
                   -2 :               0.00001998804532
                   -1 :               0.00002309431094
                   +0 :              -0.00002012439033
                   +1 :              -0.00004325510315
                   +2 :               0.00000915183659
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site Al( 12)  npairs=  15
              1 vec=    -0.209805      3.115717     10.693319   |vec|=   11.139963
                2s
                   +0 :               0.00073279898159
                2p
                   -1 :               0.00041863250606
                   +0 :               0.00037346776027
                   +1 :              -0.00009377079481
                3s
                   +0 :              -0.00042893359986
                4s
                   +0 :               0.00027856278218
                3p
                   -1 :              -0.00304737402985
                   +0 :              -0.00051196410712
                   +1 :              -0.00000189246378
                4p
                   -1 :               0.00053358011980
                   +0 :               0.00017190477668
                   +1 :               0.00009250851045
                3d
                   -2 :              -0.00001576393534
                   -1 :              -0.00036570864816
                   +0 :               0.00011588276326
                   +1 :              -0.00000962315130
                   +2 :               0.00020497356179
              2 vec=    -0.209805     -5.868041     10.693319   |vec|=   12.199385
                2s
                   +0 :               0.00010301125811
                2p
                   -1 :              -0.00010389186480
                   +0 :               0.00006971695679
                   +1 :               0.00004031441363
                3s
                   +0 :              -0.00087272942875
                4s
                   +0 :              -0.00008818085163
                3p
                   -1 :               0.00071473598987
                   +0 :              -0.00106039946332
                   +1 :              -0.00094633492178
                4p
                   -1 :              -0.00017293640017
                   +0 :              -0.00000316430311
                   +1 :               0.00020030584583
                3d
                   -2 :              -0.00000675302427
                   -1 :               0.00037869120907
                   +0 :              -0.00047900703273
                   +1 :              -0.00013893572609
                   +2 :               0.00044666956746
              3 vec=     7.570358     -1.376162     10.693319   |vec|=   13.173883
                2s
                   +0 :              -0.00041960151411
                2p
                   -1 :              -0.00014981947741
                   +0 :              -0.00004473585955
                   +1 :               0.00001830603058
                3s
                   +0 :               0.00323634635043
                4s
                   +0 :              -0.00051877707468
                3p
                   -1 :               0.00035853973547
                   +0 :               0.00142836707865
                   +1 :               0.00118060085056
                4p
                   -1 :              -0.00020201502783
                   +0 :              -0.00013002844899
                   +1 :              -0.00010302087659
                3d
                   -2 :              -0.00016232728439
                   -1 :               0.00000931023789
                   +0 :               0.00021401387889
                   +1 :               0.00034345152205
                   +2 :               0.00008735572891
              4 vec=    -7.989968     -1.376162     10.693319   |vec|=   13.419406
                2s
                   +0 :              -0.00011932408107
                2p
                   -1 :               0.00004429165096
                   +0 :              -0.00003547554136
                   +1 :              -0.00003741218774
                3s
                   +0 :               0.00154189787640
                4s
                   +0 :              -0.00023867423877
                3p
                   -1 :              -0.00071584195058
                   +0 :               0.00125519513577
                   +1 :              -0.00087077697298
                4p
                   -1 :               0.00002015246149
                   +0 :              -0.00011299756978
                   +1 :               0.00011831752118
                3d
                   -2 :               0.00005838368456
                   -1 :              -0.00012139102522
                   +0 :               0.00043960956877
                   +1 :              -0.00033462455794
                   +2 :               0.00024866257889
              5 vec=    -0.209805      3.115717    -13.854224   |vec|=   14.201804
                2s
                   +0 :               0.00001515699295
                2p
                   -1 :              -0.00009266873753
                   +0 :              -0.00003241145756
                   +1 :              -0.00007851025011
                3s
                   +0 :              -0.00026952041884
                4s
                   +0 :               0.00011334527267
                3p
                   -1 :               0.00052797336390
                   +0 :               0.00013681628992
                   +1 :               0.00035666836420
                4p
                   -1 :              -0.00009670691994
                   +0 :              -0.00004904573613
                   +1 :              -0.00006226204330
                3d
                   -2 :               0.00009340729260
                   -1 :              -0.00004270924731
                   +0 :               0.00000234223325
                   +1 :              -0.00009128556385
                   +2 :               0.00000220531249
              6 vec=    -0.209805     -5.868041    -13.854224   |vec|=   15.047174
                2s
                   +0 :               0.00016644438054
                2p
                   -1 :              -0.00012604121232
                   +0 :              -0.00002381158116
                   +1 :              -0.00000104343638
                3s
                   +0 :              -0.00049400232931
                4s
                   +0 :               0.00007647613856
                3p
                   -1 :               0.00042321481812
                   +0 :               0.00004689260045
                   +1 :              -0.00004377377551
                4p
                   -1 :              -0.00002901389610
                   +0 :              -0.00001501711068
                   +1 :               0.00004185448794
                3d
                   -2 :               0.00000240281421
                   -1 :              -0.00002234955322
                   +0 :               0.00007738378886
                   +1 :              -0.00003155050355
                   +2 :               0.00012702188420
              7 vec=     7.570358      7.607596     10.693319   |vec|=   15.150343
                2s
                   +0 :              -0.00004531057699
                2p
                   -1 :               0.00003163375564
                   +0 :               0.00001362820908
                   +1 :              -0.00002104540103
                3s
                   +0 :               0.00021954216457
                4s
                   +0 :              -0.00000886493846
                3p
                   -1 :              -0.00013724019971
                   +0 :              -0.00016316854188
                   +1 :               0.00001688709438
                4p
                   -1 :               0.00003810992843
                   +0 :               0.00004680374809
                   +1 :               0.00003628933316
                3d
                   -2 :              -0.00004297706383
                   -1 :              -0.00002076485533
                   +0 :               0.00004256745583
                   +1 :              -0.00002344742866
                   +2 :              -0.00002068216709
              8 vec=    -7.989968      7.607596     10.693319   |vec|=   15.364315
                2s
                   +0 :              -0.00011950297644
                2p
                   -1 :              -0.00002199623465
                   +0 :               0.00000293370798
                   +1 :              -0.00000182831444
                3s
                   +0 :               0.00060863475169
                4s
                   +0 :              -0.00006817932277
                3p
                   -1 :               0.00019605941111
                   +0 :              -0.00004285323521
                   +1 :              -0.00001193033516
                4p
                   -1 :              -0.00001134761690
                   +0 :               0.00003691958345
                   +1 :              -0.00004495043421
                3d
                   -2 :               0.00003335268781
                   -1 :              -0.00002501706265
                   +0 :               0.00001981662365
                   +1 :              -0.00001869830764
                   +2 :              -0.00005718103096
              9 vec=     7.570358     -1.376162    -13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00010029404337
                2p
                   -1 :              -0.00003231921788
                   +0 :              -0.00002711010696
                   +1 :               0.00000746663015
                3s
                   +0 :              -0.00061499798374
                4s
                   +0 :               0.00017168882617
                3p
                   -1 :               0.00005970578340
                   +0 :               0.00030747761086
                   +1 :              -0.00021823520509
                4p
                   -1 :              -0.00001981665754
                   +0 :              -0.00012262314490
                   +1 :               0.00002863383398
                3d
                   -2 :              -0.00006741735226
                   -1 :              -0.00001942080584
                   +0 :              -0.00003539147679
                   +1 :               0.00005228204395
                   +2 :               0.00001313203767
             10 vec=    -7.989968     -1.376162    -13.854224   |vec|=   16.052194
                2s
                   +0 :              -0.00004295678008
                2p
                   -1 :              -0.00004406842845
                   +0 :               0.00001373998892
                   +1 :               0.00001705438149
                3s
                   +0 :              -0.00017656943517
                4s
                   +0 :               0.00003968206816
                3p
                   -1 :               0.00003955199735
                   +0 :               0.00006601936740
                   +1 :               0.00018519349342
                4p
                   -1 :              -0.00006264885323
                   +0 :              -0.00004471872899
                   +1 :               0.00001539044837
                3d
                   -2 :               0.00006099046500
                   -1 :              -0.00004807319572
                   +0 :               0.00000549029192
                   +1 :               0.00000436586543
                   +2 :              -0.00009628892690
             11 vec=    -0.209805     12.099475     10.693319   |vec|=   16.148943
                2s
                   +0 :               0.00015681898650
                2p
                   -1 :               0.00007250811697
                   +0 :               0.00007270984442
                   +1 :              -0.00001071806455
                3s
                   +0 :              -0.00038730827389
                4s
                   +0 :               0.00023679006232
                3p
                   -1 :              -0.00029024118297
                   +0 :              -0.00031099563622
                   +1 :               0.00003851880311
                4p
                   -1 :               0.00008360446079
                   +0 :               0.00013425769869
                   +1 :              -0.00000173549340
                3d
                   -2 :               0.00001679802658
                   -1 :              -0.00005436107349
                   +0 :              -0.00004077681361
                   +1 :               0.00000764889348
                   +2 :               0.00000569836162
             12 vec=     7.570358    -10.359920     10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00000091845566
                2p
                   -1 :              -0.00001593520812
                   +0 :               0.00002244884555
                   +1 :              -0.00000077388613
                3s
                   +0 :               0.00002391888001
                4s
                   +0 :               0.00001508940039
                3p
                   -1 :               0.00015513275420
                   +0 :              -0.00018514776057
                   +1 :              -0.00010512648169
                4p
                   -1 :              -0.00002488020092
                   +0 :               0.00004269759588
                   +1 :               0.00002607700085
                3d
                   -2 :               0.00001540531707
                   -1 :               0.00005237926865
                   +0 :              -0.00006138637672
                   +1 :              -0.00002132251342
                   +2 :               0.00007671524310
             13 vec=    -7.989968    -10.359920     10.693319   |vec|=   16.897177
                2s
                   +0 :              -0.00001495117546
                2p
                   -1 :              -0.00000036325097
                   +0 :              -0.00002745338499
                   +1 :              -0.00002593521835
                3s
                   +0 :              -0.00001263505638
                4s
                   +0 :              -0.00001493759849
                3p
                   -1 :               0.00005485408708
                   +0 :               0.00024759697998
                   +1 :               0.00020280794192
                4p
                   -1 :              -0.00001752721426
                   +0 :              -0.00005981155501
                   +1 :              -0.00004944449656
                3d
                   -2 :              -0.00003736454669
                   -1 :              -0.00000913110479
                   +0 :              -0.00000452486946
                   +1 :              -0.00001280847151
                   +2 :              -0.00000369546394
             14 vec=     7.570358      7.607596    -13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00001160363039
                2p
                   -1 :              -0.00001080133574
                   +0 :               0.00002076278884
                   +1 :              -0.00003205438879
                3s
                   +0 :              -0.00076407592892
                4s
                   +0 :               0.00001053254886
                3p
                   -1 :              -0.00019161225670
                   +0 :               0.00007617183279
                   +1 :              -0.00038940172280
                4p
                   -1 :              -0.00002554017739
                   +0 :              -0.00000037591146
                   +1 :              -0.00002164545930
                3d
                   -2 :              -0.00013160251465
                   -1 :               0.00001701447352
                   +0 :               0.00008612088100
                   +1 :               0.00004201643795
                   +2 :              -0.00009812521368
             15 vec=    -7.989968      7.607596    -13.854224   |vec|=   17.710297
                2s
                   +0 :              -0.00002552492903
                2p
                   -1 :              -0.00002572343004
                   +0 :              -0.00000263418355
                   +1 :               0.00000665888814
                3s
                   +0 :              -0.00011287049701
                4s
                   +0 :              -0.00000196113782
                3p
                   -1 :              -0.00000760386182
                   +0 :               0.00006993496206
                   +1 :               0.00010168919429
                4p
                   -1 :              -0.00002802222758
                   +0 :              -0.00001680315996
                   +1 :              -0.00000815879800
                3d
                   -2 :               0.00001627075591
                   -1 :               0.00002246873123
                   +0 :               0.00001192154035
                   +1 :              -0.00001955330489
                   +2 :               0.00002117389446
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 13)  npairs=  14
              1 vec=    -0.419351     -2.752474      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00288318792475
                2s
                   +0 :               0.07415880754124
                3s
                   +0 :              -0.00506540570351
                2p
                   -1 :              -0.03260538698822
                   +0 :               0.03562433411186
                   +1 :              -0.00598708065938
                3p
                   -1 :               0.00603044396436
                   +0 :              -0.00583365056067
                   +1 :              -0.00128778842632
                3d
                   -2 :               0.00087302041051
                   -1 :              -0.00080184974585
                   +0 :               0.00036837232657
                   +1 :              -0.00029085913411
                   +2 :              -0.00102260517826
              2 vec=    -0.419351      6.231284      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00051398508327
                2s
                   +0 :               0.00473615229178
                3s
                   +0 :              -0.00141796474122
                2p
                   -1 :               0.00534630398272
                   +0 :               0.00063639933790
                   +1 :               0.00147981258126
                3p
                   -1 :              -0.00187881726931
                   +0 :              -0.00001067689268
                   +1 :              -0.00103751443481
                3d
                   -2 :               0.00018431273203
                   -1 :              -0.00006022328922
                   +0 :               0.00032914536842
                   +1 :              -0.00006717131302
                   +2 :               0.00011297242939
              3 vec=     7.360812      1.739405      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00015793446114
                2s
                   +0 :               0.00083843744908
                3s
                   +0 :              -0.00055332091908
                2p
                   -1 :              -0.00058928354699
                   +0 :              -0.00262704768704
                   +1 :               0.00345833498245
                3p
                   -1 :              -0.00075870776357
                   +0 :               0.00016936071169
                   +1 :              -0.00140380276489
                3d
                   -2 :              -0.00014618263363
                   -1 :              -0.00003503003701
                   +0 :              -0.00005265328755
                   +1 :              -0.00017308707679
                   +2 :               0.00018847174005
              4 vec=    -8.199513      1.739405      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00010923744364
                2s
                   +0 :               0.00127773039064
                3s
                   +0 :              -0.00000558938793
                2p
                   -1 :              -0.00013829894025
                   +0 :               0.00094870935893
                   +1 :              -0.00231162924137
                3p
                   -1 :               0.00003928794524
                   +0 :              -0.00090009584431
                   +1 :               0.00075125521689
                3d
                   -2 :               0.00000752784866
                   -1 :               0.00005791624290
                   +0 :               0.00006606662796
                   +1 :               0.00008233997209
                   +2 :               0.00000995171317
              5 vec=     7.360812     -7.244353      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00006442031463
                2s
                   +0 :               0.00018908697405
                3s
                   +0 :               0.00032435002161
                2p
                   -1 :              -0.00109879278057
                   +0 :               0.00152202192127
                   +1 :              -0.00010100725137
                3p
                   -1 :               0.00080498770350
                   +0 :              -0.00089284672635
                   +1 :               0.00007027599439
                3d
                   -2 :               0.00010475219579
                   -1 :               0.00000137794168
                   +0 :               0.00025855934229
                   +1 :               0.00007169143457
                   +2 :               0.00000431661531
              6 vec=    -8.199513     -7.244353      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00022027109812
                2s
                   +0 :               0.00169701507640
                3s
                   +0 :              -0.00057900156829
                2p
                   -1 :              -0.00093453512505
                   +0 :               0.00081191636902
                   +1 :              -0.00140476548630
                3p
                   -1 :               0.00031759157720
                   +0 :              -0.00044402517312
                   +1 :               0.00090409223795
                3d
                   -2 :              -0.00000280169421
                   -1 :               0.00001039815342
                   +0 :              -0.00002996190256
                   +1 :              -0.00004916528654
                   +2 :              -0.00006743324756
              7 vec=    -0.419351    -11.736232      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001776194073
                2s
                   +0 :               0.00032368010282
                3s
                   +0 :              -0.00005807499442
                2p
                   -1 :              -0.00010262022481
                   +0 :               0.00014674369129
                   +1 :               0.00047465706288
                3p
                   -1 :               0.00006663722512
                   +0 :              -0.00001579734942
                   +1 :              -0.00018866398930
                3d
                   -2 :              -0.00001365263373
                   -1 :               0.00001131858067
                   +0 :               0.00000225684900
                   +1 :              -0.00000757842408
                   +2 :              -0.00000170093797
              8 vec=     7.360812     10.723163      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00001232490939
                2s
                   +0 :               0.00038511652443
                3s
                   +0 :               0.00010219305246
                2p
                   -1 :               0.00042348663183
                   +0 :               0.00004543672957
                   +1 :              -0.00001368052188
                3p
                   -1 :               0.00011373547582
                   +0 :              -0.00003287801708
                   +1 :               0.00021458101021
                3d
                   -2 :               0.00003720570982
                   -1 :               0.00001860030624
                   +0 :              -0.00001713162817
                   +1 :               0.00001044061773
                   +2 :              -0.00001632047827
              9 vec=    -8.199513     10.723163      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00006546617526
                2s
                   +0 :               0.00064301047734
                3s
                   +0 :              -0.00008734308946
                2p
                   -1 :               0.00026679112774
                   +0 :              -0.00027855851432
                   +1 :              -0.00003536022726
                3p
                   -1 :               0.00007252255066
                   +0 :               0.00020226877094
                   +1 :              -0.00020799927050
                3d
                   -2 :              -0.00002265332297
                   -1 :               0.00002355661824
                   +0 :              -0.00002571145063
                   +1 :               0.00000357403479
                   +2 :              -0.00000166061706
             10 vec=    -0.419351     15.215042      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000237169534
                2s
                   +0 :               0.00004111348683
                3s
                   +0 :               0.00001836379671
                2p
                   -1 :               0.00007873775556
                   +0 :              -0.00009324911103
                   +1 :               0.00000387379940
                3p
                   -1 :               0.00001149316348
                   +0 :               0.00003885337749
                   +1 :              -0.00002359208029
                3d
                   -2 :               0.00000020124657
                   -1 :               0.00000052927246
                   +0 :              -0.00000191060655
                   +1 :               0.00000067837785
                   +2 :               0.00000187707212
             11 vec=    15.140975     -2.752474      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00001661401006
                2s
                   +0 :               0.00010415071466
                3s
                   +0 :               0.00001181745276
                2p
                   -1 :               0.00003018845909
                   +0 :               0.00004759728288
                   +1 :              -0.00019791991999
                3p
                   -1 :              -0.00005634333695
                   +0 :              -0.00005724384850
                   +1 :               0.00024182369256
                3d
                   -2 :              -0.00001556678041
                   -1 :              -0.00000822306171
                   +0 :              -0.00000278471980
                   +1 :               0.00000272040126
                   +2 :               0.00001297546982
             12 vec=   -15.979676     -2.752474      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00000431090048
                2s
                   +0 :              -0.00000206212857
                3s
                   +0 :               0.00002925790407
                2p
                   -1 :              -0.00016229973425
                   +0 :               0.00003394893082
                   +1 :              -0.00007197287843
                3p
                   -1 :               0.00011779993919
                   +0 :               0.00001408197384
                   +1 :              -0.00004180580593
                3d
                   -2 :              -0.00001083091386
                   -1 :               0.00000064870864
                   +0 :              -0.00001090813997
                   +1 :               0.00000074963981
                   +2 :               0.00000988999993
             13 vec=    15.140975      6.231284      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00001315576421
                2s
                   +0 :               0.00008365913487
                3s
                   +0 :              -0.00003688925776
                2p
                   -1 :               0.00002325684530
                   +0 :              -0.00008628801146
                   +1 :               0.00009047609616
                3p
                   -1 :              -0.00000543848955
                   +0 :               0.00006167373163
                   +1 :              -0.00004913705858
                3d
                   -2 :               0.00000821919890
                   -1 :              -0.00000566978338
                   +0 :               0.00000405502618
                   +1 :               0.00001129415009
                   +2 :               0.00000374313679
             14 vec=   -15.979676      6.231284      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00001147612733
                2s
                   +0 :               0.00012180676658
                3s
                   +0 :              -0.00002312475195
                2p
                   -1 :               0.00004653838738
                   +0 :              -0.00004909325076
                   +1 :              -0.00006499937057
                3p
                   -1 :              -0.00001119063229
                   +0 :               0.00003485470299
                   +1 :               0.00001180555500
                3d
                   -2 :               0.00000315256280
                   -1 :               0.00000014041775
                   +0 :               0.00000027089436
                   +1 :              -0.00000028582240
                   +2 :              -0.00000554446468
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 14)  npairs=  14
              1 vec=     2.593128      1.739405      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00226690308128
                2s
                   +0 :               0.06105045245013
                3s
                   +0 :              -0.00298405550546
                2p
                   -1 :               0.01264272209686
                   +0 :               0.02306124836980
                   +1 :               0.02354809769889
                3p
                   -1 :               0.00365139100442
                   +0 :               0.00327752667772
                   +1 :              -0.00147683487680
                3d
                   -2 :               0.00087547317687
                   -1 :               0.00123840223511
                   +0 :               0.00153203114435
                   +1 :               0.00307815705157
                   +2 :               0.00035169717278
              2 vec=    -5.187034     -2.752474      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00072590859913
                2s
                   +0 :              -0.00341533879339
                3s
                   +0 :               0.00191683253833
                2p
                   -1 :              -0.00210390645132
                   +0 :              -0.00596478210249
                   +1 :              -0.00103189962643
                3p
                   -1 :              -0.00019977073933
                   +0 :               0.00181203933332
                   +1 :              -0.00405153769824
                3d
                   -2 :               0.00077098151821
                   -1 :               0.00004089424139
                   +0 :              -0.00178011679902
                   +1 :              -0.00029214553753
                   +2 :               0.00045963518194
              3 vec=     2.593128     -7.244353      4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00011032606941
                2s
                   +0 :              -0.00136930427939
                3s
                   +0 :               0.00052404751836
                2p
                   -1 :               0.00091975354569
                   +0 :              -0.00208641373903
                   +1 :               0.00164017829252
                3p
                   -1 :              -0.00090466526393
                   +0 :              -0.00004225502798
                   +1 :              -0.00012735187749
                3d
                   -2 :              -0.00017766757290
                   -1 :               0.00006605694050
                   +0 :              -0.00015617109744
                   +1 :              -0.00011803450812
                   +2 :              -0.00010442075724
              4 vec=    -5.187034      6.231284      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00002997178887
                2s
                   +0 :               0.00082382960007
                3s
                   +0 :               0.00020140021643
                2p
                   -1 :               0.00146374061063
                   +0 :              -0.00075557621461
                   +1 :              -0.00196457910984
                3p
                   -1 :              -0.00003139427440
                   +0 :              -0.00013477189974
                   +1 :               0.00152008286879
                3d
                   -2 :              -0.00007316825094
                   -1 :              -0.00006390348496
                   +0 :              -0.00005081514477
                   +1 :               0.00010118915621
                   +2 :              -0.00010206174610
              5 vec=    10.373291     -2.752474      4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00026841235464
                2s
                   +0 :              -0.00149351072214
                3s
                   +0 :               0.00085363623656
                2p
                   -1 :              -0.00000312603768
                   +0 :               0.00025890169793
                   +1 :              -0.00032581220408
                3p
                   -1 :               0.00013685531951
                   +0 :              -0.00050236900613
                   +1 :               0.00056464221706
                3d
                   -2 :               0.00004693916664
                   -1 :              -0.00000705253589
                   +0 :              -0.00006404665978
                   +1 :              -0.00003241219167
                   +2 :               0.00007895004827
              6 vec=     2.593128     10.723163      4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00000762666650
                2s
                   +0 :               0.00021418624305
                3s
                   +0 :               0.00013006532059
                2p
                   -1 :               0.00041822844326
                   +0 :              -0.00019038545696
                   +1 :               0.00027105611129
                3p
                   -1 :              -0.00003101981624
                   +0 :              -0.00001299822802
                   +1 :              -0.00007605894092
                3d
                   -2 :               0.00001465145716
                   -1 :              -0.00000207536753
                   +0 :              -0.00002208872598
                   +1 :               0.00001340107244
                   +2 :              -0.00000034770176
              7 vec=    10.373291      6.231284      4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00001803205506
                2s
                   +0 :               0.00003763686104
                3s
                   +0 :               0.00010524246017
                2p
                   -1 :              -0.00032335089077
                   +0 :              -0.00013009821986
                   +1 :              -0.00023403792071
                3p
                   -1 :               0.00021246414472
                   +0 :               0.00014626218547
                   +1 :               0.00035139106517
                3d
                   -2 :               0.00000238031077
                   -1 :              -0.00002121740138
                   +0 :              -0.00003705636333
                   +1 :               0.00001582865923
                   +2 :              -0.00001187341260
              8 vec=    -5.187034    -11.736232      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00007059491671
                2s
                   +0 :               0.00080357662260
                3s
                   +0 :              -0.00008318356393
                2p
                   -1 :              -0.00043978250522
                   +0 :              -0.00004476046134
                   +1 :              -0.00040288388923
                3p
                   -1 :               0.00006978580229
                   +0 :               0.00020413556774
                   +1 :               0.00018588017375
                3d
                   -2 :               0.00001403728940
                   -1 :              -0.00003616579324
                   +0 :               0.00000895931261
                   +1 :              -0.00001794201680
                   +2 :              -0.00002469221235
              9 vec=   -12.967197      1.739405      4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00000027247550
                2s
                   +0 :               0.00034258831330
                3s
                   +0 :               0.00014402202639
                2p
                   -1 :               0.00000923721962
                   +0 :               0.00001491512617
                   +1 :              -0.00017089573225
                3p
                   -1 :               0.00002435697789
                   +0 :               0.00007749027698
                   +1 :              -0.00011823037661
                3d
                   -2 :               0.00000099915240
                   -1 :               0.00000861443669
                   +0 :               0.00001424893647
                   +1 :              -0.00000334335227
                   +2 :               0.00002870483765
             10 vec=   -12.967197     -7.244353      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00001392063370
                2s
                   +0 :               0.00004144364085
                3s
                   +0 :               0.00009085943921
                2p
                   -1 :              -0.00008948934868
                   +0 :              -0.00005734912260
                   +1 :              -0.00018496751224
                3p
                   -1 :              -0.00000064840547
                   +0 :               0.00010062306806
                   +1 :               0.00007843345519
                3d
                   -2 :               0.00001282359820
                   -1 :              -0.00002634469567
                   +0 :               0.00001343794380
                   +1 :              -0.00002868050962
                   +2 :              -0.00000276698199
             11 vec=    10.373291    -11.736232      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000006130571
                2s
                   +0 :               0.00006717568118
                3s
                   +0 :               0.00004445354919
                2p
                   -1 :               0.00018511129875
                   +0 :              -0.00004420050099
                   +1 :              -0.00002559523712
                3p
                   -1 :              -0.00024228252568
                   +0 :              -0.00003725642333
                   +1 :               0.00011566060849
                3d
                   -2 :              -0.00002126446951
                   -1 :               0.00000154370270
                   +0 :              -0.00001267028504
                   +1 :              -0.00000413634074
                   +2 :              -0.00001551262208
             12 vec=    -5.187034     15.215042      4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00002140546212
                2s
                   +0 :               0.00017322183077
                3s
                   +0 :              -0.00003516780300
                2p
                   -1 :               0.00008712409667
                   +0 :              -0.00003531478587
                   +1 :               0.00004281480745
                3p
                   -1 :               0.00001020119285
                   +0 :              -0.00001207994616
                   +1 :              -0.00003880607387
                3d
                   -2 :              -0.00000740287916
                   -1 :              -0.00000371497361
                   +0 :              -0.00000548548915
                   +1 :              -0.00000181811639
                   +2 :              -0.00000318862093
             13 vec=     2.593128    -16.228111      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00000522731081
                2s
                   +0 :               0.00006614752005
                3s
                   +0 :              -0.00000961098349
                2p
                   -1 :              -0.00001978350058
                   +0 :               0.00002542488879
                   +1 :              -0.00001529939635
                3p
                   -1 :              -0.00002631069387
                   +0 :              -0.00002187523433
                   +1 :               0.00000603058321
                3d
                   -2 :              -0.00000263371715
                   -1 :               0.00000260304981
                   +0 :              -0.00000252583595
                   +1 :               0.00000032275511
                   +2 :               0.00000007962348
             14 vec=   -12.967197     10.723163      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00002569778697
                2s
                   +0 :               0.00024741163417
                3s
                   +0 :              -0.00005054898006
                2p
                   -1 :               0.00002724925724
                   +0 :              -0.00000629689612
                   +1 :              -0.00012436602813
                3p
                   -1 :               0.00000610252501
                   +0 :               0.00001218864325
                   +1 :               0.00005607233740
                3d
                   -2 :              -0.00000591939086
                   -1 :              -0.00000037011630
                   +0 :               0.00000359606772
                   +1 :               0.00000077376277
                   +2 :               0.00000172407363
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 15)  npairs=  14
              1 vec=    -2.803193      1.376461      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00340852859612
                2s
                   +0 :               0.05239288292921
                3s
                   +0 :              -0.00572966120951
                2p
                   -1 :               0.00712377306323
                   +0 :               0.01818608159166
                   +1 :              -0.01947477315141
                3p
                   -1 :              -0.00001386421960
                   +0 :              -0.00023288211543
                   +1 :               0.00265511118627
                3d
                   -2 :              -0.00003954831110
                   -1 :               0.00072620705218
                   +0 :               0.00041770458136
                   +1 :              -0.00217317770483
                   +2 :               0.00051797286716
              2 vec=     4.976970     -3.115418      4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00246864572832
                2s
                   +0 :               0.01851737675128
                3s
                   +0 :              -0.00792493580236
                2p
                   -1 :              -0.00911608878088
                   +0 :               0.00655625176298
                   +1 :               0.01499064252643
                3p
                   -1 :               0.00608546076442
                   +0 :              -0.00511894396266
                   +1 :              -0.00952574814766
                3d
                   -2 :               0.00066705347750
                   -1 :               0.00022974250456
                   +0 :               0.00032075349449
                   +1 :              -0.00044152845762
                   +2 :              -0.00010499960100
              3 vec=     4.976970      5.868340      4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00012382102662
                2s
                   +0 :               0.00145870609783
                3s
                   +0 :               0.00012699538732
                2p
                   -1 :               0.00456297116940
                   +0 :              -0.00282639288723
                   +1 :               0.00127154173406
                3p
                   -1 :              -0.00128340383720
                   +0 :               0.00108780815439
                   +1 :               0.00014187256588
                3d
                   -2 :               0.00019896130057
                   -1 :               0.00000544950079
                   +0 :              -0.00004554878820
                   +1 :              -0.00000620223106
                   +2 :              -0.00010799449020
              4 vec=    -2.803193     -7.607297      4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00011638524291
                2s
                   +0 :               0.00104403308110
                3s
                   +0 :              -0.00005116978604
                2p
                   -1 :              -0.00168093510604
                   +0 :              -0.00117300074028
                   +1 :              -0.00091841296002
                3p
                   -1 :              -0.00048620127247
                   +0 :               0.00042744386545
                   +1 :              -0.00009583550552
                3d
                   -2 :               0.00007873661214
                   -1 :              -0.00008270205990
                   +0 :              -0.00007571719039
                   +1 :               0.00004467567943
                   +2 :              -0.00019549085106
              5 vec=    -2.803193     10.360219      4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00003643489216
                2s
                   +0 :               0.00069562489401
                3s
                   +0 :               0.00003552426025
                2p
                   -1 :               0.00038904890683
                   +0 :               0.00018197151061
                   +1 :              -0.00041010048454
                3p
                   -1 :              -0.00002957464330
                   +0 :              -0.00004841971687
                   +1 :               0.00025975008330
                3d
                   -2 :               0.00000332216365
                   -1 :               0.00003166439497
                   +0 :               0.00003736888902
                   +1 :              -0.00002901615087
                   +2 :               0.00002171473340
              6 vec=   -10.583355     -3.115418      4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00022186227259
                2s
                   +0 :               0.00159290502828
                3s
                   +0 :              -0.00056901014366
                2p
                   -1 :              -0.00062947013704
                   +0 :              -0.00044576671520
                   +1 :              -0.00179187725064
                3p
                   -1 :               0.00041033575159
                   +0 :               0.00080343899476
                   +1 :               0.00092009820699
                3d
                   -2 :              -0.00001961074985
                   -1 :              -0.00003450084116
                   +0 :              -0.00000641466694
                   +1 :              -0.00011887438963
                   +2 :              -0.00003822978583
              7 vec=   -10.583355      5.868340      4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00001313683427
                2s
                   +0 :               0.00029796083379
                3s
                   +0 :               0.00004132775700
                2p
                   -1 :              -0.00005228685613
                   +0 :               0.00022777609073
                   +1 :               0.00023373748043
                3p
                   -1 :               0.00012955722080
                   +0 :              -0.00015420224334
                   +1 :              -0.00032013049756
                3d
                   -2 :               0.00000889424656
                   -1 :              -0.00003538616212
                   +0 :              -0.00000928773356
                   +1 :              -0.00000918076099
                   +2 :               0.00000227123843
              8 vec=    12.757133      1.376461      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00001275496238
                2s
                   +0 :               0.00030980438862
                3s
                   +0 :               0.00005576243570
                2p
                   -1 :              -0.00021292050093
                   +0 :               0.00013394879552
                   +1 :               0.00023381273500
                3p
                   -1 :               0.00020006512179
                   +0 :              -0.00015545983895
                   +1 :               0.00015145525336
                3d
                   -2 :               0.00001094298753
                   -1 :               0.00000511123948
                   +0 :              -0.00003577654848
                   +1 :              -0.00001474722392
                   +2 :               0.00003354934280
              9 vec=     4.976970    -12.099176      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00003518007961
                2s
                   +0 :               0.00040081451572
                3s
                   +0 :              -0.00003957680929
                2p
                   -1 :              -0.00046323219808
                   +0 :              -0.00027327045705
                   +1 :              -0.00004395933665
                3p
                   -1 :               0.00014056448040
                   +0 :               0.00011787577135
                   +1 :               0.00009383456724
                3d
                   -2 :               0.00000668686462
                   -1 :              -0.00000345715456
                   +0 :              -0.00002275887880
                   +1 :               0.00000160926501
                   +2 :               0.00000118916924
             10 vec=    12.757133     -7.607297      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00000007259002
                2s
                   +0 :               0.00000430550188
                3s
                   +0 :               0.00003023389858
                2p
                   -1 :               0.00004180854061
                   +0 :              -0.00000420997510
                   +1 :               0.00006067175195
                3p
                   -1 :              -0.00006766757678
                   +0 :              -0.00006513201506
                   +1 :              -0.00000043554264
                3d
                   -2 :              -0.00001781573468
                   -1 :               0.00000697970719
                   +0 :              -0.00001368524007
                   +1 :              -0.00000589594760
                   +2 :              -0.00000117578636
             11 vec=     4.976970     14.852098      4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00001164505487
                2s
                   +0 :               0.00011079342172
                3s
                   +0 :               0.00002790490787
                2p
                   -1 :               0.00002361913116
                   +0 :              -0.00005463592107
                   +1 :              -0.00004259469130
                3p
                   -1 :               0.00008232836670
                   +0 :               0.00006766491444
                   +1 :               0.00003305867822
                3d
                   -2 :              -0.00000316553119
                   -1 :               0.00002149274211
                   +0 :               0.00000407441199
                   +1 :              -0.00000316156698
                   +2 :              -0.00000796061204
             12 vec=   -10.583355    -12.099176      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00000795488761
                2s
                   +0 :              -0.00000369222056
                3s
                   +0 :               0.00005195943272
                2p
                   -1 :              -0.00009664335261
                   +0 :               0.00003332460667
                   +1 :              -0.00009432332356
                3p
                   -1 :              -0.00002625270501
                   +0 :               0.00001452361341
                   +1 :              -0.00002105628491
                3d
                   -2 :               0.00000435808135
                   -1 :              -0.00000020379264
                   +0 :              -0.00000909981620
                   +1 :              -0.00000467804564
                   +2 :              -0.00000386174047
             13 vec=    12.757133     10.360219      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000686294592
                2s
                   +0 :               0.00003069296311
                3s
                   +0 :              -0.00002479426096
                2p
                   -1 :               0.00003480375475
                   +0 :              -0.00009877755646
                   +1 :               0.00000337535931
                3p
                   -1 :              -0.00004445793422
                   +0 :               0.00006236098665
                   +1 :               0.00001706750430
                3d
                   -2 :              -0.00000083469271
                   -1 :               0.00000367082522
                   +0 :               0.00000695662088
                   +1 :               0.00000105597730
                   +2 :               0.00000208442842
             14 vec=    -2.803193    -16.591055      4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000494563095
                2s
                   +0 :               0.00002164166430
                3s
                   +0 :              -0.00001400456131
                2p
                   -1 :               0.00000356285550
                   +0 :              -0.00002998300255
                   +1 :               0.00003298348459
                3p
                   -1 :              -0.00002863079984
                   +0 :               0.00001163350790
                   +1 :              -0.00000857552772
                3d
                   -2 :              -0.00000115069211
                   -1 :              -0.00000169182267
                   +0 :               0.00000094515305
                   +1 :               0.00000126590253
                   +2 :               0.00000173395629
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 16)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00028868400733
                2s
                   +0 :              -0.00291084099735
                3s
                   +0 :               0.00044082997109
                2p
                   -1 :               0.00028527456844
                   +0 :               0.00190510051514
                   +1 :              -0.00196124087419
                3p
                   -1 :              -0.00007559481045
                   +0 :              -0.00027936412444
                   +1 :              -0.00050833113543
                3d
                   -2 :               0.00003475461773
                   -1 :              -0.00001071754936
                   +0 :               0.00001253018974
                   +1 :               0.00020342849720
                   +2 :              -0.00011718839788
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00081506607180
                2s
                   +0 :              -0.00824780051772
                3s
                   +0 :               0.00126304167121
                2p
                   -1 :              -0.00545614052756
                   +0 :               0.00886203373547
                   +1 :               0.00087349345664
                3p
                   -1 :               0.00109468665588
                   +0 :              -0.00168705606641
                   +1 :              -0.00047652903825
                3d
                   -2 :               0.00004814437711
                   -1 :               0.00036812160327
                   +0 :              -0.00024202793415
                   +1 :               0.00001412310814
                   +2 :               0.00022464521424
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00018194530485
                2s
                   +0 :              -0.00145470609288
                3s
                   +0 :              -0.00002057731098
                2p
                   -1 :               0.00200010553898
                   +0 :               0.00044964942550
                   +1 :               0.00009122615102
                3p
                   -1 :              -0.00046994296801
                   +0 :               0.00100508307685
                   +1 :               0.00106930589648
                3d
                   -2 :              -0.00005949049279
                   -1 :              -0.00014225927408
                   +0 :              -0.00005881574678
                   +1 :              -0.00018234913060
                   +2 :               0.00001777619840
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00003502651380
                2s
                   +0 :              -0.00047093022376
                3s
                   +0 :               0.00006780305737
                2p
                   -1 :               0.00039615461557
                   +0 :              -0.00032799243986
                   +1 :              -0.00054893081019
                3p
                   -1 :              -0.00051750297564
                   +0 :               0.00013915004311
                   +1 :               0.00030238688974
                3d
                   -2 :              -0.00001362163243
                   -1 :               0.00002334728179
                   +0 :              -0.00003190812415
                   +1 :              -0.00002937111402
                   +2 :               0.00003414525156
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001065506171
                2s
                   +0 :              -0.00025395494311
                3s
                   +0 :              -0.00002053363741
                2p
                   -1 :               0.00028656905158
                   +0 :              -0.00014284346775
                   +1 :              -0.00002638057268
                3p
                   -1 :              -0.00009560839929
                   +0 :               0.00026003258709
                   +1 :               0.00002142204201
                3d
                   -2 :              -0.00000109767832
                   -1 :              -0.00000087500814
                   +0 :              -0.00003695904048
                   +1 :              -0.00002048307736
                   +2 :               0.00000303117893
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001524426450
                2s
                   +0 :              -0.00037156249780
                3s
                   +0 :               0.00005929431579
                2p
                   -1 :              -0.00000806381906
                   +0 :              -0.00041983180349
                   +1 :               0.00048386839867
                3p
                   -1 :              -0.00008321716488
                   +0 :               0.00017626370666
                   +1 :              -0.00015321039196
                3d
                   -2 :               0.00002582525347
                   -1 :               0.00000050214112
                   +0 :               0.00003673988865
                   +1 :               0.00001676911574
                   +2 :               0.00000721740276
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00002240632206
                2s
                   +0 :               0.00008132136573
                3s
                   +0 :              -0.00011022328053
                2p
                   -1 :              -0.00006796111195
                   +0 :              -0.00003789501475
                   +1 :               0.00019050986184
                3p
                   -1 :               0.00015526484380
                   +0 :               0.00005548590642
                   +1 :              -0.00019903265057
                3d
                   -2 :               0.00001770437219
                   -1 :              -0.00001529375691
                   +0 :               0.00002274717582
                   +1 :               0.00000436663562
                   +2 :               0.00000919124951
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001445544186
                2s
                   +0 :               0.00005286036038
                3s
                   +0 :              -0.00003731237796
                2p
                   -1 :              -0.00005261911325
                   +0 :               0.00012806787647
                   +1 :              -0.00000303321369
                3p
                   -1 :               0.00007466075940
                   +0 :              -0.00007927800851
                   +1 :               0.00001094849693
                3d
                   -2 :              -0.00000156131626
                   -1 :               0.00000558220575
                   +0 :              -0.00000193683034
                   +1 :              -0.00000737554665
                   +2 :              -0.00000336546272
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002033668873
                2s
                   +0 :              -0.00020889858855
                3s
                   +0 :               0.00002721024827
                2p
                   -1 :              -0.00000879956881
                   +0 :              -0.00000208990630
                   +1 :              -0.00015807318114
                3p
                   -1 :              -0.00002965020928
                   +0 :               0.00001750573355
                   +1 :               0.00008451241973
                3d
                   -2 :              -0.00000036831598
                   -1 :              -0.00000183901173
                   +0 :               0.00000378630886
                   +1 :              -0.00000619931676
                   +2 :               0.00000265814112
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000029576047
                2s
                   +0 :              -0.00002869298154
                3s
                   +0 :              -0.00003694813037
                2p
                   -1 :              -0.00013767237648
                   +0 :              -0.00008630843622
                   +1 :               0.00002479077723
                3p
                   -1 :               0.00005576704179
                   +0 :               0.00006006072779
                   +1 :              -0.00002921666160
                3d
                   -2 :              -0.00000074566374
                   -1 :              -0.00000082464785
                   +0 :              -0.00001056170212
                   +1 :               0.00000411754756
                   +2 :               0.00000262468158
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000141174755
                2s
                   +0 :               0.00004120575697
                3s
                   +0 :               0.00003587922329
                2p
                   -1 :               0.00006654302620
                   +0 :               0.00015375623885
                   +1 :               0.00005501319678
                3p
                   -1 :              -0.00010903290362
                   +0 :              -0.00016333592454
                   +1 :               0.00000352257857
                3d
                   -2 :               0.00002434888146
                   -1 :               0.00000600300476
                   +0 :               0.00001117265741
                   +1 :               0.00002965648142
                   +2 :              -0.00000523340425
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000881535456
                2s
                   +0 :               0.00010950514402
                3s
                   +0 :               0.00000485519541
                2p
                   -1 :               0.00010736736150
                   +0 :              -0.00003488316419
                   +1 :               0.00019455887636
                3p
                   -1 :              -0.00006064456418
                   +0 :              -0.00000071956232
                   +1 :              -0.00014570164649
                3d
                   -2 :               0.00000488136111
                   -1 :               0.00000194774207
                   +0 :               0.00000249846216
                   +1 :               0.00000297828998
                   +2 :               0.00000542398619
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000298899550
                2s
                   +0 :               0.00011136993827
                3s
                   +0 :               0.00003935264505
                2p
                   -1 :               0.00005252941126
                   +0 :               0.00012066465121
                   +1 :              -0.00014479336179
                3p
                   -1 :              -0.00005768253826
                   +0 :               0.00005172286193
                   +1 :               0.00007836961861
                3d
                   -2 :              -0.00000138787009
                   -1 :              -0.00000424416714
                   +0 :               0.00000268947297
                   +1 :              -0.00000151220328
                   +2 :              -0.00000272406412
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00005053003942
                2s
                   +0 :               0.00039566563955
                3s
                   +0 :              -0.00012824816708
                2p
                   -1 :              -0.00011501527693
                   +0 :               0.00020700035003
                   +1 :              -0.00006134823326
                3p
                   -1 :               0.00005481380185
                   +0 :              -0.00009225161430
                   +1 :               0.00008819437047
                3d
                   -2 :               0.00000393759385
                   -1 :              -0.00000356796293
                   +0 :              -0.00001015890179
                   +1 :               0.00000905717194
                   +2 :               0.00000328824560
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000760712810
                2s
                   +0 :               0.00005446590926
                3s
                   +0 :              -0.00000740166302
                2p
                   -1 :               0.00010784083584
                   +0 :               0.00004546101111
                   +1 :              -0.00005106462898
                3p
                   -1 :              -0.00004963225473
                   +0 :               0.00005365877484
                   +1 :               0.00001354758949
                3d
                   -2 :               0.00000605136548
                   -1 :              -0.00000134840732
                   +0 :               0.00000799003763
                   +1 :              -0.00000024554373
                   +2 :               0.00000085715266
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 17)  npairs=  14
              1 vec=    -0.419351      0.000150     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00054346018450
                2s
                   +0 :              -0.00200400467484
                3s
                   +0 :               0.00179575256613
                2p
                   -1 :               0.00239784374229
                   +0 :               0.00440146776784
                   +1 :               0.00085118005282
                3p
                   -1 :              -0.00114774893073
                   +0 :              -0.00387876945696
                   +1 :              -0.00028980682078
                3d
                   -2 :              -0.00006825405188
                   -1 :              -0.00014314332084
                   +0 :               0.00074801504704
                   +1 :              -0.00005174552340
                   +2 :              -0.00006350705293
              2 vec=     7.360812     -4.491729     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00022513535428
                2s
                   +0 :               0.00082775985796
                3s
                   +0 :              -0.00082937646922
                2p
                   -1 :               0.00032500717751
                   +0 :              -0.00133010169824
                   +1 :              -0.00156030401633
                3p
                   -1 :               0.00005938841541
                   +0 :               0.00102385005528
                   +1 :               0.00094364327002
                3d
                   -2 :              -0.00003704228372
                   -1 :               0.00004150566709
                   +0 :              -0.00005347461813
                   +1 :              -0.00002111234459
                   +2 :               0.00002679050265
              3 vec=     7.360812      4.492029     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00002626653428
                2s
                   +0 :              -0.00021642157640
                3s
                   +0 :              -0.00012004362874
                2p
                   -1 :              -0.00010649964916
                   +0 :               0.00068147162632
                   +1 :              -0.00076602552873
                3p
                   -1 :              -0.00005109432803
                   +0 :              -0.00044240685509
                   +1 :               0.00039589050042
                3d
                   -2 :              -0.00000008386524
                   -1 :               0.00004175074719
                   +0 :               0.00004248617599
                   +1 :              -0.00003143126447
                   +2 :               0.00005105599778
              4 vec=    -0.419351     -8.983608     -8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00004953426119
                2s
                   +0 :              -0.00028918215877
                3s
                   +0 :               0.00024939966376
                2p
                   -1 :               0.00083473919015
                   +0 :              -0.00006971311369
                   +1 :               0.00026987510808
                3p
                   -1 :              -0.00041824336686
                   +0 :              -0.00007003479570
                   +1 :              -0.00024944919191
                3d
                   -2 :              -0.00001580661611
                   -1 :               0.00001876253792
                   +0 :              -0.00000656723760
                   +1 :              -0.00000074500553
                   +2 :              -0.00002696347482
              5 vec=    -0.419351      8.983908     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00000844378327
                2s
                   +0 :              -0.00068264551857
                3s
                   +0 :              -0.00007673037153
                2p
                   -1 :              -0.00029619361310
                   +0 :              -0.00049089812789
                   +1 :               0.00027077682081
                3p
                   -1 :              -0.00020683769940
                   +0 :               0.00009987161775
                   +1 :              -0.00008126204786
                3d
                   -2 :               0.00000432847093
                   -1 :               0.00000722134987
                   +0 :               0.00003882260569
                   +1 :               0.00001293439951
                   +2 :               0.00002036984655
              6 vec=    -8.199513     -4.491729     -8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00003534021063
                2s
                   +0 :              -0.00010708681361
                3s
                   +0 :              -0.00005924278278
                2p
                   -1 :               0.00028830219357
                   +0 :               0.00041185451550
                   +1 :               0.00072034518909
                3p
                   -1 :              -0.00019178675782
                   +0 :              -0.00060460762586
                   +1 :              -0.00028063049921
                3d
                   -2 :              -0.00000003236250
                   -1 :               0.00000555499864
                   +0 :               0.00002281662012
                   +1 :               0.00000675663995
                   +2 :              -0.00002754851744
              7 vec=    -8.199513      4.492029     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00000681737171
                2s
                   +0 :               0.00012430313636
                3s
                   +0 :               0.00005322290881
                2p
                   -1 :              -0.00051025375491
                   +0 :              -0.00051250516009
                   +1 :               0.00054456768052
                3p
                   -1 :               0.00041266676965
                   +0 :               0.00038430286846
                   +1 :              -0.00023191038297
                3d
                   -2 :              -0.00002935782364
                   -1 :              -0.00000383980337
                   +0 :              -0.00005057558346
                   +1 :              -0.00000088741496
                   +2 :               0.00001100363320
              8 vec=    -0.419351      0.000150     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001760019785
                2s
                   +0 :              -0.00016751913702
                3s
                   +0 :               0.00005586544104
                2p
                   -1 :              -0.00010376036941
                   +0 :              -0.00005433838178
                   +1 :              -0.00005546618241
                3p
                   -1 :               0.00012036948243
                   +0 :               0.00003669723976
                   +1 :               0.00001253590063
                3d
                   -2 :              -0.00000402051802
                   -1 :               0.00000759043325
                   +0 :               0.00000869286643
                   +1 :              -0.00000193575807
                   +2 :              -0.00000437538172
              9 vec=    15.140975      0.000150     -8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00000510618080
                2s
                   +0 :              -0.00010820292295
                3s
                   +0 :              -0.00003980054604
                2p
                   -1 :               0.00007210640267
                   +0 :               0.00010920501925
                   +1 :              -0.00012405498913
                3p
                   -1 :              -0.00005487645001
                   +0 :              -0.00006632245998
                   +1 :               0.00002973428126
                3d
                   -2 :              -0.00000239864868
                   -1 :               0.00000706505997
                   +0 :               0.00000816374795
                   +1 :              -0.00000527729181
                   +2 :              -0.00000475861129
             10 vec=     7.360812    -13.475487     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00001114684515
                2s
                   +0 :              -0.00011541300551
                3s
                   +0 :               0.00001812083561
                2p
                   -1 :              -0.00001676377954
                   +0 :               0.00004001408009
                   +1 :              -0.00008361057825
                3p
                   -1 :               0.00005894623150
                   +0 :               0.00000193466193
                   +1 :               0.00004503775062
                3d
                   -2 :               0.00000290250112
                   -1 :              -0.00000494007971
                   +0 :               0.00000703412730
                   +1 :               0.00000476923165
                   +2 :               0.00000401584031
             11 vec=     7.360812     13.475787     -8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00002956146346
                2s
                   +0 :              -0.00028701611740
                3s
                   +0 :               0.00004570134883
                2p
                   -1 :              -0.00018689087779
                   +0 :               0.00002257885840
                   +1 :              -0.00010975448404
                3p
                   -1 :               0.00003646383368
                   +0 :               0.00003860122488
                   +1 :               0.00006471498450
                3d
                   -2 :               0.00000171512691
                   -1 :               0.00000570002833
                   +0 :              -0.00000160034268
                   +1 :              -0.00000119478955
                   +2 :               0.00000759533690
             12 vec=    -8.199513    -13.475487     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000212198041
                2s
                   +0 :               0.00001045183219
                3s
                   +0 :               0.00001494330978
                2p
                   -1 :              -0.00004154084759
                   +0 :               0.00001253612091
                   +1 :              -0.00006627628382
                3p
                   -1 :               0.00003603010786
                   +0 :               0.00001130285441
                   +1 :               0.00006547330337
                3d
                   -2 :               0.00000064650852
                   -1 :               0.00000115610997
                   +0 :              -0.00000186955171
                   +1 :               0.00000205898976
                   +2 :              -0.00000147615924
             13 vec=    -8.199513     13.475787     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000701219184
                2s
                   +0 :               0.00003212854582
                3s
                   +0 :              -0.00003423092677
                2p
                   -1 :              -0.00000095191224
                   +0 :               0.00001914511203
                   +1 :               0.00005266960755
                3p
                   -1 :              -0.00004026106164
                   +0 :               0.00000789351254
                   +1 :              -0.00001974213846
                3d
                   -2 :              -0.00000046743551
                   -1 :               0.00000809311941
                   +0 :              -0.00000239508660
                   +1 :               0.00000210102888
                   +2 :               0.00000556614341
             14 vec=   -15.979676      0.000150     -8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00002061692816
                2s
                   +0 :               0.00017795554535
                3s
                   +0 :              -0.00004088893066
                2p
                   -1 :               0.00000509512803
                   +0 :               0.00003870145458
                   +1 :              -0.00008400018996
                3p
                   -1 :              -0.00000935880794
                   +0 :              -0.00003203617285
                   +1 :               0.00004556371905
                3d
                   -2 :              -0.00000261366553
                   -1 :               0.00000138449398
                   +0 :              -0.00000081955905
                   +1 :               0.00000088884759
                   +2 :               0.00000399847492
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 18)  npairs=  15
              1 vec=     4.976970      0.363094     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00045378717397
                2s
                   +0 :              -0.00393335249043
                3s
                   +0 :               0.00047411930852
                2p
                   -1 :               0.00115225384579
                   +0 :               0.00420204406256
                   +1 :              -0.00159631534001
                3p
                   -1 :               0.00110013705224
                   +0 :              -0.00057176555230
                   +1 :              -0.00068131375316
                3d
                   -2 :               0.00020510009863
                   -1 :              -0.00032360408876
                   +0 :              -0.00015696952540
                   +1 :               0.00026500914144
                   +2 :              -0.00008866935226
              2 vec=    -2.803193     -4.128785     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00029622779257
                2s
                   +0 :              -0.00346614546184
                3s
                   +0 :               0.00016602372150
                2p
                   -1 :              -0.00124082541975
                   +0 :               0.00337583862080
                   +1 :               0.00397046491523
                3p
                   -1 :               0.00117443379734
                   +0 :              -0.00021035661693
                   +1 :              -0.00072826376599
                3d
                   -2 :               0.00002394115614
                   -1 :              -0.00010438454769
                   +0 :              -0.00006764288879
                   +1 :              -0.00007792311713
                   +2 :              -0.00012838183659
              3 vec=    -2.803193      4.854973     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00024003095226
                2s
                   +0 :              -0.00238663956469
                3s
                   +0 :              -0.00004625937396
                2p
                   -1 :              -0.00228895965330
                   +0 :               0.00090779381274
                   +1 :              -0.00075442932247
                3p
                   -1 :               0.00006053990825
                   +0 :               0.00120239428082
                   +1 :               0.00060892620978
                3d
                   -2 :              -0.00005179334140
                   -1 :               0.00015573643419
                   +0 :              -0.00010746274977
                   +1 :               0.00013022587326
                   +2 :               0.00004820422301
              4 vec=     4.976970     -8.620664     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00012502707118
                2s
                   +0 :              -0.00109742384227
                3s
                   +0 :               0.00046909752429
                2p
                   -1 :               0.00054587296750
                   +0 :              -0.00013615496814
                   +1 :              -0.00032184564910
                3p
                   -1 :              -0.00025983960468
                   +0 :              -0.00004588509047
                   +1 :               0.00048858717614
                3d
                   -2 :              -0.00005214994512
                   -1 :               0.00004194173952
                   +0 :              -0.00000768455032
                   +1 :              -0.00006421413589
                   +2 :               0.00001970287024
              5 vec=     4.976970      9.346852     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00008444242492
                2s
                   +0 :              -0.00099117558547
                3s
                   +0 :               0.00013351115246
                2p
                   -1 :              -0.00029995443249
                   +0 :               0.00003986147063
                   +1 :              -0.00028871270747
                3p
                   -1 :              -0.00007996730754
                   +0 :              -0.00008461691583
                   +1 :              -0.00003369322661
                3d
                   -2 :              -0.00002332597974
                   -1 :              -0.00002323789015
                   +0 :               0.00001283387210
                   +1 :               0.00001570102015
                   +2 :               0.00000541207296
              6 vec=   -10.583355      0.363094     -8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00004661877162
                2s
                   +0 :               0.00032688873305
                3s
                   +0 :              -0.00011129598073
                2p
                   -1 :              -0.00022065473359
                   +0 :              -0.00030703872709
                   +1 :              -0.00006799211300
                3p
                   -1 :               0.00011968222553
                   +0 :               0.00022517222326
                   +1 :               0.00006761920023
                3d
                   -2 :              -0.00000308154807
                   -1 :               0.00000911156182
                   +0 :              -0.00004554541153
                   +1 :               0.00000646356101
                   +2 :               0.00001078624881
              7 vec=    12.757133     -4.128785     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00002667095430
                2s
                   +0 :               0.00010936170927
                3s
                   +0 :              -0.00014599186624
                2p
                   -1 :              -0.00017087863449
                   +0 :              -0.00011571937806
                   +1 :               0.00016052979051
                3p
                   -1 :               0.00013119504100
                   +0 :               0.00013935747040
                   +1 :              -0.00021532876044
                3d
                   -2 :              -0.00001002035868
                   -1 :              -0.00000267140843
                   +0 :              -0.00000441364276
                   +1 :               0.00001679636291
                   +2 :              -0.00000686708062
              8 vec=    -2.803193    -13.112543     -8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00000001715229
                2s
                   +0 :              -0.00001299264288
                3s
                   +0 :               0.00001562181916
                2p
                   -1 :               0.00018904276793
                   +0 :               0.00008794901108
                   +1 :               0.00012765125070
                3p
                   -1 :              -0.00010327381667
                   +0 :              -0.00007400683959
                   +1 :              -0.00003991994915
                3d
                   -2 :              -0.00000191446281
                   -1 :               0.00000062651373
                   +0 :               0.00001032888778
                   +1 :              -0.00000116659445
                   +2 :              -0.00000128257392
              9 vec=    12.757133      4.854973     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00001945135506
                2s
                   +0 :              -0.00020940763668
                3s
                   +0 :               0.00002519370677
                2p
                   -1 :              -0.00017630597367
                   +0 :               0.00003366376073
                   +1 :              -0.00001290201194
                3p
                   -1 :               0.00015756305771
                   +0 :              -0.00000258757685
                   +1 :              -0.00002431801962
                3d
                   -2 :               0.00000491471921
                   -1 :              -0.00000017710649
                   +0 :              -0.00000134895942
                   +1 :               0.00000461168986
                   +2 :              -0.00000411522766
             10 vec=   -10.583355     -8.620664     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00001972872922
                2s
                   +0 :               0.00017226877658
                3s
                   +0 :              -0.00006126662696
                2p
                   -1 :              -0.00002214160463
                   +0 :               0.00014072020292
                   +1 :               0.00006279673059
                3p
                   -1 :               0.00006612370822
                   +0 :              -0.00014049508304
                   +1 :              -0.00005330151492
                3d
                   -2 :              -0.00000464875348
                   -1 :               0.00001186048020
                   +0 :               0.00000190193693
                   +1 :               0.00001045376370
                   +2 :               0.00000921022705
             11 vec=    -2.803193     13.838731     -8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00000291761385
                2s
                   +0 :              -0.00001136090947
                3s
                   +0 :              -0.00002724749218
                2p
                   -1 :              -0.00007551787222
                   +0 :              -0.00013027811201
                   +1 :              -0.00000052142757
                3p
                   -1 :              -0.00000578545381
                   +0 :               0.00011858535441
                   +1 :               0.00004549304101
                3d
                   -2 :               0.00000505236961
                   -1 :               0.00000508313662
                   +0 :              -0.00000609498638
                   +1 :              -0.00000522764791
                   +2 :              -0.00000078450864
             12 vec=   -10.583355      9.346852     -8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000936743290
                2s
                   +0 :               0.00010114533339
                3s
                   +0 :              -0.00003372708245
                2p
                   -1 :              -0.00002380836424
                   +0 :              -0.00007326582556
                   +1 :               0.00004982652695
                3p
                   -1 :               0.00001987069206
                   +0 :               0.00006043506702
                   +1 :              -0.00002026659909
                3d
                   -2 :               0.00000099578157
                   -1 :              -0.00000124860341
                   +0 :               0.00000135560128
                   +1 :              -0.00000415816728
                   +2 :               0.00000468814980
             13 vec=     4.976970      0.363094     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00004648838242
                2s
                   +0 :               0.00035939240085
                3s
                   +0 :              -0.00010572064430
                2p
                   -1 :               0.00002190666948
                   +0 :               0.00026146782772
                   +1 :               0.00019286745540
                3p
                   -1 :               0.00002628443527
                   +0 :              -0.00013509988947
                   +1 :              -0.00014192087595
                3d
                   -2 :               0.00000419992051
                   -1 :               0.00000695131980
                   +0 :              -0.00000063570624
                   +1 :              -0.00000531107649
                   +2 :              -0.00000011175181
             14 vec=    -2.803193     -4.128785     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00001545838382
                2s
                   +0 :               0.00010599981265
                3s
                   +0 :              -0.00004121174256
                2p
                   -1 :              -0.00003476508709
                   +0 :               0.00019088778659
                   +1 :               0.00003810154819
                3p
                   -1 :               0.00003520898630
                   +0 :              -0.00011452291575
                   +1 :              -0.00003275873269
                3d
                   -2 :              -0.00000335618593
                   -1 :               0.00000821845822
                   +0 :              -0.00000510947398
                   +1 :               0.00000103709989
                   +2 :              -0.00000022153280
             15 vec=    -2.803193      4.854973     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001255368108
                2s
                   +0 :               0.00014883017739
                3s
                   +0 :              -0.00000296921601
                2p
                   -1 :              -0.00005992071114
                   +0 :               0.00021007670375
                   +1 :               0.00000458493597
                3p
                   -1 :              -0.00002375066075
                   +0 :              -0.00004375468729
                   +1 :              -0.00006775439700
                3d
                   -2 :               0.00000653771121
                   -1 :              -0.00000446956750
                   +0 :               0.00000156270146
                   +1 :              -0.00000851940543
                   +2 :               0.00000511042028
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 19)  npairs=  18
              1 vec=    -3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00004954643255
                2s
                   +0 :              -0.00000300827903
                3s
                   +0 :              -0.00014519513183
                2p
                   -1 :               0.00017068634533
                   +0 :               0.00020733103054
                   +1 :              -0.00030318479221
                3p
                   -1 :              -0.00012813823214
                   +0 :              -0.00018737716062
                   +1 :               0.00031795960083
                3d
                   -2 :               0.00004569964587
                   -1 :               0.00003217822889
                   +0 :               0.00003045024761
                   +1 :              -0.00001812010134
                   +2 :               0.00001100979714
              2 vec=    -3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006933745254
                2s
                   +0 :              -0.00028294508015
                3s
                   +0 :               0.00019078773103
                2p
                   -1 :              -0.00045643209566
                   +0 :              -0.00016666138497
                   +1 :               0.00007404352255
                3p
                   -1 :               0.00027282453480
                   +0 :               0.00000204284470
                   +1 :              -0.00028994676960
                3d
                   -2 :              -0.00001846159954
                   -1 :              -0.00001498966716
                   +0 :              -0.00002035477670
                   +1 :              -0.00007186578010
                   +2 :               0.00001696401130
              3 vec=     4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00014753459390
                2s
                   +0 :              -0.00168493065675
                3s
                   +0 :               0.00023377598982
                2p
                   -1 :              -0.00001361169136
                   +0 :               0.00091172208615
                   +1 :              -0.00003350007698
                3p
                   -1 :               0.00022742076743
                   +0 :               0.00000840303066
                   +1 :              -0.00002497714126
                3d
                   -2 :              -0.00003065802840
                   -1 :              -0.00004107681000
                   +0 :              -0.00000451155644
                   +1 :              -0.00000743744022
                   +2 :               0.00001684752904
              4 vec=     4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00014694001700
                2s
                   +0 :               0.00168433321464
                3s
                   +0 :              -0.00021234007824
                2p
                   -1 :              -0.00008804412235
                   +0 :               0.00086821364309
                   +1 :              -0.00025893852393
                3p
                   -1 :               0.00007740108979
                   +0 :               0.00000647481966
                   +1 :               0.00030131198046
                3d
                   -2 :               0.00002891224078
                   -1 :               0.00001676755181
                   +0 :               0.00000075500941
                   +1 :               0.00003371972932
                   +2 :              -0.00001878725137
              5 vec=    -3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004594842147
                2s
                   +0 :              -0.00047970328019
                3s
                   +0 :               0.00009749652228
                2p
                   -1 :               0.00035014849258
                   +0 :               0.00025786922243
                   +1 :              -0.00032445160263
                3p
                   -1 :              -0.00002545705805
                   +0 :              -0.00001199587764
                   +1 :               0.00015126231862
                3d
                   -2 :               0.00000585414551
                   -1 :              -0.00002694933670
                   +0 :               0.00001298881115
                   +1 :               0.00000518428374
                   +2 :               0.00002006536248
              6 vec=    -3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004403704666
                2s
                   +0 :               0.00074190345210
                3s
                   +0 :              -0.00011019000673
                2p
                   -1 :              -0.00027344824491
                   +0 :               0.00070217113250
                   +1 :               0.00024269667748
                3p
                   -1 :              -0.00010116681867
                   +0 :              -0.00014623261165
                   +1 :              -0.00005386810548
                3d
                   -2 :              -0.00002380016822
                   -1 :              -0.00002826656895
                   +0 :               0.00001223494189
                   +1 :               0.00001400942731
                   +2 :              -0.00003852204097
              7 vec=     4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00015127038185
                2s
                   +0 :              -0.00212397082642
                3s
                   +0 :               0.00023289279381
                2p
                   -1 :              -0.00038497268436
                   +0 :               0.00136061668563
                   +1 :              -0.00084210079616
                3p
                   -1 :               0.00008270176265
                   +0 :              -0.00016949155297
                   +1 :               0.00004813791344
                3d
                   -2 :              -0.00004102102887
                   -1 :               0.00001503082949
                   +0 :              -0.00003698227886
                   +1 :               0.00006257692209
                   +2 :              -0.00004264648992
              8 vec=     4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00007310056441
                2s
                   +0 :               0.00076404224939
                3s
                   +0 :              -0.00015493173309
                2p
                   -1 :              -0.00014758078904
                   +0 :               0.00036263545811
                   +1 :               0.00054906537415
                3p
                   -1 :               0.00014331165739
                   +0 :              -0.00004974313257
                   +1 :              -0.00012914811640
                3d
                   -2 :               0.00001541597341
                   -1 :               0.00001692474672
                   +0 :              -0.00001630768029
                   +1 :               0.00002949327869
                   +2 :               0.00001806955662
              9 vec=   -10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001358166624
                2s
                   +0 :               0.00010479115950
                3s
                   +0 :              -0.00002724768816
                2p
                   -1 :               0.00020214119455
                   +0 :              -0.00005134593689
                   +1 :              -0.00003243484154
                3p
                   -1 :              -0.00016749136695
                   +0 :               0.00002674925263
                   +1 :               0.00009932834764
                3d
                   -2 :               0.00000326253518
                   -1 :               0.00001439700353
                   +0 :               0.00000032407349
                   +1 :              -0.00000709508774
                   +2 :              -0.00001335183254
             10 vec=   -10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00006466110627
                2s
                   +0 :              -0.00055827651924
                3s
                   +0 :               0.00006869987594
                2p
                   -1 :              -0.00015240557305
                   +0 :               0.00016348446386
                   +1 :              -0.00003368154633
                3p
                   -1 :              -0.00001512909781
                   +0 :              -0.00024318015105
                   +1 :               0.00004973230608
                3d
                   -2 :               0.00000862159418
                   -1 :              -0.00001504866262
                   +0 :              -0.00001996979108
                   +1 :               0.00001092714284
                   +2 :               0.00000414739571
             11 vec=    -3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001991810927
                2s
                   +0 :              -0.00017592165428
                3s
                   +0 :               0.00006434684896
                2p
                   -1 :              -0.00014126503413
                   +0 :               0.00003155900655
                   +1 :               0.00004131577226
                3p
                   -1 :              -0.00000291158798
                   +0 :              -0.00002808783219
                   +1 :               0.00001857242927
                3d
                   -2 :               0.00000144162710
                   -1 :              -0.00000421074465
                   +0 :               0.00000168338374
                   +1 :              -0.00000277697088
                   +2 :               0.00000001666305
             12 vec=    -3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002048898179
                2s
                   +0 :               0.00024451653936
                3s
                   +0 :              -0.00001916050267
                2p
                   -1 :               0.00009609564409
                   +0 :               0.00008051336232
                   +1 :               0.00008646685598
                3p
                   -1 :               0.00001808515085
                   +0 :              -0.00000846339565
                   +1 :              -0.00012141599640
                3d
                   -2 :              -0.00001046403787
                   -1 :               0.00000413678172
                   +0 :               0.00000197793780
                   +1 :              -0.00001054165942
                   +2 :              -0.00000661811708
             13 vec=   -10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000487556491
                2s
                   +0 :              -0.00002819348914
                3s
                   +0 :               0.00003099221450
                2p
                   -1 :              -0.00006798289143
                   +0 :               0.00005530402530
                   +1 :               0.00010653197546
                3p
                   -1 :               0.00005266768406
                   +0 :              -0.00006765215715
                   +1 :              -0.00003045434628
                3d
                   -2 :               0.00000023013864
                   -1 :              -0.00000257066962
                   +0 :               0.00000137594897
                   +1 :               0.00000450403490
                   +2 :              -0.00000561495917
             14 vec=   -10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002242583030
                2s
                   +0 :               0.00019367523719
                3s
                   +0 :              -0.00005905437079
                2p
                   -1 :              -0.00005572515601
                   +0 :               0.00008554819174
                   +1 :              -0.00017039897592
                3p
                   -1 :               0.00002916401429
                   +0 :              -0.00003188014744
                   +1 :               0.00007351417211
                3d
                   -2 :              -0.00000361381572
                   -1 :               0.00000068212697
                   +0 :               0.00000484953282
                   +1 :               0.00000363847386
                   +2 :               0.00000313313601
             15 vec=     4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000943646575
                2s
                   +0 :              -0.00008848086239
                3s
                   +0 :               0.00003968537916
                2p
                   -1 :               0.00006960013811
                   +0 :               0.00003017068547
                   +1 :               0.00005697012794
                3p
                   -1 :              -0.00006164309583
                   +0 :              -0.00002240747485
                   +1 :              -0.00006101194504
                3d
                   -2 :               0.00000065310043
                   -1 :               0.00001104656135
                   +0 :              -0.00000430176902
                   +1 :               0.00000189630136
                   +2 :              -0.00001076784395
             16 vec=     4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002982167885
                2s
                   +0 :               0.00027539550612
                3s
                   +0 :              -0.00008235682676
                2p
                   -1 :              -0.00016637128190
                   +0 :               0.00010803775205
                   +1 :               0.00012962033215
                3p
                   -1 :               0.00010018976401
                   +0 :              -0.00007392633919
                   +1 :              -0.00006650834060
                3d
                   -2 :              -0.00000175980682
                   -1 :               0.00000366270545
                   +0 :              -0.00000306868251
                   +1 :              -0.00000425777985
                   +2 :              -0.00000248677597
             17 vec=    12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002504531339
                2s
                   +0 :              -0.00023048427698
                3s
                   +0 :               0.00006222800622
                2p
                   -1 :               0.00006654956876
                   +0 :               0.00004336536023
                   +1 :              -0.00019710535203
                3p
                   -1 :              -0.00001576886702
                   +0 :              -0.00003931359328
                   +1 :               0.00011525252603
                3d
                   -2 :              -0.00000130191676
                   -1 :               0.00000121221172
                   +0 :               0.00000538034010
                   +1 :              -0.00000703205670
                   +2 :               0.00000062628067
             18 vec=    12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000640893858
                2s
                   +0 :               0.00007344454648
                3s
                   +0 :              -0.00002543139799
                2p
                   -1 :               0.00007218104563
                   +0 :               0.00000335049519
                   +1 :               0.00002293934962
                3p
                   -1 :              -0.00007969125838
                   +0 :              -0.00000632921438
                   +1 :              -0.00001131611032
                3d
                   -2 :              -0.00000927352194
                   -1 :              -0.00000605199071
                   +0 :               0.00000480706175
                   +1 :              -0.00000683519669
                   +2 :              -0.00000453403255
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 20)  npairs=  14
              1 vec=    -0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00008861299060
                2s
                   +0 :               0.00004552674945
                3s
                   +0 :              -0.00037162659027
                2p
                   -1 :              -0.00060745614429
                   +0 :              -0.00063483900816
                   +1 :              -0.00021261604325
                3p
                   -1 :               0.00061531747437
                   +0 :               0.00066934169587
                   +1 :               0.00012023429726
                3d
                   -2 :              -0.00000071307868
                   -1 :              -0.00004097188656
                   +0 :               0.00000745739912
                   +1 :              -0.00002175311992
                   +2 :               0.00000098666852
              2 vec=    -0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008248052519
                2s
                   +0 :              -0.00009642162196
                3s
                   +0 :               0.00025233593384
                2p
                   -1 :               0.00021338628883
                   +0 :               0.00006440707225
                   +1 :               0.00008892299445
                3p
                   -1 :              -0.00016892524229
                   +0 :              -0.00002535636122
                   +1 :              -0.00020063060845
                3d
                   -2 :               0.00002656120828
                   -1 :              -0.00002033408268
                   +0 :              -0.00001682614133
                   +1 :              -0.00001196880668
                   +2 :               0.00002416713478
              3 vec=    -0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011581481624
                2s
                   +0 :              -0.00169106604455
                3s
                   +0 :               0.00011105549055
                2p
                   -1 :              -0.00046210211779
                   +0 :               0.00116667454694
                   +1 :               0.00026362577942
                3p
                   -1 :               0.00007632977031
                   +0 :              -0.00000357693688
                   +1 :               0.00018379000165
                3d
                   -2 :               0.00003684350105
                   -1 :               0.00003699036392
                   +0 :              -0.00002716569627
                   +1 :              -0.00007043270871
                   +2 :              -0.00003250718492
              4 vec=    -0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00018007016870
                2s
                   +0 :               0.00207057992788
                3s
                   +0 :              -0.00021508089777
                2p
                   -1 :               0.00069275624917
                   +0 :               0.00100142950713
                   +1 :              -0.00026184881516
                3p
                   -1 :              -0.00036481168704
                   +0 :               0.00010827282887
                   +1 :               0.00012280545896
                3d
                   -2 :              -0.00002306594040
                   -1 :               0.00002137704862
                   +0 :               0.00008492031410
                   +1 :              -0.00000333887592
                   +2 :               0.00001872280368
              5 vec=     7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00008636756941
                2s
                   +0 :              -0.00092032639017
                3s
                   +0 :               0.00011068288110
                2p
                   -1 :              -0.00031266493008
                   +0 :               0.00006231675311
                   +1 :              -0.00023406109356
                3p
                   -1 :               0.00003496293556
                   +0 :               0.00026952013794
                   +1 :              -0.00003308201625
                3d
                   -2 :              -0.00002412316602
                   -1 :               0.00002925586841
                   +0 :              -0.00002816183234
                   +1 :               0.00001622116615
                   +2 :               0.00001590619748
              6 vec=     7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00004495418944
                2s
                   +0 :               0.00055886773388
                3s
                   +0 :              -0.00013905464398
                2p
                   -1 :               0.00027628484830
                   +0 :               0.00035314977938
                   +1 :               0.00010044920988
                3p
                   -1 :               0.00000181751818
                   +0 :              -0.00023103368674
                   +1 :              -0.00000689942657
                3d
                   -2 :               0.00000498244820
                   -1 :               0.00001866172002
                   +0 :              -0.00001827446364
                   +1 :               0.00001034082176
                   +2 :              -0.00000814174858
              7 vec=    -7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00003860402616
                2s
                   +0 :              -0.00027170259541
                3s
                   +0 :               0.00008687608440
                2p
                   -1 :              -0.00006052497872
                   +0 :               0.00002185674502
                   +1 :               0.00011795961681
                3p
                   -1 :              -0.00010311016385
                   +0 :               0.00001983178440
                   +1 :              -0.00002314851365
                3d
                   -2 :               0.00000971858100
                   -1 :               0.00002609113206
                   +0 :               0.00001543655195
                   +1 :               0.00001133552293
                   +2 :               0.00001301005959
              8 vec=    -7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001178188857
                2s
                   +0 :              -0.00015682113680
                3s
                   +0 :              -0.00001213179506
                2p
                   -1 :               0.00032977169916
                   +0 :              -0.00013015165368
                   +1 :               0.00019373140027
                3p
                   -1 :              -0.00011456344026
                   +0 :              -0.00005991727999
                   +1 :              -0.00011231835549
                3d
                   -2 :               0.00000407401936
                   -1 :               0.00000805244113
                   +0 :              -0.00002530467269
                   +1 :               0.00002444496243
                   +2 :              -0.00001675038472
              9 vec=     7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002507992621
                2s
                   +0 :              -0.00024000917744
                3s
                   +0 :               0.00005841405306
                2p
                   -1 :               0.00013961273904
                   +0 :               0.00011024616727
                   +1 :              -0.00014413080707
                3p
                   -1 :              -0.00004562519168
                   +0 :              -0.00003743813038
                   +1 :               0.00006633674527
                3d
                   -2 :               0.00000224704474
                   -1 :               0.00000046835824
                   +0 :              -0.00001604163674
                   +1 :              -0.00000173571129
                   +2 :              -0.00000084980869
             10 vec=     7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00002713801589
                2s
                   +0 :               0.00025389569908
                3s
                   +0 :              -0.00002250209460
                2p
                   -1 :              -0.00012453278809
                   +0 :               0.00005041311570
                   +1 :              -0.00003192509520
                3p
                   -1 :               0.00002188546822
                   +0 :               0.00006051267027
                   +1 :               0.00008727212610
                3d
                   -2 :              -0.00001017573451
                   -1 :              -0.00001289184888
                   +0 :               0.00001797914019
                   +1 :               0.00000867342333
                   +2 :              -0.00001196085720
             11 vec=    -7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001930654097
                2s
                   +0 :               0.00012955702947
                3s
                   +0 :              -0.00004632564792
                2p
                   -1 :              -0.00010275356726
                   +0 :              -0.00009705890077
                   +1 :               0.00021902012234
                3p
                   -1 :               0.00009298782430
                   +0 :               0.00010442675251
                   +1 :              -0.00012688478933
                3d
                   -2 :               0.00000183435477
                   -1 :              -0.00000565085406
                   +0 :              -0.00000615952300
                   +1 :               0.00000927888523
                   +2 :               0.00001201500179
             12 vec=    -7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00006904455584
                2s
                   +0 :              -0.00058536425163
                3s
                   +0 :               0.00010775452030
                2p
                   -1 :               0.00015927310676
                   +0 :               0.00001034011199
                   +1 :              -0.00003183771157
                3p
                   -1 :              -0.00002445146285
                   +0 :              -0.00010957308819
                   +1 :              -0.00008094003745
                3d
                   -2 :               0.00001646326584
                   -1 :               0.00001657239365
                   +0 :              -0.00000419990949
                   +1 :              -0.00001841930805
                   +2 :               0.00000398034868
             13 vec=    -0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001308047486
                2s
                   +0 :               0.00008548830540
                3s
                   +0 :              -0.00002651439922
                2p
                   -1 :               0.00011815213335
                   +0 :              -0.00007875652663
                   +1 :               0.00002035746092
                3p
                   -1 :              -0.00004577340907
                   +0 :               0.00003212709296
                   +1 :               0.00000531348086
                3d
                   -2 :               0.00000616607441
                   -1 :               0.00000944960360
                   +0 :               0.00000232067539
                   +1 :              -0.00000454623932
                   +2 :              -0.00000100955238
             14 vec=    -0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000542763116
                2s
                   +0 :               0.00011270987699
                3s
                   +0 :               0.00001247955867
                2p
                   -1 :              -0.00009811129505
                   +0 :              -0.00007756292777
                   +1 :              -0.00010043574669
                3p
                   -1 :              -0.00002644465101
                   +0 :               0.00005308414325
                   +1 :               0.00004369354900
                3d
                   -2 :               0.00000263525350
                   -1 :              -0.00001217064508
                   +0 :              -0.00000235628821
                   +1 :              -0.00000225096366
                   +2 :              -0.00001516857044
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 21)  npairs=  14
              1 vec=     2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000976413105
                2s
                   +0 :              -0.00062898569027
                3s
                   +0 :              -0.00008995906184
                2p
                   -1 :               0.00087841200350
                   +0 :               0.00028091794947
                   +1 :               0.00037450789752
                3p
                   -1 :              -0.00052277950358
                   +0 :              -0.00012309593172
                   +1 :              -0.00012010548333
                3d
                   -2 :              -0.00000502350790
                   -1 :               0.00000812057591
                   +0 :               0.00002629165239
                   +1 :               0.00000545864249
                   +2 :               0.00004750655792
              2 vec=     2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00010588504216
                2s
                   +0 :              -0.00030279680732
                3s
                   +0 :               0.00042915158285
                2p
                   -1 :              -0.00062873548363
                   +0 :              -0.00072054493125
                   +1 :              -0.00058824920854
                3p
                   -1 :               0.00047229205439
                   +0 :               0.00076877888952
                   +1 :               0.00050116246649
                3d
                   -2 :              -0.00000647006299
                   -1 :               0.00004059893971
                   +0 :              -0.00000590020559
                   +1 :               0.00003138056710
                   +2 :              -0.00000557777566
              3 vec=    -5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013403895683
                2s
                   +0 :              -0.00161486719967
                3s
                   +0 :               0.00017976868513
                2p
                   -1 :               0.00017012604641
                   +0 :               0.00106693422563
                   +1 :               0.00080238654154
                3p
                   -1 :              -0.00013892324279
                   +0 :              -0.00005018469254
                   +1 :              -0.00038875345301
                3d
                   -2 :               0.00002833557985
                   -1 :               0.00000475980951
                   +0 :              -0.00007782351881
                   +1 :              -0.00001801933800
                   +2 :              -0.00001398746313
              4 vec=    -5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001259180201
                2s
                   +0 :               0.00057817165394
                3s
                   +0 :               0.00002437207634
                2p
                   -1 :              -0.00015002538824
                   +0 :               0.00039538906096
                   +1 :              -0.00052632030828
                3p
                   -1 :               0.00017697118729
                   +0 :               0.00017376922949
                   +1 :               0.00012787004401
                3d
                   -2 :              -0.00002474781379
                   -1 :               0.00003184762911
                   +0 :               0.00003157803768
                   +1 :              -0.00003364373946
                   +2 :              -0.00000176743295
              5 vec=     2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003150703413
                2s
                   +0 :              -0.00041733833164
                3s
                   +0 :               0.00011761276498
                2p
                   -1 :               0.00017443711141
                   +0 :               0.00027477749441
                   +1 :               0.00014815896201
                3p
                   -1 :               0.00004786127484
                   +0 :              -0.00021207550937
                   +1 :               0.00005395912727
                3d
                   -2 :              -0.00000471623328
                   -1 :              -0.00002163366934
                   +0 :               0.00002165319489
                   +1 :              -0.00001550129694
                   +2 :               0.00000325371987
              6 vec=     2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00011391011875
                2s
                   +0 :               0.00105736686959
                3s
                   +0 :              -0.00016864049948
                2p
                   -1 :              -0.00025799653480
                   +0 :               0.00014903366114
                   +1 :              -0.00006756610230
                3p
                   -1 :              -0.00000698007644
                   +0 :               0.00015515297109
                   +1 :              -0.00008861722891
                3d
                   -2 :               0.00002069664311
                   -1 :              -0.00001810346256
                   +0 :               0.00002922595743
                   +1 :              -0.00001870567545
                   +2 :              -0.00001375530714
              7 vec=    -5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00007414244040
                2s
                   +0 :              -0.00080826663558
                3s
                   +0 :               0.00015687187493
                2p
                   -1 :               0.00015061524315
                   +0 :               0.00045547081857
                   +1 :               0.00063200673123
                3p
                   -1 :              -0.00009552407564
                   +0 :              -0.00022290027532
                   +1 :              -0.00015297449516
                3d
                   -2 :               0.00000163680837
                   -1 :              -0.00000532490223
                   +0 :               0.00000884203910
                   +1 :              -0.00001352391366
                   +2 :              -0.00000881300344
              8 vec=    -5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00009648443264
                2s
                   +0 :               0.00077976061350
                3s
                   +0 :              -0.00016484404955
                2p
                   -1 :               0.00008248525269
                   +0 :               0.00021680083050
                   +1 :              -0.00013159237977
                3p
                   -1 :              -0.00013789104619
                   +0 :               0.00000304067547
                   +1 :              -0.00014135899422
                3d
                   -2 :               0.00000398261624
                   -1 :              -0.00002571164852
                   +0 :              -0.00000844998989
                   +1 :              -0.00003281898279
                   +2 :               0.00003046301690
              9 vec=    10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002078587490
                2s
                   +0 :              -0.00017947189908
                3s
                   +0 :               0.00001563730012
                2p
                   -1 :              -0.00008360241071
                   +0 :              -0.00004242284204
                   +1 :              -0.00010931909920
                3p
                   -1 :               0.00010019236356
                   +0 :               0.00010961178730
                   +1 :              -0.00000135497747
                3d
                   -2 :              -0.00000717307726
                   -1 :              -0.00000276647730
                   +0 :              -0.00002188544747
                   +1 :               0.00000969047653
                   +2 :              -0.00001273508082
             10 vec=    10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00003020258524
                2s
                   +0 :               0.00031255700338
                3s
                   +0 :              -0.00006858972275
                2p
                   -1 :              -0.00009325905098
                   +0 :               0.00016350380904
                   +1 :               0.00025564043505
                3p
                   -1 :               0.00006474767969
                   +0 :              -0.00006118944167
                   +1 :              -0.00009689518635
                3d
                   -2 :              -0.00000058961397
                   -1 :               0.00000336780367
                   +0 :               0.00001555195130
                   +1 :              -0.00000343831785
                   +2 :               0.00000370673004
             11 vec=     2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000600414195
                2s
                   +0 :              -0.00012819175838
                3s
                   +0 :               0.00000162518109
                2p
                   -1 :              -0.00015077793139
                   +0 :               0.00012477877287
                   +1 :               0.00003066839649
                3p
                   -1 :               0.00003071388830
                   +0 :              -0.00003694363853
                   +1 :              -0.00001887242957
                3d
                   -2 :              -0.00000105166076
                   -1 :              -0.00000052252813
                   +0 :               0.00000379974826
                   +1 :               0.00000340472016
                   +2 :              -0.00000182364501
             12 vec=     2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001481302594
                2s
                   +0 :               0.00022938351733
                3s
                   +0 :              -0.00002633612981
                2p
                   -1 :               0.00020872576385
                   +0 :               0.00000690758187
                   +1 :              -0.00008451935342
                3p
                   -1 :              -0.00009798687743
                   +0 :               0.00006980476494
                   +1 :               0.00010482420303
                3d
                   -2 :               0.00001380439962
                   -1 :              -0.00000585078990
                   +0 :               0.00000744446862
                   +1 :               0.00001204056521
                   +2 :               0.00000681973502
             13 vec=    10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001265010942
                2s
                   +0 :              -0.00022107843603
                3s
                   +0 :              -0.00001888688458
                2p
                   -1 :              -0.00002258289300
                   +0 :              -0.00010992762851
                   +1 :              -0.00014384553914
                3p
                   -1 :              -0.00002497413452
                   +0 :               0.00010452663048
                   +1 :              -0.00002648979133
                3d
                   -2 :              -0.00000821528975
                   -1 :               0.00001029841445
                   +0 :              -0.00000243497136
                   +1 :               0.00001077964501
                   +2 :              -0.00000900712620
             14 vec=    10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001199899910
                2s
                   +0 :               0.00017003113479
                3s
                   +0 :              -0.00001949089877
                2p
                   -1 :               0.00008578497710
                   +0 :               0.00004255782051
                   +1 :               0.00018960251594
                3p
                   -1 :              -0.00002000858143
                   +0 :              -0.00001228766950
                   +1 :              -0.00007672746262
                3d
                   -2 :              -0.00000107507703
                   -1 :               0.00000072297901
                   +0 :              -0.00000065220006
                   +1 :              -0.00000889377655
                   +2 :               0.00000618547448
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 22)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00332769923578
                2s
                   +0 :              -0.04406579901628
                3s
                   +0 :               0.00739080734670
                2p
                   -1 :               0.01952288338264
                   +0 :               0.89397578114216
                   +1 :               0.00200402701110
                3p
                   -1 :              -0.00633870388336
                   +0 :              -0.04326946370498
                   +1 :               0.00015216385767
                3d
                   -2 :               0.00054504425444
                   -1 :              -0.00125850981377
                   +0 :              -0.00126884088192
                   +1 :               0.00651616358643
                   +2 :               0.00158629940225
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00032624970652
                2s
                   +0 :              -0.00181689976280
                3s
                   +0 :               0.00075564907858
                2p
                   -1 :               0.00316737081322
                   +0 :               0.00192748216834
                   +1 :               0.00107816590310
                3p
                   -1 :              -0.00127920042195
                   +0 :              -0.00073756508852
                   +1 :               0.00078555889007
                3d
                   -2 :              -0.00022405184834
                   -1 :              -0.00017091793792
                   +0 :               0.00014787566869
                   +1 :              -0.00007630594182
                   +2 :              -0.00002934881637
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00002205642633
                2s
                   +0 :              -0.00000180056710
                3s
                   +0 :               0.00029368041345
                2p
                   -1 :              -0.00098338967058
                   +0 :               0.00044286983185
                   +1 :               0.00075493234194
                3p
                   -1 :               0.00072174770652
                   +0 :              -0.00032564623793
                   +1 :              -0.00013391845147
                3d
                   -2 :               0.00010559525296
                   -1 :               0.00003727645161
                   +0 :               0.00000736414391
                   +1 :              -0.00005032268137
                   +2 :              -0.00008079395269
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00001796185373
                2s
                   +0 :              -0.00038650460554
                3s
                   +0 :              -0.00013826991777
                2p
                   -1 :               0.00062816785284
                   +0 :               0.00014713792479
                   +1 :              -0.00054269107348
                3p
                   -1 :               0.00018789103946
                   +0 :              -0.00000040772480
                   +1 :               0.00058646050819
                3d
                   -2 :              -0.00000481668408
                   -1 :              -0.00011268549949
                   +0 :              -0.00002889222333
                   +1 :              -0.00006193298639
                   +2 :               0.00002213156897
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00015329501023
                2s
                   +0 :               0.00099026618193
                3s
                   +0 :              -0.00089352438361
                2p
                   -1 :               0.00088391705850
                   +0 :               0.00126020972777
                   +1 :              -0.00004769081241
                3p
                   -1 :              -0.00126513365977
                   +0 :              -0.00114621814486
                   +1 :               0.00004736817934
                3d
                   -2 :               0.00001722997334
                   -1 :              -0.00015514564506
                   +0 :               0.00008124719933
                   +1 :               0.00005787573624
                   +2 :               0.00018488761545
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00017808068474
                2s
                   +0 :              -0.00115936911318
                3s
                   +0 :               0.00033193605397
                2p
                   -1 :               0.00150873952012
                   +0 :              -0.00061760248922
                   +1 :               0.00000608359833
                3p
                   -1 :              -0.00099521823256
                   +0 :               0.00070377220556
                   +1 :              -0.00041608630622
                3d
                   -2 :              -0.00000965806354
                   -1 :              -0.00012691819495
                   +0 :               0.00004335693018
                   +1 :               0.00017484491844
                   +2 :              -0.00018350146425
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00005181471214
                2s
                   +0 :               0.00008016807031
                3s
                   +0 :              -0.00030814739462
                2p
                   -1 :               0.00019823740948
                   +0 :              -0.00069254922540
                   +1 :               0.00035858714775
                3p
                   -1 :              -0.00026661698923
                   +0 :               0.00096634788035
                   +1 :              -0.00036424104354
                3d
                   -2 :              -0.00019587315821
                   -1 :               0.00017656638984
                   +0 :               0.00000335839892
                   +1 :               0.00024360460745
                   +2 :              -0.00014115263044
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008107434184
                2s
                   +0 :               0.00079844936825
                3s
                   +0 :              -0.00018958238863
                2p
                   -1 :               0.00009734129631
                   +0 :               0.00010396254329
                   +1 :              -0.00079766086263
                3p
                   -1 :              -0.00012470726896
                   +0 :              -0.00011429126418
                   +1 :               0.00030630409512
                3d
                   -2 :               0.00001518679950
                   -1 :               0.00000629469785
                   +0 :              -0.00001354243664
                   +1 :               0.00002544754047
                   +2 :               0.00001738686286
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004042416683
                2s
                   +0 :               0.00049028287632
                3s
                   +0 :              -0.00002950482575
                2p
                   -1 :              -0.00062836997569
                   +0 :              -0.00005502880487
                   +1 :              -0.00023753105191
                3p
                   -1 :               0.00019360587467
                   +0 :              -0.00003250043654
                   +1 :               0.00008571017515
                3d
                   -2 :               0.00001619946184
                   -1 :               0.00000354985889
                   +0 :              -0.00000921283549
                   +1 :               0.00000448616261
                   +2 :              -0.00000698165629
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001748651888
                2s
                   +0 :               0.00015511219739
                3s
                   +0 :              -0.00005201690622
                2p
                   -1 :               0.00006236517342
                   +0 :              -0.00001541089490
                   +1 :              -0.00002320022854
                3p
                   -1 :              -0.00005458221117
                   +0 :              -0.00002634639733
                   +1 :               0.00003248274926
                3d
                   -2 :               0.00000040383425
                   -1 :              -0.00000380675441
                   +0 :              -0.00000181813133
                   +1 :               0.00000072273917
                   +2 :              -0.00000173631717
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002498611795
                2s
                   +0 :              -0.00023344286848
                3s
                   +0 :               0.00001960823240
                2p
                   -1 :               0.00010939670082
                   +0 :              -0.00018209689101
                   +1 :               0.00006541423099
                3p
                   -1 :               0.00006507686638
                   +0 :               0.00012002704541
                   +1 :              -0.00013406583016
                3d
                   -2 :               0.00000718281946
                   -1 :              -0.00001762023822
                   +0 :               0.00002107567518
                   +1 :              -0.00000346552656
                   +2 :               0.00001013476186
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000996172161
                2s
                   +0 :               0.00003758816848
                3s
                   +0 :              -0.00003074941994
                2p
                   -1 :              -0.00005595603770
                   +0 :              -0.00017865669179
                   +1 :              -0.00002464313320
                3p
                   -1 :               0.00003406401972
                   +0 :               0.00004321484116
                   +1 :               0.00003552544841
                3d
                   -2 :               0.00000003246938
                   -1 :               0.00000516557155
                   +0 :              -0.00000303217657
                   +1 :               0.00000658460402
                   +2 :              -0.00001578509552
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000840168392
                2s
                   +0 :              -0.00001893317961
                3s
                   +0 :              -0.00003485007077
                2p
                   -1 :               0.00001891716970
                   +0 :              -0.00003039855213
                   +1 :              -0.00014748333373
                3p
                   -1 :              -0.00001856152639
                   +0 :              -0.00002828855110
                   +1 :               0.00008864735388
                3d
                   -2 :              -0.00000523683206
                   -1 :               0.00000435153780
                   +0 :               0.00000775326916
                   +1 :               0.00000493642862
                   +2 :              -0.00000856890720
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000937709255
                2s
                   +0 :               0.00012252830734
                3s
                   +0 :              -0.00000336153560
                2p
                   -1 :              -0.00004921134308
                   +0 :              -0.00001067970233
                   +1 :              -0.00009374363702
                3p
                   -1 :              -0.00000539946580
                   +0 :              -0.00000303922427
                   +1 :               0.00003921459733
                3d
                   -2 :               0.00000288696791
                   -1 :               0.00000083617151
                   +0 :               0.00000142405365
                   +1 :               0.00000321139765
                   +2 :               0.00000115851026
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000715084944
                2s
                   +0 :               0.00009567132353
                3s
                   +0 :              -0.00001374047075
                2p
                   -1 :               0.00002406924187
                   +0 :              -0.00000911613559
                   +1 :              -0.00005275903620
                3p
                   -1 :              -0.00002771291572
                   +0 :              -0.00000787930684
                   +1 :               0.00002324008376
                3d
                   -2 :               0.00000307631617
                   -1 :              -0.00000084673048
                   +0 :               0.00000206166484
                   +1 :               0.00000305456087
                   +2 :               0.00000171854437
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000063052396
                2s
                   +0 :               0.00001733764557
                3s
                   +0 :               0.00000124456725
                2p
                   -1 :               0.00001110187282
                   +0 :              -0.00002654757780
                   +1 :               0.00000721644866
                3p
                   -1 :              -0.00000525584009
                   +0 :               0.00001254826224
                   +1 :               0.00000055942770
                3d
                   -2 :               0.00000120760198
                   -1 :               0.00000041842251
                   +0 :               0.00000159524353
                   +1 :              -0.00000015370150
                   +2 :               0.00000029149654
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000320928143
                2s
                   +0 :              -0.00001655019545
                3s
                   +0 :               0.00001323611476
                2p
                   -1 :              -0.00006943609040
                   +0 :              -0.00000437644292
                   +1 :               0.00007089080930
                3p
                   -1 :               0.00005285789088
                   +0 :              -0.00001498673961
                   +1 :              -0.00005052536422
                3d
                   -2 :              -0.00000378475358
                   -1 :               0.00000060695234
                   +0 :               0.00000251619210
                   +1 :               0.00000056792752
                   +2 :              -0.00000196990043
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001188337840
                2s
                   +0 :              -0.00008173250202
                3s
                   +0 :               0.00002713715600
                2p
                   -1 :               0.00002030837774
                   +0 :              -0.00002745684867
                   +1 :               0.00004385681301
                3p
                   -1 :               0.00002215317040
                   +0 :               0.00000153484778
                   +1 :              -0.00005001730688
                3d
                   -2 :               0.00000451700266
                   -1 :              -0.00000124838420
                   +0 :               0.00000028519777
                   +1 :               0.00000064869483
                   +2 :               0.00000117771494
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001797716017
                2s
                   +0 :              -0.00014395547273
                3s
                   +0 :               0.00004507477120
                2p
                   -1 :              -0.00000603318361
                   +0 :               0.00003604344862
                   +1 :              -0.00010527429862
                3p
                   -1 :              -0.00000242291612
                   +0 :              -0.00005336620466
                   +1 :               0.00006242908919
                3d
                   -2 :               0.00000325431959
                   -1 :              -0.00000781043730
                   +0 :              -0.00000438956198
                   +1 :              -0.00000305754841
                   +2 :               0.00000471269598
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 23)  npairs=  12
              1 vec=     4.767165      0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00015707927899
                2s
                   +0 :               0.00261556235915
                3s
                   +0 :              -0.00043145201748
                2p
                   -1 :              -0.00118688918562
                   +0 :              -0.01420288777405
                   +1 :              -0.00472711290076
                3p
                   -1 :               0.00095049108858
                   +0 :              -0.00298854558421
                   +1 :               0.00387453301195
                3d
                   -2 :               0.00014106637287
                   -1 :               0.00008297041031
                   +0 :               0.00016067768520
                   +1 :              -0.00215885944582
                   +2 :               0.00031675014306
              2 vec=    -3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00110345672765
                2s
                   +0 :              -0.00829264464188
                3s
                   +0 :               0.00399329568454
                2p
                   -1 :               0.00638274617079
                   +0 :               0.00460357192404
                   +1 :               0.00255459175981
                3p
                   -1 :              -0.00310903947054
                   +0 :              -0.00482569921425
                   +1 :              -0.00329616257238
                3d
                   -2 :               0.00122120282620
                   -1 :               0.00054202326279
                   +0 :              -0.00042690282373
                   +1 :               0.00064131112231
                   +2 :              -0.00123985795233
              3 vec=    -3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00144186996145
                2s
                   +0 :               0.00851017453323
                3s
                   +0 :              -0.00359275924428
                2p
                   -1 :               0.00487086458754
                   +0 :              -0.00704179288971
                   +1 :              -0.00851919648420
                3p
                   -1 :              -0.00333458248596
                   +0 :               0.00093984971794
                   +1 :               0.00547886503589
                3d
                   -2 :               0.00028576290207
                   -1 :              -0.00061509635738
                   +0 :               0.00043853702132
                   +1 :               0.00075722590465
                   +2 :              -0.00026669221451
              4 vec=     4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00005825803558
                2s
                   +0 :               0.00010505202282
                3s
                   +0 :              -0.00029966536738
                2p
                   -1 :               0.00050186108586
                   +0 :              -0.00069703500019
                   +1 :              -0.00072048244775
                3p
                   -1 :               0.00000555425462
                   +0 :               0.00008272192716
                   +1 :               0.00032758716443
                3d
                   -2 :              -0.00001111254358
                   -1 :              -0.00006743319672
                   +0 :               0.00003983596906
                   +1 :               0.00001751110661
                   +2 :               0.00013172527497
              5 vec=     4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00005013469222
                2s
                   +0 :               0.00002076665516
                3s
                   +0 :               0.00022023307413
                2p
                   -1 :               0.00102168120266
                   +0 :               0.00034404521806
                   +1 :               0.00018013941790
                3p
                   -1 :              -0.00054310688000
                   +0 :              -0.00078047570087
                   +1 :              -0.00011500757301
                3d
                   -2 :              -0.00007101580431
                   -1 :              -0.00011018483645
                   +0 :               0.00011018451935
                   +1 :              -0.00001767645964
                   +2 :              -0.00007803836346
              6 vec=   -10.793160     -0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00043590803075
                2s
                   +0 :               0.00363984084163
                3s
                   +0 :              -0.00069916889287
                2p
                   -1 :               0.00063677635015
                   +0 :               0.00150766602641
                   +1 :              -0.00197501422328
                3p
                   -1 :              -0.00039439772239
                   +0 :              -0.00151976293116
                   +1 :               0.00041165005538
                3d
                   -2 :              -0.00004225033249
                   -1 :              -0.00003839730791
                   +0 :              -0.00011105786313
                   +1 :               0.00006648240667
                   +2 :               0.00007539062546
              7 vec=    12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00003846934056
                2s
                   +0 :              -0.00039238247696
                3s
                   +0 :               0.00006587207146
                2p
                   -1 :              -0.00019604608489
                   +0 :              -0.00019879329195
                   +1 :              -0.00062295618199
                3p
                   -1 :               0.00009383011495
                   +0 :               0.00003558813398
                   +1 :               0.00033270656183
                3d
                   -2 :               0.00000556778832
                   -1 :               0.00001540390782
                   +0 :               0.00003037488860
                   +1 :               0.00000580170377
                   +2 :              -0.00000582347550
              8 vec=    12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00003250077156
                2s
                   +0 :               0.00018669916556
                3s
                   +0 :              -0.00018124333814
                2p
                   -1 :               0.00017087487919
                   +0 :              -0.00039149629553
                   +1 :               0.00043036089451
                3p
                   -1 :              -0.00015744186407
                   +0 :               0.00019682334520
                   +1 :              -0.00046040635495
                3d
                   -2 :              -0.00001798487248
                   -1 :               0.00000809877309
                   +0 :               0.00000155987391
                   +1 :               0.00000670079101
                   +2 :              -0.00001231638047
              9 vec=    -3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000862634607
                2s
                   +0 :              -0.00005454859188
                3s
                   +0 :               0.00003985635061
                2p
                   -1 :               0.00017502653256
                   +0 :               0.00005531323802
                   +1 :               0.00011594800911
                3p
                   -1 :              -0.00004667558221
                   +0 :              -0.00004170671971
                   +1 :               0.00008476411654
                3d
                   -2 :              -0.00003601324951
                   -1 :              -0.00002557894802
                   +0 :              -0.00000577649255
                   +1 :               0.00000332341078
                   +2 :               0.00002362865739
             10 vec=    -3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000604453460
                2s
                   +0 :              -0.00000115746503
                3s
                   +0 :               0.00006801997994
                2p
                   -1 :              -0.00000677600667
                   +0 :               0.00010294221157
                   +1 :               0.00037802908294
                3p
                   -1 :               0.00006675772421
                   +0 :              -0.00015666782129
                   +1 :              -0.00025250336730
                3d
                   -2 :              -0.00000277670863
                   -1 :              -0.00001532557529
                   +0 :              -0.00002928607481
                   +1 :               0.00000490569854
                   +2 :              -0.00001435631496
             11 vec=   -10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00002584475207
                2s
                   +0 :               0.00017674995925
                3s
                   +0 :              -0.00009570738201
                2p
                   -1 :               0.00022837874237
                   +0 :               0.00003518568401
                   +1 :              -0.00023960921698
                3p
                   -1 :               0.00001161242020
                   +0 :              -0.00003632521523
                   +1 :               0.00009467795841
                3d
                   -2 :              -0.00002584368730
                   -1 :              -0.00001305341359
                   +0 :               0.00001779427468
                   +1 :              -0.00000587539134
                   +2 :               0.00001738406820
             12 vec=   -10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00004161655433
                2s
                   +0 :               0.00036843108609
                3s
                   +0 :              -0.00005663819150
                2p
                   -1 :               0.00015788320992
                   +0 :               0.00002191855431
                   +1 :              -0.00001152307059
                3p
                   -1 :              -0.00010760078514
                   +0 :              -0.00006809399132
                   +1 :              -0.00002318521073
                3d
                   -2 :              -0.00000268659524
                   -1 :               0.00000353548982
                   +0 :              -0.00000512936200
                   +1 :               0.00000269454791
                   +2 :               0.00001175401684
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 24)  npairs=  12
              1 vec=     2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00005783290117
                2s
                   +0 :              -0.00002034897737
                3s
                   +0 :               0.00032552762677
                2p
                   -1 :              -0.00139942648161
                   +0 :              -0.01420195175006
                   +1 :              -0.00196975050490
                3p
                   -1 :               0.00297943716658
                   +0 :              -0.00281141809114
                   +1 :               0.00010762699664
                3d
                   -2 :              -0.00004129618095
                   -1 :               0.00181173994215
                   +0 :              -0.00008759885473
                   +1 :              -0.00077658711704
                   +2 :               0.00028714683767
              2 vec=    -5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00052089352159
                2s
                   +0 :              -0.00327449911979
                3s
                   +0 :               0.00225771466947
                2p
                   -1 :              -0.00563443303352
                   +0 :              -0.00476809050750
                   +1 :               0.00198817419192
                3p
                   -1 :               0.00209282211002
                   +0 :               0.00307044664005
                   +1 :              -0.00147811059391
                3d
                   -2 :              -0.00065638112429
                   -1 :               0.00027982005912
                   +0 :              -0.00056172505871
                   +1 :               0.00096639007106
                   +2 :               0.00139234502524
              3 vec=     2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00158798852861
                2s
                   +0 :               0.01006101550374
                3s
                   +0 :              -0.00481041622935
                2p
                   -1 :               0.00416736613989
                   +0 :              -0.00038989402759
                   +1 :               0.00403850844574
                3p
                   -1 :              -0.00302390899529
                   +0 :              -0.00491881558695
                   +1 :              -0.00297280876554
                3d
                   -2 :              -0.00024850978648
                   -1 :              -0.00058365360249
                   +0 :               0.00041282648819
                   +1 :              -0.00039044454399
                   +2 :               0.00004098313941
              4 vec=    -5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00056525481403
                2s
                   +0 :               0.00462492313586
                3s
                   +0 :              -0.00131574840555
                2p
                   -1 :              -0.00171503409832
                   +0 :               0.00040746960192
                   +1 :               0.00062259425362
                3p
                   -1 :               0.00042920140222
                   +0 :              -0.00068841164092
                   +1 :              -0.00067895889184
                3d
                   -2 :               0.00012520336892
                   -1 :               0.00006034398833
                   +0 :              -0.00021101497473
                   +1 :               0.00007948032759
                   +2 :              -0.00011840993300
              5 vec=    10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00008779905249
                2s
                   +0 :              -0.00055222009394
                3s
                   +0 :               0.00024763065008
                2p
                   -1 :              -0.00126607708940
                   +0 :              -0.00028312863836
                   +1 :               0.00039756474662
                3p
                   -1 :               0.00095145032416
                   +0 :              -0.00023820996416
                   +1 :              -0.00032665381010
                3d
                   -2 :              -0.00001945732120
                   -1 :               0.00001427795379
                   +0 :              -0.00004328037351
                   +1 :               0.00001588358563
                   +2 :              -0.00007959621009
              6 vec=    -5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00001070910367
                2s
                   +0 :               0.00036230983831
                3s
                   +0 :               0.00000485764262
                2p
                   -1 :              -0.00018412749292
                   +0 :              -0.00043286928207
                   +1 :              -0.00020267594680
                3p
                   -1 :               0.00025632838776
                   +0 :               0.00008005076980
                   +1 :               0.00033762897136
                3d
                   -2 :               0.00001902737294
                   -1 :               0.00002062834432
                   +0 :              -0.00001016395526
                   +1 :              -0.00005387950967
                   +2 :              -0.00009473837619
              7 vec=     2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00002205844502
                2s
                   +0 :              -0.00012166327192
                3s
                   +0 :               0.00003743654603
                2p
                   -1 :               0.00014428997949
                   +0 :              -0.00017279801226
                   +1 :               0.00006269121556
                3p
                   -1 :              -0.00000241161275
                   +0 :               0.00002000797485
                   +1 :              -0.00006043379902
                3d
                   -2 :               0.00000126940354
                   -1 :              -0.00000836115138
                   +0 :               0.00002096903830
                   +1 :               0.00000872199615
                   +2 :              -0.00000543943483
              8 vec=    10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00002230731698
                2s
                   +0 :               0.00008775916921
                3s
                   +0 :              -0.00007550272650
                2p
                   -1 :               0.00004677990500
                   +0 :              -0.00062332815991
                   +1 :               0.00019510477829
                3p
                   -1 :               0.00000515669932
                   +0 :               0.00038786969402
                   +1 :              -0.00008823591896
                3d
                   -2 :               0.00000960270627
                   -1 :              -0.00002556066065
                   +0 :              -0.00000726533719
                   +1 :              -0.00000185098929
                   +2 :               0.00000339115586
              9 vec=   -13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000322520633
                2s
                   +0 :               0.00009843868706
                3s
                   +0 :               0.00005021887166
                2p
                   -1 :              -0.00036661393219
                   +0 :               0.00034539866425
                   +1 :               0.00037253946584
                3p
                   -1 :               0.00002715829572
                   +0 :              -0.00025113236498
                   +1 :              -0.00027785495128
                3d
                   -2 :               0.00002629036095
                   -1 :               0.00001228140748
                   +0 :              -0.00000219507490
                   +1 :              -0.00000631096309
                   +2 :               0.00001124793119
             10 vec=    10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000142598685
                2s
                   +0 :              -0.00007164337087
                3s
                   +0 :              -0.00000537764161
                2p
                   -1 :              -0.00012796733011
                   +0 :              -0.00006123649854
                   +1 :               0.00014977719945
                3p
                   -1 :               0.00005509076501
                   +0 :              -0.00003260480430
                   +1 :              -0.00017977801281
                3d
                   -2 :               0.00000324335371
                   -1 :              -0.00000062090966
                   +0 :               0.00000554854081
                   +1 :               0.00001183400443
                   +2 :               0.00000085688332
             11 vec=   -13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00004030045923
                2s
                   +0 :               0.00031305241665
                3s
                   +0 :              -0.00012540652627
                2p
                   -1 :               0.00007207122244
                   +0 :              -0.00009584218136
                   +1 :              -0.00003175702761
                3p
                   -1 :              -0.00003714407666
                   +0 :               0.00007109081235
                   +1 :               0.00009159188371
                3d
                   -2 :               0.00003260318338
                   -1 :               0.00000664124636
                   +0 :               0.00000165866130
                   +1 :              -0.00002983326862
                   +2 :              -0.00002057491304
             12 vec=     2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00004162472728
                2s
                   +0 :              -0.00029308051254
                3s
                   +0 :               0.00014029173717
                2p
                   -1 :              -0.00014327523236
                   +0 :               0.00000101886520
                   +1 :              -0.00021398685622
                3p
                   -1 :               0.00004962990811
                   +0 :              -0.00004608684299
                   +1 :               0.00015227760399
                3d
                   -2 :               0.00001003397129
                   -1 :              -0.00000065190806
                   +0 :              -0.00001558931434
                   +1 :              -0.00000983645633
                   +2 :               0.00000661040410
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 25)  npairs=  14
              1 vec=     2.173777      1.739555     -4.091257   |vec|=    4.948711
                1s
                   +0 :               0.00345399997882
                2s
                   +0 :              -0.08984526635157
                3s
                   +0 :               0.00580772360672
                2p
                   -1 :              -0.02653981307219
                   +0 :               0.04790481431730
                   +1 :              -0.02981756838008
                3p
                   -1 :               0.00292069628608
                   +0 :              -0.00594561588426
                   +1 :               0.00422459105663
                3d
                   -2 :              -0.00233329502544
                   -1 :               0.00120776416483
                   +0 :              -0.00133404399822
                   +1 :               0.00142825584014
                   +2 :              -0.00028516736261
              2 vec=    -5.606385     -2.752324     -4.091257   |vec|=    7.466273
                1s
                   +0 :               0.00023318418418
                2s
                   +0 :              -0.00092280466006
                3s
                   +0 :               0.00151514242980
                2p
                   -1 :               0.00267148946680
                   +0 :               0.00193388545972
                   +1 :               0.00038776949651
                3p
                   -1 :              -0.00215131494131
                   +0 :              -0.00180418469954
                   +1 :               0.00000568747392
                3d
                   -2 :               0.00025026107541
                   -1 :               0.00023601842066
                   +0 :              -0.00024706127702
                   +1 :               0.00017755659526
                   +2 :               0.00016074271426
              3 vec=     2.173777     -7.244203     -4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00022735490504
                2s
                   +0 :              -0.00099153666566
                3s
                   +0 :               0.00087125768995
                2p
                   -1 :               0.00254857263723
                   +0 :              -0.00316972713864
                   +1 :              -0.00206399495326
                3p
                   -1 :              -0.00212202226470
                   +0 :               0.00039865803753
                   +1 :              -0.00015577940655
                3d
                   -2 :               0.00017341481147
                   -1 :               0.00031599227995
                   +0 :               0.00002024024380
                   +1 :              -0.00004899249839
                   +2 :              -0.00017029677421
              4 vec=    -5.606385      6.231434     -4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00022988543077
                2s
                   +0 :              -0.00151039120117
                3s
                   +0 :               0.00061557687347
                2p
                   -1 :              -0.00224400761204
                   +0 :               0.00005942455323
                   +1 :               0.00156588766689
                3p
                   -1 :               0.00044873153755
                   +0 :              -0.00105655377463
                   +1 :              -0.00088792324497
                3d
                   -2 :               0.00004902757600
                   -1 :              -0.00010849694518
                   +0 :               0.00002998525541
                   +1 :               0.00010525452523
                   +2 :               0.00006570555597
              5 vec=     9.953940     -2.752324     -4.091257   |vec|=   11.108312
                1s
                   +0 :              -0.00018898254677
                2s
                   +0 :               0.00068122684472
                3s
                   +0 :              -0.00049545568930
                2p
                   -1 :              -0.00050738728559
                   +0 :               0.00087904030810
                   +1 :              -0.00111009108062
                3p
                   -1 :               0.00050127391825
                   +0 :              -0.00098761107358
                   +1 :               0.00084064156334
                3d
                   -2 :               0.00001069216530
                   -1 :              -0.00002101445234
                   +0 :              -0.00007129755307
                   +1 :              -0.00005507858157
                   +2 :               0.00011524236283
              6 vec=     2.173777     10.723313     -4.091257   |vec|=   11.681316
                1s
                   +0 :               0.00003768695304
                2s
                   +0 :              -0.00024323003218
                3s
                   +0 :              -0.00001681567888
                2p
                   -1 :              -0.00057761878641
                   +0 :              -0.00004798671480
                   +1 :               0.00044452420377
                3p
                   -1 :               0.00058668052587
                   +0 :              -0.00005197971753
                   +1 :              -0.00027415280491
                3d
                   -2 :               0.00002503038360
                   -1 :               0.00003318733547
                   +0 :               0.00000283711702
                   +1 :               0.00001125380132
                   +2 :              -0.00001053365152
              7 vec=     9.953940      6.231434     -4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00011740780684
                2s
                   +0 :              -0.00104611325807
                3s
                   +0 :               0.00031218825703
                2p
                   -1 :               0.00025871667356
                   +0 :               0.00056698109936
                   +1 :              -0.00061487305539
                3p
                   -1 :              -0.00007050911220
                   +0 :              -0.00023121575600
                   +1 :               0.00029887844324
                3d
                   -2 :              -0.00000527791328
                   -1 :              -0.00000708902801
                   +0 :              -0.00001376541816
                   +1 :              -0.00002197449893
                   +2 :              -0.00001752595266
              8 vec=    -5.606385    -11.736082     -4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00003442272245
                2s
                   +0 :               0.00010034319306
                3s
                   +0 :              -0.00020204135248
                2p
                   -1 :               0.00004480674843
                   +0 :              -0.00039938841031
                   +1 :               0.00047343499946
                3p
                   -1 :               0.00034116822049
                   +0 :               0.00014638521819
                   +1 :              -0.00000228982644
                3d
                   -2 :              -0.00005421612229
                   -1 :              -0.00001242371408
                   +0 :               0.00004326697997
                   +1 :              -0.00000826435239
                   +2 :               0.00004604382640
              9 vec=   -13.386548      1.739555     -4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00005910779024
                2s
                   +0 :               0.00037675083668
                3s
                   +0 :              -0.00018284467688
                2p
                   -1 :               0.00029267268586
                   +0 :              -0.00022312995869
                   +1 :               0.00002973065650
                3p
                   -1 :              -0.00018843066368
                   +0 :               0.00010408641440
                   +1 :               0.00016483006684
                3d
                   -2 :               0.00001659230674
                   -1 :              -0.00000594445128
                   +0 :               0.00002747807506
                   +1 :              -0.00001351566260
                   +2 :              -0.00003693635594
             10 vec=   -13.386548     -7.244203     -4.091257   |vec|=   15.761235
                1s
                   +0 :              -0.00002003559039
                2s
                   +0 :               0.00014692278104
                3s
                   +0 :              -0.00004289065026
                2p
                   -1 :               0.00006324957570
                   +0 :              -0.00000363852016
                   +1 :              -0.00002959396020
                3p
                   -1 :              -0.00006400482886
                   +0 :               0.00000425705103
                   +1 :               0.00008259051167
                3d
                   -2 :               0.00000559591146
                   -1 :              -0.00000178698715
                   +0 :              -0.00000098591393
                   +1 :              -0.00000152126993
                   +2 :              -0.00000619895044
             11 vec=     9.953940    -11.736082     -4.091257   |vec|=   15.923408
                1s
                   +0 :               0.00005700708669
                2s
                   +0 :              -0.00037681161756
                3s
                   +0 :               0.00013829397315
                2p
                   -1 :               0.00005673412246
                   +0 :               0.00021147572320
                   +1 :              -0.00015104852797
                3p
                   -1 :               0.00001806567701
                   +0 :              -0.00018646507290
                   +1 :               0.00007624854432
                3d
                   -2 :               0.00000177100673
                   -1 :               0.00001467150855
                   +0 :               0.00000919605618
                   +1 :              -0.00001916638113
                   +2 :               0.00000390738147
             12 vec=    -5.606385     15.215192     -4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00002519405870
                2s
                   +0 :               0.00017263197329
                3s
                   +0 :              -0.00008317475589
                2p
                   -1 :               0.00002681763856
                   +0 :              -0.00008032264847
                   +1 :              -0.00006366571761
                3p
                   -1 :              -0.00002467740336
                   +0 :               0.00004980093759
                   +1 :               0.00005136207337
                3d
                   -2 :               0.00000814649543
                   -1 :               0.00000312420650
                   +0 :               0.00000150923190
                   +1 :               0.00000134894742
                   +2 :               0.00000063792335
             13 vec=     2.173777    -16.227961     -4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00000650840802
                2s
                   +0 :              -0.00003577023004
                3s
                   +0 :               0.00001483824494
                2p
                   -1 :               0.00002390880624
                   +0 :              -0.00008041118258
                   +1 :              -0.00005000451117
                3p
                   -1 :               0.00001624083774
                   +0 :               0.00004807337042
                   +1 :               0.00005661090188
                3d
                   -2 :              -0.00000325731006
                   -1 :              -0.00000649967523
                   +0 :               0.00000076574516
                   +1 :               0.00000519108253
                   +2 :               0.00001039966196
             14 vec=   -13.386548     10.723313     -4.091257   |vec|=   17.633136
                1s
                   +0 :              -0.00000797076034
                2s
                   +0 :               0.00009315348995
                3s
                   +0 :              -0.00001136105531
                2p
                   -1 :               0.00007012960317
                   +0 :              -0.00003832067724
                   +1 :               0.00002241749664
                3p
                   -1 :              -0.00003225832464
                   +0 :               0.00001867827119
                   +1 :              -0.00000958949138
                3d
                   -2 :              -0.00000142386637
                   -1 :               0.00000114948425
                   +0 :              -0.00000036833415
                   +1 :               0.00000210249748
                   +2 :              -0.00000390282746
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 26)  npairs=  14
              1 vec=    -2.593388      1.739555     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00224466661109
                2s
                   +0 :              -0.05121192030768
                3s
                   +0 :               0.00352996153104
                2p
                   -1 :              -0.01628375135367
                   +0 :               0.02503227136856
                   +1 :               0.01847535293712
                3p
                   -1 :               0.00384941923477
                   +0 :              -0.00132050662156
                   +1 :               0.00070187746981
                3d
                   -2 :               0.00136754479534
                   -1 :               0.00187980156509
                   +0 :              -0.00069235115897
                   +1 :              -0.00206907980130
                   +2 :              -0.00027717561989
              2 vec=     5.186775     -2.752324     -4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00223156357077
                2s
                   +0 :              -0.01612337515161
                3s
                   +0 :               0.00744426183280
                2p
                   -1 :               0.00623222469926
                   +0 :               0.00553180490315
                   +1 :              -0.01457131411099
                3p
                   -1 :              -0.00455425149403
                   +0 :              -0.00436128697676
                   +1 :               0.01024473100031
                3d
                   -2 :              -0.00059713514248
                   -1 :               0.00027211664994
                   +0 :              -0.00038091604010
                   +1 :              -0.00048440288135
                   +2 :               0.00042902097593
              3 vec=    -2.593388     -7.244203     -4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00004039513256
                2s
                   +0 :              -0.00069220722068
                3s
                   +0 :              -0.00031053337532
                2p
                   -1 :               0.00381438092738
                   +0 :              -0.00295461044282
                   +1 :               0.00465677268954
                3p
                   -1 :              -0.00081440968294
                   +0 :               0.00106613671762
                   +1 :              -0.00157345885317
                3d
                   -2 :              -0.00014761450003
                   -1 :               0.00004749284525
                   +0 :               0.00012464534860
                   +1 :              -0.00002808167186
                   +2 :               0.00009369699123
              4 vec=     5.186775      6.231434     -4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00021658602717
                2s
                   +0 :              -0.00197194183431
                3s
                   +0 :               0.00016728168889
                2p
                   -1 :              -0.00301177505986
                   +0 :              -0.00215520522649
                   +1 :              -0.00000110696123
                3p
                   -1 :               0.00001445087434
                   +0 :               0.00063711649377
                   +1 :              -0.00104933502512
                3d
                   -2 :              -0.00024292523301
                   -1 :              -0.00002628152195
                   +0 :               0.00014945337880
                   +1 :              -0.00003962075441
                   +2 :               0.00004746407931
              5 vec=   -10.373550     -2.752324     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00001610327404
                2s
                   +0 :               0.00021187065832
                3s
                   +0 :               0.00010875589304
                2p
                   -1 :              -0.00082053347607
                   +0 :              -0.00071080659548
                   +1 :               0.00011876950068
                3p
                   -1 :               0.00075800261236
                   +0 :               0.00036639867538
                   +1 :              -0.00033753233448
                3d
                   -2 :              -0.00002783564188
                   -1 :              -0.00003798992018
                   +0 :              -0.00004470535145
                   +1 :               0.00005715398800
                   +2 :               0.00011924358671
              6 vec=    -2.593388     10.723313     -4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00004917543272
                2s
                   +0 :              -0.00037270939812
                3s
                   +0 :               0.00016500080087
                2p
                   -1 :              -0.00084684016833
                   +0 :              -0.00031710736399
                   +1 :              -0.00032077465651
                3p
                   -1 :               0.00079226381406
                   +0 :               0.00017465996506
                   +1 :               0.00028115251970
                3d
                   -2 :              -0.00003984960759
                   -1 :              -0.00000577770003
                   +0 :              -0.00003469999868
                   +1 :              -0.00001162356717
                   +2 :              -0.00006025618906
              7 vec=   -10.373550      6.231434     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00003796796965
                2s
                   +0 :               0.00025273002941
                3s
                   +0 :              -0.00006609314735
                2p
                   -1 :               0.00015194386394
                   +0 :               0.00017697369958
                   +1 :              -0.00011902563417
                3p
                   -1 :              -0.00007686017528
                   +0 :              -0.00005964885902
                   +1 :               0.00011957251863
                3d
                   -2 :              -0.00001985120523
                   -1 :               0.00001495878673
                   +0 :              -0.00000531313521
                   +1 :               0.00002709229690
                   +2 :               0.00002421812998
              8 vec=     5.186775    -11.736082     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00004167950357
                2s
                   +0 :              -0.00051671931363
                3s
                   +0 :               0.00002157128447
                2p
                   -1 :               0.00023861256665
                   +0 :               0.00023372313995
                   +1 :               0.00014714044102
                3p
                   -1 :               0.00007100874394
                   +0 :              -0.00015222225029
                   +1 :              -0.00021415326732
                3d
                   -2 :               0.00002916298866
                   -1 :               0.00000965997084
                   +0 :               0.00001940943723
                   +1 :              -0.00000495577970
                   +2 :               0.00002926458548
              9 vec=    12.966938      1.739555     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00004010481797
                2s
                   +0 :              -0.00043781130898
                3s
                   +0 :               0.00004592263350
                2p
                   -1 :              -0.00011774235590
                   +0 :              -0.00015605961441
                   +1 :              -0.00009654414101
                3p
                   -1 :               0.00002758365875
                   +0 :               0.00014081789660
                   +1 :              -0.00005661486697
                3d
                   -2 :              -0.00000693652051
                   -1 :              -0.00000205043201
                   +0 :               0.00000270248977
                   +1 :               0.00000761102416
                   +2 :               0.00000686179526
             10 vec=    12.966938     -7.244203     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00002631788485
                2s
                   +0 :              -0.00021281172786
                3s
                   +0 :               0.00002585985615
                2p
                   -1 :               0.00002687707854
                   +0 :               0.00007466126126
                   +1 :              -0.00023033536728
                3p
                   -1 :               0.00005035211403
                   +0 :              -0.00008290587132
                   +1 :               0.00009193769337
                3d
                   -2 :               0.00001296509427
                   -1 :              -0.00000402830517
                   +0 :               0.00001631827930
                   +1 :              -0.00001244353242
                   +2 :              -0.00000914086377
             11 vec=   -10.373550    -11.736082     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000843412362
                2s
                   +0 :               0.00003188537866
                3s
                   +0 :               0.00002157700481
                2p
                   -1 :              -0.00004325371260
                   +0 :              -0.00004459138818
                   +1 :              -0.00000626334955
                3p
                   -1 :              -0.00002176056676
                   +0 :               0.00002847343855
                   +1 :              -0.00000941062693
                3d
                   -2 :               0.00000978257982
                   -1 :              -0.00000797396393
                   +0 :               0.00000063345627
                   +1 :              -0.00000079287660
                   +2 :              -0.00001020210952
             12 vec=     5.186775     15.215192     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00001672719814
                2s
                   +0 :               0.00007275667299
                3s
                   +0 :              -0.00006640729927
                2p
                   -1 :               0.00005000599696
                   +0 :               0.00002479578849
                   +1 :               0.00010365103863
                3p
                   -1 :              -0.00007197255247
                   +0 :              -0.00004176046181
                   +1 :              -0.00005876723637
                3d
                   -2 :              -0.00000016726360
                   -1 :               0.00000106554417
                   +0 :               0.00000726753747
                   +1 :               0.00000104218655
                   +2 :               0.00000211025535
             13 vec=    -2.593388    -16.227961     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00001370690476
                2s
                   +0 :              -0.00007127636358
                3s
                   +0 :               0.00004650108409
                2p
                   -1 :              -0.00002814826342
                   +0 :              -0.00002443911345
                   +1 :              -0.00000436928308
                3p
                   -1 :               0.00001551339768
                   +0 :               0.00003437943705
                   +1 :              -0.00001906897301
                3d
                   -2 :               0.00000007149552
                   -1 :              -0.00000297589772
                   +0 :              -0.00000520027594
                   +1 :               0.00000381107323
                   +2 :               0.00000233097284
             14 vec=    12.966938     10.723313     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00001898631359
                2s
                   +0 :              -0.00016210234117
                3s
                   +0 :               0.00003634981584
                2p
                   -1 :               0.00000748322114
                   +0 :               0.00003145396563
                   +1 :              -0.00010957019587
                3p
                   -1 :               0.00000610170316
                   +0 :              -0.00005480018989
                   +1 :               0.00004178372713
                3d
                   -2 :               0.00000480853026
                   -1 :              -0.00000159592971
                   +0 :              -0.00000082400674
                   +1 :              -0.00000266203543
                   +2 :              -0.00000082899078
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 27)  npairs=  14
              1 vec=    -0.209805     -3.115717     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00226112695943
                2s
                   +0 :              -0.05941237510674
                3s
                   +0 :               0.00360470188718
                2p
                   -1 :               0.02681584884059
                   +0 :               0.02441521005118
                   +1 :               0.00084579800000
                3p
                   -1 :              -0.00023435294120
                   +0 :               0.00134889584873
                   +1 :               0.00379366207492
                3d
                   -2 :              -0.00028680306977
                   -1 :              -0.00296410082852
                   +0 :              -0.00123771262125
                   +1 :               0.00025455301458
                   +2 :               0.00118677390784
              2 vec=    -0.209805      5.868041     -4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00015745089359
                2s
                   +0 :               0.00184490414448
                3s
                   +0 :              -0.00072342256790
                2p
                   -1 :               0.00021921436398
                   +0 :               0.00130389804615
                   +1 :              -0.00086485734994
                3p
                   -1 :              -0.00116217012124
                   +0 :              -0.00114383453222
                   +1 :               0.00107548458585
                3d
                   -2 :               0.00005979788658
                   -1 :              -0.00020933869376
                   +0 :               0.00028964297066
                   +1 :              -0.00007306753845
                   +2 :              -0.00008635625467
              3 vec=     7.570358      1.376162     -4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00027293240076
                2s
                   +0 :               0.00238614344629
                3s
                   +0 :              -0.00112314166343
                2p
                   -1 :               0.00281371244160
                   +0 :              -0.00378744529945
                   +1 :               0.00021892996269
                3p
                   -1 :              -0.00100803990141
                   +0 :               0.00106310049963
                   +1 :              -0.00069300623414
                3d
                   -2 :               0.00008274736991
                   -1 :               0.00015596602197
                   +0 :               0.00010333085988
                   +1 :              -0.00015926870883
                   +2 :              -0.00008531954893
              4 vec=    -7.989968      1.376162     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00020059984747
                2s
                   +0 :               0.00149201659059
                3s
                   +0 :              -0.00062360116296
                2p
                   -1 :               0.00057059657742
                   +0 :              -0.00153092173671
                   +1 :               0.00328346853152
                3p
                   -1 :               0.00057405098944
                   +0 :               0.00008299985897
                   +1 :              -0.00127598158746
                3d
                   -2 :              -0.00018291597070
                   -1 :              -0.00000867754465
                   +0 :               0.00008829522511
                   +1 :               0.00011951381442
                   +2 :              -0.00009999494844
              5 vec=     7.570358     -7.607596     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00023681147432
                2s
                   +0 :               0.00122217110456
                3s
                   +0 :              -0.00082712883206
                2p
                   -1 :              -0.00091951224834
                   +0 :               0.00062916807412
                   +1 :               0.00029577147011
                3p
                   -1 :               0.00095505465585
                   +0 :              -0.00057169793360
                   +1 :              -0.00033200451149
                3d
                   -2 :               0.00003755545400
                   -1 :               0.00002936901586
                   +0 :               0.00002935672774
                   +1 :              -0.00000077515141
                   +2 :               0.00006668339514
              6 vec=    -7.989968     -7.607596     -4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00004725666879
                2s
                   +0 :               0.00045175531928
                3s
                   +0 :              -0.00021766397188
                2p
                   -1 :              -0.00023066951595
                   +0 :              -0.00067219298276
                   +1 :              -0.00011951641607
                3p
                   -1 :               0.00016766535966
                   +0 :               0.00044991510432
                   +1 :               0.00008969795265
                3d
                   -2 :               0.00001564848952
                   -1 :              -0.00000929038723
                   +0 :              -0.00001595474727
                   +1 :               0.00000529117761
                   +2 :              -0.00001547295747
              7 vec=    -0.209805    -12.099475     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00004464583485
                2s
                   +0 :               0.00017345988742
                3s
                   +0 :              -0.00019211436742
                2p
                   -1 :              -0.00044149415914
                   +0 :              -0.00010833013288
                   +1 :              -0.00027819113559
                3p
                   -1 :               0.00039376524238
                   +0 :               0.00023296157092
                   +1 :               0.00008836264929
                3d
                   -2 :              -0.00000367160140
                   -1 :              -0.00001977570086
                   +0 :               0.00002823185902
                   +1 :               0.00002325796107
                   +2 :              -0.00000614746563
              8 vec=     7.570358     10.359920     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00009784271520
                2s
                   +0 :              -0.00114450415058
                3s
                   +0 :               0.00018961214493
                2p
                   -1 :              -0.00096372687553
                   +0 :              -0.00012173134170
                   +1 :              -0.00042235442327
                3p
                   -1 :               0.00032353872912
                   +0 :               0.00012806763894
                   +1 :               0.00004496657893
                3d
                   -2 :              -0.00004942144238
                   -1 :               0.00002474936156
                   +0 :               0.00001611324369
                   +1 :               0.00001067693650
                   +2 :              -0.00001275103847
              9 vec=    -7.989968     10.359920     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00001414585488
                2s
                   +0 :              -0.00029427861009
                3s
                   +0 :               0.00000429063970
                2p
                   -1 :              -0.00042634775207
                   +0 :               0.00022082295636
                   +1 :               0.00032853209104
                3p
                   -1 :               0.00012257485413
                   +0 :              -0.00022726243148
                   +1 :              -0.00010723796555
                3d
                   -2 :               0.00002258026495
                   -1 :              -0.00002351340836
                   +0 :               0.00001518749997
                   +1 :               0.00002505247405
                   +2 :               0.00000140740162
             10 vec=    -0.209805     14.851799     -4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00004382926519
                2s
                   +0 :               0.00022606573915
                3s
                   +0 :              -0.00012354114694
                2p
                   -1 :               0.00011983966696
                   +0 :               0.00001550380094
                   +1 :               0.00000987182401
                3p
                   -1 :              -0.00013471972781
                   +0 :              -0.00002945344581
                   +1 :              -0.00000238907456
                3d
                   -2 :               0.00000177730764
                   -1 :               0.00000041392717
                   +0 :               0.00000208959597
                   +1 :              -0.00000256586709
                   +2 :               0.00001274930706
             11 vec=    15.350520     -3.115717     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000139377022
                2s
                   +0 :              -0.00007841222345
                3s
                   +0 :              -0.00005928973679
                2p
                   -1 :               0.00012015143656
                   +0 :              -0.00002799546320
                   +1 :               0.00016163510301
                3p
                   -1 :              -0.00010121609794
                   +0 :               0.00003360735070
                   +1 :              -0.00025391786879
                3d
                   -2 :              -0.00000838021995
                   -1 :               0.00000402679635
                   +0 :               0.00000374974309
                   +1 :               0.00000969633496
                   +2 :              -0.00002537941570
             12 vec=   -15.770130     -3.115717     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00001503835880
                2s
                   +0 :               0.00016991125680
                3s
                   +0 :              -0.00003858193380
                2p
                   -1 :              -0.00014929559910
                   +0 :              -0.00005257885137
                   +1 :              -0.00012556503180
                3p
                   -1 :               0.00009524074542
                   +0 :               0.00004758012656
                   +1 :               0.00005437282255
                3d
                   -2 :              -0.00000391650738
                   -1 :               0.00000308638298
                   +0 :              -0.00000246968617
                   +1 :              -0.00000776597045
                   +2 :               0.00000126424845
             13 vec=    15.350520      5.868041     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00002821986662
                2s
                   +0 :              -0.00024691837315
                3s
                   +0 :               0.00007490827144
                2p
                   -1 :              -0.00014375203571
                   +0 :               0.00003835660090
                   +1 :              -0.00008047110993
                3p
                   -1 :               0.00009505115822
                   +0 :              -0.00004896563658
                   +1 :               0.00001103940248
                3d
                   -2 :               0.00000455699890
                   -1 :              -0.00000554261251
                   +0 :               0.00000690759734
                   +1 :              -0.00000525177661
                   +2 :              -0.00000452206963
             14 vec=   -15.770130      5.868041     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00000527263026
                2s
                   +0 :              -0.00001072173834
                3s
                   +0 :               0.00001643706869
                2p
                   -1 :              -0.00004808144558
                   +0 :               0.00004503602534
                   +1 :              -0.00002085642444
                3p
                   -1 :               0.00002530202143
                   +0 :              -0.00001328298722
                   +1 :               0.00001692534981
                3d
                   -2 :               0.00000506776692
                   -1 :              -0.00000137001645
                   +0 :              -0.00000422998895
                   +1 :              -0.00000262471769
                   +2 :               0.00000073513851
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 28)  npairs=  15
              1 vec=     5.186256      0.000299      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00036224708199
                2s
                   +0 :               0.00355374098013
                3s
                   +0 :              -0.00054295849076
                2p
                   -1 :              -0.00200889412712
                   +0 :               0.00212853125270
                   +1 :               0.00156845289765
                3p
                   -1 :              -0.00012976751255
                   +0 :              -0.00018391409779
                   +1 :               0.00003738104528
                3d
                   -2 :              -0.00009637383030
                   -1 :              -0.00014274348281
                   +0 :               0.00001979337881
                   +1 :               0.00010926564662
                   +2 :              -0.00002430043136
              2 vec=    -2.593906     -4.491580      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00001714714979
                2s
                   +0 :               0.00064614152999
                3s
                   +0 :               0.00031026113366
                2p
                   -1 :              -0.00015616571787
                   +0 :               0.00540911494752
                   +1 :              -0.00437172459594
                3p
                   -1 :              -0.00062447349639
                   +0 :              -0.00113288082511
                   +1 :               0.00065244928265
                3d
                   -2 :               0.00017304493719
                   -1 :              -0.00010745949192
                   +0 :               0.00010300138949
                   +1 :              -0.00034448347337
                   +2 :               0.00007170517496
              3 vec=    -2.593906      4.492178      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00026708933105
                2s
                   +0 :               0.00276156254906
                3s
                   +0 :               0.00008943857968
                2p
                   -1 :               0.00013479887757
                   +0 :               0.00117369033417
                   +1 :               0.00116080330663
                3p
                   -1 :               0.00115748819998
                   +0 :               0.00079829447459
                   +1 :              -0.00089389732006
                3d
                   -2 :              -0.00003034018670
                   -1 :               0.00029482384156
                   +0 :               0.00011326080782
                   +1 :               0.00002037341427
                   +2 :              -0.00003886420950
              4 vec=     5.186256     -8.983459      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00006364322860
                2s
                   +0 :               0.00074841684046
                3s
                   +0 :              -0.00015688269654
                2p
                   -1 :              -0.00015754002109
                   +0 :              -0.00011457419238
                   +1 :               0.00022258156411
                3p
                   -1 :              -0.00007685274834
                   +0 :               0.00008310664369
                   +1 :              -0.00034350688370
                3d
                   -2 :               0.00004086294989
                   -1 :               0.00000691379528
                   +0 :               0.00003104794721
                   +1 :              -0.00003409365940
                   +2 :               0.00002248113603
              5 vec=     5.186256      8.984057      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00004062915686
                2s
                   +0 :               0.00053034220170
                3s
                   +0 :              -0.00004642013983
                2p
                   -1 :               0.00029354808181
                   +0 :              -0.00020168769047
                   +1 :               0.00030358390697
                3p
                   -1 :              -0.00016707971389
                   +0 :               0.00027562949392
                   +1 :              -0.00010941642808
                3d
                   -2 :               0.00000249062493
                   -1 :               0.00000676832664
                   +0 :               0.00002097530616
                   +1 :              -0.00000555801147
                   +2 :               0.00000817384038
              6 vec=   -10.374069      0.000299      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00007801756139
                2s
                   +0 :               0.00066914463116
                3s
                   +0 :              -0.00030308639529
                2p
                   -1 :               0.00020731146230
                   +0 :              -0.00023424683834
                   +1 :              -0.00015224879389
                3p
                   -1 :              -0.00031317421680
                   +0 :               0.00011185458655
                   +1 :               0.00002163443021
                3d
                   -2 :               0.00001375724056
                   -1 :              -0.00007437884740
                   +0 :              -0.00002124190383
                   +1 :               0.00000304394605
                   +2 :               0.00005589875758
              7 vec=    12.966419     -4.491580      8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00003163177693
                2s
                   +0 :              -0.00015184915306
                3s
                   +0 :               0.00014376927397
                2p
                   -1 :               0.00018539739264
                   +0 :              -0.00008041627900
                   +1 :              -0.00024809625127
                3p
                   -1 :              -0.00013068989976
                   +0 :               0.00007095458694
                   +1 :               0.00028883395438
                3d
                   -2 :              -0.00000021837490
                   -1 :              -0.00000128768235
                   +0 :              -0.00001662618624
                   +1 :               0.00001395801422
                   +2 :               0.00001657338514
              8 vec=    12.966419      4.492178      8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00000116251870
                2s
                   +0 :               0.00004755580261
                3s
                   +0 :               0.00000516759945
                2p
                   -1 :              -0.00004501237805
                   +0 :               0.00012328873095
                   +1 :               0.00001076294518
                3p
                   -1 :               0.00005449622411
                   +0 :              -0.00009641041180
                   +1 :               0.00005093590240
                3d
                   -2 :               0.00000235241684
                   -1 :               0.00000387212014
                   +0 :              -0.00000292204532
                   +1 :              -0.00000655944480
                   +2 :              -0.00000121883508
              9 vec=    -2.593906    -13.475338      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000927091037
                2s
                   +0 :               0.00004817952803
                3s
                   +0 :              -0.00003093916166
                2p
                   -1 :              -0.00009113040309
                   +0 :               0.00005000327943
                   +1 :               0.00009145781371
                3p
                   -1 :               0.00006888522854
                   +0 :              -0.00002447531498
                   +1 :              -0.00008175665334
                3d
                   -2 :               0.00000269801562
                   -1 :               0.00000093858173
                   +0 :               0.00000220321297
                   +1 :               0.00000059380620
                   +2 :               0.00000036386570
             10 vec=   -10.374069     -8.983459      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00004185664322
                2s
                   +0 :              -0.00035142291247
                3s
                   +0 :               0.00006773370960
                2p
                   -1 :               0.00024815123853
                   +0 :               0.00002924824288
                   +1 :              -0.00011778350210
                3p
                   -1 :              -0.00002656969378
                   +0 :               0.00011778283200
                   +1 :               0.00010307164873
                3d
                   -2 :              -0.00000794786751
                   -1 :              -0.00001446814316
                   +0 :               0.00001467266312
                   +1 :              -0.00001590292951
                   +2 :               0.00001125454681
             11 vec=    -2.593906     13.475936      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00002821129279
                2s
                   +0 :               0.00031252997215
                3s
                   +0 :              -0.00004542174537
                2p
                   -1 :               0.00018400605468
                   +0 :               0.00015160498016
                   +1 :               0.00001036499721
                3p
                   -1 :              -0.00002326152210
                   +0 :              -0.00007844901061
                   +1 :              -0.00005785168737
                3d
                   -2 :              -0.00001298345083
                   -1 :              -0.00000491654143
                   +0 :              -0.00000321220492
                   +1 :               0.00000977313672
                   +2 :               0.00000730743919
             12 vec=   -10.374069      8.984057      8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000393307098
                2s
                   +0 :               0.00009220282731
                3s
                   +0 :               0.00000046320053
                2p
                   -1 :               0.00004614225788
                   +0 :               0.00000503303164
                   +1 :              -0.00009502648487
                3p
                   -1 :              -0.00005365555553
                   +0 :               0.00000920370593
                   +1 :               0.00005459207823
                3d
                   -2 :               0.00000340139918
                   -1 :               0.00000658586680
                   +0 :              -0.00000410668015
                   +1 :              -0.00000163788776
                   +2 :               0.00000341925627
             13 vec=     5.186256      0.000299    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000350409342
                2s
                   +0 :              -0.00012326522831
                3s
                   +0 :              -0.00003310279180
                2p
                   -1 :              -0.00008764076371
                   +0 :               0.00013197844125
                   +1 :               0.00007607801972
                3p
                   -1 :               0.00003272759752
                   +0 :               0.00001977442747
                   +1 :              -0.00009863401942
                3d
                   -2 :               0.00000030492734
                   -1 :               0.00000661802217
                   +0 :               0.00000172069817
                   +1 :               0.00000836062428
                   +2 :              -0.00000570861629
             14 vec=    -2.593906     -4.491580    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003442586377
                2s
                   +0 :              -0.00024747355350
                3s
                   +0 :               0.00009084326134
                2p
                   -1 :              -0.00007076786814
                   +0 :               0.00014934097678
                   +1 :              -0.00001096185689
                3p
                   -1 :               0.00009264833142
                   +0 :              -0.00005602412221
                   +1 :              -0.00000705939363
                3d
                   -2 :               0.00000051489051
                   -1 :              -0.00000641702755
                   +0 :               0.00000892583870
                   +1 :               0.00000440466302
                   +2 :               0.00000387754778
             15 vec=    -2.593906      4.492178    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001849660633
                2s
                   +0 :              -0.00017896214323
                3s
                   +0 :               0.00000836893168
                2p
                   -1 :               0.00011647580983
                   +0 :               0.00008181639464
                   +1 :               0.00010387217333
                3p
                   -1 :              -0.00004692156047
                   +0 :               0.00008102676730
                   +1 :              -0.00001138248197
                3d
                   -2 :              -0.00000310998929
                   -1 :              -0.00000596246214
                   +0 :              -0.00000414966121
                   +1 :              -0.00000438028417
                   +2 :               0.00000476361822
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 29)  npairs=  15
              1 vec=     2.174296     -4.491580      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00044505970213
                2s
                   +0 :               0.00346994002513
                3s
                   +0 :              -0.00047805968704
                2p
                   -1 :              -0.00079964642083
                   +0 :               0.00305515809335
                   +1 :               0.00035448082336
                3p
                   -1 :              -0.00004824055755
                   +0 :              -0.00025635173048
                   +1 :               0.00137704498126
                3d
                   -2 :              -0.00014674848172
                   -1 :              -0.00008261510630
                   +0 :               0.00021569609100
                   +1 :               0.00038977592247
                   +2 :               0.00007987269747
              2 vec=     2.174296      4.492178      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00036859048058
                2s
                   +0 :               0.00416468545792
                3s
                   +0 :              -0.00026552229704
                2p
                   -1 :               0.00300060597161
                   +0 :               0.00396819994779
                   +1 :              -0.00318128488644
                3p
                   -1 :              -0.00019352165881
                   +0 :              -0.00040027920603
                   +1 :               0.00154366355065
                3d
                   -2 :              -0.00008539901637
                   -1 :               0.00012770697763
                   +0 :               0.00003653555922
                   +1 :               0.00003322490672
                   +2 :              -0.00002793412611
              3 vec=    -5.605867      0.000299      8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00022414270203
                2s
                   +0 :              -0.00226880773156
                3s
                   +0 :               0.00086088910539
                2p
                   -1 :              -0.00310956180972
                   +0 :              -0.00084611413879
                   +1 :              -0.00132763968646
                3p
                   -1 :               0.00064181746681
                   +0 :               0.00147266683985
                   +1 :              -0.00017054943532
                3d
                   -2 :               0.00002403230800
                   -1 :              -0.00029006677643
                   +0 :               0.00005935171910
                   +1 :               0.00001279729588
                   +2 :               0.00012834145699
              4 vec=     9.954459      0.000299      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00011319737850
                2s
                   +0 :               0.00102192347739
                3s
                   +0 :              -0.00042699167734
                2p
                   -1 :               0.00005255192420
                   +0 :              -0.00027360140076
                   +1 :               0.00077360550847
                3p
                   -1 :               0.00016347674946
                   +0 :               0.00001772267404
                   +1 :              -0.00051581012680
                3d
                   -2 :               0.00002703513905
                   -1 :               0.00002531174087
                   +0 :               0.00000196188031
                   +1 :              -0.00006442066269
                   +2 :              -0.00002543703654
              5 vec=    -5.605867     -8.983459      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00000985904078
                2s
                   +0 :               0.00023584663409
                3s
                   +0 :              -0.00000799436478
                2p
                   -1 :               0.00015482852577
                   +0 :               0.00005963524101
                   +1 :              -0.00034846734650
                3p
                   -1 :              -0.00017921279874
                   +0 :              -0.00006511370559
                   +1 :               0.00012180435117
                3d
                   -2 :               0.00001571209074
                   -1 :               0.00000987065518
                   +0 :              -0.00001807832789
                   +1 :               0.00000602330357
                   +2 :              -0.00000442648080
              6 vec=    -5.605867      8.984057      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00004969636044
                2s
                   +0 :               0.00058350130063
                3s
                   +0 :              -0.00006313140345
                2p
                   -1 :               0.00003208038595
                   +0 :              -0.00017283919581
                   +1 :              -0.00029363714645
                3p
                   -1 :               0.00007206824992
                   +0 :               0.00017004781421
                   +1 :               0.00009380535740
                3d
                   -2 :               0.00001709272922
                   -1 :              -0.00001693899195
                   +0 :               0.00003027875464
                   +1 :               0.00000141056948
                   +2 :              -0.00001519200895
              7 vec=     9.954459     -8.983459      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00000995620953
                2s
                   +0 :               0.00023645483901
                3s
                   +0 :               0.00008350068826
                2p
                   -1 :              -0.00002208465916
                   +0 :               0.00002238176268
                   +1 :              -0.00002873414834
                3p
                   -1 :              -0.00012862989106
                   +0 :               0.00013804368703
                   +1 :               0.00016351797268
                3d
                   -2 :              -0.00001175087982
                   -1 :              -0.00002057753854
                   +0 :               0.00000767967471
                   +1 :               0.00002030051929
                   +2 :              -0.00001747579325
              8 vec=     9.954459      8.984057      8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00001299366889
                2s
                   +0 :               0.00016019994905
                3s
                   +0 :              -0.00002544089531
                2p
                   -1 :               0.00017278715612
                   +0 :               0.00005771618922
                   +1 :               0.00015640253865
                3p
                   -1 :              -0.00007240851602
                   +0 :              -0.00003269647181
                   +1 :              -0.00005429866822
                3d
                   -2 :              -0.00000370058892
                   -1 :              -0.00000377000982
                   +0 :              -0.00000737729330
                   +1 :               0.00000753888868
                   +2 :              -0.00000193091422
              9 vec=     2.174296    -13.475338      8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00000774148773
                2s
                   +0 :               0.00005846951466
                3s
                   +0 :              -0.00001995415383
                2p
                   -1 :              -0.00005321662602
                   +0 :              -0.00006460368275
                   +1 :              -0.00012210760447
                3p
                   -1 :               0.00005302030383
                   +0 :               0.00005409059915
                   +1 :               0.00006738039734
                3d
                   -2 :               0.00000292406912
                   -1 :              -0.00000039770888
                   +0 :               0.00000390054872
                   +1 :              -0.00000332405034
                   +2 :               0.00000149462834
             10 vec=     2.174296     13.475936      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00000990758910
                2s
                   +0 :               0.00001585796678
                3s
                   +0 :               0.00007989639487
                2p
                   -1 :               0.00004550197358
                   +0 :               0.00007244815990
                   +1 :               0.00003927575965
                3p
                   -1 :               0.00003055205154
                   +0 :              -0.00005634397124
                   +1 :               0.00001347506998
                3d
                   -2 :               0.00000599528381
                   -1 :              -0.00000986759032
                   +0 :               0.00000342917985
                   +1 :              -0.00000667886089
                   +2 :              -0.00000521650266
             11 vec=   -13.386029     -4.491580      8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00003236396528
                2s
                   +0 :              -0.00031841876325
                3s
                   +0 :               0.00005655986604
                2p
                   -1 :              -0.00006720330948
                   +0 :              -0.00002897283253
                   +1 :               0.00021441571341
                3p
                   -1 :              -0.00000853283611
                   +0 :               0.00015203711795
                   +1 :              -0.00005926979119
                3d
                   -2 :               0.00000138384589
                   -1 :               0.00000377643656
                   +0 :               0.00001261783810
                   +1 :              -0.00000846000136
                   +2 :              -0.00001011179841
             12 vec=   -13.386029      4.492178      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00002000474860
                2s
                   +0 :               0.00020447845081
                3s
                   +0 :              -0.00002872683234
                2p
                   -1 :               0.00009211006241
                   +0 :               0.00008005305192
                   +1 :              -0.00003212372987
                3p
                   -1 :              -0.00006463307116
                   +0 :               0.00001433863054
                   +1 :              -0.00003897569343
                3d
                   -2 :              -0.00000243179578
                   -1 :               0.00000600787803
                   +0 :              -0.00000077895374
                   +1 :              -0.00000486760328
                   +2 :               0.00000232398786
             13 vec=     2.174296     -4.491580    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00004401407452
                2s
                   +0 :              -0.00034465321494
                3s
                   +0 :               0.00010126604245
                2p
                   -1 :               0.00022654948062
                   +0 :               0.00031196729693
                   +1 :              -0.00002798694991
                3p
                   -1 :              -0.00012142976681
                   +0 :              -0.00014732074698
                   +1 :               0.00005828051480
                3d
                   -2 :              -0.00000170512620
                   -1 :              -0.00000016826539
                   +0 :              -0.00000013522389
                   +1 :              -0.00000631731798
                   +2 :               0.00000326264390
             14 vec=     2.174296      4.492178    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00003336715566
                2s
                   +0 :              -0.00030669912560
                3s
                   +0 :               0.00006817874434
                2p
                   -1 :               0.00014505895464
                   +0 :               0.00026359132462
                   +1 :              -0.00002426074156
                3p
                   -1 :              -0.00005331662747
                   +0 :              -0.00010838293460
                   +1 :               0.00002041224370
                3d
                   -2 :               0.00000209903978
                   -1 :              -0.00000810917232
                   +0 :               0.00000790078981
                   +1 :              -0.00000429772829
                   +2 :              -0.00000623616688
             15 vec=    -5.605867      0.000299    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000458909463
                2s
                   +0 :              -0.00006928106336
                3s
                   +0 :              -0.00001250436093
                2p
                   -1 :              -0.00004767597251
                   +0 :               0.00012979945015
                   +1 :               0.00000724244383
                3p
                   -1 :              -0.00003009870620
                   +0 :              -0.00000747543119
                   +1 :               0.00001966450222
                3d
                   -2 :              -0.00000250703823
                   -1 :               0.00000796157575
                   +0 :              -0.00000273131106
                   +1 :              -0.00000538698913
                   +2 :               0.00000550556547
WF             site_B          number of pairs
WF( 34)=[O_10_2pz]  to site O ( 30)  npairs=  14
              1 vec=    -0.209805      0.362794      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00034373925137
                2s
                   +0 :               0.00129028004705
                3s
                   +0 :              -0.00107376890863
                2p
                   -1 :               0.00118241112276
                   +0 :               0.00394757316236
                   +1 :               0.00100313130143
                3p
                   -1 :              -0.00086413717111
                   +0 :              -0.00347907111759
                   +1 :              -0.00064270450081
                3d
                   -2 :              -0.00000667688215
                   -1 :               0.00003614389184
                   +0 :              -0.00078638663818
                   +1 :               0.00005745550038
                   +2 :              -0.00012861291490
              2 vec=     7.570358     -4.129085      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00017646956692
                2s
                   +0 :              -0.00043448522081
                3s
                   +0 :               0.00070363003401
                2p
                   -1 :              -0.00128777845361
                   +0 :              -0.00107189591196
                   +1 :               0.00101531684995
                3p
                   -1 :               0.00092726126294
                   +0 :               0.00101940634776
                   +1 :              -0.00053019783957
                3d
                   -2 :               0.00002516583227
                   -1 :               0.00000259242017
                   +0 :               0.00007881373002
                   +1 :              -0.00004124764903
                   +2 :              -0.00004101713694
              3 vec=    -0.209805     -8.620964      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00007690934596
                2s
                   +0 :              -0.00034671088359
                3s
                   +0 :               0.00024745147103
                2p
                   -1 :              -0.00005529585355
                   +0 :               0.00050769280768
                   +1 :               0.00001242689148
                3p
                   -1 :               0.00009611503144
                   +0 :              -0.00019086948480
                   +1 :              -0.00006172891268
                3d
                   -2 :               0.00004256862932
                   -1 :              -0.00002116855962
                   +0 :              -0.00002296661307
                   +1 :              -0.00000587418638
                   +2 :               0.00003118497717
              4 vec=     7.570358      4.854673      8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00010109844670
                2s
                   +0 :               0.00085604174999
                3s
                   +0 :              -0.00033133977556
                2p
                   -1 :               0.00056473848594
                   +0 :               0.00010702170407
                   +1 :               0.00071529191848
                3p
                   -1 :              -0.00031772886926
                   +0 :              -0.00003527580059
                   +1 :              -0.00020469453168
                3d
                   -2 :              -0.00002401132105
                   -1 :              -0.00000115713017
                   +0 :               0.00001918637392
                   +1 :              -0.00001312648192
                   +2 :              -0.00001495398581
              5 vec=    -7.989968     -4.129085      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00018706967487
                2s
                   +0 :              -0.00176926912405
                3s
                   +0 :              -0.00000383899474
                2p
                   -1 :              -0.00026566931304
                   +0 :              -0.00046910799179
                   +1 :               0.00081830881115
                3p
                   -1 :               0.00048238099921
                   +0 :              -0.00040105059076
                   +1 :              -0.00013741399249
                3d
                   -2 :              -0.00008272964984
                   -1 :               0.00011410078513
                   +0 :              -0.00008030157521
                   +1 :               0.00015022463826
                   +2 :              -0.00006876258383
              6 vec=    -0.209805      9.346552      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00005090311850
                2s
                   +0 :               0.00093770883920
                3s
                   +0 :              -0.00006292724642
                2p
                   -1 :               0.00089238652793
                   +0 :               0.00060438136537
                   +1 :               0.00010724236019
                3p
                   -1 :              -0.00037866013220
                   +0 :              -0.00047319461832
                   +1 :              -0.00013032772748
                3d
                   -2 :              -0.00003936206461
                   -1 :              -0.00002012167388
                   +0 :               0.00002213845054
                   +1 :               0.00000231709328
                   +2 :              -0.00000213606117
              7 vec=    -7.989968      4.854673      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00002767535793
                2s
                   +0 :               0.00027020740296
                3s
                   +0 :              -0.00004549815291
                2p
                   -1 :               0.00005408409262
                   +0 :              -0.00023141558952
                   +1 :              -0.00051437339716
                3p
                   -1 :              -0.00010796677554
                   +0 :               0.00045114512438
                   +1 :               0.00035732978585
                3d
                   -2 :               0.00004840645388
                   -1 :               0.00001041261697
                   +0 :               0.00006506393382
                   +1 :              -0.00002088664048
                   +2 :              -0.00000203476422
              8 vec=    -0.209805      0.362794    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001280317154
                2s
                   +0 :               0.00005924112481
                3s
                   +0 :              -0.00007155570766
                2p
                   -1 :              -0.00008835299861
                   +0 :              -0.00001273996096
                   +1 :              -0.00003221149841
                3p
                   -1 :               0.00007721492403
                   +0 :               0.00007392622889
                   +1 :               0.00009022441138
                3d
                   -2 :               0.00000026185458
                   -1 :              -0.00000256050951
                   +0 :              -0.00001229349311
                   +1 :              -0.00000585546791
                   +2 :              -0.00000883867091
              9 vec=     7.570358    -13.112843      8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000387314329
                2s
                   +0 :               0.00008964994175
                3s
                   +0 :               0.00004480946875
                2p
                   -1 :              -0.00010218149660
                   +0 :               0.00007327817917
                   +1 :               0.00008892137588
                3p
                   -1 :               0.00001864691150
                   +0 :              -0.00003046606761
                   +1 :              -0.00006880875859
                3d
                   -2 :               0.00000370895713
                   -1 :              -0.00000326470707
                   +0 :              -0.00000213587085
                   +1 :              -0.00000992002843
                   +2 :              -0.00000073490283
             10 vec=    15.350520      0.362794      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000425773455
                2s
                   +0 :               0.00005532334730
                3s
                   +0 :               0.00001171522182
                2p
                   -1 :              -0.00007133382127
                   +0 :              -0.00003168811535
                   +1 :               0.00002298684809
                3p
                   -1 :               0.00006895903833
                   +0 :               0.00004809326437
                   +1 :               0.00003351660392
                3d
                   -2 :               0.00000443576208
                   -1 :               0.00000109594025
                   +0 :              -0.00000328741319
                   +1 :               0.00000878379220
                   +2 :               0.00000576626587
             11 vec=    -7.989968    -13.112843      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000406442751
                2s
                   +0 :               0.00000806627135
                3s
                   +0 :              -0.00001251169490
                2p
                   -1 :              -0.00009083351921
                   +0 :               0.00006028765132
                   +1 :              -0.00001648448417
                3p
                   -1 :               0.00005750773153
                   +0 :               0.00001031622454
                   +1 :              -0.00005483418596
                3d
                   -2 :               0.00000998737560
                   -1 :              -0.00000156360643
                   +0 :               0.00000318252097
                   +1 :              -0.00000385786012
                   +2 :               0.00000186064693
             12 vec=     7.570358     13.838431      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00001698627599
                2s
                   +0 :               0.00014782416002
                3s
                   +0 :              -0.00002755970373
                2p
                   -1 :               0.00000555735189
                   +0 :               0.00003329963927
                   +1 :               0.00006597923256
                3p
                   -1 :               0.00004734299803
                   +0 :               0.00000369161785
                   +1 :              -0.00003379038474
                3d
                   -2 :               0.00000124800286
                   -1 :               0.00000230367920
                   +0 :               0.00000138641864
                   +1 :              -0.00000154245106
                   +2 :              -0.00000200047931
             13 vec=   -15.770130      0.362794      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00000043904359
                2s
                   +0 :               0.00001688664357
                3s
                   +0 :               0.00000103130425
                2p
                   -1 :              -0.00009070970451
                   +0 :               0.00012675258658
                   +1 :              -0.00002463424474
                3p
                   -1 :               0.00003087063523
                   +0 :              -0.00004592522294
                   +1 :              -0.00001734259783
                3d
                   -2 :              -0.00000034732495
                   -1 :              -0.00000557822700
                   +0 :               0.00000275230008
                   +1 :              -0.00000354002157
                   +2 :               0.00000417827857
             14 vec=    -7.989968     13.838431      8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00001739905007
                2s
                   +0 :               0.00018888772531
                3s
                   +0 :              -0.00002663328726
                2p
                   -1 :               0.00007169177997
                   +0 :               0.00009061938319
                   +1 :               0.00003376059534
                3p
                   -1 :              -0.00001415060918
                   +0 :              -0.00005314888660
                   +1 :              -0.00005193717795
                3d
                   -2 :               0.00000051527522
                   -1 :              -0.00000329721840
                   +0 :              -0.00000109085099
                   +1 :              -0.00000396141842
                   +2 :               0.00000109156119
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al(  1)  npairs=  13
              1 vec=    -2.803193     -1.376162      6.601980   |vec|=    7.303276
                2s
                   +0 :               0.00194718020990
                2p
                   -1 :              -0.00053130263920
                   +0 :               0.00102645805506
                   +1 :              -0.00094102622656
                3s
                   +0 :              -0.00848977330896
                4s
                   +0 :               0.00441425352598
                3p
                   -1 :               0.00650736610424
                   +0 :              -0.00414009928932
                   +1 :               0.00629698050975
                4p
                   -1 :              -0.00110121968790
                   +0 :               0.00228521217854
                   +1 :              -0.00122444055761
                3d
                   -2 :               0.00167480901878
                   -1 :               0.00018379986575
                   +0 :               0.00005927826579
                   +1 :              -0.00115702309330
                   +2 :               0.00003193466674
              2 vec=     4.976970      3.115717      6.601980   |vec|=    8.835387
                2s
                   +0 :              -0.00170906779851
                2p
                   -1 :               0.00046438037685
                   +0 :              -0.00041452170828
                   +1 :               0.00020925540381
                3s
                   +0 :               0.01419185282321
                4s
                   +0 :              -0.00103878918792
                3p
                   -1 :              -0.00003253901545
                   +0 :               0.00780209091668
                   +1 :               0.00326815916491
                4p
                   -1 :               0.00111286486460
                   +0 :              -0.00033253037317
                   +1 :               0.00077042607820
                3d
                   -2 :               0.00108783605887
                   -1 :               0.00063942161987
                   +0 :               0.00050770990862
                   +1 :               0.00162083341114
                   +2 :               0.00181617775414
              3 vec=     4.976970     -5.868041      6.601980   |vec|=   10.138554
                2s
                   +0 :              -0.00120683827424
                2p
                   -1 :               0.00078085218258
                   +0 :              -0.00045904988921
                   +1 :              -0.00065453191452
                3s
                   +0 :               0.00613981358353
                4s
                   +0 :              -0.00289851151077
                3p
                   -1 :              -0.00501510519892
                   +0 :               0.00424825569599
                   +1 :               0.00412791859973
                4p
                   -1 :               0.00153005296292
                   +0 :              -0.00124757130733
                   +1 :              -0.00151458102650
                3d
                   -2 :              -0.00097706325103
                   -1 :              -0.00049000882477
                   +0 :              -0.00055399962601
                   +1 :               0.00076497736489
                   +2 :              -0.00047005279375
              4 vec=    -2.803193      7.607596      6.601980   |vec|=   10.455599
                2s
                   +0 :               0.00070636148186
                2p
                   -1 :               0.00012196452317
                   +0 :               0.00013428054584
                   +1 :              -0.00012656362052
                3s
                   +0 :              -0.00309825773984
                4s
                   +0 :               0.00075627341828
                3p
                   -1 :              -0.00077240340518
                   +0 :               0.00013622840713
                   +1 :               0.00006982344133
                4p
                   -1 :              -0.00000014209680
                   +0 :               0.00003436320790
                   +1 :              -0.00007260873989
                3d
                   -2 :              -0.00008839514754
                   -1 :              -0.00005755563344
                   +0 :              -0.00055709876443
                   +1 :              -0.00034840915297
                   +2 :               0.00008503359533
              5 vec=    -2.803193    -10.359920      6.601980   |vec|=   12.600475
                2s
                   +0 :               0.00010890442775
                2p
                   -1 :               0.00010281467069
                   +0 :               0.00014102274705
                   +1 :               0.00018027685656
                3s
                   +0 :              -0.00099306093894
                4s
                   +0 :               0.00028255344691
                3p
                   -1 :              -0.00018493375991
                   +0 :              -0.00097184350812
                   +1 :              -0.00094627068070
                4p
                   -1 :               0.00008998705586
                   +0 :               0.00016006573320
                   +1 :               0.00022877233645
                3d
                   -2 :               0.00004297642621
                   -1 :              -0.00003680040456
                   +0 :               0.00002133678673
                   +1 :              -0.00004367918487
                   +2 :               0.00014552670918
              6 vec=   -10.583355      3.115717      6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00010855189058
                2p
                   -1 :              -0.00009139334255
                   +0 :              -0.00006088479140
                   +1 :               0.00015097041917
                3s
                   +0 :              -0.00147822421950
                4s
                   +0 :               0.00005864118523
                3p
                   -1 :               0.00042311418419
                   +0 :              -0.00049927411267
                   +1 :              -0.00036520837187
                4p
                   -1 :              -0.00023421122911
                   +0 :               0.00001253266005
                   +1 :               0.00014101359610
                3d
                   -2 :               0.00004927746157
                   -1 :               0.00004308682797
                   +0 :               0.00009468829304
                   +1 :              -0.00003831394653
                   +2 :              -0.00011268343213
              7 vec=   -10.583355     -5.868041      6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00001392019780
                2p
                   -1 :               0.00020737845640
                   +0 :               0.00024297438896
                   +1 :              -0.00000458906573
                3s
                   +0 :               0.00072459419172
                4s
                   +0 :              -0.00019537417455
                3p
                   -1 :              -0.00094241763780
                   +0 :              -0.00236674842353
                   +1 :              -0.00018106452296
                4p
                   -1 :               0.00017839467446
                   +0 :               0.00040860043432
                   +1 :               0.00001679728181
                3d
                   -2 :               0.00035459590058
                   -1 :              -0.00000678052205
                   +0 :               0.00037378891110
                   +1 :              -0.00018936153611
                   +2 :               0.00018783585648
              8 vec=    12.757133     -1.376162      6.601980   |vec|=   14.429982
                2s
                   +0 :              -0.00024437749576
                2p
                   -1 :              -0.00011085291670
                   +0 :              -0.00014278130407
                   +1 :              -0.00009009213295
                3s
                   +0 :               0.00128159079191
                4s
                   +0 :              -0.00041925094412
                3p
                   -1 :               0.00061358882435
                   +0 :               0.00089264240734
                   +1 :               0.00074517357943
                4p
                   -1 :              -0.00016458363251
                   +0 :              -0.00017100056410
                   +1 :              -0.00016992070792
                3d
                   -2 :               0.00005681766159
                   -1 :               0.00015540355599
                   +0 :               0.00000202167662
                   +1 :               0.00013063914445
                   +2 :              -0.00001523747634
              9 vec=     4.976970     12.099475      6.601980   |vec|=   14.654476
                2s
                   +0 :               0.00008162696922
                2p
                   -1 :               0.00000007775322
                   +0 :               0.00003927250896
                   +1 :               0.00000544836531
                3s
                   +0 :              -0.00029333521098
                4s
                   +0 :               0.00000050054479
                3p
                   -1 :               0.00009505085589
                   +0 :              -0.00022522845806
                   +1 :              -0.00015728472899
                4p
                   -1 :              -0.00005673549179
                   +0 :               0.00001925093412
                   +1 :               0.00001562623404
                3d
                   -2 :              -0.00003139539416
                   -1 :              -0.00001858115911
                   +0 :              -0.00009442805343
                   +1 :              -0.00006644357227
                   +2 :               0.00002476917032
             10 vec=    12.757133      7.607596      6.601980   |vec|=   16.254417
                2s
                   +0 :              -0.00040943083076
                2p
                   -1 :              -0.00007232555521
                   +0 :              -0.00016356171151
                   +1 :              -0.00011596086628
                3s
                   +0 :               0.00168496034007
                4s
                   +0 :              -0.00048261661936
                3p
                   -1 :               0.00040448778091
                   +0 :               0.00095468433363
                   +1 :               0.00057548365631
                4p
                   -1 :              -0.00009422312225
                   +0 :              -0.00022912634091
                   +1 :              -0.00007280487378
                3d
                   -2 :               0.00003614338163
                   -1 :               0.00010486342154
                   +0 :               0.00012060194665
                   +1 :               0.00018590463979
                   +2 :               0.00006748013807
             11 vec=     4.976970    -14.851799      6.601980   |vec|=   16.998009
                2s
                   +0 :              -0.00000071856423
                2p
                   -1 :              -0.00002353211487
                   +0 :               0.00000310628817
                   +1 :              -0.00000905400733
                3s
                   +0 :              -0.00023388048219
                4s
                   +0 :               0.00002092842634
                3p
                   -1 :               0.00023084108327
                   +0 :              -0.00011137462061
                   +1 :               0.00009572722946
                4p
                   -1 :              -0.00005271488628
                   +0 :              -0.00001222664636
                   +1 :              -0.00001578436354
                3d
                   -2 :              -0.00006961190421
                   -1 :               0.00003137421758
                   +0 :               0.00000909615569
                   +1 :               0.00001806803634
                   +2 :               0.00000878380210
             12 vec=   -10.583355     12.099475      6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00010627059289
                2p
                   -1 :              -0.00001614143210
                   +0 :               0.00001570214807
                   +1 :              -0.00002637542721
                3s
                   +0 :              -0.00085974728856
                4s
                   +0 :               0.00016073510364
                3p
                   -1 :               0.00000877180732
                   +0 :              -0.00027780074041
                   +1 :               0.00030825386019
                4p
                   -1 :              -0.00000995878075
                   +0 :               0.00001907335361
                   +1 :              -0.00004683650200
                3d
                   -2 :               0.00000097829903
                   -1 :              -0.00001250885954
                   +0 :              -0.00002570033838
                   +1 :               0.00008360362443
                   +2 :              -0.00008426075271
             13 vec=    12.757133    -10.359920      6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00001432108146
                2p
                   -1 :              -0.00000222995491
                   +0 :               0.00001648260628
                   +1 :              -0.00001808494872
                3s
                   +0 :               0.00002482140724
                4s
                   +0 :              -0.00005175763134
                3p
                   -1 :               0.00003956323553
                   +0 :               0.00006442467258
                   +1 :               0.00014426195094
                4p
                   -1 :              -0.00002262055939
                   +0 :              -0.00002756420597
                   +1 :              -0.00007240911583
                3d
                   -2 :              -0.00000541506599
                   -1 :               0.00002397510570
                   +0 :              -0.00002612246791
                   +1 :              -0.00005716430503
                   +2 :              -0.00000038917922
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al(  2)  npairs=  15
              1 vec=    -2.803193     -1.376162    -10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00047117001744
                2p
                   -1 :               0.00019005482302
                   +0 :               0.00018337704677
                   +1 :               0.00001267888471
                3s
                   +0 :               0.00147079847798
                4s
                   +0 :              -0.00037241982127
                3p
                   -1 :              -0.00128862654793
                   +0 :              -0.00112133991148
                   +1 :              -0.00144695116243
                4p
                   -1 :               0.00021746607702
                   +0 :               0.00030749783605
                   +1 :               0.00013862718300
                3d
                   -2 :               0.00004234877545
                   -1 :               0.00038346229354
                   +0 :              -0.00010495845008
                   +1 :               0.00042900979170
                   +2 :              -0.00004108326184
              2 vec=     4.976970      3.115717    -10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00004363547662
                2p
                   -1 :               0.00005540326843
                   +0 :              -0.00009703352497
                   +1 :               0.00008175965031
                3s
                   +0 :               0.00103394748884
                4s
                   +0 :              -0.00023853435890
                3p
                   -1 :              -0.00047088097974
                   +0 :               0.00043725609344
                   +1 :              -0.00006896129524
                4p
                   -1 :              -0.00009356389052
                   +0 :               0.00000217864754
                   +1 :               0.00011690505581
                3d
                   -2 :              -0.00045722173960
                   -1 :               0.00027614004355
                   +0 :              -0.00039641936222
                   +1 :               0.00011724895302
                   +2 :              -0.00003243579370
              3 vec=     4.976970     -5.868041    -10.693237   |vec|=   13.173817
                2s
                   +0 :              -0.00032405045017
                2p
                   -1 :               0.00026391538357
                   +0 :               0.00015045036651
                   +1 :              -0.00004492439186
                3s
                   +0 :               0.00074542799798
                4s
                   +0 :              -0.00020603026688
                3p
                   -1 :              -0.00114928633651
                   +0 :              -0.00034902668230
                   +1 :              -0.00034544663636
                4p
                   -1 :               0.00030219544171
                   +0 :               0.00009636746316
                   +1 :               0.00014677953390
                3d
                   -2 :               0.00000431530240
                   -1 :               0.00018106937995
                   +0 :               0.00008421975172
                   +1 :               0.00008648883060
                   +2 :              -0.00021461326181
              4 vec=    -2.803193      7.607596    -10.693237   |vec|=   13.419341
                2s
                   +0 :               0.00006644043448
                2p
                   -1 :              -0.00003105703574
                   +0 :               0.00006197269948
                   +1 :              -0.00009206429915
                3s
                   +0 :              -0.00166296112087
                4s
                   +0 :               0.00026981552127
                3p
                   -1 :              -0.00100317365756
                   +0 :               0.00080271510916
                   +1 :               0.00058745729348
                4p
                   -1 :               0.00009823172994
                   +0 :              -0.00001275319850
                   +1 :              -0.00021376885517
                3d
                   -2 :               0.00014503819589
                   -1 :               0.00029509654947
                   +0 :               0.00005356912276
                   +1 :              -0.00010759274625
                   +2 :               0.00031641616343
              5 vec=    -2.803193     -1.376162     13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00012106268699
                2p
                   -1 :               0.00007631446768
                   +0 :              -0.00004616962173
                   +1 :               0.00007196200789
                3s
                   +0 :               0.00026043831827
                4s
                   +0 :              -0.00003985755356
                3p
                   -1 :              -0.00027926548242
                   +0 :               0.00019981474382
                   +1 :               0.00003089597622
                4p
                   -1 :               0.00013475152314
                   +0 :              -0.00002313711322
                   +1 :              -0.00002782222549
                3d
                   -2 :               0.00009749065171
                   -1 :               0.00006589529654
                   +0 :               0.00001539147889
                   +1 :               0.00008102783533
                   +2 :              -0.00001692771587
              6 vec=     4.976970      3.115717     13.854306   |vec|=   15.047249
                2s
                   +0 :               0.00009151813132
                2p
                   -1 :               0.00002832850912
                   +0 :              -0.00003740767487
                   +1 :               0.00005097143286
                3s
                   +0 :              -0.00047107640393
                4s
                   +0 :               0.00000436695444
                3p
                   -1 :              -0.00032688874094
                   +0 :               0.00019772032425
                   +1 :              -0.00038319135352
                4p
                   -1 :               0.00002908754804
                   +0 :              -0.00006880474860
                   +1 :               0.00000284343408
                3d
                   -2 :              -0.00009690766092
                   -1 :               0.00001370390524
                   +0 :               0.00007119713807
                   +1 :               0.00005059865172
                   +2 :              -0.00003719684783
              7 vec=    -2.803193    -10.359920    -10.693237   |vec|=   15.150285
                2s
                   +0 :              -0.00006473732998
                2p
                   -1 :               0.00004853717882
                   +0 :               0.00006680922821
                   +1 :              -0.00002770677288
                3s
                   +0 :               0.00024613471096
                4s
                   +0 :              -0.00016117384007
                3p
                   -1 :              -0.00039240982871
                   +0 :              -0.00047441320942
                   +1 :               0.00022417786206
                4p
                   -1 :               0.00012743544182
                   +0 :               0.00010481256111
                   +1 :              -0.00004532959197
                3d
                   -2 :               0.00000527995226
                   -1 :               0.00013261706669
                   +0 :               0.00011432675317
                   +1 :              -0.00003250835112
                   +2 :              -0.00011933672278
              8 vec=   -10.583355      3.115717    -10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00015792853905
                2p
                   -1 :              -0.00000530897542
                   +0 :               0.00000915292364
                   +1 :              -0.00001322633326
                3s
                   +0 :              -0.00098314872279
                4s
                   +0 :               0.00012817767317
                3p
                   -1 :               0.00005958622978
                   +0 :              -0.00005288163510
                   +1 :               0.00005302366205
                4p
                   -1 :              -0.00004681885869
                   +0 :               0.00004766692184
                   +1 :               0.00003388467177
                3d
                   -2 :              -0.00011254573210
                   -1 :              -0.00001445177391
                   +0 :               0.00005268656227
                   +1 :               0.00004018076703
                   +2 :               0.00007432663797
              9 vec=     4.976970     -5.868041     13.854306   |vec|=   15.847584
                2s
                   +0 :               0.00014926200482
                2p
                   -1 :              -0.00004612528085
                   +0 :               0.00010391828278
                   +1 :              -0.00000241251104
                3s
                   +0 :              -0.00077217098900
                4s
                   +0 :               0.00021296156320
                3p
                   -1 :               0.00018172418932
                   +0 :              -0.00087256301566
                   +1 :               0.00002579338205
                4p
                   -1 :              -0.00006763623518
                   +0 :               0.00024273128143
                   +1 :              -0.00005539827704
                3d
                   -2 :               0.00002312906058
                   -1 :               0.00000257516977
                   +0 :              -0.00019243299653
                   +1 :              -0.00003824792379
                   +2 :              -0.00011508165719
             10 vec=    -2.803193      7.607596     13.854306   |vec|=   16.052264
                2s
                   +0 :               0.00010572708548
                2p
                   -1 :               0.00003085119284
                   +0 :               0.00005194781633
                   +1 :               0.00002382973872
                3s
                   +0 :              -0.00034603281581
                4s
                   +0 :               0.00017869150611
                3p
                   -1 :              -0.00005383880577
                   +0 :              -0.00047150114660
                   +1 :              -0.00034580449456
                4p
                   -1 :              -0.00000166389105
                   +0 :               0.00012608056058
                   +1 :               0.00006204459828
                3d
                   -2 :              -0.00000799299510
                   -1 :              -0.00003857999296
                   +0 :              -0.00018258995490
                   +1 :               0.00000824370551
                   +2 :               0.00006542991999
             11 vec=   -10.583355     -5.868041    -10.693237   |vec|=   16.148889
                2s
                   +0 :              -0.00017795677114
                2p
                   -1 :               0.00002524887302
                   +0 :               0.00008826709191
                   +1 :               0.00009537587713
                3s
                   +0 :               0.00032359698808
                4s
                   +0 :              -0.00017043000435
                3p
                   -1 :              -0.00009400989492
                   +0 :              -0.00042656261699
                   +1 :              -0.00038932722323
                4p
                   -1 :               0.00001431988390
                   +0 :               0.00011808760025
                   +1 :               0.00008036620444
                3d
                   -2 :              -0.00000449871662
                   -1 :               0.00004674399045
                   +0 :               0.00000415299994
                   +1 :               0.00007144146849
                   +2 :               0.00002425836094
             12 vec=    12.757133     -1.376162    -10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00000816448903
                2p
                   -1 :              -0.00001564199951
                   +0 :              -0.00005005740374
                   +1 :               0.00003462685205
                3s
                   +0 :               0.00043953235291
                4s
                   +0 :               0.00004292005998
                3p
                   -1 :              -0.00001029342484
                   +0 :               0.00009982112117
                   +1 :              -0.00009386210345
                4p
                   -1 :              -0.00002200033831
                   +0 :              -0.00009501427311
                   +1 :               0.00005802984554
                3d
                   -2 :              -0.00008823666043
                   -1 :              -0.00000038366241
                   +0 :              -0.00003508956903
                   +1 :               0.00000886197816
                   +2 :               0.00000528688356
             13 vec=     4.976970     12.099475    -10.693237   |vec|=   16.897125
                2s
                   +0 :              -0.00011848301851
                2p
                   -1 :              -0.00005027973130
                   +0 :               0.00003542408471
                   +1 :              -0.00001672077233
                3s
                   +0 :               0.00060680628840
                4s
                   +0 :              -0.00012004261153
                3p
                   -1 :               0.00026413872031
                   +0 :              -0.00025767142037
                   +1 :               0.00006919119405
                4p
                   -1 :              -0.00005008677033
                   +0 :               0.00002917404752
                   +1 :              -0.00004813747587
                3d
                   -2 :               0.00005279774715
                   -1 :              -0.00007032736841
                   +0 :               0.00004743239237
                   +1 :               0.00000533676428
                   +2 :              -0.00001700020911
             14 vec=    -2.803193    -10.359920     13.854306   |vec|=   17.525057
                2s
                   +0 :               0.00009182724125
                2p
                   -1 :              -0.00003698487516
                   +0 :               0.00000949900364
                   +1 :               0.00003535036055
                3s
                   +0 :              -0.00043427773227
                4s
                   +0 :               0.00005516486056
                3p
                   -1 :               0.00031014508685
                   +0 :              -0.00005026534294
                   +1 :              -0.00007958553292
                4p
                   -1 :              -0.00006126846970
                   +0 :              -0.00000915765547
                   +1 :               0.00010649197999
                3d
                   -2 :              -0.00000638887055
                   -1 :               0.00002714198344
                   +0 :               0.00002444333590
                   +1 :               0.00002229084949
                   +2 :               0.00009576996312
             15 vec=   -10.583355      3.115717     13.854306   |vec|=   17.710361
                2s
                   +0 :              -0.00008730292253
                2p
                   -1 :              -0.00000238924189
                   +0 :               0.00000107098900
                   +1 :               0.00004471938694
                3s
                   +0 :               0.00054254996921
                4s
                   +0 :              -0.00003792189674
                3p
                   -1 :               0.00018248442079
                   +0 :               0.00000254447563
                   +1 :              -0.00031230879711
                4p
                   -1 :               0.00005100232464
                   +0 :              -0.00000563238536
                   +1 :               0.00005688281026
                3d
                   -2 :              -0.00014315159862
                   -1 :               0.00002322494966
                   +0 :              -0.00003291289916
                   +1 :               0.00000787760479
                   +2 :               0.00001145008144
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Cr(  3)  npairs=  14
              1 vec=    -2.803193     -1.376162      1.580534   |vec|=    3.499971
                3s
                   +0 :               0.08017223936022
                3p
                   -1 :              -0.04897990118489
                   +0 :               0.06144048203393
                   +1 :              -0.07806832339433
                4s
                   +0 :               0.02833876261267
                5s
                   +0 :               0.00770229233951
                3d
                   -2 :               0.03424199795372
                   -1 :              -0.03096293125522
                   +0 :               0.00673172043867
                   +1 :              -0.04724878529653
                   +2 :               0.00277209089900
                4d
                   -2 :               0.00302815705692
                   -1 :              -0.00583359442633
                   +0 :               0.00217650316025
                   +1 :              -0.00437434946256
                   +2 :               0.00128191736654
                4p
                   -1 :              -0.01940205111578
                   +0 :               0.01636796921279
                   +1 :              -0.02203385662867
              2 vec=     4.976970      3.115717      1.580534   |vec|=    6.080790
                3s
                   +0 :               0.00744749621389
                3p
                   -1 :               0.00277792515212
                   +0 :               0.00137988045589
                   +1 :               0.00393749403283
                4s
                   +0 :              -0.01250231457489
                5s
                   +0 :               0.00249428888133
                3d
                   -2 :              -0.00151634797166
                   -1 :              -0.00259839770503
                   +0 :               0.00192326538195
                   +1 :               0.00047500484091
                   +2 :              -0.00425070045562
                4d
                   -2 :              -0.00287616142287
                   -1 :              -0.00057727449103
                   +0 :               0.00230250807800
                   +1 :              -0.00289497313844
                   +2 :              -0.00326533027559
                4p
                   -1 :              -0.00174705246766
                   +0 :              -0.00299668514819
                   +1 :              -0.00731518185012
              3 vec=     4.976970     -5.868041      1.580534   |vec|=    7.855076
                3s
                   +0 :              -0.00079177481196
                3p
                   -1 :              -0.00094647690506
                   +0 :              -0.00110951769819
                   +1 :              -0.00047928278656
                4s
                   +0 :              -0.00061844008817
                5s
                   +0 :              -0.00016041245483
                3d
                   -2 :              -0.00111302945580
                   -1 :              -0.00074232644959
                   +0 :              -0.00138590141895
                   +1 :              -0.00411292958442
                   +2 :              -0.00548259054123
                4d
                   -2 :              -0.00114978913173
                   -1 :              -0.00037452959952
                   +0 :              -0.00016008358871
                   +1 :               0.00098496011278
                   +2 :              -0.00034259802208
                4p
                   -1 :              -0.00184118841162
                   +0 :               0.00033645903495
                   +1 :               0.00030419355460
              4 vec=    -2.803193      7.607596      1.580534   |vec|=    8.260236
                3s
                   +0 :               0.00103818680994
                3p
                   -1 :               0.00097065156247
                   +0 :               0.00069636782768
                   +1 :              -0.00020979738820
                4s
                   +0 :               0.00116949386597
                5s
                   +0 :               0.00008738597487
                3d
                   -2 :               0.00123035641708
                   -1 :               0.00258762023453
                   +0 :               0.00044000271508
                   +1 :               0.00035270414632
                   +2 :              -0.00054930250190
                4d
                   -2 :               0.00040352628545
                   -1 :               0.00006385146570
                   +0 :               0.00011087901775
                   +1 :               0.00062593888723
                   +2 :               0.00034190644432
                4p
                   -1 :              -0.00032453890127
                   +0 :               0.00047557530100
                   +1 :               0.00196320595208
              5 vec=    -2.803193    -10.359920      1.580534   |vec|=   10.848222
                3s
                   +0 :              -0.00047467851478
                3p
                   -1 :               0.00039308912636
                   +0 :               0.00020892940445
                   +1 :               0.00065031686024
                4s
                   +0 :               0.00097207920430
                5s
                   +0 :              -0.00006101504674
                3d
                   -2 :              -0.00084501018205
                   -1 :              -0.00008944701454
                   +0 :              -0.00068912778219
                   +1 :               0.00148545297488
                   +2 :              -0.00079624875133
                4d
                   -2 :               0.00076781278284
                   -1 :              -0.00025179667705
                   +0 :               0.00010607244796
                   +1 :              -0.00027250578889
                   +2 :              -0.00041980755137
                4p
                   -1 :              -0.00095440167407
                   +0 :              -0.00005473766507
                   +1 :               0.00006889915332
              6 vec=   -10.583355      3.115717      1.580534   |vec|=   11.145097
                3s
                   +0 :               0.00004907755513
                3p
                   -1 :              -0.00024756612522
                   +0 :              -0.00000735287670
                   +1 :              -0.00043186131329
                4s
                   +0 :               0.00171790714447
                5s
                   +0 :              -0.00032098384135
                3d
                   -2 :              -0.00013059183719
                   -1 :              -0.00024886527584
                   +0 :              -0.00038422432921
                   +1 :              -0.00065349793632
                   +2 :               0.00077281154672
                4d
                   -2 :              -0.00078562880985
                   -1 :               0.00057126667960
                   +0 :               0.00000919089156
                   +1 :              -0.00020725822661
                   +2 :              -0.00053581999773
                4p
                   -1 :               0.00091122412992
                   +0 :               0.00078897920611
                   +1 :              -0.00021956353726
              7 vec=   -10.583355     -5.868041      1.580534   |vec|=   12.204073
                3s
                   +0 :              -0.00028413527432
                3p
                   -1 :               0.00000656568017
                   +0 :               0.00015180464255
                   +1 :               0.00013832873895
                4s
                   +0 :               0.00047394186621
                5s
                   +0 :              -0.00004073566228
                3d
                   -2 :               0.00050140460352
                   -1 :              -0.00025975353869
                   +0 :               0.00010511549052
                   +1 :              -0.00003279882172
                   +2 :              -0.00000877870143
                4d
                   -2 :               0.00005974184039
                   -1 :              -0.00008037180635
                   +0 :              -0.00010589533222
                   +1 :              -0.00001605675213
                   +2 :               0.00022149924002
                4p
                   -1 :              -0.00025110699117
                   +0 :              -0.00003958684654
                   +1 :              -0.00054903244002
              8 vec=    12.757133     -1.376162      1.580534   |vec|=   12.928122
                3s
                   +0 :              -0.00009163539267
                3p
                   -1 :               0.00048711918645
                   +0 :              -0.00044003435645
                   +1 :              -0.00037529287298
                4s
                   +0 :              -0.00141828357983
                5s
                   +0 :              -0.00000926517440
                3d
                   -2 :               0.00150759481195
                   -1 :               0.00147559447017
                   +0 :              -0.00018825417120
                   +1 :              -0.00119886703205
                   +2 :               0.00090016448457
                4d
                   -2 :               0.00007823945211
                   -1 :               0.00028050510112
                   +0 :              -0.00013407503463
                   +1 :              -0.00020260023330
                   +2 :               0.00024966237278
                4p
                   -1 :               0.00052612304299
                   +0 :              -0.00052472329319
                   +1 :              -0.00008709139827
              9 vec=     4.976970     12.099475      1.580534   |vec|=   13.178225
                3s
                   +0 :              -0.00035361790773
                3p
                   -1 :              -0.00023974140800
                   +0 :              -0.00020577298891
                   +1 :               0.00006537822341
                4s
                   +0 :              -0.00019813706584
                5s
                   +0 :               0.00000531671738
                3d
                   -2 :               0.00044765256845
                   -1 :              -0.00093610598948
                   +0 :              -0.00022361647826
                   +1 :               0.00015086424086
                   +2 :               0.00048088785707
                4d
                   -2 :              -0.00000717146950
                   -1 :              -0.00007340539984
                   +0 :               0.00001528785266
                   +1 :              -0.00005987647408
                   +2 :               0.00014903629160
                4p
                   -1 :              -0.00027366612512
                   +0 :              -0.00026678113430
                   +1 :               0.00011097014151
             10 vec=    12.757133      7.607596      1.580534   |vec|=   14.937136
                3s
                   +0 :               0.00020539814837
                3p
                   -1 :              -0.00007811451827
                   +0 :              -0.00016942891156
                   +1 :               0.00004665035991
                4s
                   +0 :              -0.00076526595106
                5s
                   +0 :               0.00001703856559
                3d
                   -2 :              -0.00002560514086
                   -1 :              -0.00049846034959
                   +0 :              -0.00013033461939
                   +1 :              -0.00015019173186
                   +2 :               0.00037625558128
                4d
                   -2 :               0.00002378272035
                   -1 :               0.00004335877623
                   +0 :               0.00002120569231
                   +1 :               0.00012948506387
                   +2 :              -0.00006601383688
                4p
                   -1 :              -0.00004319356533
                   +0 :               0.00010251647618
                   +1 :              -0.00013120753386
             11 vec=     4.976970    -14.851799      1.580534   |vec|=   15.743070
                3s
                   +0 :               0.00011720607902
                3p
                   -1 :              -0.00005637982871
                   +0 :               0.00002842737779
                   +1 :               0.00011615714521
                4s
                   +0 :              -0.00014310026029
                5s
                   +0 :               0.00002477032702
                3d
                   -2 :               0.00002074987265
                   -1 :               0.00007817534000
                   +0 :               0.00007240674993
                   +1 :               0.00010168794624
                   +2 :               0.00007802965289
                4d
                   -2 :               0.00001945288346
                   -1 :               0.00011482906390
                   +0 :               0.00002391880620
                   +1 :              -0.00002365407521
                   +2 :              -0.00003469712742
                4p
                   -1 :               0.00010525373651
                   +0 :              -0.00013617422909
                   +1 :              -0.00017069932580
             12 vec=   -10.583355     12.099475      1.580534   |vec|=   16.152486
                3s
                   +0 :              -0.00008064981433
                3p
                   -1 :              -0.00002790860211
                   +0 :               0.00000661492015
                   +1 :              -0.00001969329813
                4s
                   +0 :               0.00050287690337
                5s
                   +0 :              -0.00001869900136
                3d
                   -2 :               0.00008270848373
                   -1 :               0.00011794870190
                   +0 :               0.00002287213703
                   +1 :               0.00016230628725
                   +2 :              -0.00002041671876
                4d
                   -2 :              -0.00001001003516
                   -1 :               0.00007504614999
                   +0 :               0.00001460925739
                   +1 :               0.00002821157022
                   +2 :              -0.00008656905717
                4p
                   -1 :               0.00018518835454
                   +0 :               0.00005394404332
                   +1 :               0.00009340782644
             13 vec=    12.757133    -10.359920      1.580534   |vec|=   16.509708
                3s
                   +0 :               0.00004547291840
                3p
                   -1 :               0.00005704605249
                   +0 :              -0.00000647919174
                   +1 :              -0.00001419928087
                4s
                   +0 :              -0.00028417323262
                5s
                   +0 :               0.00000532984505
                3d
                   -2 :               0.00021697622969
                   -1 :               0.00011692958589
                   +0 :              -0.00008301557352
                   +1 :              -0.00040569969512
                   +2 :              -0.00021331429443
                4d
                   -2 :               0.00001635045409
                   -1 :               0.00000495929954
                   +0 :              -0.00001673536412
                   +1 :              -0.00013233734802
                   +2 :               0.00000862923899
                4p
                   -1 :              -0.00003777026639
                   +0 :              -0.00016462060140
                   +1 :              -0.00012231741745
             14 vec=    -2.803193     16.591354      1.580534   |vec|=   16.900562
                3s
                   +0 :               0.00001965396923
                3p
                   -1 :               0.00001684493437
                   +0 :               0.00002486754620
                   +1 :               0.00003943783671
                4s
                   +0 :               0.00001990160570
                5s
                   +0 :              -0.00001990700787
                3d
                   -2 :              -0.00011147784519
                   -1 :              -0.00001524424568
                   +0 :               0.00001695018054
                   +1 :              -0.00007698684886
                   +2 :              -0.00000092908145
                4d
                   -2 :              -0.00003092221039
                   -1 :              -0.00002615639330
                   +0 :              -0.00000453441237
                   +1 :              -0.00002577937325
                   +2 :              -0.00000336581574
                4p
                   -1 :              -0.00000849739995
                   +0 :              -0.00005974131835
                   +1 :              -0.00010464161647
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al(  4)  npairs=  14
              1 vec=    -2.803193     -1.376162     -5.671791   |vec|=    6.474637
                2s
                   +0 :               0.00206450608692
                2p
                   -1 :              -0.00039918781152
                   +0 :              -0.00155317679170
                   +1 :              -0.00046719141473
                3s
                   +0 :              -0.00561018621030
                4s
                   +0 :               0.00291845456319
                3p
                   -1 :               0.00243735089632
                   +0 :               0.00984080293010
                   +1 :               0.00098610957412
                4p
                   -1 :              -0.00056999294105
                   +0 :              -0.00385972664807
                   +1 :               0.00005446939909
                3d
                   -2 :              -0.00028955755234
                   -1 :              -0.00003322448884
                   +0 :              -0.00301168133021
                   +1 :              -0.00162416078417
                   +2 :              -0.00158584051399
              2 vec=     4.976970      3.115717     -5.671791   |vec|=    8.163770
                2s
                   +0 :              -0.00018388506357
                2p
                   -1 :               0.00047462038972
                   +0 :               0.00061035546468
                   +1 :               0.00001559708079
                3s
                   +0 :               0.00916419573283
                4s
                   +0 :               0.00039768332889
                3p
                   -1 :              -0.00131117555878
                   +0 :              -0.00169674435231
                   +1 :               0.00559915388932
                4p
                   -1 :               0.00119518099274
                   +0 :               0.00095606243177
                   +1 :               0.00030761777059
                3d
                   -2 :               0.00096074502691
                   -1 :               0.00102062455820
                   +0 :              -0.00217843025896
                   +1 :               0.00004483605715
                   +2 :               0.00262273872634
              3 vec=     4.976970     -5.868041     -5.671791   |vec|=    9.558941
                2s
                   +0 :              -0.00027339056431
                2p
                   -1 :               0.00054397699249
                   +0 :               0.00003707334489
                   +1 :              -0.00085157840570
                3s
                   +0 :               0.00248314214259
                4s
                   +0 :              -0.00092335158442
                3p
                   -1 :              -0.00281144513133
                   +0 :              -0.00025167629300
                   +1 :               0.00553914295749
                4p
                   -1 :               0.00066975732298
                   +0 :               0.00002398442408
                   +1 :              -0.00169434394311
                3d
                   -2 :              -0.00069640531145
                   -1 :               0.00032291063935
                   +0 :              -0.00009677850125
                   +1 :              -0.00090647318152
                   +2 :              -0.00022750678181
              4 vec=    -2.803193      7.607596     -5.671791   |vec|=    9.894576
                2s
                   +0 :              -0.00113465918620
                2p
                   -1 :              -0.00052856282515
                   +0 :               0.00029887655522
                   +1 :               0.00050244152131
                3s
                   +0 :               0.00326146079624
                4s
                   +0 :              -0.00108358628533
                3p
                   -1 :               0.00236900656401
                   +0 :              -0.00087962511736
                   +1 :              -0.00268912765985
                4p
                   -1 :              -0.00082383788293
                   +0 :               0.00000668232099
                   +1 :               0.00062058660785
                3d
                   -2 :              -0.00051971826540
                   -1 :              -0.00035729635262
                   +0 :              -0.00017981603526
                   +1 :               0.00061731171789
                   +2 :               0.00032738113017
              5 vec=    -2.803193    -10.359920     -5.671791   |vec|=   12.138989
                2s
                   +0 :              -0.00003762618158
                2p
                   -1 :               0.00006794151299
                   +0 :              -0.00012826880980
                   +1 :              -0.00014802573283
                3s
                   +0 :              -0.00104927624864
                4s
                   +0 :               0.00018267411755
                3p
                   -1 :               0.00021570724210
                   +0 :               0.00025814967920
                   +1 :               0.00124624124821
                4p
                   -1 :              -0.00007778883596
                   +0 :              -0.00020123600214
                   +1 :              -0.00034472225836
                3d
                   -2 :              -0.00037239212481
                   -1 :               0.00017594349555
                   +0 :               0.00007307481044
                   +1 :              -0.00019667100902
                   +2 :               0.00003299043886
              6 vec=   -10.583355      3.115717     -5.671791   |vec|=   12.405012
                2s
                   +0 :               0.00007307933179
                2p
                   -1 :               0.00009429163940
                   +0 :               0.00004517261484
                   +1 :               0.00017523921338
                3s
                   +0 :              -0.00288084754053
                4s
                   +0 :               0.00000681590391
                3p
                   -1 :              -0.00158669833786
                   +0 :              -0.00011754483423
                   +1 :               0.00041810183752
                4p
                   -1 :               0.00012423605812
                   +0 :              -0.00008960340469
                   +1 :               0.00023158424149
                3d
                   -2 :               0.00044003288173
                   -1 :               0.00001251154214
                   +0 :               0.00032750601649
                   +1 :               0.00035287407714
                   +2 :               0.00012013233211
              7 vec=   -10.583355     -5.868041     -5.671791   |vec|=   13.364525
                2s
                   +0 :              -0.00025369968169
                2p
                   -1 :              -0.00003767923857
                   +0 :               0.00004000849357
                   +1 :               0.00005148996921
                3s
                   +0 :               0.00024183362339
                4s
                   +0 :              -0.00014631234616
                3p
                   -1 :               0.00022724597758
                   +0 :              -0.00008732525833
                   +1 :              -0.00022280406750
                4p
                   -1 :              -0.00003662022816
                   +0 :              -0.00005094981988
                   +1 :               0.00001456728504
                3d
                   -2 :              -0.00014277042184
                   -1 :               0.00001892516641
                   +0 :              -0.00003393643021
                   +1 :              -0.00002569130494
                   +2 :               0.00004871816359
              8 vec=    12.757133     -1.376162     -5.671791   |vec|=   14.028809
                2s
                   +0 :               0.00018054059657
                2p
                   -1 :               0.00000952365557
                   +0 :              -0.00005410671402
                   +1 :               0.00017251416600
                3s
                   +0 :               0.00029731649935
                4s
                   +0 :              -0.00005771808196
                3p
                   -1 :               0.00021512934689
                   +0 :               0.00014566811740
                   +1 :              -0.00039907320356
                4p
                   -1 :              -0.00006692432805
                   +0 :              -0.00002047040144
                   +1 :               0.00006581084832
                3d
                   -2 :               0.00001368829276
                   -1 :              -0.00004258235267
                   +0 :               0.00005469710709
                   +1 :               0.00021026841013
                   +2 :              -0.00015232355479
              9 vec=     4.976970     12.099475     -5.671791   |vec|=   14.259619
                2s
                   +0 :              -0.00017534119719
                2p
                   -1 :               0.00000102281537
                   +0 :              -0.00001164522615
                   +1 :               0.00006202520708
                3s
                   +0 :               0.00098394459045
                4s
                   +0 :              -0.00027734165559
                3p
                   -1 :               0.00019522816010
                   +0 :               0.00006996135191
                   +1 :              -0.00045354186494
                4p
                   -1 :              -0.00008073715047
                   +0 :               0.00004762170458
                   +1 :               0.00007353489100
                3d
                   -2 :              -0.00019903666852
                   -1 :               0.00013584857774
                   +0 :               0.00003257582830
                   +1 :              -0.00000537703646
                   +2 :               0.00003461270076
             10 vec=    12.757133      7.607596     -5.671791   |vec|=   15.899345
                2s
                   +0 :              -0.00005403031776
                2p
                   -1 :               0.00000032966974
                   +0 :               0.00003541669189
                   +1 :               0.00001781611752
                3s
                   +0 :               0.00025636004976
                4s
                   +0 :               0.00002414608052
                3p
                   -1 :              -0.00003007319867
                   +0 :              -0.00025420988649
                   +1 :              -0.00017998839245
                4p
                   -1 :               0.00000193637117
                   +0 :               0.00006245150996
                   +1 :               0.00007082418948
                3d
                   -2 :              -0.00004240010999
                   -1 :               0.00000089112189
                   +0 :               0.00004461409644
                   +1 :               0.00001268024670
                   +2 :              -0.00002362812328
             11 vec=     4.976970    -14.851799     -5.671791   |vec|=   16.658793
                2s
                   +0 :               0.00001377354219
                2p
                   -1 :              -0.00005435845866
                   +0 :              -0.00005320605089
                   +1 :               0.00002102247850
                3s
                   +0 :               0.00000392814030
                4s
                   +0 :              -0.00000347803706
                3p
                   -1 :               0.00015094080698
                   +0 :               0.00022440514051
                   +1 :              -0.00016957000832
                4p
                   -1 :              -0.00005056956521
                   +0 :              -0.00004245598610
                   +1 :               0.00001184331415
                3d
                   -2 :               0.00005196492569
                   -1 :              -0.00009770398238
                   +0 :              -0.00002376013092
                   +1 :               0.00002647618647
                   +2 :               0.00005751782569
             12 vec=   -10.583355     12.099475     -5.671791   |vec|=   17.046229
                2s
                   +0 :               0.00000274569404
                2p
                   -1 :              -0.00000882929831
                   +0 :               0.00000794747897
                   +1 :               0.00004950388620
                3s
                   +0 :              -0.00049711078497
                4s
                   +0 :              -0.00000012544743
                3p
                   -1 :              -0.00004891760010
                   +0 :               0.00004898275238
                   +1 :              -0.00011227168659
                4p
                   -1 :              -0.00001903539364
                   +0 :              -0.00001880296944
                   +1 :               0.00006841327790
                3d
                   -2 :              -0.00002650306819
                   -1 :              -0.00002308770772
                   +0 :              -0.00001585165581
                   +1 :               0.00001547836688
                   +2 :              -0.00001902117021
             13 vec=    12.757133    -10.359920     -5.671791   |vec|=   17.385097
                2s
                   +0 :              -0.00003478445633
                2p
                   -1 :               0.00002214030506
                   +0 :               0.00000504132058
                   +1 :              -0.00001384639002
                3s
                   +0 :               0.00032030234609
                4s
                   +0 :              -0.00009839806755
                3p
                   -1 :              -0.00017399220307
                   +0 :              -0.00007797015852
                   +1 :               0.00009058346533
                4p
                   -1 :               0.00003541447152
                   +0 :               0.00003112968216
                   +1 :              -0.00004743676768
                3d
                   -2 :              -0.00000396531129
                   -1 :               0.00003128936120
                   +0 :               0.00003925882208
                   +1 :               0.00000990899174
                   +2 :              -0.00000845507610
             14 vec=    -2.803193     16.591354     -5.671791   |vec|=   17.756693
                2s
                   +0 :               0.00001827269771
                2p
                   -1 :              -0.00000419936830
                   +0 :              -0.00000173538240
                   +1 :              -0.00001320506988
                3s
                   +0 :              -0.00002794030869
                4s
                   +0 :              -0.00001672368194
                3p
                   -1 :               0.00007792795659
                   +0 :               0.00000434165514
                   +1 :              -0.00001603262112
                4p
                   -1 :              -0.00003268798295
                   +0 :               0.00000865997776
                   +1 :              -0.00000365801054
                3d
                   -2 :              -0.00003390807643
                   -1 :               0.00000069612540
                   +0 :              -0.00000025454243
                   +1 :               0.00001446486228
                   +2 :              -0.00001887594794
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al(  5)  npairs=  13
              1 vec=     2.383582     -1.376162     -9.763130   |vec|=   10.143668
                2s
                   +0 :              -0.00044678138518
                2p
                   -1 :              -0.00006159680973
                   +0 :               0.00016587236522
                   +1 :              -0.00009691257905
                3s
                   +0 :               0.00150803307283
                4s
                   +0 :              -0.00045470920579
                3p
                   -1 :               0.00058364049049
                   +0 :              -0.00082836976844
                   +1 :              -0.00076809152445
                4p
                   -1 :              -0.00021945574210
                   +0 :               0.00030444615666
                   +1 :               0.00002156319446
                3d
                   -2 :              -0.00020487263922
                   -1 :              -0.00002317818491
                   +0 :              -0.00003633998213
                   +1 :               0.00012682703346
                   +2 :               0.00047927226017
              2 vec=    -5.396580      3.115717     -9.763130   |vec|=   11.582292
                2s
                   +0 :               0.00024568259189
                2p
                   -1 :              -0.00000863373998
                   +0 :              -0.00018338484449
                   +1 :               0.00011330188513
                3s
                   +0 :              -0.00163174760801
                4s
                   +0 :               0.00073106278355
                3p
                   -1 :              -0.00020178937821
                   +0 :               0.00157797373172
                   +1 :              -0.00069330195275
                4p
                   -1 :               0.00017353766039
                   +0 :              -0.00050422532514
                   +1 :               0.00021819636937
                3d
                   -2 :              -0.00024276593269
                   -1 :               0.00019437456728
                   +0 :              -0.00041457044980
                   +1 :              -0.00000522147954
                   +2 :              -0.00024512952916
              3 vec=    -5.396580     -5.868041     -9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00018968091928
                2p
                   -1 :               0.00013029333787
                   +0 :               0.00000893284845
                   +1 :              -0.00008667302026
                3s
                   +0 :              -0.00069588834818
                4s
                   +0 :               0.00029219265682
                3p
                   -1 :              -0.00094601525603
                   +0 :              -0.00010272772801
                   +1 :               0.00029009258388
                4p
                   -1 :               0.00035340518129
                   +0 :              -0.00000598971411
                   +1 :              -0.00019878770564
                3d
                   -2 :               0.00018762049587
                   -1 :               0.00015657801781
                   +0 :               0.00003435055348
                   +1 :               0.00021032212201
                   +2 :               0.00009084590072
              4 vec=     2.383582      7.607596     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00013504960205
                2p
                   -1 :               0.00012366631864
                   +0 :              -0.00001053120596
                   +1 :              -0.00008001430425
                3s
                   +0 :               0.00375188364617
                4s
                   +0 :              -0.00037483667894
                3p
                   -1 :               0.00224252262150
                   +0 :              -0.00077079305432
                   +1 :               0.00017627336745
                4p
                   -1 :              -0.00007567374770
                   +0 :               0.00015871597362
                   +1 :              -0.00015382782964
                3d
                   -2 :              -0.00016106802640
                   -1 :              -0.00020231194804
                   +0 :              -0.00038286034125
                   +1 :              -0.00010148487527
                   +2 :              -0.00049701349234
              5 vec=     2.383582    -10.359920     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00001653516715
                2p
                   -1 :               0.00007005915128
                   +0 :              -0.00000598761819
                   +1 :               0.00015648078537
                3s
                   +0 :              -0.00043440087291
                4s
                   +0 :              -0.00014921500073
                3p
                   -1 :              -0.00041636069792
                   +0 :               0.00009980259191
                   +1 :              -0.00120616916327
                4p
                   -1 :               0.00020898522854
                   +0 :              -0.00001397877518
                   +1 :               0.00013931143077
                3d
                   -2 :               0.00024160729034
                   -1 :               0.00005557245035
                   +0 :               0.00008394418071
                   +1 :               0.00022317210869
                   +2 :              -0.00017470783110
              6 vec=    10.163745      3.115717     -9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00026327158020
                2p
                   -1 :              -0.00006816127292
                   +0 :               0.00008410810914
                   +1 :              -0.00001410434878
                3s
                   +0 :               0.00113642634402
                4s
                   +0 :              -0.00026582732177
                3p
                   -1 :               0.00020719334291
                   +0 :              -0.00051329551639
                   +1 :               0.00011591913907
                4p
                   -1 :              -0.00005172584282
                   +0 :               0.00014620034741
                   +1 :               0.00002736536578
                3d
                   -2 :              -0.00003889911251
                   -1 :              -0.00007257072859
                   +0 :               0.00000645076140
                   +1 :              -0.00001201183603
                   +2 :              -0.00009509341491
              7 vec=     2.383582     -1.376162     14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00014272522953
                2p
                   -1 :               0.00002434774416
                   +0 :               0.00003348917046
                   +1 :              -0.00004194769569
                3s
                   +0 :              -0.00046099030571
                4s
                   +0 :               0.00017628316107
                3p
                   -1 :              -0.00000181927210
                   +0 :              -0.00000452444707
                   +1 :               0.00042061886658
                4p
                   -1 :               0.00004110690618
                   +0 :               0.00002885230864
                   +1 :              -0.00002988088992
                3d
                   -2 :              -0.00003932510276
                   -1 :              -0.00003171608071
                   +0 :               0.00007332874659
                   +1 :               0.00009450485846
                   +2 :               0.00009215017393
              8 vec=    10.163745     -5.868041     -9.763130   |vec|=   15.266117
                2s
                   +0 :               0.00023555622845
                2p
                   -1 :              -0.00001979997538
                   +0 :              -0.00012152878007
                   +1 :               0.00014544588045
                3s
                   +0 :              -0.00057068606148
                4s
                   +0 :               0.00017274116364
                3p
                   -1 :               0.00003402135459
                   +0 :               0.00050002102958
                   +1 :              -0.00076171317187
                4p
                   -1 :               0.00006872255804
                   +0 :              -0.00008244431023
                   +1 :               0.00020451943293
                3d
                   -2 :               0.00009815343378
                   -1 :              -0.00013434266183
                   +0 :               0.00000391845333
                   +1 :               0.00022920186324
                   +2 :              -0.00010966691584
              9 vec=    -5.396580      3.115717     14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00000794240916
                2p
                   -1 :              -0.00005876648473
                   +0 :              -0.00000353990940
                   +1 :              -0.00002971622351
                3s
                   +0 :              -0.00042928293316
                4s
                   +0 :               0.00010479733845
                3p
                   -1 :               0.00039165163004
                   +0 :              -0.00024497008341
                   +1 :               0.00003907294351
                4p
                   -1 :              -0.00005686132059
                   +0 :               0.00003304531945
                   +1 :              -0.00000930022365
                3d
                   -2 :               0.00007020890172
                   -1 :              -0.00000261263189
                   +0 :              -0.00005941174471
                   +1 :              -0.00001167897219
                   +2 :               0.00010828892868
             10 vec=   -13.176743     -1.376162     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00010205869819
                2p
                   -1 :               0.00002130440677
                   +0 :              -0.00001252621963
                   +1 :               0.00000799281550
                3s
                   +0 :              -0.00143530225610
                4s
                   +0 :               0.00016317504257
                3p
                   -1 :               0.00025755966081
                   +0 :               0.00028967898369
                   +1 :               0.00048438053035
                4p
                   -1 :               0.00001495535969
                   +0 :              -0.00008079936227
                   +1 :              -0.00004225973128
                3d
                   -2 :              -0.00012642820368
                   -1 :              -0.00003296196336
                   +0 :               0.00005885024486
                   +1 :              -0.00001561355366
                   +2 :               0.00000076385904
             11 vec=    -5.396580     12.099475     -9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00008171870029
                2p
                   -1 :              -0.00004478648046
                   +0 :              -0.00000266089864
                   +1 :              -0.00001422393730
                3s
                   +0 :               0.00008139423209
                4s
                   +0 :              -0.00004672148780
                3p
                   -1 :               0.00013186530477
                   +0 :               0.00013686535612
                   +1 :               0.00004475768545
                4p
                   -1 :              -0.00002297429268
                   +0 :              -0.00002929165798
                   +1 :              -0.00002418013080
                3d
                   -2 :               0.00003830020239
                   -1 :               0.00001607410664
                   +0 :              -0.00004156106740
                   +1 :              -0.00003734453639
                   +2 :              -0.00003177819426
             12 vec=    -5.396580     -5.868041     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00001686775967
                2p
                   -1 :              -0.00001238147752
                   +0 :               0.00001544434606
                   +1 :              -0.00004977192769
                3s
                   +0 :               0.00038303178251
                4s
                   +0 :              -0.00014919034046
                3p
                   -1 :               0.00050382553892
                   +0 :               0.00012515478451
                   +1 :               0.00030188482637
                4p
                   -1 :              -0.00006808017050
                   +0 :              -0.00005918193973
                   +1 :              -0.00000455981565
                3d
                   -2 :               0.00015061165228
                   -1 :               0.00010328183933
                   +0 :               0.00006346376818
                   +1 :               0.00001223439986
                   +2 :               0.00000589900453
             13 vec=     2.383582      7.607596     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00008352575082
                2p
                   -1 :               0.00003416235218
                   +0 :              -0.00000168095080
                   +1 :              -0.00004498997872
                3s
                   +0 :              -0.00086887652939
                4s
                   +0 :               0.00011601125022
                3p
                   -1 :              -0.00033908196967
                   +0 :              -0.00029841083354
                   +1 :              -0.00006030487005
                4p
                   -1 :               0.00005916931645
                   +0 :               0.00000363103339
                   +1 :              -0.00002359007451
                3d
                   -2 :              -0.00006961178675
                   -1 :              -0.00008486365596
                   +0 :              -0.00006601784877
                   +1 :              -0.00005985187978
                   +2 :               0.00003354245219
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al(  6)  npairs=  14
              1 vec=     2.383582     -1.376162     -2.510804   |vec|=    3.725510
                2s
                   +0 :               0.01789992595372
                2p
                   -1 :              -0.01024419388522
                   +0 :              -0.01852354811246
                   +1 :               0.01736890107495
                3s
                   +0 :               0.07025798505578
                4s
                   +0 :               0.00599066834871
                3p
                   -1 :              -0.03977072051619
                   +0 :              -0.05865249262703
                   +1 :               0.00973556718873
                4p
                   -1 :              -0.00107000129327
                   +0 :              -0.00696863461469
                   +1 :               0.01047542458617
                3d
                   -2 :              -0.01857157819351
                   -1 :               0.03050141522565
                   +0 :               0.02183304993330
                   +1 :              -0.02698757192749
                   +2 :              -0.00731873725618
              2 vec=    -5.396580      3.115717     -2.510804   |vec|=    6.718252
                2s
                   +0 :               0.00163595157409
                2p
                   -1 :               0.00024682891458
                   +0 :              -0.00062321234157
                   +1 :              -0.00112913950372
                3s
                   +0 :              -0.00325579905937
                4s
                   +0 :               0.00162680527965
                3p
                   -1 :               0.00087124422037
                   +0 :               0.00002353035902
                   +1 :              -0.00235444597640
                4p
                   -1 :               0.00015500326212
                   +0 :              -0.00014343252833
                   +1 :              -0.00157543906646
                3d
                   -2 :              -0.00149878497356
                   -1 :               0.00136434514741
                   +0 :              -0.00006364112249
                   +1 :               0.00140878587796
                   +2 :              -0.00065589046694
              3 vec=    -5.396580     -5.868041     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00009068570859
                2p
                   -1 :               0.00127403771505
                   +0 :              -0.00066890953471
                   +1 :              -0.00024027084740
                3s
                   +0 :              -0.00516111726274
                4s
                   +0 :              -0.00151237037716
                3p
                   -1 :              -0.00799109314938
                   +0 :               0.00724250115954
                   +1 :               0.00259094741619
                4p
                   -1 :               0.00162030958545
                   +0 :              -0.00024678575162
                   +1 :               0.00097902468051
                3d
                   -2 :               0.00192548203636
                   -1 :               0.00070161723100
                   +0 :              -0.00261001569098
                   +1 :              -0.00233396119700
                   +2 :              -0.00216533473238
              4 vec=     2.383582      7.607596     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00074438217942
                2p
                   -1 :              -0.00030236127092
                   +0 :               0.00054977020409
                   +1 :              -0.00021071110950
                3s
                   +0 :               0.00781044189449
                4s
                   +0 :              -0.00250330975982
                3p
                   -1 :               0.00387750454878
                   +0 :              -0.00637661432835
                   +1 :               0.00121054598597
                4p
                   -1 :              -0.00138718273965
                   +0 :               0.00108622895138
                   +1 :              -0.00099943793673
                3d
                   -2 :              -0.00032377058583
                   -1 :              -0.00192109521843
                   +0 :               0.00114701279423
                   +1 :               0.00002578642658
                   +2 :               0.00012718856396
              5 vec=     2.383582    -10.359920     -2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00020447001596
                2p
                   -1 :               0.00014913112936
                   +0 :               0.00012729475333
                   +1 :               0.00002369018705
                3s
                   +0 :              -0.00073059544082
                4s
                   +0 :              -0.00010094832078
                3p
                   -1 :              -0.00067896933746
                   +0 :              -0.00074432382481
                   +1 :              -0.00069125992158
                4p
                   -1 :               0.00042030845662
                   +0 :               0.00030460738412
                   +1 :               0.00005330257164
                3d
                   -2 :               0.00008803873233
                   -1 :               0.00011951042553
                   +0 :              -0.00042540832970
                   +1 :               0.00029176941374
                   +2 :              -0.00019091039921
              6 vec=    10.163745      3.115717     -2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00024720146162
                2p
                   -1 :              -0.00024268767789
                   +0 :              -0.00008756660505
                   +1 :               0.00011609922266
                3s
                   +0 :              -0.00000498473226
                4s
                   +0 :              -0.00009850658348
                3p
                   -1 :               0.00197273451783
                   +0 :               0.00046286436542
                   +1 :              -0.00087246171800
                4p
                   -1 :              -0.00048572870018
                   +0 :              -0.00010006866913
                   +1 :               0.00002014855697
                3d
                   -2 :               0.00020803416958
                   -1 :              -0.00063257973306
                   +0 :              -0.00005715930416
                   +1 :               0.00010608249559
                   +2 :               0.00024469803799
              7 vec=    10.163745     -5.868041     -2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00006401809311
                2p
                   -1 :              -0.00005580687485
                   +0 :              -0.00021070550752
                   +1 :               0.00011683725516
                3s
                   +0 :               0.00061647200024
                4s
                   +0 :               0.00023104782400
                3p
                   -1 :               0.00043589271463
                   +0 :               0.00017852726025
                   +1 :               0.00002688211613
                4p
                   -1 :              -0.00015910393639
                   +0 :              -0.00019372287063
                   +1 :               0.00012213969551
                3d
                   -2 :               0.00000746116101
                   -1 :              -0.00015864334258
                   +0 :               0.00018166990759
                   +1 :              -0.00032481684940
                   +2 :               0.00002466320793
              8 vec=   -13.176743     -1.376162     -2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00030491587722
                2p
                   -1 :              -0.00020459497139
                   +0 :              -0.00014821606509
                   +1 :              -0.00008480577099
                3s
                   +0 :              -0.00257216970987
                4s
                   +0 :               0.00049403820056
                3p
                   -1 :               0.00167719470997
                   +0 :               0.00160774489816
                   +1 :               0.00074147951847
                4p
                   -1 :              -0.00032380911102
                   +0 :              -0.00013458195498
                   +1 :              -0.00011503565524
                3d
                   -2 :              -0.00023674139075
                   -1 :              -0.00032565206127
                   +0 :              -0.00049241743391
                   +1 :              -0.00042122459239
                   +2 :              -0.00003929109283
              9 vec=    -5.396580     12.099475     -2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00007070548643
                2p
                   -1 :              -0.00004679221085
                   +0 :               0.00009723245036
                   +1 :              -0.00000849587121
                3s
                   +0 :              -0.00092991106645
                4s
                   +0 :              -0.00003067950969
                3p
                   -1 :              -0.00011574558802
                   +0 :              -0.00002612031707
                   +1 :              -0.00013668084048
                4p
                   -1 :              -0.00012586228317
                   +0 :               0.00013430124377
                   +1 :              -0.00000314190438
                3d
                   -2 :              -0.00000802808854
                   -1 :               0.00013736167759
                   +0 :              -0.00014518566308
                   +1 :               0.00015623406721
                   +2 :               0.00007302436387
             10 vec=   -13.176743      7.607596     -2.510804   |vec|=   15.420966
                2s
                   +0 :               0.00008214313481
                2p
                   -1 :              -0.00002892716562
                   +0 :              -0.00001876591441
                   +1 :              -0.00006860577619
                3s
                   +0 :              -0.00085067258850
                4s
                   +0 :               0.00021345705546
                3p
                   -1 :               0.00023225250828
                   +0 :               0.00014671230818
                   +1 :               0.00057342205343
                4p
                   -1 :              -0.00002805135474
                   +0 :              -0.00002743486641
                   +1 :              -0.00016410284283
                3d
                   -2 :               0.00002296682197
                   -1 :               0.00000504708436
                   +0 :              -0.00000920963039
                   +1 :              -0.00004103272600
                   +2 :              -0.00007901312850
             11 vec=    -5.396580    -14.851799     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00003787161341
                2p
                   -1 :              -0.00008245754647
                   +0 :               0.00001171456818
                   +1 :              -0.00000281720765
                3s
                   +0 :              -0.00005962093093
                4s
                   +0 :               0.00010479263847
                3p
                   -1 :               0.00035305994733
                   +0 :              -0.00015368870879
                   +1 :              -0.00015534378854
                4p
                   -1 :              -0.00011694973268
                   +0 :              -0.00000414834052
                   +1 :              -0.00000538873041
                3d
                   -2 :               0.00000821790585
                   -1 :              -0.00005043028201
                   +0 :               0.00004664288727
                   +1 :               0.00006430769497
                   +2 :               0.00009788926100
             12 vec=    10.163745     12.099475     -2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00002138877799
                2p
                   -1 :               0.00004798759071
                   +0 :              -0.00004114992033
                   +1 :              -0.00005107619285
                3s
                   +0 :               0.00054893848941
                4s
                   +0 :              -0.00008228489208
                3p
                   -1 :              -0.00012528803726
                   +0 :               0.00019753765371
                   +1 :               0.00041890639469
                4p
                   -1 :              -0.00000217831077
                   +0 :              -0.00005359232591
                   +1 :              -0.00009507443908
                3d
                   -2 :               0.00002454923361
                   -1 :               0.00000409499773
                   +0 :               0.00001391633477
                   +1 :               0.00001679572498
                   +2 :               0.00003395377579
             13 vec=   -13.176743    -10.359920     -2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00010792083477
                2p
                   -1 :               0.00003160692098
                   +0 :               0.00005254818760
                   +1 :               0.00002571610056
                3s
                   +0 :               0.00031457049423
                4s
                   +0 :              -0.00012432078789
                3p
                   -1 :              -0.00006768443901
                   +0 :              -0.00031290206435
                   +1 :              -0.00019185877270
                4p
                   -1 :               0.00003068739396
                   +0 :               0.00010414663562
                   +1 :               0.00002161582719
                3d
                   -2 :               0.00002257736251
                   -1 :              -0.00002046446890
                   +0 :              -0.00000336724191
                   +1 :               0.00004844940816
                   +2 :               0.00000735869550
             14 vec=     2.383582     16.591354     -2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00000538582843
                2p
                   -1 :              -0.00000597676731
                   +0 :               0.00000068806514
                   +1 :              -0.00000161040605
                3s
                   +0 :               0.00007428683866
                4s
                   +0 :              -0.00000867220732
                3p
                   -1 :               0.00002573561763
                   +0 :               0.00000669243220
                   +1 :              -0.00006190075782
                4p
                   -1 :               0.00000180256064
                   +0 :              -0.00001003247768
                   +1 :               0.00004330363159
                3d
                   -2 :              -0.00000033417991
                   -1 :               0.00000489784224
                   +0 :               0.00002385775814
                   +1 :              -0.00001059869118
                   +2 :              -0.00000461862103
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al(  7)  npairs=  13
              1 vec=     2.383582     -1.376162      9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00008875220838
                2p
                   -1 :               0.00022620716489
                   +0 :              -0.00001152062306
                   +1 :               0.00005987007947
                3s
                   +0 :              -0.00262008740375
                4s
                   +0 :               0.00045105574556
                3p
                   -1 :              -0.00156084906115
                   +0 :              -0.00134078779420
                   +1 :              -0.00157516722364
                4p
                   -1 :               0.00061285050968
                   +0 :               0.00041650844644
                   +1 :               0.00023028340588
                3d
                   -2 :              -0.00050373630413
                   -1 :               0.00027649784171
                   +0 :              -0.00026064117167
                   +1 :              -0.00049071677246
                   +2 :              -0.00029330211497
              2 vec=    -5.396580      3.115717      9.762967   |vec|=   11.582154
                2s
                   +0 :               0.00025124118048
                2p
                   -1 :               0.00037719637064
                   +0 :               0.00019695290161
                   +1 :               0.00007525452269
                3s
                   +0 :               0.00041007803209
                4s
                   +0 :               0.00093857120256
                3p
                   -1 :               0.00039163429183
                   +0 :              -0.00182247609058
                   +1 :               0.00034491187025
                4p
                   -1 :               0.00032861109469
                   +0 :               0.00079683492817
                   +1 :              -0.00016800229817
                3d
                   -2 :               0.00003442497479
                   -1 :              -0.00027526676521
                   +0 :              -0.00067235741521
                   +1 :              -0.00006947876799
                   +2 :              -0.00008563227493
              3 vec=    -5.396580     -5.868041      9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00047646764643
                2p
                   -1 :               0.00020604328756
                   +0 :              -0.00041056887300
                   +1 :               0.00021039893013
                3s
                   +0 :               0.00220087210229
                4s
                   +0 :              -0.00114691384136
                3p
                   -1 :              -0.00136017026909
                   +0 :               0.00344927226057
                   +1 :               0.00137333887313
                4p
                   -1 :               0.00057090887598
                   +0 :              -0.00114683947258
                   +1 :               0.00000260342420
                3d
                   -2 :              -0.00018782279344
                   -1 :              -0.00034527802128
                   +0 :               0.00063117584453
                   +1 :              -0.00052242346490
                   +2 :              -0.00008814796999
              4 vec=     2.383582      7.607596      9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00001426875869
                2p
                   -1 :               0.00010935642397
                   +0 :              -0.00001522711442
                   +1 :              -0.00000970220923
                3s
                   +0 :               0.00139709272422
                4s
                   +0 :              -0.00005097306994
                3p
                   -1 :               0.00093569509047
                   +0 :               0.00033346146152
                   +1 :               0.00050969088510
                4p
                   -1 :              -0.00000759188145
                   +0 :               0.00001303562083
                   +1 :              -0.00009942537320
                3d
                   -2 :               0.00018696557512
                   -1 :               0.00027068995111
                   +0 :              -0.00024167148291
                   +1 :               0.00008914610457
                   +2 :              -0.00042595136560
              5 vec=     2.383582    -10.359920      9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00004006999169
                2p
                   -1 :              -0.00010937387626
                   +0 :              -0.00000017116658
                   +1 :               0.00014726777291
                3s
                   +0 :              -0.00067596118515
                4s
                   +0 :               0.00004916155688
                3p
                   -1 :               0.00099448703011
                   +0 :              -0.00010795699565
                   +1 :              -0.00067833237465
                4p
                   -1 :              -0.00020205020472
                   +0 :               0.00011046487331
                   +1 :               0.00006234039789
                3d
                   -2 :               0.00021156725207
                   -1 :               0.00016296313393
                   +0 :               0.00011125154973
                   +1 :              -0.00016796200093
                   +2 :               0.00025769176125
              6 vec=    10.163745      3.115717      9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00004873759935
                2p
                   -1 :              -0.00008327036194
                   +0 :              -0.00002971679565
                   +1 :              -0.00001074696409
                3s
                   +0 :               0.00006606363883
                4s
                   +0 :              -0.00009580862068
                3p
                   -1 :               0.00029438787291
                   +0 :               0.00031122146929
                   +1 :               0.00002360449646
                4p
                   -1 :              -0.00012204656062
                   +0 :              -0.00011376219160
                   +1 :              -0.00001783940704
                3d
                   -2 :               0.00006208312758
                   -1 :               0.00002199157461
                   +0 :               0.00008786012039
                   +1 :               0.00005006309416
                   +2 :              -0.00001130466986
              7 vec=     2.383582     -1.376162    -14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00002347878497
                2p
                   -1 :              -0.00000366227941
                   +0 :               0.00000355738448
                   +1 :              -0.00000030475785
                3s
                   +0 :               0.00051678126543
                4s
                   +0 :              -0.00012436282022
                3p
                   -1 :               0.00006435974984
                   +0 :              -0.00025709922703
                   +1 :              -0.00000447182408
                4p
                   -1 :              -0.00004889783347
                   +0 :               0.00005819772887
                   +1 :              -0.00000359213070
                3d
                   -2 :              -0.00007996600265
                   -1 :              -0.00000912239147
                   +0 :               0.00005529766119
                   +1 :              -0.00002790897850
                   +2 :              -0.00009757442870
              8 vec=    10.163745     -5.868041      9.762967   |vec|=   15.266013
                2s
                   +0 :               0.00041624061378
                2p
                   -1 :              -0.00021165348293
                   +0 :               0.00015958520840
                   +1 :               0.00017582972723
                3s
                   +0 :              -0.00139529016357
                4s
                   +0 :               0.00033808437204
                3p
                   -1 :               0.00104386393309
                   +0 :              -0.00070631242444
                   +1 :              -0.00061412761844
                4p
                   -1 :              -0.00030938321755
                   +0 :               0.00012282971244
                   +1 :               0.00010279583965
                3d
                   -2 :               0.00023794485157
                   -1 :               0.00017433929975
                   +0 :               0.00000952134586
                   +1 :              -0.00024138327438
                   +2 :              -0.00006832032422
              9 vec=    -5.396580      3.115717    -14.784576   |vec|=   16.044141
                2s
                   +0 :               0.00012458217298
                2p
                   -1 :              -0.00000346887492
                   +0 :              -0.00003066969622
                   +1 :              -0.00003679060235
                3s
                   +0 :              -0.00050409419567
                4s
                   +0 :               0.00013745751657
                3p
                   -1 :               0.00009907499460
                   +0 :               0.00016061445202
                   +1 :              -0.00001000649401
                4p
                   -1 :              -0.00000207312026
                   +0 :              -0.00002651184916
                   +1 :              -0.00001315901872
                3d
                   -2 :               0.00001311426132
                   -1 :              -0.00002454483309
                   +0 :               0.00003552492668
                   +1 :               0.00002995078549
                   +2 :              -0.00000196723788
             10 vec=   -13.176743     -1.376162      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00013675932916
                2p
                   -1 :               0.00005499132762
                   +0 :              -0.00000154584235
                   +1 :               0.00001499541849
                3s
                   +0 :               0.00085537553547
                4s
                   +0 :              -0.00009039009606
                3p
                   -1 :              -0.00023671882206
                   +0 :               0.00009739580171
                   +1 :              -0.00015616303062
                4p
                   -1 :               0.00003467156888
                   +0 :              -0.00008224655260
                   +1 :              -0.00007342674511
                3d
                   -2 :               0.00000858964576
                   -1 :              -0.00000981126016
                   +0 :              -0.00002507690521
                   +1 :               0.00002907708823
                   +2 :              -0.00002712043952
             11 vec=    -5.396580     12.099475      9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00003254073487
                2p
                   -1 :               0.00000757324008
                   +0 :              -0.00000033263950
                   +1 :              -0.00000798104005
                3s
                   +0 :              -0.00038730295880
                4s
                   +0 :               0.00001877998273
                3p
                   -1 :              -0.00023514249602
                   +0 :              -0.00004609512155
                   +1 :              -0.00012761256991
                4p
                   -1 :               0.00002702654389
                   +0 :              -0.00002111395401
                   +1 :               0.00002049814394
                3d
                   -2 :              -0.00001245743808
                   -1 :              -0.00000601825030
                   +0 :               0.00000550381388
                   +1 :              -0.00001172663057
                   +2 :               0.00002772108083
             12 vec=    -5.396580     -5.868041    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00015174937940
                2p
                   -1 :              -0.00001512956820
                   +0 :              -0.00003397045461
                   +1 :              -0.00001401506806
                3s
                   +0 :              -0.00078794914706
                4s
                   +0 :               0.00014983861751
                3p
                   -1 :               0.00026056347512
                   +0 :               0.00028142326959
                   +1 :               0.00005574477124
                4p
                   -1 :              -0.00004272757872
                   +0 :              -0.00002322550526
                   +1 :              -0.00003143866962
                3d
                   -2 :              -0.00004327625564
                   -1 :              -0.00005856320748
                   +0 :               0.00001538305638
                   +1 :              -0.00003144483831
                   +2 :               0.00006492571413
             13 vec=     2.383582      7.607596    -14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00007651934099
                2p
                   -1 :              -0.00005047099627
                   +0 :               0.00001725935985
                   +1 :               0.00000601739935
                3s
                   +0 :               0.00032375575218
                4s
                   +0 :              -0.00007840217859
                3p
                   -1 :               0.00022095256404
                   +0 :               0.00005666561598
                   +1 :              -0.00026419138596
                4p
                   -1 :              -0.00004504054849
                   +0 :               0.00001877526770
                   +1 :               0.00001846953449
                3d
                   -2 :              -0.00006336587034
                   -1 :               0.00002374516002
                   +0 :              -0.00007908340681
                   +1 :               0.00006182228744
                   +2 :               0.00006780016776
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al(  8)  npairs=  14
              1 vec=     2.383582     -1.376162      2.510641   |vec|=    3.725400
                2s
                   +0 :               0.02056432283893
                2p
                   -1 :              -0.01301960258846
                   +0 :               0.01810266017889
                   +1 :               0.01643664708428
                3s
                   +0 :               0.06111045666528
                4s
                   +0 :               0.00735699413936
                3p
                   -1 :              -0.01885820310703
                   +0 :               0.05778723364797
                   +1 :               0.01415297226477
                4p
                   -1 :              -0.00832208601118
                   +0 :               0.00698324811299
                   +1 :               0.00864162080754
                3d
                   -2 :              -0.01754699705087
                   -1 :              -0.02907349941763
                   +0 :               0.02045032061394
                   +1 :               0.02729328466545
                   +2 :              -0.00323304606460
              2 vec=    -5.396580      3.115717      2.510641   |vec|=    6.718191
                2s
                   +0 :               0.00383192911778
                2p
                   -1 :               0.00159353281651
                   +0 :               0.00123406132704
                   +1 :              -0.00147500317140
                3s
                   +0 :              -0.01385932869761
                4s
                   +0 :               0.00810938887140
                3p
                   -1 :              -0.00750923583821
                   +0 :              -0.00271151783574
                   +1 :               0.00385920655713
                4p
                   -1 :               0.00302897390748
                   +0 :               0.00195568203898
                   +1 :              -0.00268950186340
                3d
                   -2 :               0.00013323057951
                   -1 :              -0.00190464715432
                   +0 :              -0.00106869553670
                   +1 :               0.00010748255051
                   +2 :              -0.00013380829161
              3 vec=    -5.396580     -5.868041      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00000930166771
                2p
                   -1 :               0.00053231415123
                   +0 :               0.00070590457438
                   +1 :              -0.00055650422062
                3s
                   +0 :               0.00086305632889
                4s
                   +0 :              -0.00067711040201
                3p
                   -1 :              -0.00876779748529
                   +0 :              -0.00820839283550
                   +1 :               0.00350300852585
                4p
                   -1 :               0.00149931616374
                   +0 :               0.00119401856935
                   +1 :              -0.00111245871337
                3d
                   -2 :               0.00218416562881
                   -1 :              -0.00237533570217
                   +0 :              -0.00159948272615
                   +1 :               0.00052546942646
                   +2 :              -0.00133370553842
              4 vec=     2.383582      7.607596      2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00084284447512
                2p
                   -1 :              -0.00006960834885
                   +0 :              -0.00025383990280
                   +1 :              -0.00045845295994
                3s
                   +0 :               0.00675280946565
                4s
                   +0 :              -0.00099510176046
                3p
                   -1 :               0.00242165642871
                   +0 :               0.00573768456931
                   +1 :               0.00026233075550
                4p
                   -1 :              -0.00020430579248
                   +0 :              -0.00032405463597
                   +1 :              -0.00033415340696
                3d
                   -2 :               0.00015101003086
                   -1 :               0.00183446752951
                   +0 :               0.00103119576308
                   +1 :              -0.00037221834670
                   +2 :               0.00021639968570
              5 vec=     2.383582    -10.359920      2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00029714159792
                2p
                   -1 :               0.00012960146252
                   +0 :              -0.00009492999022
                   +1 :               0.00003786549575
                3s
                   +0 :              -0.00118085809747
                4s
                   +0 :              -0.00046015831497
                3p
                   -1 :               0.00042962993464
                   +0 :               0.00002424360201
                   +1 :              -0.00025733935964
                4p
                   -1 :               0.00009533433149
                   +0 :              -0.00005883701523
                   +1 :               0.00014761952823
                3d
                   -2 :               0.00019975845862
                   -1 :              -0.00003564247646
                   +0 :              -0.00036280106338
                   +1 :              -0.00010140473887
                   +2 :               0.00016617219679
              6 vec=    10.163745      3.115717      2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00029211871042
                2p
                   -1 :              -0.00002222327562
                   +0 :               0.00003093094406
                   +1 :               0.00022661583811
                3s
                   +0 :               0.00062730443025
                4s
                   +0 :              -0.00009360627966
                3p
                   -1 :               0.00078469354759
                   +0 :              -0.00044574939512
                   +1 :              -0.00147518628584
                4p
                   -1 :              -0.00034062368301
                   +0 :               0.00006159821870
                   +1 :               0.00047312832860
                3d
                   -2 :              -0.00006411567129
                   -1 :               0.00024892490937
                   +0 :               0.00033090396951
                   +1 :              -0.00020603519373
                   +2 :              -0.00018317935903
              7 vec=    10.163745     -5.868041      2.510641   |vec|=   12.001622
                2s
                   +0 :               0.00034643553004
                2p
                   -1 :              -0.00007265742757
                   +0 :               0.00014734317340
                   +1 :               0.00025517676833
                3s
                   +0 :              -0.00011512597150
                4s
                   +0 :               0.00040785417127
                3p
                   -1 :               0.00018119848766
                   +0 :               0.00024258039952
                   +1 :              -0.00100550075291
                4p
                   -1 :               0.00006952756226
                   +0 :               0.00011258422369
                   +1 :               0.00038945433010
                3d
                   -2 :               0.00024223290501
                   -1 :              -0.00008905456802
                   +0 :               0.00046224511349
                   +1 :               0.00014491603771
                   +2 :               0.00037261679891
              8 vec=   -13.176743     -1.376162      2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00018109920512
                2p
                   -1 :               0.00021453429217
                   +0 :              -0.00001624550629
                   +1 :               0.00009176119522
                3s
                   +0 :               0.00074655020634
                4s
                   +0 :              -0.00006864658888
                3p
                   -1 :               0.00092396487090
                   +0 :              -0.00238232428062
                   +1 :              -0.00026835412609
                4p
                   -1 :               0.00026927885026
                   +0 :               0.00014316010265
                   +1 :               0.00005948841908
                3d
                   -2 :              -0.00014878515905
                   -1 :               0.00005372131807
                   +0 :              -0.00029353128163
                   +1 :               0.00045266190371
                   +2 :              -0.00038146516446
              9 vec=    -5.396580     12.099475      2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00000451568102
                2p
                   -1 :               0.00003029284350
                   +0 :              -0.00002339777152
                   +1 :               0.00010473277659
                3s
                   +0 :              -0.00090813552147
                4s
                   +0 :               0.00026420366973
                3p
                   -1 :              -0.00087055474740
                   +0 :              -0.00040020859525
                   +1 :              -0.00067020655257
                4p
                   -1 :               0.00022227138769
                   +0 :              -0.00000285726933
                   +1 :               0.00017627036559
                3d
                   -2 :              -0.00005943827042
                   -1 :              -0.00005770561000
                   +0 :              -0.00001824769559
                   +1 :              -0.00000000124014
                   +2 :               0.00019238950957
             10 vec=   -13.176743      7.607596      2.510641   |vec|=   15.420940
                2s
                   +0 :               0.00014118237338
                2p
                   -1 :              -0.00000312228384
                   +0 :               0.00000484563782
                   +1 :              -0.00003396023129
                3s
                   +0 :              -0.00096094201612
                4s
                   +0 :               0.00015187321096
                3p
                   -1 :               0.00016481822582
                   +0 :              -0.00010893082347
                   +1 :               0.00015911341365
                4p
                   -1 :              -0.00008171204629
                   +0 :              -0.00001722140619
                   +1 :              -0.00001301866491
                3d
                   -2 :              -0.00000746325527
                   -1 :               0.00002903179455
                   +0 :              -0.00008182830898
                   +1 :               0.00002938089585
                   +2 :               0.00000250151503
             11 vec=    -5.396580    -14.851799      2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00010871056024
                2p
                   -1 :              -0.00007370844556
                   +0 :              -0.00006613468798
                   +1 :              -0.00001374663148
                3s
                   +0 :              -0.00048479408359
                4s
                   +0 :               0.00013401868451
                3p
                   -1 :               0.00030074772967
                   +0 :               0.00038823024534
                   +1 :              -0.00014071235190
                4p
                   -1 :              -0.00005602480897
                   +0 :              -0.00009618012994
                   +1 :               0.00004945449508
                3d
                   -2 :               0.00001233776865
                   -1 :              -0.00002817975689
                   +0 :              -0.00003787053173
                   +1 :              -0.00009104445212
                   +2 :               0.00006581433109
             12 vec=    10.163745     12.099475      2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00009489186510
                2p
                   -1 :              -0.00004367471305
                   +0 :               0.00000193632236
                   +1 :              -0.00007458964876
                3s
                   +0 :               0.00058380382151
                4s
                   +0 :              -0.00016448825076
                3p
                   -1 :               0.00023845320865
                   +0 :               0.00002501624172
                   +1 :               0.00043239898424
                4p
                   -1 :              -0.00006731708458
                   +0 :              -0.00001051220855
                   +1 :              -0.00010624156182
                3d
                   -2 :               0.00000390830686
                   -1 :              -0.00001607531622
                   +0 :              -0.00000720770697
                   +1 :               0.00000541974782
                   +2 :              -0.00003225148013
             13 vec=   -13.176743    -10.359920      2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00015075013292
                2p
                   -1 :               0.00007190472774
                   +0 :              -0.00000204843130
                   +1 :               0.00002654137347
                3s
                   +0 :               0.00064345274580
                4s
                   +0 :              -0.00012064693142
                3p
                   -1 :              -0.00046156742423
                   +0 :              -0.00037597672507
                   +1 :              -0.00027047401677
                4p
                   -1 :               0.00008491131783
                   +0 :               0.00005881643984
                   +1 :              -0.00001039343624
                3d
                   -2 :               0.00009843288957
                   -1 :               0.00005743833046
                   +0 :              -0.00008461675693
                   +1 :               0.00005901708490
                   +2 :               0.00004464766937
             14 vec=     2.383582     16.591354      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00004948820548
                2p
                   -1 :               0.00003328041452
                   +0 :               0.00001131969505
                   +1 :               0.00000677551081
                3s
                   +0 :              -0.00014449743895
                4s
                   +0 :               0.00007189937875
                3p
                   -1 :              -0.00018805074202
                   +0 :              -0.00003257826031
                   +1 :               0.00004521340104
                4p
                   -1 :               0.00004714282174
                   +0 :               0.00000487763110
                   +1 :              -0.00000044686897
                3d
                   -2 :               0.00001205472476
                   -1 :              -0.00003190106560
                   +0 :               0.00002737782609
                   +1 :               0.00000609367342
                   +2 :               0.00002380442245
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al(  9)  npairs=  14
              1 vec=    -0.209805      3.115717     -1.580453   |vec|=    3.499934
                2s
                   +0 :              -0.00272057536093
                2p
                   -1 :              -0.00352296865997
                   +0 :               0.00221933026216
                   +1 :              -0.00802583828608
                3s
                   +0 :              -0.00938111761530
                4s
                   +0 :               0.00039801012154
                3p
                   -1 :              -0.01281113930128
                   +0 :              -0.00002694762888
                   +1 :              -0.04629036925891
                4p
                   -1 :              -0.00106916034436
                   +0 :               0.00212163177652
                   +1 :              -0.00219145523981
                3d
                   -2 :              -0.03729104991466
                   -1 :               0.00639591023542
                   +0 :              -0.00037988084690
                   +1 :               0.01932269752297
                   +2 :               0.01219459287832
              2 vec=    -0.209805     -5.868041     -1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00003302673424
                2p
                   -1 :               0.00204099722749
                   +0 :              -0.00098011805206
                   +1 :               0.00169074534936
                3s
                   +0 :               0.00295316369332
                4s
                   +0 :              -0.00053105680670
                3p
                   -1 :              -0.00814923178819
                   +0 :               0.00685371137008
                   +1 :              -0.00926516437585
                4p
                   -1 :               0.00256324220304
                   +0 :              -0.00213671961097
                   +1 :               0.00280797428207
                3d
                   -2 :              -0.00278643360336
                   -1 :              -0.00107833749071
                   +0 :               0.00088393720631
                   +1 :               0.00053682613116
                   +2 :               0.00160769149649
              3 vec=     7.570358     -1.376162     -1.580453   |vec|=    7.855060
                2s
                   +0 :              -0.00083592730109
                2p
                   -1 :              -0.00028479575302
                   +0 :               0.00066055645273
                   +1 :              -0.00082027385295
                3s
                   +0 :               0.02330912304689
                4s
                   +0 :              -0.00080376108516
                3p
                   -1 :              -0.00817311408149
                   +0 :              -0.01638151050007
                   +1 :               0.00919966404980
                4p
                   -1 :              -0.00072581609546
                   +0 :               0.00137808101260
                   +1 :              -0.00035119901894
                3d
                   -2 :              -0.00342840381744
                   -1 :               0.00313861345493
                   +0 :               0.00193305916252
                   +1 :              -0.00518024247762
                   +2 :              -0.00095041877716
              4 vec=    -7.989968     -1.376162     -1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00095607278773
                2p
                   -1 :              -0.00085339522814
                   +0 :              -0.00012253146347
                   +1 :               0.00084473843750
                3s
                   +0 :              -0.01241967183301
                4s
                   +0 :               0.00157954952786
                3p
                   -1 :               0.01257251773878
                   +0 :               0.00495153276433
                   +1 :              -0.00474571505566
                4p
                   -1 :              -0.00126806082450
                   +0 :              -0.00067898396799
                   +1 :               0.00077310576085
                3d
                   -2 :              -0.00117423889404
                   -1 :              -0.00303643127133
                   +0 :               0.00011243952907
                   +1 :               0.00056231467594
                   +2 :               0.00482959291595
              5 vec=     7.570358      7.607596     -1.580453   |vec|=   10.848210
                2s
                   +0 :              -0.00003412312120
                2p
                   -1 :              -0.00018179459377
                   +0 :               0.00025089682930
                   +1 :              -0.00005349654356
                3s
                   +0 :               0.00195880856389
                4s
                   +0 :              -0.00056269899402
                3p
                   -1 :               0.00123177498755
                   +0 :              -0.00162540993422
                   +1 :               0.00074896591786
                4p
                   -1 :              -0.00035089033742
                   +0 :               0.00036534562493
                   +1 :              -0.00014247688720
                3d
                   -2 :               0.00036794709748
                   -1 :              -0.00048292827224
                   +0 :               0.00018606852160
                   +1 :              -0.00015972040445
                   +2 :              -0.00020655350464
              6 vec=    -7.989968      7.607596     -1.580453   |vec|=   11.145086
                2s
                   +0 :               0.00124781921499
                2p
                   -1 :               0.00022908653754
                   +0 :              -0.00014392668905
                   +1 :              -0.00034805104802
                3s
                   +0 :              -0.00751954166036
                4s
                   +0 :               0.00147154129136
                3p
                   -1 :              -0.00219233637947
                   +0 :               0.00230426099723
                   +1 :               0.00244945742561
                4p
                   -1 :               0.00021070592562
                   +0 :              -0.00037343957163
                   +1 :              -0.00068808354955
                3d
                   -2 :               0.00033136574286
                   -1 :               0.00073921785083
                   +0 :              -0.00027453522230
                   +1 :               0.00001299565943
                   +2 :              -0.00000925563319
              7 vec=    -0.209805     12.099475     -1.580453   |vec|=   12.204063
                2s
                   +0 :               0.00024736055415
                2p
                   -1 :               0.00017959293146
                   +0 :              -0.00022213667798
                   +1 :               0.00009578164623
                3s
                   +0 :              -0.00012855884884
                4s
                   +0 :               0.00009575412429
                3p
                   -1 :              -0.00038541054753
                   +0 :               0.00066074504753
                   +1 :              -0.00005431135697
                4p
                   -1 :               0.00014523493888
                   +0 :              -0.00017869769587
                   +1 :               0.00015665723611
                3d
                   -2 :               0.00029917804752
                   -1 :               0.00002055992786
                   +0 :               0.00012139270504
                   +1 :              -0.00002768507857
                   +2 :              -0.00002588692530
              8 vec=     7.570358    -10.359920     -1.580453   |vec|=   12.928112
                2s
                   +0 :              -0.00032393949010
                2p
                   -1 :              -0.00000865741494
                   +0 :              -0.00004348651541
                   +1 :               0.00011237772871
                3s
                   +0 :               0.00134825283040
                4s
                   +0 :              -0.00021967255250
                3p
                   -1 :               0.00054182986092
                   +0 :              -0.00026138082725
                   +1 :              -0.00016987091051
                4p
                   -1 :              -0.00011275650816
                   +0 :               0.00008045307683
                   +1 :               0.00019642703459
                3d
                   -2 :               0.00034197123779
                   -1 :              -0.00014250828492
                   +0 :              -0.00003229687634
                   +1 :              -0.00025574337585
                   +2 :               0.00018277718314
              9 vec=    -7.989968    -10.359920     -1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00088526396817
                2p
                   -1 :              -0.00028139446762
                   +0 :              -0.00026854590675
                   +1 :              -0.00008960662993
                3s
                   +0 :              -0.00554501148429
                4s
                   +0 :               0.00051995564420
                3p
                   -1 :               0.00126825699451
                   +0 :               0.00309287624301
                   +1 :               0.00190988762449
                4p
                   -1 :              -0.00012390020151
                   +0 :              -0.00048313569915
                   +1 :               0.00010021688624
                3d
                   -2 :              -0.00016773025070
                   -1 :              -0.00052121094112
                   +0 :              -0.00032775119046
                   +1 :              -0.00096517717483
                   +2 :              -0.00036824072123
             10 vec=    -0.209805    -14.851799     -1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00003584122347
                2p
                   -1 :               0.00005520072073
                   +0 :               0.00000918270155
                   +1 :              -0.00001450276851
                3s
                   +0 :              -0.00000768381782
                4s
                   +0 :              -0.00017047278946
                3p
                   -1 :              -0.00039897516877
                   +0 :              -0.00009797089311
                   +1 :               0.00006090681641
                4p
                   -1 :               0.00017374246714
                   +0 :               0.00002750448811
                   +1 :              -0.00000422904825
                3d
                   -2 :              -0.00003456655558
                   -1 :               0.00004066796086
                   +0 :              -0.00003420755578
                   +1 :               0.00011173153718
                   +2 :              -0.00003986484194
             11 vec=    15.350520      3.115717     -1.580453   |vec|=   15.743062
                2s
                   +0 :              -0.00022286912037
                2p
                   -1 :              -0.00006769690310
                   +0 :               0.00006853194309
                   +1 :              -0.00005014432178
                3s
                   +0 :               0.00122370043772
                4s
                   +0 :              -0.00030185974376
                3p
                   -1 :               0.00060243629532
                   +0 :              -0.00053530480715
                   +1 :               0.00024794705178
                4p
                   -1 :              -0.00014389139631
                   +0 :               0.00017595520074
                   +1 :              -0.00007469868511
                3d
                   -2 :               0.00010484025596
                   -1 :              -0.00004401038315
                   +0 :              -0.00009410561606
                   +1 :              -0.00005823773928
                   +2 :               0.00003264680320
             12 vec=   -15.770130      3.115717     -1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00003844051607
                2p
                   -1 :              -0.00000641228646
                   +0 :              -0.00000457863061
                   +1 :               0.00000747314107
                3s
                   +0 :              -0.00058095637739
                4s
                   +0 :               0.00002199537980
                3p
                   -1 :               0.00005074992077
                   +0 :               0.00012281422644
                   +1 :              -0.00006642394481
                4p
                   -1 :              -0.00009584286057
                   +0 :              -0.00005284671600
                   +1 :               0.00006077175215
                3d
                   -2 :               0.00001804200479
                   -1 :              -0.00003296579884
                   +0 :              -0.00007069760101
                   +1 :              -0.00003758505821
                   +2 :              -0.00008154374905
             13 vec=    15.350520     -5.868041     -1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00009242871264
                2p
                   -1 :               0.00001041149771
                   +0 :               0.00004595483503
                   +1 :              -0.00000254161889
                3s
                   +0 :               0.00070451417235
                4s
                   +0 :              -0.00012377840776
                3p
                   -1 :              -0.00010672738668
                   +0 :              -0.00038657429498
                   +1 :               0.00011865119543
                4p
                   -1 :               0.00001890694985
                   +0 :               0.00006164741388
                   +1 :              -0.00002523155272
                3d
                   -2 :               0.00000858178285
                   -1 :               0.00006017928408
                   +0 :               0.00003374896010
                   +1 :              -0.00006857207703
                   +2 :               0.00000299909428
             14 vec=   -15.770130     -5.868041     -1.580453   |vec|=   16.900555
                2s
                   +0 :               0.00008636641172
                2p
                   -1 :              -0.00001185123593
                   +0 :              -0.00000269240765
                   +1 :              -0.00000654704121
                3s
                   +0 :              -0.00055047585502
                4s
                   +0 :               0.00016146524194
                3p
                   -1 :               0.00003543199993
                   +0 :               0.00013711131708
                   +1 :               0.00008375242109
                4p
                   -1 :              -0.00006759948153
                   +0 :               0.00002001584867
                   +1 :              -0.00001583603558
                3d
                   -2 :               0.00002786435975
                   -1 :              -0.00006207836520
                   +0 :              -0.00007000401403
                   +1 :              -0.00008052488693
                   +2 :              -0.00000693718004
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al( 10)  npairs=  14
              1 vec=    -0.209805      3.115717      5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00068482434637
                2p
                   -1 :              -0.00000721019681
                   +0 :              -0.00009917047050
                   +1 :               0.00096477382480
                3s
                   +0 :              -0.00507906463396
                4s
                   +0 :              -0.00104365243019
                3p
                   -1 :               0.00132065088620
                   +0 :               0.00138519141595
                   +1 :              -0.00874869509794
                4p
                   -1 :              -0.00104157823545
                   +0 :              -0.00067054469585
                   +1 :               0.00107755692958
                3d
                   -2 :               0.00093820592973
                   -1 :              -0.00006978656069
                   +0 :               0.00007802974342
                   +1 :               0.00196234685435
                   +2 :              -0.00126731803544
              2 vec=    -0.209805     -5.868041      5.671873   |vec|=    8.163827
                2s
                   +0 :              -0.00016239518372
                2p
                   -1 :               0.00020887083641
                   +0 :              -0.00067056161635
                   +1 :              -0.00129940225481
                3s
                   +0 :              -0.00746444753521
                4s
                   +0 :               0.00026561108348
                3p
                   -1 :               0.00415559656797
                   +0 :               0.00419254134600
                   +1 :               0.01028444457462
                4p
                   -1 :               0.00022906309390
                   +0 :              -0.00098819753365
                   +1 :              -0.00249458113424
                3d
                   -2 :              -0.00275205291927
                   -1 :              -0.00157997634746
                   +0 :               0.00144373505239
                   +1 :               0.00157200922037
                   +2 :               0.00079965392381
              3 vec=     7.570358     -1.376162      5.671873   |vec|=    9.558990
                2s
                   +0 :               0.00097113663757
                2p
                   -1 :               0.00049715186046
                   +0 :               0.00058903267177
                   +1 :              -0.00018803572433
                3s
                   +0 :              -0.00218269347751
                4s
                   +0 :               0.00029557123230
                3p
                   -1 :              -0.00267745415165
                   +0 :              -0.00140705671442
                   +1 :               0.00126470135794
                4p
                   -1 :               0.00083701585192
                   +0 :               0.00003139544812
                   +1 :              -0.00039762930115
                3d
                   -2 :              -0.00004555361482
                   -1 :              -0.00054470379876
                   +0 :               0.00061768597216
                   +1 :               0.00007861390237
                   +2 :               0.00095157280930
              4 vec=    -7.989968     -1.376162      5.671873   |vec|=    9.894622
                2s
                   +0 :              -0.00234638916015
                2p
                   -1 :              -0.00070122299940
                   +0 :              -0.00003955579432
                   +1 :               0.00060495553983
                3s
                   +0 :               0.01906348329613
                4s
                   +0 :              -0.00192697063696
                3p
                   -1 :               0.01051173429671
                   +0 :               0.00017055794592
                   +1 :              -0.00867400703615
                4p
                   -1 :              -0.00046355582593
                   +0 :              -0.00005493939580
                   +1 :               0.00106356847643
                3d
                   -2 :              -0.00288882278280
                   -1 :               0.00068716498540
                   +0 :              -0.00198005895973
                   +1 :               0.00062277583678
                   +2 :              -0.00063018608794
              5 vec=     7.570358      7.607596      5.671873   |vec|=   12.139027
                2s
                   +0 :               0.00009425150000
                2p
                   -1 :              -0.00002621413092
                   +0 :               0.00007994456576
                   +1 :               0.00016862431141
                3s
                   +0 :               0.00023601089441
                4s
                   +0 :               0.00019278751152
                3p
                   -1 :               0.00006188478412
                   +0 :               0.00037964188897
                   +1 :              -0.00053780256026
                4p
                   -1 :               0.00001268556469
                   +0 :              -0.00019982008410
                   +1 :               0.00029796494512
                3d
                   -2 :               0.00010170636766
                   -1 :               0.00010934322894
                   +0 :              -0.00001125205601
                   +1 :               0.00015575358574
                   +2 :              -0.00001540937618
              6 vec=    -7.989968      7.607596      5.671873   |vec|=   12.405049
                2s
                   +0 :              -0.00008786117193
                2p
                   -1 :              -0.00013893486009
                   +0 :               0.00001911363711
                   +1 :               0.00003814008694
                3s
                   +0 :              -0.00092354151264
                4s
                   +0 :               0.00000902893883
                3p
                   -1 :               0.00078157238583
                   +0 :              -0.00113273657404
                   +1 :               0.00068370461604
                4p
                   -1 :              -0.00009486665041
                   +0 :               0.00025788084307
                   +1 :              -0.00000839250521
                3d
                   -2 :              -0.00017117048366
                   -1 :               0.00015932999168
                   +0 :              -0.00017889278546
                   +1 :               0.00007989957117
                   +2 :              -0.00010080937303
              7 vec=    -0.209805     12.099475      5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00004331601874
                2p
                   -1 :               0.00006075670623
                   +0 :              -0.00005495853382
                   +1 :               0.00000057688147
                3s
                   +0 :              -0.00009408796085
                4s
                   +0 :               0.00009619299631
                3p
                   -1 :              -0.00049471807284
                   +0 :               0.00014210624387
                   +1 :              -0.00000035167597
                4p
                   -1 :               0.00009087901730
                   +0 :              -0.00000778390804
                   +1 :              -0.00001510241787
                3d
                   -2 :              -0.00015804949689
                   -1 :              -0.00004032476571
                   +0 :              -0.00004504439609
                   +1 :              -0.00011465086989
                   +2 :               0.00021179188892
              8 vec=     7.570358    -10.359920      5.671873   |vec|=   14.028842
                2s
                   +0 :               0.00071772176732
                2p
                   -1 :              -0.00025605515258
                   +0 :               0.00013862877414
                   +1 :              -0.00005096235697
                3s
                   +0 :              -0.00318718974909
                4s
                   +0 :               0.00037685640321
                3p
                   -1 :               0.00145066742802
                   +0 :              -0.00076820843883
                   +1 :               0.00031822846561
                4p
                   -1 :              -0.00007318807063
                   +0 :               0.00022370720611
                   +1 :              -0.00014785469033
                3d
                   -2 :              -0.00007647414722
                   -1 :               0.00033562931683
                   +0 :               0.00004837218109
                   +1 :               0.00014295345887
                   +2 :               0.00019047610364
              9 vec=    -7.989968    -10.359920      5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00036335699135
                2p
                   -1 :               0.00002411303217
                   +0 :              -0.00018102896581
                   +1 :               0.00004625753409
                3s
                   +0 :               0.00217619529603
                4s
                   +0 :              -0.00027118407758
                3p
                   -1 :              -0.00056923759903
                   +0 :               0.00128355358362
                   +1 :               0.00037274662805
                4p
                   -1 :               0.00000068624121
                   +0 :              -0.00009267489967
                   +1 :               0.00000652740789
                3d
                   -2 :              -0.00010186156527
                   -1 :              -0.00030680916583
                   +0 :               0.00002706530272
                   +1 :              -0.00003549779973
                   +2 :               0.00019666787075
             10 vec=    -0.209805    -14.851799      5.671873   |vec|=   15.899374
                2s
                   +0 :              -0.00003036480891
                2p
                   -1 :               0.00003940374366
                   +0 :              -0.00006016905557
                   +1 :              -0.00000874820182
                3s
                   +0 :               0.00023815518687
                4s
                   +0 :              -0.00002227412255
                3p
                   -1 :              -0.00036761553404
                   +0 :               0.00033143171476
                   +1 :               0.00001409681833
                4p
                   -1 :               0.00006240902546
                   +0 :              -0.00008478067370
                   +1 :              -0.00000954955023
                3d
                   -2 :               0.00003100643322
                   -1 :              -0.00007511909912
                   +0 :              -0.00000093717560
                   +1 :              -0.00005014509186
                   +2 :              -0.00009652543308
             11 vec=    15.350520      3.115717      5.671873   |vec|=   16.658821
                2s
                   +0 :               0.00010014238278
                2p
                   -1 :               0.00002660351543
                   +0 :               0.00004967227701
                   +1 :               0.00005294351667
                3s
                   +0 :               0.00013433014381
                4s
                   +0 :               0.00008488754046
                3p
                   -1 :               0.00006683614027
                   +0 :              -0.00016328377246
                   +1 :              -0.00005546583512
                4p
                   -1 :              -0.00002137705440
                   +0 :               0.00004185303517
                   +1 :               0.00007289492587
                3d
                   -2 :              -0.00001714086842
                   -1 :              -0.00000730336112
                   +0 :              -0.00000150654562
                   +1 :              -0.00006342732638
                   +2 :               0.00002987618283
             12 vec=   -15.770130      3.115717      5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00003333709291
                2p
                   -1 :              -0.00004720087715
                   +0 :              -0.00002285978190
                   +1 :               0.00002998291309
                3s
                   +0 :              -0.00006159276363
                4s
                   +0 :              -0.00011523152150
                3p
                   -1 :               0.00021848933161
                   +0 :              -0.00000742380735
                   +1 :              -0.00009849972462
                4p
                   -1 :              -0.00007990662129
                   +0 :               0.00000491490217
                   +1 :               0.00008806688705
                3d
                   -2 :              -0.00004031456764
                   -1 :               0.00001542660762
                   +0 :              -0.00000090011770
                   +1 :              -0.00005656326979
                   +2 :              -0.00002093917899
             13 vec=    15.350520     -5.868041      5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00001133728761
                2p
                   -1 :              -0.00000119978076
                   +0 :               0.00002705396514
                   +1 :              -0.00004849220880
                3s
                   +0 :              -0.00011670596370
                4s
                   +0 :              -0.00000797066481
                3p
                   -1 :               0.00012419598238
                   +0 :              -0.00002871767805
                   +1 :               0.00035042790568
                4p
                   -1 :              -0.00002245454856
                   +0 :               0.00000406912635
                   +1 :              -0.00005732077956
                3d
                   -2 :              -0.00006703325976
                   -1 :              -0.00002687985035
                   +0 :               0.00005795240676
                   +1 :               0.00003381765350
                   +2 :               0.00005598799321
             14 vec=   -15.770130     -5.868041      5.671873   |vec|=   17.756719
                2s
                   +0 :              -0.00025785531165
                2p
                   -1 :               0.00004157396975
                   +0 :               0.00000111426180
                   +1 :               0.00005265280080
                3s
                   +0 :               0.00158185986056
                4s
                   +0 :              -0.00032142173578
                3p
                   -1 :              -0.00032001171511
                   +0 :              -0.00002851731055
                   +1 :              -0.00064542331887
                4p
                   -1 :               0.00008983523501
                   +0 :              -0.00002916563448
                   +1 :               0.00010871479092
                3d
                   -2 :               0.00011656333204
                   -1 :               0.00008980313526
                   +0 :               0.00000533887997
                   +1 :              -0.00002044098334
                   +2 :               0.00009041725324
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al( 11)  npairs=  13
              1 vec=    -0.209805      3.115717     -6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00142217400591
                2p
                   -1 :               0.00028008879197
                   +0 :              -0.00060664881466
                   +1 :               0.00047032669282
                3s
                   +0 :              -0.00182610663920
                4s
                   +0 :               0.00141035210099
                3p
                   -1 :               0.00102832542404
                   +0 :               0.00109043202388
                   +1 :              -0.01151267290072
                4p
                   -1 :              -0.00063209673750
                   +0 :              -0.00025895112943
                   +1 :               0.00090523989230
                3d
                   -2 :              -0.00196979431362
                   -1 :               0.00017521720633
                   +0 :              -0.00035677883543
                   +1 :               0.00266405350255
                   +2 :               0.00023090825607
              2 vec=    -0.209805     -5.868041     -6.601898   |vec|=    8.835326
                2s
                   +0 :               0.00056747505745
                2p
                   -1 :              -0.00019844512434
                   +0 :               0.00012072999519
                   +1 :              -0.00074999651270
                3s
                   +0 :              -0.00614803258326
                4s
                   +0 :               0.00235279830032
                3p
                   -1 :               0.00272716570369
                   +0 :               0.00127957712103
                   +1 :               0.00409733964089
                4p
                   -1 :              -0.00106093556349
                   +0 :              -0.00051407295644
                   +1 :              -0.00173338914300
                3d
                   -2 :              -0.00178784637881
                   -1 :              -0.00033669388603
                   +0 :               0.00013928778401
                   +1 :              -0.00072458467455
                   +2 :               0.00071710166167
              3 vec=     7.570358     -1.376162     -6.601898   |vec|=   10.138500
                2s
                   +0 :              -0.00030570500554
                2p
                   -1 :               0.00035326327565
                   +0 :              -0.00029099661880
                   +1 :              -0.00037902648684
                3s
                   +0 :               0.00377487581906
                4s
                   +0 :              -0.00156240388896
                3p
                   -1 :              -0.00273266481595
                   +0 :               0.00107618277652
                   +1 :               0.00302722302940
                4p
                   -1 :               0.00053407809068
                   +0 :               0.00007758053951
                   +1 :              -0.00116151047903
                3d
                   -2 :              -0.00036634357734
                   -1 :               0.00038913097009
                   +0 :               0.00016289178087
                   +1 :               0.00004465742151
                   +2 :               0.00033652120935
              4 vec=    -7.989968     -1.376162     -6.601898   |vec|=   10.455547
                2s
                   +0 :               0.00183206654840
                2p
                   -1 :              -0.00010964753426
                   +0 :              -0.00043484740177
                   +1 :              -0.00050843339626
                3s
                   +0 :              -0.00836650393750
                4s
                   +0 :               0.00216716246331
                3p
                   -1 :               0.00168263020002
                   +0 :               0.00268151345716
                   +1 :               0.00283969959465
                4p
                   -1 :              -0.00007606785365
                   +0 :              -0.00061916250241
                   +1 :              -0.00069228621008
                3d
                   -2 :               0.00032196461783
                   -1 :              -0.00013293055446
                   +0 :              -0.00023168213033
                   +1 :              -0.00031841292387
                   +2 :              -0.00015561082379
              5 vec=     7.570358      7.607596     -6.601898   |vec|=   12.600432
                2s
                   +0 :               0.00036369732167
                2p
                   -1 :               0.00008940033255
                   +0 :              -0.00026245415057
                   +1 :               0.00028555621778
                3s
                   +0 :              -0.00085705838649
                4s
                   +0 :               0.00061459900700
                3p
                   -1 :              -0.00056701999263
                   +0 :               0.00121505992379
                   +1 :              -0.00135818748240
                4p
                   -1 :               0.00016620976507
                   +0 :              -0.00041295393729
                   +1 :               0.00041615977573
                3d
                   -2 :               0.00000668256086
                   -1 :               0.00011952281086
                   +0 :               0.00006417673564
                   +1 :               0.00024414495411
                   +2 :              -0.00006892373135
              6 vec=    -7.989968      7.607596     -6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00018098469018
                2p
                   -1 :              -0.00001088358782
                   +0 :              -0.00009509965786
                   +1 :               0.00003769113633
                3s
                   +0 :              -0.00170745625172
                4s
                   +0 :               0.00024571300495
                3p
                   -1 :              -0.00014410771944
                   +0 :               0.00078073815267
                   +1 :              -0.00007650470879
                4p
                   -1 :               0.00003611346386
                   +0 :              -0.00013897641165
                   +1 :               0.00018930028712
                3d
                   -2 :               0.00000744100110
                   -1 :               0.00008245814483
                   +0 :              -0.00028881427492
                   +1 :              -0.00022528970896
                   +2 :               0.00004016712022
              7 vec=    -0.209805     12.099475     -6.601898   |vec|=   13.785005
                2s
                   +0 :              -0.00003340026709
                2p
                   -1 :              -0.00002172871885
                   +0 :               0.00005885741759
                   +1 :               0.00009749161170
                3s
                   +0 :               0.00001926129292
                4s
                   +0 :               0.00001584320156
                3p
                   -1 :               0.00003444378819
                   +0 :              -0.00021407014380
                   +1 :              -0.00044659279846
                4p
                   -1 :              -0.00001704379812
                   +0 :               0.00004344452537
                   +1 :               0.00011760899374
                3d
                   -2 :               0.00005362578271
                   -1 :              -0.00001041192868
                   +0 :              -0.00003166110530
                   +1 :               0.00019591133290
                   +2 :               0.00000224235189
              8 vec=     7.570358    -10.359920     -6.601898   |vec|=   14.429945
                2s
                   +0 :              -0.00012659844310
                2p
                   -1 :              -0.00000025818716
                   +0 :               0.00009582780170
                   +1 :              -0.00004541333109
                3s
                   +0 :               0.00098011330530
                4s
                   +0 :              -0.00036436655731
                3p
                   -1 :              -0.00030315573093
                   +0 :              -0.00062552110698
                   +1 :               0.00038935993029
                4p
                   -1 :               0.00018046031954
                   +0 :               0.00014552872381
                   +1 :              -0.00012973833772
                3d
                   -2 :              -0.00008509396388
                   -1 :               0.00002326052047
                   +0 :               0.00001011916415
                   +1 :              -0.00004006907830
                   +2 :              -0.00002134620738
              9 vec=    -7.989968    -10.359920     -6.601898   |vec|=   14.654439
                2s
                   +0 :               0.00001327867375
                2p
                   -1 :               0.00002582456024
                   +0 :              -0.00001250390222
                   +1 :              -0.00000469370256
                3s
                   +0 :              -0.00054242083621
                4s
                   +0 :               0.00018448649822
                3p
                   -1 :              -0.00012897135182
                   +0 :               0.00012400965301
                   +1 :               0.00013106976043
                4p
                   -1 :               0.00003652176715
                   +0 :              -0.00008367910648
                   +1 :              -0.00006849311176
                3d
                   -2 :              -0.00001105750991
                   -1 :               0.00000551429126
                   +0 :              -0.00020188494997
                   +1 :               0.00006851752565
                   +2 :              -0.00009389543987
             10 vec=    -0.209805    -14.851799     -6.601898   |vec|=   16.254384
                2s
                   +0 :               0.00010549483265
                2p
                   -1 :              -0.00002698678424
                   +0 :               0.00001014498300
                   +1 :              -0.00001953265347
                3s
                   +0 :              -0.00042073026038
                4s
                   +0 :               0.00010499927676
                3p
                   -1 :               0.00013526209870
                   +0 :              -0.00004261701560
                   +1 :               0.00011793637277
                4p
                   -1 :              -0.00002780195704
                   +0 :               0.00000055353277
                   +1 :              -0.00001847098294
                3d
                   -2 :              -0.00004457614437
                   -1 :               0.00001123194633
                   +0 :              -0.00003078589258
                   +1 :              -0.00001928073570
                   +2 :               0.00002413312837
             11 vec=    15.350520      3.115717     -6.601898   |vec|=   16.997977
                2s
                   +0 :              -0.00010653274279
                2p
                   -1 :              -0.00000096408897
                   +0 :               0.00001079617002
                   +1 :              -0.00000915023838
                3s
                   +0 :               0.00098896206734
                4s
                   +0 :              -0.00015253243578
                3p
                   -1 :               0.00010533916200
                   +0 :              -0.00028123399867
                   +1 :               0.00020934874093
                4p
                   -1 :               0.00001214245703
                   +0 :               0.00003234269136
                   +1 :              -0.00000854157465
                3d
                   -2 :               0.00002570023428
                   -1 :              -0.00002908787912
                   +0 :               0.00002461680744
                   +1 :              -0.00006397158266
                   +2 :               0.00008170418728
             12 vec=   -15.770130      3.115717     -6.601898   |vec|=   17.377853
                2s
                   +0 :               0.00009970288048
                2p
                   -1 :               0.00002162923463
                   +0 :              -0.00001277693031
                   +1 :               0.00002220878044
                3s
                   +0 :              -0.00081074901308
                4s
                   +0 :               0.00013865711850
                3p
                   -1 :              -0.00019981160126
                   +0 :               0.00016213234655
                   +1 :              -0.00003966784503
                4p
                   -1 :               0.00004795906558
                   +0 :              -0.00001062052910
                   +1 :               0.00003675802426
                3d
                   -2 :               0.00004464859538
                   -1 :               0.00002382988598
                   +0 :              -0.00005676128830
                   +1 :              -0.00001717107697
                   +2 :              -0.00000341311406
             13 vec=    15.350520     -5.868041     -6.601898   |vec|=   17.710376
                2s
                   +0 :              -0.00005830103572
                2p
                   -1 :               0.00003033412859
                   +0 :              -0.00000803339278
                   +1 :               0.00001861722310
                3s
                   +0 :               0.00039504779975
                4s
                   +0 :              -0.00008053054843
                3p
                   -1 :              -0.00018727042126
                   +0 :               0.00003649227201
                   +1 :              -0.00008213920217
                4p
                   -1 :               0.00003671930791
                   +0 :              -0.00000828498899
                   +1 :               0.00003170074559
                3d
                   -2 :               0.00000654383797
                   -1 :               0.00001098764480
                   +0 :               0.00003581016821
                   +1 :               0.00003653833896
                   +2 :               0.00000724760298
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site Al( 12)  npairs=  15
              1 vec=    -0.209805      3.115717     10.693319   |vec|=   11.139963
                2s
                   +0 :               0.00049653665222
                2p
                   -1 :              -0.00038215688350
                   +0 :               0.00010703276200
                   +1 :               0.00012312089521
                3s
                   +0 :              -0.00307957297397
                4s
                   +0 :               0.00060574225251
                3p
                   -1 :               0.00163716034352
                   +0 :              -0.00097644230581
                   +1 :              -0.00147006274943
                4p
                   -1 :              -0.00044881028498
                   +0 :               0.00001689323941
                   +1 :               0.00012716704517
                3d
                   -2 :               0.00044687508782
                   -1 :               0.00009084577216
                   +0 :               0.00012204909058
                   +1 :              -0.00014847700615
                   +2 :               0.00016733548315
              2 vec=    -0.209805     -5.868041     10.693319   |vec|=   12.199385
                2s
                   +0 :               0.00047427108005
                2p
                   -1 :              -0.00013851847804
                   +0 :               0.00012117641946
                   +1 :              -0.00044619110768
                3s
                   +0 :               0.00016666355157
                4s
                   +0 :               0.00018166342170
                3p
                   -1 :               0.00007612532054
                   +0 :               0.00108656524584
                   +1 :               0.00349410277087
                4p
                   -1 :               0.00001731868713
                   +0 :              -0.00013518264302
                   +1 :              -0.00045542940979
                3d
                   -2 :              -0.00034047126191
                   -1 :              -0.00021555454290
                   +0 :               0.00070325032797
                   +1 :               0.00086854533231
                   +2 :              -0.00026585014871
              3 vec=     7.570358     -1.376162     10.693319   |vec|=   13.173883
                2s
                   +0 :              -0.00023810947119
                2p
                   -1 :              -0.00009019331936
                   +0 :              -0.00008569182000
                   +1 :              -0.00005133825208
                3s
                   +0 :               0.00153848475998
                4s
                   +0 :              -0.00024780486489
                3p
                   -1 :               0.00033079114321
                   +0 :               0.00124569498453
                   +1 :               0.00072658732222
                4p
                   -1 :              -0.00019593483018
                   +0 :              -0.00012279442135
                   +1 :               0.00000166125187
                3d
                   -2 :               0.00002770916614
                   -1 :               0.00003722749149
                   +0 :              -0.00000872852226
                   +1 :               0.00033049585834
                   +2 :               0.00016957347276
              4 vec=    -7.989968     -1.376162     10.693319   |vec|=   13.419406
                2s
                   +0 :              -0.00033836377621
                2p
                   -1 :              -0.00022933299201
                   +0 :              -0.00010528280997
                   +1 :              -0.00012546609497
                3s
                   +0 :               0.00024678934733
                4s
                   +0 :              -0.00037601879588
                3p
                   -1 :               0.00260328255807
                   +0 :              -0.00088493885489
                   +1 :               0.00223259493046
                4p
                   -1 :              -0.00016990085941
                   +0 :               0.00000264063463
                   +1 :              -0.00036484181368
                3d
                   -2 :               0.00011859524592
                   -1 :               0.00045880053605
                   +0 :              -0.00062796911473
                   +1 :               0.00060503936945
                   +2 :              -0.00068639884833
              5 vec=    -0.209805      3.115717    -13.854224   |vec|=   14.201804
                2s
                   +0 :              -0.00005854762982
                2p
                   -1 :               0.00002637965918
                   +0 :               0.00005607132204
                   +1 :               0.00005504387863
                3s
                   +0 :               0.00041297804526
                4s
                   +0 :              -0.00010647441725
                3p
                   -1 :              -0.00025016316000
                   +0 :              -0.00034271674796
                   +1 :              -0.00031673920185
                4p
                   -1 :               0.00010343424539
                   +0 :               0.00010482115100
                   +1 :               0.00006782829410
                3d
                   -2 :               0.00000887671983
                   -1 :              -0.00002107754933
                   +0 :               0.00001874968879
                   +1 :               0.00000772012071
                   +2 :              -0.00002777912474
              6 vec=    -0.209805     -5.868041    -13.854224   |vec|=   15.047174
                2s
                   +0 :              -0.00002178341405
                2p
                   -1 :              -0.00005915532995
                   +0 :               0.00002640995448
                   +1 :              -0.00002560320833
                3s
                   +0 :               0.00012280759439
                4s
                   +0 :              -0.00000799816966
                3p
                   -1 :               0.00022497473232
                   +0 :              -0.00016751018817
                   +1 :               0.00010248627842
                4p
                   -1 :              -0.00006607252573
                   +0 :               0.00002618552993
                   +1 :              -0.00003816163949
                3d
                   -2 :               0.00004157599258
                   -1 :               0.00001794292866
                   +0 :               0.00002430204020
                   +1 :               0.00003207538245
                   +2 :               0.00000940785976
              7 vec=     7.570358      7.607596     10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00002883542430
                2p
                   -1 :               0.00001871827389
                   +0 :               0.00001877272481
                   +1 :              -0.00008345198638
                3s
                   +0 :               0.00033684159861
                4s
                   +0 :              -0.00013691990405
                3p
                   -1 :               0.00020690897701
                   +0 :               0.00020616719596
                   +1 :               0.00032653972728
                4p
                   -1 :              -0.00003979502745
                   +0 :              -0.00007573913816
                   +1 :              -0.00011436057220
                3d
                   -2 :               0.00005331427120
                   -1 :               0.00007786765303
                   +0 :               0.00007049406280
                   +1 :              -0.00000153061185
                   +2 :              -0.00000422065890
              8 vec=    -7.989968      7.607596     10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00007606448400
                2p
                   -1 :               0.00003897591133
                   +0 :              -0.00003775559445
                   +1 :               0.00001163819562
                3s
                   +0 :              -0.00076844379982
                4s
                   +0 :               0.00019469516956
                3p
                   -1 :              -0.00052712626190
                   +0 :               0.00018701221645
                   +1 :              -0.00000501381834
                4p
                   -1 :               0.00012613487377
                   +0 :              -0.00004209009501
                   +1 :              -0.00001236582056
                3d
                   -2 :               0.00001524021366
                   -1 :              -0.00005035572896
                   +0 :              -0.00001339207504
                   +1 :              -0.00004976442738
                   +2 :               0.00008754601008
              9 vec=     7.570358     -1.376162    -13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00000346600520
                2p
                   -1 :               0.00001272916491
                   +0 :               0.00002902840638
                   +1 :               0.00000990310202
                3s
                   +0 :               0.00025136072721
                4s
                   +0 :              -0.00009251229028
                3p
                   -1 :              -0.00009596837928
                   +0 :              -0.00035892351861
                   +1 :              -0.00005610581108
                4p
                   -1 :               0.00002507853916
                   +0 :               0.00014324380506
                   +1 :              -0.00001159306640
                3d
                   -2 :               0.00002005410817
                   -1 :               0.00001626443765
                   +0 :               0.00009730040953
                   +1 :              -0.00004157222161
                   +2 :              -0.00005398238246
             10 vec=    -7.989968     -1.376162    -13.854224   |vec|=   16.052194
                2s
                   +0 :              -0.00000865705191
                2p
                   -1 :               0.00000954262299
                   +0 :               0.00001369895131
                   +1 :               0.00000975404219
                3s
                   +0 :              -0.00023946881431
                4s
                   +0 :               0.00006110208666
                3p
                   -1 :              -0.00001694075250
                   +0 :               0.00004470995214
                   +1 :              -0.00008128850702
                4p
                   -1 :              -0.00001574727968
                   +0 :              -0.00004784013188
                   +1 :               0.00002313015207
                3d
                   -2 :               0.00000511788248
                   -1 :              -0.00006122522781
                   +0 :              -0.00001213812393
                   +1 :               0.00003020895897
                   +2 :              -0.00002679259313
             11 vec=    -0.209805     12.099475     10.693319   |vec|=   16.148943
                2s
                   +0 :               0.00004613320858
                2p
                   -1 :               0.00002292237895
                   +0 :               0.00003742209854
                   +1 :               0.00001537497042
                3s
                   +0 :              -0.00037508911600
                4s
                   +0 :               0.00009301796230
                3p
                   -1 :              -0.00021061396980
                   +0 :              -0.00024363837620
                   +1 :              -0.00000268511681
                4p
                   -1 :               0.00004414893647
                   +0 :               0.00006134491246
                   +1 :               0.00003154231421
                3d
                   -2 :              -0.00003545811251
                   -1 :              -0.00007750198126
                   +0 :              -0.00005958436799
                   +1 :              -0.00000408377026
                   +2 :               0.00000143876720
             12 vec=     7.570358    -10.359920     10.693319   |vec|=   16.702854
                2s
                   +0 :               0.00014732037514
                2p
                   -1 :              -0.00005549845925
                   +0 :               0.00009234869344
                   +1 :               0.00001424214292
                3s
                   +0 :              -0.00089674004358
                4s
                   +0 :               0.00028917425440
                3p
                   -1 :               0.00032600544713
                   +0 :              -0.00056308907136
                   +1 :              -0.00005273846766
                4p
                   -1 :              -0.00011334968589
                   +0 :               0.00015392538269
                   +1 :               0.00003045983352
                3d
                   -2 :               0.00000412046228
                   -1 :               0.00010047605605
                   +0 :              -0.00011248513032
                   +1 :              -0.00003521355380
                   +2 :               0.00007618274607
             13 vec=    -7.989968    -10.359920     10.693319   |vec|=   16.897177
                2s
                   +0 :              -0.00018018907859
                2p
                   -1 :               0.00006309183031
                   +0 :               0.00001842921081
                   +1 :               0.00001092838210
                3s
                   +0 :               0.00117865668788
                4s
                   +0 :              -0.00028642366399
                3p
                   -1 :              -0.00061636985248
                   +0 :              -0.00027989772990
                   +1 :              -0.00022153065130
                4p
                   -1 :               0.00018066598142
                   +0 :               0.00004357025418
                   +1 :               0.00007034307304
                3d
                   -2 :               0.00003582725695
                   -1 :               0.00001832498275
                   +0 :               0.00009365861471
                   +1 :               0.00000895229436
                   +2 :               0.00001996257695
             14 vec=     7.570358      7.607596    -13.854224   |vec|=   17.524992
                2s
                   +0 :              -0.00004692742544
                2p
                   -1 :               0.00001038257040
                   +0 :               0.00000250837441
                   +1 :               0.00001176323147
                3s
                   +0 :               0.00088238327204
                4s
                   +0 :              -0.00006302570678
                3p
                   -1 :               0.00016878259192
                   +0 :              -0.00018785814146
                   +1 :               0.00037244497818
                4p
                   -1 :               0.00001173707036
                   +0 :               0.00006194075373
                   +1 :               0.00001487694501
                3d
                   -2 :               0.00010242138988
                   -1 :               0.00000390215688
                   +0 :              -0.00006530863316
                   +1 :              -0.00001983238951
                   +2 :               0.00007723324698
             15 vec=    -7.989968      7.607596    -13.854224   |vec|=   17.710297
                2s
                   +0 :               0.00003777472385
                2p
                   -1 :              -0.00000346800202
                   +0 :               0.00001017425148
                   +1 :               0.00000209544739
                3s
                   +0 :              -0.00036834261090
                4s
                   +0 :               0.00007011862395
                3p
                   -1 :              -0.00006699059067
                   +0 :               0.00003162825056
                   +1 :               0.00004404747064
                4p
                   -1 :              -0.00000857200469
                   +0 :              -0.00001649322694
                   +1 :              -0.00000736202847
                3d
                   -2 :               0.00002243142829
                   -1 :              -0.00000004048881
                   +0 :               0.00002019335379
                   +1 :               0.00002678622031
                   +2 :               0.00001510080324
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 13)  npairs=  14
              1 vec=    -0.419351     -2.752474      4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00250087921681
                2s
                   +0 :              -0.01846577237958
                3s
                   +0 :               0.00397964098599
                2p
                   -1 :               0.00554422837800
                   +0 :              -0.00305305112345
                   +1 :              -0.00345923454075
                3p
                   -1 :              -0.00622078384687
                   +0 :               0.00036485660968
                   +1 :              -0.00326894711115
                3d
                   -2 :               0.00167443069825
                   -1 :               0.00089933773926
                   +0 :              -0.00152592150601
                   +1 :              -0.00265636992965
                   +2 :               0.00005064720725
              2 vec=    -0.419351      6.231284      4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00005870791324
                2s
                   +0 :              -0.00141382525379
                3s
                   +0 :              -0.00036297869222
                2p
                   -1 :              -0.00146743821902
                   +0 :               0.00179459855454
                   +1 :              -0.00235043216998
                3p
                   -1 :               0.00032049297104
                   +0 :              -0.00118463036883
                   +1 :               0.00094573711876
                3d
                   -2 :              -0.00002701917441
                   -1 :               0.00005607014965
                   +0 :               0.00002971174744
                   +1 :              -0.00004106182260
                   +2 :              -0.00004330733630
              3 vec=     7.360812      1.739405      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00045301719918
                2s
                   +0 :               0.00335449005038
                3s
                   +0 :              -0.00061779014175
                2p
                   -1 :              -0.00060801627235
                   +0 :               0.00082167117504
                   +1 :               0.00390623717414
                3p
                   -1 :               0.00174795878929
                   +0 :               0.00123756767499
                   +1 :              -0.00191428009239
                3d
                   -2 :               0.00012433673475
                   -1 :               0.00046486078881
                   +0 :               0.00016778652496
                   +1 :              -0.00009935740254
                   +2 :               0.00000898029969
              4 vec=    -8.199513      1.739405      4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00038243022969
                2s
                   +0 :              -0.00219724787932
                3s
                   +0 :               0.00050433120325
                2p
                   -1 :               0.00135632185386
                   +0 :              -0.00243666374251
                   +1 :               0.00195210894596
                3p
                   -1 :              -0.00006031039839
                   +0 :               0.00051003912645
                   +1 :              -0.00088086493495
                3d
                   -2 :              -0.00008553927135
                   -1 :              -0.00017762748311
                   +0 :              -0.00015059848408
                   +1 :              -0.00016169777370
                   +2 :               0.00003025323894
              5 vec=     7.360812     -7.244353      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00019942254037
                2s
                   +0 :              -0.00180593059218
                3s
                   +0 :               0.00035686307359
                2p
                   -1 :              -0.00157013461640
                   +0 :               0.00023137495624
                   +1 :               0.00057943048799
                3p
                   -1 :               0.00162604024496
                   +0 :              -0.00008288777034
                   +1 :              -0.00054619755186
                3d
                   -2 :               0.00018986305218
                   -1 :               0.00002029902235
                   +0 :               0.00022340966706
                   +1 :               0.00002790789926
                   +2 :               0.00010674633672
              6 vec=    -8.199513     -7.244353      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00031438779483
                2s
                   +0 :               0.00298215628291
                3s
                   +0 :              -0.00003994030610
                2p
                   -1 :              -0.00067547554387
                   +0 :              -0.00027446831542
                   +1 :              -0.00190970180018
                3p
                   -1 :              -0.00086599596928
                   +0 :              -0.00076343512964
                   +1 :               0.00097976140794
                3d
                   -2 :               0.00010110050541
                   -1 :               0.00016029703113
                   +0 :              -0.00007034290248
                   +1 :               0.00009900312974
                   +2 :              -0.00015727351267
              7 vec=    -0.419351    -11.736232      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00003682896048
                2s
                   +0 :               0.00033215729750
                3s
                   +0 :              -0.00011575891197
                2p
                   -1 :               0.00023920532079
                   +0 :               0.00027447769650
                   +1 :               0.00037280966364
                3p
                   -1 :              -0.00027298287718
                   +0 :              -0.00008898621959
                   +1 :               0.00008008125097
                3d
                   -2 :              -0.00001750602370
                   -1 :              -0.00000107348699
                   +0 :              -0.00003818576148
                   +1 :              -0.00000099408976
                   +2 :              -0.00002716561795
              8 vec=     7.360812     10.723163      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00004998812325
                2s
                   +0 :               0.00068354663771
                3s
                   +0 :              -0.00002205177198
                2p
                   -1 :               0.00025127609731
                   +0 :               0.00047167491050
                   +1 :              -0.00006437099201
                3p
                   -1 :               0.00005158416546
                   +0 :              -0.00012818647597
                   +1 :               0.00017039770613
                3d
                   -2 :               0.00002595889940
                   -1 :               0.00000329089628
                   +0 :               0.00001466947684
                   +1 :               0.00001335104271
                   +2 :              -0.00002484989516
              9 vec=    -8.199513     10.723163      4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00018088229553
                2s
                   +0 :              -0.00164964432788
                3s
                   +0 :               0.00031850512724
                2p
                   -1 :              -0.00062381758008
                   +0 :              -0.00001984506045
                   +1 :               0.00034052023967
                3p
                   -1 :               0.00001998245216
                   +0 :              -0.00011114893614
                   +1 :              -0.00007826354622
                3d
                   -2 :               0.00000689183001
                   -1 :              -0.00003202618361
                   +0 :              -0.00000129754039
                   +1 :              -0.00001399965549
                   +2 :               0.00002509890651
             10 vec=    -0.419351     15.215042      4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000817853825
                2s
                   +0 :               0.00006160890030
                3s
                   +0 :               0.00000658194864
                2p
                   -1 :               0.00014832801348
                   +0 :              -0.00010587293753
                   +1 :               0.00000266976649
                3p
                   -1 :              -0.00004064322581
                   +0 :               0.00010462888249
                   +1 :               0.00000259850165
                3d
                   -2 :               0.00000752402291
                   -1 :              -0.00000343252906
                   +0 :              -0.00000167494475
                   +1 :               0.00000346234779
                   +2 :               0.00000804548685
             11 vec=    15.140975     -2.752474      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00002552492517
                2s
                   +0 :               0.00006643394023
                3s
                   +0 :              -0.00015708602824
                2p
                   -1 :              -0.00027329278799
                   +0 :              -0.00031688936239
                   +1 :              -0.00002533253417
                3p
                   -1 :               0.00014054584397
                   +0 :               0.00007964779032
                   +1 :              -0.00011859876371
                3d
                   -2 :               0.00002812535648
                   -1 :               0.00001127961986
                   +0 :              -0.00002085037939
                   +1 :              -0.00005014570118
                   +2 :              -0.00003711212329
             12 vec=   -15.979676     -2.752474      4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00010608838479
                2s
                   +0 :               0.00112582288347
                3s
                   +0 :              -0.00014470042981
                2p
                   -1 :               0.00028327915185
                   +0 :              -0.00037064270222
                   +1 :              -0.00076908143339
                3p
                   -1 :              -0.00004590788409
                   +0 :               0.00007558763833
                   +1 :               0.00001112561610
                3d
                   -2 :              -0.00000549659656
                   -1 :               0.00002520994175
                   +0 :              -0.00002745306695
                   +1 :              -0.00002350782334
                   +2 :               0.00005636351857
             13 vec=    15.140975      6.231284      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00005848409950
                2s
                   +0 :               0.00050404486400
                3s
                   +0 :              -0.00012718175100
                2p
                   -1 :              -0.00017131067003
                   +0 :              -0.00003771817004
                   +1 :               0.00038868395716
                3p
                   -1 :               0.00020068096130
                   +0 :               0.00010862211517
                   +1 :              -0.00023244821643
                3d
                   -2 :               0.00002971605755
                   -1 :              -0.00000002103130
                   +0 :               0.00000623697302
                   +1 :               0.00001918051033
                   +2 :              -0.00001805849373
             14 vec=   -15.979676      6.231284      4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00004138066045
                2s
                   +0 :              -0.00038156220880
                3s
                   +0 :               0.00007885639676
                2p
                   -1 :               0.00007644698789
                   +0 :              -0.00000129079546
                   +1 :               0.00000475641479
                3p
                   -1 :              -0.00008468149492
                   +0 :              -0.00006247368800
                   +1 :               0.00009879621059
                3d
                   -2 :               0.00000018223149
                   -1 :              -0.00000606972036
                   +0 :              -0.00000187901970
                   +1 :              -0.00000199473305
                   +2 :               0.00000600041889
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 14)  npairs=  14
              1 vec=     2.593128      1.739405      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00027624399353
                2s
                   +0 :               0.02945195275879
                3s
                   +0 :               0.00112063302223
                2p
                   -1 :               0.00358375011260
                   +0 :               0.02020933568431
                   +1 :               0.00285015218386
                3p
                   -1 :               0.00555970800912
                   +0 :               0.00058390211401
                   +1 :               0.00254581239983
                3d
                   -2 :               0.00047844378455
                   -1 :               0.00098095727349
                   +0 :               0.00102891641591
                   +1 :               0.00154073862050
                   +2 :              -0.00023985002120
              2 vec=    -5.187034     -2.752474      4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00255165529830
                2s
                   +0 :               0.01347572488296
                3s
                   +0 :              -0.00179800053319
                2p
                   -1 :               0.00180722643296
                   +0 :               0.00029190437647
                   +1 :               0.00434761130812
                3p
                   -1 :               0.00064290229879
                   +0 :              -0.00066567476766
                   +1 :              -0.00348623375995
                3d
                   -2 :               0.00069250879220
                   -1 :              -0.00081569396747
                   +0 :               0.00075728583015
                   +1 :              -0.00192061184190
                   +2 :               0.00107370212514
              3 vec=     2.593128     -7.244353      4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00004009898122
                2s
                   +0 :              -0.00140378307963
                3s
                   +0 :              -0.00040342926699
                2p
                   -1 :               0.00081907382510
                   +0 :               0.00227232108344
                   +1 :              -0.00405897503320
                3p
                   -1 :               0.00004327785067
                   +0 :              -0.00044246555009
                   +1 :               0.00212422715909
                3d
                   -2 :              -0.00004652677001
                   -1 :              -0.00013825740888
                   +0 :               0.00018048120883
                   +1 :              -0.00003130016539
                   +2 :               0.00004119647557
              4 vec=    -5.187034      6.231284      4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00026045764461
                2s
                   +0 :              -0.00247044380470
                3s
                   +0 :              -0.00014957704591
                2p
                   -1 :              -0.00078007641655
                   +0 :              -0.00021272199538
                   +1 :               0.00133417148317
                3p
                   -1 :              -0.00043718152405
                   +0 :              -0.00002631894595
                   +1 :              -0.00076729303687
                3d
                   -2 :               0.00010781964858
                   -1 :               0.00019620873004
                   +0 :              -0.00000447949969
                   +1 :              -0.00005916772602
                   +2 :               0.00002863284181
              5 vec=    10.373291     -2.752474      4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00012419937046
                2s
                   +0 :              -0.00027288909397
                3s
                   +0 :               0.00084218395037
                2p
                   -1 :              -0.00080826479870
                   +0 :               0.00064145774057
                   +1 :              -0.00116661527229
                3p
                   -1 :               0.00000573106308
                   +0 :               0.00041538865069
                   +1 :               0.00170550137753
                3d
                   -2 :              -0.00003360687009
                   -1 :              -0.00009849804640
                   +0 :               0.00001023329945
                   +1 :               0.00000761168985
                   +2 :               0.00004793356733
              6 vec=     2.593128     10.723163      4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00002425288901
                2s
                   +0 :               0.00000514427248
                3s
                   +0 :              -0.00001925097623
                2p
                   -1 :               0.00010519739582
                   +0 :               0.00029472255752
                   +1 :              -0.00016077237495
                3p
                   -1 :              -0.00009932554080
                   +0 :              -0.00002736168942
                   +1 :              -0.00021912615327
                3d
                   -2 :              -0.00005373810159
                   -1 :              -0.00002438087880
                   +0 :               0.00000774048172
                   +1 :              -0.00004163024755
                   +2 :               0.00001785823035
              7 vec=    10.373291      6.231284      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00014721739747
                2s
                   +0 :               0.00144161228589
                3s
                   +0 :              -0.00032559170966
                2p
                   -1 :              -0.00031500636314
                   +0 :              -0.00027007287357
                   +1 :              -0.00062911315649
                3p
                   -1 :               0.00051877681824
                   +0 :               0.00049374948069
                   +1 :               0.00082321508220
                3d
                   -2 :               0.00000491370193
                   -1 :              -0.00000393742372
                   +0 :               0.00002202603535
                   +1 :               0.00001937632108
                   +2 :              -0.00001497726371
              8 vec=    -5.187034    -11.736232      4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00009950748696
                2s
                   +0 :              -0.00084428962403
                3s
                   +0 :               0.00009677151597
                2p
                   -1 :              -0.00015398164335
                   +0 :              -0.00056761787317
                   +1 :               0.00101507140478
                3p
                   -1 :               0.00042980227733
                   +0 :              -0.00009259091936
                   +1 :              -0.00071975151738
                3d
                   -2 :               0.00001806828957
                   -1 :               0.00007243854686
                   +0 :              -0.00000364307556
                   +1 :              -0.00006119923346
                   +2 :               0.00006588004355
              9 vec=   -12.967197      1.739405      4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00003920626838
                2s
                   +0 :              -0.00023806065536
                3s
                   +0 :              -0.00025690641777
                2p
                   -1 :               0.00046667359327
                   +0 :              -0.00004327503820
                   +1 :               0.00060940267723
                3p
                   -1 :              -0.00026592635473
                   +0 :              -0.00017007528465
                   +1 :              -0.00027943320850
                3d
                   -2 :               0.00002048088936
                   -1 :              -0.00000416238476
                   +0 :              -0.00003218822132
                   +1 :               0.00000729852375
                   +2 :              -0.00004125339210
             10 vec=   -12.967197     -7.244353      4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00005700400790
                2s
                   +0 :               0.00063401794237
                3s
                   +0 :               0.00004056328147
                2p
                   -1 :               0.00001086723708
                   +0 :               0.00021024826406
                   +1 :               0.00037480552461
                3p
                   -1 :              -0.00013550134014
                   +0 :              -0.00017286611488
                   +1 :              -0.00042866811540
                3d
                   -2 :              -0.00003076962432
                   -1 :              -0.00002964293412
                   +0 :              -0.00002713966888
                   +1 :               0.00001035216000
                   +2 :              -0.00000663206704
             11 vec=    10.373291    -11.736232      4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00005918170170
                2s
                   +0 :              -0.00048766198593
                3s
                   +0 :               0.00016663498557
                2p
                   -1 :               0.00033218171910
                   +0 :               0.00032049941438
                   +1 :              -0.00061600632200
                3p
                   -1 :              -0.00025581398815
                   +0 :              -0.00007987402250
                   +1 :               0.00032482444652
                3d
                   -2 :              -0.00000919443198
                   -1 :              -0.00001072897995
                   +0 :              -0.00000188567332
                   +1 :              -0.00000186597821
                   +2 :               0.00000409527591
             12 vec=    -5.187034     15.215042      4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00000705374140
                2s
                   +0 :              -0.00000162134583
                3s
                   +0 :               0.00000669658887
                2p
                   -1 :               0.00009337682039
                   +0 :               0.00009556670101
                   +1 :              -0.00014208196025
                3p
                   -1 :              -0.00006342676416
                   +0 :              -0.00010238080189
                   +1 :               0.00000195866293
                3d
                   -2 :              -0.00000439520261
                   -1 :              -0.00000437749001
                   +0 :              -0.00000698508502
                   +1 :              -0.00000084479532
                   +2 :              -0.00000606268302
             13 vec=     2.593128    -16.228111      4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00000162252251
                2s
                   +0 :              -0.00005000681483
                3s
                   +0 :              -0.00002196210938
                2p
                   -1 :              -0.00006904513200
                   +0 :               0.00000972972930
                   +1 :               0.00009212177369
                3p
                   -1 :               0.00005760345520
                   +0 :              -0.00001380498849
                   +1 :              -0.00000697522131
                3d
                   -2 :              -0.00000308618833
                   -1 :               0.00000425165382
                   +0 :               0.00000045141752
                   +1 :              -0.00000093950395
                   +2 :              -0.00000303168693
             14 vec=   -12.967197     10.723163      4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00005471508625
                2s
                   +0 :              -0.00054910399719
                3s
                   +0 :               0.00009003176367
                2p
                   -1 :              -0.00014301540166
                   +0 :              -0.00017660091045
                   +1 :               0.00024829783977
                3p
                   -1 :               0.00008839688415
                   +0 :               0.00007003360503
                   +1 :              -0.00013053547405
                3d
                   -2 :               0.00000621692321
                   -1 :               0.00000551997020
                   +0 :              -0.00000616324935
                   +1 :              -0.00000102079418
                   +2 :               0.00000381285361
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 15)  npairs=  14
              1 vec=    -2.803193      1.376461      4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00242570268170
                2s
                   +0 :              -0.03764046820206
                3s
                   +0 :               0.00253856030325
                2p
                   -1 :              -0.00584485601737
                   +0 :              -0.01570470052966
                   +1 :               0.00493697676272
                3p
                   -1 :               0.00111701532064
                   +0 :               0.00018346524020
                   +1 :               0.00030141751487
                3d
                   -2 :               0.00041587898050
                   -1 :              -0.00231536412245
                   +0 :              -0.00149637164863
                   +1 :               0.00121050246539
                   +2 :               0.00066392524219
              2 vec=     4.976970     -3.115418      4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00181000292139
                2s
                   +0 :               0.01199477388074
                3s
                   +0 :              -0.00605278542489
                2p
                   -1 :              -0.00184908536647
                   +0 :               0.00066554730878
                   +1 :               0.00988033967798
                3p
                   -1 :              -0.00017200530153
                   +0 :               0.00137950071610
                   +1 :              -0.00839278648210
                3d
                   -2 :               0.00046427590380
                   -1 :               0.00022528325933
                   +0 :               0.00044363054812
                   +1 :              -0.00007234507161
                   +2 :              -0.00044091103747
              3 vec=     4.976970      5.868340      4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00049908344224
                2s
                   +0 :               0.00313780918957
                3s
                   +0 :              -0.00110136654149
                2p
                   -1 :               0.00379695499678
                   +0 :              -0.00063717504863
                   +1 :               0.00065968522357
                3p
                   -1 :              -0.00189875206897
                   +0 :               0.00051913404905
                   +1 :               0.00008631383647
                3d
                   -2 :               0.00012518081641
                   -1 :               0.00003559725775
                   +0 :              -0.00005889144754
                   +1 :               0.00000325172870
                   +2 :              -0.00011687582223
              4 vec=    -2.803193     -7.607297      4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00014822820327
                2s
                   +0 :               0.00083258586785
                3s
                   +0 :              -0.00063076666833
                2p
                   -1 :              -0.00275428514411
                   +0 :              -0.00264006370080
                   +1 :              -0.00130405451745
                3p
                   -1 :               0.00183296835709
                   +0 :               0.00136708597546
                   +1 :               0.00168978260085
                3d
                   -2 :              -0.00018742332961
                   -1 :              -0.00004029452224
                   +0 :              -0.00003518320197
                   +1 :              -0.00000198679790
                   +2 :               0.00004152245468
              5 vec=    -2.803193     10.360219      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00005609919251
                2s
                   +0 :              -0.00009010862063
                3s
                   +0 :               0.00023601072895
                2p
                   -1 :              -0.00021221342944
                   +0 :               0.00037980723981
                   +1 :              -0.00037790018984
                3p
                   -1 :               0.00018941218354
                   +0 :              -0.00025952384024
                   +1 :              -0.00007781076622
                3d
                   -2 :              -0.00005021121213
                   -1 :               0.00004566885652
                   +0 :               0.00003374330414
                   +1 :              -0.00003359556522
                   +2 :              -0.00006783983894
              6 vec=   -10.583355     -3.115418      4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00034839185144
                2s
                   +0 :               0.00426623454356
                3s
                   +0 :              -0.00028817933140
                2p
                   -1 :              -0.00098148875686
                   +0 :              -0.00164298756756
                   +1 :              -0.00312727486891
                3p
                   -1 :               0.00070313067449
                   +0 :               0.00017235448390
                   +1 :               0.00064480370904
                3d
                   -2 :              -0.00008442701951
                   -1 :               0.00005746025442
                   +0 :              -0.00014480522771
                   +1 :               0.00009109525061
                   +2 :               0.00019431276691
              7 vec=   -10.583355      5.868340      4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00010055273163
                2s
                   +0 :              -0.00124983439174
                3s
                   +0 :               0.00018309947430
                2p
                   -1 :              -0.00020315293097
                   +0 :              -0.00018462403256
                   +1 :               0.00014623072762
                3p
                   -1 :               0.00031167108560
                   +0 :              -0.00008168644519
                   +1 :               0.00028250168068
                3d
                   -2 :               0.00000095935114
                   -1 :               0.00006446462386
                   +0 :              -0.00001327603009
                   +1 :               0.00006965367138
                   +2 :              -0.00005215490362
              8 vec=    12.757133      1.376461      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00015456507568
                2s
                   +0 :               0.00167722910281
                3s
                   +0 :              -0.00019666009012
                2p
                   -1 :               0.00030389110875
                   +0 :               0.00091637789477
                   +1 :               0.00087626816297
                3p
                   -1 :              -0.00016738039996
                   +0 :              -0.00027769141203
                   +1 :              -0.00047237009703
                3d
                   -2 :              -0.00000133542022
                   -1 :               0.00003161510570
                   +0 :               0.00002471636455
                   +1 :               0.00000944617020
                   +2 :               0.00004924762509
              9 vec=     4.976970    -12.099176      4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00003446088584
                2s
                   +0 :              -0.00056865153119
                3s
                   +0 :               0.00004145676507
                2p
                   -1 :               0.00044441557652
                   +0 :               0.00028269156647
                   +1 :               0.00003592837706
                3p
                   -1 :              -0.00001363554257
                   +0 :              -0.00006092635022
                   +1 :              -0.00015526522767
                3d
                   -2 :               0.00004220874436
                   -1 :               0.00001277647408
                   +0 :               0.00001031914831
                   +1 :              -0.00002279600781
                   +2 :               0.00002703548221
             10 vec=    12.757133     -7.607297      4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00004712213232
                2s
                   +0 :               0.00037534842042
                3s
                   +0 :              -0.00014054951794
                2p
                   -1 :              -0.00030476012233
                   +0 :               0.00018599910547
                   +1 :               0.00012186287847
                3p
                   -1 :               0.00011137669555
                   +0 :              -0.00001860342388
                   +1 :              -0.00007561630337
                3d
                   -2 :              -0.00000353572675
                   -1 :               0.00001433339052
                   +0 :               0.00001110447522
                   +1 :               0.00001248720307
                   +2 :               0.00000753721925
             11 vec=     4.976970     14.852098      4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00004946104906
                2s
                   +0 :              -0.00045741088729
                3s
                   +0 :               0.00010457714163
                2p
                   -1 :              -0.00022550897418
                   +0 :              -0.00010875622262
                   +1 :              -0.00009435364069
                3p
                   -1 :               0.00008710163952
                   +0 :               0.00001334418213
                   +1 :               0.00001249628877
                3d
                   -2 :              -0.00001120885995
                   -1 :              -0.00002814862168
                   +0 :              -0.00000848948599
                   +1 :              -0.00000407973021
                   +2 :               0.00001272731069
             12 vec=   -10.583355    -12.099176      4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00009113595166
                2s
                   +0 :               0.00092900369802
                3s
                   +0 :              -0.00021053948365
                2p
                   -1 :              -0.00074099350115
                   +0 :              -0.00029960278420
                   +1 :              -0.00023508484244
                3p
                   -1 :               0.00019162527360
                   +0 :              -0.00004553131858
                   +1 :               0.00022746671062
                3d
                   -2 :               0.00001429530222
                   -1 :              -0.00000505422138
                   +0 :              -0.00001091658406
                   +1 :               0.00000421952498
                   +2 :              -0.00003578826624
             13 vec=    12.757133     10.360219      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00004990882965
                2s
                   +0 :               0.00034145775440
                3s
                   +0 :              -0.00014796837170
                2p
                   -1 :               0.00028974951099
                   +0 :              -0.00018239223105
                   +1 :               0.00017794724860
                3p
                   -1 :              -0.00025680045517
                   +0 :               0.00009606722348
                   +1 :              -0.00009156427615
                3d
                   -2 :              -0.00000495776037
                   -1 :               0.00000134333883
                   +0 :               0.00000343151370
                   +1 :              -0.00000401084693
                   +2 :               0.00002047072806
             14 vec=    -2.803193    -16.591055      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00002057785028
                2s
                   +0 :              -0.00015963161480
                3s
                   +0 :               0.00005961255628
                2p
                   -1 :              -0.00006418614281
                   +0 :               0.00003601024792
                   +1 :              -0.00009619524519
                3p
                   -1 :               0.00007178267874
                   +0 :              -0.00005903808296
                   +1 :               0.00006993222177
                3d
                   -2 :              -0.00000920141514
                   -1 :               0.00000154253997
                   +0 :              -0.00000762829958
                   +1 :               0.00000316915476
                   +2 :              -0.00000259333436
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 16)  npairs=  15
              1 vec=     2.593128     -4.491729     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00010040466606
                2s
                   +0 :              -0.00062151977520
                3s
                   +0 :               0.00018517046890
                2p
                   -1 :              -0.00043118251286
                   +0 :               0.00077648477422
                   +1 :              -0.00320367990646
                3p
                   -1 :               0.00052146132218
                   +0 :              -0.00042068788588
                   +1 :               0.00217523385334
                3d
                   -2 :               0.00000997721853
                   -1 :               0.00001909499408
                   +0 :              -0.00008917561302
                   +1 :              -0.00013288195323
                   +2 :               0.00000142509277
              2 vec=     2.593128      4.492029     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00060480526220
                2s
                   +0 :               0.00675455525477
                3s
                   +0 :              -0.00073548419621
                2p
                   -1 :               0.00303848341530
                   +0 :              -0.00543424449962
                   +1 :               0.00026105960753
                3p
                   -1 :               0.00010065236691
                   +0 :               0.00073636117885
                   +1 :              -0.00017007440001
                3d
                   -2 :               0.00000545868935
                   -1 :              -0.00030265033450
                   +0 :               0.00013486870754
                   +1 :              -0.00008299444825
                   +2 :              -0.00016895448421
              3 vec=    -5.187034      0.000150     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00029975715944
                2s
                   +0 :              -0.00252436024372
                3s
                   +0 :               0.00026162317708
                2p
                   -1 :               0.00108294662385
                   +0 :               0.00232735121636
                   +1 :              -0.00202206231570
                3p
                   -1 :               0.00022539301226
                   +0 :              -0.00058650981846
                   +1 :               0.00187843567028
                3d
                   -2 :              -0.00003940336914
                   -1 :              -0.00020665363445
                   +0 :               0.00006363565745
                   +1 :              -0.00016409789904
                   +2 :              -0.00008770026638
              4 vec=    10.373291      0.000150     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00009202415315
                2s
                   +0 :               0.00132606732713
                3s
                   +0 :              -0.00012476879266
                2p
                   -1 :              -0.00059617431530
                   +0 :              -0.00011001363884
                   +1 :               0.00082832048147
                3p
                   -1 :               0.00034784440019
                   +0 :              -0.00015523853974
                   +1 :              -0.00031563676620
                3d
                   -2 :              -0.00000338147250
                   -1 :               0.00002462233450
                   +0 :               0.00005588129907
                   +1 :               0.00000002816440
                   +2 :              -0.00001641393179
              5 vec=    -5.187034     -8.983608     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00004720671890
                2s
                   +0 :              -0.00052515087697
                3s
                   +0 :               0.00004216025852
                2p
                   -1 :               0.00041951947481
                   +0 :               0.00002853560676
                   +1 :              -0.00021145091199
                3p
                   -1 :              -0.00037193441143
                   +0 :               0.00012253848563
                   +1 :               0.00025421011005
                3d
                   -2 :               0.00002074082918
                   -1 :              -0.00000858042227
                   +0 :              -0.00000378834285
                   +1 :              -0.00003634082839
                   +2 :              -0.00001810460552
              6 vec=    -5.187034      8.983908     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00002374410766
                2s
                   +0 :              -0.00063131230149
                3s
                   +0 :               0.00000228556318
                2p
                   -1 :              -0.00048215074015
                   +0 :               0.00027860697305
                   +1 :               0.00009497659964
                3p
                   -1 :               0.00012477006054
                   +0 :              -0.00025842245037
                   +1 :              -0.00019873246867
                3d
                   -2 :               0.00000628980310
                   -1 :              -0.00000177286524
                   +0 :               0.00001354894426
                   +1 :               0.00002417406317
                   +2 :               0.00001741447596
              7 vec=    10.373291     -8.983608     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00001349957103
                2s
                   +0 :               0.00002594512249
                3s
                   +0 :               0.00009109503401
                2p
                   -1 :              -0.00001266213992
                   +0 :              -0.00019528994061
                   +1 :               0.00002265892047
                3p
                   -1 :              -0.00005858264206
                   +0 :               0.00014083676958
                   +1 :               0.00002961161899
                3d
                   -2 :              -0.00001254233812
                   -1 :               0.00001067939231
                   +0 :              -0.00002164035217
                   +1 :               0.00000438898153
                   +2 :              -0.00001138552524
              8 vec=     2.593128    -13.475487     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00003460691769
                2s
                   +0 :              -0.00026942303437
                3s
                   +0 :               0.00007487248904
                2p
                   -1 :               0.00015144534638
                   +0 :              -0.00004226177827
                   +1 :              -0.00034190184789
                3p
                   -1 :              -0.00009665153607
                   +0 :              -0.00003670810959
                   +1 :               0.00019370930805
                3d
                   -2 :               0.00000053407267
                   -1 :               0.00000052995153
                   +0 :               0.00000656448412
                   +1 :               0.00000397559972
                   +2 :               0.00001147102319
              9 vec=    10.373291      8.983908     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00006696376230
                2s
                   +0 :               0.00054303945514
                3s
                   +0 :              -0.00009033751315
                2p
                   -1 :               0.00010504138503
                   +0 :              -0.00005804825780
                   +1 :               0.00040960487932
                3p
                   -1 :              -0.00004491987153
                   +0 :               0.00003176144571
                   +1 :              -0.00024294353682
                3d
                   -2 :              -0.00000241987950
                   -1 :               0.00000748623616
                   +0 :               0.00001000300303
                   +1 :              -0.00000661025251
                   +2 :               0.00000090187464
             10 vec=     2.593128     13.475787     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00003051499160
                2s
                   +0 :               0.00022693443873
                3s
                   +0 :              -0.00008142433846
                2p
                   -1 :               0.00010932189069
                   +0 :              -0.00005300804346
                   +1 :              -0.00016152099880
                3p
                   -1 :              -0.00006769317419
                   +0 :               0.00004042128304
                   +1 :               0.00004512193530
                3d
                   -2 :               0.00000157057246
                   -1 :              -0.00000096937240
                   +0 :              -0.00001111253252
                   +1 :               0.00000973513323
                   +2 :               0.00000761534619
             11 vec=   -12.967197     -4.491729     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00003970831333
                2s
                   +0 :              -0.00049721232377
                3s
                   +0 :               0.00004418647880
                2p
                   -1 :               0.00030546436597
                   +0 :               0.00009752652837
                   +1 :              -0.00003933153148
                3p
                   -1 :              -0.00012381341879
                   +0 :              -0.00002850830864
                   +1 :               0.00012341659318
                3d
                   -2 :               0.00000660555977
                   -1 :              -0.00000065072923
                   +0 :               0.00000077099165
                   +1 :              -0.00000335989449
                   +2 :               0.00000185209911
             12 vec=   -12.967197      4.492029     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00003936108182
                2s
                   +0 :              -0.00058815363965
                3s
                   +0 :               0.00000934947874
                2p
                   -1 :              -0.00014255243727
                   +0 :               0.00016172828023
                   +1 :               0.00024681826644
                3p
                   -1 :               0.00004492625054
                   +0 :               0.00002646184998
                   +1 :              -0.00004348753869
                3d
                   -2 :              -0.00001277518373
                   -1 :              -0.00000932456258
                   +0 :              -0.00000235972996
                   +1 :              -0.00002090350374
                   +2 :              -0.00000301555151
             13 vec=     2.593128     -4.491729     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001934568918
                2s
                   +0 :              -0.00017697500599
                3s
                   +0 :               0.00001780694876
                2p
                   -1 :               0.00004337962224
                   +0 :              -0.00006136463778
                   +1 :              -0.00005390847574
                3p
                   -1 :              -0.00011312484457
                   +0 :               0.00002142589975
                   +1 :               0.00002138199888
                3d
                   -2 :               0.00000084194913
                   -1 :              -0.00001919750351
                   +0 :               0.00001014801978
                   +1 :              -0.00000309337845
                   +2 :               0.00000374751310
             14 vec=     2.593128      4.492029     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00004521072997
                2s
                   +0 :              -0.00041082004406
                3s
                   +0 :               0.00009315313826
                2p
                   -1 :               0.00004308771465
                   +0 :              -0.00017231893069
                   +1 :               0.00010443734576
                3p
                   -1 :              -0.00005719922457
                   +0 :               0.00006343172004
                   +1 :              -0.00009045954246
                3d
                   -2 :               0.00000009254620
                   -1 :              -0.00000201383081
                   +0 :              -0.00000023316946
                   +1 :              -0.00000408676697
                   +2 :               0.00000418554161
             15 vec=    -5.187034      0.000150     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000670671619
                2s
                   +0 :               0.00003572016472
                3s
                   +0 :              -0.00002635206066
                2p
                   -1 :              -0.00006511758225
                   +0 :               0.00004634411505
                   +1 :               0.00012714275355
                3p
                   -1 :               0.00005020311667
                   +0 :              -0.00010711552265
                   +1 :              -0.00007223954874
                3d
                   -2 :              -0.00000433117178
                   -1 :               0.00000451918974
                   +0 :              -0.00001455210002
                   +1 :               0.00000339978217
                   +2 :               0.00000478321450
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 17)  npairs=  14
              1 vec=    -0.419351      0.000150     -8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00027182683360
                2s
                   +0 :               0.00237764609755
                3s
                   +0 :              -0.00087131619208
                2p
                   -1 :               0.00081886851547
                   +0 :               0.00041552564885
                   +1 :              -0.00207008294303
                3p
                   -1 :              -0.00124796328585
                   +0 :              -0.00047489095079
                   +1 :              -0.00019846207116
                3d
                   -2 :               0.00005110015233
                   -1 :               0.00011183074339
                   +0 :               0.00012115052155
                   +1 :               0.00005994101181
                   +2 :              -0.00004713934188
              2 vec=     7.360812     -4.491729     -8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00004648411473
                2s
                   +0 :               0.00000456720029
                3s
                   +0 :               0.00024262824400
                2p
                   -1 :              -0.00104934783497
                   +0 :               0.00040367111721
                   +1 :               0.00096567009204
                3p
                   -1 :               0.00065721005321
                   +0 :              -0.00035004211366
                   +1 :              -0.00096197664457
                3d
                   -2 :               0.00004832318378
                   -1 :              -0.00008059231095
                   +0 :               0.00003701304056
                   +1 :               0.00003302893898
                   +2 :              -0.00005990178548
              3 vec=     7.360812      4.492029     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00000034244103
                2s
                   +0 :               0.00092845327750
                3s
                   +0 :               0.00032793027994
                2p
                   -1 :               0.00054123063219
                   +0 :              -0.00066005564550
                   +1 :              -0.00024550437824
                3p
                   -1 :               0.00004991792911
                   +0 :              -0.00023641651123
                   +1 :               0.00039033933559
                3d
                   -2 :              -0.00000790720860
                   -1 :              -0.00008227091082
                   +0 :              -0.00000152803141
                   +1 :               0.00001096495666
                   +2 :              -0.00004171183843
              4 vec=    -0.419351     -8.983608     -8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00011678081777
                2s
                   +0 :              -0.00125602482572
                3s
                   +0 :               0.00027054713841
                2p
                   -1 :               0.00007932585440
                   +0 :               0.00049893118983
                   +1 :               0.00001151835048
                3p
                   -1 :               0.00008924733331
                   +0 :              -0.00010292430372
                   +1 :              -0.00054048853684
                3d
                   -2 :               0.00010123922158
                   -1 :              -0.00000511069006
                   +0 :              -0.00002437044046
                   +1 :               0.00005706629692
                   +2 :              -0.00005334030216
              5 vec=    -0.419351      8.983908     -8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00009072861982
                2s
                   +0 :               0.00069266214427
                3s
                   +0 :              -0.00034649968809
                2p
                   -1 :               0.00048014062206
                   +0 :              -0.00033225947277
                   +1 :              -0.00089648619418
                3p
                   -1 :              -0.00039977223300
                   +0 :               0.00031542638385
                   +1 :               0.00026507621973
                3d
                   -2 :              -0.00005033197731
                   -1 :               0.00008218115115
                   +0 :              -0.00001502591984
                   +1 :              -0.00001157133574
                   +2 :               0.00006291523195
              6 vec=    -8.199513     -4.491729     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00002811436446
                2s
                   +0 :              -0.00056685619376
                3s
                   +0 :               0.00003533329701
                2p
                   -1 :               0.00073564381723
                   +0 :               0.00074273527181
                   +1 :               0.00054833778304
                3p
                   -1 :              -0.00042220072310
                   +0 :              -0.00049023542730
                   +1 :              -0.00038660413581
                3d
                   -2 :               0.00002721096225
                   -1 :               0.00004754554188
                   +0 :               0.00000987965695
                   +1 :               0.00002185708081
                   +2 :              -0.00000766073484
              7 vec=    -8.199513      4.492029     -8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00017363428392
                2s
                   +0 :              -0.00199500528388
                3s
                   +0 :               0.00019837661622
                2p
                   -1 :              -0.00088571598006
                   +0 :               0.00069146670305
                   +1 :               0.00039390026198
                3p
                   -1 :               0.00021796502078
                   +0 :               0.00020464707230
                   +1 :              -0.00020693743019
                3d
                   -2 :              -0.00002381919813
                   -1 :               0.00010941854238
                   +0 :              -0.00004487866278
                   +1 :               0.00000002669394
                   +2 :               0.00004473964593
              8 vec=    -0.419351      0.000150     16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00001267432483
                2s
                   +0 :               0.00010462824509
                3s
                   +0 :              -0.00002468894374
                2p
                   -1 :              -0.00007721194448
                   +0 :               0.00008567022283
                   +1 :               0.00007910961551
                3p
                   -1 :               0.00002389922991
                   +0 :              -0.00003047803277
                   +1 :              -0.00002358117453
                3d
                   -2 :              -0.00000580969429
                   -1 :              -0.00000629002570
                   +0 :               0.00000237478449
                   +1 :              -0.00000423400976
                   +2 :              -0.00000137688269
              9 vec=    15.140975      0.000150     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00003581867177
                2s
                   +0 :               0.00046365563150
                3s
                   +0 :              -0.00000861659407
                2p
                   -1 :              -0.00010904352601
                   +0 :              -0.00015434985769
                   +1 :               0.00020510619620
                3p
                   -1 :               0.00003332308485
                   +0 :               0.00004816056729
                   +1 :              -0.00000071732920
                3d
                   -2 :              -0.00000212756272
                   -1 :               0.00000019005851
                   +0 :              -0.00000541187102
                   +1 :               0.00000116503458
                   +2 :               0.00001272880507
             10 vec=     7.360812    -13.475487     -8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00001827033036
                2s
                   +0 :               0.00019496591329
                3s
                   +0 :              -0.00003238982725
                2p
                   -1 :               0.00002065526652
                   +0 :              -0.00008263311252
                   +1 :               0.00004241877699
                3p
                   -1 :              -0.00008878717660
                   +0 :               0.00001543489638
                   +1 :              -0.00003661913119
                3d
                   -2 :              -0.00000468943476
                   -1 :               0.00000083099531
                   +0 :              -0.00000178941896
                   +1 :              -0.00000399246470
                   +2 :              -0.00000215092289
             11 vec=     7.360812     13.475787     -8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00005662475944
                2s
                   +0 :               0.00052143608872
                3s
                   +0 :              -0.00011942958731
                2p
                   -1 :               0.00029747753272
                   +0 :              -0.00011982615319
                   +1 :               0.00011083893824
                3p
                   -1 :              -0.00010604085801
                   +0 :               0.00003482225723
                   +1 :              -0.00008365439358
                3d
                   -2 :              -0.00000185371747
                   -1 :              -0.00000226117041
                   +0 :              -0.00000113268154
                   +1 :               0.00000867023061
                   +2 :              -0.00000398929844
             12 vec=    -8.199513    -13.475487     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00001975734692
                2s
                   +0 :              -0.00024803636219
                3s
                   +0 :              -0.00000127253727
                2p
                   -1 :               0.00008637381997
                   +0 :               0.00005897781654
                   +1 :               0.00006574345952
                3p
                   -1 :              -0.00001771965145
                   +0 :              -0.00002027204205
                   +1 :              -0.00000101229456
                3d
                   -2 :              -0.00000643499421
                   -1 :               0.00000232243713
                   +0 :               0.00000314164888
                   +1 :              -0.00000891662575
                   +2 :               0.00000108521668
             13 vec=    -8.199513     13.475787     -8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00002002261245
                2s
                   +0 :              -0.00024702249576
                3s
                   +0 :               0.00000309940014
                2p
                   -1 :              -0.00002540666011
                   +0 :               0.00011194322691
                   +1 :              -0.00003597867130
                3p
                   -1 :              -0.00008853349321
                   +0 :              -0.00001183516909
                   +1 :               0.00001167016264
                3d
                   -2 :               0.00000351017310
                   -1 :               0.00001250706882
                   +0 :              -0.00000604999065
                   +1 :               0.00000125320186
                   +2 :               0.00000744866026
             14 vec=   -15.979676      0.000150     -8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00005989468361
                2s
                   +0 :              -0.00061221430168
                3s
                   +0 :               0.00010985999659
                2p
                   -1 :               0.00007091224162
                   +0 :               0.00003462280634
                   +1 :               0.00024632713667
                3p
                   -1 :              -0.00002038372607
                   +0 :              -0.00002797622761
                   +1 :              -0.00002755678710
                3d
                   -2 :              -0.00000057732710
                   -1 :               0.00000275792532
                   +0 :               0.00000187434246
                   +1 :               0.00000684667949
                   +2 :              -0.00000589560603
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 18)  npairs=  15
              1 vec=     4.976970      0.363094     -8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00037513940389
                2s
                   +0 :               0.00377106211093
                3s
                   +0 :              -0.00027407638838
                2p
                   -1 :               0.00007781781927
                   +0 :              -0.00284775824606
                   +1 :               0.00027033770787
                3p
                   -1 :              -0.00142957040929
                   +0 :               0.00036726030552
                   +1 :               0.00100486326673
                3d
                   -2 :              -0.00011671065566
                   -1 :               0.00024924791064
                   +0 :               0.00003422723265
                   +1 :              -0.00022847063331
                   +2 :               0.00011409442994
              2 vec=    -2.803193     -4.128785     -8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00027436249680
                2s
                   +0 :               0.00161992172237
                3s
                   +0 :              -0.00086847962213
                2p
                   -1 :              -0.00152369733328
                   +0 :              -0.00130451860320
                   +1 :               0.00025730974999
                3p
                   -1 :               0.00057527882894
                   +0 :               0.00081919213247
                   +1 :              -0.00043438389940
                3d
                   -2 :               0.00010966251949
                   -1 :               0.00002847465982
                   +0 :               0.00006918214867
                   +1 :              -0.00000619698291
                   +2 :               0.00016983037482
              3 vec=    -2.803193      4.854973     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00038788354503
                2s
                   +0 :              -0.00344551879602
                3s
                   +0 :               0.00062551173941
                2p
                   -1 :              -0.00254958703140
                   +0 :               0.00169734703276
                   +1 :               0.00036621308535
                3p
                   -1 :               0.00080780704572
                   +0 :               0.00028323527925
                   +1 :              -0.00076331397785
                3d
                   -2 :              -0.00004866259230
                   -1 :               0.00004683704075
                   +0 :              -0.00015439802747
                   +1 :               0.00008470115906
                   +2 :               0.00007562575431
              4 vec=     4.976970     -8.620664     -8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00008152526202
                2s
                   +0 :               0.00075643451837
                3s
                   +0 :              -0.00027100000308
                2p
                   -1 :               0.00022839378383
                   +0 :              -0.00032758372655
                   +1 :               0.00044383300727
                3p
                   -1 :              -0.00021780614929
                   +0 :               0.00002491498799
                   +1 :              -0.00039150563394
                3d
                   -2 :               0.00004918022995
                   -1 :               0.00000114729166
                   +0 :               0.00004187974103
                   +1 :               0.00002925782849
                   +2 :               0.00000527702889
              5 vec=     4.976970      9.346852     -8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00004033643352
                2s
                   +0 :               0.00081279207334
                3s
                   +0 :              -0.00003744187624
                2p
                   -1 :               0.00012020318022
                   +0 :               0.00025266878437
                   +1 :               0.00027118839266
                3p
                   -1 :               0.00033058148112
                   +0 :              -0.00011721588590
                   +1 :              -0.00016190366252
                3d
                   -2 :               0.00000567600919
                   -1 :               0.00000138052493
                   +0 :               0.00001331218464
                   +1 :               0.00004344208525
                   +2 :              -0.00003656974022
              6 vec=   -10.583355      0.363094     -8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00025257578035
                2s
                   +0 :              -0.00281232211246
                3s
                   +0 :               0.00048561440110
                2p
                   -1 :               0.00029603999124
                   +0 :               0.00118080429585
                   +1 :               0.00071322728152
                3p
                   -1 :              -0.00001535428437
                   +0 :              -0.00032658907697
                   +1 :              -0.00011701526767
                3d
                   -2 :              -0.00006692733435
                   -1 :              -0.00003228353842
                   +0 :              -0.00001717665188
                   +1 :              -0.00001338737365
                   +2 :              -0.00001553423454
              7 vec=    12.757133     -4.128785     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00004282015452
                2s
                   +0 :               0.00046358391035
                3s
                   +0 :              -0.00004315589449
                2p
                   -1 :              -0.00021021264393
                   +0 :              -0.00014253202382
                   +1 :              -0.00002033561471
                3p
                   -1 :               0.00005125766187
                   +0 :              -0.00005075506074
                   +1 :               0.00013563019338
                3d
                   -2 :               0.00001232719400
                   -1 :              -0.00001935867667
                   +0 :              -0.00000361987028
                   +1 :              -0.00002268323025
                   +2 :               0.00000955082691
              8 vec=    -2.803193    -13.112543     -8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00000503986107
                2s
                   +0 :              -0.00012929623005
                3s
                   +0 :              -0.00009443245208
                2p
                   -1 :              -0.00002717762268
                   +0 :               0.00013116009351
                   +1 :               0.00005548388837
                3p
                   -1 :               0.00007673252174
                   +0 :               0.00000652107823
                   +1 :              -0.00013979622721
                3d
                   -2 :               0.00001351286736
                   -1 :              -0.00001153201534
                   +0 :              -0.00000081824963
                   +1 :               0.00002876598028
                   +2 :               0.00000037553439
              9 vec=    12.757133      4.854973     -8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00005435264381
                2s
                   +0 :               0.00053726657753
                3s
                   +0 :              -0.00008408765790
                2p
                   -1 :               0.00026239328807
                   +0 :              -0.00005631905254
                   +1 :               0.00008831712568
                3p
                   -1 :              -0.00012605824179
                   +0 :              -0.00003700159206
                   +1 :              -0.00002426644613
                3d
                   -2 :              -0.00001215622810
                   -1 :              -0.00000339095123
                   +0 :               0.00000652545510
                   +1 :              -0.00001100148675
                   +2 :              -0.00000222082630
             10 vec=   -10.583355     -8.620664     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00001694233289
                2s
                   +0 :              -0.00007768672987
                3s
                   +0 :              -0.00014365289628
                2p
                   -1 :              -0.00007512981639
                   +0 :               0.00003306229652
                   +1 :              -0.00003332629490
                3p
                   -1 :               0.00012990596696
                   +0 :               0.00002380982804
                   +1 :               0.00010228001712
                3d
                   -2 :              -0.00000608340341
                   -1 :              -0.00000149207051
                   +0 :              -0.00000603690597
                   +1 :               0.00000266190284
                   +2 :               0.00000223876325
             11 vec=    -2.803193     13.838731     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00002611047190
                2s
                   +0 :              -0.00014254009881
                3s
                   +0 :               0.00006928331510
                2p
                   -1 :              -0.00004365202231
                   +0 :               0.00001324279723
                   +1 :              -0.00001279455170
                3p
                   -1 :               0.00003382166109
                   +0 :               0.00000491594507
                   +1 :              -0.00005745709160
                3d
                   -2 :              -0.00000422480755
                   -1 :              -0.00000462434289
                   +0 :              -0.00000211084009
                   +1 :              -0.00000090166938
                   +2 :              -0.00000525574273
             12 vec=   -10.583355      9.346852     -8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00005567873039
                2s
                   +0 :              -0.00059753413730
                3s
                   +0 :               0.00006995549337
                2p
                   -1 :              -0.00021104038383
                   +0 :               0.00019484854595
                   +1 :               0.00015163294185
                3p
                   -1 :               0.00005463777127
                   +0 :              -0.00006846097844
                   +1 :              -0.00003572399233
                3d
                   -2 :               0.00000448017468
                   -1 :              -0.00000837539177
                   +0 :               0.00000340048292
                   +1 :               0.00000514006459
                   +2 :              -0.00000053112974
             13 vec=     4.976970      0.363094     16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00006255367486
                2s
                   +0 :              -0.00057676563212
                3s
                   +0 :               0.00012265968660
                2p
                   -1 :               0.00005204993965
                   +0 :              -0.00021407382139
                   +1 :              -0.00009932067512
                3p
                   -1 :              -0.00005561490224
                   +0 :               0.00004417511593
                   +1 :               0.00007082305127
                3d
                   -2 :               0.00000922470185
                   -1 :              -0.00000771873997
                   +0 :              -0.00001558329439
                   +1 :               0.00000318413353
                   +2 :              -0.00000257524534
             14 vec=    -2.803193     -4.128785     16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00003097523170
                2s
                   +0 :              -0.00022808680610
                3s
                   +0 :               0.00008959979284
                2p
                   -1 :               0.00001960335630
                   +0 :              -0.00012395704962
                   +1 :               0.00008960680554
                3p
                   -1 :              -0.00002843564043
                   +0 :               0.00007611715875
                   +1 :              -0.00000781534775
                3d
                   -2 :              -0.00000126496775
                   -1 :              -0.00000305642441
                   +0 :               0.00000433637081
                   +1 :               0.00000973181750
                   +2 :              -0.00000176754861
             15 vec=    -2.803193      4.854973     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00000885871953
                2s
                   +0 :               0.00007026114512
                3s
                   +0 :              -0.00003447609263
                2p
                   -1 :              -0.00001142450924
                   +0 :              -0.00006507051867
                   +1 :              -0.00023994747723
                3p
                   -1 :               0.00003256339304
                   +0 :               0.00009772201022
                   +1 :               0.00013121486362
                3d
                   -2 :              -0.00000349400512
                   -1 :               0.00000236312633
                   +0 :               0.00000567852506
                   +1 :              -0.00000576744544
                   +2 :              -0.00000350988312
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 19)  npairs=  18
              1 vec=    -3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00006448052873
                2s
                   +0 :               0.00037640231839
                3s
                   +0 :              -0.00028112492531
                2p
                   -1 :               0.00014496897062
                   +0 :              -0.00048663422636
                   +1 :              -0.00034279089282
                3p
                   -1 :              -0.00003107884259
                   +0 :               0.00047550898874
                   +1 :               0.00012014277820
                3d
                   -2 :              -0.00000973729745
                   -1 :               0.00000710520056
                   +0 :              -0.00000968247696
                   +1 :               0.00000227344284
                   +2 :               0.00000440544817
              2 vec=    -3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00002193107481
                2s
                   +0 :              -0.00020581121173
                3s
                   +0 :               0.00009941928926
                2p
                   -1 :               0.00077531912251
                   +0 :               0.00004846237806
                   +1 :               0.00074560495943
                3p
                   -1 :              -0.00034713236075
                   +0 :               0.00017139379240
                   +1 :              -0.00016695821143
                3d
                   -2 :               0.00002776423932
                   -1 :               0.00003536363010
                   +0 :               0.00007868199795
                   +1 :               0.00005715958678
                   +2 :               0.00001311618691
              3 vec=     4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00013812080164
                2s
                   +0 :               0.00107693600039
                3s
                   +0 :              -0.00028359985452
                2p
                   -1 :              -0.00014634467910
                   +0 :              -0.00055887228631
                   +1 :              -0.00000472396318
                3p
                   -1 :              -0.00024826839084
                   +0 :               0.00016151862742
                   +1 :              -0.00009678960697
                3d
                   -2 :               0.00002080365489
                   -1 :               0.00007185996010
                   +0 :              -0.00001589502777
                   +1 :               0.00002760356971
                   +2 :              -0.00002177895639
              4 vec=     4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00004564795188
                2s
                   +0 :              -0.00050322489457
                3s
                   +0 :              -0.00003561964426
                2p
                   -1 :              -0.00075549224860
                   +0 :               0.00018957163958
                   +1 :              -0.00061457358064
                3p
                   -1 :               0.00016003800605
                   +0 :              -0.00030612440716
                   +1 :               0.00018598631427
                3d
                   -2 :              -0.00002684356543
                   -1 :              -0.00004188803609
                   +0 :              -0.00001520415066
                   +1 :              -0.00004109417278
                   +2 :              -0.00001179549804
              5 vec=    -3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003590938077
                2s
                   +0 :              -0.00025891676945
                3s
                   +0 :               0.00010078732361
                2p
                   -1 :               0.00006918016131
                   +0 :               0.00001832297450
                   +1 :              -0.00042469175879
                3p
                   -1 :              -0.00008281728402
                   +0 :              -0.00008987744246
                   +1 :               0.00030346271969
                3d
                   -2 :              -0.00000945848768
                   -1 :               0.00000869458341
                   +0 :               0.00002480551853
                   +1 :              -0.00001766885528
                   +2 :               0.00000246186396
              6 vec=    -3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005223546829
                2s
                   +0 :              -0.00037711023834
                3s
                   +0 :               0.00017152654543
                2p
                   -1 :              -0.00010570110095
                   +0 :              -0.00003256743406
                   +1 :              -0.00070059575687
                3p
                   -1 :               0.00016579304278
                   +0 :              -0.00000993030356
                   +1 :               0.00048492331556
                3d
                   -2 :               0.00002871080488
                   -1 :               0.00002473425023
                   +0 :              -0.00004768088698
                   +1 :               0.00000081639793
                   +2 :               0.00005717854138
              7 vec=     4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00015855186168
                2s
                   +0 :               0.00194276138370
                3s
                   +0 :              -0.00023172336490
                2p
                   -1 :               0.00026675548584
                   +0 :              -0.00120087788661
                   +1 :               0.00046735394401
                3p
                   -1 :              -0.00001655876453
                   +0 :               0.00010104885777
                   +1 :              -0.00006077596299
                3d
                   -2 :               0.00003536842794
                   -1 :              -0.00001363328093
                   +0 :               0.00004101215722
                   +1 :              -0.00004011639018
                   +2 :               0.00001652292119
              8 vec=     4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001192612684
                2s
                   +0 :               0.00017495653736
                3s
                   +0 :              -0.00004324365948
                2p
                   -1 :               0.00014364005044
                   +0 :               0.00054652748253
                   +1 :              -0.00014303081906
                3p
                   -1 :              -0.00009753152609
                   +0 :              -0.00019613755340
                   +1 :               0.00014718793020
                3d
                   -2 :               0.00000241703684
                   -1 :              -0.00000776733672
                   +0 :               0.00000445279092
                   +1 :               0.00001647409884
                   +2 :               0.00000969515400
              9 vec=   -10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00004123491922
                2s
                   +0 :              -0.00049953709152
                3s
                   +0 :               0.00003966878696
                2p
                   -1 :               0.00022826023344
                   +0 :               0.00021749491655
                   +1 :              -0.00010232931157
                3p
                   -1 :              -0.00007076563316
                   +0 :               0.00000875508656
                   +1 :               0.00008153581943
                3d
                   -2 :               0.00000433645525
                   -1 :              -0.00001220911732
                   +0 :              -0.00000362289238
                   +1 :              -0.00000174280234
                   +2 :               0.00000148211356
             10 vec=   -10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00027048892386
                2s
                   +0 :               0.00237282883939
                3s
                   +0 :              -0.00046662042492
                2p
                   -1 :               0.00022565782250
                   +0 :               0.00036977299449
                   +1 :              -0.00048945720178
                3p
                   -1 :               0.00025491084867
                   +0 :               0.00007754090384
                   +1 :               0.00015774489875
                3d
                   -2 :              -0.00002885533844
                   -1 :               0.00007224850309
                   +0 :               0.00001975109842
                   +1 :              -0.00001448081112
                   +2 :               0.00000230154788
             11 vec=    -3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000427929378
                2s
                   +0 :              -0.00004433288788
                3s
                   +0 :               0.00002103107790
                2p
                   -1 :               0.00000289438081
                   +0 :              -0.00000913660541
                   +1 :               0.00002449633363
                3p
                   -1 :               0.00000052872196
                   +0 :               0.00008150665450
                   +1 :              -0.00009912209857
                3d
                   -2 :              -0.00001531757644
                   -1 :               0.00000052923499
                   +0 :              -0.00000470651837
                   +1 :               0.00000504289944
                   +2 :              -0.00000982101649
             12 vec=    -3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00004094753299
                2s
                   +0 :              -0.00035840823383
                3s
                   +0 :               0.00006871340032
                2p
                   -1 :              -0.00018699542490
                   +0 :              -0.00010460073080
                   +1 :              -0.00006187401687
                3p
                   -1 :               0.00004971942436
                   +0 :              -0.00002219542922
                   +1 :               0.00002706850118
                3d
                   -2 :               0.00000066519476
                   -1 :              -0.00001736629592
                   +0 :              -0.00000257575278
                   +1 :              -0.00000927438132
                   +2 :               0.00000179982110
             13 vec=   -10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00005930815955
                2s
                   +0 :              -0.00058406599045
                3s
                   +0 :               0.00009906585018
                2p
                   -1 :              -0.00015525001222
                   +0 :               0.00013937846135
                   +1 :               0.00004302014254
                3p
                   -1 :               0.00007000763605
                   +0 :               0.00002971453803
                   +1 :               0.00005475757470
                3d
                   -2 :              -0.00000033432150
                   -1 :              -0.00000538158089
                   +0 :              -0.00000607242718
                   +1 :              -0.00000878872541
                   +2 :              -0.00000871933244
             14 vec=   -10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00003631185308
                2s
                   +0 :              -0.00034164637889
                3s
                   +0 :               0.00006504234741
                2p
                   -1 :               0.00014222618008
                   +0 :              -0.00018121163354
                   +1 :               0.00022738834533
                3p
                   -1 :              -0.00007932514617
                   +0 :               0.00005309724194
                   +1 :              -0.00006778812401
                3d
                   -2 :               0.00000825977680
                   -1 :              -0.00000252191705
                   +0 :              -0.00000725632749
                   +1 :              -0.00000139522497
                   +2 :              -0.00000471391676
             15 vec=     4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001932414076
                2s
                   +0 :               0.00013438935813
                3s
                   +0 :              -0.00007163006117
                2p
                   -1 :              -0.00010568164162
                   +0 :              -0.00006385063977
                   +1 :              -0.00007016568337
                3p
                   -1 :               0.00007332465199
                   +0 :               0.00004369889223
                   +1 :               0.00000959966515
                3d
                   -2 :               0.00000345204946
                   -1 :              -0.00001174005297
                   +0 :              -0.00000384620863
                   +1 :               0.00000361454429
                   +2 :               0.00001275478020
             16 vec=     4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000321472917
                2s
                   +0 :              -0.00014552708543
                3s
                   +0 :              -0.00005352145668
                2p
                   -1 :               0.00018537037075
                   +0 :               0.00006064525520
                   +1 :              -0.00005391104663
                3p
                   -1 :              -0.00009797988586
                   +0 :              -0.00003212139719
                   +1 :              -0.00000256150833
                3d
                   -2 :              -0.00000229658790
                   -1 :              -0.00000429343871
                   +0 :              -0.00000716971507
                   +1 :              -0.00000986654238
                   +2 :              -0.00001029502102
             17 vec=    12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00003533171916
                2s
                   +0 :               0.00038839614760
                3s
                   +0 :              -0.00005796448966
                2p
                   -1 :               0.00005608472448
                   +0 :              -0.00007069937243
                   +1 :               0.00015815155426
                3p
                   -1 :              -0.00002204383775
                   +0 :              -0.00000209075926
                   +1 :              -0.00006499141592
                3d
                   -2 :               0.00000443914544
                   -1 :              -0.00000156463722
                   +0 :               0.00000100174979
                   +1 :               0.00000448565353
                   +2 :              -0.00000087590467
             18 vec=    12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000304178435
                2s
                   +0 :              -0.00001561491849
                3s
                   +0 :              -0.00000297420707
                2p
                   -1 :               0.00002281940218
                   +0 :              -0.00003052877058
                   +1 :               0.00005349289730
                3p
                   -1 :              -0.00004704899009
                   +0 :               0.00004556413754
                   +1 :              -0.00005322684423
                3d
                   -2 :              -0.00000544299509
                   -1 :              -0.00000492951163
                   +0 :              -0.00000141020438
                   +1 :              -0.00000600526156
                   +2 :              -0.00000584587560
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 20)  npairs=  14
              1 vec=    -0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004920527669
                2s
                   +0 :               0.00046047641154
                3s
                   +0 :              -0.00020738812954
                2p
                   -1 :              -0.00020664939885
                   +0 :              -0.00031772249336
                   +1 :              -0.00002769674984
                3p
                   -1 :               0.00007035686228
                   +0 :               0.00030298660873
                   +1 :               0.00004280575639
                3d
                   -2 :               0.00000535358207
                   -1 :              -0.00000490289289
                   +0 :              -0.00004310469018
                   +1 :               0.00001003597086
                   +2 :               0.00001130463974
              2 vec=    -0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00012399027489
                2s
                   +0 :              -0.00097634270042
                3s
                   +0 :               0.00032493002131
                2p
                   -1 :              -0.00005548051233
                   +0 :              -0.00071147024730
                   +1 :               0.00091917408041
                3p
                   -1 :               0.00022239366232
                   +0 :               0.00033457904601
                   +1 :              -0.00036085582425
                3d
                   -2 :               0.00000017292253
                   -1 :               0.00004549191485
                   +0 :               0.00004055348030
                   +1 :               0.00000539675898
                   +2 :              -0.00002543298351
              3 vec=    -0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00003124996899
                2s
                   +0 :               0.00053085752606
                3s
                   +0 :              -0.00002053174787
                2p
                   -1 :               0.00034802247868
                   +0 :              -0.00046870008560
                   +1 :              -0.00126911644774
                3p
                   -1 :              -0.00016704995108
                   +0 :               0.00000327382149
                   +1 :               0.00032669328071
                3d
                   -2 :              -0.00002352298998
                   -1 :              -0.00001782183764
                   +0 :              -0.00000443964662
                   +1 :               0.00005386810614
                   +2 :               0.00000991348970
              4 vec=    -0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00015061873839
                2s
                   +0 :              -0.00095771251508
                3s
                   +0 :               0.00035792531862
                2p
                   -1 :              -0.00054320771170
                   +0 :               0.00015957585344
                   +1 :              -0.00078920185363
                3p
                   -1 :               0.00045403659952
                   +0 :               0.00001793917297
                   +1 :               0.00003543152657
                3d
                   -2 :              -0.00002056104516
                   -1 :               0.00003338876934
                   +0 :               0.00001034509611
                   +1 :              -0.00006520591989
                   +2 :              -0.00000973665867
              5 vec=     7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00011528981005
                2s
                   +0 :               0.00106882250257
                3s
                   +0 :              -0.00017700454017
                2p
                   -1 :               0.00000115902178
                   +0 :              -0.00029175044577
                   +1 :               0.00019671854208
                3p
                   -1 :               0.00010030251061
                   +0 :              -0.00006025459847
                   +1 :              -0.00001580525351
                3d
                   -2 :               0.00001016253827
                   -1 :              -0.00002593419336
                   +0 :               0.00001738863671
                   +1 :              -0.00001740192864
                   +2 :              -0.00001334893988
              6 vec=     7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000764033785
                2s
                   +0 :              -0.00002728161176
                3s
                   +0 :              -0.00001917710851
                2p
                   -1 :              -0.00005817303530
                   +0 :               0.00008561606084
                   +1 :              -0.00005007159584
                3p
                   -1 :               0.00008468452820
                   +0 :               0.00002579727571
                   +1 :              -0.00001728405140
                3d
                   -2 :               0.00000878170809
                   -1 :               0.00000682375878
                   +0 :              -0.00001142909739
                   +1 :              -0.00000374318127
                   +2 :              -0.00000541848524
              7 vec=    -7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006950246627
                2s
                   +0 :              -0.00066321134808
                3s
                   +0 :               0.00011123303824
                2p
                   -1 :               0.00011272195142
                   +0 :               0.00028625390840
                   +1 :              -0.00012642129743
                3p
                   -1 :              -0.00017689298466
                   +0 :              -0.00005144970512
                   +1 :               0.00006008797156
                3d
                   -2 :               0.00000898444605
                   -1 :               0.00002390815387
                   +0 :               0.00002367462280
                   +1 :              -0.00000402581361
                   +2 :               0.00000729196223
              8 vec=    -7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00004630686414
                2s
                   +0 :               0.00037059089494
                3s
                   +0 :              -0.00010447187923
                2p
                   -1 :              -0.00049577548858
                   +0 :               0.00019964633188
                   +1 :              -0.00004579211915
                3p
                   -1 :               0.00026053797855
                   +0 :               0.00006384928211
                   +1 :              -0.00005936115160
                3d
                   -2 :              -0.00002004262001
                   -1 :              -0.00001138899880
                   +0 :               0.00004137170610
                   +1 :              -0.00004411019103
                   +2 :               0.00005250651359
              9 vec=     7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000329153364
                2s
                   +0 :               0.00006647541558
                3s
                   +0 :               0.00006830034281
                2p
                   -1 :              -0.00010255657458
                   +0 :               0.00007666549926
                   +1 :              -0.00003401812462
                3p
                   -1 :               0.00005230946991
                   +0 :              -0.00014696994536
                   +1 :               0.00005019692603
                3d
                   -2 :               0.00000261739614
                   -1 :               0.00000270952274
                   +0 :               0.00002117060881
                   +1 :              -0.00000115871272
                   +2 :               0.00000931980405
             10 vec=     7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00007018779263
                2s
                   +0 :              -0.00059715399732
                3s
                   +0 :               0.00015235820660
                2p
                   -1 :               0.00010511113897
                   +0 :              -0.00012329581464
                   +1 :              -0.00034889404235
                3p
                   -1 :              -0.00008107295364
                   +0 :               0.00005899000747
                   +1 :               0.00018826438169
                3d
                   -2 :               0.00000956930704
                   -1 :               0.00000056534756
                   +0 :               0.00000223572004
                   +1 :              -0.00000469247599
                   +2 :              -0.00001914451631
             11 vec=    -7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00003116014150
                2s
                   +0 :              -0.00034043081440
                3s
                   +0 :               0.00004197214083
                2p
                   -1 :              -0.00005109806031
                   +0 :              -0.00007905856886
                   +1 :               0.00018065098215
                3p
                   -1 :               0.00008501874819
                   +0 :               0.00012648783577
                   +1 :              -0.00015824561173
                3d
                   -2 :              -0.00000315623996
                   -1 :              -0.00000923521889
                   +0 :              -0.00001228152584
                   +1 :               0.00001173613686
                   +2 :               0.00001653052421
             12 vec=    -7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00016312956486
                2s
                   +0 :               0.00165434989038
                3s
                   +0 :              -0.00011475375083
                2p
                   -1 :              -0.00029646209170
                   +0 :               0.00031462548410
                   +1 :               0.00062534832912
                3p
                   -1 :              -0.00025625400512
                   +0 :               0.00031646727558
                   +1 :              -0.00018935899416
                3d
                   -2 :              -0.00002340563528
                   -1 :              -0.00010218526283
                   +0 :               0.00002198765220
                   +1 :               0.00003356650899
                   +2 :              -0.00004336162458
             13 vec=    -0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00005679229791
                2s
                   +0 :              -0.00053455130060
                3s
                   +0 :               0.00012404531220
                2p
                   -1 :               0.00014905714406
                   +0 :               0.00030558304338
                   +1 :               0.00000241978597
                3p
                   -1 :              -0.00007252188222
                   +0 :              -0.00011615604634
                   +1 :              -0.00000348414015
                3d
                   -2 :              -0.00000311314606
                   -1 :              -0.00000857299688
                   +0 :              -0.00000131257306
                   +1 :               0.00000352569483
                   +2 :               0.00001091391099
             14 vec=    -0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002874163313
                2s
                   +0 :              -0.00040851326926
                3s
                   +0 :               0.00004177385586
                2p
                   -1 :               0.00025949834582
                   +0 :               0.00002092314165
                   +1 :               0.00012925088146
                3p
                   -1 :              -0.00007692239038
                   +0 :              -0.00002451594745
                   +1 :              -0.00002479152436
                3d
                   -2 :               0.00000071298420
                   -1 :              -0.00000130764629
                   +0 :               0.00000436500558
                   +1 :               0.00000931102389
                   +2 :               0.00000056331870
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 21)  npairs=  14
              1 vec=     2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003827335421
                2s
                   +0 :               0.00062649046019
                3s
                   +0 :              -0.00001611057652
                2p
                   -1 :              -0.00033827075124
                   +0 :              -0.00002482737032
                   +1 :              -0.00020846274399
                3p
                   -1 :               0.00005334063498
                   +0 :              -0.00011145424475
                   +1 :               0.00000636888708
                3d
                   -2 :               0.00000365561221
                   -1 :               0.00001531862480
                   +0 :               0.00000515106082
                   +1 :               0.00001772634012
                   +2 :              -0.00000710996959
              2 vec=     2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004689120758
                2s
                   +0 :              -0.00002134379272
                3s
                   +0 :              -0.00027257796410
                2p
                   -1 :               0.00005144652108
                   +0 :               0.00015242567665
                   +1 :               0.00009600182062
                3p
                   -1 :              -0.00018556735337
                   +0 :              -0.00054633184623
                   +1 :              -0.00012584813379
                3d
                   -2 :              -0.00001360129234
                   -1 :              -0.00004421738912
                   +0 :              -0.00008541899954
                   +1 :              -0.00001831447089
                   +2 :              -0.00001931364434
              3 vec=    -5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00007758448149
                2s
                   +0 :              -0.00074317248832
                3s
                   +0 :               0.00006894165154
                2p
                   -1 :               0.00008704030415
                   +0 :               0.00001857558282
                   +1 :               0.00015620882557
                3p
                   -1 :               0.00011763049772
                   +0 :               0.00022663413650
                   +1 :              -0.00021336992067
                3d
                   -2 :              -0.00000543217970
                   -1 :              -0.00002119231166
                   +0 :              -0.00004778356778
                   +1 :              -0.00000465067618
                   +2 :               0.00000633195465
              4 vec=    -5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001932783970
                2s
                   +0 :               0.00011435519044
                3s
                   +0 :              -0.00004830689666
                2p
                   -1 :               0.00020326846820
                   +0 :               0.00019713194129
                   +1 :               0.00066936246189
                3p
                   -1 :               0.00006396041217
                   +0 :              -0.00021289271462
                   +1 :              -0.00013452575663
                3d
                   -2 :               0.00004918411314
                   -1 :              -0.00000112297044
                   +0 :              -0.00007505240867
                   +1 :               0.00002853101476
                   +2 :              -0.00000276487246
              5 vec=     2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001307685552
                2s
                   +0 :              -0.00012826026222
                3s
                   +0 :              -0.00002540732020
                2p
                   -1 :              -0.00002690304800
                   +0 :               0.00007101127860
                   +1 :               0.00005441477461
                3p
                   -1 :              -0.00007052859731
                   +0 :               0.00005776964750
                   +1 :              -0.00014007692307
                3d
                   -2 :              -0.00000257182534
                   -1 :               0.00000796174715
                   +0 :              -0.00001439046514
                   +1 :               0.00000162242000
                   +2 :               0.00000071597047
              6 vec=     2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00024206289236
                2s
                   +0 :              -0.00199215952173
                3s
                   +0 :               0.00052470586467
                2p
                   -1 :               0.00032077191921
                   +0 :              -0.00060861660629
                   +1 :              -0.00010839655378
                3p
                   -1 :              -0.00006113141196
                   +0 :               0.00013693281496
                   +1 :               0.00026005815680
                3d
                   -2 :              -0.00001353773124
                   -1 :               0.00001399340755
                   +0 :              -0.00000446206723
                   +1 :               0.00005664420285
                   +2 :              -0.00000299505044
              7 vec=    -5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002983077557
                2s
                   +0 :              -0.00052033403536
                3s
                   +0 :               0.00001515324497
                2p
                   -1 :              -0.00005056163596
                   +0 :               0.00021429578268
                   +1 :               0.00006023637810
                3p
                   -1 :               0.00004819216832
                   +0 :               0.00013948390011
                   +1 :              -0.00007290314743
                3d
                   -2 :              -0.00000239469613
                   -1 :               0.00000333759122
                   +0 :              -0.00001226964391
                   +1 :              -0.00001550445961
                   +2 :               0.00000315205734
              8 vec=    -5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00007861168091
                2s
                   +0 :              -0.00079508983455
                3s
                   +0 :               0.00000624337880
                2p
                   -1 :               0.00025316202590
                   +0 :              -0.00004110187583
                   +1 :               0.00014509103657
                3p
                   -1 :              -0.00016124493210
                   +0 :              -0.00032305571929
                   +1 :               0.00016355696718
                3d
                   -2 :               0.00002619165353
                   -1 :              -0.00001120489625
                   +0 :              -0.00002346702771
                   +1 :               0.00006872768747
                   +2 :              -0.00002804421345
              9 vec=    10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00003860264373
                2s
                   +0 :               0.00037609758274
                3s
                   +0 :              -0.00003780235410
                2p
                   -1 :              -0.00001889570413
                   +0 :              -0.00004199314291
                   +1 :               0.00001055694499
                3p
                   -1 :              -0.00006917800860
                   +0 :              -0.00008583291629
                   +1 :               0.00004083707558
                3d
                   -2 :               0.00001079588199
                   -1 :               0.00000346282663
                   +0 :               0.00001349925231
                   +1 :              -0.00001266565898
                   +2 :               0.00000754732223
             10 vec=    10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002106316920
                2s
                   +0 :              -0.00017227624885
                3s
                   +0 :               0.00006174590309
                2p
                   -1 :              -0.00015690422845
                   +0 :              -0.00007358840446
                   +1 :               0.00000111971077
                3p
                   -1 :               0.00010771685379
                   +0 :               0.00018052451091
                   +1 :              -0.00001872710867
                3d
                   -2 :              -0.00000114534473
                   -1 :               0.00001844576106
                   +0 :               0.00002357337086
                   +1 :               0.00000810523676
                   +2 :              -0.00001024485296
             11 vec=     2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002504399904
                2s
                   +0 :               0.00029985976156
                3s
                   +0 :              -0.00006128806274
                2p
                   -1 :              -0.00001606435993
                   +0 :              -0.00020014644065
                   +1 :              -0.00003360631386
                3p
                   -1 :               0.00008356744438
                   +0 :               0.00008919852124
                   +1 :              -0.00001467524961
                3d
                   -2 :              -0.00000717936170
                   -1 :              -0.00000800331084
                   +0 :              -0.00000134750730
                   +1 :               0.00000152577566
                   +2 :              -0.00000138750858
             12 vec=     2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000691076226
                2s
                   +0 :              -0.00016098223334
                3s
                   +0 :              -0.00000819894397
                2p
                   -1 :              -0.00013459375159
                   +0 :               0.00007897267702
                   +1 :              -0.00012727722791
                3p
                   -1 :               0.00006606639775
                   +0 :               0.00000564224708
                   +1 :               0.00003943552527
                3d
                   -2 :              -0.00000229439364
                   -1 :               0.00000269845050
                   +0 :              -0.00000081518695
                   +1 :               0.00000204630485
                   +2 :               0.00000412029395
             13 vec=    10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00005116746428
                2s
                   +0 :               0.00055479456702
                3s
                   +0 :              -0.00005571209321
                2p
                   -1 :               0.00008995332929
                   +0 :              -0.00003860084601
                   +1 :               0.00014401251911
                3p
                   -1 :              -0.00003066603461
                   +0 :              -0.00007790637614
                   +1 :               0.00004404864323
                3d
                   -2 :               0.00000349664361
                   -1 :              -0.00000168281437
                   +0 :               0.00000170687189
                   +1 :              -0.00001309147551
                   +2 :               0.00001368439318
             14 vec=    10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001458164674
                2s
                   +0 :              -0.00000175089249
                3s
                   +0 :               0.00007512708016
                2p
                   -1 :               0.00003429203968
                   +0 :               0.00004522446349
                   +1 :               0.00008151424664
                3p
                   -1 :              -0.00002621660973
                   +0 :               0.00010020213833
                   +1 :              -0.00000514860038
                3d
                   -2 :              -0.00000261418142
                   -1 :               0.00000641384660
                   +0 :               0.00000687755731
                   +1 :               0.00000325343860
                   +2 :               0.00000011146538
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 22)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00506269409786
                2s
                   +0 :               0.08832837523436
                3s
                   +0 :              -0.00654074961266
                2p
                   -1 :               0.02644353465120
                   +0 :               0.00036548268019
                   +1 :               0.91753064185644
                3p
                   -1 :              -0.01108726518421
                   +0 :               0.00129640274388
                   +1 :              -0.05225001593714
                3d
                   -2 :              -0.00131173289566
                   -1 :               0.00073354137778
                   +0 :              -0.00031974453422
                   +1 :              -0.00037212935222
                   +2 :               0.00386040056493
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00009369141481
                2s
                   +0 :               0.00026212689312
                3s
                   +0 :              -0.00011704900584
                2p
                   -1 :              -0.00109330388993
                   +0 :              -0.00096069017943
                   +1 :               0.00058446867751
                3p
                   -1 :               0.00045652216246
                   +0 :              -0.00067895450076
                   +1 :               0.00009173531641
                3d
                   -2 :               0.00016120722802
                   -1 :               0.00014533170708
                   +0 :              -0.00014394743056
                   +1 :               0.00011406468963
                   +2 :              -0.00006155638837
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00072280826691
                2s
                   +0 :              -0.00485436569495
                3s
                   +0 :               0.00040549575174
                2p
                   -1 :              -0.00021060950708
                   +0 :              -0.00183366738344
                   +1 :               0.00203471347882
                3p
                   -1 :              -0.00184350761357
                   +0 :               0.00079561290533
                   +1 :              -0.00092016671002
                3d
                   -2 :              -0.00003656459442
                   -1 :              -0.00031967457942
                   +0 :               0.00014050747107
                   +1 :               0.00004797566107
                   +2 :               0.00039243684408
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00061719886770
                2s
                   +0 :              -0.00429003074995
                3s
                   +0 :               0.00188970384859
                2p
                   -1 :               0.00015028837298
                   +0 :              -0.00083742103500
                   +1 :              -0.00407855406263
                3p
                   -1 :              -0.00170145453373
                   +0 :               0.00083098825551
                   +1 :               0.00087335570348
                3d
                   -2 :               0.00020636565689
                   -1 :              -0.00000960132540
                   +0 :              -0.00004405453242
                   +1 :              -0.00001826584019
                   +2 :              -0.00016636888163
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00048964201058
                2s
                   +0 :               0.00388791056803
                3s
                   +0 :              -0.00170456632089
                2p
                   -1 :               0.00358898599528
                   +0 :               0.00021944254707
                   +1 :              -0.00425263094063
                3p
                   -1 :              -0.00212311874819
                   +0 :              -0.00012951992305
                   +1 :               0.00159416584356
                3d
                   -2 :              -0.00002546862270
                   -1 :              -0.00003426505677
                   +0 :               0.00003963314524
                   +1 :               0.00004320939363
                   +2 :              -0.00000352094588
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00040744852720
                2s
                   +0 :               0.00364663296154
                3s
                   +0 :              -0.00062299435060
                2p
                   -1 :              -0.00684929191856
                   +0 :               0.00067284201581
                   +1 :               0.00222679211256
                3p
                   -1 :               0.00181912971523
                   +0 :              -0.00014900344175
                   +1 :              -0.00136086415850
                3d
                   -2 :              -0.00006014768102
                   -1 :               0.00012460483672
                   +0 :              -0.00001298354235
                   +1 :               0.00011022400643
                   +2 :              -0.00016289597443
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00021176715717
                2s
                   +0 :               0.00200258235484
                3s
                   +0 :              -0.00001557407841
                2p
                   -1 :               0.00080209716897
                   +0 :               0.00002823346820
                   +1 :               0.00307161688517
                3p
                   -1 :               0.00116890288003
                   +0 :               0.00065562216441
                   +1 :              -0.00140020063207
                3d
                   -2 :               0.00006158992812
                   -1 :               0.00029664666090
                   +0 :              -0.00042601911354
                   +1 :               0.00033419882391
                   +2 :              -0.00024679517160
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00013353068316
                2s
                   +0 :              -0.00157248794326
                3s
                   +0 :               0.00024250908715
                2p
                   -1 :              -0.00011319437346
                   +0 :              -0.00032627134430
                   +1 :               0.00194751184327
                3p
                   -1 :               0.00020863217477
                   +0 :               0.00017939525054
                   +1 :              -0.00061774527305
                3d
                   -2 :              -0.00003185582308
                   -1 :              -0.00003090143755
                   +0 :               0.00000469691935
                   +1 :              -0.00004851469815
                   +2 :              -0.00001564796876
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00013711233864
                2s
                   +0 :              -0.00151987286120
                3s
                   +0 :               0.00021198610227
                2p
                   -1 :               0.00168230091241
                   +0 :              -0.00005649479819
                   +1 :               0.00043639091470
                3p
                   -1 :              -0.00043646255628
                   +0 :              -0.00001915455616
                   +1 :               0.00003738979222
                3d
                   -2 :              -0.00004871275578
                   -1 :              -0.00000341093601
                   +0 :               0.00001664153087
                   +1 :              -0.00002455887982
                   +2 :               0.00003291038904
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005890508678
                2s
                   +0 :              -0.00075681938010
                3s
                   +0 :               0.00006881444467
                2p
                   -1 :              -0.00047949727621
                   +0 :               0.00000918306163
                   +1 :               0.00026072117555
                3p
                   -1 :               0.00005890375347
                   +0 :              -0.00006312549892
                   +1 :              -0.00012146768037
                3d
                   -2 :              -0.00000077011817
                   -1 :              -0.00002417679857
                   +0 :               0.00001552837852
                   +1 :              -0.00000032987514
                   +2 :               0.00001500404836
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00007180716123
                2s
                   +0 :               0.00063755752088
                3s
                   +0 :              -0.00018910549743
                2p
                   -1 :              -0.00060359427727
                   +0 :               0.00023421965910
                   +1 :               0.00011594908218
                3p
                   -1 :               0.00023519600819
                   +0 :              -0.00014372205680
                   +1 :               0.00001311974305
                3d
                   -2 :              -0.00001899054834
                   -1 :               0.00000209040165
                   +0 :              -0.00001101368678
                   +1 :               0.00001061081993
                   +2 :               0.00000785691514
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00006578796204
                2s
                   +0 :               0.00077869397875
                3s
                   +0 :              -0.00004296689852
                2p
                   -1 :               0.00039224807749
                   +0 :              -0.00003091208928
                   +1 :               0.00011827216359
                3p
                   -1 :               0.00001275291535
                   +0 :               0.00006326791141
                   +1 :               0.00010864732098
                3d
                   -2 :               0.00004768354450
                   -1 :               0.00000391969137
                   +0 :              -0.00002388291411
                   +1 :              -0.00000512920814
                   +2 :              -0.00000128170248
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00019291594865
                2s
                   +0 :               0.00196191681181
                3s
                   +0 :              -0.00031106767644
                2p
                   -1 :              -0.00006893939225
                   +0 :              -0.00023863061929
                   +1 :               0.00104824094258
                3p
                   -1 :               0.00010645826444
                   +0 :               0.00013054986746
                   +1 :               0.00001821241614
                3d
                   -2 :               0.00002216320916
                   -1 :               0.00000532172535
                   +0 :              -0.00001731982346
                   +1 :              -0.00002034459052
                   +2 :               0.00004163014811
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000517349893
                2s
                   +0 :              -0.00008557292288
                3s
                   +0 :              -0.00005413828523
                2p
                   -1 :               0.00021925588408
                   +0 :              -0.00005626382126
                   +1 :               0.00018822539056
                3p
                   -1 :              -0.00007610205400
                   +0 :               0.00000103513892
                   +1 :              -0.00000197748564
                3d
                   -2 :              -0.00000258528277
                   -1 :              -0.00000646873713
                   +0 :               0.00000321447961
                   +1 :              -0.00000204186419
                   +2 :              -0.00000623678823
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00004948420894
                2s
                   +0 :              -0.00051688340380
                3s
                   +0 :               0.00007056340537
                2p
                   -1 :               0.00002601852184
                   +0 :               0.00001346410346
                   +1 :               0.00038459287098
                3p
                   -1 :              -0.00004026999377
                   +0 :              -0.00002892019432
                   +1 :              -0.00009479647860
                3d
                   -2 :              -0.00000370836811
                   -1 :              -0.00000826374447
                   +0 :               0.00000428744205
                   +1 :              -0.00000248115058
                   +2 :               0.00000421554473
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001735261632
                2s
                   +0 :              -0.00017835419650
                3s
                   +0 :               0.00002299374416
                2p
                   -1 :               0.00009620643095
                   +0 :              -0.00005943570367
                   +1 :              -0.00003549891156
                3p
                   -1 :              -0.00004525413078
                   +0 :               0.00004574940656
                   +1 :              -0.00000316028052
                3d
                   -2 :              -0.00000160992717
                   -1 :              -0.00000240099253
                   +0 :               0.00000579874804
                   +1 :               0.00000283336991
                   +2 :               0.00000082343670
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000069811324
                2s
                   +0 :               0.00002009117069
                3s
                   +0 :               0.00001892181870
                2p
                   -1 :              -0.00001701773954
                   +0 :               0.00002250891899
                   +1 :              -0.00006141126468
                3p
                   -1 :               0.00004667813588
                   +0 :              -0.00001212814568
                   +1 :               0.00000646176707
                3d
                   -2 :              -0.00000326159186
                   -1 :              -0.00000241483388
                   +0 :              -0.00000322992218
                   +1 :              -0.00000009861823
                   +2 :              -0.00000360055237
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002846091020
                2s
                   +0 :               0.00030323926402
                3s
                   +0 :              -0.00003156556642
                2p
                   -1 :              -0.00017460231892
                   +0 :               0.00004390979949
                   +1 :               0.00017767980120
                3p
                   -1 :               0.00005978683958
                   +0 :              -0.00000101592860
                   +1 :              -0.00000558251371
                3d
                   -2 :               0.00000813934684
                   -1 :               0.00000082483263
                   +0 :              -0.00000748915488
                   +1 :              -0.00000620616861
                   +2 :               0.00000867598523
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00005225322027
                2s
                   +0 :               0.00053067304095
                3s
                   +0 :              -0.00010120282234
                2p
                   -1 :               0.00012465989275
                   +0 :              -0.00005367150872
                   +1 :               0.00022743381515
                3p
                   -1 :               0.00000656800965
                   +0 :               0.00005156616758
                   +1 :              -0.00006172432132
                3d
                   -2 :              -0.00000071060788
                   -1 :               0.00000911620605
                   +0 :              -0.00000360168860
                   +1 :               0.00000963302985
                   +2 :              -0.00000531847330
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 23)  npairs=  12
              1 vec=     4.767165      0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00598418452959
                2s
                   +0 :               0.12618068289113
                3s
                   +0 :              -0.01226316418743
                2p
                   -1 :               0.01083260517529
                   +0 :               0.00678411896163
                   +1 :               0.07853534727752
                3p
                   -1 :              -0.00703860415661
                   +0 :              -0.00402138744711
                   +1 :              -0.00951332325043
                3d
                   -2 :              -0.00174092876057
                   -1 :              -0.00127070370288
                   +0 :              -0.00270028730492
                   +1 :               0.00025535498163
                   +2 :               0.00408297840270
              2 vec=    -3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00079854070558
                2s
                   +0 :              -0.02371074206816
                3s
                   +0 :              -0.00353690500768
                2p
                   -1 :               0.00812298753599
                   +0 :              -0.00400267577065
                   +1 :               0.00732419923765
                3p
                   -1 :               0.00615976093442
                   +0 :              -0.00042722356346
                   +1 :               0.00090622310351
                3d
                   -2 :              -0.00192283666547
                   -1 :              -0.00046528260397
                   +0 :               0.00158053628333
                   +1 :              -0.00100887100336
                   +2 :               0.00229255157001
              3 vec=    -3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00123919769771
                2s
                   +0 :              -0.02890308071810
                3s
                   +0 :               0.00195145569378
                2p
                   -1 :              -0.02510784837283
                   +0 :               0.00104237571714
                   +1 :               0.00742113726746
                3p
                   -1 :               0.00392950164793
                   +0 :              -0.00096907921230
                   +1 :               0.00081416055283
                3d
                   -2 :               0.00095893642139
                   -1 :               0.00041476493787
                   +0 :               0.00076107457459
                   +1 :              -0.00034078887166
                   +2 :               0.00109936761200
              4 vec=     4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00020720793992
                2s
                   +0 :               0.00197164183592
                3s
                   +0 :              -0.00014933719254
                2p
                   -1 :              -0.00270831920656
                   +0 :              -0.00036625456116
                   +1 :              -0.00001459318613
                3p
                   -1 :              -0.00006772327078
                   +0 :               0.00047071223789
                   +1 :               0.00012040113194
                3d
                   -2 :              -0.00014815444827
                   -1 :              -0.00001706749252
                   +0 :              -0.00011754226393
                   +1 :               0.00010083221036
                   +2 :              -0.00011370988823
              5 vec=     4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00049496817487
                2s
                   +0 :               0.00481269898618
                3s
                   +0 :              -0.00105820942344
                2p
                   -1 :               0.00509732866123
                   +0 :              -0.00040687287315
                   +1 :               0.00301965334884
                3p
                   -1 :              -0.00117087592637
                   +0 :               0.00020048782055
                   +1 :              -0.00116090445322
                3d
                   -2 :               0.00002980355455
                   -1 :              -0.00012172933738
                   +0 :               0.00007414310555
                   +1 :               0.00000424357750
                   +2 :              -0.00010392025169
              6 vec=   -10.793160     -0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00110258922053
                2s
                   +0 :              -0.00972792889235
                3s
                   +0 :               0.00244944776432
                2p
                   -1 :              -0.00024784143716
                   +0 :              -0.00236110126807
                   +1 :               0.00643539670522
                3p
                   -1 :               0.00061448504560
                   +0 :               0.00158854112908
                   +1 :              -0.00155634082782
                3d
                   -2 :              -0.00006876613198
                   -1 :               0.00014405493873
                   +0 :               0.00013506236328
                   +1 :              -0.00004191025556
                   +2 :              -0.00019808479882
              7 vec=    12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00007007390804
                2s
                   +0 :               0.00106042584004
                3s
                   +0 :              -0.00003851484848
                2p
                   -1 :              -0.00019620587821
                   +0 :              -0.00010791070188
                   +1 :               0.00012522061097
                3p
                   -1 :              -0.00002036419870
                   +0 :               0.00023312031318
                   +1 :               0.00022617740457
                3d
                   -2 :               0.00002262365529
                   -1 :              -0.00000444061610
                   +0 :              -0.00005955840150
                   +1 :              -0.00001486652074
                   +2 :               0.00000647187048
              8 vec=    12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00006888867913
                2s
                   +0 :               0.00116684977247
                3s
                   +0 :               0.00003761636003
                2p
                   -1 :               0.00141661558794
                   +0 :              -0.00021721090676
                   +1 :               0.00005874037759
                3p
                   -1 :              -0.00024116137110
                   +0 :               0.00022404819131
                   +1 :               0.00023627947671
                3d
                   -2 :               0.00001075604434
                   -1 :              -0.00001474109837
                   +0 :              -0.00005334293726
                   +1 :               0.00002694849226
                   +2 :              -0.00001043680978
              9 vec=    -3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00003706040462
                2s
                   +0 :               0.00020995979975
                3s
                   +0 :              -0.00016904758256
                2p
                   -1 :               0.00004707670367
                   +0 :              -0.00021563499143
                   +1 :              -0.00043958057102
                3p
                   -1 :               0.00005030924449
                   +0 :              -0.00000268747582
                   +1 :               0.00003291633500
                3d
                   -2 :               0.00004036996738
                   -1 :               0.00004305955467
                   +0 :               0.00006255155835
                   +1 :              -0.00001117894817
                   +2 :              -0.00001117730347
             10 vec=    -3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00002468834782
                2s
                   +0 :              -0.00021104297174
                3s
                   +0 :               0.00011307407438
                2p
                   -1 :              -0.00014249227608
                   +0 :              -0.00012671928336
                   +1 :              -0.00034037472516
                3p
                   -1 :               0.00017070937239
                   +0 :               0.00008232563341
                   +1 :              -0.00015030372664
                3d
                   -2 :              -0.00005246156566
                   -1 :               0.00000002615217
                   +0 :              -0.00002537191943
                   +1 :               0.00001579734657
                   +2 :              -0.00001165968169
             11 vec=   -10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00008989990107
                2s
                   +0 :              -0.00088672145088
                3s
                   +0 :               0.00024298151809
                2p
                   -1 :              -0.00029872721449
                   +0 :              -0.00032456588979
                   +1 :               0.00147620472814
                3p
                   -1 :               0.00014189411178
                   +0 :               0.00000925450565
                   +1 :              -0.00081055554450
                3d
                   -2 :               0.00000787114496
                   -1 :              -0.00001810109066
                   +0 :               0.00001454901201
                   +1 :              -0.00000351424769
                   +2 :               0.00002901292827
             12 vec=   -10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00017516116406
                2s
                   +0 :              -0.00192939202985
                3s
                   +0 :               0.00029001100731
                2p
                   -1 :              -0.00088513298210
                   +0 :              -0.00004085660625
                   +1 :               0.00079432511823
                3p
                   -1 :               0.00007342371420
                   +0 :               0.00000974166199
                   +1 :              -0.00006446880646
                3d
                   -2 :               0.00003719262270
                   -1 :               0.00004143607079
                   +0 :               0.00000409995851
                   +1 :              -0.00000601373388
                   +2 :               0.00000794766152
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 24)  npairs=  12
              1 vec=     2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00144676943370
                2s
                   +0 :               0.05197976293319
                3s
                   +0 :              -0.00371934396141
                2p
                   -1 :              -0.04644808823349
                   +0 :               0.00049856925117
                   +1 :               0.01036224912815
                3p
                   -1 :               0.00850575387244
                   +0 :               0.00037900532780
                   +1 :              -0.00433918224203
                3d
                   -2 :              -0.00078471871185
                   -1 :              -0.00046397294966
                   +0 :              -0.00044941078990
                   +1 :              -0.00023048562507
                   +2 :              -0.00128771094314
              2 vec=    -5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00264465705026
                2s
                   +0 :              -0.04663230231854
                3s
                   +0 :               0.00109404487915
                2p
                   -1 :               0.00079547150907
                   +0 :               0.00249838518481
                   +1 :               0.02340187064165
                3p
                   -1 :              -0.00281015034644
                   +0 :              -0.00498866772126
                   +1 :               0.00245905984061
                3d
                   -2 :               0.00120618681828
                   -1 :               0.00062507896184
                   +0 :               0.00146117810646
                   +1 :              -0.00005889395731
                   +2 :              -0.00262481997374
              3 vec=     2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00269334559030
                2s
                   +0 :               0.03473551951821
                3s
                   +0 :              -0.00619300352401
                2p
                   -1 :               0.02000720151665
                   +0 :               0.00027657017323
                   +1 :               0.00317784409541
                3p
                   -1 :              -0.00109534158401
                   +0 :               0.00044556779244
                   +1 :              -0.00008545122320
                3d
                   -2 :               0.00080038650258
                   -1 :               0.00018392022512
                   +0 :              -0.00064902971029
                   +1 :              -0.00061412959249
                   +2 :              -0.00110310994759
              4 vec=    -5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00122271619968
                2s
                   +0 :              -0.01057045666772
                3s
                   +0 :               0.00219043747745
                2p
                   -1 :               0.00644925807634
                   +0 :              -0.00113972348037
                   +1 :              -0.00055305981072
                3p
                   -1 :              -0.00149089239350
                   +0 :               0.00042159077868
                   +1 :               0.00228293014394
                3d
                   -2 :              -0.00047896291991
                   -1 :               0.00014926592328
                   +0 :               0.00043784625413
                   +1 :               0.00017557128626
                   +2 :               0.00007440785959
              5 vec=    10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00055432014555
                2s
                   +0 :               0.00683826880033
                3s
                   +0 :              -0.00012480542662
                2p
                   -1 :               0.00173303111351
                   +0 :               0.00023990577334
                   +1 :               0.01149806759864
                3p
                   -1 :              -0.00038260672503
                   +0 :              -0.00031130288627
                   +1 :              -0.00084733775958
                3d
                   -2 :               0.00004044592298
                   -1 :               0.00002634782588
                   +0 :              -0.00017384614268
                   +1 :              -0.00019870930709
                   +2 :               0.00043905501754
              6 vec=    -5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00047701344699
                2s
                   +0 :              -0.00448596990570
                3s
                   +0 :               0.00095392543359
                2p
                   -1 :              -0.00277340023480
                   +0 :               0.00014732516982
                   +1 :              -0.00040410415752
                3p
                   -1 :               0.00074045940583
                   +0 :              -0.00005919035975
                   +1 :               0.00033074907671
                3d
                   -2 :               0.00000322685757
                   -1 :               0.00002853429177
                   +0 :              -0.00000397919297
                   +1 :               0.00008317291446
                   +2 :               0.00001181088626
              7 vec=     2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00002735602089
                2s
                   +0 :               0.00005596487064
                3s
                   +0 :              -0.00000695701066
                2p
                   -1 :               0.00046696247421
                   +0 :               0.00004935885094
                   +1 :              -0.00037554015953
                3p
                   -1 :              -0.00032931180263
                   +0 :               0.00014883662191
                   +1 :               0.00011377928855
                3d
                   -2 :               0.00001921100371
                   -1 :              -0.00003740654782
                   +0 :              -0.00001930396043
                   +1 :              -0.00001962302328
                   +2 :               0.00000724132081
              8 vec=    10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00005288835071
                2s
                   +0 :               0.00106921893492
                3s
                   +0 :              -0.00002959895212
                2p
                   -1 :              -0.00080488171375
                   +0 :               0.00025012905961
                   +1 :               0.00062044620486
                3p
                   -1 :              -0.00022913958217
                   +0 :              -0.00014232407941
                   +1 :              -0.00006479744796
                3d
                   -2 :              -0.00004764567857
                   -1 :               0.00001837625774
                   +0 :              -0.00003370378817
                   +1 :              -0.00003077004613
                   +2 :              -0.00004331210860
              9 vec=   -13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00008619680895
                2s
                   +0 :              -0.00079074370351
                3s
                   +0 :               0.00026320794259
                2p
                   -1 :               0.00067199603440
                   +0 :              -0.00051847911643
                   +1 :               0.00011442286332
                3p
                   -1 :              -0.00014315571379
                   +0 :              -0.00007880607258
                   +1 :               0.00008084663848
                3d
                   -2 :              -0.00000767438847
                   -1 :               0.00001867198626
                   +0 :               0.00006398876756
                   +1 :               0.00001251951674
                   +2 :              -0.00000464922735
             10 vec=    10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00006942510493
                2s
                   +0 :               0.00089741268952
                3s
                   +0 :              -0.00010989756392
                2p
                   -1 :               0.00048778090538
                   +0 :              -0.00028767238854
                   +1 :               0.00046074041611
                3p
                   -1 :              -0.00015315007300
                   +0 :               0.00027148817832
                   +1 :              -0.00007123745379
                3d
                   -2 :              -0.00001193577681
                   -1 :              -0.00000320472517
                   +0 :              -0.00000709819460
                   +1 :              -0.00000166396435
                   +2 :               0.00001723279071
             11 vec=   -13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00007957804926
                2s
                   +0 :              -0.00089690613889
                3s
                   +0 :               0.00010527376367
                2p
                   -1 :              -0.00009262536128
                   +0 :              -0.00002605792828
                   +1 :               0.00042113447263
                3p
                   -1 :              -0.00008608294862
                   +0 :              -0.00012192341321
                   +1 :              -0.00010282121241
                3d
                   -2 :              -0.00000250568497
                   -1 :              -0.00000565506538
                   +0 :               0.00006008864519
                   +1 :               0.00004830219413
                   +2 :               0.00001242474144
             12 vec=     2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00000049461226
                2s
                   +0 :               0.00008930738123
                3s
                   +0 :               0.00004329489968
                2p
                   -1 :               0.00015398633988
                   +0 :               0.00020282568806
                   +1 :              -0.00017167604877
                3p
                   -1 :              -0.00004162144741
                   +0 :              -0.00013749828371
                   +1 :               0.00000980603918
                3d
                   -2 :              -0.00001642090457
                   -1 :              -0.00000904877625
                   +0 :              -0.00001742599159
                   +1 :              -0.00002096544372
                   +2 :               0.00001165146025
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 25)  npairs=  14
              1 vec=     2.173777      1.739555     -4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00230597532191
                2s
                   +0 :               0.05115531225421
                3s
                   +0 :              -0.00373018632255
                2p
                   -1 :               0.00976933804391
                   +0 :              -0.03462058944573
                   +1 :               0.00591108926579
                3p
                   -1 :               0.00168119412766
                   +0 :               0.00566457349560
                   +1 :              -0.00075785155111
                3d
                   -2 :               0.00095156209931
                   -1 :              -0.00084383853899
                   +0 :               0.00134780024676
                   +1 :              -0.00010999168250
                   +2 :              -0.00056296154268
              2 vec=    -5.606385     -2.752324     -4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00006448855749
                2s
                   +0 :              -0.00120007151886
                3s
                   +0 :              -0.00045656246335
                2p
                   -1 :               0.00545635930924
                   +0 :              -0.00261880703408
                   +1 :               0.00158525404534
                3p
                   -1 :              -0.00398127645899
                   +0 :               0.00416704112398
                   +1 :              -0.00015625190744
                3d
                   -2 :               0.00019827426794
                   -1 :               0.00002512984149
                   +0 :              -0.00037479082968
                   +1 :               0.00024126569793
                   +2 :               0.00018364139577
              3 vec=     2.173777     -7.244203     -4.091257   |vec|=    8.598963
                1s
                   +0 :              -0.00048056950612
                2s
                   +0 :               0.00294396589581
                3s
                   +0 :              -0.00157433439757
                2p
                   -1 :              -0.00246233026223
                   +0 :              -0.00453056611376
                   +1 :              -0.00095003686755
                3p
                   -1 :               0.00195493197475
                   +0 :               0.00183343949434
                   +1 :               0.00020951352363
                3d
                   -2 :               0.00003237677928
                   -1 :              -0.00027371817238
                   +0 :               0.00022542254277
                   +1 :               0.00014263493872
                   +2 :               0.00021131427571
              4 vec=    -5.606385      6.231434     -4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00034985736956
                2s
                   +0 :              -0.00276278515596
                3s
                   +0 :               0.00052513696112
                2p
                   -1 :              -0.00082139499807
                   +0 :               0.00164115165169
                   +1 :              -0.00081373570454
                3p
                   -1 :              -0.00021870970712
                   +0 :              -0.00092424910444
                   +1 :               0.00109446823464
                3d
                   -2 :               0.00001577390722
                   -1 :              -0.00011831371255
                   +0 :               0.00000988694818
                   +1 :              -0.00002834167621
                   +2 :              -0.00000741384924
              5 vec=     9.953940     -2.752324     -4.091257   |vec|=   11.108312
                1s
                   +0 :               0.00015322058222
                2s
                   +0 :               0.00010057965866
                3s
                   +0 :               0.00057598276926
                2p
                   -1 :               0.00015301189522
                   +0 :              -0.00074799148700
                   +1 :               0.00112332060807
                3p
                   -1 :              -0.00063230364056
                   +0 :               0.00007684887572
                   +1 :              -0.00034311158429
                3d
                   -2 :              -0.00003602590647
                   -1 :               0.00004866773850
                   +0 :               0.00006227839327
                   +1 :              -0.00001192159821
                   +2 :              -0.00006696153512
              6 vec=     2.173777     10.723313     -4.091257   |vec|=   11.681316
                1s
                   +0 :               0.00003151391249
                2s
                   +0 :               0.00006635750919
                3s
                   +0 :               0.00002631725320
                2p
                   -1 :              -0.00022724407599
                   +0 :               0.00020319616363
                   +1 :               0.00014750190062
                3p
                   -1 :               0.00040074879851
                   +0 :              -0.00017856147474
                   +1 :              -0.00035906416124
                3d
                   -2 :              -0.00003400860027
                   -1 :               0.00004601354261
                   +0 :              -0.00004838240716
                   +1 :               0.00003256592882
                   +2 :               0.00001822963551
              7 vec=     9.953940      6.231434     -4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00011625959886
                2s
                   +0 :              -0.00031597920132
                3s
                   +0 :               0.00054697168093
                2p
                   -1 :              -0.00012352161196
                   +0 :               0.00028989449915
                   +1 :              -0.00010095271598
                3p
                   -1 :               0.00020165959460
                   +0 :              -0.00012383823120
                   +1 :               0.00024128363486
                3d
                   -2 :              -0.00000282255386
                   -1 :               0.00003129761820
                   +0 :              -0.00002667071667
                   +1 :               0.00004931570787
                   +2 :               0.00001277984753
              8 vec=    -5.606385    -11.736082     -4.091257   |vec|=   13.634719
                1s
                   +0 :               0.00003945248560
                2s
                   +0 :              -0.00074756135045
                3s
                   +0 :              -0.00003434122060
                2p
                   -1 :               0.00009898408496
                   +0 :               0.00072359015887
                   +1 :              -0.00021480279383
                3p
                   -1 :               0.00012211028675
                   +0 :              -0.00020349152438
                   +1 :               0.00000349992665
                3d
                   -2 :               0.00001362980398
                   -1 :              -0.00003091974090
                   +0 :              -0.00004115396182
                   +1 :               0.00004093374623
                   +2 :               0.00001108161351
              9 vec=   -13.386548      1.739555     -4.091257   |vec|=   14.105463
                1s
                   +0 :               0.00018661316395
                2s
                   +0 :              -0.00177351455734
                3s
                   +0 :               0.00036688381581
                2p
                   -1 :              -0.00022674062713
                   +0 :               0.00005704006020
                   +1 :               0.00068011177509
                3p
                   -1 :               0.00010198959490
                   +0 :               0.00001147000443
                   +1 :              -0.00014845712882
                3d
                   -2 :              -0.00001331787947
                   -1 :              -0.00002679905574
                   +0 :               0.00000804042399
                   +1 :               0.00002081124748
                   +2 :               0.00001247849408
             10 vec=   -13.386548     -7.244203     -4.091257   |vec|=   15.761235
                1s
                   +0 :               0.00001075289719
                2s
                   +0 :              -0.00019788349874
                3s
                   +0 :              -0.00000607418244
                2p
                   -1 :               0.00016736110752
                   +0 :              -0.00005631041265
                   +1 :              -0.00004233482209
                3p
                   -1 :              -0.00011434442164
                   +0 :              -0.00001024194962
                   +1 :               0.00010948529254
                3d
                   -2 :              -0.00000984667199
                   -1 :               0.00001524346293
                   +0 :              -0.00000308803558
                   +1 :               0.00000576442002
                   +2 :              -0.00001308895634
             11 vec=     9.953940    -11.736082     -4.091257   |vec|=   15.923408
                1s
                   +0 :              -0.00007234148463
                2s
                   +0 :               0.00050403690489
                3s
                   +0 :              -0.00017853936444
                2p
                   -1 :              -0.00019659087843
                   +0 :              -0.00015136085940
                   +1 :               0.00015991870785
                3p
                   -1 :               0.00005006586194
                   +0 :               0.00009213567153
                   +1 :              -0.00011258493053
                3d
                   -2 :               0.00000023279258
                   -1 :              -0.00000193416010
                   +0 :              -0.00000821980973
                   +1 :               0.00001674026128
                   +2 :              -0.00000477091308
             12 vec=    -5.606385     15.215192     -4.091257   |vec|=   16.723397
                1s
                   +0 :               0.00002585190223
                2s
                   +0 :              -0.00023943813680
                3s
                   +0 :               0.00006077654765
                2p
                   -1 :              -0.00023449474142
                   +0 :               0.00003363837511
                   +1 :              -0.00005756749421
                3p
                   -1 :               0.00013169724344
                   +0 :              -0.00001709069053
                   +1 :              -0.00002932422405
                3d
                   -2 :              -0.00000892802658
                   -1 :               0.00000050444166
                   +0 :              -0.00000314689860
                   +1 :               0.00000638250922
                   +2 :              -0.00000498627396
             13 vec=     2.173777    -16.227961     -4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00001945322767
                2s
                   +0 :              -0.00022281723543
                3s
                   +0 :               0.00003408857073
                2p
                   -1 :               0.00014160576589
                   +0 :               0.00004976340228
                   +1 :              -0.00010727531799
                3p
                   -1 :              -0.00009095256023
                   +0 :               0.00000820308164
                   +1 :               0.00006538281719
                3d
                   -2 :               0.00000267965084
                   -1 :              -0.00001372714485
                   +0 :              -0.00000676107808
                   +1 :              -0.00000006768103
                   +2 :               0.00000719685956
             14 vec=   -13.386548     10.723313     -4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00006105719376
                2s
                   +0 :              -0.00059293528381
                3s
                   +0 :               0.00010704124554
                2p
                   -1 :              -0.00009725044985
                   +0 :               0.00012069405149
                   +1 :               0.00016785344879
                3p
                   -1 :               0.00001430413782
                   +0 :              -0.00005010618557
                   +1 :              -0.00004375596036
                3d
                   -2 :              -0.00000847170297
                   -1 :              -0.00000729909887
                   +0 :              -0.00000092920629
                   +1 :              -0.00000462463707
                   +2 :              -0.00000040913299
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 26)  npairs=  14
              1 vec=    -2.593388      1.739555     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00227643209688
                2s
                   +0 :              -0.04130206301207
                3s
                   +0 :               0.00460312297355
                2p
                   -1 :              -0.00831726327901
                   +0 :               0.02229684073759
                   +1 :               0.01242028190522
                3p
                   -1 :              -0.00047259232091
                   +0 :              -0.00106341908096
                   +1 :              -0.00554329242573
                3d
                   -2 :               0.00061102251585
                   -1 :               0.00186913344527
                   +0 :              -0.00140849916706
                   +1 :              -0.00057840651429
                   +2 :               0.00043565745350
              2 vec=     5.186775     -2.752324     -4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00136738320066
                2s
                   +0 :               0.00920623886874
                3s
                   +0 :              -0.00425668956254
                2p
                   -1 :              -0.00268006240964
                   +0 :              -0.00049983647855
                   +1 :               0.00913735191182
                3p
                   -1 :               0.00125658269318
                   +0 :              -0.00080098391018
                   +1 :              -0.00708685512959
                3d
                   -2 :               0.00034726095432
                   -1 :              -0.00003985661265
                   +0 :               0.00022197645524
                   +1 :               0.00020440538266
                   +2 :              -0.00017981970646
              3 vec=    -2.593388     -7.244203     -4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00031595240658
                2s
                   +0 :              -0.00322127411180
                3s
                   +0 :               0.00059829479947
                2p
                   -1 :              -0.00093038937060
                   +0 :               0.00368018175310
                   +1 :              -0.00064946132666
                3p
                   -1 :               0.00017353850508
                   +0 :              -0.00179021716500
                   +1 :              -0.00047840149436
                3d
                   -2 :               0.00018647733753
                   -1 :              -0.00007903986106
                   +0 :              -0.00016810960198
                   +1 :               0.00020458354585
                   +2 :               0.00001618571815
              4 vec=     5.186775      6.231434     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00024154634090
                2s
                   +0 :               0.00210816244507
                3s
                   +0 :              -0.00042069546544
                2p
                   -1 :               0.00316231798255
                   +0 :              -0.00072769357765
                   +1 :               0.00189884647546
                3p
                   -1 :              -0.00200251342736
                   +0 :               0.00091528427337
                   +1 :              -0.00104014095163
                3d
                   -2 :              -0.00005252881666
                   -1 :               0.00008269616470
                   +0 :              -0.00003540442799
                   +1 :               0.00005028263131
                   +2 :               0.00001780653734
              5 vec=   -10.373550     -2.752324     -4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00018003979268
                2s
                   +0 :              -0.00195981807457
                3s
                   +0 :               0.00049115538630
                2p
                   -1 :               0.00106747617629
                   +0 :               0.00018318301449
                   +1 :               0.00151742434522
                3p
                   -1 :              -0.00051520154992
                   +0 :               0.00002773923755
                   +1 :              -0.00088963160825
                3d
                   -2 :               0.00005779402745
                   -1 :               0.00004521485093
                   +0 :              -0.00003002406824
                   +1 :              -0.00009439333126
                   +2 :               0.00001249877460
              6 vec=    -2.593388     10.723313     -4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00004737435378
                2s
                   +0 :              -0.00021555573087
                3s
                   +0 :               0.00005458646812
                2p
                   -1 :               0.00006517851556
                   +0 :              -0.00032159050793
                   +1 :              -0.00069218423109
                3p
                   -1 :              -0.00020092034326
                   +0 :               0.00031025075943
                   +1 :               0.00027322056483
                3d
                   -2 :               0.00002654955421
                   -1 :               0.00002614514616
                   +0 :               0.00006803906691
                   +1 :               0.00003851000001
                   +2 :               0.00003196920764
              7 vec=   -10.373550      6.231434     -4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00011001376822
                2s
                   +0 :              -0.00157111567971
                3s
                   +0 :               0.00017100010942
                2p
                   -1 :               0.00001886579062
                   +0 :               0.00017426311810
                   +1 :               0.00044276834769
                3p
                   -1 :              -0.00014786948601
                   +0 :              -0.00005439420989
                   +1 :              -0.00014005050233
                3d
                   -2 :               0.00001798963662
                   -1 :              -0.00004325187999
                   +0 :              -0.00001256774326
                   +1 :              -0.00000665552174
                   +2 :               0.00003078742818
              8 vec=     5.186775    -11.736082     -4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00000397212200
                2s
                   +0 :               0.00030678283569
                3s
                   +0 :               0.00005994985444
                2p
                   -1 :              -0.00039540162409
                   +0 :              -0.00016904145794
                   +1 :              -0.00062087062785
                3p
                   -1 :               0.00026617656797
                   +0 :              -0.00003781910738
                   +1 :               0.00049502504549
                3d
                   -2 :              -0.00002195179148
                   -1 :               0.00003290595782
                   +0 :               0.00000768338624
                   +1 :               0.00000377609652
                   +2 :               0.00002254987519
              9 vec=    12.966938      1.739555     -4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00013169271686
                2s
                   +0 :               0.00150514544041
                3s
                   +0 :              -0.00015971091872
                2p
                   -1 :              -0.00007677664456
                   +0 :              -0.00060610018922
                   +1 :               0.00024459929305
                3p
                   -1 :               0.00023121071661
                   +0 :               0.00009904625855
                   +1 :               0.00003750412108
                3d
                   -2 :               0.00000323092451
                   -1 :              -0.00003760526491
                   +0 :               0.00002749980778
                   +1 :               0.00000446348499
                   +2 :              -0.00001044703820
             10 vec=    12.966938     -7.244203     -4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00005720442822
                2s
                   +0 :               0.00050055614305
                3s
                   +0 :              -0.00008793991200
                2p
                   -1 :              -0.00011193046893
                   +0 :              -0.00006859069199
                   +1 :               0.00024757465576
                3p
                   -1 :              -0.00005884924882
                   +0 :               0.00004100464915
                   +1 :              -0.00011445650151
                3d
                   -2 :              -0.00001062873943
                   -1 :              -0.00000783578747
                   +0 :               0.00000550012725
                   +1 :               0.00000537863620
                   +2 :              -0.00001789348914
             11 vec=   -10.373550    -11.736082     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00002621531795
                2s
                   +0 :              -0.00036860970110
                3s
                   +0 :               0.00004894720768
                2p
                   -1 :               0.00009836177624
                   +0 :              -0.00004581761154
                   +1 :               0.00022383330749
                3p
                   -1 :               0.00002592965610
                   +0 :               0.00006850959456
                   +1 :              -0.00003692370473
                3d
                   -2 :              -0.00000044795822
                   -1 :               0.00001213624271
                   +0 :               0.00001721309335
                   +1 :              -0.00001003518619
                   +2 :               0.00000269432138
             12 vec=     5.186775     15.215192     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00003048987251
                2s
                   +0 :               0.00027725679657
                3s
                   +0 :              -0.00005149356801
                2p
                   -1 :               0.00015798001349
                   +0 :               0.00008869213636
                   +1 :              -0.00005728683286
                3p
                   -1 :              -0.00002588837490
                   +0 :              -0.00010982792201
                   +1 :               0.00001780116095
                3d
                   -2 :              -0.00000337946365
                   -1 :              -0.00000662338751
                   +0 :               0.00000150235495
                   +1 :               0.00000923269555
                   +2 :               0.00000492104920
             13 vec=    -2.593388    -16.227961     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00000299387444
                2s
                   +0 :              -0.00005861459158
                3s
                   +0 :              -0.00000162259903
                2p
                   -1 :               0.00001246536986
                   +0 :              -0.00005880932802
                   +1 :               0.00008145924009
                3p
                   -1 :              -0.00000128394717
                   +0 :               0.00001069376988
                   +1 :              -0.00006980075426
                3d
                   -2 :              -0.00000112323837
                   -1 :               0.00000283012941
                   +0 :              -0.00000118649993
                   +1 :              -0.00000189303279
                   +2 :               0.00000153694712
             14 vec=    12.966938     10.723313     -4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00002911270280
                2s
                   +0 :               0.00033348432141
                3s
                   +0 :              -0.00003288448139
                2p
                   -1 :               0.00008345972932
                   +0 :               0.00001190496861
                   +1 :              -0.00001391326676
                3p
                   -1 :              -0.00000558538312
                   +0 :              -0.00004032702357
                   +1 :               0.00009734701610
                3d
                   -2 :               0.00000077441621
                   -1 :              -0.00000415171456
                   +0 :               0.00000318754512
                   +1 :              -0.00000279953932
                   +2 :               0.00000577496785
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 27)  npairs=  14
              1 vec=    -0.209805     -3.115717     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00223046312556
                2s
                   +0 :              -0.01380942344406
                3s
                   +0 :               0.00540744066320
                2p
                   -1 :               0.00643041502775
                   +0 :               0.00072532734108
                   +1 :              -0.00412974373076
                3p
                   -1 :              -0.00558428821304
                   +0 :               0.00168351781402
                   +1 :              -0.00375559316563
                3d
                   -2 :               0.00110884522441
                   -1 :              -0.00000192628011
                   +0 :              -0.00097993188152
                   +1 :               0.00136269728344
                   +2 :              -0.00000654571845
              2 vec=    -0.209805      5.868041     -4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00004464933165
                2s
                   +0 :              -0.00037027196879
                3s
                   +0 :               0.00003076712646
                2p
                   -1 :              -0.00343552599255
                   +0 :               0.00143704942202
                   +1 :               0.00231817593665
                3p
                   -1 :               0.00292684793842
                   +0 :              -0.00069950886454
                   +1 :              -0.00306910958229
                3d
                   -2 :              -0.00013928787636
                   -1 :              -0.00008194394489
                   +0 :              -0.00005047050682
                   +1 :               0.00015110859032
                   +2 :              -0.00031516617570
              3 vec=     7.570358      1.376162     -4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00022829754496
                2s
                   +0 :               0.00229526168999
                3s
                   +0 :              -0.00005151834266
                2p
                   -1 :               0.00155844190936
                   +0 :              -0.00368202353169
                   +1 :               0.00163753154428
                3p
                   -1 :              -0.00011722063187
                   +0 :               0.00008427177527
                   +1 :              -0.00073504895459
                3d
                   -2 :              -0.00005666120040
                   -1 :              -0.00021405260602
                   +0 :               0.00024465038685
                   +1 :               0.00007590406245
                   +2 :              -0.00011151463811
              4 vec=    -7.989968      1.376162     -4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00087729848384
                2s
                   +0 :              -0.00798172875568
                3s
                   +0 :               0.00136297305191
                2p
                   -1 :              -0.00280915400613
                   +0 :               0.00371976243678
                   +1 :               0.00069293784349
                3p
                   -1 :               0.00211738747041
                   +0 :              -0.00038837880408
                   +1 :               0.00023141424276
                3d
                   -2 :               0.00005716079106
                   -1 :               0.00010538119613
                   +0 :              -0.00023886755033
                   +1 :              -0.00023777717770
                   +2 :              -0.00015306574091
              5 vec=     7.570358     -7.607596     -4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00018748263504
                2s
                   +0 :              -0.00071277837799
                3s
                   +0 :               0.00060053156233
                2p
                   -1 :               0.00063511627839
                   +0 :              -0.00073301449283
                   +1 :              -0.00088576410326
                3p
                   -1 :              -0.00083470425472
                   +0 :               0.00044569306508
                   +1 :               0.00070145068910
                3d
                   -2 :              -0.00001646112166
                   -1 :              -0.00004475060356
                   +0 :               0.00004508709591
                   +1 :               0.00003985574251
                   +2 :              -0.00004171622686
              6 vec=    -7.989968     -7.607596     -4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00006327038473
                2s
                   +0 :              -0.00091727510082
                3s
                   +0 :              -0.00003313110995
                2p
                   -1 :               0.00002601888213
                   +0 :               0.00087033924403
                   +1 :               0.00088379206018
                3p
                   -1 :               0.00027690872342
                   +0 :              -0.00059903113240
                   +1 :              -0.00034574776799
                3d
                   -2 :              -0.00009656109253
                   -1 :               0.00000448787305
                   +0 :               0.00010654964197
                   +1 :              -0.00002046958395
                   +2 :               0.00003978202687
              7 vec=    -0.209805    -12.099475     -4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00013930747149
                2s
                   +0 :              -0.00092613630614
                3s
                   +0 :               0.00039195850468
                2p
                   -1 :               0.00045715073822
                   +0 :              -0.00028117668555
                   +1 :              -0.00000602143247
                3p
                   -1 :              -0.00030694194010
                   +0 :               0.00015530001731
                   +1 :              -0.00005897590967
                3d
                   -2 :               0.00000043679536
                   -1 :               0.00002434233004
                   +0 :              -0.00001544474034
                   +1 :              -0.00002780144348
                   +2 :               0.00000707585378
              8 vec=     7.570358     10.359920     -4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00002912603380
                2s
                   +0 :               0.00076497621715
                3s
                   +0 :               0.00005996137430
                2p
                   -1 :              -0.00024012712516
                   +0 :              -0.00017877730092
                   +1 :               0.00029745664592
                3p
                   -1 :               0.00042022571896
                   +0 :              -0.00009081094298
                   +1 :              -0.00006422142144
                3d
                   -2 :               0.00000390758522
                   -1 :               0.00001587140469
                   +0 :               0.00001694458681
                   +1 :              -0.00000862939007
                   +2 :              -0.00003268789415
              9 vec=    -7.989968     10.359920     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00010898953797
                2s
                   +0 :              -0.00137126098895
                3s
                   +0 :               0.00015500649880
                2p
                   -1 :              -0.00074296112742
                   +0 :               0.00028914716254
                   +1 :               0.00029091374253
                3p
                   -1 :               0.00031440001195
                   +0 :              -0.00005077384031
                   +1 :              -0.00014915396674
                3d
                   -2 :               0.00000749718429
                   -1 :               0.00000149063983
                   +0 :              -0.00000774005931
                   +1 :               0.00002961414495
                   +2 :              -0.00002772609131
             10 vec=    -0.209805     14.851799     -4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00003484879242
                2s
                   +0 :               0.00023882525853
                3s
                   +0 :              -0.00010647904286
                2p
                   -1 :               0.00017392635626
                   +0 :              -0.00008037397292
                   +1 :              -0.00011435597549
                3p
                   -1 :              -0.00012545339506
                   +0 :               0.00006531782916
                   +1 :               0.00002608356781
                3d
                   -2 :               0.00000131993217
                   -1 :               0.00001125803907
                   +0 :               0.00000015319206
                   +1 :               0.00000470255989
                   +2 :               0.00000864440811
             11 vec=    15.350520     -3.115717     -4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00005189827332
                2s
                   +0 :               0.00053813625245
                3s
                   +0 :              -0.00005529896512
                2p
                   -1 :              -0.00008365105000
                   +0 :               0.00004548181433
                   +1 :               0.00024757158326
                3p
                   -1 :              -0.00003330472474
                   +0 :              -0.00013147075617
                   +1 :              -0.00000071435623
                3d
                   -2 :              -0.00000038309724
                   -1 :               0.00000540245152
                   +0 :              -0.00001392184052
                   +1 :              -0.00001532693927
                   +2 :               0.00000966696434
             12 vec=   -15.770130     -3.115717     -4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00002298485894
                2s
                   +0 :              -0.00029067316120
                3s
                   +0 :               0.00005142828027
                2p
                   -1 :               0.00005951086623
                   +0 :              -0.00017930339611
                   +1 :              -0.00007330969501
                3p
                   -1 :               0.00005832369458
                   +0 :               0.00010954101856
                   +1 :               0.00015445133794
                3d
                   -2 :               0.00000355912495
                   -1 :               0.00000231600317
                   +0 :               0.00001307808500
                   +1 :               0.00001462626004
                   +2 :              -0.00001765451584
             13 vec=    15.350520      5.868041     -4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00004286305212
                2s
                   +0 :               0.00042265747172
                3s
                   +0 :              -0.00005266296738
                2p
                   -1 :               0.00001168059528
                   +0 :               0.00009219366359
                   +1 :               0.00011627749874
                3p
                   -1 :               0.00005749404152
                   +0 :              -0.00010321951509
                   +1 :              -0.00000489194674
                3d
                   -2 :               0.00000580141767
                   -1 :              -0.00000589486633
                   +0 :               0.00000468515271
                   +1 :              -0.00001133248667
                   +2 :               0.00000062170572
             14 vec=   -15.770130      5.868041     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00001878078789
                2s
                   +0 :              -0.00029348285462
                3s
                   +0 :               0.00000179532522
                2p
                   -1 :              -0.00016865609041
                   +0 :              -0.00006770763221
                   +1 :               0.00001026410477
                3p
                   -1 :               0.00009320092779
                   +0 :               0.00003674153739
                   +1 :               0.00008041502705
                3d
                   -2 :               0.00000303208294
                   -1 :              -0.00000404671338
                   +0 :               0.00000369128639
                   +1 :               0.00000630394886
                   +2 :              -0.00000444129295
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 28)  npairs=  15
              1 vec=     5.186256      0.000299      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00012945037882
                2s
                   +0 :               0.00141834913201
                3s
                   +0 :              -0.00018697282313
                2p
                   -1 :              -0.00157910495503
                   +0 :               0.00137128491537
                   +1 :              -0.00031402324655
                3p
                   -1 :              -0.00015246961350
                   +0 :               0.00001896775643
                   +1 :               0.00060356650051
                3d
                   -2 :              -0.00010092471719
                   -1 :              -0.00009041020649
                   +0 :              -0.00003350269017
                   +1 :               0.00014496768133
                   +2 :              -0.00007670843800
              2 vec=    -2.593906     -4.491580      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00041394260349
                2s
                   +0 :               0.00271783953884
                3s
                   +0 :              -0.00134414793864
                2p
                   -1 :               0.00026747797008
                   +0 :              -0.00067033525856
                   +1 :               0.00309355606918
                3p
                   -1 :              -0.00047988478740
                   +0 :               0.00045153618705
                   +1 :              -0.00040109651356
                3d
                   -2 :              -0.00013500700602
                   -1 :              -0.00010711516459
                   +0 :              -0.00008625904507
                   +1 :               0.00034770536417
                   +2 :               0.00007055400508
              3 vec=    -2.593906      4.492178      8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00075276524050
                2s
                   +0 :              -0.00661983065723
                3s
                   +0 :               0.00106486727031
                2p
                   -1 :              -0.00222249376083
                   +0 :              -0.00345386953506
                   +1 :               0.00212503053097
                3p
                   -1 :              -0.00009274040858
                   +0 :               0.00009737046096
                   +1 :              -0.00187299272517
                3d
                   -2 :              -0.00006039392783
                   -1 :              -0.00037931475285
                   +0 :              -0.00015325387098
                   +1 :              -0.00018596249444
                   +2 :               0.00018969519375
              4 vec=     5.186256     -8.983459      8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00020831056744
                2s
                   +0 :              -0.00149718638218
                3s
                   +0 :               0.00033330005276
                2p
                   -1 :               0.00076880711180
                   +0 :              -0.00019136461082
                   +1 :               0.00067488443986
                3p
                   -1 :              -0.00039456108682
                   +0 :               0.00020536184966
                   +1 :              -0.00066882663278
                3d
                   -2 :               0.00005838479174
                   -1 :              -0.00000316279535
                   +0 :               0.00000771789274
                   +1 :               0.00000970281477
                   +2 :               0.00003684538510
              5 vec=     5.186256      8.984057      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00002751560288
                2s
                   +0 :               0.00002955342431
                3s
                   +0 :               0.00009579430607
                2p
                   -1 :              -0.00003229350165
                   +0 :              -0.00019023270551
                   +1 :              -0.00001051792471
                3p
                   -1 :               0.00006936418710
                   +0 :               0.00016179057280
                   +1 :              -0.00007633878028
                3d
                   -2 :              -0.00000946924285
                   -1 :               0.00001579581013
                   +0 :               0.00001854903848
                   +1 :              -0.00003675275876
                   +2 :              -0.00001005065405
              6 vec=   -10.374069      0.000299      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00002520396484
                2s
                   +0 :               0.00034504749584
                3s
                   +0 :               0.00008880427189
                2p
                   -1 :               0.00084042469578
                   +0 :              -0.00004231239436
                   +1 :               0.00006875758620
                3p
                   -1 :              -0.00004283945009
                   +0 :               0.00042533093664
                   +1 :              -0.00020335327047
                3d
                   -2 :              -0.00000081915644
                   -1 :               0.00008504292167
                   +0 :               0.00003307418973
                   +1 :              -0.00007455211507
                   +2 :              -0.00002817399868
              7 vec=    12.966419     -4.491580      8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00000582296713
                2s
                   +0 :               0.00003494806050
                3s
                   +0 :               0.00000239439227
                2p
                   -1 :              -0.00020975705761
                   +0 :               0.00041683563817
                   +1 :              -0.00015218123825
                3p
                   -1 :               0.00011303709764
                   +0 :              -0.00021283850339
                   +1 :               0.00024200166684
                3d
                   -2 :               0.00000004658514
                   -1 :               0.00001862073690
                   +0 :              -0.00001745140237
                   +1 :               0.00001280492710
                   +2 :               0.00002868417872
              8 vec=    12.966419      4.492178      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00003008795803
                2s
                   +0 :               0.00032748706907
                3s
                   +0 :              -0.00003137566421
                2p
                   -1 :              -0.00008254960387
                   +0 :               0.00040830307980
                   +1 :               0.00016215676113
                3p
                   -1 :               0.00011648531479
                   +0 :              -0.00016662635435
                   +1 :              -0.00005943264881
                3d
                   -2 :               0.00000453500828
                   -1 :               0.00002930009940
                   +0 :               0.00000498193199
                   +1 :              -0.00000416048393
                   +2 :              -0.00000003902421
              9 vec=    -2.593906    -13.475338      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00001692459732
                2s
                   +0 :              -0.00011620190866
                3s
                   +0 :               0.00003681219519
                2p
                   -1 :              -0.00001298868806
                   +0 :              -0.00013926249754
                   +1 :               0.00000050714881
                3p
                   -1 :               0.00000034300832
                   +0 :               0.00005138160209
                   +1 :               0.00002214077992
                3d
                   -2 :              -0.00001817551312
                   -1 :              -0.00000383506308
                   +0 :              -0.00000502250254
                   +1 :              -0.00000638558902
                   +2 :               0.00000678618623
             10 vec=   -10.374069     -8.983459      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00008486850227
                2s
                   +0 :               0.00102467675376
                3s
                   +0 :               0.00003896932015
                2p
                   -1 :              -0.00042196039084
                   +0 :              -0.00018496178359
                   +1 :              -0.00010168257383
                3p
                   -1 :              -0.00006314063029
                   +0 :               0.00011420328595
                   +1 :               0.00000332553365
                3d
                   -2 :               0.00003678761109
                   -1 :               0.00002950199398
                   +0 :               0.00001210542606
                   +1 :               0.00000771973369
                   +2 :              -0.00003165358063
             11 vec=    -2.593906     13.475936      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00000578523078
                2s
                   +0 :               0.00005153517946
                3s
                   +0 :               0.00002822578498
                2p
                   -1 :              -0.00004160372016
                   +0 :               0.00018065837390
                   +1 :              -0.00003507641321
                3p
                   -1 :               0.00010135911356
                   +0 :              -0.00002757346919
                   +1 :               0.00000502393183
                3d
                   -2 :              -0.00000435706556
                   -1 :               0.00001359032989
                   +0 :               0.00000701880442
                   +1 :               0.00000911529879
                   +2 :              -0.00000753940621
             12 vec=   -10.374069      8.984057      8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00000070723408
                2s
                   +0 :              -0.00015577239915
                3s
                   +0 :              -0.00008182549633
                2p
                   -1 :               0.00008539087033
                   +0 :               0.00001245788320
                   +1 :              -0.00004473051736
                3p
                   -1 :              -0.00006124755964
                   +0 :              -0.00008229713678
                   +1 :               0.00009529770587
                3d
                   -2 :               0.00000105852456
                   -1 :              -0.00001515978653
                   +0 :               0.00000465940353
                   +1 :               0.00000154984446
                   +2 :              -0.00000105528663
             13 vec=     5.186256      0.000299    -16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000202755364
                2s
                   +0 :               0.00009513911215
                3s
                   +0 :               0.00003205073998
                2p
                   -1 :              -0.00004556222729
                   +0 :              -0.00004128362457
                   +1 :               0.00003866425860
                3p
                   -1 :               0.00002547013440
                   +0 :              -0.00001142613383
                   +1 :              -0.00003400719812
                3d
                   -2 :              -0.00000001086952
                   -1 :              -0.00000115568432
                   +0 :              -0.00000170470273
                   +1 :               0.00000131212144
                   +2 :               0.00000479514027
             14 vec=    -2.593906     -4.491580    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00002460782491
                2s
                   +0 :              -0.00019052315765
                3s
                   +0 :               0.00005702121457
                2p
                   -1 :              -0.00001240791522
                   +0 :               0.00010926065885
                   +1 :              -0.00013694346070
                3p
                   -1 :               0.00001712689875
                   +0 :              -0.00004510177283
                   +1 :               0.00004886956927
                3d
                   -2 :               0.00000069129053
                   -1 :              -0.00000338927849
                   +0 :              -0.00000229585316
                   +1 :               0.00000111504262
                   +2 :               0.00000693316908
             15 vec=    -2.593906      4.492178    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000505780718
                2s
                   +0 :               0.00003704995696
                3s
                   +0 :               0.00003973361491
                2p
                   -1 :              -0.00015036667008
                   +0 :               0.00000914171882
                   +1 :              -0.00015340922394
                3p
                   -1 :               0.00008680943155
                   +0 :              -0.00007313174854
                   +1 :               0.00003456909929
                3d
                   -2 :               0.00000201068567
                   -1 :               0.00000183926945
                   +0 :               0.00000104814453
                   +1 :               0.00000555392700
                   +2 :              -0.00000132613428
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 29)  npairs=  15
              1 vec=     2.174296     -4.491580      8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00038658164776
                2s
                   +0 :              -0.00457942053145
                3s
                   +0 :               0.00011120745777
                2p
                   -1 :               0.00039319744796
                   +0 :              -0.00184197352756
                   +1 :              -0.00489392849330
                3p
                   -1 :               0.00087920276132
                   +0 :              -0.00090900035670
                   +1 :               0.00283470270203
                3d
                   -2 :               0.00019945348436
                   -1 :               0.00024436387211
                   +0 :              -0.00015246523603
                   +1 :              -0.00005773854525
                   +2 :              -0.00003489107689
              2 vec=     2.174296      4.492178      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00039870304980
                2s
                   +0 :               0.00348219523503
                3s
                   +0 :              -0.00086782528498
                2p
                   -1 :               0.00174882138624
                   +0 :               0.00424427941834
                   +1 :              -0.00221285523672
                3p
                   -1 :               0.00021678276551
                   +0 :              -0.00131126490460
                   +1 :               0.00059561072616
                3d
                   -2 :              -0.00008202506429
                   -1 :               0.00015931971889
                   +0 :               0.00000126557027
                   +1 :              -0.00006862792035
                   +2 :              -0.00011182581525
              3 vec=    -5.605867      0.000299      8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00005943733106
                2s
                   +0 :               0.00197090261779
                3s
                   +0 :              -0.00014671989736
                2p
                   -1 :               0.00395965441118
                   +0 :               0.00197809095072
                   +1 :               0.00214901057789
                3p
                   -1 :              -0.00082571154732
                   +0 :              -0.00169633625619
                   +1 :              -0.00018595043899
                3d
                   -2 :              -0.00005493606431
                   -1 :               0.00035184311974
                   +0 :              -0.00008561241217
                   +1 :               0.00012769191165
                   +2 :              -0.00014919580794
              4 vec=     9.954459      0.000299      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00009888131314
                2s
                   +0 :               0.00086567382042
                3s
                   +0 :              -0.00028358057859
                2p
                   -1 :              -0.00002794880029
                   +0 :               0.00011366199192
                   +1 :               0.00020485117076
                3p
                   -1 :              -0.00007384745486
                   +0 :               0.00008698076221
                   +1 :              -0.00016924169634
                3d
                   -2 :              -0.00000882796557
                   -1 :              -0.00000241881914
                   +0 :               0.00004492974417
                   +1 :              -0.00000807847760
                   +2 :              -0.00001553310156
              5 vec=    -5.605867     -8.983459      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00007585921414
                2s
                   +0 :               0.00072836868497
                3s
                   +0 :              -0.00005537135261
                2p
                   -1 :              -0.00101351819407
                   +0 :              -0.00013435945928
                   +1 :               0.00061785537821
                3p
                   -1 :               0.00044976728911
                   +0 :               0.00028243128656
                   +1 :              -0.00015628706610
                3d
                   -2 :              -0.00004896052961
                   -1 :              -0.00000482915129
                   +0 :               0.00005977168628
                   +1 :              -0.00000297088017
                   +2 :              -0.00001442733159
              6 vec=    -5.605867      8.984057      8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00007035706525
                2s
                   +0 :              -0.00100188417857
                3s
                   +0 :               0.00001025206711
                2p
                   -1 :              -0.00042726351140
                   +0 :              -0.00018991619308
                   +1 :               0.00038097852429
                3p
                   -1 :              -0.00004933570154
                   +0 :               0.00008776422525
                   +1 :              -0.00018906445517
                3d
                   -2 :               0.00004099991809
                   -1 :              -0.00000382227295
                   +0 :               0.00000237771968
                   +1 :              -0.00002712472854
                   +2 :               0.00002580840052
              7 vec=     9.954459     -8.983459      8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00006733912637
                2s
                   +0 :              -0.00065674165857
                3s
                   +0 :               0.00013902575016
                2p
                   -1 :              -0.00011788043357
                   +0 :              -0.00030261142370
                   +1 :              -0.00057457447777
                3p
                   -1 :               0.00005036407678
                   +0 :               0.00012509565650
                   +1 :               0.00034176373405
                3d
                   -2 :               0.00000688752844
                   -1 :              -0.00000198146113
                   +0 :              -0.00000306174129
                   +1 :              -0.00002659114982
                   +2 :              -0.00002192640538
              8 vec=     9.954459      8.984057      8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00003259471556
                2s
                   +0 :               0.00035781058875
                3s
                   +0 :              -0.00009231630281
                2p
                   -1 :               0.00040934631127
                   +0 :               0.00040003394218
                   +1 :               0.00002588711262
                3p
                   -1 :              -0.00025381472457
                   +0 :              -0.00028191275539
                   +1 :               0.00002620660965
                3d
                   -2 :              -0.00000745419114
                   -1 :              -0.00002211313625
                   +0 :              -0.00001124830607
                   +1 :               0.00001094129446
                   +2 :               0.00000492976910
              9 vec=     2.174296    -13.475338      8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00001535422798
                2s
                   +0 :               0.00005609680616
                3s
                   +0 :              -0.00004234330498
                2p
                   -1 :              -0.00010195791946
                   +0 :               0.00003261306020
                   +1 :               0.00001261625495
                3p
                   -1 :               0.00007455621124
                   +0 :               0.00009181369532
                   +1 :               0.00007878286043
                3d
                   -2 :              -0.00001567279702
                   -1 :              -0.00001343066159
                   +0 :              -0.00000484741733
                   +1 :               0.00000524579743
                   +2 :              -0.00000084732928
             10 vec=     2.174296     13.475936      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00002120952801
                2s
                   +0 :              -0.00020763101119
                3s
                   +0 :               0.00005561030797
                2p
                   -1 :              -0.00009132843909
                   +0 :               0.00004783124900
                   +1 :              -0.00004784452085
                3p
                   -1 :               0.00006709250866
                   +0 :               0.00002809646272
                   +1 :               0.00006010853082
                3d
                   -2 :               0.00000803325899
                   -1 :               0.00000860268331
                   +0 :              -0.00000153829375
                   +1 :              -0.00000010668866
                   +2 :               0.00000283439545
             11 vec=   -13.386029     -4.491580      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00018019578185
                2s
                   +0 :               0.00160459009058
                3s
                   +0 :              -0.00031894960260
                2p
                   -1 :               0.00047069982003
                   +0 :               0.00014791931910
                   +1 :              -0.00034022123111
                3p
                   -1 :              -0.00031801432702
                   +0 :              -0.00016394603206
                   +1 :              -0.00007609919180
                3d
                   -2 :              -0.00001397485665
                   -1 :              -0.00002113996164
                   +0 :               0.00001959684665
                   +1 :               0.00003544400730
                   +2 :               0.00000640941308
             12 vec=   -13.386029      4.492178      8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00005823020408
                2s
                   +0 :              -0.00050294234238
                3s
                   +0 :               0.00014265548380
                2p
                   -1 :              -0.00000943862371
                   +0 :              -0.00035523070839
                   +1 :               0.00031972264971
                3p
                   -1 :               0.00008477226416
                   +0 :               0.00009376642299
                   +1 :              -0.00015714157695
                3d
                   -2 :              -0.00000400316309
                   -1 :              -0.00001256899847
                   +0 :              -0.00000046442453
                   +1 :              -0.00000652595512
                   +2 :              -0.00000141641311
             13 vec=     2.174296     -4.491580    -16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00001155255208
                2s
                   +0 :               0.00013753633563
                3s
                   +0 :              -0.00001423594657
                2p
                   -1 :              -0.00010929966176
                   +0 :              -0.00006197617468
                   +1 :              -0.00011934182781
                3p
                   -1 :               0.00003183135770
                   +0 :              -0.00000681208047
                   +1 :               0.00005499279081
                3d
                   -2 :               0.00000141299763
                   -1 :              -0.00000078205222
                   +0 :               0.00000024888300
                   +1 :              -0.00000453256495
                   +2 :               0.00000417802270
             14 vec=     2.174296      4.492178    -16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00003769531388
                2s
                   +0 :               0.00030619992530
                3s
                   +0 :              -0.00009029773408
                2p
                   -1 :              -0.00008998270787
                   +0 :              -0.00015509662110
                   +1 :              -0.00009092896566
                3p
                   -1 :               0.00005590767600
                   +0 :               0.00009507599035
                   +1 :               0.00001858379306
                3d
                   -2 :               0.00000233909597
                   -1 :              -0.00000247015443
                   +0 :              -0.00001534711238
                   +1 :               0.00000739221463
                   +2 :               0.00000401250859
             15 vec=    -5.605867      0.000299    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00001252527660
                2s
                   +0 :              -0.00011011716074
                3s
                   +0 :               0.00001057726331
                2p
                   -1 :               0.00000645110298
                   +0 :               0.00004447831160
                   +1 :              -0.00005910044015
                3p
                   -1 :              -0.00003464246388
                   +0 :               0.00001922567201
                   +1 :               0.00000748394562
                3d
                   -2 :               0.00000756702715
                   -1 :               0.00000605445174
                   +0 :              -0.00000375900438
                   +1 :               0.00000118102482
                   +2 :               0.00000231115419
WF             site_B          number of pairs
WF( 35)=[O_10_2px]  to site O ( 30)  npairs=  14
              1 vec=    -0.209805      0.362794      8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00068589367545
                2s
                   +0 :              -0.00590403517005
                3s
                   +0 :               0.00122886415231
                2p
                   -1 :              -0.00166745409881
                   +0 :              -0.00230624579107
                   +1 :              -0.00363971792490
                3p
                   -1 :               0.00093377105520
                   +0 :               0.00098481384513
                   +1 :               0.00194820230652
                3d
                   -2 :               0.00016700631423
                   -1 :               0.00003674496305
                   +0 :               0.00001553525359
                   +1 :               0.00009978641596
                   +2 :              -0.00000851956133
              2 vec=     7.570358     -4.129085      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00010234332558
                2s
                   +0 :              -0.00045550086242
                3s
                   +0 :               0.00019529316072
                2p
                   -1 :              -0.00143447427125
                   +0 :               0.00012162951556
                   +1 :               0.00131497207698
                3p
                   -1 :               0.00091053800974
                   +0 :               0.00006447687963
                   +1 :              -0.00136058263341
                3d
                   -2 :               0.00005708874689
                   -1 :              -0.00003295874259
                   +0 :               0.00001098243197
                   +1 :              -0.00007475658754
                   +2 :              -0.00009842268310
              3 vec=    -0.209805     -8.620964      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00009451482620
                2s
                   +0 :              -0.00087488584988
                3s
                   +0 :               0.00025467576071
                2p
                   -1 :               0.00033956182289
                   +0 :              -0.00046009167247
                   +1 :               0.00111151512454
                3p
                   -1 :              -0.00017175908574
                   +0 :              -0.00005405337776
                   +1 :              -0.00094646368259
                3d
                   -2 :               0.00009800426540
                   -1 :               0.00003243794252
                   +0 :              -0.00003271505359
                   +1 :              -0.00010233343683
                   +2 :              -0.00003070694443
              4 vec=     7.570358      4.854673      8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00022590255039
                2s
                   +0 :               0.00202196586577
                3s
                   +0 :              -0.00060398420603
                2p
                   -1 :               0.00089132250132
                   +0 :               0.00134263849259
                   +1 :               0.00098348729424
                3p
                   -1 :              -0.00037574897751
                   +0 :              -0.00052300664825
                   +1 :              -0.00066829227583
                3d
                   -2 :              -0.00000021800046
                   -1 :              -0.00001265458491
                   +0 :              -0.00001966573002
                   +1 :              -0.00004003103963
                   +2 :              -0.00000027973518
              5 vec=    -7.989968     -4.129085      8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00096515300791
                2s
                   +0 :               0.00935827552068
                3s
                   +0 :              -0.00128626435906
                2p
                   -1 :              -0.00265066086688
                   +0 :               0.00422734291513
                   +1 :              -0.00168177778582
                3p
                   -1 :               0.00136156646497
                   +0 :              -0.00027801306611
                   +1 :              -0.00006822090936
                3d
                   -2 :               0.00007158116329
                   -1 :              -0.00013473584470
                   +0 :               0.00028931755370
                   +1 :              -0.00037783722886
                   +2 :               0.00012700371825
              6 vec=    -0.209805      9.346552      8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00010976940951
                2s
                   +0 :              -0.00077036109398
                3s
                   +0 :               0.00026950372774
                2p
                   -1 :               0.00016918434337
                   +0 :              -0.00021274757975
                   +1 :              -0.00072866507372
                3p
                   -1 :              -0.00023794649593
                   +0 :               0.00017718984822
                   +1 :               0.00035552748793
                3d
                   -2 :              -0.00000358437071
                   -1 :              -0.00000288505487
                   +0 :              -0.00001386794576
                   +1 :               0.00003870735033
                   +2 :              -0.00000906722331
              7 vec=    -7.989968      4.854673      8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00006918592159
                2s
                   +0 :              -0.00085297553684
                3s
                   +0 :               0.00003381749164
                2p
                   -1 :              -0.00013575332688
                   +0 :              -0.00033024468068
                   +1 :               0.00037049048547
                3p
                   -1 :               0.00018543569485
                   +0 :              -0.00027511726381
                   +1 :              -0.00005613030326
                3d
                   -2 :              -0.00004866062769
                   -1 :              -0.00001792901172
                   +0 :              -0.00005256028649
                   +1 :               0.00003652338779
                   +2 :              -0.00003415040581
              8 vec=    -0.209805      0.362794    -16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00000533311357
                2s
                   +0 :               0.00004669001543
                3s
                   +0 :               0.00003319420905
                2p
                   -1 :               0.00004861607917
                   +0 :              -0.00004434009206
                   +1 :              -0.00008699772579
                3p
                   -1 :              -0.00005755885408
                   +0 :              -0.00000491719098
                   +1 :               0.00000490814360
                3d
                   -2 :              -0.00000292626146
                   -1 :               0.00000408739073
                   +0 :               0.00000245933422
                   +1 :               0.00000124312223
                   +2 :              -0.00000202666089
              9 vec=     7.570358    -13.112843      8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00005761571023
                2s
                   +0 :              -0.00058419690820
                3s
                   +0 :               0.00015619163644
                2p
                   -1 :               0.00025920398060
                   +0 :              -0.00004037002809
                   +1 :              -0.00005115586729
                3p
                   -1 :              -0.00012634827752
                   +0 :              -0.00001164365015
                   +1 :              -0.00000392233659
                3d
                   -2 :               0.00000666931944
                   -1 :               0.00000557431675
                   +0 :              -0.00000748053614
                   +1 :              -0.00000735657691
                   +2 :              -0.00000627451599
             10 vec=    15.350520      0.362794      8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00002423317408
                2s
                   +0 :              -0.00007761255669
                3s
                   +0 :               0.00007984052832
                2p
                   -1 :              -0.00017891309639
                   +0 :               0.00012921779373
                   +1 :               0.00000270013662
                3p
                   -1 :               0.00004246607302
                   +0 :              -0.00000029766976
                   +1 :               0.00009470448867
                3d
                   -2 :              -0.00000816955426
                   -1 :              -0.00000872095008
                   +0 :               0.00000435623972
                   +1 :               0.00000863844180
                   +2 :               0.00000959890547
             11 vec=    -7.989968    -13.112843      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00001918430442
                2s
                   +0 :               0.00027437533869
                3s
                   +0 :              -0.00003937547002
                2p
                   -1 :              -0.00006661924773
                   +0 :              -0.00007205447018
                   +1 :              -0.00003506609088
                3p
                   -1 :              -0.00004566523937
                   +0 :              -0.00001773901103
                   +1 :               0.00013980382795
                3d
                   -2 :              -0.00001455369397
                   -1 :               0.00000677899942
                   +0 :              -0.00001489261399
                   +1 :               0.00001042668140
                   +2 :              -0.00000594815763
             12 vec=     7.570358     13.838431      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000358381317
                2s
                   +0 :               0.00000780763105
                3s
                   +0 :              -0.00000704328178
                2p
                   -1 :               0.00006588416341
                   +0 :               0.00000473607681
                   +1 :              -0.00008522500789
                3p
                   -1 :               0.00001776034311
                   +0 :               0.00001963787468
                   +1 :               0.00002156429779
                3d
                   -2 :              -0.00000157397075
                   -1 :               0.00000641066127
                   +0 :               0.00000356286229
                   +1 :              -0.00000186482383
                   +2 :              -0.00000505439075
             13 vec=   -15.770130      0.362794      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00004121088349
                2s
                   +0 :               0.00037196536077
                3s
                   +0 :              -0.00008544074783
                2p
                   -1 :               0.00012557985827
                   +0 :              -0.00010814247655
                   +1 :              -0.00018251511046
                3p
                   -1 :               0.00006575055003
                   +0 :               0.00004930043214
                   +1 :               0.00012291373832
                3d
                   -2 :              -0.00000647291258
                   -1 :               0.00001528771607
                   +0 :              -0.00000674911292
                   +1 :               0.00000149745500
                   +2 :              -0.00000455899480
             14 vec=    -7.989968     13.838431      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00004431677838
                2s
                   +0 :              -0.00043489533809
                3s
                   +0 :               0.00008945295378
                2p
                   -1 :              -0.00017212871423
                   +0 :              -0.00010824981238
                   +1 :              -0.00007113931913
                3p
                   -1 :               0.00002236307974
                   +0 :               0.00004280991661
                   +1 :               0.00005245958584
                3d
                   -2 :               0.00000259633266
                   -1 :              -0.00000152150769
                   +0 :               0.00000070676613
                   +1 :               0.00000149707708
                   +2 :               0.00000411388589
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al(  1)  npairs=  13
              1 vec=     0.209805      3.115717      6.601980   |vec|=    7.303276
                2s
                   +0 :              -0.00063201559072
                2p
                   -1 :              -0.00077150101476
                   +0 :              -0.00061760199709
                   +1 :              -0.00012606522523
                3s
                   +0 :               0.00402336571226
                4s
                   +0 :              -0.00301313727917
                3p
                   -1 :               0.00816479955555
                   +0 :               0.00192443421797
                   +1 :              -0.00037087013136
                4p
                   -1 :              -0.00171402759186
                   +0 :              -0.00192346560363
                   +1 :               0.00006974792170
                3d
                   -2 :               0.00111504917217
                   -1 :              -0.00127231182229
                   +0 :              -0.00037926058061
                   +1 :               0.00017595185936
                   +2 :               0.00129677663896
              2 vec=     0.209805     -5.868041      6.601980   |vec|=    8.835387
                2s
                   +0 :               0.00236230029159
                2p
                   -1 :               0.00026187573996
                   +0 :               0.00042687820816
                   +1 :               0.00008895670995
                3s
                   +0 :              -0.01932901172393
                4s
                   +0 :               0.00249146705726
                3p
                   -1 :               0.00559273708476
                   +0 :              -0.00958019232514
                   +1 :              -0.00100693287040
                4p
                   -1 :               0.00061556119114
                   +0 :               0.00063532355987
                   +1 :               0.00030633867273
                3d
                   -2 :              -0.00024323819544
                   -1 :               0.00240199155730
                   +0 :              -0.00037058718300
                   +1 :              -0.00025321644837
                   +2 :               0.00248049892219
              3 vec=    -7.570358     -1.376162      6.601980   |vec|=   10.138554
                2s
                   +0 :               0.00138732338945
                2p
                   -1 :              -0.00002423760221
                   +0 :               0.00073597147072
                   +1 :              -0.00086076976816
                3s
                   +0 :              -0.00613758849614
                4s
                   +0 :               0.00271744151633
                3p
                   -1 :              -0.00002169003944
                   +0 :              -0.00550790693140
                   +1 :               0.00523229080603
                4p
                   -1 :              -0.00033106966367
                   +0 :               0.00144833329880
                   +1 :              -0.00160607352711
                3d
                   -2 :               0.00001599103660
                   -1 :               0.00023209812541
                   +0 :               0.00027203194266
                   +1 :               0.00097733211760
                   +2 :              -0.00088667339186
              4 vec=     7.989968     -1.376162      6.601980   |vec|=   10.455599
                2s
                   +0 :               0.00018092594897
                2p
                   -1 :               0.00006988779696
                   +0 :               0.00008041391002
                   +1 :               0.00012477910705
                3s
                   +0 :              -0.00018302976189
                4s
                   +0 :               0.00017834163719
                3p
                   -1 :              -0.00101331462843
                   +0 :              -0.00150022358186
                   +1 :              -0.00104492688925
                4p
                   -1 :               0.00008905813751
                   +0 :               0.00023435573430
                   +1 :               0.00034904903546
                3d
                   -2 :              -0.00032273985456
                   -1 :              -0.00062734033556
                   +0 :               0.00060070421265
                   +1 :              -0.00043005656695
                   +2 :              -0.00024086911376
              5 vec=    -7.570358      7.607596      6.601980   |vec|=   12.600475
                2s
                   +0 :               0.00016127715282
                2p
                   -1 :               0.00026604632684
                   +0 :               0.00002208103958
                   +1 :              -0.00015749079114
                3s
                   +0 :               0.00021239064269
                4s
                   +0 :               0.00006315584814
                3p
                   -1 :              -0.00113333281322
                   +0 :               0.00024429680992
                   +1 :               0.00036755928710
                4p
                   -1 :               0.00028190657118
                   +0 :               0.00005964483648
                   +1 :              -0.00016651337317
                3d
                   -2 :              -0.00007608597286
                   -1 :              -0.00012678467461
                   +0 :              -0.00008298203700
                   +1 :               0.00014780788805
                   +2 :               0.00012219653426
              6 vec=     7.989968      7.607596      6.601980   |vec|=   12.856953
                2s
                   +0 :              -0.00003129833834
                2p
                   -1 :               0.00010867547838
                   +0 :               0.00014710454593
                   +1 :               0.00013903623928
                3s
                   +0 :               0.00110296094684
                4s
                   +0 :               0.00006287451528
                3p
                   -1 :              -0.00028764676313
                   +0 :              -0.00003459896886
                   +1 :              -0.00051135837252
                4p
                   -1 :               0.00005883808747
                   +0 :               0.00011817141854
                   +1 :               0.00020088349375
                3d
                   -2 :               0.00008815259238
                   -1 :              -0.00007116730358
                   +0 :              -0.00023131979399
                   +1 :              -0.00017725779869
                   +2 :              -0.00000704774892
              7 vec=     0.209805     12.099475      6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00011998197479
                2p
                   -1 :               0.00008886978365
                   +0 :              -0.00034435155033
                   +1 :              -0.00022833013235
                3s
                   +0 :              -0.00034054151675
                4s
                   +0 :               0.00015790839753
                3p
                   -1 :              -0.00068106824590
                   +0 :               0.00295791322780
                   +1 :               0.00093397047564
                4p
                   -1 :               0.00016558873694
                   +0 :              -0.00051214412677
                   +1 :              -0.00018842509191
                3d
                   -2 :               0.00004766839491
                   -1 :              -0.00013847729236
                   +0 :              -0.00039859313228
                   +1 :              -0.00010987120322
                   +2 :               0.00048853398359
              8 vec=    -7.570358    -10.359920      6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00018482329942
                2p
                   -1 :              -0.00011889055440
                   +0 :               0.00009540213957
                   +1 :               0.00007131661657
                3s
                   +0 :              -0.00097370605740
                4s
                   +0 :               0.00029405157156
                3p
                   -1 :               0.00076790923364
                   +0 :              -0.00061761403138
                   +1 :              -0.00027988133210
                4p
                   -1 :              -0.00016229716418
                   +0 :               0.00011479663852
                   +1 :               0.00010102579461
                3d
                   -2 :               0.00009526387885
                   -1 :               0.00017494745216
                   +0 :               0.00001009900342
                   +1 :              -0.00007651752936
                   +2 :               0.00003077974762
              9 vec=     7.989968    -10.359920      6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00005311972541
                2p
                   -1 :               0.00001448434411
                   +0 :              -0.00001241428741
                   +1 :              -0.00000363526168
                3s
                   +0 :               0.00004395131285
                4s
                   +0 :               0.00011880449047
                3p
                   -1 :              -0.00012516169840
                   +0 :               0.00001452537121
                   +1 :              -0.00023181148752
                4p
                   -1 :              -0.00000762323429
                   +0 :               0.00005045295937
                   +1 :               0.00010570312966
                3d
                   -2 :              -0.00002772446214
                   -1 :              -0.00008717563257
                   +0 :               0.00006285386152
                   +1 :               0.00000320314889
                   +2 :              -0.00003053949178
             10 vec=     0.209805    -14.851799      6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00044292728258
                2p
                   -1 :              -0.00014182794782
                   +0 :               0.00016408658286
                   +1 :               0.00001396744498
                3s
                   +0 :              -0.00182216585043
                4s
                   +0 :               0.00051922718201
                3p
                   -1 :               0.00071574009822
                   +0 :              -0.00097284264699
                   +1 :              -0.00011432387699
                4p
                   -1 :              -0.00010389519477
                   +0 :               0.00024408770507
                   +1 :               0.00005844651955
                3d
                   -2 :               0.00000434866521
                   -1 :               0.00021811430978
                   +0 :              -0.00014406787652
                   +1 :              -0.00000571463766
                   +2 :               0.00006266586576
             11 vec=   -15.350520      3.115717      6.601980   |vec|=   16.998009
                2s
                   +0 :              -0.00007334165881
                2p
                   -1 :              -0.00003422263974
                   +0 :              -0.00002189018315
                   +1 :               0.00002055663770
                3s
                   +0 :               0.00061477234018
                4s
                   +0 :              -0.00010787187663
                3p
                   -1 :               0.00027852736565
                   +0 :               0.00028756367395
                   +1 :              -0.00021101690479
                4p
                   -1 :              -0.00004196408192
                   +0 :              -0.00002036290088
                   +1 :               0.00004034465238
                3d
                   -2 :              -0.00007240169941
                   -1 :               0.00004839833725
                   +0 :               0.00001053084685
                   +1 :              -0.00004165573445
                   +2 :              -0.00004829843400
             12 vec=    15.770130      3.115717      6.601980   |vec|=   17.377884
                2s
                   +0 :              -0.00016169659223
                2p
                   -1 :              -0.00004519507281
                   +0 :              -0.00004523689243
                   +1 :              -0.00003159784742
                3s
                   +0 :               0.00102662087775
                4s
                   +0 :              -0.00021577119784
                3p
                   -1 :               0.00033263338139
                   +0 :               0.00040838765293
                   +1 :               0.00029434442839
                4p
                   -1 :              -0.00006122463429
                   +0 :              -0.00004972040041
                   +1 :              -0.00005022801480
                3d
                   -2 :               0.00006870967285
                   -1 :               0.00007983591961
                   +0 :               0.00003598228919
                   +1 :               0.00008531426986
                   +2 :              -0.00003015361743
             13 vec=   -15.350520     -5.868041      6.601980   |vec|=   17.710407
                2s
                   +0 :               0.00003580042866
                2p
                   -1 :              -0.00002392809649
                   +0 :              -0.00001909762263
                   +1 :              -0.00001127981709
                3s
                   +0 :              -0.00010595053100
                4s
                   +0 :               0.00004673204332
                3p
                   -1 :               0.00015169346407
                   +0 :               0.00002891515061
                   +1 :               0.00005060179061
                4p
                   -1 :              -0.00005734119341
                   +0 :               0.00000668221398
                   +1 :              -0.00000269131443
                3d
                   -2 :              -0.00000410812060
                   -1 :              -0.00003180653281
                   +0 :               0.00000833842727
                   +1 :              -0.00003121550197
                   +2 :              -0.00000738107059
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al(  2)  npairs=  15
              1 vec=     0.209805      3.115717    -10.693237   |vec|=   11.139884
                2s
                   +0 :               0.00066154729593
                2p
                   -1 :              -0.00003840864289
                   +0 :              -0.00021963814997
                   +1 :              -0.00022469573200
                3s
                   +0 :              -0.00216500908010
                4s
                   +0 :               0.00049700850532
                3p
                   -1 :              -0.00159719237779
                   +0 :               0.00122172659083
                   +1 :               0.00099078689702
                4p
                   -1 :               0.00008440880282
                   +0 :              -0.00024529959667
                   +1 :              -0.00018597330509
                3d
                   -2 :              -0.00005949969947
                   -1 :               0.00058607111868
                   +0 :               0.00023731742040
                   +1 :              -0.00020899190645
                   +2 :               0.00011101790163
              2 vec=     0.209805     -5.868041    -10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00018639901511
                2p
                   -1 :               0.00000933187611
                   +0 :               0.00003314226127
                   +1 :               0.00016095051750
                3s
                   +0 :              -0.00181861921429
                4s
                   +0 :               0.00034510867034
                3p
                   -1 :               0.00008722871615
                   +0 :              -0.00024250037568
                   +1 :              -0.00052224297335
                4p
                   -1 :               0.00001091342666
                   +0 :              -0.00000535720476
                   +1 :               0.00029043618343
                3d
                   -2 :              -0.00011373961606
                   -1 :               0.00019779197071
                   +0 :               0.00052738546651
                   +1 :               0.00003959370948
                   +2 :              -0.00046023776949
              3 vec=    -7.570358     -1.376162    -10.693237   |vec|=   13.173817
                2s
                   +0 :               0.00016594643527
                2p
                   -1 :               0.00004757352684
                   +0 :              -0.00011738133224
                   +1 :              -0.00024302667521
                3s
                   +0 :               0.00035319166372
                4s
                   +0 :               0.00004403295336
                3p
                   -1 :              -0.00076586052310
                   +0 :              -0.00022700920530
                   +1 :               0.00041541227654
                4p
                   -1 :               0.00017931879265
                   +0 :              -0.00005672237999
                   +1 :              -0.00016947505780
                3d
                   -2 :               0.00020601132603
                   -1 :               0.00017024854763
                   +0 :              -0.00004671635129
                   +1 :               0.00003757344855
                   +2 :              -0.00002412670611
              4 vec=     7.989968     -1.376162    -10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00014260697880
                2p
                   -1 :              -0.00016020586935
                   +0 :              -0.00001495817748
                   +1 :               0.00001128006363
                3s
                   +0 :               0.00123840395243
                4s
                   +0 :              -0.00017112126969
                3p
                   -1 :               0.00039714284184
                   +0 :              -0.00053202789742
                   +1 :               0.00071391099475
                4p
                   -1 :              -0.00014964226477
                   +0 :              -0.00007535784752
                   +1 :              -0.00010368679076
                3d
                   -2 :              -0.00012770008172
                   -1 :              -0.00012516840010
                   +0 :              -0.00018856864816
                   +1 :              -0.00024083688730
                   +2 :               0.00023556271401
              5 vec=     0.209805      3.115717     13.854306   |vec|=   14.201883
                2s
                   +0 :               0.00010452458001
                2p
                   -1 :               0.00012632502111
                   +0 :               0.00001919981958
                   +1 :              -0.00006143839250
                3s
                   +0 :              -0.00016361296353
                4s
                   +0 :               0.00001286402852
                3p
                   -1 :              -0.00022483019934
                   +0 :              -0.00004759320221
                   +1 :               0.00041039074993
                4p
                   -1 :               0.00008983283982
                   +0 :              -0.00002201177112
                   +1 :              -0.00017492667119
                3d
                   -2 :               0.00006944324132
                   -1 :               0.00009403494871
                   +0 :              -0.00000424138029
                   +1 :              -0.00005433369697
                   +2 :               0.00005464984193
              6 vec=     0.209805     -5.868041     13.854306   |vec|=   15.047249
                2s
                   +0 :              -0.00011156755279
                2p
                   -1 :               0.00002131106060
                   +0 :               0.00001869096376
                   +1 :               0.00001479186473
                3s
                   +0 :               0.00058992266103
                4s
                   +0 :              -0.00001891837684
                3p
                   -1 :              -0.00036394271310
                   +0 :              -0.00007868904678
                   +1 :               0.00005461726758
                4p
                   -1 :              -0.00001896393260
                   +0 :               0.00004050583297
                   +1 :              -0.00001958824325
                3d
                   -2 :              -0.00003543670459
                   -1 :               0.00003912550996
                   +0 :              -0.00005556037887
                   +1 :               0.00002291821426
                   +2 :              -0.00010649133359
              7 vec=    -7.570358      7.607596    -10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00002545702086
                2p
                   -1 :               0.00000901697426
                   +0 :              -0.00007296399543
                   +1 :              -0.00002370157735
                3s
                   +0 :               0.00011501681996
                4s
                   +0 :               0.00008582934890
                3p
                   -1 :               0.00008313480897
                   +0 :               0.00043512891326
                   +1 :               0.00031235788420
                4p
                   -1 :               0.00002274557956
                   +0 :              -0.00009840825537
                   +1 :              -0.00009082549419
                3d
                   -2 :               0.00010373900529
                   -1 :               0.00002267838786
                   +0 :              -0.00012001825871
                   +1 :              -0.00013946470164
                   +2 :              -0.00009616889259
              8 vec=     7.989968      7.607596    -10.693237   |vec|=   15.364258
                2s
                   +0 :              -0.00021018270990
                2p
                   -1 :              -0.00002134046209
                   +0 :               0.00001872805546
                   +1 :              -0.00000259505486
                3s
                   +0 :               0.00101212019611
                4s
                   +0 :              -0.00013151978823
                3p
                   -1 :               0.00001268328309
                   +0 :              -0.00004938899606
                   +1 :              -0.00008446168922
                4p
                   -1 :               0.00004222711154
                   +0 :              -0.00002030492161
                   +1 :               0.00009270567835
                3d
                   -2 :              -0.00014055452445
                   -1 :               0.00003475779375
                   +0 :              -0.00005023250129
                   +1 :               0.00002509688752
                   +2 :              -0.00004778380682
              9 vec=    -7.570358     -1.376162     13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00011341079445
                2p
                   -1 :              -0.00003204535762
                   +0 :              -0.00011937705873
                   +1 :               0.00003813357990
                3s
                   +0 :               0.00065498103392
                4s
                   +0 :              -0.00021180049796
                3p
                   -1 :               0.00013114293066
                   +0 :               0.00098800340364
                   +1 :              -0.00013765164819
                4p
                   -1 :              -0.00008912483769
                   +0 :              -0.00029238376362
                   +1 :               0.00004253391367
                3d
                   -2 :               0.00011081044402
                   -1 :              -0.00003605825329
                   +0 :               0.00023861918242
                   +1 :              -0.00005236177160
                   +2 :              -0.00006021442130
             10 vec=     7.989968     -1.376162     13.854306   |vec|=   16.052264
                2s
                   +0 :              -0.00014195834679
                2p
                   -1 :               0.00004190428935
                   +0 :              -0.00007294278172
                   +1 :              -0.00001493999410
                3s
                   +0 :               0.00048258752611
                4s
                   +0 :              -0.00020789750804
                3p
                   -1 :              -0.00035253486454
                   +0 :               0.00060110316556
                   +1 :              -0.00013901588843
                4p
                   -1 :               0.00005089838547
                   +0 :              -0.00015099422146
                   +1 :               0.00003514810770
                3d
                   -2 :              -0.00006745125537
                   -1 :               0.00000540217407
                   +0 :               0.00020237900007
                   +1 :               0.00005546008978
                   +2 :               0.00000848788437
             11 vec=     0.209805     12.099475    -10.693237   |vec|=   16.148889
                2s
                   +0 :               0.00024475139679
                2p
                   -1 :               0.00012373951348
                   +0 :              -0.00013092446265
                   +1 :               0.00002048098194
                3s
                   +0 :              -0.00054331465413
                4s
                   +0 :               0.00026020389406
                3p
                   -1 :              -0.00051251350546
                   +0 :               0.00064382416513
                   +1 :              -0.00007999812936
                4p
                   -1 :               0.00010200731842
                   +0 :              -0.00018390937220
                   +1 :               0.00001365021526
                3d
                   -2 :              -0.00002490680372
                   -1 :               0.00013529250327
                   +0 :              -0.00003330363373
                   +1 :              -0.00001143398698
                   +2 :               0.00000955172267
             12 vec=    -7.570358    -10.359920    -10.693237   |vec|=   16.702801
                2s
                   +0 :               0.00003380776584
                2p
                   -1 :               0.00000072626754
                   +0 :               0.00002050965230
                   +1 :               0.00002853259915
                3s
                   +0 :              -0.00055797819723
                4s
                   +0 :               0.00001832704949
                3p
                   -1 :               0.00002788081409
                   +0 :               0.00006832207724
                   +1 :              -0.00003673726420
                4p
                   -1 :               0.00000081338092
                   +0 :               0.00004371792276
                   +1 :               0.00004348745523
                3d
                   -2 :              -0.00004697729934
                   -1 :              -0.00002832753974
                   +0 :              -0.00001449330015
                   +1 :               0.00000026208268
                   +2 :              -0.00002932094170
             13 vec=     7.989968    -10.359920    -10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00016916445201
                2p
                   -1 :              -0.00002373241940
                   +0 :              -0.00004914572244
                   +1 :               0.00005225623644
                3s
                   +0 :              -0.00084730991901
                4s
                   +0 :               0.00015537119584
                3p
                   -1 :               0.00006209133278
                   +0 :               0.00035949443618
                   +1 :              -0.00029579733346
                4p
                   -1 :              -0.00000279349306
                   +0 :              -0.00003777315541
                   +1 :               0.00003646831893
                3d
                   -2 :               0.00003350177413
                   -1 :              -0.00002742723357
                   +0 :              -0.00008117744079
                   +1 :               0.00006637750251
                   +2 :               0.00000652585602
             14 vec=    -7.570358      7.607596     13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00011210385945
                2p
                   -1 :               0.00001964364207
                   +0 :              -0.00001838563771
                   +1 :               0.00006573077081
                3s
                   +0 :               0.00053269112892
                4s
                   +0 :              -0.00007881573508
                3p
                   -1 :               0.00007874551343
                   +0 :               0.00013141265158
                   +1 :              -0.00040992091341
                4p
                   -1 :               0.00007454163719
                   +0 :              -0.00001453681879
                   +1 :               0.00012028457917
                3d
                   -2 :              -0.00010797310301
                   -1 :               0.00003307751905
                   +0 :              -0.00002562729701
                   +1 :              -0.00002943613211
                   +2 :               0.00005980766515
             15 vec=     7.989968      7.607596     13.854306   |vec|=   17.710361
                2s
                   +0 :               0.00011778103296
                2p
                   -1 :               0.00005749262856
                   +0 :              -0.00000656311338
                   +1 :               0.00003944160557
                3s
                   +0 :              -0.00061649870980
                4s
                   +0 :               0.00005633847880
                3p
                   -1 :              -0.00027482264417
                   +0 :               0.00004220746788
                   +1 :              -0.00037786489264
                4p
                   -1 :               0.00010229082052
                   +0 :              -0.00001132421045
                   +1 :              -0.00001022523056
                3d
                   -2 :              -0.00010832725160
                   -1 :               0.00000888978817
                   +0 :               0.00004812681957
                   +1 :              -0.00001717595900
                   +2 :              -0.00012186116694
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Cr(  3)  npairs=  14
              1 vec=     0.209805      3.115717      1.580534   |vec|=    3.499971
                3s
                   +0 :              -0.08953421871542
                3p
                   -1 :              -0.10160655137706
                   +0 :              -0.06836894574072
                   +1 :              -0.00896077217217
                4s
                   +0 :              -0.02748515043237
                5s
                   +0 :              -0.00941573691128
                3d
                   -2 :              -0.00636330033495
                   -1 :              -0.06207526965463
                   +0 :              -0.00708780078613
                   +1 :              -0.00766696903644
                   +2 :               0.03321850580575
                4d
                   -2 :              -0.00308770282510
                   -1 :              -0.00634417185252
                   +0 :              -0.00300979524396
                   +1 :               0.00133493428161
                   +2 :               0.00186079574634
                4p
                   -1 :              -0.02893267232977
                   +0 :              -0.01826542404014
                   +1 :              -0.00398190953268
              2 vec=     0.209805     -5.868041      1.580534   |vec|=    6.080790
                3s
                   +0 :              -0.00812203642757
                3p
                   -1 :               0.00417134559679
                   +0 :              -0.00184188871627
                   +1 :               0.00002541123832
                4s
                   +0 :               0.01308473638154
                5s
                   +0 :              -0.00264366416373
                3d
                   -2 :               0.00105662747581
                   -1 :              -0.00165726089848
                   +0 :              -0.00276772728693
                   +1 :               0.00098984891986
                   +2 :              -0.00633718788284
                4d
                   -2 :               0.00159426849331
                   -1 :              -0.00377569470789
                   +0 :              -0.00248524102033
                   +1 :              -0.00072747485361
                   +2 :              -0.00479315767450
                4p
                   -1 :              -0.00747164556496
                   +0 :               0.00459598600144
                   +1 :              -0.00207225921650
              3 vec=    -7.570358     -1.376162      1.580534   |vec|=    7.855076
                3s
                   +0 :              -0.00004784858692
                3p
                   -1 :              -0.00063026087996
                   +0 :               0.00096961824109
                   +1 :               0.00005509694265
                4s
                   +0 :              -0.00213078042343
                5s
                   +0 :               0.00026766568779
                3d
                   -2 :               0.00270958065605
                   -1 :              -0.00161399991939
                   +0 :               0.00001376985819
                   +1 :              -0.00047221418346
                   +2 :              -0.00161763605948
                4d
                   -2 :              -0.00101367813932
                   -1 :               0.00065680539998
                   +0 :               0.00013051516694
                   +1 :               0.00182228854711
                   +2 :              -0.00099310432729
                4p
                   -1 :               0.00081818230941
                   +0 :              -0.00232850125030
                   +1 :               0.00225929996628
              4 vec=     7.989968     -1.376162      1.580534   |vec|=    8.260236
                3s
                   +0 :              -0.00072121094086
                3p
                   -1 :               0.00040506480076
                   +0 :              -0.00057922047292
                   +1 :              -0.00042071382838
                4s
                   +0 :               0.00015938951282
                5s
                   +0 :              -0.00031729290517
                3d
                   -2 :              -0.00057902333872
                   -1 :               0.00051612210157
                   +0 :              -0.00043784028866
                   +1 :              -0.00124792628518
                   +2 :              -0.00062387545866
                4d
                   -2 :              -0.00009052096943
                   -1 :              -0.00026480473320
                   +0 :               0.00036079028728
                   +1 :               0.00007407828758
                   +2 :              -0.00072268944908
                4p
                   -1 :              -0.00015330982965
                   +0 :               0.00058078792798
                   +1 :              -0.00054985293100
              5 vec=    -7.570358      7.607596      1.580534   |vec|=   10.848222
                3s
                   +0 :               0.00047111738188
                3p
                   -1 :               0.00088326098175
                   +0 :              -0.00015450064034
                   +1 :               0.00015884359259
                4s
                   +0 :              -0.00163019919513
                5s
                   +0 :               0.00009657462880
                3d
                   -2 :               0.00005102020557
                   -1 :               0.00090508458750
                   +0 :               0.00060506754361
                   +1 :               0.00056998204088
                   +2 :              -0.00114586614438
                4d
                   -2 :               0.00084327946052
                   -1 :              -0.00057813954880
                   +0 :              -0.00009427861637
                   +1 :               0.00016937780911
                   +2 :               0.00073456669258
                4p
                   -1 :              -0.00105092167037
                   +0 :              -0.00033287288569
                   +1 :               0.00064644959226
              6 vec=     7.989968      7.607596      1.580534   |vec|=   11.145097
                3s
                   +0 :              -0.00029390202556
                3p
                   -1 :              -0.00041388548155
                   +0 :               0.00016426507699
                   +1 :              -0.00008137147241
                4s
                   +0 :              -0.00071431740480
                5s
                   +0 :               0.00030749622825
                3d
                   -2 :              -0.00089528159992
                   -1 :               0.00003207792355
                   +0 :               0.00054835367661
                   +1 :              -0.00012830211712
                   +2 :              -0.00007935411192
                4d
                   -2 :               0.00013053911994
                   -1 :               0.00024069786554
                   +0 :               0.00002307074051
                   +1 :              -0.00070601546356
                   +2 :              -0.00104073511764
                4p
                   -1 :               0.00072090679349
                   +0 :              -0.00079208586000
                   +1 :              -0.00078718782357
              7 vec=     0.209805     12.099475      1.580534   |vec|=   12.204073
                3s
                   +0 :               0.00001829276509
                3p
                   -1 :              -0.00009911812598
                   +0 :              -0.00035382440320
                   +1 :               0.00007483828062
                4s
                   +0 :              -0.00008492351637
                5s
                   +0 :               0.00003797115040
                3d
                   -2 :               0.00029066541906
                   -1 :              -0.00044007855037
                   +0 :              -0.00014659141658
                   +1 :               0.00017304355639
                   +2 :               0.00059584933293
                4d
                   -2 :              -0.00011437950375
                   -1 :               0.00014932729775
                   +0 :               0.00010181284563
                   +1 :               0.00004148666171
                   +2 :               0.00001969641073
                4p
                   -1 :              -0.00031703226651
                   +0 :               0.00035599765338
                   +1 :              -0.00005465695767
              8 vec=    -7.570358    -10.359920      1.580534   |vec|=   12.928122
                3s
                   +0 :               0.00017719610877
                3p
                   -1 :              -0.00006252183590
                   +0 :               0.00034604352967
                   +1 :              -0.00051719050237
                4s
                   +0 :               0.00109270758592
                5s
                   +0 :               0.00000704822483
                3d
                   -2 :              -0.00005284709228
                   -1 :              -0.00028891758864
                   +0 :               0.00015765042956
                   +1 :              -0.00165084734909
                   +2 :               0.00158270945502
                4d
                   -2 :              -0.00007502841819
                   -1 :              -0.00006168191152
                   +0 :               0.00011816316508
                   +1 :              -0.00028936203545
                   +2 :               0.00020922469435
                4p
                   -1 :               0.00019235607028
                   +0 :               0.00052934834961
                   +1 :              -0.00052621444470
              9 vec=     7.989968    -10.359920      1.580534   |vec|=   13.178225
                3s
                   +0 :               0.00020414526437
                3p
                   -1 :              -0.00001465236300
                   +0 :               0.00030603868726
                   +1 :               0.00038581169837
                4s
                   +0 :               0.00125304690990
                5s
                   +0 :              -0.00002475410635
                3d
                   -2 :              -0.00030019064181
                   -1 :              -0.00043336588410
                   +0 :               0.00042623084816
                   +1 :               0.00154512933790
                   +2 :               0.00116216552761
                4d
                   -2 :              -0.00025758697717
                   -1 :              -0.00038033449948
                   +0 :               0.00005192188611
                   +1 :               0.00035308989113
                   +2 :               0.00016346334929
                4p
                   -1 :              -0.00035241264274
                   +0 :               0.00063328646263
                   +1 :               0.00066516873432
             10 vec=     0.209805    -14.851799      1.580534   |vec|=   14.937136
                3s
                   +0 :              -0.00020523689866
                3p
                   -1 :               0.00000306090309
                   +0 :               0.00018057032236
                   +1 :               0.00008570501976
                4s
                   +0 :               0.00076764650629
                5s
                   +0 :               0.00000197284392
                3d
                   -2 :              -0.00026640997977
                   -1 :              -0.00036275914557
                   +0 :               0.00014056802221
                   +1 :               0.00018637954706
                   +2 :               0.00022186863557
                4d
                   -2 :               0.00008209613370
                   -1 :               0.00013101267988
                   +0 :              -0.00001716809823
                   +1 :              -0.00000634773017
                   +2 :              -0.00000465309382
                4p
                   -1 :              -0.00012616079982
                   +0 :              -0.00010410888623
                   +1 :              -0.00011604437946
             11 vec=   -15.350520      3.115717      1.580534   |vec|=   15.743070
                3s
                   +0 :              -0.00007050136325
                3p
                   -1 :               0.00008613252104
                   +0 :              -0.00002084804845
                   +1 :               0.00010457084990
                4s
                   +0 :              -0.00005484239700
                5s
                   +0 :              -0.00000797000347
                3d
                   -2 :              -0.00008075792122
                   -1 :               0.00019753799323
                   +0 :              -0.00006834113793
                   +1 :               0.00006800082620
                   +2 :              -0.00004048022136
                4d
                   -2 :               0.00008057360841
                   -1 :               0.00003138729756
                   +0 :              -0.00002146902229
                   +1 :              -0.00007498523573
                   +2 :               0.00004557534034
                4p
                   -1 :              -0.00012190134533
                   +0 :               0.00005794666895
                   +1 :              -0.00013610387777
             12 vec=    15.770130      3.115717      1.580534   |vec|=   16.152486
                3s
                   +0 :               0.00009131422437
                3p
                   -1 :               0.00000682930762
                   +0 :              -0.00002114930769
                   +1 :              -0.00002854630422
                4s
                   +0 :              -0.00052282719497
                5s
                   +0 :               0.00004197000019
                3d
                   -2 :               0.00008645929312
                   -1 :               0.00021946902166
                   +0 :              -0.00002291938376
                   +1 :              -0.00004211263317
                   +2 :               0.00003671609474
                4d
                   -2 :               0.00000650415267
                   -1 :               0.00004484698543
                   +0 :              -0.00002271847604
                   +1 :               0.00001060741080
                   +2 :              -0.00001891159873
                4p
                   -1 :               0.00009700613525
                   +0 :               0.00000734075798
                   +1 :              -0.00004790382966
             13 vec=   -15.350520     -5.868041      1.580534   |vec|=   16.509708
                3s
                   +0 :               0.00004633245017
                3p
                   -1 :              -0.00000482330591
                   +0 :               0.00002522491235
                   +1 :              -0.00009318246701
                4s
                   +0 :               0.00013878958541
                5s
                   +0 :              -0.00000618442194
                3d
                   -2 :               0.00027551026303
                   -1 :              -0.00028631196291
                   +0 :               0.00008251102603
                   +1 :              -0.00031268829244
                   +2 :               0.00004161985573
                4d
                   -2 :              -0.00000194244872
                   -1 :              -0.00007682380391
                   +0 :               0.00000894561759
                   +1 :              -0.00002030091845
                   +2 :               0.00000028204487
                4p
                   -1 :              -0.00009766930273
                   +0 :               0.00009711191151
                   +1 :               0.00002974809812
             14 vec=    15.770130     -5.868041      1.580534   |vec|=   16.900562
                3s
                   +0 :               0.00000333515410
                3p
                   -1 :               0.00000825495995
                   +0 :               0.00002385974035
                   +1 :               0.00003060531890
                4s
                   +0 :               0.00003744928541
                5s
                   +0 :              -0.00000605963611
                3d
                   -2 :              -0.00015792190286
                   -1 :              -0.00018681051202
                   +0 :               0.00000560170347
                   +1 :               0.00011954552259
                   +2 :              -0.00005347373247
                4d
                   -2 :              -0.00001372335210
                   -1 :              -0.00002882821112
                   +0 :              -0.00000665358961
                   +1 :              -0.00000975597433
                   +2 :              -0.00002780296106
                4p
                   -1 :              -0.00007444243889
                   +0 :               0.00001663089127
                   +1 :              -0.00003543924736
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al(  4)  npairs=  14
              1 vec=     0.209805      3.115717     -5.671791   |vec|=    6.474637
                2s
                   +0 :              -0.00245786914177
                2p
                   -1 :              -0.00070800226373
                   +0 :               0.00198013417633
                   +1 :              -0.00043942932276
                3s
                   +0 :               0.00688874548778
                4s
                   +0 :              -0.00433493252085
                3p
                   -1 :               0.00313962780417
                   +0 :              -0.01312945695714
                   +1 :               0.00126305483941
                4p
                   -1 :              -0.00097861345236
                   +0 :               0.00515308895267
                   +1 :              -0.00011705420494
                3d
                   -2 :               0.00061424328633
                   -1 :              -0.00182945398002
                   +0 :               0.00359394967016
                   +1 :               0.00013581563121
                   +2 :              -0.00164944854359
              2 vec=     0.209805     -5.868041     -5.671791   |vec|=    8.163770
                2s
                   +0 :              -0.00002740921578
                2p
                   -1 :               0.00026309998716
                   +0 :              -0.00034586586670
                   +1 :               0.00000039418030
                3s
                   +0 :              -0.01083098032147
                4s
                   +0 :               0.00008691251208
                3p
                   -1 :               0.00594675379327
                   +0 :              -0.00008950947211
                   +1 :               0.00095635851980
                4p
                   -1 :               0.00071450264243
                   +0 :              -0.00065562999771
                   +1 :              -0.00017635646398
                3d
                   -2 :              -0.00105193187133
                   -1 :               0.00107237432470
                   +0 :               0.00286617661899
                   +1 :              -0.00028621903552
                   +2 :               0.00273603622085
              3 vec=    -7.570358     -1.376162     -5.671791   |vec|=    9.558941
                2s
                   +0 :               0.00069877516854
                2p
                   -1 :               0.00001202018898
                   +0 :              -0.00032929272231
                   +1 :              -0.00098132119872
                3s
                   +0 :              -0.00321665920574
                4s
                   +0 :               0.00104295891191
                3p
                   -1 :               0.00082308829782
                   +0 :               0.00109343133678
                   +1 :               0.00549517497264
                4p
                   -1 :              -0.00056379825950
                   +0 :              -0.00020334189791
                   +1 :              -0.00140925823764
                3d
                   -2 :               0.00010610245034
                   -1 :              -0.00027372164717
                   +0 :               0.00029402252286
                   +1 :              -0.00072227766909
                   +2 :              -0.00057135444233
              4 vec=     7.989968     -1.376162     -5.671791   |vec|=    9.894576
                2s
                   +0 :              -0.00002536371103
                2p
                   -1 :              -0.00063268750894
                   +0 :              -0.00040478926369
                   +1 :               0.00011595881568
                3s
                   +0 :              -0.00034519540612
                4s
                   +0 :               0.00031407854873
                3p
                   -1 :               0.00260111474777
                   +0 :               0.00216581450455
                   +1 :              -0.00109948489212
                4p
                   -1 :              -0.00062273320441
                   +0 :              -0.00071778854194
                   +1 :               0.00063644622807
                3d
                   -2 :               0.00012989545803
                   -1 :              -0.00003929733402
                   +0 :              -0.00025672780116
                   +1 :               0.00075051292449
                   +2 :              -0.00022167348143
              5 vec=    -7.570358      7.607596     -5.671791   |vec|=   12.138989
                2s
                   +0 :               0.00013782030749
                2p
                   -1 :              -0.00001871427476
                   +0 :               0.00005324576262
                   +1 :              -0.00025329406275
                3s
                   +0 :               0.00155301051829
                4s
                   +0 :               0.00003202486842
                3p
                   -1 :               0.00099806771543
                   +0 :              -0.00024906683133
                   +1 :               0.00055022390084
                4p
                   -1 :              -0.00016882601120
                   +0 :               0.00018622362045
                   +1 :              -0.00029476323786
                3d
                   -2 :              -0.00025273595577
                   -1 :              -0.00005679124174
                   +0 :              -0.00009253161804
                   +1 :              -0.00027757091318
                   +2 :              -0.00024553067179
              6 vec=     7.989968      7.607596     -5.671791   |vec|=   12.405012
                2s
                   +0 :              -0.00010635446498
                2p
                   -1 :               0.00014860426889
                   +0 :              -0.00001685477364
                   +1 :              -0.00007416923092
                3s
                   +0 :               0.00264696304669
                4s
                   +0 :              -0.00000763414481
                3p
                   -1 :              -0.00014727710173
                   +0 :               0.00021241443260
                   +1 :               0.00155972583243
                4p
                   -1 :               0.00023091256265
                   +0 :               0.00005217031791
                   +1 :              -0.00001765299447
                3d
                   -2 :               0.00029472360817
                   -1 :               0.00021247260055
                   +0 :              -0.00031067653639
                   +1 :               0.00018072446846
                   +2 :               0.00031009514830
              7 vec=     0.209805     12.099475     -5.671791   |vec|=   13.364525
                2s
                   +0 :               0.00027358509259
                2p
                   -1 :               0.00003565406291
                   +0 :              -0.00001033774346
                   +1 :               0.00006809167477
                3s
                   +0 :              -0.00027494754138
                4s
                   +0 :               0.00018197831149
                3p
                   -1 :              -0.00016494624608
                   +0 :               0.00002103210830
                   +1 :              -0.00030805703041
                4p
                   -1 :               0.00002524782598
                   +0 :               0.00003550462880
                   +1 :               0.00005150643310
                3d
                   -2 :              -0.00007596247747
                   -1 :              -0.00003168440361
                   +0 :               0.00002151042062
                   +1 :              -0.00005128732720
                   +2 :              -0.00007301437692
              8 vec=    -7.570358    -10.359920     -5.671791   |vec|=   14.028809
                2s
                   +0 :               0.00003457634804
                2p
                   -1 :               0.00006363372468
                   +0 :               0.00000494176536
                   +1 :               0.00011885252061
                3s
                   +0 :              -0.00084213051195
                4s
                   +0 :               0.00014794413951
                3p
                   -1 :               0.00003180239986
                   +0 :               0.00007807294451
                   +1 :              -0.00063669295128
                4p
                   -1 :               0.00001619442145
                   +0 :              -0.00005296425382
                   +1 :               0.00018660781641
                3d
                   -2 :               0.00017038942620
                   -1 :               0.00005194804972
                   +0 :              -0.00005397461018
                   +1 :               0.00020182531232
                   +2 :              -0.00000993441640
              9 vec=     7.989968    -10.359920     -5.671791   |vec|=   14.259619
                2s
                   +0 :               0.00020280288555
                2p
                   -1 :               0.00006706582381
                   +0 :               0.00004116183169
                   +1 :              -0.00002758367973
                3s
                   +0 :              -0.00102376248365
                4s
                   +0 :               0.00021391168610
                3p
                   -1 :              -0.00042339426940
                   +0 :              -0.00019360432664
                   +1 :              -0.00003532225111
                4p
                   -1 :               0.00008465274670
                   +0 :              -0.00000780232184
                   +1 :              -0.00000507538030
                3d
                   -2 :              -0.00014713564619
                   -1 :               0.00005598241932
                   +0 :              -0.00009060543781
                   +1 :              -0.00018804085121
                   +2 :              -0.00014585344865
             10 vec=     0.209805    -14.851799     -5.671791   |vec|=   15.899345
                2s
                   +0 :               0.00002370573941
                2p
                   -1 :               0.00004395404128
                   +0 :              -0.00001967737437
                   +1 :               0.00000291882393
                3s
                   +0 :              -0.00013617766136
                4s
                   +0 :              -0.00003683777162
                3p
                   -1 :              -0.00036712545731
                   +0 :               0.00018913821050
                   +1 :              -0.00004715647751
                4p
                   -1 :               0.00009417195093
                   +0 :              -0.00004952158345
                   +1 :               0.00002283244220
                3d
                   -2 :               0.00001249947999
                   -1 :               0.00002738440736
                   +0 :              -0.00008203439819
                   +1 :              -0.00001144754547
                   +2 :              -0.00010077765507
             11 vec=   -15.350520      3.115717     -5.671791   |vec|=   16.658793
                2s
                   +0 :              -0.00004412674006
                2p
                   -1 :              -0.00002012092843
                   +0 :               0.00004944069633
                   +1 :               0.00005426975570
                3s
                   +0 :               0.00039872059973
                4s
                   +0 :              -0.00004150842703
                3p
                   -1 :               0.00009139805416
                   +0 :              -0.00023763330527
                   +1 :              -0.00032196301225
                4p
                   -1 :              -0.00004047832589
                   +0 :               0.00005617001490
                   +1 :               0.00005030503266
                3d
                   -2 :              -0.00005442349204
                   -1 :              -0.00003978235328
                   +0 :               0.00000389707055
                   +1 :               0.00007287686268
                   +2 :               0.00005337663464
             12 vec=    15.770130      3.115717     -5.671791   |vec|=   17.046229
                2s
                   +0 :              -0.00007169090816
                2p
                   -1 :               0.00000625057531
                   +0 :               0.00000552348722
                   +1 :              -0.00002229964819
                3s
                   +0 :               0.00059594786007
                4s
                   +0 :              -0.00008935873202
                3p
                   -1 :              -0.00000840299768
                   +0 :              -0.00008096525546
                   +1 :               0.00019983128169
                4p
                   -1 :               0.00002322758621
                   +0 :               0.00002257759774
                   +1 :              -0.00002469320560
                3d
                   -2 :               0.00003817291592
                   -1 :              -0.00002936553593
                   +0 :               0.00001808276117
                   +1 :              -0.00002126595423
                   +2 :              -0.00001722392049
             13 vec=   -15.350520     -5.868041     -5.671791   |vec|=   17.385097
                2s
                   +0 :               0.00002213677659
                2p
                   -1 :              -0.00001154272213
                   +0 :              -0.00001745616727
                   +1 :              -0.00001296477036
                3s
                   +0 :              -0.00023321644092
                4s
                   +0 :               0.00008052285485
                3p
                   -1 :               0.00004606859812
                   +0 :               0.00010088401317
                   +1 :               0.00013121055072
                4p
                   -1 :              -0.00004290297021
                   +0 :              -0.00002602827010
                   +1 :              -0.00003620652460
                3d
                   -2 :               0.00000384689849
                   -1 :               0.00001458119196
                   +0 :              -0.00002835926740
                   +1 :              -0.00001776776279
                   +2 :               0.00000437114014
             14 vec=    15.770130     -5.868041     -5.671791   |vec|=   17.756693
                2s
                   +0 :               0.00000120843488
                2p
                   -1 :              -0.00001104959090
                   +0 :              -0.00001058556866
                   +1 :               0.00000078911817
                3s
                   +0 :              -0.00013234561991
                4s
                   +0 :               0.00006027282407
                3p
                   -1 :              -0.00000160348984
                   +0 :               0.00001940440676
                   +1 :              -0.00014803693073
                4p
                   -1 :              -0.00000227758584
                   +0 :               0.00000476257898
                   +1 :               0.00005025641262
                3d
                   -2 :              -0.00000616830164
                   -1 :              -0.00000329072990
                   +0 :               0.00000432245598
                   +1 :               0.00000483392125
                   +2 :              -0.00001500432828
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al(  5)  npairs=  13
              1 vec=    -2.383582     -1.376162     -9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00038338670704
                2p
                   -1 :               0.00000477326679
                   +0 :              -0.00011839820975
                   +1 :               0.00001809065847
                3s
                   +0 :              -0.00178827938124
                4s
                   +0 :               0.00058903025330
                3p
                   -1 :              -0.00087296548481
                   +0 :               0.00088130410731
                   +1 :              -0.00050842610475
                4p
                   -1 :               0.00011631807228
                   +0 :              -0.00037098117764
                   +1 :               0.00017002518983
                3d
                   -2 :              -0.00028983438211
                   -1 :               0.00006908780617
                   +0 :               0.00001738526091
                   +1 :              -0.00000299640207
                   +2 :              -0.00000718265050
              2 vec=     5.396580      3.115717     -9.763130   |vec|=   11.582292
                2s
                   +0 :              -0.00004314905425
                2p
                   -1 :               0.00032887464708
                   +0 :               0.00010962988591
                   +1 :               0.00006832856974
                3s
                   +0 :               0.00085244856550
                4s
                   +0 :              -0.00039814658342
                3p
                   -1 :              -0.00177465879887
                   +0 :              -0.00101932076079
                   +1 :              -0.00030801719975
                4p
                   -1 :               0.00048794397233
                   +0 :               0.00025150789885
                   +1 :               0.00006212136725
                3d
                   -2 :               0.00004390940090
                   -1 :               0.00033454601399
                   +0 :               0.00034305310882
                   +1 :              -0.00018242494950
                   +2 :              -0.00022875221075
              3 vec=    -2.383582      7.607596     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00021685960687
                2p
                   -1 :               0.00003187558220
                   +0 :               0.00001452025186
                   +1 :              -0.00016709290358
                3s
                   +0 :               0.00151870251908
                4s
                   +0 :              -0.00035497096312
                3p
                   -1 :               0.00025290627091
                   +0 :              -0.00020308725791
                   +1 :               0.00090091851626
                4p
                   -1 :               0.00001926276345
                   +0 :               0.00005222372508
                   +1 :              -0.00043173977668
                3d
                   -2 :              -0.00002980258303
                   -1 :               0.00011297462588
                   +0 :              -0.00012514495951
                   +1 :               0.00002594840804
                   +2 :               0.00000750214672
              4 vec=     5.396580     -5.868041     -9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00012424859542
                2p
                   -1 :               0.00006124793415
                   +0 :               0.00006408044932
                   +1 :              -0.00032489098616
                3s
                   +0 :              -0.00414442416066
                4s
                   +0 :               0.00030162055439
                3p
                   -1 :               0.00099908277509
                   +0 :               0.00055788294167
                   +1 :              -0.00145567846733
                4p
                   -1 :              -0.00002515886556
                   +0 :               0.00001379082786
                   +1 :              -0.00011268151072
                3d
                   -2 :               0.00035953328747
                   -1 :              -0.00011447893574
                   +0 :               0.00041300418192
                   +1 :               0.00008586759539
                   +2 :              -0.00052262132890
              5 vec=   -10.163745      3.115717     -9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00004206309983
                2p
                   -1 :               0.00014197142348
                   +0 :               0.00002322289857
                   +1 :               0.00006186379348
                3s
                   +0 :               0.00084807526525
                4s
                   +0 :               0.00003450879206
                3p
                   -1 :              -0.00122129750959
                   +0 :              -0.00029800380594
                   +1 :              -0.00057557638587
                4p
                   -1 :               0.00016997279357
                   +0 :               0.00009175855694
                   +1 :              -0.00003374985138
                3d
                   -2 :               0.00025634391411
                   -1 :               0.00018262572917
                   +0 :              -0.00007410018682
                   +1 :               0.00009147617908
                   +2 :               0.00014825109759
              6 vec=    -2.383582    -10.359920     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00022025255588
                2p
                   -1 :              -0.00007318188591
                   +0 :              -0.00007737316448
                   +1 :               0.00000765666173
                3s
                   +0 :              -0.00107586187070
                4s
                   +0 :               0.00025613840355
                3p
                   -1 :               0.00043597690061
                   +0 :               0.00054757083945
                   +1 :               0.00013989668050
                4p
                   -1 :              -0.00007551015436
                   +0 :              -0.00016967795368
                   +1 :               0.00003740773195
                3d
                   -2 :              -0.00001339056185
                   -1 :              -0.00010464169979
                   +0 :               0.00000169084871
                   +1 :              -0.00001934003263
                   +2 :               0.00001634155023
              7 vec=    -2.383582     -1.376162     14.784412   |vec|=   15.038422
                2s
                   +0 :              -0.00013187129450
                2p
                   -1 :              -0.00001170650121
                   +0 :              -0.00003560122472
                   +1 :              -0.00003124644759
                3s
                   +0 :               0.00043284359246
                4s
                   +0 :              -0.00019856999869
                3p
                   -1 :               0.00038202428088
                   +0 :               0.00000657835429
                   +1 :               0.00012126631995
                4p
                   -1 :              -0.00001632376358
                   +0 :              -0.00004479718404
                   +1 :              -0.00003136127684
                3d
                   -2 :              -0.00006675925062
                   -1 :               0.00008461251057
                   +0 :              -0.00005453175585
                   +1 :               0.00005197306668
                   +2 :              -0.00002309821708
              8 vec=   -10.163745     -5.868041     -9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00009972955786
                2p
                   -1 :               0.00004103431591
                   +0 :               0.00005209475999
                   +1 :               0.00003807470063
                3s
                   +0 :               0.00014408681619
                4s
                   +0 :              -0.00007164274243
                3p
                   -1 :              -0.00019210832385
                   +0 :              -0.00018664364386
                   +1 :              -0.00017912939752
                4p
                   -1 :               0.00009082328405
                   +0 :               0.00001850334614
                   +1 :               0.00001431753195
                3d
                   -2 :               0.00004665085460
                   -1 :               0.00005101839147
                   +0 :              -0.00000165426336
                   +1 :               0.00013060603205
                   +2 :              -0.00000054827189
              9 vec=     5.396580      3.115717     14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00004748240416
                2p
                   -1 :              -0.00005644121608
                   +0 :               0.00002194893298
                   +1 :               0.00005138838348
                3s
                   +0 :               0.00034001315091
                4s
                   +0 :              -0.00007365480905
                3p
                   -1 :               0.00024401062906
                   +0 :               0.00019976074030
                   +1 :              -0.00038203191589
                4p
                   -1 :              -0.00003057737228
                   +0 :              -0.00002317726937
                   +1 :               0.00005231210440
                3d
                   -2 :              -0.00008395480223
                   -1 :              -0.00000727859098
                   +0 :               0.00006277497633
                   +1 :              -0.00000115393873
                   +2 :               0.00011291364712
             10 vec=     5.396580     12.099475     -9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00010053883397
                2p
                   -1 :               0.00002192537715
                   +0 :               0.00000602741681
                   +1 :              -0.00001334770444
                3s
                   +0 :               0.00138497463675
                4s
                   +0 :              -0.00017747996910
                3p
                   -1 :               0.00047807647977
                   +0 :              -0.00024589000842
                   +1 :               0.00006072301801
                4p
                   -1 :              -0.00003194103220
                   +0 :               0.00008123410426
                   +1 :              -0.00005532934553
                3d
                   -2 :              -0.00007020091727
                   -1 :              -0.00001073256452
                   +0 :              -0.00006422595362
                   +1 :               0.00002452387932
                   +2 :              -0.00008372492137
             11 vec=    13.176743     -1.376162     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00004698873226
                2p
                   -1 :              -0.00000921399698
                   +0 :               0.00000164759886
                   +1 :              -0.00002307418253
                3s
                   +0 :              -0.00006357376017
                4s
                   +0 :               0.00001919890293
                3p
                   -1 :               0.00001668809698
                   +0 :              -0.00009015832155
                   +1 :               0.00012708785506
                4p
                   -1 :              -0.00002632611076
                   +0 :               0.00001354577907
                   +1 :              -0.00004563268316
                3d
                   -2 :               0.00004822083207
                   -1 :              -0.00001069617380
                   +0 :               0.00003451041959
                   +1 :              -0.00004274449672
                   +2 :               0.00004690723384
             12 vec=    -2.383582      7.607596     14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00002226096143
                2p
                   -1 :              -0.00006040031632
                   +0 :              -0.00001640301193
                   +1 :              -0.00002354406427
                3s
                   +0 :              -0.00039651704572
                4s
                   +0 :               0.00017312373911
                3p
                   -1 :               0.00057526108135
                   +0 :              -0.00014766120101
                   +1 :              -0.00024559145912
                4p
                   -1 :              -0.00003872160324
                   +0 :               0.00006197232350
                   +1 :               0.00005229065929
                3d
                   -2 :               0.00007776863546
                   -1 :               0.00006457706876
                   +0 :              -0.00007912418836
                   +1 :              -0.00007353257373
                   +2 :               0.00015410162685
             13 vec=     5.396580     -5.868041     14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00004715889513
                2p
                   -1 :              -0.00001690408670
                   +0 :               0.00001375427649
                   +1 :              -0.00004936946676
                3s
                   +0 :               0.00080580070771
                4s
                   +0 :              -0.00009550697402
                3p
                   -1 :              -0.00024116953362
                   +0 :               0.00026585728788
                   +1 :               0.00025105445529
                4p
                   -1 :               0.00000826421864
                   +0 :              -0.00000076996883
                   +1 :              -0.00005603755864
                3d
                   -2 :              -0.00004724489677
                   -1 :              -0.00010476990954
                   +0 :               0.00009202236434
                   +1 :               0.00002998630335
                   +2 :              -0.00002318119847
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al(  6)  npairs=  14
              1 vec=    -2.383582     -1.376162     -2.510804   |vec|=    3.725510
                2s
                   +0 :              -0.00874637569018
                2p
                   -1 :               0.00330907494556
                   +0 :               0.01044421218640
                   +1 :               0.01004073740362
                3s
                   +0 :              -0.04236732710906
                4s
                   +0 :              -0.00161434495113
                3p
                   -1 :              -0.02107264683207
                   +0 :               0.03512612494791
                   +1 :               0.03295672985063
                4p
                   -1 :               0.00432033293592
                   +0 :               0.00332024872907
                   +1 :               0.00168204120006
                3d
                   -2 :               0.00756496723269
                   -1 :               0.00621231163953
                   +0 :              -0.01342433840328
                   +1 :              -0.02856786585960
                   +2 :              -0.02278563444389
              2 vec=     5.396580      3.115717     -2.510804   |vec|=    6.718252
                2s
                   +0 :               0.00051981418241
                2p
                   -1 :               0.00039228228406
                   +0 :              -0.00007790249994
                   +1 :               0.00008325617870
                3s
                   +0 :              -0.00613013914694
                4s
                   +0 :               0.00273032941801
                3p
                   -1 :              -0.00601731523664
                   +0 :               0.00386628651668
                   +1 :              -0.00526113299300
                4p
                   -1 :               0.00069297397206
                   +0 :              -0.00119283674544
                   +1 :               0.00065477508154
                3d
                   -2 :               0.00031367104420
                   -1 :               0.00272720459339
                   +0 :              -0.00041392455139
                   +1 :              -0.00007906208548
                   +2 :              -0.00185883739123
              3 vec=    -2.383582      7.607596     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00012783725533
                2p
                   -1 :               0.00044597653450
                   +0 :               0.00063695623086
                   +1 :              -0.00113517365200
                3s
                   +0 :               0.00743329510937
                4s
                   +0 :               0.00163123709937
                3p
                   -1 :              -0.00108054433327
                   +0 :              -0.00797541742779
                   +1 :               0.00902764454995
                4p
                   -1 :               0.00187795964999
                   +0 :               0.00008623711764
                   +1 :              -0.00086037380688
                3d
                   -2 :               0.00324948072932
                   -1 :              -0.00207233920778
                   +0 :               0.00258194854018
                   +1 :              -0.00224171717045
                   +2 :               0.00057020489813
              4 vec=     5.396580     -5.868041     -2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00108648862797
                2p
                   -1 :              -0.00028717490578
                   +0 :              -0.00074349326176
                   +1 :               0.00064538524635
                3s
                   +0 :              -0.00982426621537
                4s
                   +0 :               0.00138424104392
                3p
                   -1 :               0.00008486656954
                   +0 :               0.00927858291187
                   +1 :              -0.00595147196560
                4p
                   -1 :              -0.00003356206465
                   +0 :              -0.00105769839244
                   +1 :               0.00080111471334
                3d
                   -2 :              -0.00073415394997
                   -1 :              -0.00049373471264
                   +0 :              -0.00198379996600
                   +1 :               0.00258194102972
                   +2 :              -0.00102429202999
              5 vec=   -10.163745      3.115717     -2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00006583777400
                2p
                   -1 :               0.00008039957424
                   +0 :              -0.00013406840151
                   +1 :              -0.00028817036063
                3s
                   +0 :               0.00102085538049
                4s
                   +0 :               0.00005771212929
                3p
                   -1 :              -0.00027584781839
                   +0 :               0.00072258699185
                   +1 :               0.00058008833245
                4p
                   -1 :               0.00015673708521
                   +0 :              -0.00034659376441
                   +1 :              -0.00023079920039
                3d
                   -2 :               0.00012866565610
                   -1 :               0.00015128571747
                   +0 :               0.00047311832026
                   +1 :              -0.00002611130134
                   +2 :              -0.00004841596046
              6 vec=    -2.383582    -10.359920     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00036308150768
                2p
                   -1 :               0.00000765459100
                   +0 :               0.00002557331708
                   +1 :               0.00018147955085
                3s
                   +0 :               0.00054683423225
                4s
                   +0 :              -0.00006332853875
                3p
                   -1 :               0.00018070192241
                   +0 :              -0.00032317019587
                   +1 :              -0.00188282250327
                4p
                   -1 :              -0.00018033960344
                   +0 :               0.00000521557270
                   +1 :               0.00032371148115
                3d
                   -2 :              -0.00013927965018
                   -1 :              -0.00025147163195
                   +0 :              -0.00002957093646
                   +1 :               0.00062056429173
                   +2 :               0.00035451987415
              7 vec=   -10.163745     -5.868041     -2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00003974194518
                2p
                   -1 :               0.00002235854064
                   +0 :               0.00021591989555
                   +1 :               0.00006107971767
                3s
                   +0 :              -0.00066185516764
                4s
                   +0 :              -0.00011224866985
                3p
                   -1 :               0.00044158922238
                   +0 :              -0.00040665800061
                   +1 :              -0.00015511787281
                4p
                   -1 :               0.00003946425189
                   +0 :               0.00019703814784
                   +1 :               0.00006200516833
                3d
                   -2 :              -0.00010774247437
                   -1 :              -0.00037509438352
                   +0 :              -0.00006891240870
                   +1 :               0.00005915719386
                   +2 :               0.00023937988317
              8 vec=     5.396580     12.099475     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00039393762143
                2p
                   -1 :              -0.00021020571708
                   +0 :               0.00021755545799
                   +1 :               0.00013149656733
                3s
                   +0 :               0.00298171891510
                4s
                   +0 :              -0.00061837708223
                3p
                   -1 :               0.00166819199067
                   +0 :              -0.00201304383480
                   +1 :              -0.00105747713763
                4p
                   -1 :              -0.00031050532256
                   +0 :               0.00024487105959
                   +1 :               0.00018187874115
                3d
                   -2 :              -0.00010572219750
                   -1 :              -0.00063518160401
                   +0 :               0.00050237206361
                   +1 :               0.00008512736225
                   +2 :              -0.00022231350828
              9 vec=    13.176743     -1.376162     -2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00005850961343
                2p
                   -1 :               0.00010167191417
                   +0 :              -0.00003272972640
                   +1 :               0.00006490357164
                3s
                   +0 :               0.00022240929184
                4s
                   +0 :               0.00001385385168
                3p
                   -1 :              -0.00065568528624
                   +0 :               0.00003535552245
                   +1 :              -0.00020068186931
                4p
                   -1 :               0.00016234389557
                   +0 :              -0.00011745615151
                   +1 :               0.00007613543747
                3d
                   -2 :              -0.00018911731621
                   -1 :               0.00006513742914
                   +0 :               0.00016803552300
                   +1 :              -0.00004217819173
                   +2 :              -0.00001056661152
             10 vec=    13.176743      7.607596     -2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00010836586059
                2p
                   -1 :              -0.00008234464298
                   +0 :               0.00003523671133
                   +1 :              -0.00000221861743
                3s
                   +0 :               0.00079154253393
                4s
                   +0 :              -0.00016819349068
                3p
                   -1 :               0.00062948282865
                   +0 :              -0.00018527078789
                   +1 :              -0.00000675115045
                4p
                   -1 :              -0.00011865175350
                   +0 :               0.00004962868756
                   +1 :              -0.00001905079178
                3d
                   -2 :               0.00007237642231
                   -1 :              -0.00004944894200
                   +0 :               0.00001011972574
                   +1 :              -0.00002145434075
                   +2 :              -0.00002377881832
             11 vec=   -10.163745     12.099475     -2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00005951788962
                2p
                   -1 :              -0.00003662414077
                   +0 :              -0.00002074103913
                   +1 :               0.00008002365268
                3s
                   +0 :               0.00030400120331
                4s
                   +0 :              -0.00014441538061
                3p
                   -1 :               0.00001292727460
                   +0 :               0.00020510741228
                   +1 :              -0.00047964024475
                4p
                   -1 :              -0.00005008028093
                   +0 :              -0.00000983631593
                   +1 :               0.00012170682709
                3d
                   -2 :              -0.00006731521136
                   -1 :               0.00002374323766
                   +0 :              -0.00003148854945
                   +1 :               0.00004678594423
                   +2 :               0.00005866273471
             12 vec=     5.396580    -14.851799     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00004531542299
                2p
                   -1 :              -0.00002437799082
                   +0 :               0.00004514905494
                   +1 :              -0.00004694665494
                3s
                   +0 :              -0.00073342869113
                4s
                   +0 :               0.00013965047760
                3p
                   -1 :               0.00032581479091
                   +0 :              -0.00019684164599
                   +1 :               0.00026381432215
                4p
                   -1 :              -0.00011265600342
                   +0 :               0.00006700642974
                   +1 :              -0.00000879451954
                3d
                   -2 :               0.00001122012908
                   -1 :               0.00001218677250
                   +0 :              -0.00002331124810
                   +1 :              -0.00005779489756
                   +2 :               0.00002482518155
             13 vec=    -2.383582     16.591354     -2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00012407335757
                2p
                   -1 :               0.00004728023410
                   +0 :              -0.00006201706460
                   +1 :              -0.00001947308016
                3s
                   +0 :              -0.00033243158915
                4s
                   +0 :               0.00013805500476
                3p
                   -1 :              -0.00023877713664
                   +0 :               0.00036104871193
                   +1 :              -0.00001820900420
                4p
                   -1 :               0.00004573813275
                   +0 :              -0.00011877205971
                   +1 :              -0.00001880172634
                3d
                   -2 :               0.00000082278269
                   -1 :               0.00003451216819
                   +0 :               0.00001798020546
                   +1 :               0.00005352062163
                   +2 :               0.00003050304315
             14 vec=    13.176743    -10.359920     -2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00001310745869
                2p
                   -1 :              -0.00002114220903
                   +0 :               0.00000940937789
                   +1 :              -0.00000768330168
                3s
                   +0 :              -0.00024832729281
                4s
                   +0 :               0.00004972788088
                3p
                   -1 :               0.00007925574476
                   +0 :               0.00001184501287
                   +1 :              -0.00003930708960
                4p
                   -1 :               0.00001643463782
                   +0 :               0.00001525716085
                   +1 :               0.00002745960536
                3d
                   -2 :               0.00002146650059
                   -1 :              -0.00002871741867
                   +0 :              -0.00004222291407
                   +1 :               0.00000619674857
                   +2 :               0.00001195595233
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al(  7)  npairs=  13
              1 vec=    -2.383582     -1.376162      9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00010353143028
                2p
                   -1 :               0.00007355157019
                   +0 :              -0.00001044534998
                   +1 :              -0.00013332672468
                3s
                   +0 :               0.00356830638961
                4s
                   +0 :              -0.00061706243687
                3p
                   -1 :              -0.00163378924902
                   +0 :               0.00164295485465
                   +1 :               0.00058425141893
                4p
                   -1 :               0.00029514568447
                   +0 :              -0.00049765424066
                   +1 :              -0.00040941546596
                3d
                   -2 :               0.00007501636439
                   -1 :              -0.00023031890311
                   +0 :               0.00022382577214
                   +1 :              -0.00046483874408
                   +2 :              -0.00024406423773
              2 vec=     5.396580      3.115717      9.762967   |vec|=   11.582154
                2s
                   +0 :              -0.00028388747440
                2p
                   -1 :               0.00024122832718
                   +0 :              -0.00015128205051
                   +1 :              -0.00040082540594
                3s
                   +0 :              -0.00040043078052
                4s
                   +0 :              -0.00088936747799
                3p
                   -1 :               0.00056393202088
                   +0 :               0.00158683069536
                   +1 :               0.00052422555678
                4p
                   -1 :               0.00002372115280
                   +0 :              -0.00074531240076
                   +1 :              -0.00058056632378
                3d
                   -2 :               0.00020224219985
                   -1 :              -0.00020505511762
                   +0 :               0.00056131640735
                   +1 :               0.00024385631871
                   +2 :              -0.00006539183359
              3 vec=    -2.383582      7.607596      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00053357741623
                2p
                   -1 :               0.00032494591479
                   +0 :               0.00044408180062
                   +1 :              -0.00005052606590
                3s
                   +0 :              -0.00205638675064
                4s
                   +0 :               0.00122780610963
                3p
                   -1 :               0.00096470052562
                   +0 :              -0.00377832247629
                   +1 :               0.00185672083382
                4p
                   -1 :               0.00026212630492
                   +0 :               0.00128897760373
                   +1 :              -0.00048426533114
                3d
                   -2 :              -0.00000763859901
                   -1 :              -0.00060023343154
                   +0 :              -0.00087228094768
                   +1 :              -0.00002989404120
                   +2 :              -0.00034908029335
              4 vec=     5.396580     -5.868041      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00003444108577
                2p
                   -1 :               0.00014437535896
                   +0 :               0.00000423090103
                   +1 :              -0.00004558000150
                3s
                   +0 :              -0.00160454059535
                4s
                   +0 :               0.00013148973196
                3p
                   -1 :               0.00039483628894
                   +0 :              -0.00029353023636
                   +1 :              -0.00096672928930
                4p
                   -1 :               0.00011448740379
                   +0 :              -0.00003430532114
                   +1 :               0.00009575074423
                3d
                   -2 :               0.00039133000524
                   -1 :               0.00016566210607
                   +0 :               0.00025412306776
                   +1 :              -0.00011101612989
                   +2 :              -0.00000775006112
              5 vec=   -10.163745      3.115717      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00017476028075
                2p
                   -1 :               0.00005729022855
                   +0 :              -0.00004117740844
                   +1 :               0.00018427548331
                3s
                   +0 :               0.00093879703547
                4s
                   +0 :              -0.00013137543743
                3p
                   -1 :              -0.00016465572261
                   +0 :               0.00029519065451
                   +1 :              -0.00124817766499
                4p
                   -1 :              -0.00004568482398
                   +0 :              -0.00015165186552
                   +1 :               0.00017891353153
                3d
                   -2 :              -0.00008051797533
                   -1 :              -0.00003974952355
                   +0 :              -0.00010447839769
                   +1 :              -0.00023649338981
                   +2 :               0.00029242978786
              6 vec=    -2.383582    -10.359920      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00002805538671
                2p
                   -1 :              -0.00002024097573
                   +0 :               0.00004418381504
                   +1 :               0.00000418319205
                3s
                   +0 :              -0.00013074331653
                4s
                   +0 :               0.00005165653186
                3p
                   -1 :              -0.00006802116712
                   +0 :              -0.00041818944041
                   +1 :               0.00018410711087
                4p
                   -1 :               0.00003216773722
                   +0 :               0.00012859857378
                   +1 :               0.00002801306099
                3d
                   -2 :              -0.00006700905622
                   -1 :               0.00004338315344
                   +0 :              -0.00008488539029
                   +1 :               0.00011991039450
                   +2 :              -0.00002863507228
              7 vec=    -2.383582     -1.376162    -14.784576   |vec|=   15.038583
                2s
                   +0 :               0.00006742859235
                2p
                   -1 :              -0.00000477238424
                   +0 :              -0.00001715503608
                   +1 :               0.00001786384508
                3s
                   +0 :              -0.00066966078834
                4s
                   +0 :               0.00017156030266
                3p
                   -1 :               0.00006648178394
                   +0 :               0.00030010570763
                   +1 :              -0.00009821414646
                4p
                   -1 :              -0.00002300380829
                   +0 :              -0.00007202001821
                   +1 :               0.00003393100594
                3d
                   -2 :               0.00005580292528
                   -1 :              -0.00002265988834
                   +0 :              -0.00004708601471
                   +1 :               0.00000812263774
                   +2 :              -0.00007505787137
              8 vec=   -10.163745     -5.868041      9.762967   |vec|=   15.266013
                2s
                   +0 :              -0.00032757294921
                2p
                   -1 :               0.00003358765090
                   +0 :              -0.00008966879732
                   +1 :               0.00020256688744
                3s
                   +0 :               0.00102112455270
                4s
                   +0 :              -0.00021023706767
                3p
                   -1 :               0.00005561447986
                   +0 :               0.00026577142745
                   +1 :              -0.00098196785113
                4p
                   -1 :              -0.00007244027594
                   +0 :              -0.00000982457767
                   +1 :               0.00023107821860
                3d
                   -2 :               0.00016269342636
                   -1 :              -0.00005941446586
                   +0 :              -0.00005207204379
                   +1 :              -0.00013692750287
                   +2 :               0.00013824303922
              9 vec=     5.396580      3.115717    -14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00011109547342
                2p
                   -1 :              -0.00004586614469
                   +0 :               0.00002184207640
                   +1 :               0.00000631398228
                3s
                   +0 :               0.00034612461273
                4s
                   +0 :              -0.00008630522782
                3p
                   -1 :               0.00011678681987
                   +0 :              -0.00005953341854
                   +1 :              -0.00016832420661
                4p
                   -1 :              -0.00002903926910
                   +0 :               0.00000070866986
                   +1 :               0.00001934116625
                3d
                   -2 :               0.00001317157317
                   -1 :               0.00001661319512
                   +0 :              -0.00005978912528
                   +1 :               0.00005222895428
                   +2 :               0.00002222100014
             10 vec=     5.396580     12.099475      9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00011125943872
                2p
                   -1 :               0.00000826799034
                   +0 :              -0.00000108052081
                   +1 :              -0.00003950965918
                3s
                   +0 :              -0.00073969731017
                4s
                   +0 :               0.00003609869924
                3p
                   -1 :              -0.00008384139962
                   +0 :              -0.00009321534968
                   +1 :               0.00009037895374
                4p
                   -1 :              -0.00009173072517
                   +0 :               0.00008759723636
                   +1 :              -0.00006972964711
                3d
                   -2 :               0.00000717854797
                   -1 :               0.00004138387255
                   +0 :               0.00001170926555
                   +1 :               0.00000441919959
                   +2 :              -0.00005940165121
             11 vec=    13.176743     -1.376162      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00001661228927
                2p
                   -1 :               0.00001054600499
                   +0 :               0.00000087978759
                   +1 :              -0.00001679403462
                3s
                   +0 :               0.00035733068321
                4s
                   +0 :              -0.00000836189763
                3p
                   -1 :              -0.00023408644819
                   +0 :               0.00009111497246
                   +1 :               0.00013030454758
                4p
                   -1 :               0.00002861388987
                   +0 :               0.00000611085409
                   +1 :              -0.00000960582587
                3d
                   -2 :              -0.00000652663290
                   -1 :              -0.00001860412660
                   +0 :               0.00002761280647
                   +1 :              -0.00000151640696
                   +2 :               0.00000999488022
             12 vec=    -2.383582      7.607596    -14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00017897433819
                2p
                   -1 :              -0.00001022595086
                   +0 :               0.00004655973006
                   +1 :               0.00002589090426
                3s
                   +0 :               0.00085485607526
                4s
                   +0 :              -0.00016799322836
                3p
                   -1 :               0.00009885674271
                   +0 :              -0.00030005871147
                   +1 :              -0.00024798696104
                4p
                   -1 :              -0.00003104151609
                   +0 :               0.00003671989891
                   +1 :               0.00003320037524
                3d
                   -2 :              -0.00006755964293
                   -1 :              -0.00003117641273
                   +0 :              -0.00003111754519
                   +1 :               0.00002951316335
                   +2 :               0.00001498540383
             13 vec=     5.396580     -5.868041    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00010528204249
                2p
                   -1 :               0.00001348341464
                   +0 :              -0.00001667246871
                   +1 :               0.00005526572535
                3s
                   +0 :              -0.00044637380984
                4s
                   +0 :               0.00007146820437
                3p
                   -1 :              -0.00025186355172
                   +0 :              -0.00008220086354
                   +1 :              -0.00035872038719
                4p
                   -1 :               0.00002868754100
                   +0 :               0.00000669581422
                   +1 :               0.00005638020414
                3d
                   -2 :              -0.00010553692949
                   -1 :               0.00008711696080
                   +0 :               0.00012084807865
                   +1 :              -0.00000210113336
                   +2 :               0.00000288145252
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al(  8)  npairs=  14
              1 vec=    -2.383582     -1.376162      2.510641   |vec|=    3.725400
                2s
                   +0 :              -0.01324204007047
                2p
                   -1 :               0.00311929186288
                   +0 :              -0.01040758352525
                   +1 :               0.01252317279585
                3s
                   +0 :              -0.03652550841329
                4s
                   +0 :              -0.00523840326446
                3p
                   -1 :              -0.01329892926718
                   +0 :              -0.03623580250856
                   +1 :               0.02315324272433
                4p
                   -1 :               0.00291501835132
                   +0 :              -0.00428559684803
                   +1 :               0.00701433547061
                3d
                   -2 :               0.00192411370953
                   -1 :              -0.00333060236498
                   +0 :              -0.01106467861257
                   +1 :               0.02925717740184
                   +2 :              -0.02119273374270
              2 vec=     5.396580      3.115717      2.510641   |vec|=    6.718191
                2s
                   +0 :              -0.00418930736398
                2p
                   -1 :              -0.00060401159614
                   +0 :              -0.00118406462385
                   +1 :              -0.00207510576795
                3s
                   +0 :               0.01833622710716
                4s
                   +0 :              -0.00870185337410
                3p
                   -1 :               0.00284736876300
                   +0 :               0.00505039943882
                   +1 :               0.01048105600521
                4p
                   -1 :              -0.00113214577599
                   +0 :              -0.00231921525440
                   +1 :              -0.00394973787368
                3d
                   -2 :               0.00166588767481
                   -1 :              -0.00121293992683
                   +0 :               0.00165989591111
                   +1 :               0.00283025054533
                   +2 :              -0.00083319610553
              3 vec=    -2.383582      7.607596      2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00005784887048
                2p
                   -1 :              -0.00049909735593
                   +0 :              -0.00093657104527
                   +1 :              -0.00070186261278
                3s
                   +0 :               0.00013576150890
                4s
                   +0 :              -0.00059518387175
                3p
                   -1 :               0.00227496552163
                   +0 :               0.01170968907920
                   +1 :               0.00931992277938
                4p
                   -1 :              -0.00134559359198
                   +0 :              -0.00195771143039
                   +1 :              -0.00144307087365
                3d
                   -2 :               0.00222439463760
                   -1 :              -0.00017238484073
                   +0 :               0.00063747875945
                   +1 :               0.00192257190132
                   +2 :               0.00053834336233
              4 vec=     5.396580     -5.868041      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00027149357776
                2p
                   -1 :               0.00020599863903
                   +0 :               0.00054081358130
                   +1 :              -0.00038890093612
                3s
                   +0 :              -0.00710735822455
                4s
                   +0 :               0.00061007184392
                3p
                   -1 :              -0.00234102214015
                   +0 :              -0.00957530064982
                   +1 :              -0.00155525184905
                4p
                   -1 :               0.00035491256104
                   +0 :               0.00080827367064
                   +1 :              -0.00050874699648
                3d
                   -2 :              -0.00092439374027
                   -1 :               0.00034781275856
                   +0 :              -0.00275015427471
                   +1 :              -0.00272711103561
                   +2 :              -0.00065066251028
              5 vec=   -10.163745      3.115717      2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00016674108821
                2p
                   -1 :               0.00010923806202
                   +0 :               0.00007035149024
                   +1 :              -0.00004594966143
                3s
                   +0 :               0.00226522425949
                4s
                   +0 :               0.00022092445650
                3p
                   -1 :               0.00005316989133
                   +0 :               0.00028207750299
                   +1 :              -0.00086124976462
                4p
                   -1 :               0.00017272818360
                   +0 :              -0.00002016634822
                   +1 :               0.00003885332220
                3d
                   -2 :               0.00001288419338
                   -1 :              -0.00003310028482
                   +0 :               0.00029863679789
                   +1 :              -0.00008070951954
                   +2 :               0.00028995744475
              6 vec=    -2.383582    -10.359920      2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00029598148281
                2p
                   -1 :               0.00031302161397
                   +0 :              -0.00002527511811
                   +1 :               0.00006600234682
                3s
                   +0 :              -0.00093352826591
                4s
                   +0 :              -0.00006691501450
                3p
                   -1 :              -0.00133284555521
                   +0 :               0.00049013270665
                   +1 :              -0.00114669432833
                4p
                   -1 :               0.00053957421985
                   +0 :              -0.00014252595118
                   +1 :               0.00050600292314
                3d
                   -2 :               0.00017692139112
                   -1 :              -0.00000152820123
                   +0 :              -0.00047766751227
                   +1 :              -0.00018796737558
                   +2 :              -0.00019653747973
              7 vec=   -10.163745     -5.868041      2.510641   |vec|=   12.001622
                2s
                   +0 :              -0.00022739929240
                2p
                   -1 :               0.00013536109118
                   +0 :              -0.00013764522634
                   +1 :               0.00010847895168
                3s
                   +0 :              -0.00038374111062
                4s
                   +0 :              -0.00005201769598
                3p
                   -1 :              -0.00028847704939
                   +0 :              -0.00008284358078
                   +1 :              -0.00023079275075
                4p
                   -1 :               0.00019335361297
                   +0 :              -0.00012653392826
                   +1 :              -0.00004224389229
                3d
                   -2 :              -0.00028651078488
                   -1 :               0.00020389902192
                   +0 :              -0.00041545780896
                   +1 :               0.00013226273880
                   +2 :               0.00029389686769
              8 vec=     5.396580     12.099475      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00015827332889
                2p
                   -1 :               0.00018593074577
                   +0 :              -0.00002607751597
                   +1 :              -0.00009684921215
                3s
                   +0 :              -0.00067041382588
                4s
                   +0 :               0.00000167686798
                3p
                   -1 :               0.00025831093099
                   +0 :               0.00258631332767
                   +1 :              -0.00123148450321
                4p
                   -1 :               0.00015415220422
                   +0 :              -0.00016406709114
                   +1 :              -0.00017113353666
                3d
                   -2 :               0.00020773155412
                   -1 :               0.00048396771308
                   +0 :               0.00029702679787
                   +1 :               0.00020580263881
                   +2 :              -0.00031464231290
              9 vec=    13.176743     -1.376162      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00003815010038
                2p
                   -1 :              -0.00002424428722
                   +0 :               0.00015288844629
                   +1 :               0.00005940944028
                3s
                   +0 :               0.00033098157220
                4s
                   +0 :               0.00009234249962
                3p
                   -1 :              -0.00015460832249
                   +0 :              -0.00064563733217
                   +1 :              -0.00018426167682
                4p
                   -1 :               0.00007509869016
                   +0 :               0.00023613632215
                   +1 :               0.00015342948913
                3d
                   -2 :              -0.00002976268617
                   -1 :              -0.00004467371842
                   +0 :               0.00004856506498
                   +1 :              -0.00014757032118
                   +2 :              -0.00003603098450
             10 vec=    13.176743      7.607596      2.510641   |vec|=   15.420940
                2s
                   +0 :              -0.00013107348383
                2p
                   -1 :              -0.00004505138065
                   +0 :              -0.00000248378096
                   +1 :              -0.00000147478256
                3s
                   +0 :               0.00085974840986
                4s
                   +0 :              -0.00011869857165
                3p
                   -1 :               0.00028458230523
                   +0 :               0.00006682037898
                   +1 :              -0.00013377541829
                4p
                   -1 :              -0.00006768332429
                   +0 :               0.00001992689894
                   +1 :               0.00009691441205
                3d
                   -2 :               0.00002563599386
                   -1 :              -0.00000621261155
                   +0 :               0.00008853405911
                   +1 :              -0.00001378713693
                   +2 :              -0.00002137859298
             11 vec=   -10.163745     12.099475      2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00014819792868
                2p
                   -1 :              -0.00003843366123
                   +0 :               0.00007468020680
                   +1 :               0.00008762264869
                3s
                   +0 :               0.00068223187303
                4s
                   +0 :              -0.00016092174495
                3p
                   -1 :              -0.00002602921279
                   +0 :              -0.00038142403071
                   +1 :              -0.00045338751988
                4p
                   -1 :               0.00004745677893
                   +0 :               0.00009742539141
                   +1 :               0.00008682435656
                3d
                   -2 :              -0.00005612882109
                   -1 :              -0.00009904819863
                   +0 :               0.00003569167844
                   +1 :               0.00000220843395
                   +2 :               0.00005956852901
             12 vec=     5.396580    -14.851799      2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00015831886044
                2p
                   -1 :              -0.00011685767036
                   +0 :               0.00000270519170
                   +1 :              -0.00001029486804
                3s
                   +0 :              -0.00084269885263
                4s
                   +0 :               0.00024600454077
                3p
                   -1 :               0.00062669276886
                   +0 :              -0.00000610496591
                   +1 :               0.00008392356364
                4p
                   -1 :              -0.00015754280528
                   +0 :               0.00001643157177
                   +1 :              -0.00000186641103
                3d
                   -2 :              -0.00000338577058
                   -1 :              -0.00000886114553
                   +0 :               0.00000638369479
                   +1 :              -0.00000292838157
                   +2 :              -0.00002946677951
             13 vec=    -2.383582     16.591354      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00017108124595
                2p
                   -1 :               0.00006985666729
                   +0 :               0.00000017522201
                   +1 :              -0.00006543971763
                3s
                   +0 :              -0.00065493512019
                4s
                   +0 :               0.00012691514182
                3p
                   -1 :              -0.00050520587212
                   +0 :               0.00043179818720
                   +1 :               0.00030463211123
                4p
                   -1 :               0.00002787898250
                   +0 :              -0.00006111028757
                   +1 :              -0.00009714530234
                3d
                   -2 :               0.00001403731979
                   -1 :               0.00010188703667
                   +0 :               0.00011780830704
                   +1 :              -0.00001584554452
                   +2 :               0.00012594134198
             14 vec=    13.176743    -10.359920      2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00008242127103
                2p
                   -1 :               0.00000602447079
                   +0 :              -0.00000613213299
                   +1 :              -0.00003479665194
                3s
                   +0 :               0.00023167090561
                4s
                   +0 :              -0.00010428344559
                3p
                   -1 :               0.00005118889644
                   +0 :              -0.00008806459415
                   +1 :               0.00021162046068
                4p
                   -1 :              -0.00001683007536
                   +0 :               0.00000711888575
                   +1 :              -0.00005180631686
                3d
                   -2 :              -0.00001205940926
                   -1 :               0.00001037746809
                   +0 :              -0.00001697751189
                   +1 :               0.00006417321609
                   +2 :               0.00002559147336
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al(  9)  npairs=  14
              1 vec=     2.803193     -1.376162     -1.580453   |vec|=    3.499934
                2s
                   +0 :              -0.01991554199077
                2p
                   -1 :               0.00231671438056
                   +0 :               0.01218383828410
                   +1 :              -0.01986357222590
                3s
                   +0 :              -0.04890735086037
                4s
                   +0 :              -0.00811463935085
                3p
                   -1 :              -0.03529162385509
                   +0 :               0.02766602631231
                   +1 :              -0.04647220936283
                4p
                   -1 :               0.00512736959904
                   +0 :               0.00441640624359
                   +1 :              -0.00967606406736
                3d
                   -2 :              -0.01221662299796
                   -1 :               0.00532421660343
                   +0 :              -0.00162185069415
                   +1 :               0.03077838125458
                   +2 :              -0.03703781389130
              2 vec=    -4.976970      3.115717     -1.580453   |vec|=    6.080769
                2s
                   +0 :              -0.00234858276458
                2p
                   -1 :               0.00179241991601
                   +0 :               0.00145565999560
                   +1 :               0.00054866412120
                3s
                   +0 :               0.00271738577061
                4s
                   +0 :              -0.00250398096001
                3p
                   -1 :              -0.01351471634976
                   +0 :              -0.00898761977635
                   +1 :              -0.00264296589154
                4p
                   -1 :               0.00317676300245
                   +0 :               0.00298159187236
                   +1 :               0.00096968888848
                3d
                   -2 :              -0.00255979549186
                   -1 :              -0.00022591269889
                   +0 :              -0.00255530126591
                   +1 :               0.00183911966824
                   +2 :              -0.00020599466614
              3 vec=    -4.976970     -5.868041     -1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00080463165127
                2p
                   -1 :              -0.00057242623531
                   +0 :              -0.00101469969490
                   +1 :              -0.00019486021013
                3s
                   +0 :              -0.02253792937254
                4s
                   +0 :               0.00089119067095
                3p
                   -1 :               0.00433932565776
                   +0 :               0.01710687328185
                   +1 :               0.01111771585807
                4p
                   -1 :              -0.00052704834858
                   +0 :              -0.00163291621760
                   +1 :               0.00043991727962
                3d
                   -2 :              -0.00098848792056
                   -1 :              -0.00346407925605
                   +0 :              -0.00172409757428
                   +1 :              -0.00552156402369
                   +2 :              -0.00290185904248
              4 vec=     2.803193      7.607596     -1.580453   |vec|=    8.260220
                2s
                   +0 :              -0.00111258798901
                2p
                   -1 :               0.00030328270427
                   +0 :               0.00028411869886
                   +1 :               0.00106166161588
                3s
                   +0 :               0.01315462438765
                4s
                   +0 :              -0.00168621539340
                3p
                   -1 :               0.00218474023507
                   +0 :              -0.00603701293558
                   +1 :              -0.01271804119421
                4p
                   -1 :              -0.00020481475174
                   +0 :               0.00084834199967
                   +1 :               0.00139115950098
                3d
                   -2 :              -0.00478534619271
                   -1 :              -0.00090280825207
                   +0 :               0.00017847966561
                   +1 :               0.00291985708011
                   +2 :               0.00194904126496
              5 vec=     2.803193    -10.359920     -1.580453   |vec|=   10.848210
                2s
                   +0 :               0.00018285938344
                2p
                   -1 :              -0.00025590610088
                   +0 :              -0.00012758476550
                   +1 :               0.00020830227848
                3s
                   +0 :              -0.00256516071498
                4s
                   +0 :               0.00078571504100
                3p
                   -1 :               0.00178939242940
                   +0 :               0.00154872287022
                   +1 :              -0.00075626636200
                4p
                   -1 :              -0.00047092913265
                   +0 :              -0.00047619246317
                   +1 :               0.00035471218649
                3d
                   -2 :               0.00059706399767
                   -1 :              -0.00037625223217
                   +0 :              -0.00018914957568
                   +1 :               0.00023690150275
                   +2 :               0.00040453417914
              6 vec=    10.583355      3.115717     -1.580453   |vec|=   11.145086
                2s
                   +0 :              -0.00122645201234
                2p
                   -1 :              -0.00003455309501
                   +0 :               0.00008219626820
                   +1 :              -0.00043112366422
                3s
                   +0 :               0.00675978268268
                4s
                   +0 :              -0.00092469655391
                3p
                   -1 :              -0.00027149694987
                   +0 :              -0.00179463102176
                   +1 :               0.00322340391793
                4p
                   -1 :              -0.00010496932075
                   +0 :               0.00019871614659
                   +1 :              -0.00030881298682
                3d
                   -2 :              -0.00007019507732
                   -1 :               0.00052547791814
                   +0 :               0.00045157945721
                   +1 :              -0.00055079176515
                   +2 :               0.00057804264856
              7 vec=    10.583355     -5.868041     -1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00009665399618
                2p
                   -1 :               0.00017808504092
                   +0 :               0.00012226129281
                   +1 :              -0.00007458958208
                3s
                   +0 :              -0.00081152794704
                4s
                   +0 :               0.00003522111335
                3p
                   -1 :              -0.00010160264558
                   +0 :               0.00017053995483
                   +1 :              -0.00015396400020
                4p
                   -1 :               0.00025035598370
                   +0 :               0.00004904081494
                   +1 :               0.00008023540264
                3d
                   -2 :               0.00016588545811
                   -1 :              -0.00013299253814
                   +0 :              -0.00012152697470
                   +1 :               0.00006208530161
                   +2 :               0.00022783113743
              8 vec=   -12.757133     -1.376162     -1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00015268780399
                2p
                   -1 :               0.00011200889311
                   +0 :              -0.00000254901726
                   +1 :              -0.00000318420477
                3s
                   +0 :              -0.00002737416754
                4s
                   +0 :               0.00000596007662
                3p
                   -1 :              -0.00067296887261
                   +0 :              -0.00000317512789
                   +1 :              -0.00036290237043
                4p
                   -1 :               0.00016355951335
                   +0 :              -0.00005578524031
                   +1 :               0.00009924150175
                3d
                   -2 :               0.00014751662171
                   -1 :              -0.00001820610472
                   +0 :               0.00008423059282
                   +1 :               0.00001021548166
                   +2 :               0.00010976202301
              9 vec=    -4.976970     12.099475     -1.580453   |vec|=   13.178215
                2s
                   +0 :              -0.00090746310269
                2p
                   -1 :              -0.00023082907205
                   +0 :               0.00029690187660
                   +1 :               0.00024101738830
                3s
                   +0 :               0.00607742386083
                4s
                   +0 :              -0.00053034700482
                3p
                   -1 :               0.00258203730456
                   +0 :              -0.00363964855851
                   +1 :              -0.00035706921486
                4p
                   -1 :               0.00002062856846
                   +0 :               0.00052740571864
                   +1 :               0.00020977734957
                3d
                   -2 :               0.00017572653044
                   -1 :              -0.00127571101050
                   +0 :               0.00037941091130
                   +1 :               0.00002671436336
                   +2 :              -0.00037915845865
             10 vec=   -12.757133      7.607596     -1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00010326531901
                2p
                   -1 :              -0.00001508091525
                   +0 :              -0.00001421892142
                   +1 :              -0.00003355124677
                3s
                   +0 :               0.00082752794528
                4s
                   +0 :              -0.00002236839720
                3p
                   -1 :               0.00008043887554
                   +0 :               0.00001769062039
                   +1 :               0.00022739449828
                4p
                   -1 :               0.00003688579904
                   +0 :              -0.00001658972815
                   +1 :              -0.00010002356420
                3d
                   -2 :               0.00000284559824
                   -1 :               0.00008430343951
                   +0 :               0.00007170599127
                   +1 :              -0.00001061197565
                   +2 :              -0.00006050712480
             11 vec=    -4.976970    -14.851799     -1.580453   |vec|=   15.743062
                2s
                   +0 :               0.00019040274410
                2p
                   -1 :              -0.00007501412958
                   +0 :              -0.00004669635923
                   +1 :               0.00005766860325
                3s
                   +0 :              -0.00111864953782
                4s
                   +0 :               0.00026171855481
                3p
                   -1 :               0.00056267307497
                   +0 :               0.00040509798832
                   +1 :              -0.00045864548669
                4p
                   -1 :              -0.00014084650071
                   +0 :              -0.00015111180312
                   +1 :               0.00009773373675
                3d
                   -2 :               0.00000769805394
                   -1 :              -0.00005788691968
                   +0 :               0.00008338795716
                   +1 :               0.00000321142734
                   +2 :               0.00012476276691
             12 vec=    10.583355     12.099475     -1.580453   |vec|=   16.152478
                2s
                   +0 :              -0.00001169348086
                2p
                   -1 :              -0.00000415001594
                   +0 :               0.00001115818389
                   +1 :               0.00000343303541
                3s
                   +0 :               0.00036830997751
                4s
                   +0 :               0.00000412070110
                3p
                   -1 :              -0.00006500282353
                   +0 :              -0.00017232747121
                   +1 :              -0.00000383573562
                4p
                   -1 :              -0.00000137639291
                   +0 :               0.00006482859222
                   +1 :               0.00010156415892
                3d
                   -2 :               0.00011915390423
                   -1 :              -0.00004169366727
                   +0 :               0.00005720640883
                   +1 :              -0.00003017297948
                   +2 :              -0.00001360450608
             13 vec=   -12.757133    -10.359920     -1.580453   |vec|=   16.509700
                2s
                   +0 :               0.00002306213420
                2p
                   -1 :               0.00000665221348
                   +0 :              -0.00002920528524
                   +1 :               0.00000087876878
                3s
                   +0 :              -0.00030495458404
                4s
                   +0 :               0.00005488628615
                3p
                   -1 :               0.00000332024984
                   +0 :               0.00021888576174
                   +1 :               0.00003307230958
                4p
                   -1 :              -0.00000333560606
                   +0 :              -0.00003735732778
                   +1 :              -0.00002024709147
                3d
                   -2 :              -0.00000052327861
                   -1 :              -0.00001335814087
                   +0 :              -0.00001801193407
                   +1 :              -0.00002823293550
                   +2 :               0.00000594488909
             14 vec=     2.803193     16.591354     -1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00008312023359
                2p
                   -1 :              -0.00000526711751
                   +0 :              -0.00000759614052
                   +1 :               0.00001991725876
                3s
                   +0 :               0.00053157707077
                4s
                   +0 :              -0.00016128068775
                3p
                   -1 :               0.00003438232008
                   +0 :              -0.00007043481308
                   +1 :              -0.00005090997893
                4p
                   -1 :              -0.00003670987674
                   +0 :              -0.00003773603252
                   +1 :               0.00006836675925
                3d
                   -2 :               0.00001520595422
                   -1 :              -0.00009048458479
                   +0 :               0.00006447148521
                   +1 :               0.00002049185880
                   +2 :               0.00002858920473
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al( 10)  npairs=  14
              1 vec=     2.803193     -1.376162      5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00033780935414
                2p
                   -1 :               0.00059854355547
                   +0 :               0.00088667261166
                   +1 :               0.00066657481534
                3s
                   +0 :               0.00187959522159
                4s
                   +0 :               0.00265830610038
                3p
                   -1 :              -0.00554047054724
                   +0 :              -0.00786524817337
                   +1 :              -0.00598051467060
                4p
                   -1 :               0.00023425483304
                   +0 :               0.00306416676701
                   +1 :               0.00133631729048
                3d
                   -2 :               0.00197705472036
                   -1 :               0.00244926103495
                   +0 :              -0.00209917671071
                   +1 :               0.00034369950047
                   +2 :              -0.00049855232155
              2 vec=    -4.976970      3.115717      5.671873   |vec|=    8.163827
                2s
                   +0 :               0.00019024697648
                2p
                   -1 :              -0.00092209310452
                   +0 :               0.00027259298048
                   +1 :              -0.00086772398314
                3s
                   +0 :               0.00960847801917
                4s
                   +0 :              -0.00015726356977
                3p
                   -1 :               0.01099587556029
                   +0 :              -0.00280674749807
                   +1 :               0.00054714401554
                4p
                   -1 :              -0.00177459783945
                   +0 :               0.00046346139492
                   +1 :              -0.00148087840988
                3d
                   -2 :              -0.00227135927833
                   -1 :               0.00036818332860
                   +0 :              -0.00204121401353
                   +1 :               0.00200770453570
                   +2 :              -0.00168051381839
              3 vec=    -4.976970     -5.868041      5.671873   |vec|=    9.558990
                2s
                   +0 :              -0.00130873594584
                2p
                   -1 :               0.00035835523187
                   +0 :              -0.00064362454578
                   +1 :              -0.00017206822938
                3s
                   +0 :               0.00423379213338
                4s
                   +0 :              -0.00083021706627
                3p
                   -1 :              -0.00173720899861
                   +0 :               0.00162678181738
                   +1 :               0.00065191827764
                4p
                   -1 :               0.00030548034183
                   +0 :               0.00002952968992
                   +1 :              -0.00019676449712
                3d
                   -2 :              -0.00062369909281
                   -1 :              -0.00039911481555
                   +0 :              -0.00067472688891
                   +1 :               0.00015586807125
                   +2 :               0.00008544156916
              4 vec=     2.803193      7.607596      5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00183125033065
                2p
                   -1 :               0.00002242883204
                   +0 :              -0.00009717683176
                   +1 :               0.00069833857653
                3s
                   +0 :              -0.01636471126149
                4s
                   +0 :               0.00174179626021
                3p
                   -1 :              -0.00077738044131
                   +0 :               0.00106163525955
                   +1 :              -0.01205146347835
                4p
                   -1 :               0.00062275518174
                   +0 :               0.00011627993747
                   +1 :               0.00077281280978
                3d
                   -2 :              -0.00013905023120
                   -1 :               0.00116984292971
                   +0 :               0.00207208744825
                   +1 :               0.00033441989479
                   +2 :              -0.00277711410124
              5 vec=     2.803193    -10.359920      5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00020794242142
                2p
                   -1 :               0.00017269953260
                   +0 :              -0.00010704868919
                   +1 :               0.00020084105678
                3s
                   +0 :              -0.00041212198646
                4s
                   +0 :              -0.00024847822718
                3p
                   -1 :              -0.00028051200924
                   +0 :              -0.00032491219043
                   +1 :              -0.00092697211127
                4p
                   -1 :               0.00025569902535
                   +0 :               0.00012197008114
                   +1 :               0.00036040216933
                3d
                   -2 :               0.00019090821197
                   -1 :               0.00015271178149
                   +0 :               0.00001985672519
                   +1 :              -0.00008045291155
                   +2 :               0.00013889663270
              6 vec=    10.583355      3.115717      5.671873   |vec|=   12.405049
                2s
                   +0 :               0.00007483801816
                2p
                   -1 :               0.00003703438477
                   +0 :              -0.00002439921310
                   +1 :               0.00012229926144
                3s
                   +0 :               0.00075636341455
                4s
                   +0 :              -0.00008841852706
                3p
                   -1 :               0.00054528803980
                   +0 :               0.00123666310390
                   +1 :              -0.00040561710387
                4p
                   -1 :               0.00004675437493
                   +0 :              -0.00030070270704
                   +1 :               0.00001760952620
                3d
                   -2 :              -0.00009880086023
                   -1 :               0.00011392312434
                   +0 :               0.00023364551367
                   +1 :              -0.00001168832638
                   +2 :              -0.00022874348240
              7 vec=    10.583355     -5.868041      5.671873   |vec|=   13.364560
                2s
                   +0 :              -0.00010114363188
                2p
                   -1 :              -0.00002210746898
                   +0 :               0.00006610087610
                   +1 :              -0.00002512279704
                3s
                   +0 :               0.00021236815758
                4s
                   +0 :              -0.00016288359328
                3p
                   -1 :              -0.00004219057010
                   +0 :              -0.00038843338495
                   +1 :               0.00012376720908
                4p
                   -1 :               0.00001389841882
                   +0 :               0.00008120175880
                   +1 :              -0.00005501249733
                3d
                   -2 :              -0.00007116763840
                   -1 :              -0.00002370422730
                   +0 :               0.00000204611070
                   +1 :              -0.00010287650310
                   +2 :               0.00004845854699
              8 vec=   -12.757133     -1.376162      5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00048345528275
                2p
                   -1 :              -0.00006250731093
                   +0 :              -0.00013035465929
                   +1 :               0.00011383407630
                3s
                   +0 :               0.00197153026957
                4s
                   +0 :              -0.00033053515554
                3p
                   -1 :               0.00011360520445
                   +0 :               0.00077951172109
                   +1 :              -0.00066737066387
                4p
                   -1 :              -0.00005149452235
                   +0 :              -0.00028112967390
                   +1 :               0.00003001366113
                3d
                   -2 :              -0.00000936974276
                   -1 :               0.00023316886088
                   +0 :               0.00005278065103
                   +1 :              -0.00019773052647
                   +2 :               0.00009268646039
              9 vec=    -4.976970     12.099475      5.671873   |vec|=   14.259652
                2s
                   +0 :               0.00036082470995
                2p
                   -1 :               0.00006906247428
                   +0 :               0.00020271180781
                   +1 :               0.00001148710451
                3s
                   +0 :              -0.00237428552989
                4s
                   +0 :               0.00021257812654
                3p
                   -1 :               0.00011299121266
                   +0 :              -0.00146590087125
                   +1 :               0.00078921905538
                4p
                   -1 :              -0.00002959318627
                   +0 :               0.00006901230668
                   +1 :              -0.00000590594257
                3d
                   -2 :              -0.00018992490774
                   -1 :              -0.00024122751882
                   +0 :              -0.00004476985481
                   +1 :               0.00033045626476
                   +2 :              -0.00002372913129
             10 vec=   -12.757133      7.607596      5.671873   |vec|=   15.899374
                2s
                   +0 :               0.00009497571812
                2p
                   -1 :               0.00003160026589
                   +0 :               0.00005697239479
                   +1 :              -0.00007749654115
                3s
                   +0 :              -0.00035661322159
                4s
                   +0 :               0.00008743882017
                3p
                   -1 :              -0.00026506979215
                   +0 :              -0.00024467602811
                   +1 :               0.00047441211572
                4p
                   -1 :               0.00004493532119
                   +0 :               0.00004500376203
                   +1 :              -0.00010690878707
                3d
                   -2 :               0.00012191641546
                   -1 :              -0.00008655237571
                   +0 :               0.00001744519953
                   +1 :               0.00005894575013
                   +2 :              -0.00004336573454
             11 vec=    -4.976970    -14.851799      5.671873   |vec|=   16.658821
                2s
                   +0 :              -0.00008784839108
                2p
                   -1 :               0.00003851157345
                   +0 :              -0.00002912440194
                   +1 :               0.00000415654324
                3s
                   +0 :              -0.00015866921593
                4s
                   +0 :              -0.00009847825222
                3p
                   -1 :               0.00009035161449
                   +0 :               0.00007088855069
                   +1 :              -0.00012463213670
                4p
                   -1 :               0.00004140810350
                   +0 :              -0.00003638013403
                   +1 :               0.00007073291081
                3d
                   -2 :              -0.00003972648617
                   -1 :              -0.00002384846015
                   +0 :              -0.00000080756617
                   +1 :              -0.00001161887551
                   +2 :               0.00002836481595
             12 vec=    10.583355     12.099475      5.671873   |vec|=   17.046256
                2s
                   +0 :               0.00000995068638
                2p
                   -1 :               0.00001988062039
                   +0 :               0.00002466428892
                   +1 :               0.00004000227834
                3s
                   +0 :               0.00023081515543
                4s
                   +0 :               0.00010842080667
                3p
                   -1 :              -0.00005889183920
                   +0 :              -0.00000959759210
                   +1 :              -0.00005839376186
                4p
                   -1 :               0.00006375881610
                   +0 :               0.00000210146660
                   +1 :               0.00009509297776
                3d
                   -2 :               0.00000510698814
                   -1 :              -0.00006612489894
                   +0 :              -0.00002185653795
                   +1 :              -0.00003428557216
                   +2 :              -0.00000497860805
             13 vec=   -12.757133    -10.359920      5.671873   |vec|=   17.385124
                2s
                   +0 :               0.00004313528884
                2p
                   -1 :              -0.00005320115630
                   +0 :              -0.00001527080729
                   +1 :              -0.00001184918980
                3s
                   +0 :              -0.00004681789561
                4s
                   +0 :               0.00001187414491
                3p
                   -1 :               0.00042375994839
                   +0 :              -0.00004227239842
                   +1 :              -0.00002412986002
                4p
                   -1 :              -0.00006742294072
                   +0 :              -0.00000092147759
                   +1 :               0.00001622736701
                3d
                   -2 :              -0.00006321546482
                   -1 :               0.00003025105177
                   +0 :              -0.00004486249560
                   +1 :               0.00003573469043
                   +2 :              -0.00001503686103
             14 vec=     2.803193     16.591354      5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00026989804683
                2p
                   -1 :               0.00006368155312
                   +0 :              -0.00000407776523
                   +1 :              -0.00002589552569
                3s
                   +0 :              -0.00172560969387
                4s
                   +0 :               0.00034288216873
                3p
                   -1 :              -0.00076012882060
                   +0 :               0.00002763298762
                   +1 :              -0.00001422364271
                4p
                   -1 :               0.00015065105923
                   +0 :               0.00003448254616
                   +1 :              -0.00003333936255
                3d
                   -2 :              -0.00000453350411
                   -1 :               0.00003811074426
                   +0 :              -0.00002901004846
                   +1 :              -0.00010334933270
                   +2 :               0.00014777781344
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al( 11)  npairs=  13
              1 vec=     2.803193     -1.376162     -6.601898   |vec|=    7.303202
                2s
                   +0 :              -0.00016364334891
                2p
                   -1 :               0.00041871940949
                   +0 :              -0.00019638171870
                   +1 :               0.00022545619465
                3s
                   +0 :              -0.00288872747220
                4s
                   +0 :               0.00050061179748
                3p
                   -1 :              -0.00781510372022
                   +0 :               0.00055200778459
                   +1 :              -0.00793461493970
                4p
                   -1 :              -0.00003706158079
                   +0 :              -0.00064636494497
                   +1 :               0.00144493560212
                3d
                   -2 :              -0.00148290421290
                   -1 :               0.00255986052829
                   +0 :               0.00086520325126
                   +1 :               0.00066516826640
                   +2 :              -0.00183551902208
              2 vec=    -4.976970      3.115717     -6.601898   |vec|=    8.835326
                2s
                   +0 :              -0.00130410416771
                2p
                   -1 :              -0.00052117660676
                   +0 :               0.00001221220679
                   +1 :              -0.00022183346181
                3s
                   +0 :               0.01378166804071
                4s
                   +0 :              -0.00290621268131
                3p
                   -1 :               0.00507978839078
                   +0 :              -0.00527295017644
                   +1 :              -0.00272366122074
                4p
                   -1 :              -0.00147950949973
                   +0 :               0.00062319169693
                   +1 :              -0.00018162233209
                3d
                   -2 :              -0.00206985442963
                   -1 :              -0.00132330103845
                   +0 :               0.00015985268288
                   +1 :               0.00110623934947
                   +2 :              -0.00041852745294
              3 vec=    -4.976970     -5.868041     -6.601898   |vec|=   10.138500
                2s
                   +0 :              -0.00027725543994
                2p
                   -1 :               0.00012936908696
                   +0 :               0.00044731628510
                   +1 :              -0.00012040608796
                3s
                   +0 :              -0.00085508384595
                4s
                   +0 :               0.00017063791852
                3p
                   -1 :              -0.00044483027159
                   +0 :              -0.00261629476546
                   +1 :               0.00161939763100
                4p
                   -1 :              -0.00006789699595
                   +0 :               0.00042185765237
                   +1 :              -0.00032022593986
                3d
                   -2 :               0.00004721453201
                   -1 :               0.00046182869754
                   +0 :              -0.00032251975503
                   +1 :               0.00012635620569
                   +2 :              -0.00017598996971
              4 vec=     2.803193      7.607596     -6.601898   |vec|=   10.455547
                2s
                   +0 :              -0.00183255496735
                2p
                   -1 :              -0.00060493125731
                   +0 :               0.00037897554809
                   +1 :              -0.00021273414707
                3s
                   +0 :               0.00859328037848
                4s
                   +0 :              -0.00233069424688
                3p
                   -1 :               0.00414867535229
                   +0 :              -0.00285541754919
                   +1 :               0.00052799331539
                4p
                   -1 :              -0.00093701081532
                   +0 :               0.00065495523841
                   +1 :              -0.00038790695020
                3d
                   -2 :               0.00036239800019
                   -1 :              -0.00048810615555
                   +0 :               0.00007254988785
                   +1 :              -0.00038235531827
                   +2 :               0.00010801540143
              5 vec=     2.803193    -10.359920     -6.601898   |vec|=   12.600432
                2s
                   +0 :              -0.00026104235447
                2p
                   -1 :               0.00032564096249
                   +0 :               0.00015909307529
                   +1 :               0.00000358129244
                3s
                   +0 :              -0.00008586284667
                4s
                   +0 :              -0.00028764139706
                3p
                   -1 :              -0.00129557989894
                   +0 :              -0.00038290333212
                   +1 :               0.00021114194780
                4p
                   -1 :               0.00043621395308
                   +0 :               0.00021916672021
                   +1 :              -0.00006195819113
                3d
                   -2 :               0.00007865755116
                   -1 :               0.00010036298995
                   +0 :              -0.00019428481176
                   +1 :               0.00000223204821
                   +2 :               0.00000338610614
              6 vec=    10.583355      3.115717     -6.601898   |vec|=   12.856911
                2s
                   +0 :              -0.00009793005909
                2p
                   -1 :               0.00000212780852
                   +0 :               0.00014798166449
                   +1 :              -0.00000811484719
                3s
                   +0 :               0.00087829817945
                4s
                   +0 :              -0.00017448994245
                3p
                   -1 :              -0.00015763468832
                   +0 :              -0.00061752595218
                   +1 :               0.00004922102720
                4p
                   -1 :               0.00010059286250
                   +0 :               0.00013010694245
                   +1 :               0.00001523660138
                3d
                   -2 :              -0.00009514186112
                   -1 :              -0.00012368586889
                   +0 :               0.00031875298097
                   +1 :              -0.00016275910567
                   +2 :              -0.00004782457879
              7 vec=    10.583355     -5.868041     -6.601898   |vec|=   13.785005
                2s
                   +0 :               0.00007447505529
                2p
                   -1 :               0.00012284537147
                   +0 :              -0.00004747130972
                   +1 :               0.00018145812488
                3s
                   +0 :              -0.00058997743242
                4s
                   +0 :               0.00030736558257
                3p
                   -1 :              -0.00030480077412
                   +0 :               0.00026069758897
                   +1 :              -0.00105369100750
                4p
                   -1 :              -0.00002380326519
                   +0 :              -0.00011988180688
                   +1 :               0.00037534943741
                3d
                   -2 :               0.00012587634402
                   -1 :               0.00013665478913
                   +0 :               0.00004441397726
                   +1 :               0.00010292346316
                   +2 :               0.00005084614835
              8 vec=   -12.757133     -1.376162     -6.601898   |vec|=   14.429945
                2s
                   +0 :               0.00000279165417
                2p
                   -1 :              -0.00007640654797
                   +0 :              -0.00001457740720
                   +1 :              -0.00000665615729
                3s
                   +0 :              -0.00034282845266
                4s
                   +0 :               0.00022918212858
                3p
                   -1 :               0.00031920418484
                   +0 :               0.00021058913976
                   +1 :               0.00037199216024
                4p
                   -1 :              -0.00009838831746
                   +0 :              -0.00007271477954
                   +1 :              -0.00022416003759
                3d
                   -2 :              -0.00004958614058
                   -1 :              -0.00005397230805
                   +0 :               0.00001482452327
                   +1 :              -0.00000180662640
                   +2 :              -0.00011985400696
              9 vec=    -4.976970     12.099475     -6.601898   |vec|=   14.654439
                2s
                   +0 :              -0.00000032153490
                2p
                   -1 :               0.00001755883629
                   +0 :              -0.00000937670443
                   +1 :              -0.00005004512430
                3s
                   +0 :               0.00064605367847
                4s
                   +0 :              -0.00020797700042
                3p
                   -1 :               0.00003873557661
                   +0 :              -0.00000987502847
                   +1 :               0.00029127419762
                4p
                   -1 :              -0.00004156485120
                   +0 :               0.00006583661788
                   +1 :              -0.00009502512547
                3d
                   -2 :               0.00008194455483
                   -1 :               0.00006641990797
                   +0 :               0.00021911556740
                   +1 :               0.00000314161394
                   +2 :              -0.00005635045213
             10 vec=   -12.757133      7.607596     -6.601898   |vec|=   16.254384
                2s
                   +0 :              -0.00020312406856
                2p
                   -1 :              -0.00005385504912
                   +0 :               0.00002669108859
                   +1 :               0.00003394222801
                3s
                   +0 :               0.00085789603645
                4s
                   +0 :              -0.00017671385326
                3p
                   -1 :               0.00029630002896
                   +0 :              -0.00014515099809
                   +1 :              -0.00012210699124
                4p
                   -1 :              -0.00005383142752
                   +0 :               0.00003103339218
                   +1 :               0.00000210154963
                3d
                   -2 :              -0.00004970081724
                   -1 :              -0.00003038630218
                   +0 :               0.00005776001173
                   +1 :               0.00001990619199
                   +2 :              -0.00002976701231
             11 vec=    -4.976970    -14.851799     -6.601898   |vec|=   16.997977
                2s
                   +0 :               0.00011816042598
                2p
                   -1 :              -0.00002490644718
                   +0 :              -0.00002254240633
                   +1 :               0.00000186452161
                3s
                   +0 :              -0.00102076697086
                4s
                   +0 :               0.00016902400719
                3p
                   -1 :               0.00031360116025
                   +0 :               0.00032654533632
                   +1 :              -0.00000922731894
                4p
                   -1 :              -0.00002431477440
                   +0 :              -0.00004109121869
                   +1 :              -0.00000827105581
                3d
                   -2 :              -0.00003000376483
                   -1 :              -0.00007901873757
                   +0 :              -0.00001823654293
                   +1 :               0.00000253778937
                   +2 :               0.00005959145856
             12 vec=    10.583355     12.099475     -6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00005592560043
                2p
                   -1 :               0.00003454639547
                   +0 :              -0.00000916103758
                   +1 :               0.00000068989498
                3s
                   +0 :               0.00063510069107
                4s
                   +0 :              -0.00009272983451
                3p
                   -1 :              -0.00015622289649
                   +0 :              -0.00003977552392
                   +1 :               0.00012953598989
                4p
                   -1 :               0.00005648190009
                   +0 :              -0.00001548894780
                   +1 :              -0.00001669227794
                3d
                   -2 :               0.00003624982265
                   -1 :               0.00000713139468
                   +0 :               0.00004278048071
                   +1 :              -0.00000515217726
                   +2 :               0.00001893961279
             13 vec=   -12.757133    -10.359920     -6.601898   |vec|=   17.710376
                2s
                   +0 :               0.00003899161133
                2p
                   -1 :               0.00002563377582
                   +0 :               0.00000449865181
                   +1 :              -0.00000476277016
                3s
                   +0 :              -0.00027068939221
                4s
                   +0 :               0.00003284920683
                3p
                   -1 :              -0.00013335351167
                   +0 :              -0.00003642639439
                   +1 :               0.00001862215262
                4p
                   -1 :               0.00003201243408
                   +0 :               0.00001609351741
                   +1 :               0.00002482745457
                3d
                   -2 :               0.00000365389061
                   -1 :               0.00002705921585
                   +0 :              -0.00002472895895
                   +1 :              -0.00000556498769
                   +2 :               0.00001744774257
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site Al( 12)  npairs=  15
              1 vec=     2.803193     -1.376162     10.693319   |vec|=   11.139963
                2s
                   +0 :              -0.00088233974505
                2p
                   -1 :               0.00000516987768
                   +0 :              -0.00023133373720
                   +1 :               0.00036683270827
                3s
                   +0 :               0.00424482930840
                4s
                   +0 :              -0.00087651787518
                3p
                   -1 :              -0.00096466236550
                   +0 :               0.00153428666730
                   +1 :              -0.00182910170428
                4p
                   -1 :              -0.00004793028612
                   +0 :              -0.00016526706162
                   +1 :               0.00040293125354
                3d
                   -2 :               0.00011135056015
                   -1 :              -0.00021032922959
                   +0 :              -0.00028646169158
                   +1 :              -0.00003672751075
                   +2 :               0.00055940588945
              2 vec=    -4.976970      3.115717     10.693319   |vec|=   12.199385
                2s
                   +0 :              -0.00032857311799
                2p
                   -1 :              -0.00049215185329
                   +0 :              -0.00006821648117
                   +1 :              -0.00022184546926
                3s
                   +0 :              -0.00057398762294
                4s
                   +0 :              -0.00016760366739
                3p
                   -1 :               0.00341608924424
                   +0 :              -0.00137032874929
                   +1 :               0.00242862371903
                4p
                   -1 :              -0.00049057516516
                   +0 :               0.00011910142604
                   +1 :              -0.00040137474419
                3d
                   -2 :               0.00012896919229
                   -1 :               0.00068169219196
                   +0 :              -0.00080031671990
                   +1 :               0.00079839172964
                   +2 :              -0.00053334848498
              3 vec=    -4.976970     -5.868041     10.693319   |vec|=   13.173883
                2s
                   +0 :               0.00006901990828
                2p
                   -1 :               0.00004930216403
                   +0 :              -0.00000043218477
                   +1 :               0.00007545978656
                3s
                   +0 :              -0.00148789937060
                4s
                   +0 :               0.00019614351718
                3p
                   -1 :               0.00030078426678
                   +0 :              -0.00121981712701
                   +1 :               0.00031859225062
                4p
                   -1 :               0.00004038735495
                   +0 :               0.00009488451858
                   +1 :               0.00007993410633
                3d
                   -2 :              -0.00015215646327
                   -1 :               0.00025249473189
                   +0 :               0.00000987428512
                   +1 :               0.00018297628728
                   +2 :               0.00001833570205
              4 vec=     2.803193      7.607596     10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00027907356091
                2p
                   -1 :              -0.00036156102342
                   +0 :               0.00004369827035
                   +1 :               0.00020263375285
                3s
                   +0 :              -0.00031018829291
                4s
                   +0 :               0.00042313254286
                3p
                   -1 :               0.00389917616865
                   +0 :               0.00098165842753
                   +1 :              -0.00159913260320
                4p
                   -1 :              -0.00053523814465
                   +0 :              -0.00004213911744
                   +1 :               0.00005439739258
                3d
                   -2 :               0.00069928443540
                   -1 :               0.00084298210858
                   +0 :               0.00069046701308
                   +1 :              -0.00015736101475
                   +2 :              -0.00021700687851
              5 vec=     2.803193     -1.376162    -13.854224   |vec|=   14.201804
                2s
                   +0 :              -0.00001187087671
                2p
                   -1 :               0.00007254351124
                   +0 :              -0.00005072280916
                   +1 :              -0.00002177534393
                3s
                   +0 :              -0.00033114145689
                4s
                   +0 :               0.00009556805626
                3p
                   -1 :              -0.00047702469702
                   +0 :               0.00036494111851
                   +1 :               0.00016163723144
                4p
                   -1 :               0.00013518632648
                   +0 :              -0.00012951800249
                   +1 :              -0.00006748875550
                3d
                   -2 :               0.00003457887085
                   -1 :              -0.00001543727243
                   +0 :              -0.00002697041393
                   +1 :               0.00003410333633
                   +2 :              -0.00000330012935
              6 vec=    -4.976970      3.115717    -13.854224   |vec|=   15.047174
                2s
                   +0 :               0.00003883609429
                2p
                   -1 :              -0.00003814365711
                   +0 :              -0.00000687131240
                   +1 :               0.00002301671381
                3s
                   +0 :              -0.00017071841627
                4s
                   +0 :              -0.00001481175468
                3p
                   -1 :               0.00006879619325
                   +0 :               0.00006414065699
                   +1 :              -0.00000272290289
                4p
                   -1 :              -0.00004914653799
                   +0 :               0.00002134160108
                   +1 :               0.00003506127132
                3d
                   -2 :               0.00004846154755
                   -1 :               0.00003888967149
                   +0 :              -0.00000712712624
                   +1 :               0.00000605735790
                   +2 :               0.00003658669386
              7 vec=     2.803193    -10.359920     10.693319   |vec|=   15.150343
                2s
                   +0 :              -0.00005931741357
                2p
                   -1 :              -0.00003960729252
                   +0 :              -0.00005482530347
                   +1 :              -0.00006414228568
                3s
                   +0 :              -0.00017208330880
                4s
                   +0 :               0.00002836500531
                3p
                   -1 :               0.00018383240175
                   +0 :               0.00000189150293
                   +1 :              -0.00002006284600
                4p
                   -1 :              -0.00004403223187
                   +0 :               0.00001264222833
                   +1 :              -0.00001783463112
                3d
                   -2 :               0.00002042154809
                   -1 :              -0.00001194766016
                   +0 :              -0.00001919956135
                   +1 :              -0.00007891921506
                   +2 :              -0.00000494068225
              8 vec=    10.583355      3.115717     10.693319   |vec|=   15.364315
                2s
                   +0 :              -0.00009957190038
                2p
                   -1 :               0.00001524340913
                   +0 :               0.00002153408130
                   +1 :              -0.00004254934164
                3s
                   +0 :               0.00099303287608
                4s
                   +0 :              -0.00027492676442
                3p
                   -1 :              -0.00012818617723
                   +0 :              -0.00004100038684
                   +1 :               0.00061568388799
                4p
                   -1 :               0.00002068786065
                   +0 :               0.00000271817650
                   +1 :              -0.00018118279947
                3d
                   -2 :              -0.00004549755737
                   -1 :              -0.00005009116133
                   +0 :               0.00002519952395
                   +1 :               0.00004409037951
                   +2 :               0.00006786743262
              9 vec=    -4.976970     -5.868041    -13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00003164149063
                2p
                   -1 :               0.00000392844236
                   +0 :              -0.00006344509277
                   +1 :              -0.00001144009987
                3s
                   +0 :              -0.00030862032064
                4s
                   +0 :               0.00013407282741
                3p
                   -1 :              -0.00013605912890
                   +0 :               0.00055085082198
                   +1 :               0.00005775233602
                4p
                   -1 :              -0.00000854730428
                   +0 :              -0.00020195746879
                   +1 :              -0.00001341426717
                3d
                   -2 :               0.00005271621757
                   -1 :              -0.00001854465207
                   +0 :              -0.00014340044916
                   +1 :              -0.00004500417818
                   +2 :              -0.00005201312815
             10 vec=     2.803193      7.607596    -13.854224   |vec|=   16.052194
                2s
                   +0 :               0.00004552716285
                2p
                   -1 :               0.00002798583042
                   +0 :              -0.00003063007142
                   +1 :              -0.00001585673799
                3s
                   +0 :               0.00023569083351
                4s
                   +0 :              -0.00003203560846
                3p
                   -1 :              -0.00006867356526
                   +0 :               0.00001077161305
                   +1 :               0.00015079463524
                4p
                   -1 :              -0.00000043484782
                   +0 :               0.00003799722921
                   +1 :               0.00000902558651
                3d
                   -2 :               0.00003963284487
                   -1 :               0.00000319616137
                   +0 :              -0.00003069242367
                   +1 :               0.00006870974648
                   +2 :               0.00000401101779
             11 vec=    10.583355     -5.868041     10.693319   |vec|=   16.148943
                2s
                   +0 :              -0.00020086669077
                2p
                   -1 :               0.00003039664995
                   +0 :              -0.00009133849726
                   +1 :              -0.00006233770441
                3s
                   +0 :               0.00080692896307
                4s
                   +0 :              -0.00023255952873
                3p
                   -1 :              -0.00005909304092
                   +0 :               0.00043515853034
                   +1 :               0.00027682998704
                4p
                   -1 :               0.00003477643373
                   +0 :              -0.00011337350757
                   +1 :              -0.00004707370431
                3d
                   -2 :               0.00000609787818
                   -1 :              -0.00004129613259
                   +0 :               0.00006433066250
                   +1 :               0.00008168525874
                   +2 :               0.00001940720248
             12 vec=   -12.757133     -1.376162     10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00011292781010
                2p
                   -1 :               0.00000151393062
                   +0 :              -0.00007735867659
                   +1 :               0.00006148463012
                3s
                   +0 :               0.00082826433580
                4s
                   +0 :              -0.00024215989872
                3p
                   -1 :              -0.00005966043860
                   +0 :               0.00055777190634
                   +1 :              -0.00038949087525
                4p
                   -1 :              -0.00001327751062
                   +0 :              -0.00014308578055
                   +1 :               0.00011751088577
                3d
                   -2 :              -0.00005571656354
                   -1 :              -0.00001038837653
                   +0 :               0.00014070862104
                   +1 :              -0.00012898006440
                   +2 :               0.00006454757105
             13 vec=    -4.976970     12.099475     10.693319   |vec|=   16.897177
                2s
                   +0 :               0.00018762205786
                2p
                   -1 :               0.00002076721137
                   +0 :              -0.00002655886512
                   +1 :              -0.00004238949703
                3s
                   +0 :              -0.00127895070238
                4s
                   +0 :               0.00030427463296
                3p
                   -1 :              -0.00042573195339
                   +0 :               0.00032310416433
                   +1 :               0.00037542524253
                4p
                   -1 :               0.00013757947013
                   +0 :              -0.00005742697453
                   +1 :              -0.00009790075646
                3d
                   -2 :              -0.00003890169274
                   -1 :               0.00003497776195
                   +0 :              -0.00009348481597
                   +1 :              -0.00002154285285
                   +2 :               0.00004117684665
             14 vec=     2.803193    -10.359920    -13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00009874701912
                2p
                   -1 :              -0.00000813564577
                   +0 :              -0.00000279022736
                   +1 :              -0.00000875489721
                3s
                   +0 :              -0.00111560648803
                4s
                   +0 :               0.00009676249936
                3p
                   -1 :               0.00055956087584
                   +0 :               0.00019042658797
                   +1 :               0.00007915445259
                4p
                   -1 :               0.00000084782123
                   +0 :              -0.00005273156245
                   +1 :              -0.00001460596416
                3d
                   -2 :              -0.00003987376225
                   -1 :              -0.00002401650246
                   +0 :               0.00008824152078
                   +1 :              -0.00001617613321
                   +2 :               0.00014962028995
             15 vec=    10.583355      3.115717    -13.854224   |vec|=   17.710297
                2s
                   +0 :              -0.00007724423798
                2p
                   -1 :              -0.00001457453203
                   +0 :              -0.00000590163603
                   +1 :              -0.00002647651659
                3s
                   +0 :               0.00041496044571
                4s
                   +0 :              -0.00008782985515
                3p
                   -1 :               0.00005590766062
                   +0 :              -0.00002207776755
                   +1 :               0.00017623493389
                4p
                   -1 :              -0.00001617871723
                   +0 :               0.00000589007147
                   +1 :              -0.00002083630756
                3d
                   -2 :               0.00001069065847
                   -1 :               0.00000931018585
                   +0 :              -0.00002199150423
                   +1 :               0.00000879577768
                   +2 :               0.00003455497415
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 13)  npairs=  14
              1 vec=     2.593647      1.739405      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00170409817128
                2s
                   +0 :               0.02433892023019
                3s
                   +0 :              -0.00076239787138
                2p
                   -1 :              -0.00236093036530
                   +0 :               0.01094167740075
                   +1 :               0.00246779607347
                3p
                   -1 :               0.00090741357165
                   +0 :              -0.00158220823900
                   +1 :               0.00205909687282
                3d
                   -2 :              -0.00058758185436
                   -1 :              -0.00090131156706
                   +0 :               0.00142318976953
                   +1 :               0.00288048438594
                   +2 :               0.00129555487594
              2 vec=    -5.186516     -2.752474      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00119472659444
                2s
                   +0 :              -0.00789259130188
                3s
                   +0 :               0.00432120078987
                2p
                   -1 :               0.00729264378814
                   +0 :              -0.00078864231569
                   +1 :               0.00193134332250
                3p
                   -1 :              -0.00751560326242
                   +0 :              -0.00105911859975
                   +1 :              -0.00058372676745
                3d
                   -2 :               0.00045393093568
                   -1 :               0.00001244857344
                   +0 :              -0.00025305584619
                   +1 :              -0.00006606920970
                   +2 :               0.00004523520994
              3 vec=     2.593647     -7.244353      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00046431183305
                2s
                   +0 :              -0.00327906746307
                3s
                   +0 :               0.00092177550331
                2p
                   -1 :               0.00280701451737
                   +0 :              -0.00020223718460
                   +1 :              -0.00322762269339
                3p
                   -1 :              -0.00081296562226
                   +0 :              -0.00031868763999
                   +1 :               0.00224956100802
                3d
                   -2 :               0.00007892207214
                   -1 :               0.00013441493796
                   +0 :              -0.00003702382951
                   +1 :               0.00003709349515
                   +2 :               0.00013567292750
              4 vec=    -5.186516      6.231284      4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00008493390494
                2s
                   +0 :              -0.00065567985050
                3s
                   +0 :               0.00050312404986
                2p
                   -1 :              -0.00083045601164
                   +0 :               0.00349011398335
                   +1 :               0.00097866259399
                3p
                   -1 :               0.00140096771461
                   +0 :              -0.00187704737259
                   +1 :              -0.00002871217809
                3d
                   -2 :              -0.00012155383179
                   -1 :              -0.00004804896487
                   +0 :               0.00003403954964
                   +1 :               0.00005341642377
                   +2 :              -0.00016974575442
              5 vec=    10.373810     -2.752474      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00003490707050
                2s
                   +0 :              -0.00033038311411
                3s
                   +0 :               0.00019436156264
                2p
                   -1 :              -0.00025475832122
                   +0 :              -0.00015531066319
                   +1 :              -0.00070044645823
                3p
                   -1 :               0.00002250578716
                   +0 :               0.00002777794387
                   +1 :               0.00046455000535
                3d
                   -2 :               0.00001133353581
                   -1 :               0.00001717760156
                   +0 :              -0.00006486785234
                   +1 :              -0.00001204620949
                   +2 :               0.00002197122762
              6 vec=     2.593647     10.723163      4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00033659380733
                2s
                   +0 :              -0.00407387285828
                3s
                   +0 :               0.00019766001228
                2p
                   -1 :              -0.00292404133636
                   +0 :               0.00162984672320
                   +1 :              -0.00049241541292
                3p
                   -1 :               0.00085220177925
                   +0 :              -0.00011840408989
                   +1 :              -0.00056151060978
                3d
                   -2 :              -0.00024060263086
                   -1 :               0.00012334414652
                   +0 :               0.00016842545151
                   +1 :              -0.00000309683527
                   +2 :               0.00001184638436
              7 vec=    10.373810      6.231284      4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00007872243575
                2s
                   +0 :               0.00092247385749
                3s
                   +0 :              -0.00014056072268
                2p
                   -1 :               0.00024390508368
                   +0 :              -0.00002863588105
                   +1 :              -0.00004684063948
                3p
                   -1 :               0.00024171594870
                   +0 :               0.00013252851116
                   +1 :               0.00004716427870
                3d
                   -2 :               0.00002995923711
                   -1 :               0.00010530032938
                   +0 :               0.00000111373172
                   +1 :              -0.00004082877871
                   +2 :              -0.00001487052046
              8 vec=    -5.186516    -11.736232      4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00015227419322
                2s
                   +0 :              -0.00166545122255
                3s
                   +0 :               0.00017785350964
                2p
                   -1 :               0.00079906719611
                   +0 :              -0.00085063670702
                   +1 :               0.00044064184193
                3p
                   -1 :              -0.00034990932653
                   +0 :               0.00026835312621
                   +1 :              -0.00024278460078
                3d
                   -2 :              -0.00005221898164
                   -1 :               0.00001785867076
                   +0 :              -0.00002706569747
                   +1 :              -0.00001980830596
                   +2 :               0.00003992893528
              9 vec=   -12.966678      1.739405      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00008056651524
                2s
                   +0 :               0.00102073232008
                3s
                   +0 :              -0.00011174602447
                2p
                   -1 :               0.00016964336080
                   +0 :              -0.00019857265901
                   +1 :              -0.00043106609738
                3p
                   -1 :              -0.00012067183741
                   +0 :               0.00016058515644
                   +1 :              -0.00015208029665
                3d
                   -2 :              -0.00000145348079
                   -1 :               0.00000421376225
                   +0 :              -0.00000402925705
                   +1 :              -0.00001934457960
                   +2 :               0.00006084396816
             10 vec=   -12.966678     -7.244353      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00005005332481
                2s
                   +0 :              -0.00042160317057
                3s
                   +0 :               0.00012307835946
                2p
                   -1 :              -0.00007386757605
                   +0 :              -0.00008318860932
                   +1 :               0.00032492923396
                3p
                   -1 :               0.00008028805593
                   +0 :              -0.00001813270532
                   +1 :              -0.00012925976247
                3d
                   -2 :              -0.00000742535941
                   -1 :               0.00000904536613
                   +0 :              -0.00000899738223
                   +1 :              -0.00000761555058
                   +2 :               0.00001198737420
             11 vec=    10.373810    -11.736232      4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00005209734964
                2s
                   +0 :               0.00050256561657
                3s
                   +0 :              -0.00001432644009
                2p
                   -1 :              -0.00013903624022
                   +0 :               0.00015439685007
                   +1 :               0.00001611005501
                3p
                   -1 :              -0.00005383897042
                   +0 :               0.00004150752053
                   +1 :               0.00008784506671
                3d
                   -2 :              -0.00004934917737
                   -1 :              -0.00005127679786
                   +0 :               0.00002237941891
                   +1 :               0.00006738830480
                   +2 :               0.00000864390059
             12 vec=    -5.186516     15.215042      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00009557281090
                2s
                   +0 :              -0.00102741180747
                3s
                   +0 :               0.00020693064450
                2p
                   -1 :              -0.00068760658478
                   +0 :               0.00035510520468
                   +1 :               0.00060768740033
                3p
                   -1 :               0.00032189183198
                   +0 :               0.00005710311416
                   +1 :              -0.00004252640483
                3d
                   -2 :               0.00005043833458
                   -1 :               0.00000190805280
                   +0 :               0.00002038215882
                   +1 :               0.00000902248097
                   +2 :              -0.00000320654104
             13 vec=     2.593647    -16.228111      4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00005886485060
                2s
                   +0 :              -0.00044393030236
                3s
                   +0 :               0.00016126020774
                2p
                   -1 :               0.00035391307856
                   +0 :               0.00014193395548
                   +1 :              -0.00019162646767
                3p
                   -1 :              -0.00022999944206
                   +0 :              -0.00008904929679
                   +1 :               0.00019889354334
                3d
                   -2 :              -0.00002279455273
                   -1 :              -0.00000341412123
                   +0 :              -0.00000705168427
                   +1 :              -0.00000864321851
                   +2 :               0.00000664890030
             14 vec=   -12.966678     10.723163      4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00002997985695
                2s
                   +0 :               0.00025806907547
                3s
                   +0 :              -0.00006913152866
                2p
                   -1 :              -0.00008734537533
                   +0 :              -0.00004059966695
                   +1 :               0.00005868737685
                3p
                   -1 :               0.00011463561196
                   +0 :               0.00008440057477
                   +1 :              -0.00009498601603
                3d
                   -2 :              -0.00000605318889
                   -1 :               0.00000479733290
                   +0 :               0.00000844357066
                   +1 :              -0.00000090673449
                   +2 :              -0.00000967250542
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 14)  npairs=  14
              1 vec=    -2.174037      1.739405      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00307015444655
                2s
                   +0 :               0.03830505326873
                3s
                   +0 :              -0.00486683337738
                2p
                   -1 :               0.00371352672789
                   +0 :               0.01661590764656
                   +1 :              -0.00811002579476
                3p
                   -1 :              -0.00630794798668
                   +0 :              -0.00345567197545
                   +1 :               0.00311620229703
                3d
                   -2 :               0.00053006151712
                   -1 :              -0.00185256404637
                   +0 :               0.00164069763434
                   +1 :              -0.00205465282883
                   +2 :               0.00119129641593
              2 vec=     5.606126     -2.752474      4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00004228925414
                2s
                   +0 :               0.00017359446593
                3s
                   +0 :               0.00050376107060
                2p
                   -1 :               0.00062657110561
                   +0 :              -0.00070384251963
                   +1 :              -0.00084801028971
                3p
                   -1 :              -0.00124075446933
                   +0 :              -0.00102263482346
                   +1 :              -0.00027194032935
                3d
                   -2 :              -0.00008172210008
                   -1 :               0.00004351014840
                   +0 :              -0.00026469539035
                   +1 :               0.00005149759287
                   +2 :               0.00010484231231
              3 vec=    -2.174037     -7.244353      4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00044935620173
                2s
                   +0 :              -0.00337700576038
                3s
                   +0 :               0.00051602439806
                2p
                   -1 :               0.00331702153781
                   +0 :               0.00036512312582
                   +1 :               0.00376822296323
                3p
                   -1 :              -0.00072446812537
                   +0 :              -0.00175557476961
                   +1 :              -0.00321248645104
                3d
                   -2 :               0.00005412757572
                   -1 :               0.00024282087844
                   +0 :              -0.00012405694154
                   +1 :              -0.00041619376258
                   +2 :               0.00019696181828
              4 vec=     5.606126      6.231284      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00026331731274
                2s
                   +0 :               0.00160929079039
                3s
                   +0 :              -0.00016901670367
                2p
                   -1 :               0.00188435564780
                   +0 :               0.00214194432739
                   +1 :               0.00016671765049
                3p
                   -1 :              -0.00084002153123
                   +0 :              -0.00032371879058
                   +1 :              -0.00098381330842
                3d
                   -2 :              -0.00012443586821
                   -1 :              -0.00022105826199
                   +0 :               0.00019059490696
                   +1 :               0.00006548485715
                   +2 :              -0.00008232185361
              5 vec=    -9.954199     -2.752474      4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00001169721893
                2s
                   +0 :               0.00008033442094
                3s
                   +0 :              -0.00005972200383
                2p
                   -1 :              -0.00048540674429
                   +0 :               0.00044049311708
                   +1 :               0.00146541594406
                3p
                   -1 :               0.00024690684735
                   +0 :              -0.00034547085746
                   +1 :              -0.00141344043141
                3d
                   -2 :              -0.00004376703771
                   -1 :               0.00008862514647
                   +0 :              -0.00022193574737
                   +1 :               0.00016265057690
                   +2 :               0.00012820170704
              6 vec=    -2.174037     10.723163      4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00045830914315
                2s
                   +0 :              -0.00414824673376
                3s
                   +0 :               0.00024503247885
                2p
                   -1 :              -0.00334057397579
                   +0 :               0.00008497558651
                   +1 :              -0.00057486965148
                3p
                   -1 :               0.00102975585592
                   +0 :               0.00110556452841
                   +1 :               0.00158974753652
                3d
                   -2 :               0.00023677781486
                   -1 :               0.00016328127361
                   +0 :               0.00008131941943
                   +1 :              -0.00008193179116
                   +2 :               0.00005182993232
              7 vec=    -9.954199      6.231284      4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00003718794524
                2s
                   +0 :              -0.00007445507366
                3s
                   +0 :               0.00020130306826
                2p
                   -1 :               0.00061958997002
                   +0 :               0.00010362677502
                   +1 :              -0.00014619584878
                3p
                   -1 :              -0.00017886288047
                   +0 :              -0.00011624081998
                   +1 :               0.00034341230470
                3d
                   -2 :               0.00002192123190
                   -1 :              -0.00001926693402
                   +0 :               0.00003516768622
                   +1 :               0.00001664793021
                   +2 :              -0.00002501339351
              8 vec=     5.606126    -11.736232      4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00006192875033
                2s
                   +0 :              -0.00098310807437
                3s
                   +0 :              -0.00002092872010
                2p
                   -1 :               0.00011218170334
                   +0 :              -0.00079891096536
                   +1 :              -0.00000830777632
                3p
                   -1 :               0.00027064820899
                   +0 :               0.00023388485558
                   +1 :              -0.00016160469165
                3d
                   -2 :               0.00004701723612
                   -1 :               0.00002811517513
                   +0 :              -0.00001984025843
                   +1 :               0.00001782340395
                   +2 :               0.00002144690004
              9 vec=    13.386289      1.739405      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00015430883095
                2s
                   +0 :               0.00143773267113
                3s
                   +0 :              -0.00024791758479
                2p
                   -1 :              -0.00015434410331
                   +0 :              -0.00023240099515
                   +1 :               0.00045378502303
                3p
                   -1 :               0.00009895573193
                   +0 :               0.00024126161692
                   +1 :               0.00015171520841
                3d
                   -2 :              -0.00000019475442
                   -1 :              -0.00001476708261
                   +0 :               0.00000641828003
                   +1 :               0.00002522135980
                   +2 :               0.00002825089595
             10 vec=    13.386289     -7.244353      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000165205203
                2s
                   +0 :              -0.00004341111237
                3s
                   +0 :              -0.00001601127439
                2p
                   -1 :               0.00010759716397
                   +0 :              -0.00004628754759
                   +1 :              -0.00006077449689
                3p
                   -1 :              -0.00005626129350
                   +0 :              -0.00003546826860
                   +1 :              -0.00003789482267
                3d
                   -2 :               0.00000125017413
                   -1 :              -0.00000181424447
                   +0 :              -0.00000636553680
                   +1 :               0.00000428781885
                   +2 :               0.00000163359996
             11 vec=    -9.954199    -11.736232      4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00000884838794
                2s
                   +0 :               0.00001896754432
                3s
                   +0 :               0.00011049398889
                2p
                   -1 :              -0.00014181623520
                   +0 :               0.00031818936232
                   +1 :               0.00017021543160
                3p
                   -1 :              -0.00005828120844
                   +0 :              -0.00007416951623
                   +1 :              -0.00013746565470
                3d
                   -2 :               0.00004241388824
                   -1 :              -0.00003405986271
                   +0 :               0.00002126900208
                   +1 :              -0.00002902358091
                   +2 :               0.00000069704428
             12 vec=     5.606126     15.215042      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00011325229381
                2s
                   +0 :              -0.00118328433055
                3s
                   +0 :               0.00016522997050
                2p
                   -1 :              -0.00050918240026
                   +0 :               0.00040706083092
                   +1 :              -0.00068516746109
                3p
                   -1 :              -0.00000739302511
                   +0 :              -0.00010862898898
                   +1 :               0.00006980720123
                3d
                   -2 :              -0.00005135501569
                   -1 :              -0.00001201824309
                   +0 :               0.00002473259965
                   +1 :              -0.00003157093636
                   +2 :               0.00002366773394
             13 vec=    -2.174037    -16.228111      4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00005424101292
                2s
                   +0 :              -0.00046603945031
                3s
                   +0 :               0.00012326440773
                2p
                   -1 :               0.00025985786379
                   +0 :               0.00009967293072
                   +1 :               0.00035304044876
                3p
                   -1 :              -0.00013008812056
                   +0 :              -0.00012538855264
                   +1 :              -0.00030668705973
                3d
                   -2 :               0.00003190190768
                   -1 :               0.00001492509455
                   +0 :              -0.00000475166697
                   +1 :               0.00001029785801
                   +2 :               0.00001975499410
             14 vec=    13.386289     10.723163      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00003017602427
                2s
                   +0 :               0.00030859764317
                3s
                   +0 :              -0.00005284208621
                2p
                   -1 :               0.00000122152727
                   +0 :              -0.00002685960855
                   +1 :              -0.00011008865551
                3p
                   -1 :               0.00005945909464
                   +0 :               0.00006973056483
                   +1 :               0.00015671833765
                3d
                   -2 :              -0.00000313106631
                   -1 :              -0.00000260026958
                   +0 :               0.00000029567422
                   +1 :               0.00000296786808
                   +2 :               0.00000406559367
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 15)  npairs=  14
              1 vec=     0.209805     -3.115418      4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00175061761598
                2s
                   +0 :              -0.04266113879666
                3s
                   +0 :               0.00205401623216
                2p
                   -1 :               0.00779753626955
                   +0 :              -0.02423798695710
                   +1 :               0.00038656888972
                3p
                   -1 :               0.00357954967242
                   +0 :              -0.00132881236735
                   +1 :              -0.00144477727068
                3d
                   -2 :              -0.00000411287876
                   -1 :               0.00203380470882
                   +0 :              -0.00165051300180
                   +1 :               0.00079420762782
                   +2 :               0.00028086924595
              2 vec=     0.209805      5.868340      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00257039036275
                2s
                   +0 :              -0.01348368553524
                3s
                   +0 :               0.00146612060052
                2p
                   -1 :               0.00288764097936
                   +0 :              -0.00071414813524
                   +1 :               0.00135534375765
                3p
                   -1 :              -0.00123162736849
                   +0 :               0.00112051699032
                   +1 :              -0.00072593705414
                3d
                   -2 :              -0.00001409135050
                   -1 :              -0.00215424449582
                   +0 :              -0.00074100887242
                   +1 :               0.00032127216600
                   +2 :               0.00104136993576
              3 vec=    -7.570358      1.376461      4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00017132800970
                2s
                   +0 :               0.00228226721312
                3s
                   +0 :               0.00021842869467
                2p
                   -1 :              -0.00292993445989
                   +0 :              -0.00103586675531
                   +1 :              -0.00321641668724
                3p
                   -1 :               0.00194387514544
                   +0 :               0.00009628842689
                   +1 :               0.00140125085020
                3d
                   -2 :              -0.00005149043497
                   -1 :              -0.00005605390791
                   +0 :              -0.00010601153407
                   +1 :               0.00013534175957
                   +2 :              -0.00002714601689
              4 vec=     7.989968      1.376461      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00016946553338
                2s
                   +0 :               0.00217420648522
                3s
                   +0 :               0.00024083973606
                2p
                   -1 :               0.00013820503776
                   +0 :              -0.00039102880294
                   +1 :               0.00176079328973
                3p
                   -1 :              -0.00056549788430
                   +0 :              -0.00016464146347
                   +1 :              -0.00025338239334
                3d
                   -2 :               0.00000064619742
                   -1 :              -0.00001248359565
                   +0 :              -0.00002311198782
                   +1 :              -0.00027897174024
                   +2 :               0.00001979565433
              5 vec=    -7.570358     -7.607297      4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00002904438422
                2s
                   +0 :              -0.00014029184653
                3s
                   +0 :              -0.00054475757530
                2p
                   -1 :              -0.00097264163606
                   +0 :              -0.00040816110820
                   +1 :               0.00020192243786
                3p
                   -1 :               0.00100399939219
                   +0 :              -0.00053712157771
                   +1 :               0.00069313735155
                3d
                   -2 :              -0.00005255237284
                   -1 :              -0.00002626495376
                   +0 :               0.00000915675436
                   +1 :               0.00010135964496
                   +2 :              -0.00003320632750
              6 vec=     7.989968     -7.607297      4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00003479125229
                2s
                   +0 :              -0.00045388089347
                3s
                   +0 :               0.00006575416558
                2p
                   -1 :              -0.00008256238882
                   +0 :              -0.00065660254189
                   +1 :              -0.00041566523126
                3p
                   -1 :              -0.00011201992940
                   +0 :               0.00021778741615
                   +1 :               0.00007773048328
                3d
                   -2 :              -0.00000726681983
                   -1 :              -0.00008031287410
                   +0 :               0.00001923786034
                   +1 :               0.00000548949818
                   +2 :              -0.00003193887413
              7 vec=     0.209805    -12.099176      4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00019904285512
                2s
                   +0 :              -0.00181237861139
                3s
                   +0 :               0.00047252703948
                2p
                   -1 :              -0.00060113674563
                   +0 :               0.00027181819646
                   +1 :              -0.00009061605203
                3p
                   -1 :               0.00090613019807
                   +0 :              -0.00049619141059
                   +1 :               0.00006268932168
                3d
                   -2 :               0.00001516740716
                   -1 :               0.00001491521614
                   +0 :              -0.00001893894293
                   +1 :               0.00001998360348
                   +2 :              -0.00001320695468
              8 vec=    -7.570358     10.360219      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00007649292923
                2s
                   +0 :               0.00082063926642
                3s
                   +0 :              -0.00003961930691
                2p
                   -1 :               0.00065720945236
                   +0 :               0.00070497380646
                   +1 :               0.00071755204224
                3p
                   -1 :              -0.00026871542858
                   +0 :               0.00000667743870
                   +1 :              -0.00081443823912
                3d
                   -2 :              -0.00004760642188
                   -1 :              -0.00006420543815
                   +0 :              -0.00000099011748
                   +1 :              -0.00009682454055
                   +2 :               0.00004916938984
              9 vec=     7.989968     10.360219      4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00003723553138
                2s
                   +0 :               0.00025646530169
                3s
                   +0 :               0.00031810318284
                2p
                   -1 :               0.00062243547171
                   +0 :               0.00021774732153
                   +1 :              -0.00011934109403
                3p
                   -1 :              -0.00020060606757
                   +0 :               0.00014089169255
                   +1 :               0.00008278008782
                3d
                   -2 :               0.00004462236351
                   -1 :               0.00003440922374
                   +0 :               0.00003453227196
                   +1 :               0.00001259252995
                   +2 :              -0.00003313496179
             10 vec=     0.209805     14.852098      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00004895415466
                2s
                   +0 :              -0.00063005084544
                3s
                   +0 :              -0.00007228343454
                2p
                   -1 :               0.00036273127746
                   +0 :              -0.00035613045361
                   +1 :               0.00009510077300
                3p
                   -1 :              -0.00048442378250
                   +0 :               0.00028966855671
                   +1 :              -0.00008901922989
                3d
                   -2 :              -0.00002305897902
                   -1 :               0.00001263679115
                   +0 :               0.00003481149053
                   +1 :               0.00003959250450
                   +2 :              -0.00003873664857
             11 vec=   -15.350520     -3.115418      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00003873962938
                2s
                   +0 :               0.00026612891855
                3s
                   +0 :              -0.00014489626066
                2p
                   -1 :              -0.00033580683072
                   +0 :              -0.00013628171180
                   +1 :              -0.00032014633128
                3p
                   -1 :               0.00014285713006
                   +0 :               0.00000467563782
                   +1 :               0.00027201203196
                3d
                   -2 :              -0.00000892186640
                   -1 :              -0.00000518634758
                   +0 :               0.00001238401366
                   +1 :               0.00000407840326
                   +2 :              -0.00001526056008
             12 vec=    15.770130     -3.115418      4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00002203034783
                2s
                   +0 :               0.00017610882450
                3s
                   +0 :              -0.00004778648798
                2p
                   -1 :              -0.00026675273691
                   +0 :              -0.00004686830609
                   +1 :               0.00008954906466
                3p
                   -1 :               0.00010219822931
                   +0 :              -0.00000366092338
                   +1 :              -0.00007879609930
                3d
                   -2 :               0.00000257201271
                   -1 :              -0.00000836143484
                   +0 :               0.00000858366931
                   +1 :               0.00000369074363
                   +2 :              -0.00000813899905
             13 vec=   -15.350520      5.868340      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00001995580297
                2s
                   +0 :               0.00020598136606
                3s
                   +0 :              -0.00001075622608
                2p
                   -1 :               0.00011060723483
                   +0 :               0.00000833833024
                   +1 :               0.00008336796022
                3p
                   -1 :              -0.00002023441453
                   +0 :               0.00004338148278
                   +1 :              -0.00008143873207
                3d
                   -2 :              -0.00000095171007
                   -1 :               0.00000134407428
                   +0 :               0.00000422002692
                   +1 :              -0.00001147342665
                   +2 :               0.00000396950016
             14 vec=    15.770130      5.868340      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00006537932352
                2s
                   +0 :               0.00061063360425
                3s
                   +0 :              -0.00013091143788
                2p
                   -1 :               0.00016673312059
                   +0 :               0.00016118243332
                   +1 :               0.00023120824402
                3p
                   -1 :              -0.00008252972483
                   +0 :              -0.00006419501305
                   +1 :              -0.00014173948590
                3d
                   -2 :               0.00000166189392
                   -1 :               0.00000150874144
                   +0 :               0.00000524630872
                   +1 :              -0.00000195724425
                   +2 :               0.00000779860295
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 16)  npairs=  15
              1 vec=    -2.174037     -4.491729     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00043934220773
                2s
                   +0 :              -0.00463606086526
                3s
                   +0 :               0.00028323105157
                2p
                   -1 :               0.00067726301257
                   +0 :               0.00346058464772
                   +1 :               0.00243872985461
                3p
                   -1 :               0.00033489405749
                   +0 :               0.00011897288989
                   +1 :               0.00040386117845
                3d
                   -2 :              -0.00021538005586
                   -1 :              -0.00014614258589
                   +0 :              -0.00005369146473
                   +1 :              -0.00027007461785
                   +2 :              -0.00004906236880
              2 vec=    -2.174037      4.492029     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00004235471685
                2s
                   +0 :               0.00042749974629
                3s
                   +0 :               0.00040430979970
                2p
                   -1 :               0.00033146692346
                   +0 :              -0.00071358726195
                   +1 :               0.00261770076123
                3p
                   -1 :              -0.00000079422651
                   +0 :              -0.00030255588655
                   +1 :              -0.00111621500173
                3d
                   -2 :              -0.00006175131768
                   -1 :              -0.00005773782943
                   +0 :              -0.00009732941143
                   +1 :              -0.00005029775706
                   +2 :               0.00014982021505
              3 vec=     5.606126      0.000150     -8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00026454587449
                2s
                   +0 :               0.00252394241434
                3s
                   +0 :              -0.00044106545813
                2p
                   -1 :               0.00017046139003
                   +0 :              -0.00160928688714
                   +1 :               0.00154000466493
                3p
                   -1 :              -0.00098711938442
                   +0 :               0.00021356023186
                   +1 :              -0.00072468592188
                3d
                   -2 :              -0.00003568012634
                   -1 :               0.00006402398171
                   +0 :               0.00017794405470
                   +1 :              -0.00001830342167
                   +2 :               0.00002765402594
              4 vec=    -9.954199      0.000150     -8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00000952631148
                2s
                   +0 :               0.00006039521899
                3s
                   +0 :              -0.00000219392728
                2p
                   -1 :               0.00046701883895
                   +0 :               0.00017129533060
                   +1 :              -0.00037097542056
                3p
                   -1 :              -0.00048988994294
                   +0 :               0.00005653917400
                   +1 :               0.00028650860512
                3d
                   -2 :               0.00002060793007
                   -1 :               0.00003116450024
                   +0 :              -0.00003764149095
                   +1 :              -0.00001263070999
                   +2 :               0.00002884392349
              5 vec=     5.606126     -8.983608     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00007565738172
                2s
                   +0 :              -0.00117664364469
                3s
                   +0 :               0.00010199291926
                2p
                   -1 :               0.00033335111310
                   +0 :              -0.00027085711980
                   +1 :              -0.00006316371783
                3p
                   -1 :               0.00009815007065
                   +0 :               0.00018991418479
                   +1 :              -0.00036461520898
                3d
                   -2 :               0.00003701096816
                   -1 :               0.00002290730635
                   +0 :               0.00000478526506
                   +1 :              -0.00000037261962
                   +2 :              -0.00001952243944
              6 vec=     5.606126      8.983908     -8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00022065789374
                2s
                   +0 :               0.00245653932246
                3s
                   +0 :              -0.00043852435916
                2p
                   -1 :               0.00068291939478
                   +0 :              -0.00099375352192
                   +1 :              -0.00002774415713
                3p
                   -1 :              -0.00014707048197
                   +0 :               0.00024001979620
                   +1 :               0.00005086098291
                3d
                   -2 :              -0.00003474156780
                   -1 :              -0.00001944002072
                   +0 :               0.00001822472887
                   +1 :               0.00001739473990
                   +2 :              -0.00005771149318
              7 vec=    -9.954199     -8.983608     -8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00004642149216
                2s
                   +0 :              -0.00047201410221
                3s
                   +0 :               0.00007157831236
                2p
                   -1 :              -0.00015917770013
                   +0 :               0.00017777780374
                   +1 :               0.00028423382626
                3p
                   -1 :               0.00014559232665
                   +0 :               0.00000145318579
                   +1 :              -0.00007957526919
                3d
                   -2 :              -0.00000368377152
                   -1 :              -0.00002395967375
                   +0 :               0.00000634183781
                   +1 :               0.00000413963981
                   +2 :               0.00000738875327
              8 vec=    -9.954199      8.983908     -8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00001498331168
                2s
                   +0 :               0.00035584202785
                3s
                   +0 :               0.00005457499032
                2p
                   -1 :               0.00017844805328
                   +0 :              -0.00026508647436
                   +1 :              -0.00006445652059
                3p
                   -1 :              -0.00013530386007
                   +0 :               0.00007414451838
                   +1 :              -0.00007768508485
                3d
                   -2 :               0.00000651454902
                   -1 :               0.00002342926564
                   +0 :              -0.00000486580808
                   +1 :               0.00002439202678
                   +2 :               0.00000800761470
              9 vec=    -2.174037    -13.475487     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00004126888838
                2s
                   +0 :              -0.00045628393695
                3s
                   +0 :               0.00004771174479
                2p
                   -1 :               0.00016570150199
                   +0 :               0.00006064501151
                   +1 :              -0.00017322673331
                3p
                   -1 :              -0.00005530686048
                   +0 :               0.00000352975416
                   +1 :               0.00008757222569
                3d
                   -2 :               0.00000021851895
                   -1 :              -0.00000697810166
                   +0 :              -0.00000814307243
                   +1 :              -0.00000320609058
                   +2 :              -0.00001173690013
             10 vec=    -2.174037     13.475787     -8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00002270964071
                2s
                   +0 :               0.00007449258294
                3s
                   +0 :               0.00018705210065
                2p
                   -1 :              -0.00008970548991
                   +0 :              -0.00005430987803
                   +1 :               0.00012650920757
                3p
                   -1 :               0.00019816893720
                   +0 :              -0.00002823264799
                   +1 :              -0.00010672758989
                3d
                   -2 :              -0.00000855733457
                   -1 :               0.00000222380873
                   +0 :               0.00000691576190
                   +1 :              -0.00000017030339
                   +2 :              -0.00000546953636
             11 vec=    13.386289     -4.491729     -8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00003929964039
                2s
                   +0 :               0.00016158679965
                3s
                   +0 :              -0.00013245211247
                2p
                   -1 :               0.00010223493629
                   +0 :              -0.00005660982615
                   +1 :               0.00004066343056
                3p
                   -1 :              -0.00013519189852
                   +0 :               0.00005643561932
                   +1 :              -0.00011386844816
                3d
                   -2 :              -0.00000002670511
                   -1 :               0.00000082177012
                   +0 :               0.00000037172505
                   +1 :               0.00000852738506
                   +2 :              -0.00000694975753
             12 vec=    13.386289      4.492029     -8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00003568676420
                2s
                   +0 :               0.00040732424119
                3s
                   +0 :              -0.00003419324931
                2p
                   -1 :              -0.00000017790078
                   +0 :              -0.00011755919178
                   +1 :               0.00009722423643
                3p
                   -1 :              -0.00002711317897
                   +0 :               0.00006014505429
                   +1 :               0.00004360736810
                3d
                   -2 :               0.00000385131223
                   -1 :               0.00000560740381
                   +0 :              -0.00001001471877
                   +1 :               0.00000368947294
                   +2 :               0.00000999020762
             13 vec=    -2.174037     -4.491729     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00006336184104
                2s
                   +0 :               0.00060454655727
                3s
                   +0 :              -0.00011629275344
                2p
                   -1 :              -0.00006236205344
                   +0 :               0.00021576384508
                   +1 :              -0.00007615409318
                3p
                   -1 :               0.00003107871699
                   +0 :              -0.00002870424361
                   +1 :               0.00006525976634
                3d
                   -2 :               0.00000647364913
                   -1 :               0.00000047458221
                   +0 :               0.00001461535688
                   +1 :               0.00000578488086
                   +2 :               0.00000940328460
             14 vec=    -2.174037      4.492029     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00003797285035
                2s
                   +0 :               0.00027911151381
                3s
                   +0 :              -0.00011201992149
                2p
                   -1 :               0.00008868610993
                   +0 :               0.00016612059960
                   +1 :               0.00002972290038
                3p
                   -1 :              -0.00002163609233
                   +0 :              -0.00010784257305
                   +1 :               0.00002320147738
                3d
                   -2 :               0.00000011305033
                   -1 :               0.00000632820987
                   +0 :              -0.00000957426121
                   +1 :               0.00001033937659
                   +2 :              -0.00000184567007
             15 vec=     5.606126      0.000150     16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00001058912894
                2s
                   +0 :              -0.00006079404906
                3s
                   +0 :               0.00004043006365
                2p
                   -1 :              -0.00022089026091
                   +0 :               0.00006756993703
                   +1 :              -0.00011109954977
                3p
                   -1 :               0.00012501323386
                   +0 :              -0.00009832842043
                   +1 :               0.00003868640959
                3d
                   -2 :              -0.00000169409483
                   -1 :              -0.00000573296982
                   +0 :              -0.00000656113594
                   +1 :              -0.00000534865605
                   +2 :              -0.00000470707645
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 17)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00020199237031
                2s
                   +0 :               0.00180686252205
                3s
                   +0 :              -0.00031135204151
                2p
                   -1 :              -0.00386819417787
                   +0 :              -0.00162121263976
                   +1 :              -0.00127403991985
                3p
                   -1 :               0.00210244037801
                   +0 :               0.00046829547400
                   +1 :               0.00035034851561
                3d
                   -2 :               0.00003548645131
                   -1 :              -0.00006422124809
                   +0 :               0.00008814611531
                   +1 :              -0.00000548734021
                   +2 :              -0.00003453147433
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00061087438150
                2s
                   +0 :              -0.00699084028286
                3s
                   +0 :               0.00068862978069
                2p
                   -1 :               0.00209884467616
                   +0 :               0.00623704173101
                   +1 :              -0.00334168397400
                3p
                   -1 :              -0.00029966598699
                   +0 :              -0.00114319068373
                   +1 :               0.00018135706030
                3d
                   -2 :               0.00014980821304
                   -1 :              -0.00017345644554
                   +0 :              -0.00010575406039
                   +1 :               0.00026622810243
                   +2 :              -0.00005895746803
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00011230157887
                2s
                   +0 :               0.00110578846312
                3s
                   +0 :               0.00008802189342
                2p
                   -1 :              -0.00278219728348
                   +0 :              -0.00110686833929
                   +1 :              -0.00266364479755
                3p
                   -1 :               0.00217394421853
                   +0 :               0.00057076063272
                   +1 :               0.00150621739522
                3d
                   -2 :               0.00011348291956
                   -1 :              -0.00017748341977
                   +0 :              -0.00009270189091
                   +1 :               0.00001693577254
                   +2 :              -0.00001170517236
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00012007644225
                2s
                   +0 :              -0.00143820470034
                3s
                   +0 :               0.00015122607454
                2p
                   -1 :               0.00064511549182
                   +0 :               0.00007337248643
                   +1 :               0.00071069720568
                3p
                   -1 :              -0.00023561598331
                   +0 :               0.00009316365702
                   +1 :              -0.00020871427374
                3d
                   -2 :              -0.00001865064328
                   -1 :               0.00000459449317
                   +0 :              -0.00004966239800
                   +1 :              -0.00002327991846
                   +2 :               0.00000449575666
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00006912699031
                2s
                   +0 :               0.00088432004982
                3s
                   +0 :              -0.00003142748492
                2p
                   -1 :               0.00013907356333
                   +0 :              -0.00006475671298
                   +1 :              -0.00041555791011
                3p
                   -1 :               0.00005525766583
                   +0 :              -0.00021717225805
                   +1 :               0.00044055283128
                3d
                   -2 :               0.00003353769593
                   -1 :              -0.00006388253660
                   +0 :               0.00002071957066
                   +1 :              -0.00002078305701
                   +2 :              -0.00001008828214
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00002286444579
                2s
                   +0 :               0.00031402008357
                3s
                   +0 :              -0.00001234671751
                2p
                   -1 :               0.00007161488920
                   +0 :              -0.00000694169280
                   +1 :               0.00023174310286
                3p
                   -1 :              -0.00025292336195
                   +0 :               0.00008567770808
                   +1 :              -0.00008468397288
                3d
                   -2 :              -0.00002753647542
                   -1 :               0.00002114785388
                   +0 :               0.00002240769509
                   +1 :              -0.00000091554003
                   +2 :               0.00002136194380
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001593135970
                2s
                   +0 :               0.00001491878669
                3s
                   +0 :              -0.00007854029086
                2p
                   -1 :              -0.00005876222673
                   +0 :               0.00004601948843
                   +1 :               0.00013200953367
                3p
                   -1 :               0.00003185161831
                   +0 :              -0.00005013695545
                   +1 :              -0.00004907578618
                3d
                   -2 :               0.00000279959359
                   -1 :              -0.00000093546961
                   +0 :               0.00001079396644
                   +1 :              -0.00000330769161
                   +2 :              -0.00000664056129
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00005248608251
                2s
                   +0 :               0.00049817882323
                3s
                   +0 :              -0.00009344799257
                2p
                   -1 :              -0.00020144320924
                   +0 :              -0.00012856034184
                   +1 :              -0.00035750778665
                3p
                   -1 :               0.00013979245992
                   +0 :               0.00011797166256
                   +1 :               0.00017978570150
                3d
                   -2 :              -0.00001072337137
                   -1 :              -0.00000344857904
                   +0 :              -0.00000510379670
                   +1 :              -0.00000143288778
                   +2 :               0.00000674097697
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00007267390756
                2s
                   +0 :              -0.00059522827616
                3s
                   +0 :               0.00010382282231
                2p
                   -1 :               0.00042135615053
                   +0 :               0.00009038676661
                   +1 :               0.00021572363878
                3p
                   -1 :              -0.00022357108254
                   +0 :              -0.00005472468601
                   +1 :              -0.00013255177369
                3d
                   -2 :               0.00000230990458
                   -1 :               0.00000377552612
                   +0 :              -0.00000514435113
                   +1 :              -0.00000982080017
                   +2 :              -0.00000087426527
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00005684395865
                2s
                   +0 :              -0.00043020002120
                3s
                   +0 :               0.00015300817893
                2p
                   -1 :              -0.00004994912388
                   +0 :               0.00014078560774
                   +1 :              -0.00029940202438
                3p
                   -1 :               0.00000881151249
                   +0 :              -0.00010922120488
                   +1 :               0.00016499362804
                3d
                   -2 :              -0.00001156659477
                   -1 :               0.00000661649769
                   +0 :               0.00000916096585
                   +1 :              -0.00000387197692
                   +2 :              -0.00000529841800
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00003659429902
                2s
                   +0 :               0.00049358094529
                3s
                   +0 :              -0.00003011557786
                2p
                   -1 :               0.00008235586659
                   +0 :              -0.00013998962313
                   +1 :              -0.00030457308585
                3p
                   -1 :               0.00008838401958
                   +0 :               0.00006033151916
                   +1 :               0.00020919894611
                3d
                   -2 :               0.00000628502627
                   -1 :              -0.00000085841453
                   +0 :              -0.00000348617666
                   +1 :               0.00000437197513
                   +2 :               0.00001078261451
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00004144449985
                2s
                   +0 :               0.00058549934702
                3s
                   +0 :              -0.00002391089160
                2p
                   -1 :               0.00011187933403
                   +0 :              -0.00012031543415
                   +1 :               0.00025568691842
                3p
                   -1 :              -0.00001081352508
                   +0 :              -0.00006732558003
                   +1 :              -0.00007722107083
                3d
                   -2 :              -0.00000765393211
                   -1 :              -0.00002329649459
                   +0 :               0.00000589573675
                   +1 :              -0.00000698982622
                   +2 :              -0.00001564631887
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000740750211
                2s
                   +0 :               0.00008562771266
                3s
                   +0 :               0.00002130649133
                2p
                   -1 :              -0.00006693380588
                   +0 :               0.00000825994200
                   +1 :              -0.00008008013094
                3p
                   -1 :              -0.00001305907935
                   +0 :               0.00000716654816
                   +1 :               0.00012451986115
                3d
                   -2 :              -0.00000127951401
                   -1 :              -0.00001254441245
                   +0 :              -0.00001093320405
                   +1 :               0.00001651160969
                   +2 :               0.00000457112807
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00004227887734
                2s
                   +0 :               0.00041325341160
                3s
                   +0 :              -0.00007946329451
                2p
                   -1 :               0.00009905615531
                   +0 :               0.00016058311599
                   +1 :               0.00001762468302
                3p
                   -1 :              -0.00009715619334
                   +0 :              -0.00005563871075
                   +1 :               0.00000919840304
                3d
                   -2 :              -0.00000433347475
                   -1 :              -0.00000409169852
                   +0 :              -0.00000007916903
                   +1 :               0.00000130968069
                   +2 :               0.00000660589747
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001294559483
                2s
                   +0 :              -0.00005902197304
                3s
                   +0 :               0.00004944494233
                2p
                   -1 :               0.00003076823419
                   +0 :              -0.00006887951707
                   +1 :               0.00012624540688
                3p
                   -1 :               0.00000714587551
                   +0 :               0.00014317048744
                   +1 :              -0.00008007568219
                3d
                   -2 :              -0.00000408647491
                   -1 :               0.00000817515808
                   +0 :               0.00001411123124
                   +1 :              -0.00000200378122
                   +2 :              -0.00000220680434
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 18)  npairs=  14
              1 vec=     0.209805      0.363094     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00050233053974
                2s
                   +0 :              -0.00390959100230
                3s
                   +0 :               0.00132500877725
                2p
                   -1 :              -0.00206482127381
                   +0 :               0.00063219059211
                   +1 :               0.00002874827810
                3p
                   -1 :              -0.00056036346117
                   +0 :               0.00009671030822
                   +1 :               0.00004389397670
                3d
                   -2 :               0.00001916516995
                   -1 :               0.00011951383927
                   +0 :              -0.00020272997894
                   +1 :              -0.00001618974104
                   +2 :              -0.00001100895022
              2 vec=    -7.570358     -4.128785     -8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00001077391086
                2s
                   +0 :              -0.00027383544551
                3s
                   +0 :              -0.00010448377850
                2p
                   -1 :              -0.00025997813744
                   +0 :              -0.00013645691018
                   +1 :               0.00095617135519
                3p
                   -1 :              -0.00012130967061
                   +0 :               0.00017173600642
                   +1 :              -0.00056973850063
                3d
                   -2 :               0.00005350355270
                   -1 :               0.00000439065894
                   +0 :              -0.00002326645373
                   +1 :               0.00004782742504
                   +2 :              -0.00003507064422
              3 vec=     0.209805     -8.620664     -8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00004059408512
                2s
                   +0 :              -0.00134886767605
                3s
                   +0 :              -0.00020464802278
                2p
                   -1 :               0.00026816508914
                   +0 :               0.00082127737405
                   +1 :              -0.00071871257334
                3p
                   -1 :               0.00023049730687
                   +0 :               0.00018452303300
                   +1 :               0.00041167301153
                3d
                   -2 :              -0.00000396303527
                   -1 :              -0.00002723578762
                   +0 :              -0.00000826548560
                   +1 :               0.00005584012461
                   +2 :              -0.00003772773903
              4 vec=    -7.570358      4.854973     -8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00024380305776
                2s
                   +0 :               0.00253924359404
                3s
                   +0 :              -0.00052582713431
                2p
                   -1 :               0.00043569264702
                   +0 :              -0.00103256516747
                   +1 :              -0.00056068154496
                3p
                   -1 :              -0.00062892190869
                   +0 :               0.00018205906004
                   +1 :              -0.00011988901810
                3d
                   -2 :               0.00010864176022
                   -1 :               0.00005859158075
                   +0 :               0.00004782004662
                   +1 :               0.00003187098130
                   +2 :               0.00006355636089
              5 vec=     7.989968     -4.128785     -8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00003883465044
                2s
                   +0 :              -0.00014900765139
                3s
                   +0 :              -0.00014805143266
                2p
                   -1 :              -0.00151805851251
                   +0 :              -0.00003363923236
                   +1 :              -0.00095618379435
                3p
                   -1 :               0.00095470860602
                   +0 :               0.00005931105393
                   +1 :               0.00041308706815
                3d
                   -2 :              -0.00003009171212
                   -1 :              -0.00006423914725
                   +0 :              -0.00002437408742
                   +1 :              -0.00003433060403
                   +2 :               0.00001240194433
              6 vec=     0.209805      9.346852     -8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00000768806334
                2s
                   +0 :               0.00050768250473
                3s
                   +0 :               0.00003129003073
                2p
                   -1 :               0.00117512284323
                   +0 :              -0.00081893556904
                   +1 :              -0.00009587349236
                3p
                   -1 :              -0.00080930933139
                   +0 :               0.00053954160322
                   +1 :               0.00005478235412
                3d
                   -2 :               0.00002364187064
                   -1 :               0.00004954899734
                   +0 :              -0.00000991095212
                   +1 :              -0.00002330071616
                   +2 :               0.00002992999860
              7 vec=     7.989968      4.854973     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00016439426611
                2s
                   +0 :               0.00174698344857
                3s
                   +0 :              -0.00017596061496
                2p
                   -1 :              -0.00036313903438
                   +0 :              -0.00044891203387
                   +1 :               0.00098724388599
                3p
                   -1 :               0.00006815927933
                   +0 :              -0.00031830102874
                   +1 :              -0.00031731596094
                3d
                   -2 :              -0.00003513432534
                   -1 :               0.00005166762721
                   +0 :               0.00002780969469
                   +1 :              -0.00010254923724
                   +2 :              -0.00000133889459
              8 vec=     0.209805      0.363094     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001675582156
                2s
                   +0 :              -0.00012110093476
                3s
                   +0 :               0.00003983855168
                2p
                   -1 :               0.00007689857645
                   +0 :              -0.00007645294538
                   +1 :               0.00011575297918
                3p
                   -1 :              -0.00005066748090
                   +0 :               0.00002581216255
                   +1 :              -0.00004095948479
                3d
                   -2 :               0.00000023480528
                   -1 :              -0.00000998137779
                   +0 :              -0.00000305082721
                   +1 :               0.00000085777879
                   +2 :              -0.00000857893162
              9 vec=    -7.570358    -13.112543     -8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00004795233773
                2s
                   +0 :              -0.00055051508372
                3s
                   +0 :               0.00006183333652
                2p
                   -1 :               0.00015720983825
                   +0 :               0.00015586930504
                   +1 :               0.00019611165491
                3p
                   -1 :              -0.00001062931130
                   +0 :              -0.00005955873528
                   +1 :              -0.00001650086670
                3d
                   -2 :              -0.00001533571000
                   -1 :               0.00000123526889
                   +0 :               0.00000547705404
                   +1 :              -0.00000278864407
                   +2 :               0.00000280326445
             10 vec=   -15.350520      0.363094     -8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00000033086891
                2s
                   +0 :               0.00003046944406
                3s
                   +0 :               0.00000763559531
                2p
                   -1 :              -0.00002363191624
                   +0 :              -0.00004328709288
                   +1 :              -0.00004578872317
                3p
                   -1 :              -0.00004695343476
                   +0 :               0.00001440110090
                   +1 :               0.00003604744010
                3d
                   -2 :               0.00000235596647
                   -1 :               0.00000104917596
                   +0 :              -0.00000034281600
                   +1 :              -0.00000007424393
                   +2 :               0.00000313746453
             11 vec=     7.989968    -13.112543     -8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00007244643504
                2s
                   +0 :              -0.00065850626529
                3s
                   +0 :               0.00015504086238
                2p
                   -1 :               0.00038119290448
                   +0 :               0.00013560159386
                   +1 :              -0.00016512337452
                3p
                   -1 :              -0.00021270310599
                   +0 :              -0.00002688566590
                   +1 :              -0.00000352041244
                3d
                   -2 :               0.00001042254382
                   -1 :               0.00000349756935
                   +0 :               0.00000294834712
                   +1 :               0.00001480917880
                   +2 :              -0.00000955687322
             12 vec=    -7.570358     13.838731     -8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00003535934414
                2s
                   +0 :               0.00037974548127
                3s
                   +0 :              -0.00002591518386
                2p
                   -1 :               0.00015094790423
                   +0 :              -0.00007956914456
                   +1 :              -0.00006418642644
                3p
                   -1 :              -0.00001458368730
                   +0 :               0.00001995438371
                   +1 :               0.00003129804905
                3d
                   -2 :              -0.00000481753158
                   -1 :              -0.00000606447855
                   +0 :              -0.00000079786422
                   +1 :              -0.00000816763891
                   +2 :              -0.00000540922077
             13 vec=    15.770130      0.363094     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00001418422040
                2s
                   +0 :               0.00017976206900
                3s
                   +0 :              -0.00001361111265
                2p
                   -1 :              -0.00009439903502
                   +0 :              -0.00013214440188
                   +1 :              -0.00000234143051
                3p
                   -1 :               0.00001961429527
                   +0 :               0.00006062750786
                   +1 :               0.00005223600947
                3d
                   -2 :               0.00000166915666
                   -1 :               0.00000333780819
                   +0 :               0.00000137340644
                   +1 :              -0.00000441162425
                   +2 :               0.00000291983146
             14 vec=     7.989968     13.838731     -8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00005601064252
                2s
                   +0 :               0.00057769580439
                3s
                   +0 :              -0.00010093637615
                2p
                   -1 :               0.00021644919728
                   +0 :              -0.00000887799251
                   +1 :               0.00005642646659
                3p
                   -1 :              -0.00002280763435
                   +0 :               0.00001150174003
                   +1 :               0.00000510638099
                3d
                   -2 :               0.00000419067817
                   -1 :               0.00000646453235
                   +0 :              -0.00000128195891
                   +1 :               0.00000265544280
                   +2 :              -0.00000426582390
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 19)  npairs=  14
              1 vec=     0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00009385967493
                2s
                   +0 :              -0.00111167518535
                3s
                   +0 :               0.00018602795674
                2p
                   -1 :              -0.00050198993836
                   +0 :               0.00033948948761
                   +1 :              -0.00000441608478
                3p
                   -1 :               0.00015397867311
                   +0 :              -0.00009088618501
                   +1 :               0.00008834215561
                3d
                   -2 :               0.00001927349069
                   -1 :               0.00001324384301
                   +0 :               0.00001595624549
                   +1 :              -0.00000956541119
                   +2 :              -0.00000113986749
              2 vec=     0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000274751286
                2s
                   +0 :               0.00038351188369
                3s
                   +0 :               0.00009753914800
                2p
                   -1 :               0.00003337889305
                   +0 :               0.00015887402511
                   +1 :               0.00001700083478
                3p
                   -1 :              -0.00015851582802
                   +0 :               0.00031223329723
                   +1 :               0.00007840897743
                3d
                   -2 :               0.00000354618444
                   -1 :              -0.00003513738177
                   +0 :               0.00006628216884
                   +1 :               0.00003830448016
                   +2 :              -0.00002019997909
              3 vec=     0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00005136878273
                2s
                   +0 :               0.00072527230327
                3s
                   +0 :               0.00004892067492
                2p
                   -1 :               0.00002980441174
                   +0 :              -0.00009678370989
                   +1 :               0.00032984778073
                3p
                   -1 :               0.00002728801902
                   +0 :              -0.00030618473934
                   +1 :              -0.00026081237515
                3d
                   -2 :              -0.00000435291431
                   -1 :              -0.00003271440729
                   +0 :               0.00005664519386
                   +1 :              -0.00000122592531
                   +2 :              -0.00000485096852
              4 vec=     0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000454925742
                2s
                   +0 :               0.00003638440369
                3s
                   +0 :              -0.00000592840922
                2p
                   -1 :               0.00090037198158
                   +0 :              -0.00013108382089
                   +1 :               0.00033991194218
                3p
                   -1 :              -0.00021088787218
                   +0 :               0.00020659376623
                   +1 :              -0.00018400413666
                3d
                   -2 :               0.00003186460202
                   -1 :               0.00002838529102
                   +0 :               0.00007520171241
                   +1 :               0.00001884700317
                   +2 :               0.00003904622710
              5 vec=    -7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00003734257027
                2s
                   +0 :               0.00038797674894
                3s
                   +0 :              -0.00004419168027
                2p
                   -1 :               0.00001411750116
                   +0 :              -0.00021309629064
                   +1 :               0.00008024243273
                3p
                   -1 :              -0.00011213730151
                   +0 :              -0.00002619261164
                   +1 :              -0.00001868664302
                3d
                   -2 :              -0.00000577080592
                   -1 :               0.00000446768744
                   +0 :               0.00000580952484
                   +1 :              -0.00000589599792
                   +2 :              -0.00000523680221
              6 vec=    -7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00027596368732
                2s
                   +0 :               0.00225183405281
                3s
                   +0 :              -0.00058172414209
                2p
                   -1 :               0.00002674656361
                   +0 :               0.00075196175201
                   +1 :              -0.00050441396695
                3p
                   -1 :               0.00024905696261
                   +0 :              -0.00019813744809
                   +1 :               0.00027108637110
                3d
                   -2 :              -0.00000399374752
                   -1 :               0.00006212982735
                   +0 :               0.00000757231356
                   +1 :               0.00000827234432
                   +2 :              -0.00001621672408
              7 vec=     7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001776456149
                2s
                   +0 :               0.00031446795984
                3s
                   +0 :              -0.00000562292810
                2p
                   -1 :              -0.00014207050185
                   +0 :              -0.00000111524829
                   +1 :              -0.00008397012787
                3p
                   -1 :               0.00003412125002
                   +0 :              -0.00026034073645
                   +1 :               0.00003023548312
                3d
                   -2 :               0.00000112830263
                   -1 :              -0.00001255232521
                   +0 :               0.00002178432878
                   +1 :              -0.00001491388484
                   +2 :               0.00001253147461
              8 vec=     7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00008277858396
                2s
                   +0 :               0.00085574424407
                3s
                   +0 :              -0.00000194486261
                2p
                   -1 :               0.00034335101716
                   +0 :               0.00000831144370
                   +1 :              -0.00022546904080
                3p
                   -1 :              -0.00000850883405
                   +0 :               0.00035883927664
                   +1 :               0.00027619112091
                3d
                   -2 :               0.00003765503978
                   -1 :               0.00005035551565
                   +0 :               0.00003735761449
                   +1 :               0.00004670817554
                   +2 :               0.00000964648521
              9 vec=    -7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00004594848613
                2s
                   +0 :              -0.00042447262777
                3s
                   +0 :               0.00006040121363
                2p
                   -1 :               0.00002296075002
                   +0 :               0.00007362125522
                   +1 :               0.00013191327336
                3p
                   -1 :              -0.00001714822889
                   +0 :               0.00006042170606
                   +1 :              -0.00000043217473
                3d
                   -2 :              -0.00000012098301
                   -1 :              -0.00000895315898
                   +0 :              -0.00001365457553
                   +1 :              -0.00000716185992
                   +2 :               0.00000737230063
             10 vec=    -7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00002128834828
                2s
                   +0 :               0.00017835187399
                3s
                   +0 :              -0.00005072635234
                2p
                   -1 :              -0.00014284616623
                   +0 :               0.00007073362821
                   +1 :               0.00018080358051
                3p
                   -1 :               0.00008335681854
                   +0 :              -0.00015887212477
                   +1 :              -0.00014370554445
                3d
                   -2 :               0.00000536233927
                   -1 :               0.00001434253089
                   +0 :              -0.00001621135220
                   +1 :              -0.00001206534669
                   +2 :              -0.00000370065178
             11 vec=     7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00004661457650
                2s
                   +0 :              -0.00046546505948
                3s
                   +0 :               0.00011132441268
                2p
                   -1 :               0.00003486024902
                   +0 :               0.00032862017616
                   +1 :              -0.00017284232628
                3p
                   -1 :               0.00000137141263
                   +0 :              -0.00014004166469
                   +1 :               0.00005360379871
                3d
                   -2 :              -0.00000770443079
                   -1 :               0.00000116508423
                   +0 :               0.00000516842694
                   +1 :              -0.00000298027981
                   +2 :              -0.00000720158964
             12 vec=     7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001264294876
                2s
                   +0 :               0.00018780711185
                3s
                   +0 :              -0.00001316797103
                2p
                   -1 :              -0.00026114734011
                   +0 :              -0.00002875711940
                   +1 :              -0.00002535080961
                3p
                   -1 :               0.00015142847223
                   +0 :              -0.00009346146125
                   +1 :               0.00003825983353
                3d
                   -2 :              -0.00000114205201
                   -1 :               0.00001455211795
                   +0 :              -0.00000520085256
                   +1 :               0.00000801696702
                   +2 :               0.00000774819249
             13 vec=     0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00004982852047
                2s
                   +0 :              -0.00058249768876
                3s
                   +0 :               0.00004890051070
                2p
                   -1 :               0.00022973932897
                   +0 :               0.00002733877038
                   +1 :               0.00001599754848
                3p
                   -1 :              -0.00000417153401
                   +0 :               0.00008699723723
                   +1 :               0.00002435712213
                3d
                   -2 :              -0.00000790970809
                   -1 :              -0.00000962723394
                   +0 :              -0.00000119731442
                   +1 :              -0.00000152441210
                   +2 :               0.00000612259745
             14 vec=     0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000098348522
                2s
                   +0 :              -0.00011672747139
                3s
                   +0 :              -0.00003244691907
                2p
                   -1 :               0.00014203975051
                   +0 :              -0.00014747775603
                   +1 :               0.00001082936831
                3p
                   -1 :              -0.00004431447550
                   +0 :              -0.00005685056125
                   +1 :               0.00002162873424
                3d
                   -2 :               0.00000024537031
                   -1 :               0.00000727620557
                   +0 :              -0.00000413178722
                   +1 :              -0.00000031702821
                   +2 :               0.00000177371007
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 20)  npairs=  18
              1 vec=     3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00011163603168
                2s
                   +0 :              -0.00079189969853
                3s
                   +0 :               0.00043700218748
                2p
                   -1 :              -0.00002730610234
                   +0 :               0.00068342537489
                   +1 :              -0.00030894356659
                3p
                   -1 :              -0.00006212512932
                   +0 :              -0.00061664048173
                   +1 :               0.00007236161429
                3d
                   -2 :              -0.00002188352118
                   -1 :               0.00000398402125
                   +0 :               0.00004052692027
                   +1 :              -0.00000062618257
                   +2 :              -0.00000754026554
              2 vec=     3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00007109922567
                2s
                   +0 :               0.00057146818710
                3s
                   +0 :              -0.00027113874671
                2p
                   -1 :               0.00111893786716
                   +0 :               0.00032784503929
                   +1 :              -0.00030263223529
                3p
                   -1 :              -0.00037707645712
                   +0 :              -0.00047500166358
                   +1 :               0.00021895481671
                3d
                   -2 :              -0.00000264336561
                   -1 :               0.00005717234746
                   +0 :              -0.00009572414660
                   +1 :               0.00000300451027
                   +2 :               0.00002939619484
              3 vec=    -4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00012448133898
                2s
                   +0 :              -0.00092957539533
                3s
                   +0 :               0.00025703029358
                2p
                   -1 :              -0.00036001595799
                   +0 :               0.00040925549685
                   +1 :               0.00041732505276
                3p
                   -1 :              -0.00015070552015
                   +0 :              -0.00009953953211
                   +1 :               0.00003192143451
                3d
                   -2 :               0.00003134771357
                   -1 :               0.00007078092536
                   +0 :               0.00001635900411
                   +1 :              -0.00004839941985
                   +2 :              -0.00000150184439
              4 vec=    -4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00009329551196
                2s
                   +0 :               0.00079095457586
                3s
                   +0 :              -0.00008564190990
                2p
                   -1 :              -0.00094699681842
                   +0 :               0.00001983644957
                   +1 :               0.00035770808016
                3p
                   -1 :               0.00012523503705
                   +0 :               0.00017898296705
                   +1 :              -0.00002271984039
                3d
                   -2 :              -0.00001236890847
                   -1 :              -0.00008902549847
                   +0 :               0.00000302175603
                   +1 :               0.00002847806049
                   +2 :              -0.00003989975118
              5 vec=    -4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00006524352391
                2s
                   +0 :               0.00056717723572
                3s
                   +0 :              -0.00016828481794
                2p
                   -1 :              -0.00031734217229
                   +0 :              -0.00024822948061
                   +1 :              -0.00025637249495
                3p
                   -1 :               0.00021410516558
                   +0 :               0.00015409986639
                   +1 :               0.00017774065736
                3d
                   -2 :              -0.00000790358977
                   -1 :              -0.00001091874527
                   +0 :              -0.00002628129369
                   +1 :              -0.00000999720143
                   +2 :              -0.00000118271734
              6 vec=    -4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00006103343323
                2s
                   +0 :               0.00057433868986
                3s
                   +0 :              -0.00017848234574
                2p
                   -1 :              -0.00076972426069
                   +0 :               0.00015716736766
                   +1 :              -0.00029344278835
                3p
                   -1 :               0.00061970679396
                   +0 :               0.00004337055290
                   +1 :               0.00007689349990
                3d
                   -2 :              -0.00004757938394
                   -1 :               0.00001792321427
                   +0 :               0.00005896539672
                   +1 :              -0.00002131208422
                   +2 :               0.00005801307769
              7 vec=     3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00016563501628
                2s
                   +0 :              -0.00212891980191
                3s
                   +0 :               0.00022594151546
                2p
                   -1 :               0.00050225931781
                   +0 :               0.00116160568760
                   +1 :               0.00014409932207
                3p
                   -1 :               0.00004174647409
                   +0 :               0.00001408119129
                   +1 :              -0.00011250525070
                3d
                   -2 :               0.00000019517727
                   -1 :              -0.00005296026604
                   +0 :              -0.00005450456612
                   +1 :              -0.00000746595639
                   +2 :               0.00005365435045
              8 vec=     3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00002312887192
                2s
                   +0 :              -0.00024154637525
                3s
                   +0 :               0.00008974189883
                2p
                   -1 :              -0.00002589019372
                   +0 :              -0.00063997977730
                   +1 :               0.00000760638066
                3p
                   -1 :               0.00004888399716
                   +0 :               0.00027353945850
                   +1 :              -0.00000157684885
                3d
                   -2 :              -0.00000311990991
                   -1 :               0.00000639776427
                   +0 :               0.00000927490246
                   +1 :               0.00000542930499
                   +2 :               0.00000832967487
              9 vec=     3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003722817851
                2s
                   +0 :               0.00047634811831
                3s
                   +0 :              -0.00003097334973
                2p
                   -1 :              -0.00000903342000
                   +0 :              -0.00017342097061
                   +1 :              -0.00023461336153
                3p
                   -1 :               0.00005717526561
                   +0 :              -0.00002039470003
                   +1 :               0.00011918470837
                3d
                   -2 :               0.00000190542120
                   -1 :              -0.00000399789962
                   +0 :               0.00000464343840
                   +1 :               0.00000386705419
                   +2 :               0.00000361816703
             10 vec=     3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00031056408280
                2s
                   +0 :              -0.00267282009840
                3s
                   +0 :               0.00055068145061
                2p
                   -1 :              -0.00043258557369
                   +0 :              -0.00042838031183
                   +1 :              -0.00053493081352
                3p
                   -1 :               0.00036652171423
                   +0 :              -0.00007828095459
                   +1 :              -0.00009738768677
                3d
                   -2 :              -0.00001069189046
                   -1 :               0.00002870766287
                   +0 :              -0.00002527415144
                   +1 :              -0.00007133344631
                   +2 :              -0.00002906545277
             11 vec=    10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000854492748
                2s
                   +0 :               0.00001967617752
                3s
                   +0 :              -0.00006873191259
                2p
                   -1 :              -0.00004464315673
                   +0 :              -0.00008167512472
                   +1 :               0.00005137703837
                3p
                   -1 :              -0.00002033959823
                   +0 :               0.00007543507820
                   +1 :              -0.00012683132287
                3d
                   -2 :               0.00000003033533
                   -1 :               0.00000054964442
                   +0 :              -0.00000606911920
                   +1 :               0.00000831297157
                   +2 :              -0.00001741188158
             12 vec=    10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00004682191462
                2s
                   +0 :               0.00039587740200
                3s
                   +0 :              -0.00008080768147
                2p
                   -1 :              -0.00014196147093
                   +0 :               0.00008210435158
                   +1 :               0.00016295411543
                3p
                   -1 :               0.00003357040565
                   +0 :               0.00002873857705
                   +1 :              -0.00006833834363
                3d
                   -2 :              -0.00000545414786
                   -1 :              -0.00002228310577
                   +0 :               0.00000328431661
                   +1 :               0.00000843545063
                   +2 :              -0.00000042532341
             13 vec=    10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00005496611911
                2s
                   +0 :               0.00052688421191
                3s
                   +0 :              -0.00009762693414
                2p
                   -1 :              -0.00007548087775
                   +0 :              -0.00011921022740
                   +1 :               0.00014588955257
                3p
                   -1 :               0.00009445012836
                   +0 :              -0.00002700983584
                   +1 :              -0.00004256586366
                3d
                   -2 :               0.00000555450472
                   -1 :              -0.00001086566792
                   +0 :               0.00000551999869
                   +1 :               0.00000179232714
                   +2 :              -0.00000422773424
             14 vec=    10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00003312389910
                2s
                   +0 :               0.00033120114259
                3s
                   +0 :              -0.00005498558229
                2p
                   -1 :               0.00023318628174
                   +0 :               0.00019249814903
                   +1 :              -0.00000033388361
                3p
                   -1 :              -0.00006787577626
                   +0 :              -0.00007299606445
                   +1 :               0.00002011893358
                3d
                   -2 :               0.00000826236438
                   -1 :              -0.00000290706188
                   +0 :               0.00000611130362
                   +1 :               0.00000007330249
                   +2 :               0.00000411472323
             15 vec=   -12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001487616891
                2s
                   +0 :              -0.00006605042774
                3s
                   +0 :               0.00006534900559
                2p
                   -1 :              -0.00007947078133
                   +0 :               0.00006607171014
                   +1 :               0.00005820049999
                3p
                   -1 :               0.00000274885131
                   +0 :              -0.00006621898301
                   +1 :              -0.00005777148308
                3d
                   -2 :              -0.00000575957080
                   -1 :               0.00000030547704
                   +0 :               0.00000553813721
                   +1 :               0.00001284249806
                   +2 :               0.00000750922733
             16 vec=   -12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000266150900
                2s
                   +0 :               0.00014361849662
                3s
                   +0 :               0.00005136371472
                2p
                   -1 :               0.00007844310829
                   +0 :              -0.00004836038511
                   +1 :              -0.00022074231087
                3p
                   -1 :              -0.00007181316044
                   +0 :               0.00001087196856
                   +1 :               0.00010945221849
                3d
                   -2 :               0.00000824040134
                   -1 :              -0.00000954660058
                   +0 :               0.00000419107619
                   +1 :               0.00000427176436
                   +2 :              -0.00000940513062
             17 vec=    -4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002054964208
                2s
                   +0 :              -0.00029843998904
                3s
                   +0 :               0.00001045754934
                2p
                   -1 :               0.00017577151586
                   +0 :               0.00001362400490
                   +1 :               0.00004068650323
                3p
                   -1 :              -0.00007537725786
                   +0 :               0.00002503988983
                   +1 :              -0.00000771137459
                3d
                   -2 :               0.00000389289632
                   -1 :               0.00000505990623
                   +0 :              -0.00000264026262
                   +1 :               0.00000086331685
                   +2 :              -0.00000066512945
             18 vec=    -4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000901424073
                2s
                   +0 :               0.00006593988108
                3s
                   +0 :              -0.00002045992818
                2p
                   -1 :              -0.00000721803843
                   +0 :               0.00005098283696
                   +1 :               0.00002862529909
                3p
                   -1 :              -0.00002459425965
                   +0 :              -0.00005809256432
                   +1 :              -0.00000138510627
                3d
                   -2 :               0.00000002187630
                   -1 :              -0.00000268809636
                   +0 :               0.00000066515860
                   +1 :               0.00000016812296
                   +2 :              -0.00000117284497
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 21)  npairs=  14
              1 vec=    -2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003667171224
                2s
                   +0 :              -0.00048468996220
                3s
                   +0 :               0.00014195190687
                2p
                   -1 :              -0.00020148857273
                   +0 :               0.00022678461359
                   +1 :               0.00020166848286
                3p
                   -1 :               0.00007231933188
                   +0 :              -0.00010674937089
                   +1 :              -0.00000065244980
                3d
                   -2 :               0.00000618331608
                   -1 :               0.00001593796286
                   +0 :               0.00000862382797
                   +1 :               0.00000525914232
                   +2 :               0.00000011168851
              2 vec=    -2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00009673275508
                2s
                   +0 :               0.00089761841669
                3s
                   +0 :              -0.00023919276824
                2p
                   -1 :               0.00083552840454
                   +0 :               0.00060936943601
                   +1 :               0.00043448244692
                3p
                   -1 :              -0.00023239954296
                   +0 :              -0.00023271845531
                   +1 :              -0.00028973265777
                3d
                   -2 :               0.00001693827719
                   -1 :               0.00003131722700
                   +0 :              -0.00002745479932
                   +1 :              -0.00002442875922
                   +2 :              -0.00001851647914
              3 vec=     5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00004366422050
                2s
                   +0 :              -0.00077332167578
                3s
                   +0 :               0.00001163471207
                2p
                   -1 :              -0.00084998815271
                   +0 :               0.00063422745182
                   +1 :              -0.00091389993409
                3p
                   -1 :               0.00016186804567
                   +0 :              -0.00003059636266
                   +1 :               0.00029072419063
                3d
                   -2 :              -0.00002808815338
                   -1 :               0.00003848143097
                   +0 :              -0.00001200242091
                   +1 :               0.00004276646722
                   +2 :              -0.00002593468209
              4 vec=     5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00016442881108
                2s
                   +0 :               0.00103371596679
                3s
                   +0 :              -0.00044191963617
                2p
                   -1 :              -0.00099740457583
                   +0 :              -0.00011443103194
                   +1 :              -0.00001169153224
                3p
                   -1 :               0.00027913128074
                   +0 :              -0.00013290587623
                   +1 :              -0.00030173029990
                3d
                   -2 :               0.00000286756432
                   -1 :              -0.00003867075396
                   +0 :              -0.00003269623240
                   +1 :              -0.00006953638000
                   +2 :              -0.00002487519656
              5 vec=    -2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00016585725846
                2s
                   +0 :              -0.00150965277149
                3s
                   +0 :               0.00030230933990
                2p
                   -1 :               0.00038452452247
                   +0 :               0.00056424764421
                   +1 :               0.00017669035055
                3p
                   -1 :              -0.00006425485852
                   +0 :              -0.00002326210332
                   +1 :              -0.00014500723774
                3d
                   -2 :               0.00001915281468
                   -1 :              -0.00003158820479
                   +0 :              -0.00001796983109
                   +1 :               0.00002643414579
                   +2 :              -0.00000410609565
              6 vec=    -2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000620829934
                2s
                   +0 :               0.00000213829734
                3s
                   +0 :               0.00000752082926
                2p
                   -1 :               0.00000895204059
                   +0 :              -0.00014846739824
                   +1 :              -0.00008723364888
                3p
                   -1 :              -0.00003614076941
                   +0 :              -0.00001433715364
                   +1 :               0.00000173295723
                3d
                   -2 :               0.00000888201342
                   -1 :              -0.00000032292203
                   +0 :               0.00000802417685
                   +1 :              -0.00001271547729
                   +2 :               0.00000666787904
              7 vec=     5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00006458783989
                2s
                   +0 :               0.00054811603209
                3s
                   +0 :              -0.00013192019716
                2p
                   -1 :               0.00001912421988
                   +0 :              -0.00030648243752
                   +1 :              -0.00022741756082
                3p
                   -1 :              -0.00011394797689
                   +0 :               0.00017446874728
                   +1 :               0.00019685636496
                3d
                   -2 :              -0.00000798402904
                   -1 :               0.00001813261374
                   +0 :              -0.00003472729805
                   +1 :              -0.00001015608021
                   +2 :               0.00000625799454
              8 vec=     5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002918199616
                2s
                   +0 :              -0.00028267042820
                3s
                   +0 :               0.00006617131114
                2p
                   -1 :              -0.00030937241742
                   +0 :              -0.00010117142272
                   +1 :               0.00056272885410
                3p
                   -1 :               0.00010086092008
                   +0 :              -0.00019148886080
                   +1 :              -0.00037896071538
                3d
                   -2 :              -0.00006419754426
                   -1 :              -0.00004586083581
                   +0 :              -0.00004760611528
                   +1 :              -0.00002193931725
                   +2 :               0.00001249695778
              9 vec=   -10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000572057281
                2s
                   +0 :              -0.00003196976505
                3s
                   +0 :              -0.00006783678073
                2p
                   -1 :              -0.00016532012924
                   +0 :              -0.00006661137870
                   +1 :               0.00002973491274
                3p
                   -1 :               0.00011329743600
                   +0 :               0.00011089139849
                   +1 :               0.00000873337888
                3d
                   -2 :              -0.00000457423369
                   -1 :              -0.00000467522647
                   +0 :              -0.00001313812114
                   +1 :              -0.00000504161148
                   +2 :               0.00000402394822
             10 vec=   -10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00007156649676
                2s
                   +0 :               0.00059619358079
                3s
                   +0 :              -0.00014280841301
                2p
                   -1 :              -0.00022740526857
                   +0 :               0.00013490178463
                   +1 :              -0.00032275982435
                3p
                   -1 :               0.00008921246637
                   +0 :              -0.00004276262710
                   +1 :               0.00016607058641
                3d
                   -2 :               0.00001285653896
                   -1 :              -0.00000427240506
                   +0 :               0.00000693705198
                   +1 :              -0.00000930020127
                   +2 :               0.00000308708863
             11 vec=    -2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00004184948755
                2s
                   +0 :               0.00043147302186
                3s
                   +0 :              -0.00006137239795
                2p
                   -1 :               0.00012289590758
                   +0 :               0.00008034363034
                   +1 :               0.00021064728878
                3p
                   -1 :              -0.00008590342628
                   +0 :              -0.00017828785916
                   +1 :              -0.00018731249071
                3d
                   -2 :              -0.00001755864996
                   -1 :               0.00000691785956
                   +0 :               0.00001335368004
                   +1 :               0.00001367050691
                   +2 :               0.00000928959794
             12 vec=    -2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00016858219980
                2s
                   +0 :              -0.00171890307082
                3s
                   +0 :               0.00009557769028
                2p
                   -1 :               0.00041393221156
                   +0 :              -0.00026338878076
                   +1 :               0.00059159801793
                3p
                   -1 :              -0.00029086735726
                   +0 :              -0.00038092054099
                   +1 :               0.00014730435773
                3d
                   -2 :               0.00003101043023
                   -1 :              -0.00002309172992
                   +0 :              -0.00002158296741
                   +1 :               0.00011418880588
                   +2 :              -0.00004675719010
             13 vec=   -10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00006867427164
                2s
                   +0 :               0.00071973526266
                3s
                   +0 :              -0.00012796077946
                2p
                   -1 :               0.00013708900554
                   +0 :              -0.00039679753309
                   +1 :              -0.00022622651528
                3p
                   -1 :              -0.00006258728726
                   +0 :               0.00009906539286
                   +1 :               0.00009226703215
                3d
                   -2 :              -0.00001116257661
                   -1 :              -0.00000555451014
                   +0 :               0.00000606383341
                   +1 :               0.00000972557123
                   +2 :               0.00000580334115
             14 vec=   -10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00003934806195
                2s
                   +0 :               0.00050230235947
                3s
                   +0 :              -0.00005240686709
                2p
                   -1 :               0.00027671736574
                   +0 :               0.00000614611455
                   +1 :              -0.00016389288027
                3p
                   -1 :              -0.00007700014507
                   +0 :               0.00003379458558
                   +1 :               0.00001832462758
                3d
                   -2 :              -0.00000196927624
                   -1 :               0.00000421581627
                   +0 :              -0.00000477666595
                   +1 :               0.00000132766433
                   +2 :               0.00000524853819
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 22)  npairs=  12
              1 vec=    -4.767165     -0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00068500954972
                2s
                   +0 :               0.00163840581837
                3s
                   +0 :              -0.00162994508425
                2p
                   -1 :              -0.01196725816940
                   +0 :              -0.00121337864423
                   +1 :               0.00690718144560
                3p
                   -1 :              -0.00113228808785
                   +0 :               0.00127878646774
                   +1 :              -0.00343009067543
                3d
                   -2 :               0.00118242933808
                   -1 :               0.00001075633872
                   +0 :              -0.00064188037191
                   +1 :               0.00032843276237
                   +2 :               0.00022013223361
              2 vec=     3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00304516889854
                2s
                   +0 :              -0.05620700237897
                3s
                   +0 :               0.00421263971099
                2p
                   -1 :               0.02903181109218
                   +0 :              -0.00180911979478
                   +1 :              -0.02271715088906
                3p
                   -1 :               0.00111432918566
                   +0 :               0.00152503615678
                   +1 :              -0.00003240822425
                3d
                   -2 :               0.00256754264399
                   -1 :              -0.00093143344528
                   +0 :               0.00147362066667
                   +1 :              -0.00083474987915
                   +2 :               0.00108284438721
              3 vec=     3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00208328537272
                2s
                   +0 :               0.03933995929183
                3s
                   +0 :               0.00051134051775
                2p
                   -1 :               0.01589763174910
                   +0 :              -0.00318823939320
                   +1 :               0.00975760005714
                3p
                   -1 :               0.00181076302354
                   +0 :               0.00628650941594
                   +1 :               0.00396254916484
                3d
                   -2 :               0.00313876593881
                   -1 :               0.00002706104723
                   +0 :              -0.00174641841526
                   +1 :              -0.00043519692664
                   +2 :              -0.00007797611246
              4 vec=    -4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00051689678493
                2s
                   +0 :              -0.00644978879477
                3s
                   +0 :               0.00015204046362
                2p
                   -1 :               0.00988055553619
                   +0 :              -0.00013338539054
                   +1 :               0.00381802237759
                3p
                   -1 :              -0.00109417458709
                   +0 :               0.00026480170650
                   +1 :               0.00000697788149
                3d
                   -2 :              -0.00032149471975
                   -1 :              -0.00013130483052
                   +0 :               0.00008984610676
                   +1 :              -0.00014564696623
                   +2 :               0.00020093133737
              5 vec=    -4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00136192362314
                2s
                   +0 :               0.01195424863846
                3s
                   +0 :              -0.00230523035054
                2p
                   -1 :               0.00382577985925
                   +0 :               0.00184830364658
                   +1 :              -0.00653856882393
                3p
                   -1 :               0.00128405482325
                   +0 :              -0.00064512433190
                   +1 :               0.00273271743859
                3d
                   -2 :              -0.00026536855568
                   -1 :               0.00031325336191
                   +0 :              -0.00043445369624
                   +1 :              -0.00004467037293
                   +2 :              -0.00044176809312
              6 vec=    10.793160      0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00009300373738
                2s
                   +0 :               0.00128684707193
                3s
                   +0 :               0.00000873066616
                2p
                   -1 :              -0.00182760352767
                   +0 :               0.00051535761080
                   +1 :               0.00038924799618
                3p
                   -1 :               0.00062189047000
                   +0 :              -0.00047760426518
                   +1 :              -0.00016018098455
                3d
                   -2 :              -0.00002469006649
                   -1 :               0.00009725262141
                   +0 :              -0.00002320679737
                   +1 :               0.00001163292882
                   +2 :               0.00005887695344
              7 vec=   -12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00004370637212
                2s
                   +0 :              -0.00086083870004
                3s
                   +0 :               0.00004111547534
                2p
                   -1 :               0.00013108643369
                   +0 :              -0.00014120336279
                   +1 :               0.00113377890034
                3p
                   -1 :              -0.00024831628092
                   +0 :               0.00011124541572
                   +1 :              -0.00001468454440
                3d
                   -2 :               0.00001323912954
                   -1 :              -0.00001202267288
                   +0 :               0.00002026641100
                   +1 :              -0.00001983980540
                   +2 :              -0.00005599814775
              8 vec=   -12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00003082702842
                2s
                   +0 :               0.00068786887230
                3s
                   +0 :              -0.00000637417699
                2p
                   -1 :              -0.00007828934115
                   +0 :               0.00006250745813
                   +1 :              -0.00083030839026
                3p
                   -1 :               0.00009096583847
                   +0 :              -0.00015586705616
                   +1 :               0.00031419326600
                3d
                   -2 :              -0.00001092134439
                   -1 :              -0.00001148460484
                   +0 :              -0.00000492010299
                   +1 :               0.00001585183284
                   +2 :               0.00000204090433
              9 vec=     3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00008141951307
                2s
                   +0 :              -0.00107501430308
                3s
                   +0 :               0.00012172602156
                2p
                   -1 :               0.00079401215146
                   +0 :               0.00030556821498
                   +1 :               0.00006279796155
                3p
                   -1 :              -0.00010352018793
                   +0 :              -0.00030651008395
                   +1 :               0.00007681204850
                3d
                   -2 :              -0.00003827590783
                   -1 :              -0.00000624242920
                   +0 :               0.00001868486911
                   +1 :              -0.00000110393315
                   +2 :               0.00000720810624
             10 vec=     3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00009644823039
                2s
                   +0 :               0.00086536712887
                3s
                   +0 :              -0.00031143232036
                2p
                   -1 :               0.00051113396169
                   +0 :               0.00056663394760
                   +1 :              -0.00056228817649
                3p
                   -1 :              -0.00007656789907
                   +0 :               0.00004130474883
                   +1 :               0.00024533771335
                3d
                   -2 :               0.00001505983745
                   -1 :               0.00001356093667
                   +0 :              -0.00006804563333
                   +1 :              -0.00000385306673
                   +2 :              -0.00000441150584
             11 vec=    10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00006208215228
                2s
                   +0 :              -0.00069883254266
                3s
                   +0 :               0.00009141190454
                2p
                   -1 :               0.00012086157644
                   +0 :              -0.00027191136069
                   +1 :              -0.00057298477573
                3p
                   -1 :              -0.00012883180189
                   +0 :               0.00015349495290
                   +1 :               0.00015625245434
                3d
                   -2 :              -0.00003851363006
                   -1 :              -0.00002802181021
                   +0 :               0.00001662806319
                   +1 :               0.00000508117133
                   +2 :              -0.00000912138471
             12 vec=    10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00004166588590
                2s
                   +0 :               0.00048287277444
                3s
                   +0 :              -0.00002349869374
                2p
                   -1 :               0.00011405274403
                   +0 :               0.00008342694329
                   +1 :               0.00009515661159
                3p
                   -1 :              -0.00010761301785
                   +0 :               0.00009377424536
                   +1 :               0.00008801254390
                3d
                   -2 :              -0.00001822067705
                   -1 :               0.00003980046328
                   +0 :              -0.00006038047570
                   +1 :               0.00003428062711
                   +2 :               0.00000569626271
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 23)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00625792812917
                2s
                   +0 :              -0.09634928735858
                3s
                   +0 :               0.01018375692009
                2p
                   -1 :               0.93514751886243
                   +0 :              -0.00974505479365
                   +1 :              -0.00636704157271
                3p
                   -1 :              -0.05937518889105
                   +0 :               0.00187333162129
                   +1 :               0.00332830221796
                3d
                   -2 :              -0.00104962840061
                   -1 :              -0.00024243378149
                   +0 :               0.00106006559489
                   +1 :               0.00103902376040
                   +2 :               0.00116538691053
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00041061939692
                2s
                   +0 :              -0.00383542363613
                3s
                   +0 :               0.00080050034570
                2p
                   -1 :              -0.00253285206797
                   +0 :              -0.00028497240301
                   +1 :               0.00687866549240
                3p
                   -1 :               0.00018539163165
                   +0 :               0.00006858439038
                   +1 :              -0.00213099491675
                3d
                   -2 :               0.00009302260474
                   -1 :               0.00011482133766
                   +0 :              -0.00002184125545
                   +1 :               0.00001063763473
                   +2 :              -0.00018775306876
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00075267798252
                2s
                   +0 :               0.00538868851271
                3s
                   +0 :              -0.00200202879888
                2p
                   -1 :              -0.00252025344129
                   +0 :               0.00057762139469
                   +1 :              -0.00323610828820
                3p
                   -1 :               0.00026785812786
                   +0 :              -0.00031342809018
                   +1 :               0.00221811546732
                3d
                   -2 :               0.00021100772587
                   -1 :              -0.00004858195316
                   +0 :              -0.00002812779636
                   +1 :              -0.00000321519322
                   +2 :               0.00002842957182
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00025648871000
                2s
                   +0 :              -0.00219682503881
                3s
                   +0 :               0.00027062305756
                2p
                   -1 :               0.00288361478519
                   +0 :              -0.00018432166365
                   +1 :               0.00119137513610
                3p
                   -1 :              -0.00059758840746
                   +0 :              -0.00071351219556
                   +1 :              -0.00150089760862
                3d
                   -2 :               0.00018113949008
                   -1 :               0.00051212391930
                   +0 :               0.00053002896927
                   +1 :              -0.00004083697178
                   +2 :              -0.00011568659575
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00003605050962
                2s
                   +0 :               0.00056904131771
                3s
                   +0 :              -0.00043217905553
                2p
                   -1 :               0.00150711261247
                   +0 :               0.00123921629245
                   +1 :               0.00167307832867
                3p
                   -1 :              -0.00090235992167
                   +0 :               0.00061560912819
                   +1 :              -0.00049930399732
                3d
                   -2 :               0.00005644799095
                   -1 :               0.00027357097330
                   +0 :               0.00016644989391
                   +1 :              -0.00003768235656
                   +2 :               0.00015637502384
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00052249447379
                2s
                   +0 :              -0.00383510705077
                3s
                   +0 :               0.00144774660600
                2p
                   -1 :              -0.00297284440472
                   +0 :               0.00013790893190
                   +1 :              -0.00561346857554
                3p
                   -1 :               0.00085870128637
                   +0 :              -0.00038891452692
                   +1 :               0.00207638945130
                3d
                   -2 :               0.00007934281284
                   -1 :               0.00002598578017
                   +0 :              -0.00002095007562
                   +1 :               0.00001984782834
                   +2 :              -0.00013533609985
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00055501909880
                2s
                   +0 :               0.00435463071414
                3s
                   +0 :              -0.00028966343847
                2p
                   -1 :              -0.00015054256616
                   +0 :               0.00157954038302
                   +1 :               0.00045396286658
                3p
                   -1 :              -0.00195786445663
                   +0 :              -0.00092427940559
                   +1 :               0.00143427312649
                3d
                   -2 :              -0.00043508986346
                   -1 :              -0.00000709366674
                   +0 :              -0.00011717625971
                   +1 :               0.00030098026184
                   +2 :               0.00026633716952
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001168027296
                2s
                   +0 :               0.00014004262062
                3s
                   +0 :               0.00000391849399
                2p
                   -1 :              -0.00019135806806
                   +0 :              -0.00011887771062
                   +1 :               0.00005691770538
                3p
                   -1 :               0.00006388018627
                   +0 :               0.00008231756361
                   +1 :              -0.00006801097838
                3d
                   -2 :              -0.00001023910400
                   -1 :              -0.00000012180678
                   +0 :              -0.00000231516988
                   +1 :               0.00000682852283
                   +2 :               0.00000375171473
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00017754595853
                2s
                   +0 :              -0.00180341706705
                3s
                   +0 :               0.00027541218516
                2p
                   -1 :               0.00073749078322
                   +0 :               0.00013049735489
                   +1 :               0.00053394097482
                3p
                   -1 :               0.00009666785636
                   +0 :              -0.00004276230409
                   +1 :              -0.00004606574557
                3d
                   -2 :              -0.00003256446568
                   -1 :              -0.00001457227089
                   +0 :               0.00001605421515
                   +1 :              -0.00001331575870
                   +2 :               0.00004039015662
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00015229468704
                2s
                   +0 :               0.00174372886275
                3s
                   +0 :              -0.00021482545816
                2p
                   -1 :               0.00144185405652
                   +0 :               0.00006143639108
                   +1 :              -0.00130341257542
                3p
                   -1 :              -0.00018649543468
                   +0 :               0.00003855194807
                   +1 :               0.00036197468137
                3d
                   -2 :              -0.00006490796653
                   -1 :              -0.00002759252027
                   +0 :              -0.00002091915357
                   +1 :              -0.00000681941983
                   +2 :              -0.00002787388345
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00010224488479
                2s
                   +0 :              -0.00125304973955
                3s
                   +0 :               0.00007021683824
                2p
                   -1 :               0.00067221189047
                   +0 :               0.00011107894130
                   +1 :              -0.00040056842622
                3p
                   -1 :               0.00008358357080
                   +0 :              -0.00009561404237
                   +1 :               0.00009195531195
                3d
                   -2 :               0.00002737841976
                   -1 :              -0.00002547746961
                   +0 :               0.00003630220033
                   +1 :              -0.00001158403526
                   +2 :               0.00006822196249
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00016157413064
                2s
                   +0 :               0.00177205254430
                3s
                   +0 :              -0.00031243371902
                2p
                   -1 :               0.00171150009465
                   +0 :               0.00030670271888
                   +1 :               0.00120459300940
                3p
                   -1 :              -0.00047034826715
                   +0 :              -0.00016502507311
                   +1 :              -0.00056707015132
                3d
                   -2 :              -0.00000517219791
                   -1 :              -0.00005720398468
                   +0 :              -0.00000532340305
                   +1 :               0.00000345873468
                   +2 :              -0.00004000619440
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003098136324
                2s
                   +0 :               0.00038073267272
                3s
                   +0 :              -0.00004818639362
                2p
                   -1 :              -0.00014623127665
                   +0 :               0.00002909174779
                   +1 :               0.00006569743487
                3p
                   -1 :               0.00002909002982
                   +0 :              -0.00004465115095
                   +1 :               0.00005365147084
                3d
                   -2 :               0.00001073266246
                   -1 :              -0.00000093683886
                   +0 :              -0.00002286145254
                   +1 :              -0.00000729675695
                   +2 :               0.00001009726955
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001953184557
                2s
                   +0 :              -0.00021997659827
                3s
                   +0 :               0.00001310003715
                2p
                   -1 :               0.00005170885759
                   +0 :              -0.00003333841713
                   +1 :               0.00013273711394
                3p
                   -1 :               0.00002670486596
                   +0 :               0.00000498767967
                   +1 :              -0.00000662904202
                3d
                   -2 :              -0.00000609532510
                   -1 :              -0.00000284960417
                   +0 :               0.00000669909531
                   +1 :              -0.00000394854425
                   +2 :               0.00001095140536
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00003683198081
                2s
                   +0 :               0.00038365058342
                3s
                   +0 :              -0.00005515167393
                2p
                   -1 :               0.00011826255352
                   +0 :               0.00008326604401
                   +1 :              -0.00021775022489
                3p
                   -1 :              -0.00003509809126
                   +0 :              -0.00005395586634
                   +1 :               0.00005963513819
                3d
                   -2 :              -0.00000256463691
                   -1 :              -0.00000490248663
                   +0 :              -0.00000741777428
                   +1 :               0.00000455091278
                   +2 :              -0.00000124837256
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00005790739586
                2s
                   +0 :              -0.00058747510586
                3s
                   +0 :               0.00011404693516
                2p
                   -1 :               0.00026188771698
                   +0 :               0.00004537892547
                   +1 :               0.00004843666511
                3p
                   -1 :              -0.00004131281156
                   +0 :              -0.00003788725267
                   +1 :              -0.00004108397492
                3d
                   -2 :               0.00000364698514
                   -1 :               0.00001196386374
                   +0 :               0.00000325904571
                   +1 :              -0.00000295279037
                   +2 :              -0.00000126658273
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000903179374
                2s
                   +0 :               0.00008332889092
                3s
                   +0 :               0.00007264103070
                2p
                   -1 :               0.00029030377235
                   +0 :               0.00003982812150
                   +1 :              -0.00005636869313
                3p
                   -1 :              -0.00002367537305
                   +0 :               0.00001312430848
                   +1 :               0.00006074890440
                3d
                   -2 :               0.00000543361781
                   -1 :              -0.00000570949224
                   +0 :              -0.00000473281297
                   +1 :               0.00000442491936
                   +2 :              -0.00000649165172
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001652672088
                2s
                   +0 :              -0.00018846182194
                3s
                   +0 :               0.00001592829353
                2p
                   -1 :              -0.00002472730411
                   +0 :              -0.00002406453174
                   +1 :              -0.00011640329959
                3p
                   -1 :               0.00002707474764
                   +0 :              -0.00000506507468
                   +1 :              -0.00002014526642
                3d
                   -2 :               0.00000244140248
                   -1 :               0.00000052146177
                   +0 :               0.00001116215944
                   +1 :               0.00000183125996
                   +2 :              -0.00000263294578
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00004705109703
                2s
                   +0 :               0.00047018350780
                3s
                   +0 :              -0.00008118165681
                2p
                   -1 :               0.00032655863071
                   +0 :              -0.00002305026860
                   +1 :               0.00013719544891
                3p
                   -1 :              -0.00011546915295
                   +0 :               0.00002141902809
                   +1 :              -0.00002535007542
                3d
                   -2 :              -0.00000469637665
                   -1 :              -0.00000442483119
                   +0 :              -0.00000392474518
                   +1 :               0.00000222352872
                   +2 :              -0.00000320520429
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 24)  npairs=  12
              1 vec=    -2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00583926821528
                2s
                   +0 :              -0.11206564422064
                3s
                   +0 :               0.01154457845480
                2p
                   -1 :               0.05736366215213
                   +0 :              -0.00510962431247
                   +1 :               0.03031243615313
                3p
                   -1 :              -0.00829491412813
                   +0 :               0.00299973684409
                   +1 :               0.00206606033258
                3d
                   -2 :              -0.00423602588436
                   -1 :              -0.00028797355852
                   +0 :               0.00278371526700
                   +1 :               0.00119968318295
                   +2 :              -0.00004603836925
              2 vec=    -2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00212963954312
                2s
                   +0 :               0.04124692910352
                3s
                   +0 :               0.00084898758380
                2p
                   -1 :               0.01822760242203
                   +0 :               0.00333238095344
                   +1 :              -0.00498180832835
                3p
                   -1 :               0.00307525453291
                   +0 :               0.00074201034356
                   +1 :              -0.00600102326220
                3d
                   -2 :              -0.00325594846837
                   -1 :              -0.00115566867571
                   +0 :              -0.00145959989275
                   +1 :               0.00001358249589
                   +2 :              -0.00046615879095
              3 vec=     5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00129317243412
                2s
                   +0 :               0.00842961950716
                3s
                   +0 :              -0.00434431208170
                2p
                   -1 :              -0.00804428582467
                   +0 :              -0.00475700520398
                   +1 :               0.00701144944710
                3p
                   -1 :               0.00039800433622
                   +0 :               0.00399935476537
                   +1 :              -0.00569097178568
                3d
                   -2 :              -0.00100398053705
                   -1 :              -0.00000828537514
                   +0 :               0.00009123040226
                   +1 :              -0.00010791334541
                   +2 :              -0.00016058030443
              4 vec=   -10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00000182651507
                2s
                   +0 :               0.00050380733138
                3s
                   +0 :               0.00016218893137
                2p
                   -1 :              -0.00117378675803
                   +0 :               0.00028308493920
                   +1 :               0.00044074579341
                3p
                   -1 :               0.00012900471858
                   +0 :              -0.00028981702072
                   +1 :              -0.00010077792649
                3d
                   -2 :              -0.00005896449461
                   -1 :               0.00001724359564
                   +0 :               0.00004841603656
                   +1 :               0.00005888146404
                   +2 :              -0.00003747337593
              5 vec=     5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00096886427828
                2s
                   +0 :              -0.00867321132337
                3s
                   +0 :               0.00219334819424
                2p
                   -1 :               0.00951060640441
                   +0 :               0.00058645533572
                   +1 :              -0.00422395371143
                3p
                   -1 :              -0.00253088442058
                   +0 :              -0.00040316724454
                   +1 :              -0.00002143721415
                3d
                   -2 :               0.00022748509274
                   -1 :              -0.00009687987919
                   +0 :               0.00011329386953
                   +1 :               0.00020393049902
                   +2 :               0.00003080161855
              6 vec=     5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00114915406234
                2s
                   +0 :               0.01007641203077
                3s
                   +0 :              -0.00254629367110
                2p
                   -1 :               0.00506302801330
                   +0 :               0.00245235929011
                   +1 :               0.00380074452061
                3p
                   -1 :              -0.00077653832683
                   +0 :              -0.00171783783841
                   +1 :              -0.00137315524211
                3d
                   -2 :               0.00017385626304
                   -1 :               0.00003382121664
                   +0 :              -0.00012696818221
                   +1 :              -0.00014675387961
                   +2 :              -0.00015883515295
              7 vec=   -10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00002563406755
                2s
                   +0 :              -0.00050761757790
                3s
                   +0 :              -0.00002850660320
                2p
                   -1 :              -0.00009594024323
                   +0 :               0.00010231754904
                   +1 :               0.00020958049470
                3p
                   -1 :               0.00012977691043
                   +0 :              -0.00019640752190
                   +1 :               0.00004043776996
                3d
                   -2 :               0.00003235272895
                   -1 :              -0.00001685397659
                   +0 :               0.00004145563795
                   +1 :              -0.00000777316330
                   +2 :               0.00001051191183
              8 vec=    -2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00007091035599
                2s
                   +0 :              -0.00114231599960
                3s
                   +0 :               0.00000726169263
                2p
                   -1 :               0.00082364238110
                   +0 :               0.00036665254781
                   +1 :              -0.00101885958496
                3p
                   -1 :              -0.00004902221380
                   +0 :              -0.00030367982865
                   +1 :               0.00028384036438
                3d
                   -2 :               0.00001571720922
                   -1 :               0.00002192778020
                   +0 :               0.00005085550749
                   +1 :               0.00001651720656
                   +2 :              -0.00000925998815
              9 vec=   -10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000041123397
                2s
                   +0 :               0.00022149727484
                3s
                   +0 :               0.00012500452743
                2p
                   -1 :              -0.00011066004633
                   +0 :               0.00022960291513
                   +1 :              -0.00033677868722
                3p
                   -1 :              -0.00000270801619
                   +0 :              -0.00001276072486
                   +1 :              -0.00003872563177
                3d
                   -2 :               0.00001663505393
                   -1 :               0.00000191696417
                   +0 :              -0.00007193390722
                   +1 :              -0.00004592261849
                   +2 :               0.00003464523365
             10 vec=    13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00003770504234
                2s
                   +0 :              -0.00039785576414
                3s
                   +0 :               0.00009776471725
                2p
                   -1 :              -0.00007706533268
                   +0 :               0.00000242888886
                   +1 :              -0.00057390341692
                3p
                   -1 :              -0.00021833145559
                   +0 :              -0.00003112682721
                   +1 :               0.00000455419357
                3d
                   -2 :              -0.00002691604649
                   -1 :               0.00000614242017
                   +0 :               0.00001514604358
                   +1 :               0.00000308033793
                   +2 :              -0.00006558810029
             11 vec=    -2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00010610713414
                2s
                   +0 :               0.00108420200887
                3s
                   +0 :              -0.00027440162954
                2p
                   -1 :               0.00132607060048
                   +0 :               0.00034587633916
                   +1 :               0.00115803565593
                3p
                   -1 :              -0.00070763963756
                   +0 :               0.00002462657834
                   +1 :              -0.00057884576037
                3d
                   -2 :              -0.00001304728783
                   -1 :              -0.00000924597375
                   +0 :              -0.00002507067455
                   +1 :               0.00000460915991
                   +2 :               0.00001312738212
             12 vec=    13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00015904950654
                2s
                   +0 :               0.00167947751397
                3s
                   +0 :              -0.00025755588074
                2p
                   -1 :               0.00008707481117
                   +0 :               0.00007900677731
                   +1 :               0.00112828127962
                3p
                   -1 :               0.00005962232821
                   +0 :              -0.00008106432513
                   +1 :              -0.00013250115546
                3d
                   -2 :               0.00001406021914
                   -1 :               0.00000539687729
                   +0 :              -0.00000313165726
                   +1 :              -0.00003413552147
                   +2 :               0.00003706870625
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 25)  npairs=  14
              1 vec=    -2.593388      1.739555     -4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00273671281877
                2s
                   +0 :               0.03304429718041
                3s
                   +0 :              -0.00572540898680
                2p
                   -1 :               0.00113935166036
                   +0 :              -0.01167773963036
                   +1 :              -0.01198895119392
                3p
                   -1 :              -0.00300485727070
                   +0 :              -0.00185489669248
                   +1 :               0.00216697228319
                3d
                   -2 :               0.00018724913956
                   -1 :               0.00074955273360
                   +0 :               0.00149187131119
                   +1 :               0.00170899032258
                   +2 :               0.00094761040281
              2 vec=     5.186775     -2.752324     -4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00080323702453
                2s
                   +0 :              -0.00634370926651
                3s
                   +0 :               0.00313589698446
                2p
                   -1 :               0.00421200351534
                   +0 :               0.00547871980601
                   +1 :              -0.00356961336550
                3p
                   -1 :              -0.00372544915137
                   +0 :              -0.00383402338749
                   +1 :               0.00187787420418
                3d
                   -2 :              -0.00010419008969
                   -1 :               0.00043068527346
                   +0 :               0.00028033694218
                   +1 :              -0.00042604086848
                   +2 :              -0.00004973343833
              3 vec=    -2.593388     -7.244203     -4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00009874894403
                2s
                   +0 :              -0.00153499745240
                3s
                   +0 :              -0.00033556421932
                2p
                   -1 :               0.00234378611027
                   +0 :               0.00300390284207
                   +1 :               0.00064861004544
                3p
                   -1 :              -0.00076882963633
                   +0 :              -0.00015036828543
                   +1 :              -0.00101157184584
                3d
                   -2 :               0.00012795974510
                   -1 :               0.00002489736256
                   +0 :              -0.00016903384765
                   +1 :               0.00019371183274
                   +2 :              -0.00013602972647
              4 vec=     5.186775      6.231434     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00087972831103
                2s
                   +0 :               0.00776486105377
                3s
                   +0 :              -0.00153130892059
                2p
                   -1 :              -0.00124181716057
                   +0 :              -0.00352107990521
                   +1 :               0.00209978089895
                3p
                   -1 :               0.00093054768056
                   +0 :               0.00032066486801
                   +1 :              -0.00126322122552
                3d
                   -2 :               0.00015107118897
                   -1 :              -0.00015424771585
                   +0 :               0.00024132457460
                   +1 :              -0.00025443236275
                   +2 :              -0.00002437433522
              5 vec=   -10.373550     -2.752324     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00011168685863
                2s
                   +0 :               0.00045174904173
                3s
                   +0 :              -0.00022920050519
                2p
                   -1 :              -0.00085130449185
                   +0 :               0.00067872856122
                   +1 :              -0.00045728484386
                3p
                   -1 :               0.00035541273850
                   +0 :              -0.00061348249733
                   +1 :               0.00035216383093
                3d
                   -2 :               0.00002709790822
                   -1 :               0.00004457297412
                   +0 :              -0.00007478138433
                   +1 :               0.00005729900004
                   +2 :               0.00001112050339
              6 vec=    -2.593388     10.723313     -4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00008377036835
                2s
                   +0 :               0.00120194731957
                3s
                   +0 :              -0.00000390833690
                2p
                   -1 :               0.00108497862503
                   +0 :              -0.00105944821548
                   +1 :               0.00039536798216
                3p
                   -1 :              -0.00031953410750
                   +0 :               0.00069768637386
                   +1 :              -0.00028494046598
                3d
                   -2 :              -0.00007023767797
                   -1 :              -0.00001992216051
                   +0 :              -0.00010082124279
                   +1 :              -0.00001558077978
                   +2 :              -0.00006293311424
              7 vec=   -10.373550      6.231434     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00017108907650
                2s
                   +0 :               0.00145533496993
                3s
                   +0 :              -0.00040204729149
                2p
                   -1 :              -0.00000198291880
                   +0 :               0.00031325712011
                   +1 :              -0.00031679229817
                3p
                   -1 :               0.00002085442870
                   +0 :              -0.00022948232414
                   +1 :               0.00000245141424
                3d
                   -2 :              -0.00001290175304
                   -1 :              -0.00001000916868
                   +0 :               0.00000940173243
                   +1 :              -0.00002923885033
                   +2 :               0.00001242851065
              8 vec=     5.186775    -11.736082     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00006528505183
                2s
                   +0 :              -0.00115410944276
                3s
                   +0 :              -0.00001421539763
                2p
                   -1 :               0.00014484288459
                   +0 :               0.00015603230228
                   +1 :               0.00015206435878
                3p
                   -1 :               0.00020064747674
                   +0 :               0.00024642833926
                   +1 :              -0.00016459488688
                3d
                   -2 :               0.00001407312080
                   -1 :              -0.00002406583151
                   +0 :              -0.00002844591061
                   +1 :              -0.00001182604452
                   +2 :               0.00001101779189
              9 vec=    12.966938      1.739555     -4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00011757202993
                2s
                   +0 :               0.00109184194638
                3s
                   +0 :              -0.00025507209706
                2p
                   -1 :              -0.00017037350772
                   +0 :              -0.00013291203023
                   +1 :               0.00034524785196
                3p
                   -1 :               0.00003030535597
                   +0 :              -0.00000452365922
                   +1 :              -0.00006982062557
                3d
                   -2 :               0.00002091042103
                   -1 :               0.00001723649116
                   +0 :               0.00000061747683
                   +1 :               0.00000230279030
                   +2 :              -0.00000305113569
             10 vec=    12.966938     -7.244203     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00003159444038
                2s
                   +0 :              -0.00027579166979
                3s
                   +0 :               0.00004066818590
                2p
                   -1 :              -0.00009458668702
                   +0 :               0.00012824745394
                   +1 :              -0.00014619601483
                3p
                   -1 :               0.00004476421670
                   +0 :              -0.00008013599371
                   +1 :               0.00001354041196
                3d
                   -2 :               0.00000162932628
                   -1 :               0.00000879192725
                   +0 :              -0.00000525520090
                   +1 :              -0.00000739743020
                   +2 :               0.00000531617986
             11 vec=   -10.373550    -11.736082     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00006499258040
                2s
                   +0 :              -0.00058502392457
                3s
                   +0 :               0.00011231796339
                2p
                   -1 :               0.00021811591408
                   +0 :              -0.00011397878239
                   +1 :               0.00034645575847
                3p
                   -1 :              -0.00009784560390
                   +0 :               0.00015871353205
                   +1 :              -0.00010595212895
                3d
                   -2 :               0.00000248057238
                   -1 :              -0.00001174353364
                   +0 :               0.00000736826254
                   +1 :              -0.00001196349417
                   +2 :               0.00000405037574
             12 vec=     5.186775     15.215192     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00002342471120
                2s
                   +0 :               0.00030430403774
                3s
                   +0 :              -0.00005448080531
                2p
                   -1 :              -0.00007510084223
                   +0 :               0.00016109927431
                   +1 :              -0.00005223084933
                3p
                   -1 :               0.00021183393236
                   +0 :              -0.00009367874696
                   +1 :               0.00001250929084
                3d
                   -2 :               0.00001852485583
                   -1 :               0.00001763673434
                   +0 :              -0.00001664404917
                   +1 :               0.00000614836226
                   +2 :              -0.00000719046214
             13 vec=    -2.593388    -16.227961     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00004202326508
                2s
                   +0 :              -0.00042462059189
                3s
                   +0 :               0.00004542685319
                2p
                   -1 :               0.00009293942793
                   +0 :              -0.00008722682035
                   +1 :               0.00005391278544
                3p
                   -1 :               0.00004311490370
                   +0 :               0.00010172072652
                   +1 :              -0.00005068498948
                3d
                   -2 :              -0.00000169404210
                   -1 :              -0.00001338490704
                   +0 :              -0.00000526559183
                   +1 :              -0.00000117325727
                   +2 :               0.00000809544298
             14 vec=    12.966938     10.723313     -4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000211976736
                2s
                   +0 :               0.00014506502689
                3s
                   +0 :               0.00003680470744
                2p
                   -1 :              -0.00006643764837
                   +0 :               0.00011035996581
                   +1 :               0.00006547109653
                3p
                   -1 :               0.00010047656612
                   +0 :              -0.00003177688319
                   +1 :               0.00001212561861
                3d
                   -2 :               0.00000335135651
                   -1 :               0.00000542993411
                   +0 :              -0.00000768698168
                   +1 :               0.00000856590935
                   +2 :              -0.00000002530541
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 26)  npairs=  14
              1 vec=     0.419610     -2.752324     -4.091257   |vec|=    4.948711
                1s
                   +0 :               0.00308708147427
                2s
                   +0 :              -0.06537739197228
                3s
                   +0 :               0.00551347793841
                2p
                   -1 :               0.01397913986702
                   +0 :               0.04269298557127
                   +1 :              -0.00144791282583
                3p
                   -1 :              -0.00190766864475
                   +0 :              -0.00551857987151
                   +1 :               0.00013269449008
                3d
                   -2 :               0.00032998699627
                   -1 :              -0.00081584477853
                   +0 :              -0.00216147639975
                   +1 :              -0.00022947966228
                   +2 :               0.00072030783332
              2 vec=     0.419610      6.231434     -4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00009261801090
                2s
                   +0 :               0.00248489221587
                3s
                   +0 :              -0.00011566006124
                2p
                   -1 :               0.00450175920896
                   +0 :               0.00233102178543
                   +1 :              -0.00341662781885
                3p
                   -1 :              -0.00232775344662
                   +0 :              -0.00426733276203
                   +1 :               0.00338020664789
                3d
                   -2 :              -0.00007313992403
                   -1 :               0.00024614998784
                   +0 :               0.00045229538157
                   +1 :               0.00008588228641
                   +2 :               0.00031507357432
              3 vec=    -7.360553      1.739555     -4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00028423717109
                2s
                   +0 :              -0.00195894004402
                3s
                   +0 :               0.00134176671081
                2p
                   -1 :              -0.00182659668784
                   +0 :               0.00494770237756
                   +1 :               0.00055745604370
                3p
                   -1 :               0.00099658318478
                   +0 :              -0.00274831487654
                   +1 :              -0.00106595007859
                3d
                   -2 :              -0.00012762482516
                   -1 :              -0.00004883408454
                   +0 :              -0.00009916087630
                   +1 :               0.00027375469907
                   +2 :               0.00010906472314
              4 vec=     8.199773      1.739555     -4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00002730008814
                2s
                   +0 :               0.00043729722169
                3s
                   +0 :               0.00038991731785
                2p
                   -1 :              -0.00208230156986
                   +0 :              -0.00071736154592
                   +1 :              -0.00065387629093
                3p
                   -1 :               0.00157506687493
                   +0 :               0.00084245041071
                   +1 :               0.00116510175913
                3d
                   -2 :               0.00009935388115
                   -1 :              -0.00004919030168
                   +0 :              -0.00008507828227
                   +1 :               0.00005184733993
                   +2 :               0.00005764579552
              5 vec=    -7.360553     -7.244203     -4.091257   |vec|=   11.108312
                1s
                   +0 :              -0.00013985346580
                2s
                   +0 :              -0.00000749134233
                3s
                   +0 :              -0.00058717550260
                2p
                   -1 :               0.00025427816045
                   +0 :               0.00059658018497
                   +1 :               0.00005186199246
                3p
                   -1 :               0.00001614078268
                   +0 :               0.00003419202533
                   +1 :               0.00075650884760
                3d
                   -2 :              -0.00003960401523
                   -1 :               0.00003099324481
                   +0 :               0.00004478754165
                   +1 :              -0.00004804262975
                   +2 :              -0.00005639008297
              6 vec=     8.199773     -7.244203     -4.091257   |vec|=   11.681316
                1s
                   +0 :              -0.00006342632805
                2s
                   +0 :              -0.00001576526088
                3s
                   +0 :              -0.00015750822337
                2p
                   -1 :               0.00009862619825
                   +0 :              -0.00051404254416
                   +1 :               0.00048304425972
                3p
                   -1 :              -0.00011879664189
                   +0 :               0.00042475473818
                   +1 :              -0.00084045733552
                3d
                   -2 :               0.00004131807486
                   -1 :               0.00000367515300
                   +0 :               0.00009632946255
                   +1 :              -0.00004650995656
                   +2 :              -0.00002131405142
              7 vec=     0.419610    -11.736082     -4.091257   |vec|=   12.435838
                1s
                   +0 :              -0.00010470750190
                2s
                   +0 :               0.00024967027232
                3s
                   +0 :              -0.00047752415976
                2p
                   -1 :               0.00004709254711
                   +0 :              -0.00039959549182
                   +1 :               0.00031555899924
                3p
                   -1 :               0.00012167710212
                   +0 :               0.00007489576681
                   +1 :              -0.00024401184079
                3d
                   -2 :               0.00000741983115
                   -1 :               0.00008063183206
                   +0 :               0.00002909717255
                   +1 :              -0.00001812583387
                   +2 :               0.00000028515545
              8 vec=    -7.360553     10.723313     -4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00005701123538
                2s
                   +0 :               0.00107312129638
                3s
                   +0 :               0.00006515083179
                2p
                   -1 :               0.00012486410449
                   +0 :              -0.00066122516273
                   +1 :              -0.00013492440727
                3p
                   -1 :               0.00005379570905
                   +0 :               0.00011628119129
                   +1 :              -0.00020892661651
                3d
                   -2 :              -0.00002019096434
                   -1 :               0.00001898909446
                   +0 :               0.00002906279124
                   +1 :               0.00004628549583
                   +2 :               0.00000139552746
              9 vec=     8.199773     10.723313     -4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00015812816105
                2s
                   +0 :               0.00151781173253
                3s
                   +0 :              -0.00031141978645
                2p
                   -1 :               0.00033446646447
                   +0 :              -0.00018319116772
                   +1 :               0.00055981581738
                3p
                   -1 :              -0.00008785783497
                   +0 :               0.00007641804656
                   +1 :              -0.00023192616277
                3d
                   -2 :              -0.00002823991720
                   -1 :               0.00000572274284
                   +0 :              -0.00000621167637
                   +1 :               0.00003267638950
                   +2 :              -0.00000099636234
             10 vec=     0.419610     15.215192     -4.091257   |vec|=   15.761235
                1s
                   +0 :              -0.00001202957134
                2s
                   +0 :               0.00021674373945
                3s
                   +0 :               0.00000753719455
                2p
                   -1 :               0.00006389214570
                   +0 :               0.00009235180227
                   +1 :              -0.00015594065997
                3p
                   -1 :               0.00003369970301
                   +0 :              -0.00001549233804
                   +1 :               0.00016986236060
                3d
                   -2 :               0.00000785941290
                   -1 :               0.00001423049061
                   +0 :               0.00000529554957
                   +1 :              -0.00000944122759
                   +2 :              -0.00001329045031
             11 vec=   -15.140715     -2.752324     -4.091257   |vec|=   15.923408
                1s
                   +0 :               0.00002862102754
                2s
                   +0 :              -0.00016886621027
                3s
                   +0 :               0.00006583786218
                2p
                   -1 :              -0.00013776206741
                   +0 :               0.00012777516297
                   +1 :               0.00005812382361
                3p
                   -1 :               0.00003788637736
                   +0 :              -0.00007837533101
                   +1 :              -0.00001676640126
                3d
                   -2 :              -0.00000595101658
                   -1 :               0.00000740390076
                   +0 :              -0.00000199020828
                   +1 :               0.00001608422151
                   +2 :              -0.00000129071944
             12 vec=    15.979935     -2.752324     -4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00001442782096
                2s
                   +0 :               0.00012126756092
                3s
                   +0 :              -0.00003615508414
                2p
                   -1 :              -0.00023303392737
                   +0 :               0.00003252588659
                   +1 :              -0.00005190581309
                3p
                   -1 :               0.00011507108731
                   +0 :              -0.00002329331161
                   +1 :               0.00003993803105
                3d
                   -2 :               0.00000240132827
                   -1 :               0.00000297987934
                   +0 :              -0.00000093971089
                   +1 :              -0.00000168364443
                   +2 :              -0.00000042987557
             13 vec=   -15.140715      6.231434     -4.091257   |vec|=   16.876327
                1s
                   +0 :              -0.00005028242065
                2s
                   +0 :               0.00050558740235
                3s
                   +0 :              -0.00010139963556
                2p
                   -1 :              -0.00002540971651
                   +0 :              -0.00007744550652
                   +1 :              -0.00034449445591
                3p
                   -1 :               0.00004323075215
                   +0 :              -0.00000612996645
                   +1 :               0.00018757335670
                3d
                   -2 :              -0.00000877756166
                   -1 :              -0.00000522984143
                   +0 :               0.00000720410623
                   +1 :               0.00001376356437
                   +2 :               0.00000201495181
             14 vec=    15.979935      6.231434     -4.091257   |vec|=   17.633136
                1s
                   +0 :              -0.00005433226027
                2s
                   +0 :               0.00052964431709
                3s
                   +0 :              -0.00010169176783
                2p
                   -1 :               0.00007240405671
                   +0 :              -0.00014093784620
                   +1 :               0.00019103739108
                3p
                   -1 :              -0.00004153324408
                   +0 :               0.00006870884131
                   +1 :              -0.00007189337507
                3d
                   -2 :              -0.00000823516701
                   -1 :              -0.00000793419319
                   +0 :               0.00000196419008
                   +1 :               0.00000315983305
                   +2 :              -0.00000435990171
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 27)  npairs=  14
              1 vec=     2.803193      1.376162     -4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00222482311901
                2s
                   +0 :               0.02752158654657
                3s
                   +0 :              -0.00535758065087
                2p
                   -1 :               0.00309559179348
                   +0 :              -0.01349988351130
                   +1 :               0.01251656695565
                3p
                   -1 :              -0.00631557193308
                   +0 :               0.00220640627789
                   +1 :              -0.00355158418277
                3d
                   -2 :              -0.00043396062897
                   -1 :               0.00128518284676
                   +0 :               0.00064606354089
                   +1 :              -0.00133717664014
                   +2 :               0.00085166560139
              2 vec=    -4.976970     -3.115717     -4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00051425332280
                2s
                   +0 :              -0.00373889465925
                3s
                   +0 :               0.00134826231439
                2p
                   -1 :               0.00620302008421
                   +0 :              -0.00018265751352
                   +1 :               0.00129174731395
                3p
                   -1 :              -0.00581084943320
                   +0 :               0.00115680742999
                   +1 :              -0.00011779519767
                3d
                   -2 :               0.00015649984448
                   -1 :               0.00008338341598
                   +0 :              -0.00013721081985
                   +1 :               0.00006961414673
                   +2 :              -0.00000410094225
              3 vec=    -4.976970      5.868041     -4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00060679325538
                2s
                   +0 :               0.00572651505392
                3s
                   +0 :              -0.00103364332224
                2p
                   -1 :               0.00091724896743
                   +0 :              -0.00375322615426
                   +1 :              -0.00075305603555
                3p
                   -1 :              -0.00116489373617
                   +0 :               0.00166679115158
                   +1 :               0.00010313023193
                3d
                   -2 :               0.00005930397264
                   -1 :               0.00009639198770
                   +0 :               0.00017708832616
                   +1 :               0.00015108022457
                   +2 :               0.00018207435452
              4 vec=     2.803193     -7.607596     -4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00032361676017
                2s
                   +0 :              -0.00255714456696
                3s
                   +0 :               0.00054718579901
                2p
                   -1 :               0.00230783937309
                   +0 :               0.00216915769541
                   +1 :              -0.00045719928864
                3p
                   -1 :              -0.00088620655345
                   +0 :              -0.00161312367434
                   +1 :               0.00037091631071
                3d
                   -2 :              -0.00002915879169
                   -1 :               0.00009993441156
                   +0 :               0.00003943473743
                   +1 :              -0.00000867272841
                   +2 :              -0.00002679840878
              5 vec=     2.803193     10.359920     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00012511074957
                2s
                   +0 :               0.00163952504330
                3s
                   +0 :              -0.00033374474744
                2p
                   -1 :               0.00170655810184
                   +0 :              -0.00022126889595
                   +1 :               0.00001102793002
                3p
                   -1 :              -0.00088639252492
                   +0 :               0.00003297015361
                   +1 :              -0.00007711112630
                3d
                   -2 :               0.00001774792685
                   -1 :              -0.00007434361121
                   +0 :               0.00005151719871
                   +1 :              -0.00008217728315
                   +2 :               0.00003699466955
              6 vec=    10.583355     -3.115717     -4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00002882050411
                2s
                   +0 :              -0.00005978536272
                3s
                   +0 :              -0.00001782692363
                2p
                   -1 :              -0.00025315992034
                   +0 :               0.00074411083286
                   +1 :              -0.00005859917849
                3p
                   -1 :              -0.00012619002286
                   +0 :              -0.00061333206650
                   +1 :              -0.00003302846372
                3d
                   -2 :              -0.00001363235592
                   -1 :               0.00004635741492
                   +0 :              -0.00008992034336
                   +1 :              -0.00004137702748
                   +2 :              -0.00001392968324
              7 vec=    10.583355      5.868041     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00009964628963
                2s
                   +0 :               0.00130163448518
                3s
                   +0 :              -0.00012044719816
                2p
                   -1 :               0.00044804192767
                   +0 :              -0.00040714096873
                   +1 :               0.00020601466322
                3p
                   -1 :              -0.00022515795036
                   +0 :               0.00024213677477
                   +1 :               0.00006111905280
                3d
                   -2 :               0.00000647649267
                   -1 :              -0.00002355423086
                   +0 :              -0.00000854880888
                   +1 :               0.00003463785295
                   +2 :               0.00003045655615
              8 vec=   -12.757133      1.376162     -4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00008401556730
                2s
                   +0 :               0.00068006653733
                3s
                   +0 :              -0.00018379481415
                2p
                   -1 :              -0.00054989159524
                   +0 :              -0.00019408978362
                   +1 :              -0.00014401497320
                3p
                   -1 :               0.00041134311190
                   +0 :               0.00010437340912
                   +1 :              -0.00001408933857
                3d
                   -2 :              -0.00004047834927
                   -1 :               0.00002193571510
                   +0 :               0.00001203819765
                   +1 :              -0.00001229334185
                   +2 :               0.00001741189591
              9 vec=    -4.976970    -12.099475     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00010580645796
                2s
                   +0 :              -0.00133707492697
                3s
                   +0 :               0.00008744678682
                2p
                   -1 :               0.00002930746811
                   +0 :               0.00049518443800
                   +1 :               0.00009742183816
                3p
                   -1 :               0.00028217928743
                   +0 :              -0.00004957998401
                   +1 :              -0.00006843186524
                3d
                   -2 :              -0.00000378563624
                   -1 :              -0.00001349725596
                   +0 :              -0.00002254542680
                   +1 :               0.00002797259870
                   +2 :               0.00000801332752
             10 vec=   -12.757133     -7.607596     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00003717542261
                2s
                   +0 :              -0.00033077131831
                3s
                   +0 :               0.00004843157371
                2p
                   -1 :               0.00010302066326
                   +0 :               0.00001030490958
                   +1 :               0.00019981514800
                3p
                   -1 :              -0.00012197070894
                   +0 :              -0.00001429553781
                   +1 :              -0.00002515034754
                3d
                   -2 :               0.00001557275445
                   -1 :              -0.00000447798374
                   +0 :              -0.00001212343465
                   +1 :               0.00001184502472
                   +2 :              -0.00001113695814
             11 vec=    -4.976970     14.851799     -4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00002219118523
                2s
                   +0 :               0.00038322501014
                3s
                   +0 :              -0.00001528062706
                2p
                   -1 :               0.00025592333998
                   +0 :               0.00006365286071
                   +1 :               0.00005026266582
                3p
                   -1 :               0.00001348818645
                   +0 :              -0.00008461981042
                   +1 :              -0.00003735142379
                3d
                   -2 :               0.00000101964487
                   -1 :              -0.00000446520233
                   +0 :              -0.00002092000483
                   +1 :              -0.00002118491143
                   +2 :               0.00000027726332
             12 vec=    10.583355    -12.099475     -4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00004774220018
                2s
                   +0 :              -0.00042587087905
                3s
                   +0 :               0.00008316652496
                2p
                   -1 :               0.00010000113898
                   +0 :              -0.00018040842966
                   +1 :              -0.00025045247158
                3p
                   -1 :              -0.00001238691307
                   +0 :               0.00022081682934
                   +1 :               0.00006796390093
                3d
                   -2 :              -0.00000717149657
                   -1 :               0.00000151214349
                   +0 :               0.00000126934412
                   +1 :               0.00001619472366
                   +2 :              -0.00000464254555
             13 vec=   -12.757133     10.359920     -4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00002534431427
                2s
                   +0 :               0.00026294649664
                3s
                   +0 :              -0.00003626651691
                2p
                   -1 :               0.00019030377861
                   +0 :               0.00004190788611
                   +1 :               0.00000298770678
                3p
                   -1 :              -0.00011419595339
                   +0 :              -0.00001939207006
                   +1 :              -0.00004131427775
                3d
                   -2 :              -0.00000462733920
                   -1 :              -0.00000037314680
                   +0 :               0.00000453126170
                   +1 :              -0.00000596182077
                   +2 :               0.00000472759995
             14 vec=     2.803193    -16.591354     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00004546768978
                2s
                   +0 :              -0.00044587179454
                3s
                   +0 :               0.00007767947253
                2p
                   -1 :               0.00004814573314
                   +0 :               0.00002402285717
                   +1 :              -0.00005268329033
                3p
                   -1 :               0.00007451625733
                   +0 :               0.00002326198744
                   +1 :               0.00003981502138
                3d
                   -2 :              -0.00000163860454
                   -1 :              -0.00000564244668
                   +0 :              -0.00000488589249
                   +1 :               0.00000423555154
                   +2 :               0.00000104095353
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 28)  npairs=  14
              1 vec=     0.419091      0.000299      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00079627747339
                2s
                   +0 :               0.00676084002494
                3s
                   +0 :              -0.00156914166253
                2p
                   -1 :              -0.00317278325345
                   +0 :               0.00187789747083
                   +1 :              -0.00047351648302
                3p
                   -1 :               0.00118259235145
                   +0 :              -0.00061543857612
                   +1 :               0.00053660540033
                3d
                   -2 :               0.00014656905317
                   -1 :               0.00001326049600
                   +0 :               0.00005620733511
                   +1 :               0.00001800516980
                   +2 :               0.00015320046376
              2 vec=    -7.361071     -4.491580      8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00006531903348
                2s
                   +0 :               0.00026659220398
                3s
                   +0 :              -0.00006500174427
                2p
                   -1 :               0.00015136588695
                   +0 :              -0.00021188740091
                   +1 :               0.00139857899277
                3p
                   -1 :              -0.00048948317046
                   +0 :               0.00011814383668
                   +1 :              -0.00104365281630
                3d
                   -2 :               0.00009616736125
                   -1 :              -0.00005722637812
                   +0 :               0.00001888224037
                   +1 :              -0.00001020885427
                   +2 :              -0.00001854341598
              3 vec=    -7.361071      4.492178      8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00006297341514
                2s
                   +0 :               0.00090190970514
                3s
                   +0 :              -0.00006035755011
                2p
                   -1 :               0.00125786674777
                   +0 :               0.00052201344296
                   +1 :               0.00061409489453
                3p
                   -1 :              -0.00088843071195
                   +0 :               0.00026541040139
                   +1 :              -0.00062013931782
                3d
                   -2 :               0.00006928402088
                   -1 :              -0.00004040744210
                   +0 :               0.00003201885702
                   +1 :              -0.00008730483986
                   +2 :               0.00006155627391
              4 vec=     0.419091     -8.983459      8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00026796366062
                2s
                   +0 :              -0.00249050069600
                3s
                   +0 :               0.00077906138085
                2p
                   -1 :               0.00135315435326
                   +0 :              -0.00166794993159
                   +1 :              -0.00041370069616
                3p
                   -1 :              -0.00073002554645
                   +0 :               0.00063090669880
                   +1 :               0.00026603526701
                3d
                   -2 :              -0.00004214864374
                   -1 :              -0.00005253278086
                   +0 :               0.00000916752380
                   +1 :              -0.00000217118809
                   +2 :              -0.00003296964053
              5 vec=     0.419091      8.984057      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00101670963355
                2s
                   +0 :              -0.00979858619063
                3s
                   +0 :               0.00121158702544
                2p
                   -1 :              -0.00267584063386
                   +0 :              -0.00403313312636
                   +1 :               0.00144776952107
                3p
                   -1 :               0.00040179403332
                   +0 :              -0.00009473506465
                   +1 :              -0.00137635508244
                3d
                   -2 :              -0.00008914174113
                   -1 :              -0.00046489482142
                   +0 :              -0.00033571893997
                   +1 :              -0.00009746635143
                   +2 :               0.00016420443959
              6 vec=     8.199254     -4.491580      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00008360785443
                2s
                   +0 :               0.00044566869118
                3s
                   +0 :              -0.00017522569417
                2p
                   -1 :              -0.00011220410444
                   +0 :              -0.00043902723080
                   +1 :              -0.00083797925172
                3p
                   -1 :              -0.00018825039932
                   +0 :               0.00022754234043
                   +1 :               0.00054629444912
                3d
                   -2 :              -0.00000693325138
                   -1 :               0.00000174595943
                   +0 :               0.00002504291424
                   +1 :               0.00002589070447
                   +2 :              -0.00001793881149
              7 vec=     8.199254      4.492178      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00004065793062
                2s
                   +0 :               0.00058782302238
                3s
                   +0 :               0.00004043535407
                2p
                   -1 :               0.00010843170304
                   +0 :               0.00022064479734
                   +1 :               0.00009678331377
                3p
                   -1 :               0.00012331057771
                   +0 :               0.00025009948182
                   +1 :              -0.00003915338359
                3d
                   -2 :               0.00001675123514
                   -1 :               0.00000039699025
                   +0 :               0.00004795271419
                   +1 :               0.00003707851614
                   +2 :              -0.00006323101909
              8 vec=     0.419091      0.000299    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00000685185674
                2s
                   +0 :              -0.00004580607057
                3s
                   +0 :              -0.00004607501847
                2p
                   -1 :              -0.00005540990517
                   +0 :               0.00003400004578
                   +1 :              -0.00011114699019
                3p
                   -1 :              -0.00003014302237
                   +0 :               0.00003091561230
                   +1 :               0.00007787941002
                3d
                   -2 :              -0.00000010608919
                   -1 :               0.00000438077596
                   +0 :              -0.00000330462985
                   +1 :              -0.00000673552146
                   +2 :              -0.00000390601481
              9 vec=   -15.141234      0.000299      8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00005617979015
                2s
                   +0 :               0.00056616684852
                3s
                   +0 :              -0.00014874070899
                2p
                   -1 :              -0.00005928481495
                   +0 :               0.00008898081662
                   +1 :              -0.00028623718176
                3p
                   -1 :               0.00000518014246
                   +0 :              -0.00004295797631
                   +1 :               0.00012190859752
                3d
                   -2 :               0.00000569152622
                   -1 :              -0.00000171094445
                   +0 :               0.00000308782694
                   +1 :              -0.00000523457930
                   +2 :               0.00000222261603
             10 vec=    -7.361071    -13.475338      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00001881741910
                2s
                   +0 :               0.00003537910119
                3s
                   +0 :              -0.00006777018927
                2p
                   -1 :              -0.00005245865327
                   +0 :              -0.00014166311632
                   +1 :               0.00013510838683
                3p
                   -1 :               0.00006912347087
                   +0 :               0.00000814339380
                   +1 :               0.00002437280807
                3d
                   -2 :              -0.00001172865087
                   -1 :               0.00000395209004
                   +0 :              -0.00000609085140
                   +1 :               0.00001035871004
                   +2 :              -0.00000404285795
             11 vec=    -7.361071     13.475936      8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00002336356485
                2s
                   +0 :              -0.00033947298061
                3s
                   +0 :               0.00004122373235
                2p
                   -1 :              -0.00006242172982
                   +0 :               0.00007456909834
                   +1 :               0.00007526859790
                3p
                   -1 :               0.00008121391034
                   +0 :               0.00000245091970
                   +1 :               0.00009783305768
                3d
                   -2 :              -0.00000165606367
                   -1 :               0.00000896256913
                   +0 :               0.00001590004263
                   +1 :              -0.00000024953860
                   +2 :              -0.00001193155487
             12 vec=     8.199254    -13.475338      8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00000404869383
                2s
                   +0 :              -0.00000666232389
                3s
                   +0 :               0.00001060103582
                2p
                   -1 :              -0.00003270707051
                   +0 :              -0.00003254060116
                   +1 :              -0.00016141479263
                3p
                   -1 :               0.00003000182328
                   +0 :              -0.00000157332427
                   +1 :               0.00000114373642
                3d
                   -2 :               0.00000717296104
                   -1 :               0.00000091466152
                   +0 :               0.00000132988723
                   +1 :              -0.00001171482436
                   +2 :              -0.00000517510135
             13 vec=     8.199254     13.475936      8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00003500516670
                2s
                   +0 :              -0.00030084377834
                3s
                   +0 :               0.00007713419839
                2p
                   -1 :              -0.00001693470086
                   +0 :               0.00017039072942
                   +1 :              -0.00025048275823
                3p
                   -1 :               0.00010248969384
                   +0 :              -0.00005840107362
                   +1 :               0.00004405431429
                3d
                   -2 :               0.00000093714059
                   -1 :               0.00001331372543
                   +0 :               0.00000756032697
                   +1 :              -0.00001179843590
                   +2 :              -0.00000958759102
             14 vec=    15.979417      0.000299      8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00004771705833
                2s
                   +0 :               0.00047074287191
                3s
                   +0 :              -0.00008459285102
                2p
                   -1 :              -0.00014405848789
                   +0 :               0.00012448130836
                   +1 :               0.00014110581682
                3p
                   -1 :               0.00007538135596
                   +0 :              -0.00005572415419
                   +1 :              -0.00000860892436
                3d
                   -2 :               0.00000265391584
                   -1 :               0.00000410488054
                   +0 :              -0.00000239763215
                   +1 :               0.00000486939279
                   +2 :               0.00000534045741
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 29)  npairs=  15
              1 vec=    -2.592869     -4.491580      8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00024074531313
                2s
                   +0 :              -0.00229548305610
                3s
                   +0 :               0.00047327291275
                2p
                   -1 :              -0.00144218560600
                   +0 :              -0.00223019388277
                   +1 :               0.00317832687515
                3p
                   -1 :               0.00076355298417
                   +0 :               0.00037987944847
                   +1 :              -0.00076569423410
                3d
                   -2 :               0.00001345635512
                   -1 :               0.00007513489421
                   +0 :               0.00000420383099
                   +1 :               0.00008985030876
                   +2 :              -0.00013273789756
              2 vec=    -2.592869      4.492178      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00047729538679
                2s
                   +0 :              -0.00309820932883
                3s
                   +0 :               0.00163974502915
                2p
                   -1 :               0.00345218706782
                   +0 :               0.00195447205361
                   +1 :               0.00125133354988
                3p
                   -1 :              -0.00023119388983
                   +0 :              -0.00072066229665
                   +1 :               0.00042123545252
                3d
                   -2 :              -0.00014579209356
                   -1 :               0.00037438535938
                   +0 :               0.00009501591062
                   +1 :               0.00025642443305
                   +2 :              -0.00010387232999
              3 vec=     5.187294      0.000299      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00076106026062
                2s
                   +0 :               0.00676693527394
                3s
                   +0 :              -0.00109740755001
                2p
                   -1 :               0.00075167681732
                   +0 :               0.00290176791914
                   +1 :               0.00418113429573
                3p
                   -1 :              -0.00162301647183
                   +0 :               0.00027020997011
                   +1 :              -0.00182045840097
                3d
                   -2 :              -0.00023656274473
                   -1 :              -0.00033023171798
                   +0 :               0.00021299373720
                   +1 :               0.00019272170267
                   +2 :              -0.00000909601449
              4 vec=   -10.373032      0.000299      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00020707939868
                2s
                   +0 :               0.00160934946635
                3s
                   +0 :              -0.00035460938479
                2p
                   -1 :               0.00061728103979
                   +0 :               0.00002247441349
                   +1 :              -0.00055899644923
                3p
                   -1 :              -0.00062146848361
                   +0 :              -0.00009002633930
                   +1 :               0.00005796294972
                3d
                   -2 :               0.00000741669706
                   -1 :              -0.00000580086850
                   +0 :               0.00000709758289
                   +1 :              -0.00000363690566
                   +2 :               0.00006661013317
              5 vec=     5.187294     -8.983459      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000805841444
                2s
                   +0 :              -0.00021915460525
                3s
                   +0 :              -0.00003798012297
                2p
                   -1 :               0.00018081059319
                   +0 :               0.00018749983567
                   +1 :               0.00005385778300
                3p
                   -1 :              -0.00022686158802
                   +0 :              -0.00025330881175
                   +1 :              -0.00015711869227
                3d
                   -2 :              -0.00001490216390
                   -1 :              -0.00002610641174
                   +0 :              -0.00003137701648
                   +1 :              -0.00003876753449
                   +2 :              -0.00001475634242
              6 vec=     5.187294      8.984057      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00000996778008
                2s
                   +0 :              -0.00015834232198
                3s
                   +0 :              -0.00019967736341
                2p
                   -1 :               0.00045709013374
                   +0 :               0.00004164463330
                   +1 :              -0.00078698320339
                3p
                   -1 :              -0.00015746378979
                   +0 :              -0.00036255383625
                   +1 :               0.00000873023018
                3d
                   -2 :               0.00002786289197
                   -1 :              -0.00001662337062
                   +0 :              -0.00002662967808
                   +1 :              -0.00011824275611
                   +2 :              -0.00001741940295
              7 vec=   -10.373032     -8.983459      8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00002370309667
                2s
                   +0 :              -0.00015846310812
                3s
                   +0 :               0.00004706281281
                2p
                   -1 :              -0.00016071802571
                   +0 :              -0.00035927164793
                   +1 :               0.00007783218329
                3p
                   -1 :               0.00021173460268
                   +0 :               0.00016651902059
                   +1 :               0.00001478309834
                3d
                   -2 :              -0.00001822343835
                   -1 :               0.00001579666451
                   +0 :               0.00000936357254
                   +1 :              -0.00000758893166
                   +2 :               0.00001210517007
              8 vec=    -2.592869    -13.475338      8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00004459401588
                2s
                   +0 :              -0.00042182110288
                3s
                   +0 :               0.00006693400771
                2p
                   -1 :               0.00017731445413
                   +0 :              -0.00037811387119
                   +1 :               0.00025829555146
                3p
                   -1 :              -0.00004282129142
                   +0 :               0.00014408940144
                   +1 :              -0.00020468944019
                3d
                   -2 :               0.00000655517687
                   -1 :               0.00001358390962
                   +0 :              -0.00000461617577
                   +1 :              -0.00002670529794
                   +2 :               0.00000465765951
              9 vec=   -10.373032      8.984057      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00003156208950
                2s
                   +0 :               0.00022209031002
                3s
                   +0 :              -0.00004596591747
                2p
                   -1 :               0.00005954700585
                   +0 :               0.00018321076784
                   +1 :              -0.00013177772770
                3p
                   -1 :               0.00000760030025
                   +0 :              -0.00005863586003
                   +1 :               0.00013067244986
                3d
                   -2 :              -0.00001278165697
                   -1 :              -0.00000412226503
                   +0 :               0.00001286803962
                   +1 :              -0.00000029439138
                   +2 :              -0.00001460722460
             10 vec=    -2.592869     13.475936      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00007640916576
                2s
                   +0 :              -0.00103236716335
                3s
                   +0 :              -0.00009399187062
                2p
                   -1 :              -0.00031083437826
                   +0 :               0.00020525006182
                   +1 :               0.00029354978132
                3p
                   -1 :              -0.00001115018201
                   +0 :              -0.00017122947809
                   +1 :               0.00008349715085
                3d
                   -2 :               0.00004443095938
                   -1 :               0.00002303966918
                   +0 :              -0.00002772440413
                   +1 :              -0.00001714528332
                   +2 :               0.00001799070578
             11 vec=    12.967456     -4.491580      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00002103053617
                2s
                   +0 :               0.00014546226495
                3s
                   +0 :              -0.00006329097371
                2p
                   -1 :               0.00002193487330
                   +0 :              -0.00013179885169
                   +1 :               0.00014923094346
                3p
                   -1 :              -0.00006179168286
                   +0 :               0.00005825596574
                   +1 :              -0.00019177970967
                3d
                   -2 :              -0.00001003242039
                   -1 :               0.00000171788425
                   +0 :               0.00000351717831
                   +1 :               0.00000239489587
                   +2 :              -0.00001317909504
             12 vec=    12.967456      4.492178      8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00001278292042
                2s
                   +0 :               0.00022140708982
                3s
                   +0 :               0.00003121090211
                2p
                   -1 :               0.00003132258005
                   +0 :              -0.00001885864623
                   +1 :              -0.00010317855351
                3p
                   -1 :               0.00004083059543
                   +0 :               0.00002913606620
                   +1 :               0.00008783905541
                3d
                   -2 :               0.00000777744283
                   -1 :              -0.00000495424948
                   +0 :              -0.00001060515398
                   +1 :               0.00000659436246
                   +2 :              -0.00000355796298
             13 vec=    -2.592869     -4.491580    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000025707512
                2s
                   +0 :              -0.00006889362803
                3s
                   +0 :              -0.00003522808386
                2p
                   -1 :               0.00002609697445
                   +0 :               0.00002538059647
                   +1 :               0.00011490090705
                3p
                   -1 :              -0.00004306279361
                   +0 :               0.00000059566095
                   +1 :              -0.00006182011056
                3d
                   -2 :              -0.00000659116884
                   -1 :               0.00000448927501
                   +0 :               0.00000738780607
                   +1 :               0.00000086286026
                   +2 :               0.00000329030612
             14 vec=    -2.592869      4.492178    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001900364098
                2s
                   +0 :               0.00015495316981
                3s
                   +0 :              -0.00004331685797
                2p
                   -1 :              -0.00015417595856
                   +0 :              -0.00008652317329
                   +1 :              -0.00007232654252
                3p
                   -1 :               0.00005255345076
                   +0 :               0.00003917375399
                   +1 :               0.00002926762264
                3d
                   -2 :              -0.00000491997825
                   -1 :               0.00000017575611
                   +0 :               0.00000108347058
                   +1 :               0.00000279544983
                   +2 :               0.00000417428142
             15 vec=     5.187294      0.000299    -16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00000477537663
                2s
                   +0 :              -0.00006056647166
                3s
                   +0 :              -0.00004388693104
                2p
                   -1 :              -0.00023243963272
                   +0 :               0.00001592569200
                   +1 :               0.00004191331907
                3p
                   -1 :               0.00008466282316
                   +0 :               0.00008296847042
                   +1 :              -0.00004361203119
                3d
                   -2 :               0.00000054499417
                   -1 :               0.00000661437744
                   +0 :              -0.00000080783760
                   +1 :               0.00000133981138
                   +2 :               0.00000050428158
WF             site_B          number of pairs
WF( 36)=[O_11_2py]  to site O ( 30)  npairs=  15
              1 vec=    -4.976970      0.362794      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00050633966965
                2s
                   +0 :               0.00558526930358
                3s
                   +0 :              -0.00019499423521
                2p
                   -1 :              -0.00373641085790
                   +0 :               0.00269221342807
                   +1 :              -0.00269042675744
                3p
                   -1 :               0.00239310510442
                   +0 :               0.00090653738314
                   +1 :               0.00020337899864
                3d
                   -2 :               0.00013852673986
                   -1 :               0.00000584382146
                   +0 :               0.00018523865022
                   +1 :              -0.00029945548017
                   +2 :               0.00018650352921
              2 vec=     2.803193     -4.129085      8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00028262669811
                2s
                   +0 :              -0.00289829031213
                3s
                   +0 :               0.00049188524003
                2p
                   -1 :              -0.00172933423186
                   +0 :              -0.00404409818398
                   +1 :              -0.00321305473533
                3p
                   -1 :               0.00102920434650
                   +0 :               0.00107196126049
                   +1 :               0.00043734921024
                3d
                   -2 :               0.00001461543186
                   -1 :               0.00003034357842
                   +0 :               0.00004049657189
                   +1 :              -0.00018127968882
                   +2 :              -0.00004381705100
              3 vec=     2.803193      4.854673      8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00009649944739
                2s
                   +0 :              -0.00225302677563
                3s
                   +0 :               0.00026388720476
                2p
                   -1 :               0.00285165956176
                   +0 :              -0.00276491624373
                   +1 :              -0.00271415278820
                3p
                   -1 :              -0.00004646397132
                   +0 :               0.00209812843088
                   +1 :               0.00091968561359
                3d
                   -2 :               0.00013543718052
                   -1 :               0.00031650722826
                   +0 :               0.00008301489108
                   +1 :              -0.00021185036282
                   +2 :              -0.00013731177746
              4 vec=    -4.976970     -8.620964      8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00005725894203
                2s
                   +0 :              -0.00058181113242
                3s
                   +0 :               0.00012172911256
                2p
                   -1 :               0.00022997778705
                   +0 :               0.00007719787578
                   +1 :              -0.00006750528103
                3p
                   -1 :              -0.00023171397851
                   +0 :              -0.00015324591970
                   +1 :               0.00013537615918
                3d
                   -2 :              -0.00001739691621
                   -1 :              -0.00000503730504
                   +0 :              -0.00003449893373
                   +1 :               0.00002067598646
                   +2 :              -0.00001098225255
              5 vec=    -4.976970      9.346552      8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00011546784821
                2s
                   +0 :              -0.00092750063536
                3s
                   +0 :               0.00011970011764
                2p
                   -1 :              -0.00011254360697
                   +0 :               0.00004230446667
                   +1 :               0.00132208022918
                3p
                   -1 :               0.00023386380574
                   +0 :              -0.00027791717819
                   +1 :              -0.00045545719276
                3d
                   -2 :              -0.00000235216046
                   -1 :              -0.00000075589674
                   +0 :              -0.00005616470288
                   +1 :               0.00003242344803
                   +2 :              -0.00006851937284
              6 vec=    10.583355      0.362794      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00007331168349
                2s
                   +0 :               0.00090722913076
                3s
                   +0 :               0.00005339780320
                2p
                   -1 :               0.00016931953935
                   +0 :              -0.00003057792127
                   +1 :               0.00050984514044
                3p
                   -1 :              -0.00015049005509
                   +0 :               0.00003900065803
                   +1 :              -0.00006740701645
                3d
                   -2 :               0.00002101228389
                   -1 :              -0.00002022637627
                   +0 :              -0.00000347584293
                   +1 :              -0.00000274828686
                   +2 :               0.00005290782865
              7 vec=   -12.757133     -4.129085      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00000606821069
                2s
                   +0 :               0.00013495365067
                3s
                   +0 :              -0.00002691860876
                2p
                   -1 :              -0.00033665295596
                   +0 :              -0.00000703922314
                   +1 :              -0.00008490651491
                3p
                   -1 :               0.00018164898319
                   +0 :              -0.00003796272059
                   +1 :               0.00011387884602
                3d
                   -2 :               0.00001405584039
                   -1 :              -0.00001712965813
                   +0 :              -0.00001011335873
                   +1 :               0.00000310344742
                   +2 :              -0.00001066548713
              8 vec=     2.803193    -13.112843      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00002289554541
                2s
                   +0 :              -0.00033797933606
                3s
                   +0 :               0.00003254420991
                2p
                   -1 :               0.00025059419712
                   +0 :              -0.00046614276141
                   +1 :              -0.00038700255442
                3p
                   -1 :              -0.00010065011060
                   +0 :               0.00027887041276
                   +1 :               0.00029468919236
                3d
                   -2 :              -0.00001533657452
                   -1 :               0.00000244823916
                   +0 :               0.00000778928013
                   +1 :               0.00003785159361
                   +2 :              -0.00000499168860
              9 vec=   -12.757133      4.854673      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00000812835409
                2s
                   +0 :               0.00000898412770
                3s
                   +0 :               0.00004282068266
                2p
                   -1 :               0.00004685785235
                   +0 :              -0.00001880116586
                   +1 :               0.00006068785227
                3p
                   -1 :               0.00003124747424
                   +0 :              -0.00004674049601
                   +1 :              -0.00000949886117
                3d
                   -2 :               0.00000162706088
                   -1 :              -0.00000666486253
                   +0 :               0.00000835581090
                   +1 :               0.00000508472399
                   +2 :              -0.00001550108636
             10 vec=    10.583355     -8.620964      8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00005327773433
                2s
                   +0 :               0.00038488981606
                3s
                   +0 :              -0.00015428629004
                2p
                   -1 :              -0.00014552046092
                   +0 :              -0.00011462273767
                   +1 :               0.00001246201783
                3p
                   -1 :               0.00016398876142
                   +0 :               0.00001375091446
                   +1 :              -0.00003207174161
                3d
                   -2 :               0.00000195998861
                   -1 :               0.00000302966071
                   +0 :               0.00000029959813
                   +1 :              -0.00000552266095
                   +2 :               0.00001157135732
             11 vec=     2.803193     13.838431      8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00020038888098
                2s
                   +0 :              -0.00175117913905
                3s
                   +0 :               0.00036201083885
                2p
                   -1 :              -0.00004964594711
                   +0 :              -0.00010003169347
                   +1 :              -0.00061600116190
                3p
                   -1 :              -0.00026433616960
                   +0 :               0.00014205946585
                   +1 :               0.00025480102008
                3d
                   -2 :              -0.00000966526218
                   -1 :               0.00002324801170
                   +0 :              -0.00001989542117
                   +1 :               0.00003595467543
                   +2 :              -0.00000519802518
             12 vec=    10.583355      9.346552      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00005978680853
                2s
                   +0 :               0.00052696791283
                3s
                   +0 :              -0.00013953557085
                2p
                   -1 :               0.00021953618335
                   +0 :               0.00033173388982
                   +1 :               0.00019624786115
                3p
                   -1 :              -0.00008024783096
                   +0 :              -0.00006163703178
                   +1 :              -0.00016250833053
                3d
                   -2 :              -0.00000222577418
                   -1 :              -0.00001346018644
                   +0 :               0.00000529823534
                   +1 :               0.00001335379458
                   +2 :              -0.00000210090715
             13 vec=    -4.976970      0.362794    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00002108484914
                2s
                   +0 :              -0.00021667287519
                3s
                   +0 :               0.00003961637051
                2p
                   -1 :              -0.00013633931357
                   +0 :               0.00013950277644
                   +1 :               0.00008414503223
                3p
                   -1 :               0.00004413147488
                   +0 :              -0.00002806022784
                   +1 :              -0.00002610126420
                3d
                   -2 :              -0.00000496892149
                   -1 :              -0.00000134899435
                   +0 :              -0.00000377117822
                   +1 :              -0.00000168579641
                   +2 :               0.00000278670788
             14 vec=     2.803193     -4.129085    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00004505981295
                2s
                   +0 :              -0.00037919892997
                3s
                   +0 :               0.00010705079534
                2p
                   -1 :              -0.00013408020812
                   +0 :               0.00018709136778
                   +1 :               0.00003196790629
                3p
                   -1 :               0.00005717287879
                   +0 :              -0.00008884939598
                   +1 :              -0.00002524879960
                3d
                   -2 :              -0.00000282855394
                   -1 :               0.00000396110698
                   +0 :               0.00001381950886
                   +1 :               0.00000527060499
                   +2 :               0.00000253742492
             15 vec=     2.803193      4.854673    -16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00001331966668
                2s
                   +0 :               0.00012704587075
                3s
                   +0 :              -0.00001338180108
                2p
                   -1 :              -0.00009137492431
                   +0 :              -0.00002394677810
                   +1 :               0.00005361649813
                3p
                   -1 :               0.00000622988687
                   +0 :              -0.00006570056617
                   +1 :              -0.00000973964791
                3d
                   -2 :               0.00000160106080
                   -1 :               0.00000475741379
                   +0 :               0.00000613394272
                   +1 :              -0.00000495514547
                   +2 :               0.00000793011183
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al(  1)  npairs=  13
              1 vec=     0.209805      3.115717      6.601980   |vec|=    7.303276
                2s
                   +0 :              -0.00113483181771
                2p
                   -1 :              -0.00128938480887
                   +0 :              -0.00103745755393
                   +1 :               0.00000921246900
                3s
                   +0 :               0.00569008839015
                4s
                   +0 :              -0.00199513891129
                3p
                   -1 :               0.00643378249985
                   +0 :               0.00591130732255
                   +1 :              -0.00001722618057
                4p
                   -1 :              -0.00067146885028
                   +0 :              -0.00194851742704
                   +1 :               0.00021244678979
                3d
                   -2 :               0.00079540239726
                   -1 :              -0.00146248110863
                   +0 :               0.00211813396973
                   +1 :              -0.00001045815993
                   +2 :               0.00422126836553
              2 vec=     0.209805     -5.868041      6.601980   |vec|=    8.835387
                2s
                   +0 :              -0.00117328817670
                2p
                   -1 :              -0.00011518825022
                   +0 :               0.00006920296323
                   +1 :               0.00033912243054
                3s
                   +0 :               0.01672931012717
                4s
                   +0 :              -0.00045040253907
                3p
                   -1 :              -0.01004471316798
                   +0 :               0.00820196963629
                   +1 :              -0.00203323254201
                4p
                   -1 :              -0.00041129597915
                   +0 :               0.00043896644983
                   +1 :               0.00051988732243
                3d
                   -2 :               0.00023879089609
                   -1 :              -0.00437684135549
                   +0 :               0.00058982440156
                   +1 :              -0.00031118638266
                   +2 :              -0.00287069418498
              3 vec=    -7.570358     -1.376162      6.601980   |vec|=   10.138554
                2s
                   +0 :               0.00068735835481
                2p
                   -1 :               0.00074668180347
                   +0 :               0.00052554536380
                   +1 :               0.00021436562154
                3s
                   +0 :               0.00005847922711
                4s
                   +0 :              -0.00092654357581
                3p
                   -1 :              -0.00330748284999
                   +0 :              -0.00221638521507
                   +1 :              -0.00240147492171
                4p
                   -1 :               0.00088043237049
                   +0 :               0.00004592720573
                   +1 :               0.00126144465508
                3d
                   -2 :               0.00106010983044
                   -1 :              -0.00037444619588
                   +0 :              -0.00007988612100
                   +1 :              -0.00020506430556
                   +2 :               0.00111718343148
              4 vec=     7.989968     -1.376162      6.601980   |vec|=   10.455599
                2s
                   +0 :              -0.00056473470992
                2p
                   -1 :               0.00011857363585
                   +0 :               0.00001596340547
                   +1 :              -0.00024294354629
                3s
                   +0 :               0.00299902595448
                4s
                   +0 :              -0.00103488819506
                3p
                   -1 :              -0.00046471028571
                   +0 :              -0.00028821577368
                   +1 :               0.00198981029189
                4p
                   -1 :               0.00011041656160
                   +0 :               0.00007651882027
                   +1 :              -0.00066272901770
                3d
                   -2 :              -0.00010224348723
                   -1 :              -0.00011896391119
                   +0 :               0.00025275533295
                   +1 :               0.00021854419392
                   +2 :               0.00036573713589
              5 vec=    -7.570358      7.607596      6.601980   |vec|=   12.600475
                2s
                   +0 :              -0.00023127755305
                2p
                   -1 :               0.00006695003856
                   +0 :              -0.00006701255381
                   +1 :               0.00004203845996
                3s
                   +0 :               0.00111064459184
                4s
                   +0 :              -0.00004111711318
                3p
                   -1 :              -0.00052548999429
                   +0 :               0.00083146570159
                   +1 :              -0.00043159742820
                4p
                   -1 :               0.00026744288685
                   +0 :              -0.00005357483007
                   +1 :              -0.00004365092895
                3d
                   -2 :              -0.00001877738682
                   -1 :               0.00008281426108
                   +0 :               0.00019993590240
                   +1 :              -0.00018379791114
                   +2 :               0.00013345131665
              6 vec=     7.989968      7.607596      6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00031841136270
                2p
                   -1 :               0.00010865751728
                   +0 :               0.00010934542152
                   +1 :               0.00009924822299
                3s
                   +0 :              -0.00028442146048
                4s
                   +0 :               0.00027902708710
                3p
                   -1 :              -0.00037550782112
                   +0 :              -0.00013004125765
                   +1 :              -0.00020950448478
                4p
                   -1 :               0.00004142277307
                   +0 :               0.00014075042980
                   +1 :               0.00005798999903
                3d
                   -2 :               0.00002693032196
                   -1 :              -0.00000488338317
                   +0 :              -0.00005021460651
                   +1 :              -0.00008234180584
                   +2 :              -0.00000529435053
              7 vec=     0.209805     12.099475      6.601980   |vec|=   13.785044
                2s
                   +0 :               0.00013997263828
                2p
                   -1 :               0.00000589318546
                   +0 :              -0.00001664931540
                   +1 :               0.00007450827225
                3s
                   +0 :              -0.00092924756911
                4s
                   +0 :               0.00034477159501
                3p
                   -1 :              -0.00043846699003
                   +0 :               0.00060146973425
                   +1 :              -0.00019581921525
                4p
                   -1 :               0.00017522335042
                   +0 :              -0.00002086327088
                   +1 :              -0.00008178229959
                3d
                   -2 :               0.00008270449419
                   -1 :               0.00005302291355
                   +0 :              -0.00024645063291
                   +1 :              -0.00014628811994
                   +2 :               0.00006200383228
              8 vec=    -7.570358    -10.359920      6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00024123836087
                2p
                   -1 :              -0.00005055034640
                   +0 :               0.00002412011788
                   +1 :              -0.00000341471773
                3s
                   +0 :              -0.00073625237806
                4s
                   +0 :               0.00027667712559
                3p
                   -1 :               0.00025519318943
                   +0 :              -0.00021033920603
                   +1 :              -0.00007941472881
                4p
                   -1 :              -0.00004619450364
                   +0 :               0.00010820248260
                   +1 :               0.00002258263104
                3d
                   -2 :               0.00010530912127
                   -1 :               0.00001031459180
                   +0 :              -0.00001470503937
                   +1 :               0.00002208400000
                   +2 :               0.00008727700381
              9 vec=     7.989968    -10.359920      6.601980   |vec|=   14.654476
                2s
                   +0 :               0.00006473574981
                2p
                   -1 :              -0.00002203990565
                   +0 :               0.00001619868453
                   +1 :               0.00003646669494
                3s
                   +0 :              -0.00005635752405
                4s
                   +0 :               0.00001404326067
                3p
                   -1 :               0.00017149297318
                   +0 :              -0.00003220092156
                   +1 :              -0.00014598007739
                4p
                   -1 :              -0.00004464991105
                   +0 :               0.00001240159597
                   +1 :               0.00000709787143
                3d
                   -2 :               0.00000323620870
                   -1 :              -0.00001579940714
                   +0 :               0.00001045523152
                   +1 :               0.00001038902176
                   +2 :              -0.00000009809177
             10 vec=     0.209805    -14.851799      6.601980   |vec|=   16.254417
                2s
                   +0 :              -0.00011145324279
                2p
                   -1 :               0.00003600140999
                   +0 :              -0.00005408301763
                   +1 :              -0.00001600752159
                3s
                   +0 :               0.00039790343900
                4s
                   +0 :              -0.00012131032762
                3p
                   -1 :              -0.00015786013457
                   +0 :               0.00024860817807
                   +1 :               0.00011018647024
                4p
                   -1 :               0.00002478602030
                   +0 :              -0.00006717934513
                   +1 :              -0.00003246217257
                3d
                   -2 :              -0.00001240330052
                   -1 :              -0.00006047240462
                   +0 :               0.00004529379463
                   +1 :               0.00000172496691
                   +2 :               0.00000254297090
             11 vec=   -15.350520      3.115717      6.601980   |vec|=   16.998009
                2s
                   +0 :              -0.00001625855875
                2p
                   -1 :              -0.00000326465944
                   +0 :               0.00001624986499
                   +1 :               0.00000027291513
                3s
                   +0 :               0.00008287672502
                4s
                   +0 :               0.00001133643875
                3p
                   -1 :               0.00002218523363
                   +0 :              -0.00003285708629
                   +1 :               0.00001868210817
                4p
                   -1 :               0.00002467883805
                   +0 :               0.00001711833407
                   +1 :              -0.00002407737159
                3d
                   -2 :               0.00001125057125
                   -1 :               0.00000389724361
                   +0 :               0.00001647585326
                   +1 :               0.00000682927895
                   +2 :               0.00002432029814
             12 vec=    15.770130      3.115717      6.601980   |vec|=   17.377884
                2s
                   +0 :              -0.00009399123102
                2p
                   -1 :              -0.00003644413308
                   +0 :              -0.00004758386115
                   +1 :              -0.00000983994713
                3s
                   +0 :               0.00049439486916
                4s
                   +0 :              -0.00010616361861
                3p
                   -1 :               0.00023897904714
                   +0 :               0.00032174995474
                   +1 :               0.00006708435816
                4p
                   -1 :              -0.00004469574712
                   +0 :              -0.00005095800779
                   +1 :               0.00000301573869
                3d
                   -2 :               0.00003612314591
                   -1 :               0.00003721963316
                   +0 :               0.00005239577603
                   +1 :               0.00007534503485
                   +2 :              -0.00002603838215
             13 vec=   -15.350520     -5.868041      6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00003529410941
                2p
                   -1 :               0.00002809107437
                   +0 :               0.00001789465233
                   +1 :              -0.00000370471090
                3s
                   +0 :               0.00028021727869
                4s
                   +0 :              -0.00012992102848
                3p
                   -1 :              -0.00022735396707
                   +0 :              -0.00013849341639
                   +1 :              -0.00002584524435
                4p
                   -1 :               0.00008238424876
                   +0 :               0.00000802040422
                   +1 :               0.00001872353642
                3d
                   -2 :               0.00003396670763
                   -1 :               0.00003578810380
                   +0 :               0.00004498178858
                   +1 :               0.00002563578259
                   +2 :              -0.00000543986965
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al(  2)  npairs=  15
              1 vec=     0.209805      3.115717    -10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00067085642809
                2p
                   -1 :              -0.00043595646994
                   +0 :               0.00037540995763
                   +1 :              -0.00011815780181
                3s
                   +0 :               0.00024724285423
                4s
                   +0 :              -0.00016115416519
                3p
                   -1 :               0.00260213629921
                   +0 :              -0.00034968590081
                   +1 :              -0.00013557280352
                4p
                   -1 :              -0.00052261991210
                   +0 :               0.00007397145160
                   +1 :               0.00008974521109
                3d
                   -2 :               0.00002225632349
                   -1 :              -0.00026463149924
                   +0 :              -0.00010670251946
                   +1 :               0.00001438860489
                   +2 :              -0.00011063523701
              2 vec=     0.209805     -5.868041    -10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00008129229678
                2p
                   -1 :               0.00000962850866
                   +0 :               0.00005587290508
                   +1 :              -0.00006786579241
                3s
                   +0 :              -0.00133241425979
                4s
                   +0 :               0.00033136541481
                3p
                   -1 :               0.00035025607726
                   +0 :              -0.00033670039557
                   +1 :               0.00088556694598
                4p
                   -1 :              -0.00002381780763
                   +0 :              -0.00003268231618
                   +1 :               0.00003187555673
                3d
                   -2 :              -0.00031653209106
                   -1 :               0.00024221865629
                   +0 :               0.00054103833261
                   +1 :              -0.00025219290776
                   +2 :              -0.00056260703272
              3 vec=    -7.570358     -1.376162    -10.693237   |vec|=   13.173817
                2s
                   +0 :               0.00034562444884
                2p
                   -1 :               0.00015166583152
                   +0 :              -0.00004797828470
                   +1 :               0.00000144648681
                3s
                   +0 :              -0.00257820516706
                4s
                   +0 :               0.00035625993277
                3p
                   -1 :              -0.00038113173128
                   +0 :               0.00121265845436
                   +1 :               0.00108882776580
                4p
                   -1 :               0.00023201889954
                   +0 :              -0.00008860667286
                   +1 :              -0.00009315420577
                3d
                   -2 :              -0.00012222447553
                   -1 :              -0.00000626509736
                   +0 :              -0.00020113807411
                   +1 :              -0.00032239351519
                   +2 :              -0.00013738776627
              4 vec=     7.989968     -1.376162    -10.693237   |vec|=   13.419341
                2s
                   +0 :               0.00029569703831
                2p
                   -1 :              -0.00005014021818
                   +0 :              -0.00001916432992
                   +1 :               0.00003247905481
                3s
                   +0 :              -0.00276159649483
                4s
                   +0 :               0.00048086178357
                3p
                   -1 :               0.00084412424917
                   +0 :               0.00112379183493
                   +1 :              -0.00137880403219
                4p
                   -1 :              -0.00000872213310
                   +0 :              -0.00010054169761
                   +1 :               0.00013539561061
                3d
                   -2 :               0.00033804280691
                   -1 :              -0.00034085443048
                   +0 :              -0.00027057216093
                   +1 :               0.00038774655022
                   +2 :              -0.00017636114980
              5 vec=     0.209805      3.115717     13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00000719268853
                2p
                   -1 :               0.00010597144923
                   +0 :               0.00001801564744
                   +1 :              -0.00005683563488
                3s
                   +0 :               0.00013474798696
                4s
                   +0 :              -0.00005266337197
                3p
                   -1 :              -0.00046499664716
                   +0 :              -0.00011168325476
                   +1 :               0.00024754241452
                4p
                   -1 :               0.00008217427857
                   +0 :               0.00004691158095
                   +1 :              -0.00006714058544
                3d
                   -2 :               0.00008139298304
                   -1 :              -0.00003415234053
                   +0 :              -0.00001081160262
                   +1 :               0.00004611909642
                   +2 :               0.00000997661693
              6 vec=     0.209805     -5.868041     13.854306   |vec|=   15.047249
                2s
                   +0 :              -0.00019014982974
                2p
                   -1 :               0.00014687969244
                   +0 :              -0.00002613499168
                   +1 :               0.00000047052262
                3s
                   +0 :               0.00055558123543
                4s
                   +0 :              -0.00011278971023
                3p
                   -1 :              -0.00048174564074
                   +0 :               0.00002263915298
                   +1 :              -0.00007305540783
                4p
                   -1 :               0.00005622999567
                   +0 :              -0.00002294178662
                   +1 :               0.00004785519176
                3d
                   -2 :               0.00001112447123
                   -1 :              -0.00000765285142
                   +0 :              -0.00008573690348
                   +1 :               0.00001735837224
                   +2 :              -0.00013067863192
              7 vec=    -7.570358      7.607596    -10.693237   |vec|=   15.150285
                2s
                   +0 :              -0.00001232586853
                2p
                   -1 :              -0.00005090312598
                   +0 :               0.00002340996165
                   +1 :              -0.00002480595996
                3s
                   +0 :               0.00010502651468
                4s
                   +0 :              -0.00002846963000
                3p
                   -1 :               0.00035219168911
                   +0 :              -0.00022567400075
                   +1 :               0.00009407602074
                4p
                   -1 :              -0.00006287706105
                   +0 :               0.00004700607668
                   +1 :               0.00001173425533
                3d
                   -2 :              -0.00003123483335
                   -1 :              -0.00006055595212
                   +0 :              -0.00004410744445
                   +1 :               0.00001360590369
                   +2 :              -0.00001277762344
              8 vec=     7.989968      7.607596    -10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00005952266524
                2p
                   -1 :               0.00003258910367
                   +0 :               0.00000104196285
                   +1 :              -0.00000769821892
                3s
                   +0 :              -0.00003143811633
                4s
                   +0 :              -0.00003383348368
                3p
                   -1 :              -0.00015826222590
                   +0 :              -0.00009467676933
                   +1 :               0.00006303406930
                4p
                   -1 :               0.00002688163356
                   +0 :               0.00005475666197
                   +1 :              -0.00003751849524
                3d
                   -2 :               0.00001590956862
                   -1 :               0.00000840383015
                   +0 :              -0.00001029077898
                   +1 :              -0.00001181417947
                   +2 :               0.00003382450673
              9 vec=    -7.570358     -1.376162     13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00006301619339
                2p
                   -1 :               0.00000886632403
                   +0 :              -0.00002284112291
                   +1 :               0.00001276005548
                3s
                   +0 :               0.00059062072152
                4s
                   +0 :              -0.00013597947195
                3p
                   -1 :               0.00004177175179
                   +0 :               0.00032359149399
                   +1 :              -0.00029683462888
                4p
                   -1 :              -0.00000996333991
                   +0 :              -0.00011283288099
                   +1 :               0.00003224284549
                3d
                   -2 :              -0.00003836201948
                   -1 :              -0.00000948553265
                   +0 :               0.00003716680276
                   +1 :              -0.00007070876168
                   +2 :              -0.00000407540240
             10 vec=     7.989968     -1.376162     13.854306   |vec|=   16.052264
                2s
                   +0 :               0.00001818563698
                2p
                   -1 :               0.00002667742239
                   +0 :               0.00000284777177
                   +1 :              -0.00000051783527
                3s
                   +0 :               0.00047605427396
                4s
                   +0 :              -0.00009334954118
                3p
                   -1 :               0.00001684610489
                   +0 :               0.00025897032287
                   +1 :               0.00031299734042
                4p
                   -1 :               0.00006306907574
                   +0 :              -0.00010318857727
                   +1 :              -0.00000800211734
                3d
                   -2 :               0.00004875373224
                   -1 :              -0.00004802165509
                   +0 :               0.00001856368796
                   +1 :               0.00001244249833
                   +2 :               0.00009981561863
             11 vec=     0.209805     12.099475    -10.693237   |vec|=   16.148889
                2s
                   +0 :              -0.00026601413315
                2p
                   -1 :              -0.00008552770480
                   +0 :               0.00008184306726
                   +1 :               0.00000342525697
                3s
                   +0 :               0.00108832894718
                4s
                   +0 :              -0.00039666848972
                3p
                   -1 :               0.00047613129893
                   +0 :              -0.00045535370800
                   +1 :              -0.00004330058136
                4p
                   -1 :              -0.00011781350645
                   +0 :               0.00015792390739
                   +1 :               0.00003011349115
                3d
                   -2 :               0.00001522978480
                   -1 :              -0.00008235542930
                   +0 :               0.00001765373719
                   +1 :              -0.00000506378616
                   +2 :              -0.00006593053056
             12 vec=    -7.570358    -10.359920    -10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00006384054290
                2p
                   -1 :               0.00002988083632
                   +0 :               0.00004612027027
                   +1 :               0.00001476545319
                3s
                   +0 :               0.00021694240186
                4s
                   +0 :              -0.00009032072422
                3p
                   -1 :              -0.00022938071008
                   +0 :              -0.00028748269633
                   +1 :              -0.00015511974957
                4p
                   -1 :               0.00003265235821
                   +0 :               0.00006956926027
                   +1 :               0.00004450831226
                3d
                   -2 :               0.00001837956486
                   -1 :               0.00007042460846
                   +0 :               0.00004188162841
                   +1 :               0.00004684182624
                   +2 :              -0.00005706278580
             13 vec=     7.989968    -10.359920    -10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00005979983537
                2p
                   -1 :               0.00000972559746
                   +0 :              -0.00001147725264
                   +1 :              -0.00000025556338
                3s
                   +0 :              -0.00029209230873
                4s
                   +0 :               0.00003102597354
                3p
                   -1 :              -0.00013033119898
                   +0 :               0.00007674802944
                   +1 :               0.00000682933184
                4p
                   -1 :               0.00004668333813
                   +0 :               0.00000718287453
                   +1 :              -0.00001644022796
                3d
                   -2 :              -0.00002657009928
                   -1 :               0.00001792237793
                   +0 :              -0.00002836963787
                   +1 :               0.00002520681002
                   +2 :              -0.00001429291766
             14 vec=    -7.570358      7.607596     13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00000594730042
                2p
                   -1 :               0.00001281783406
                   +0 :               0.00000052038685
                   +1 :               0.00000521238261
                3s
                   +0 :               0.00019592636904
                4s
                   +0 :              -0.00000174254359
                3p
                   -1 :               0.00007065934933
                   +0 :               0.00005042844905
                   +1 :              -0.00020115965616
                4p
                   -1 :               0.00003744489766
                   +0 :              -0.00000167999209
                   +1 :               0.00002853553417
                3d
                   -2 :              -0.00011032051560
                   -1 :               0.00002796572976
                   +0 :              -0.00003473918395
                   +1 :              -0.00004598036087
                   +2 :               0.00003473181988
             15 vec=     7.989968      7.607596     13.854306   |vec|=   17.710361
                2s
                   +0 :               0.00000418202508
                2p
                   -1 :               0.00000629207216
                   +0 :              -0.00001529263019
                   +1 :              -0.00001039706111
                3s
                   +0 :              -0.00016877370713
                4s
                   +0 :              -0.00003252291006
                3p
                   -1 :              -0.00005246176087
                   +0 :               0.00008151210432
                   +1 :              -0.00008090885047
                4p
                   -1 :               0.00001367669260
                   +0 :              -0.00002030149446
                   +1 :              -0.00002980015679
                3d
                   -2 :              -0.00003822523397
                   -1 :               0.00002235278541
                   +0 :               0.00002432849128
                   +1 :               0.00002318010735
                   +2 :              -0.00006215931770
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Cr(  3)  npairs=  14
              1 vec=     0.209805      3.115717      1.580534   |vec|=    3.499971
                3s
                   +0 :              -0.04177571701933
                3p
                   -1 :              -0.05888913476704
                   +0 :              -0.00880554884047
                   +1 :              -0.00367577499333
                4s
                   +0 :              -0.00900212458445
                5s
                   +0 :              -0.00410838035361
                3d
                   -2 :              -0.00680375084835
                   -1 :               0.00197891807552
                   +0 :               0.03705761559256
                   +1 :              -0.00132202029336
                   +2 :               0.03696166827626
                4d
                   -2 :              -0.00116508288502
                   -1 :               0.00480504175945
                   +0 :               0.00440859556977
                   +1 :               0.00189687238645
                   +2 :               0.00468622016796
                4p
                   -1 :              -0.02859445362473
                   +0 :               0.01084794459561
                   +1 :              -0.00104038832347
              2 vec=     0.209805     -5.868041      1.580534   |vec|=    6.080790
                3s
                   +0 :               0.00261743803704
                3p
                   -1 :              -0.00160832028876
                   +0 :              -0.00070606754874
                   +1 :               0.00111327598000
                4s
                   +0 :              -0.00358293083341
                5s
                   +0 :               0.00103829766702
                3d
                   -2 :              -0.00074804161718
                   -1 :               0.00111008924698
                   +0 :              -0.00193124025806
                   +1 :               0.00013903499255
                   +2 :               0.00475977231736
                4d
                   -2 :              -0.00055387215300
                   -1 :              -0.00071063003226
                   +0 :               0.00084047196981
                   +1 :              -0.00004612707140
                   +2 :               0.00231741676380
                4p
                   -1 :               0.00233054732616
                   +0 :              -0.00117032563132
                   +1 :               0.00017601891203
              3 vec=    -7.570358     -1.376162      1.580534   |vec|=    7.855076
                3s
                   +0 :               0.00063988738560
                3p
                   -1 :               0.00048909894612
                   +0 :               0.00006789015773
                   +1 :              -0.00098425458393
                4s
                   +0 :               0.00263395689440
                5s
                   +0 :              -0.00019937790397
                3d
                   -2 :               0.00198998774730
                   -1 :              -0.00039875826040
                   +0 :              -0.00221055909276
                   +1 :              -0.00037005230824
                   +2 :               0.00204631328659
                4d
                   -2 :               0.00154952307434
                   -1 :              -0.00045823288664
                   +0 :              -0.00066977537393
                   +1 :              -0.00066692352136
                   +2 :              -0.00003655748147
                4p
                   -1 :              -0.00283574479930
                   +0 :              -0.00004507517670
                   +1 :              -0.00279643760427
              4 vec=     7.989968     -1.376162      1.580534   |vec|=    8.260236
                3s
                   +0 :               0.00051586146259
                3p
                   -1 :               0.00025642981784
                   +0 :              -0.00026403315015
                   +1 :               0.00080964595702
                4s
                   +0 :              -0.00126425174882
                5s
                   +0 :               0.00028143382773
                3d
                   -2 :              -0.00060224097099
                   -1 :               0.00079230407009
                   +0 :              -0.00065309494758
                   +1 :               0.00032316111113
                   +2 :               0.00116473339938
                4d
                   -2 :              -0.00059007427213
                   -1 :              -0.00074290651066
                   +0 :               0.00018815889150
                   +1 :               0.00046121017900
                   +2 :              -0.00105271625939
                4p
                   -1 :              -0.00075748684680
                   +0 :               0.00053868357862
                   +1 :              -0.00084545097536
              5 vec=    -7.570358      7.607596      1.580534   |vec|=   10.848222
                3s
                   +0 :              -0.00031632080363
                3p
                   -1 :              -0.00012332248971
                   +0 :              -0.00002542913412
                   +1 :               0.00018570318150
                4s
                   +0 :              -0.00009318100126
                5s
                   +0 :               0.00002568561398
                3d
                   -2 :               0.00030845404419
                   -1 :               0.00020695939964
                   +0 :              -0.00015542730335
                   +1 :              -0.00092552662398
                   +2 :              -0.00016817438470
                4d
                   -2 :               0.00016799698170
                   -1 :               0.00022920547880
                   +0 :              -0.00005251276613
                   +1 :               0.00009938921847
                   +2 :              -0.00011734952425
                4p
                   -1 :               0.00026109167213
                   +0 :               0.00026846811592
                   +1 :               0.00019637498908
              6 vec=     7.989968      7.607596      1.580534   |vec|=   11.145097
                3s
                   +0 :              -0.00019691971586
                3p
                   -1 :              -0.00003156293468
                   +0 :               0.00008355031492
                   +1 :              -0.00024200019668
                4s
                   +0 :              -0.00046210256898
                5s
                   +0 :               0.00013419912485
                3d
                   -2 :              -0.00023697934384
                   -1 :              -0.00004844624297
                   +0 :              -0.00000869748039
                   +1 :               0.00020452282117
                   +2 :              -0.00002284504250
                4d
                   -2 :              -0.00024559722109
                   -1 :               0.00015585600141
                   +0 :              -0.00015999584790
                   +1 :               0.00000555672295
                   +2 :              -0.00029732042815
                4p
                   -1 :              -0.00004000829938
                   +0 :              -0.00013380302878
                   +1 :              -0.00011255620782
              7 vec=     0.209805     12.099475      1.580534   |vec|=   12.204073
                3s
                   +0 :              -0.00030723065695
                3p
                   -1 :              -0.00007072770731
                   +0 :               0.00004883860581
                   +1 :               0.00032527093327
                4s
                   +0 :               0.00092435947701
                5s
                   +0 :               0.00004206162453
                3d
                   -2 :               0.00007163788645
                   -1 :               0.00030254807292
                   +0 :               0.00043178333834
                   +1 :               0.00016151575902
                   +2 :               0.00011635019704
                4d
                   -2 :              -0.00003483328076
                   -1 :               0.00040756540104
                   +0 :              -0.00002394693012
                   +1 :              -0.00004585683105
                   +2 :              -0.00011141934911
                4p
                   -1 :               0.00033402844223
                   +0 :               0.00032954843060
                   +1 :              -0.00041845432553
              8 vec=    -7.570358    -10.359920      1.580534   |vec|=   12.928122
                3s
                   +0 :              -0.00020371610699
                3p
                   -1 :               0.00006903582160
                   +0 :              -0.00018699097619
                   +1 :               0.00027193888124
                4s
                   +0 :               0.00036070073872
                5s
                   +0 :               0.00001207373851
                3d
                   -2 :              -0.00018527167879
                   -1 :              -0.00004138502910
                   +0 :              -0.00014282424280
                   +1 :               0.00017437909581
                   +2 :               0.00005305783622
                4d
                   -2 :               0.00028879922310
                   -1 :              -0.00021374358321
                   +0 :              -0.00007537525684
                   +1 :              -0.00017445339446
                   +2 :               0.00010001942734
                4p
                   -1 :              -0.00008228451737
                   +0 :               0.00044031793819
                   +1 :              -0.00056866070147
              9 vec=     7.989968    -10.359920      1.580534   |vec|=   13.178225
                3s
                   +0 :              -0.00033979027082
                3p
                   -1 :               0.00013241612318
                   +0 :              -0.00005016897257
                   +1 :              -0.00020868291520
                4s
                   +0 :               0.00056758031979
                5s
                   +0 :              -0.00005465677785
                3d
                   -2 :              -0.00009790159468
                   -1 :              -0.00005589882034
                   +0 :              -0.00010358745604
                   +1 :              -0.00005368691065
                   +2 :              -0.00004059505833
                4d
                   -2 :              -0.00010566996261
                   -1 :              -0.00011508177436
                   +0 :              -0.00007820300454
                   +1 :               0.00013873752956
                   +2 :               0.00013488041654
                4p
                   -1 :              -0.00021241818965
                   +0 :               0.00006085307625
                   +1 :               0.00040402653942
             10 vec=     0.209805    -14.851799      1.580534   |vec|=   14.937136
                3s
                   +0 :              -0.00007851627096
                3p
                   -1 :              -0.00005354300471
                   +0 :              -0.00007924044455
                   +1 :               0.00002838847651
                4s
                   +0 :               0.00030145894477
                5s
                   +0 :              -0.00006077006070
                3d
                   -2 :               0.00001965133252
                   -1 :              -0.00006797049705
                   +0 :              -0.00004142733851
                   +1 :               0.00002418221068
                   +2 :               0.00006024237404
                4d
                   -2 :               0.00001948970460
                   -1 :               0.00000892106469
                   +0 :              -0.00003783206510
                   +1 :              -0.00001508981647
                   +2 :               0.00001075088832
                4p
                   -1 :               0.00001170398829
                   +0 :               0.00013946047022
                   +1 :              -0.00004077408153
             11 vec=   -15.350520      3.115717      1.580534   |vec|=   15.743070
                3s
                   +0 :              -0.00003363614268
                3p
                   -1 :               0.00001950046307
                   +0 :               0.00002721007793
                   +1 :               0.00000954947419
                4s
                   +0 :               0.00008591984886
                5s
                   +0 :              -0.00001489782099
                3d
                   -2 :               0.00010248487814
                   -1 :               0.00007555902836
                   +0 :              -0.00009338672589
                   +1 :              -0.00016143748139
                   +2 :              -0.00004819593792
                4d
                   -2 :              -0.00001187731962
                   -1 :              -0.00002290304582
                   +0 :               0.00001780590572
                   +1 :              -0.00002455159513
                   +2 :               0.00006428522080
                4p
                   -1 :              -0.00004181279179
                   +0 :               0.00004232632003
                   +1 :              -0.00005879984561
             12 vec=    15.770130      3.115717      1.580534   |vec|=   16.152486
                3s
                   +0 :              -0.00000009003677
                3p
                   -1 :               0.00001503993333
                   +0 :              -0.00002050075734
                   +1 :              -0.00001556794025
                4s
                   +0 :              -0.00009676150403
                5s
                   +0 :               0.00000163169634
                3d
                   -2 :              -0.00005916996022
                   -1 :               0.00005872563891
                   +0 :              -0.00003516843961
                   +1 :               0.00010737024807
                   +2 :              -0.00004502925441
                4d
                   -2 :              -0.00003188455303
                   -1 :              -0.00000308782756
                   +0 :              -0.00002284474635
                   +1 :               0.00002824175542
                   +2 :               0.00000329813086
                4p
                   -1 :              -0.00003990222379
                   +0 :               0.00008585839412
                   +1 :               0.00000847613456
             13 vec=   -15.350520     -5.868041      1.580534   |vec|=   16.509708
                3s
                   +0 :               0.00003962960679
                3p
                   -1 :              -0.00001332078708
                   +0 :               0.00000413401830
                   +1 :              -0.00002482734105
                4s
                   +0 :               0.00000421553413
                5s
                   +0 :              -0.00004281613439
                3d
                   -2 :               0.00010987473758
                   -1 :              -0.00004356297738
                   +0 :              -0.00009353682841
                   +1 :              -0.00001034565437
                   +2 :               0.00001972761370
                4d
                   -2 :               0.00000085544383
                   -1 :               0.00001853498230
                   +0 :               0.00003787089090
                   +1 :               0.00000994108515
                   +2 :               0.00002160870761
                4p
                   -1 :              -0.00000125151903
                   +0 :               0.00000150718486
                   +1 :              -0.00000079861511
             14 vec=    15.770130     -5.868041      1.580534   |vec|=   16.900562
                3s
                   +0 :              -0.00000834536728
                3p
                   -1 :              -0.00000482447158
                   +0 :               0.00000830697760
                   +1 :              -0.00004724633278
                4s
                   +0 :              -0.00002958331936
                5s
                   +0 :               0.00000839375882
                3d
                   -2 :              -0.00007804176375
                   -1 :              -0.00003183938742
                   +0 :              -0.00002316500078
                   +1 :               0.00004638502904
                   +2 :              -0.00004017271772
                4d
                   -2 :              -0.00001502356138
                   -1 :               0.00001849989858
                   +0 :              -0.00002661431213
                   +1 :               0.00000416311858
                   +2 :               0.00005848528138
                4p
                   -1 :               0.00000417781734
                   +0 :              -0.00001748245392
                   +1 :               0.00009050739719
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al(  4)  npairs=  14
              1 vec=     0.209805      3.115717     -5.671791   |vec|=    6.474637
                2s
                   +0 :               0.00421208010931
                2p
                   -1 :               0.00240378414844
                   +0 :              -0.00256955094182
                   +1 :               0.00029306280892
                3s
                   +0 :              -0.00968581140386
                4s
                   +0 :               0.00674566658024
                3p
                   -1 :              -0.00873704689642
                   +0 :               0.00860625468391
                   +1 :              -0.00016005352095
                4p
                   -1 :               0.00407989695851
                   +0 :              -0.00451806538226
                   +1 :               0.00005951352403
                3d
                   -2 :               0.00042332350729
                   -1 :               0.00109968088204
                   +0 :              -0.00089136117345
                   +1 :              -0.00013423607227
                   +2 :              -0.00119274646530
              2 vec=     0.209805     -5.868041     -5.671791   |vec|=    8.163770
                2s
                   +0 :              -0.00107079175893
                2p
                   -1 :               0.00130539401849
                   +0 :               0.00056150425186
                   +1 :              -0.00021650303405
                3s
                   +0 :              -0.01393302849330
                4s
                   +0 :              -0.00134126713284
                3p
                   -1 :               0.00889032292469
                   +0 :               0.00046870954616
                   +1 :               0.00514081187525
                4p
                   -1 :               0.00164420643599
                   +0 :               0.00038711737745
                   +1 :              -0.00112631515280
                3d
                   -2 :              -0.00175825860907
                   -1 :              -0.00044075539913
                   +0 :               0.00259786162806
                   +1 :              -0.00053484693698
                   +2 :               0.00383223228429
              3 vec=    -7.570358     -1.376162     -5.671791   |vec|=    9.558941
                2s
                   +0 :              -0.00039715806598
                2p
                   -1 :              -0.00096693447186
                   +0 :               0.00008206037020
                   +1 :              -0.00045695516714
                3s
                   +0 :               0.00057169868596
                4s
                   +0 :              -0.00007467759723
                3p
                   -1 :               0.00455991770198
                   +0 :              -0.00060845131336
                   +1 :               0.00165220701800
                4p
                   -1 :              -0.00098889074468
                   +0 :               0.00025363572146
                   +1 :              -0.00043469561352
                3d
                   -2 :              -0.00031238918322
                   -1 :              -0.00068640329568
                   +0 :              -0.00018780180235
                   +1 :              -0.00057519403203
                   +2 :              -0.00093505097074
              4 vec=     7.989968     -1.376162     -5.671791   |vec|=    9.894576
                2s
                   +0 :               0.00012791190102
                2p
                   -1 :               0.00001297642136
                   +0 :              -0.00036037936962
                   +1 :              -0.00025802935956
                3s
                   +0 :              -0.00028943380771
                4s
                   +0 :              -0.00001125091503
                3p
                   -1 :               0.00002412294468
                   +0 :               0.00223934183619
                   +1 :               0.00121366350338
                4p
                   -1 :               0.00011753890780
                   +0 :              -0.00058692906799
                   +1 :              -0.00055046729438
                3d
                   -2 :               0.00035649151777
                   -1 :              -0.00003170772816
                   +0 :              -0.00021798375876
                   +1 :               0.00042636450890
                   +2 :               0.00004891353818
              5 vec=    -7.570358      7.607596     -5.671791   |vec|=   12.138989
                2s
                   +0 :              -0.00024531726358
                2p
                   -1 :              -0.00001474209196
                   +0 :               0.00015754238991
                   +1 :               0.00018190870821
                3s
                   +0 :               0.00012572424729
                4s
                   +0 :              -0.00037932954414
                3p
                   -1 :               0.00030506967962
                   +0 :               0.00013786295820
                   +1 :              -0.00015499892364
                4p
                   -1 :              -0.00007334189694
                   +0 :               0.00018144074384
                   +1 :               0.00026741980339
                3d
                   -2 :              -0.00006614533735
                   -1 :              -0.00002732645223
                   +0 :              -0.00020184309145
                   +1 :              -0.00023093267805
                   +2 :              -0.00026695960681
              6 vec=     7.989968      7.607596     -5.671791   |vec|=   12.405012
                2s
                   +0 :              -0.00043225538775
                2p
                   -1 :              -0.00008614609752
                   +0 :               0.00015634070875
                   +1 :              -0.00024839218105
                3s
                   +0 :               0.00150122950077
                4s
                   +0 :              -0.00026519141921
                3p
                   -1 :               0.00072600406279
                   +0 :              -0.00042298842443
                   +1 :               0.00107996518703
                4p
                   -1 :               0.00003820755502
                   +0 :               0.00016947202244
                   +1 :              -0.00020637936373
                3d
                   -2 :               0.00040693053036
                   -1 :              -0.00021660601445
                   +0 :              -0.00016455060527
                   +1 :              -0.00013129563230
                   +2 :               0.00005838937346
              7 vec=     0.209805     12.099475     -5.671791   |vec|=   13.364525
                2s
                   +0 :               0.00024041025057
                2p
                   -1 :               0.00012068405838
                   +0 :              -0.00001601957696
                   +1 :              -0.00010392570249
                3s
                   +0 :              -0.00086550449478
                4s
                   +0 :               0.00022090091979
                3p
                   -1 :              -0.00071437813759
                   +0 :              -0.00008947558203
                   +1 :               0.00048614777707
                4p
                   -1 :               0.00014529155199
                   +0 :               0.00011192515037
                   +1 :              -0.00011114843582
                3d
                   -2 :               0.00023144989873
                   -1 :               0.00001699800514
                   +0 :              -0.00008831011473
                   +1 :              -0.00011131705019
                   +2 :               0.00003089656142
              8 vec=    -7.570358    -10.359920     -5.671791   |vec|=   14.028809
                2s
                   +0 :              -0.00039084744233
                2p
                   -1 :               0.00029643195722
                   +0 :               0.00005673834412
                   +1 :              -0.00002262300967
                3s
                   +0 :               0.00076443103864
                4s
                   +0 :              -0.00016078740385
                3p
                   -1 :              -0.00110105489144
                   +0 :              -0.00023487139485
                   +1 :               0.00031376829202
                4p
                   -1 :               0.00013370822308
                   +0 :               0.00003949926468
                   +1 :              -0.00012820768241
                3d
                   -2 :               0.00001738491646
                   -1 :               0.00017085126652
                   +0 :              -0.00010749732509
                   +1 :               0.00002276700822
                   +2 :              -0.00027121161844
              9 vec=     7.989968    -10.359920     -5.671791   |vec|=   14.259619
                2s
                   +0 :               0.00003091803462
                2p
                   -1 :              -0.00002613652537
                   +0 :               0.00002170177307
                   +1 :               0.00007476290223
                3s
                   +0 :              -0.00021201235048
                4s
                   +0 :              -0.00004515118134
                3p
                   -1 :               0.00001298052037
                   +0 :              -0.00028217100804
                   +1 :              -0.00046428285102
                4p
                   -1 :               0.00002843467874
                   +0 :               0.00007798336740
                   +1 :               0.00004107499559
                3d
                   -2 :               0.00016528513218
                   -1 :               0.00001980060350
                   +0 :              -0.00002633541315
                   +1 :               0.00003431189363
                   +2 :               0.00002221039877
             10 vec=     0.209805    -14.851799     -5.671791   |vec|=   15.899345
                2s
                   +0 :              -0.00007835022583
                2p
                   -1 :               0.00002469012036
                   +0 :              -0.00002131867847
                   +1 :              -0.00001380268555
                3s
                   +0 :               0.00001496857219
                4s
                   +0 :              -0.00003582979298
                3p
                   -1 :               0.00000798773877
                   +0 :               0.00016336783765
                   +1 :               0.00001552631649
                4p
                   -1 :               0.00000461315107
                   +0 :              -0.00006930134328
                   +1 :              -0.00001462264590
                3d
                   -2 :               0.00002466251301
                   -1 :              -0.00002135418938
                   +0 :               0.00000779652471
                   +1 :               0.00002125213082
                   +2 :               0.00001039817631
             11 vec=   -15.350520      3.115717     -5.671791   |vec|=   16.658793
                2s
                   +0 :               0.00002996628660
                2p
                   -1 :               0.00002089939471
                   +0 :               0.00000051492500
                   +1 :               0.00002645614399
                3s
                   +0 :              -0.00019223923329
                4s
                   +0 :               0.00002139083266
                3p
                   -1 :              -0.00022434655357
                   +0 :               0.00010219555763
                   +1 :              -0.00008315776267
                4p
                   -1 :               0.00004985804296
                   +0 :              -0.00002535505968
                   +1 :               0.00004658741403
                3d
                   -2 :               0.00001601882161
                   -1 :               0.00006195834648
                   +0 :              -0.00001328564780
                   +1 :              -0.00000983278348
                   +2 :               0.00003636794451
             12 vec=    15.770130      3.115717     -5.671791   |vec|=   17.046229
                2s
                   +0 :              -0.00006819394715
                2p
                   -1 :              -0.00002476420128
                   +0 :               0.00000199733691
                   +1 :              -0.00005104992511
                3s
                   +0 :               0.00016890597288
                4s
                   +0 :              -0.00007929329220
                3p
                   -1 :               0.00003951998051
                   +0 :               0.00011206256501
                   +1 :               0.00019110961125
                4p
                   -1 :              -0.00002178845030
                   +0 :              -0.00002251845624
                   +1 :              -0.00005820149855
                3d
                   -2 :               0.00000971014942
                   -1 :               0.00001330917591
                   +0 :              -0.00003829686478
                   +1 :               0.00001652918656
                   +2 :               0.00004054428610
             13 vec=   -15.350520     -5.868041     -5.671791   |vec|=   17.385097
                2s
                   +0 :              -0.00000181559882
                2p
                   -1 :              -0.00000263265125
                   +0 :               0.00000096600416
                   +1 :              -0.00001990011691
                3s
                   +0 :              -0.00012268740361
                4s
                   +0 :               0.00007084539783
                3p
                   -1 :               0.00005403062802
                   +0 :               0.00005863117173
                   +1 :               0.00015622341314
                4p
                   -1 :              -0.00003452309261
                   +0 :              -0.00003860192840
                   +1 :              -0.00006685793553
                3d
                   -2 :              -0.00003578842416
                   -1 :               0.00002031272458
                   +0 :              -0.00002887992120
                   +1 :              -0.00001908938636
                   +2 :               0.00000229861862
             14 vec=    15.770130     -5.868041     -5.671791   |vec|=   17.756693
                2s
                   +0 :              -0.00001498388757
                2p
                   -1 :               0.00002071944552
                   +0 :              -0.00000003697604
                   +1 :              -0.00001195237618
                3s
                   +0 :               0.00003832203518
                4s
                   +0 :              -0.00002608082974
                3p
                   -1 :              -0.00011788398000
                   +0 :              -0.00002094913128
                   +1 :               0.00003519512045
                4p
                   -1 :               0.00003451786747
                   +0 :               0.00001182955727
                   +1 :              -0.00000865341515
                3d
                   -2 :              -0.00000910364025
                   -1 :               0.00001823988071
                   +0 :              -0.00000307508893
                   +1 :              -0.00000605218232
                   +2 :              -0.00000289095552
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al(  5)  npairs=  13
              1 vec=    -2.383582     -1.376162     -9.763130   |vec|=   10.143668
                2s
                   +0 :              -0.00040741473009
                2p
                   -1 :               0.00022345728427
                   +0 :              -0.00025221950230
                   +1 :               0.00023568680828
                3s
                   +0 :              -0.00041334341698
                4s
                   +0 :               0.00016740492054
                3p
                   -1 :              -0.00114317926353
                   +0 :               0.00210743100385
                   +1 :              -0.00091822969089
                4p
                   -1 :               0.00016421547222
                   +0 :              -0.00072855369820
                   +1 :               0.00005831771971
                3d
                   -2 :              -0.00019307926202
                   -1 :              -0.00044146245811
                   +0 :              -0.00013503918936
                   +1 :              -0.00053848241615
                   +2 :               0.00017847591370
              2 vec=     5.396580      3.115717     -9.763130   |vec|=   11.582292
                2s
                   +0 :               0.00075357708808
                2p
                   -1 :               0.00002168057884
                   +0 :              -0.00016564618387
                   +1 :               0.00010925235803
                3s
                   +0 :              -0.00249320629511
                4s
                   +0 :               0.00108892254785
                3p
                   -1 :              -0.00013320038244
                   +0 :               0.00133525815497
                   +1 :              -0.00061369805912
                4p
                   -1 :              -0.00001579579208
                   +0 :              -0.00047632209440
                   +1 :               0.00022365977842
                3d
                   -2 :               0.00020739145864
                   -1 :               0.00003548891609
                   +0 :              -0.00028467374119
                   +1 :               0.00006856305426
                   +2 :               0.00011922002039
              3 vec=    -2.383582      7.607596     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00003907856043
                2p
                   -1 :              -0.00011474927199
                   +0 :               0.00004387361875
                   +1 :               0.00014674379804
                3s
                   +0 :              -0.00151204921325
                4s
                   +0 :              -0.00012783144016
                3p
                   -1 :              -0.00113329017064
                   +0 :               0.00028703581997
                   +1 :              -0.00043381171975
                4p
                   -1 :              -0.00018328968131
                   +0 :               0.00006940316593
                   +1 :               0.00025119080996
                3d
                   -2 :               0.00010569574354
                   -1 :               0.00014481357387
                   +0 :               0.00023565998988
                   +1 :              -0.00012730214127
                   +2 :               0.00038429914032
              4 vec=     5.396580     -5.868041     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00036494096562
                2p
                   -1 :               0.00023317158878
                   +0 :               0.00015276353943
                   +1 :              -0.00036781852752
                3s
                   +0 :              -0.00265870689334
                4s
                   +0 :              -0.00011771310748
                3p
                   -1 :               0.00033299438351
                   +0 :               0.00042572392868
                   +1 :              -0.00176769228974
                4p
                   -1 :               0.00021607570723
                   +0 :              -0.00010174080134
                   +1 :              -0.00017711857471
                3d
                   -2 :               0.00054315434754
                   -1 :              -0.00003617040480
                   +0 :               0.00045481100095
                   +1 :               0.00016420111368
                   +2 :              -0.00055417429424
              5 vec=   -10.163745      3.115717     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00010450548850
                2p
                   -1 :               0.00010332808805
                   +0 :              -0.00002144760330
                   +1 :              -0.00010572243700
                3s
                   +0 :              -0.00041703308733
                4s
                   +0 :               0.00019669987706
                3p
                   -1 :              -0.00054888593353
                   +0 :               0.00008379759464
                   +1 :               0.00052896978322
                4p
                   -1 :               0.00011012129317
                   +0 :              -0.00000752902250
                   +1 :              -0.00020768745171
                3d
                   -2 :               0.00008059064375
                   -1 :               0.00010256415879
                   +0 :               0.00002426667820
                   +1 :              -0.00005269887075
                   +2 :               0.00005271407647
              6 vec=    -2.383582    -10.359920     -9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00000100137073
                2p
                   -1 :               0.00003039788438
                   +0 :              -0.00002695790692
                   +1 :               0.00019847608073
                3s
                   +0 :              -0.00008206782754
                4s
                   +0 :              -0.00004546229521
                3p
                   -1 :              -0.00018555065118
                   +0 :               0.00014187090447
                   +1 :              -0.00089385649481
                4p
                   -1 :               0.00008175232021
                   +0 :              -0.00003904383969
                   +1 :               0.00016837768827
                3d
                   -2 :               0.00018474054520
                   -1 :              -0.00001734888956
                   +0 :               0.00001319447352
                   +1 :               0.00013340387722
                   +2 :              -0.00000924452999
              7 vec=    -2.383582     -1.376162     14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00000556082969
                2p
                   -1 :              -0.00010206036679
                   +0 :               0.00000581337637
                   +1 :               0.00002305294011
                3s
                   +0 :               0.00019194515370
                4s
                   +0 :              -0.00009051975088
                3p
                   -1 :               0.00072671198832
                   +0 :               0.00009309304898
                   +1 :               0.00002905649233
                4p
                   -1 :              -0.00014628677016
                   +0 :              -0.00006474913877
                   +1 :               0.00004171926935
                3d
                   -2 :               0.00001438446576
                   -1 :               0.00010857904548
                   +0 :               0.00002758277930
                   +1 :               0.00006054465277
                   +2 :              -0.00002599280929
              8 vec=   -10.163745     -5.868041     -9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00016129847576
                2p
                   -1 :               0.00006875065303
                   +0 :               0.00016724868580
                   +1 :               0.00009820306875
                3s
                   +0 :               0.00038114457592
                4s
                   +0 :              -0.00019092191303
                3p
                   -1 :              -0.00037955231988
                   +0 :              -0.00070790229169
                   +1 :              -0.00038379797082
                4p
                   -1 :               0.00015782775332
                   +0 :               0.00021831967120
                   +1 :               0.00009155011775
                3d
                   -2 :               0.00006425312634
                   -1 :               0.00010687622478
                   +0 :               0.00004124953986
                   +1 :               0.00022626529109
                   +2 :               0.00006352207349
              9 vec=     5.396580      3.115717     14.784412   |vec|=   16.043990
                2s
                   +0 :              -0.00003450567693
                2p
                   -1 :              -0.00004442004158
                   +0 :              -0.00000146057116
                   +1 :               0.00001561574773
                3s
                   +0 :               0.00018207266439
                4s
                   +0 :               0.00002435172010
                3p
                   -1 :               0.00018274663364
                   +0 :              -0.00001414498377
                   +1 :              -0.00022123891632
                4p
                   -1 :              -0.00000310180720
                   +0 :               0.00005657203138
                   +1 :               0.00005362086332
                3d
                   -2 :              -0.00001990019039
                   -1 :               0.00001250733754
                   +0 :               0.00002157924095
                   +1 :              -0.00001911025966
                   +2 :               0.00009669996230
             10 vec=     5.396580     12.099475     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00004172732333
                2p
                   -1 :               0.00004774651721
                   +0 :               0.00000381487143
                   +1 :               0.00003246765723
                3s
                   +0 :               0.00002111831242
                4s
                   +0 :               0.00009225339565
                3p
                   -1 :              -0.00014815862580
                   +0 :              -0.00011010099596
                   +1 :              -0.00022958548368
                4p
                   -1 :               0.00007545742611
                   +0 :               0.00002578484213
                   +1 :               0.00008140476573
                3d
                   -2 :               0.00000472014850
                   -1 :              -0.00005289481932
                   +0 :               0.00002782880293
                   +1 :               0.00002294961905
                   +2 :              -0.00000961532846
             11 vec=    13.176743     -1.376162     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00006996028617
                2p
                   -1 :               0.00001146435683
                   +0 :              -0.00000194561080
                   +1 :               0.00003892147269
                3s
                   +0 :              -0.00020900551475
                4s
                   +0 :               0.00006693811886
                3p
                   -1 :              -0.00007527202127
                   +0 :              -0.00001489100407
                   +1 :              -0.00011081269563
                4p
                   -1 :               0.00002849106508
                   +0 :               0.00001644077409
                   +1 :               0.00004286967015
                3d
                   -2 :               0.00002411347166
                   -1 :              -0.00002615539935
                   +0 :              -0.00000733532514
                   +1 :               0.00001830536624
                   +2 :               0.00000308231370
             12 vec=    -2.383582      7.607596     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00003086593143
                2p
                   -1 :              -0.00003090644019
                   +0 :               0.00000855828246
                   +1 :               0.00001064679935
                3s
                   +0 :              -0.00019183971957
                4s
                   +0 :               0.00005237229905
                3p
                   -1 :               0.00019681809458
                   +0 :              -0.00010926246287
                   +1 :              -0.00024588063096
                4p
                   -1 :              -0.00000556368298
                   +0 :               0.00000203532964
                   +1 :               0.00004294761211
                3d
                   -2 :               0.00000998041273
                   -1 :               0.00000767705193
                   +0 :              -0.00003511603728
                   +1 :              -0.00004865150741
                   +2 :               0.00007408412583
             13 vec=     5.396580     -5.868041     14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00014719704182
                2p
                   -1 :              -0.00000149377928
                   +0 :              -0.00002795947029
                   +1 :              -0.00002823465186
                3s
                   +0 :               0.00090104519530
                4s
                   +0 :              -0.00018029981614
                3p
                   -1 :              -0.00030520636832
                   +0 :               0.00024511816269
                   +1 :               0.00011817175406
                4p
                   -1 :               0.00002288868574
                   +0 :              -0.00003549704603
                   +1 :              -0.00004128402781
                3d
                   -2 :              -0.00002323450474
                   -1 :              -0.00006269745826
                   +0 :              -0.00005581626547
                   +1 :              -0.00000320636479
                   +2 :              -0.00013112851862
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al(  6)  npairs=  14
              1 vec=    -2.383582     -1.376162     -2.510804   |vec|=    3.725510
                2s
                   +0 :              -0.01953102573698
                2p
                   -1 :               0.01500200146105
                   +0 :               0.01891072386203
                   +1 :               0.02124113302935
                3s
                   +0 :              -0.09122891906231
                4s
                   +0 :              -0.00522368839969
                3p
                   -1 :               0.02247620892520
                   +0 :               0.03206832067070
                   +1 :               0.05663421462182
                4p
                   -1 :               0.00918136432962
                   +0 :               0.00966151614733
                   +1 :               0.00998718603635
                3d
                   -2 :              -0.03470700907830
                   -1 :              -0.01896450082133
                   +0 :               0.00968738391309
                   +1 :              -0.03475147456531
                   +2 :              -0.01961178160414
              2 vec=     5.396580      3.115717     -2.510804   |vec|=    6.718252
                2s
                   +0 :               0.00231830174480
                2p
                   -1 :               0.00113242135885
                   +0 :              -0.00045375116223
                   +1 :               0.00106712037370
                3s
                   +0 :              -0.01213330641257
                4s
                   +0 :               0.00470249471671
                3p
                   -1 :              -0.00375866068795
                   +0 :               0.00149589686792
                   +1 :              -0.00577990040493
                4p
                   -1 :               0.00198615616636
                   +0 :              -0.00136298281362
                   +1 :               0.00157360806899
                3d
                   -2 :              -0.00010601959661
                   -1 :              -0.00040451237395
                   +0 :              -0.00343066690182
                   +1 :               0.00083552844123
                   +2 :              -0.00112364577518
              3 vec=    -2.383582      7.607596     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00219287086744
                2p
                   -1 :              -0.00041369818043
                   +0 :               0.00061732046563
                   +1 :              -0.00021874938413
                3s
                   +0 :               0.01144387731176
                4s
                   +0 :              -0.00291732903969
                3p
                   -1 :               0.00369820689950
                   +0 :              -0.00577424690116
                   +1 :              -0.00004563439095
                4p
                   -1 :              -0.00063935018384
                   +0 :               0.00076395692363
                   +1 :               0.00024792988377
                3d
                   -2 :               0.00118917496475
                   -1 :              -0.00097371902993
                   +0 :               0.00149401639396
                   +1 :              -0.00054717845176
                   +2 :              -0.00035212081716
              4 vec=     5.396580     -5.868041     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00095519002962
                2p
                   -1 :               0.00035158737711
                   +0 :               0.00048900382564
                   +1 :              -0.00038773674942
                3s
                   +0 :               0.00682784011209
                4s
                   +0 :              -0.00298417456603
                3p
                   -1 :              -0.00383310368805
                   +0 :              -0.00469758153253
                   +1 :               0.00407039563816
                4p
                   -1 :               0.00158570183462
                   +0 :               0.00135104842708
                   +1 :              -0.00101728228170
                3d
                   -2 :              -0.00101486581020
                   -1 :               0.00111653533777
                   +0 :               0.00011994209752
                   +1 :              -0.00100935916927
                   +2 :               0.00010556222150
              5 vec=   -10.163745      3.115717     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00057356710014
                2p
                   -1 :              -0.00005203175763
                   +0 :              -0.00021240137516
                   +1 :               0.00034683935380
                3s
                   +0 :               0.00068058488269
                4s
                   +0 :              -0.00025548553653
                3p
                   -1 :              -0.00039844032646
                   +0 :               0.00075186726534
                   +1 :              -0.00084593440446
                4p
                   -1 :              -0.00006079983235
                   +0 :              -0.00022857246944
                   +1 :               0.00021982638049
                3d
                   -2 :               0.00021119090712
                   -1 :              -0.00022119902674
                   +0 :               0.00022733340146
                   +1 :              -0.00017584861577
                   +2 :               0.00030043960559
              6 vec=    -2.383582    -10.359920     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00001478602082
                2p
                   -1 :               0.00002775973471
                   +0 :               0.00008540082274
                   +1 :              -0.00016784305225
                3s
                   +0 :              -0.00080671074509
                4s
                   +0 :               0.00020307370104
                3p
                   -1 :               0.00070250964143
                   +0 :              -0.00032351806342
                   +1 :               0.00033872322219
                4p
                   -1 :              -0.00020556718789
                   +0 :               0.00011876177733
                   +1 :              -0.00002285465885
                3d
                   -2 :               0.00024047254275
                   -1 :               0.00006273504253
                   +0 :               0.00022929579019
                   +1 :              -0.00021661031349
                   +2 :              -0.00006557535070
              7 vec=   -10.163745     -5.868041     -2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00026961051771
                2p
                   -1 :               0.00011541304167
                   +0 :              -0.00013575763540
                   +1 :              -0.00004028231447
                3s
                   +0 :              -0.00118923672621
                4s
                   +0 :              -0.00009025319538
                3p
                   -1 :              -0.00062304910740
                   +0 :               0.00096292921331
                   +1 :               0.00010854815070
                4p
                   -1 :               0.00027439669221
                   +0 :              -0.00023856890150
                   +1 :               0.00029756783421
                3d
                   -2 :               0.00017079465782
                   -1 :              -0.00010918238005
                   +0 :              -0.00016616525969
                   +1 :              -0.00021719539052
                   +2 :              -0.00031281018108
              8 vec=     5.396580     12.099475     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00052769142220
                2p
                   -1 :              -0.00016032320131
                   +0 :               0.00007239305863
                   +1 :              -0.00000202183764
                3s
                   +0 :               0.00223639212163
                4s
                   +0 :              -0.00030530667760
                3p
                   -1 :               0.00074100559990
                   +0 :              -0.00071638512107
                   +1 :              -0.00026196643352
                4p
                   -1 :               0.00002392256462
                   +0 :               0.00009654681083
                   +1 :               0.00013046999845
                3d
                   -2 :              -0.00011915876655
                   -1 :              -0.00028212313314
                   +0 :               0.00025500030965
                   +1 :               0.00021141532374
                   +2 :              -0.00002194289372
              9 vec=    13.176743     -1.376162     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00008696965787
                2p
                   -1 :              -0.00006892984809
                   +0 :               0.00005438330835
                   +1 :               0.00002099357805
                3s
                   +0 :               0.00059831451696
                4s
                   +0 :              -0.00024271659854
                3p
                   -1 :               0.00025364443934
                   +0 :              -0.00035712950836
                   +1 :               0.00004264283374
                4p
                   -1 :              -0.00002510704513
                   +0 :               0.00007295348898
                   +1 :              -0.00006733062360
                3d
                   -2 :              -0.00003522781234
                   -1 :               0.00006104128167
                   +0 :               0.00006387549235
                   +1 :              -0.00013119872406
                   +2 :              -0.00012083828323
             10 vec=    13.176743      7.607596     -2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00000419130296
                2p
                   -1 :              -0.00000060061782
                   +0 :               0.00001518704950
                   +1 :               0.00002802036169
                3s
                   +0 :               0.00018141905155
                4s
                   +0 :              -0.00000058563840
                3p
                   -1 :               0.00009252090721
                   +0 :              -0.00006588776000
                   +1 :              -0.00008335338786
                4p
                   -1 :               0.00001935517570
                   +0 :               0.00000452016874
                   +1 :               0.00002184221716
                3d
                   -2 :              -0.00000295797435
                   -1 :              -0.00004897929402
                   +0 :               0.00002284720907
                   +1 :              -0.00002401111570
                   +2 :              -0.00000439120955
             11 vec=   -10.163745     12.099475     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00003370066616
                2p
                   -1 :              -0.00002293753607
                   +0 :               0.00002283623811
                   +1 :              -0.00000375329282
                3s
                   +0 :              -0.00032047851448
                4s
                   +0 :               0.00003626503967
                3p
                   -1 :               0.00006671553575
                   +0 :              -0.00017135067210
                   +1 :               0.00014146048978
                4p
                   -1 :              -0.00003264391446
                   +0 :               0.00002718938301
                   +1 :              -0.00002267153677
                3d
                   -2 :              -0.00007193076355
                   -1 :               0.00002826593420
                   +0 :              -0.00004609630353
                   +1 :               0.00015247109921
                   +2 :              -0.00005324473139
             12 vec=     5.396580    -14.851799     -2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00002365900445
                2p
                   -1 :               0.00003960473388
                   +0 :              -0.00001383189822
                   +1 :               0.00002359887696
                3s
                   +0 :              -0.00027734931349
                4s
                   +0 :               0.00003802936777
                3p
                   -1 :               0.00001715680226
                   +0 :              -0.00011732603004
                   +1 :              -0.00010764525897
                4p
                   -1 :               0.00000885656767
                   +0 :              -0.00000363353896
                   +1 :               0.00004910385029
                3d
                   -2 :              -0.00002384219406
                   -1 :               0.00005869315698
                   +0 :              -0.00004474359283
                   +1 :              -0.00000344464760
                   +2 :               0.00000180379699
             13 vec=    -2.383582     16.591354     -2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00003157738041
                2p
                   -1 :              -0.00000583863347
                   +0 :              -0.00000445199285
                   +1 :               0.00000872280644
                3s
                   +0 :               0.00010278053472
                4s
                   +0 :              -0.00003741938600
                3p
                   -1 :              -0.00001052176569
                   +0 :               0.00000283217665
                   +1 :              -0.00011576792285
                4p
                   -1 :               0.00000384385860
                   +0 :               0.00001425757345
                   +1 :               0.00000106744313
                3d
                   -2 :              -0.00005718726267
                   -1 :               0.00000043828875
                   +0 :              -0.00000536033938
                   +1 :               0.00001565590922
                   +2 :               0.00000658716592
             14 vec=    13.176743    -10.359920     -2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00001495419855
                2p
                   -1 :              -0.00000662852217
                   +0 :              -0.00000933897118
                   +1 :              -0.00002004685053
                3s
                   +0 :              -0.00008292483987
                4s
                   +0 :               0.00001372600552
                3p
                   -1 :               0.00003295739315
                   +0 :               0.00002659642007
                   +1 :               0.00008168082808
                4p
                   -1 :              -0.00001788522616
                   +0 :              -0.00000956496913
                   +1 :              -0.00002394122192
                3d
                   -2 :               0.00000769144318
                   -1 :              -0.00002142302175
                   +0 :              -0.00000285694742
                   +1 :               0.00002163188903
                   +2 :               0.00002671311867
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al(  7)  npairs=  13
              1 vec=    -2.383582     -1.376162      9.762967   |vec|=   10.143511
                2s
                   +0 :               0.00032833540662
                2p
                   -1 :              -0.00007914192264
                   +0 :              -0.00026130433929
                   +1 :              -0.00032370030900
                3s
                   +0 :               0.00098625017292
                4s
                   +0 :              -0.00026931601543
                3p
                   -1 :              -0.00016967561711
                   +0 :               0.00244080600633
                   +1 :               0.00140524514099
                4p
                   -1 :               0.00015247939929
                   +0 :              -0.00078024029539
                   +1 :              -0.00013711947889
                3d
                   -2 :              -0.00012883963793
                   -1 :              -0.00022140887526
                   +0 :               0.00028928000785
                   +1 :              -0.00065234852450
                   +2 :               0.00008305082809
              2 vec=     5.396580      3.115717      9.762967   |vec|=   11.582154
                2s
                   +0 :              -0.00061657024631
                2p
                   -1 :              -0.00006181570731
                   +0 :              -0.00014374788115
                   +1 :              -0.00001966455789
                3s
                   +0 :               0.00091181045668
                4s
                   +0 :              -0.00101381641032
                3p
                   -1 :               0.00148714788969
                   +0 :               0.00089344108561
                   +1 :              -0.00091556719902
                4p
                   -1 :              -0.00021070047329
                   +0 :              -0.00036668448003
                   +1 :              -0.00002111458296
                3d
                   -2 :              -0.00000092553184
                   -1 :               0.00003931449341
                   +0 :               0.00034801592845
                   +1 :              -0.00007241343012
                   +2 :              -0.00012715551755
              3 vec=    -2.383582      7.607596      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00063985481739
                2p
                   -1 :               0.00029956710415
                   +0 :               0.00022191136364
                   +1 :              -0.00016509536970
                3s
                   +0 :              -0.00025763041561
                4s
                   +0 :               0.00061752480346
                3p
                   -1 :               0.00124512630618
                   +0 :              -0.00068793716778
                   +1 :               0.00145591570841
                4p
                   -1 :               0.00011212049889
                   +0 :               0.00017404760899
                   +1 :              -0.00032336426689
                3d
                   -2 :               0.00020627038760
                   -1 :               0.00003424445052
                   +0 :              -0.00043095850515
                   +1 :               0.00020911288519
                   +2 :              -0.00042570474550
              4 vec=     5.396580     -5.868041      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00001080397155
                2p
                   -1 :              -0.00022960785383
                   +0 :               0.00004769757713
                   +1 :               0.00004093158206
                3s
                   +0 :               0.00202897479383
                4s
                   +0 :               0.00000901951555
                3p
                   -1 :              -0.00003595988555
                   +0 :               0.00038177088017
                   +1 :               0.00125024681386
                4p
                   -1 :              -0.00037016739882
                   +0 :               0.00000148962173
                   +1 :              -0.00001808394349
                3d
                   -2 :              -0.00030767985669
                   -1 :              -0.00012639344996
                   +0 :              -0.00025820841335
                   +1 :               0.00008931002211
                   +2 :               0.00016724064454
              5 vec=   -10.163745      3.115717      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00005233663979
                2p
                   -1 :              -0.00009568112311
                   +0 :              -0.00001345654360
                   +1 :              -0.00009582864432
                3s
                   +0 :               0.00027779034192
                4s
                   +0 :               0.00009106636584
                3p
                   -1 :               0.00059863052616
                   +0 :               0.00000106936993
                   +1 :               0.00045400793996
                4p
                   -1 :              -0.00004286913843
                   +0 :              -0.00000859288015
                   +1 :              -0.00019293859949
                3d
                   -2 :              -0.00006983825136
                   -1 :               0.00013709838079
                   +0 :              -0.00007288227884
                   +1 :               0.00005624089284
                   +2 :              -0.00010029705842
              6 vec=    -2.383582    -10.359920      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00009588537359
                2p
                   -1 :               0.00012635309906
                   +0 :              -0.00001333118692
                   +1 :              -0.00001444315342
                3s
                   +0 :               0.00051640571580
                4s
                   +0 :              -0.00017489177084
                3p
                   -1 :              -0.00062839895991
                   +0 :               0.00009371928674
                   +1 :              -0.00005854347644
                4p
                   -1 :               0.00020035636147
                   +0 :              -0.00002211848110
                   +1 :               0.00002201451630
                3d
                   -2 :              -0.00004778874733
                   -1 :              -0.00007183133477
                   +0 :              -0.00003468859152
                   +1 :               0.00003476409883
                   +2 :              -0.00000246398790
              7 vec=    -2.383582     -1.376162    -14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00001566464264
                2p
                   -1 :              -0.00007605425343
                   +0 :               0.00001534485107
                   +1 :               0.00010434044808
                3s
                   +0 :              -0.00043702777015
                4s
                   +0 :               0.00010873710142
                3p
                   -1 :               0.00033492087625
                   +0 :               0.00022718492571
                   +1 :              -0.00060445652715
                4p
                   -1 :              -0.00011760221986
                   +0 :              -0.00008278782930
                   +1 :               0.00012124270072
                3d
                   -2 :               0.00002271745598
                   -1 :              -0.00000627031271
                   +0 :              -0.00005658592649
                   +1 :               0.00010390400863
                   +2 :              -0.00005007177978
              8 vec=   -10.163745     -5.868041      9.762967   |vec|=   15.266013
                2s
                   +0 :               0.00016893831664
                2p
                   -1 :              -0.00003766995802
                   +0 :               0.00017139829649
                   +1 :              -0.00012240811841
                3s
                   +0 :              -0.00034551530044
                4s
                   +0 :               0.00017677294320
                3p
                   -1 :               0.00002544377560
                   +0 :              -0.00072759076179
                   +1 :               0.00061871603495
                4p
                   -1 :               0.00001518728912
                   +0 :               0.00020837233903
                   +1 :              -0.00020066735724
                3d
                   -2 :              -0.00006200055788
                   -1 :               0.00011471766742
                   +0 :              -0.00004625040558
                   +1 :               0.00024074416128
                   +2 :              -0.00004437742801
              9 vec=     5.396580      3.115717    -14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00000013316256
                2p
                   -1 :              -0.00002516448258
                   +0 :               0.00000300481704
                   +1 :               0.00000916223438
                3s
                   +0 :              -0.00005828582537
                4s
                   +0 :              -0.00003564136446
                3p
                   -1 :               0.00012499481200
                   +0 :              -0.00008881272390
                   +1 :               0.00010809559613
                4p
                   -1 :              -0.00002234932916
                   +0 :               0.00005331984503
                   +1 :              -0.00004167087741
                3d
                   -2 :              -0.00001725278699
                   -1 :              -0.00003000563959
                   +0 :              -0.00003362209570
                   +1 :              -0.00002426746987
                   +2 :               0.00001890150245
             10 vec=     5.396580     12.099475      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00005881689845
                2p
                   -1 :              -0.00006430641731
                   +0 :              -0.00000412780550
                   +1 :              -0.00002898866235
                3s
                   +0 :               0.00017767409260
                4s
                   +0 :              -0.00006810027890
                3p
                   -1 :               0.00029116563466
                   +0 :               0.00001117655335
                   +1 :               0.00009754839304
                4p
                   -1 :              -0.00007583530379
                   +0 :               0.00001745657357
                   +1 :              -0.00003492503980
                3d
                   -2 :               0.00001600292129
                   -1 :               0.00008448057413
                   +0 :              -0.00000242085785
                   +1 :              -0.00002289147458
                   +2 :              -0.00007996972909
             11 vec=    13.176743     -1.376162      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00007820635819
                2p
                   -1 :               0.00000229460418
                   +0 :              -0.00000521067335
                   +1 :              -0.00005654384651
                3s
                   +0 :               0.00045281722969
                4s
                   +0 :              -0.00012876689936
                3p
                   -1 :               0.00000654850963
                   +0 :               0.00005998861605
                   +1 :               0.00031463694083
                4p
                   -1 :              -0.00002484477378
                   +0 :              -0.00001749873955
                   +1 :              -0.00009730529928
                3d
                   -2 :              -0.00002328936875
                   -1 :               0.00000249313014
                   +0 :              -0.00000918513322
                   +1 :              -0.00001211423727
                   +2 :              -0.00000980142427
             12 vec=    -2.383582      7.607596    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00007524215490
                2p
                   -1 :               0.00001243141116
                   +0 :              -0.00001306003419
                   +1 :               0.00004079033449
                3s
                   +0 :              -0.00041751158817
                4s
                   +0 :               0.00010950149666
                3p
                   -1 :              -0.00017197950721
                   +0 :               0.00008166268306
                   +1 :               0.00003100984307
                4p
                   -1 :               0.00003557739804
                   +0 :              -0.00001905641665
                   +1 :               0.00002416720114
                3d
                   -2 :               0.00009952384103
                   -1 :               0.00001393634832
                   +0 :               0.00006042748141
                   +1 :              -0.00002720094486
                   +2 :              -0.00003289606239
             13 vec=     5.396580     -5.868041    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00006141973520
                2p
                   -1 :               0.00000963709621
                   +0 :               0.00000076631853
                   +1 :               0.00001711409487
                3s
                   +0 :              -0.00054607852608
                4s
                   +0 :               0.00010090226760
                3p
                   -1 :               0.00007156628799
                   +0 :               0.00003576761787
                   +1 :              -0.00009810026729
                4p
                   -1 :              -0.00000062407233
                   +0 :              -0.00002293790889
                   +1 :              -0.00000312566810
                3d
                   -2 :              -0.00010960644533
                   -1 :               0.00000607236196
                   +0 :               0.00009647305627
                   +1 :              -0.00004176067178
                   +2 :               0.00004439612058
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al(  8)  npairs=  14
              1 vec=    -2.383582     -1.376162      2.510641   |vec|=    3.725400
                2s
                   +0 :               0.02096543895176
                2p
                   -1 :              -0.01144275144193
                   +0 :               0.01915073627077
                   +1 :              -0.02418437012665
                3s
                   +0 :               0.08677639275916
                4s
                   +0 :               0.00584044240935
                3p
                   -1 :              -0.03213299503936
                   +0 :               0.02889075195456
                   +1 :              -0.04252621888903
                4p
                   -1 :              -0.00460386440681
                   +0 :               0.00982448112619
                   +1 :              -0.01317437227754
                3d
                   -2 :               0.03060896695591
                   -1 :              -0.01790447893836
                   +0 :              -0.00781454288961
                   +1 :              -0.03528501342751
                   +2 :               0.02038409110897
              2 vec=     5.396580      3.115717      2.510641   |vec|=    6.718191
                2s
                   +0 :              -0.00184734952551
                2p
                   -1 :              -0.00036097869188
                   +0 :              -0.00043508910714
                   +1 :              -0.00139825129746
                3s
                   +0 :               0.00908109319837
                4s
                   +0 :              -0.00513632042839
                3p
                   -1 :               0.00107352694147
                   +0 :              -0.00003459023227
                   +1 :               0.00719699255742
                4p
                   -1 :              -0.00073709771158
                   +0 :              -0.00133479988090
                   +1 :              -0.00278496534507
                3d
                   -2 :               0.00103275720978
                   -1 :              -0.00036369164737
                   +0 :               0.00136603334806
                   +1 :               0.00083848762480
                   +2 :              -0.00022641072756
              3 vec=    -2.383582      7.607596      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00044039660003
                2p
                   -1 :               0.00080121696201
                   +0 :               0.00022855541137
                   +1 :              -0.00033265450644
                3s
                   +0 :              -0.00306698843715
                4s
                   +0 :               0.00233865444983
                3p
                   -1 :              -0.00805243386857
                   +0 :              -0.00335150241147
                   +1 :               0.00410894350490
                4p
                   -1 :               0.00150704359297
                   +0 :               0.00102073398950
                   +1 :              -0.00101971992823
                3d
                   -2 :               0.00348096244879
                   -1 :              -0.00149541472260
                   +0 :               0.00084631854215
                   +1 :               0.00321666713635
                   +2 :               0.00106674785188
              4 vec=     5.396580     -5.868041      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00123698208081
                2p
                   -1 :               0.00003968381022
                   +0 :               0.00028337703136
                   +1 :               0.00033046222645
                3s
                   +0 :              -0.00504673853019
                4s
                   +0 :               0.00174386597321
                3p
                   -1 :               0.00090824448736
                   +0 :              -0.00287640108625
                   +1 :              -0.00267608478415
                4p
                   -1 :              -0.00018670927921
                   +0 :               0.00058780326775
                   +1 :               0.00031808148368
                3d
                   -2 :               0.00043627323358
                   -1 :               0.00008915442763
                   +0 :              -0.00054414009417
                   +1 :              -0.00047321329680
                   +2 :              -0.00078506430554
              5 vec=   -10.163745      3.115717      2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00011542459070
                2p
                   -1 :              -0.00002255901282
                   +0 :              -0.00000534596546
                   +1 :               0.00006162008985
                3s
                   +0 :               0.00121913109244
                4s
                   +0 :              -0.00012482777987
                3p
                   -1 :               0.00079245094882
                   +0 :              -0.00005946111801
                   +1 :              -0.00065031234725
                4p
                   -1 :              -0.00005333547800
                   +0 :              -0.00004333894218
                   +1 :               0.00010098255349
                3d
                   -2 :              -0.00030389617749
                   -1 :              -0.00020649166044
                   +0 :              -0.00000035836117
                   +1 :              -0.00002927260030
                   +2 :              -0.00012829414879
              6 vec=    -2.383582    -10.359920      2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00018268995929
                2p
                   -1 :              -0.00028321302803
                   +0 :              -0.00031963055734
                   +1 :              -0.00003872093093
                3s
                   +0 :               0.00059079063848
                4s
                   +0 :               0.00022685667535
                3p
                   -1 :               0.00041257912494
                   +0 :               0.00112580547916
                   +1 :               0.00061392584797
                4p
                   -1 :              -0.00044486893148
                   +0 :              -0.00026281679044
                   +1 :              -0.00013583490892
                3d
                   -2 :              -0.00028556728542
                   -1 :              -0.00018017404622
                   +0 :               0.00010850804163
                   +1 :              -0.00034251058969
                   +2 :              -0.00016621466952
              7 vec=   -10.163745     -5.868041      2.510641   |vec|=   12.001622
                2s
                   +0 :              -0.00020948279165
                2p
                   -1 :               0.00023363268227
                   +0 :              -0.00007632546721
                   +1 :              -0.00005153502413
                3s
                   +0 :               0.00059492307638
                4s
                   +0 :              -0.00012558275994
                3p
                   -1 :              -0.00138624709212
                   +0 :               0.00042802087921
                   +1 :               0.00029923951448
                4p
                   -1 :               0.00028080257934
                   +0 :              -0.00023268513149
                   +1 :              -0.00027265172534
                3d
                   -2 :               0.00037021260324
                   -1 :              -0.00032462847871
                   +0 :              -0.00013149251115
                   +1 :               0.00003195183458
                   +2 :              -0.00042214982751
              8 vec=     5.396580     12.099475      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00026317434730
                2p
                   -1 :               0.00012073511273
                   +0 :               0.00003679445951
                   +1 :               0.00010798315216
                3s
                   +0 :              -0.00019382250443
                4s
                   +0 :               0.00011641294455
                3p
                   -1 :              -0.00030071338508
                   +0 :               0.00010561200725
                   +1 :              -0.00056762351578
                4p
                   -1 :               0.00010410330971
                   +0 :               0.00003766012151
                   +1 :               0.00005058413797
                3d
                   -2 :               0.00009005227605
                   -1 :              -0.00003295817286
                   +0 :               0.00023803733660
                   +1 :              -0.00014888290177
                   +2 :               0.00001969948124
              9 vec=    13.176743     -1.376162      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00001376820297
                2p
                   -1 :              -0.00000142326711
                   +0 :              -0.00003815747827
                   +1 :               0.00002184658270
                3s
                   +0 :               0.00009711000049
                4s
                   +0 :               0.00009214258860
                3p
                   -1 :              -0.00001088265090
                   +0 :              -0.00002970444772
                   +1 :              -0.00004127547337
                4p
                   -1 :               0.00001458220607
                   +0 :               0.00006579408187
                   +1 :               0.00013712192958
                3d
                   -2 :              -0.00004833866237
                   -1 :               0.00004033335052
                   +0 :               0.00001098731004
                   +1 :               0.00007570988701
                   +2 :               0.00009021426558
             10 vec=    13.176743      7.607596      2.510641   |vec|=   15.420940
                2s
                   +0 :              -0.00010838184977
                2p
                   -1 :              -0.00002554626993
                   +0 :               0.00001793108275
                   +1 :              -0.00005608930562
                3s
                   +0 :               0.00051676311721
                4s
                   +0 :              -0.00008567559599
                3p
                   -1 :               0.00018169223804
                   +0 :              -0.00008138476826
                   +1 :               0.00024125336452
                4p
                   -1 :              -0.00003381909096
                   +0 :               0.00001409349260
                   +1 :              -0.00002757798995
                3d
                   -2 :               0.00005864093523
                   -1 :              -0.00002828983770
                   +0 :               0.00002174263083
                   +1 :              -0.00003058492555
                   +2 :               0.00002417705041
             11 vec=   -10.163745     12.099475      2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00002894505775
                2p
                   -1 :               0.00000667842235
                   +0 :               0.00000106226148
                   +1 :              -0.00001208447575
                3s
                   +0 :               0.00003472066862
                4s
                   +0 :              -0.00001690428614
                3p
                   -1 :              -0.00003872311230
                   +0 :              -0.00012057285760
                   +1 :              -0.00007445445237
                4p
                   -1 :               0.00000399706151
                   +0 :               0.00001592959153
                   +1 :               0.00001665554915
                3d
                   -2 :              -0.00001621020948
                   -1 :              -0.00003033969299
                   +0 :              -0.00000181193644
                   +1 :              -0.00003139694224
                   +2 :               0.00002251902627
             12 vec=     5.396580    -14.851799      2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00004666595518
                2p
                   -1 :               0.00003800204343
                   +0 :               0.00000351914337
                   +1 :               0.00001844353078
                3s
                   +0 :               0.00027728543757
                4s
                   +0 :              -0.00009888111915
                3p
                   -1 :              -0.00031907731680
                   +0 :              -0.00014651731891
                   +1 :              -0.00015543545897
                4p
                   -1 :               0.00007144581952
                   +0 :              -0.00000032628687
                   +1 :               0.00000736328844
                3d
                   -2 :               0.00002815914870
                   -1 :               0.00004091082508
                   +0 :               0.00001079689318
                   +1 :               0.00001142172011
                   +2 :              -0.00003907866556
             13 vec=    -2.383582     16.591354      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00000936801989
                2p
                   -1 :               0.00001926557809
                   +0 :              -0.00000490909764
                   +1 :              -0.00001277022884
                3s
                   +0 :               0.00005923551425
                4s
                   +0 :               0.00000002805370
                3p
                   -1 :              -0.00010579449664
                   +0 :              -0.00001500317451
                   +1 :              -0.00001894038671
                4p
                   -1 :               0.00001494682090
                   +0 :              -0.00000812904045
                   +1 :              -0.00000334931851
                3d
                   -2 :               0.00000290049330
                   -1 :               0.00000293871702
                   +0 :               0.00003180071712
                   +1 :              -0.00001293547090
                   +2 :              -0.00001481880449
             14 vec=    13.176743    -10.359920      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00002233388445
                2p
                   -1 :              -0.00002075564480
                   +0 :               0.00001026189460
                   +1 :               0.00000415686878
                3s
                   +0 :              -0.00003255028266
                4s
                   +0 :              -0.00000406411812
                3p
                   -1 :               0.00011005986692
                   +0 :              -0.00012509174124
                   +1 :              -0.00000014235938
                4p
                   -1 :              -0.00002762613256
                   +0 :               0.00002780355317
                   +1 :              -0.00001795961122
                3d
                   -2 :               0.00002673872874
                   -1 :               0.00002562934010
                   +0 :               0.00000419779592
                   +1 :              -0.00000055857071
                   +2 :               0.00001203548649
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al(  9)  npairs=  14
              1 vec=     2.803193     -1.376162     -1.580453   |vec|=    3.499934
                2s
                   +0 :              -0.02291318675065
                2p
                   -1 :               0.01049979830679
                   +0 :               0.00420654117797
                   +1 :              -0.01961993986025
                3s
                   +0 :              -0.03459148111113
                4s
                   +0 :              -0.00980269996572
                3p
                   -1 :               0.02149856803095
                   +0 :              -0.01654715136765
                   +1 :              -0.05699755905266
                4p
                   -1 :               0.00570646325601
                   +0 :               0.00303024702448
                   +1 :              -0.00784220824841
                3d
                   -2 :               0.02920210573482
                   -1 :              -0.00024146803814
                   +0 :               0.03188579191301
                   +1 :              -0.00005959782511
                   +2 :              -0.02445051203066
              2 vec=    -4.976970      3.115717     -1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00184096142258
                2p
                   -1 :               0.00108487062586
                   +0 :               0.00024674427626
                   +1 :              -0.00094182696814
                3s
                   +0 :              -0.00787809969037
                4s
                   +0 :               0.00310486177212
                3p
                   -1 :               0.00011916672566
                   +0 :               0.00313193917749
                   +1 :               0.00686702537155
                4p
                   -1 :               0.00096658957104
                   +0 :               0.00026120368004
                   +1 :              -0.00129030963944
                3d
                   -2 :               0.00061331501726
                   -1 :               0.00052780690959
                   +0 :              -0.00069942529112
                   +1 :              -0.00157377093936
                   +2 :              -0.00254750430698
              3 vec=    -4.976970     -5.868041     -1.580453   |vec|=    7.855060
                2s
                   +0 :              -0.00035550356246
                2p
                   -1 :              -0.00033816716194
                   +0 :              -0.00022012475105
                   +1 :               0.00065663517760
                3s
                   +0 :               0.00550772860727
                4s
                   +0 :              -0.00095738596307
                3p
                   -1 :              -0.00237565778675
                   +0 :               0.00259358016001
                   +1 :              -0.00764384497664
                4p
                   -1 :              -0.00012882334054
                   +0 :              -0.00109243109077
                   +1 :               0.00102985134031
                3d
                   -2 :               0.00159602460104
                   -1 :              -0.00001406565358
                   +0 :              -0.00163969173387
                   +1 :               0.00042681221823
                   +2 :               0.00192371420701
              4 vec=     2.803193      7.607596     -1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00075019267939
                2p
                   -1 :               0.00082587588399
                   +0 :              -0.00004820549548
                   +1 :               0.00104387584021
                3s
                   +0 :               0.00030027831717
                4s
                   +0 :               0.00188388190923
                3p
                   -1 :              -0.00258344215497
                   +0 :              -0.00049288807067
                   +1 :              -0.00848929773461
                4p
                   -1 :               0.00094946029063
                   +0 :              -0.00041822230784
                   +1 :               0.00217081654389
                3d
                   -2 :              -0.00228336729161
                   -1 :               0.00005019221137
                   +0 :               0.00014935253904
                   +1 :               0.00188073005161
                   +2 :              -0.00004147118034
              5 vec=     2.803193    -10.359920     -1.580453   |vec|=   10.848210
                2s
                   +0 :               0.00012046057427
                2p
                   -1 :               0.00006570592129
                   +0 :               0.00008162212768
                   +1 :               0.00015752302556
                3s
                   +0 :              -0.00176056034858
                4s
                   +0 :               0.00031482611082
                3p
                   -1 :               0.00065247914033
                   +0 :              -0.00142835364764
                   +1 :              -0.00063267417764
                4p
                   -1 :              -0.00022755526384
                   +0 :               0.00018644282450
                   +1 :               0.00014817374980
                3d
                   -2 :              -0.00011813169195
                   -1 :               0.00053858215479
                   +0 :              -0.00010493562164
                   +1 :              -0.00006909134110
                   +2 :              -0.00015026938532
              6 vec=    10.583355      3.115717     -1.580453   |vec|=   11.145086
                2s
                   +0 :              -0.00009275115851
                2p
                   -1 :               0.00015580602773
                   +0 :               0.00005652075957
                   +1 :              -0.00012330108190
                3s
                   +0 :              -0.00010221571638
                4s
                   +0 :               0.00030202816010
                3p
                   -1 :              -0.00094281988394
                   +0 :              -0.00109594316897
                   +1 :               0.00028391753578
                4p
                   -1 :               0.00021875011140
                   +0 :               0.00014767857869
                   +1 :               0.00012239986218
                3d
                   -2 :              -0.00003728954840
                   -1 :              -0.00019957733163
                   +0 :              -0.00014409758148
                   +1 :              -0.00032920544630
                   +2 :               0.00028724811831
              7 vec=    10.583355     -5.868041     -1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00001141842350
                2p
                   -1 :               0.00003981223543
                   +0 :              -0.00020190100237
                   +1 :              -0.00003013557708
                3s
                   +0 :              -0.00017997372866
                4s
                   +0 :              -0.00010391623603
                3p
                   -1 :              -0.00010900391964
                   +0 :               0.00112283983397
                   +1 :               0.00002055688810
                4p
                   -1 :               0.00002019930899
                   +0 :              -0.00029386541053
                   +1 :              -0.00010440704568
                3d
                   -2 :              -0.00010610523887
                   -1 :              -0.00003092601681
                   +0 :              -0.00015176185976
                   +1 :               0.00009260841093
                   +2 :              -0.00001063518517
              8 vec=   -12.757133     -1.376162     -1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00017369735885
                2p
                   -1 :               0.00007536087381
                   +0 :               0.00019334149322
                   +1 :               0.00003856881854
                3s
                   +0 :              -0.00074109164945
                4s
                   +0 :               0.00012619029984
                3p
                   -1 :              -0.00014490387795
                   +0 :              -0.00090700183603
                   +1 :              -0.00034599320210
                4p
                   -1 :               0.00005186840011
                   +0 :               0.00030431484072
                   +1 :               0.00013090953132
                3d
                   -2 :               0.00003752020040
                   -1 :              -0.00015986010483
                   +0 :              -0.00008381388937
                   +1 :               0.00021984291779
                   +2 :               0.00022119149591
              9 vec=    -4.976970     12.099475     -1.580453   |vec|=   13.178215
                2s
                   +0 :              -0.00043576262695
                2p
                   -1 :              -0.00020400617385
                   +0 :               0.00006678673164
                   +1 :               0.00002004254627
                3s
                   +0 :               0.00262027544412
                4s
                   +0 :              -0.00041187502735
                3p
                   -1 :               0.00152127309429
                   +0 :              -0.00067629559178
                   +1 :               0.00026212261706
                4p
                   -1 :              -0.00016259450178
                   +0 :               0.00007366023048
                   +1 :               0.00000918850932
                3d
                   -2 :               0.00018965123963
                   -1 :              -0.00034412503317
                   +0 :               0.00004855081132
                   +1 :              -0.00008287412445
                   +2 :              -0.00021555116960
             10 vec=   -12.757133      7.607596     -1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00000824863563
                2p
                   -1 :              -0.00000564142696
                   +0 :               0.00001137804484
                   +1 :               0.00000596969434
                3s
                   +0 :               0.00019801136387
                4s
                   +0 :              -0.00003843617967
                3p
                   -1 :               0.00010030020829
                   +0 :               0.00002749053433
                   +1 :              -0.00011725203204
                4p
                   -1 :              -0.00005048258543
                   +0 :              -0.00001884456414
                   +1 :               0.00001129702898
                3d
                   -2 :              -0.00002359160898
                   -1 :               0.00005007618673
                   +0 :               0.00000094141976
                   +1 :              -0.00001091138377
                   +2 :               0.00000513733049
             11 vec=    -4.976970    -14.851799     -1.580453   |vec|=   15.743062
                2s
                   +0 :               0.00010867503822
                2p
                   -1 :               0.00000010142968
                   +0 :              -0.00001667567565
                   +1 :              -0.00007229109978
                3s
                   +0 :              -0.00049781000833
                4s
                   +0 :               0.00012734731972
                3p
                   -1 :               0.00002921640978
                   +0 :               0.00002985373468
                   +1 :               0.00036959530905
                4p
                   -1 :               0.00000196453575
                   +0 :               0.00001388973557
                   +1 :              -0.00009911381466
                3d
                   -2 :              -0.00003195024156
                   -1 :               0.00000664419273
                   +0 :               0.00001492409837
                   +1 :              -0.00002228932310
                   +2 :              -0.00004254712611
             12 vec=    10.583355     12.099475     -1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00001895450122
                2p
                   -1 :              -0.00001765102677
                   +0 :               0.00002145992915
                   +1 :              -0.00001717085308
                3s
                   +0 :              -0.00004190704203
                4s
                   +0 :               0.00002627124864
                3p
                   -1 :               0.00005963569158
                   +0 :              -0.00022782064710
                   +1 :               0.00006578344424
                4p
                   -1 :              -0.00003235535603
                   +0 :               0.00005854018517
                   +1 :               0.00001996908824
                3d
                   -2 :               0.00008897612915
                   -1 :              -0.00003218098941
                   +0 :              -0.00003355524739
                   +1 :              -0.00007941836000
                   +2 :              -0.00003777183935
             13 vec=   -12.757133    -10.359920     -1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00005473375775
                2p
                   -1 :               0.00001798679943
                   +0 :               0.00000271174839
                   +1 :               0.00005335216279
                3s
                   +0 :               0.00012987404278
                4s
                   +0 :              -0.00011348454824
                3p
                   -1 :              -0.00015005715181
                   +0 :               0.00005115168550
                   +1 :              -0.00026071033383
                4p
                   -1 :               0.00004940446461
                   +0 :              -0.00001125856083
                   +1 :               0.00009896179435
                3d
                   -2 :               0.00004918156263
                   -1 :               0.00000132307550
                   +0 :              -0.00001684804528
                   +1 :              -0.00002425413081
                   +2 :               0.00000478232166
             14 vec=     2.803193     16.591354     -1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00004791269596
                2p
                   -1 :              -0.00004332635200
                   +0 :               0.00002798582430
                   +1 :               0.00001454377258
                3s
                   +0 :               0.00020074961628
                4s
                   +0 :              -0.00001420140975
                3p
                   -1 :               0.00018678805958
                   +0 :              -0.00016128586033
                   +1 :               0.00001562422801
                4p
                   -1 :              -0.00001908465836
                   +0 :               0.00001454581392
                   +1 :               0.00002084571195
                3d
                   -2 :               0.00003398736349
                   -1 :              -0.00004366041564
                   +0 :              -0.00001418673370
                   +1 :              -0.00001412759745
                   +2 :              -0.00005272639283
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al( 10)  npairs=  14
              1 vec=     2.803193     -1.376162      5.671873   |vec|=    6.474709
                2s
                   +0 :              -0.00491373758081
                2p
                   -1 :               0.00060818008189
                   +0 :              -0.00265934227240
                   +1 :              -0.00194543565123
                3s
                   +0 :               0.01712557334351
                4s
                   +0 :              -0.00748569203094
                3p
                   -1 :              -0.00494516870804
                   +0 :               0.01336088984972
                   +1 :               0.00519783478152
                4p
                   -1 :               0.00154399922202
                   +0 :              -0.00551424209743
                   +1 :              -0.00326229754348
                3d
                   -2 :               0.00145157992981
                   -1 :              -0.00134279703281
                   +0 :               0.00228624500192
                   +1 :               0.00020906810424
                   +2 :              -0.00143949653299
              2 vec=    -4.976970      3.115717      5.671873   |vec|=    8.163827
                2s
                   +0 :               0.00152267125346
                2p
                   -1 :               0.00067812651499
                   +0 :               0.00045403090871
                   +1 :              -0.00085079807091
                3s
                   +0 :               0.00694082948116
                4s
                   +0 :               0.00148773178232
                3p
                   -1 :               0.00057281321284
                   +0 :              -0.00041016038548
                   +1 :              -0.00578032031734
                4p
                   -1 :               0.00145595692750
                   +0 :               0.00030952062779
                   +1 :              -0.00064462977649
                3d
                   -2 :              -0.00184633870326
                   -1 :               0.00006681138222
                   +0 :              -0.00189680735133
                   +1 :              -0.00011966363020
                   +2 :               0.00118167414452
              3 vec=    -4.976970     -5.868041      5.671873   |vec|=    9.558990
                2s
                   +0 :               0.00065418337959
                2p
                   -1 :              -0.00022410624852
                   +0 :               0.00012345682956
                   +1 :               0.00089548504937
                3s
                   +0 :              -0.00125509114301
                4s
                   +0 :               0.00040519492383
                3p
                   -1 :               0.00080045067448
                   +0 :              -0.00070042045890
                   +1 :              -0.00337076417255
                4p
                   -1 :              -0.00025855047641
                   +0 :               0.00028937804696
                   +1 :               0.00084356706417
                3d
                   -2 :               0.00090871518466
                   -1 :              -0.00040790367019
                   +0 :               0.00013909928031
                   +1 :              -0.00060716818565
                   +2 :              -0.00024346094327
              4 vec=     2.803193      7.607596      5.671873   |vec|=    9.894622
                2s
                   +0 :              -0.00061142134585
                2p
                   -1 :               0.00036803775148
                   +0 :              -0.00042284726756
                   +1 :              -0.00041817059567
                3s
                   +0 :              -0.00027559773000
                4s
                   +0 :              -0.00010373385834
                3p
                   -1 :              -0.00409095962974
                   +0 :               0.00409197700926
                   +1 :               0.00038419784024
                4p
                   -1 :               0.00131261496971
                   +0 :              -0.00016644489629
                   +1 :              -0.00033156691518
                3d
                   -2 :              -0.00108347206221
                   -1 :               0.00055154608317
                   +0 :               0.00111369835222
                   +1 :               0.00190953804017
                   +2 :               0.00013627764604
              5 vec=     2.803193    -10.359920      5.671873   |vec|=   12.139027
                2s
                   +0 :               0.00013513939529
                2p
                   -1 :              -0.00006452004945
                   +0 :               0.00012411022562
                   +1 :              -0.00005943810787
                3s
                   +0 :               0.00043274023854
                4s
                   +0 :               0.00017548221460
                3p
                   -1 :              -0.00016784765116
                   +0 :               0.00016555957446
                   +1 :              -0.00008873579477
                4p
                   -1 :              -0.00013217944343
                   +0 :               0.00012978350234
                   +1 :              -0.00005372187725
                3d
                   -2 :               0.00006770447214
                   -1 :              -0.00014720633400
                   +0 :               0.00016826723765
                   +1 :              -0.00009277145603
                   +2 :              -0.00015722084581
              6 vec=    10.583355      3.115717      5.671873   |vec|=   12.405049
                2s
                   +0 :               0.00036275781564
                2p
                   -1 :               0.00006269884052
                   +0 :               0.00010725477236
                   +1 :               0.00024582813662
                3s
                   +0 :              -0.00063454097036
                4s
                   +0 :               0.00016721618265
                3p
                   -1 :               0.00013680320716
                   +0 :               0.00011645956515
                   +1 :              -0.00117576334400
                4p
                   -1 :               0.00003458372984
                   +0 :              -0.00002061388000
                   +1 :               0.00015579919237
                3d
                   -2 :              -0.00014479829900
                   -1 :               0.00000544762432
                   +0 :               0.00014539134933
                   +1 :              -0.00022706705946
                   +2 :              -0.00029374515160
              7 vec=    10.583355     -5.868041      5.671873   |vec|=   13.364560
                2s
                   +0 :              -0.00010001252860
                2p
                   -1 :               0.00004211388919
                   +0 :               0.00000128942999
                   +1 :              -0.00002616957649
                3s
                   +0 :               0.00080499534615
                4s
                   +0 :              -0.00012149516687
                3p
                   -1 :              -0.00044083865862
                   +0 :              -0.00016194210476
                   +1 :               0.00027647120131
                4p
                   -1 :               0.00005064836211
                   +0 :               0.00009442272871
                   +1 :              -0.00002685447097
                3d
                   -2 :              -0.00014380695867
                   -1 :               0.00002184064311
                   +0 :               0.00000979978323
                   +1 :              -0.00000798622895
                   +2 :              -0.00002383880959
              8 vec=   -12.757133     -1.376162      5.671873   |vec|=   14.028842
                2s
                   +0 :               0.00026513976191
                2p
                   -1 :               0.00018090905182
                   +0 :               0.00006634672695
                   +1 :              -0.00016249595002
                3s
                   +0 :               0.00000581115586
                4s
                   +0 :               0.00003267350996
                3p
                   -1 :              -0.00074631618432
                   +0 :              -0.00035095637839
                   +1 :               0.00003180159274
                4p
                   -1 :               0.00023953696662
                   +0 :               0.00007956516760
                   +1 :               0.00008647435434
                3d
                   -2 :               0.00009535173044
                   -1 :              -0.00011728102695
                   +0 :              -0.00000864268308
                   +1 :               0.00019302682760
                   +2 :              -0.00001804867743
              9 vec=    -4.976970     12.099475      5.671873   |vec|=   14.259652
                2s
                   +0 :               0.00005524961589
                2p
                   -1 :              -0.00003089998674
                   +0 :               0.00000293697768
                   +1 :              -0.00005562666960
                3s
                   +0 :               0.00009625136696
                4s
                   +0 :               0.00010539696863
                3p
                   -1 :               0.00014402649178
                   +0 :               0.00020659606389
                   +1 :               0.00006607522660
                4p
                   -1 :               0.00005221114878
                   +0 :              -0.00002387841683
                   +1 :              -0.00004686705131
                3d
                   -2 :              -0.00011200658128
                   -1 :               0.00005937020770
                   +0 :               0.00006416438579
                   +1 :              -0.00013527972273
                   +2 :               0.00006854248680
             10 vec=   -12.757133      7.607596      5.671873   |vec|=   15.899374
                2s
                   +0 :               0.00004269671336
                2p
                   -1 :               0.00001832399466
                   +0 :              -0.00001243245693
                   +1 :              -0.00000144391981
                3s
                   +0 :              -0.00010392733801
                4s
                   +0 :               0.00002113745009
                3p
                   -1 :              -0.00000749946209
                   +0 :               0.00007279418427
                   +1 :               0.00003691901933
                4p
                   -1 :               0.00000706364900
                   +0 :              -0.00003069904057
                   +1 :               0.00000673174669
                3d
                   -2 :              -0.00000616856582
                   -1 :               0.00000966525215
                   +0 :              -0.00001638448823
                   +1 :              -0.00000373495152
                   +2 :              -0.00000966077526
             11 vec=    -4.976970    -14.851799      5.671873   |vec|=   16.658821
                2s
                   +0 :              -0.00006303603141
                2p
                   -1 :               0.00000590171076
                   +0 :              -0.00001619804795
                   +1 :              -0.00000135812103
                3s
                   +0 :               0.00026423082890
                4s
                   +0 :              -0.00003373269092
                3p
                   -1 :              -0.00010383174546
                   +0 :               0.00013317102248
                   +1 :               0.00005511512525
                4p
                   -1 :               0.00000178511805
                   +0 :              -0.00001447982495
                   +1 :              -0.00002637179705
                3d
                   -2 :              -0.00001271826156
                   -1 :              -0.00006216499888
                   +0 :               0.00001530864020
                   +1 :               0.00002889924849
                   +2 :              -0.00000424585822
             12 vec=    10.583355     12.099475      5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00005404794932
                2p
                   -1 :              -0.00000615441451
                   +0 :               0.00000617973136
                   +1 :              -0.00000283682062
                3s
                   +0 :               0.00033724938008
                4s
                   +0 :              -0.00001465352517
                3p
                   -1 :               0.00006506069991
                   +0 :               0.00004595355903
                   +1 :               0.00010154576457
                4p
                   -1 :               0.00000024131017
                   +0 :               0.00001075236401
                   +1 :               0.00001294251281
                3d
                   -2 :               0.00001996292952
                   -1 :              -0.00001007881447
                   +0 :              -0.00000312167959
                   +1 :               0.00000599611605
                   +2 :               0.00002025716270
             13 vec=   -12.757133    -10.359920      5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00002801566505
                2p
                   -1 :              -0.00002598517813
                   +0 :               0.00001607412641
                   +1 :               0.00001652605964
                3s
                   +0 :               0.00018079196881
                4s
                   +0 :              -0.00009131907840
                3p
                   -1 :               0.00011857038057
                   +0 :              -0.00005540666612
                   +1 :              -0.00015002481553
                4p
                   -1 :               0.00000117162276
                   +0 :              -0.00000314170275
                   +1 :               0.00006197655312
                3d
                   -2 :              -0.00002329128527
                   -1 :               0.00001215252240
                   +0 :               0.00000936416116
                   +1 :               0.00002551304588
                   +2 :               0.00004018630396
             14 vec=     2.803193     16.591354      5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00005516987461
                2p
                   -1 :               0.00002608404020
                   +0 :               0.00000822049545
                   +1 :              -0.00000604529529
                3s
                   +0 :              -0.00030373789414
                4s
                   +0 :               0.00011435535972
                3p
                   -1 :              -0.00022111832332
                   +0 :               0.00008499812328
                   +1 :               0.00009315522548
                4p
                   -1 :               0.00007093110087
                   +0 :               0.00000372389200
                   +1 :               0.00000003151122
                3d
                   -2 :               0.00000391973609
                   -1 :               0.00002309252865
                   +0 :              -0.00002599623971
                   +1 :              -0.00001363528945
                   +2 :               0.00000875875453
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al( 11)  npairs=  13
              1 vec=     2.803193     -1.376162     -6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00164781518361
                2p
                   -1 :              -0.00022743955795
                   +0 :              -0.00123523230358
                   +1 :               0.00121169547508
                3s
                   +0 :              -0.00758603307497
                4s
                   +0 :               0.00241249037502
                3p
                   -1 :              -0.00209618504120
                   +0 :              -0.00048534341859
                   +1 :              -0.00390455113573
                4p
                   -1 :               0.00000106888939
                   +0 :              -0.00173142122978
                   +1 :               0.00066230860914
                3d
                   -2 :              -0.00348505510797
                   -1 :               0.00176095851181
                   +0 :               0.00298227446959
                   +1 :              -0.00190188326811
                   +2 :               0.00079266803501
              2 vec=    -4.976970      3.115717     -6.601898   |vec|=    8.835326
                2s
                   +0 :               0.00077389163498
                2p
                   -1 :              -0.00050891334043
                   +0 :               0.00016571841077
                   +1 :               0.00016136238422
                3s
                   +0 :              -0.01452650041992
                4s
                   +0 :              -0.00010294711345
                3p
                   -1 :              -0.00230525356507
                   +0 :               0.00768011199228
                   +1 :               0.00876184489990
                4p
                   -1 :              -0.00101741641685
                   +0 :               0.00055838579718
                   +1 :               0.00020009911480
                3d
                   -2 :               0.00203025385292
                   -1 :               0.00168228812749
                   +0 :              -0.00076892196598
                   +1 :              -0.00374549994107
                   +2 :              -0.00178143447694
              3 vec=    -4.976970     -5.868041     -6.601898   |vec|=   10.138500
                2s
                   +0 :              -0.00062341187927
                2p
                   -1 :               0.00025036677197
                   +0 :               0.00044947598549
                   +1 :              -0.00080785629916
                3s
                   +0 :              -0.00094520688685
                4s
                   +0 :               0.00108508479086
                3p
                   -1 :               0.00026318559234
                   +0 :              -0.00155022444362
                   +1 :               0.00461774047091
                4p
                   -1 :              -0.00048863965939
                   +0 :              -0.00013078264318
                   +1 :              -0.00143946154592
                3d
                   -2 :              -0.00131838648607
                   -1 :               0.00020323661412
                   +0 :              -0.00047738296019
                   +1 :              -0.00032074987286
                   +2 :              -0.00019691932371
              4 vec=     2.803193      7.607596     -6.601898   |vec|=   10.455547
                2s
                   +0 :               0.00014052154368
                2p
                   -1 :               0.00011363985292
                   +0 :               0.00001738613123
                   +1 :               0.00002386308809
                3s
                   +0 :              -0.00068358251563
                4s
                   +0 :               0.00059802098987
                3p
                   -1 :              -0.00123669349840
                   +0 :              -0.00045535000121
                   +1 :              -0.00038937292326
                4p
                   -1 :               0.00060073630601
                   +0 :              -0.00002835374755
                   +1 :               0.00013794768777
                3d
                   -2 :              -0.00039133651899
                   -1 :               0.00002334313426
                   +0 :              -0.00037062248854
                   +1 :              -0.00015830964322
                   +2 :               0.00044414422550
              5 vec=     2.803193    -10.359920     -6.601898   |vec|=   12.600432
                2s
                   +0 :               0.00032795141090
                2p
                   -1 :              -0.00009380364128
                   +0 :              -0.00010633235485
                   +1 :              -0.00003093729353
                3s
                   +0 :              -0.00101186893405
                4s
                   +0 :               0.00004166538814
                3p
                   -1 :              -0.00001301653842
                   +0 :               0.00071170868893
                   +1 :               0.00054260773217
                4p
                   -1 :               0.00016378471898
                   +0 :              -0.00002746259290
                   +1 :              -0.00017403594316
                3d
                   -2 :              -0.00018456325728
                   -1 :              -0.00020803141868
                   +0 :              -0.00030980481817
                   +1 :              -0.00009040258772
                   +2 :              -0.00007480800537
              6 vec=    10.583355      3.115717     -6.601898   |vec|=   12.856911
                2s
                   +0 :              -0.00042180867418
                2p
                   -1 :              -0.00002892636711
                   +0 :               0.00011982836269
                   +1 :              -0.00016372778860
                3s
                   +0 :               0.00157063478257
                4s
                   +0 :              -0.00044125275717
                3p
                   -1 :               0.00003494173341
                   +0 :              -0.00049918913956
                   +1 :               0.00107563192922
                4p
                   -1 :              -0.00001314874969
                   +0 :               0.00014722781340
                   +1 :              -0.00015862407789
                3d
                   -2 :               0.00004422817277
                   -1 :              -0.00007874151215
                   +0 :              -0.00004039582417
                   +1 :              -0.00016256252710
                   +2 :               0.00013445339492
              7 vec=    10.583355     -5.868041     -6.601898   |vec|=   13.785005
                2s
                   +0 :              -0.00013665652596
                2p
                   -1 :              -0.00000005461045
                   +0 :               0.00008053118784
                   +1 :               0.00002130180460
                3s
                   +0 :               0.00016472068943
                4s
                   +0 :              -0.00015279203857
                3p
                   -1 :               0.00006172708680
                   +0 :              -0.00047839878555
                   +1 :              -0.00029893606373
                4p
                   -1 :               0.00004844661860
                   +0 :               0.00008869564647
                   +1 :               0.00005480216486
                3d
                   -2 :               0.00007657931253
                   -1 :               0.00003067289639
                   +0 :              -0.00002249196842
                   +1 :              -0.00006901384600
                   +2 :              -0.00005478747143
              8 vec=   -12.757133     -1.376162     -6.601898   |vec|=   14.429945
                2s
                   +0 :              -0.00010848159837
                2p
                   -1 :              -0.00002867680708
                   +0 :              -0.00002429906837
                   +1 :               0.00003508716279
                3s
                   +0 :               0.00027238804354
                4s
                   +0 :              -0.00013922865304
                3p
                   -1 :               0.00022571162589
                   +0 :               0.00003397033372
                   +1 :              -0.00005429705983
                4p
                   -1 :              -0.00003761896393
                   +0 :               0.00006430597378
                   +1 :              -0.00000770971185
                3d
                   -2 :              -0.00010208140912
                   -1 :              -0.00000250167957
                   +0 :               0.00008142859546
                   +1 :              -0.00000714459012
                   +2 :              -0.00003611481617
              9 vec=    -4.976970     12.099475     -6.601898   |vec|=   14.654439
                2s
                   +0 :               0.00006358933280
                2p
                   -1 :              -0.00000217892482
                   +0 :              -0.00003756446544
                   +1 :              -0.00006107226817
                3s
                   +0 :              -0.00015407091047
                4s
                   +0 :               0.00018402761570
                3p
                   -1 :               0.00002094810439
                   +0 :               0.00021804102463
                   +1 :               0.00021742236572
                4p
                   -1 :               0.00003973139752
                   +0 :              -0.00007999972531
                   +1 :              -0.00004338928237
                3d
                   -2 :               0.00005117750807
                   -1 :               0.00006933018078
                   +0 :               0.00001529211396
                   +1 :              -0.00003169121635
                   +2 :               0.00000845526363
             10 vec=   -12.757133      7.607596     -6.601898   |vec|=   16.254384
                2s
                   +0 :               0.00009949357797
                2p
                   -1 :               0.00002843542793
                   +0 :              -0.00005207913759
                   +1 :              -0.00002018064114
                3s
                   +0 :              -0.00035990457279
                4s
                   +0 :               0.00008985946068
                3p
                   -1 :              -0.00018012303773
                   +0 :               0.00028042168657
                   +1 :               0.00004230541944
                4p
                   -1 :               0.00004390479090
                   +0 :              -0.00006697681046
                   +1 :               0.00002484687099
                3d
                   -2 :               0.00002022475344
                   -1 :               0.00003088679684
                   +0 :              -0.00002143374734
                   +1 :              -0.00004661246890
                   +2 :               0.00000944769183
             11 vec=    -4.976970    -14.851799     -6.601898   |vec|=   16.997977
                2s
                   +0 :               0.00008713774675
                2p
                   -1 :              -0.00001674272158
                   +0 :               0.00000074301039
                   +1 :              -0.00001228083064
                3s
                   +0 :              -0.00038027810231
                4s
                   +0 :               0.00004210205844
                3p
                   -1 :               0.00009305695567
                   +0 :               0.00001438564475
                   +1 :               0.00009254069663
                4p
                   -1 :               0.00001768577718
                   +0 :               0.00000478279793
                   +1 :              -0.00002834033818
                3d
                   -2 :              -0.00005313484253
                   -1 :              -0.00000516299925
                   +0 :              -0.00000467149793
                   +1 :              -0.00000074136767
                   +2 :               0.00001115594186
             12 vec=    10.583355     12.099475     -6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00001740040885
                2p
                   -1 :              -0.00001372855267
                   +0 :              -0.00003109791994
                   +1 :               0.00000892476727
                3s
                   +0 :               0.00018891338289
                4s
                   +0 :              -0.00005686178058
                3p
                   -1 :               0.00009146610053
                   +0 :               0.00011388949452
                   +1 :               0.00000214794905
                4p
                   -1 :              -0.00002248696107
                   +0 :              -0.00001384179925
                   +1 :              -0.00000841072508
                3d
                   -2 :               0.00003508217744
                   -1 :               0.00002513260693
                   +0 :              -0.00002215865925
                   +1 :               0.00002214487918
                   +2 :              -0.00002633510544
             13 vec=   -12.757133    -10.359920     -6.601898   |vec|=   17.710376
                2s
                   +0 :               0.00000787498395
                2p
                   -1 :               0.00002113099147
                   +0 :               0.00003135235413
                   +1 :              -0.00002022896591
                3s
                   +0 :              -0.00013905034197
                4s
                   +0 :               0.00008384214233
                3p
                   -1 :              -0.00012034291543
                   +0 :              -0.00013804761595
                   +1 :               0.00016900423366
                4p
                   -1 :               0.00002231857501
                   +0 :               0.00001998458405
                   +1 :              -0.00007100539956
                3d
                   -2 :              -0.00000206829968
                   -1 :               0.00002591286270
                   +0 :              -0.00002012439033
                   +1 :               0.00004162781154
                   +2 :              -0.00002188607331
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site Al( 12)  npairs=  15
              1 vec=     2.803193     -1.376162     10.693319   |vec|=   11.139963
                2s
                   +0 :               0.00073279898159
                2p
                   -1 :              -0.00012810836259
                   +0 :               0.00037346776027
                   +1 :               0.00040943178251
                3s
                   +0 :              -0.00042893359986
                4s
                   +0 :               0.00027856278218
                3p
                   -1 :               0.00152532593663
                   +0 :              -0.00051196410712
                   +1 :              -0.00263815709279
                4p
                   -1 :              -0.00034690478001
                   +0 :               0.00017190477668
                   +1 :               0.00041583968347
                3d
                   -2 :               0.00018539427929
                   -1 :               0.00019118821757
                   +0 :               0.00011588276326
                   +1 :              -0.00031190140404
                   +2 :              -0.00008883481242
              2 vec=    -4.976970      3.115717     10.693319   |vec|=   12.199385
                2s
                   +0 :               0.00010301125811
                2p
                   -1 :               0.00001703262606
                   +0 :               0.00006971695679
                   +1 :              -0.00011013020098
                3s
                   +0 :              -0.00087272942875
                4s
                   +0 :              -0.00008818085163
                3p
                   -1 :               0.00046218208781
                   +0 :              -0.00106039946332
                   +1 :               0.00109214698511
                4p
                   -1 :              -0.00008700175093
                   +0 :              -0.00000316430311
                   +1 :              -0.00024992023870
                3d
                   -2 :               0.00039020370465
                   -1 :              -0.00006902373625
                   +0 :              -0.00047900703273
                   +1 :               0.00039742407029
                   +2 :              -0.00021748649316
              3 vec=    -4.976970     -5.868041     10.693319   |vec|=   13.173883
                2s
                   +0 :              -0.00041960151411
                2p
                   -1 :               0.00005905625118
                   +0 :              -0.00004473585955
                   +1 :              -0.00013890048870
                3s
                   +0 :               0.00323634635043
                4s
                   +0 :              -0.00051877707468
                3p
                   -1 :              -0.00120170019605
                   +0 :               0.00142836707865
                   +1 :              -0.00027979590610
                4p
                   -1 :               0.00019022621016
                   +0 :              -0.00013002844899
                   +1 :              -0.00012343970775
                3d
                   -2 :               0.00015681592259
                   -1 :              -0.00030209286201
                   +0 :               0.00021401387889
                   +1 :              -0.00016366285850
                   +2 :               0.00009690168755
              4 vec=     2.803193      7.607596     10.693319   |vec|=   13.419406
                2s
                   +0 :              -0.00011932408107
                2p
                   -1 :               0.00001025407952
                   +0 :              -0.00003547554136
                   +1 :               0.00005706378878
                3s
                   +0 :               0.00154189787640
                4s
                   +0 :              -0.00023867423877
                3p
                   -1 :               0.00111203595492
                   +0 :               0.00125519513577
                   +1 :              -0.00018454882780
                4p
                   -1 :              -0.00011254220980
                   +0 :              -0.00011299756978
                   +1 :              -0.00004170621699
                3d
                   -2 :               0.00018615626801
                   -1 :               0.00035048888052
                   +0 :               0.00043960956877
                   +1 :               0.00006218456734
                   +2 :              -0.00017489304344
              5 vec=     2.803193     -1.376162    -13.854224   |vec|=   14.201804
                2s
                   +0 :               0.00001515699295
                2p
                   -1 :               0.00011432623981
                   +0 :              -0.00003241145756
                   +1 :              -0.00004099835578
                3s
                   +0 :              -0.00026952041884
                4s
                   +0 :               0.00011334527267
                3p
                   -1 :              -0.00057287054607
                   +0 :               0.00013681628992
                   +1 :               0.00027890416356
                4p
                   -1 :               0.00010227397116
                   +0 :              -0.00004904573613
                   +1 :              -0.00005261962774
                3d
                   -2 :              -0.00004479378966
                   -1 :               0.00010041024094
                   +0 :               0.00000234223325
                   +1 :               0.00000865548878
                   +2 :              -0.00008199574454
              6 vec=    -4.976970      3.115717    -13.854224   |vec|=   15.047174
                2s
                   +0 :               0.00016644438054
                2p
                   -1 :               0.00006392424857
                   +0 :              -0.00002381158116
                   +1 :              -0.00010863317361
                3s
                   +0 :              -0.00049400232931
                4s
                   +0 :               0.00007647613856
                3p
                   -1 :              -0.00017369820745
                   +0 :               0.00004689260045
                   +1 :               0.00038840167150
                4p
                   -1 :              -0.00002174010177
                   +0 :              -0.00001501711068
                   +1 :              -0.00004605401506
                3d
                   -2 :               0.00010880277145
                   -1 :               0.00003849831419
                   +0 :               0.00007738378886
                   +1 :              -0.00000358002908
                   +2 :              -0.00006559184025
              7 vec=     2.803193    -10.359920     10.693319   |vec|=   15.150343
                2s
                   +0 :              -0.00004531057699
                2p
                   -1 :               0.00000240897411
                   +0 :               0.00001362820908
                   +1 :               0.00003791833652
                3s
                   +0 :               0.00021954216457
                4s
                   +0 :              -0.00000886493846
                3p
                   -1 :               0.00005399544712
                   +0 :              -0.00016316854188
                   +1 :              -0.00012729704656
                4p
                   -1 :              -0.00005048244861
                   +0 :               0.00004680374809
                   +1 :               0.00001485949958
                3d
                   -2 :               0.00000357724981
                   -1 :               0.00003068849654
                   +0 :               0.00004256745583
                   +1 :              -0.00000625917789
                   +2 :               0.00004756031260
              8 vec=    10.583355      3.115717     10.693319   |vec|=   15.364315
                2s
                   +0 :              -0.00011950297644
                2p
                   -1 :               0.00001258148408
                   +0 :               0.00000293370798
                   +1 :              -0.00001813514077
                3s
                   +0 :               0.00060863475169
                4s
                   +0 :              -0.00006817932277
                3p
                   -1 :              -0.00008769773223
                   +0 :              -0.00004285323521
                   +1 :               0.00017575759825
                4p
                   -1 :               0.00004460202639
                   +0 :               0.00003691958345
                   +1 :               0.00001264789260
                3d
                   -2 :              -0.00006619656933
                   -1 :               0.00002870174075
                   +0 :               0.00001981662365
                   +1 :              -0.00001231625796
                   +2 :              -0.00000029375944
              9 vec=    -4.976970     -5.868041    -13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00010029404337
                2p
                   -1 :               0.00000969331755
                   +0 :              -0.00002711010696
                   +1 :              -0.00003172257879
                3s
                   +0 :              -0.00061499798374
                4s
                   +0 :               0.00017168882617
                3p
                   -1 :               0.00015914433991
                   +0 :               0.00030747761086
                   +1 :               0.00016082432772
                4p
                   -1 :              -0.00001488929886
                   +0 :              -0.00012262314490
                   +1 :              -0.00003147864584
                3d
                   -2 :               0.00004508135436
                   -1 :              -0.00003556717530
                   +0 :              -0.00003539147679
                   +1 :              -0.00004295993320
                   +2 :               0.00005181912087
             10 vec=     2.803193      7.607596    -13.854224   |vec|=   16.052194
                2s
                   +0 :              -0.00004295678008
                2p
                   -1 :               0.00000726468661
                   +0 :               0.00001373998892
                   +1 :              -0.00004669156929
                3s
                   +0 :              -0.00017656943517
                4s
                   +0 :               0.00003968206816
                3p
                   -1 :              -0.00018015826859
                   +0 :               0.00006601936740
                   +1 :              -0.00005834371224
                4p
                   -1 :               0.00001799590735
                   +0 :              -0.00004471872899
                   +1 :              -0.00006195072260
                3d
                   -2 :              -0.00011388388930
                   -1 :               0.00002025564749
                   +0 :               0.00000549029192
                   +1 :              -0.00004381554145
                   +2 :              -0.00000467482863
             11 vec=    10.583355     -5.868041     10.693319   |vec|=   16.148943
                2s
                   +0 :               0.00015681898650
                2p
                   -1 :              -0.00002697194230
                   +0 :               0.00007270984442
                   +1 :               0.00006815290355
                3s
                   +0 :              -0.00038730827389
                4s
                   +0 :               0.00023679006232
                3p
                   -1 :               0.00011176232947
                   +0 :              -0.00031099563622
                   +1 :              -0.00027061563923
                4p
                   -1 :              -0.00004029924902
                   +0 :               0.00013425769869
                   +1 :               0.00007327133362
                3d
                   -2 :              -0.00000346408737
                   -1 :               0.00002055640068
                   +0 :              -0.00004077681361
                   +1 :              -0.00005090251736
                   +2 :              -0.00001739669856
             12 vec=   -12.757133     -1.376162     10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00000091845566
                2p
                   -1 :               0.00000863780910
                   +0 :               0.00002244884555
                   +1 :              -0.00001341335198
                3s
                   +0 :               0.00002391888001
                4s
                   +0 :               0.00001508940039
                3p
                   -1 :               0.00001347582666
                   +0 :              -0.00018514776057
                   +1 :               0.00018691214694
                4p
                   -1 :              -0.00001014324473
                   +0 :               0.00004269759588
                   +1 :              -0.00003458538647
                3d
                   -2 :               0.00005873469085
                   -1 :              -0.00000772379603
                   +0 :              -0.00006138637672
                   +1 :               0.00005602303400
                   +2 :              -0.00005169901749
             13 vec=    -4.976970     12.099475     10.693319   |vec|=   16.897177
                2s
                   +0 :              -0.00001495117546
                2p
                   -1 :               0.00002264218343
                   +0 :              -0.00002745338499
                   +1 :               0.00001265302460
                3s
                   +0 :              -0.00001263505638
                4s
                   +0 :              -0.00001493759849
                3p
                   -1 :              -0.00020306387333
                   +0 :               0.00024759697998
                   +1 :              -0.00005389893805
                4p
                   -1 :               0.00005158379723
                   +0 :              -0.00005981155501
                   +1 :               0.00000954323547
                3d
                   -2 :               0.00001548190770
                   -1 :               0.00001565801411
                   +0 :              -0.00000452486946
                   +1 :              -0.00000150353296
                   +2 :               0.00003420637860
             14 vec=     2.803193    -10.359920    -13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00001160363039
                2p
                   -1 :               0.00003316058286
                   +0 :               0.00002076278884
                   +1 :               0.00000667296325
                3s
                   +0 :              -0.00076407592892
                4s
                   +0 :               0.00001053254886
                3p
                   -1 :               0.00043303791257
                   +0 :               0.00007617183279
                   +1 :               0.00002875977942
                4p
                   -1 :               0.00003151560633
                   +0 :              -0.00000037591146
                   +1 :              -0.00001129571279
                3d
                   -2 :              -0.00001917767047
                   -1 :              -0.00004489453940
                   +0 :               0.00008612088100
                   +1 :              -0.00000627325268
                   +2 :               0.00016303372773
             15 vec=    10.583355      3.115717    -13.854224   |vec|=   17.710297
                2s
                   +0 :              -0.00002552492903
                2p
                   -1 :               0.00000709494873
                   +0 :              -0.00000263418355
                   +1 :              -0.00002560658795
                3s
                   +0 :              -0.00011287049701
                4s
                   +0 :              -0.00000196113782
                3p
                   -1 :              -0.00008426349464
                   +0 :               0.00006993496206
                   +1 :              -0.00005742973465
                4p
                   -1 :               0.00002107684012
                   +0 :              -0.00001680315996
                   +1 :              -0.00002018856196
                3d
                   -2 :               0.00001020175254
                   -1 :               0.00000569929315
                   +0 :               0.00001192154035
                   +1 :               0.00002923514448
                   +2 :              -0.00002467783519
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 13)  npairs=  14
              1 vec=     2.593647      1.739405      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00340852859612
                2s
                   +0 :               0.05239288292921
                3s
                   +0 :              -0.00572966120951
                2p
                   -1 :               0.01330376175045
                   +0 :               0.01818608159166
                   +1 :               0.01590675501925
                3p
                   -1 :              -0.00229246162738
                   +0 :              -0.00023288211543
                   +1 :              -0.00133956235952
                3d
                   -2 :               0.00046835181698
                   -1 :               0.00151892357323
                   +0 :               0.00041770458136
                   +1 :               0.00171550260801
                   +2 :              -0.00022473659149
              2 vec=    -5.186516     -2.752474      4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00246864572832
                2s
                   +0 :               0.01851737675128
                3s
                   +0 :              -0.00792493580236
                2p
                   -1 :              -0.00842423285650
                   +0 :               0.00655625176298
                   +1 :              -0.01539008573062
                3p
                   -1 :               0.00520680950372
                   +0 :              -0.00511894396266
                   +1 :               0.01003303768955
                3d
                   -2 :              -0.00042445906061
                   -1 :               0.00026750360852
                   +0 :               0.00032075349449
                   +1 :               0.00041972707409
                   +2 :              -0.00052518545670
              3 vec=     2.593647     -7.244353      4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00012382102662
                2s
                   +0 :               0.00145870609783
                3s
                   +0 :               0.00012699538732
                2p
                   -1 :              -0.00338267302837
                   +0 :              -0.00282639288723
                   +1 :               0.00331587808241
                3p
                   -1 :               0.00051883667245
                   +0 :               0.00108780815439
                   +1 :              -0.00118239660927
                3d
                   -2 :              -0.00019300662227
                   -1 :               0.00000264653926
                   +0 :              -0.00004554878820
                   +1 :               0.00000782052165
                   +2 :              -0.00011830829556
              4 vec=    -5.186516      6.231284      4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00011638524291
                2s
                   +0 :               0.00104403308110
                3s
                   +0 :              -0.00005116978604
                2p
                   -1 :               0.00163583650756
                   +0 :              -0.00117300074028
                   +1 :              -0.00099652602393
                3p
                   -1 :               0.00032609661860
                   +0 :               0.00042744386545
                   +1 :              -0.00037314490055
                3d
                   -2 :              -0.00020866834929
                   -1 :               0.00000266075663
                   +0 :              -0.00007571719039
                   +1 :              -0.00009395992453
                   +2 :               0.00002955751921
              5 vec=    10.373810     -2.752474      4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00003643489216
                2s
                   +0 :               0.00069562489401
                3s
                   +0 :               0.00003552426025
                2p
                   -1 :               0.00016063298430
                   +0 :               0.00018197151061
                   +1 :               0.00054197647890
                3p
                   -1 :              -0.00021016284912
                   +0 :              -0.00004841971687
                   +1 :              -0.00015548743405
                3d
                   -2 :               0.00001714442893
                   -1 :               0.00000929652629
                   +0 :               0.00003736888902
                   +1 :               0.00004193024588
                   +2 :              -0.00001373444482
              6 vec=     2.593647     10.723163      4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00022186227259
                2s
                   +0 :               0.00159290502828
                3s
                   +0 :              -0.00056901014366
                2p
                   -1 :               0.00186654628804
                   +0 :              -0.00044576671520
                   +1 :               0.00035080149572
                3p
                   -1 :              -0.00100199629702
                   +0 :               0.00080343899476
                   +1 :              -0.00010468791853
                3d
                   -2 :              -0.00002330259079
                   -1 :               0.00012019866186
                   +0 :              -0.00000641466694
                   +1 :               0.00002955858992
                   +2 :               0.00003609830047
              7 vec=    10.373810      6.231284      4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00001313683427
                2s
                   +0 :               0.00029796083379
                3s
                   +0 :               0.00004132775700
                2p
                   -1 :              -0.00017627916781
                   +0 :               0.00022777609073
                   +1 :              -0.00016215048591
                3p
                   -1 :               0.00021246253301
                   +0 :              -0.00015420224334
                   +1 :               0.00027226509324
                3d
                   -2 :              -0.00000248017310
                   -1 :               0.00002564385330
                   +0 :              -0.00000928773356
                   +1 :              -0.00002605493485
                   +2 :              -0.00000883826269
              8 vec=    -5.186516    -11.736232      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00001275496238
                2s
                   +0 :               0.00030980438862
                3s
                   +0 :               0.00005576243570
                2p
                   -1 :              -0.00009602751778
                   +0 :               0.00013394879552
                   +1 :              -0.00030130093030
                3p
                   -1 :              -0.00023119665784
                   +0 :              -0.00015545983895
                   +1 :               0.00009753385120
                3d
                   -2 :               0.00002358308939
                   -1 :               0.00001021585081
                   +0 :              -0.00003577654848
                   +1 :               0.00001180007520
                   +2 :              -0.00002625157659
              9 vec=   -12.966678      1.739405      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00003518007961
                2s
                   +0 :               0.00040081451572
                3s
                   +0 :              -0.00003957680929
                2p
                   -1 :               0.00026968600132
                   +0 :              -0.00027327045705
                   +1 :              -0.00037919118306
                3p
                   -1 :              -0.00015154535918
                   +0 :               0.00011787577135
                   +1 :               0.00007481512728
                3d
                   -2 :              -0.00000231358153
                   -1 :               0.00000033491290
                   +0 :              -0.00002275887880
                   +1 :              -0.00000379861618
                   +2 :              -0.00000638557925
             10 vec=   -12.966678     -7.244353      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00000007259002
                2s
                   +0 :               0.00000430550188
                3s
                   +0 :               0.00003023389858
                2p
                   -1 :              -0.00007344754879
                   +0 :              -0.00000420997510
                   +1 :               0.00000587138229
                3p
                   -1 :               0.00003421097939
                   +0 :              -0.00006513201506
                   +1 :              -0.00005838406918
                3d
                   -2 :               0.00000788960648
                   -1 :               0.00000161618681
                   +0 :              -0.00001368524007
                   +1 :               0.00000899257754
                   +2 :               0.00001601677200
             11 vec=    10.373810    -11.736232      4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00001164505487
                2s
                   +0 :               0.00011079342172
                3s
                   +0 :               0.00002790490787
                2p
                   -1 :               0.00002507851916
                   +0 :              -0.00005463592107
                   +1 :               0.00004175211325
                3p
                   -1 :              -0.00006979383850
                   +0 :               0.00006766491444
                   +1 :               0.00005476911790
                3d
                   -2 :              -0.00000531132666
                   -1 :              -0.00000800837374
                   +0 :               0.00000407441199
                   +1 :               0.00002019404415
                   +2 :               0.00000672173645
             12 vec=    -5.186516     15.215042      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00000795488761
                2s
                   +0 :              -0.00000369222056
                3s
                   +0 :               0.00005195943272
                2p
                   -1 :               0.00013000807068
                   +0 :               0.00003332460667
                   +1 :              -0.00003653393669
                3p
                   -1 :               0.00003136163014
                   +0 :               0.00001452361341
                   +1 :              -0.00001220736700
                3d
                   -2 :              -0.00000552340603
                   -1 :               0.00000415320268
                   +0 :              -0.00000909981620
                   +1 :               0.00000216253322
                   +2 :              -0.00000184333892
             13 vec=     2.593647    -16.228111      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000686294592
                2s
                   +0 :               0.00003069296311
                3s
                   +0 :              -0.00002479426096
                2p
                   -1 :              -0.00002032502429
                   +0 :              -0.00009877755646
                   +1 :               0.00002845325611
                3p
                   -1 :               0.00000744807481
                   +0 :               0.00006236098665
                   +1 :              -0.00004703545259
                3d
                   -2 :               0.00000222251432
                   -1 :              -0.00000274991578
                   +0 :               0.00000695662088
                   +1 :               0.00000265103924
                   +2 :              -0.00000031934912
             14 vec=   -12.966678     10.723163      4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000494563095
                2s
                   +0 :               0.00002164166430
                3s
                   +0 :              -0.00001400456131
                2p
                   -1 :              -0.00003034596331
                   +0 :              -0.00002998300255
                   +1 :              -0.00001340621892
                3p
                   -1 :               0.00002174202477
                   +0 :               0.00001163350790
                   +1 :              -0.00002050723613
                3d
                   -2 :               0.00000207699625
                   -1 :              -0.00000025039241
                   +0 :               0.00000094515305
                   +1 :              -0.00000209811268
                   +2 :               0.00000012955045
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 14)  npairs=  14
              1 vec=    -2.174037      1.739405      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00288318792475
                2s
                   +0 :               0.07415880754124
                3s
                   +0 :              -0.00506540570351
                2p
                   -1 :               0.02148765743964
                   +0 :               0.03562433411186
                   +1 :              -0.02524355310233
                3p
                   -1 :              -0.00189996449029
                   +0 :              -0.00583365056067
                   +1 :               0.00586641188239
                3d
                   -2 :              -0.00132211226767
                   -1 :               0.00065281627198
                   +0 :               0.00036837232657
                   +1 :              -0.00054899268287
                   +2 :              -0.00024475526440
              2 vec=     5.606126     -2.752474      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00051398508327
                2s
                   +0 :               0.00473615229178
                3s
                   +0 :              -0.00141796474122
                2p
                   -1 :              -0.00395470727957
                   +0 :               0.00063639933790
                   +1 :               0.00389012877476
                3p
                   -1 :               0.00183792249200
                   +0 :              -0.00001067689268
                   +1 :              -0.00110834626689
                3d
                   -2 :               0.00000568062776
                   -1 :               0.00008828370809
                   +0 :               0.00032914536842
                   +1 :              -0.00001856924185
                   +2 :              -0.00021610572287
              3 vec=    -2.174037     -7.244353      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00015793446114
                2s
                   +0 :               0.00083843744908
                3s
                   +0 :              -0.00055332091908
                2p
                   -1 :              -0.00270036417611
                   +0 :              -0.00262704768704
                   +1 :              -0.00223950201295
                3p
                   -1 :               0.00159508273808
                   +0 :               0.00016936071169
                   +1 :               0.00004484118515
                3d
                   -2 :               0.00023631263159
                   -1 :               0.00016741282407
                   +0 :              -0.00005265328755
                   +1 :               0.00005620663644
                   +2 :               0.00003236200429
              4 vec=     5.606126      6.231284      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00010923744364
                2s
                   +0 :               0.00127773039064
                3s
                   +0 :              -0.00000558938793
                2p
                   -1 :               0.00207107911728
                   +0 :               0.00094870935893
                   +1 :               0.00103604422511
                3p
                   -1 :              -0.00067025007517
                   +0 :              -0.00090009584431
                   +1 :              -0.00034160324980
                3d
                   -2 :               0.00000485451208
                   -1 :              -0.00010026662902
                   +0 :               0.00006606662796
                   +1 :               0.00000898695160
                   +2 :              -0.00001149516476
              5 vec=    -9.954199     -2.752474      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00006442031463
                2s
                   +0 :               0.00018908697405
                3s
                   +0 :               0.00032435002161
                2p
                   -1 :               0.00063687123594
                   +0 :               0.00152202192127
                   +1 :              -0.00090107883579
                3p
                   -1 :              -0.00046335464817
                   +0 :              -0.00089284672635
                   +1 :               0.00066200180377
                3d
                   -2 :              -0.00004863779938
                   -1 :              -0.00006277557441
                   +0 :               0.00025855934229
                   +1 :              -0.00003465238479
                   +2 :              -0.00009287637031
              6 vec=    -2.174037     10.723163      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00022027109812
                2s
                   +0 :               0.00169701507640
                3s
                   +0 :              -0.00057900156829
                2p
                   -1 :               0.00168383016002
                   +0 :               0.00081191636902
                   +1 :              -0.00010694841588
                3p
                   -1 :              -0.00094176263403
                   +0 :              -0.00044402517312
                   +1 :              -0.00017700374509
                3d
                   -2 :              -0.00005699805834
                   -1 :               0.00003737931042
                   +0 :              -0.00002996190256
                   +1 :               0.00003358770829
                   +2 :               0.00003614296214
              7 vec=    -9.954199      6.231284      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001776194073
                2s
                   +0 :               0.00032368010282
                3s
                   +0 :              -0.00005807499442
                2p
                   -1 :              -0.00035975496214
                   +0 :               0.00014674369129
                   +1 :              -0.00032620025307
                3p
                   -1 :               0.00013006919495
                   +0 :              -0.00001579734942
                   +1 :               0.00015204152444
                3d
                   -2 :               0.00000535326138
                   -1 :               0.00000090381744
                   +0 :               0.00000225684900
                   +1 :               0.00001359139043
                   +2 :               0.00001267399662
              8 vec=     5.606126    -11.736232      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00001232490939
                2s
                   +0 :               0.00038511652443
                3s
                   +0 :               0.00010219305246
                2p
                   -1 :              -0.00019989563643
                   +0 :               0.00004543672957
                   +1 :               0.00037359044226
                3p
                   -1 :              -0.00024270034392
                   +0 :              -0.00003287801708
                   +1 :              -0.00000879269374
                3d
                   -2 :              -0.00003273680370
                   -1 :              -0.00001834199331
                   +0 :              -0.00001713162817
                   +1 :               0.00001088802886
                   +2 :              -0.00002406085073
              9 vec=    13.386289      1.739405      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00006546617526
                2s
                   +0 :               0.00064301047734
                3s
                   +0 :              -0.00008734308946
                2p
                   -1 :              -0.00010277270878
                   +0 :              -0.00027855851432
                   +1 :               0.00024872800776
                3p
                   -1 :               0.00014387137689
                   +0 :               0.00020226877094
                   +1 :               0.00016680600647
                3d
                   -2 :               0.00000988852492
                   -1 :              -0.00001487351404
                   +0 :              -0.00002571145063
                   +1 :               0.00001861361243
                   +2 :               0.00002044866170
             10 vec=    13.386289     -7.244353      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000237169534
                2s
                   +0 :               0.00004111348683
                3s
                   +0 :               0.00001836379671
                2p
                   -1 :              -0.00004272368647
                   +0 :              -0.00009324911103
                   +1 :               0.00006625199685
                3p
                   -1 :               0.00001468475912
                   +0 :               0.00003885337749
                   +1 :               0.00002174941169
                3d
                   -2 :               0.00000152496886
                   -1 :              -0.00000085212868
                   +0 :              -0.00000191060655
                   +1 :               0.00000011917447
                   +2 :              -0.00000111282071
             11 vec=    -9.954199    -11.736232      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00001661401006
                2s
                   +0 :               0.00010415071466
                3s
                   +0 :               0.00001181745276
                2p
                   -1 :               0.00015630944908
                   +0 :               0.00004759728288
                   +1 :               0.00012510393247
                3p
                   -1 :              -0.00018125379252
                   +0 :              -0.00005724384850
                   +1 :              -0.00016970660741
                3d
                   -2 :               0.00001902047670
                   -1 :               0.00000175559426
                   +0 :              -0.00000278471980
                   +1 :              -0.00000848158097
                   +2 :               0.00000699349238
             12 vec=     5.606126     15.215042      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00000431090048
                2s
                   +0 :              -0.00000206212857
                3s
                   +0 :               0.00002925790407
                2p
                   -1 :               0.00014348020823
                   +0 :               0.00003394893082
                   +1 :              -0.00010456925367
                3p
                   -1 :              -0.00002269507964
                   +0 :               0.00001408197384
                   +1 :               0.00012292064287
                3d
                   -2 :               0.00001398044811
                   -1 :              -0.00000097356144
                   +0 :              -0.00001090813997
                   +1 :               0.00000018697826
                   +2 :               0.00000443484659
             13 vec=    -2.174037    -16.228111      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00001315576421
                2s
                   +0 :               0.00008365913487
                3s
                   +0 :              -0.00003688925776
                2p
                   -1 :              -0.00008998302037
                   +0 :              -0.00008628801146
                   +1 :              -0.00002509702924
                3p
                   -1 :               0.00004527318577
                   +0 :               0.00006167373163
                   +1 :               0.00001985865918
                3d
                   -2 :              -0.00000086794790
                   -1 :              -0.00000694612920
                   +0 :               0.00000405502618
                   +1 :              -0.00001055725149
                   +2 :              -0.00000898960344
             14 vec=    13.386289     10.723163      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00001147612733
                2s
                   +0 :               0.00012180676658
                3s
                   +0 :              -0.00002312475195
                2p
                   -1 :               0.00003302191245
                   +0 :              -0.00004909325076
                   +1 :               0.00007280311101
                3p
                   -1 :              -0.00000462859439
                   +0 :               0.00003485470299
                   +1 :              -0.00001559414935
                3d
                   -2 :              -0.00000637792867
                   -1 :               0.00000017732059
                   +0 :               0.00000027089436
                   +1 :               0.00000026451654
                   +2 :               0.00000004203287
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 15)  npairs=  14
              1 vec=     0.209805     -3.115418      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00226690308128
                2s
                   +0 :               0.06105045245013
                3s
                   +0 :              -0.00298405550546
                2p
                   -1 :              -0.02671461186647
                   +0 :               0.02306124836980
                   +1 :              -0.00082513034058
                3p
                   -1 :              -0.00054671898171
                   +0 :               0.00327752667772
                   +1 :               0.00390061480738
                3d
                   -2 :              -0.00013315790237
                   -1 :              -0.00328496332105
                   +0 :               0.00153203114435
                   +1 :              -0.00046659073008
                   +2 :              -0.00093403059789
              2 vec=     0.209805      5.868340      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00072590859913
                2s
                   +0 :              -0.00341533879339
                3s
                   +0 :               0.00191683253833
                2p
                   -1 :               0.00194560451630
                   +0 :              -0.00596478210249
                   +1 :              -0.00130608662081
                3p
                   -1 :               0.00360861994073
                   +0 :               0.00181203933332
                   +1 :               0.00185276231393
                3d
                   -2 :               0.00001256498493
                   -1 :               0.00023255833640
                   +0 :              -0.00178011679902
                   +1 :               0.00018148822068
                   +2 :              -0.00089750717159
              3 vec=    -7.570358      1.376461      4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00011032606941
                2s
                   +0 :              -0.00136930427939
                3s
                   +0 :               0.00052404751836
                2p
                   -1 :              -0.00188031284091
                   +0 :              -0.00208641373903
                   +1 :              -0.00002355921047
                3p
                   -1 :               0.00056262259309
                   +0 :              -0.00004225502798
                   +1 :              -0.00071978716173
                3d
                   -2 :              -0.00000159724200
                   -1 :               0.00006919241230
                   +0 :              -0.00015617109744
                   +1 :               0.00011622424263
                   +2 :               0.00020607501018
              4 vec=     7.989968      1.376461      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00002997178887
                2s
                   +0 :               0.00082382960007
                3s
                   +0 :               0.00020140021643
                2p
                   -1 :               0.00096950511155
                   +0 :              -0.00075557621461
                   +1 :               0.00224992610827
                3p
                   -1 :              -0.00130073324303
                   +0 :              -0.00013477189974
                   +1 :              -0.00078722967356
                3d
                   -2 :              -0.00005180393941
                   -1 :              -0.00005568063738
                   +0 :              -0.00005081514477
                   +1 :              -0.00010593661947
                   +2 :               0.00011439643711
              5 vec=    -7.570358     -7.607297      4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00026841235464
                2s
                   +0 :              -0.00149351072214
                3s
                   +0 :               0.00085363623656
                2p
                   -1 :               0.00028372466443
                   +0 :               0.00025890169793
                   +1 :               0.00016019887400
                3p
                   -1 :              -0.00055742216378
                   +0 :              -0.00050236900613
                   +1 :              -0.00016380092519
                3d
                   -2 :               0.00004490316411
                   -1 :               0.00003159604933
                   +0 :              -0.00006404665978
                   +1 :               0.00001009842060
                   +2 :              -0.00008012553487
              6 vec=     7.989968     -7.607297      4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00000762666650
                2s
                   +0 :               0.00021418624305
                3s
                   +0 :               0.00013006532059
                2p
                   -1 :              -0.00044385569986
                   +0 :              -0.00019038545696
                   +1 :               0.00022666840080
                3p
                   -1 :               0.00008137888314
                   +0 :              -0.00001299822802
                   +1 :               0.00001116552157
                3d
                   -2 :              -0.00000762684714
                   -1 :              -0.00001056798541
                   +0 :              -0.00002208872598
                   +1 :              -0.00000849785723
                   +2 :              -0.00001251468323
              7 vec=     0.209805    -12.099176      4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00001803205506
                2s
                   +0 :               0.00003763686104
                3s
                   +0 :               0.00010524246017
                2p
                   -1 :               0.00036435823017
                   +0 :              -0.00013009821986
                   +1 :              -0.00016301112539
                3p
                   -1 :              -0.00041054566146
                   +0 :               0.00014626218547
                   +1 :               0.00000830381413
                3d
                   -2 :              -0.00001147283233
                   -1 :              -0.00000309932031
                   +0 :              -0.00003705636333
                   +1 :              -0.00002628913821
                   +2 :               0.00000387529671
              8 vec=    -7.570358     10.360219      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00007059491671
                2s
                   +0 :               0.00080357662260
                3s
                   +0 :              -0.00008318356393
                2p
                   -1 :               0.00056879893546
                   +0 :              -0.00004476046134
                   +1 :              -0.00017942087705
                3p
                   -1 :              -0.00019586985367
                   +0 :               0.00020413556774
                   +1 :              -0.00003250380927
                3d
                   -2 :              -0.00002840272787
                   -1 :               0.00003362113896
                   +0 :               0.00000895931261
                   +1 :              -0.00002234948729
                   +2 :               0.00000018945695
              9 vec=     7.989968     10.360219      4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00000027247550
                2s
                   +0 :               0.00034258831330
                3s
                   +0 :               0.00014402202639
                2p
                   -1 :               0.00014338143572
                   +0 :               0.00001491512617
                   +1 :               0.00009344753298
                3p
                   -1 :               0.00009021202070
                   +0 :               0.00007749027698
                   +1 :               0.00008020894991
                3d
                   -2 :               0.00002435954242
                   -1 :              -0.00000141179035
                   +0 :               0.00001424893647
                   +1 :               0.00000913199714
                   +2 :              -0.00001521771019
             10 vec=     0.209805     14.852098      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00001392063370
                2s
                   +0 :               0.00004144364085
                3s
                   +0 :               0.00009085943921
                2p
                   -1 :               0.00020493123882
                   +0 :              -0.00005734912260
                   +1 :               0.00001498370679
                3p
                   -1 :              -0.00006760116197
                   +0 :               0.00010062306806
                   +1 :              -0.00003977826320
                3d
                   -2 :              -0.00000880807579
                   -1 :               0.00003801039776
                   +0 :               0.00001343794380
                   +1 :              -0.00000847492090
                   +2 :              -0.00000972207081
             11 vec=   -15.350520     -3.115418      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000006130571
                2s
                   +0 :               0.00006717568118
                3s
                   +0 :               0.00004445354919
                2p
                   -1 :              -0.00007038952382
                   +0 :              -0.00004420050099
                   +1 :               0.00017310870581
                3p
                   -1 :               0.00002097623768
                   +0 :              -0.00003725642333
                   +1 :              -0.00026765312638
                3d
                   -2 :              -0.00000280209004
                   -1 :               0.00000281032481
                   +0 :              -0.00001267028504
                   +1 :               0.00000340505613
                   +2 :               0.00002617188183
             12 vec=    15.770130     -3.115418      4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00002140546212
                2s
                   +0 :               0.00017322183077
                3s
                   +0 :              -0.00003516780300
                2p
                   -1 :              -0.00008064075925
                   +0 :              -0.00003531478587
                   +1 :               0.00005404427727
                3p
                   -1 :               0.00002850644937
                   +0 :              -0.00001207994616
                   +1 :               0.00002823752910
                3d
                   -2 :               0.00000094001285
                   -1 :               0.00000343202179
                   +0 :              -0.00000548548915
                   +1 :              -0.00000230820332
                   +2 :               0.00000800539187
             13 vec=   -15.350520      5.868340      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00000522731081
                2s
                   +0 :               0.00006614752005
                3s
                   +0 :              -0.00000961098349
                2p
                   -1 :               0.00002314141619
                   +0 :               0.00002542488879
                   +1 :              -0.00000948331591
                3p
                   -1 :               0.00000793270868
                   +0 :              -0.00002187523433
                   +1 :              -0.00002580102089
                3d
                   -2 :               0.00000138581453
                   -1 :              -0.00000158103903
                   +0 :              -0.00000252583595
                   +1 :               0.00000209292970
                   +2 :               0.00000224105422
             14 vec=    15.770130      5.868340      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00002569778697
                2s
                   +0 :               0.00024741163417
                3s
                   +0 :              -0.00005054898006
                2p
                   -1 :               0.00009407951111
                   +0 :              -0.00000629689612
                   +1 :               0.00008578156307
                3p
                   -1 :              -0.00005161133114
                   +0 :               0.00001218864325
                   +1 :              -0.00002275122701
                3d
                   -2 :               0.00000445278699
                   -1 :              -0.00000048504007
                   +0 :               0.00000359606772
                   +1 :              -0.00000070741150
                   +2 :               0.00000426430604
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 16)  npairs=  15
              1 vec=    -2.174037     -4.491729     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00045378717397
                2s
                   +0 :              -0.00393335249043
                3s
                   +0 :               0.00047411930852
                2p
                   -1 :               0.00080632271401
                   +0 :               0.00420204406256
                   +1 :               0.00179603877207
                3p
                   -1 :               0.00003996649207
                   +0 :              -0.00057176555230
                   +1 :               0.00129340351146
                3d
                   -2 :              -0.00017933996091
                   -1 :              -0.00006770260434
                   +0 :              -0.00015696952540
                   +1 :              -0.00041275393236
                   +2 :              -0.00013328721960
              2 vec=    -2.174037      4.492029     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00029622779257
                2s
                   +0 :              -0.00346614546184
                3s
                   +0 :               0.00016602372150
                2p
                   -1 :              -0.00281811077155
                   +0 :               0.00337583862080
                   +1 :              -0.00305981879278
                3p
                   -1 :               0.00004347802334
                   +0 :              -0.00021035661693
                   +1 :               0.00138122138655
                3d
                   -2 :              -0.00012315250994
                   -1 :               0.00011967567282
                   +0 :              -0.00006764288879
                   +1 :              -0.00005143811150
                   +2 :               0.00004345726888
              3 vec=     5.606126      0.000150     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00024003095226
                2s
                   +0 :              -0.00238663956469
                3s
                   +0 :              -0.00004625937396
                2p
                   -1 :               0.00179783478527
                   +0 :               0.00090779381274
                   +1 :              -0.00160508254676
                3p
                   -1 :              -0.00055761552082
                   +0 :               0.00120239428082
                   +1 :              -0.00025203400640
                3d
                   -2 :               0.00006764275240
                   -1 :              -0.00019064713157
                   +0 :              -0.00010746274977
                   +1 :               0.00006975877168
                   +2 :               0.00002075223789
              4 vec=    -9.954199      0.000150     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00012502707118
                2s
                   +0 :              -0.00109742384227
                3s
                   +0 :               0.00046909752429
                2p
                   -1 :               0.00000579002447
                   +0 :              -0.00013615496814
                   +1 :               0.00063366268165
                3p
                   -1 :              -0.00029320910416
                   +0 :              -0.00004588509047
                   +1 :              -0.00046932128663
                3d
                   -2 :               0.00004313815871
                   -1 :               0.00003464020320
                   +0 :              -0.00000768455032
                   +1 :               0.00006842967985
                   +2 :               0.00003531174216
              5 vec=     5.606126     -8.983608     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00008444242492
                2s
                   +0 :              -0.00099117558547
                3s
                   +0 :               0.00013351115246
                2p
                   -1 :               0.00040000975531
                   +0 :               0.00003986147063
                   +1 :              -0.00011541180478
                3p
                   -1 :               0.00006916284395
                   +0 :              -0.00008461691583
                   +1 :              -0.00005240710650
                3d
                   -2 :               0.00001634998254
                   -1 :              -0.00000197853724
                   +0 :               0.00001283387210
                   +1 :              -0.00002797511327
                   +2 :               0.00001749485455
              6 vec=     5.606126      8.983908     -8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00004661877162
                2s
                   +0 :               0.00032688873305
                3s
                   +0 :              -0.00011129598073
                2p
                   -1 :               0.00016921026391
                   +0 :              -0.00030703872709
                   +1 :              -0.00015709654825
                3p
                   -1 :              -0.00011840105795
                   +0 :               0.00022517222326
                   +1 :               0.00006983824758
                3d
                   -2 :               0.00001088193951
                   -1 :              -0.00001015338894
                   +0 :              -0.00004554541153
                   +1 :               0.00000465906350
                   +2 :              -0.00000272442549
              7 vec=    -9.954199     -8.983608     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00002667095430
                2s
                   +0 :               0.00010936170927
                3s
                   +0 :              -0.00014599186624
                2p
                   -1 :              -0.00005358355940
                   +0 :              -0.00011571937806
                   +1 :              -0.00022825013369
                3p
                   -1 :               0.00012088265621
                   +0 :               0.00013935747040
                   +1 :               0.00022128261857
                3d
                   -2 :              -0.00000093688693
                   -1 :              -0.00001321037276
                   +0 :              -0.00000441364276
                   +1 :              -0.00001071168902
                   +2 :               0.00001211142548
              8 vec=    -9.954199      8.983908     -8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00000001715229
                2s
                   +0 :              -0.00001299264288
                3s
                   +0 :               0.00001562181916
                2p
                   -1 :              -0.00020507060990
                   +0 :               0.00008794901108
                   +1 :               0.00009989021408
                3p
                   -1 :               0.00008620859842
                   +0 :              -0.00007400683959
                   +1 :              -0.00006947777421
                3d
                   -2 :              -0.00000015351019
                   -1 :               0.00000069704357
                   +0 :               0.00001032888778
                   +1 :               0.00000112587403
                   +2 :               0.00000229926039
              9 vec=    -2.174037    -13.475487     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00001945135506
                2s
                   +0 :              -0.00020940763668
                3s
                   +0 :               0.00002519370677
                2p
                   -1 :               0.00009932645693
                   +0 :               0.00003366376073
                   +1 :              -0.00014623444607
                3p
                   -1 :              -0.00005772150610
                   +0 :              -0.00000258757685
                   +1 :               0.00014861262049
                3d
                   -2 :              -0.00000602125130
                   -1 :              -0.00000390528732
                   +0 :              -0.00000134895942
                   +1 :              -0.00000245922365
                   +2 :              -0.00000219865786
             10 vec=    -2.174037     13.475787     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00001972872922
                2s
                   +0 :               0.00017226877658
                3s
                   +0 :              -0.00006126662696
                2p
                   -1 :              -0.00004331276165
                   +0 :               0.00014072020292
                   +1 :              -0.00005057355738
                3p
                   -1 :               0.00001309861187
                   +0 :              -0.00014049508304
                   +1 :               0.00008391556857
                3d
                   -2 :               0.00001030066733
                   -1 :              -0.00001498346503
                   +0 :               0.00000190193693
                   +1 :               0.00000504459531
                   +2 :              -0.00000057917492
             11 vec=    13.386289     -4.491729     -8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00000291761385
                2s
                   +0 :              -0.00001136090947
                3s
                   +0 :              -0.00002724749218
                2p
                   -1 :               0.00003821050563
                   +0 :              -0.00013027811201
                   +1 :              -0.00006513968200
                3p
                   -1 :              -0.00003650540231
                   +0 :               0.00011858535441
                   +1 :              -0.00002775687048
                3d
                   -2 :              -0.00000320558922
                   -1 :               0.00000198570758
                   +0 :              -0.00000609498638
                   +1 :               0.00000701594940
                   +2 :              -0.00000398322612
             12 vec=    13.386289      4.492029     -8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000936743290
                2s
                   +0 :               0.00010114533339
                3s
                   +0 :              -0.00003372708245
                2p
                   -1 :              -0.00003124685600
                   +0 :              -0.00007326582556
                   +1 :              -0.00004553191173
                3p
                   -1 :               0.00000761604363
                   +0 :               0.00006043506702
                   +1 :               0.00002734182366
                3d
                   -2 :               0.00000356216604
                   -1 :               0.00000422538020
                   +0 :               0.00000135560128
                   +1 :               0.00000099776137
                   +2 :              -0.00000320644703
             13 vec=    -2.174037     -4.491729     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00004648838242
                2s
                   +0 :               0.00035939240085
                3s
                   +0 :              -0.00010572064430
                2p
                   -1 :              -0.00017798145068
                   +0 :               0.00026146782772
                   +1 :              -0.00007746199541
                3p
                   -1 :               0.00010976486627
                   +0 :              -0.00013509988947
                   +1 :               0.00009372342665
                3d
                   -2 :              -0.00000219674016
                   -1 :               0.00000112386726
                   +0 :              -0.00000063570624
                   +1 :               0.00000867555779
                   +2 :              -0.00000358136195
             14 vec=    -2.174037      4.492029     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00001545838382
                2s
                   +0 :               0.00010599981265
                3s
                   +0 :              -0.00004121174256
                2p
                   -1 :              -0.00001561436511
                   +0 :               0.00019088778659
                   +1 :              -0.00004915822268
                3p
                   -1 :               0.00001076540155
                   +0 :              -0.00011452291575
                   +1 :               0.00004687124292
                3d
                   -2 :               0.00000148623993
                   -1 :              -0.00000500738396
                   +0 :              -0.00000510947398
                   +1 :               0.00000659884366
                   +2 :               0.00000301730867
             15 vec=     5.606126      0.000150     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001255368108
                2s
                   +0 :               0.00014883017739
                3s
                   +0 :              -0.00000296921601
                2p
                   -1 :               0.00002598968454
                   +0 :               0.00021007670375
                   +1 :              -0.00005418532605
                3p
                   -1 :               0.00007055235939
                   +0 :              -0.00004375468729
                   +1 :               0.00001330852293
                3d
                   -2 :               0.00000115689818
                   -1 :               0.00000961280528
                   +0 :               0.00000156270146
                   +1 :               0.00000038894372
                   +2 :              -0.00000821703413
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 17)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00028868400733
                2s
                   +0 :              -0.00291084099735
                3s
                   +0 :               0.00044082997109
                2p
                   -1 :               0.00155584713577
                   +0 :               0.00190510051514
                   +1 :               0.00122767546042
                3p
                   -1 :               0.00047802508204
                   +0 :              -0.00027936412444
                   +1 :               0.00018869854147
                3d
                   -2 :              -0.00011886543845
                   -1 :              -0.00017081547175
                   +0 :               0.00001253018974
                   +1 :              -0.00011099591862
                   +2 :               0.00002849581708
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00081506607180
                2s
                   +0 :              -0.00824780051772
                3s
                   +0 :               0.00126304167121
                2p
                   -1 :               0.00197160274029
                   +0 :               0.00886203373547
                   +1 :              -0.00516190303180
                3p
                   -1 :              -0.00013465707517
                   +0 :              -0.00168705606641
                   +1 :               0.00118629097230
                3d
                   -2 :               0.00017047627381
                   -1 :              -0.00019629177206
                   +0 :              -0.00024202793415
                   +1 :               0.00031174110604
                   +2 :              -0.00015401686075
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00018194530485
                2s
                   +0 :              -0.00145470609288
                3s
                   +0 :              -0.00002057731098
                2p
                   -1 :              -0.00107905693377
                   +0 :               0.00044964942550
                   +1 :               0.00168652913149
                3p
                   -1 :              -0.00069107458676
                   +0 :               0.00100508307685
                   +1 :              -0.00094163549687
                3d
                   -2 :               0.00004513988579
                   -1 :               0.00022904861650
                   +0 :              -0.00005881574678
                   +1 :              -0.00003202557998
                   +2 :               0.00004263217884
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00003502651380
                2s
                   +0 :              -0.00047093022376
                3s
                   +0 :               0.00006780305737
                2p
                   -1 :               0.00027731071876
                   +0 :              -0.00032799243986
                   +1 :               0.00061754536601
                3p
                   -1 :              -0.00000312324047
                   +0 :               0.00013915004311
                   +1 :              -0.00059936416831
                3d
                   -2 :               0.00003638147148
                   -1 :               0.00001376248999
                   +0 :              -0.00003190812415
                   +1 :               0.00003490489616
                   +2 :              -0.00000527594606
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001065506171
                2s
                   +0 :              -0.00025395494311
                3s
                   +0 :              -0.00002053363741
                2p
                   -1 :              -0.00012043827969
                   +0 :              -0.00014284346775
                   +1 :               0.00026136636494
                3p
                   -1 :               0.00002925216706
                   +0 :               0.00026003258709
                   +1 :              -0.00009351032361
                3d
                   -2 :               0.00000317391712
                   -1 :               0.00001817636941
                   +0 :              -0.00003695904048
                   +1 :               0.00000948375940
                   +2 :              -0.00000056497215
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001524426450
                2s
                   +0 :              -0.00037156249780
                3s
                   +0 :               0.00005929431579
                2p
                   -1 :              -0.00041501041581
                   +0 :              -0.00041983180349
                   +1 :              -0.00024891767149
                3p
                   -1 :               0.00017429267400
                   +0 :               0.00017626370666
                   +1 :               0.00000453701717
                3d
                   -2 :              -0.00000666217259
                   -1 :              -0.00001477355079
                   +0 :               0.00003673988865
                   +1 :              -0.00000794969090
                   +2 :              -0.00002597402695
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00002240632206
                2s
                   +0 :               0.00008132136573
                3s
                   +0 :              -0.00011022328053
                2p
                   -1 :              -0.00013100582405
                   +0 :              -0.00003789501475
                   +1 :              -0.00015411098034
                3p
                   -1 :               0.00009473490968
                   +0 :               0.00005548590642
                   +1 :               0.00023397962433
                3d
                   -2 :              -0.00000089233053
                   -1 :               0.00000386526108
                   +0 :               0.00002274717582
                   +1 :              -0.00001542809982
                   +2 :              -0.00001992806083
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001445544186
                2s
                   +0 :               0.00005286036038
                3s
                   +0 :              -0.00003731237796
                2p
                   -1 :               0.00002893639674
                   +0 :               0.00012806787647
                   +1 :              -0.00004405288195
                3p
                   -1 :              -0.00004681205618
                   +0 :              -0.00007927800851
                   +1 :               0.00005918386584
                3d
                   -2 :              -0.00000213391808
                   -1 :               0.00000359630789
                   +0 :              -0.00000193683034
                   +1 :               0.00000852210531
                   +2 :               0.00000303487090
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002033668873
                2s
                   +0 :              -0.00020889858855
                3s
                   +0 :               0.00002721024827
                2p
                   -1 :               0.00014129517493
                   +0 :              -0.00000208990630
                   +1 :               0.00007141594043
                3p
                   -1 :              -0.00005836479778
                   +0 :               0.00001750573355
                   +1 :              -0.00006793404433
                3d
                   -2 :               0.00000248617573
                   -1 :               0.00000628827167
                   +0 :               0.00000378630886
                   +1 :               0.00000150702751
                   +2 :              -0.00000101009956
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000029576047
                2s
                   +0 :              -0.00002869298154
                3s
                   +0 :              -0.00003694813037
                2p
                   -1 :               0.00004736674538
                   +0 :              -0.00008630843622
                   +1 :              -0.00013162316404
                3p
                   -1 :              -0.00000258114974
                   +0 :               0.00006006072779
                   +1 :               0.00006290400568
                3d
                   -2 :               0.00000264587279
                   -1 :              -0.00000315357686
                   +0 :              -0.00001056170212
                   +1 :              -0.00000277293976
                   +2 :              -0.00000066657705
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000141174755
                2s
                   +0 :               0.00004120575697
                3s
                   +0 :               0.00003587922329
                2p
                   -1 :              -0.00008091433906
                   +0 :               0.00015375623885
                   +1 :               0.00003012135274
                3p
                   -1 :               0.00005146580928
                   +0 :              -0.00016333592454
                   +1 :              -0.00009618655366
                3d
                   -2 :              -0.00001670670175
                   -1 :              -0.00002868476868
                   +0 :               0.00001117265741
                   +1 :              -0.00000962948609
                   +2 :              -0.00001847004778
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000881535456
                2s
                   +0 :               0.00010950514402
                3s
                   +0 :               0.00000485519541
                2p
                   -1 :              -0.00022217661021
                   +0 :              -0.00003488316419
                   +1 :              -0.00000429657558
                3p
                   -1 :               0.00015650360932
                   +0 :              -0.00000071956232
                   +1 :               0.00002033109007
                3d
                   -2 :               0.00000225662928
                   -1 :              -0.00000355314582
                   +0 :               0.00000249846216
                   +1 :               0.00000019764912
                   +2 :              -0.00000693937582
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000298899550
                2s
                   +0 :               0.00011136993827
                3s
                   +0 :               0.00003935264505
                2p
                   -1 :               0.00009913002398
                   +0 :               0.00012066465121
                   +1 :               0.00011788848549
                3p
                   -1 :              -0.00003902881147
                   +0 :               0.00005172286193
                   +1 :              -0.00008913935280
                3d
                   -2 :              -0.00000166517368
                   -1 :               0.00000343169002
                   +0 :               0.00000268947297
                   +1 :              -0.00000291945492
                   +2 :               0.00000256396281
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00005053003942
                2s
                   +0 :               0.00039566563955
                3s
                   +0 :              -0.00012824816708
                2p
                   -1 :               0.00011063676695
                   +0 :               0.00020700035003
                   +1 :              -0.00006893203502
                3p
                   -1 :              -0.00010378546622
                   +0 :              -0.00009225161430
                   +1 :               0.00000337295964
                3d
                   -2 :               0.00000087890730
                   -1 :              -0.00000605975952
                   +0 :              -0.00001015890179
                   +1 :              -0.00000761853251
                   +2 :              -0.00000505417911
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000760712810
                2s
                   +0 :               0.00005446590926
                3s
                   +0 :              -0.00000740166302
                2p
                   -1 :              -0.00000969715199
                   +0 :               0.00004546101111
                   +1 :               0.00011892521790
                3p
                   -1 :               0.00001308357071
                   +0 :               0.00005365877484
                   +1 :              -0.00004975658819
                3d
                   -2 :              -0.00000228336677
                   -1 :               0.00000088685077
                   +0 :               0.00000799003763
                   +1 :              -0.00000104498313
                   +2 :              -0.00000566921257
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 18)  npairs=  14
              1 vec=     0.209805      0.363094     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00054346018450
                2s
                   +0 :              -0.00200400467484
                3s
                   +0 :               0.00179575256613
                2p
                   -1 :              -0.00193606542008
                   +0 :               0.00440146776784
                   +1 :               0.00165100356872
                3p
                   -1 :               0.00082485453435
                   +0 :              -0.00387876945696
                   +1 :              -0.00084907632079
                3d
                   -2 :              -0.00002087169522
                   -1 :               0.00011638459822
                   +0 :               0.00074801504704
                   +1 :              -0.00009809299052
                   +2 :               0.00009086326930
              2 vec=    -7.570358     -4.128785     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00022513535428
                2s
                   +0 :               0.00082775985796
                3s
                   +0 :              -0.00082937646922
                2p
                   -1 :               0.00118875932702
                   +0 :              -0.00133010169824
                   +1 :               0.00106161648031
                3p
                   -1 :              -0.00084691325166
                   +0 :               0.00102385005528
                   +1 :              -0.00042038975857
                3d
                   -2 :               0.00004172239774
                   -1 :              -0.00000246900679
                   +0 :              -0.00005347461813
                   +1 :               0.00004650113440
                   +2 :               0.00001868430739
              3 vec=     0.209805     -8.620664     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00002626653428
                2s
                   +0 :              -0.00021642157640
                3s
                   +0 :              -0.00012004362874
                2p
                   -1 :               0.00071664739241
                   +0 :               0.00068147162632
                   +1 :               0.00029078136270
                3p
                   -1 :              -0.00031730406646
                   +0 :              -0.00044240685509
                   +1 :              -0.00024219423627
                3d
                   -2 :               0.00004425772371
                   -1 :               0.00000634489991
                   +0 :               0.00004248617599
                   +1 :               0.00005187283993
                   +2 :              -0.00002545536946
              4 vec=    -7.570358      4.854973     -8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00004953426119
                2s
                   +0 :              -0.00028918215877
                3s
                   +0 :               0.00024939966376
                2p
                   -1 :              -0.00065108829452
                   +0 :              -0.00006971311369
                   +1 :               0.00058796779016
                3p
                   -1 :               0.00042515102057
                   +0 :              -0.00007003479570
                   +1 :              -0.00023748478471
                3d
                   -2 :              -0.00001544774611
                   -1 :              -0.00000873607525
                   +0 :              -0.00000656723760
                   +1 :               0.00001662133725
                   +2 :               0.00002717066851
              5 vec=     7.989968     -4.128785     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00000844378327
                2s
                   +0 :              -0.00068264551857
                3s
                   +0 :              -0.00007673037153
                2p
                   -1 :              -0.00008640279903
                   +0 :              -0.00049089812789
                   +1 :              -0.00039189960379
                3p
                   -1 :               0.00017379384752
                   +0 :               0.00009987161775
                   +1 :              -0.00013849567821
                3d
                   -2 :               0.00001547656912
                   -1 :              -0.00001481219350
                   +0 :               0.00003882260569
                   +1 :              -0.00000021332732
                   +2 :              -0.00001393348906
              6 vec=     0.209805      9.346852     -8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00003534021063
                2s
                   +0 :              -0.00010708681361
                3s
                   +0 :              -0.00005924278278
                2p
                   -1 :              -0.00076798833003
                   +0 :               0.00041185451550
                   +1 :              -0.00011049557094
                3p
                   -1 :               0.00033892652030
                   +0 :              -0.00060460762586
                   +1 :              -0.00002577695477
                3d
                   -2 :              -0.00002384153469
                   -1 :              -0.00000862892115
                   +0 :               0.00002281662012
                   +1 :               0.00000143244996
                   +2 :               0.00001380228547
              7 vec=     7.989968      4.854973     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00000681737171
                2s
                   +0 :               0.00012430313636
                3s
                   +0 :               0.00005322290881
                2p
                   -1 :              -0.00021648256795
                   +0 :              -0.00051250516009
                   +1 :              -0.00071417655439
                3p
                   -1 :              -0.00000549310177
                   +0 :               0.00038430286846
                   +1 :               0.00047333509730
                3d
                   -2 :               0.00002420833770
                   -1 :               0.00000268842559
                   +0 :              -0.00005057558346
                   +1 :              -0.00000288165978
                   +2 :               0.00001992280447
              8 vec=     0.209805      0.363094     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001760019785
                2s
                   +0 :              -0.00016751913702
                3s
                   +0 :               0.00005586544104
                2p
                   -1 :               0.00009991530772
                   +0 :              -0.00005433838178
                   +1 :              -0.00006212602461
                3p
                   -1 :              -0.00007104114962
                   +0 :               0.00003669723976
                   +1 :               0.00009797507931
                3d
                   -2 :              -0.00000177893272
                   -1 :              -0.00000211880096
                   +0 :               0.00000869286643
                   +1 :               0.00000754138705
                   +2 :               0.00000566956160
              9 vec=    -7.570358    -13.112543     -8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00000510618080
                2s
                   +0 :              -0.00010820292295
                3s
                   +0 :              -0.00003980054604
                2p
                   -1 :               0.00007138157072
                   +0 :               0.00010920501925
                   +1 :               0.00012447347105
                3p
                   -1 :               0.00000168758207
                   +0 :              -0.00006632245998
                   +1 :              -0.00006239154040
                3d
                   -2 :              -0.00000292175392
                   -1 :               0.00000103773879
                   +0 :               0.00000816374795
                   +1 :               0.00000875716732
                   +2 :               0.00000445659634
             10 vec=   -15.350520      0.363094     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00001114684515
                2s
                   +0 :              -0.00011541300551
                3s
                   +0 :               0.00001812083561
                2p
                   -1 :               0.00008079077456
                   +0 :               0.00004001408009
                   +1 :               0.00002728743018
                3p
                   -1 :              -0.00006847695192
                   +0 :               0.00000193466193
                   +1 :               0.00002853005862
                3d
                   -2 :               0.00000202656917
                   -1 :              -0.00000166023591
                   +0 :               0.00000703412730
                   +1 :              -0.00000666285035
                   +2 :              -0.00000452155986
             11 vec=     7.989968    -13.112543     -8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00002956146346
                2s
                   +0 :              -0.00028701611740
                3s
                   +0 :               0.00004570134883
                2p
                   -1 :               0.00018849561025
                   +0 :               0.00002257885840
                   +1 :              -0.00010697500589
                3p
                   -1 :              -0.00007427673742
                   +0 :               0.00003860122488
                   +1 :              -0.00000077888596
                3d
                   -2 :               0.00000572019125
                   -1 :              -0.00000181529606
                   +0 :              -0.00000160034268
                   +1 :               0.00000553376411
                   +2 :              -0.00000528301193
             12 vec=    -7.570358     13.838731     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000212198041
                2s
                   +0 :               0.00001045183219
                3s
                   +0 :               0.00001494330978
                2p
                   -1 :               0.00007816736925
                   +0 :               0.00001253612091
                   +1 :              -0.00000283728740
                3p
                   -1 :              -0.00007471659792
                   +0 :               0.00001130285441
                   +1 :              -0.00000153366298
                3d
                   -2 :              -0.00000160164566
                   -1 :              -0.00000236119243
                   +0 :              -0.00000186955171
                   +1 :              -0.00000002827427
                   +2 :               0.00000017818682
             13 vec=    15.770130      0.363094     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000701219184
                2s
                   +0 :               0.00003212854582
                3s
                   +0 :              -0.00003423092677
                2p
                   -1 :              -0.00004513726203
                   +0 :               0.00001914511203
                   +1 :              -0.00002715918395
                3p
                   -1 :               0.00003722772425
                   +0 :               0.00000789351254
                   +1 :              -0.00002499603293
                3d
                   -2 :               0.00000505413935
                   -1 :              -0.00000586610409
                   +0 :              -0.00000239508660
                   +1 :               0.00000595833256
                   +2 :              -0.00000237826068
             14 vec=     7.989968     13.838731     -8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00002061692816
                2s
                   +0 :               0.00017795554535
                3s
                   +0 :              -0.00004088893066
                2p
                   -1 :               0.00007019873442
                   +0 :               0.00003870145458
                   +1 :               0.00004641260529
                3p
                   -1 :              -0.00003477993422
                   +0 :              -0.00003203617285
                   +1 :              -0.00003088682495
                3d
                   -2 :               0.00000476961362
                   -1 :              -0.00000146201158
                   +0 :              -0.00000081955905
                   +1 :               0.00000075458316
                   +2 :               0.00000026426329
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 19)  npairs=  14
              1 vec=     0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000976413105
                2s
                   +0 :              -0.00062898569027
                3s
                   +0 :              -0.00008995906184
                2p
                   -1 :              -0.00076353935492
                   +0 :               0.00028091794947
                   +1 :               0.00057347316126
                3p
                   -1 :               0.00036540415149
                   +0 :              -0.00012309593172
                   +1 :              -0.00039268758902
                3d
                   -2 :               0.00004365363996
                   -1 :              -0.00000878761102
                   +0 :               0.00002629165239
                   +1 :               0.00000430330378
                   +2 :              -0.00001940279350
              2 vec=     0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00010588504216
                2s
                   +0 :              -0.00030279680732
                3s
                   +0 :               0.00042915158285
                2p
                   -1 :               0.00082380650017
                   +0 :              -0.00072054493125
                   +1 :              -0.00025037629682
                3p
                   -1 :              -0.00067016545459
                   +0 :               0.00076877888952
                   +1 :               0.00015843568386
                3d
                   -2 :              -0.00000159546393
                   -1 :              -0.00004747583814
                   +0 :              -0.00000590020559
                   +1 :               0.00001946942960
                   +2 :               0.00000839212674
              3 vec=     0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013403895683
                2s
                   +0 :              -0.00161486719967
                3s
                   +0 :               0.00017976868513
                2p
                   -1 :              -0.00077995015184
                   +0 :               0.00106693422563
                   +1 :              -0.00025385979273
                3p
                   -1 :               0.00040613198751
                   +0 :              -0.00005018469254
                   +1 :               0.00007406566907
                3d
                   -2 :              -0.00002628128833
                   -1 :               0.00001322529971
                   +0 :              -0.00007782351881
                   +1 :               0.00001313178495
                   +2 :              -0.00001754560042
              4 vec=     0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001259180201
                2s
                   +0 :               0.00057817165394
                3s
                   +0 :               0.00002437207634
                2p
                   -1 :               0.00053081945162
                   +0 :               0.00039538906096
                   +1 :               0.00013323435671
                3p
                   -1 :              -0.00019922430014
                   +0 :               0.00017376922949
                   +1 :               0.00008932652192
                3d
                   -2 :               0.00001084326506
                   -1 :               0.00001321251850
                   +0 :               0.00003157803768
                   +1 :               0.00004440272559
                   +2 :               0.00002231595190
              5 vec=    -7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003150703413
                2s
                   +0 :              -0.00041733833164
                3s
                   +0 :               0.00011761276498
                2p
                   -1 :              -0.00021552798060
                   +0 :               0.00027477749441
                   +1 :               0.00007698748883
                3p
                   -1 :              -0.00007066061240
                   +0 :              -0.00021207550937
                   +1 :               0.00001446951623
                3d
                   -2 :               0.00000517592070
                   -1 :               0.00002424135161
                   +0 :               0.00002165319489
                   +1 :              -0.00001098465876
                   +2 :               0.00000245751790
              6 vec=    -7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00011391011875
                2s
                   +0 :               0.00105736686959
                3s
                   +0 :              -0.00016864049948
                2p
                   -1 :               0.00018751222842
                   +0 :               0.00014903366114
                   +1 :              -0.00018964850208
                3p
                   -1 :               0.00008023480967
                   +0 :               0.00015515297109
                   +1 :               0.00003826369094
                3d
                   -2 :              -0.00002226076698
                   -1 :               0.00002525132142
                   +0 :               0.00002922595743
                   +1 :              -0.00000632522075
                   +2 :              -0.00001104616513
              7 vec=     7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00007414244040
                2s
                   +0 :              -0.00080826663558
                3s
                   +0 :               0.00015687187493
                2p
                   -1 :              -0.00062264150618
                   +0 :               0.00045547081857
                   +1 :              -0.00018556673885
                3p
                   -1 :               0.00018024183676
                   +0 :              -0.00022290027532
                   +1 :              -0.00000623902860
                3d
                   -2 :              -0.00000845068905
                   -1 :               0.00001437450390
                   +0 :               0.00000884203910
                   +1 :               0.00000215045623
                   +2 :               0.00000298898409
              8 vec=     7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00009648443264
                2s
                   +0 :               0.00077976061350
                3s
                   +0 :              -0.00016484404955
                2p
                   -1 :               0.00007271971748
                   +0 :               0.00021680083050
                   +1 :               0.00013723051415
                3p
                   -1 :               0.00019136600315
                   +0 :               0.00000304067547
                   +1 :              -0.00004873765184
                3d
                   -2 :               0.00002439043840
                   -1 :               0.00004127789709
                   +0 :              -0.00000844998989
                   +1 :              -0.00000585744940
                   +2 :              -0.00001868055529
              9 vec=    -7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002078587490
                2s
                   +0 :              -0.00017947189908
                3s
                   +0 :               0.00001563730012
                2p
                   -1 :               0.00013647432239
                   +0 :              -0.00004242284204
                   +1 :              -0.00001774226189
                3p
                   -1 :              -0.00004892273687
                   +0 :               0.00010961178730
                   +1 :               0.00008744662084
                3d
                   -2 :              -0.00000744236488
                   -1 :              -0.00000700896020
                   +0 :              -0.00002188544747
                   +1 :              -0.00000724107788
                   +2 :               0.00001257960754
             10 vec=    -7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00003020258524
                2s
                   +0 :               0.00031255700338
                3s
                   +0 :              -0.00006858972275
                2p
                   -1 :              -0.00017476158549
                   +0 :               0.00016350380904
                   +1 :              -0.00020858492481
                3p
                   -1 :               0.00005153985304
                   +0 :              -0.00006118944167
                   +1 :               0.00010452072862
                3d
                   -2 :               0.00000350492936
                   -1 :               0.00000129376877
                   +0 :               0.00001555195130
                   +1 :               0.00000463576246
                   +2 :              -0.00000134274434
             11 vec=     7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000600414195
                2s
                   +0 :              -0.00012819175838
                3s
                   +0 :               0.00000162518109
                2p
                   -1 :               0.00004882935524
                   +0 :               0.00012477877287
                   +1 :              -0.00014591171716
                3p
                   -1 :               0.00000098705929
                   +0 :              -0.00003694363853
                   +1 :               0.00003603522231
                3d
                   -2 :              -0.00000105349252
                   -1 :              -0.00000268731008
                   +0 :               0.00000379974826
                   +1 :              -0.00000215488272
                   +2 :               0.00000182258743
             12 vec=     7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001481302594
                2s
                   +0 :               0.00022938351733
                3s
                   +0 :              -0.00002633612981
                2p
                   -1 :              -0.00003116697475
                   +0 :               0.00000690758187
                   +1 :               0.00022302149063
                3p
                   -1 :              -0.00004178698404
                   +0 :               0.00006980476494
                   +1 :              -0.00013727122660
                3d
                   -2 :              -0.00000099613603
                   -1 :              -0.00000750204040
                   +0 :               0.00000744446862
                   +1 :              -0.00001108721529
                   +2 :              -0.00001536482827
             13 vec=     0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001265010942
                2s
                   +0 :              -0.00022107843603
                3s
                   +0 :              -0.00001888688458
                2p
                   -1 :               0.00013586533761
                   +0 :              -0.00010992762851
                   +1 :               0.00005236541054
                3p
                   -1 :               0.00003542789949
                   +0 :               0.00010452663048
                   +1 :              -0.00000838333926
                3d
                   -2 :              -0.00000369275523
                   -1 :              -0.00001448465365
                   +0 :              -0.00000243497136
                   +1 :               0.00000352886603
                   +2 :               0.00001161821272
             14 vec=     0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001199899910
                2s
                   +0 :               0.00017003113479
                3s
                   +0 :              -0.00001949089877
                2p
                   -1 :              -0.00020709308397
                   +0 :               0.00004255782051
                   +1 :              -0.00002050928853
                3p
                   -1 :               0.00007645222252
                   +0 :              -0.00001228766950
                   +1 :               0.00002103579150
                3d
                   -2 :               0.00000589431655
                   -1 :               0.00000734074692
                   +0 :              -0.00000065220006
                   +1 :               0.00000507300647
                   +2 :              -0.00000216169322
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 20)  npairs=  18
              1 vec=     3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00004954643255
                2s
                   +0 :              -0.00000300827903
                3s
                   +0 :              -0.00014519513183
                2p
                   -1 :               0.00017722255943
                   +0 :               0.00020733103054
                   +1 :               0.00029941110725
                3p
                   -1 :              -0.00021129197562
                   +0 :              -0.00018737716062
                   +1 :              -0.00026995076464
                3d
                   -2 :              -0.00001331505892
                   -1 :              -0.00000039664636
                   +0 :               0.00003045024761
                   +1 :               0.00003692721434
                   +2 :              -0.00004508195284
              2 vec=     3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006933745254
                2s
                   +0 :              -0.00028294508015
                3s
                   +0 :               0.00019078773103
                2p
                   -1 :               0.00016409247632
                   +0 :              -0.00016666138497
                   +1 :              -0.00043230355122
                3p
                   -1 :               0.00011468900082
                   +0 :               0.00000204284470
                   +1 :               0.00038124636271
                3d
                   -2 :               0.00002392206451
                   -1 :               0.00006973242481
                   +0 :              -0.00002035477670
                   +1 :               0.00002295145749
                   +2 :               0.00000750620855
              3 vec=    -4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00014753459390
                2s
                   +0 :              -0.00168493065675
                3s
                   +0 :               0.00023377598982
                2p
                   -1 :               0.00003581776337
                   +0 :               0.00091172208615
                   +1 :               0.00000496196799
                3p
                   -1 :              -0.00009207954487
                   +0 :               0.00000840303066
                   +1 :               0.00020944073258
                3d
                   -2 :               0.00002991940234
                   -1 :               0.00002697941717
                   +0 :              -0.00000451155644
                   +1 :              -0.00003185484086
                   +2 :               0.00001812686691
              4 vec=    -4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00014694001700
                2s
                   +0 :               0.00168433321464
                3s
                   +0 :              -0.00021234007824
                2p
                   -1 :               0.00026826940092
                   +0 :               0.00086821364309
                   +1 :               0.00005322081536
                3p
                   -1 :              -0.00029964437444
                   +0 :               0.00000647481966
                   +1 :              -0.00008362468019
                3d
                   -2 :              -0.00003072635735
                   -1 :              -0.00003758591811
                   +0 :               0.00000075500941
                   +1 :              -0.00000233873883
                   +2 :              -0.00001564510931
              5 vec=    -4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004594842147
                2s
                   +0 :              -0.00047970328019
                3s
                   +0 :               0.00009749652228
                2p
                   -1 :               0.00010590908389
                   +0 :               0.00025786922243
                   +1 :               0.00046546329099
                3p
                   -1 :              -0.00011826848154
                   +0 :              -0.00001199587764
                   +1 :              -0.00009767761829
                3d
                   -2 :               0.00001445004089
                   -1 :               0.00000898494693
                   +0 :               0.00001298881115
                   +1 :              -0.00002593095206
                   +2 :              -0.00001510251997
              6 vec=    -4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004403704666
                2s
                   +0 :               0.00074190345210
                3s
                   +0 :              -0.00011019000673
                2p
                   -1 :              -0.00007345736566
                   +0 :               0.00070217113250
                   +1 :              -0.00035816146545
                3p
                   -1 :               0.00009723455713
                   +0 :              -0.00014623261165
                   +1 :              -0.00006067898225
                3d
                   -2 :              -0.00002146098198
                   -1 :               0.00000200076453
                   +0 :               0.00001223494189
                   +1 :              -0.00003148428044
                   +2 :               0.00003987257078
              7 vec=     3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00015127038185
                2s
                   +0 :              -0.00212397082642
                3s
                   +0 :               0.00023289279381
                2p
                   -1 :               0.00092176702420
                   +0 :               0.00136061668563
                   +1 :               0.00008765427366
                3p
                   -1 :              -0.00008303953725
                   +0 :              -0.00016949155297
                   +1 :               0.00004755287067
                3d
                   -2 :              -0.00001642242922
                   -1 :              -0.00006170861897
                   +0 :              -0.00003698227886
                   +1 :              -0.00001827138087
                   +2 :               0.00005684849805
              8 vec=     3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00007310056441
                2s
                   +0 :               0.00076404224939
                3s
                   +0 :              -0.00015493173309
                2p
                   -1 :              -0.00040171416783
                   +0 :               0.00036263545811
                   +1 :              -0.00040234139949
                3p
                   -1 :               0.00004018972096
                   +0 :              -0.00004974313257
                   +1 :               0.00018868559416
                3d
                   -2 :               0.00000794070836
                   -1 :              -0.00003400430195
                   +0 :              -0.00001630768029
                   +1 :              -0.00000008937873
                   +2 :              -0.00002238540291
              9 vec=     3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001358166624
                2s
                   +0 :               0.00010479115950
                3s
                   +0 :              -0.00002724768816
                2p
                   -1 :              -0.00007298120054
                   +0 :              -0.00005134593689
                   +1 :               0.00019127683040
                3p
                   -1 :              -0.00000227518889
                   +0 :               0.00002674925263
                   +1 :              -0.00019471595251
                3d
                   -2 :              -0.00001319429375
                   -1 :              -0.00000105397554
                   +0 :               0.00000032407349
                   +1 :               0.00001601571467
                   +2 :               0.00000385047792
             10 vec=     3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00006466110627
                2s
                   +0 :              -0.00055827651924
                3s
                   +0 :               0.00006869987594
                2p
                   -1 :               0.00010537186128
                   +0 :               0.00016348446386
                   +1 :              -0.00011514632477
                3p
                   -1 :              -0.00003550489155
                   +0 :              -0.00024318015105
                   +1 :              -0.00003796833608
                3d
                   -2 :              -0.00000071904704
                   -1 :              -0.00000193885198
                   +0 :              -0.00001996979108
                   +1 :              -0.00001849609555
                   +2 :              -0.00000954021743
             11 vec=    10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001991810927
                2s
                   +0 :              -0.00017592165428
                3s
                   +0 :               0.00006434684896
                2p
                   -1 :               0.00003485200872
                   +0 :               0.00003155900655
                   +1 :              -0.00014299699435
                3p
                   -1 :              -0.00001462840157
                   +0 :              -0.00002808783219
                   +1 :              -0.00001180772380
                3d
                   -2 :              -0.00000070638293
                   -1 :               0.00000451029965
                   +0 :               0.00000168338374
                   +1 :              -0.00000225812640
                   +2 :              -0.00000125681721
             12 vec=    10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002048898179
                2s
                   +0 :               0.00024451653936
                3s
                   +0 :              -0.00001916050267
                2p
                   -1 :              -0.00012293031591
                   +0 :               0.00008051336232
                   +1 :               0.00003998784098
                3p
                   -1 :               0.00009610676189
                   +0 :              -0.00000846339565
                   +1 :               0.00007637019827
                3d
                   -2 :              -0.00000049943858
                   -1 :               0.00000706095399
                   +0 :               0.00000197793780
                   +1 :               0.00000885338777
                   +2 :               0.00001237118116
             13 vec=    10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000487556491
                2s
                   +0 :              -0.00002819348914
                3s
                   +0 :               0.00003099221450
                2p
                   -1 :              -0.00005826795135
                   +0 :               0.00005530402530
                   +1 :              -0.00011214089873
                3p
                   -1 :               0.00000004039551
                   +0 :              -0.00006765215715
                   +1 :               0.00006083872550
                3d
                   -2 :              -0.00000497776660
                   -1 :              -0.00000261527383
                   +0 :               0.00000137594897
                   +1 :              -0.00000447828264
                   +2 :               0.00000260817368
             14 vec=    10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002242583030
                2s
                   +0 :               0.00019367523719
                3s
                   +0 :              -0.00005905437079
                2p
                   -1 :               0.00017543241993
                   +0 :               0.00008554819174
                   +1 :               0.00003694008723
                3p
                   -1 :              -0.00007824714773
                   +0 :              -0.00003188014744
                   +1 :              -0.00001150030880
                3d
                   -2 :               0.00000452028324
                   -1 :              -0.00000349207428
                   +0 :               0.00000484953282
                   +1 :              -0.00000122849765
                   +2 :               0.00000156308821
             15 vec=   -12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000943646575
                2s
                   +0 :              -0.00008848086239
                3s
                   +0 :               0.00003968537916
                2p
                   -1 :              -0.00008413764711
                   +0 :               0.00003017068547
                   +1 :               0.00003179042374
                3p
                   -1 :               0.00008365944225
                   +0 :              -0.00002240747485
                   +1 :              -0.00002287851443
                3d
                   -2 :              -0.00000965177662
                   -1 :              -0.00000716552583
                   +0 :              -0.00000430176902
                   +1 :               0.00000861845208
                   +2 :               0.00000481832041
             16 vec=   -12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002982167885
                2s
                   +0 :               0.00027539550612
                3s
                   +0 :              -0.00008235682676
                2p
                   -1 :              -0.00002906885954
                   +0 :               0.00010803775205
                   +1 :              -0.00020889192266
                3p
                   -1 :               0.00000750303052
                   +0 :              -0.00007392633919
                   +1 :               0.00012002105114
                3d
                   -2 :              -0.00000127370775
                   -1 :               0.00000185599278
                   +0 :              -0.00000306868251
                   +1 :               0.00000530088589
                   +2 :               0.00000276742540
             17 vec=    -4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002504531339
                2s
                   +0 :              -0.00023048427698
                3s
                   +0 :               0.00006222800622
                2p
                   -1 :               0.00013742345770
                   +0 :               0.00004336536023
                   +1 :               0.00015618629317
                3p
                   -1 :              -0.00009192718188
                   +0 :              -0.00003931359328
                   +1 :              -0.00007128250244
                3d
                   -2 :               0.00000119333335
                   -1 :               0.00000548383388
                   +0 :               0.00000538034010
                   +1 :               0.00000456583450
                   +2 :               0.00000081435265
             18 vec=    -4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000640893858
                2s
                   +0 :               0.00007344454648
                3s
                   +0 :              -0.00002543139799
                2p
                   -1 :              -0.00005595658233
                   +0 :               0.00000335049519
                   +1 :               0.00005104094438
                3p
                   -1 :               0.00004964566820
                   +0 :              -0.00000632921438
                   +1 :              -0.00006335659905
                3d
                   -2 :               0.00000071017360
                   -1 :               0.00000894544933
                   +0 :               0.00000480706175
                   +1 :              -0.00000182357935
                   +2 :               0.00001029812186
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 21)  npairs=  14
              1 vec=    -2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00008861299060
                2s
                   +0 :               0.00004552674945
                3s
                   +0 :              -0.00037162659027
                2p
                   -1 :               0.00048785896685
                   +0 :              -0.00063483900816
                   +1 :              -0.00041976443102
                3p
                   -1 :              -0.00041178469302
                   +0 :               0.00066934169587
                   +1 :               0.00047276341557
                3d
                   -2 :               0.00000121101934
                   -1 :               0.00003932469774
                   +0 :               0.00000745739912
                   +1 :              -0.00002460613464
                   +2 :               0.00000012420999
              2 vec=    -2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008248052519
                2s
                   +0 :              -0.00009642162196
                3s
                   +0 :               0.00025233593384
                2p
                   -1 :              -0.00018370271659
                   +0 :               0.00006440707225
                   +1 :               0.00014033644972
                3p
                   -1 :               0.00025821382484
                   +0 :              -0.00002535636122
                   +1 :              -0.00004597824693
                3d
                   -2 :               0.00000764874852
                   -1 :               0.00002053233198
                   +0 :              -0.00001682614133
                   +1 :              -0.00001162542883
                   +2 :              -0.00003508624852
              3 vec=     5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011581481624
                2s
                   +0 :              -0.00169106604455
                3s
                   +0 :               0.00011105549055
                2p
                   -1 :               0.00000274443683
                   +0 :               0.00116667454694
                   +1 :              -0.00053200506285
                3p
                   -1 :              -0.00019733169555
                   +0 :              -0.00000357693688
                   +1 :              -0.00002579148067
                3d
                   -2 :              -0.00004657379847
                   -1 :               0.00004250133304
                   +0 :              -0.00002716569627
                   +1 :               0.00006725094920
                   +2 :              -0.00001565381541
              4 vec=     5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00018007016870
                2s
                   +0 :               0.00207057992788
                3s
                   +0 :              -0.00021508089777
                2p
                   -1 :              -0.00011961039870
                   +0 :               0.00100142950713
                   +1 :               0.00073086891799
                3p
                   -1 :               0.00007605319634
                   +0 :               0.00010827282887
                   +1 :              -0.00037733891805
                3d
                   -2 :               0.00002774739382
                   -1 :              -0.00000779697294
                   +0 :               0.00008492031410
                   +1 :               0.00002018250512
                   +2 :               0.00001061428851
              5 vec=    -2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00008636756941
                2s
                   +0 :              -0.00092032639017
                3s
                   +0 :               0.00011068288110
                2p
                   -1 :               0.00035903531810
                   +0 :               0.00006231675311
                   +1 :              -0.00015374522554
                3p
                   -1 :               0.00001116839870
                   +0 :               0.00026952013794
                   +1 :               0.00004681979851
                3d
                   -2 :               0.00002583675410
                   -1 :              -0.00002867587617
                   +0 :              -0.00002816183234
                   +1 :               0.00001722574218
                   +2 :               0.00001293817586
              6 vec=    -2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00004495418944
                2s
                   +0 :               0.00055886773388
                3s
                   +0 :              -0.00013905464398
                2p
                   -1 :              -0.00022513399170
                   +0 :               0.00035314977938
                   +1 :               0.00018904509237
                3p
                   -1 :               0.00000506631959
                   +0 :              -0.00023103368674
                   +1 :               0.00000502373020
                3d
                   -2 :              -0.00000954218520
                   -1 :              -0.00001828627435
                   +0 :              -0.00001827446364
                   +1 :               0.00001099111274
                   +2 :              -0.00000024405243
              7 vec=     5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00003860402616
                2s
                   +0 :              -0.00027170259541
                3s
                   +0 :               0.00008687608440
                2p
                   -1 :              -0.00007189353542
                   +0 :               0.00002185674502
                   +1 :              -0.00011139597754
                3p
                   -1 :               0.00007160228281
                   +0 :               0.00001983178440
                   +1 :              -0.00007772176445
                3d
                   -2 :               0.00000640775161
                   -1 :              -0.00002286241686
                   +0 :               0.00001543655195
                   +1 :               0.00001692782171
                   +2 :              -0.00001492156783
              8 vec=     5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001178188857
                2s
                   +0 :              -0.00015682113680
                3s
                   +0 :              -0.00001213179506
                2p
                   -1 :              -0.00033266216372
                   +0 :              -0.00013015165368
                   +1 :               0.00018872496879
                3p
                   -1 :               0.00015455226930
                   +0 :              -0.00005991727999
                   +1 :              -0.00004305567187
                3d
                   -2 :              -0.00001654326837
                   -1 :              -0.00002519617902
                   +0 :              -0.00002530467269
                   +1 :              -0.00000524886263
                   +2 :               0.00000484698809
              9 vec=   -10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002507992621
                2s
                   +0 :              -0.00024000917744
                3s
                   +0 :               0.00005841405306
                2p
                   -1 :               0.00005501457087
                   +0 :               0.00011024616727
                   +1 :               0.00019297358223
                3p
                   -1 :              -0.00003463671076
                   +0 :              -0.00003743813038
                   +1 :              -0.00007268094768
                3d
                   -2 :              -0.00000185947828
                   -1 :               0.00000126899095
                   +0 :              -0.00001604163674
                   +1 :               0.00000127346578
                   +2 :              -0.00000152109348
             10 vec=   -10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00002713801589
                2s
                   +0 :               0.00025389569908
                3s
                   +0 :              -0.00002250209460
                2p
                   -1 :               0.00008991433750
                   +0 :               0.00005041311570
                   +1 :              -0.00009188601049
                3p
                   -1 :              -0.00008652261236
                   +0 :               0.00006051267027
                   +1 :              -0.00002468269160
                3d
                   -2 :              -0.00000527053893
                   -1 :              -0.00000106548050
                   +0 :               0.00001797914019
                   +1 :              -0.00001550138029
                   +2 :               0.00001479287319
             11 vec=    -2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001930654097
                2s
                   +0 :               0.00012955702947
                3s
                   +0 :              -0.00004632564792
                2p
                   -1 :              -0.00013830020626
                   +0 :              -0.00009705890077
                   +1 :              -0.00019849726074
                3p
                   -1 :               0.00006339153876
                   +0 :               0.00010442675251
                   +1 :               0.00014397221276
                3d
                   -2 :               0.00000948811939
                   -1 :              -0.00000521032330
                   +0 :              -0.00000615952300
                   +1 :              -0.00000953322578
                   +2 :              -0.00000759609873
             12 vec=    -2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00006904455584
                2s
                   +0 :              -0.00058536425163
                3s
                   +0 :               0.00010775452030
                2p
                   -1 :              -0.00005206428636
                   +0 :               0.00001034011199
                   +1 :               0.00015385341238
                3p
                   -1 :               0.00008232186004
                   +0 :              -0.00010957308819
                   +1 :               0.00001929443074
                3d
                   -2 :              -0.00000478454985
                   -1 :               0.00000766539186
                   +0 :              -0.00000419990949
                   +1 :               0.00002356176793
                   +2 :              -0.00001624778078
             13 vec=   -10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001308047486
                2s
                   +0 :               0.00008548830540
                3s
                   +0 :              -0.00002651439922
                2p
                   -1 :              -0.00007670614499
                   +0 :              -0.00007875652663
                   +1 :               0.00009214401853
                3p
                   -1 :               0.00001828509513
                   +0 :               0.00003212709296
                   +1 :              -0.00004229767550
                3d
                   -2 :              -0.00000395733521
                   -1 :              -0.00000078764306
                   +0 :               0.00000232067539
                   +1 :               0.00001045671643
                   +2 :              -0.00000483520089
             14 vec=   -10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000542763116
                2s
                   +0 :               0.00011270987699
                3s
                   +0 :               0.00001247955867
                2p
                   -1 :               0.00013603555560
                   +0 :              -0.00007756292777
                   +1 :              -0.00003474900057
                3p
                   -1 :              -0.00002461739790
                   +0 :               0.00005308414325
                   +1 :              -0.00004474851407
                3d
                   -2 :              -0.00001445399409
                   -1 :               0.00000803471425
                   +0 :              -0.00000235628821
                   +1 :              -0.00000941460599
                   +2 :               0.00000530208874
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 22)  npairs=  12
              1 vec=    -4.767165     -0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00005783290117
                2s
                   +0 :              -0.00002034897737
                3s
                   +0 :               0.00032552762677
                2p
                   -1 :               0.00240556721716
                   +0 :              -0.01420195175006
                   +1 :              -0.00022706363135
                3p
                   -1 :              -0.00158292629651
                   +0 :              -0.00281141809114
                   +1 :               0.00252645477692
                3d
                   -2 :               0.00026932454651
                   -1 :              -0.00023332579947
                   +0 :              -0.00008759885473
                   +1 :               0.00195730637347
                   +2 :              -0.00010780987705
              2 vec=     3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00158798852861
                2s
                   +0 :               0.01006101550374
                3s
                   +0 :              -0.00481041622935
                2p
                   -1 :              -0.00558113397735
                   +0 :              -0.00038989402759
                   +1 :               0.00158979072114
                3p
                   -1 :               0.00408648240920
                   +0 :              -0.00491881558695
                   +1 :              -0.00113237762589
                3d
                   -2 :               0.00015974733310
                   -1 :               0.00062996169511
                   +0 :               0.00041282648819
                   +1 :              -0.00031023657477
                   +2 :               0.00019472421848
              3 vec=     3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00052089352159
                2s
                   +0 :              -0.00327449911979
                3s
                   +0 :               0.00225771466947
                2p
                   -1 :               0.00109540715941
                   +0 :              -0.00476809050750
                   +1 :              -0.00587364923891
                3p
                   -1 :               0.00023367026892
                   +0 :               0.00307044664005
                   +1 :               0.00255149240983
                3d
                   -2 :               0.00153399672483
                   -1 :              -0.00097682838107
                   +0 :              -0.00056172505871
                   +1 :              -0.00024086375584
                   +2 :              -0.00012772978442
              4 vec=    -4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00008779905249
                2s
                   +0 :              -0.00055222009394
                3s
                   +0 :               0.00024763065008
                2p
                   -1 :               0.00028873737447
                   +0 :              -0.00028312863836
                   +1 :              -0.00129523729588
                3p
                   -1 :              -0.00019283466429
                   +0 :              -0.00023820996416
                   +1 :               0.00098730705622
                3d
                   -2 :              -0.00005920367938
                   -1 :              -0.00002089456556
                   +0 :              -0.00004328037351
                   +1 :               0.00000442327788
                   +2 :               0.00005664863950
              5 vec=    -4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00056525481403
                2s
                   +0 :               0.00462492313586
                3s
                   +0 :              -0.00131574840555
                2p
                   -1 :               0.00031833460927
                   +0 :               0.00040746960192
                   +1 :              -0.00179656022431
                3p
                   -1 :               0.00037339494735
                   +0 :              -0.00068841164092
                   +1 :               0.00071117876358
                3d
                   -2 :              -0.00016514769449
                   -1 :              -0.00009900397696
                   +0 :              -0.00021101497473
                   +1 :               0.00001251926306
                   +2 :              -0.00004922433163
              6 vec=    10.793160      0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00001070910367
                2s
                   +0 :               0.00036230983831
                3s
                   +0 :               0.00000485764262
                2p
                   -1 :               0.00026758626513
                   +0 :              -0.00043286928207
                   +1 :              -0.00005812111300
                3p
                   -1 :              -0.00042055946013
                   +0 :               0.00008005076980
                   +1 :               0.00005317240983
                3d
                   -2 :              -0.00009155952697
                   -1 :               0.00003634685196
                   +0 :              -0.00001016395526
                   +1 :               0.00004480442506
                   +2 :               0.00003089099976
              7 vec=   -12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00002230731698
                2s
                   +0 :               0.00008775916921
                3s
                   +0 :              -0.00007550272650
                2p
                   -1 :              -0.00019235564690
                   +0 :              -0.00062332815991
                   +1 :              -0.00005703980303
                3p
                   -1 :               0.00007383619769
                   +0 :               0.00038786969402
                   +1 :               0.00004858379209
                3d
                   -2 :              -0.00000186452601
                   -1 :               0.00001438333407
                   +0 :              -0.00000726533719
                   +1 :              -0.00002121068682
                   +2 :              -0.00001001176550
              8 vec=   -12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00002205844502
                2s
                   +0 :              -0.00012166327192
                3s
                   +0 :               0.00003743654603
                2p
                   -1 :              -0.00012643717502
                   +0 :              -0.00017279801226
                   +1 :               0.00009361317997
                3p
                   -1 :               0.00005354301157
                   +0 :               0.00002000797485
                   +1 :               0.00002812838160
                3d
                   -2 :              -0.00000534539051
                   -1 :              -0.00000337289455
                   +0 :               0.00002096903830
                   +1 :              -0.00001160196757
                   +2 :               0.00000162038170
              9 vec=     3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000142598685
                2s
                   +0 :              -0.00007164337087
                3s
                   +0 :              -0.00000537764161
                2p
                   -1 :              -0.00006572719458
                   +0 :              -0.00006123649854
                   +1 :              -0.00018571155846
                3p
                   -1 :               0.00012814694363
                   +0 :              -0.00003260480430
                   +1 :               0.00013759900841
                3d
                   -2 :              -0.00000087959413
                   -1 :              -0.00000993809364
                   +0 :               0.00000554854081
                   +1 :              -0.00000645472576
                   +2 :              -0.00000323726836
             10 vec=     3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000322520633
                2s
                   +0 :               0.00009843868706
                3s
                   +0 :               0.00005021887166
                2p
                   -1 :              -0.00013932167524
                   +0 :               0.00034539866425
                   +1 :              -0.00050376671158
                3p
                   -1 :               0.00022705029851
                   +0 :              -0.00025113236498
                   +1 :               0.00016244724965
                3d
                   -2 :              -0.00000340418632
                   -1 :              -0.00000067524938
                   +0 :              -0.00000219507490
                   +1 :               0.00001379149242
                   +2 :              -0.00002839208605
             11 vec=    10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00004162472728
                2s
                   +0 :              -0.00029308051254
                3s
                   +0 :               0.00014029173717
                2p
                   -1 :               0.00025695566975
                   +0 :               0.00000101886520
                   +1 :              -0.00001708656284
                3p
                   -1 :              -0.00015669122753
                   +0 :              -0.00004608684299
                   +1 :              -0.00003315804078
                3d
                   -2 :               0.00000070779224
                   -1 :               0.00000884457509
                   +0 :              -0.00001558931434
                   +1 :               0.00000435365922
                   +2 :              -0.00001199487609
             12 vec=    10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00004030045923
                2s
                   +0 :               0.00031305241665
                3s
                   +0 :              -0.00012540652627
                2p
                   -1 :              -0.00000853321856
                   +0 :              -0.00009584218136
                   +1 :               0.00007829402332
                3p
                   -1 :              -0.00006074885974
                   +0 :               0.00007109081235
                   +1 :              -0.00007796365584
                3d
                   -2 :              -0.00003411998906
                   -1 :               0.00002251574532
                   +0 :               0.00000165866130
                   +1 :               0.00002066812237
                   +2 :              -0.00001794772853
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 23)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00332769923578
                2s
                   +0 :              -0.04406579901628
                3s
                   +0 :               0.00739080734670
                2p
                   -1 :              -0.01149697999280
                   +0 :               0.89397578114216
                   +1 :               0.01590529945894
                3p
                   -1 :               0.00303757417540
                   +0 :              -0.04326946370498
                   +1 :              -0.00556556051889
                3d
                   -2 :               0.00110125345314
                   -1 :              -0.00501390829418
                   +0 :              -0.00126884088192
                   +1 :              -0.00434798326285
                   +2 :              -0.00126517187166
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00017808068474
                2s
                   +0 :              -0.00115936911318
                3s
                   +0 :               0.00033193605397
                2p
                   -1 :              -0.00075963831076
                   +0 :              -0.00061760248922
                   +1 :               0.00130356495296
                3p
                   -1 :               0.00085795042763
                   +0 :               0.00070377220556
                   +1 :              -0.00065384111860
                3d
                   -2 :              -0.00015408789790
                   -1 :              -0.00008796104362
                   +0 :               0.00004335693018
                   +1 :              -0.00019733684025
                   +2 :               0.00010011486050
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00001796185373
                2s
                   +0 :              -0.00038650460554
                3s
                   +0 :              -0.00013826991777
                2p
                   -1 :               0.00015590032962
                   +0 :               0.00014713792479
                   +1 :               0.00081535485514
                3p
                   -1 :              -0.00060183521814
                   +0 :              -0.00000040772480
                   +1 :              -0.00013051184078
                3d
                   -2 :               0.00002157484299
                   -1 :               0.00010997828929
                   +0 :              -0.00002889222333
                   +1 :              -0.00006662201200
                   +2 :              -0.00000689441371
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00005181471214
                2s
                   +0 :               0.00008016807031
                3s
                   +0 :              -0.00030814739462
                2p
                   -1 :              -0.00040966428416
                   +0 :              -0.00069254922540
                   +1 :              -0.00000761494129
                3p
                   -1 :               0.00044875049142
                   +0 :               0.00096634788035
                   +1 :              -0.00004877656398
                3d
                   -2 :              -0.00002430518466
                   -1 :              -0.00029925097346
                   +0 :               0.00000335839892
                   +1 :               0.00003110867533
                   +2 :               0.00024020744615
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00032624970652
                2s
                   +0 :              -0.00181689976280
                3s
                   +0 :               0.00075564907858
                2p
                   -1 :              -0.00251740446819
                   +0 :               0.00192748216834
                   +1 :               0.00220394063591
                3p
                   -1 :              -0.00004071374399
                   +0 :              -0.00073756508852
                   +1 :              -0.00150059950697
                3d
                   -2 :               0.00008660910362
                   -1 :               0.00015154185303
                   +0 :               0.00014787566869
                   +1 :              -0.00010986630529
                   +2 :               0.00020870900061
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00015329501023
                2s
                   +0 :               0.00099026618193
                3s
                   +0 :              -0.00089352438361
                2p
                   -1 :              -0.00040065707417
                   +0 :               0.00126020972777
                   +1 :               0.00078934003370
                3p
                   -1 :               0.00059154478324
                   +0 :              -0.00114621814486
                   +1 :              -0.00111932197821
                3d
                   -2 :               0.00015150238516
                   -1 :               0.00002745096469
                   +0 :               0.00008124719933
                   +1 :              -0.00016329793803
                   +2 :              -0.00010736540234
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00002205642633
                2s
                   +0 :              -0.00000180056710
                3s
                   +0 :               0.00029368041345
                2p
                   -1 :              -0.00016209575097
                   +0 :               0.00044286983185
                   +1 :              -0.00122910660751
                3p
                   -1 :              -0.00024489707225
                   +0 :              -0.00032564623793
                   +1 :               0.00069201107470
                3d
                   -2 :              -0.00012276724198
                   -1 :               0.00002494249465
                   +0 :               0.00000736414391
                   +1 :               0.00005744369474
                   +2 :              -0.00005105119524
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002498611795
                2s
                   +0 :              -0.00023344286848
                3s
                   +0 :               0.00001960823240
                2p
                   -1 :              -0.00011134873621
                   +0 :              -0.00018209689101
                   +1 :               0.00006203320650
                3p
                   -1 :               0.00008356598151
                   +0 :               0.00012002704541
                   +1 :               0.00012339113457
                3d
                   -2 :               0.00000518555150
                   -1 :               0.00001181135315
                   +0 :               0.00002107567518
                   +1 :              -0.00001352681063
                   +2 :              -0.00001128788505
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000840168392
                2s
                   +0 :              -0.00001893317961
                3s
                   +0 :              -0.00003485007077
                2p
                   -1 :               0.00011826572880
                   +0 :              -0.00003039855213
                   +1 :               0.00009012441639
                3p
                   -1 :              -0.00006749009724
                   +0 :              -0.00002828855110
                   +1 :              -0.00006039843032
                3d
                   -2 :              -0.00000480247528
                   -1 :              -0.00000645084149
                   +0 :               0.00000775326916
                   +1 :               0.00000130032796
                   +2 :               0.00000881968319
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004042416683
                2s
                   +0 :               0.00049028287632
                3s
                   +0 :              -0.00002950482575
                2p
                   -1 :               0.00051989291299
                   +0 :              -0.00005502880487
                   +1 :              -0.00042541883597
                3p
                   -1 :              -0.00017103012638
                   +0 :              -0.00003250043654
                   +1 :               0.00012481251821
                3d
                   -2 :              -0.00001414602263
                   -1 :              -0.00000566006023
                   +0 :              -0.00000921283549
                   +1 :               0.00000083118667
                   +2 :              -0.00001053831734
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000996172161
                2s
                   +0 :               0.00003758816848
                3s
                   +0 :              -0.00003074941994
                2p
                   -1 :               0.00004931959823
                   +0 :              -0.00017865669179
                   +1 :              -0.00003613778354
                3p
                   -1 :              -0.00004779795066
                   +0 :               0.00004321484116
                   +1 :               0.00001173758223
                3d
                   -2 :              -0.00001368652841
                   -1 :              -0.00000828522013
                   +0 :              -0.00000303217657
                   +1 :               0.00000118121418
                   +2 :               0.00000786442845
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008107434184
                2s
                   +0 :               0.00079844936825
                3s
                   +0 :              -0.00018958238863
                2p
                   -1 :               0.00064212392249
                   +0 :               0.00010396254329
                   +1 :               0.00048313046675
                3p
                   -1 :              -0.00020291349318
                   +0 :              -0.00011429126418
                   +1 :              -0.00026115171052
                3d
                   -2 :               0.00000746406518
                   -1 :              -0.00002518556544
                   +0 :              -0.00001354243664
                   +1 :              -0.00000727240199
                   +2 :              -0.00002184558560
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001748651888
                2s
                   +0 :               0.00015511219739
                3s
                   +0 :              -0.00005201690622
                2p
                   -1 :              -0.00001109059942
                   +0 :              -0.00001541089490
                   +1 :               0.00006560993877
                3p
                   -1 :              -0.00000083978046
                   +0 :              -0.00002634639733
                   +1 :              -0.00006351095610
                3d
                   -2 :              -0.00000170561190
                   -1 :               0.00000127746672
                   +0 :              -0.00000181813133
                   +1 :              -0.00000365811561
                   +2 :               0.00000051842786
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001188337840
                2s
                   +0 :              -0.00008173250202
                3s
                   +0 :               0.00002713715600
                2p
                   -1 :              -0.00004813530307
                   +0 :              -0.00002745684867
                   +1 :              -0.00000434083547
                3p
                   -1 :               0.00003223967318
                   +0 :               0.00000153484778
                   +1 :               0.00004419386178
                3d
                   -2 :              -0.00000123857027
                   -1 :               0.00000006240590
                   +0 :               0.00000028519777
                   +1 :              -0.00000140547985
                   +2 :              -0.00000450069652
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000063052396
                2s
                   +0 :               0.00001733764557
                3s
                   +0 :               0.00000124456725
                2p
                   -1 :              -0.00001180056428
                   +0 :              -0.00002654757780
                   +1 :               0.00000600627956
                3p
                   -1 :               0.00000214344144
                   +0 :               0.00001254826224
                   +1 :              -0.00000483140489
                3d
                   -2 :              -0.00000035135758
                   -1 :              -0.00000007610185
                   +0 :               0.00000159524353
                   +1 :               0.00000043921527
                   +2 :              -0.00000119156226
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001797716017
                2s
                   +0 :              -0.00014395547273
                3s
                   +0 :               0.00004507477120
                2p
                   -1 :               0.00009418680878
                   +0 :               0.00003604344862
                   +1 :               0.00004741225903
                3p
                   -1 :              -0.00005285371911
                   +0 :              -0.00005336620466
                   +1 :              -0.00003331285151
                3d
                   -2 :               0.00000245415464
                   -1 :               0.00000655313325
                   +0 :              -0.00000438956198
                   +1 :              -0.00000523526291
                   +2 :              -0.00000517467143
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000937709255
                2s
                   +0 :               0.00012252830734
                3s
                   +0 :              -0.00000336153560
                2p
                   -1 :               0.00010579004264
                   +0 :              -0.00001067970233
                   +1 :               0.00000425354525
                3p
                   -1 :              -0.00003126110459
                   +0 :              -0.00000303922427
                   +1 :              -0.00002428337322
                3d
                   -2 :              -0.00000044018464
                   -1 :              -0.00000319923771
                   +0 :               0.00000142405365
                   +1 :              -0.00000088155306
                   +2 :              -0.00000307944268
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000320928143
                2s
                   +0 :              -0.00001655019545
                3s
                   +0 :               0.00001323611476
                2p
                   -1 :              -0.00002667519655
                   +0 :              -0.00000437644292
                   +1 :              -0.00009557882287
                3p
                   -1 :               0.00001732730352
                   +0 :              -0.00001498673961
                   +1 :               0.00007103895840
                3d
                   -2 :               0.00000018639297
                   -1 :              -0.00000079531583
                   +0 :               0.00000251619210
                   +1 :               0.00000024167238
                   +2 :               0.00000426264296
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000715084944
                2s
                   +0 :               0.00009567132353
                3s
                   +0 :              -0.00001374047075
                2p
                   -1 :               0.00003365604469
                   +0 :              -0.00000911613559
                   +1 :               0.00004722409301
                3p
                   -1 :              -0.00000627004506
                   +0 :              -0.00000787930684
                   +1 :              -0.00003562013091
                3d
                   -2 :              -0.00000004985501
                   -1 :              -0.00000222196207
                   +0 :               0.00000206166484
                   +1 :              -0.00000226057054
                   +2 :              -0.00000352344014
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 24)  npairs=  12
              1 vec=    -2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00015707927899
                2s
                   +0 :               0.00261556235915
                3s
                   +0 :              -0.00043145201748
                2p
                   -1 :               0.00468724445142
                   +0 :              -0.01420288777405
                   +1 :               0.00133568026416
                3p
                   -1 :              -0.00383068956044
                   +0 :              -0.00298854558421
                   +1 :              -0.00111411707719
                3d
                   -2 :               0.00020378048410
                   -1 :               0.00182814191813
                   +0 :               0.00016067768520
                   +1 :               0.00115128420600
                   +2 :              -0.00028054213405
              2 vec=    -2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00110345672765
                2s
                   +0 :              -0.00829264464188
                3s
                   +0 :               0.00399329568454
                2p
                   -1 :              -0.00540371444569
                   +0 :               0.00460357192404
                   +1 :               0.00425032444990
                3p
                   -1 :               0.00440908025795
                   +0 :              -0.00482569921425
                   +1 :              -0.00104442587667
                3d
                   -2 :              -0.00168434989690
                   -1 :              -0.00082640335505
                   +0 :              -0.00042690282373
                   +1 :               0.00014875035387
                   +2 :              -0.00043766369450
              3 vec=     5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00144186996145
                2s
                   +0 :               0.00851017453323
                3s
                   +0 :              -0.00359275924428
                2p
                   -1 :               0.00494240828138
                   +0 :              -0.00704179288971
                   +1 :               0.00847789071331
                3p
                   -1 :              -0.00307754506200
                   +0 :               0.00093984971794
                   +1 :              -0.00562726566180
                3d
                   -2 :              -0.00037384368379
                   -1 :              -0.00034822869114
                   +0 :               0.00043853702132
                   +1 :              -0.00091130202360
                   +2 :              -0.00011413182540
              4 vec=   -10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00005825803558
                2s
                   +0 :               0.00010505202282
                3s
                   +0 :              -0.00029966536738
                2p
                   -1 :               0.00037302555980
                   +0 :              -0.00069703500019
                   +1 :               0.00079486567340
                3p
                   -1 :              -0.00028647593366
                   +0 :               0.00008272192716
                   +1 :              -0.00015898345661
                3d
                   -2 :               0.00011963370623
                   -1 :               0.00001855153519
                   +0 :               0.00003983596906
                   +1 :              -0.00006715441473
                   +2 :              -0.00005623889244
              5 vec=     5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00005013469222
                2s
                   +0 :               0.00002076665516
                3s
                   +0 :               0.00022023307413
                2p
                   -1 :              -0.00066684591345
                   +0 :               0.00034404521806
                   +1 :               0.00079473216712
                3p
                   -1 :               0.00037115291985
                   +0 :              -0.00078047570087
                   +1 :              -0.00041284056854
                3d
                   -2 :              -0.00003207530307
                   -1 :               0.00007040068132
                   +0 :               0.00011018451935
                   +1 :              -0.00008658463766
                   +2 :               0.00010052067233
              6 vec=     5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00043590803075
                2s
                   +0 :               0.00363984084163
                3s
                   +0 :              -0.00069916889287
                2p
                   -1 :               0.00139202431512
                   +0 :               0.00150766602641
                   +1 :               0.00153897160740
                3p
                   -1 :              -0.00015930054423
                   +0 :              -0.00151976293116
                   +1 :              -0.00054738347447
                3d
                   -2 :               0.00008641536310
                   -1 :              -0.00003837679913
                   +0 :              -0.00011105786313
                   +1 :              -0.00006649424742
                   +2 :              -0.00000110545148
              7 vec=   -10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00003846934056
                2s
                   +0 :              -0.00039238247696
                3s
                   +0 :               0.00006587207146
                2p
                   -1 :               0.00063751892149
                   +0 :              -0.00019879329195
                   +1 :               0.00014169720117
                3p
                   -1 :              -0.00033504739202
                   +0 :               0.00003558813398
                   +1 :              -0.00008509401773
                3d
                   -2 :              -0.00000782717188
                   -1 :              -0.00001272637676
                   +0 :               0.00003037488860
                   +1 :               0.00001043932360
                   +2 :              -0.00000191010837
              8 vec=    -2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00003250077156
                2s
                   +0 :               0.00018669916556
                3s
                   +0 :              -0.00018124333814
                2p
                   -1 :              -0.00045814090703
                   +0 :              -0.00039149629553
                   +1 :              -0.00006719846101
                3p
                   -1 :               0.00047744453148
                   +0 :               0.00019682334520
                   +1 :               0.00009385452357
                3d
                   -2 :              -0.00000167386213
                   -1 :              -0.00000985244179
                   +0 :               0.00000155987391
                   +1 :               0.00000366334773
                   +2 :               0.00002173354669
              9 vec=   -10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000862634607
                2s
                   +0 :              -0.00005454859188
                3s
                   +0 :               0.00003985635061
                2p
                   -1 :              -0.00018792718769
                   +0 :               0.00005531323802
                   +1 :               0.00009360341898
                3p
                   -1 :              -0.00005007008715
                   +0 :              -0.00004170671971
                   +1 :              -0.00008280429820
                3d
                   -2 :               0.00003846964231
                   -1 :               0.00000991131584
                   +0 :              -0.00000577649255
                   +1 :              -0.00002381372418
                   +2 :               0.00001937406026
             10 vec=    13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000604453460
                2s
                   +0 :              -0.00000115746503
                3s
                   +0 :               0.00006801997994
                2p
                   -1 :              -0.00032399478586
                   +0 :               0.00010294221157
                   +1 :              -0.00019488273538
                3p
                   -1 :               0.00018529546851
                   +0 :              -0.00015666782129
                   +1 :               0.00018406556872
                3d
                   -2 :              -0.00001104457915
                   -1 :               0.00000341432808
                   +0 :              -0.00002928607481
                   +1 :              -0.00001572518679
                   +2 :               0.00000958285770
             11 vec=    -2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00002584475207
                2s
                   +0 :               0.00017674995925
                3s
                   +0 :              -0.00009570738201
                2p
                   -1 :               0.00009331829770
                   +0 :               0.00003518568401
                   +1 :               0.00031758640106
                3p
                   -1 :              -0.00008779972726
                   +0 :              -0.00003632521523
                   +1 :              -0.00003728232832
                3d
                   -2 :               0.00002797688834
                   -1 :               0.00001161494495
                   +0 :               0.00001779427468
                   +1 :              -0.00000836689210
                   +2 :               0.00001368925563
             12 vec=    13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00004161655433
                2s
                   +0 :               0.00036843108609
                3s
                   +0 :              -0.00005663819150
                2p
                   -1 :              -0.00006896233310
                   +0 :               0.00002191855431
                   +1 :               0.00014249240591
                3p
                   -1 :               0.00007387937406
                   +0 :              -0.00006809399132
                   +1 :              -0.00008159240804
                3d
                   -2 :               0.00001152257480
                   -1 :              -0.00000410129185
                   +0 :              -0.00000512936200
                   +1 :               0.00000171455004
                   +2 :              -0.00000355034870
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 25)  npairs=  14
              1 vec=    -2.593388      1.739555     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00226112695943
                2s
                   +0 :              -0.05941237510674
                3s
                   +0 :               0.00360470188718
                2p
                   -1 :              -0.01414040697477
                   +0 :               0.02441521005118
                   +1 :               0.02280030732000
                3p
                   -1 :              -0.00316823125966
                   +0 :               0.00134889584873
                   +1 :              -0.00209978663799
                3d
                   -2 :               0.00117117788762
                   -1 :               0.00126160103703
                   +0 :              -0.00123771262125
                   +1 :              -0.00269426312417
                   +2 :              -0.00034500820962
              2 vec=     5.186775     -2.752324     -4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00015745089359
                2s
                   +0 :               0.00184490414448
                3s
                   +0 :              -0.00072342256790
                2p
                   -1 :               0.00063938125371
                   +0 :               0.00130389804615
                   +1 :               0.00062227388306
                3p
                   -1 :              -0.00035031191211
                   +0 :              -0.00114383453222
                   +1 :              -0.00154421114144
                3d
                   -2 :              -0.00010468565361
                   -1 :               0.00016794769137
                   +0 :               0.00028964297066
                   +1 :              -0.00014475885757
                   +2 :              -0.00000860836154
              3 vec=    -2.593388     -7.244203     -4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00027293240076
                2s
                   +0 :               0.00238614344629
                3s
                   +0 :              -0.00112314166343
                2p
                   -1 :              -0.00159645513014
                   +0 :              -0.00378744529945
                   +1 :               0.00232728147202
                3p
                   -1 :               0.00110418095446
                   +0 :               0.00106310049963
                   +1 :              -0.00052648504558
                3d
                   -2 :              -0.00011526258177
                   -1 :               0.00005994773689
                   +0 :               0.00010333085988
                   +1 :               0.00021470489157
                   +2 :              -0.00002900154998
              4 vec=     5.186775      6.231434     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00020059984747
                2s
                   +0 :               0.00149201659059
                3s
                   +0 :              -0.00062360116296
                2p
                   -1 :              -0.00312886544953
                   +0 :              -0.00153092173671
                   +1 :              -0.00114758313440
                3p
                   -1 :               0.00081800697479
                   +0 :               0.00008299985897
                   +1 :               0.00113513353365
                3d
                   -2 :               0.00000485981976
                   -1 :              -0.00009916322706
                   +0 :               0.00008829522511
                   +1 :              -0.00006727188132
                   +2 :               0.00020840735161
              5 vec=   -10.373550     -2.752324     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00023681147432
                2s
                   +0 :               0.00122217110456
                3s
                   +0 :              -0.00082712883206
                2p
                   -1 :               0.00020361051734
                   +0 :               0.00062916807412
                   +1 :              -0.00094420670121
                3p
                   -1 :              -0.00019000298680
                   +0 :              -0.00057169793360
                   +1 :               0.00099310384972
                3d
                   -2 :               0.00003897178720
                   -1 :              -0.00001401320712
                   +0 :               0.00002935672774
                   +1 :               0.00002582188952
                   +2 :              -0.00006586567478
              6 vec=    -2.593388     10.723313     -4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00004725666879
                2s
                   +0 :               0.00045175531928
                3s
                   +0 :              -0.00021766397188
                2p
                   -1 :               0.00021883901046
                   +0 :              -0.00067219298276
                   +1 :              -0.00014000745266
                3p
                   -1 :              -0.00016151338549
                   +0 :               0.00044991510432
                   +1 :               0.00010035348447
                3d
                   -2 :              -0.00002122421900
                   -1 :               0.00000006289939
                   +0 :              -0.00001595474727
                   +1 :              -0.00001069130016
                   +2 :              -0.00000581551072
              7 vec=   -10.373550      6.231434     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00004464583485
                2s
                   +0 :               0.00017345988742
                3s
                   +0 :              -0.00019211436742
                2p
                   -1 :               0.00046166767010
                   +0 :              -0.00010833013288
                   +1 :              -0.00024324958964
                3p
                   -1 :              -0.00027340692022
                   +0 :               0.00023296157092
                   +1 :               0.00029682937838
                3d
                   -2 :              -0.00000348806070
                   -1 :              -0.00001025413470
                   +0 :               0.00002823185902
                   +1 :              -0.00002875523985
                   +2 :               0.00000625343290
              8 vec=     5.186775    -11.736082     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00009784271520
                2s
                   +0 :              -0.00114450415058
                3s
                   +0 :               0.00018961214493
                2p
                   -1 :               0.00084763309772
                   +0 :              -0.00012173134170
                   +1 :              -0.00062343474489
                3p
                   -1 :              -0.00020071156423
                   +0 :               0.00012806763894
                   +1 :               0.00025770946907
                3d
                   -2 :               0.00001366799795
                   -1 :              -0.00002162117902
                   +0 :               0.00001611324369
                   +1 :               0.00001609510759
                   +2 :               0.00004917574383
              9 vec=    12.966938      1.739555     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00001414585488
                2s
                   +0 :              -0.00029427861009
                3s
                   +0 :               0.00000429063970
                2p
                   -1 :              -0.00007134326077
                   +0 :               0.00022082295636
                   +1 :              -0.00053349402966
                3p
                   -1 :               0.00003158337535
                   +0 :              -0.00022726243148
                   +1 :               0.00015977192031
                3d
                   -2 :              -0.00001007128692
                   -1 :              -0.00000993937477
                   +0 :               0.00001518749997
                   +1 :              -0.00003288944599
                   +2 :              -0.00002025878388
             10 vec=    12.966938     -7.244203     -4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00004382926519
                2s
                   +0 :               0.00022606573915
                3s
                   +0 :              -0.00012354114694
                2p
                   -1 :              -0.00006846908385
                   +0 :               0.00001550380094
                   +1 :               0.00009884828396
                3p
                   -1 :               0.00006942886316
                   +0 :              -0.00002945344581
                   +1 :              -0.00011547616939
                3d
                   -2 :               0.00001015256997
                   -1 :               0.00000201514250
                   +0 :               0.00000208959597
                   +1 :               0.00000164140498
                   +2 :              -0.00000791384710
             11 vec=   -10.373550    -11.736082     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000139377022
                2s
                   +0 :              -0.00007841222345
                3s
                   +0 :              -0.00005928973679
                2p
                   -1 :              -0.00020005582363
                   +0 :              -0.00002799546320
                   +1 :               0.00002323664486
                3p
                   -1 :               0.00027050737382
                   +0 :               0.00003360735070
                   +1 :               0.00003930322231
                3d
                   -2 :              -0.00001778910875
                   -1 :              -0.00001041067057
                   +0 :               0.00000374974309
                   +1 :              -0.00000136085955
                   +2 :               0.00001994719122
             12 vec=     5.186775     15.215192     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00001503835880
                2s
                   +0 :               0.00016991125680
                3s
                   +0 :              -0.00003858193380
                2p
                   -1 :               0.00018339030692
                   +0 :              -0.00005257885137
                   +1 :              -0.00006651126560
                3p
                   -1 :              -0.00009470861831
                   +0 :               0.00004758012656
                   +1 :               0.00005529449373
                3d
                   -2 :               0.00000305312496
                   -1 :               0.00000518233621
                   +0 :              -0.00000246968617
                   +1 :               0.00000655587129
                   +2 :               0.00000275967066
             13 vec=    -2.593388    -16.227961     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00002821986662
                2s
                   +0 :              -0.00024691837315
                3s
                   +0 :               0.00007490827144
                2p
                   -1 :               0.00014156604332
                   +0 :               0.00003835660090
                   +1 :              -0.00008425735981
                3p
                   -1 :              -0.00005708598210
                   +0 :              -0.00004896563658
                   +1 :               0.00007679701644
                3d
                   -2 :              -0.00000619472662
                   -1 :               0.00000731947821
                   +0 :               0.00000690759734
                   +1 :              -0.00000217415493
                   +2 :              -0.00000168544200
             14 vec=    12.966938     10.723313     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00000527263026
                2s
                   +0 :              -0.00001072173834
                3s
                   +0 :               0.00001643706869
                2p
                   -1 :               0.00004210291619
                   +0 :               0.00004503602534
                   +1 :              -0.00003121154110
                3p
                   -1 :              -0.00002730879362
                   +0 :              -0.00001328298722
                   +1 :               0.00001344951842
                3d
                   -2 :              -0.00000189723483
                   -1 :               0.00000295808042
                   +0 :              -0.00000422998895
                   +1 :               0.00000012588979
                   +2 :              -0.00000475638415
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 26)  npairs=  14
              1 vec=     0.419610     -2.752324     -4.091257   |vec|=    4.948711
                1s
                   +0 :               0.00345399997882
                2s
                   +0 :              -0.08984526635157
                3s
                   +0 :               0.00580772360672
                2p
                   -1 :               0.03909267823233
                   +0 :               0.04790481431730
                   +1 :              -0.00807536814217
                3p
                   -1 :              -0.00511895131868
                   +0 :              -0.00594561588426
                   +1 :               0.00041710165217
                3d
                   -2 :               0.00091968533237
                   -1 :              -0.00184078792308
                   +0 :              -0.00133404399822
                   +1 :               0.00033182652845
                   +2 :               0.00216327644786
              2 vec=     0.419610      6.231434     -4.091257   |vec|=    7.466273
                1s
                   +0 :               0.00023318418418
                2s
                   +0 :              -0.00092280466006
                3s
                   +0 :               0.00151514242980
                2p
                   -1 :              -0.00167156296819
                   +0 :               0.00193388545972
                   +1 :               0.00211969299593
                3p
                   -1 :               0.00107073197376
                   +0 :              -0.00180418469954
                   +1 :              -0.00186593712767
                3d
                   -2 :               0.00001407673632
                   -1 :              -0.00027177773244
                   +0 :              -0.00024706127702
                   +1 :               0.00011561965042
                   +2 :              -0.00029710380601
              3 vec=    -7.360553      1.739555     -4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00022735490504
                2s
                   +0 :              -0.00099153666566
                3s
                   +0 :               0.00087125768995
                2p
                   -1 :               0.00051318574419
                   +0 :              -0.00316972713864
                   +1 :               0.00323912612386
                3p
                   -1 :               0.00119592005580
                   +0 :               0.00039865803753
                   +1 :              -0.00175983548535
                3d
                   -2 :              -0.00023418873839
                   -1 :              -0.00011556739177
                   +0 :               0.00002024024380
                   +1 :               0.00029815359103
                   +2 :              -0.00006503324502
              4 vec=     8.199773      1.739555     -4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00022988543077
                2s
                   +0 :              -0.00151039120117
                3s
                   +0 :               0.00061557687347
                2p
                   -1 :              -0.00023409469298
                   +0 :               0.00005942455323
                   +1 :              -0.00272631143175
                3p
                   -1 :               0.00054459831798
                   +0 :              -0.00105655377463
                   +1 :               0.00083257453348
                3d
                   -2 :               0.00003238889264
                   -1 :              -0.00003690462013
                   +0 :               0.00002998525541
                   +1 :              -0.00014658837338
                   +2 :              -0.00007531190429
              5 vec=    -7.360553     -7.244203     -4.091257   |vec|=   11.108312
                1s
                   +0 :              -0.00018898254677
                2s
                   +0 :               0.00068122684472
                3s
                   +0 :              -0.00049545568930
                2p
                   -1 :               0.00121506071913
                   +0 :               0.00087904030810
                   +1 :               0.00011563526143
                3p
                   -1 :              -0.00097865390845
                   +0 :              -0.00098761107358
                   +1 :               0.00001379516579
                3d
                   -2 :               0.00009445673115
                   -1 :               0.00005820667701
                   +0 :              -0.00007129755307
                   +1 :               0.00000934024121
                   +2 :              -0.00006688086819
              6 vec=     8.199773     -7.244203     -4.091257   |vec|=   11.681316
                1s
                   +0 :               0.00003768695304
                2s
                   +0 :              -0.00024323003218
                3s
                   +0 :              -0.00001681567888
                2p
                   -1 :              -0.00009615985986
                   +0 :              -0.00004798671480
                   +1 :              -0.00072249464462
                3p
                   -1 :              -0.00005591696936
                   +0 :              -0.00005197971753
                   +1 :               0.00064515664176
                3d
                   -2 :              -0.00002163760161
                   -1 :              -0.00002633974557
                   +0 :               0.00000283711702
                   +1 :               0.00002311417494
                   +2 :              -0.00001641012230
              7 vec=     0.419610    -11.736082     -4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00011740780684
                2s
                   +0 :              -0.00104611325807
                3s
                   +0 :               0.00031218825703
                2p
                   -1 :               0.00040313734929
                   +0 :               0.00056698109936
                   +1 :               0.00053149173938
                3p
                   -1 :              -0.00022358176839
                   +0 :              -0.00023121575600
                   +1 :              -0.00021050190398
                3d
                   -2 :              -0.00001253896359
                   -1 :               0.00002257498831
                   +0 :              -0.00001376541816
                   +1 :               0.00000484797112
                   +2 :               0.00001333378331
              8 vec=    -7.360553     10.723313     -4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00003442272245
                2s
                   +0 :               0.00010034319306
                3s
                   +0 :              -0.00020204135248
                2p
                   -1 :              -0.00043241011079
                   +0 :              -0.00039938841031
                   +1 :              -0.00019791371733
                3p
                   -1 :              -0.00016860106238
                   +0 :               0.00014638521819
                   +1 :               0.00029660525913
                3d
                   -2 :               0.00006698318450
                   -1 :               0.00001336899616
                   +0 :               0.00004326697997
                   +1 :              -0.00000662707581
                   +2 :               0.00002393062600
              9 vec=     8.199773     10.723313     -4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00005910779024
                2s
                   +0 :               0.00037675083668
                3s
                   +0 :              -0.00018284467688
                2p
                   -1 :              -0.00017208384673
                   +0 :              -0.00022312995869
                   +1 :               0.00023859665270
                3p
                   -1 :              -0.00004853169335
                   +0 :               0.00010408641440
                   +1 :              -0.00024560077502
                3d
                   -2 :              -0.00004028397594
                   -1 :               0.00001467713280
                   +0 :               0.00002747807506
                   +1 :               0.00000160978548
                   +2 :               0.00000409881882
             10 vec=     0.419610     15.215192     -4.091257   |vec|=   15.761235
                1s
                   +0 :              -0.00002003559039
                2s
                   +0 :               0.00014692278104
                3s
                   +0 :              -0.00004289065026
                2p
                   -1 :              -0.00000599566652
                   +0 :              -0.00000363852016
                   +1 :               0.00006957271943
                3p
                   -1 :              -0.00003952306678
                   +0 :               0.00000425705103
                   +1 :              -0.00009672506359
                3d
                   -2 :              -0.00000816640429
                   -1 :               0.00000221095198
                   +0 :              -0.00000098591393
                   +1 :              -0.00000078694130
                   +2 :              -0.00000174672627
             11 vec=   -15.140715     -2.752324     -4.091257   |vec|=   15.923408
                1s
                   +0 :               0.00005700708669
                2s
                   +0 :              -0.00037681161756
                3s
                   +0 :               0.00013829397315
                2p
                   -1 :               0.00010244480120
                   +0 :               0.00021147572320
                   +1 :               0.00012465745530
                3p
                   -1 :              -0.00007506601489
                   +0 :              -0.00018646507290
                   +1 :              -0.00002247893693
                3d
                   -2 :               0.00000249838825
                   -1 :               0.00000926281868
                   +0 :               0.00000919605618
                   +1 :               0.00002228908968
                   +2 :              -0.00000348742755
             12 vec=    15.979935     -2.752324     -4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00002519405870
                2s
                   +0 :               0.00017263197329
                3s
                   +0 :              -0.00008317475589
                2p
                   -1 :               0.00004172730952
                   +0 :              -0.00008032264847
                   +1 :               0.00005505761507
                3p
                   -1 :              -0.00003214215865
                   +0 :               0.00004980093759
                   +1 :              -0.00004705229489
                3d
                   -2 :              -0.00000352078988
                   -1 :              -0.00000273032598
                   +0 :               0.00000150923190
                   +1 :               0.00000203116849
                   +2 :              -0.00000737403367
             13 vec=   -15.140715      6.231434     -4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00000650840802
                2s
                   +0 :              -0.00003577023004
                3s
                   +0 :               0.00001483824494
                2p
                   -1 :               0.00003135077386
                   +0 :              -0.00008041118258
                   +1 :               0.00004570788916
                3p
                   -1 :              -0.00005714689803
                   +0 :               0.00004807337042
                   +1 :              -0.00001424047288
                3d
                   -2 :               0.00001063502647
                   -1 :              -0.00000124577173
                   +0 :               0.00000076574516
                   +1 :              -0.00000822442513
                   +2 :              -0.00000237891772
             14 vec=    15.979935      6.231434     -4.091257   |vec|=   17.633136
                1s
                   +0 :              -0.00000797076034
                2s
                   +0 :               0.00009315348995
                3s
                   +0 :              -0.00001136105531
                2p
                   -1 :              -0.00005447892316
                   +0 :              -0.00003832067724
                   +1 :               0.00004952526958
                3p
                   -1 :               0.00002443390547
                   +0 :               0.00001867827119
                   +1 :              -0.00002314178293
                3d
                   -2 :              -0.00000266801454
                   -1 :              -0.00000239555836
                   +0 :              -0.00000036833415
                   +1 :              -0.00000005576618
                   +2 :               0.00000318451818
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 27)  npairs=  14
              1 vec=     2.803193      1.376162     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00224466661109
                2s
                   +0 :              -0.05121192030768
                3s
                   +0 :               0.00352996153104
                2p
                   -1 :              -0.00785824931059
                   +0 :               0.02503227136856
                   +1 :              -0.02333981880975
                3p
                   -1 :              -0.00253255333658
                   +0 :              -0.00132050662156
                   +1 :               0.00298275611222
                3d
                   -2 :              -0.00092381352580
                   -1 :               0.00085197488783
                   +0 :              -0.00069235115897
                   +1 :               0.00266249581009
                   +2 :              -0.00104574072363
              2 vec=    -4.976970     -3.115717     -4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00223156357077
                2s
                   +0 :              -0.01612337515161
                3s
                   +0 :               0.00744426183280
                2p
                   -1 :               0.00950301583700
                   +0 :               0.00553180490315
                   +1 :               0.01268292196715
                3p
                   -1 :              -0.00659507155420
                   +0 :              -0.00436128697676
                   +1 :              -0.00906646298921
                3d
                   -2 :               0.00067011063515
                   -1 :               0.00028344687595
                   +0 :              -0.00038091604010
                   +1 :               0.00047786137232
                   +2 :               0.00030262371492
              3 vec=    -4.976970      5.868041     -4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00004039513256
                2s
                   +0 :              -0.00069220722068
                3s
                   +0 :              -0.00031053337532
                2p
                   -1 :              -0.00594007391248
                   +0 :              -0.00295461044282
                   +1 :               0.00097496443805
                3p
                   -1 :               0.00176986018012
                   +0 :               0.00106613671762
                   +1 :               0.00008142995208
                3d
                   -2 :               0.00015495122467
                   -1 :               0.00000057301859
                   +0 :               0.00012464534860
                   +1 :               0.00005517084641
                   +2 :               0.00008098941138
              4 vec=     2.803193     -7.607596     -4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00021658602717
                2s
                   +0 :              -0.00197194183431
                3s
                   +0 :               0.00016728168889
                2p
                   -1 :               0.00150684618648
                   +0 :              -0.00215520522649
                   +1 :              -0.00260772023170
                3p
                   -1 :               0.00090152535166
                   +0 :               0.00063711649377
                   +1 :               0.00053718233684
                3d
                   -2 :               0.00016256771495
                   -1 :               0.00004745334081
                   +0 :               0.00014945337880
                   +1 :              -0.00000295008846
                   +2 :               0.00018664738335
              5 vec=     2.803193     10.359920     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00001610327404
                2s
                   +0 :               0.00021187065832
                3s
                   +0 :               0.00010875589304
                2p
                   -1 :               0.00030740933326
                   +0 :              -0.00071080659548
                   +1 :              -0.00076998758527
                3p
                   -1 :              -0.00008668972993
                   +0 :               0.00036639867538
                   +1 :               0.00082521568568
                3d
                   -2 :               0.00011718579627
                   -1 :              -0.00003050184544
                   +0 :              -0.00004470535145
                   +1 :              -0.00006147722996
                   +2 :              -0.00003551542036
              6 vec=    10.583355     -3.115717     -4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00004917543272
                2s
                   +0 :              -0.00037270939812
                3s
                   +0 :               0.00016500080087
                2p
                   -1 :               0.00070121908559
                   +0 :              -0.00031710736399
                   +1 :              -0.00057299777047
                3p
                   -1 :              -0.00063961713143
                   +0 :               0.00017465996506
                   +1 :               0.00054554432963
                3d
                   -2 :              -0.00003225858666
                   -1 :               0.00001295515447
                   +0 :              -0.00003469999868
                   +1 :               0.00000080814858
                   +2 :               0.00006463886704
              7 vec=    10.583355      5.868041     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00003796796965
                2s
                   +0 :               0.00025273002941
                3s
                   +0 :              -0.00006609314735
                2p
                   -1 :               0.00002710729092
                   +0 :               0.00017697369958
                   +1 :               0.00019110006321
                3p
                   -1 :              -0.00006512275108
                   +0 :              -0.00005964885902
                   +1 :              -0.00012634912365
                3d
                   -2 :               0.00003089911841
                   -1 :              -0.00003094201073
                   +0 :              -0.00000531313521
                   +1 :              -0.00000059145913
                   +2 :               0.00000508258303
              8 vec=   -12.757133      1.376162     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00004167950357
                2s
                   +0 :              -0.00051671931363
                3s
                   +0 :               0.00002157128447
                2p
                   -1 :              -0.00024673364318
                   +0 :               0.00023372313995
                   +1 :               0.00013307432387
                3p
                   -1 :               0.00014995779783
                   +0 :              -0.00015222225029
                   +1 :               0.00016857200980
                3d
                   -2 :               0.00001076238013
                   -1 :              -0.00000053815430
                   +0 :               0.00001940943723
                   +1 :               0.00001084367000
                   +2 :              -0.00003988818177
              9 vec=    -4.976970    -12.099475     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00004010481797
                2s
                   +0 :              -0.00043781130898
                3s
                   +0 :               0.00004592263350
                2p
                   -1 :               0.00014248085666
                   +0 :              -0.00015605961441
                   +1 :              -0.00005369580081
                3p
                   -1 :               0.00003523808365
                   +0 :               0.00014081789660
                   +1 :               0.00005219558269
                3d
                   -2 :               0.00000941074926
                   -1 :              -0.00000556612427
                   +0 :               0.00000270248977
                   +1 :              -0.00000558123829
                   +2 :               0.00000257630534
             10 vec=   -12.757133     -7.607596     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00002631788485
                2s
                   +0 :              -0.00021281172786
                3s
                   +0 :               0.00002585985615
                2p
                   -1 :               0.00018603774018
                   +0 :               0.00007466126126
                   +1 :               0.00013844391643
                3p
                   -1 :              -0.00010479643504
                   +0 :              -0.00008290587132
                   +1 :              -0.00000236263680
                3d
                   -2 :              -0.00001439876737
                   -1 :               0.00001279056778
                   +0 :               0.00001631827930
                   +1 :               0.00000273315160
                   +2 :              -0.00000665766912
             11 vec=    -4.976970     14.851799     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000843412362
                2s
                   +0 :               0.00003188537866
                3s
                   +0 :               0.00002157700481
                2p
                   -1 :               0.00002705107612
                   +0 :              -0.00004459138818
                   +1 :              -0.00003432713915
                3p
                   -1 :               0.00001903012536
                   +0 :               0.00002847343855
                   +1 :              -0.00001413989015
                3d
                   -2 :              -0.00001372657593
                   -1 :               0.00000467363325
                   +0 :               0.00000063345627
                   +1 :              -0.00000650921703
                   +2 :              -0.00000337090788
             12 vec=    10.583355    -12.099475     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00001672719814
                2s
                   +0 :               0.00007275667299
                3s
                   +0 :              -0.00006640729927
                2p
                   -1 :              -0.00011476743107
                   +0 :               0.00002479578849
                   +1 :              -0.00000851905560
                3p
                   -1 :               0.00008688019584
                   +0 :              -0.00004176046181
                   +1 :              -0.00003294644063
                3d
                   -2 :               0.00000191116655
                   -1 :              -0.00000143533212
                   +0 :               0.00000726753747
                   +1 :               0.00000040169505
                   +2 :              -0.00000091027315
             13 vec=   -12.757133     10.359920     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00001370690476
                2s
                   +0 :              -0.00007127636358
                3s
                   +0 :               0.00004650108409
                2p
                   -1 :               0.00001785804185
                   +0 :              -0.00002443911345
                   +1 :              -0.00002219246965
                3p
                   -1 :               0.00000875751621
                   +0 :               0.00003437943705
                   +1 :               0.00002296948300
                3d
                   -2 :               0.00000198293394
                   -1 :              -0.00000181253737
                   +0 :              -0.00000520027594
                   +1 :              -0.00000448273964
                   +2 :              -0.00000122740335
             14 vec=     2.803193    -16.591354     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00001898631359
                2s
                   +0 :              -0.00016210234117
                3s
                   +0 :               0.00003634981584
                2p
                   -1 :               0.00009114896255
                   +0 :               0.00003145396563
                   +1 :               0.00006126575754
                3p
                   -1 :              -0.00003923662074
                   +0 :              -0.00005480018989
                   +1 :              -0.00001560763362
                3d
                   -2 :              -0.00000312219220
                   -1 :               0.00000310335516
                   +0 :              -0.00000082400674
                   +1 :              -0.00000005109796
                   +2 :              -0.00000374981397
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 28)  npairs=  14
              1 vec=     0.419091      0.000299      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00034373925137
                2s
                   +0 :               0.00129028004705
                3s
                   +0 :              -0.00107376890863
                2p
                   -1 :              -0.00145994275176
                   +0 :               0.00394757316236
                   +1 :               0.00052243241931
                3p
                   -1 :               0.00098866701038
                   +0 :              -0.00347907111759
                   +1 :              -0.00042701249213
                3d
                   -2 :              -0.00010804361048
                   -1 :              -0.00006782986884
                   +0 :              -0.00078638663818
                   +1 :               0.00000257377834
                   +2 :               0.00007008880701
              2 vec=    -7.361071     -4.491580      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00017646956692
                2s
                   +0 :              -0.00043448522081
                3s
                   +0 :               0.00070363003401
                2p
                   -1 :              -0.00023540095814
                   +0 :              -0.00107189591196
                   +1 :              -0.00162290728025
                3p
                   -1 :              -0.00000446583337
                   +0 :               0.00101940634776
                   +1 :               0.00106813072943
                3d
                   -2 :              -0.00004810479872
                   -1 :               0.00003442530182
                   +0 :               0.00007881373002
                   +1 :               0.00002286892624
                   +2 :              -0.00000128568158
              3 vec=    -7.361071      4.492178      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00007690934596
                2s
                   +0 :              -0.00034671088359
                3s
                   +0 :               0.00024745147103
                2p
                   -1 :               0.00001688592306
                   +0 :               0.00050769280768
                   +1 :              -0.00005410105964
                3p
                   -1 :               0.00000540129081
                   +0 :              -0.00019086948480
                   +1 :               0.00011410251525
                3d
                   -2 :               0.00000572266779
                   -1 :               0.00001567147444
                   +0 :              -0.00002296661307
                   +1 :              -0.00001539541720
                   +2 :              -0.00005245800298
              4 vec=     0.419091     -8.983459      8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00010109844670
                2s
                   +0 :               0.00085604174999
                3s
                   +0 :              -0.00033133977556
                2p
                   -1 :              -0.00090183021549
                   +0 :               0.00010702170407
                   +1 :               0.00013143191608
                3p
                   -1 :               0.00033613509908
                   +0 :              -0.00003527580059
                   +1 :              -0.00017281400645
                3d
                   -2 :              -0.00000094487107
                   -1 :               0.00001194643189
                   +0 :               0.00001918637392
                   +1 :               0.00000556113683
                   +2 :               0.00002827140692
              5 vec=     0.419091      8.984057      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00018706967487
                2s
                   +0 :              -0.00176926912405
                3s
                   +0 :              -0.00000383899474
                2p
                   -1 :              -0.00057584156207
                   +0 :              -0.00046910799179
                   +1 :              -0.00063923077968
                3p
                   -1 :              -0.00012218649128
                   +0 :              -0.00040105059076
                   +1 :               0.00048646119586
                3d
                   -2 :              -0.00001818531950
                   -1 :              -0.00018714874557
                   +0 :              -0.00008030157521
                   +1 :               0.00002370185938
                   +2 :               0.00010602727032
              6 vec=     8.199254     -4.491580      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00005090311850
                2s
                   +0 :               0.00093770883920
                3s
                   +0 :              -0.00006292724642
                2p
                   -1 :              -0.00053906787225
                   +0 :               0.00060438136537
                   +1 :               0.00071920822309
                3p
                   -1 :               0.00030219718892
                   +0 :              -0.00047319461832
                   +1 :              -0.00026276543014
                3d
                   -2 :               0.00001783114907
                   -1 :               0.00000805417530
                   +0 :               0.00002213845054
                   +1 :              -0.00001858442738
                   +2 :               0.00003515657848
              7 vec=     8.199254      4.492178      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00002767535793
                2s
                   +0 :               0.00027020740296
                3s
                   +0 :              -0.00004549815291
                2p
                   -1 :               0.00041841838266
                   +0 :              -0.00023141558952
                   +1 :               0.00030402489673
                3p
                   -1 :              -0.00025547328430
                   +0 :               0.00045114512438
                   +1 :              -0.00027216686330
                3d
                   -2 :              -0.00002596538445
                   -1 :               0.00001288205277
                   +0 :               0.00006506393382
                   +1 :               0.00001946091105
                   +2 :              -0.00004090383666
              8 vec=     0.419091      0.000299    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001280317154
                2s
                   +0 :               0.00005924112481
                3s
                   +0 :              -0.00007155570766
                2p
                   -1 :               0.00007207247522
                   +0 :              -0.00001273996096
                   +1 :              -0.00006041019209
                3p
                   -1 :              -0.00011674409431
                   +0 :               0.00007392622889
                   +1 :               0.00002175788007
                3d
                   -2 :              -0.00000778544083
                   -1 :               0.00000635123872
                   +0 :              -0.00001229349311
                   +1 :               0.00000071026768
                   +2 :               0.00000419256273
              9 vec=   -15.141234      0.000299      8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000387314329
                2s
                   +0 :               0.00008964994175
                3s
                   +0 :               0.00004480946875
                2p
                   -1 :              -0.00002591742215
                   +0 :               0.00007327817917
                   +1 :              -0.00013295245979
                3p
                   -1 :               0.00005026667720
                   +0 :              -0.00003046606761
                   +1 :               0.00005055307836
                3d
                   -2 :              -0.00000249092309
                   -1 :               0.00001022335016
                   +0 :              -0.00000213587085
                   +1 :               0.00000213269496
                   +2 :              -0.00000284459968
             10 vec=    -7.361071    -13.475338      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000425773455
                2s
                   +0 :               0.00005532334730
                3s
                   +0 :               0.00001171522182
                2p
                   -1 :               0.00001575971623
                   +0 :              -0.00003168811535
                   +1 :              -0.00007327032541
                3p
                   -1 :              -0.00006350574961
                   +0 :               0.00004809326437
                   +1 :               0.00004296197706
                3d
                   -2 :               0.00000277585169
                   -1 :              -0.00000815495732
                   +0 :              -0.00000328741319
                   +1 :              -0.00000344278400
                   +2 :              -0.00000672461558
             11 vec=    -7.361071     13.475936      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000406442751
                2s
                   +0 :               0.00000806627135
                3s
                   +0 :              -0.00001251169490
                2p
                   -1 :               0.00005969274167
                   +0 :               0.00006028765132
                   +1 :              -0.00007042189306
                3p
                   -1 :               0.00001873393228
                   +0 :               0.00001031622454
                   +1 :               0.00007722024940
                3d
                   -2 :              -0.00000338232029
                   -1 :               0.00000412280809
                   +0 :               0.00000318252097
                   +1 :               0.00000057480717
                   +2 :              -0.00000957964445
             12 vec=     8.199254    -13.475338      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00001698627599
                2s
                   +0 :               0.00014782416002
                3s
                   +0 :              -0.00002755970373
                2p
                   -1 :              -0.00005991836747
                   +0 :               0.00003329963927
                   +1 :              -0.00002817680837
                3p
                   -1 :               0.00000559183257
                   +0 :               0.00000369161785
                   +1 :               0.00005789543135
                3d
                   -2 :              -0.00000235646733
                   -1 :               0.00000018396221
                   +0 :               0.00000138641864
                   +1 :               0.00000276627024
                   +2 :              -0.00000008056252
             13 vec=     8.199254     13.475936      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00000043904359
                2s
                   +0 :               0.00001688664357
                3s
                   +0 :               0.00000103130425
                2p
                   -1 :               0.00006668873400
                   +0 :               0.00012675258658
                   +1 :              -0.00006623978611
                3p
                   -1 :              -0.00000041618733
                   +0 :              -0.00004592522294
                   +1 :               0.00003540605325
                3d
                   -2 :               0.00000379215786
                   -1 :               0.00000585486211
                   +0 :               0.00000275230008
                   +1 :              -0.00000306087550
                   +2 :              -0.00000178834705
             14 vec=    15.979417      0.000299      8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00001739905007
                2s
                   +0 :               0.00018888772531
                3s
                   +0 :              -0.00002663328726
                2p
                   -1 :              -0.00006508342320
                   +0 :               0.00009061938319
                   +1 :               0.00004520660503
                3p
                   -1 :               0.00005205422010
                   +0 :              -0.00005314888660
                   +1 :               0.00001371380195
                3d
                   -2 :               0.00000068768211
                   -1 :               0.00000507929819
                   +0 :              -0.00000109085099
                   +1 :              -0.00000087476569
                   +2 :              -0.00000099202203
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 29)  npairs=  15
              1 vec=    -2.592869     -4.491580      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00036224708199
                2s
                   +0 :               0.00355374098013
                3s
                   +0 :              -0.00054295849076
                2p
                   -1 :              -0.00035387299044
                   +0 :               0.00212853125270
                   +1 :              -0.00252397979642
                3p
                   -1 :               0.00003251082144
                   +0 :              -0.00018391409779
                   +1 :              -0.00013107248509
                3d
                   -2 :               0.00002714212427
                   -1 :              -0.00002325508433
                   +0 :               0.00001979337881
                   +1 :              -0.00017825230565
                   +2 :               0.00009561240098
              2 vec=    -2.592869      4.492178      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00001714714979
                2s
                   +0 :               0.00064614152999
                3s
                   +0 :               0.00031026113366
                2p
                   -1 :               0.00386410741737
                   +0 :               0.00540911494752
                   +1 :               0.00205061881910
                3p
                   -1 :              -0.00025280090526
                   +0 :              -0.00113288082511
                   +1 :              -0.00086703455319
                3d
                   -2 :              -0.00002442396550
                   -1 :               0.00035206118509
                   +0 :               0.00010300138949
                   +1 :               0.00007917908681
                   +2 :              -0.00018571389909
              3 vec=     5.187294      0.000299      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00026708933105
                2s
                   +0 :               0.00276156254906
                3s
                   +0 :               0.00008943857968
                2p
                   -1 :              -0.00107268459113
                   +0 :               0.00117369033417
                   +1 :              -0.00046366240094
                3p
                   -1 :               0.00019539368755
                   +0 :               0.00079829447459
                   +1 :               0.00144936284579
                3d
                   -2 :              -0.00001848729937
                   -1 :              -0.00016505581510
                   +0 :               0.00011326080782
                   +1 :               0.00024513822930
                   +2 :               0.00004570747719
              4 vec=   -10.373032      0.000299      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00006364322860
                2s
                   +0 :               0.00074841684046
                3s
                   +0 :              -0.00015688269654
                2p
                   -1 :              -0.00011399127838
                   +0 :              -0.00011457419238
                   +1 :              -0.00024772444243
                3p
                   -1 :               0.00033591206183
                   +0 :               0.00008310664369
                   +1 :               0.00010519700944
                3d
                   -2 :              -0.00000096224003
                   -1 :               0.00002606907751
                   +0 :               0.00003104794721
                   +1 :               0.00002303435205
                   +2 :              -0.00004662892069
              5 vec=     5.187294     -8.983459      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00004062915686
                2s
                   +0 :               0.00053034220170
                3s
                   +0 :              -0.00004642013983
                2p
                   -1 :              -0.00040968541652
                   +0 :              -0.00020168769047
                   +1 :               0.00010242814260
                3p
                   -1 :               0.00017829726326
                   +0 :               0.00027562949392
                   +1 :              -0.00008998706265
                3d
                   -2 :               0.00000583344095
                   -1 :               0.00000142921581
                   +0 :               0.00002097530616
                   +1 :               0.00000864054854
                   +2 :              -0.00000624386465
              6 vec=     5.187294      8.984057      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00007801756139
                2s
                   +0 :               0.00066914463116
                3s
                   +0 :              -0.00030308639529
                2p
                   -1 :               0.00002819559206
                   +0 :              -0.00023424683834
                   +1 :               0.00025566138979
                3p
                   -1 :               0.00013785114224
                   +0 :               0.00011185458655
                   +1 :              -0.00028203404266
                3d
                   -2 :               0.00004153112383
                   -1 :               0.00003455328909
                   +0 :              -0.00002124190383
                   +1 :              -0.00006593594438
                   +2 :              -0.00003986349860
              7 vec=   -10.373032     -8.983459      8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00003163177693
                2s
                   +0 :              -0.00015184915306
                3s
                   +0 :               0.00014376927397
                2p
                   -1 :               0.00012215895987
                   +0 :              -0.00008041627900
                   +1 :               0.00028460697746
                3p
                   -1 :              -0.00018479259209
                   +0 :               0.00007095458694
                   +1 :              -0.00025759775040
                3d
                   -2 :               0.00001446216000
                   -1 :              -0.00001144415373
                   +0 :              -0.00001662618624
                   +1 :              -0.00000809417274
                   +2 :              -0.00000809757436
              8 vec=    -2.592869    -13.475338      8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00000116251870
                2s
                   +0 :               0.00004755580261
                3s
                   +0 :               0.00000516759945
                2p
                   -1 :               0.00001318520508
                   +0 :               0.00012328873095
                   +1 :              -0.00004436333547
                3p
                   -1 :              -0.00007135989750
                   +0 :              -0.00009641041180
                   +1 :               0.00002172716328
                3d
                   -2 :              -0.00000223175056
                   -1 :               0.00000374458577
                   +0 :              -0.00000292204532
                   +1 :               0.00000663307681
                   +2 :              -0.00000142783521
              9 vec=   -10.373032      8.984057      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000927091037
                2s
                   +0 :               0.00004817952803
                3s
                   +0 :              -0.00003093916166
                2p
                   -1 :              -0.00003363958850
                   +0 :               0.00005000327943
                   +1 :              -0.00012465015099
                3p
                   -1 :               0.00003636072445
                   +0 :              -0.00002447531498
                   +1 :               0.00010053468453
                3d
                   -2 :              -0.00000103389087
                   -1 :              -0.00000098354212
                   +0 :               0.00000220321297
                   +1 :               0.00000051593252
                   +2 :              -0.00000251848292
             10 vec=    -2.592869     13.475936      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00004185664322
                2s
                   +0 :              -0.00035142291247
                3s
                   +0 :               0.00006773370960
                2p
                   -1 :              -0.00002207211430
                   +0 :               0.00002924824288
                   +1 :               0.00027379702760
                3p
                   -1 :              -0.00007597781932
                   +0 :               0.00011778283200
                   +1 :              -0.00007454585415
                3d
                   -2 :               0.00001372065720
                   -1 :               0.00002100641253
                   +0 :               0.00001467266312
                   +1 :              -0.00000457831476
                   +2 :               0.00000125578176
             11 vec=    12.967456     -4.491580      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00002821129279
                2s
                   +0 :               0.00031252997215
                3s
                   +0 :              -0.00004542174537
                2p
                   -1 :              -0.00010097937823
                   +0 :               0.00015160498016
                   +1 :               0.00015417141919
                3p
                   -1 :               0.00006173179197
                   +0 :              -0.00007844901061
                   +1 :               0.00000878077462
                3d
                   -2 :               0.00001282015339
                   -1 :              -0.00000600551395
                   +0 :              -0.00000321220492
                   +1 :              -0.00000914441814
                   +2 :               0.00000759027865
             12 vec=    12.967456      4.492178      8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000393307098
                2s
                   +0 :               0.00009220282731
                3s
                   +0 :               0.00000046320053
                2p
                   -1 :               0.00005922422099
                   +0 :               0.00000503303164
                   +1 :               0.00008747360995
                3p
                   -1 :              -0.00002045034883
                   +0 :               0.00000920370593
                   +1 :              -0.00007376311326
                3d
                   -2 :               0.00000126046320
                   -1 :              -0.00000187448099
                   +0 :              -0.00000410668015
                   +1 :               0.00000652247183
                   +2 :              -0.00000465532623
             13 vec=    -2.592869     -4.491580    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000350409342
                2s
                   +0 :              -0.00012326522831
                3s
                   +0 :              -0.00003310279180
                2p
                   -1 :              -0.00002206511589
                   +0 :               0.00013197844125
                   +1 :              -0.00011393813764
                3p
                   -1 :               0.00006905576774
                   +0 :               0.00001977442747
                   +1 :               0.00007765994057
                3d
                   -2 :              -0.00000509627040
                   -1 :              -0.00001054952411
                   +0 :               0.00000172069817
                   +1 :               0.00000155106319
                   +2 :               0.00000259023333
             14 vec=    -2.592869      4.492178    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003442586377
                2s
                   +0 :              -0.00024747355350
                3s
                   +0 :               0.00009084326134
                2p
                   -1 :               0.00004487718061
                   +0 :               0.00014934097678
                   +1 :              -0.00005580584313
                3p
                   -1 :              -0.00004021055149
                   +0 :              -0.00005602412221
                   +1 :               0.00008376550545
                3d
                   -2 :               0.00000310060963
                   -1 :              -0.00000060603630
                   +0 :               0.00000892583870
                   +1 :              -0.00000775964039
                   +2 :              -0.00000238468215
             15 vec=     5.187294      0.000299    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001849660633
                2s
                   +0 :              -0.00017896214323
                3s
                   +0 :               0.00000836893168
                2p
                   -1 :              -0.00014819384576
                   +0 :               0.00008181639464
                   +1 :               0.00004893492357
                3p
                   -1 :               0.00003331829878
                   +0 :               0.00008102676730
                   +1 :              -0.00003494402237
                3d
                   -2 :               0.00000568040903
                   -1 :               0.00000677466844
                   +0 :              -0.00000414966121
                   +1 :              -0.00000297350160
                   +2 :               0.00000031152062
WF             site_B          number of pairs
WF( 37)=[O_11_2pz]  to site O ( 30)  npairs=  15
              1 vec=    -4.976970      0.362794      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00044505970213
                2s
                   +0 :               0.00346994002513
                3s
                   +0 :              -0.00047805968704
                2p
                   -1 :               0.00009283381223
                   +0 :               0.00305515809335
                   +1 :              -0.00086975452616
                3p
                   -1 :              -0.00116843565715
                   +0 :              -0.00025635173048
                   +1 :              -0.00073030003896
                3d
                   -2 :               0.00014254602594
                   -1 :              -0.00029624829749
                   +0 :               0.00021569609100
                   +1 :              -0.00026643474203
                   +2 :               0.00008715156440
              2 vec=     2.803193     -4.129085      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00036859048058
                2s
                   +0 :               0.00416468545792
                3s
                   +0 :              -0.00026552229704
                2p
                   -1 :               0.00125477054252
                   +0 :               0.00396819994779
                   +1 :               0.00418924344138
                3p
                   -1 :              -0.00124009102035
                   +0 :              -0.00040027920603
                   +1 :              -0.00093942644804
                3d
                   -2 :               0.00001850784534
                   -1 :              -0.00009262710207
                   +0 :               0.00003653555922
                   +1 :               0.00009398503351
                   +2 :               0.00008792478069
              3 vec=     2.803193      4.854673      8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00022414270203
                2s
                   +0 :              -0.00226880773156
                3s
                   +0 :               0.00086088910539
                2p
                   -1 :               0.00270455060041
                   +0 :              -0.00084611413879
                   +1 :              -0.00202913967863
                3p
                   -1 :              -0.00017320858982
                   +0 :               0.00147266683985
                   +1 :               0.00064110494851
                3d
                   -2 :               0.00009913080812
                   -1 :               0.00013395060488
                   +0 :               0.00005935171910
                   +1 :              -0.00025760384513
                   +2 :              -0.00008498331773
              4 vec=    -4.976970     -8.620964      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00011319737850
                2s
                   +0 :               0.00102192347739
                3s
                   +0 :              -0.00042699167734
                2p
                   -1 :              -0.00069623798494
                   +0 :              -0.00027360140076
                   +1 :              -0.00034129145286
                3p
                   -1 :               0.00036496629861
                   +0 :               0.00001772267404
                   +1 :               0.00039948008136
                3d
                   -2 :              -0.00003554668936
                   -1 :               0.00004313405998
                   +0 :               0.00000196188031
                   +1 :               0.00005413094195
                   +2 :              -0.00001069459895
              5 vec=    -4.976970      9.346552      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00000985904078
                2s
                   +0 :               0.00023584663409
                3s
                   +0 :              -0.00000799436478
                2p
                   -1 :               0.00022436731157
                   +0 :               0.00005963524101
                   +1 :               0.00030831910980
                3p
                   -1 :              -0.00001587926304
                   +0 :              -0.00006511370559
                   +1 :              -0.00021610501198
                3d
                   -2 :              -0.00001168949019
                   -1 :              -0.00001015166150
                   +0 :              -0.00001807832789
                   +1 :               0.00000553658635
                   +2 :              -0.00001139382933
              6 vec=    10.583355      0.362794      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00004969636044
                2s
                   +0 :               0.00058350130063
                3s
                   +0 :              -0.00006313140345
                2p
                   -1 :               0.00023825703534
                   +0 :              -0.00017283919581
                   +1 :               0.00017460100242
                3p
                   -1 :              -0.00011727194747
                   +0 :               0.00017004781421
                   +1 :               0.00001551025653
                3d
                   -2 :              -0.00002170303030
                   -1 :               0.00000724790697
                   +0 :               0.00003027875464
                   +1 :              -0.00001537488208
                   +2 :              -0.00000720673325
              7 vec=   -12.757133     -4.129085      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00000995620953
                2s
                   +0 :               0.00023645483901
                3s
                   +0 :               0.00008350068826
                2p
                   -1 :               0.00003592683200
                   +0 :               0.00002238176268
                   +1 :              -0.00000475880170
                3p
                   -1 :              -0.00007729577279
                   +0 :               0.00013804368703
                   +1 :              -0.00019315573968
                3d
                   -2 :              -0.00000925904100
                   -1 :              -0.00000729199614
                   +0 :               0.00000767967471
                   +1 :              -0.00002797093077
                   +2 :               0.00001891445707
              8 vec=     2.803193    -13.112843      8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00001299366889
                2s
                   +0 :               0.00016019994905
                3s
                   +0 :              -0.00002544089531
                2p
                   -1 :              -0.00022184214974
                   +0 :               0.00005771618922
                   +1 :               0.00007143679732
                3p
                   -1 :               0.00008322828408
                   +0 :              -0.00003269647181
                   +1 :              -0.00003555828022
                3d
                   -2 :               0.00000017807369
                   -1 :              -0.00000464386420
                   +0 :              -0.00000737729330
                   +1 :              -0.00000703436861
                   +2 :               0.00000417026112
              9 vec=   -12.757133      4.854673      8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00000774148773
                2s
                   +0 :               0.00005846951466
                3s
                   +0 :              -0.00001995415383
                2p
                   -1 :               0.00013235660048
                   +0 :              -0.00006460368275
                   +1 :               0.00001496685220
                3p
                   -1 :              -0.00008486328772
                   +0 :               0.00005409059915
                   +1 :               0.00001222673136
                3d
                   -2 :              -0.00000016764845
                   -1 :               0.00000307756648
                   +0 :               0.00000390054872
                   +1 :               0.00000131759918
                   +2 :              -0.00000327963231
             10 vec=    10.583355     -8.620964      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00000990758910
                2s
                   +0 :               0.00001585796678
                3s
                   +0 :               0.00007989639487
                2p
                   -1 :              -0.00005676479240
                   +0 :               0.00007244815990
                   +1 :               0.00001976798522
                3p
                   -1 :              -0.00002694577869
                   +0 :              -0.00005634397124
                   +1 :               0.00001972131778
                3d
                   -2 :              -0.00000751526573
                   -1 :               0.00001071785836
                   +0 :               0.00000342917985
                   +1 :              -0.00000520615345
                   +2 :              -0.00000258381675
             11 vec=     2.803193     13.838431      8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00003236396528
                2s
                   +0 :              -0.00031841876325
                3s
                   +0 :               0.00005655986604
                2p
                   -1 :              -0.00015208780004
                   +0 :              -0.00002897283253
                   +1 :              -0.00016540762994
                3p
                   -1 :               0.00005559556290
                   +0 :               0.00015203711795
                   +1 :               0.00002224524276
                3d
                   -2 :              -0.00000944899725
                   -1 :               0.00000543835781
                   +0 :               0.00001261783810
                   +1 :               0.00000750049068
                   +2 :               0.00000385745351
             12 vec=    10.583355      9.346552      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00002000474860
                2s
                   +0 :               0.00020447845081
                3s
                   +0 :              -0.00002872683234
                2p
                   -1 :              -0.00001823506507
                   +0 :               0.00008005305192
                   +1 :               0.00009583151892
                3p
                   -1 :               0.00006607047622
                   +0 :               0.00001433863054
                   +1 :              -0.00003648603483
                3d
                   -2 :               0.00000322853042
                   -1 :               0.00000121152908
                   +0 :              -0.00000077895374
                   +1 :               0.00000763677664
                   +2 :               0.00000094400300
             13 vec=    -4.976970      0.362794    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00004401407452
                2s
                   +0 :              -0.00034465321494
                3s
                   +0 :               0.00010126604245
                2p
                   -1 :              -0.00008903733071
                   +0 :               0.00031196729693
                   +1 :               0.00021019108038
                3p
                   -1 :               0.00001024247704
                   +0 :              -0.00014732074698
                   +1 :              -0.00013430152024
                3d
                   -2 :               0.00000367809560
                   -1 :               0.00000555509055
                   +0 :              -0.00000013522389
                   +1 :               0.00000301293689
                   +2 :              -0.00000015463934
             14 vec=     2.803193     -4.129085    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00003336715566
                2s
                   +0 :              -0.00030669912560
                3s
                   +0 :               0.00006817874434
                2p
                   -1 :              -0.00005151905881
                   +0 :               0.00026359132462
                   +1 :               0.00013775511054
                3p
                   -1 :               0.00000898079214
                   +0 :              -0.00010838293460
                   +1 :              -0.00005637967568
                3d
                   -2 :              -0.00000645019883
                   -1 :               0.00000777652803
                   +0 :               0.00000790078981
                   +1 :              -0.00000487388509
                   +2 :               0.00000130026167
             15 vec=     2.803193      4.854673    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000458909463
                2s
                   +0 :              -0.00006928106336
                3s
                   +0 :              -0.00001250436093
                2p
                   -1 :               0.00001756584591
                   +0 :               0.00012979945015
                   +1 :              -0.00004490982525
                3p
                   -1 :              -0.00000198060538
                   +0 :              -0.00000747543119
                   +1 :              -0.00003589849530
                3d
                   -2 :               0.00000602147868
                   -1 :               0.00000068448156
                   +0 :              -0.00000273131106
                   +1 :               0.00000958842142
                   +2 :              -0.00000058162394
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al(  1)  npairs=  13
              1 vec=     0.209805      3.115717      6.601980   |vec|=    7.303276
                2s
                   +0 :              -0.00279967730549
                2p
                   -1 :              -0.00082492891919
                   +0 :              -0.00098319807231
                   +1 :               0.00019756831389
                3s
                   +0 :               0.01001087278685
                4s
                   +0 :              -0.00360960019426
                3p
                   -1 :               0.00327220861757
                   +0 :               0.00494698073728
                   +1 :              -0.00433174229572
                4p
                   -1 :              -0.00025323006985
                   +0 :              -0.00123888420499
                   +1 :               0.00056212094802
                3d
                   -2 :              -0.00031182526567
                   -1 :               0.00038348580189
                   +0 :               0.00053834206334
                   +1 :              -0.00178013135930
                   +2 :               0.00068670595548
              2 vec=     0.209805     -5.868041      6.601980   |vec|=    8.835387
                2s
                   +0 :              -0.00067348853074
                2p
                   -1 :               0.00037323928112
                   +0 :               0.00008966867137
                   +1 :              -0.00074915254424
                3s
                   +0 :               0.00509512471952
                4s
                   +0 :              -0.00223776915272
                3p
                   -1 :              -0.00405882607878
                   +0 :               0.00098919802007
                   +1 :               0.00506857728425
                4p
                   -1 :               0.00138109871729
                   +0 :              -0.00043535193860
                   +1 :              -0.00168770655473
                3d
                   -2 :              -0.00163657517403
                   -1 :              -0.00071358397802
                   +0 :              -0.00037354398766
                   +1 :               0.00095190643197
                   +2 :              -0.00059598508294
              3 vec=    -7.570358     -1.376162      6.601980   |vec|=   10.138554
                2s
                   +0 :               0.00001076195144
                2p
                   -1 :              -0.00031084959006
                   +0 :              -0.00035664020177
                   +1 :              -0.00051611059588
                3s
                   +0 :              -0.00164901205578
                4s
                   +0 :               0.00109027624867
                3p
                   -1 :               0.00217222779564
                   +0 :               0.00104346325656
                   +1 :               0.00375174209354
                4p
                   -1 :              -0.00051984884883
                   +0 :              -0.00001344424515
                   +1 :              -0.00138290954691
                3d
                   -2 :              -0.00019060521787
                   -1 :               0.00043296509232
                   +0 :               0.00063682610606
                   +1 :              -0.00007909133800
                   +2 :              -0.00062661262234
              4 vec=     7.989968     -1.376162      6.601980   |vec|=   10.455599
                2s
                   +0 :              -0.00172609589976
                2p
                   -1 :              -0.00021829931313
                   +0 :              -0.00040784206947
                   +1 :              -0.00055393612452
                3s
                   +0 :               0.00651353232656
                4s
                   +0 :              -0.00182144361328
                3p
                   -1 :               0.00110364676325
                   +0 :               0.00232600665224
                   +1 :               0.00321753184541
                4p
                   -1 :              -0.00028015734235
                   +0 :              -0.00047464245466
                   +1 :              -0.00067693328477
                3d
                   -2 :               0.00032332417072
                   -1 :               0.00042556734662
                   +0 :               0.00007374731223
                   +1 :               0.00049615995249
                   +2 :               0.00034912625166
              5 vec=    -7.570358      7.607596      6.601980   |vec|=   12.600475
                2s
                   +0 :              -0.00049714907828
                2p
                   -1 :              -0.00004574240956
                   +0 :              -0.00032029097653
                   +1 :               0.00027497867513
                3s
                   +0 :               0.00161825049368
                4s
                   +0 :              -0.00067449603159
                3p
                   -1 :               0.00013906735779
                   +0 :               0.00152055252932
                   +1 :              -0.00126258737255
                4p
                   -1 :              -0.00000204413831
                   +0 :              -0.00042343935359
                   +1 :               0.00036131980615
                3d
                   -2 :              -0.00007729845722
                   -1 :               0.00010714252606
                   +0 :               0.00010105553075
                   +1 :              -0.00023594978629
                   +2 :               0.00000831345706
              6 vec=     7.989968      7.607596      6.601980   |vec|=   12.856953
                2s
                   +0 :              -0.00016289346897
                2p
                   -1 :              -0.00001813635621
                   +0 :              -0.00013302296478
                   +1 :               0.00006845050141
                3s
                   +0 :               0.00104606404031
                4s
                   +0 :              -0.00022618422542
                3p
                   -1 :               0.00028877353714
                   +0 :               0.00105847539730
                   +1 :              -0.00021236495422
                4p
                   -1 :              -0.00009187907302
                   +0 :              -0.00022974422100
                   +1 :               0.00019873892705
                3d
                   -2 :               0.00009176612237
                   -1 :               0.00009999051159
                   +0 :               0.00021128104992
                   +1 :               0.00019407699167
                   +2 :              -0.00001512530581
              7 vec=     0.209805     12.099475      6.601980   |vec|=   13.785044
                2s
                   +0 :               0.00023565527192
                2p
                   -1 :               0.00004550298087
                   +0 :               0.00011048560292
                   +1 :               0.00003170030153
                3s
                   +0 :              -0.00085935317434
                4s
                   +0 :               0.00011724298164
                3p
                   -1 :              -0.00007638578571
                   +0 :              -0.00038975914787
                   +1 :              -0.00016643360892
                4p
                   -1 :              -0.00007931968555
                   +0 :               0.00006985877971
                   +1 :               0.00003417047445
                3d
                   -2 :              -0.00005330942822
                   -1 :              -0.00009491461753
                   +0 :              -0.00005719426554
                   +1 :               0.00001268517885
                   +2 :              -0.00004415170836
              8 vec=    -7.570358    -10.359920      6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00016863164650
                2p
                   -1 :              -0.00006097258756
                   +0 :               0.00012032125526
                   +1 :              -0.00002161325238
                3s
                   +0 :              -0.00087667322078
                4s
                   +0 :               0.00032918962625
                3p
                   -1 :               0.00057420951611
                   +0 :              -0.00071554593288
                   +1 :               0.00016717524799
                4p
                   -1 :              -0.00017778799760
                   +0 :               0.00014316751775
                   +1 :              -0.00005983530344
                3d
                   -2 :              -0.00008179213351
                   -1 :               0.00007865931583
                   +0 :              -0.00002153534026
                   +1 :              -0.00000599546168
                   +2 :               0.00002986151357
              9 vec=     7.989968    -10.359920      6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00007124787513
                2p
                   -1 :              -0.00001557302117
                   +0 :              -0.00005704284140
                   +1 :               0.00001161015072
                3s
                   +0 :               0.00051054451505
                4s
                   +0 :              -0.00020677650325
                3p
                   -1 :               0.00003941213483
                   +0 :               0.00042529823519
                   +1 :               0.00007959163347
                4p
                   -1 :              -0.00001646623139
                   +0 :              -0.00012588895726
                   +1 :              -0.00006918820267
                3d
                   -2 :              -0.00002627667857
                   -1 :               0.00001732782269
                   +0 :               0.00007999002524
                   +1 :              -0.00003980807726
                   +2 :               0.00002328670390
             10 vec=     0.209805    -14.851799      6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00005168910403
                2p
                   -1 :              -0.00002752245573
                   +0 :               0.00004291712467
                   +1 :              -0.00001488165433
                3s
                   +0 :              -0.00021383684739
                4s
                   +0 :               0.00006590537881
                3p
                   -1 :               0.00016155649744
                   +0 :              -0.00022435577491
                   +1 :               0.00007290503220
                4p
                   -1 :              -0.00004037310668
                   +0 :               0.00003548037514
                   +1 :              -0.00001083798018
                3d
                   -2 :              -0.00008826775510
                   -1 :               0.00004907463661
                   +0 :               0.00000832898858
                   +1 :               0.00001417390859
                   +2 :               0.00002154184803
             11 vec=   -15.350520      3.115717      6.601980   |vec|=   16.998009
                2s
                   +0 :               0.00012846860782
                2p
                   -1 :               0.00002006123521
                   +0 :               0.00003170233306
                   +1 :              -0.00000390032970
                3s
                   +0 :              -0.00059705596391
                4s
                   +0 :               0.00014498271835
                3p
                   -1 :              -0.00008577804024
                   +0 :              -0.00027532565248
                   +1 :               0.00006139074511
                4p
                   -1 :              -0.00000737028393
                   +0 :               0.00005972287163
                   +1 :               0.00000564151008
                3d
                   -2 :               0.00004057752620
                   -1 :              -0.00002115940461
                   +0 :              -0.00003643227316
                   +1 :               0.00003587614594
                   +2 :              -0.00002813221118
             12 vec=    15.770130      3.115717      6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00006752552737
                2p
                   -1 :               0.00001645515024
                   +0 :               0.00004694829994
                   +1 :               0.00005631143044
                3s
                   +0 :              -0.00005866494325
                4s
                   +0 :               0.00005225647019
                3p
                   -1 :              -0.00003345476206
                   +0 :              -0.00015174668323
                   +1 :              -0.00021675886066
                4p
                   -1 :               0.00001496219542
                   +0 :               0.00004797155246
                   +1 :               0.00005741008583
                3d
                   -2 :               0.00002791355945
                   -1 :              -0.00000598300338
                   +0 :              -0.00001092247630
                   +1 :              -0.00004249904531
                   +2 :              -0.00003033869165
             13 vec=   -15.350520     -5.868041      6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00003336599845
                2p
                   -1 :               0.00000789067391
                   +0 :               0.00000011284013
                   +1 :               0.00000531466279
                3s
                   +0 :               0.00013386888830
                4s
                   +0 :               0.00002257298932
                3p
                   -1 :               0.00002669147720
                   +0 :              -0.00017893185511
                   +1 :              -0.00001190845539
                4p
                   -1 :              -0.00004871896659
                   +0 :               0.00004355447782
                   +1 :              -0.00002856766434
                3d
                   -2 :               0.00000237448580
                   -1 :              -0.00001994584415
                   +0 :               0.00003780235614
                   +1 :              -0.00004462357083
                   +2 :               0.00000301604063
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al(  2)  npairs=  15
              1 vec=     0.209805      3.115717    -10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00020349349327
                2p
                   -1 :               0.00027854101646
                   +0 :               0.00001367034149
                   +1 :               0.00007267869909
                3s
                   +0 :               0.00080830876961
                4s
                   +0 :              -0.00011600434046
                3p
                   -1 :              -0.00102840112954
                   +0 :               0.00012658729469
                   +1 :              -0.00093107775455
                4p
                   -1 :               0.00031137506619
                   +0 :              -0.00019012430758
                   +1 :               0.00008408010195
                3d
                   -2 :               0.00021656357482
                   -1 :               0.00011142409530
                   +0 :              -0.00020112892949
                   +1 :               0.00012681821684
                   +2 :              -0.00016002167728
              2 vec=     0.209805     -5.868041    -10.693237   |vec|=   12.199313
                2s
                   +0 :              -0.00041012351789
                2p
                   -1 :               0.00018085185322
                   +0 :               0.00013666296955
                   +1 :              -0.00029297609933
                3s
                   +0 :               0.00108204590109
                4s
                   +0 :              -0.00012067703335
                3p
                   -1 :              -0.00074141001510
                   +0 :              -0.00045448921534
                   +1 :               0.00165117984973
                4p
                   -1 :               0.00009001899634
                   +0 :               0.00000492165574
                   +1 :              -0.00022408775812
                3d
                   -2 :              -0.00020403850306
                   -1 :               0.00013663544472
                   +0 :              -0.00012061969874
                   +1 :              -0.00042961794888
                   +2 :              -0.00002721187669
              3 vec=    -7.570358     -1.376162    -10.693237   |vec|=   13.173817
                2s
                   +0 :               0.00036067324311
                2p
                   -1 :               0.00010370428879
                   +0 :              -0.00009759030171
                   +1 :              -0.00008110469603
                3s
                   +0 :              -0.00210260190232
                4s
                   +0 :               0.00033579322133
                3p
                   -1 :              -0.00042110812447
                   +0 :               0.00109124484197
                   +1 :               0.00092566052187
                4p
                   -1 :               0.00024583579233
                   +0 :              -0.00009448888225
                   +1 :              -0.00008309891423
                3d
                   -2 :               0.00001921429221
                   -1 :               0.00003599329442
                   +0 :              -0.00008752440947
                   +1 :              -0.00029221165707
                   +2 :              -0.00016535025800
              4 vec=     7.989968     -1.376162    -10.693237   |vec|=   13.419341
                2s
                   +0 :               0.00011412166383
                2p
                   -1 :               0.00008696762596
                   +0 :              -0.00009803707557
                   +1 :              -0.00005780957863
                3s
                   +0 :               0.00118094367583
                4s
                   +0 :              -0.00024324030919
                3p
                   -1 :              -0.00067353935792
                   +0 :              -0.00068393086894
                   +1 :               0.00108847492220
                4p
                   -1 :              -0.00001283878275
                   +0 :               0.00015603001766
                   +1 :              -0.00020432041266
                3d
                   -2 :              -0.00018182764584
                   -1 :               0.00032553847491
                   +0 :               0.00021947223380
                   +1 :              -0.00020157323792
                   +2 :               0.00015962309871
              5 vec=     0.209805      3.115717     13.854306   |vec|=   14.201883
                2s
                   +0 :               0.00006108349077
                2p
                   -1 :              -0.00001784503326
                   +0 :               0.00005908418044
                   +1 :               0.00004619588985
                3s
                   +0 :              -0.00023749067094
                4s
                   +0 :               0.00005743395613
                3p
                   -1 :               0.00016366524648
                   +0 :              -0.00031719564332
                   +1 :              -0.00019621964926
                4p
                   -1 :              -0.00006903302775
                   +0 :               0.00008439973238
                   +1 :               0.00004176317214
                3d
                   -2 :               0.00000653109344
                   -1 :               0.00004336631531
                   +0 :              -0.00002343667163
                   +1 :               0.00006100255745
                   +2 :               0.00005727474331
              6 vec=     0.209805     -5.868041     13.854306   |vec|=   15.047249
                2s
                   +0 :               0.00001020440727
                2p
                   -1 :               0.00007970178084
                   +0 :               0.00004244165088
                   +1 :              -0.00002371524548
                3s
                   +0 :              -0.00007962321357
                4s
                   +0 :               0.00002403368101
                3p
                   -1 :              -0.00036022836413
                   +0 :              -0.00025914722147
                   +1 :               0.00008839667180
                4p
                   -1 :               0.00006685901511
                   +0 :               0.00006745133648
                   +1 :              -0.00001360984446
                3d
                   -2 :               0.00002889734221
                   -1 :               0.00003357596970
                   +0 :              -0.00004616087706
                   +1 :              -0.00001283271994
                   +2 :              -0.00002059743984
              7 vec=    -7.570358      7.607596    -10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00008538180641
                2p
                   -1 :              -0.00001507021708
                   +0 :              -0.00000724110922
                   +1 :              -0.00007072329646
                3s
                   +0 :              -0.00069148439782
                4s
                   +0 :               0.00017368688706
                3p
                   -1 :              -0.00014811609470
                   +0 :               0.00019516103323
                   +1 :               0.00036283189720
                4p
                   -1 :               0.00000952578600
                   +0 :              -0.00003917702404
                   +1 :              -0.00010873988133
                3d
                   -2 :               0.00003229599144
                   -1 :               0.00003703083088
                   +0 :              -0.00002077578443
                   +1 :              -0.00002064789947
                   +2 :               0.00005637783087
              8 vec=     7.989968      7.607596    -10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00004819005433
                2p
                   -1 :               0.00000874510798
                   +0 :              -0.00005074379086
                   +1 :               0.00000046384876
                3s
                   +0 :               0.00021325384255
                4s
                   +0 :              -0.00002855639092
                3p
                   -1 :               0.00012945781573
                   +0 :               0.00019130752072
                   +1 :               0.00009610922166
                4p
                   -1 :              -0.00006126838824
                   +0 :              -0.00006016468781
                   +1 :              -0.00004559363127
                3d
                   -2 :               0.00000216433216
                   -1 :              -0.00000505890866
                   +0 :              -0.00001836788011
                   +1 :               0.00002174288939
                   +2 :              -0.00003784430702
              9 vec=    -7.570358     -1.376162     13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00010209075152
                2p
                   -1 :               0.00000520031499
                   +0 :              -0.00000106943458
                   +1 :               0.00001142952104
                3s
                   +0 :               0.00040988154926
                4s
                   +0 :              -0.00005907390287
                3p
                   -1 :              -0.00000074658142
                   +0 :               0.00003385393815
                   +1 :              -0.00005054249841
                4p
                   -1 :              -0.00000922011857
                   +0 :               0.00002096097104
                   +1 :              -0.00001191978080
                3d
                   -2 :               0.00003052701879
                   -1 :              -0.00000121745078
                   +0 :              -0.00002843455456
                   +1 :               0.00004798500010
                   +2 :               0.00002927348791
             10 vec=     7.989968     -1.376162     13.854306   |vec|=   16.052264
                2s
                   +0 :               0.00003442489824
                2p
                   -1 :              -0.00000045484718
                   +0 :               0.00002244497133
                   +1 :              -0.00000372926591
                3s
                   +0 :              -0.00014380048270
                4s
                   +0 :               0.00000270603449
                3p
                   -1 :              -0.00004218146301
                   +0 :              -0.00009813893014
                   +1 :              -0.00001177036573
                4p
                   -1 :               0.00001764191585
                   +0 :               0.00000936854207
                   +1 :               0.00000404823379
                3d
                   -2 :              -0.00000449193952
                   -1 :              -0.00003365831613
                   +0 :               0.00001464919928
                   +1 :              -0.00002099347981
                   +2 :               0.00003688419940
             11 vec=     0.209805     12.099475    -10.693237   |vec|=   16.148889
                2s
                   +0 :              -0.00006800831220
                2p
                   -1 :              -0.00002387838622
                   +0 :               0.00005023363743
                   +1 :               0.00001616944492
                3s
                   +0 :               0.00029385460930
                4s
                   +0 :              -0.00010982635614
                3p
                   -1 :               0.00011935500470
                   +0 :              -0.00026201093116
                   +1 :              -0.00008793648426
                4p
                   -1 :              -0.00002316362504
                   +0 :               0.00008236517614
                   +1 :               0.00003192057160
                3d
                   -2 :              -0.00000337558078
                   -1 :              -0.00006384924591
                   +0 :               0.00004937758581
                   +1 :               0.00001028274847
                   +2 :              -0.00000007771379
             12 vec=    -7.570358    -10.359920    -10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00004222779006
                2p
                   -1 :               0.00004307553527
                   +0 :               0.00006459104766
                   +1 :               0.00001229967854
                3s
                   +0 :               0.00008738188131
                4s
                   +0 :              -0.00011758350084
                3p
                   -1 :              -0.00022115834348
                   +0 :              -0.00031797955139
                   +1 :              -0.00001240256053
                4p
                   -1 :               0.00007710148545
                   +0 :               0.00011430688281
                   +1 :               0.00002081306733
                3d
                   -2 :              -0.00001602674211
                   -1 :               0.00006403047211
                   +0 :               0.00009528227029
                   +1 :               0.00000907256043
                   +2 :              -0.00009675813465
             13 vec=     7.989968    -10.359920    -10.693237   |vec|=   16.897125
                2s
                   +0 :              -0.00005603538869
                2p
                   -1 :              -0.00003813520233
                   +0 :               0.00001427471883
                   +1 :              -0.00002014417966
                3s
                   +0 :               0.00025397125269
                4s
                   +0 :              -0.00002902558218
                3p
                   -1 :               0.00027643604075
                   +0 :              -0.00010731978778
                   +1 :               0.00012402552054
                4p
                   -1 :              -0.00012862485237
                   +0 :               0.00000707692931
                   +1 :              -0.00002454962612
                3d
                   -2 :               0.00002421619814
                   -1 :              -0.00001357845948
                   +0 :               0.00004573866712
                   +1 :               0.00001217813269
                   +2 :               0.00006314505729
             14 vec=    -7.570358      7.607596     13.854306   |vec|=   17.525057
                2s
                   +0 :               0.00001051509779
                2p
                   -1 :              -0.00000978004074
                   +0 :               0.00001284685138
                   +1 :              -0.00001443899121
                3s
                   +0 :              -0.00005409263548
                4s
                   +0 :               0.00002618313648
                3p
                   -1 :               0.00003590767016
                   +0 :              -0.00012708270340
                   +1 :               0.00009323126806
                4p
                   -1 :              -0.00000592885266
                   +0 :               0.00004349381967
                   +1 :               0.00000427307994
                3d
                   -2 :               0.00001474758774
                   -1 :               0.00000845892373
                   +0 :              -0.00000449889132
                   +1 :               0.00002626443154
                   +2 :              -0.00001888580000
             15 vec=     7.989968      7.607596     13.854306   |vec|=   17.710361
                2s
                   +0 :              -0.00002939688820
                2p
                   -1 :              -0.00002451314536
                   +0 :               0.00000922566785
                   +1 :              -0.00001945718950
                3s
                   +0 :              -0.00001729285024
                4s
                   +0 :              -0.00002173731422
                3p
                   -1 :               0.00011755649932
                   +0 :              -0.00007819443009
                   +1 :               0.00002610010695
                4p
                   -1 :              -0.00002764665620
                   +0 :               0.00003087887857
                   +1 :              -0.00001374518846
                3d
                   -2 :               0.00002464458220
                   -1 :               0.00002147179662
                   +0 :              -0.00001753229838
                   +1 :              -0.00000259955438
                   +2 :              -0.00002542602795
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Cr(  3)  npairs=  14
              1 vec=     0.209805      3.115717      1.580534   |vec|=    3.499971
                3s
                   +0 :              -0.00526666288935
                3p
                   -1 :              -0.00821049439866
                   +0 :              -0.00446247638501
                   +1 :               0.02228786668486
                4s
                   +0 :              -0.00907184822280
                5s
                   +0 :               0.00090395004202
                3d
                   -2 :               0.04046215515741
                   -1 :              -0.00528270704937
                   +0 :              -0.00118700980183
                   +1 :               0.01966016469995
                   +2 :               0.00454483130043
                4d
                   -2 :               0.00615586921871
                   -1 :              -0.00242176196505
                   +0 :               0.00086011196242
                   +1 :               0.00341755847409
                   +2 :               0.00330384646725
                4p
                   -1 :              -0.00745295180943
                   +0 :              -0.00109929596627
                   +1 :               0.01846835129666
              2 vec=     0.209805     -5.868041      1.580534   |vec|=    6.080790
                3s
                   +0 :              -0.00082721267432
                3p
                   -1 :               0.00237288236190
                   +0 :               0.00043048392668
                   +1 :              -0.00091802702612
                4s
                   +0 :               0.00234120093332
                5s
                   +0 :              -0.00040961711293
                3d
                   -2 :               0.00401594871245
                   -1 :               0.00109479489084
                   +0 :               0.00094731351855
                   +1 :               0.00326109306328
                   +2 :               0.00409923920569
                4d
                   -2 :               0.00001820248662
                   -1 :               0.00094818001458
                   +0 :              -0.00030045243974
                   +1 :              -0.00063508098238
                   +2 :               0.00005500463016
                4p
                   -1 :              -0.00147604936401
                   +0 :              -0.00196711096898
                   +1 :              -0.00069993996322
              3 vec=    -7.570358     -1.376162      1.580534   |vec|=    7.855076
                3s
                   +0 :               0.00166642580754
                3p
                   -1 :              -0.00068497517646
                   +0 :               0.00053960733886
                   +1 :               0.00106463259719
                4s
                   +0 :               0.00492750012950
                5s
                   +0 :              -0.00014278566104
                3d
                   -2 :               0.00368996455523
                   -1 :              -0.00507059959397
                   +0 :               0.00274795274390
                   +1 :              -0.00200928350011
                   +2 :              -0.00460858626581
                4d
                   -2 :               0.00119935008891
                   -1 :               0.00019385103579
                   +0 :               0.00009410827711
                   +1 :              -0.00152263194156
                   +2 :              -0.00061398406414
                4p
                   -1 :              -0.00273144304947
                   +0 :               0.00336016440111
                   +1 :              -0.00041999690130
              4 vec=     7.989968     -1.376162      1.580534   |vec|=    8.260236
                3s
                   +0 :              -0.00082719962735
                3p
                   -1 :              -0.00009432098847
                   +0 :              -0.00038949636748
                   +1 :              -0.00116231748464
                4s
                   +0 :              -0.00261505846635
                5s
                   +0 :               0.00037479548289
                3d
                   -2 :               0.00318467410053
                   -1 :               0.00230457203317
                   +0 :              -0.00012164380461
                   +1 :              -0.00196771384055
                   +2 :               0.00266232131590
                4d
                   -2 :              -0.00003188612934
                   -1 :               0.00160666467279
                   +0 :              -0.00084666514395
                   +1 :               0.00038703754666
                   +2 :               0.00229256931680
                4p
                   -1 :               0.00334137396771
                   +0 :              -0.00195710480168
                   +1 :               0.00347769703131
              5 vec=    -7.570358      7.607596      1.580534   |vec|=   10.848222
                3s
                   +0 :               0.00013335778782
                3p
                   -1 :              -0.00001038192741
                   +0 :              -0.00015025585001
                   +1 :              -0.00030565865135
                4s
                   +0 :               0.00087942942381
                5s
                   +0 :              -0.00004524207034
                3d
                   -2 :               0.00044576352245
                   -1 :               0.00091578051952
                   +0 :               0.00033024783683
                   +1 :               0.00065314189444
                   +2 :              -0.00027515093881
                4d
                   -2 :               0.00003433792062
                   -1 :               0.00027757652363
                   +0 :              -0.00004884954229
                   +1 :              -0.00012975212212
                   +2 :              -0.00036222363389
                4p
                   -1 :               0.00098518488793
                   +0 :               0.00068602808062
                   +1 :               0.00060228780532
              6 vec=     7.989968      7.607596      1.580534   |vec|=   11.145097
                3s
                   +0 :               0.00041089813045
                3p
                   -1 :              -0.00027870117910
                   +0 :              -0.00026980970586
                   +1 :               0.00013787531833
                4s
                   +0 :              -0.00219858025109
                5s
                   +0 :               0.00010936859222
                3d
                   -2 :               0.00008153251736
                   -1 :              -0.00143631749757
                   +0 :              -0.00018132777000
                   +1 :              -0.00000022484875
                   +2 :               0.00068406520329
                4d
                   -2 :              -0.00008366173817
                   -1 :              -0.00020461603155
                   +0 :              -0.00005834147787
                   +1 :               0.00002613351347
                   +2 :              -0.00009396291131
                4p
                   -1 :              -0.00071771826595
                   +0 :              -0.00020602545873
                   +1 :              -0.00043440072184
              7 vec=     0.209805     12.099475      1.580534   |vec|=   12.204073
                3s
                   +0 :               0.00053658655011
                3p
                   -1 :               0.00041783571434
                   +0 :               0.00030923255820
                   +1 :              -0.00000266705709
                4s
                   +0 :              -0.00080079188731
                5s
                   +0 :               0.00001570336284
                3d
                   -2 :               0.00001316248659
                   -1 :               0.00044567564421
                   +0 :               0.00004367280044
                   +1 :               0.00011738727315
                   +2 :              -0.00017236177128
                4d
                   -2 :              -0.00012579498532
                   -1 :              -0.00036682538351
                   +0 :               0.00003544564294
                   +1 :               0.00005129429405
                   +2 :               0.00029085995882
                4p
                   -1 :              -0.00065294307905
                   +0 :              -0.00053743232995
                   +1 :              -0.00001943374551
              8 vec=    -7.570358    -10.359920      1.580534   |vec|=   12.928122
                3s
                   +0 :              -0.00012364187796
                3p
                   -1 :              -0.00005461614091
                   +0 :               0.00028070373788
                   +1 :              -0.00032320782596
                4s
                   +0 :               0.00094394210303
                5s
                   +0 :               0.00000632246530
                3d
                   -2 :               0.00003999803838
                   -1 :              -0.00010048419815
                   +0 :               0.00010344978856
                   +1 :              -0.00089532014159
                   +2 :               0.00077006210638
                4d
                   -2 :              -0.00022423542997
                   -1 :               0.00003642740809
                   +0 :               0.00006348546377
                   +1 :              -0.00018725957305
                   +2 :               0.00002278927817
                4p
                   -1 :               0.00004210582941
                   +0 :               0.00013258834995
                   +1 :              -0.00008693308586
              9 vec=     7.989968    -10.359920      1.580534   |vec|=   13.178225
                3s
                   +0 :               0.00035364584545
                3p
                   -1 :              -0.00010112436617
                   +0 :              -0.00011852857760
                   +1 :              -0.00018762294099
                4s
                   +0 :              -0.00177406678054
                5s
                   +0 :               0.00003224193513
                3d
                   -2 :               0.00013467581083
                   -1 :               0.00007581027027
                   +0 :              -0.00029102052826
                   +1 :              -0.00090399514160
                   +2 :              -0.00075668489086
                4d
                   -2 :               0.00018084383311
                   -1 :               0.00048164418184
                   +0 :              -0.00012050705009
                   +1 :              -0.00054430422308
                   +2 :              -0.00014651188408
                4p
                   -1 :               0.00052893640055
                   +0 :              -0.00056332206044
                   +1 :              -0.00056713226893
             10 vec=     0.209805    -14.851799      1.580534   |vec|=   14.937136
                3s
                   +0 :              -0.00005531556067
                3p
                   -1 :              -0.00000261536439
                   +0 :               0.00002610085045
                   +1 :               0.00003350322569
                4s
                   +0 :               0.00020092915096
                5s
                   +0 :              -0.00003749419710
                3d
                   -2 :              -0.00021586330367
                   -1 :              -0.00013028278901
                   +0 :               0.00001719828240
                   +1 :               0.00039034807418
                   +2 :              -0.00005238157304
                4d
                   -2 :              -0.00000407263485
                   -1 :               0.00004071286769
                   +0 :              -0.00001267536620
                   +1 :               0.00006538005164
                   +2 :              -0.00001676156199
                4p
                   -1 :              -0.00005193476509
                   +0 :              -0.00002471107189
                   +1 :               0.00014460067700
             11 vec=   -15.350520      3.115717      1.580534   |vec|=   15.743070
                3s
                   +0 :              -0.00011230021488
                3p
                   -1 :              -0.00000437565418
                   +0 :              -0.00002074487643
                   +1 :               0.00003268784805
                4s
                   +0 :               0.00038119033860
                5s
                   +0 :              -0.00003573620309
                3d
                   -2 :               0.00002547537202
                   -1 :              -0.00008784181129
                   +0 :              -0.00002644317672
                   +1 :              -0.00015149660045
                   +2 :               0.00018408328667
                4d
                   -2 :              -0.00006000751250
                   -1 :               0.00001949460974
                   +0 :              -0.00001065217500
                   +1 :              -0.00009266560997
                   +2 :              -0.00007994254997
                4p
                   -1 :               0.00002073315503
                   +0 :               0.00017198188343
                   +1 :              -0.00011726531372
             12 vec=    15.770130      3.115717      1.580534   |vec|=   16.152486
                3s
                   +0 :               0.00000313875259
                3p
                   -1 :              -0.00007384710283
                   +0 :               0.00002340183516
                   +1 :               0.00007808946797
                4s
                   +0 :              -0.00010019054147
                5s
                   +0 :              -0.00003529617000
                3d
                   -2 :              -0.00003168061053
                   -1 :               0.00001893994161
                   +0 :              -0.00000604673690
                   +1 :               0.00003095436316
                   +2 :               0.00005924443574
                4d
                   -2 :               0.00012866644734
                   -1 :               0.00004623276565
                   +0 :               0.00001013103999
                   +1 :              -0.00012014474891
                   +2 :              -0.00007115109679
                4p
                   -1 :               0.00017895590085
                   +0 :              -0.00012060265244
                   +1 :              -0.00014437594574
             13 vec=   -15.350520     -5.868041      1.580534   |vec|=   16.509708
                3s
                   +0 :              -0.00017119599454
                3p
                   -1 :               0.00004080638748
                   +0 :              -0.00003073244634
                   +1 :               0.00004839082509
                4s
                   +0 :               0.00032795585175
                5s
                   +0 :               0.00000005204291
                3d
                   -2 :               0.00010924965205
                   -1 :              -0.00008985603211
                   +0 :               0.00002311785778
                   +1 :              -0.00006663566934
                   +2 :               0.00009041185469
                4d
                   -2 :               0.00000476859359
                   -1 :              -0.00009119297938
                   +0 :               0.00001797646407
                   +1 :              -0.00010576488459
                   +2 :               0.00003646054016
                4p
                   -1 :              -0.00008046205340
                   +0 :               0.00016103843804
                   +1 :              -0.00010842261441
             14 vec=    15.770130     -5.868041      1.580534   |vec|=   16.900562
                3s
                   +0 :              -0.00004508459481
                3p
                   -1 :               0.00007085526124
                   +0 :              -0.00009106137494
                   +1 :              -0.00004274841279
                4s
                   +0 :              -0.00010466727644
                5s
                   +0 :               0.00005030961336
                3d
                   -2 :               0.00016366013046
                   -1 :               0.00017497591879
                   +0 :              -0.00004360279610
                   +1 :              -0.00025764195978
                   +2 :              -0.00010139515171
                4d
                   -2 :              -0.00000132290343
                   -1 :              -0.00002087565120
                   +0 :               0.00002059318000
                   +1 :               0.00003642267211
                   +2 :              -0.00000876851406
                4p
                   -1 :              -0.00006080390988
                   +0 :               0.00009067708803
                   +1 :              -0.00002854111100
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al(  4)  npairs=  14
              1 vec=     0.209805      3.115717     -5.671791   |vec|=    6.474637
                2s
                   +0 :               0.00012814205807
                2p
                   -1 :               0.00001790881396
                   +0 :              -0.00032333941581
                   +1 :               0.00098533606993
                3s
                   +0 :              -0.00071128476465
                4s
                   +0 :               0.00167141424712
                3p
                   -1 :              -0.00129265209316
                   +0 :               0.00305928066536
                   +1 :              -0.00542318116878
                4p
                   -1 :               0.00121935904609
                   +0 :              -0.00120595858582
                   +1 :               0.00124446996315
                3d
                   -2 :               0.00139329821045
                   -1 :               0.00032235375682
                   +0 :              -0.00020154076815
                   +1 :              -0.00180185385515
                   +2 :               0.00076955977563
              2 vec=     0.209805     -5.868041     -5.671791   |vec|=    8.163770
                2s
                   +0 :               0.00041524428146
                2p
                   -1 :               0.00004593278087
                   +0 :              -0.00062165367564
                   +1 :              -0.00080715228882
                3s
                   +0 :               0.00043141674690
                4s
                   +0 :              -0.00094590354451
                3p
                   -1 :              -0.00191323625313
                   +0 :               0.00354852365807
                   +1 :               0.00621371502822
                4p
                   -1 :               0.00049043572188
                   +0 :              -0.00077654039655
                   +1 :              -0.00145703807722
                3d
                   -2 :              -0.00175997225485
                   -1 :              -0.00075912392792
                   +0 :              -0.00060750300965
                   +1 :              -0.00122719162150
                   +2 :              -0.00045215581979
              3 vec=    -7.570358     -1.376162     -5.671791   |vec|=    9.558941
                2s
                   +0 :              -0.00066353296636
                2p
                   -1 :              -0.00095181965084
                   +0 :               0.00049620503582
                   +1 :              -0.00009407602011
                3s
                   +0 :               0.00060513288980
                4s
                   +0 :               0.00004024534321
                3p
                   -1 :               0.00535700115049
                   +0 :              -0.00139052604389
                   +1 :               0.00089078651854
                4p
                   -1 :              -0.00128840524131
                   +0 :               0.00030422965033
                   +1 :              -0.00041349078666
                3d
                   -2 :              -0.00048612684108
                   -1 :              -0.00077304716670
                   +0 :              -0.00031570494566
                   +1 :              -0.00021474919514
                   +2 :              -0.00044410124065
              4 vec=     7.989968     -1.376162     -5.671791   |vec|=    9.894576
                2s
                   +0 :               0.00231324960857
                2p
                   -1 :               0.00143753832837
                   +0 :               0.00010336246063
                   +1 :               0.00121709262912
                3s
                   +0 :              -0.00592502561053
                4s
                   +0 :               0.00162317256669
                3p
                   -1 :              -0.00679396207035
                   +0 :              -0.00199205052693
                   +1 :              -0.00488800369689
                4p
                   -1 :               0.00132965520197
                   +0 :               0.00122988158175
                   +1 :               0.00094515847498
                3d
                   -2 :              -0.00131174454928
                   -1 :               0.00077998388602
                   +0 :               0.00080429766585
                   +1 :              -0.00006375936297
                   +2 :              -0.00018884757859
              5 vec=    -7.570358      7.607596     -5.671791   |vec|=   12.138989
                2s
                   +0 :              -0.00016345941173
                2p
                   -1 :              -0.00015603250239
                   +0 :               0.00016431325344
                   +1 :               0.00017301430067
                3s
                   +0 :              -0.00059134062509
                4s
                   +0 :              -0.00042081693430
                3p
                   -1 :               0.00064555640997
                   +0 :              -0.00008490295205
                   +1 :              -0.00008039040646
                4p
                   -1 :              -0.00038245007290
                   +0 :               0.00007992323209
                   +1 :               0.00030055686196
                3d
                   -2 :               0.00000821827521
                   -1 :              -0.00006633536832
                   +0 :               0.00001411984286
                   +1 :              -0.00002064715824
                   +2 :              -0.00018674004330
              6 vec=     7.989968      7.607596     -5.671791   |vec|=   12.405012
                2s
                   +0 :               0.00003805267338
                2p
                   -1 :               0.00014042471651
                   +0 :              -0.00006115190539
                   +1 :               0.00014038617952
                3s
                   +0 :               0.00117702059845
                4s
                   +0 :              -0.00000040908113
                3p
                   -1 :              -0.00060743328954
                   +0 :              -0.00013282292105
                   +1 :               0.00046481958733
                4p
                   -1 :               0.00012539943999
                   +0 :               0.00008884516810
                   +1 :               0.00004697696002
                3d
                   -2 :              -0.00027851868464
                   -1 :               0.00025569403306
                   +0 :              -0.00011690448722
                   +1 :               0.00001817948893
                   +2 :               0.00034519108822
              7 vec=     0.209805     12.099475     -5.671791   |vec|=   13.364525
                2s
                   +0 :               0.00003353608280
                2p
                   -1 :              -0.00001025064426
                   +0 :              -0.00006211149022
                   +1 :              -0.00000118591547
                3s
                   +0 :              -0.00000744413571
                4s
                   +0 :              -0.00002257098906
                3p
                   -1 :               0.00012703329127
                   +0 :               0.00013822183649
                   +1 :              -0.00008283521818
                4p
                   -1 :              -0.00005511946772
                   +0 :               0.00004040381877
                   +1 :              -0.00001121637825
                3d
                   -2 :              -0.00009558188598
                   -1 :               0.00002930551781
                   +0 :               0.00003061571901
                   +1 :               0.00003036160178
                   +2 :              -0.00007210285035
              8 vec=    -7.570358    -10.359920     -5.671791   |vec|=   14.028809
                2s
                   +0 :              -0.00042096918469
                2p
                   -1 :               0.00019811011190
                   +0 :               0.00009965403936
                   +1 :              -0.00004983989363
                3s
                   +0 :               0.00086397983461
                4s
                   +0 :              -0.00014081060239
                3p
                   -1 :              -0.00053116908996
                   +0 :              -0.00042656254140
                   +1 :               0.00033109637787
                4p
                   -1 :               0.00001901384417
                   +0 :               0.00013267758147
                   +1 :              -0.00014148703435
                3d
                   -2 :              -0.00001760271440
                   -1 :               0.00023163655544
                   +0 :              -0.00001590744703
                   +1 :              -0.00006554848672
                   +2 :              -0.00011140782231
              9 vec=     7.989968    -10.359920     -5.671791   |vec|=   14.259619
                2s
                   +0 :              -0.00000058250733
                2p
                   -1 :              -0.00000770778891
                   +0 :              -0.00004800393152
                   +1 :               0.00010802997364
                3s
                   +0 :              -0.00019468054433
                4s
                   +0 :               0.00018417740253
                3p
                   -1 :               0.00014301099291
                   +0 :               0.00019540982647
                   +1 :              -0.00073050702374
                4p
                   -1 :              -0.00009999384141
                   +0 :              -0.00008172939132
                   +1 :               0.00022216655421
                3d
                   -2 :              -0.00000414121001
                   -1 :               0.00002957088279
                   +0 :               0.00009178156512
                   +1 :               0.00008502263295
                   +2 :              -0.00005750333817
             10 vec=     0.209805    -14.851799     -5.671791   |vec|=   15.899345
                2s
                   +0 :               0.00006700109042
                2p
                   -1 :              -0.00004494254223
                   +0 :              -0.00003675117162
                   +1 :               0.00001218956144
                3s
                   +0 :              -0.00027685347120
                4s
                   +0 :               0.00001551273105
                3p
                   -1 :               0.00029405770563
                   +0 :               0.00018082278274
                   +1 :              -0.00004622266945
                4p
                   -1 :              -0.00003850313790
                   +0 :              -0.00003912912133
                   +1 :               0.00002792334627
                3d
                   -2 :              -0.00002312473439
                   -1 :              -0.00002457723145
                   +0 :               0.00005285955275
                   +1 :               0.00003096450869
                   +2 :               0.00007748475082
             11 vec=   -15.350520      3.115717     -5.671791   |vec|=   16.658793
                2s
                   +0 :               0.00004888267138
                2p
                   -1 :               0.00001690401254
                   +0 :               0.00002077830377
                   +1 :               0.00002117611652
                3s
                   +0 :              -0.00069846061735
                4s
                   +0 :               0.00007885077869
                3p
                   -1 :              -0.00030106913638
                   +0 :              -0.00003721732273
                   +1 :               0.00012664914044
                4p
                   -1 :               0.00004005417367
                   +0 :              -0.00001237734746
                   +1 :               0.00001230149797
                3d
                   -2 :               0.00004660538260
                   -1 :               0.00001705917491
                   +0 :               0.00004077033764
                   +1 :               0.00006947801920
                   +2 :               0.00005507267407
             12 vec=    15.770130      3.115717     -5.671791   |vec|=   17.046229
                2s
                   +0 :               0.00011868090729
                2p
                   -1 :               0.00006608763375
                   +0 :              -0.00002546191844
                   +1 :               0.00010342080312
                3s
                   +0 :              -0.00003799040236
                4s
                   +0 :               0.00015502475882
                3p
                   -1 :              -0.00022882344661
                   +0 :               0.00004227043135
                   +1 :              -0.00037366185067
                4p
                   -1 :               0.00005922852014
                   +0 :              -0.00000149960754
                   +1 :               0.00014415343354
                3d
                   -2 :              -0.00005967486482
                   -1 :               0.00005458421036
                   +0 :               0.00000038305053
                   +1 :               0.00009230116289
                   +2 :              -0.00003509312548
             13 vec=   -15.350520     -5.868041     -5.671791   |vec|=   17.385097
                2s
                   +0 :               0.00003122689090
                2p
                   -1 :               0.00001815023522
                   +0 :               0.00002015232746
                   +1 :              -0.00002973888229
                3s
                   +0 :              -0.00023666196736
                4s
                   +0 :               0.00005732645935
                3p
                   -1 :              -0.00009689019137
                   +0 :              -0.00001879591943
                   +1 :               0.00016468346084
                4p
                   -1 :               0.00002756170395
                   +0 :              -0.00001717707807
                   +1 :              -0.00004606489151
                3d
                   -2 :               0.00000401628645
                   -1 :               0.00002319687305
                   +0 :              -0.00002939795215
                   +1 :              -0.00001351110371
                   +2 :              -0.00002289423354
             14 vec=    15.770130     -5.868041     -5.671791   |vec|=   17.756693
                2s
                   +0 :              -0.00003863846602
                2p
                   -1 :              -0.00000793276741
                   +0 :               0.00002180550755
                   +1 :              -0.00000729834338
                3s
                   +0 :               0.00028510995522
                4s
                   +0 :              -0.00007094822972
                3p
                   -1 :               0.00005293596810
                   +0 :              -0.00004229272868
                   +1 :               0.00010539968415
                4p
                   -1 :              -0.00003507894866
                   +0 :              -0.00002556898428
                   +1 :              -0.00003408742333
                3d
                   -2 :               0.00000946983628
                   -1 :               0.00003144971317
                   +0 :              -0.00000697762850
                   +1 :               0.00000488654051
                   +2 :              -0.00005161820019
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al(  5)  npairs=  13
              1 vec=    -2.383582     -1.376162     -9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00022951751482
                2p
                   -1 :              -0.00023772186113
                   +0 :              -0.00012667301563
                   +1 :              -0.00002155771464
                3s
                   +0 :               0.00008132460077
                4s
                   +0 :              -0.00011081191433
                3p
                   -1 :               0.00076528751823
                   +0 :               0.00013027604610
                   +1 :              -0.00089836666202
                4p
                   -1 :              -0.00038357600475
                   +0 :               0.00003366593501
                   +1 :               0.00010717942244
                3d
                   -2 :              -0.00053298866890
                   -1 :               0.00007682909035
                   +0 :               0.00004256780906
                   +1 :               0.00017216274797
                   +2 :               0.00013686315555
              2 vec=     5.396580      3.115717     -9.763130   |vec|=   11.582292
                2s
                   +0 :              -0.00041662882953
                2p
                   -1 :              -0.00038201671639
                   +0 :               0.00017688515656
                   +1 :               0.00000990740703
                3s
                   +0 :               0.00178701098972
                4s
                   +0 :              -0.00077251545576
                3p
                   -1 :               0.00167117562038
                   +0 :              -0.00139043211654
                   +1 :               0.00018970894231
                4p
                   -1 :              -0.00029367889315
                   +0 :               0.00057282619098
                   +1 :              -0.00018997703977
                3d
                   -2 :               0.00010575755296
                   -1 :              -0.00039411999428
                   +0 :               0.00023495548543
                   +1 :              -0.00002591882467
                   +2 :              -0.00026940200756
              3 vec=    -2.383582      7.607596     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00000374998137
                2p
                   -1 :              -0.00007503886476
                   +0 :              -0.00004301551085
                   +1 :              -0.00002293430276
                3s
                   +0 :              -0.00123869322827
                4s
                   +0 :               0.00003044242970
                3p
                   -1 :              -0.00088160667262
                   +0 :               0.00055721290510
                   +1 :               0.00036820242842
                4p
                   -1 :              -0.00002426930981
                   +0 :              -0.00007847471697
                   +1 :              -0.00006310820643
                3d
                   -2 :               0.00008189036818
                   -1 :               0.00032518882710
                   +0 :               0.00014805632122
                   +1 :              -0.00010582292129
                   +2 :               0.00040282003283
              4 vec=     5.396580     -5.868041     -9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00005489432407
                2p
                   -1 :              -0.00012100705546
                   +0 :              -0.00008992818207
                   +1 :               0.00026851704363
                3s
                   +0 :              -0.00032541407797
                4s
                   +0 :               0.00022725123308
                3p
                   -1 :               0.00081737492252
                   +0 :               0.00057530450898
                   +1 :              -0.00118658068521
                4p
                   -1 :              -0.00029853493084
                   +0 :              -0.00034131836178
                   +1 :               0.00017241304781
                3d
                   -2 :               0.00007705467347
                   -1 :              -0.00017980557512
                   +0 :               0.00005037645567
                   +1 :               0.00010020265976
                   +2 :               0.00012921519724
              5 vec=   -10.163745      3.115717     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00003978509174
                2p
                   -1 :               0.00009519010327
                   +0 :              -0.00002824800385
                   +1 :              -0.00007201645763
                3s
                   +0 :              -0.00060010770223
                4s
                   +0 :               0.00023865902032
                3p
                   -1 :              -0.00039015763347
                   +0 :               0.00031655254891
                   +1 :               0.00051191626377
                4p
                   -1 :               0.00015587819034
                   +0 :              -0.00013097293228
                   +1 :              -0.00016420514576
                3d
                   -2 :               0.00010020944684
                   -1 :               0.00012580083975
                   +0 :              -0.00003954307299
                   +1 :              -0.00003152358866
                   +2 :              -0.00001301016205
              6 vec=    -2.383582    -10.359920     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00014505454312
                2p
                   -1 :               0.00003416402296
                   +0 :              -0.00003420196626
                   +1 :               0.00009069271190
                3s
                   +0 :              -0.00040940526607
                4s
                   +0 :               0.00008800991482
                3p
                   -1 :              -0.00034716296143
                   +0 :               0.00007817051811
                   +1 :              -0.00048525841628
                4p
                   -1 :               0.00012645978490
                   +0 :               0.00000149014189
                   +1 :               0.00005216506127
                3d
                   -2 :               0.00014900064706
                   -1 :               0.00008786890174
                   +0 :              -0.00001583015867
                   +1 :               0.00014718227216
                   +2 :              -0.00019077304942
              7 vec=    -2.383582     -1.376162     14.784412   |vec|=   15.038422
                2s
                   +0 :              -0.00005704267692
                2p
                   -1 :              -0.00002803154117
                   +0 :              -0.00000531521088
                   +1 :              -0.00002999879085
                3s
                   +0 :               0.00017227351755
                4s
                   +0 :              -0.00000863299555
                3p
                   -1 :               0.00006502851123
                   +0 :              -0.00000234514972
                   +1 :               0.00021373051089
                4p
                   -1 :               0.00001762527456
                   +0 :               0.00001988638151
                   +1 :              -0.00004676081509
                3d
                   -2 :              -0.00008330347198
                   -1 :              -0.00001458203154
                   +0 :              -0.00005220572142
                   +1 :               0.00005941872955
                   +2 :               0.00006404438347
              8 vec=   -10.163745     -5.868041     -9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00029837579567
                2p
                   -1 :               0.00016104615930
                   +0 :               0.00015282678904
                   +1 :               0.00011379312783
                3s
                   +0 :               0.00089180643662
                4s
                   +0 :              -0.00022139345740
                3p
                   -1 :              -0.00095256318243
                   +0 :              -0.00067676578508
                   +1 :              -0.00051037866892
                4p
                   -1 :               0.00026565006451
                   +0 :               0.00013283988484
                   +1 :               0.00006068977800
                3d
                   -2 :               0.00020730045355
                   -1 :               0.00017428016434
                   +0 :              -0.00000497163847
                   +1 :               0.00023567389586
                   +2 :               0.00006128945318
              9 vec=     5.396580      3.115717     14.784412   |vec|=   16.043990
                2s
                   +0 :              -0.00009812675480
                2p
                   -1 :              -0.00001247743977
                   +0 :              -0.00003093684829
                   +1 :              -0.00001693697728
                3s
                   +0 :               0.00026964581371
                4s
                   +0 :              -0.00008202080541
                3p
                   -1 :               0.00003668914628
                   +0 :               0.00014394441527
                   +1 :               0.00002241110984
                4p
                   -1 :              -0.00002000821813
                   +0 :              -0.00002594643076
                   +1 :              -0.00000142075009
                3d
                   -2 :               0.00002806095835
                   -1 :              -0.00001023431573
                   +0 :               0.00001009404096
                   +1 :              -0.00000515508051
                   +2 :               0.00003432213992
             10 vec=     5.396580     12.099475     -9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00002997902781
                2p
                   -1 :              -0.00000282749787
                   +0 :               0.00001461264711
                   +1 :              -0.00000578859719
                3s
                   +0 :               0.00047175807415
                4s
                   +0 :              -0.00001894576133
                3p
                   -1 :               0.00026847859670
                   +0 :              -0.00015346397971
                   +1 :              -0.00006690124054
                4p
                   -1 :              -0.00000291715139
                   +0 :               0.00002089712865
                   +1 :               0.00002767006349
                3d
                   -2 :              -0.00000615969090
                   -1 :              -0.00004141608454
                   +0 :              -0.00000645787489
                   +1 :              -0.00000099836338
                   +2 :              -0.00007320039557
             11 vec=    13.176743     -1.376162     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00008205052892
                2p
                   -1 :              -0.00005346395163
                   +0 :               0.00000246807234
                   +1 :               0.00010331417884
                3s
                   +0 :              -0.00005267548154
                4s
                   +0 :               0.00006018950027
                3p
                   -1 :               0.00018048325816
                   +0 :              -0.00011757191858
                   +1 :              -0.00040376234416
                4p
                   -1 :              -0.00001925734636
                   +0 :               0.00003512133839
                   +1 :               0.00009465063711
                3d
                   -2 :               0.00000982071829
                   -1 :              -0.00003008221132
                   +0 :               0.00002334833467
                   +1 :               0.00000884993429
                   +2 :              -0.00004668601003
             12 vec=    -2.383582      7.607596     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00000482159689
                2p
                   -1 :               0.00000602743159
                   +0 :              -0.00000247784205
                   +1 :               0.00001245293599
                3s
                   +0 :              -0.00007927589577
                4s
                   +0 :              -0.00000147843121
                3p
                   -1 :               0.00003032397571
                   +0 :               0.00000544713343
                   +1 :              -0.00014538972008
                4p
                   -1 :              -0.00000891021871
                   +0 :               0.00001102466648
                   +1 :               0.00002278842000
                3d
                   -2 :               0.00000569504887
                   -1 :               0.00001262167738
                   +0 :               0.00001011957799
                   +1 :              -0.00003929283965
                   +2 :              -0.00000014580874
             13 vec=     5.396580     -5.868041     14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00008536989924
                2p
                   -1 :              -0.00001448383976
                   +0 :              -0.00002046120409
                   +1 :              -0.00001865048364
                3s
                   +0 :               0.00034206529224
                4s
                   +0 :              -0.00006659956897
                3p
                   -1 :              -0.00002581518307
                   +0 :               0.00013634333692
                   +1 :               0.00009216325732
                4p
                   -1 :               0.00000399606228
                   +0 :              -0.00000592844166
                   +1 :              -0.00002901443815
                3d
                   -2 :              -0.00004587845654
                   -1 :              -0.00000706334624
                   +0 :              -0.00002735171293
                   +1 :               0.00003519848312
                   +2 :              -0.00004687768574
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al(  6)  npairs=  14
              1 vec=    -2.383582     -1.376162     -2.510804   |vec|=    3.725510
                2s
                   +0 :              -0.02065068482996
                2p
                   -1 :               0.01410813931647
                   +0 :               0.01895719007304
                   +1 :               0.01772129803822
                3s
                   +0 :              -0.06713360697777
                4s
                   +0 :              -0.00918520922113
                3p
                   -1 :               0.01359067145829
                   +0 :               0.05646475217127
                   +1 :               0.02153774522379
                4p
                   -1 :               0.00959093017021
                   +0 :               0.00818642973687
                   +1 :               0.00941534037136
                3d
                   -2 :              -0.01899806102318
                   -1 :              -0.02700246991780
                   +0 :              -0.02041446369412
                   +1 :              -0.03033657766843
                   +2 :              -0.00001977772456
              2 vec=     5.396580      3.115717     -2.510804   |vec|=    6.718252
                2s
                   +0 :              -0.00417224772262
                2p
                   -1 :              -0.00238835092160
                   +0 :               0.00138135577108
                   +1 :              -0.00170086365611
                3s
                   +0 :               0.01712931057871
                4s
                   +0 :              -0.00798267983270
                3p
                   -1 :               0.00721551988060
                   +0 :              -0.00674366540154
                   +1 :               0.00524906441737
                4p
                   -1 :              -0.00377400337315
                   +0 :               0.00235291890490
                   +1 :              -0.00297801630054
                3d
                   -2 :              -0.00090604354603
                   -1 :              -0.00091922305336
                   +0 :               0.00084422059849
                   +1 :              -0.00081738968741
                   +2 :              -0.00003226138615
              3 vec=    -2.383582      7.607596     -2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00040279203852
                2p
                   -1 :               0.00008542238303
                   +0 :               0.00023457851537
                   +1 :              -0.00048079045995
                3s
                   +0 :              -0.00255261027161
                4s
                   +0 :               0.00019935521902
                3p
                   -1 :              -0.00163188289973
                   +0 :              -0.00067117412257
                   +1 :               0.00079558772576
                4p
                   -1 :               0.00006330854561
                   +0 :               0.00034420443399
                   +1 :              -0.00033722269847
                3d
                   -2 :               0.00004768608683
                   -1 :               0.00024847465329
                   +0 :               0.00074796532785
                   +1 :               0.00033357014686
                   +2 :               0.00018207412936
              4 vec=     5.396580     -5.868041     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00039308914665
                2p
                   -1 :              -0.00016992209083
                   +0 :               0.00018822769628
                   +1 :              -0.00080484606315
                3s
                   +0 :               0.00139524444312
                4s
                   +0 :               0.00260904370165
                3p
                   -1 :               0.00582723849107
                   +0 :              -0.00331774836891
                   +1 :               0.00480276292514
                4p
                   -1 :              -0.00306012882390
                   +0 :              -0.00034047054798
                   +1 :               0.00001566166154
                3d
                   -2 :               0.00072752430117
                   -1 :              -0.00102125820970
                   +0 :               0.00114201674470
                   +1 :              -0.00111883209456
                   +2 :               0.00134052729703
              5 vec=   -10.163745      3.115717     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00052297440154
                2p
                   -1 :               0.00005090758948
                   +0 :              -0.00002237622354
                   +1 :               0.00026451319984
                3s
                   +0 :              -0.00030698250455
                4s
                   +0 :               0.00010193630142
                3p
                   -1 :              -0.00139848420626
                   +0 :               0.00023709026685
                   +1 :              -0.00051999299698
                4p
                   -1 :               0.00024115462385
                   +0 :              -0.00000889675871
                   +1 :              -0.00027493708866
                3d
                   -2 :               0.00019584978990
                   -1 :               0.00036283532511
                   +0 :               0.00003135169072
                   +1 :               0.00012999738526
                   +2 :               0.00004543606165
              6 vec=    -2.383582    -10.359920     -2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00013447269536
                2p
                   -1 :              -0.00005485606605
                   +0 :               0.00013083892561
                   +1 :               0.00022211480853
                3s
                   +0 :              -0.00093717520906
                4s
                   +0 :               0.00030670141364
                3p
                   -1 :               0.00014860158395
                   +0 :              -0.00036598153210
                   +1 :              -0.00102819389543
                4p
                   -1 :              -0.00013847302003
                   +0 :               0.00019110370134
                   +1 :               0.00030077061202
                3d
                   -2 :               0.00002544416585
                   -1 :              -0.00001327781770
                   +0 :               0.00016553697269
                   +1 :               0.00012689385044
                   +2 :              -0.00000902264492
              7 vec=   -10.163745     -5.868041     -2.510804   |vec|=   12.001657
                2s
                   +0 :              -0.00019687125447
                2p
                   -1 :               0.00010783505895
                   +0 :               0.00004742678558
                   +1 :               0.00010770442350
                3s
                   +0 :              -0.00008657722289
                4s
                   +0 :              -0.00026767524873
                3p
                   -1 :              -0.00028240106366
                   +0 :               0.00034729779786
                   +1 :              -0.00045943417539
                4p
                   -1 :              -0.00001590586751
                   +0 :               0.00004616565817
                   +1 :               0.00029031969515
                3d
                   -2 :               0.00015135867154
                   -1 :              -0.00007156009901
                   +0 :              -0.00024398002204
                   +1 :              -0.00015250178517
                   +2 :              -0.00037703180208
              8 vec=     5.396580     12.099475     -2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00007248822089
                2p
                   -1 :               0.00001260410651
                   +0 :              -0.00008038497653
                   +1 :               0.00004180437880
                3s
                   +0 :              -0.00002014923510
                4s
                   +0 :               0.00008298412354
                3p
                   -1 :               0.00007208162411
                   +0 :               0.00027120440342
                   +1 :              -0.00033190280318
                4p
                   -1 :               0.00001475428413
                   +0 :              -0.00015496520654
                   +1 :               0.00013079495652
                3d
                   -2 :               0.00001442899588
                   -1 :               0.00004493235349
                   +0 :               0.00011470092935
                   +1 :              -0.00000462359320
                   +2 :              -0.00006428091831
              9 vec=    13.176743     -1.376162     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00024275259606
                2p
                   -1 :              -0.00023760841249
                   +0 :              -0.00013777535167
                   +1 :              -0.00003986566829
                3s
                   +0 :               0.00147459793937
                4s
                   +0 :               0.00003736344440
                3p
                   -1 :               0.00078319648139
                   +0 :              -0.00000899692707
                   +1 :               0.00041138759252
                4p
                   -1 :              -0.00041249209662
                   +0 :              -0.00006516246546
                   +1 :               0.00008298751889
                3d
                   -2 :               0.00019305080331
                   -1 :               0.00029514568312
                   +0 :              -0.00000067473716
                   +1 :              -0.00000862856633
                   +2 :               0.00007742121466
             10 vec=    13.176743      7.607596     -2.510804   |vec|=   15.420966
                2s
                   +0 :               0.00002340890673
                2p
                   -1 :              -0.00000513075029
                   +0 :              -0.00002349994549
                   +1 :              -0.00001465969751
                3s
                   +0 :               0.00033035329189
                4s
                   +0 :              -0.00013559443955
                3p
                   -1 :               0.00013515239729
                   +0 :               0.00002747380142
                   +1 :               0.00018284224450
                4p
                   -1 :              -0.00010677495072
                   +0 :              -0.00003108967555
                   +1 :              -0.00008251953192
                3d
                   -2 :               0.00003446193429
                   -1 :               0.00001962439807
                   +0 :               0.00000089138164
                   +1 :              -0.00001261452431
                   +2 :               0.00000195269550
             11 vec=   -10.163745     12.099475     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00002734478196
                2p
                   -1 :              -0.00002390222066
                   +0 :               0.00001249539722
                   +1 :               0.00000139842006
                3s
                   +0 :              -0.00040730366783
                4s
                   +0 :               0.00004054949966
                3p
                   -1 :               0.00006160591653
                   +0 :              -0.00004787904151
                   +1 :               0.00006389971782
                4p
                   -1 :              -0.00003954169651
                   +0 :               0.00002533367999
                   +1 :              -0.00001362825963
                3d
                   -2 :              -0.00004473790152
                   -1 :               0.00001982941903
                   +0 :              -0.00003874600705
                   +1 :               0.00007061987317
                   +2 :               0.00001051625444
             12 vec=     5.396580    -14.851799     -2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00003571105902
                2p
                   -1 :               0.00000174494832
                   +0 :               0.00000409938359
                   +1 :              -0.00005287914649
                3s
                   +0 :               0.00017245877794
                4s
                   +0 :              -0.00007731193834
                3p
                   -1 :               0.00003595135024
                   +0 :              -0.00005413557553
                   +1 :               0.00017897183106
                4p
                   -1 :               0.00002827385196
                   +0 :              -0.00000887388894
                   +1 :              -0.00007606893947
                3d
                   -2 :              -0.00005369426481
                   -1 :               0.00001207793761
                   +0 :               0.00001254359656
                   +1 :               0.00010980667986
                   +2 :               0.00003347581995
             13 vec=    -2.383582     16.591354     -2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00000094031037
                2p
                   -1 :              -0.00000574325393
                   +0 :               0.00000232033163
                   +1 :               0.00000469967176
                3s
                   +0 :              -0.00005335258602
                4s
                   +0 :               0.00000952329329
                3p
                   -1 :               0.00001358055114
                   +0 :               0.00000044941562
                   +1 :              -0.00004308696501
                4p
                   -1 :              -0.00001109366486
                   +0 :              -0.00000257402930
                   +1 :               0.00000102924700
                3d
                   -2 :               0.00000840662660
                   -1 :               0.00000367553883
                   +0 :              -0.00002440814556
                   +1 :              -0.00000880552787
                   +2 :              -0.00000636898606
             14 vec=    13.176743    -10.359920     -2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00001193112755
                2p
                   -1 :               0.00002785330780
                   +0 :              -0.00001767365086
                   +1 :               0.00002204952747
                3s
                   +0 :               0.00028154181074
                4s
                   +0 :              -0.00006878680160
                3p
                   -1 :              -0.00021875461666
                   +0 :              -0.00003390102851
                   +1 :              -0.00003839427884
                4p
                   -1 :               0.00004834102299
                   +0 :              -0.00000636122241
                   +1 :              -0.00000737992668
                3d
                   -2 :              -0.00002951556331
                   -1 :               0.00003628039882
                   +0 :               0.00002541671612
                   +1 :              -0.00002981508615
                   +2 :              -0.00002590575450
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al(  7)  npairs=  13
              1 vec=    -2.383582     -1.376162      9.762967   |vec|=   10.143511
                2s
                   +0 :               0.00035682611417
                2p
                   -1 :               0.00020251012784
                   +0 :               0.00004113312298
                   +1 :              -0.00010100356201
                3s
                   +0 :              -0.00094031315629
                4s
                   +0 :               0.00016667200098
                3p
                   -1 :              -0.00145931273476
                   +0 :              -0.00016410569439
                   +1 :               0.00011634951123
                4p
                   -1 :               0.00050050574767
                   +0 :               0.00002894553655
                   +1 :              -0.00012207642588
                3d
                   -2 :              -0.00012565429355
                   -1 :              -0.00017452449818
                   +0 :               0.00013360473394
                   +1 :              -0.00016450076042
                   +2 :              -0.00074306732729
              2 vec=     5.396580      3.115717      9.762967   |vec|=   11.582154
                2s
                   +0 :              -0.00001077483165
                2p
                   -1 :               0.00008972130854
                   +0 :              -0.00013187760545
                   +1 :               0.00011618121235
                3s
                   +0 :              -0.00012658960740
                4s
                   +0 :              -0.00033671274666
                3p
                   -1 :               0.00001228026305
                   +0 :               0.00089648079378
                   +1 :              -0.00124140392016
                4p
                   -1 :              -0.00000346366339
                   +0 :              -0.00030275091072
                   +1 :               0.00026839695985
                3d
                   -2 :              -0.00016754933984
                   -1 :              -0.00004044163936
                   +0 :               0.00037248629378
                   +1 :              -0.00001507427876
                   +2 :               0.00008725550862
              3 vec=    -2.383582      7.607596      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00002875209817
                2p
                   -1 :               0.00000764209028
                   +0 :               0.00005196550461
                   +1 :              -0.00005896479923
                3s
                   +0 :              -0.00083997787247
                4s
                   +0 :               0.00016720511899
                3p
                   -1 :              -0.00065238788928
                   +0 :              -0.00035429802483
                   +1 :               0.00051328806649
                4p
                   -1 :               0.00012140206084
                   +0 :               0.00006110424569
                   +1 :              -0.00014746759761
                3d
                   -2 :              -0.00002191558925
                   -1 :              -0.00021050720573
                   +0 :               0.00024848323079
                   +1 :               0.00012739360890
                   +2 :               0.00019115821295
              4 vec=     5.396580     -5.868041      9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00003111619304
                2p
                   -1 :              -0.00015751375244
                   +0 :               0.00002312609329
                   +1 :              -0.00012016621327
                3s
                   +0 :              -0.00001503961449
                4s
                   +0 :              -0.00012580075655
                3p
                   -1 :               0.00113462908650
                   +0 :              -0.00015851364011
                   +1 :               0.00056344369426
                4p
                   -1 :              -0.00037809967957
                   +0 :               0.00003334731753
                   +1 :              -0.00025212100267
                3d
                   -2 :               0.00024693153029
                   -1 :               0.00013816034892
                   +0 :               0.00004318890108
                   +1 :              -0.00018741706642
                   +2 :              -0.00008869399061
              5 vec=   -10.163745      3.115717      9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00022255370203
                2p
                   -1 :               0.00004647180212
                   +0 :               0.00007166369670
                   +1 :               0.00001753438394
                3s
                   +0 :              -0.00027412179312
                4s
                   +0 :               0.00012922581874
                3p
                   -1 :               0.00010477297009
                   +0 :              -0.00029537122024
                   +1 :              -0.00023892730562
                4p
                   -1 :              -0.00001494503194
                   +0 :               0.00004173898953
                   +1 :               0.00010241429138
                3d
                   -2 :              -0.00009530674692
                   -1 :              -0.00005910739106
                   +0 :              -0.00004154120637
                   +1 :              -0.00004060386185
                   +2 :               0.00011763374084
              6 vec=    -2.383582    -10.359920      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00004888184348
                2p
                   -1 :              -0.00006682625141
                   +0 :              -0.00001709502121
                   +1 :               0.00012623603239
                3s
                   +0 :               0.00009432678934
                4s
                   +0 :               0.00010214550363
                3p
                   -1 :               0.00045308817752
                   +0 :               0.00010188241939
                   +1 :              -0.00080517312661
                4p
                   -1 :              -0.00020866147523
                   +0 :               0.00000478511963
                   +1 :               0.00014503139193
                3d
                   -2 :               0.00019772648008
                   -1 :               0.00003356157135
                   +0 :              -0.00002869443198
                   +1 :              -0.00019571832603
                   +2 :               0.00014582386147
              7 vec=    -2.383582     -1.376162    -14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00006983217790
                2p
                   -1 :               0.00000407587648
                   +0 :               0.00002259862514
                   +1 :              -0.00002490259113
                3s
                   +0 :               0.00012632397838
                4s
                   +0 :              -0.00004842552034
                3p
                   -1 :              -0.00005853550425
                   +0 :              -0.00000559987920
                   +1 :               0.00005416571093
                4p
                   -1 :              -0.00001527582162
                   +0 :               0.00000834687297
                   +1 :               0.00002233117500
                3d
                   -2 :              -0.00000761563642
                   -1 :              -0.00001821408232
                   +0 :              -0.00002903995259
                   +1 :              -0.00002617735424
                   +2 :              -0.00010607556146
              8 vec=   -10.163745     -5.868041      9.762967   |vec|=   15.266013
                2s
                   +0 :              -0.00026510823633
                2p
                   -1 :               0.00003471702024
                   +0 :              -0.00016385950399
                   +1 :               0.00019156817229
                3s
                   +0 :               0.00102194072101
                4s
                   +0 :              -0.00031202746124
                3p
                   -1 :              -0.00011616340913
                   +0 :               0.00095229523333
                   +1 :              -0.00072133477717
                4p
                   -1 :              -0.00000586536202
                   +0 :              -0.00022864275719
                   +1 :               0.00023842407632
                3d
                   -2 :               0.00007448584379
                   -1 :              -0.00014083992200
                   +0 :               0.00007114873379
                   +1 :              -0.00030618240739
                   +2 :               0.00010436828038
              9 vec=     5.396580      3.115717    -14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00005674134151
                2p
                   -1 :               0.00001225042552
                   +0 :               0.00002350780637
                   +1 :              -0.00004171847286
                3s
                   +0 :               0.00040868297634
                4s
                   +0 :              -0.00012542999360
                3p
                   -1 :              -0.00012053746710
                   +0 :              -0.00021811399839
                   +1 :               0.00010993665959
                4p
                   -1 :               0.00002543228023
                   +0 :               0.00005179624611
                   +1 :              -0.00004306815172
                3d
                   -2 :              -0.00000629221667
                   -1 :              -0.00000144344892
                   +0 :               0.00003250794937
                   +1 :              -0.00001799951898
                   +2 :              -0.00001774057221
             10 vec=     5.396580     12.099475      9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00008081165763
                2p
                   -1 :               0.00006664357499
                   +0 :               0.00000496320164
                   +1 :              -0.00001181961783
                3s
                   +0 :              -0.00042955774750
                4s
                   +0 :               0.00011825541096
                3p
                   -1 :              -0.00036198356144
                   +0 :              -0.00003333788174
                   +1 :               0.00009730505647
                4p
                   -1 :               0.00006637499232
                   +0 :               0.00001277024122
                   +1 :              -0.00001270437240
                3d
                   -2 :               0.00004313001511
                   -1 :              -0.00003112723588
                   +0 :               0.00002987276758
                   +1 :               0.00003841641110
                   +2 :               0.00009064394130
             11 vec=    13.176743     -1.376162      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00003630814070
                2p
                   -1 :              -0.00002451654324
                   +0 :              -0.00000085855781
                   +1 :               0.00000798984459
                3s
                   +0 :               0.00015569101919
                4s
                   +0 :              -0.00002307673391
                3p
                   -1 :              -0.00005072432915
                   +0 :              -0.00006562551854
                   +1 :               0.00005397208337
                4p
                   -1 :               0.00001296965959
                   +0 :               0.00003164359826
                   +1 :              -0.00000967542477
                3d
                   -2 :              -0.00004916729874
                   -1 :               0.00000589392225
                   +0 :              -0.00005883441150
                   +1 :               0.00000132377861
                   +2 :              -0.00001116747522
             12 vec=    -2.383582      7.607596    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00000649388821
                2p
                   -1 :              -0.00002169251171
                   +0 :              -0.00001270290884
                   +1 :              -0.00003265424888
                3s
                   +0 :               0.00009524413861
                4s
                   +0 :              -0.00000870442817
                3p
                   -1 :               0.00018589135012
                   +0 :              -0.00004312960566
                   +1 :               0.00003396160986
                4p
                   -1 :              -0.00004341546881
                   +0 :              -0.00001714972004
                   +1 :              -0.00001493706914
                3d
                   -2 :              -0.00003871415713
                   -1 :              -0.00005902813422
                   +0 :               0.00002313105651
                   +1 :               0.00001887131408
                   +2 :              -0.00003598644020
             13 vec=     5.396580     -5.868041    -14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00002931516475
                2p
                   -1 :              -0.00006340251409
                   +0 :              -0.00000564115681
                   +1 :              -0.00000228731502
                3s
                   +0 :               0.00012563061345
                4s
                   +0 :               0.00003301779609
                3p
                   -1 :               0.00019960012880
                   +0 :               0.00002904484012
                   +1 :              -0.00002557051661
                4p
                   -1 :              -0.00006273865491
                   +0 :              -0.00004914802584
                   +1 :              -0.00000117132524
                3d
                   -2 :               0.00000199611829
                   -1 :              -0.00002006649941
                   +0 :              -0.00005114819860
                   +1 :               0.00002433373357
                   +2 :              -0.00004694356129
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al(  8)  npairs=  14
              1 vec=    -2.383582     -1.376162      2.510641   |vec|=    3.725400
                2s
                   +0 :              -0.01819275947993
                2p
                   -1 :               0.01004673327746
                   +0 :              -0.01817885690802
                   +1 :               0.01729648870746
                3s
                   +0 :              -0.05895687698645
                4s
                   +0 :              -0.00564080767413
                3p
                   -1 :               0.02868988511068
                   +0 :              -0.05281221629809
                   +1 :               0.00671374542710
                4p
                   -1 :               0.00159668039774
                   +0 :              -0.00654362474444
                   +1 :               0.01090671118743
                3d
                   -2 :              -0.01527985970822
                   -1 :               0.02396862884433
                   +0 :              -0.02173605570149
                   +1 :               0.02697514506458
                   +2 :               0.00308155511666
              2 vec=     5.396580      3.115717      2.510641   |vec|=    6.718191
                2s
                   +0 :              -0.00040776503261
                2p
                   -1 :               0.00008493115520
                   +0 :              -0.00041726256612
                   +1 :              -0.00064089435195
                3s
                   +0 :              -0.00404061957352
                4s
                   +0 :              -0.00114672557885
                3p
                   -1 :              -0.00575668136975
                   +0 :              -0.00332451275507
                   +1 :              -0.00128813696307
                4p
                   -1 :               0.00033155403861
                   +0 :               0.00010563457633
                   +1 :              -0.00109469189217
                3d
                   -2 :              -0.00252040875343
                   -1 :               0.00038239166389
                   +0 :              -0.00073763297992
                   +1 :              -0.00149570955037
                   +2 :               0.00154009182867
              3 vec=    -2.383582      7.607596      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00008159384741
                2p
                   -1 :               0.00043288254489
                   +0 :               0.00021037948655
                   +1 :              -0.00026283767088
                3s
                   +0 :              -0.00196125848889
                4s
                   +0 :               0.00238510950973
                3p
                   -1 :              -0.00664076460809
                   +0 :              -0.00386499075501
                   +1 :               0.00254669946435
                4p
                   -1 :               0.00190311761851
                   +0 :               0.00100281852530
                   +1 :              -0.00120987841349
                3d
                   -2 :               0.00064144685528
                   -1 :              -0.00116661665511
                   +0 :               0.00209481985219
                   +1 :               0.00130967933336
                   +2 :               0.00151694224735
              4 vec=     5.396580     -5.868041      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00121544827962
                2p
                   -1 :              -0.00122047227744
                   +0 :              -0.00042903679463
                   +1 :               0.00033570841736
                3s
                   +0 :              -0.00119531337879
                4s
                   +0 :               0.00093352809098
                3p
                   -1 :               0.00693079591401
                   +0 :               0.00510953808462
                   +1 :              -0.00123832599637
                4p
                   -1 :              -0.00139780305882
                   +0 :              -0.00075186179202
                   +1 :               0.00090089025200
                3d
                   -2 :               0.00137729170483
                   -1 :               0.00058733707216
                   +0 :               0.00270101540629
                   +1 :               0.00117388555891
                   +2 :               0.00160493725799
              5 vec=   -10.163745      3.115717      2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00030547915934
                2p
                   -1 :               0.00000598055147
                   +0 :               0.00006800762495
                   +1 :              -0.00010702367389
                3s
                   +0 :              -0.00156176731303
                4s
                   +0 :               0.00053766424664
                3p
                   -1 :              -0.00010818786427
                   +0 :              -0.00053705977087
                   +1 :               0.00049024811544
                4p
                   -1 :               0.00005184486466
                   +0 :               0.00015260317019
                   +1 :              -0.00008480030571
                3d
                   -2 :              -0.00011037630656
                   -1 :              -0.00015394926127
                   +0 :               0.00020834801981
                   +1 :               0.00010012282977
                   +2 :               0.00000994297003
              6 vec=    -2.383582    -10.359920      2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00007158245452
                2p
                   -1 :              -0.00017188246949
                   +0 :              -0.00001808409938
                   +1 :               0.00015078826248
                3s
                   +0 :               0.00036230952635
                4s
                   +0 :               0.00030311276422
                3p
                   -1 :               0.00053815217015
                   +0 :               0.00004256403987
                   +1 :              -0.00084818254121
                4p
                   -1 :              -0.00045571134260
                   +0 :               0.00012366575144
                   +1 :               0.00018668308218
                3d
                   -2 :              -0.00005327655292
                   -1 :              -0.00010529159215
                   +0 :               0.00016553646135
                   +1 :              -0.00031161673936
                   +2 :               0.00004618194122
              7 vec=   -10.163745     -5.868041      2.510641   |vec|=   12.001622
                2s
                   +0 :              -0.00029900393204
                2p
                   -1 :               0.00013486941280
                   +0 :              -0.00005627782135
                   +1 :               0.00019313206855
                3s
                   +0 :               0.00089491104356
                4s
                   +0 :              -0.00072561105022
                3p
                   -1 :              -0.00106072299707
                   +0 :              -0.00034167150804
                   +1 :              -0.00091960096947
                4p
                   -1 :               0.00040918396772
                   +0 :              -0.00000600525475
                   +1 :               0.00034219762749
                3d
                   -2 :               0.00009309291387
                   -1 :              -0.00019121609346
                   +0 :              -0.00020489619347
                   +1 :               0.00007007729061
                   +2 :               0.00028313219063
              8 vec=     5.396580     12.099475      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00008806096312
                2p
                   -1 :               0.00005142784609
                   +0 :               0.00007765859517
                   +1 :              -0.00011207534266
                3s
                   +0 :              -0.00033190960415
                4s
                   +0 :               0.00013438875722
                3p
                   -1 :               0.00001175423347
                   +0 :               0.00028502247342
                   +1 :               0.00026428550139
                4p
                   -1 :               0.00010531636477
                   +0 :              -0.00000214766758
                   +1 :              -0.00011050425060
                3d
                   -2 :               0.00015213028103
                   -1 :              -0.00000050193433
                   +0 :               0.00007259705813
                   +1 :               0.00000315322462
                   +2 :              -0.00009419214719
              9 vec=    13.176743     -1.376162      2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00005704655013
                2p
                   -1 :               0.00025368767104
                   +0 :              -0.00021801501383
                   +1 :              -0.00005063613648
                3s
                   +0 :               0.00124299414351
                4s
                   +0 :              -0.00068834924051
                3p
                   -1 :              -0.00176359707818
                   +0 :               0.00191869385309
                   +1 :               0.00115678908684
                4p
                   -1 :               0.00039750586983
                   +0 :              -0.00040328556881
                   +1 :              -0.00047446264151
                3d
                   -2 :              -0.00034111619122
                   -1 :               0.00001966939206
                   +0 :              -0.00004762176884
                   +1 :               0.00035554710225
                   +2 :               0.00015184690109
             10 vec=    13.176743      7.607596      2.510641   |vec|=   15.420940
                2s
                   +0 :              -0.00005533881325
                2p
                   -1 :               0.00001608815037
                   +0 :              -0.00000538924083
                   +1 :              -0.00002599787871
                3s
                   +0 :               0.00043275610463
                4s
                   +0 :              -0.00009815446503
                3p
                   -1 :              -0.00005250026916
                   +0 :               0.00010212535557
                   +1 :               0.00010534569380
                4p
                   -1 :               0.00001296992113
                   +0 :              -0.00000007158902
                   +1 :              -0.00003934993480
                3d
                   -2 :              -0.00005619885027
                   -1 :               0.00009068155779
                   +0 :               0.00001031112939
                   +1 :               0.00000297637431
                   +2 :               0.00002660358694
             11 vec=   -10.163745     12.099475      2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00003926522158
                2p
                   -1 :              -0.00003094925575
                   +0 :               0.00000291946345
                   +1 :              -0.00003784673825
                3s
                   +0 :              -0.00021207209944
                4s
                   +0 :               0.00001068726928
                3p
                   -1 :               0.00010211070596
                   +0 :              -0.00011581469026
                   +1 :               0.00012366751998
                4p
                   -1 :              -0.00005256466308
                   +0 :               0.00002361453201
                   +1 :              -0.00000389188619
                3d
                   -2 :              -0.00000443802678
                   -1 :              -0.00001431686129
                   +0 :               0.00001392126299
                   +1 :              -0.00004606080126
                   +2 :              -0.00001599174552
             12 vec=     5.396580    -14.851799      2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00008443257988
                2p
                   -1 :               0.00002953564790
                   +0 :              -0.00000855817419
                   +1 :               0.00001888840775
                3s
                   +0 :               0.00029198958520
                4s
                   +0 :              -0.00009711586198
                3p
                   -1 :              -0.00009807349791
                   +0 :              -0.00003945837231
                   +1 :              -0.00012597396454
                4p
                   -1 :               0.00002153927560
                   +0 :              -0.00000743590005
                   +1 :               0.00001358776762
                3d
                   -2 :               0.00006563383573
                   -1 :               0.00000865991665
                   +0 :               0.00000335853023
                   +1 :               0.00003833511792
                   +2 :               0.00002555586517
             13 vec=    -2.383582     16.591354      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00000517885564
                2p
                   -1 :              -0.00000311956190
                   +0 :               0.00000379336916
                   +1 :               0.00001534364750
                3s
                   +0 :              -0.00015252458776
                4s
                   +0 :               0.00002147038895
                3p
                   -1 :              -0.00005499992462
                   +0 :               0.00000405705129
                   +1 :               0.00000134591885
                4p
                   -1 :               0.00001862154404
                   +0 :              -0.00001178675674
                   +1 :               0.00001079644651
                3d
                   -2 :              -0.00000321249329
                   -1 :              -0.00001681460412
                   +0 :              -0.00003481645949
                   +1 :              -0.00001302373357
                   +2 :              -0.00000299836785
             14 vec=    13.176743    -10.359920      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00004378141809
                2p
                   -1 :               0.00003458125399
                   +0 :              -0.00001201822419
                   +1 :               0.00000940171107
                3s
                   +0 :              -0.00011227090124
                4s
                   +0 :               0.00003682546865
                3p
                   -1 :              -0.00019840060366
                   +0 :               0.00021768887203
                   +1 :               0.00000438945080
                4p
                   -1 :               0.00007551936760
                   +0 :              -0.00002208553401
                   +1 :               0.00000763054152
                3d
                   -2 :              -0.00000828823482
                   -1 :              -0.00003932081562
                   +0 :              -0.00002534973901
                   +1 :              -0.00004980333090
                   +2 :               0.00000035808610
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al(  9)  npairs=  14
              1 vec=     2.803193     -1.376162     -1.580453   |vec|=    3.499934
                2s
                   +0 :               0.03993588131015
                2p
                   -1 :              -0.02143679535856
                   +0 :              -0.02554168746358
                   +1 :               0.03248083874153
                3s
                   +0 :               0.10347225178437
                4s
                   +0 :               0.01325894739769
                3p
                   -1 :              -0.03186152516021
                   +0 :              -0.04786506795870
                   +1 :               0.05639140267015
                4p
                   -1 :              -0.01374573681694
                   +0 :              -0.01189270355379
                   +1 :               0.01641981938001
                3d
                   -2 :              -0.03725289262814
                   -1 :               0.03064199041686
                   +0 :               0.00356888949835
                   +1 :              -0.04506506407310
                   +2 :               0.01175597521955
              2 vec=    -4.976970      3.115717     -1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00400181120555
                2p
                   -1 :               0.00186489171222
                   +0 :              -0.00056104096681
                   +1 :              -0.00279467968097
                3s
                   +0 :              -0.01061297760510
                4s
                   +0 :               0.00539913585733
                3p
                   -1 :              -0.00078879185997
                   +0 :               0.00185959135159
                   +1 :               0.00942747033076
                4p
                   -1 :               0.00192448140209
                   +0 :              -0.00089082938843
                   +1 :              -0.00331124186808
                3d
                   -2 :              -0.00113734110929
                   -1 :               0.00024276491586
                   +0 :               0.00265803720859
                   +1 :              -0.00078088725382
                   +2 :              -0.00286175984860
              3 vec=    -4.976970     -5.868041     -1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00027819170080
                2p
                   -1 :              -0.00071408041932
                   +0 :               0.00043639852053
                   +1 :               0.00001051464538
                3s
                   +0 :              -0.00758140732315
                4s
                   +0 :               0.00006393464901
                3p
                   -1 :               0.00024523895550
                   +0 :               0.00313304731734
                   +1 :               0.00409946416469
                4p
                   -1 :              -0.00042123612204
                   +0 :               0.00007213182818
                   +1 :               0.00014399225592
                3d
                   -2 :              -0.00007011890586
                   -1 :               0.00016613156109
                   +0 :              -0.00087989372918
                   +1 :              -0.00105285102061
                   +2 :              -0.00186242107985
              4 vec=     2.803193      7.607596     -1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00001491334940
                2p
                   -1 :               0.00008443361186
                   +0 :              -0.00024704509486
                   +1 :               0.00048401047244
                3s
                   +0 :               0.00205486587213
                4s
                   +0 :              -0.00023848832186
                3p
                   -1 :               0.00056861705566
                   +0 :               0.00055334760170
                   +1 :              -0.00449366103717
                4p
                   -1 :               0.00042574718908
                   +0 :              -0.00011140350965
                   +1 :               0.00055989259884
                3d
                   -2 :              -0.00125087646676
                   -1 :              -0.00049876392068
                   +0 :              -0.00053401490710
                   +1 :               0.00076422709798
                   +2 :              -0.00058008700572
              5 vec=     2.803193    -10.359920     -1.580453   |vec|=   10.848210
                2s
                   +0 :              -0.00024847550036
                2p
                   -1 :               0.00016878904345
                   +0 :              -0.00028081036248
                   +1 :              -0.00009940920026
                3s
                   +0 :               0.00052537156014
                4s
                   +0 :              -0.00023550038325
                3p
                   -1 :              -0.00057029659197
                   +0 :               0.00056835317038
                   +1 :              -0.00007463918104
                4p
                   -1 :               0.00021800563956
                   +0 :               0.00009409829053
                   +1 :              -0.00014909652396
                3d
                   -2 :              -0.00030843691734
                   -1 :              -0.00010788414516
                   +0 :              -0.00004452036788
                   +1 :               0.00026641046035
                   +2 :              -0.00026992418897
              6 vec=    10.583355      3.115717     -1.580453   |vec|=   11.145086
                2s
                   +0 :              -0.00037136123158
                2p
                   -1 :              -0.00031390784514
                   +0 :               0.00014548526540
                   +1 :               0.00000188752041
                3s
                   +0 :               0.00333079626619
                4s
                   +0 :              -0.00134146116976
                3p
                   -1 :               0.00252049484393
                   +0 :              -0.00150012988392
                   +1 :               0.00066359606297
                4p
                   -1 :              -0.00079927754527
                   +0 :               0.00040269268108
                   +1 :              -0.00051815713498
                3d
                   -2 :               0.00046897841015
                   -1 :              -0.00014842745924
                   +0 :              -0.00023308811894
                   +1 :              -0.00031336789443
                   +2 :              -0.00043651256693
              7 vec=    10.583355     -5.868041     -1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00032731147615
                2p
                   -1 :               0.00003703927023
                   +0 :               0.00023251058500
                   +1 :              -0.00008608948985
                3s
                   +0 :               0.00166272533370
                4s
                   +0 :              -0.00025251300641
                3p
                   -1 :              -0.00030349963290
                   +0 :              -0.00161687396153
                   +1 :               0.00087991276400
                4p
                   -1 :              -0.00001705605255
                   +0 :               0.00027245420862
                   +1 :              -0.00023386885100
                3d
                   -2 :               0.00005669347572
                   -1 :               0.00020295779826
                   +0 :              -0.00003229451539
                   +1 :              -0.00017083081501
                   +2 :               0.00009768954793
              8 vec=   -12.757133     -1.376162     -1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00038341594599
                2p
                   -1 :              -0.00000801857294
                   +0 :               0.00009138805823
                   +1 :               0.00013288801569
                3s
                   +0 :              -0.00264909221180
                4s
                   +0 :               0.00042902194949
                3p
                   -1 :               0.00141322109246
                   +0 :               0.00052826113734
                   +1 :              -0.00047978241491
                4p
                   -1 :              -0.00005582829145
                   +0 :              -0.00006428328313
                   +1 :               0.00021983571236
                3d
                   -2 :              -0.00023011441364
                   -1 :              -0.00055393490720
                   +0 :              -0.00008129791364
                   +1 :              -0.00002660551913
                   +2 :               0.00058497534113
              9 vec=    -4.976970     12.099475     -1.580453   |vec|=   13.178215
                2s
                   +0 :              -0.00019875573649
                2p
                   -1 :              -0.00003679002270
                   +0 :               0.00002284267836
                   +1 :              -0.00001967147708
                3s
                   +0 :               0.00056361606249
                4s
                   +0 :              -0.00012132333039
                3p
                   -1 :               0.00010405959834
                   +0 :               0.00011830373901
                   +1 :               0.00033166409489
                4p
                   -1 :               0.00001395080856
                   +0 :               0.00005277789741
                   +1 :              -0.00004852669742
                3d
                   -2 :               0.00016571410891
                   -1 :               0.00001664943974
                   +0 :              -0.00000165659441
                   +1 :              -0.00010868397799
                   +2 :              -0.00000203632290
             10 vec=   -12.757133      7.607596     -1.580453   |vec|=   14.937128
                2s
                   +0 :               0.00025054322612
                2p
                   -1 :               0.00005620210028
                   +0 :               0.00000626249122
                   +1 :              -0.00005200075736
                3s
                   +0 :              -0.00141795281027
                4s
                   +0 :               0.00037968877936
                3p
                   -1 :              -0.00043280568756
                   +0 :               0.00016530073290
                   +1 :               0.00035809325531
                4p
                   -1 :               0.00010252946269
                   +0 :              -0.00002627472419
                   +1 :              -0.00013191393362
                3d
                   -2 :               0.00002955265537
                   -1 :               0.00008817481957
                   +0 :              -0.00005578330851
                   +1 :               0.00005967304373
                   +2 :               0.00000506554193
             11 vec=    -4.976970    -14.851799     -1.580453   |vec|=   15.743062
                2s
                   +0 :               0.00011595101406
                2p
                   -1 :              -0.00002462113242
                   +0 :              -0.00005618341946
                   +1 :              -0.00003277479693
                3s
                   +0 :              -0.00050984304006
                4s
                   +0 :               0.00015040965331
                3p
                   -1 :               0.00005731483269
                   +0 :               0.00036895931648
                   +1 :              -0.00000110593443
                4p
                   -1 :              -0.00002932001890
                   +0 :              -0.00009017708086
                   +1 :               0.00000524872640
                3d
                   -2 :               0.00003496091358
                   -1 :              -0.00004461802051
                   +0 :               0.00004377905356
                   +1 :               0.00001242812507
                   +2 :              -0.00000185999799
             12 vec=    10.583355     12.099475     -1.580453   |vec|=   16.152478
                2s
                   +0 :              -0.00005662732919
                2p
                   -1 :               0.00001371961202
                   +0 :              -0.00001016928021
                   +1 :               0.00001263335525
                3s
                   +0 :               0.00052398116081
                4s
                   +0 :              -0.00005112802328
                3p
                   -1 :               0.00004828846651
                   +0 :               0.00005285148280
                   +1 :              -0.00014768169708
                4p
                   -1 :               0.00001180088426
                   +0 :              -0.00000659298349
                   +1 :               0.00005086217273
                3d
                   -2 :              -0.00004710069486
                   -1 :              -0.00002584947920
                   +0 :               0.00004231079543
                   +1 :               0.00007177451376
                   +2 :              -0.00002673038435
             13 vec=   -12.757133    -10.359920     -1.580453   |vec|=   16.509700
                2s
                   +0 :               0.00014491263711
                2p
                   -1 :              -0.00000551268707
                   +0 :              -0.00004132463217
                   +1 :              -0.00002209693407
                3s
                   +0 :              -0.00088083151114
                4s
                   +0 :               0.00015249097926
                3p
                   -1 :               0.00009303167077
                   +0 :               0.00039402732957
                   +1 :               0.00024622553121
                4p
                   -1 :              -0.00001901794224
                   +0 :              -0.00005859003801
                   +1 :              -0.00002291035935
                3d
                   -2 :               0.00000429354432
                   -1 :              -0.00003545405863
                   +0 :              -0.00003630033524
                   +1 :              -0.00012390477589
                   +2 :               0.00000756632826
             14 vec=     2.803193     16.591354     -1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00002876435572
                2p
                   -1 :              -0.00001406812880
                   +0 :               0.00001854171662
                   +1 :              -0.00002051780256
                3s
                   +0 :               0.00018023321533
                4s
                   +0 :              -0.00004358413840
                3p
                   -1 :               0.00012094352324
                   +0 :              -0.00015222595928
                   +1 :               0.00011056106712
                4p
                   -1 :              -0.00003144492811
                   +0 :               0.00002532902827
                   +1 :              -0.00001716499958
                3d
                   -2 :               0.00001354242275
                   -1 :              -0.00004482766249
                   +0 :               0.00002834014005
                   +1 :              -0.00000849494493
                   +2 :              -0.00000819264839
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al( 10)  npairs=  14
              1 vec=     2.803193     -1.376162      5.671873   |vec|=    6.474709
                2s
                   +0 :              -0.00195475165739
                2p
                   -1 :               0.00062711923693
                   +0 :              -0.00133742107207
                   +1 :              -0.00017727919522
                3s
                   +0 :               0.00690257484645
                4s
                   +0 :              -0.00251701636756
                3p
                   -1 :              -0.00423615703770
                   +0 :               0.01085262661851
                   +1 :              -0.00067757426701
                4p
                   -1 :               0.00041906384189
                   +0 :              -0.00396620313161
                   +1 :               0.00056705391128
                3d
                   -2 :              -0.00029109406854
                   -1 :              -0.00091314666041
                   +0 :               0.00347982123016
                   +1 :               0.00148791572580
                   +2 :               0.00122122025397
              2 vec=    -4.976970      3.115717      5.671873   |vec|=    8.163827
                2s
                   +0 :              -0.00000472706181
                2p
                   -1 :              -0.00044464778206
                   +0 :               0.00086897834072
                   +1 :              -0.00015823512996
                3s
                   +0 :              -0.00171347704219
                4s
                   +0 :              -0.00025883367394
                3p
                   -1 :               0.00292336195470
                   +0 :              -0.00352365342134
                   +1 :               0.00213905894916
                4p
                   -1 :              -0.00101798455327
                   +0 :               0.00117365638395
                   +1 :              -0.00032637340527
                3d
                   -2 :              -0.00020298447148
                   -1 :               0.00050511126054
                   +0 :               0.00064801627578
                   +1 :               0.00083116226652
                   +2 :              -0.00105630624120
              3 vec=    -4.976970     -5.868041      5.671873   |vec|=    9.558990
                2s
                   +0 :               0.00032452387676
                2p
                   -1 :              -0.00044922503648
                   +0 :              -0.00006327492924
                   +1 :              -0.00075109709007
                3s
                   +0 :              -0.00296775612869
                4s
                   +0 :               0.00084683567549
                3p
                   -1 :               0.00252200710566
                   +0 :              -0.00000355533170
                   +1 :               0.00477303240428
                4p
                   -1 :              -0.00038080577302
                   +0 :              -0.00011393781951
                   +1 :              -0.00150657717728
                3d
                   -2 :              -0.00061344755025
                   -1 :               0.00028274661290
                   +0 :              -0.00006671069149
                   +1 :               0.00075209713822
                   +2 :               0.00072468249510
              4 vec=     2.803193      7.607596      5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00152095970625
                2p
                   -1 :               0.00030774285525
                   +0 :               0.00024742679858
                   +1 :               0.00060995150681
                3s
                   +0 :              -0.00978245523616
                4s
                   +0 :               0.00083706165480
                3p
                   -1 :              -0.00316562417396
                   +0 :              -0.00217992210048
                   +1 :              -0.00600711786365
                4p
                   -1 :               0.00029995519714
                   +0 :              -0.00009152396800
                   +1 :               0.00052791966781
                3d
                   -2 :              -0.00155646639503
                   -1 :              -0.00026038301470
                   +0 :               0.00037115718136
                   +1 :              -0.00114666107995
                   +2 :              -0.00082367120005
              5 vec=     2.803193    -10.359920      5.671873   |vec|=   12.139027
                2s
                   +0 :               0.00017166383896
                2p
                   -1 :              -0.00003327262109
                   +0 :               0.00002552463704
                   +1 :              -0.00013383839654
                3s
                   +0 :               0.00024179443065
                4s
                   +0 :               0.00004480189102
                3p
                   -1 :              -0.00038375552254
                   +0 :              -0.00019651935612
                   +1 :               0.00096057264335
                4p
                   -1 :               0.00008589228516
                   +0 :               0.00018838179064
                   +1 :              -0.00034824196589
                3d
                   -2 :              -0.00020226653261
                   -1 :               0.00011461178846
                   +0 :              -0.00001188874488
                   +1 :               0.00010571408817
                   +2 :              -0.00007982480479
              6 vec=    10.583355      3.115717      5.671873   |vec|=   12.405049
                2s
                   +0 :               0.00004609909406
                2p
                   -1 :              -0.00013701972775
                   +0 :               0.00000403340252
                   +1 :               0.00006695378901
                3s
                   +0 :               0.00053702316230
                4s
                   +0 :               0.00013508750354
                3p
                   -1 :               0.00102131692849
                   +0 :               0.00012350982027
                   +1 :               0.00003253096632
                4p
                   -1 :              -0.00019038384871
                   +0 :               0.00000507068043
                   +1 :               0.00012542075917
                3d
                   -2 :               0.00017456458206
                   -1 :               0.00010039946894
                   +0 :              -0.00004690032971
                   +1 :              -0.00017582329444
                   +2 :              -0.00000109001408
              7 vec=    10.583355     -5.868041      5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00008855387178
                2p
                   -1 :               0.00010004715375
                   +0 :              -0.00000457300819
                   +1 :              -0.00006114285972
                3s
                   +0 :              -0.00017965651713
                4s
                   +0 :               0.00008973666665
                3p
                   -1 :              -0.00042225098246
                   +0 :               0.00038857387034
                   +1 :               0.00064215406718
                4p
                   -1 :               0.00004064809469
                   +0 :              -0.00012507775582
                   +1 :              -0.00007722505274
                3d
                   -2 :              -0.00040161784357
                   -1 :              -0.00019784897147
                   +0 :               0.00008654482449
                   +1 :               0.00013338100339
                   +2 :              -0.00014589053525
              8 vec=   -12.757133     -1.376162      5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00059807442173
                2p
                   -1 :              -0.00023605870575
                   +0 :              -0.00005147665538
                   +1 :               0.00019537177305
                3s
                   +0 :               0.00295958890263
                4s
                   +0 :              -0.00018120912334
                3p
                   -1 :               0.00180508531276
                   +0 :               0.00018626297164
                   +1 :              -0.00103848132729
                4p
                   -1 :              -0.00024008877740
                   +0 :               0.00003951646649
                   +1 :              -0.00007307441950
                3d
                   -2 :              -0.00039015956583
                   -1 :               0.00017937165692
                   +0 :              -0.00018816313143
                   +1 :              -0.00009589425233
                   +2 :              -0.00010251866339
              9 vec=    -4.976970     12.099475      5.671873   |vec|=   14.259652
                2s
                   +0 :               0.00010174725243
                2p
                   -1 :              -0.00001538628290
                   +0 :               0.00001095078120
                   +1 :              -0.00001540371141
                3s
                   +0 :              -0.00024000742262
                4s
                   +0 :               0.00017417203943
                3p
                   -1 :              -0.00011932802204
                   +0 :              -0.00002809237936
                   +1 :              -0.00000827243106
                4p
                   -1 :               0.00006324894549
                   +0 :               0.00006581697782
                   +1 :               0.00001556819586
                3d
                   -2 :              -0.00011354071981
                   -1 :               0.00004952516026
                   +0 :               0.00002341305775
                   +1 :              -0.00007645577652
                   +2 :               0.00006133852539
             10 vec=   -12.757133      7.607596      5.671873   |vec|=   15.899374
                2s
                   +0 :              -0.00010377315146
                2p
                   -1 :              -0.00003048185242
                   +0 :               0.00002165902873
                   +1 :               0.00005723045884
                3s
                   +0 :               0.00014136184470
                4s
                   +0 :              -0.00010690023399
                3p
                   -1 :               0.00011591521911
                   +0 :              -0.00023907211743
                   +1 :              -0.00017088028721
                4p
                   -1 :              -0.00003196154008
                   +0 :               0.00009161254504
                   +1 :               0.00006752629780
                3d
                   -2 :              -0.00001297203832
                   -1 :              -0.00001205983373
                   +0 :              -0.00002834162074
                   +1 :              -0.00002213202968
                   +2 :               0.00003229094016
             11 vec=    -4.976970    -14.851799      5.671873   |vec|=   16.658821
                2s
                   +0 :              -0.00004812688885
                2p
                   -1 :               0.00005160037435
                   +0 :              -0.00004889961012
                   +1 :              -0.00000033446779
                3s
                   +0 :               0.00000616285596
                4s
                   +0 :               0.00000079425537
                3p
                   -1 :              -0.00018572709109
                   +0 :               0.00020378497346
                   +1 :               0.00004463976718
                4p
                   -1 :               0.00003315972172
                   +0 :              -0.00002069382983
                   +1 :              -0.00001259192509
                3d
                   -2 :              -0.00000007964256
                   -1 :              -0.00007585596834
                   +0 :               0.00000441183688
                   +1 :              -0.00003065305115
                   +2 :              -0.00004894197453
             12 vec=    10.583355     12.099475      5.671873   |vec|=   17.046256
                2s
                   +0 :               0.00004943909144
                2p
                   -1 :              -0.00002970319293
                   +0 :               0.00000299976227
                   +1 :               0.00004245125198
                3s
                   +0 :              -0.00027659804911
                4s
                   +0 :               0.00004267269724
                3p
                   -1 :               0.00014988646169
                   +0 :               0.00003147113186
                   +1 :              -0.00037579338549
                4p
                   -1 :              -0.00003780380738
                   +0 :              -0.00001346965127
                   +1 :               0.00006176334607
                3d
                   -2 :              -0.00001289240870
                   -1 :               0.00003198783512
                   +0 :               0.00003965686960
                   +1 :              -0.00002389858502
                   +2 :              -0.00008214285633
             13 vec=   -12.757133    -10.359920      5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00005203793666
                2p
                   -1 :               0.00000695635556
                   +0 :              -0.00002765811618
                   +1 :              -0.00002589072880
                3s
                   +0 :               0.00031450290131
                4s
                   +0 :              -0.00000462529266
                3p
                   -1 :              -0.00000281884142
                   +0 :               0.00013065329794
                   +1 :               0.00017710829763
                4p
                   -1 :              -0.00000495709216
                   +0 :              -0.00000654220669
                   +1 :              -0.00004653498472
                3d
                   -2 :              -0.00005451491173
                   -1 :              -0.00002070231494
                   +0 :              -0.00003820069179
                   +1 :               0.00001848062058
                   +2 :              -0.00003407241120
             14 vec=     2.803193     16.591354      5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00004823349332
                2p
                   -1 :               0.00002247161039
                   +0 :               0.00000483437296
                   +1 :               0.00002549693911
                3s
                   +0 :              -0.00017487605730
                4s
                   +0 :               0.00004895413432
                3p
                   -1 :              -0.00012133595821
                   +0 :               0.00000917288257
                   +1 :              -0.00006651069743
                4p
                   -1 :               0.00001719948761
                   +0 :              -0.00000139425296
                   +1 :               0.00001086106940
                3d
                   -2 :              -0.00003219168501
                   -1 :              -0.00001161143182
                   +0 :               0.00003956911793
                   +1 :               0.00000302171887
                   +2 :               0.00003635218554
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al( 11)  npairs=  13
              1 vec=     2.803193     -1.376162     -6.601898   |vec|=    7.303202
                2s
                   +0 :              -0.00256090941718
                2p
                   -1 :               0.00036947522874
                   +0 :               0.00155344074379
                   +1 :              -0.00040530290953
                3s
                   +0 :               0.00865563602946
                4s
                   +0 :              -0.00368778927009
                3p
                   -1 :              -0.00537605226108
                   +0 :              -0.00313696957685
                   +1 :               0.00044937143219
                4p
                   -1 :               0.00100001728993
                   +0 :               0.00163743918378
                   +1 :              -0.00050263831959
                3d
                   -2 :               0.00019872629448
                   -1 :               0.00035568473154
                   +0 :              -0.00078501831918
                   +1 :               0.00120846316585
                   +2 :              -0.00000166337107
              2 vec=    -4.976970      3.115717     -6.601898   |vec|=    8.835326
                2s
                   +0 :               0.00112382456192
                2p
                   -1 :              -0.00059477282721
                   +0 :              -0.00026261215302
                   +1 :              -0.00002205264814
                3s
                   +0 :              -0.01157448409303
                4s
                   +0 :               0.00032811142099
                3p
                   -1 :               0.00102551455305
                   +0 :               0.00657386336930
                   +1 :               0.00409126969837
                4p
                   -1 :              -0.00150066800464
                   +0 :              -0.00005125376907
                   +1 :               0.00041878426349
                3d
                   -2 :               0.00055519014537
                   -1 :               0.00070031327557
                   +0 :              -0.00055544853650
                   +1 :              -0.00205747651596
                   +2 :              -0.00165462828970
              3 vec=    -4.976970     -5.868041     -6.601898   |vec|=   10.138500
                2s
                   +0 :               0.00109163051973
                2p
                   -1 :              -0.00052730368852
                   +0 :              -0.00019278129524
                   +1 :              -0.00078234696685
                3s
                   +0 :              -0.00606870297220
                4s
                   +0 :               0.00282925423335
                3p
                   -1 :               0.00328110790795
                   +0 :               0.00237918990832
                   +1 :               0.00495545835614
                4p
                   -1 :              -0.00136011602586
                   +0 :              -0.00088583996648
                   +1 :              -0.00153191326957
                3d
                   -2 :              -0.00103099337805
                   -1 :              -0.00033343087547
                   +0 :               0.00023283704042
                   +1 :              -0.00084819255759
                   +2 :               0.00000681908954
              4 vec=     2.803193      7.607596     -6.601898   |vec|=   10.455547
                2s
                   +0 :              -0.00049005478570
                2p
                   -1 :               0.00005749166390
                   +0 :               0.00021328989942
                   +1 :               0.00004994805523
                3s
                   +0 :               0.00184900965579
                4s
                   +0 :              -0.00029744407411
                3p
                   -1 :              -0.00058458231809
                   +0 :              -0.00041729864229
                   +1 :              -0.00098921265045
                4p
                   -1 :               0.00034780759648
                   +0 :               0.00010390925522
                   +1 :               0.00011134172363
                3d
                   -2 :              -0.00003620127804
                   -1 :               0.00016098674451
                   +0 :               0.00033770416883
                   +1 :               0.00057408838812
                   +2 :               0.00021496008926
              5 vec=     2.803193    -10.359920     -6.601898   |vec|=   12.600432
                2s
                   +0 :              -0.00027525602247
                2p
                   -1 :               0.00001997151811
                   +0 :               0.00024935101162
                   +1 :               0.00012450731912
                3s
                   +0 :               0.00186283558591
                4s
                   +0 :              -0.00073098849993
                3p
                   -1 :              -0.00067545950814
                   +0 :              -0.00176691182197
                   +1 :              -0.00074178862745
                4p
                   -1 :               0.00013147491100
                   +0 :               0.00044629997984
                   +1 :               0.00023559075288
                3d
                   -2 :              -0.00001017690961
                   -1 :               0.00036856047799
                   +0 :               0.00020815769384
                   +1 :               0.00003325935213
                   +2 :              -0.00006321410429
              6 vec=    10.583355      3.115717     -6.601898   |vec|=   12.856911
                2s
                   +0 :              -0.00019234954242
                2p
                   -1 :               0.00005071390283
                   +0 :              -0.00006611244577
                   +1 :               0.00007059739104
                3s
                   +0 :               0.00189365543244
                4s
                   +0 :              -0.00018920056417
                3p
                   -1 :              -0.00000358647286
                   +0 :              -0.00049188998117
                   +1 :               0.00008784386312
                4p
                   -1 :               0.00018975923031
                   +0 :               0.00005260098856
                   +1 :               0.00010035936516
                3d
                   -2 :               0.00010266004546
                   -1 :              -0.00009352486842
                   +0 :               0.00002553219173
                   +1 :              -0.00008620436488
                   +2 :               0.00013588991250
              7 vec=    10.583355     -5.868041     -6.601898   |vec|=   13.785005
                2s
                   +0 :              -0.00006219404548
                2p
                   -1 :              -0.00006564271895
                   +0 :              -0.00003549211484
                   +1 :              -0.00017916783501
                3s
                   +0 :               0.00098334830245
                4s
                   +0 :              -0.00056405920864
                3p
                   -1 :              -0.00021114720206
                   +0 :              -0.00002340118191
                   +1 :               0.00131879517086
                4p
                   -1 :               0.00022788941917
                   +0 :               0.00012075232968
                   +1 :              -0.00050299457816
                3d
                   -2 :              -0.00016828230802
                   -1 :               0.00009222341582
                   +0 :              -0.00001360505460
                   +1 :               0.00003567665489
                   +2 :               0.00000705681983
              8 vec=   -12.757133     -1.376162     -6.601898   |vec|=   14.429945
                2s
                   +0 :               0.00024836159935
                2p
                   -1 :               0.00005342363915
                   +0 :              -0.00016640679350
                   +1 :              -0.00003343733520
                3s
                   +0 :              -0.00136643031231
                4s
                   +0 :               0.00033177802372
                3p
                   -1 :              -0.00018164241538
                   +0 :               0.00088629112436
                   +1 :               0.00027013173731
                4p
                   -1 :               0.00012616049164
                   +0 :              -0.00016511175499
                   +1 :              -0.00005404820578
                3d
                   -2 :               0.00003776446669
                   -1 :               0.00004734162080
                   +0 :              -0.00004591515580
                   +1 :              -0.00007722831285
                   +2 :               0.00003885995330
              9 vec=    -4.976970     12.099475     -6.601898   |vec|=   14.654439
                2s
                   +0 :              -0.00002600043270
                2p
                   -1 :              -0.00001271796765
                   +0 :               0.00004124873293
                   +1 :               0.00003725754498
                3s
                   +0 :              -0.00003415612312
                4s
                   +0 :              -0.00000874626490
                3p
                   -1 :               0.00003095614582
                   +0 :              -0.00023091525500
                   +1 :              -0.00015004701470
                4p
                   -1 :              -0.00001011934829
                   +0 :               0.00005332584579
                   +1 :               0.00003283767726
                3d
                   -2 :               0.00000964203017
                   -1 :               0.00000914747164
                   +0 :               0.00002425060446
                   +1 :               0.00005352505805
                   +2 :              -0.00001544576271
             10 vec=   -12.757133      7.607596     -6.601898   |vec|=   16.254384
                2s
                   +0 :               0.00014083154168
                2p
                   -1 :               0.00003246134885
                   +0 :              -0.00006652028754
                   +1 :              -0.00003157983546
                3s
                   +0 :              -0.00064445900197
                4s
                   +0 :               0.00009607881873
                3p
                   -1 :              -0.00017367281604
                   +0 :               0.00033664293468
                   +1 :               0.00009515105827
                4p
                   -1 :               0.00003344412954
                   +0 :              -0.00005485847753
                   +1 :               0.00002604342848
                3d
                   -2 :              -0.00000029160822
                   -1 :               0.00003046735172
                   +0 :              -0.00003847148980
                   +1 :              -0.00007321357333
                   +2 :              -0.00000151704078
             11 vec=    -4.976970    -14.851799     -6.601898   |vec|=   16.997977
                2s
                   +0 :               0.00000840562435
                2p
                   -1 :               0.00002632646520
                   +0 :               0.00001745225304
                   +1 :              -0.00001070983345
                3s
                   +0 :              -0.00020990387846
                4s
                   +0 :               0.00001230670340
                3p
                   -1 :              -0.00007523132508
                   +0 :              -0.00000312511614
                   +1 :               0.00004287814556
                4p
                   -1 :               0.00003946244041
                   +0 :               0.00000648669580
                   +1 :              -0.00001524703826
                3d
                   -2 :              -0.00006384752417
                   -1 :              -0.00000302544230
                   +0 :              -0.00001764699597
                   +1 :              -0.00001798547828
                   +2 :               0.00002300286491
             12 vec=    10.583355     12.099475     -6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00010253977956
                2p
                   -1 :               0.00000025985855
                   +0 :               0.00004142124315
                   +1 :              -0.00001644908603
                3s
                   +0 :               0.00052147136129
                4s
                   +0 :              -0.00011670145226
                3p
                   -1 :               0.00000206766975
                   +0 :              -0.00025537146477
                   +1 :               0.00008205308441
                4p
                   -1 :               0.00001379631053
                   +0 :               0.00004806870273
                   +1 :              -0.00001739764053
                3d
                   -2 :              -0.00001222625224
                   -1 :              -0.00001826322966
                   +0 :               0.00003942461043
                   +1 :              -0.00004952181744
                   +2 :               0.00004111614999
             13 vec=   -12.757133    -10.359920     -6.601898   |vec|=   17.710376
                2s
                   +0 :               0.00004906661954
                2p
                   -1 :               0.00001818110277
                   +0 :               0.00000827489207
                   +1 :              -0.00002567366892
                3s
                   +0 :              -0.00032124781913
                4s
                   +0 :               0.00010416460165
                3p
                   -1 :              -0.00009856463514
                   +0 :              -0.00000989217820
                   +1 :               0.00020996816772
                4p
                   -1 :               0.00003617944761
                   +0 :              -0.00001130481185
                   +1 :              -0.00007490137408
                3d
                   -2 :              -0.00001233810281
                   -1 :               0.00002740596763
                   +0 :              -0.00002878852310
                   +1 :               0.00002714602133
                   +2 :              -0.00001163851379
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site Al( 12)  npairs=  15
              1 vec=     2.803193     -1.376162     10.693319   |vec|=   11.139963
                2s
                   +0 :               0.00053518396352
                2p
                   -1 :              -0.00017785972833
                   +0 :               0.00018661626235
                   +1 :               0.00014966314529
                3s
                   +0 :              -0.00119311408367
                4s
                   +0 :               0.00030668898854
                3p
                   -1 :               0.00076178120039
                   +0 :              -0.00070457784951
                   +1 :              -0.00113761056052
                4p
                   -1 :              -0.00014553281091
                   +0 :               0.00025246446873
                   +1 :               0.00020663185862
                3d
                   -2 :              -0.00003582329853
                   -1 :               0.00019797696572
                   +0 :               0.00025206802308
                   +1 :              -0.00024221258452
                   +2 :              -0.00002757358269
              2 vec=    -4.976970      3.115717     10.693319   |vec|=   12.199385
                2s
                   +0 :              -0.00037943682574
                2p
                   -1 :              -0.00005891213150
                   +0 :              -0.00012419842762
                   +1 :               0.00017797755826
                3s
                   +0 :               0.00066084862272
                4s
                   +0 :              -0.00007302877595
                3p
                   -1 :               0.00021124871234
                   +0 :               0.00020034852516
                   +1 :              -0.00084424982588
                4p
                   -1 :               0.00007819292111
                   +0 :               0.00006407556489
                   +1 :               0.00020977519401
                3d
                   -2 :              -0.00010338649081
                   -1 :               0.00010808458974
                   +0 :              -0.00002031143492
                   +1 :              -0.00014095828766
                   +2 :               0.00006822300127
              3 vec=    -4.976970     -5.868041     10.693319   |vec|=   13.173883
                2s
                   +0 :               0.00035667295450
                2p
                   -1 :              -0.00026450763336
                   +0 :               0.00017213220598
                   +1 :              -0.00002581902468
                3s
                   +0 :              -0.00049985221352
                4s
                   +0 :               0.00015587919246
                3p
                   -1 :               0.00106830366925
                   +0 :              -0.00037860472915
                   +1 :              -0.00039817770948
                4p
                   -1 :              -0.00026301040830
                   +0 :               0.00008124403566
                   +1 :               0.00020258039930
                3d
                   -2 :              -0.00000245797922
                   -1 :               0.00017232940555
                   +0 :               0.00000035428102
                   +1 :              -0.00005090827451
                   +2 :               0.00018580878880
              4 vec=     2.803193      7.607596     10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00019335796588
                2p
                   -1 :               0.00017959541947
                   +0 :               0.00013487799550
                   +1 :              -0.00007922165621
                3s
                   +0 :               0.00004368318858
                4s
                   +0 :               0.00001915052919
                3p
                   -1 :              -0.00028332082142
                   +0 :               0.00006959543763
                   +1 :               0.00049335619020
                4p
                   -1 :               0.00012523424325
                   +0 :               0.00006770582315
                   +1 :              -0.00016478394069
                3d
                   -2 :               0.00009627675443
                   -1 :               0.00004667162259
                   +0 :               0.00006001428185
                   +1 :               0.00008293080315
                   +2 :              -0.00010511891769
              5 vec=     2.803193     -1.376162    -13.854224   |vec|=   14.201804
                2s
                   +0 :               0.00013765622125
                2p
                   -1 :              -0.00000393059362
                   +0 :              -0.00002428816151
                   +1 :               0.00004706897068
                3s
                   +0 :              -0.00025240226269
                4s
                   +0 :               0.00004742010546
                3p
                   -1 :               0.00002745946136
                   +0 :               0.00005333693689
                   +1 :              -0.00016340779581
                4p
                   -1 :              -0.00001323328899
                   +0 :               0.00001468945880
                   +1 :               0.00000556887930
                3d
                   -2 :              -0.00000290078592
                   -1 :               0.00001903223216
                   +0 :               0.00000921474965
                   +1 :              -0.00001484120418
                   +2 :              -0.00000668820329
              6 vec=    -4.976970      3.115717    -13.854224   |vec|=   15.047174
                2s
                   +0 :              -0.00002369926038
                2p
                   -1 :              -0.00003743463550
                   +0 :              -0.00004091844676
                   +1 :               0.00003699071093
                3s
                   +0 :               0.00005007778197
                4s
                   +0 :               0.00004165105098
                3p
                   -1 :               0.00028332767155
                   +0 :               0.00022392549962
                   +1 :              -0.00028246518221
                4p
                   -1 :              -0.00004704612342
                   +0 :              -0.00008933579724
                   +1 :               0.00001555142876
                3d
                   -2 :              -0.00005865676109
                   -1 :               0.00000614023381
                   +0 :              -0.00003625953565
                   +1 :              -0.00000949433326
                   +2 :               0.00001804957863
              7 vec=     2.803193    -10.359920     10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00004506992548
                2p
                   -1 :              -0.00005722296351
                   +0 :               0.00005741476153
                   +1 :              -0.00000477529009
                3s
                   +0 :              -0.00037562616324
                4s
                   +0 :               0.00022471017776
                3p
                   -1 :               0.00045408531543
                   +0 :              -0.00041561057111
                   +1 :               0.00000291273518
                4p
                   -1 :              -0.00016160728611
                   +0 :               0.00012958129452
                   +1 :              -0.00001454307555
                3d
                   -2 :               0.00002525350801
                   -1 :               0.00009591050996
                   +0 :              -0.00010773350986
                   +1 :               0.00000029074701
                   +2 :               0.00009667988028
              8 vec=    10.583355      3.115717     10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00002033462246
                2p
                   -1 :               0.00003273149835
                   +0 :               0.00003821306599
                   +1 :               0.00001782755847
                3s
                   +0 :              -0.00018309579532
                4s
                   +0 :               0.00008679678521
                3p
                   -1 :              -0.00031378547820
                   +0 :              -0.00030300967977
                   +1 :              -0.00015840012613
                4p
                   -1 :               0.00006888421854
                   +0 :               0.00007947217021
                   +1 :               0.00008297998359
                3d
                   -2 :              -0.00005758984283
                   -1 :              -0.00004978980917
                   +0 :              -0.00001686270571
                   +1 :              -0.00003891252381
                   +2 :              -0.00000360700701
              9 vec=    -4.976970     -5.868041    -13.854224   |vec|=   15.847513
                2s
                   +0 :              -0.00006173667980
                2p
                   -1 :               0.00002307757900
                   +0 :               0.00005183331142
                   +1 :               0.00000767037589
                3s
                   +0 :               0.00003182462117
                4s
                   +0 :              -0.00004719636843
                3p
                   -1 :               0.00004251482943
                   +0 :              -0.00023625457384
                   +1 :               0.00001008631752
                4p
                   -1 :               0.00001980312442
                   +0 :               0.00006331298680
                   +1 :              -0.00003179617812
                3d
                   -2 :               0.00002224717009
                   -1 :              -0.00002362048277
                   +0 :               0.00005377604471
                   +1 :               0.00000820646920
                   +2 :               0.00007084173240
             10 vec=     2.803193      7.607596    -13.854224   |vec|=   16.052194
                2s
                   +0 :              -0.00006154125537
                2p
                   -1 :              -0.00002203576054
                   +0 :               0.00002565493732
                   +1 :               0.00002069041017
                3s
                   +0 :               0.00007070913010
                4s
                   +0 :              -0.00006671687181
                3p
                   -1 :              -0.00003879047256
                   +0 :              -0.00010807688537
                   +1 :              -0.00031313023272
                4p
                   -1 :               0.00002506849741
                   +0 :               0.00002986713222
                   +1 :               0.00003477246615
                3d
                   -2 :              -0.00001712208592
                   -1 :              -0.00001443768992
                   +0 :               0.00007743708506
                   +1 :               0.00001724539237
                   +2 :              -0.00002487544724
             11 vec=    10.583355     -5.868041     10.693319   |vec|=   16.148943
                2s
                   +0 :               0.00025564489680
                2p
                   -1 :              -0.00000309593321
                   +0 :               0.00008335872085
                   +1 :               0.00008364431672
                3s
                   +0 :              -0.00064746373014
                4s
                   +0 :               0.00021676899494
                3p
                   -1 :              -0.00011291257929
                   +0 :              -0.00026643993149
                   +1 :              -0.00011737462294
                4p
                   -1 :               0.00003854727715
                   +0 :               0.00007367885043
                   +1 :               0.00003660816073
                3d
                   -2 :              -0.00004851196524
                   -1 :              -0.00001304827903
                   +0 :               0.00000774476003
                   +1 :              -0.00001132941940
                   +2 :              -0.00009359074593
             12 vec=   -12.757133     -1.376162     10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00009904404561
                2p
                   -1 :              -0.00003345254885
                   +0 :              -0.00005070822862
                   +1 :               0.00000387379083
                3s
                   +0 :               0.00035888417546
                4s
                   +0 :              -0.00015891526067
                3p
                   -1 :               0.00033799465249
                   +0 :               0.00016008886190
                   +1 :               0.00005722151938
                4p
                   -1 :              -0.00003759438366
                   +0 :              -0.00006001892364
                   +1 :               0.00002325242390
                3d
                   -2 :              -0.00003132800569
                   -1 :               0.00005747758772
                   +0 :              -0.00001874422006
                   +1 :               0.00001415683689
                   +2 :              -0.00002848007648
             13 vec=    -4.976970     12.099475     10.693319   |vec|=   16.897177
                2s
                   +0 :               0.00003540722034
                2p
                   -1 :               0.00004605047812
                   +0 :               0.00000914288215
                   +1 :              -0.00002492911098
                3s
                   +0 :              -0.00014210577886
                4s
                   +0 :               0.00004582820423
                3p
                   -1 :              -0.00026268282229
                   +0 :               0.00000016263104
                   +1 :               0.00019579765494
                4p
                   -1 :               0.00006420912555
                   +0 :               0.00001232592925
                   +1 :              -0.00007301050168
                3d
                   -2 :               0.00006863076775
                   -1 :              -0.00002675244942
                   +0 :              -0.00002539677843
                   +1 :               0.00001452580886
                   +2 :               0.00001069681579
             14 vec=     2.803193    -10.359920    -13.854224   |vec|=   17.524992
                2s
                   +0 :              -0.00007718000333
                2p
                   -1 :               0.00004484843679
                   +0 :              -0.00000018393326
                   +1 :               0.00000894401881
                3s
                   +0 :               0.00016752057444
                4s
                   +0 :              -0.00004154615160
                3p
                   -1 :              -0.00015531164973
                   +0 :               0.00004588775743
                   +1 :              -0.00005699457999
                4p
                   -1 :               0.00003603622553
                   +0 :              -0.00003254776214
                   +1 :               0.00001984601482
                3d
                   -2 :               0.00003771286417
                   -1 :               0.00001114925310
                   +0 :              -0.00002222153100
                   +1 :               0.00000142676110
                   +2 :              -0.00000451764600
             15 vec=    10.583355      3.115717    -13.854224   |vec|=   17.710297
                2s
                   +0 :               0.00005824149708
                2p
                   -1 :               0.00002540524930
                   +0 :              -0.00001012656951
                   +1 :               0.00005396087504
                3s
                   +0 :               0.00001795264670
                4s
                   +0 :               0.00001188852364
                3p
                   -1 :              -0.00008753304229
                   +0 :              -0.00002501668601
                   +1 :              -0.00014516928226
                4p
                   -1 :               0.00000669894819
                   +0 :               0.00002278455083
                   +1 :               0.00004357466252
                3d
                   -2 :              -0.00002224069379
                   -1 :               0.00003022889080
                   +0 :              -0.00000229630493
                   +1 :               0.00001162161516
                   +2 :              -0.00000589779416
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 13)  npairs=  14
              1 vec=     2.593647      1.739405      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00189982074965
                2s
                   +0 :               0.03312468996406
                3s
                   +0 :              -0.00375660875769
                2p
                   -1 :               0.00679548991728
                   +0 :               0.01245785988118
                   +1 :               0.01078621616576
                3p
                   -1 :               0.00006739936110
                   +0 :               0.00237353457769
                   +1 :              -0.00519977017473
                3d
                   -2 :               0.00028364835396
                   -1 :               0.00134240507788
                   +0 :               0.00052770630763
                   +1 :               0.00023168545664
                   +2 :              -0.00085971810291
              2 vec=    -5.186516     -2.752474      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00155067868005
                2s
                   +0 :              -0.01031917862324
                3s
                   +0 :               0.00462103153203
                2p
                   -1 :               0.00263293538927
                   +0 :               0.00003487394220
                   +1 :               0.00973786471881
                3p
                   -1 :              -0.00169133120556
                   +0 :              -0.00092455420620
                   +1 :              -0.00708382014173
                3d
                   -2 :               0.00044172477860
                   -1 :               0.00007841635795
                   +0 :              -0.00044895551349
                   +1 :              -0.00034811189484
                   +2 :               0.00028488873475
              3 vec=     2.593647     -7.244353      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00019395519908
                2s
                   +0 :              -0.00059610693164
                3s
                   +0 :               0.00060617107807
                2p
                   -1 :               0.00007767155935
                   +0 :               0.00162463517616
                   +1 :              -0.00032642725229
                3p
                   -1 :              -0.00034115435626
                   +0 :              -0.00048628491390
                   +1 :              -0.00052130506971
                3d
                   -2 :               0.00019091863990
                   -1 :              -0.00019158408477
                   +0 :               0.00018191004890
                   +1 :              -0.00012265234858
                   +2 :              -0.00013504869172
              4 vec=    -5.186516      6.231284      4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00014934656790
                2s
                   +0 :              -0.00052950092114
                3s
                   +0 :               0.00039009691979
                2p
                   -1 :              -0.00357458181856
                   +0 :              -0.00076492734177
                   +1 :               0.00177141395441
                3p
                   -1 :               0.00233321041404
                   +0 :               0.00051696946661
                   +1 :              -0.00143528077104
                3d
                   -2 :              -0.00004880491824
                   -1 :               0.00003948749125
                   +0 :               0.00001140817449
                   +1 :              -0.00002471459804
                   +2 :               0.00001090399630
              5 vec=    10.373810     -2.752474      4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00017265920466
                2s
                   +0 :               0.00075245758086
                3s
                   +0 :              -0.00080866555943
                2p
                   -1 :              -0.00042550140243
                   +0 :              -0.00049060852001
                   +1 :               0.00120287310564
                3p
                   -1 :               0.00001565881625
                   +0 :               0.00047093487037
                   +1 :              -0.00121050650360
                3d
                   -2 :               0.00004766057584
                   -1 :              -0.00004227284800
                   +0 :               0.00004486780774
                   +1 :              -0.00009183169816
                   +2 :              -0.00019286349200
              6 vec=     2.593647     10.723163      4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00011378612709
                2s
                   +0 :              -0.00147631431301
                3s
                   +0 :               0.00023400147890
                2p
                   -1 :              -0.00133349956104
                   +0 :               0.00046299780199
                   +1 :              -0.00057439796137
                3p
                   -1 :               0.00034390667948
                   +0 :              -0.00013962706829
                   +1 :               0.00039951056160
                3d
                   -2 :              -0.00000425062328
                   -1 :               0.00000160352820
                   +0 :              -0.00000211098389
                   +1 :              -0.00000306495344
                   +2 :               0.00002756233999
              7 vec=    10.373810      6.231284      4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00006475420484
                2s
                   +0 :               0.00090189719366
                3s
                   +0 :              -0.00012274063537
                2p
                   -1 :              -0.00037232987826
                   +0 :               0.00041884686601
                   +1 :               0.00057923229321
                3p
                   -1 :               0.00038231404563
                   +0 :              -0.00006617322439
                   +1 :              -0.00033901940184
                3d
                   -2 :               0.00003940337325
                   -1 :               0.00000272280108
                   +0 :               0.00002462302025
                   +1 :               0.00002871518670
                   +2 :              -0.00002473676173
              8 vec=    -5.186516    -11.736232      4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00004538351202
                2s
                   +0 :              -0.00046981207064
                3s
                   +0 :               0.00008526886524
                2p
                   -1 :               0.00043760710575
                   +0 :              -0.00035940979420
                   +1 :              -0.00041330073551
                3p
                   -1 :              -0.00037948867639
                   +0 :               0.00009058157511
                   +1 :               0.00023805652374
                3d
                   -2 :               0.00000381112030
                   -1 :               0.00001704422732
                   +0 :              -0.00000255356593
                   +1 :              -0.00001100380683
                   +2 :              -0.00002222433517
              9 vec=   -12.966678      1.739405      4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00007062352610
                2s
                   +0 :              -0.00063065717693
                3s
                   +0 :               0.00011063626179
                2p
                   -1 :               0.00021281443095
                   +0 :              -0.00022144519855
                   +1 :               0.00001280640095
                3p
                   -1 :              -0.00007355305210
                   +0 :              -0.00015628894945
                   +1 :               0.00013176302547
                3d
                   -2 :              -0.00000210058186
                   -1 :              -0.00003400581996
                   +0 :              -0.00001365941869
                   +1 :              -0.00001141971533
                   +2 :              -0.00000524167222
             10 vec=   -12.966678     -7.244353      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00000754936297
                2s
                   +0 :              -0.00002045872878
                3s
                   +0 :               0.00006792106399
                2p
                   -1 :               0.00003425496948
                   +0 :              -0.00022791131299
                   +1 :               0.00008692895239
                3p
                   -1 :              -0.00015865757589
                   +0 :               0.00006861361464
                   +1 :              -0.00004464192286
                3d
                   -2 :              -0.00000372947368
                   -1 :               0.00002029482697
                   +0 :              -0.00000662502728
                   +1 :               0.00000085156297
                   +2 :              -0.00001934958029
             11 vec=    10.373810    -11.736232      4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00000868684159
                2s
                   +0 :               0.00004435259254
                3s
                   +0 :              -0.00018434016115
                2p
                   -1 :              -0.00014811644158
                   +0 :              -0.00004991074361
                   +1 :               0.00026833592636
                3p
                   -1 :               0.00020199767876
                   +0 :              -0.00009858149870
                   +1 :              -0.00029052029504
                3d
                   -2 :               0.00005222207382
                   -1 :               0.00005359909746
                   +0 :              -0.00002178331862
                   +1 :              -0.00007204485506
                   +2 :              -0.00002165867923
             12 vec=    -5.186516     15.215042      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00001673493902
                2s
                   +0 :              -0.00007847794520
                3s
                   +0 :               0.00006266457738
                2p
                   -1 :               0.00004279714810
                   +0 :              -0.00001585468815
                   +1 :              -0.00000419190286
                3p
                   -1 :               0.00002807616589
                   +0 :              -0.00000784285784
                   +1 :              -0.00003078010546
                3d
                   -2 :              -0.00001107936047
                   -1 :              -0.00000105063412
                   +0 :              -0.00001346976654
                   +1 :              -0.00000265370224
                   +2 :              -0.00000547418449
             13 vec=     2.593647    -16.228111      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000213925270
                2s
                   +0 :               0.00008599432990
                3s
                   +0 :               0.00001662587035
                2p
                   -1 :              -0.00001503224691
                   +0 :               0.00011894763989
                   +1 :               0.00000799315218
                3p
                   -1 :              -0.00001702371426
                   +0 :              -0.00003789654055
                   +1 :               0.00000873343724
                3d
                   -2 :              -0.00000093277797
                   -1 :               0.00000030977961
                   +0 :               0.00000535084803
                   +1 :               0.00000863291557
                   +2 :               0.00000036740209
             14 vec=   -12.966678     10.723163      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00001077093488
                2s
                   +0 :              -0.00012772552098
                3s
                   +0 :               0.00000051420749
                2p
                   -1 :              -0.00007951456705
                   +0 :              -0.00000169980991
                   +1 :              -0.00008667110317
                3p
                   -1 :              -0.00000564586434
                   +0 :              -0.00002810991778
                   +1 :               0.00011012158085
                3d
                   -2 :               0.00000577480243
                   -1 :              -0.00000127754730
                   +0 :               0.00000063190579
                   +1 :               0.00000206790738
                   +2 :              -0.00000177738206
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 14)  npairs=  14
              1 vec=    -2.174037      1.739405      4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00031590505490
                2s
                   +0 :              -0.02941475368892
                3s
                   +0 :               0.00047032070960
                2p
                   -1 :              -0.00687935856984
                   +0 :              -0.02267349401081
                   +1 :               0.00098485694700
                3p
                   -1 :              -0.00095707992621
                   +0 :               0.00525568621641
                   +1 :               0.00210834586942
                3d
                   -2 :               0.00066861368325
                   -1 :              -0.00049289489001
                   +0 :               0.00021007134950
                   +1 :              -0.00065530549577
                   +2 :               0.00088746033111
              2 vec=     5.606126     -2.752474      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00019066296326
                2s
                   +0 :               0.00252697607268
                3s
                   +0 :              -0.00014658238471
                2p
                   -1 :              -0.00662375914664
                   +0 :              -0.00237010610455
                   +1 :               0.00166004228943
                3p
                   -1 :               0.00410760749192
                   +0 :               0.00414051620950
                   +1 :               0.00086164147651
                3d
                   -2 :               0.00018953816184
                   -1 :              -0.00009041280100
                   +0 :               0.00039904236974
                   +1 :              -0.00022737461791
                   +2 :              -0.00027169813087
              3 vec=    -2.174037     -7.244353      4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00012772662628
                2s
                   +0 :              -0.00085983454634
                3s
                   +0 :               0.00034179980813
                2p
                   -1 :               0.00041253514638
                   +0 :              -0.00227575415503
                   +1 :              -0.00156740137689
                3p
                   -1 :              -0.00031285598905
                   +0 :               0.00056560934748
                   +1 :               0.00062235622686
                3d
                   -2 :               0.00001503068817
                   -1 :              -0.00012780937909
                   +0 :              -0.00012070012414
                   +1 :              -0.00018365116462
                   +2 :              -0.00011681003490
              4 vec=     5.606126      6.231284      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00030878149519
                2s
                   +0 :               0.00160712234554
                3s
                   +0 :              -0.00071591688843
                2p
                   -1 :               0.00147367400865
                   +0 :               0.00116337108299
                   +1 :              -0.00068587285750
                3p
                   -1 :              -0.00013105324879
                   +0 :              -0.00045938086025
                   +1 :               0.00092761037464
                3d
                   -2 :               0.00007758982774
                   -1 :              -0.00007481210142
                   +0 :              -0.00002892309436
                   +1 :               0.00003253895216
                   +2 :               0.00002468050795
              5 vec=    -9.954199     -2.752474      4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00037858490324
                2s
                   +0 :               0.00347271788569
                3s
                   +0 :              -0.00061028460221
                2p
                   -1 :               0.00027421757171
                   +0 :              -0.00122570637165
                   +1 :               0.00076080854898
                3p
                   -1 :               0.00025234312981
                   +0 :               0.00076414861834
                   +1 :              -0.00091443123060
                3d
                   -2 :               0.00008077970649
                   -1 :              -0.00008486633472
                   +0 :              -0.00006241534366
                   +1 :              -0.00028897010186
                   +2 :               0.00021354691938
              6 vec=    -2.174037     10.723163      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00016503913186
                2s
                   +0 :               0.00122066153939
                3s
                   +0 :              -0.00034452809067
                2p
                   -1 :               0.00180286776342
                   +0 :               0.00040175459761
                   +1 :               0.00025595960517
                3p
                   -1 :              -0.00095258889328
                   +0 :              -0.00038802367498
                   +1 :              -0.00027381307858
                3d
                   -2 :              -0.00003660498541
                   -1 :               0.00004896402014
                   +0 :              -0.00000016356114
                   +1 :              -0.00003672944743
                   +2 :              -0.00007193437677
              7 vec=    -9.954199      6.231284      4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00000924651039
                2s
                   +0 :              -0.00053535462454
                3s
                   +0 :              -0.00011714931801
                2p
                   -1 :              -0.00018823070817
                   +0 :              -0.00072844223236
                   +1 :               0.00021171253253
                3p
                   -1 :               0.00017552151480
                   +0 :               0.00037930744529
                   +1 :              -0.00004190609585
                3d
                   -2 :              -0.00000842248062
                   -1 :               0.00003057600767
                   +0 :               0.00001545930365
                   +1 :              -0.00002796981670
                   +2 :              -0.00001416247201
              8 vec=     5.606126    -11.736232      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00000728749552
                2s
                   +0 :               0.00033569985870
                3s
                   +0 :               0.00008035315050
                2p
                   -1 :              -0.00005452214124
                   +0 :               0.00044040456173
                   +1 :              -0.00048520446860
                3p
                   -1 :              -0.00012205479899
                   +0 :              -0.00014872750105
                   +1 :               0.00036095884736
                3d
                   -2 :              -0.00001243606141
                   -1 :              -0.00002228133119
                   +0 :               0.00000502538195
                   +1 :              -0.00002321999804
                   +2 :              -0.00001703488303
              9 vec=    13.386289      1.739405      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00009449385579
                2s
                   +0 :               0.00080906262166
                3s
                   +0 :              -0.00020760440154
                2p
                   -1 :               0.00023331260481
                   +0 :               0.00044222045224
                   +1 :               0.00063502526742
                3p
                   -1 :              -0.00028697034167
                   +0 :              -0.00019557950616
                   +1 :              -0.00037565261787
                3d
                   -2 :              -0.00003624342674
                   -1 :              -0.00003069696083
                   +0 :              -0.00000852170634
                   +1 :              -0.00000221335491
                   +2 :              -0.00001189608090
             10 vec=    13.386289     -7.244353      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00001349563846
                2s
                   +0 :              -0.00004802754836
                3s
                   +0 :               0.00001456844346
                2p
                   -1 :              -0.00003341157005
                   +0 :               0.00029191825924
                   +1 :              -0.00014897737263
                3p
                   -1 :               0.00006130492990
                   +0 :              -0.00014782492170
                   +1 :               0.00013863039194
                3d
                   -2 :              -0.00000857653420
                   -1 :               0.00000570679682
                   +0 :               0.00001437532267
                   +1 :               0.00000198094242
                   +2 :               0.00001824799869
             11 vec=    -9.954199    -11.736232      4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00003572399286
                2s
                   +0 :              -0.00016572063091
                3s
                   +0 :               0.00012279085378
                2p
                   -1 :              -0.00007153709955
                   +0 :               0.00008265858282
                   +1 :               0.00015320268421
                3p
                   -1 :               0.00003607277365
                   +0 :              -0.00003083021016
                   +1 :              -0.00012393380803
                3d
                   -2 :               0.00001894243023
                   -1 :              -0.00001658186966
                   +0 :               0.00000486176655
                   +1 :              -0.00001941225910
                   +2 :               0.00001039510700
             12 vec=     5.606126     15.215042      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00001601804264
                2s
                   +0 :              -0.00020213718662
                3s
                   +0 :               0.00000321415578
                2p
                   -1 :              -0.00016687917836
                   +0 :               0.00003623536350
                   +1 :              -0.00007299046282
                3p
                   -1 :              -0.00001383265663
                   +0 :               0.00003697565144
                   +1 :              -0.00003026921546
                3d
                   -2 :              -0.00001417157802
                   -1 :               0.00000530940501
                   +0 :               0.00001206801471
                   +1 :              -0.00001249025749
                   +2 :               0.00000584941638
             13 vec=    -2.174037    -16.228111      4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00002302000876
                2s
                   +0 :              -0.00020088572173
                3s
                   +0 :               0.00004086328506
                2p
                   -1 :               0.00005182266904
                   +0 :              -0.00009720224007
                   +1 :               0.00007391874716
                3p
                   -1 :               0.00002338807460
                   +0 :              -0.00000006488647
                   +1 :              -0.00004884026804
                3d
                   -2 :               0.00000573856124
                   -1 :               0.00000734956504
                   +0 :              -0.00000424381743
                   +1 :               0.00000138052433
                   +2 :              -0.00000080542574
             14 vec=    13.386289     10.723163      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00003049491370
                2s
                   +0 :               0.00022861762052
                3s
                   +0 :              -0.00006618761543
                2p
                   -1 :               0.00008256959267
                   +0 :               0.00004910379759
                   +1 :               0.00006302549237
                3p
                   -1 :              -0.00001654761147
                   +0 :               0.00000417049488
                   +1 :              -0.00002597526104
                3d
                   -2 :              -0.00000478763297
                   -1 :              -0.00000502090032
                   +0 :               0.00000324591663
                   +1 :               0.00000337783269
                   +2 :              -0.00000072576171
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 15)  npairs=  14
              1 vec=     0.209805     -3.115418      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00247967066845
                2s
                   +0 :               0.01498735438698
                3s
                   +0 :              -0.00579892651813
                2p
                   -1 :              -0.00498537048838
                   +0 :               0.00156275351427
                   +1 :              -0.00402664205042
                3p
                   -1 :               0.00376922253132
                   +0 :               0.00113376630596
                   +1 :              -0.00458145670878
                3d
                   -2 :               0.00090099992245
                   -1 :               0.00012694175703
                   +0 :               0.00080093954585
                   +1 :              -0.00153393718038
                   +2 :               0.00010235911793
              2 vec=     0.209805      5.868340      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00065126389302
                2s
                   +0 :              -0.00359702134560
                3s
                   +0 :               0.00105660569625
                2p
                   -1 :               0.00433596921991
                   +0 :               0.00065313210142
                   +1 :              -0.00113012094452
                3p
                   -1 :              -0.00326219052229
                   +0 :              -0.00060944282264
                   +1 :              -0.00334241334490
                3d
                   -2 :              -0.00114279090571
                   -1 :              -0.00041103034057
                   +0 :              -0.00023110664441
                   +1 :              -0.00106424816138
                   +2 :               0.00046945689972
              3 vec=    -7.570358      1.376461      4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00021655085512
                2s
                   +0 :              -0.00114543661031
                3s
                   +0 :               0.00042852893698
                2p
                   -1 :              -0.00113648181167
                   +0 :              -0.00275046831680
                   +1 :               0.00009334460719
                3p
                   -1 :               0.00035565670157
                   +0 :               0.00071815465263
                   +1 :              -0.00037776994382
                3d
                   -2 :              -0.00002869710933
                   -1 :              -0.00009538266915
                   +0 :              -0.00017734505446
                   +1 :              -0.00002625011266
                   +2 :               0.00000762802649
              4 vec=     7.989968      1.376461      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00022739237527
                2s
                   +0 :               0.00117505151085
                3s
                   +0 :              -0.00011799256752
                2p
                   -1 :               0.00129139823106
                   +0 :               0.00110272574467
                   +1 :              -0.00036447996901
                3p
                   -1 :              -0.00078670098102
                   +0 :               0.00033780527166
                   +1 :               0.00042879875392
                3d
                   -2 :               0.00005710686505
                   -1 :               0.00011534944432
                   +0 :               0.00004899013655
                   +1 :               0.00008418201265
                   +2 :               0.00018109487214
              5 vec=    -7.570358     -7.607297      4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00019809239177
                2s
                   +0 :               0.00078877079401
                3s
                   +0 :              -0.00074082010251
                2p
                   -1 :              -0.00114423699199
                   +0 :              -0.00057595970407
                   +1 :              -0.00011639949652
                3p
                   -1 :               0.00122076814330
                   +0 :               0.00009954456107
                   +1 :               0.00049502577558
                3d
                   -2 :              -0.00002560686428
                   -1 :              -0.00003982197849
                   +0 :              -0.00003632656268
                   +1 :               0.00000265525577
                   +2 :               0.00004723980720
              6 vec=     7.989968     -7.607297      4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00010876599464
                2s
                   +0 :               0.00077585622312
                3s
                   +0 :              -0.00007538760314
                2p
                   -1 :              -0.00003026627381
                   +0 :               0.00054782384791
                   +1 :               0.00037697369015
                3p
                   -1 :              -0.00028483896234
                   +0 :              -0.00032249549118
                   +1 :              -0.00018172241646
                3d
                   -2 :              -0.00007208296272
                   -1 :               0.00004261939576
                   +0 :              -0.00004880191499
                   +1 :              -0.00000890941649
                   +2 :              -0.00001989913917
              7 vec=     0.209805    -12.099176      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00005031754301
                2s
                   +0 :               0.00025590726571
                3s
                   +0 :              -0.00016725742101
                2p
                   -1 :              -0.00036346292816
                   +0 :               0.00006934282046
                   +1 :               0.00007344547526
                3p
                   -1 :               0.00037516362483
                   +0 :              -0.00012807022796
                   +1 :              -0.00018391381501
                3d
                   -2 :               0.00000458436382
                   -1 :               0.00000378943670
                   +0 :              -0.00001124885930
                   +1 :              -0.00000841647753
                   +2 :               0.00001640863421
              8 vec=    -7.570358     10.360219      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00006652533408
                2s
                   +0 :               0.00026719034392
                3s
                   +0 :              -0.00012492037941
                2p
                   -1 :               0.00046585344034
                   +0 :              -0.00008581470445
                   +1 :               0.00003893884026
                3p
                   -1 :              -0.00035141514452
                   +0 :               0.00017361617562
                   +1 :              -0.00005354248914
                3d
                   -2 :              -0.00001358255159
                   -1 :               0.00007764544611
                   +0 :               0.00000900108489
                   +1 :              -0.00001896145339
                   +2 :               0.00001201135772
              9 vec=     7.989968     10.360219      4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00001391870456
                2s
                   +0 :               0.00003191037781
                3s
                   +0 :              -0.00003715803918
                2p
                   -1 :               0.00044410013107
                   +0 :              -0.00029059934771
                   +1 :               0.00000780514143
                3p
                   -1 :              -0.00040245896784
                   +0 :               0.00009611899944
                   +1 :               0.00003778543100
                3d
                   -2 :               0.00001464565970
                   -1 :              -0.00005111949457
                   +0 :               0.00000456479311
                   +1 :              -0.00000730291604
                   +2 :               0.00005161198619
             10 vec=     0.209805     14.852098      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00002921693269
                2s
                   +0 :              -0.00017675580909
                3s
                   +0 :               0.00004407201823
                2p
                   -1 :               0.00003178044660
                   +0 :               0.00019633951166
                   +1 :               0.00019126354717
                3p
                   -1 :              -0.00003892969190
                   +0 :              -0.00015598842782
                   +1 :              -0.00003978708076
                3d
                   -2 :               0.00002065677597
                   -1 :              -0.00003360003135
                   +0 :              -0.00000601593252
                   +1 :              -0.00000688100142
                   +2 :               0.00000716722375
             11 vec=   -15.350520     -3.115418      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00005126439706
                2s
                   +0 :               0.00051437516358
                3s
                   +0 :              -0.00008230228585
                2p
                   -1 :              -0.00015313803606
                   +0 :              -0.00040495197978
                   +1 :              -0.00063685222520
                3p
                   -1 :               0.00005936264927
                   +0 :               0.00015164960274
                   +1 :               0.00029676861165
                3d
                   -2 :              -0.00000083453203
                   -1 :              -0.00000497793151
                   +0 :              -0.00001767839423
                   +1 :               0.00000965315852
                   +2 :               0.00001460211800
             12 vec=    15.770130     -3.115418      4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00005226516455
                2s
                   +0 :              -0.00030178674005
                3s
                   +0 :               0.00006937544735
                2p
                   -1 :               0.00030931293980
                   +0 :              -0.00010995511460
                   +1 :              -0.00045891888718
                3p
                   -1 :              -0.00023704678607
                   +0 :               0.00021110250908
                   +1 :               0.00024829588844
                3d
                   -2 :               0.00000165081573
                   -1 :               0.00000864171155
                   +0 :              -0.00000089718133
                   +1 :               0.00000034468432
                   +2 :               0.00000042176261
             13 vec=   -15.350520      5.868340      4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00003131941963
                2s
                   +0 :              -0.00025675656177
                3s
                   +0 :               0.00006255454883
                2p
                   -1 :              -0.00010106288989
                   +0 :              -0.00003390187023
                   +1 :               0.00006731390751
                3p
                   -1 :               0.00008056905153
                   +0 :              -0.00004752895530
                   +1 :               0.00003430868923
                3d
                   -2 :               0.00000381325767
                   -1 :               0.00000029638029
                   +0 :              -0.00000821213608
                   +1 :               0.00001156897351
                   +2 :              -0.00001525249788
             14 vec=    15.770130      5.868340      4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00000381013760
                2s
                   +0 :               0.00004055956700
                3s
                   +0 :               0.00004668173435
                2p
                   -1 :              -0.00000174116394
                   +0 :               0.00007402565711
                   +1 :               0.00009554335594
                3p
                   -1 :               0.00000524848743
                   +0 :              -0.00002887818585
                   +1 :              -0.00003814337761
                3d
                   -2 :              -0.00000326561767
                   -1 :               0.00000113868598
                   +0 :               0.00000323962546
                   +1 :              -0.00000719161654
                   +2 :               0.00000107330394
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 16)  npairs=  15
              1 vec=    -2.174037     -4.491729     -8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00001068421793
                2s
                   +0 :               0.00048776874376
                3s
                   +0 :               0.00005758220516
                2p
                   -1 :              -0.00062699748335
                   +0 :              -0.00029839194162
                   +1 :              -0.00408845072295
                3p
                   -1 :              -0.00026914969937
                   +0 :              -0.00094058770105
                   +1 :               0.00278144376835
                3d
                   -2 :               0.00005872119451
                   -1 :               0.00010665154963
                   +0 :               0.00002454187955
                   +1 :              -0.00019239771828
                   +2 :              -0.00000307583993
              2 vec=    -2.174037      4.492029     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00047536447208
                2s
                   +0 :              -0.00398029472554
                3s
                   +0 :               0.00103667412917
                2p
                   -1 :              -0.00165214132548
                   +0 :               0.00384500659972
                   +1 :              -0.00163755977087
                3p
                   -1 :              -0.00017572051414
                   +0 :              -0.00111434209731
                   +1 :               0.00050254503553
                3d
                   -2 :              -0.00007753589871
                   -1 :               0.00011774602465
                   +0 :               0.00003021518833
                   +1 :               0.00003160173029
                   +2 :               0.00010027520581
              3 vec=     5.606126      0.000150     -8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00031756019451
                2s
                   +0 :               0.00251944109503
                3s
                   +0 :              -0.00048707569588
                2p
                   -1 :              -0.00221053514943
                   +0 :              -0.00060732741305
                   +1 :               0.00211486103850
                3p
                   -1 :               0.00119544938090
                   +0 :              -0.00093636773056
                   +1 :              -0.00090728398752
                3d
                   -2 :              -0.00011785044949
                   -1 :               0.00008265096248
                   +0 :               0.00000058791129
                   +1 :               0.00003527948109
                   +2 :              -0.00005655850595
              4 vec=    -9.954199      0.000150     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00017955057955
                2s
                   +0 :              -0.00161747662457
                3s
                   +0 :               0.00054579999968
                2p
                   -1 :               0.00018823474534
                   +0 :               0.00035847523740
                   +1 :               0.00069079164631
                3p
                   -1 :              -0.00004739952743
                   +0 :              -0.00014775869796
                   +1 :              -0.00051050177804
                3d
                   -2 :               0.00000434616588
                   -1 :              -0.00000215516070
                   +0 :              -0.00001856250726
                   +1 :               0.00004914769249
                   +2 :               0.00004050054491
              5 vec=     5.606126     -8.983608     -8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00005036956207
                2s
                   +0 :               0.00041242242832
                3s
                   +0 :              -0.00010177316569
                2p
                   -1 :               0.00001253419007
                   +0 :              -0.00003619927566
                   +1 :               0.00017239314575
                3p
                   -1 :              -0.00011984479743
                   +0 :              -0.00009450924533
                   +1 :              -0.00010295551670
                3d
                   -2 :               0.00000491177997
                   -1 :               0.00003694780530
                   +0 :              -0.00003491269149
                   +1 :               0.00004169634205
                   +2 :               0.00000707525308
              6 vec=     5.606126      8.983908     -8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00012296087765
                2s
                   +0 :               0.00136979330762
                3s
                   +0 :              -0.00021168233178
                2p
                   -1 :               0.00034853479095
                   +0 :              -0.00064037700153
                   +1 :               0.00024852526538
                3p
                   -1 :               0.00003670287384
                   +0 :               0.00023745167210
                   +1 :              -0.00017851467357
                3d
                   -2 :               0.00002015290970
                   -1 :              -0.00002180004616
                   +0 :               0.00000278714741
                   +1 :               0.00001240078186
                   +2 :              -0.00003149653969
              7 vec=    -9.954199     -8.983608     -8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00000523592606
                2s
                   +0 :              -0.00010961541379
                3s
                   +0 :              -0.00003766548474
                2p
                   -1 :               0.00003026890225
                   +0 :              -0.00002285614090
                   +1 :              -0.00014854406334
                3p
                   -1 :               0.00003400274090
                   +0 :               0.00009899312984
                   +1 :               0.00018467772802
                3d
                   -2 :               0.00000216515597
                   -1 :              -0.00001714781166
                   +0 :              -0.00000374464475
                   +1 :               0.00000367691482
                   +2 :               0.00001810445715
              8 vec=    -9.954199      8.983908     -8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00003603157924
                2s
                   +0 :              -0.00035774401161
                3s
                   +0 :               0.00009433824809
                2p
                   -1 :              -0.00024015780382
                   +0 :               0.00019682305496
                   +1 :               0.00021419888022
                3p
                   -1 :               0.00006895151360
                   +0 :              -0.00014146422940
                   +1 :              -0.00013814633949
                3d
                   -2 :               0.00000157889283
                   -1 :              -0.00000228855443
                   +0 :               0.00001006432606
                   +1 :               0.00000649178708
                   +2 :               0.00000991091169
              9 vec=    -2.174037    -13.475487     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00003722547618
                2s
                   +0 :              -0.00028422619359
                3s
                   +0 :               0.00008553614970
                2p
                   -1 :               0.00012835961659
                   +0 :               0.00000759786392
                   +1 :              -0.00006612387750
                3p
                   -1 :              -0.00007229466707
                   +0 :               0.00006788947057
                   +1 :               0.00004239328914
                3d
                   -2 :              -0.00000868813003
                   -1 :              -0.00001035965861
                   +0 :               0.00000105330497
                   +1 :               0.00000042492484
                   +2 :              -0.00000294712365
             10 vec=    -2.174037     13.475787     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00000544958575
                2s
                   +0 :               0.00002634852130
                3s
                   +0 :              -0.00003667794942
                2p
                   -1 :               0.00002252181386
                   +0 :               0.00002794287507
                   +1 :              -0.00012231801089
                3p
                   -1 :              -0.00003617851449
                   +0 :               0.00000128072467
                   +1 :               0.00006213389040
                3d
                   -2 :               0.00000486068315
                   -1 :              -0.00000073326927
                   +0 :               0.00000009536096
                   +1 :               0.00000554121890
                   +2 :               0.00000117551433
             11 vec=    13.386289     -4.491729     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00001584803008
                2s
                   +0 :               0.00000520365081
                3s
                   +0 :               0.00009084715815
                2p
                   -1 :              -0.00024288893987
                   +0 :               0.00007156550065
                   +1 :              -0.00000761815893
                3p
                   -1 :               0.00016846229620
                   +0 :              -0.00010758125016
                   +1 :               0.00008118801059
                3d
                   -2 :               0.00000492466049
                   -1 :              -0.00000760942767
                   +0 :               0.00000357783351
                   +1 :              -0.00000766193673
                   +2 :              -0.00000053599092
             12 vec=    13.386289      4.492029     -8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00004954617204
                2s
                   +0 :               0.00048956199370
                3s
                   +0 :              -0.00008068654165
                2p
                   -1 :               0.00005190370875
                   +0 :              -0.00018607859884
                   +1 :               0.00034876829186
                3p
                   -1 :               0.00003972340503
                   +0 :               0.00003274766702
                   +1 :              -0.00020588956531
                3d
                   -2 :              -0.00000127055008
                   -1 :              -0.00000918484705
                   +0 :               0.00001054503589
                   +1 :               0.00001325631407
                   +2 :              -0.00001007478675
             13 vec=    -2.174037     -4.491729     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00001536142178
                2s
                   +0 :               0.00010642591150
                3s
                   +0 :              -0.00004389441568
                2p
                   -1 :              -0.00001196427087
                   +0 :               0.00005443370067
                   +1 :              -0.00005757105653
                3p
                   -1 :               0.00001322430404
                   +0 :              -0.00003863302353
                   +1 :               0.00005411765661
                3d
                   -2 :               0.00000247246840
                   -1 :              -0.00000302565942
                   +0 :               0.00000585204810
                   +1 :               0.00000653367575
                   +2 :              -0.00000288455973
             14 vec=    -2.174037      4.492029     16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00000382044272
                2s
                   +0 :              -0.00002726171071
                3s
                   +0 :               0.00001482460979
                2p
                   -1 :               0.00002119804787
                   +0 :              -0.00003981521944
                   +1 :               0.00000417122282
                3p
                   -1 :              -0.00000449740862
                   +0 :               0.00003455449825
                   +1 :               0.00000125048858
                3d
                   -2 :               0.00000160070733
                   -1 :               0.00000283879693
                   +0 :               0.00000791036524
                   +1 :              -0.00000288262570
                   +2 :              -0.00000076174268
             15 vec=     5.606126      0.000150     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00000062347027
                2s
                   +0 :              -0.00003522390847
                3s
                   +0 :              -0.00000107473914
                2p
                   -1 :              -0.00004443257616
                   +0 :               0.00001310647334
                   +1 :              -0.00002772958187
                3p
                   -1 :               0.00004330493087
                   +0 :              -0.00002513420041
                   +1 :               0.00000780658543
                3d
                   -2 :               0.00000551954910
                   -1 :               0.00000230341281
                   +0 :               0.00000000717069
                   +1 :              -0.00000059635629
                   +2 :              -0.00000140878193
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 17)  npairs=  15
              1 vec=    -5.186516      0.000150     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00014905171599
                2s
                   +0 :              -0.00188653814008
                3s
                   +0 :               0.00016893661715
                2p
                   -1 :               0.00071978996758
                   +0 :               0.00125505311348
                   +1 :              -0.00025014801480
                3p
                   -1 :               0.00064754331991
                   +0 :               0.00003026421785
                   +1 :               0.00066521491976
                3d
                   -2 :              -0.00005395545120
                   -1 :              -0.00009982883571
                   +0 :               0.00002567767584
                   +1 :              -0.00015645110110
                   +2 :               0.00007851641018
              2 vec=     2.593647     -4.491729     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00015154505860
                2s
                   +0 :              -0.00140061995204
                3s
                   +0 :               0.00027822662467
                2p
                   -1 :              -0.00014465369696
                   +0 :               0.00006561583220
                   +1 :               0.00078621838009
                3p
                   -1 :               0.00032511157979
                   +0 :               0.00050734198927
                   +1 :              -0.00065852905615
                3d
                   -2 :               0.00003862100379
                   -1 :              -0.00014596555904
                   +0 :              -0.00008656600938
                   +1 :              -0.00001990929178
                   +2 :              -0.00005738242680
              3 vec=     2.593647      4.492029     -8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00040500227851
                2s
                   +0 :               0.00313343868689
                3s
                   +0 :              -0.00067570474575
                2p
                   -1 :               0.00239953900866
                   +0 :              -0.00273755023178
                   +1 :               0.00071578723258
                3p
                   -1 :              -0.00028644280737
                   +0 :               0.00018443322210
                   +1 :              -0.00112080153441
                3d
                   -2 :              -0.00008406023440
                   -1 :              -0.00018346923245
                   +0 :               0.00003329307011
                   +1 :               0.00016450307690
                   +2 :              -0.00013567495049
              4 vec=    -5.186516     -8.983608     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00002393019248
                2s
                   +0 :              -0.00016109104159
                3s
                   +0 :              -0.00001239365922
                2p
                   -1 :              -0.00027885396503
                   +0 :               0.00009294240332
                   +1 :               0.00062996101672
                3p
                   -1 :               0.00020924433856
                   +0 :               0.00014911289210
                   +1 :              -0.00055661721408
                3d
                   -2 :               0.00005735215306
                   -1 :               0.00001671322108
                   +0 :              -0.00002574480158
                   +1 :              -0.00000229696839
                   +2 :              -0.00003005769292
              5 vec=    -5.186516      8.983908     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00002531802161
                2s
                   +0 :              -0.00048138550250
                3s
                   +0 :              -0.00002988651641
                2p
                   -1 :              -0.00018760672573
                   +0 :               0.00005509070348
                   +1 :              -0.00021831254334
                3p
                   -1 :              -0.00002733866973
                   +0 :               0.00013107641367
                   +1 :               0.00013535952054
                3d
                   -2 :              -0.00000599006753
                   -1 :               0.00003912321567
                   +0 :              -0.00002831066339
                   +1 :               0.00001451820963
                   +2 :               0.00003529298163
              6 vec=    10.373810      0.000150     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00000788583352
                2s
                   +0 :               0.00071872586363
                3s
                   +0 :               0.00001681401568
                2p
                   -1 :              -0.00044168707072
                   +0 :              -0.00054519058148
                   +1 :               0.00052869535003
                3p
                   -1 :               0.00021863144101
                   +0 :               0.00036844675727
                   +1 :              -0.00026816360918
                3d
                   -2 :               0.00002382162044
                   -1 :               0.00000346868300
                   +0 :              -0.00006590915489
                   +1 :               0.00002883051770
                   +2 :              -0.00000869123751
              7 vec=   -12.966678     -4.491729     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000059478238
                2s
                   +0 :              -0.00007773034152
                3s
                   +0 :              -0.00004615429381
                2p
                   -1 :               0.00012836342384
                   +0 :               0.00031087178911
                   +1 :              -0.00018405682925
                3p
                   -1 :              -0.00006246243468
                   +0 :              -0.00019483378498
                   +1 :               0.00021608148658
                3d
                   -2 :               0.00000232893173
                   -1 :               0.00001990161220
                   +0 :               0.00002458500605
                   +1 :              -0.00000837917863
                   +2 :              -0.00002160770256
              8 vec=   -12.966678      4.492029     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002169472621
                2s
                   +0 :              -0.00032402496436
                3s
                   +0 :               0.00001211169292
                2p
                   -1 :              -0.00009183615212
                   +0 :               0.00030719660044
                   +1 :               0.00001500876818
                3p
                   -1 :              -0.00000326481572
                   +0 :              -0.00013091669422
                   +1 :               0.00004971670967
                3d
                   -2 :              -0.00000076089828
                   -1 :               0.00001338900635
                   +0 :              -0.00000428893305
                   +1 :               0.00000553953118
                   +2 :               0.00000072034960
              9 vec=     2.593647    -13.475487     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000805262432
                2s
                   +0 :              -0.00005511329387
                3s
                   +0 :               0.00000084862309
                2p
                   -1 :               0.00008468758623
                   +0 :              -0.00004045795650
                   +1 :              -0.00014597643922
                3p
                   -1 :              -0.00007847394662
                   +0 :               0.00003126304518
                   +1 :               0.00006444636960
                3d
                   -2 :              -0.00000798284430
                   -1 :              -0.00001050246010
                   +0 :              -0.00001109572852
                   +1 :              -0.00000256666903
                   +2 :              -0.00000177520774
             10 vec=    10.373810     -8.983608     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00003742664128
                2s
                   +0 :               0.00029125941668
                3s
                   +0 :              -0.00010216926295
                2p
                   -1 :              -0.00008392626535
                   +0 :              -0.00013783173866
                   +1 :               0.00016770745026
                3p
                   -1 :              -0.00000480167703
                   +0 :               0.00010833411004
                   +1 :              -0.00012340739437
                3d
                   -2 :               0.00000841433576
                   -1 :               0.00000443226282
                   +0 :               0.00000635780673
                   +1 :               0.00001812059622
                   +2 :               0.00001951278666
             11 vec=     2.593647     13.475787     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001603344149
                2s
                   +0 :               0.00013951737266
                3s
                   +0 :              -0.00003621124663
                2p
                   -1 :               0.00009469560987
                   +0 :               0.00004741608306
                   +1 :              -0.00004087527393
                3p
                   -1 :              -0.00006313522140
                   +0 :              -0.00004748063921
                   +1 :              -0.00002447547838
                3d
                   -2 :              -0.00000748835481
                   -1 :              -0.00000498341961
                   +0 :               0.00000449625181
                   +1 :              -0.00000980528146
                   +2 :              -0.00000538277191
             12 vec=    10.373810      8.983908     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000693818420
                2s
                   +0 :               0.00016219266246
                3s
                   +0 :               0.00002271592164
                2p
                   -1 :               0.00009116864959
                   +0 :              -0.00011506411558
                   +1 :               0.00005086359700
                3p
                   -1 :              -0.00001166680112
                   +0 :               0.00006368762530
                   +1 :               0.00001244873088
                3d
                   -2 :               0.00000570490400
                   -1 :              -0.00000517978085
                   +0 :              -0.00000549225567
                   +1 :               0.00000735384655
                   +2 :               0.00000195740042
             13 vec=    -5.186516      0.000150     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002586120835
                2s
                   +0 :               0.00020563846311
                3s
                   +0 :              -0.00007251782303
                2p
                   -1 :               0.00006594015582
                   +0 :               0.00010842263634
                   +1 :               0.00000965867000
                3p
                   -1 :              -0.00005347114720
                   +0 :              -0.00005526462503
                   +1 :               0.00000164525122
                3d
                   -2 :              -0.00000343275069
                   -1 :              -0.00000282783245
                   +0 :              -0.00000135917466
                   +1 :               0.00000155872612
                   +2 :              -0.00000271161430
             14 vec=     2.593647     -4.491729     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001719229630
                2s
                   +0 :               0.00010586418282
                3s
                   +0 :              -0.00004867181308
                2p
                   -1 :               0.00005240820992
                   +0 :               0.00006649974564
                   +1 :              -0.00000071961165
                3p
                   -1 :              -0.00004560028501
                   +0 :              -0.00003049436620
                   +1 :              -0.00000731968076
                3d
                   -2 :               0.00000034877393
                   -1 :              -0.00000200528911
                   +0 :               0.00000060346370
                   +1 :              -0.00000286714318
                   +2 :              -0.00000709591372
             15 vec=     2.593647      4.492029     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000900899560
                2s
                   +0 :               0.00003078872662
                3s
                   +0 :              -0.00003293703097
                2p
                   -1 :               0.00010180798184
                   +0 :               0.00002661459306
                   +1 :               0.00002126625554
                3p
                   -1 :              -0.00008729647152
                   +0 :              -0.00003374751309
                   +1 :              -0.00002049874750
                3d
                   -2 :              -0.00000553796014
                   -1 :              -0.00000375200396
                   +0 :               0.00000466283057
                   +1 :              -0.00000095703317
                   +2 :               0.00000110370216
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 18)  npairs=  14
              1 vec=     0.209805      0.363094     -8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00032640834983
                2s
                   +0 :               0.00201631805770
                3s
                   +0 :              -0.00055235013851
                2p
                   -1 :               0.00080975503703
                   +0 :              -0.00192603752329
                   +1 :              -0.00353819829485
                3p
                   -1 :              -0.00062113169104
                   +0 :               0.00078227473412
                   +1 :               0.00188704714812
                3d
                   -2 :               0.00009955283942
                   -1 :               0.00000864757948
                   +0 :               0.00010883758064
                   +1 :              -0.00010571406356
                   +2 :               0.00006043677937
              2 vec=    -7.570358     -4.128785     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00011162919048
                2s
                   +0 :               0.00046516250395
                3s
                   +0 :              -0.00030428527507
                2p
                   -1 :               0.00107353717070
                   +0 :              -0.00057099193294
                   +1 :               0.00112705648908
                3p
                   -1 :              -0.00079886785794
                   +0 :               0.00040262873871
                   +1 :              -0.00111348181786
                3d
                   -2 :               0.00005940524802
                   -1 :              -0.00003098935489
                   +0 :              -0.00003372740115
                   +1 :               0.00008977938609
                   +2 :               0.00008454056166
              3 vec=     0.209805     -8.620664     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00006962613586
                2s
                   +0 :               0.00047940079261
                3s
                   +0 :              -0.00030139978674
                2p
                   -1 :              -0.00034847098360
                   +0 :              -0.00010238284796
                   +1 :               0.00006190336127
                3p
                   -1 :               0.00032677244403
                   +0 :               0.00015322975414
                   +1 :              -0.00040915962590
                3d
                   -2 :               0.00007120399328
                   -1 :              -0.00001610528085
                   +0 :               0.00001737230382
                   +1 :               0.00005674442126
                   +2 :               0.00000993883538
              4 vec=    -7.570358      4.854973     -8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00018871764753
                2s
                   +0 :              -0.00188604926623
                3s
                   +0 :               0.00036966503580
                2p
                   -1 :              -0.00065536557848
                   +0 :               0.00079059295253
                   +1 :               0.00084525086304
                3p
                   -1 :               0.00024241842643
                   +0 :              -0.00010948693454
                   +1 :              -0.00048741558197
                3d
                   -2 :               0.00000545428649
                   -1 :              -0.00000775255915
                   +0 :              -0.00003408586944
                   +1 :               0.00001071611286
                   +2 :               0.00001192832713
              5 vec=     7.989968     -4.128785     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00024872082731
                2s
                   +0 :              -0.00112723546562
                3s
                   +0 :               0.00094943197967
                2p
                   -1 :               0.00155673545799
                   +0 :               0.00072278380511
                   +1 :              -0.00007195523318
                3p
                   -1 :              -0.00159425056461
                   +0 :              -0.00073358252656
                   +1 :               0.00024201424875
                3d
                   -2 :              -0.00010718398134
                   -1 :               0.00017340447661
                   +0 :               0.00007226899748
                   +1 :              -0.00009445091453
                   +2 :              -0.00004574310769
              6 vec=     0.209805      9.346852     -8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00004291261260
                2s
                   +0 :               0.00025438049521
                3s
                   +0 :              -0.00012486251701
                2p
                   -1 :              -0.00034997975245
                   +0 :              -0.00006703252992
                   +1 :              -0.00055977692481
                3p
                   -1 :               0.00030994615226
                   +0 :               0.00004595738503
                   +1 :               0.00024978314690
                3d
                   -2 :              -0.00000046917692
                   -1 :              -0.00000041826451
                   +0 :              -0.00000259304127
                   +1 :              -0.00002013618917
                   +2 :              -0.00001237024394
              7 vec=     7.989968      4.854973     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00006252934645
                2s
                   +0 :               0.00096414647486
                3s
                   +0 :              -0.00009198050721
                2p
                   -1 :               0.00042551454457
                   +0 :              -0.00060539495530
                   +1 :               0.00021804877053
                3p
                   -1 :              -0.00025851645710
                   +0 :               0.00014201940929
                   +1 :              -0.00003485655404
                3d
                   -2 :              -0.00004045610141
                   -1 :               0.00001997382220
                   +0 :               0.00004158952141
                   +1 :              -0.00001187129157
                   +2 :               0.00000580261803
              8 vec=     0.209805      0.363094     16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000367328461
                2s
                   +0 :               0.00000049648166
                3s
                   +0 :              -0.00001962450814
                2p
                   -1 :              -0.00007338231248
                   +0 :              -0.00003892005986
                   +1 :               0.00001235458523
                3p
                   -1 :               0.00007081408874
                   +0 :               0.00001624808855
                   +1 :               0.00000596805371
                3d
                   -2 :              -0.00000383155819
                   -1 :               0.00000366470774
                   +0 :               0.00000053461874
                   +1 :               0.00000517491790
                   +2 :               0.00000341957707
              9 vec=    -7.570358    -13.112543     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00001141854175
                2s
                   +0 :               0.00002620883235
                3s
                   +0 :              -0.00008986529231
                2p
                   -1 :              -0.00002608460055
                   +0 :               0.00003872615972
                   +1 :               0.00005429977323
                3p
                   -1 :               0.00005049114145
                   +0 :               0.00000683762095
                   +1 :              -0.00002985426574
                3d
                   -2 :               0.00000238772907
                   -1 :               0.00000006840910
                   +0 :               0.00000133720617
                   +1 :               0.00000566591680
                   +2 :               0.00000418836187
             10 vec=   -15.350520      0.363094     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00003711374249
                2s
                   +0 :              -0.00044270645178
                3s
                   +0 :               0.00005155441549
                2p
                   -1 :               0.00013505842307
                   +0 :               0.00024024166922
                   +1 :               0.00008595120086
                3p
                   -1 :              -0.00007088763776
                   +0 :              -0.00005581323122
                   +1 :               0.00005472877200
                3d
                   -2 :              -0.00000504458066
                   -1 :              -0.00000790138246
                   +0 :               0.00000417261264
                   +1 :              -0.00000530319654
                   +2 :              -0.00001570751014
             11 vec=     7.989968    -13.112543     -8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00001223138744
                2s
                   +0 :               0.00009769413116
                3s
                   +0 :              -0.00002967947626
                2p
                   -1 :              -0.00017078927284
                   +0 :               0.00000478345624
                   +1 :              -0.00011840518834
                3p
                   -1 :               0.00011747806853
                   +0 :              -0.00002307717511
                   +1 :               0.00010611129338
                3d
                   -2 :              -0.00001299642533
                   -1 :               0.00000669814171
                   +0 :              -0.00000284132393
                   +1 :              -0.00001306355745
                   +2 :               0.00000935295869
             12 vec=    -7.570358     13.838731     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00002172948673
                2s
                   +0 :              -0.00016166574313
                3s
                   +0 :               0.00004743148967
                2p
                   -1 :              -0.00006120460730
                   +0 :               0.00001986216801
                   +1 :               0.00002731376665
                3p
                   -1 :               0.00000578669031
                   +0 :               0.00000598207769
                   +1 :              -0.00002453076908
                3d
                   -2 :               0.00000002956482
                   -1 :              -0.00000261762673
                   +0 :              -0.00000490135640
                   +1 :               0.00000120756071
                   +2 :              -0.00000069147503
             13 vec=    15.770130      0.363094     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00001547743450
                2s
                   +0 :               0.00018268795473
                3s
                   +0 :               0.00001737633838
                2p
                   -1 :               0.00007578037804
                   +0 :               0.00000499436417
                   +1 :               0.00001208243147
                3p
                   -1 :              -0.00010229313454
                   +0 :              -0.00008133958577
                   +1 :               0.00007453924867
                3d
                   -2 :              -0.00001228234908
                   -1 :               0.00000889642474
                   +0 :               0.00000972117157
                   +1 :              -0.00001276851943
                   +2 :               0.00000847116197
             14 vec=     7.989968     13.838731     -8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00002277608861
                2s
                   +0 :               0.00022383011883
                3s
                   +0 :              -0.00004489306136
                2p
                   -1 :               0.00012266235066
                   +0 :              -0.00005386847858
                   +1 :               0.00002577002429
                3p
                   -1 :              -0.00002860949992
                   +0 :               0.00003603085711
                   +1 :              -0.00000109564923
                3d
                   -2 :               0.00000237569458
                   -1 :               0.00000341982359
                   +0 :              -0.00000152826695
                   +1 :              -0.00000252954914
                   +2 :               0.00000049305782
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 19)  npairs=  14
              1 vec=     0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00008602301733
                2s
                   +0 :               0.00067249698215
                3s
                   +0 :              -0.00028998871965
                2p
                   -1 :               0.00017013326282
                   +0 :              -0.00053835830054
                   +1 :               0.00038508826709
                3p
                   -1 :              -0.00020232701412
                   +0 :               0.00038032797964
                   +1 :              -0.00023903290479
                3d
                   -2 :              -0.00001741222433
                   -1 :               0.00002308253752
                   +0 :              -0.00003793914951
                   +1 :               0.00000776148185
                   +2 :               0.00000119604490
              2 vec=     0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008902358328
                2s
                   +0 :              -0.00062157448242
                3s
                   +0 :               0.00037621316815
                2p
                   -1 :               0.00015991261334
                   +0 :              -0.00058002923679
                   +1 :              -0.00002255247738
                3p
                   -1 :              -0.00012898524718
                   +0 :               0.00055185975785
                   +1 :               0.00005975561778
                3d
                   -2 :               0.00001370874931
                   -1 :              -0.00001507925274
                   +0 :               0.00005603391502
                   +1 :              -0.00000807301215
                   +2 :              -0.00000788438362
              3 vec=     0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00006619562138
                2s
                   +0 :               0.00023013649806
                3s
                   +0 :              -0.00022261639759
                2p
                   -1 :               0.00030597917122
                   +0 :               0.00013048313724
                   +1 :              -0.00056586251851
                3p
                   -1 :              -0.00029920128106
                   +0 :               0.00007705925203
                   +1 :               0.00003462836576
                3d
                   -2 :              -0.00000885997812
                   -1 :               0.00002741549648
                   +0 :              -0.00000254521820
                   +1 :               0.00003417884926
                   +2 :               0.00000532526736
              4 vec=     0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00003077613442
                2s
                   +0 :              -0.00029173001667
                3s
                   +0 :               0.00010688209930
                2p
                   -1 :              -0.00019685175695
                   +0 :              -0.00016722004474
                   +1 :              -0.00027145360656
                3p
                   -1 :               0.00019622347606
                   +0 :               0.00006795452961
                   +1 :               0.00007339607332
                3d
                   -2 :              -0.00000121809694
                   -1 :              -0.00000087056951
                   +0 :               0.00001985163064
                   +1 :              -0.00000216791045
                   +2 :               0.00001479446124
              5 vec=    -7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003852551794
                2s
                   +0 :              -0.00041547491689
                3s
                   +0 :               0.00012735687591
                2p
                   -1 :               0.00004289387701
                   +0 :               0.00022707104509
                   +1 :              -0.00003797174980
                3p
                   -1 :              -0.00011892144139
                   +0 :              -0.00007017236086
                   +1 :               0.00001444840599
                3d
                   -2 :               0.00000618340649
                   -1 :               0.00000303359939
                   +0 :               0.00001871853809
                   +1 :              -0.00000195556262
                   +2 :               0.00000533184581
              6 vec=    -7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000614265723
                2s
                   +0 :               0.00008402805378
                3s
                   +0 :              -0.00004183595925
                2p
                   -1 :               0.00008669717361
                   +0 :              -0.00008520274726
                   +1 :               0.00020968080330
                3p
                   -1 :              -0.00004207678468
                   +0 :               0.00006931849706
                   +1 :              -0.00010359449972
                3d
                   -2 :              -0.00000143277807
                   -1 :               0.00000449202721
                   +0 :              -0.00000419149736
                   +1 :               0.00001807878934
                   +2 :               0.00000164510128
              7 vec=     7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002889242806
                2s
                   +0 :               0.00049599358692
                3s
                   +0 :              -0.00002056729278
                2p
                   -1 :               0.00029984415883
                   +0 :              -0.00042665989865
                   +1 :               0.00029325222829
                3p
                   -1 :              -0.00013717952571
                   +0 :               0.00017195558259
                   +1 :              -0.00020874382445
                3d
                   -2 :              -0.00000980849707
                   -1 :              -0.00000177565555
                   +0 :              -0.00001319227644
                   +1 :               0.00000454626910
                   +2 :              -0.00002270082875
              8 vec=     7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001384664863
                2s
                   +0 :               0.00010798716009
                3s
                   +0 :              -0.00000911815675
                2p
                   -1 :              -0.00009023433359
                   +0 :               0.00006780790888
                   +1 :               0.00009712537937
                3p
                   -1 :               0.00013678177786
                   +0 :               0.00002458357969
                   +1 :              -0.00003553567198
                3d
                   -2 :               0.00000954521401
                   -1 :               0.00002061663878
                   +0 :              -0.00001777123093
                   +1 :               0.00000723420391
                   +2 :               0.00000061285871
              9 vec=    -7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000237982505
                2s
                   +0 :              -0.00001698700777
                3s
                   +0 :              -0.00002901326264
                2p
                   -1 :              -0.00004037972464
                   +0 :              -0.00004352946874
                   +1 :              -0.00018519522706
                3p
                   -1 :               0.00003125548485
                   +0 :               0.00006701236780
                   +1 :               0.00016140544984
                3d
                   -2 :              -0.00000206691485
                   -1 :              -0.00000296741199
                   +0 :              -0.00000334808606
                   +1 :              -0.00000625874538
                   +2 :               0.00001347713909
             10 vec=    -7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000525383759
                2s
                   +0 :               0.00003563799033
                3s
                   +0 :              -0.00003563118664
                2p
                   -1 :               0.00009245198508
                   +0 :               0.00002466257105
                   +1 :              -0.00004027518127
                3p
                   -1 :              -0.00006909769476
                   +0 :              -0.00008587442982
                   +1 :               0.00004360713205
                3d
                   -2 :               0.00000731141705
                   -1 :               0.00000764245072
                   +0 :              -0.00001906785604
                   +1 :              -0.00000294596509
                   +2 :              -0.00000581893133
             11 vec=     7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00003065081679
                2s
                   +0 :               0.00020648960906
                3s
                   +0 :              -0.00007024341340
                2p
                   -1 :              -0.00013465192546
                   +0 :              -0.00016889396021
                   +1 :               0.00029358966453
                3p
                   -1 :               0.00005577381007
                   +0 :               0.00006416223594
                   +1 :              -0.00025226281198
                3d
                   -2 :               0.00000856833923
                   -1 :              -0.00000737857496
                   +0 :              -0.00000625696345
                   +1 :               0.00002054991270
                   +2 :              -0.00000134900867
             12 vec=     7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000807670509
                2s
                   +0 :              -0.00000332699306
                3s
                   +0 :               0.00003920548279
                2p
                   -1 :               0.00009727608435
                   +0 :              -0.00010813656215
                   +1 :               0.00014975487848
                3p
                   -1 :              -0.00012791107647
                   +0 :               0.00015059550528
                   +1 :              -0.00014126280787
                3d
                   -2 :              -0.00000745286000
                   -1 :              -0.00001896225319
                   +0 :               0.00001063851478
                   +1 :              -0.00001651334273
                   +2 :              -0.00001327397546
             13 vec=     0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001602939943
                2s
                   +0 :              -0.00010067354181
                3s
                   +0 :               0.00002672601738
                2p
                   -1 :              -0.00005852986096
                   +0 :               0.00002984955271
                   +1 :              -0.00003949978430
                3p
                   -1 :               0.00005285376233
                   +0 :               0.00000512911728
                   +1 :               0.00005497600019
                3d
                   -2 :              -0.00000650540437
                   -1 :              -0.00000768305678
                   +0 :              -0.00000133993436
                   +1 :              -0.00000753639630
                   +2 :               0.00000913610770
             14 vec=     0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002745984711
                2s
                   +0 :               0.00020567969606
                3s
                   +0 :              -0.00009405444794
                2p
                   -1 :              -0.00007054120818
                   +0 :               0.00016499003946
                   +1 :               0.00000336167549
                3p
                   -1 :               0.00004162067590
                   +0 :              -0.00010193621614
                   +1 :               0.00000279783306
                3d
                   -2 :              -0.00000323223896
                   -1 :              -0.00000055379018
                   +0 :              -0.00000659864922
                   +1 :              -0.00000730656062
                   +2 :              -0.00000748858563
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 20)  npairs=  18
              1 vec=     3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00006439822136
                2s
                   +0 :               0.00061880587559
                3s
                   +0 :              -0.00019466014111
                2p
                   -1 :              -0.00040146671551
                   +0 :              -0.00021045901976
                   +1 :              -0.00005877856145
                3p
                   -1 :               0.00028461843384
                   +0 :               0.00011703466689
                   +1 :               0.00004863892013
                3d
                   -2 :               0.00002053561303
                   -1 :               0.00000414239184
                   +0 :              -0.00005082973106
                   +1 :              -0.00000894854550
                   +2 :               0.00000060007728
              2 vec=     3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00007928532161
                2s
                   +0 :              -0.00057818951149
                3s
                   +0 :               0.00027078750667
                2p
                   -1 :               0.00012868755818
                   +0 :              -0.00066476902119
                   +1 :              -0.00007311274532
                3p
                   -1 :               0.00001680311639
                   +0 :               0.00047993943021
                   +1 :               0.00005505180724
                3d
                   -2 :               0.00000962478073
                   -1 :               0.00003534152795
                   +0 :               0.00000843508952
                   +1 :              -0.00000929598173
                   +2 :               0.00001028955702
              3 vec=    -4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00006063359957
                2s
                   +0 :              -0.00054380018659
                3s
                   +0 :               0.00012201018149
                2p
                   -1 :               0.00046903910743
                   +0 :               0.00040889325880
                   +1 :              -0.00047407573820
                3p
                   -1 :              -0.00015488328986
                   +0 :              -0.00015062972786
                   +1 :               0.00027793431345
                3d
                   -2 :               0.00000423008129
                   -1 :              -0.00000292541362
                   +0 :               0.00000345542926
                   +1 :              -0.00001303127799
                   +2 :               0.00001685530164
              4 vec=    -4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00007029666306
                2s
                   +0 :              -0.00036352372272
                3s
                   +0 :               0.00021957542772
                2p
                   -1 :              -0.00017971831116
                   +0 :              -0.00041350101767
                   +1 :               0.00007440880953
                3p
                   -1 :               0.00026526230483
                   +0 :               0.00030224122169
                   +1 :              -0.00005185572545
                3d
                   -2 :               0.00001501041438
                   -1 :               0.00004113145528
                   +0 :               0.00002517446634
                   +1 :              -0.00001786741372
                   +2 :               0.00001081847903
              5 vec=    -4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004118633674
                2s
                   +0 :              -0.00046454625026
                3s
                   +0 :               0.00008990320758
                2p
                   -1 :              -0.00011675477669
                   +0 :               0.00039330012336
                   +1 :              -0.00010046512612
                3p
                   -1 :               0.00007195453974
                   +0 :              -0.00008715391312
                   +1 :               0.00013905061424
                3d
                   -2 :              -0.00000003314210
                   -1 :              -0.00000299695008
                   +0 :              -0.00000409050111
                   +1 :              -0.00001541265470
                   +2 :              -0.00001187219074
              6 vec=    -4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00000124207074
                2s
                   +0 :              -0.00024056331491
                3s
                   +0 :              -0.00003391259977
                2p
                   -1 :               0.00001403297992
                   +0 :              -0.00020708699798
                   +1 :              -0.00000925826108
                3p
                   -1 :              -0.00006765878984
                   +0 :              -0.00005525939405
                   +1 :               0.00006457789331
                3d
                   -2 :               0.00001208457647
                   -1 :              -0.00000489562482
                   +0 :              -0.00000676928904
                   +1 :              -0.00000511096747
                   +2 :               0.00000642551610
              7 vec=     3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003021545965
                2s
                   +0 :              -0.00019812550525
                3s
                   +0 :               0.00007210454548
                2p
                   -1 :               0.00020629760496
                   +0 :               0.00038979570393
                   +1 :              -0.00024426745782
                3p
                   -1 :              -0.00019413283447
                   +0 :              -0.00022648705428
                   +1 :               0.00016276946882
                3d
                   -2 :               0.00000641183200
                   -1 :               0.00000861296461
                   +0 :               0.00001238036333
                   +1 :              -0.00000357143914
                   +2 :              -0.00001514922566
              8 vec=     3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001620812762
                2s
                   +0 :               0.00006845751962
                3s
                   +0 :              -0.00006895020937
                2p
                   -1 :              -0.00005925346427
                   +0 :               0.00001542252504
                   +1 :              -0.00040499732219
                3p
                   -1 :               0.00007273588052
                   +0 :              -0.00008150913319
                   +1 :               0.00031884867104
                3d
                   -2 :              -0.00000897161999
                   -1 :               0.00000968538670
                   +0 :              -0.00002497018412
                   +1 :               0.00002052368858
                   +2 :              -0.00000054583547
              9 vec=     3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001798874178
                2s
                   +0 :               0.00017401504003
                3s
                   +0 :              -0.00002569015850
                2p
                   -1 :               0.00006666700911
                   +0 :              -0.00013461590091
                   +1 :              -0.00009132537093
                3p
                   -1 :              -0.00002857191625
                   +0 :               0.00001781448353
                   +1 :              -0.00000232847889
                3d
                   -2 :              -0.00000153092707
                   -1 :              -0.00000830317426
                   +0 :              -0.00000079688648
                   +1 :               0.00001270607485
                   +2 :               0.00000272622524
             10 vec=     3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000306507731
                2s
                   +0 :              -0.00011619746887
                3s
                   +0 :              -0.00002056740140
                2p
                   -1 :               0.00012715327314
                   +0 :               0.00000243047607
                   +1 :               0.00004621933207
                3p
                   -1 :              -0.00010670120318
                   +0 :              -0.00001949521707
                   +1 :              -0.00011509322103
                3d
                   -2 :              -0.00001432283880
                   -1 :              -0.00000255612816
                   +0 :               0.00000427391757
                   +1 :              -0.00001606573597
                   +2 :               0.00000266547656
             11 vec=    10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000624166099
                2s
                   +0 :               0.00005458563658
                3s
                   +0 :               0.00007698500892
                2p
                   -1 :               0.00012264749093
                   +0 :               0.00015973867656
                   +1 :              -0.00006950452180
                3p
                   -1 :              -0.00013592657138
                   +0 :              -0.00029367069711
                   +1 :               0.00011964042333
                3d
                   -2 :               0.00000164038076
                   -1 :               0.00000831178096
                   +0 :               0.00001992505956
                   +1 :              -0.00001027225158
                   +2 :              -0.00000619357358
             12 vec=    10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000079713094
                2s
                   +0 :               0.00003113669383
                3s
                   +0 :               0.00000253620930
                2p
                   -1 :              -0.00004827988541
                   +0 :               0.00006699255314
                   +1 :              -0.00002023324738
                3p
                   -1 :               0.00003845779547
                   +0 :              -0.00000538581714
                   +1 :               0.00005931741535
                3d
                   -2 :               0.00000699467437
                   -1 :               0.00000516547578
                   +0 :              -0.00000053709767
                   +1 :               0.00000619429648
                   +2 :               0.00000368865399
             13 vec=    10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002341220810
                2s
                   +0 :               0.00025554175616
                3s
                   +0 :              -0.00002903689024
                2p
                   -1 :               0.00004999977566
                   +0 :              -0.00007227875206
                   +1 :               0.00005923293424
                3p
                   -1 :               0.00000125811643
                   +0 :              -0.00001264666807
                   +1 :               0.00000722703067
                3d
                   -2 :               0.00000514732091
                   -1 :              -0.00000178421093
                   +0 :               0.00000258393616
                   +1 :              -0.00000257195555
                   +2 :              -0.00000197574376
             14 vec=    10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001525142998
                2s
                   +0 :               0.00010963555129
                3s
                   +0 :              -0.00003484687260
                2p
                   -1 :               0.00013218385964
                   +0 :               0.00002900669261
                   +1 :              -0.00001837632137
                3p
                   -1 :              -0.00007917332801
                   +0 :               0.00002023840851
                   +1 :               0.00003476004433
                3d
                   -2 :               0.00000211368524
                   -1 :               0.00000009666129
                   +0 :               0.00000392756660
                   +1 :               0.00000284589985
                   +2 :               0.00000246552662
             15 vec=   -12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001288200115
                2s
                   +0 :              -0.00015437601955
                3s
                   +0 :               0.00003007232443
                2p
                   -1 :              -0.00008956473919
                   +0 :               0.00001326172064
                   +1 :               0.00001207406633
                3p
                   -1 :               0.00008519060964
                   +0 :               0.00002729685854
                   +1 :              -0.00001733921362
                3d
                   -2 :              -0.00000866400862
                   -1 :              -0.00000600858037
                   +0 :              -0.00000189991778
                   +1 :               0.00000170505339
                   +2 :               0.00000572754199
             16 vec=   -12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000181958954
                2s
                   +0 :               0.00004229963780
                3s
                   +0 :               0.00001807834981
                2p
                   -1 :              -0.00004387375016
                   +0 :              -0.00003752786630
                   +1 :               0.00000735495082
                3p
                   -1 :               0.00002196749410
                   +0 :               0.00004541199244
                   +1 :              -0.00002243217132
                3d
                   -2 :               0.00000126211777
                   -1 :              -0.00000484759416
                   +0 :               0.00000708027324
                   +1 :              -0.00000982900131
                   +2 :               0.00000201733614
             17 vec=    -4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00003507041416
                2s
                   +0 :              -0.00025987907118
                3s
                   +0 :               0.00009781597255
                2p
                   -1 :               0.00002556605577
                   +0 :               0.00011780127617
                   +1 :              -0.00000946112885
                3p
                   -1 :              -0.00000405503183
                   +0 :              -0.00003918884287
                   +1 :              -0.00001345387635
                3d
                   -2 :              -0.00000078643738
                   -1 :              -0.00000255927207
                   +0 :               0.00000256956941
                   +1 :               0.00000570037605
                   +2 :               0.00000796495877
             18 vec=    -4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000952955424
                2s
                   +0 :              -0.00008298138729
                3s
                   +0 :               0.00004138604928
                2p
                   -1 :               0.00012797382745
                   +0 :              -0.00002724732276
                   +1 :              -0.00003561193908
                3p
                   -1 :              -0.00009664208135
                   +0 :               0.00000949099787
                   +1 :               0.00003066347150
                3d
                   -2 :               0.00000464446761
                   -1 :              -0.00001067501029
                   +0 :               0.00000166832027
                   +1 :               0.00000224170554
                   +2 :              -0.00001324199256
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 21)  npairs=  14
              1 vec=    -2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003489328457
                2s
                   +0 :              -0.00008144518262
                3s
                   +0 :               0.00016890834415
                2p
                   -1 :               0.00009436686832
                   +0 :               0.00024264251362
                   +1 :              -0.00001906955027
                3p
                   -1 :               0.00001923785003
                   +0 :              -0.00042107788341
                   +1 :              -0.00007792582754
                3d
                   -2 :              -0.00002493644593
                   -1 :              -0.00001512544289
                   +0 :               0.00007127247215
                   +1 :               0.00000941892875
                   +2 :               0.00002038386571
              2 vec=    -2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00008043450321
                2s
                   +0 :               0.00039796469733
                3s
                   +0 :              -0.00023556601524
                2p
                   -1 :               0.00008939804811
                   +0 :               0.00036748167086
                   +1 :               0.00026272347353
                3p
                   -1 :              -0.00000009914342
                   +0 :              -0.00026607790356
                   +1 :              -0.00024422126281
                3d
                   -2 :               0.00001488618547
                   -1 :               0.00000059634729
                   +0 :              -0.00003355385327
                   +1 :              -0.00003108569673
                   +2 :               0.00000693800974
              3 vec=     5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001312871039
                2s
                   +0 :               0.00027771738093
                3s
                   +0 :               0.00002091158331
                2p
                   -1 :              -0.00037792902320
                   +0 :              -0.00016111399892
                   +1 :              -0.00028898794409
                3p
                   -1 :               0.00011843573037
                   +0 :               0.00004644681168
                   +1 :               0.00011248321424
                3d
                   -2 :               0.00000795645092
                   -1 :               0.00000882866552
                   +0 :               0.00002966809606
                   +1 :               0.00001066274032
                   +2 :               0.00001409066296
              4 vec=     5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001643842177
                2s
                   +0 :               0.00012497645509
                3s
                   +0 :               0.00004957662547
                2p
                   -1 :              -0.00018259001857
                   +0 :              -0.00012095134558
                   +1 :               0.00017191182994
                3p
                   -1 :               0.00003193624350
                   +0 :               0.00019432138431
                   +1 :              -0.00022837072268
                3d
                   -2 :              -0.00000866342476
                   -1 :              -0.00001257148624
                   +0 :               0.00003594134351
                   +1 :              -0.00000259642165
                   +2 :              -0.00000226432925
              5 vec=    -2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00005669357836
                2s
                   +0 :               0.00047715029685
                3s
                   +0 :              -0.00016960605597
                2p
                   -1 :              -0.00032413047822
                   +0 :              -0.00039380469628
                   +1 :              -0.00011132560688
                3p
                   -1 :               0.00018421968810
                   +0 :               0.00016080034178
                   +1 :               0.00006162560520
                3d
                   -2 :               0.00000010993223
                   -1 :              -0.00000136284229
                   +0 :              -0.00000365261296
                   +1 :              -0.00001826787165
                   +2 :               0.00001136505903
              6 vec=    -2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000452758580
                2s
                   +0 :               0.00005085958389
                3s
                   +0 :               0.00002532775861
                2p
                   -1 :              -0.00016040497244
                   +0 :               0.00008592095535
                   +1 :               0.00020178016893
                3p
                   -1 :               0.00011734532185
                   +0 :              -0.00002676187288
                   +1 :              -0.00016696352682
                3d
                   -2 :               0.00000278270131
                   -1 :               0.00000089969601
                   +0 :               0.00000895991279
                   +1 :               0.00000646157453
                   +2 :              -0.00000175722593
              7 vec=     5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002713551230
                2s
                   +0 :               0.00037705788014
                3s
                   +0 :               0.00000602640755
                2p
                   -1 :              -0.00013937027937
                   +0 :              -0.00004166466340
                   +1 :               0.00007223732545
                3p
                   -1 :               0.00012454612040
                   +0 :              -0.00019928932437
                   +1 :               0.00002551038258
                3d
                   -2 :               0.00001018314091
                   -1 :              -0.00001447136813
                   +0 :               0.00001280019903
                   +1 :              -0.00002784510389
                   +2 :               0.00001201431477
              8 vec=     5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004206902826
                2s
                   +0 :              -0.00025158224646
                3s
                   +0 :               0.00009433168557
                2p
                   -1 :              -0.00003924102010
                   +0 :              -0.00022405861934
                   +1 :              -0.00016175874997
                3p
                   -1 :              -0.00001697479010
                   +0 :               0.00020396987177
                   +1 :               0.00014575304536
                3d
                   -2 :               0.00000020683911
                   -1 :              -0.00000835679310
                   +0 :              -0.00000028720178
                   +1 :               0.00001361614570
                   +2 :              -0.00000385368841
              9 vec=   -10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000332525547
                2s
                   +0 :              -0.00007757757380
                3s
                   +0 :              -0.00001910393477
                2p
                   -1 :               0.00012486516855
                   +0 :              -0.00003795670624
                   +1 :               0.00009211269359
                3p
                   -1 :              -0.00005698381934
                   +0 :               0.00010187035440
                   +1 :              -0.00005553238950
                3d
                   -2 :              -0.00000560217284
                   -1 :               0.00000880030322
                   +0 :              -0.00001958532429
                   +1 :               0.00000288058346
                   +2 :               0.00000688358438
             10 vec=   -10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001641877675
                2s
                   +0 :               0.00016167042155
                3s
                   +0 :              -0.00005736498613
                2p
                   -1 :              -0.00010531358976
                   +0 :               0.00001293488428
                   +1 :               0.00002808453892
                3p
                   -1 :               0.00009048999628
                   +0 :              -0.00004391297215
                   +1 :               0.00004104416322
                3d
                   -2 :               0.00002046040328
                   -1 :              -0.00000016223663
                   +0 :              -0.00001648676657
                   +1 :               0.00001043673444
                   +2 :              -0.00000791698467
             11 vec=    -2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001016515571
                2s
                   +0 :              -0.00006647156715
                3s
                   +0 :               0.00002235582977
                2p
                   -1 :               0.00004893666325
                   +0 :               0.00001895788791
                   +1 :              -0.00009569638788
                3p
                   -1 :              -0.00004028159253
                   +0 :               0.00005582795890
                   +1 :               0.00001893234761
                3d
                   -2 :              -0.00000137547392
                   -1 :              -0.00000088971779
                   +0 :               0.00000143379939
                   +1 :               0.00000405399266
                   +2 :              -0.00000502629937
             12 vec=    -2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00003426619442
                2s
                   +0 :              -0.00033147232881
                3s
                   +0 :               0.00006396208603
                2p
                   -1 :               0.00006972136545
                   +0 :              -0.00017304821779
                   +1 :               0.00011415790974
                3p
                   -1 :              -0.00008043636284
                   +0 :               0.00002683917947
                   +1 :              -0.00000065266941
                3d
                   -2 :              -0.00000201273914
                   -1 :              -0.00000405031438
                   +0 :              -0.00000659250826
                   +1 :               0.00001277576255
                   +2 :              -0.00000291554519
             13 vec=   -10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000536273184
                2s
                   +0 :              -0.00017751544172
                3s
                   +0 :              -0.00002645605299
                2p
                   -1 :              -0.00008419678645
                   +0 :               0.00007610740088
                   +1 :               0.00013608105771
                3p
                   -1 :               0.00002984777146
                   +0 :               0.00006072579897
                   +1 :              -0.00003768374302
                3d
                   -2 :              -0.00000268244456
                   -1 :               0.00000715437948
                   +0 :              -0.00000787772143
                   +1 :               0.00000152937749
                   +2 :              -0.00000452989789
             14 vec=   -10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001066957623
                2s
                   +0 :              -0.00005298666883
                3s
                   +0 :               0.00000722364473
                2p
                   -1 :               0.00000407890263
                   +0 :              -0.00005249166598
                   +1 :              -0.00003634264236
                3p
                   -1 :               0.00001350559330
                   +0 :              -0.00000950204433
                   +1 :               0.00007670277801
                3d
                   -2 :               0.00000314817411
                   -1 :               0.00000751751218
                   +0 :              -0.00000045658304
                   +1 :               0.00000927635163
                   +2 :              -0.00000729249124
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 22)  npairs=  12
              1 vec=    -4.767165     -0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00408001021117
                2s
                   +0 :              -0.10679732798720
                3s
                   +0 :               0.01026183562229
                2p
                   -1 :              -0.00777224708616
                   +0 :               0.00110449495828
                   +1 :               0.07884910866212
                3p
                   -1 :               0.00295125026291
                   +0 :              -0.00297293378976
                   +1 :              -0.01313048878135
                3d
                   -2 :              -0.00060236562278
                   -1 :              -0.00088181628786
                   +0 :               0.00201059099631
                   +1 :               0.00000427686578
                   +2 :              -0.00302816383470
              2 vec=     3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00011230393071
                2s
                   +0 :               0.02788234482510
                3s
                   +0 :               0.00508950103459
                2p
                   -1 :              -0.02477318289895
                   +0 :               0.00258034705506
                   +1 :               0.00787161409437
                3p
                   -1 :              -0.00317342221008
                   +0 :              -0.00353257569180
                   +1 :               0.00186786874294
                3d
                   -2 :              -0.00173608533185
                   -1 :               0.00073350661959
                   +0 :              -0.00125432644517
                   +1 :               0.00051314043535
                   +2 :              -0.00159234135476
              3 vec=     3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00168095798831
                2s
                   +0 :               0.02512579637595
                3s
                   +0 :              -0.00307375751500
                2p
                   -1 :               0.01379319454310
                   +0 :               0.00052542224609
                   +1 :               0.00512341451307
                3p
                   -1 :              -0.00168726732089
                   +0 :              -0.00091121826815
                   +1 :               0.00046304653656
                3d
                   -2 :               0.00031600629443
                   -1 :               0.00047620052682
                   +0 :               0.00010252921359
                   +1 :              -0.00038777928972
                   +2 :              -0.00040058453251
              4 vec=    -4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00021334879733
                2s
                   +0 :              -0.00250517571003
                3s
                   +0 :              -0.00001373095455
                2p
                   -1 :               0.00453464418752
                   +0 :              -0.00024878127327
                   +1 :               0.00188336091650
                3p
                   -1 :               0.00004492720140
                   +0 :               0.00016395576297
                   +1 :              -0.00019672951780
                3d
                   -2 :              -0.00016317448575
                   -1 :              -0.00009040015220
                   +0 :               0.00019207426358
                   +1 :               0.00000792286529
                   +2 :               0.00016108612593
              5 vec=    -4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00008651148805
                2s
                   +0 :               0.00043554732732
                3s
                   +0 :              -0.00038809886462
                2p
                   -1 :              -0.00113511471025
                   +0 :              -0.00092190886296
                   +1 :              -0.00039836905824
                3p
                   -1 :               0.00023921041236
                   +0 :               0.00027420656268
                   +1 :               0.00013202607174
                3d
                   -2 :              -0.00014820929203
                   -1 :              -0.00008920642703
                   +0 :              -0.00012319663283
                   +1 :              -0.00000559352119
                   +2 :               0.00000998452981
              6 vec=    10.793160      0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00079293969554
                2s
                   +0 :               0.00674305530124
                3s
                   +0 :              -0.00192297282456
                2p
                   -1 :              -0.00030782700115
                   +0 :              -0.00118727590562
                   +1 :               0.00372536865276
                3p
                   -1 :               0.00023618772048
                   +0 :               0.00094561557271
                   +1 :              -0.00067432263148
                3d
                   -2 :               0.00002553425209
                   -1 :               0.00000414752398
                   +0 :               0.00004815373806
                   +1 :               0.00001360124761
                   +2 :              -0.00008457790723
              7 vec=   -12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00003007504429
                2s
                   +0 :              -0.00064742150426
                3s
                   +0 :              -0.00001201618804
                2p
                   -1 :               0.00004271427310
                   +0 :              -0.00025568672066
                   +1 :               0.00005077956722
                3p
                   -1 :               0.00008872436066
                   +0 :               0.00009196544668
                   +1 :               0.00035751832738
                3d
                   -2 :               0.00000444224908
                   -1 :              -0.00001409514523
                   +0 :               0.00003230512281
                   +1 :              -0.00002823510723
                   +2 :              -0.00002884520762
              8 vec=   -12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00010810602126
                2s
                   +0 :              -0.00130335357704
                3s
                   +0 :               0.00002495441973
                2p
                   -1 :              -0.00004789104583
                   +0 :              -0.00020698379521
                   +1 :               0.00025379342778
                3p
                   -1 :              -0.00028979774800
                   +0 :              -0.00002770358333
                   +1 :               0.00013996536213
                3d
                   -2 :               0.00002558499152
                   -1 :              -0.00005150270207
                   +0 :               0.00004712978921
                   +1 :               0.00001771083821
                   +2 :               0.00003698080531
              9 vec=     3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000217252351
                2s
                   +0 :               0.00006715401276
                3s
                   +0 :               0.00000895947391
                2p
                   -1 :              -0.00008946267298
                   +0 :               0.00004608510356
                   +1 :              -0.00049289015499
                3p
                   -1 :              -0.00009723473726
                   +0 :              -0.00001208531821
                   +1 :               0.00006098388319
                3d
                   -2 :               0.00002451197120
                   -1 :               0.00000472540857
                   +0 :              -0.00001816675343
                   +1 :               0.00000579885077
                   +2 :              -0.00001592538739
             10 vec=     3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000534038258
                2s
                   +0 :               0.00008262757261
                3s
                   +0 :               0.00001300071679
                2p
                   -1 :              -0.00001512774389
                   +0 :               0.00005551944633
                   +1 :              -0.00007559672056
                3p
                   -1 :               0.00012949426309
                   +0 :               0.00008607022159
                   +1 :              -0.00009613777638
                3d
                   -2 :              -0.00002570609409
                   -1 :               0.00001686819402
                   +0 :              -0.00001011904096
                   +1 :              -0.00001314760479
                   +2 :              -0.00001030070585
             11 vec=    10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00010654021746
                2s
                   +0 :               0.00103179870742
                3s
                   +0 :              -0.00024491986244
                2p
                   -1 :              -0.00035270369010
                   +0 :               0.00006531291577
                   +1 :               0.00055405053041
                3p
                   -1 :               0.00019850633717
                   +0 :               0.00000913551029
                   +1 :              -0.00018874068896
                3d
                   -2 :               0.00003010573834
                   -1 :               0.00000317320903
                   +0 :               0.00000605133291
                   +1 :              -0.00001409335043
                   +2 :              -0.00000099167903
             12 vec=    10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00008698866721
                2s
                   +0 :               0.00095745209887
                3s
                   +0 :              -0.00016984659587
                2p
                   -1 :               0.00043925579473
                   +0 :              -0.00009238384794
                   +1 :               0.00041675021850
                3p
                   -1 :              -0.00007778329814
                   +0 :               0.00008142506902
                   +1 :              -0.00010616336947
                3d
                   -2 :               0.00000753316999
                   -1 :               0.00000907036440
                   +0 :              -0.00001559523868
                   +1 :              -0.00000127873317
                   +2 :              -0.00000178144868
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 23)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00071366127411
                2s
                   +0 :              -0.00977488949060
                3s
                   +0 :              -0.00455728517221
                2p
                   -1 :              -0.00406979139388
                   +0 :               0.01614796466475
                   +1 :               0.88275713580668
                3p
                   -1 :               0.00125389638469
                   +0 :              -0.00583751103525
                   +1 :              -0.03881109786554
                3d
                   -2 :              -0.00618013309276
                   -1 :               0.00050890205976
                   +0 :              -0.00119659840126
                   +1 :              -0.00344230223126
                   +2 :              -0.00043009679583
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00010368339636
                2s
                   +0 :              -0.00065011731676
                3s
                   +0 :              -0.00014051856903
                2p
                   -1 :               0.00139465362806
                   +0 :              -0.00085209735085
                   +1 :               0.00217591559028
                3p
                   -1 :              -0.00085906387480
                   +0 :               0.00017921523475
                   +1 :              -0.00082069778434
                3d
                   -2 :               0.00006087654539
                   -1 :               0.00011664202545
                   +0 :               0.00006379724884
                   +1 :              -0.00012402282546
                   +2 :               0.00005812304045
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00006927877207
                2s
                   +0 :              -0.00075342079028
                3s
                   +0 :              -0.00031179209929
                2p
                   -1 :              -0.00254876747665
                   +0 :               0.00067437246686
                   +1 :               0.00126624281355
                3p
                   -1 :              -0.00065270196889
                   +0 :              -0.00111910313431
                   +1 :              -0.00002152728377
                3d
                   -2 :               0.00012904891068
                   -1 :               0.00004290772256
                   +0 :               0.00013682783724
                   +1 :               0.00000393302124
                   +2 :               0.00014182545821
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00002071716296
                2s
                   +0 :              -0.00020015212712
                3s
                   +0 :              -0.00043758472857
                2p
                   -1 :               0.00112772635806
                   +0 :               0.00026278754998
                   +1 :              -0.00038117843068
                3p
                   -1 :              -0.00022126227179
                   +0 :              -0.00007540495428
                   +1 :              -0.00082516889431
                3d
                   -2 :               0.00017530890434
                   -1 :              -0.00001152864424
                   +0 :              -0.00006599887719
                   +1 :              -0.00010887655469
                   +2 :               0.00006025677473
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00024982414392
                2s
                   +0 :              -0.00150986226013
                3s
                   +0 :               0.00098265409382
                2p
                   -1 :              -0.00269137006258
                   +0 :              -0.00022500522123
                   +1 :              -0.00041973010733
                3p
                   -1 :               0.00217834562238
                   +0 :               0.00029164271388
                   +1 :               0.00016583562803
                3d
                   -2 :               0.00017005523189
                   -1 :              -0.00013094128036
                   +0 :              -0.00000040481205
                   +1 :              -0.00007238945487
                   +2 :              -0.00005318676523
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00007429704588
                2s
                   +0 :              -0.00113322087164
                3s
                   +0 :               0.00090156196369
                2p
                   -1 :               0.00137233069225
                   +0 :              -0.00067775037101
                   +1 :              -0.00074612425259
                3p
                   -1 :              -0.00084925676798
                   +0 :               0.00093265956653
                   +1 :               0.00167510335998
                3d
                   -2 :              -0.00015679594860
                   -1 :              -0.00000443288316
                   +0 :              -0.00004297969510
                   +1 :               0.00006818076578
                   +2 :               0.00018677510665
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00048429525551
                2s
                   +0 :               0.00216628974482
                3s
                   +0 :              -0.00030927971096
                2p
                   -1 :               0.00357436499037
                   +0 :               0.00093149057087
                   +1 :               0.00161321309596
                3p
                   -1 :              -0.00004616239353
                   +0 :               0.00000967308021
                   +1 :              -0.00021135178618
                3d
                   -2 :               0.00003731260224
                   -1 :              -0.00022429170572
                   +0 :              -0.00007805970690
                   +1 :               0.00008035516893
                   +2 :              -0.00013220440076
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00016384514867
                2s
                   +0 :              -0.00151767597590
                3s
                   +0 :               0.00037142396418
                2p
                   -1 :              -0.00007132267952
                   +0 :              -0.00026253708351
                   +1 :               0.00106282068000
                3p
                   -1 :               0.00014727634152
                   +0 :               0.00014486591107
                   +1 :              -0.00027645322284
                3d
                   -2 :              -0.00001486447621
                   -1 :               0.00002067985641
                   +0 :               0.00002603736543
                   +1 :              -0.00000483721042
                   +2 :              -0.00003153383997
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00007831327644
                2s
                   +0 :              -0.00080022363625
                3s
                   +0 :               0.00014510745515
                2p
                   -1 :               0.00046929567222
                   +0 :               0.00025123318965
                   +1 :               0.00024283457596
                3p
                   -1 :              -0.00002943054416
                   +0 :              -0.00018703325160
                   +1 :              -0.00008639049495
                3d
                   -2 :               0.00000646098659
                   -1 :              -0.00000467622552
                   +0 :               0.00000683293060
                   +1 :              -0.00000649851861
                   +2 :               0.00001006014904
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001044254161
                2s
                   +0 :               0.00001951873750
                3s
                   +0 :              -0.00005188359625
                2p
                   -1 :              -0.00005921233436
                   +0 :               0.00000657864558
                   +1 :              -0.00021986293535
                3p
                   -1 :              -0.00004868196822
                   +0 :              -0.00002846482046
                   +1 :               0.00016640657611
                3d
                   -2 :               0.00000670867414
                   -1 :               0.00000184348339
                   +0 :               0.00000294997510
                   +1 :              -0.00000683938372
                   +2 :              -0.00000318359660
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004551741120
                2s
                   +0 :               0.00061295785580
                3s
                   +0 :              -0.00003568533433
                2p
                   -1 :              -0.00056720367379
                   +0 :              -0.00013057019142
                   +1 :               0.00013268343031
                3p
                   -1 :               0.00005616460410
                   +0 :               0.00003907255648
                   +1 :              -0.00007271264868
                3d
                   -2 :               0.00000248270426
                   -1 :               0.00003916391407
                   +0 :              -0.00001511142718
                   +1 :               0.00000814582489
                   +2 :              -0.00003685528594
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001279323714
                2s
                   +0 :               0.00007569084610
                3s
                   +0 :               0.00005613290105
                2p
                   -1 :               0.00029558996634
                   +0 :               0.00012131799668
                   +1 :               0.00005715395451
                3p
                   -1 :              -0.00004666692833
                   +0 :              -0.00007295868993
                   +1 :               0.00000308751371
                3d
                   -2 :               0.00000420576342
                   -1 :              -0.00001585115179
                   +0 :              -0.00000017343415
                   +1 :              -0.00000098254249
                   +2 :              -0.00000153111154
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00006414887834
                2s
                   +0 :               0.00085419042694
                3s
                   +0 :              -0.00005416760735
                2p
                   -1 :               0.00022536504727
                   +0 :              -0.00006875450852
                   +1 :               0.00097744352491
                3p
                   -1 :              -0.00020186985006
                   +0 :               0.00020358905989
                   +1 :              -0.00031641904753
                3d
                   -2 :              -0.00004534740893
                   -1 :              -0.00002312550658
                   +0 :               0.00000854044029
                   +1 :               0.00005418392213
                   +2 :              -0.00000381881932
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002309167149
                2s
                   +0 :              -0.00022546788336
                3s
                   +0 :               0.00004044120291
                2p
                   -1 :               0.00004358575570
                   +0 :              -0.00003007576666
                   +1 :               0.00025019246331
                3p
                   -1 :               0.00000386345755
                   +0 :              -0.00000660705739
                   +1 :              -0.00009765451990
                3d
                   -2 :               0.00000366951237
                   -1 :              -0.00000498890752
                   +0 :               0.00000337513630
                   +1 :              -0.00000079574138
                   +2 :               0.00000380535701
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002908962947
                2s
                   +0 :              -0.00030779390984
                3s
                   +0 :               0.00004953801306
                2p
                   -1 :              -0.00017011623881
                   +0 :              -0.00002534961144
                   +1 :               0.00017502111488
                3p
                   -1 :               0.00001006378009
                   +0 :               0.00000195548875
                   +1 :              -0.00002806891602
                3d
                   -2 :               0.00000140592006
                   -1 :               0.00001099790404
                   +0 :               0.00000125046584
                   +1 :              -0.00000089040120
                   +2 :               0.00000019720575
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000420788878
                2s
                   +0 :              -0.00004380935037
                3s
                   +0 :               0.00000487055852
                2p
                   -1 :               0.00006498398425
                   +0 :               0.00002874441293
                   +1 :              -0.00007237821767
                3p
                   -1 :              -0.00002878576232
                   +0 :              -0.00003750968857
                   +1 :              -0.00000194091579
                3d
                   -2 :               0.00000218449454
                   -1 :               0.00000507908333
                   +0 :               0.00000155854446
                   +1 :              -0.00000104231925
                   +2 :              -0.00000435549661
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000529652779
                2s
                   +0 :               0.00002681597296
                3s
                   +0 :              -0.00001754138544
                2p
                   -1 :               0.00004245094048
                   +0 :               0.00004354331252
                   +1 :              -0.00009390350006
                3p
                   -1 :              -0.00003852021059
                   +0 :              -0.00002480224693
                   +1 :               0.00002461494952
                3d
                   -2 :              -0.00000119415079
                   -1 :              -0.00000011621900
                   +0 :               0.00000176851332
                   +1 :               0.00000149813202
                   +2 :               0.00000052924127
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00003002134674
                2s
                   +0 :               0.00028624310952
                3s
                   +0 :              -0.00006543225106
                2p
                   -1 :              -0.00008055622308
                   +0 :              -0.00000333684634
                   +1 :               0.00016968075390
                3p
                   -1 :               0.00001097540625
                   +0 :               0.00003302925806
                   +1 :              -0.00003949451090
                3d
                   -2 :              -0.00000125388535
                   -1 :              -0.00000348884395
                   +0 :              -0.00001287358291
                   +1 :               0.00000091216144
                   +2 :              -0.00000468939934
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001747352727
                2s
                   +0 :               0.00021938508321
                3s
                   +0 :              -0.00000051605650
                2p
                   -1 :               0.00012653677458
                   +0 :               0.00001299602944
                   +1 :               0.00010189798112
                3p
                   -1 :              -0.00000446387147
                   +0 :               0.00002074154375
                   +1 :               0.00001886081524
                3d
                   -2 :              -0.00000287554279
                   -1 :              -0.00000489719089
                   +0 :              -0.00000177702603
                   +1 :               0.00000798081000
                   +2 :               0.00000334403942
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 24)  npairs=  12
              1 vec=    -2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00185445983130
                2s
                   +0 :              -0.05825797620917
                3s
                   +0 :               0.00453053193917
                2p
                   -1 :               0.04750303949432
                   +0 :              -0.00471810900646
                   +1 :               0.00727004521717
                3p
                   -1 :              -0.00914895066085
                   +0 :               0.00284707827093
                   +1 :              -0.00090062470435
                3d
                   -2 :              -0.00147584274636
                   -1 :              -0.00032963106614
                   +0 :               0.00057903833358
                   +1 :               0.00037836613053
                   +2 :               0.00114734213168
              2 vec=    -2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00209156247933
                2s
                   +0 :              -0.02402029272716
                3s
                   +0 :               0.00560332038522
                2p
                   -1 :              -0.01076226075477
                   +0 :               0.00223349841977
                   +1 :               0.00188351725434
                3p
                   -1 :               0.00240288829549
                   +0 :              -0.00043075248787
                   +1 :               0.00063128139014
                3d
                   -2 :              -0.00025418428966
                   -1 :              -0.00021102157702
                   +0 :              -0.00063297139370
                   +1 :              -0.00022650346639
                   +2 :              -0.00023048851891
              3 vec=     5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00023855503657
                2s
                   +0 :               0.04320563216133
                3s
                   +0 :               0.00362165786189
                2p
                   -1 :               0.00167905018330
                   +0 :               0.00615462327089
                   +1 :               0.03876501964087
                3p
                   -1 :               0.00465030535898
                   +0 :              -0.00498892722650
                   +1 :               0.00386511632743
                3d
                   -2 :               0.00079372116120
                   -1 :              -0.00016114801180
                   +0 :              -0.00168016484110
                   +1 :              -0.00087227142019
                   +2 :               0.00303842746105
              4 vec=   -10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00041757949673
                2s
                   +0 :              -0.00481590356702
                3s
                   +0 :               0.00001775491553
                2p
                   -1 :              -0.00070053704421
                   +0 :               0.00024219162477
                   +1 :               0.00391295917533
                3p
                   -1 :              -0.00008262511996
                   +0 :              -0.00043944667100
                   +1 :               0.00041225376675
                3d
                   -2 :               0.00015092635596
                   -1 :               0.00012771223511
                   +0 :               0.00015122549262
                   +1 :               0.00002840828722
                   +2 :              -0.00030541512896
              5 vec=     5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00068818580589
                2s
                   +0 :               0.00539704470451
                3s
                   +0 :              -0.00168257166423
                2p
                   -1 :              -0.00614533182057
                   +0 :              -0.00020202469155
                   +1 :               0.00150692356175
                3p
                   -1 :               0.00120199898246
                   +0 :               0.00029733051039
                   +1 :               0.00090424248468
                3d
                   -2 :              -0.00018421702818
                   -1 :               0.00005342162744
                   +0 :              -0.00034451694932
                   +1 :              -0.00013813301090
                   +2 :              -0.00010564894926
              6 vec=     5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00021478521938
                2s
                   +0 :               0.00200300018940
                3s
                   +0 :              -0.00048858551931
                2p
                   -1 :               0.00212917086395
                   +0 :               0.00047459164727
                   +1 :               0.00028158805032
                3p
                   -1 :              -0.00073617250598
                   +0 :              -0.00020169984286
                   +1 :              -0.00024228550128
                3d
                   -2 :              -0.00002680107702
                   -1 :               0.00001288418113
                   +0 :              -0.00005020938403
                   +1 :              -0.00003723555283
                   +2 :              -0.00004208067832
              7 vec=   -10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00009574830867
                2s
                   +0 :              -0.00124163224435
                3s
                   +0 :               0.00012640458205
                2p
                   -1 :               0.00018685595792
                   +0 :               0.00003860221032
                   +1 :               0.00010205509567
                3p
                   -1 :               0.00014660635502
                   +0 :              -0.00012605281943
                   +1 :               0.00019140895925
                3d
                   -2 :              -0.00004462252350
                   -1 :              -0.00000099824157
                   +0 :               0.00004731353181
                   +1 :               0.00000628836574
                   +2 :               0.00002745002553
              8 vec=    -2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00001495701889
                2s
                   +0 :              -0.00035515019533
                3s
                   +0 :              -0.00008781034064
                2p
                   -1 :               0.00009176645505
                   +0 :              -0.00020063902802
                   +1 :              -0.00063019322858
                3p
                   -1 :               0.00025299565235
                   +0 :               0.00007789250982
                   +1 :               0.00016235729192
                3d
                   -2 :               0.00000161012423
                   -1 :              -0.00000604496998
                   +0 :               0.00001860155171
                   +1 :               0.00002387218264
                   +2 :               0.00002423197545
              9 vec=   -10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00007483308738
                2s
                   +0 :              -0.00080356413325
                3s
                   +0 :               0.00012158097242
                2p
                   -1 :              -0.00052263035675
                   +0 :               0.00003358606830
                   +1 :               0.00006219798353
                3p
                   -1 :               0.00011201243073
                   +0 :               0.00002747717544
                   +1 :               0.00001285292922
                3d
                   -2 :               0.00003091686629
                   -1 :               0.00002037676914
                   +0 :              -0.00000050993461
                   +1 :              -0.00000621997617
                   +2 :              -0.00000126177379
             10 vec=    13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00011468374468
                2s
                   +0 :               0.00111119234106
                3s
                   +0 :              -0.00039548160623
                2p
                   -1 :              -0.00059855752196
                   +0 :               0.00024923160780
                   +1 :               0.00090045901345
                3p
                   -1 :               0.00028853685526
                   +0 :              -0.00011073802062
                   +1 :              -0.00045386912760
                3d
                   -2 :               0.00001435355548
                   -1 :               0.00001674897524
                   +0 :               0.00002451012185
                   +1 :               0.00001041674789
                   +2 :               0.00001107614320
             11 vec=    -2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00000398314525
                2s
                   +0 :              -0.00010445006328
                3s
                   +0 :              -0.00001068547213
                2p
                   -1 :              -0.00003868727742
                   +0 :               0.00005005638701
                   +1 :              -0.00001216115181
                3p
                   -1 :              -0.00003636146794
                   +0 :              -0.00006116349620
                   +1 :              -0.00005373308869
                3d
                   -2 :              -0.00001978215546
                   -1 :              -0.00000817344992
                   +0 :               0.00001432565808
                   +1 :               0.00001985446187
                   +2 :               0.00001990885846
             12 vec=    13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00007484050187
                2s
                   +0 :               0.00094984367535
                3s
                   +0 :              -0.00013392214339
                2p
                   -1 :               0.00033986048339
                   +0 :              -0.00005513053996
                   +1 :               0.00037317991314
                3p
                   -1 :              -0.00014150843583
                   +0 :               0.00012092420582
                   +1 :               0.00003785632338
                3d
                   -2 :              -0.00000092614477
                   -1 :               0.00002167231251
                   +0 :              -0.00000277572754
                   +1 :              -0.00001865865623
                   +2 :               0.00000816229111
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 25)  npairs=  14
              1 vec=    -2.593388      1.739555     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00027919939670
                2s
                   +0 :              -0.02961555472874
                3s
                   +0 :              -0.00089818206715
                2p
                   -1 :              -0.00269592589959
                   +0 :               0.01877578367518
                   +1 :               0.00549792332476
                3p
                   -1 :              -0.00688460092613
                   +0 :              -0.00015426031388
                   +1 :               0.00216337165037
                3d
                   -2 :               0.00079585771794
                   -1 :               0.00106007123260
                   +0 :              -0.00062413314630
                   +1 :              -0.00159402436989
                   +2 :               0.00027272118451
              2 vec=     5.186775     -2.752324     -4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00130194867370
                2s
                   +0 :               0.01172817069561
                3s
                   +0 :              -0.00549306715730
                2p
                   -1 :              -0.00671573157962
                   +0 :              -0.01236351990848
                   +1 :               0.01445143321888
                3p
                   -1 :               0.00406366141907
                   +0 :               0.00803974103361
                   +1 :              -0.01139113244953
                3d
                   -2 :               0.00058705848177
                   -1 :              -0.00056618496470
                   +0 :              -0.00038461681346
                   +1 :               0.00103096409654
                   +2 :              -0.00047027901242
              3 vec=    -2.593388     -7.244203     -4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00028555690167
                2s
                   +0 :              -0.00193182980292
                3s
                   +0 :               0.00068425096238
                2p
                   -1 :               0.00033517311798
                   +0 :               0.00216113471991
                   +1 :              -0.00218519457637
                3p
                   -1 :              -0.00005871077479
                   +0 :               0.00009190195966
                   +1 :               0.00122007696801
                3d
                   -2 :              -0.00008514496124
                   -1 :              -0.00012570641029
                   +0 :              -0.00019652556137
                   +1 :               0.00011113531523
                   +2 :               0.00002595568156
              4 vec=     5.186775      6.231434     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00023086283611
                2s
                   +0 :               0.00251432365252
                3s
                   +0 :              -0.00007364125126
                2p
                   -1 :               0.00054193996111
                   +0 :              -0.00134083558023
                   +1 :               0.00192160810665
                3p
                   -1 :               0.00090645283487
                   +0 :               0.00022134976456
                   +1 :              -0.00124804509150
                3d
                   -2 :               0.00006061545635
                   -1 :              -0.00003929607573
                   +0 :               0.00005974867632
                   +1 :               0.00002038701581
                   +2 :              -0.00001184275958
              5 vec=   -10.373550     -2.752324     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00018151795639
                2s
                   +0 :               0.00064310446343
                3s
                   +0 :              -0.00080407620454
                2p
                   -1 :               0.00057543048062
                   +0 :               0.00029043663308
                   +1 :              -0.00119377718304
                3p
                   -1 :              -0.00023534894294
                   +0 :               0.00017119672478
                   +1 :               0.00153723521980
                3d
                   -2 :               0.00000885854895
                   -1 :              -0.00005292108837
                   +0 :               0.00003935096529
                   +1 :               0.00001812128227
                   +2 :              -0.00008948900280
              6 vec=    -2.593388     10.723313     -4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00001855376469
                2s
                   +0 :              -0.00024728362387
                3s
                   +0 :               0.00007303165798
                2p
                   -1 :              -0.00032244647000
                   +0 :               0.00009433964913
                   +1 :               0.00015392860160
                3p
                   -1 :               0.00023150533160
                   +0 :              -0.00001036598247
                   +1 :              -0.00033183638181
                3d
                   -2 :              -0.00004381035746
                   -1 :               0.00000353970783
                   +0 :              -0.00003847176893
                   +1 :              -0.00000125610589
                   +2 :              -0.00001846334008
              7 vec=   -10.373550      6.231434     -4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00001772003015
                2s
                   +0 :              -0.00066844149766
                3s
                   +0 :              -0.00008755067346
                2p
                   -1 :               0.00045015582735
                   +0 :               0.00001977612323
                   +1 :              -0.00024912938191
                3p
                   -1 :              -0.00044521214213
                   +0 :               0.00008687501022
                   +1 :               0.00046841715154
                3d
                   -2 :               0.00001052754887
                   -1 :              -0.00000647479389
                   +0 :               0.00001460520244
                   +1 :              -0.00001932042156
                   +2 :              -0.00001369440637
              8 vec=     5.186775    -11.736082     -4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00005482495913
                2s
                   +0 :               0.00046902375806
                3s
                   +0 :              -0.00009530095765
                2p
                   -1 :               0.00002420766340
                   +0 :               0.00008729872668
                   +1 :               0.00044998583155
                3p
                   -1 :              -0.00003854067002
                   +0 :              -0.00024520451806
                   +1 :              -0.00050698701057
                3d
                   -2 :               0.00003614931843
                   -1 :               0.00004260810556
                   +0 :               0.00001538058884
                   +1 :              -0.00001563615941
                   +2 :              -0.00004500313334
              9 vec=    12.966938      1.739555     -4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00001433834654
                2s
                   +0 :               0.00085139625295
                3s
                   +0 :               0.00013178483412
                2p
                   -1 :               0.00005601182689
                   +0 :              -0.00034808393579
                   +1 :               0.00097977334248
                3p
                   -1 :               0.00000356734712
                   +0 :               0.00010938288822
                   +1 :              -0.00057277789043
                3d
                   -2 :               0.00001930227150
                   -1 :               0.00002292936509
                   +0 :               0.00001441061737
                   +1 :               0.00002304373122
                   +2 :              -0.00000945586518
             10 vec=    12.966938     -7.244203     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00001497440887
                2s
                   +0 :               0.00000003466733
                3s
                   +0 :               0.00014251872149
                2p
                   -1 :               0.00013968494420
                   +0 :              -0.00006138316033
                   +1 :              -0.00016238633577
                3p
                   -1 :              -0.00015780922806
                   +0 :               0.00000816395431
                   +1 :               0.00021992254056
                3d
                   -2 :              -0.00001647469779
                   -1 :               0.00000417504704
                   +0 :               0.00000879589083
                   +1 :              -0.00000198421081
                   +2 :               0.00000172270408
             11 vec=   -10.373550    -11.736082     -4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00000877390473
                2s
                   +0 :              -0.00006298134390
                3s
                   +0 :              -0.00008394248896
                2p
                   -1 :              -0.00003263233441
                   +0 :               0.00010645341343
                   +1 :              -0.00020761952429
                3p
                   -1 :               0.00013493153123
                   +0 :              -0.00001195838901
                   +1 :               0.00024048558967
                3d
                   -2 :              -0.00002142324802
                   -1 :              -0.00000080418909
                   +0 :               0.00001508147597
                   +1 :              -0.00000396288006
                   +2 :               0.00000198796388
             12 vec=     5.186775     15.215192     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00000539692793
                2s
                   +0 :               0.00005427626809
                3s
                   +0 :              -0.00000849303770
                2p
                   -1 :               0.00006261322422
                   +0 :               0.00007957466406
                   +1 :              -0.00008591905417
                3p
                   -1 :              -0.00004106587442
                   +0 :              -0.00005682568778
                   +1 :               0.00003176500835
                3d
                   -2 :               0.00000205165187
                   -1 :              -0.00000289829127
                   +0 :               0.00000267216879
                   +1 :              -0.00000003445094
                   +2 :               0.00000096431515
             13 vec=    -2.593388    -16.227961     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00001293967403
                2s
                   +0 :              -0.00010985050435
                3s
                   +0 :               0.00002664431699
                2p
                   -1 :               0.00005210331967
                   +0 :              -0.00003330604256
                   +1 :               0.00000266643069
                3p
                   -1 :              -0.00002565626254
                   +0 :               0.00003025356367
                   +1 :              -0.00001668557081
                3d
                   -2 :               0.00000765875876
                   -1 :              -0.00000233996998
                   +0 :              -0.00000025003283
                   +1 :               0.00000090986252
                   +2 :              -0.00000335166267
             14 vec=    12.966938     10.723313     -4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00003389003101
                2s
                   +0 :               0.00033570571228
                3s
                   +0 :              -0.00006733827369
                2p
                   -1 :              -0.00003580475695
                   +0 :              -0.00005573380349
                   +1 :               0.00018898575675
                3p
                   -1 :               0.00005845332285
                   +0 :              -0.00001844389859
                   +1 :              -0.00010201590270
                3d
                   -2 :               0.00000491990824
                   -1 :              -0.00000253287543
                   +0 :               0.00000593167005
                   +1 :              -0.00000152352818
                   +2 :               0.00000085425900
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 26)  npairs=  14
              1 vec=     0.419610     -2.752324     -4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00073503131672
                2s
                   +0 :               0.01092634005391
                3s
                   +0 :              -0.00208925127064
                2p
                   -1 :              -0.00420493551546
                   +0 :              -0.00470524124479
                   +1 :              -0.00850204200331
                3p
                   -1 :               0.00367273575326
                   +0 :              -0.00177068626812
                   +1 :              -0.00389959879630
                3d
                   -2 :               0.00135508585056
                   -1 :               0.00037873488601
                   +0 :               0.00104818645021
                   +1 :               0.00174904997479
                   +2 :              -0.00016241740453
              2 vec=     0.419610      6.231434     -4.091257   |vec|=    7.466273
                1s
                   +0 :               0.00028939621555
                2s
                   +0 :              -0.00190381653151
                3s
                   +0 :               0.00111345402918
                2p
                   -1 :               0.00040482418532
                   +0 :               0.00120016590224
                   +1 :              -0.00194766452981
                3p
                   -1 :              -0.00022012546440
                   +0 :              -0.00094284509133
                   +1 :               0.00088483154428
                3d
                   -2 :               0.00000688010458
                   -1 :               0.00001667000321
                   +0 :              -0.00003381692155
                   +1 :               0.00004898705215
                   +2 :              -0.00001866093718
              3 vec=    -7.360553      1.739555     -4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00046882579051
                2s
                   +0 :              -0.00249494810640
                3s
                   +0 :               0.00082466068012
                2p
                   -1 :              -0.00094408411762
                   +0 :               0.00049146032885
                   +1 :               0.00234930206097
                3p
                   -1 :               0.00059168733253
                   +0 :               0.00109334201269
                   +1 :              -0.00133024828754
                3d
                   -2 :              -0.00011257760114
                   -1 :               0.00005791590399
                   +0 :              -0.00027909340965
                   +1 :               0.00014257167264
                   +2 :               0.00007848686062
              4 vec=     8.199773      1.739555     -4.091257   |vec|=    9.327417
                1s
                   +0 :              -0.00074699987882
                2s
                   +0 :               0.00476814930594
                3s
                   +0 :              -0.00172563052750
                2p
                   -1 :               0.00137582553341
                   +0 :              -0.00203979665845
                   +1 :               0.00174150912297
                3p
                   -1 :              -0.00105113097014
                   +0 :               0.00038933129467
                   +1 :              -0.00054473088332
                3d
                   -2 :              -0.00014347089930
                   -1 :              -0.00008220283397
                   +0 :               0.00012758601115
                   +1 :               0.00008678145816
                   +2 :              -0.00007993808717
              5 vec=    -7.360553     -7.244203     -4.091257   |vec|=   11.108312
                1s
                   +0 :              -0.00006420785606
                2s
                   +0 :              -0.00018818393178
                3s
                   +0 :              -0.00013494773506
                2p
                   -1 :               0.00165823756843
                   +0 :               0.00046267578285
                   +1 :               0.00076846862546
                3p
                   -1 :              -0.00125454699289
                   +0 :              -0.00021292007652
                   +1 :              -0.00055824131344
                3d
                   -2 :               0.00014855104108
                   -1 :              -0.00002566295000
                   +0 :              -0.00020213108422
                   +1 :              -0.00001300431832
                   +2 :              -0.00003168974677
              6 vec=     8.199773     -7.244203     -4.091257   |vec|=   11.681316
                1s
                   +0 :               0.00004682979775
                2s
                   +0 :              -0.00010540878555
                3s
                   +0 :               0.00022017773907
                2p
                   -1 :              -0.00014258887624
                   +0 :               0.00048395547649
                   +1 :              -0.00029555701420
                3p
                   -1 :              -0.00001540675241
                   +0 :              -0.00037857383781
                   +1 :               0.00040253336538
                3d
                   -2 :              -0.00013714826010
                   -1 :               0.00009605383421
                   +0 :              -0.00007008270908
                   +1 :               0.00003342574302
                   +2 :              -0.00000375796808
              7 vec=     0.419610    -11.736082     -4.091257   |vec|=   12.435838
                1s
                   +0 :              -0.00005116048449
                2s
                   +0 :               0.00019951680584
                3s
                   +0 :              -0.00026684725532
                2p
                   -1 :              -0.00037994352944
                   +0 :               0.00011233069599
                   +1 :              -0.00043357122771
                3p
                   -1 :               0.00040882418622
                   +0 :               0.00011795318902
                   +1 :               0.00031463987707
                3d
                   -2 :              -0.00003780942363
                   -1 :              -0.00002294350000
                   +0 :               0.00000294365212
                   +1 :               0.00002650150818
                   +2 :               0.00000739713712
              8 vec=    -7.360553     10.723313     -4.091257   |vec|=   13.634719
                1s
                   +0 :               0.00001984138508
                2s
                   +0 :              -0.00036357790710
                3s
                   +0 :              -0.00004416210961
                2p
                   -1 :              -0.00048933624058
                   +0 :              -0.00030190474065
                   +1 :              -0.00015255232955
                3p
                   -1 :               0.00003499543622
                   +0 :               0.00020557811748
                   +1 :               0.00015387022071
                3d
                   -2 :               0.00002940766244
                   -1 :               0.00000708951093
                   +0 :               0.00003196969262
                   +1 :               0.00001431947798
                   +2 :               0.00003227200203
              9 vec=     8.199773     10.723313     -4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00009934031886
                2s
                   +0 :               0.00091810207760
                3s
                   +0 :              -0.00019437273902
                2p
                   -1 :               0.00037193461227
                   +0 :               0.00020321628958
                   +1 :               0.00010320862284
                3p
                   -1 :              -0.00000297146094
                   +0 :              -0.00015529994811
                   +1 :               0.00007659960849
                3d
                   -2 :               0.00001398170617
                   -1 :              -0.00000066499909
                   +0 :              -0.00000532190891
                   +1 :               0.00001063140680
                   +2 :              -0.00000886299961
             10 vec=     0.419610     15.215192     -4.091257   |vec|=   15.761235
                1s
                   +0 :              -0.00000066996564
                2s
                   +0 :               0.00002035582852
                3s
                   +0 :              -0.00000090643904
                2p
                   -1 :              -0.00001662939783
                   +0 :              -0.00004733718841
                   +1 :              -0.00006211561750
                3p
                   -1 :               0.00001692006991
                   +0 :               0.00004731741585
                   +1 :               0.00001332540153
                3d
                   -2 :              -0.00000078883705
                   -1 :               0.00000057979853
                   +0 :              -0.00000299608974
                   +1 :              -0.00000428534639
                   +2 :              -0.00000712415731
             11 vec=   -15.140715     -2.752324     -4.091257   |vec|=   15.923408
                1s
                   +0 :               0.00009510989539
                2s
                   +0 :              -0.00071558895392
                3s
                   +0 :               0.00024304420652
                2p
                   -1 :               0.00031900734876
                   +0 :               0.00008140864459
                   +1 :               0.00039975068197
                3p
                   -1 :              -0.00021055808839
                   +0 :              -0.00004852128769
                   +1 :              -0.00017026128828
                3d
                   -2 :               0.00001880371951
                   -1 :               0.00001423689069
                   +0 :               0.00001988676132
                   +1 :              -0.00000776836402
                   +2 :              -0.00000213211285
             12 vec=    15.979935     -2.752324     -4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00002671408553
                2s
                   +0 :               0.00026883469678
                3s
                   +0 :              -0.00005893065263
                2p
                   -1 :               0.00006942203584
                   +0 :              -0.00012361323836
                   +1 :               0.00043849281750
                3p
                   -1 :              -0.00011840277222
                   +0 :               0.00007452658023
                   +1 :              -0.00032660523983
                3d
                   -2 :              -0.00000445076930
                   -1 :               0.00000639796949
                   +0 :               0.00000792142419
                   +1 :               0.00000842494833
                   +2 :              -0.00001970550328
             13 vec=   -15.140715      6.231434     -4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00004818525195
                2s
                   +0 :              -0.00043006859768
                3s
                   +0 :               0.00010745217920
                2p
                   -1 :              -0.00000018961525
                   +0 :               0.00003461274754
                   +1 :               0.00024413820141
                3p
                   -1 :              -0.00005258405808
                   +0 :              -0.00000578874994
                   +1 :              -0.00010196931136
                3d
                   -2 :               0.00000541750718
                   -1 :              -0.00000478602076
                   +0 :               0.00000104427815
                   +1 :              -0.00000013076150
                   +2 :               0.00000834815205
             14 vec=    15.979935      6.231434     -4.091257   |vec|=   17.633136
                1s
                   +0 :              -0.00002800815223
                2s
                   +0 :               0.00026849970048
                3s
                   +0 :              -0.00003794718248
                2p
                   -1 :               0.00006807274679
                   +0 :               0.00000272340736
                   +1 :               0.00000540970149
                3p
                   -1 :               0.00001045428029
                   +0 :              -0.00001879483293
                   +1 :               0.00005599152453
                3d
                   -2 :               0.00000650066382
                   -1 :              -0.00000156677952
                   +0 :              -0.00000154366443
                   +1 :               0.00000254478163
                   +2 :              -0.00000753098168
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 27)  npairs=  14
              1 vec=     2.803193      1.376162     -4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00069935751378
                2s
                   +0 :               0.03493533982058
                3s
                   +0 :               0.00007335594586
                2p
                   -1 :               0.00783357375936
                   +0 :              -0.02121119733734
                   +1 :               0.00514687458087
                3p
                   -1 :               0.00086503502346
                   +0 :              -0.00169476961352
                   +1 :               0.00142678573728
                3d
                   -2 :               0.00060808352955
                   -1 :              -0.00135869801250
                   +0 :               0.00169798345637
                   +1 :              -0.00149978272821
                   +2 :               0.00001885140285
              2 vec=    -4.976970     -3.115717     -4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00184405351827
                2s
                   +0 :              -0.01193652222350
                3s
                   +0 :               0.00617812029461
                2p
                   -1 :               0.00240234940205
                   +0 :               0.00131604505090
                   +1 :               0.01154198419447
                3p
                   -1 :              -0.00095352400373
                   +0 :              -0.00040168142295
                   +1 :              -0.00905929293084
                3d
                   -2 :               0.00038765214009
                   -1 :               0.00016975958248
                   +0 :              -0.00020629679915
                   +1 :               0.00015286382172
                   +2 :               0.00042875695025
              3 vec=    -4.976970      5.868041     -4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00041909193485
                2s
                   +0 :              -0.00347606680011
                3s
                   +0 :               0.00059373315209
                2p
                   -1 :              -0.00364401120070
                   +0 :              -0.00085958511473
                   +1 :               0.00226635164856
                3p
                   -1 :               0.00136257794689
                   +0 :               0.00069346736986
                   +1 :              -0.00095760580372
                3d
                   -2 :               0.00005572535765
                   -1 :               0.00010835341461
                   +0 :               0.00002949322562
                   +1 :               0.00007980597606
                   +2 :               0.00002381190842
              4 vec=     2.803193     -7.607596     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00007742798899
                2s
                   +0 :               0.00021277942213
                3s
                   +0 :              -0.00010636267419
                2p
                   -1 :               0.00245392150393
                   +0 :              -0.00230170418276
                   +1 :              -0.00278655654289
                3p
                   -1 :              -0.00226913562605
                   +0 :               0.00096344361612
                   +1 :               0.00178586815188
                3d
                   -2 :              -0.00003286613534
                   -1 :              -0.00000330324138
                   +0 :               0.00000250588717
                   +1 :              -0.00007792972130
                   +2 :              -0.00002675983640
              5 vec=     2.803193     10.359920     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00014338141054
                2s
                   +0 :               0.00107989547385
                3s
                   +0 :              -0.00040424791328
                2p
                   -1 :               0.00073988690039
                   +0 :               0.00001688294094
                   +1 :              -0.00035059956309
                3p
                   -1 :              -0.00052081180681
                   +0 :              -0.00011258445628
                   +1 :               0.00013628404094
                3d
                   -2 :               0.00000540520377
                   -1 :               0.00001048771714
                   +0 :              -0.00002918226914
                   +1 :              -0.00003037252067
                   +2 :               0.00004852431925
              6 vec=    10.583355     -3.115717     -4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00004483013015
                2s
                   +0 :               0.00053466274752
                3s
                   +0 :              -0.00007829579876
                2p
                   -1 :              -0.00069523389642
                   +0 :              -0.00064565675312
                   +1 :              -0.00070357997717
                3p
                   -1 :               0.00049087908770
                   +0 :               0.00044182078223
                   +1 :               0.00067843178488
                3d
                   -2 :              -0.00000521080462
                   -1 :               0.00001255302483
                   +0 :               0.00001966846952
                   +1 :               0.00006489239236
                   +2 :               0.00010208130357
              7 vec=    10.583355      5.868041     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00004743510001
                2s
                   +0 :               0.00088773429819
                3s
                   +0 :              -0.00013337955200
                2p
                   -1 :               0.00000973168216
                   +0 :               0.00035666260748
                   +1 :               0.00005326397601
                3p
                   -1 :              -0.00000045906192
                   +0 :              -0.00031060477650
                   +1 :               0.00001020565557
                3d
                   -2 :              -0.00004655336759
                   -1 :              -0.00001398245721
                   +0 :               0.00003994245785
                   +1 :               0.00000826441075
                   +2 :               0.00000919409015
              8 vec=   -12.757133      1.376162     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00015346347519
                2s
                   +0 :              -0.00179147546655
                3s
                   +0 :               0.00019844224738
                2p
                   -1 :              -0.00051834091483
                   +0 :               0.00067425628234
                   +1 :               0.00031342632510
                3p
                   -1 :               0.00041111792861
                   +0 :              -0.00010514183279
                   +1 :               0.00005839715623
                3d
                   -2 :               0.00000910123654
                   -1 :               0.00000145257579
                   +0 :              -0.00003621754244
                   +1 :              -0.00003192600163
                   +2 :              -0.00004563003134
              9 vec=    -4.976970    -12.099475     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00008012327276
                2s
                   +0 :              -0.00069440917379
                3s
                   +0 :               0.00016795955970
                2p
                   -1 :               0.00029611973469
                   +0 :               0.00035451577269
                   +1 :               0.00020884076879
                3p
                   -1 :              -0.00019257910285
                   +0 :              -0.00011221746576
                   +1 :              -0.00024443711990
                3d
                   -2 :               0.00002788263976
                   -1 :              -0.00000649634904
                   +0 :              -0.00001594979086
                   +1 :               0.00002114775229
                   +2 :              -0.00001873040320
             10 vec=   -12.757133     -7.607596     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00005001913567
                2s
                   +0 :              -0.00042819955710
                3s
                   +0 :               0.00009199387765
                2p
                   -1 :               0.00013844439052
                   +0 :               0.00011933275702
                   +1 :               0.00009535392640
                3p
                   -1 :              -0.00004583425979
                   +0 :              -0.00005724870050
                   +1 :               0.00003103506721
                3d
                   -2 :              -0.00000660910902
                   -1 :               0.00000923637907
                   +0 :               0.00000999815028
                   +1 :              -0.00000156556641
                   +2 :              -0.00001701322851
             11 vec=    -4.976970     14.851799     -4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00001399437559
                2s
                   +0 :               0.00007345421391
                3s
                   +0 :              -0.00007142759293
                2p
                   -1 :               0.00004278020955
                   +0 :              -0.00001861476573
                   +1 :              -0.00003359177741
                3p
                   -1 :              -0.00006138630073
                   +0 :               0.00000954662186
                   +1 :              -0.00001714062278
                3d
                   -2 :              -0.00000688073647
                   -1 :               0.00000248874768
                   +0 :               0.00000180832458
                   +1 :               0.00000563756776
                   +2 :               0.00000143820083
             12 vec=    10.583355    -12.099475     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00002171217136
                2s
                   +0 :               0.00018311640684
                3s
                   +0 :              -0.00004106151069
                2p
                   -1 :              -0.00011445074515
                   +0 :               0.00013509229356
                   +1 :               0.00010288016285
                3p
                   -1 :               0.00002639890310
                   +0 :              -0.00016281012355
                   +1 :              -0.00005507578789
                3d
                   -2 :               0.00000051842552
                   -1 :               0.00000674900091
                   +0 :              -0.00000520327841
                   +1 :              -0.00000734534495
                   +2 :               0.00000710877121
             13 vec=   -12.757133     10.359920     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00003790989113
                2s
                   +0 :              -0.00033820750869
                3s
                   +0 :               0.00006606064796
                2p
                   -1 :              -0.00017605890099
                   +0 :               0.00004503206804
                   +1 :               0.00005469372623
                3p
                   -1 :               0.00007561079334
                   +0 :               0.00001220051085
                   +1 :               0.00000398153562
                3d
                   -2 :               0.00000422947773
                   -1 :               0.00000019760965
                   +0 :              -0.00000547537562
                   +1 :               0.00000353121576
                   +2 :              -0.00000859700212
             14 vec=     2.803193    -16.591354     -4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00002052694319
                2s
                   +0 :               0.00010530395899
                3s
                   +0 :              -0.00006877583033
                2p
                   -1 :              -0.00002402961158
                   +0 :              -0.00006541874638
                   +1 :              -0.00006721962276
                3p
                   -1 :               0.00003395865105
                   +0 :               0.00004036310301
                   +1 :               0.00003805954350
                3d
                   -2 :              -0.00000638997521
                   -1 :               0.00000077234544
                   +0 :               0.00000208752381
                   +1 :              -0.00000294474924
                   +2 :               0.00000531331168
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 28)  npairs=  14
              1 vec=     0.419091      0.000299      8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00000740568994
                2s
                   +0 :               0.00009795191505
                3s
                   +0 :               0.00026010477916
                2p
                   -1 :              -0.00247620867357
                   +0 :               0.00135987775125
                   +1 :               0.00006855190033
                3p
                   -1 :               0.00225984639616
                   +0 :              -0.00090365680749
                   +1 :              -0.00059856442071
                3d
                   -2 :              -0.00007210241960
                   -1 :               0.00018661225260
                   +0 :              -0.00012842446735
                   +1 :               0.00000495640415
                   +2 :               0.00001539287314
              2 vec=    -7.361071     -4.491580      8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00009155076648
                2s
                   +0 :               0.00044925048264
                3s
                   +0 :              -0.00027799999779
                2p
                   -1 :               0.00058095076989
                   +0 :               0.00012374071275
                   +1 :               0.00137714452307
                3p
                   -1 :              -0.00059825051854
                   +0 :              -0.00033358488698
                   +1 :              -0.00113002102522
                3d
                   -2 :               0.00006099507891
                   -1 :              -0.00006332195598
                   +0 :              -0.00005466986362
                   +1 :               0.00000001188348
                   +2 :               0.00003257606569
              3 vec=    -7.361071      4.492178      8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00007995649785
                2s
                   +0 :               0.00018761826662
                3s
                   +0 :              -0.00040480917802
                2p
                   -1 :               0.00008607337568
                   +0 :               0.00001602953951
                   +1 :              -0.00054026676302
                3p
                   -1 :              -0.00027227513941
                   +0 :              -0.00035159754455
                   +1 :               0.00042514458681
                3d
                   -2 :               0.00003118680897
                   -1 :              -0.00007482102665
                   +0 :               0.00000997182002
                   +1 :              -0.00000730118299
                   +2 :               0.00003242282866
              4 vec=     0.419091     -8.983459      8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00001232157399
                2s
                   +0 :               0.00026974201022
                3s
                   +0 :              -0.00014140548179
                2p
                   -1 :               0.00025104037320
                   +0 :               0.00020369704080
                   +1 :               0.00015622206090
                3p
                   -1 :              -0.00026882381626
                   +0 :              -0.00004674916067
                   +1 :              -0.00047826255495
                3d
                   -2 :               0.00007327010751
                   -1 :               0.00000899906608
                   +0 :               0.00002345284304
                   +1 :              -0.00001435204752
                   +2 :               0.00005644776946
              5 vec=     0.419091      8.984057      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00016931327395
                2s
                   +0 :              -0.00174490191685
                3s
                   +0 :               0.00047399843227
                2p
                   -1 :              -0.00092889350815
                   +0 :              -0.00146909434171
                   +1 :               0.00040169114110
                3p
                   -1 :               0.00054747670393
                   +0 :               0.00072011207745
                   +1 :              -0.00004260627252
                3d
                   -2 :               0.00000600229526
                   -1 :               0.00001605232879
                   +0 :               0.00000284715369
                   +1 :               0.00002434877247
                   +2 :              -0.00003342450226
              6 vec=     8.199254     -4.491580      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00007472576723
                2s
                   +0 :               0.00076880137149
                3s
                   +0 :              -0.00023550765038
                2p
                   -1 :              -0.00089855737630
                   +0 :               0.00118591262915
                   +1 :               0.00042972168739
                3p
                   -1 :               0.00070390443283
                   +0 :              -0.00074849459093
                   +1 :              -0.00017854683341
                3d
                   -2 :               0.00002412926440
                   -1 :               0.00006113395208
                   +0 :              -0.00001563970831
                   +1 :              -0.00000113960365
                   +2 :               0.00001579539743
              7 vec=     8.199254      4.492178      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00006795024161
                2s
                   +0 :               0.00068781173306
                3s
                   +0 :              -0.00013767107095
                2p
                   -1 :               0.00031814579887
                   +0 :               0.00027832136195
                   +1 :               0.00043798852814
                3p
                   -1 :              -0.00012536502796
                   +0 :               0.00011704951817
                   +1 :              -0.00030949869860
                3d
                   -2 :              -0.00001852438008
                   -1 :               0.00004464374431
                   +0 :               0.00002206403565
                   +1 :               0.00000335547319
                   +2 :              -0.00000891374762
              8 vec=     0.419091      0.000299    -16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00000120153688
                2s
                   +0 :              -0.00001404158933
                3s
                   +0 :               0.00001341585486
                2p
                   -1 :              -0.00000609563103
                   +0 :               0.00002979037738
                   +1 :               0.00002130898916
                3p
                   -1 :               0.00000315154624
                   +0 :              -0.00004371302930
                   +1 :              -0.00003028809173
                3d
                   -2 :               0.00000076777005
                   -1 :              -0.00000134718495
                   +0 :               0.00000080511837
                   +1 :               0.00000582981918
                   +2 :              -0.00000032967831
              9 vec=   -15.141234      0.000299      8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00001792516956
                2s
                   +0 :               0.00018776406921
                3s
                   +0 :              -0.00005475680776
                2p
                   -1 :               0.00027328373097
                   +0 :              -0.00007337923912
                   +1 :              -0.00000433298938
                3p
                   -1 :              -0.00014211423371
                   +0 :               0.00009769269786
                   +1 :               0.00000376741473
                3d
                   -2 :               0.00000767908735
                   -1 :              -0.00000420420550
                   +0 :               0.00000961279913
                   +1 :              -0.00000794501944
                   +2 :               0.00000142740024
             10 vec=    -7.361071    -13.475338      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00001587362221
                2s
                   +0 :               0.00009394671260
                3s
                   +0 :              -0.00004229964559
                2p
                   -1 :              -0.00008337526982
                   +0 :              -0.00001306787243
                   +1 :               0.00007857211919
                3p
                   -1 :               0.00008677369557
                   +0 :              -0.00001350943229
                   +1 :              -0.00002106384929
                3d
                   -2 :              -0.00000448072701
                   -1 :              -0.00000060395073
                   +0 :               0.00000183718465
                   +1 :               0.00000580175834
                   +2 :               0.00000245125779
             11 vec=    -7.361071     13.475936      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000209827253
                2s
                   +0 :               0.00003923377283
                3s
                   +0 :               0.00000734934114
                2p
                   -1 :              -0.00001923789122
                   +0 :               0.00001495147336
                   +1 :              -0.00005004720483
                3p
                   -1 :               0.00005581547474
                   +0 :               0.00003123290460
                   +1 :               0.00004944651612
                3d
                   -2 :              -0.00000138279632
                   -1 :               0.00000931491626
                   +0 :               0.00000224554630
                   +1 :              -0.00000088267650
                   +2 :              -0.00001048983577
             12 vec=     8.199254    -13.475338      8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00000015508293
                2s
                   +0 :              -0.00000407577861
                3s
                   +0 :              -0.00000427496909
                2p
                   -1 :              -0.00002507957245
                   +0 :               0.00004688982091
                   +1 :               0.00008023889558
                3p
                   -1 :               0.00000314612027
                   +0 :              -0.00003655067179
                   +1 :              -0.00001117852844
                3d
                   -2 :              -0.00000524344214
                   -1 :               0.00000159645141
                   +0 :              -0.00000942915684
                   +1 :               0.00000732225613
                   +2 :               0.00000118295041
             13 vec=     8.199254     13.475936      8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00002179103974
                2s
                   +0 :              -0.00022285401231
                3s
                   +0 :               0.00003728114505
                2p
                   -1 :              -0.00016121382389
                   +0 :              -0.00007884044739
                   +1 :               0.00003382305828
                3p
                   -1 :               0.00010112603276
                   +0 :               0.00000255276246
                   +1 :              -0.00006727386561
                3d
                   -2 :              -0.00000019967706
                   -1 :              -0.00000517866468
                   +0 :               0.00000040335540
                   +1 :              -0.00000454615554
                   +2 :               0.00000083578650
             14 vec=    15.979417      0.000299      8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00000598518736
                2s
                   +0 :               0.00005444010472
                3s
                   +0 :              -0.00003238679163
                2p
                   -1 :              -0.00004582900909
                   +0 :               0.00000089167408
                   +1 :              -0.00001740608461
                3p
                   -1 :              -0.00001733859071
                   +0 :               0.00001089723304
                   +1 :               0.00002863668990
                3d
                   -2 :              -0.00000912584379
                   -1 :              -0.00000603835576
                   +0 :               0.00000273928844
                   +1 :              -0.00000430163002
                   +2 :              -0.00000063907760
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 29)  npairs=  15
              1 vec=    -2.592869     -4.491580      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00015808235640
                2s
                   +0 :               0.00113919501707
                3s
                   +0 :              -0.00044578708446
                2p
                   -1 :               0.00037492957073
                   +0 :               0.00112023928495
                   +1 :              -0.00308395686478
                3p
                   -1 :              -0.00042957433173
                   +0 :              -0.00069590601837
                   +1 :               0.00219387293423
                3d
                   -2 :               0.00000863110405
                   -1 :               0.00003054372883
                   +0 :               0.00005972413147
                   +1 :               0.00014593745265
                   +2 :              -0.00002160639325
              2 vec=    -2.592869      4.492178      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00000118534684
                2s
                   +0 :              -0.00006942310765
                3s
                   +0 :              -0.00015182582466
                2p
                   -1 :              -0.00035368914073
                   +0 :              -0.00204457438171
                   +1 :               0.00046289734948
                3p
                   -1 :              -0.00077416476405
                   +0 :               0.00034515133880
                   +1 :              -0.00029951288571
                3d
                   -2 :              -0.00000469081410
                   -1 :              -0.00015332627185
                   +0 :               0.00000794570542
                   +1 :               0.00008909412515
                   +2 :               0.00001662716433
              3 vec=     5.187294      0.000299      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00018733544198
                2s
                   +0 :               0.00151898560846
                3s
                   +0 :              -0.00022896890740
                2p
                   -1 :               0.00015622464798
                   +0 :               0.00188172960239
                   +1 :              -0.00126743438923
                3p
                   -1 :              -0.00052571198005
                   +0 :              -0.00066275831888
                   +1 :               0.00144076481796
                3d
                   -2 :               0.00002078305170
                   -1 :              -0.00012943312771
                   +0 :              -0.00006240823257
                   +1 :               0.00013722614882
                   +2 :               0.00010084460153
              4 vec=   -10.373032      0.000299      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00005794909517
                2s
                   +0 :               0.00020689772152
                3s
                   +0 :              -0.00005239863423
                2p
                   -1 :               0.00086857912742
                   +0 :               0.00034380239560
                   +1 :               0.00031148171233
                3p
                   -1 :              -0.00047658780733
                   +0 :              -0.00025479350563
                   +1 :              -0.00008582155760
                3d
                   -2 :              -0.00001827938341
                   -1 :               0.00002369037178
                   +0 :              -0.00002772915966
                   +1 :               0.00002148024240
                   +2 :               0.00002259867584
              5 vec=     5.187294     -8.983459      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00004107362251
                2s
                   +0 :               0.00032048006240
                3s
                   +0 :              -0.00012580510949
                2p
                   -1 :              -0.00036368421559
                   +0 :               0.00005570616921
                   +1 :              -0.00004786835563
                3p
                   -1 :               0.00033007733780
                   +0 :               0.00011516258636
                   +1 :               0.00007565648127
                3d
                   -2 :               0.00003375030563
                   -1 :              -0.00000264420383
                   +0 :               0.00001724850977
                   +1 :               0.00000303543497
                   +2 :              -0.00000089312897
              6 vec=     5.187294      8.984057      8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00006767263121
                2s
                   +0 :              -0.00041583804502
                3s
                   +0 :               0.00016824279478
                2p
                   -1 :               0.00016781299320
                   +0 :               0.00001249416798
                   +1 :              -0.00002380579385
                3p
                   -1 :              -0.00012232236216
                   +0 :              -0.00022270020842
                   +1 :              -0.00014427436858
                3d
                   -2 :              -0.00000028030381
                   -1 :              -0.00001529260694
                   +0 :              -0.00002002442404
                   +1 :              -0.00001704831502
                   +2 :               0.00000057847170
              7 vec=   -10.373032     -8.983459      8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00002940903348
                2s
                   +0 :               0.00020457003339
                3s
                   +0 :              -0.00008630396748
                2p
                   -1 :              -0.00019497090800
                   +0 :              -0.00021139452841
                   +1 :               0.00007631934684
                3p
                   -1 :               0.00016546119056
                   +0 :               0.00013725760269
                   +1 :               0.00002061059317
                3d
                   -2 :              -0.00001807194866
                   -1 :               0.00001343889570
                   +0 :               0.00001868462136
                   +1 :              -0.00000630272008
                   +2 :               0.00000779809694
              8 vec=    -2.592869    -13.475338      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001706318517
                2s
                   +0 :               0.00007564144375
                3s
                   +0 :              -0.00005318177369
                2p
                   -1 :              -0.00010880349827
                   +0 :              -0.00016169372366
                   +1 :              -0.00014224414933
                3p
                   -1 :               0.00008771359981
                   +0 :               0.00008368254457
                   +1 :               0.00009334137782
                3d
                   -2 :              -0.00000675129919
                   -1 :              -0.00000143409178
                   +0 :              -0.00000196841301
                   +1 :              -0.00000865481189
                   +2 :              -0.00000025146238
              9 vec=   -10.373032      8.984057      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002081794798
                2s
                   +0 :              -0.00015226788351
                3s
                   +0 :               0.00000599091410
                2p
                   -1 :              -0.00011524872011
                   +0 :              -0.00003880536331
                   +1 :               0.00025124993614
                3p
                   -1 :               0.00002552785788
                   +0 :              -0.00000120291548
                   +1 :              -0.00020478465022
                3d
                   -2 :              -0.00000779105318
                   -1 :              -0.00000775525523
                   +0 :              -0.00001224309333
                   +1 :               0.00000076683591
                   +2 :               0.00000060572921
             10 vec=    -2.592869     13.475936      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00003739244730
                2s
                   +0 :              -0.00026124112853
                3s
                   +0 :               0.00008486005510
                2p
                   -1 :              -0.00005969883907
                   +0 :               0.00001442003185
                   +1 :               0.00012073112610
                3p
                   -1 :              -0.00003806795530
                   +0 :               0.00006817158391
                   +1 :              -0.00003193299423
                3d
                   -2 :               0.00001465654190
                   -1 :               0.00000296708735
                   +0 :               0.00002380922444
                   +1 :              -0.00001368271699
                   +2 :               0.00000090361438
             11 vec=    12.967456     -4.491580      8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00004799641872
                2s
                   +0 :              -0.00035501839240
                3s
                   +0 :               0.00005317161216
                2p
                   -1 :              -0.00014035016499
                   +0 :              -0.00013303444028
                   +1 :              -0.00022149223225
                3p
                   -1 :               0.00021708715295
                   +0 :              -0.00004575535412
                   +1 :               0.00016163699835
                3d
                   -2 :               0.00002607823088
                   -1 :               0.00002640302772
                   +0 :              -0.00002012954036
                   +1 :              -0.00001857192438
                   +2 :               0.00000774079708
             12 vec=    12.967456      4.492178      8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00002072619948
                2s
                   +0 :              -0.00007194353042
                3s
                   +0 :               0.00010959212447
                2p
                   -1 :              -0.00004633695845
                   +0 :               0.00000774836703
                   +1 :              -0.00001392134635
                3p
                   -1 :               0.00003309224300
                   +0 :               0.00011412912657
                   +1 :               0.00004923988415
                3d
                   -2 :              -0.00001058459152
                   -1 :              -0.00000389436537
                   +0 :               0.00000904985846
                   +1 :               0.00001638559415
                   +2 :               0.00000694070435
             13 vec=    -2.592869     -4.491580    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000360984011
                2s
                   +0 :              -0.00007095096024
                3s
                   +0 :              -0.00000308464886
                2p
                   -1 :              -0.00002379505263
                   +0 :               0.00003860676652
                   +1 :              -0.00008143385769
                3p
                   -1 :               0.00004115488589
                   +0 :               0.00002182055263
                   +1 :               0.00002895280744
                3d
                   -2 :               0.00000309994322
                   -1 :              -0.00000665867571
                   +0 :              -0.00000938665001
                   +1 :               0.00000181930758
                   +2 :              -0.00000092266367
             14 vec=    -2.592869      4.492178    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001630037812
                2s
                   +0 :               0.00011265955238
                3s
                   +0 :              -0.00003901543031
                2p
                   -1 :               0.00001743964661
                   +0 :              -0.00006865878553
                   +1 :               0.00000982092526
                3p
                   -1 :               0.00001074622884
                   +0 :               0.00002235261344
                   +1 :              -0.00003148809896
                3d
                   -2 :              -0.00000279565827
                   -1 :              -0.00000176238653
                   +0 :               0.00000271508023
                   +1 :               0.00000214358404
                   +2 :               0.00000090045190
             15 vec=     5.187294      0.000299    -16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00000184441942
                2s
                   +0 :               0.00003080429222
                3s
                   +0 :              -0.00000345283546
                2p
                   -1 :              -0.00001348198674
                   +0 :              -0.00004586754534
                   +1 :               0.00003443749026
                3p
                   -1 :               0.00000004455666
                   +0 :               0.00000255789090
                   +1 :              -0.00004025099289
                3d
                   -2 :               0.00000336366004
                   -1 :               0.00000000251541
                   +0 :              -0.00000069707329
                   +1 :               0.00000004759748
                   +2 :               0.00000128303414
WF             site_B          number of pairs
WF( 38)=[O_11_2px]  to site O ( 30)  npairs=  15
              1 vec=    -4.976970      0.362794      8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00010384273819
                2s
                   +0 :              -0.00051512914485
                3s
                   +0 :               0.00011532500703
                2p
                   -1 :              -0.00161168190720
                   +0 :              -0.00097910338712
                   +1 :              -0.00091501061264
                3p
                   -1 :               0.00164407223688
                   +0 :               0.00024783190685
                   +1 :               0.00095961609042
                3d
                   -2 :               0.00001995125062
                   -1 :               0.00013423598251
                   +0 :              -0.00001591228165
                   +1 :               0.00003768291897
                   +2 :              -0.00001246109662
              2 vec=     2.803193     -4.129085      8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00030788229891
                2s
                   +0 :              -0.00194440439438
                3s
                   +0 :               0.00088368034272
                2p
                   -1 :               0.00091133843929
                   +0 :              -0.00148397531123
                   +1 :               0.00032327131805
                3p
                   -1 :              -0.00053422341476
                   +0 :               0.00076583844227
                   +1 :              -0.00053737909069
                3d
                   -2 :               0.00008634825875
                   -1 :              -0.00001210394548
                   +0 :              -0.00007267326059
                   +1 :              -0.00003059213671
                   +2 :              -0.00017800403552
              3 vec=     2.803193      4.854673      8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00004826728365
                2s
                   +0 :              -0.00003944838937
                3s
                   +0 :              -0.00016362625139
                2p
                   -1 :               0.00274263067123
                   +0 :               0.00083279351138
                   +1 :              -0.00000826151402
                3p
                   -1 :              -0.00106730919629
                   +0 :              -0.00024139253070
                   +1 :              -0.00034871829635
                3d
                   -2 :              -0.00003110542258
                   -1 :               0.00002480539812
                   +0 :               0.00002743881522
                   +1 :              -0.00011478265602
                   +2 :              -0.00000651688746
              4 vec=    -4.976970     -8.620964      8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00009858722950
                2s
                   +0 :              -0.00072362119907
                3s
                   +0 :               0.00035632014947
                2p
                   -1 :              -0.00007146937633
                   +0 :              -0.00036103462693
                   +1 :               0.00037018248940
                3p
                   -1 :               0.00003435771192
                   +0 :               0.00009146819455
                   +1 :              -0.00027581253835
                3d
                   -2 :               0.00004820849830
                   -1 :              -0.00000768628453
                   +0 :              -0.00003010558231
                   +1 :              -0.00003970081898
                   +2 :              -0.00001180176706
              5 vec=    -4.976970      9.346552      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00004827775147
                2s
                   +0 :               0.00014974085456
                3s
                   +0 :              -0.00009658398020
                2p
                   -1 :               0.00025156995806
                   +0 :               0.00019544543289
                   +1 :               0.00008341025613
                3p
                   -1 :              -0.00022599384353
                   +0 :              -0.00008349590020
                   +1 :              -0.00014643186388
                3d
                   -2 :              -0.00001989759687
                   -1 :              -0.00000866561513
                   +0 :              -0.00002226325357
                   +1 :              -0.00005076560413
                   +2 :               0.00001944957864
              6 vec=    10.583355      0.362794      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00001373456991
                2s
                   +0 :               0.00043240140856
                3s
                   +0 :              -0.00011299184237
                2p
                   -1 :              -0.00006065939562
                   +0 :               0.00043279489939
                   +1 :               0.00023794294703
                3p
                   -1 :              -0.00011614852235
                   +0 :              -0.00024307957175
                   +1 :               0.00001313986380
                3d
                   -2 :              -0.00004009588615
                   -1 :              -0.00001577056957
                   +0 :               0.00000126489721
                   +1 :              -0.00001574418511
                   +2 :               0.00000518329441
              7 vec=   -12.757133     -4.129085      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00012416780351
                2s
                   +0 :               0.00107973673751
                3s
                   +0 :              -0.00023142710229
                2p
                   -1 :              -0.00052997259755
                   +0 :               0.00061741513952
                   +1 :              -0.00022333717989
                3p
                   -1 :               0.00032769096030
                   +0 :              -0.00018443795216
                   +1 :               0.00005728664697
                3d
                   -2 :               0.00002051974688
                   -1 :              -0.00001836924546
                   +0 :               0.00002364033373
                   +1 :              -0.00002853448708
                   +2 :               0.00000847630941
              8 vec=     2.803193    -13.112843      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00002553318321
                2s
                   +0 :              -0.00013022379554
                3s
                   +0 :               0.00012826438055
                2p
                   -1 :               0.00002014222411
                   +0 :               0.00000731506200
                   +1 :              -0.00001281340948
                3p
                   -1 :              -0.00003409243982
                   +0 :               0.00008080778716
                   +1 :              -0.00004459004530
                3d
                   -2 :               0.00001057092459
                   -1 :              -0.00000740273297
                   +0 :               0.00000900518319
                   +1 :              -0.00001631851331
                   +2 :               0.00000066458957
              9 vec=   -12.757133      4.854673      8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00001662973371
                2s
                   +0 :              -0.00012775457795
                3s
                   +0 :               0.00001051901198
                2p
                   -1 :              -0.00016126610590
                   +0 :              -0.00003266154590
                   +1 :               0.00008409810815
                3p
                   -1 :               0.00015688991528
                   +0 :              -0.00010267047678
                   +1 :              -0.00003389977530
                3d
                   -2 :              -0.00001702333178
                   -1 :               0.00000719920662
                   +0 :              -0.00000477785437
                   +1 :               0.00001970138539
                   +2 :              -0.00000114474087
             10 vec=    10.583355     -8.620964      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00004986068675
                2s
                   +0 :              -0.00025138669435
                3s
                   +0 :               0.00015601107732
                2p
                   -1 :               0.00007785125178
                   +0 :               0.00010286990735
                   +1 :               0.00008875612779
                3p
                   -1 :              -0.00011283332864
                   +0 :              -0.00008001020794
                   +1 :              -0.00000054921703
                3d
                   -2 :              -0.00000027085779
                   -1 :               0.00000317036684
                   +0 :               0.00000255766832
                   +1 :              -0.00000544144388
                   +2 :              -0.00000329377063
             11 vec=     2.803193     13.838431      8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00001330784057
                2s
                   +0 :              -0.00017604893919
                3s
                   +0 :               0.00001087803942
                2p
                   -1 :              -0.00003259133527
                   +0 :              -0.00012257866275
                   +1 :              -0.00008855192459
                3p
                   -1 :               0.00000802168239
                   +0 :               0.00008183785157
                   +1 :               0.00003338946752
                3d
                   -2 :              -0.00000833556059
                   -1 :              -0.00000001587761
                   +0 :              -0.00000473381299
                   +1 :               0.00000978417032
                   +2 :              -0.00000879250495
             12 vec=    10.583355      9.346552      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00001290661817
                2s
                   +0 :               0.00009314948578
                3s
                   +0 :              -0.00004362826943
                2p
                   -1 :               0.00016408942625
                   +0 :               0.00013588146501
                   +1 :              -0.00000384044084
                3p
                   -1 :              -0.00004841161068
                   +0 :              -0.00008077437531
                   +1 :              -0.00002249876040
                3d
                   -2 :               0.00000230529034
                   -1 :              -0.00000055855751
                   +0 :              -0.00000824796375
                   +1 :              -0.00000788526186
                   +2 :              -0.00000471121703
             13 vec=    -4.976970      0.362794    -16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00001341492582
                2s
                   +0 :               0.00010021575720
                3s
                   +0 :              -0.00004014567339
                2p
                   -1 :              -0.00007985915282
                   +0 :              -0.00011767354724
                   +1 :              -0.00007577273142
                3p
                   -1 :               0.00005064370873
                   +0 :               0.00006222590123
                   +1 :               0.00004506797775
                3d
                   -2 :               0.00000278287452
                   -1 :              -0.00000629615824
                   +0 :               0.00000603410628
                   +1 :              -0.00000025812574
                   +2 :               0.00000179868676
             14 vec=     2.803193     -4.129085    -16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000265525765
                2s
                   +0 :               0.00004439196230
                3s
                   +0 :              -0.00000482194837
                2p
                   -1 :              -0.00001524256352
                   +0 :              -0.00001385851246
                   +1 :               0.00000955561827
                3p
                   -1 :              -0.00001093058109
                   +0 :              -0.00003626031265
                   +1 :              -0.00003451893856
                3d
                   -2 :               0.00000028842636
                   -1 :               0.00000347269833
                   +0 :               0.00000675813328
                   +1 :               0.00000254169198
                   +2 :               0.00000366899278
             15 vec=     2.803193      4.854673    -16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000198021377
                2s
                   +0 :               0.00000018441843
                3s
                   +0 :               0.00000202343275
                2p
                   -1 :               0.00006235214933
                   +0 :              -0.00004747958686
                   +1 :              -0.00016314057716
                3p
                   -1 :              -0.00003247037042
                   +0 :               0.00007534537467
                   +1 :               0.00008435601818
                3d
                   -2 :               0.00000079087201
                   -1 :              -0.00000014003566
                   +0 :              -0.00000310629167
                   +1 :              -0.00000072302948
                   +2 :               0.00000168227308
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al(  1)  npairs=  13
              1 vec=     2.593388     -1.739555      6.601980   |vec|=    7.303276
                2s
                   +0 :               0.00274059946431
                2p
                   -1 :              -0.00045649156223
                   +0 :               0.00116027550611
                   +1 :               0.00100679971141
                3s
                   +0 :              -0.01068135300360
                4s
                   +0 :               0.00463257410532
                3p
                   -1 :               0.00004870958411
                   +0 :              -0.00524642809951
                   +1 :              -0.00795803534734
                4p
                   -1 :              -0.00008636628767
                   +0 :               0.00203463799568
                   +1 :               0.00119296076197
                3d
                   -2 :              -0.00093281223057
                   -1 :              -0.00141093286181
                   +0 :              -0.00027658761247
                   +1 :              -0.00046351869637
                   +2 :               0.00087050806646
              2 vec=    -5.186775      2.752324      6.601980   |vec|=    8.835387
                2s
                   +0 :              -0.00059789196901
                2p
                   -1 :              -0.00029625873829
                   +0 :              -0.00029109445141
                   +1 :              -0.00069547837238
                3s
                   +0 :               0.00525199841941
                4s
                   +0 :               0.00069223140543
                3p
                   -1 :               0.00300607926466
                   +0 :               0.00393342554781
                   +1 :               0.00256541849004
                4p
                   -1 :              -0.00038120779474
                   +0 :               0.00005936405848
                   +1 :              -0.00195658355960
                3d
                   -2 :              -0.00139656611495
                   -1 :               0.00089579084848
                   +0 :               0.00050879217424
                   +1 :              -0.00015602140667
                   +2 :              -0.00097070098924
              3 vec=     2.593388      7.244203      6.601980   |vec|=   10.138554
                2s
                   +0 :              -0.00070298181807
                2p
                   -1 :              -0.00090046841135
                   +0 :              -0.00005912626061
                   +1 :              -0.00019504250347
                3s
                   +0 :               0.00449688057953
                4s
                   +0 :              -0.00230292768665
                3p
                   -1 :               0.00601463466621
                   +0 :               0.00185028777760
                   +1 :               0.00131284589808
                4p
                   -1 :              -0.00204050096812
                   +0 :              -0.00071252359156
                   +1 :              -0.00046709177495
                3d
                   -2 :               0.00077536358662
                   -1 :               0.00060938263319
                   +0 :              -0.00068752355697
                   +1 :              -0.00021513978019
                   +2 :              -0.00062902916404
              4 vec=    -5.186775     -6.231434      6.601980   |vec|=   10.455599
                2s
                   +0 :               0.00140437992407
                2p
                   -1 :              -0.00043847558126
                   +0 :               0.00031299463788
                   +1 :              -0.00007520442014
                3s
                   +0 :              -0.00554936958223
                4s
                   +0 :               0.00148824562207
                3p
                   -1 :               0.00218524667825
                   +0 :              -0.00126426905928
                   +1 :               0.00074304346818
                4p
                   -1 :              -0.00045560445103
                   +0 :               0.00029387455630
                   +1 :              -0.00003430374976
                3d
                   -2 :              -0.00009822679388
                   -1 :               0.00021334099105
                   +0 :              -0.00036421915218
                   +1 :               0.00005980024360
                   +2 :               0.00019370149470
              5 vec=    10.373550      2.752324      6.601980   |vec|=   12.600475
                2s
                   +0 :               0.00034990515485
                2p
                   -1 :               0.00018474303071
                   +0 :               0.00026633960249
                   +1 :              -0.00000119807035
                3s
                   +0 :              -0.00150764135856
                4s
                   +0 :               0.00055255277404
                3p
                   -1 :              -0.00101089796036
                   +0 :              -0.00143898552314
                   +1 :              -0.00006837956253
                4p
                   -1 :               0.00026847895393
                   +0 :               0.00033688681893
                   +1 :              -0.00000570830012
                3d
                   -2 :              -0.00011164045128
                   -1 :              -0.00009826174071
                   +0 :              -0.00004602563832
                   +1 :              -0.00009067480250
                   +2 :              -0.00005677106953
              6 vec=     2.593388    -10.723313      6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00015671905141
                2p
                   -1 :               0.00013085793068
                   +0 :               0.00004164899382
                   +1 :               0.00003094340101
                3s
                   +0 :              -0.00145739850631
                4s
                   +0 :               0.00016444402751
                3p
                   -1 :              -0.00032756746742
                   +0 :              -0.00089936709891
                   +1 :              -0.00031182176651
                4p
                   -1 :               0.00021096401589
                   +0 :               0.00013987862249
                   +1 :               0.00017970901875
                3d
                   -2 :               0.00007616978885
                   -1 :               0.00009430820110
                   +0 :              -0.00006731485957
                   +1 :              -0.00000445318442
                   +2 :               0.00009868439722
              7 vec=    10.373550     -6.231434      6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00014409246463
                2p
                   -1 :              -0.00003317380678
                   +0 :               0.00007649243629
                   +1 :              -0.00011596488065
                3s
                   +0 :               0.00091449243817
                4s
                   +0 :              -0.00018048959928
                3p
                   -1 :               0.00007625279553
                   +0 :              -0.00114141529049
                   +1 :               0.00051362529283
                4p
                   -1 :              -0.00004891184943
                   +0 :               0.00019557258547
                   +1 :              -0.00004452228573
                3d
                   -2 :              -0.00018959419975
                   -1 :              -0.00011378030050
                   +0 :               0.00024882825305
                   +1 :               0.00010917343242
                   +2 :               0.00008367419468
              8 vec=    -5.186775     11.736082      6.601980   |vec|=   14.429982
                2s
                   +0 :              -0.00023845093947
                2p
                   -1 :              -0.00004145348193
                   +0 :              -0.00015190233345
                   +1 :               0.00010568090220
                3s
                   +0 :               0.00124607430871
                4s
                   +0 :              -0.00043211236478
                3p
                   -1 :               0.00044480658660
                   +0 :               0.00092848797113
                   +1 :              -0.00076075291635
                4p
                   -1 :              -0.00011868977755
                   +0 :              -0.00018138502663
                   +1 :               0.00020296473401
                3d
                   -2 :              -0.00004732521987
                   -1 :               0.00004016768753
                   +0 :               0.00001360065004
                   +1 :              -0.00015647444922
                   +2 :               0.00000053172102
              9 vec=   -12.966938     -1.739555      6.601980   |vec|=   14.654476
                2s
                   +0 :               0.00008826233254
                2p
                   -1 :               0.00000401126861
                   +0 :               0.00005560769346
                   +1 :               0.00000952638821
                3s
                   +0 :              -0.00046412017622
                4s
                   +0 :               0.00011967145949
                3p
                   -1 :              -0.00005490806305
                   +0 :              -0.00037558176147
                   +1 :               0.00000114882045
                4p
                   -1 :              -0.00001515625015
                   +0 :               0.00008379655535
                   +1 :               0.00001211704266
                3d
                   -2 :              -0.00002255029120
                   -1 :              -0.00004275979461
                   +0 :              -0.00010070032467
                   +1 :               0.00000831567332
                   +2 :              -0.00002926398756
             10 vec=   -12.966938      7.244203      6.601980   |vec|=   16.254417
                2s
                   +0 :              -0.00026622771848
                2p
                   -1 :              -0.00005248771953
                   +0 :              -0.00011921061165
                   +1 :               0.00007910306058
                3s
                   +0 :               0.00109627106732
                4s
                   +0 :              -0.00031668932329
                3p
                   -1 :               0.00025406612331
                   +0 :               0.00068071912405
                   +1 :              -0.00042810409113
                4p
                   -1 :              -0.00002627626648
                   +0 :              -0.00015277075874
                   +1 :               0.00008518641582
                3d
                   -2 :              -0.00008042539469
                   -1 :               0.00008393443919
                   +0 :               0.00006482082256
                   +1 :              -0.00012654342102
                   +2 :              -0.00003932342880
             11 vec=    10.373550     11.736082      6.601980   |vec|=   16.998009
                2s
                   +0 :              -0.00007458624856
                2p
                   -1 :               0.00000610714768
                   +0 :              -0.00001650993422
                   +1 :               0.00000322317841
                3s
                   +0 :               0.00020967946213
                4s
                   +0 :              -0.00007162277888
                3p
                   -1 :              -0.00001284108081
                   +0 :               0.00009465717239
                   +1 :              -0.00008244361076
                4p
                   -1 :               0.00000801843246
                   +0 :              -0.00004154007358
                   +1 :               0.00003622770206
                3d
                   -2 :               0.00004148315319
                   -1 :               0.00001180694068
                   +0 :               0.00002628585065
                   +1 :               0.00000003335195
                   +2 :              -0.00002517392411
             12 vec=    -5.186775    -15.215192      6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00002236947401
                2p
                   -1 :               0.00002437782441
                   +0 :              -0.00001803997419
                   +1 :               0.00002371278069
                3s
                   +0 :              -0.00046250510771
                4s
                   +0 :               0.00006263016822
                3p
                   -1 :               0.00003355773916
                   +0 :              -0.00007277734385
                   +1 :              -0.00013921664049
                4p
                   -1 :               0.00001248085807
                   +0 :              -0.00001668438288
                   +1 :               0.00002759169044
                3d
                   -2 :               0.00006507526211
                   -1 :               0.00002243614196
                   +0 :              -0.00000853200265
                   +1 :              -0.00002715677370
                   +2 :               0.00003001188748
             13 vec=     2.593388     16.227961      6.601980   |vec|=   17.710407
                2s
                   +0 :               0.00001099558795
                2p
                   -1 :              -0.00000346356908
                   +0 :               0.00000945108889
                   +1 :               0.00000392452651
                3s
                   +0 :              -0.00006295859255
                4s
                   +0 :              -0.00004291480385
                3p
                   -1 :               0.00006246099121
                   +0 :               0.00014050195677
                   +1 :              -0.00007820986943
                4p
                   -1 :              -0.00005802235130
                   +0 :              -0.00004106039123
                   +1 :               0.00004832569990
                3d
                   -2 :               0.00000093521921
                   -1 :              -0.00006357282404
                   +0 :              -0.00003690701438
                   +1 :               0.00000160556736
                   +2 :              -0.00000053728779
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al(  2)  npairs=  15
              1 vec=     2.593388     -1.739555    -10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00015454311328
                2p
                   -1 :               0.00006822255570
                   +0 :               0.00009798021198
                   +1 :              -0.00021697746525
                3s
                   +0 :               0.00038248861146
                4s
                   +0 :              -0.00014804154687
                3p
                   -1 :              -0.00111389385082
                   +0 :              -0.00072049110841
                   +1 :               0.00130743366419
                4p
                   -1 :               0.00013846283256
                   +0 :               0.00028730227858
                   +1 :              -0.00028016695757
                3d
                   -2 :               0.00015084395021
                   -1 :               0.00019938334078
                   +0 :               0.00005552405217
                   +1 :              -0.00033467838797
                   +2 :               0.00009512161205
              2 vec=    -5.186775      2.752324    -10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00026197787763
                2p
                   -1 :              -0.00006939433741
                   +0 :              -0.00013492473402
                   +1 :              -0.00022630445379
                3s
                   +0 :              -0.00002776963126
                4s
                   +0 :              -0.00006804495863
                3p
                   -1 :               0.00071301427155
                   +0 :               0.00051484939407
                   +1 :               0.00110270747396
                4p
                   -1 :              -0.00000059553658
                   +0 :              -0.00000158367652
                   +1 :              -0.00009666369936
                3d
                   -2 :               0.00010291154008
                   -1 :              -0.00019645600678
                   +0 :              -0.00015923300995
                   +1 :              -0.00036425462065
                   +2 :              -0.00032912210638
              3 vec=     2.593388      7.244203    -10.693237   |vec|=   13.173817
                2s
                   +0 :              -0.00039532540864
                2p
                   -1 :              -0.00010926350329
                   +0 :               0.00014320634657
                   +1 :              -0.00019425419036
                3s
                   +0 :               0.00164431082960
                4s
                   +0 :              -0.00031282193677
                3p
                   -1 :               0.00050031388612
                   +0 :              -0.00083154115224
                   +1 :               0.00115213426048
                4p
                   -1 :               0.00001557068046
                   +0 :               0.00011019096240
                   +1 :              -0.00034037580898
                3d
                   -2 :               0.00019428272779
                   -1 :              -0.00014474127175
                   +0 :               0.00009915653769
                   +1 :              -0.00021785275143
                   +2 :               0.00002598580156
              4 vec=    -5.186775     -6.231434    -10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00002752877060
                2p
                   -1 :              -0.00004086615379
                   +0 :               0.00009238168669
                   +1 :              -0.00001806680905
                3s
                   +0 :              -0.00164192919993
                4s
                   +0 :               0.00029621292182
                3p
                   -1 :               0.00093312333365
                   +0 :               0.00085831545565
                   +1 :               0.00098298783914
                4p
                   -1 :              -0.00024110792912
                   +0 :              -0.00009744703528
                   +1 :              -0.00003996894318
                3d
                   -2 :              -0.00033237767192
                   -1 :              -0.00014579516517
                   +0 :              -0.00009578420582
                   +1 :              -0.00033744734327
                   +2 :              -0.00006365698404
              5 vec=     2.593388     -1.739555     13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00010516214476
                2p
                   -1 :               0.00003189744226
                   +0 :              -0.00006076831101
                   +1 :              -0.00003667275481
                3s
                   +0 :               0.00028747943596
                4s
                   +0 :              -0.00005617127931
                3p
                   -1 :               0.00004520125126
                   +0 :               0.00029849608619
                   +1 :              -0.00000776251578
                4p
                   -1 :              -0.00005185705933
                   +0 :              -0.00006208642676
                   +1 :              -0.00001277167367
                3d
                   -2 :              -0.00004643127644
                   -1 :               0.00006451163970
                   +0 :               0.00002241744315
                   +1 :              -0.00006041160572
                   +2 :               0.00007343127746
              6 vec=    -5.186775      2.752324     13.854306   |vec|=   15.047249
                2s
                   +0 :               0.00004694650047
                2p
                   -1 :               0.00002845827982
                   +0 :              -0.00004610102972
                   +1 :              -0.00007557533190
                3s
                   +0 :              -0.00022600560483
                4s
                   +0 :              -0.00001135458988
                3p
                   -1 :              -0.00015702166107
                   +0 :               0.00026377260051
                   +1 :               0.00047969428922
                4p
                   -1 :               0.00000552047815
                   +0 :              -0.00007866748740
                   +1 :              -0.00005272293397
                3d
                   -2 :               0.00006521392004
                   -1 :               0.00002461953677
                   +0 :               0.00006775668163
                   +1 :              -0.00004195099722
                   +2 :              -0.00002921332302
              7 vec=    10.373550      2.752324    -10.693237   |vec|=   15.150285
                2s
                   +0 :              -0.00008667132381
                2p
                   -1 :              -0.00006757690824
                   +0 :               0.00004275298225
                   +1 :              -0.00002915128160
                3s
                   +0 :               0.00054133464485
                4s
                   +0 :              -0.00019333193095
                3p
                   -1 :               0.00036402640618
                   +0 :              -0.00038657886924
                   +1 :               0.00031028893396
                4p
                   -1 :              -0.00011107232241
                   +0 :               0.00008313242575
                   +1 :              -0.00008678558773
                3d
                   -2 :               0.00003927830470
                   -1 :              -0.00005417149478
                   +0 :               0.00007800148645
                   +1 :              -0.00008140013131
                   +2 :               0.00006951239427
              8 vec=     2.593388    -10.723313    -10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00006335754369
                2p
                   -1 :              -0.00000232417783
                   +0 :               0.00003458138424
                   +1 :               0.00000223394886
                3s
                   +0 :              -0.00069074334316
                4s
                   +0 :               0.00009049045409
                3p
                   -1 :               0.00009473663134
                   +0 :              -0.00014098267485
                   +1 :              -0.00008208429304
                4p
                   -1 :              -0.00001002569964
                   +0 :               0.00006225660886
                   +1 :               0.00003110021364
                3d
                   -2 :               0.00001487277777
                   -1 :               0.00003367331485
                   +0 :               0.00004102330143
                   +1 :               0.00000443278447
                   +2 :              -0.00008757166262
              9 vec=     2.593388      7.244203     13.854306   |vec|=   15.847584
                2s
                   +0 :               0.00014511858153
                2p
                   -1 :               0.00001932492829
                   +0 :               0.00006061468688
                   +1 :               0.00002445833340
                3s
                   +0 :              -0.00068245835116
                4s
                   +0 :               0.00015705974957
                3p
                   -1 :              -0.00006504933248
                   +0 :              -0.00052332007228
                   +1 :              -0.00011252507452
                4p
                   -1 :              -0.00001679574859
                   +0 :               0.00012803914840
                   +1 :               0.00005097933762
                3d
                   -2 :               0.00004503969122
                   -1 :               0.00000377370291
                   +0 :              -0.00009468454462
                   +1 :               0.00002421444141
                   +2 :               0.00006849978063
             10 vec=    -5.186775     -6.231434     13.854306   |vec|=   16.052264
                2s
                   +0 :               0.00004116633700
                2p
                   -1 :               0.00000101296109
                   +0 :               0.00001703347550
                   +1 :              -0.00002315377220
                3s
                   +0 :              -0.00011675889196
                4s
                   +0 :               0.00010160525941
                3p
                   -1 :              -0.00017542224516
                   +0 :              -0.00021556077618
                   +1 :               0.00014443748149
                4p
                   -1 :               0.00003861952244
                   +0 :               0.00006738371530
                   +1 :              -0.00002473112072
                3d
                   -2 :              -0.00005014639200
                   -1 :              -0.00000495412143
                   +0 :              -0.00011387607876
                   +1 :               0.00002767910614
                   +2 :              -0.00001448290704
             11 vec=    10.373550     -6.231434    -10.693237   |vec|=   16.148889
                2s
                   +0 :              -0.00006347877236
                2p
                   -1 :               0.00004159084285
                   +0 :               0.00002195862518
                   +1 :              -0.00002355017088
                3s
                   +0 :               0.00001717177040
                4s
                   +0 :              -0.00003498953261
                3p
                   -1 :              -0.00017703871263
                   +0 :              -0.00009500396011
                   +1 :               0.00007433145725
                4p
                   -1 :               0.00004532283104
                   +0 :               0.00002062435118
                   +1 :              -0.00000956317901
                3d
                   -2 :              -0.00001176610219
                   -1 :               0.00000893659109
                   +0 :              -0.00002611042682
                   +1 :              -0.00000910237400
                   +2 :              -0.00001096236835
             12 vec=    -5.186775     11.736082    -10.693237   |vec|=   16.702801
                2s
                   +0 :               0.00001966645602
                2p
                   -1 :               0.00004041355755
                   +0 :              -0.00006619231428
                   +1 :              -0.00002016206770
                3s
                   +0 :               0.00020331416957
                4s
                   +0 :               0.00009266677405
                3p
                   -1 :              -0.00011400379076
                   +0 :               0.00024121733077
                   +1 :               0.00013924122868
                4p
                   -1 :               0.00006802968875
                   +0 :              -0.00012085162571
                   +1 :              -0.00003829413203
                3d
                   -2 :               0.00006658083344
                   -1 :               0.00002756202825
                   +0 :              -0.00007527021653
                   +1 :              -0.00003176261499
                   +2 :              -0.00008158956064
             13 vec=   -12.966938     -1.739555    -10.693237   |vec|=   16.897125
                2s
                   +0 :              -0.00003605415589
                2p
                   -1 :              -0.00001492665246
                   +0 :               0.00001221059208
                   +1 :               0.00004321921424
                3s
                   +0 :               0.00020370940284
                4s
                   +0 :              -0.00005254870640
                3p
                   -1 :               0.00010015828793
                   +0 :              -0.00008680555555
                   +1 :              -0.00025445807395
                4p
                   -1 :              -0.00005901554240
                   +0 :               0.00001275777714
                   +1 :               0.00009616503705
                3d
                   -2 :              -0.00003132320660
                   -1 :               0.00002513944741
                   +0 :               0.00000097787273
                   +1 :               0.00004392784689
                   +2 :               0.00006164291822
             14 vec=    10.373550      2.752324     13.854306   |vec|=   17.525057
                2s
                   +0 :               0.00004694558792
                2p
                   -1 :               0.00001830904390
                   +0 :              -0.00000193288079
                   +1 :               0.00000900951013
                3s
                   +0 :              -0.00021949996797
                4s
                   +0 :               0.00001673260620
                3p
                   -1 :              -0.00007234265560
                   +0 :               0.00004435052374
                   +1 :              -0.00012313846522
                4p
                   -1 :               0.00007135770136
                   +0 :              -0.00003039834334
                   +1 :               0.00000409060645
                3d
                   -2 :              -0.00003234051162
                   -1 :               0.00001888430573
                   +0 :               0.00001670980267
                   +1 :              -0.00001665337925
                   +2 :              -0.00002891890926
             15 vec=     2.593388    -10.723313     13.854306   |vec|=   17.710361
                2s
                   +0 :              -0.00003343206450
                2p
                   -1 :               0.00000624447791
                   +0 :              -0.00000470810603
                   +1 :              -0.00000507498822
                3s
                   +0 :               0.00032322540251
                4s
                   +0 :              -0.00000934417308
                3p
                   -1 :              -0.00016184742155
                   +0 :               0.00004661462896
                   +1 :              -0.00005233022413
                4p
                   -1 :              -0.00000113519423
                   +0 :              -0.00002107978806
                   +1 :              -0.00003206638125
                3d
                   -2 :               0.00005542655834
                   -1 :               0.00000213293351
                   +0 :              -0.00000887999400
                   +1 :              -0.00002537286847
                   +2 :              -0.00006989872405
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Cr(  3)  npairs=  14
              1 vec=     2.593388     -1.739555      1.580534   |vec|=    3.499971
                3s
                   +0 :               0.04932817321305
                3p
                   -1 :              -0.01612111436337
                   +0 :               0.03804909078357
                   +1 :               0.05756553447031
                4s
                   +0 :               0.02159902623641
                5s
                   +0 :               0.00392502475550
                3d
                   -2 :              -0.00186285638174
                   -1 :              -0.00638106811924
                   +0 :               0.00457188103599
                   +1 :               0.03743776929813
                   +2 :               0.03786382262955
                4d
                   -2 :              -0.00138998918762
                   -1 :               0.00050651570074
                   +0 :               0.00076001881242
                   +1 :               0.00637700826805
                   +2 :               0.00517569379310
                4p
                   -1 :               0.00166665518454
                   +0 :               0.01008473025314
                   +1 :               0.02511948178684
              2 vec=    -5.186775      2.752324      1.580534   |vec|=    6.080790
                3s
                   +0 :               0.00477740540408
                3p
                   -1 :               0.00139280772137
                   +0 :               0.00054813434171
                   +1 :              -0.00397707195223
                4s
                   +0 :              -0.00856990767439
                5s
                   +0 :               0.00167657090749
                3d
                   -2 :               0.00167276711487
                   -1 :               0.00293418182179
                   +0 :               0.00056346607105
                   +1 :               0.00155607579968
                   +2 :               0.00366022032598
                4d
                   -2 :               0.00244069371385
                   -1 :              -0.00132466627569
                   +0 :               0.00150281995561
                   +1 :               0.00046692191055
                   +2 :              -0.00047048134231
                4p
                   -1 :              -0.00392932904924
                   +0 :              -0.00059442492952
                   +1 :               0.00352120675791
              3 vec=     2.593388      7.244203      1.580534   |vec|=    7.855076
                3s
                   +0 :              -0.00141924278939
                3p
                   -1 :               0.00036816395201
                   +0 :              -0.00095212278407
                   +1 :               0.00126141602196
                4s
                   +0 :              -0.00320195007758
                5s
                   +0 :              -0.00001017683414
                3d
                   -2 :               0.00643209334611
                   -1 :              -0.00431057137478
                   +0 :              -0.00238668181371
                   +1 :               0.00351373333831
                   +2 :               0.00154077085156
                4d
                   -2 :               0.00115642912381
                   -1 :              -0.00010475855799
                   +0 :              -0.00014675774216
                   +1 :              -0.00063354019193
                   +2 :              -0.00005356192363
                4p
                   -1 :              -0.00031489605075
                   +0 :              -0.00174573710710
                   +1 :               0.00207725995322
              4 vec=    -5.186775     -6.231434      1.580534   |vec|=    8.260236
                3s
                   +0 :               0.00107698136171
                3p
                   -1 :              -0.00099348853090
                   +0 :               0.00062692398538
                   +1 :              -0.00071313415404
                4s
                   +0 :               0.00218501230783
                5s
                   +0 :              -0.00016593595682
                3d
                   -2 :              -0.00049234648669
                   -1 :              -0.00088921382474
                   +0 :               0.00032426676933
                   +1 :              -0.00311594310853
                   +2 :               0.00313463119668
                4d
                   -2 :              -0.00144293061800
                   -1 :               0.00095186002715
                   +0 :               0.00055283837952
                   +1 :              -0.00090422294589
                   +2 :               0.00074892794532
                4p
                   -1 :               0.00377870938256
                   +0 :               0.00140450851213
                   +1 :              -0.00107122161708
              5 vec=    10.373550      2.752324      1.580534   |vec|=   10.848222
                3s
                   +0 :              -0.00035104992298
                3p
                   -1 :               0.00005585704370
                   +0 :               0.00020737570335
                   +1 :              -0.00046731995896
                4s
                   +0 :               0.00005349137571
                5s
                   +0 :              -0.00000910653217
                3d
                   -2 :               0.00090831411795
                   -1 :               0.00135948162836
                   +0 :              -0.00058853678805
                   +1 :              -0.00065343426566
                   +2 :              -0.00004919534863
                4d
                   -2 :               0.00017927963806
                   -1 :              -0.00004831207555
                   +0 :               0.00008944425277
                   +1 :               0.00002831951068
                   +2 :               0.00041769839686
                4p
                   -1 :               0.00089550389117
                   +0 :              -0.00042768130268
                   +1 :               0.00013858443398
              6 vec=     2.593388    -10.723313      1.580534   |vec|=   11.145097
                3s
                   +0 :              -0.00020889720656
                3p
                   -1 :              -0.00015598091334
                   +0 :               0.00015152952097
                   +1 :               0.00042760245098
                4s
                   +0 :               0.00226118505211
                5s
                   +0 :              -0.00024846409337
                3d
                   -2 :              -0.00066720334840
                   -1 :              -0.00066964932247
                   +0 :              -0.00011714238308
                   +1 :               0.00103117508319
                   +2 :              -0.00005014852255
                4d
                   -2 :               0.00051753189342
                   -1 :              -0.00031454040264
                   +0 :               0.00003898983167
                   +1 :              -0.00011595093205
                   +2 :              -0.00030709212011
                4p
                   -1 :              -0.00079721729492
                   +0 :               0.00057446621109
                   +1 :              -0.00015877108516
              7 vec=    10.373550     -6.231434      1.580534   |vec|=   12.204073
                3s
                   +0 :              -0.00047384396627
                3p
                   -1 :               0.00018655427340
                   +0 :              -0.00009089104947
                   +1 :              -0.00025290267765
                4s
                   +0 :               0.00073596787574
                5s
                   +0 :              -0.00003258508635
                3d
                   -2 :              -0.00005037312246
                   -1 :               0.00024593409003
                   +0 :               0.00003547395366
                   +1 :              -0.00004960606161
                   +2 :               0.00021006118035
                4d
                   -2 :              -0.00030973946756
                   -1 :              -0.00006507325398
                   +0 :              -0.00008160325006
                   +1 :               0.00024304116726
                   +2 :              -0.00001300385763
                4p
                   -1 :              -0.00040023317952
                   +0 :               0.00028743122386
                   +1 :               0.00060490700953
              8 vec=    -5.186775     11.736082      1.580534   |vec|=   12.928122
                3s
                   +0 :               0.00001847895290
                3p
                   -1 :              -0.00050563586801
                   +0 :              -0.00041611833277
                   +1 :              -0.00020121586481
                4s
                   +0 :              -0.00136383163389
                5s
                   +0 :              -0.00000899952798
                3d
                   -2 :              -0.00125877199162
                   -1 :              -0.00150206830853
                   +0 :              -0.00016841535969
                   +1 :              -0.00059992869655
                   +2 :               0.00073623910363
                4d
                   -2 :              -0.00022354280277
                   -1 :              -0.00026538906406
                   +0 :              -0.00011406160694
                   +1 :              -0.00015403778744
                   +2 :              -0.00013849061005
                4p
                   -1 :              -0.00022673597634
                   +0 :              -0.00037949905411
                   +1 :              -0.00028406873535
              9 vec=   -12.966938     -1.739555      1.580534   |vec|=   13.178225
                3s
                   +0 :              -0.00040833891828
                3p
                   -1 :              -0.00002110706558
                   +0 :              -0.00005037058435
                   +1 :               0.00009739774190
                4s
                   +0 :               0.00090986344500
                5s
                   +0 :              -0.00001554528171
                3d
                   -2 :               0.00004754990927
                   -1 :              -0.00008445038789
                   +0 :               0.00003891574641
                   +1 :               0.00012563618539
                   +2 :              -0.00006609228994
                4d
                   -2 :               0.00005301313903
                   -1 :              -0.00014186133588
                   +0 :               0.00007840122366
                   +1 :              -0.00034396163665
                   +2 :               0.00000151877241
                4p
                   -1 :               0.00000361032841
                   +0 :               0.00017120798353
                   +1 :              -0.00032338644232
             10 vec=   -12.966938      7.244203      1.580534   |vec|=   14.937136
                3s
                   +0 :               0.00015052313010
                3p
                   -1 :               0.00006187152121
                   +0 :              -0.00011288916073
                   +1 :               0.00003656969059
                4s
                   +0 :              -0.00055783300224
                5s
                   +0 :               0.00003148450522
                3d
                   -2 :              -0.00021685980487
                   -1 :               0.00022636187802
                   +0 :              -0.00008517816056
                   +1 :               0.00047041197056
                   +2 :              -0.00024447111048
                4d
                   -2 :               0.00003334655103
                   -1 :               0.00009666874975
                   +0 :               0.00001956123825
                   +1 :              -0.00006054134500
                   +2 :               0.00002407294983
                4p
                   -1 :               0.00000417320455
                   +0 :               0.00007345485912
                   +1 :               0.00012718313760
             11 vec=    10.373550     11.736082      1.580534   |vec|=   15.743070
                3s
                   +0 :               0.00013250552056
                3p
                   -1 :               0.00008943480871
                   +0 :               0.00002838961421
                   +1 :               0.00000628223085
                4s
                   +0 :              -0.00030269931841
                5s
                   +0 :               0.00003493346144
                3d
                   -2 :              -0.00012969233561
                   -1 :              -0.00007282935060
                   +0 :               0.00005707103176
                   +1 :              -0.00006825484745
                   +2 :               0.00005372766935
                4d
                   -2 :               0.00003438159819
                   -1 :              -0.00008568052897
                   +0 :               0.00001995956530
                   +1 :              -0.00008708375091
                   +2 :              -0.00003333854297
                4p
                   -1 :              -0.00016838130999
                   +0 :              -0.00017791401451
                   +1 :              -0.00004756837514
             12 vec=    -5.186775    -15.215192      1.580534   |vec|=   16.152486
                3s
                   +0 :              -0.00004837535167
                3p
                   -1 :               0.00001593678204
                   +0 :              -0.00000969192990
                   +1 :               0.00007910530564
                4s
                   +0 :               0.00034818115162
                5s
                   +0 :               0.00000958237979
                3d
                   -2 :              -0.00005243514567
                   -1 :               0.00006804895800
                   +0 :               0.00001669631965
                   +1 :              -0.00010636235612
                   +2 :               0.00004851013109
                4d
                   -2 :               0.00011889252923
                   -1 :              -0.00005428429695
                   +0 :               0.00000258550002
                   +1 :              -0.00010346623821
                   +2 :               0.00006377898788
                4p
                   -1 :              -0.00002728321405
                   +0 :               0.00010077458178
                   +1 :              -0.00025071439013
             13 vec=     2.593388     16.227961      1.580534   |vec|=   16.509708
                3s
                   +0 :               0.00012509385521
                3p
                   -1 :               0.00001240778463
                   +0 :               0.00001400262307
                   +1 :              -0.00003085801272
                4s
                   +0 :              -0.00035341289164
                5s
                   +0 :               0.00000304714049
                3d
                   -2 :               0.00003035323557
                   -1 :              -0.00029586154834
                   +0 :              -0.00006127616513
                   +1 :               0.00008434257639
                   +2 :               0.00025079112785
                4d
                   -2 :              -0.00002588828472
                   -1 :              -0.00014680788836
                   +0 :              -0.00002004088335
                   +1 :               0.00005078764938
                   +2 :               0.00001859372845
                4p
                   -1 :              -0.00012769407329
                   +0 :              -0.00018801933408
                   +1 :               0.00006312724403
             14 vec=   -12.966938    -10.723313      1.580534   |vec|=   16.900562
                3s
                   +0 :               0.00003737682738
                3p
                   -1 :               0.00001393615034
                   +0 :               0.00006693159383
                   +1 :              -0.00006757522444
                4s
                   +0 :               0.00007191987764
                5s
                   +0 :              -0.00004053958517
                3d
                   -2 :               0.00013058760873
                   -1 :              -0.00011240257274
                   +0 :               0.00003496027736
                   +1 :              -0.00013201647502
                   +2 :              -0.00000291091372
                4d
                   -2 :               0.00001461174882
                   -1 :               0.00000684606837
                   +0 :              -0.00001450742222
                   +1 :               0.00004147220607
                   +2 :              -0.00001768218157
                4p
                   -1 :              -0.00008169095253
                   +0 :              -0.00008684410741
                   +1 :               0.00005661897858
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al(  4)  npairs=  14
              1 vec=     2.593388     -1.739555     -5.671791   |vec|=    6.474637
                2s
                   +0 :               0.00111796029331
                2p
                   -1 :               0.00037947775210
                   +0 :              -0.00071004694003
                   +1 :               0.00060994806592
                3s
                   +0 :              -0.00282838206838
                4s
                   +0 :               0.00071997906217
                3p
                   -1 :              -0.00329529491236
                   +0 :               0.00391531370507
                   +1 :              -0.00242255226944
                4p
                   -1 :               0.00116601110685
                   +0 :              -0.00153215370511
                   +1 :               0.00001884052048
                3d
                   -2 :               0.00089393898300
                   -1 :              -0.00161036072174
                   +0 :              -0.00162243540997
                   +1 :              -0.00019586020517
                   +2 :               0.00123181582469
              2 vec=    -5.186775      2.752324     -5.671791   |vec|=    8.163770
                2s
                   +0 :              -0.00034590748863
                2p
                   -1 :              -0.00051952905720
                   +0 :               0.00071130080881
                   +1 :              -0.00049778387031
                3s
                   +0 :               0.00504187229830
                4s
                   +0 :               0.00077572024303
                3p
                   -1 :               0.00573263450680
                   +0 :              -0.00302835689777
                   +1 :               0.00178961442544
                4p
                   -1 :              -0.00077815258924
                   +0 :               0.00100031870933
                   +1 :              -0.00135222062169
                3d
                   -2 :              -0.00187069488079
                   -1 :              -0.00110494691595
                   +0 :              -0.00090697527027
                   +1 :              -0.00049795307648
                   +2 :              -0.00128725921094
              3 vec=     2.593388      7.244203     -5.671791   |vec|=    9.558941
                2s
                   +0 :               0.00022524882085
                2p
                   -1 :              -0.00090462651025
                   +0 :              -0.00026507980535
                   +1 :               0.00042259343229
                3s
                   +0 :               0.00108426914764
                4s
                   +0 :              -0.00055633294556
                3p
                   -1 :               0.00557299206785
                   +0 :               0.00065751521024
                   +1 :              -0.00261464293024
                4p
                   -1 :              -0.00161919020669
                   +0 :              -0.00016179965681
                   +1 :               0.00067907441650
                3d
                   -2 :               0.00039650617697
                   -1 :              -0.00087698695550
                   +0 :               0.00012639724162
                   +1 :               0.00042475177855
                   +2 :              -0.00065379151083
              4 vec=    -5.186775     -6.231434     -5.671791   |vec|=    9.894576
                2s
                   +0 :              -0.00199065107080
                2p
                   -1 :               0.00142733159033
                   +0 :               0.00011288011514
                   +1 :              -0.00024818574688
                3s
                   +0 :               0.00530382039986
                4s
                   +0 :              -0.00156274795184
                3p
                   -1 :              -0.00643368688218
                   +0 :               0.00064225910967
                   +1 :               0.00157771691722
                4p
                   -1 :               0.00140453244755
                   +0 :              -0.00070621442247
                   +1 :              -0.00015921283209
                3d
                   -2 :              -0.00029790506989
                   -1 :               0.00060508070342
                   +0 :              -0.00056817831025
                   +1 :              -0.00040795205264
                   +2 :              -0.00106475379932
              5 vec=    10.373550      2.752324     -5.671791   |vec|=   12.138989
                2s
                   +0 :               0.00007264984930
                2p
                   -1 :              -0.00005216144512
                   +0 :              -0.00016892233297
                   +1 :               0.00013672176958
                3s
                   +0 :              -0.00026438925553
                4s
                   +0 :               0.00034842572124
                3p
                   -1 :               0.00070701218726
                   +0 :               0.00019806152900
                   +1 :              -0.00081359739750
                4p
                   -1 :              -0.00011003082178
                   +0 :              -0.00016232735956
                   +1 :               0.00041639549134
                3d
                   -2 :               0.00018674756068
                   -1 :              -0.00017859896727
                   +0 :               0.00003403766640
                   +1 :              -0.00000399035480
                   +2 :              -0.00024551765131
              6 vec=     2.593388    -10.723313     -5.671791   |vec|=   12.405012
                2s
                   +0 :               0.00002022265066
                2p
                   -1 :               0.00017113016869
                   +0 :               0.00006138649038
                   +1 :              -0.00012741938220
                3s
                   +0 :              -0.00234281126238
                4s
                   +0 :               0.00000417134706
                3p
                   -1 :               0.00072415018205
                   +0 :               0.00000882080754
                   +1 :               0.00111055206642
                4p
                   -1 :               0.00013961644017
                   +0 :              -0.00010302733154
                   +1 :              -0.00017810928088
                3d
                   -2 :              -0.00044008968030
                   -1 :               0.00025572752133
                   +0 :               0.00025658052395
                   +1 :              -0.00023072079290
                   +2 :               0.00014572596526
              7 vec=    10.373550     -6.231434     -5.671791   |vec|=   13.364525
                2s
                   +0 :              -0.00016583564595
                2p
                   -1 :               0.00003306998002
                   +0 :               0.00005895900013
                   +1 :               0.00000875872331
                3s
                   +0 :               0.00014392058132
                4s
                   +0 :              -0.00007144210583
                3p
                   -1 :              -0.00018174855355
                   +0 :              -0.00013021967591
                   +1 :              -0.00013673410800
                4p
                   -1 :              -0.00000366481707
                   +0 :              -0.00005274304787
                   +1 :               0.00003842674547
                3d
                   -2 :               0.00002531450032
                   -1 :               0.00000533169776
                   +0 :              -0.00003726920073
                   +1 :              -0.00000793426172
                   +2 :              -0.00015405417637
              8 vec=    -5.186775     11.736082     -5.671791   |vec|=   14.028809
                2s
                   +0 :               0.00034728183413
                2p
                   -1 :               0.00011577735685
                   +0 :              -0.00008877381235
                   +1 :              -0.00016800497183
                3s
                   +0 :              -0.00032716322916
                4s
                   +0 :               0.00004797348904
                3p
                   -1 :              -0.00024942621455
                   +0 :               0.00033037752490
                   +1 :               0.00036880167373
                4p
                   -1 :              -0.00001302987959
                   +0 :              -0.00008842002915
                   +1 :              -0.00003588650224
                3d
                   -2 :               0.00012283275284
                   -1 :               0.00015152014191
                   +0 :               0.00004076355833
                   +1 :              -0.00017414858120
                   +2 :               0.00000985414376
              9 vec=   -12.966938     -1.739555     -5.671791   |vec|=   14.259619
                2s
                   +0 :              -0.00010089697663
                2p
                   -1 :               0.00008250728199
                   +0 :               0.00002099170833
                   +1 :               0.00001662291895
                3s
                   +0 :               0.00068047953884
                4s
                   +0 :              -0.00026645815244
                3p
                   -1 :              -0.00060709824211
                   +0 :              -0.00007242771056
                   +1 :              -0.00024907253100
                4p
                   -1 :               0.00014229179476
                   +0 :               0.00007468089004
                   +1 :               0.00013327176132
                3d
                   -2 :               0.00006770679142
                   -1 :               0.00000914307035
                   +0 :              -0.00003418244809
                   +1 :              -0.00005661359353
                   +2 :              -0.00012818054920
             10 vec=   -12.966938      7.244203     -5.671791   |vec|=   15.899345
                2s
                   +0 :              -0.00006987751609
                2p
                   -1 :               0.00000193387759
                   +0 :               0.00004166613543
                   +1 :               0.00002068218941
                3s
                   +0 :               0.00030785096986
                4s
                   +0 :               0.00000498446664
                3p
                   -1 :              -0.00001953699853
                   +0 :              -0.00025116622868
                   +1 :              -0.00009337741539
                4p
                   -1 :               0.00003769988715
                   +0 :               0.00005864760482
                   +1 :               0.00000589897667
                3d
                   -2 :              -0.00002136399213
                   -1 :               0.00001447029737
                   +0 :              -0.00000476051642
                   +1 :               0.00001712126657
                   +2 :              -0.00000357364965
             11 vec=    10.373550     11.736082     -5.671791   |vec|=   16.658793
                2s
                   +0 :              -0.00002027026519
                2p
                   -1 :               0.00004167100097
                   +0 :              -0.00004271488708
                   +1 :               0.00001877157454
                3s
                   +0 :               0.00040552433830
                4s
                   +0 :              -0.00004753256393
                3p
                   -1 :              -0.00015194446517
                   +0 :               0.00015104779958
                   +1 :               0.00016057526734
                4p
                   -1 :               0.00003823322608
                   +0 :              -0.00001736591012
                   +1 :               0.00000538996205
                3d
                   -2 :              -0.00005784241670
                   -1 :               0.00008110637271
                   +0 :              -0.00003725668340
                   +1 :               0.00005273596359
                   +2 :               0.00004857929967
             12 vec=    -5.186775    -15.215192     -5.671791   |vec|=   17.046229
                2s
                   +0 :              -0.00006693522658
                2p
                   -1 :               0.00009808900010
                   +0 :               0.00001928892459
                   +1 :              -0.00001306469448
                3s
                   +0 :              -0.00026507327650
                4s
                   +0 :              -0.00008957601334
                3p
                   -1 :              -0.00029490111309
                   +0 :               0.00000387536035
                   +1 :               0.00006341368256
                4p
                   -1 :               0.00012887620157
                   +0 :              -0.00000999010065
                   +1 :               0.00000176773638
                3d
                   -2 :               0.00001748127499
                   -1 :               0.00007631171629
                   +0 :              -0.00000937311207
                   +1 :               0.00000642857966
                   +2 :              -0.00004772854035
             13 vec=     2.593388     16.227961     -5.671791   |vec|=   17.385097
                2s
                   +0 :              -0.00003811166909
                2p
                   -1 :              -0.00002294447010
                   +0 :              -0.00000872434389
                   +1 :              -0.00002473303749
                3s
                   +0 :               0.00032156349630
                4s
                   +0 :              -0.00008990759753
                3p
                   -1 :               0.00014989089669
                   +0 :              -0.00003416426287
                   +1 :               0.00015683202340
                4p
                   -1 :              -0.00004901772833
                   +0 :               0.00002788992102
                   +1 :              -0.00003109206120
                3d
                   -2 :               0.00001797874362
                   -1 :              -0.00000413715609
                   +0 :               0.00003963900708
                   +1 :              -0.00003400391633
                   +2 :              -0.00000414273814
             14 vec=   -12.966938    -10.723313     -5.671791   |vec|=   17.756693
                2s
                   +0 :               0.00003285767570
                2p
                   -1 :              -0.00001132944612
                   +0 :              -0.00001359133915
                   +1 :               0.00000777119292
                3s
                   +0 :              -0.00018073965414
                4s
                   +0 :               0.00003130655725
                3p
                   -1 :               0.00003746896588
                   +0 :               0.00002692437405
                   +1 :              -0.00003037747528
                4p
                   -1 :              -0.00001956292928
                   +0 :               0.00001976210044
                   +1 :               0.00002509925097
                3d
                   -2 :               0.00004776919885
                   -1 :               0.00001855349748
                   +0 :               0.00000388157555
                   +1 :              -0.00001883794261
                   +2 :              -0.00002167099415
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al(  5)  npairs=  13
              1 vec=     0.000000      2.752324     -9.763130   |vec|=   10.143668
                2s
                   +0 :              -0.00039046135197
                2p
                   -1 :              -0.00011007806976
                   +0 :               0.00016890115439
                   +1 :               0.00017141241106
                3s
                   +0 :               0.00082371052040
                4s
                   +0 :              -0.00019854919380
                3p
                   -1 :              -0.00078079211306
                   +0 :              -0.00055347441908
                   +1 :              -0.00071207119723
                4p
                   -1 :               0.00001699386954
                   +0 :               0.00015633503386
                   +1 :               0.00032623114956
                3d
                   -2 :              -0.00040278664689
                   -1 :               0.00017836450436
                   +0 :              -0.00004555743449
                   +1 :              -0.00001373815923
                   +2 :              -0.00046777564842
              2 vec=     0.000000     -6.231434     -9.763130   |vec|=   11.582292
                2s
                   +0 :               0.00038238567744
                2p
                   -1 :              -0.00004618173489
                   +0 :              -0.00020800198209
                   +1 :               0.00016547781330
                3s
                   +0 :              -0.00197382119669
                4s
                   +0 :               0.00086809130121
                3p
                   -1 :               0.00028888191784
                   +0 :               0.00171380991556
                   +1 :              -0.00047978983211
                4p
                   -1 :              -0.00012076413668
                   +0 :              -0.00062183598276
                   +1 :              -0.00005775889744
                3d
                   -2 :               0.00035787583249
                   -1 :              -0.00018545389887
                   +0 :              -0.00037500397355
                   +1 :               0.00009389790460
                   +2 :              -0.00007551105084
              3 vec=    -7.780163     -1.739555     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00010966417688
                2p
                   -1 :               0.00002362025049
                   +0 :               0.00004583986553
                   +1 :               0.00009928270217
                3s
                   +0 :               0.00235402893860
                4s
                   +0 :              -0.00034761561808
                3p
                   -1 :              -0.00091655836270
                   +0 :              -0.00077716979053
                   +1 :              -0.00192337084909
                4p
                   -1 :              -0.00005504187296
                   +0 :               0.00028869495815
                   +1 :               0.00028128196848
                3d
                   -2 :               0.00025263924998
                   -1 :               0.00000585592248
                   +0 :              -0.00025012938132
                   +1 :               0.00024928093790
                   +2 :               0.00013876997479
              4 vec=     7.780163     -1.739555     -9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00011167738256
                2p
                   -1 :              -0.00011407796275
                   +0 :               0.00002999239923
                   +1 :              -0.00000922745370
                3s
                   +0 :               0.00031338854364
                4s
                   +0 :               0.00015112156409
                3p
                   -1 :               0.00034774066264
                   +0 :              -0.00038101690218
                   +1 :               0.00093635933421
                4p
                   -1 :              -0.00023997319059
                   +0 :               0.00004184923591
                   +1 :              -0.00012540063804
                3d
                   -2 :              -0.00027735462561
                   -1 :               0.00010092334842
                   +0 :              -0.00006564805562
                   +1 :              -0.00033214663538
                   +2 :               0.00022481460660
              5 vec=    -7.780163      7.244203     -9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00023574719722
                2p
                   -1 :               0.00006783295012
                   +0 :               0.00006830635388
                   +1 :               0.00004725093058
                3s
                   +0 :               0.00089248629621
                4s
                   +0 :              -0.00020428802379
                3p
                   -1 :              -0.00034469851937
                   +0 :              -0.00034148307424
                   +1 :              -0.00010356020244
                4p
                   -1 :               0.00009120297359
                   +0 :               0.00008354847611
                   +1 :              -0.00003020791561
                3d
                   -2 :               0.00019717522055
                   -1 :               0.00011390014995
                   +0 :               0.00001286389520
                   +1 :               0.00003830629404
                   +2 :               0.00002743043591
              6 vec=     7.780163      7.244203     -9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00001342335022
                2p
                   -1 :               0.00004948684482
                   +0 :               0.00001285203966
                   +1 :              -0.00014858609965
                3s
                   +0 :               0.00009567088252
                4s
                   +0 :              -0.00022393917046
                3p
                   -1 :              -0.00033956227659
                   +0 :              -0.00012514064602
                   +1 :               0.00089922770759
                4p
                   -1 :              -0.00002777753890
                   +0 :               0.00006754660810
                   +1 :              -0.00027004939802
                3d
                   -2 :               0.00005304095507
                   -1 :               0.00011609744978
                   +0 :               0.00007129539917
                   +1 :              -0.00016421095977
                   +2 :               0.00021758646497
              7 vec=     0.000000      2.752324     14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00011533605456
                2p
                   -1 :              -0.00005109384051
                   +0 :               0.00002240372001
                   +1 :               0.00000529125022
                3s
                   +0 :              -0.00036561503883
                4s
                   +0 :               0.00010676139280
                3p
                   -1 :               0.00033647198158
                   +0 :              -0.00000125821791
                   +1 :              -0.00009132814349
                4p
                   -1 :              -0.00004509941568
                   +0 :               0.00000517648044
                   +1 :              -0.00003423890504
                3d
                   -2 :              -0.00009079274035
                   -1 :               0.00008190796796
                   +0 :               0.00007247735890
                   +1 :               0.00001302056314
                   +2 :              -0.00006942773022
              8 vec=     0.000000     11.736082     -9.763130   |vec|=   15.266117
                2s
                   +0 :               0.00030826579785
                2p
                   -1 :               0.00018182528641
                   +0 :              -0.00015839926168
                   +1 :              -0.00007976045459
                3s
                   +0 :              -0.00084437043747
                4s
                   +0 :               0.00022755372955
                3p
                   -1 :              -0.00092084834441
                   +0 :               0.00067941818422
                   +1 :               0.00053182493539
                4p
                   -1 :               0.00018945267990
                   +0 :              -0.00012429438798
                   +1 :              -0.00020870635627
                3d
                   -2 :               0.00005569676195
                   -1 :               0.00032152961544
                   +0 :               0.00000513269689
                   +1 :              -0.00001810043637
                   +2 :               0.00020207779650
              9 vec=     0.000000     -6.231434     14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00006123906036
                2p
                   -1 :              -0.00000996410411
                   +0 :               0.00001581763004
                   +1 :               0.00003931101287
                3s
                   +0 :              -0.00040352670015
                4s
                   +0 :               0.00010785950565
                3p
                   -1 :              -0.00007172681610
                   +0 :              -0.00022453989050
                   +1 :              -0.00021898024524
                4p
                   -1 :               0.00000527808744
                   +0 :               0.00003405890286
                   +1 :               0.00004070937745
                3d
                   -2 :              -0.00008347259753
                   -1 :              -0.00001061721696
                   +0 :              -0.00004012918407
                   +1 :               0.00000830675912
                   +2 :               0.00002778255733
             10 vec=    -7.780163    -10.723313     -9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00009455220857
                2p
                   -1 :               0.00004204015061
                   +0 :              -0.00000296121278
                   +1 :               0.00008305554754
                3s
                   +0 :               0.00007740518526
                4s
                   +0 :              -0.00006172508774
                3p
                   -1 :              -0.00016546753512
                   +0 :               0.00014689942904
                   +1 :              -0.00028565086138
                4p
                   -1 :               0.00003630824314
                   +0 :              -0.00003718886079
                   +1 :               0.00005541930744
                3d
                   -2 :               0.00003101078324
                   -1 :              -0.00002757148235
                   +0 :              -0.00003747546076
                   +1 :               0.00002033924738
                   +2 :               0.00001975694462
             11 vec=     7.780163    -10.723313     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00007623201665
                2p
                   -1 :              -0.00000586417167
                   +0 :              -0.00001566863202
                   +1 :              -0.00001321680561
                3s
                   +0 :              -0.00110104179503
                4s
                   +0 :               0.00010514749515
                3p
                   -1 :               0.00021189167019
                   +0 :               0.00025584870921
                   +1 :              -0.00042216046816
                4p
                   -1 :              -0.00001245418344
                   +0 :              -0.00005871449640
                   +1 :               0.00001416788877
                3d
                   -2 :               0.00007093679738
                   -1 :              -0.00001074645309
                   +0 :               0.00003770566052
                   +1 :               0.00004140806598
                   +2 :              -0.00008764558845
             12 vec=    -7.780163     -1.739555     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00009751194903
                2p
                   -1 :              -0.00004586317718
                   +0 :               0.00001084278429
                   +1 :              -0.00000223569892
                3s
                   +0 :              -0.00069913758669
                4s
                   +0 :               0.00010543040562
                3p
                   -1 :               0.00010636152542
                   +0 :              -0.00025100543735
                   +1 :               0.00022646233356
                4p
                   -1 :              -0.00004222940290
                   +0 :               0.00000551916550
                   +1 :              -0.00003314856827
                3d
                   -2 :               0.00001351883907
                   -1 :               0.00001013231655
                   +0 :              -0.00002232390393
                   +1 :               0.00007340217740
                   +2 :              -0.00008096041579
             13 vec=     7.780163     -1.739555     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00000695485532
                2p
                   -1 :              -0.00001334530154
                   +0 :               0.00001034738013
                   +1 :               0.00002113979386
                3s
                   +0 :               0.00026691346250
                4s
                   +0 :              -0.00008528151057
                3p
                   -1 :              -0.00005844057434
                   +0 :               0.00006911324458
                   +1 :              -0.00039619179721
                4p
                   -1 :               0.00002619519597
                   +0 :              -0.00004053380299
                   +1 :               0.00004638995021
                3d
                   -2 :              -0.00004471041789
                   -1 :              -0.00003970055435
                   +0 :               0.00003079828256
                   +1 :              -0.00007282639116
                   +2 :               0.00007640836329
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al(  6)  npairs=  14
              1 vec=     0.000000      2.752324     -2.510804   |vec|=    3.725510
                2s
                   +0 :               0.02225720551338
                2p
                   -1 :               0.02457501262128
                   +0 :              -0.02163951428083
                   +1 :              -0.00183024447482
                3s
                   +0 :               0.07932307264496
                4s
                   +0 :               0.00876179700014
                3p
                   -1 :               0.03104076321666
                   +0 :              -0.06646297227267
                   +1 :               0.01649701986173
                4p
                   -1 :               0.01302292830389
                   +0 :              -0.00874978048296
                   +1 :              -0.00456648439186
                3d
                   -2 :               0.00354614250211
                   -1 :              -0.04526201658148
                   +0 :               0.02439161336538
                   +1 :              -0.00271624733695
                   +2 :              -0.01667779148315
              2 vec=     0.000000     -6.231434     -2.510804   |vec|=    6.718252
                2s
                   +0 :               0.00335336542747
                2p
                   -1 :              -0.00217571247381
                   +0 :              -0.00115733793945
                   +1 :               0.00090571845687
                3s
                   +0 :              -0.01176934853701
                4s
                   +0 :               0.00554803881639
                3p
                   -1 :               0.00327874385061
                   +0 :               0.00390704229401
                   +1 :              -0.00184843766417
                4p
                   -1 :              -0.00341093420276
                   +0 :              -0.00144126917196
                   +1 :               0.00140461088369
                3d
                   -2 :               0.00051518563792
                   -1 :              -0.00036351126244
                   +0 :              -0.00052415420900
                   +1 :              -0.00086520257799
                   +2 :              -0.00102238805096
              3 vec=    -7.780163     -1.739555     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00020281912703
                2p
                   -1 :              -0.00046954668818
                   +0 :               0.00020873666421
                   +1 :               0.00006462969317
                3s
                   +0 :               0.00370381597545
                4s
                   +0 :              -0.00295161864718
                3p
                   -1 :               0.00356949416377
                   +0 :              -0.00176603708510
                   +1 :              -0.00381538781152
                4p
                   -1 :              -0.00097482607363
                   +0 :               0.00082370534001
                   +1 :               0.00251668979493
                3d
                   -2 :              -0.00043037523749
                   -1 :              -0.00028676226439
                   +0 :               0.00000288447054
                   +1 :               0.00114075380841
                   +2 :               0.00055213757975
              4 vec=     7.780163     -1.739555     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00028490951013
                2p
                   -1 :              -0.00070365434463
                   +0 :              -0.00052162906893
                   +1 :              -0.00074916208057
                3s
                   +0 :              -0.00150602221351
                4s
                   +0 :              -0.00098826523373
                3p
                   -1 :               0.00352901344571
                   +0 :               0.00456896255440
                   +1 :               0.00429321232427
                4p
                   -1 :              -0.00012856649372
                   +0 :              -0.00034120834275
                   +1 :              -0.00122177695482
                3d
                   -2 :               0.00044955730304
                   -1 :              -0.00113100651968
                   +0 :              -0.00193873124516
                   +1 :               0.00029500402758
                   +2 :               0.00166422263071
              5 vec=    -7.780163      7.244203     -2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00006508398355
                2p
                   -1 :               0.00022332933142
                   +0 :              -0.00012609649192
                   +1 :               0.00017937593549
                3s
                   +0 :               0.00053820042272
                4s
                   +0 :              -0.00023394694621
                3p
                   -1 :              -0.00147690962692
                   +0 :               0.00047853440205
                   +1 :              -0.00110562405817
                4p
                   -1 :               0.00026070366470
                   +0 :              -0.00016810844647
                   +1 :               0.00039310946962
                3d
                   -2 :              -0.00017054689043
                   -1 :               0.00029526523679
                   +0 :              -0.00012857375539
                   +1 :               0.00032893649604
                   +2 :               0.00004349631542
              6 vec=     7.780163      7.244203     -2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00041999023027
                2p
                   -1 :               0.00011574699985
                   +0 :               0.00008641257878
                   +1 :              -0.00003049974379
                3s
                   +0 :              -0.00024457304279
                4s
                   +0 :              -0.00011713549124
                3p
                   -1 :              -0.00081333251088
                   +0 :              -0.00056661969001
                   +1 :               0.00108816727437
                4p
                   -1 :              -0.00016253451530
                   +0 :               0.00018100170126
                   +1 :              -0.00042548616835
                3d
                   -2 :               0.00010385954034
                   -1 :               0.00028112524764
                   +0 :              -0.00026371052075
                   +1 :              -0.00028787243742
                   +2 :               0.00021017160752
              7 vec=     0.000000     11.736082     -2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00015062453506
                2p
                   -1 :               0.00015951019659
                   +0 :              -0.00014903274891
                   +1 :              -0.00002865051346
                3s
                   +0 :               0.00040590565823
                4s
                   +0 :               0.00028793790029
                3p
                   -1 :              -0.00042362958276
                   +0 :              -0.00009743971532
                   +1 :              -0.00021713324639
                4p
                   -1 :               0.00024756741714
                   +0 :              -0.00013849970668
                   +1 :               0.00013605428598
                3d
                   -2 :               0.00021772393029
                   -1 :              -0.00021352055022
                   +0 :               0.00024574910145
                   +1 :               0.00016484479515
                   +2 :              -0.00003654944481
              8 vec=    -7.780163    -10.723313     -2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00018097510831
                2p
                   -1 :              -0.00007926466244
                   +0 :               0.00013568181776
                   +1 :               0.00013314463128
                3s
                   +0 :              -0.00138824392178
                4s
                   +0 :              -0.00003928461786
                3p
                   -1 :               0.00039685559890
                   +0 :              -0.00000988619383
                   +1 :              -0.00017551171802
                4p
                   -1 :              -0.00004282009272
                   +0 :               0.00011516042622
                   +1 :               0.00029404061275
                3d
                   -2 :              -0.00001717631309
                   -1 :               0.00011935106947
                   +0 :              -0.00008343342198
                   +1 :              -0.00026384542328
                   +2 :               0.00009378061888
              9 vec=     7.780163    -10.723313     -2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00013419216995
                2p
                   -1 :               0.00004119927695
                   +0 :              -0.00003916229724
                   +1 :               0.00013254463447
                3s
                   +0 :              -0.00147340970809
                4s
                   +0 :               0.00023732218202
                3p
                   -1 :              -0.00025856787845
                   +0 :               0.00077165201442
                   +1 :              -0.00118449695322
                4p
                   -1 :               0.00010561448431
                   +0 :               0.00001176827577
                   +1 :               0.00022549259838
                3d
                   -2 :               0.00012429265074
                   -1 :              -0.00010594558699
                   +0 :              -0.00035051995046
                   +1 :               0.00026062220341
                   +2 :              -0.00011837013867
             10 vec=     0.000000    -15.215192     -2.510804   |vec|=   15.420966
                2s
                   +0 :               0.00003391022239
                2p
                   -1 :              -0.00003476330345
                   +0 :               0.00000273319412
                   +1 :               0.00003260184948
                3s
                   +0 :              -0.00068186560996
                4s
                   +0 :               0.00020152497460
                3p
                   -1 :               0.00035010176136
                   +0 :               0.00006884238397
                   +1 :              -0.00029645313170
                4p
                   -1 :              -0.00014603673204
                   +0 :               0.00000211010505
                   +1 :               0.00009096422599
                3d
                   -2 :               0.00004184856960
                   -1 :              -0.00002261551716
                   +0 :              -0.00000583182202
                   +1 :              -0.00000413211302
                   +2 :               0.00005208719827
             11 vec=   -15.560325      2.752324     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00000826897281
                2p
                   -1 :              -0.00006532677068
                   +0 :              -0.00002612469780
                   +1 :              -0.00002538673740
                3s
                   +0 :               0.00021736066277
                4s
                   +0 :              -0.00000287113618
                3p
                   -1 :               0.00034548491477
                   +0 :               0.00014530360665
                   +1 :              -0.00002459479894
                4p
                   -1 :              -0.00007678090710
                   +0 :              -0.00002581820162
                   +1 :              -0.00000756135544
                3d
                   -2 :              -0.00005630175031
                   -1 :               0.00006560567866
                   +0 :               0.00000079255078
                   +1 :               0.00001876348225
                   +2 :              -0.00001471048957
             12 vec=    15.560325      2.752324     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00000607766897
                2p
                   -1 :               0.00001619407277
                   +0 :              -0.00000045081186
                   +1 :               0.00005439683046
                3s
                   +0 :               0.00020073472174
                4s
                   +0 :               0.00003709079349
                3p
                   -1 :              -0.00012985756693
                   +0 :              -0.00006108923989
                   +1 :              -0.00014404278323
                4p
                   -1 :               0.00001283728024
                   +0 :              -0.00001702145248
                   +1 :               0.00007586716739
                3d
                   -2 :              -0.00006948978254
                   -1 :               0.00008774601272
                   +0 :               0.00004929930113
                   +1 :               0.00001712260038
                   +2 :              -0.00004348241226
             13 vec=   -15.560325     -6.231434     -2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00000377893021
                2p
                   -1 :               0.00001998546220
                   +0 :               0.00001060114168
                   +1 :              -0.00000410823575
                3s
                   +0 :              -0.00011965871392
                4s
                   +0 :               0.00003470717719
                3p
                   -1 :              -0.00012072576962
                   +0 :               0.00002343664547
                   +1 :               0.00010329523550
                4p
                   -1 :               0.00003139634934
                   +0 :              -0.00000211960021
                   +1 :              -0.00003970287482
                3d
                   -2 :               0.00000683824798
                   -1 :              -0.00001114752492
                   +0 :              -0.00000090006481
                   +1 :              -0.00002613641594
                   +2 :              -0.00002106993773
             14 vec=    15.560325     -6.231434     -2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00006285101145
                2p
                   -1 :               0.00000442581939
                   +0 :               0.00002899906616
                   +1 :              -0.00001899875394
                3s
                   +0 :               0.00021242048942
                4s
                   +0 :              -0.00007727491630
                3p
                   -1 :              -0.00009401368688
                   +0 :              -0.00018091356131
                   +1 :               0.00006999866555
                4p
                   -1 :              -0.00000073861568
                   +0 :               0.00006161520462
                   +1 :              -0.00001573969836
                3d
                   -2 :              -0.00000458559382
                   -1 :               0.00002679056012
                   +0 :               0.00001214797138
                   +1 :              -0.00000813361133
                   +2 :               0.00001152915423
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al(  7)  npairs=  13
              1 vec=     0.000000      2.752324      9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00025725476447
                2p
                   -1 :              -0.00002740748663
                   +0 :              -0.00003039965445
                   +1 :              -0.00026079886647
                3s
                   +0 :              -0.00096981811395
                4s
                   +0 :               0.00016418903149
                3p
                   -1 :              -0.00070009784352
                   +0 :              -0.00067935772707
                   +1 :               0.00199837971906
                4p
                   -1 :               0.00002167235071
                   +0 :               0.00022375955036
                   +1 :              -0.00065839565054
                3d
                   -2 :               0.00062732759642
                   -1 :              -0.00045780770111
                   +0 :              -0.00022761797973
                   +1 :               0.00004318377941
                   +2 :              -0.00044453133205
              2 vec=     0.000000     -6.231434      9.762967   |vec|=   11.582154
                2s
                   +0 :               0.00015127501513
                2p
                   -1 :               0.00001273096528
                   +0 :               0.00018985038177
                   +1 :              -0.00022164432195
                3s
                   +0 :               0.00030984520612
                4s
                   +0 :               0.00073628553138
                3p
                   -1 :              -0.00055775610027
                   +0 :              -0.00156979048910
                   +1 :              -0.00065988720174
                4p
                   -1 :              -0.00004566439464
                   +0 :               0.00063484618008
                   +1 :              -0.00003659610110
                3d
                   -2 :              -0.00005911657930
                   -1 :               0.00002551165144
                   +0 :              -0.00060324079664
                   +1 :               0.00017355942554
                   +2 :              -0.00001665377834
              3 vec=    -7.780163     -1.739555      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00000972687075
                2p
                   -1 :              -0.00014197299534
                   +0 :              -0.00002214323480
                   +1 :              -0.00000780954700
                3s
                   +0 :               0.00081529498588
                4s
                   +0 :               0.00004320178501
                3p
                   -1 :               0.00059399458776
                   +0 :               0.00028404195736
                   +1 :              -0.00101964498906
                4p
                   -1 :              -0.00028272957643
                   +0 :              -0.00001172696356
                   +1 :               0.00014876634912
                3d
                   -2 :               0.00027463335829
                   -1 :              -0.00008739348167
                   +0 :              -0.00016446421938
                   +1 :              -0.00028426206063
                   +2 :               0.00031430637082
              4 vec=     7.780163     -1.739555      9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00029168875554
                2p
                   -1 :               0.00001844357312
                   +0 :              -0.00026704434742
                   +1 :              -0.00018460129975
                3s
                   +0 :               0.00175563555149
                4s
                   +0 :              -0.00075870693550
                3p
                   -1 :               0.00114763264356
                   +0 :               0.00219599232816
                   +1 :               0.00075800379682
                4p
                   -1 :              -0.00020219352707
                   +0 :              -0.00069740663091
                   +1 :              -0.00038947724083
                3d
                   -2 :              -0.00000361183698
                   -1 :              -0.00015860994468
                   +0 :               0.00022094768356
                   +1 :               0.00046547864475
                   +2 :              -0.00002424044140
              5 vec=    -7.780163      7.244203      9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00005636061159
                2p
                   -1 :               0.00006249153997
                   +0 :              -0.00000728718487
                   +1 :               0.00011459189162
                3s
                   +0 :              -0.00001631773756
                4s
                   +0 :              -0.00011428886696
                3p
                   -1 :              -0.00034497148328
                   +0 :               0.00012086195681
                   +1 :              -0.00061298551711
                4p
                   -1 :               0.00003859242031
                   +0 :              -0.00006844332205
                   +1 :               0.00021237076774
                3d
                   -2 :              -0.00002810273276
                   -1 :              -0.00006948764557
                   +0 :               0.00006729280218
                   +1 :              -0.00009872755753
                   +2 :               0.00017526390376
              6 vec=     7.780163      7.244203      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00010535701929
                2p
                   -1 :               0.00012738985061
                   +0 :              -0.00004147387765
                   +1 :              -0.00000599976645
                3s
                   +0 :              -0.00023200208116
                4s
                   +0 :              -0.00004622512314
                3p
                   -1 :              -0.00071546816616
                   +0 :               0.00010820365302
                   +1 :              -0.00042278468265
                4p
                   -1 :               0.00013638995557
                   +0 :               0.00003967890750
                   +1 :               0.00012006595493
                3d
                   -2 :              -0.00027624964401
                   -1 :              -0.00016838917008
                   +0 :               0.00008821493887
                   +1 :              -0.00001516274349
                   +2 :               0.00001769898469
              7 vec=     0.000000      2.752324    -14.784576   |vec|=   15.038583
                2s
                   +0 :               0.00002676214389
                2p
                   -1 :              -0.00001036986130
                   +0 :              -0.00001099346542
                   +1 :              -0.00000730758137
                3s
                   +0 :               0.00022543061978
                4s
                   +0 :              -0.00004384242053
                3p
                   -1 :              -0.00001062986059
                   +0 :              -0.00014520321617
                   +1 :               0.00001401507552
                4p
                   -1 :               0.00001907536094
                   +0 :               0.00002878140507
                   +1 :               0.00003957024131
                3d
                   -2 :               0.00012271074679
                   -1 :              -0.00002966771145
                   +0 :               0.00004869234402
                   +1 :               0.00001416811376
                   +2 :              -0.00004624488518
              8 vec=     0.000000     11.736082      9.762967   |vec|=   15.266013
                2s
                   +0 :               0.00039337694202
                2p
                   -1 :               0.00025481998792
                   +0 :               0.00018674089177
                   +1 :               0.00009301152909
                3s
                   +0 :              -0.00139558890190
                4s
                   +0 :               0.00037534224195
                3p
                   -1 :              -0.00100260224695
                   +0 :              -0.00095759757769
                   +1 :              -0.00049479830295
                4p
                   -1 :               0.00025822801579
                   +0 :               0.00020292272496
                   +1 :               0.00019677678926
                3d
                   -2 :              -0.00006521052915
                   -1 :              -0.00036476724515
                   +0 :              -0.00003558058901
                   +1 :              -0.00003545558732
                   +2 :               0.00020606625386
              9 vec=     0.000000     -6.231434    -14.784576   |vec|=   16.044141
                2s
                   +0 :               0.00010468717990
                2p
                   -1 :              -0.00003471676644
                   +0 :              -0.00003127939570
                   +1 :              -0.00000581332898
                3s
                   +0 :              -0.00052699214597
                4s
                   +0 :               0.00015177817476
                3p
                   -1 :              -0.00001343157415
                   +0 :               0.00021865897280
                   +1 :               0.00004535584226
                4p
                   -1 :              -0.00002017346003
                   +0 :              -0.00004521119988
                   +1 :              -0.00002031360298
                3d
                   -2 :               0.00000425173740
                   -1 :               0.00001264442844
                   +0 :               0.00000174185266
                   +1 :              -0.00000084791959
                   +2 :              -0.00000114234708
             10 vec=    -7.780163    -10.723313      9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00003974991685
                2p
                   -1 :              -0.00000925912025
                   +0 :               0.00000030363908
                   +1 :               0.00001308204885
                3s
                   +0 :              -0.00031349771936
                4s
                   +0 :               0.00002416598662
                3p
                   -1 :               0.00001641669587
                   +0 :               0.00001127587996
                   +1 :               0.00019535238681
                4p
                   -1 :               0.00000135348662
                   +0 :              -0.00003045958701
                   +1 :              -0.00002870846075
                3d
                   -2 :              -0.00001887402677
                   -1 :              -0.00000176267796
                   +0 :               0.00003714569174
                   +1 :               0.00000382949265
                   +2 :              -0.00004203852756
             11 vec=     7.780163    -10.723313      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00012561466779
                2p
                   -1 :               0.00000495161441
                   +0 :              -0.00000375799830
                   +1 :              -0.00006855828553
                3s
                   +0 :               0.00074185657681
                4s
                   +0 :              -0.00012046153964
                3p
                   -1 :              -0.00006558980258
                   +0 :               0.00007547912733
                   +1 :               0.00037252112591
                4p
                   -1 :              -0.00003391356873
                   +0 :              -0.00005485797149
                   +1 :              -0.00003299424149
                3d
                   -2 :              -0.00002179080512
                   -1 :               0.00002759335751
                   +0 :              -0.00003172520838
                   +1 :               0.00002316527831
                   +2 :               0.00005985547892
             12 vec=    -7.780163     -1.739555    -14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00002725334386
                2p
                   -1 :              -0.00000186796548
                   +0 :               0.00001322161946
                   +1 :               0.00005453939064
                3s
                   +0 :               0.00011438760218
                4s
                   +0 :              -0.00006432835237
                3p
                   -1 :              -0.00015104486840
                   +0 :               0.00001594686237
                   +1 :              -0.00014139243485
                4p
                   -1 :               0.00000354010137
                   +0 :               0.00003921553181
                   +1 :               0.00004821977387
                3d
                   -2 :               0.00000844007763
                   -1 :               0.00003043067382
                   +0 :              -0.00001612839998
                   +1 :              -0.00001266134364
                   +2 :              -0.00006380853745
             13 vec=     7.780163     -1.739555    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00008386329693
                2p
                   -1 :              -0.00002522921707
                   +0 :              -0.00001227882327
                   +1 :               0.00001303037192
                3s
                   +0 :              -0.00050991188123
                4s
                   +0 :               0.00009153487010
                3p
                   -1 :               0.00002329720481
                   +0 :               0.00018738068989
                   +1 :              -0.00022951566966
                4p
                   -1 :              -0.00002338644615
                   +0 :              -0.00000350785623
                   +1 :               0.00004783512550
                3d
                   -2 :              -0.00001315267256
                   -1 :              -0.00000642097490
                   +0 :              -0.00000447330996
                   +1 :               0.00007332069291
                   +2 :              -0.00007012603612
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al(  8)  npairs=  14
              1 vec=     0.000000      2.752324      2.510641   |vec|=    3.725400
                2s
                   +0 :               0.02237641190980
                2p
                   -1 :               0.02352524550657
                   +0 :               0.02094714365673
                   +1 :               0.00173464955180
                3s
                   +0 :               0.06932090740470
                4s
                   +0 :               0.00750428437589
                3p
                   -1 :               0.02415930961191
                   +0 :               0.06385462219858
                   +1 :              -0.00706336081047
                4p
                   -1 :               0.01263746722559
                   +0 :               0.00780974368553
                   +1 :               0.00401657807700
                3d
                   -2 :               0.00073021165150
                   -1 :               0.04244615838023
                   +0 :               0.02435631572185
                   +1 :               0.00246059629455
                   +2 :              -0.01459056003363
              2 vec=     0.000000     -6.231434      2.510641   |vec|=    6.718191
                2s
                   +0 :               0.00244778855901
                2p
                   -1 :              -0.00149344454931
                   +0 :               0.00095339229423
                   +1 :              -0.00059844551013
                3s
                   +0 :              -0.00566883435589
                4s
                   +0 :               0.00534402016950
                3p
                   -1 :               0.00179145369410
                   +0 :               0.00035391278169
                   +1 :               0.00514704852048
                4p
                   -1 :              -0.00267077492149
                   +0 :               0.00106812540058
                   +1 :              -0.00121988198995
                3d
                   -2 :              -0.00146918146013
                   -1 :              -0.00003390226126
                   +0 :              -0.00019113905627
                   +1 :               0.00029832604971
                   +2 :              -0.00071037574444
              3 vec=    -7.780163     -1.739555      2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00118835587602
                2p
                   -1 :              -0.00039359807078
                   +0 :               0.00010114997266
                   +1 :               0.00087429495562
                3s
                   +0 :               0.00458885086379
                4s
                   +0 :              -0.00111349496390
                3p
                   -1 :               0.00081367882739
                   +0 :               0.00036266054202
                   +1 :              -0.00510942846119
                4p
                   -1 :              -0.00006116456148
                   +0 :               0.00024699457671
                   +1 :               0.00115758082013
                3d
                   -2 :              -0.00055667144456
                   -1 :               0.00004081805347
                   +0 :              -0.00096407082051
                   +1 :              -0.00076458054778
                   +2 :               0.00116498713842
              4 vec=     7.780163     -1.739555      2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00004173790941
                2p
                   -1 :              -0.00043837437810
                   +0 :               0.00028609154284
                   +1 :              -0.00039782411729
                3s
                   +0 :               0.00163061892032
                4s
                   +0 :              -0.00176797349036
                3p
                   -1 :               0.00363887549721
                   +0 :              -0.00250766436037
                   +1 :               0.00742821839964
                4p
                   -1 :              -0.00104460112412
                   +0 :               0.00011038939690
                   +1 :              -0.00172933953617
                3d
                   -2 :              -0.00053696290406
                   -1 :               0.00126650151351
                   +0 :              -0.00213290658808
                   +1 :               0.00199735807906
                   +2 :               0.00223571737529
              5 vec=    -7.780163      7.244203      2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00020998296548
                2p
                   -1 :               0.00014549916237
                   +0 :               0.00002829884852
                   +1 :               0.00007516333695
                3s
                   +0 :               0.00015299487910
                4s
                   +0 :              -0.00022904584678
                3p
                   -1 :              -0.00123285477884
                   +0 :              -0.00028192789315
                   +1 :              -0.00048042246850
                4p
                   -1 :               0.00029668275976
                   +0 :              -0.00003583470674
                   +1 :               0.00031547789274
                3d
                   -2 :               0.00007162769286
                   -1 :              -0.00036107946279
                   +0 :               0.00009547497535
                   +1 :              -0.00010229542551
                   +2 :               0.00000751479212
              6 vec=     7.780163      7.244203      2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00034792325642
                2p
                   -1 :              -0.00007026537220
                   +0 :              -0.00009407207598
                   +1 :              -0.00010961690754
                3s
                   +0 :               0.00021991803814
                4s
                   +0 :              -0.00057609312455
                3p
                   -1 :              -0.00003880024759
                   +0 :               0.00032406865343
                   +1 :               0.00005508887980
                4p
                   -1 :               0.00001885528357
                   +0 :              -0.00012207504797
                   +1 :              -0.00014068342492
                3d
                   -2 :              -0.00017758577849
                   -1 :              -0.00003479318158
                   +0 :              -0.00032975307693
                   +1 :               0.00015297186687
                   +2 :              -0.00000040841703
              7 vec=     0.000000     11.736082      2.510641   |vec|=   12.001622
                2s
                   +0 :               0.00037264464718
                2p
                   -1 :               0.00028406225701
                   +0 :               0.00011756063613
                   +1 :              -0.00004901675467
                3s
                   +0 :              -0.00058314514254
                4s
                   +0 :               0.00065440645075
                3p
                   -1 :              -0.00132106271295
                   +0 :               0.00033731799611
                   +1 :               0.00046455938625
                4p
                   -1 :               0.00046387633736
                   +0 :               0.00006846766730
                   +1 :              -0.00025299759998
                3d
                   -2 :              -0.00037092750178
                   -1 :               0.00007800517205
                   +0 :               0.00038517421316
                   +1 :               0.00011853124535
                   +2 :               0.00014183092810
              8 vec=    -7.780163    -10.723313      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00003032871142
                2p
                   -1 :               0.00009153685196
                   +0 :               0.00011236231724
                   +1 :              -0.00018684139916
                3s
                   +0 :              -0.00124195529113
                4s
                   +0 :               0.00054995667914
                3p
                   -1 :              -0.00001450784790
                   +0 :              -0.00133881895277
                   +1 :               0.00184448412490
                4p
                   -1 :              -0.00009851030024
                   +0 :               0.00023118738649
                   +1 :              -0.00049773906717
                3d
                   -2 :              -0.00025343161703
                   -1 :               0.00020010917019
                   +0 :               0.00001695912910
                   +1 :               0.00012165607456
                   +2 :              -0.00021198087378
              9 vec=     7.780163    -10.723313      2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00015539969558
                2p
                   -1 :              -0.00005724184900
                   +0 :              -0.00005421555826
                   +1 :              -0.00019182360913
                3s
                   +0 :               0.00062264906189
                4s
                   +0 :              -0.00011722251172
                3p
                   -1 :              -0.00026536684089
                   +0 :              -0.00153999336647
                   +1 :              -0.00031409973603
                4p
                   -1 :              -0.00007283980833
                   +0 :               0.00008389348026
                   +1 :              -0.00023637026431
                3d
                   -2 :               0.00032469546099
                   -1 :               0.00021225465948
                   +0 :              -0.00021138429552
                   +1 :              -0.00015637167031
                   +2 :               0.00008460113792
             10 vec=     0.000000    -15.215192      2.510641   |vec|=   15.420940
                2s
                   +0 :               0.00011346156000
                2p
                   -1 :              -0.00002443348032
                   +0 :               0.00000590910995
                   +1 :              -0.00000418440007
                3s
                   +0 :              -0.00080465198518
                4s
                   +0 :               0.00014435354604
                3p
                   -1 :               0.00006949510794
                   +0 :              -0.00012185334178
                   +1 :              -0.00007168038209
                4p
                   -1 :               0.00000114802983
                   +0 :              -0.00000990145156
                   +1 :               0.00002676987970
                3d
                   -2 :              -0.00002862130543
                   -1 :               0.00003397538878
                   +0 :              -0.00005319672955
                   +1 :              -0.00006747900498
                   +2 :              -0.00002487338392
             11 vec=   -15.560325      2.752324      2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00000603867114
                2p
                   -1 :              -0.00000671660971
                   +0 :               0.00000605900041
                   +1 :               0.00003405432312
                3s
                   +0 :               0.00016847902789
                4s
                   +0 :              -0.00003889746680
                3p
                   -1 :               0.00005606561754
                   +0 :               0.00003722443576
                   +1 :              -0.00023137824151
                4p
                   -1 :              -0.00002067627536
                   +0 :              -0.00000177610754
                   +1 :               0.00005748065229
                3d
                   -2 :               0.00002116643283
                   -1 :               0.00002901787955
                   +0 :              -0.00000610041989
                   +1 :               0.00001320954868
                   +2 :               0.00005145861448
             12 vec=    15.560325      2.752324      2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00004009428497
                2p
                   -1 :              -0.00001345317000
                   +0 :              -0.00003986843292
                   +1 :               0.00004537174909
                3s
                   +0 :              -0.00015745611096
                4s
                   +0 :               0.00007120542578
                3p
                   -1 :              -0.00006586398552
                   +0 :               0.00029101047925
                   +1 :              -0.00012510932271
                4p
                   -1 :               0.00002378016253
                   +0 :              -0.00006916348033
                   +1 :               0.00003889496223
                3d
                   -2 :              -0.00002975404779
                   -1 :              -0.00006455075344
                   +0 :              -0.00002990200663
                   +1 :               0.00003423397056
                   +2 :              -0.00001966550924
             13 vec=   -15.560325     -6.231434      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00000329481524
                2p
                   -1 :               0.00000846413095
                   +0 :               0.00001347415395
                   +1 :              -0.00003317271554
                3s
                   +0 :              -0.00001860600022
                4s
                   +0 :               0.00002024993144
                3p
                   -1 :               0.00002181367822
                   +0 :              -0.00014449179623
                   +1 :               0.00018144081351
                4p
                   -1 :               0.00001178343947
                   +0 :               0.00001556719064
                   +1 :              -0.00005899934711
                3d
                   -2 :              -0.00001795376087
                   -1 :              -0.00002399672608
                   +0 :               0.00003044227390
                   +1 :               0.00001947486537
                   +2 :              -0.00000488512934
             14 vec=    15.560325     -6.231434      2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00009002564352
                2p
                   -1 :              -0.00000071513642
                   +0 :              -0.00000337276507
                   +1 :              -0.00003762508797
                3s
                   +0 :               0.00045955772780
                4s
                   +0 :              -0.00008205147317
                3p
                   -1 :              -0.00001719812129
                   +0 :              -0.00021941260308
                   +1 :               0.00033675133093
                4p
                   -1 :              -0.00001893470424
                   +0 :               0.00004076277455
                   +1 :              -0.00004564943868
                3d
                   -2 :              -0.00005016714534
                   -1 :               0.00000156169978
                   +0 :              -0.00002875221513
                   +1 :              -0.00004110825614
                   +2 :               0.00003385597194
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al(  9)  npairs=  14
              1 vec=    -2.593388     -1.739555     -1.580453   |vec|=    3.499934
                2s
                   +0 :              -0.02462771674172
                2p
                   -1 :               0.00705622389440
                   +0 :               0.01602783105693
                   +1 :               0.02417315245220
                3s
                   +0 :              -0.06515592320186
                4s
                   +0 :              -0.00742526559842
                3p
                   -1 :              -0.00044885599629
                   +0 :               0.02761935164994
                   +1 :               0.05197800656280
                4p
                   -1 :               0.00345476965068
                   +0 :               0.00809118027547
                   +1 :               0.01278006078651
                3d
                   -2 :              -0.01196426898911
                   -1 :              -0.00587194281529
                   +0 :              -0.00227982362179
                   +1 :              -0.03710609607115
                   +2 :              -0.03739858928308
              2 vec=     5.186775      2.752324     -1.580453   |vec|=    6.080769
                2s
                   +0 :              -0.00229137878286
                2p
                   -1 :              -0.00060280444913
                   +0 :              -0.00024195426798
                   +1 :              -0.00324777514420
                3s
                   +0 :               0.00783241533050
                4s
                   +0 :              -0.00342379833092
                3p
                   -1 :               0.00220592896441
                   +0 :               0.00288335653704
                   +1 :               0.00986511066395
                4p
                   -1 :              -0.00043602815319
                   +0 :              -0.00071931505536
                   +1 :              -0.00401032734832
                3d
                   -2 :               0.00110308617374
                   -1 :               0.00025933885370
                   +0 :              -0.00102427711388
                   +1 :               0.00003739519866
                   +2 :              -0.00325210682493
              3 vec=    -2.593388      7.244203     -1.580453   |vec|=    7.855060
                2s
                   +0 :              -0.00064323690565
                2p
                   -1 :              -0.00052880341261
                   +0 :               0.00012941764250
                   +1 :               0.00073926606775
                3s
                   +0 :               0.01783465602456
                4s
                   +0 :              -0.00050096436570
                3p
                   -1 :               0.00907973330326
                   +0 :              -0.01126673520900
                   +1 :               0.00249163667470
                4p
                   -1 :              -0.00001567871669
                   +0 :               0.00075399011317
                   +1 :               0.00071647551668
                3d
                   -2 :               0.00237587327736
                   -1 :              -0.00397462835990
                   +0 :               0.00162405910924
                   +1 :              -0.00046089722363
                   +2 :              -0.00201253374913
              4 vec=     5.186775     -6.231434     -1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00054337865507
                2p
                   -1 :               0.00093510232159
                   +0 :               0.00007188797860
                   +1 :               0.00028034761427
                3s
                   +0 :              -0.00835687824046
                4s
                   +0 :               0.00104964464193
                3p
                   -1 :              -0.00808491569178
                   +0 :               0.00253929338759
                   +1 :              -0.00649780566951
                4p
                   -1 :               0.00115545943614
                   +0 :              -0.00032769273041
                   +1 :               0.00035960747947
                3d
                   -2 :              -0.00214687631673
                   -1 :               0.00139583235097
                   +0 :               0.00037323064274
                   +1 :               0.00182588469161
                   +2 :              -0.00277419775991
              5 vec=   -10.373550      2.752324     -1.580453   |vec|=   10.848210
                2s
                   +0 :               0.00012375640381
                2p
                   -1 :               0.00002475190675
                   +0 :               0.00030698129030
                   +1 :              -0.00000675106719
                3s
                   +0 :               0.00082759523998
                4s
                   +0 :              -0.00018890820601
                3p
                   -1 :              -0.00018304988736
                   +0 :              -0.00126656971898
                   +1 :              -0.00056849351057
                4p
                   -1 :               0.00001843941715
                   +0 :               0.00015660472154
                   +1 :               0.00006453142439
                3d
                   -2 :               0.00004298360029
                   -1 :               0.00016161094182
                   +0 :               0.00013313055741
                   +1 :               0.00041841959345
                   +2 :               0.00001146154924
              6 vec=    -2.593388    -10.723313     -1.580453   |vec|=   11.145086
                2s
                   +0 :               0.00093483426670
                2p
                   -1 :              -0.00032983074031
                   +0 :              -0.00016709206981
                   +1 :               0.00014342921714
                3s
                   +0 :              -0.00626444552269
                4s
                   +0 :               0.00162408772816
                3p
                   -1 :               0.00291700393203
                   +0 :               0.00219646609933
                   +1 :              -0.00067961300146
                4p
                   -1 :              -0.00089467745666
                   +0 :              -0.00044810016503
                   +1 :               0.00034333934042
                3d
                   -2 :               0.00026260945531
                   -1 :              -0.00040642724685
                   +0 :              -0.00002392949629
                   +1 :              -0.00038960823863
                   +2 :               0.00027683362365
              7 vec=   -10.373550     -6.231434     -1.580453   |vec|=   12.204063
                2s
                   +0 :               0.00033178705139
                2p
                   -1 :              -0.00003630561915
                   +0 :              -0.00026249071967
                   +1 :              -0.00016081777553
                3s
                   +0 :              -0.00103419840498
                4s
                   +0 :               0.00020107212166
                3p
                   -1 :               0.00043644634782
                   +0 :               0.00131498394799
                   +1 :               0.00061414236408
                4p
                   -1 :              -0.00008545518124
                   +0 :              -0.00026047267350
                   +1 :              -0.00017682461392
                3d
                   -2 :              -0.00010590057771
                   -1 :              -0.00004660421700
                   +0 :               0.00008873135809
                   +1 :              -0.00015308147779
                   +2 :               0.00021360921666
              8 vec=     5.186775     11.736082     -1.580453   |vec|=   12.928112
                2s
                   +0 :              -0.00040839185144
                2p
                   -1 :               0.00012281729000
                   +0 :              -0.00007786987140
                   +1 :               0.00001425880380
                3s
                   +0 :               0.00230786823616
                4s
                   +0 :              -0.00037452394534
                3p
                   -1 :              -0.00007327768166
                   +0 :              -0.00045590000082
                   +1 :              -0.00106698922194
                4p
                   -1 :               0.00022456513410
                   +0 :               0.00008356357639
                   +1 :               0.00009104990301
                3d
                   -2 :              -0.00054902316457
                   -1 :              -0.00025994308305
                   +0 :               0.00002829076208
                   +1 :               0.00041436799769
                   +2 :               0.00017203301947
              9 vec=    12.966938     -1.739555     -1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00062585906829
                2p
                   -1 :               0.00001597216756
                   +0 :              -0.00016823327806
                   +1 :               0.00017928078482
                3s
                   +0 :              -0.00352681775851
                4s
                   +0 :               0.00037024258860
                3p
                   -1 :               0.00078470101965
                   +0 :               0.00171737023591
                   +1 :              -0.00114175218625
                4p
                   -1 :               0.00006563925329
                   +0 :              -0.00030940985924
                   +1 :               0.00001203612244
                3d
                   -2 :               0.00028139561745
                   -1 :              -0.00038166365857
                   +0 :              -0.00018827080281
                   +1 :               0.00049952903957
                   +2 :               0.00010470603308
             10 vec=    12.966938      7.244203     -1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00016534413906
                2p
                   -1 :              -0.00003296268956
                   +0 :               0.00000168598422
                   +1 :              -0.00006652614749
                3s
                   +0 :               0.00081421918243
                4s
                   +0 :              -0.00031763592985
                3p
                   -1 :               0.00019973400630
                   +0 :              -0.00015199994415
                   +1 :               0.00050168076341
                4p
                   -1 :              -0.00008862891458
                   +0 :               0.00003104944270
                   +1 :              -0.00017499541639
                3d
                   -2 :               0.00003590927186
                   -1 :               0.00009941633929
                   +0 :               0.00001245676665
                   +1 :              -0.00007944938282
                   +2 :               0.00001046333451
             11 vec=   -10.373550     11.736082     -1.580453   |vec|=   15.743062
                2s
                   +0 :              -0.00019561789582
                2p
                   -1 :              -0.00002902465546
                   +0 :               0.00007200444814
                   +1 :               0.00005117316768
                3s
                   +0 :               0.00100086179355
                4s
                   +0 :              -0.00026111785814
                3p
                   -1 :              -0.00003394245292
                   +0 :              -0.00052207713520
                   +1 :              -0.00040177096832
                4p
                   -1 :              -0.00000165107156
                   +0 :               0.00015365154442
                   +1 :               0.00010968453738
                3d
                   -2 :              -0.00003556583117
                   -1 :              -0.00002308021690
                   +0 :              -0.00007960775112
                   +1 :               0.00006471367973
                   +2 :               0.00005993932930
             12 vec=     5.186775    -15.215192     -1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00005488744605
                2p
                   -1 :               0.00001586482666
                   +0 :               0.00000322776305
                   +1 :              -0.00000216403726
                3s
                   +0 :              -0.00063793598512
                4s
                   +0 :               0.00004221781645
                3p
                   -1 :              -0.00010776338158
                   +0 :               0.00004039300887
                   +1 :              -0.00007297628621
                4p
                   -1 :               0.00008689103497
                   +0 :              -0.00002670460492
                   +1 :               0.00003916033898
                3d
                   -2 :               0.00003533198911
                   -1 :               0.00001914903230
                   +0 :              -0.00006524542811
                   +1 :               0.00006097702818
                   +2 :               0.00000129391039
             13 vec=    -2.593388     16.227961     -1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00013702909217
                2p
                   -1 :              -0.00001691619267
                   +0 :               0.00005039082388
                   +1 :              -0.00000809453856
                3s
                   +0 :               0.00091529975712
                4s
                   +0 :              -0.00015950420496
                3p
                   -1 :               0.00024010383611
                   +0 :              -0.00045068055807
                   +1 :               0.00004367539650
                4p
                   -1 :              -0.00003501892936
                   +0 :               0.00006941912522
                   +1 :               0.00000072556700
                3d
                   -2 :              -0.00000652061910
                   -1 :              -0.00012384539454
                   +0 :               0.00004044297952
                   +1 :              -0.00002833578702
                   +2 :               0.00000775611047
             14 vec=    12.966938    -10.723313     -1.580453   |vec|=   16.900555
                2s
                   +0 :               0.00006647077957
                2p
                   -1 :              -0.00001417238373
                   +0 :              -0.00001225952737
                   +1 :               0.00000892667095
                3s
                   +0 :              -0.00042187507847
                4s
                   +0 :               0.00011838531494
                3p
                   -1 :               0.00012184179460
                   +0 :               0.00016704895439
                   +1 :              -0.00007044877209
                4p
                   -1 :              -0.00000606359701
                   +0 :              -0.00000306756567
                   +1 :               0.00004913856596
                3d
                   -2 :               0.00000343052713
                   -1 :              -0.00003953006700
                   +0 :              -0.00005677902383
                   +1 :               0.00007424626704
                   +2 :               0.00002034096875
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al( 10)  npairs=  14
              1 vec=    -2.593388     -1.739555      5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00152395991632
                2p
                   -1 :               0.00057686244945
                   +0 :               0.00071490431814
                   +1 :              -0.00063963682932
                3s
                   +0 :              -0.00691760277935
                4s
                   +0 :               0.00085064706586
                3p
                   -1 :              -0.00631724695782
                   +0 :              -0.00546602626273
                   +1 :               0.00378768496795
                4p
                   -1 :               0.00124395646869
                   +0 :               0.00190274928504
                   +1 :               0.00016388766926
                3d
                   -2 :              -0.00033181945172
                   -1 :               0.00148167419978
                   +0 :              -0.00196402523060
                   +1 :               0.00035451014066
                   +2 :               0.00104193505624
              2 vec=     5.186775      2.752324      5.671873   |vec|=    8.163827
                2s
                   +0 :              -0.00009102973263
                2p
                   -1 :              -0.00091747326753
                   +0 :              -0.00088885380864
                   +1 :               0.00044731504619
                3s
                   +0 :              -0.00332032436225
                4s
                   +0 :               0.00030278832187
                3p
                   -1 :               0.00585603626905
                   +0 :               0.00445494712604
                   +1 :              -0.00589084955309
                4p
                   -1 :              -0.00177046891715
                   +0 :              -0.00124814694128
                   +1 :               0.00102036838768
                3d
                   -2 :               0.00086417883595
                   -1 :               0.00180349868933
                   +0 :               0.00045940844987
                   +1 :               0.00032356844934
                   +2 :              -0.00201328824582
              3 vec=    -2.593388      7.244203      5.671873   |vec|=    9.558990
                2s
                   +0 :               0.00037332205152
                2p
                   -1 :              -0.00074276188530
                   +0 :               0.00037660996904
                   +1 :              -0.00018650522753
                3s
                   +0 :               0.00045325613299
                4s
                   +0 :              -0.00031827267467
                3p
                   -1 :               0.00451982205938
                   +0 :              -0.00081031190112
                   +1 :               0.00109049146000
                4p
                   -1 :              -0.00130365806071
                   +0 :               0.00008390820119
                   +1 :              -0.00054823071685
                3d
                   -2 :              -0.00100206451045
                   -1 :               0.00065421987925
                   +0 :               0.00039513659799
                   +1 :               0.00032539645669
                   +2 :              -0.00039499817453
              4 vec=     5.186775     -6.231434      5.671873   |vec|=    9.894622
                2s
                   +0 :              -0.00223281490907
                2p
                   -1 :               0.00089871687721
                   +0 :              -0.00016568947726
                   +1 :               0.00019818228352
                3s
                   +0 :               0.01665421037664
                4s
                   +0 :              -0.00159581478769
                3p
                   -1 :              -0.01128887574732
                   +0 :               0.00135705028751
                   +1 :              -0.00290319047055
                4p
                   -1 :               0.00101615071947
                   +0 :               0.00002112211261
                   +1 :              -0.00007282817753
                3d
                   -2 :               0.00111154680356
                   -1 :              -0.00053547616805
                   +0 :              -0.00135747527199
                   +1 :              -0.00072418342544
                   +2 :              -0.00227849892969
              5 vec=   -10.373550      2.752324      5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00004469403474
                2p
                   -1 :               0.00001535534683
                   +0 :               0.00003141936050
                   +1 :              -0.00005757008692
                3s
                   +0 :              -0.00000333912620
                4s
                   +0 :               0.00008543953783
                3p
                   -1 :               0.00008273976604
                   +0 :               0.00033264684995
                   +1 :               0.00059347903279
                4p
                   -1 :              -0.00000400555050
                   +0 :              -0.00022412845688
                   +1 :              -0.00023583279193
                3d
                   -2 :              -0.00004013232741
                   -1 :               0.00013225473908
                   +0 :               0.00000036759249
                   +1 :              -0.00012642266740
                   +2 :              -0.00006887521500
              6 vec=    -2.593388    -10.723313      5.671873   |vec|=   12.405049
                2s
                   +0 :              -0.00007734199563
                2p
                   -1 :               0.00005309978906
                   +0 :               0.00000870657750
                   +1 :               0.00014629509325
                3s
                   +0 :              -0.00084325740825
                4s
                   +0 :              -0.00007277994627
                3p
                   -1 :               0.00042732607930
                   +0 :              -0.00072529419392
                   +1 :              -0.00108942229814
                4p
                   -1 :               0.00003094068691
                   +0 :               0.00014596001546
                   +1 :               0.00018125381167
                3d
                   -2 :               0.00015075481019
                   -1 :              -0.00006497363822
                   +0 :              -0.00007620587986
                   +1 :              -0.00020368556296
                   +2 :               0.00003048354856
              7 vec=   -10.373550     -6.231434      5.671873   |vec|=   13.364560
                2s
                   +0 :              -0.00002611808663
                2p
                   -1 :              -0.00001894081390
                   +0 :              -0.00002909009679
                   +1 :              -0.00009821888459
                3s
                   +0 :               0.00004940302900
                4s
                   +0 :               0.00000372756367
                3p
                   -1 :               0.00034182064267
                   +0 :              -0.00014229815049
                   +1 :               0.00064395995953
                4p
                   -1 :              -0.00006066415365
                   +0 :               0.00006771963459
                   +1 :              -0.00008369681598
                3d
                   -2 :              -0.00010326280209
                   -1 :              -0.00003610825455
                   +0 :              -0.00007597307192
                   +1 :               0.00019068750299
                   +2 :              -0.00038308769217
              8 vec=     5.186775     11.736082      5.671873   |vec|=   14.028842
                2s
                   +0 :               0.00075967528395
                2p
                   -1 :               0.00007797718502
                   +0 :               0.00010975742091
                   +1 :               0.00031716746730
                3s
                   +0 :              -0.00354884430922
                4s
                   +0 :               0.00032219928198
                3p
                   -1 :              -0.00025781480026
                   +0 :              -0.00055106432577
                   +1 :              -0.00201952475246
                4p
                   -1 :              -0.00015864463891
                   +0 :               0.00010634257310
                   +1 :               0.00017822562877
                3d
                   -2 :              -0.00013453190056
                   -1 :              -0.00002157809774
                   +0 :               0.00013656372636
                   +1 :              -0.00032644988206
                   +2 :              -0.00031789716034
              9 vec=    12.966938     -1.739555      5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00026852806034
                2p
                   -1 :               0.00000402444124
                   +0 :              -0.00011083955861
                   +1 :              -0.00002216344298
                3s
                   +0 :               0.00139499529003
                4s
                   +0 :              -0.00025712647404
                3p
                   -1 :               0.00031211480619
                   +0 :               0.00075727914981
                   +1 :               0.00023429208236
                4p
                   -1 :               0.00002910809895
                   +0 :              -0.00009150532813
                   +1 :              -0.00002935774266
                3d
                   -2 :              -0.00013237467958
                   -1 :               0.00004688807142
                   +0 :               0.00000210862462
                   +1 :               0.00011681845332
                   +2 :              -0.00014676735953
             10 vec=    12.966938      7.244203      5.671873   |vec|=   15.899374
                2s
                   +0 :               0.00004238232633
                2p
                   -1 :               0.00000406689466
                   +0 :              -0.00004724346649
                   +1 :               0.00001458545312
                3s
                   +0 :               0.00005588366216
                4s
                   +0 :               0.00004885890822
                3p
                   -1 :               0.00006119157080
                   +0 :               0.00032938054109
                   +1 :               0.00007245186662
                4p
                   -1 :               0.00000174593808
                   +0 :              -0.00010184067232
                   +1 :               0.00000702613811
                3d
                   -2 :               0.00001942175526
                   -1 :              -0.00001793491885
                   +0 :               0.00001582196378
                   +1 :               0.00005167614092
                   +2 :               0.00004620328133
             11 vec=   -10.373550     11.736082      5.671873   |vec|=   16.658821
                2s
                   +0 :               0.00008560330389
                2p
                   -1 :               0.00003352049605
                   +0 :               0.00005691050557
                   +1 :              -0.00005448197423
                3s
                   +0 :               0.00007399741814
                4s
                   +0 :               0.00004855128078
                3p
                   -1 :              -0.00007832175878
                   +0 :              -0.00021192723927
                   +1 :               0.00008834347363
                4p
                   -1 :               0.00004589491158
                   +0 :               0.00003611144935
                   +1 :              -0.00003056926187
                3d
                   -2 :               0.00001445804752
                   -1 :              -0.00006682962188
                   +0 :              -0.00000341697973
                   +1 :               0.00005104078304
                   +2 :              -0.00003136309767
             12 vec=     5.186775    -15.215192      5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00004779085231
                2p
                   -1 :               0.00004126822888
                   +0 :              -0.00001493001479
                   +1 :               0.00004205133445
                3s
                   +0 :               0.00012413335945
                4s
                   +0 :              -0.00009116604319
                3p
                   -1 :              -0.00025695049776
                   +0 :              -0.00002245600363
                   +1 :              -0.00026423568153
                4p
                   -1 :               0.00008706915203
                   +0 :               0.00001061432688
                   +1 :               0.00005126203610
                3d
                   -2 :               0.00005945711309
                   -1 :              -0.00003545011283
                   +0 :              -0.00002341558753
                   +1 :              -0.00001427773910
                   +2 :              -0.00004427146797
             13 vec=    -2.593388     16.227961      5.671873   |vec|=   17.385124
                2s
                   +0 :               0.00002349853069
                2p
                   -1 :              -0.00003483699505
                   +0 :               0.00003158803488
                   +1 :               0.00000364619788
                3s
                   +0 :              -0.00024895855429
                4s
                   +0 :              -0.00000193145151
                3p
                   -1 :               0.00022710208030
                   +0 :              -0.00009201287589
                   +1 :              -0.00011072163166
                4p
                   -1 :              -0.00004687680156
                   +0 :               0.00000612645599
                   +1 :               0.00001681941114
                3d
                   -2 :              -0.00000734405520
                   -1 :               0.00002793243790
                   +0 :               0.00005551401733
                   +1 :               0.00001936366260
                   +2 :              -0.00008677228511
             14 vec=    12.966938    -10.723313      5.671873   |vec|=   17.756719
                2s
                   +0 :              -0.00017672045394
                2p
                   -1 :               0.00003356049380
                   +0 :              -0.00000214780718
                   +1 :              -0.00003986201209
                3s
                   +0 :               0.00101425195507
                4s
                   +0 :              -0.00021383660830
                3p
                   -1 :              -0.00029861425728
                   +0 :              -0.00002176044315
                   +1 :               0.00038779151557
                4p
                   -1 :               0.00003881979601
                   +0 :              -0.00001603381460
                   +1 :              -0.00008176529754
                3d
                   -2 :              -0.00010632659396
                   -1 :              -0.00003798549604
                   +0 :              -0.00001976283710
                   +1 :              -0.00003232275300
                   +2 :               0.00002657858282
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al( 11)  npairs=  13
              1 vec=    -2.593388     -1.739555     -6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00229963428652
                2p
                   -1 :               0.00005831553331
                   +0 :              -0.00124712828805
                   +1 :              -0.00057755450367
                3s
                   +0 :              -0.00605163695133
                4s
                   +0 :               0.00294341329296
                3p
                   -1 :              -0.00738043532451
                   +0 :               0.00244069145215
                   +1 :               0.00562700817635
                4p
                   -1 :               0.00067245152289
                   +0 :              -0.00109488145782
                   +1 :              -0.00059037970853
                3d
                   -2 :               0.00051137553592
                   -1 :               0.00198835482133
                   +0 :               0.00024724418122
                   +1 :              -0.00068564370530
                   +2 :              -0.00095267165533
              2 vec=     5.186775      2.752324     -6.601898   |vec|=    8.835326
                2s
                   +0 :              -0.00032120853617
                2p
                   -1 :              -0.00050043453339
                   +0 :               0.00022132269246
                   +1 :               0.00060674826885
                3s
                   +0 :               0.00313296323991
                4s
                   +0 :               0.00116895351481
                3p
                   -1 :               0.00360308029468
                   +0 :              -0.00305665759061
                   +1 :              -0.00187809236985
                4p
                   -1 :              -0.00078424226139
                   +0 :              -0.00026720878241
                   +1 :               0.00190208073185
                3d
                   -2 :               0.00114513969800
                   -1 :              -0.00109167241330
                   +0 :               0.00040110620166
                   +1 :              -0.00056658242649
                   +2 :              -0.00130098757965
              3 vec=    -2.593388      7.244203     -6.601898   |vec|=   10.138500
                2s
                   +0 :              -0.00080675204167
                2p
                   -1 :              -0.00083488451375
                   +0 :              -0.00005670464350
                   +1 :              -0.00002940838742
                3s
                   +0 :               0.00568319286493
                4s
                   +0 :              -0.00253552499911
                3p
                   -1 :               0.00572736734326
                   +0 :              -0.00075229151830
                   +1 :               0.00028241204647
                4p
                   -1 :              -0.00189351861584
                   +0 :               0.00055623108848
                   +1 :               0.00030609289218
                3d
                   -2 :              -0.00036353802012
                   -1 :              -0.00061035320606
                   +0 :              -0.00004038291443
                   +1 :              -0.00028559363519
                   +2 :              -0.00079384528151
              4 vec=     5.186775     -6.231434     -6.601898   |vec|=   10.455547
                2s
                   +0 :               0.00134067737734
                2p
                   -1 :              -0.00018099373999
                   +0 :              -0.00037420224532
                   +1 :               0.00018726877585
                3s
                   +0 :              -0.00589792952300
                4s
                   +0 :               0.00142294124782
                3p
                   -1 :               0.00027075559328
                   +0 :               0.00178909999978
                   +1 :              -0.00165433569867
                4p
                   -1 :              -0.00016810994061
                   +0 :              -0.00041746567391
                   +1 :               0.00009611753051
                3d
                   -2 :              -0.00013306822093
                   -1 :               0.00021268434796
                   +0 :              -0.00032873533309
                   +1 :               0.00024361484134
                   +2 :               0.00024985627810
              5 vec=   -10.373550      2.752324     -6.601898   |vec|=   12.600432
                2s
                   +0 :               0.00036889988524
                2p
                   -1 :               0.00018498939610
                   +0 :              -0.00029549084816
                   +1 :              -0.00010117673782
                3s
                   +0 :              -0.00157033151713
                4s
                   +0 :               0.00077687530934
                3p
                   -1 :              -0.00108129184666
                   +0 :               0.00172164219013
                   +1 :               0.00079917877280
                4p
                   -1 :               0.00031584817563
                   +0 :              -0.00049609048036
                   +1 :              -0.00020096812501
                3d
                   -2 :               0.00006120200792
                   -1 :               0.00021059313519
                   +0 :              -0.00008312744498
                   +1 :              -0.00030491907396
                   +2 :              -0.00000009894701
              6 vec=    -2.593388    -10.723313     -6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00021554461969
                2p
                   -1 :               0.00007192592759
                   +0 :              -0.00001673577471
                   +1 :              -0.00001041594000
                3s
                   +0 :              -0.00207910280023
                4s
                   +0 :               0.00025109746620
                3p
                   -1 :               0.00004623456694
                   +0 :               0.00073475219565
                   +1 :               0.00012129044227
                4p
                   -1 :               0.00018918353845
                   +0 :              -0.00011060726358
                   +1 :              -0.00013861137970
                3d
                   -2 :              -0.00006054114591
                   -1 :              -0.00020654895695
                   +0 :              -0.00018148801714
                   +1 :               0.00004568384222
                   +2 :               0.00008268331322
              7 vec=   -10.373550     -6.231434     -6.601898   |vec|=   13.785005
                2s
                   +0 :               0.00001662409571
                2p
                   -1 :              -0.00005351499155
                   +0 :               0.00005447272795
                   +1 :              -0.00003617898411
                3s
                   +0 :              -0.00055661589447
                4s
                   +0 :               0.00033480681263
                3p
                   -1 :               0.00036520517403
                   +0 :              -0.00011008277648
                   +1 :               0.00059797531659
                4p
                   -1 :              -0.00012198666274
                   +0 :              -0.00004463368163
                   +1 :              -0.00028457563017
                3d
                   -2 :              -0.00006870893382
                   -1 :               0.00014542226579
                   +0 :              -0.00001042466573
                   +1 :              -0.00008716151081
                   +2 :              -0.00005593844548
              8 vec=     5.186775     11.736082     -6.601898   |vec|=   14.429945
                2s
                   +0 :              -0.00021648328145
                2p
                   -1 :              -0.00002392872471
                   +0 :               0.00015140121413
                   +1 :              -0.00002312555377
                3s
                   +0 :               0.00135477758930
                4s
                   +0 :              -0.00040191926125
                3p
                   -1 :               0.00036482370652
                   +0 :              -0.00087284519872
                   +1 :               0.00020798085850
                4p
                   -1 :              -0.00010756828188
                   +0 :               0.00017934836406
                   +1 :              -0.00013146054657
                3d
                   -2 :               0.00002670930102
                   -1 :              -0.00005169708069
                   +0 :               0.00003235142970
                   +1 :              -0.00004602801767
                   +2 :              -0.00000628472706
              9 vec=    12.966938     -1.739555     -6.601898   |vec|=   14.654439
                2s
                   +0 :               0.00002267780268
                2p
                   -1 :               0.00000515565178
                   +0 :              -0.00003103409838
                   +1 :               0.00000555698573
                3s
                   +0 :              -0.00029344676892
                4s
                   +0 :               0.00011156298780
                3p
                   -1 :               0.00003667846477
                   +0 :               0.00020491599118
                   +1 :              -0.00003214381990
                4p
                   -1 :              -0.00003129184753
                   +0 :              -0.00007909984607
                   +1 :               0.00001605046972
                3d
                   -2 :               0.00006064604381
                   -1 :               0.00006207010069
                   +0 :              -0.00013055942322
                   +1 :              -0.00001165883405
                   +2 :               0.00002193873124
             10 vec=    12.966938      7.244203     -6.601898   |vec|=   16.254384
                2s
                   +0 :              -0.00002040165847
                2p
                   -1 :              -0.00000839504664
                   +0 :               0.00004426271458
                   +1 :              -0.00000621500418
                3s
                   +0 :               0.00012916984918
                4s
                   +0 :               0.00000515022884
                3p
                   -1 :               0.00001736188743
                   +0 :              -0.00021896583439
                   +1 :               0.00001262780495
                4p
                   -1 :               0.00002146644506
                   +0 :               0.00003199213907
                   +1 :               0.00001002911746
                3d
                   -2 :               0.00000147580064
                   -1 :              -0.00004069437128
                   +0 :               0.00000443728163
                   +1 :              -0.00003641871819
                   +2 :              -0.00002983844233
             11 vec=   -10.373550     11.736082     -6.601898   |vec|=   16.997977
                2s
                   +0 :              -0.00006635969721
                2p
                   -1 :              -0.00000205193151
                   +0 :              -0.00000384289132
                   +1 :              -0.00001313140443
                3s
                   +0 :               0.00069216557653
                4s
                   +0 :              -0.00009516992138
                3p
                   -1 :               0.00007398723359
                   +0 :              -0.00016056623820
                   +1 :              -0.00006310983999
                4p
                   -1 :              -0.00000400770657
                   +0 :               0.00001492796599
                   +1 :              -0.00002773814933
                3d
                   -2 :              -0.00007820373732
                   -1 :              -0.00003345495301
                   +0 :               0.00002440101828
                   +1 :               0.00002933170558
                   +2 :              -0.00003601925708
             12 vec=     5.186775    -15.215192     -6.601898   |vec|=   17.377853
                2s
                   +0 :               0.00011676485422
                2p
                   -1 :              -0.00000328896031
                   +0 :              -0.00003129133004
                   +1 :              -0.00002210411140
                3s
                   +0 :              -0.00076915779176
                4s
                   +0 :               0.00014743133957
                3p
                   -1 :               0.00007947014542
                   +0 :               0.00024104593785
                   +1 :               0.00013400977145
                4p
                   -1 :              -0.00000018174605
                   +0 :              -0.00003388424380
                   +1 :              -0.00004651108188
                3d
                   -2 :              -0.00003526987226
                   -1 :              -0.00004549768302
                   +0 :              -0.00005553295452
                   +1 :              -0.00001212218252
                   +2 :               0.00002906566286
             13 vec=    -2.593388     16.227961     -6.601898   |vec|=   17.710376
                2s
                   +0 :              -0.00006198874467
                2p
                   -1 :              -0.00000703649927
                   +0 :              -0.00000941559265
                   +1 :              -0.00003704329490
                3s
                   +0 :               0.00041355346838
                4s
                   +0 :              -0.00010663379462
                3p
                   -1 :               0.00008952163753
                   +0 :               0.00002678007481
                   +1 :               0.00022724166252
                4p
                   -1 :              -0.00002175615849
                   +0 :               0.00000174349554
                   +1 :              -0.00006722275900
                3d
                   -2 :              -0.00000325529139
                   -1 :               0.00003658174170
                   +0 :               0.00003729607182
                   +1 :              -0.00002190813477
                   +2 :              -0.00000834908472
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site Al( 12)  npairs=  15
              1 vec=    -2.593388     -1.739555     10.693319   |vec|=   11.139963
                2s
                   +0 :              -0.00002231303558
                2p
                   -1 :               0.00019536752902
                   +0 :              -0.00004594755535
                   +1 :               0.00028767039353
                3s
                   +0 :              -0.00108914754813
                4s
                   +0 :               0.00017265848246
                3p
                   -1 :              -0.00155653684694
                   +0 :              -0.00015696101703
                   +1 :              -0.00110350009158
                4p
                   -1 :               0.00025444811754
                   +0 :              -0.00013600711267
                   +1 :               0.00032011106366
                3d
                   -2 :              -0.00020922397187
                   -1 :              -0.00016441868361
                   +0 :              -0.00007506646567
                   +1 :              -0.00017147049964
                   +2 :               0.00014926049383
              2 vec=     5.186775      2.752324     10.693319   |vec|=   12.199385
                2s
                   +0 :               0.00049288848922
                2p
                   -1 :              -0.00011112640191
                   +0 :               0.00014166723401
                   +1 :               0.00027889727842
                3s
                   +0 :              -0.00028531788386
                4s
                   +0 :               0.00014704660888
                3p
                   -1 :               0.00136393323581
                   +0 :               0.00051165746224
                   +1 :              -0.00139606153623
                4p
                   -1 :              -0.00010525423020
                   +0 :              -0.00011504177998
                   +1 :               0.00014427222442
                3d
                   -2 :               0.00016725405193
                   -1 :               0.00045722009250
                   +0 :               0.00041774857858
                   +1 :              -0.00023768361679
                   +2 :              -0.00012549026482
              3 vec=    -2.593388      7.244203     10.693319   |vec|=   13.173883
                2s
                   +0 :              -0.00034339779358
                2p
                   -1 :              -0.00008889884643
                   +0 :              -0.00014885477080
                   +1 :               0.00018471724277
                3s
                   +0 :               0.00117683440035
                4s
                   +0 :              -0.00023306709918
                3p
                   -1 :               0.00037710633409
                   +0 :               0.00093778987694
                   +1 :              -0.00102423910314
                4p
                   -1 :               0.00008275777404
                   +0 :              -0.00011780165808
                   +1 :               0.00028747298117
                3d
                   -2 :              -0.00018639963553
                   -1 :               0.00017879435514
                   +0 :              -0.00000524395892
                   +1 :              -0.00021488033791
                   +2 :               0.00001731232550
              4 vec=     5.186775     -6.231434     10.693319   |vec|=   13.419406
                2s
                   +0 :              -0.00030698969093
                2p
                   -1 :               0.00001570358864
                   +0 :              -0.00013865690569
                   +1 :               0.00003821840585
                3s
                   +0 :               0.00011726339543
                4s
                   +0 :              -0.00022815111620
                3p
                   -1 :               0.00052968494123
                   +0 :              -0.00055110063074
                   +1 :              -0.00166205584576
                4p
                   -1 :              -0.00017961471170
                   +0 :              -0.00003756540411
                   +1 :               0.00008008504149
                3d
                   -2 :               0.00038931608947
                   -1 :               0.00022501371674
                   +0 :              -0.00039720739921
                   +1 :              -0.00040345583997
                   +2 :               0.00027523706239
              5 vec=    -2.593388     -1.739555    -13.854224   |vec|=   14.201804
                2s
                   +0 :              -0.00011327834623
                2p
                   -1 :               0.00004230660835
                   +0 :               0.00004639556945
                   +1 :              -0.00001352669041
                3s
                   +0 :               0.00038415749990
                4s
                   +0 :              -0.00008885104411
                3p
                   -1 :              -0.00015993075124
                   +0 :              -0.00022866170156
                   +1 :               0.00015561481360
                4p
                   -1 :               0.00000301957051
                   +0 :               0.00005203755676
                   +1 :              -0.00006307322315
                3d
                   -2 :               0.00001383379096
                   -1 :               0.00000801815484
                   +0 :               0.00000550499968
                   +1 :              -0.00000549023491
                   +2 :               0.00000907639154
              6 vec=     5.186775      2.752324    -13.854224   |vec|=   15.047174
                2s
                   +0 :               0.00000110611440
                2p
                   -1 :               0.00001196397569
                   +0 :               0.00003887207058
                   +1 :               0.00006636429079
                3s
                   +0 :               0.00004199057678
                4s
                   +0 :              -0.00002866499090
                3p
                   -1 :              -0.00007314440931
                   +0 :              -0.00022599549972
                   +1 :              -0.00036527711664
                4p
                   -1 :              -0.00000581265612
                   +0 :               0.00006669626934
                   +1 :               0.00007206495178
                3d
                   -2 :              -0.00004266342285
                   -1 :               0.00000788338007
                   +0 :               0.00003496524212
                   +1 :              -0.00002404172451
                   +2 :              -0.00000604573490
              7 vec=   -10.373550      2.752324     10.693319   |vec|=   15.150343
                2s
                   +0 :              -0.00000937299362
                2p
                   -1 :              -0.00006603598516
                   +0 :              -0.00002230999031
                   +1 :               0.00004196435070
                3s
                   +0 :               0.00041134345409
                4s
                   +0 :              -0.00020878722508
                3p
                   -1 :               0.00023607989399
                   +0 :               0.00035898356120
                   +1 :              -0.00042392021172
                4p
                   -1 :              -0.00009961599404
                   +0 :              -0.00011854180708
                   +1 :               0.00012951598606
                3d
                   -2 :              -0.00005433005528
                   -1 :               0.00000458859173
                   +0 :               0.00010289973705
                   +1 :              -0.00008636330048
                   +2 :               0.00006841136633
              8 vec=    -2.593388    -10.723313     10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00003217565056
                2p
                   -1 :               0.00001293027029
                   +0 :              -0.00004386052655
                   +1 :              -0.00003406698969
                3s
                   +0 :              -0.00033795082797
                4s
                   +0 :               0.00006229516125
                3p
                   -1 :              -0.00002012079279
                   +0 :               0.00028291427370
                   +1 :               0.00037617705700
                4p
                   -1 :               0.00001878024091
                   +0 :              -0.00007018400654
                   +1 :              -0.00006998558331
                3d
                   -2 :              -0.00006299372789
                   -1 :              -0.00004417510863
                   +0 :               0.00000200376955
                   +1 :               0.00005320544378
                   +2 :              -0.00004748842406
              9 vec=    -2.593388      7.244203    -13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00003764478773
                2p
                   -1 :               0.00001177406878
                   +0 :              -0.00001316641807
                   +1 :              -0.00001854790447
                3s
                   +0 :               0.00012674922992
                4s
                   +0 :              -0.00002616315968
                3p
                   -1 :               0.00001696691214
                   +0 :              -0.00007082294828
                   +1 :               0.00004583479655
                4p
                   -1 :              -0.00002321750332
                   +0 :               0.00004614807944
                   +1 :              -0.00002827296779
                3d
                   -2 :              -0.00000779659253
                   -1 :              -0.00002819666097
                   +0 :               0.00002512880374
                   +1 :               0.00001804789283
                   +2 :               0.00005718425728
             10 vec=     5.186775     -6.231434    -13.854224   |vec|=   16.052194
                2s
                   +0 :               0.00003053270910
                2p
                   -1 :               0.00000610633207
                   +0 :              -0.00000690279174
                   +1 :               0.00000940362627
                3s
                   +0 :              -0.00017908131970
                4s
                   +0 :               0.00007379631008
                3p
                   -1 :              -0.00020351684075
                   +0 :               0.00008821152176
                   +1 :              -0.00003906132884
                4p
                   -1 :               0.00004073380905
                   +0 :              -0.00004486430985
                   +1 :              -0.00000129976227
                3d
                   -2 :               0.00001941389431
                   -1 :               0.00003723357447
                   +0 :              -0.00005171627102
                   +1 :               0.00003408919953
                   +2 :              -0.00000544866937
             11 vec=   -10.373550     -6.231434     10.693319   |vec|=   16.148943
                2s
                   +0 :              -0.00012096162959
                2p
                   -1 :               0.00004199880381
                   +0 :              -0.00002652152125
                   +1 :               0.00000979443987
                3s
                   +0 :               0.00015725555679
                4s
                   +0 :              -0.00007144769200
                3p
                   -1 :              -0.00003182590782
                   +0 :               0.00001316448409
                   +1 :               0.00012865526592
                4p
                   -1 :               0.00003245817771
                   +0 :              -0.00000712100241
                   +1 :              -0.00003988572289
                3d
                   -2 :               0.00004230766667
                   -1 :               0.00001089958634
                   +0 :              -0.00003887249019
                   +1 :               0.00004318349140
                   +2 :              -0.00006941769637
             12 vec=     5.186775     11.736082     10.693319   |vec|=   16.702854
                2s
                   +0 :               0.00014223856464
                2p
                   -1 :               0.00001542207303
                   +0 :               0.00008259395246
                   +1 :               0.00004148241861
                3s
                   +0 :              -0.00072493498086
                4s
                   +0 :               0.00025870460215
                3p
                   -1 :               0.00000570251133
                   +0 :              -0.00041752697444
                   +1 :              -0.00030025733575
                4p
                   -1 :               0.00004872480078
                   +0 :               0.00012352080285
                   +1 :               0.00007339143483
                3d
                   -2 :              -0.00003408442605
                   -1 :              -0.00002294094709
                   +0 :              -0.00005412133977
                   +1 :              -0.00006472481771
                   +2 :              -0.00004381732609
             13 vec=    12.966938     -1.739555     10.693319   |vec|=   16.897177
                2s
                   +0 :              -0.00012447458122
                2p
                   -1 :              -0.00001191977908
                   +0 :               0.00000536146435
                   +1 :              -0.00006492232085
                3s
                   +0 :               0.00076254256571
                4s
                   +0 :              -0.00019182570556
                3p
                   -1 :               0.00008923415287
                   +0 :              -0.00016169292478
                   +1 :               0.00055999864236
                4p
                   -1 :              -0.00003495191286
                   +0 :               0.00001803891941
                   +1 :              -0.00016382016596
                3d
                   -2 :              -0.00000586013847
                   -1 :              -0.00000127368219
                   +0 :               0.00006873666328
                   +1 :               0.00000582266838
                   +2 :               0.00004955421750
             14 vec=   -10.373550      2.752324    -13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00001746633399
                2p
                   -1 :               0.00002030306376
                   +0 :               0.00000155440456
                   +1 :              -0.00002842934019
                3s
                   +0 :               0.00041272617090
                4s
                   +0 :              -0.00001240122696
                3p
                   -1 :               0.00006416725027
                   +0 :              -0.00013495325764
                   +1 :              -0.00013070399335
                4p
                   -1 :               0.00002437604180
                   +0 :               0.00005455297008
                   +1 :              -0.00002245220105
                3d
                   -2 :              -0.00005503754286
                   -1 :              -0.00000711075773
                   +0 :              -0.00002487635003
                   +1 :              -0.00000138871682
                   +2 :               0.00004646767699
             15 vec=    -2.593388    -10.723313    -13.854224   |vec|=   17.710297
                2s
                   +0 :              -0.00001181649703
                2p
                   -1 :               0.00003636315092
                   +0 :               0.00001172068447
                   +1 :               0.00000400363567
                3s
                   +0 :              -0.00022302767096
                4s
                   +0 :               0.00003361916409
                3p
                   -1 :              -0.00005649100080
                   +0 :               0.00003270396938
                   +1 :               0.00002263964487
                4p
                   -1 :               0.00002251466140
                   +0 :              -0.00002267703557
                   +1 :               0.00001564068438
                3d
                   -2 :              -0.00001749723539
                   -1 :               0.00002794193497
                   +0 :               0.00001298441051
                   +1 :              -0.00001947184542
                   +2 :              -0.00000596640568
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 13)  npairs=  14
              1 vec=    -2.802933      1.376012      4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00127214898391
                2s
                   +0 :               0.00835113976368
                3s
                   +0 :               0.00399500956330
                2p
                   -1 :              -0.00306193697613
                   +0 :               0.01076560923534
                   +1 :              -0.00128434931327
                3p
                   -1 :              -0.00153469079077
                   +0 :              -0.00031746423924
                   +1 :              -0.00672193063944
                3d
                   -2 :               0.00019072690161
                   -1 :              -0.00024313232410
                   +0 :               0.00013162250730
                   +1 :              -0.00144153196592
                   +2 :               0.00078850912280
              2 vec=     4.977229     -3.115867      4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00184920625730
                2s
                   +0 :               0.00985695463086
                3s
                   +0 :              -0.00164810767500
                2p
                   -1 :               0.00233873034617
                   +0 :              -0.00020855492424
                   +1 :              -0.00465288292174
                3p
                   -1 :              -0.00454162674816
                   +0 :              -0.00003246552859
                   +1 :               0.00135116148943
                3d
                   -2 :              -0.00130138489974
                   -1 :              -0.00137561367468
                   +0 :               0.00057064866125
                   +1 :               0.00086057305476
                   +2 :              -0.00039957162853
              3 vec=     4.977229      5.867891      4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00010187453690
                2s
                   +0 :              -0.00014915640361
                3s
                   +0 :              -0.00048033129301
                2p
                   -1 :              -0.00254733549966
                   +0 :               0.00289990881231
                   +1 :               0.00135737542435
                3p
                   -1 :               0.00096340461446
                   +0 :              -0.00067008438647
                   +1 :              -0.00092173162656
                3d
                   -2 :              -0.00001926527134
                   -1 :              -0.00001639826776
                   +0 :               0.00020659108943
                   +1 :               0.00011827786366
                   +2 :              -0.00004730231623
              4 vec=    -2.802933     -7.607746      4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00028166034030
                2s
                   +0 :              -0.00210472770176
                3s
                   +0 :              -0.00001823530710
                2p
                   -1 :               0.00108282897979
                   +0 :              -0.00075947410683
                   +1 :              -0.00074601934384
                3p
                   -1 :              -0.00027014471776
                   +0 :              -0.00021022721506
                   +1 :               0.00095722321123
                3d
                   -2 :              -0.00011950337659
                   -1 :              -0.00001083492187
                   +0 :              -0.00003087070888
                   +1 :              -0.00011439758208
                   +2 :               0.00012647525394
              5 vec=    -2.802933     10.359770      4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00018607523568
                2s
                   +0 :              -0.00061294962211
                3s
                   +0 :               0.00091394781606
                2p
                   -1 :              -0.00073849420252
                   +0 :               0.00070287628938
                   +1 :               0.00127942207577
                3p
                   -1 :               0.00145101456922
                   +0 :               0.00018235267016
                   +1 :              -0.00096268381051
                3d
                   -2 :              -0.00004527728451
                   -1 :               0.00002207179461
                   +0 :               0.00002688134893
                   +1 :               0.00006772921317
                   +2 :              -0.00002980713848
              6 vec=   -10.583096     -3.115867      4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00007679848828
                2s
                   +0 :              -0.00044497075217
                3s
                   +0 :               0.00003241049666
                2p
                   -1 :               0.00006899566454
                   +0 :              -0.00014612809814
                   +1 :               0.00011776835672
                3p
                   -1 :              -0.00025397739679
                   +0 :               0.00017039557989
                   +1 :               0.00020287978033
                3d
                   -2 :              -0.00000427525084
                   -1 :              -0.00000592851874
                   +0 :               0.00003264476796
                   +1 :               0.00000032643183
                   +2 :              -0.00007381014588
              7 vec=   -10.583096      5.867891      4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00005594515706
                2s
                   +0 :               0.00068456711258
                3s
                   +0 :              -0.00009141434417
                2p
                   -1 :              -0.00029182204604
                   +0 :              -0.00019596174231
                   +1 :               0.00054204585323
                3p
                   -1 :               0.00027819307566
                   +0 :               0.00035900777618
                   +1 :              -0.00073770329149
                3d
                   -2 :              -0.00000081075697
                   -1 :               0.00000771047425
                   +0 :               0.00001921126939
                   +1 :              -0.00000794909637
                   +2 :               0.00001380936118
              8 vec=    12.757392      1.376012      4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00009585909392
                2s
                   +0 :              -0.00064171325869
                3s
                   +0 :               0.00012799387547
                2p
                   -1 :               0.00070593609873
                   +0 :              -0.00027816918916
                   +1 :              -0.00043772109794
                3p
                   -1 :              -0.00061216504766
                   +0 :              -0.00015369473794
                   +1 :               0.00015312441449
                3d
                   -2 :              -0.00004808251147
                   -1 :              -0.00003857724108
                   +0 :              -0.00000730010944
                   +1 :              -0.00006284899964
                   +2 :              -0.00001330768114
              9 vec=     4.977229    -12.099625      4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00003067171743
                2s
                   +0 :              -0.00015586784868
                3s
                   +0 :              -0.00012687178553
                2p
                   -1 :               0.00030208751209
                   +0 :               0.00014279275668
                   +1 :              -0.00062905311179
                3p
                   -1 :              -0.00016023745922
                   +0 :              -0.00015368734157
                   +1 :               0.00042576579474
                3d
                   -2 :              -0.00000686378275
                   -1 :              -0.00001355754614
                   +0 :              -0.00002121936278
                   +1 :               0.00002342586707
                   +2 :               0.00004437120011
             10 vec=    12.757392     -7.607746      4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00004977968326
                2s
                   +0 :               0.00046810044366
                3s
                   +0 :              -0.00000202577011
                2p
                   -1 :               0.00028907165946
                   +0 :               0.00000803022194
                   +1 :              -0.00007430784688
                3p
                   -1 :              -0.00020634976453
                   +0 :              -0.00000974433716
                   +1 :               0.00019947580104
                3d
                   -2 :               0.00001457794467
                   -1 :               0.00000059326371
                   +0 :              -0.00001219579488
                   +1 :               0.00002664669754
                   +2 :              -0.00000107291205
             11 vec=     4.977229     14.851649      4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00006376608485
                2s
                   +0 :              -0.00057852641801
                3s
                   +0 :               0.00014372400067
                2p
                   -1 :              -0.00076652901924
                   +0 :               0.00041883955770
                   +1 :              -0.00009553953543
                3p
                   -1 :               0.00040178018731
                   +0 :              -0.00013367022735
                   +1 :               0.00009012664753
                3d
                   -2 :              -0.00000693540171
                   -1 :               0.00000555377484
                   +0 :               0.00000911793167
                   +1 :               0.00001117874408
                   +2 :              -0.00000198141795
             12 vec=   -10.583096    -12.099625      4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00003424778632
                2s
                   +0 :               0.00017330057116
                3s
                   +0 :              -0.00003618765582
                2p
                   -1 :              -0.00023816503538
                   +0 :               0.00011865807556
                   +1 :              -0.00029280782262
                3p
                   -1 :               0.00007500749249
                   +0 :              -0.00018098967398
                   +1 :               0.00022134820685
                3d
                   -2 :               0.00000456579536
                   -1 :               0.00000350826426
                   +0 :              -0.00000351485284
                   +1 :              -0.00000178873757
                   +2 :               0.00000049970478
             13 vec=    12.757392     10.359770      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00001714551155
                2s
                   +0 :               0.00011936702205
                3s
                   +0 :              -0.00004879571537
                2p
                   -1 :               0.00007047511004
                   +0 :               0.00002519071573
                   +1 :               0.00007789259684
                3p
                   -1 :               0.00002029633057
                   +0 :               0.00001947054132
                   +1 :              -0.00005716861494
                3d
                   -2 :               0.00001113379091
                   -1 :               0.00000417294566
                   +0 :               0.00000500190501
                   +1 :               0.00000133686936
                   +2 :              -0.00000316430957
             14 vec=    -2.802933    -16.591504      4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00002938998580
                2s
                   +0 :              -0.00034044241751
                3s
                   +0 :               0.00002502815110
                2p
                   -1 :               0.00021270295745
                   +0 :              -0.00014469931625
                   +1 :               0.00002828186162
                3p
                   -1 :              -0.00010834230044
                   +0 :               0.00005710674909
                   +1 :              -0.00002015138491
                3d
                   -2 :              -0.00000518045254
                   -1 :              -0.00000537097317
                   +0 :              -0.00000542875230
                   +1 :              -0.00000511069107
                   +2 :               0.00000068481290
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 14)  npairs=  14
              1 vec=     0.209546     -3.115867      4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00249734211748
                2s
                   +0 :              -0.04085628311645
                3s
                   +0 :               0.00363451755193
                2p
                   -1 :               0.01151055002825
                   +0 :              -0.01625966183427
                   +1 :               0.00121321302200
                3p
                   -1 :              -0.00275217435833
                   +0 :              -0.00126443712154
                   +1 :              -0.00218026343760
                3d
                   -2 :               0.00005972473645
                   -1 :               0.00177700097724
                   +0 :              -0.00116860195290
                   +1 :               0.00020391939054
                   +2 :              -0.00009007428049
              2 vec=     0.209546      5.867891      4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00194029042725
                2s
                   +0 :               0.01288296648486
                3s
                   +0 :              -0.00616253109336
                2p
                   -1 :               0.01110295014332
                   +0 :               0.00036411943797
                   +1 :              -0.00043305398941
                3p
                   -1 :              -0.00817689492176
                   +0 :               0.00133024672962
                   +1 :               0.00130953428803
                3d
                   -2 :               0.00007150120226
                   -1 :              -0.00025262530575
                   +0 :               0.00051533480295
                   +1 :              -0.00023145683345
                   +2 :               0.00066252068813
              3 vec=    -7.570617      1.376012      4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00040012604613
                2s
                   +0 :               0.00215577747771
                3s
                   +0 :              -0.00098584730431
                2p
                   -1 :              -0.00090703566126
                   +0 :              -0.00130585674214
                   +1 :              -0.00222197942976
                3p
                   -1 :               0.00023214411274
                   +0 :               0.00058047890891
                   +1 :               0.00094454874309
                3d
                   -2 :               0.00014493913201
                   -1 :              -0.00012528191457
                   +0 :              -0.00013902680879
                   +1 :               0.00004164803705
                   +2 :               0.00015280367261
              4 vec=     7.989708      1.376012      4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00017180487424
                2s
                   +0 :               0.00078640117428
                3s
                   +0 :              -0.00058939586740
                2p
                   -1 :              -0.00000311953442
                   +0 :              -0.00108261048166
                   +1 :               0.00405224475639
                3p
                   -1 :               0.00027165835802
                   +0 :               0.00049081499523
                   +1 :              -0.00298521747506
                3d
                   -2 :               0.00001380246307
                   -1 :               0.00000968038551
                   +0 :              -0.00002689954374
                   +1 :              -0.00000615743527
                   +2 :              -0.00012695291152
              5 vec=    -7.570617     -7.607746      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00013207372218
                2s
                   +0 :              -0.00048645582324
                3s
                   +0 :               0.00060314413631
                2p
                   -1 :               0.00035091552359
                   +0 :               0.00050253477324
                   +1 :               0.00077518735977
                3p
                   -1 :              -0.00069431691160
                   +0 :              -0.00042173053320
                   +1 :              -0.00042951659434
                3d
                   -2 :               0.00015860481704
                   -1 :              -0.00008810021508
                   +0 :              -0.00000642273514
                   +1 :              -0.00001850932777
                   +2 :              -0.00003736653802
              6 vec=     7.989708     -7.607746      4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00026683858032
                2s
                   +0 :               0.00331546212817
                3s
                   +0 :              -0.00030148123139
                2p
                   -1 :              -0.00195245318142
                   +0 :              -0.00121589122002
                   +1 :               0.00189444624384
                3p
                   -1 :               0.00041845810021
                   +0 :               0.00018012263314
                   +1 :              -0.00059432870934
                3d
                   -2 :              -0.00008779262148
                   -1 :               0.00002789070063
                   +0 :              -0.00008238456008
                   +1 :              -0.00005671360089
                   +2 :              -0.00009247552333
              7 vec=     0.209546    -12.099625      4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00009544000427
                2s
                   +0 :              -0.00124230281005
                3s
                   +0 :               0.00017657686965
                2p
                   -1 :               0.00031389433238
                   +0 :              -0.00034841408574
                   +1 :               0.00041273818984
                3p
                   -1 :              -0.00000786599458
                   +0 :              -0.00000895656221
                   +1 :              -0.00052641024777
                3d
                   -2 :               0.00004954366593
                   -1 :               0.00003136110004
                   +0 :              -0.00002188102692
                   +1 :              -0.00004541163505
                   +2 :               0.00002809629800
              8 vec=    -7.570617     10.359770      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00011544037093
                2s
                   +0 :               0.00123959479946
                3s
                   +0 :              -0.00016277175827
                2p
                   -1 :               0.00027008419716
                   +0 :               0.00073657636565
                   +1 :              -0.00074301558259
                3p
                   -1 :              -0.00017838717189
                   +0 :              -0.00021262250826
                   +1 :               0.00047851703854
                3d
                   -2 :              -0.00001202596668
                   -1 :              -0.00000498506860
                   +0 :               0.00001574430170
                   +1 :              -0.00003023306638
                   +2 :              -0.00001939432771
              9 vec=     7.989708     10.359770      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00002087851009
                2s
                   +0 :               0.00003579897626
                3s
                   +0 :              -0.00003994080105
                2p
                   -1 :              -0.00004249010286
                   +0 :               0.00029106349699
                   +1 :              -0.00033528974330
                3p
                   -1 :              -0.00002904779623
                   +0 :               0.00005505762234
                   +1 :               0.00012645221694
                3d
                   -2 :              -0.00002368790571
                   -1 :              -0.00003061274660
                   +0 :               0.00001384403211
                   +1 :               0.00001389872570
                   +2 :               0.00001073646935
             10 vec=     0.209546     14.851649      4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00003156460252
                2s
                   +0 :               0.00022851936414
                3s
                   +0 :              -0.00012036054660
                2p
                   -1 :               0.00020226114269
                   +0 :               0.00023897129152
                   +1 :               0.00012516802061
                3p
                   -1 :              -0.00013808129277
                   +0 :              -0.00005035478067
                   +1 :               0.00003258197363
                3d
                   -2 :               0.00000585025060
                   -1 :               0.00000839030149
                   +0 :               0.00001023613304
                   +1 :              -0.00002067302872
                   +2 :              -0.00001139415070
             11 vec=   -15.350780     -3.115867      4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00003357170032
                2s
                   +0 :              -0.00028969328015
                3s
                   +0 :               0.00016680648253
                2p
                   -1 :               0.00010933244260
                   +0 :              -0.00003397445314
                   +1 :               0.00029151216747
                3p
                   -1 :              -0.00010584437354
                   +0 :               0.00006462032195
                   +1 :              -0.00023202301226
                3d
                   -2 :               0.00002277661761
                   -1 :              -0.00001446375881
                   +0 :               0.00000767519785
                   +1 :              -0.00003234507946
                   +2 :               0.00001058022667
             12 vec=    15.769871     -3.115867      4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00006227928777
                2s
                   +0 :               0.00058166979792
                3s
                   +0 :              -0.00015773443818
                2p
                   -1 :               0.00010662249852
                   +0 :              -0.00016382203964
                   +1 :               0.00041575122694
                3p
                   -1 :               0.00005113074190
                   +0 :              -0.00002175944295
                   +1 :              -0.00018440015414
                3d
                   -2 :               0.00001330619120
                   -1 :               0.00000193864746
                   +0 :               0.00000147408059
                   +1 :               0.00000106829796
                   +2 :               0.00001035889250
             13 vec=   -15.350780      5.867891      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00002757977811
                2s
                   +0 :               0.00014749187691
                3s
                   +0 :              -0.00009502852996
                2p
                   -1 :               0.00000498728540
                   +0 :              -0.00017397865560
                   +1 :              -0.00018642015370
                3p
                   -1 :               0.00002780216350
                   +0 :               0.00007734401522
                   +1 :               0.00016586554063
                3d
                   -2 :              -0.00000925715274
                   -1 :               0.00000201267147
                   +0 :              -0.00000110812819
                   +1 :               0.00000282338062
                   +2 :              -0.00000874859950
             14 vec=    15.769871      5.867891      4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00000566202525
                2s
                   +0 :              -0.00001842099186
                3s
                   +0 :               0.00003412044758
                2p
                   -1 :              -0.00009585810911
                   +0 :               0.00002177191204
                   +1 :               0.00007459973791
                3p
                   -1 :               0.00006767520622
                   +0 :              -0.00001785638449
                   +1 :              -0.00002146673856
                3d
                   -2 :               0.00000650861983
                   -1 :               0.00000180444200
                   +0 :              -0.00000476903179
                   +1 :              -0.00000045039907
                   +2 :              -0.00000147776122
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 15)  npairs=  14
              1 vec=     2.593388      1.013068      4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00126149542055
                2s
                   +0 :               0.00632139730630
                3s
                   +0 :               0.00202610700625
                2p
                   -1 :              -0.00482356943120
                   +0 :               0.01132786798263
                   +1 :               0.00195046380430
                3p
                   -1 :               0.00093919981690
                   +0 :              -0.00282372179001
                   +1 :               0.00514122266147
                3d
                   -2 :              -0.00075940813136
                   -1 :              -0.00205774065435
                   +0 :              -0.00100227594244
                   +1 :               0.00037443612016
                   +2 :               0.00141308933191
              2 vec=    -5.186775     -3.478811      4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00014397434267
                2s
                   +0 :              -0.00227522270666
                3s
                   +0 :              -0.00012493646639
                2p
                   -1 :              -0.00183369657807
                   +0 :               0.00240449335602
                   +1 :               0.00520332293719
                3p
                   -1 :               0.00199693509167
                   +0 :              -0.00307447481047
                   +1 :              -0.00223832655232
                3d
                   -2 :               0.00022001745177
                   -1 :              -0.00017650420575
                   +0 :              -0.00021323313421
                   +1 :              -0.00003661254559
                   +2 :               0.00001532875035
              3 vec=    -5.186775      5.504947      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00033529260396
                2s
                   +0 :               0.00243314144037
                3s
                   +0 :              -0.00055401951588
                2p
                   -1 :               0.00146402571679
                   +0 :               0.00178829934811
                   +1 :              -0.00148236278246
                3p
                   -1 :              -0.00124086791628
                   +0 :               0.00038795532127
                   +1 :               0.00001471243076
                3d
                   -2 :               0.00002236092990
                   -1 :              -0.00031259342407
                   +0 :               0.00016655784451
                   +1 :              -0.00019285921798
                   +2 :               0.00003337116969
              4 vec=     2.593388     -7.970690      4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00039907127542
                2s
                   +0 :              -0.00219645417342
                3s
                   +0 :               0.00070451056421
                2p
                   -1 :               0.00066699469331
                   +0 :              -0.00207848107559
                   +1 :              -0.00217651768343
                3p
                   -1 :               0.00000295101798
                   +0 :               0.00055969489028
                   +1 :               0.00061774367699
                3d
                   -2 :               0.00001962444119
                   -1 :              -0.00003489916662
                   +0 :              -0.00007024931901
                   +1 :               0.00018229110525
                   +2 :              -0.00000558343067
              5 vec=     2.593388      9.996826      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00033371275316
                2s
                   +0 :              -0.00304762911965
                3s
                   +0 :               0.00055838297097
                2p
                   -1 :               0.00120253813463
                   +0 :               0.00084124629689
                   +1 :               0.00070031785851
                3p
                   -1 :              -0.00112686659084
                   +0 :              -0.00048903668702
                   +1 :              -0.00104549159416
                3d
                   -2 :              -0.00019163627755
                   -1 :              -0.00016088972490
                   +0 :               0.00016502114688
                   +1 :              -0.00005919114344
                   +2 :               0.00016615205191
              6 vec=    10.373550     -3.478811      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00008622649077
                2s
                   +0 :               0.00101699946434
                3s
                   +0 :               0.00017585383941
                2p
                   -1 :              -0.00011143500970
                   +0 :              -0.00039041748087
                   +1 :               0.00006147648790
                3p
                   -1 :               0.00032797694069
                   +0 :              -0.00021674390440
                   +1 :               0.00054741664766
                3d
                   -2 :               0.00007485179363
                   -1 :              -0.00000100223078
                   +0 :              -0.00004051806161
                   +1 :              -0.00014381314562
                   +2 :               0.00005688304654
              7 vec=    10.373550      5.504947      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00002660168551
                2s
                   +0 :               0.00050085824172
                3s
                   +0 :               0.00000080275130
                2p
                   -1 :               0.00016887094489
                   +0 :               0.00057903609090
                   +1 :              -0.00007199204232
                3p
                   -1 :               0.00014855964328
                   +0 :              -0.00027036947348
                   +1 :               0.00001351596743
                3d
                   -2 :               0.00002328623800
                   -1 :              -0.00000534553110
                   +0 :              -0.00003097199279
                   +1 :              -0.00002253848195
                   +2 :              -0.00000921056726
              8 vec=   -12.966938      1.013068      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00002465321892
                2s
                   +0 :               0.00020082943150
                3s
                   +0 :              -0.00005912350956
                2p
                   -1 :              -0.00036306407797
                   +0 :               0.00001805394428
                   +1 :              -0.00021986113854
                3p
                   -1 :               0.00021555302531
                   +0 :               0.00001185936636
                   +1 :               0.00009024557986
                3d
                   -2 :               0.00000985871862
                   -1 :              -0.00001231654387
                   +0 :               0.00000556802078
                   +1 :              -0.00000106193266
                   +2 :               0.00000901741868
              9 vec=    -5.186775    -12.462569      4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00015898849509
                2s
                   +0 :              -0.00141953511918
                3s
                   +0 :               0.00030374947806
                2p
                   -1 :               0.00073520492503
                   +0 :              -0.00026677364814
                   +1 :               0.00028026876616
                3p
                   -1 :              -0.00031556772112
                   +0 :               0.00004874601233
                   +1 :               0.00004764511447
                3d
                   -2 :              -0.00001905348885
                   -1 :              -0.00000772279164
                   +0 :               0.00000417087415
                   +1 :               0.00003476398412
                   +2 :              -0.00002535533133
             10 vec=   -12.966938     -7.970690      4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00001251359176
                2s
                   +0 :               0.00006329863315
                3s
                   +0 :              -0.00000461100493
                2p
                   -1 :              -0.00012561750181
                   +0 :              -0.00022966485454
                   +1 :              -0.00010123498001
                3p
                   -1 :               0.00010004434436
                   +0 :               0.00014575427180
                   +1 :               0.00002893817219
                3d
                   -2 :              -0.00001779457326
                   -1 :               0.00000535994123
                   +0 :              -0.00000926662622
                   +1 :              -0.00000156477878
                   +2 :               0.00000241895583
             11 vec=    -5.186775     14.488705      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00003536207932
                2s
                   +0 :               0.00013403450414
                3s
                   +0 :              -0.00016158699317
                2p
                   -1 :               0.00012217692554
                   +0 :              -0.00023067911372
                   +1 :               0.00022395362197
                3p
                   -1 :              -0.00015142506351
                   +0 :               0.00006378450331
                   +1 :              -0.00008984940345
                3d
                   -2 :               0.00001070762568
                   -1 :              -0.00004282189938
                   +0 :              -0.00001484491438
                   +1 :               0.00001152310543
                   +2 :               0.00003724804945
             12 vec=    10.373550    -12.462569      4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00007049817875
                2s
                   +0 :               0.00076669810394
                3s
                   +0 :              -0.00008539852580
                2p
                   -1 :              -0.00055098546467
                   +0 :              -0.00023491116077
                   +1 :               0.00014274416788
                3p
                   -1 :              -0.00000031247907
                   +0 :               0.00002229264103
                   +1 :               0.00001792061178
                3d
                   -2 :              -0.00003361071892
                   -1 :              -0.00002374383054
                   +0 :              -0.00002281750713
                   +1 :              -0.00001207917608
                   +2 :              -0.00002441625254
             13 vec=   -12.966938      9.996826      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00004705641884
                2s
                   +0 :               0.00040699186343
                3s
                   +0 :              -0.00009702084681
                2p
                   -1 :               0.00029571439885
                   +0 :               0.00003434314384
                   +1 :              -0.00003112088887
                3p
                   -1 :              -0.00019182429016
                   +0 :               0.00006275046965
                   +1 :              -0.00005903146874
                3d
                   -2 :               0.00000251025276
                   -1 :               0.00001240822522
                   +0 :               0.00000605108719
                   +1 :              -0.00000880268023
                   +2 :               0.00002270784112
             14 vec=     2.593388    -16.954448      4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00004149738208
                2s
                   +0 :              -0.00035228748871
                3s
                   +0 :               0.00008374119948
                2p
                   -1 :               0.00003565839734
                   +0 :              -0.00002909533186
                   +1 :              -0.00006268745646
                3p
                   -1 :               0.00005607903275
                   +0 :              -0.00003847703693
                   +1 :               0.00001459613183
                3d
                   -2 :              -0.00000407200488
                   -1 :               0.00000099431809
                   +0 :              -0.00000295888337
                   +1 :               0.00000709623648
                   +2 :              -0.00000424438183
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 16)  npairs=  14
              1 vec=     0.209546     -0.363243     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00003151265309
                2s
                   +0 :               0.00020861284107
                3s
                   +0 :              -0.00018415513689
                2p
                   -1 :              -0.00280677145356
                   +0 :               0.00135190212776
                   +1 :              -0.00123812017304
                3p
                   -1 :               0.00102524323348
                   +0 :              -0.00072582494659
                   +1 :               0.00153658214302
                3d
                   -2 :               0.00000733836722
                   -1 :              -0.00005267293960
                   +0 :               0.00000710887975
                   +1 :              -0.00010805966261
                   +2 :               0.00010638104716
              2 vec=     0.209546      8.620515     -8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00009128675932
                2s
                   +0 :              -0.00026592482256
                3s
                   +0 :               0.00031576066746
                2p
                   -1 :               0.00165918740530
                   +0 :               0.00056272197437
                   +1 :               0.00003449357202
                3p
                   -1 :              -0.00145806271819
                   +0 :              -0.00043455471923
                   +1 :               0.00002709312608
                3d
                   -2 :              -0.00000912027170
                   -1 :               0.00007572330256
                   +0 :               0.00004084201306
                   +1 :               0.00007217327588
                   +2 :               0.00009556112990
              3 vec=    -7.570617      4.128636     -8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00004000095986
                2s
                   +0 :               0.00025926057303
                3s
                   +0 :               0.00036334388341
                2p
                   -1 :              -0.00034863524217
                   +0 :              -0.00032197253978
                   +1 :              -0.00000763885372
                3p
                   -1 :               0.00007051086920
                   +0 :              -0.00022496237620
                   +1 :              -0.00041914065688
                3d
                   -2 :               0.00003872393838
                   -1 :               0.00005295506110
                   +0 :              -0.00001091211363
                   +1 :               0.00006240348894
                   +2 :               0.00004655865756
              4 vec=     7.989708      4.128636     -8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00004153274803
                2s
                   +0 :               0.00036374478033
                3s
                   +0 :              -0.00005722574474
                2p
                   -1 :               0.00021629745849
                   +0 :              -0.00016839099721
                   +1 :               0.00052869770732
                3p
                   -1 :              -0.00046973537348
                   +0 :               0.00000378893667
                   +1 :              -0.00015051203748
                3d
                   -2 :              -0.00000694474151
                   -1 :               0.00003312856298
                   +0 :               0.00000560920554
                   +1 :              -0.00000694852101
                   +2 :               0.00007218818438
              5 vec=    -7.570617     -4.855122     -8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00019598122968
                2s
                   +0 :               0.00105071837497
                3s
                   +0 :              -0.00074820649723
                2p
                   -1 :              -0.00017343455452
                   +0 :              -0.00060912952049
                   +1 :              -0.00078041645388
                3p
                   -1 :              -0.00009127095891
                   +0 :               0.00060564557681
                   +1 :               0.00099035398123
                3d
                   -2 :              -0.00002499782205
                   -1 :              -0.00002667721938
                   +0 :              -0.00005039974401
                   +1 :              -0.00015171808744
                   +2 :              -0.00011012494015
              6 vec=     7.989708     -4.855122     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00004100744432
                2s
                   +0 :              -0.00047414122344
                3s
                   +0 :               0.00009248909635
                2p
                   -1 :              -0.00031911210098
                   +0 :               0.00046751965831
                   +1 :              -0.00051271719482
                3p
                   -1 :               0.00014294210333
                   +0 :              -0.00030957106454
                   +1 :               0.00023983646991
                3d
                   -2 :               0.00000202492149
                   -1 :              -0.00001298551245
                   +0 :               0.00000720111567
                   +1 :              -0.00003568605155
                   +2 :               0.00001201137449
              7 vec=     0.209546     -9.347001     -8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00013634913556
                2s
                   +0 :              -0.00170846706449
                3s
                   +0 :               0.00016763776338
                2p
                   -1 :               0.00068449416444
                   +0 :               0.00074874342755
                   +1 :               0.00017933676478
                3p
                   -1 :              -0.00025844534687
                   +0 :               0.00003615809810
                   +1 :               0.00006995118825
                3d
                   -2 :              -0.00003007379228
                   -1 :              -0.00003174276545
                   +0 :              -0.00004992242942
                   +1 :              -0.00006813083486
                   +2 :              -0.00004337780154
              8 vec=     0.209546     -0.363243     16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000519675299
                2s
                   +0 :               0.00006012050165
                3s
                   +0 :              -0.00000292395326
                2p
                   -1 :               0.00004683761991
                   +0 :               0.00007193223325
                   +1 :               0.00005602661113
                3p
                   -1 :               0.00000473659278
                   +0 :              -0.00002697733873
                   +1 :              -0.00003882653189
                3d
                   -2 :              -0.00000045030849
                   -1 :               0.00000334413809
                   +0 :               0.00000106242019
                   +1 :               0.00000402878244
                   +2 :              -0.00000343600757
              9 vec=    -7.570617     13.112394     -8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00001408742163
                2s
                   +0 :               0.00025256002724
                3s
                   +0 :               0.00004690895780
                2p
                   -1 :               0.00015365116369
                   +0 :              -0.00011147249063
                   +1 :               0.00002402999884
                3p
                   -1 :              -0.00001032980642
                   +0 :               0.00002385781420
                   +1 :              -0.00005031822223
                3d
                   -2 :              -0.00000715513100
                   -1 :               0.00000338035853
                   +0 :              -0.00000389658153
                   +1 :               0.00000117005897
                   +2 :              -0.00000233533041
             10 vec=     7.989708     13.112394     -8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00003197600937
                2s
                   +0 :               0.00036816031163
                3s
                   +0 :              -0.00004846523114
                2p
                   -1 :               0.00009721033554
                   +0 :              -0.00018641184216
                   +1 :              -0.00006529011647
                3p
                   -1 :               0.00001422197219
                   +0 :               0.00004113512565
                   +1 :               0.00010620727543
                3d
                   -2 :               0.00000882669473
                   -1 :              -0.00000716865095
                   +0 :              -0.00000344218055
                   +1 :               0.00000315681789
                   +2 :              -0.00000878045736
             11 vec=   -15.350780     -0.363243     -8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00002563052528
                2s
                   +0 :               0.00024464753326
                3s
                   +0 :              -0.00005181725077
                2p
                   -1 :              -0.00013896010817
                   +0 :              -0.00007194339155
                   +1 :              -0.00012952120903
                3p
                   -1 :               0.00007575280610
                   +0 :               0.00003342825285
                   +1 :               0.00004906202997
                3d
                   -2 :              -0.00000589845282
                   -1 :               0.00000038966721
                   +0 :               0.00000098648515
                   +1 :              -0.00000849248984
                   +2 :              -0.00000357349353
             12 vec=    15.769871     -0.363243     -8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000113861545
                2s
                   +0 :              -0.00004986610016
                3s
                   +0 :              -0.00002811928306
                2p
                   -1 :               0.00000392639073
                   +0 :               0.00002258343021
                   +1 :              -0.00002367830310
                3p
                   -1 :              -0.00000598583545
                   +0 :              -0.00001515782310
                   +1 :              -0.00000082271822
                3d
                   -2 :               0.00000166928662
                   -1 :              -0.00000528060612
                   +0 :               0.00000464363126
                   +1 :               0.00000307019569
                   +2 :              -0.00000371560141
             13 vec=    -7.570617    -13.838880     -8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00002049596166
                2s
                   +0 :              -0.00024809344426
                3s
                   +0 :              -0.00000824279413
                2p
                   -1 :               0.00001726206194
                   +0 :               0.00006174695469
                   +1 :              -0.00001131281365
                3p
                   -1 :               0.00003913263934
                   +0 :               0.00004012839368
                   +1 :               0.00011356205575
                3d
                   -2 :              -0.00001251881958
                   -1 :              -0.00000679996195
                   +0 :              -0.00000910548476
                   +1 :              -0.00001474946906
                   +2 :              -0.00000409091717
             14 vec=     7.989708    -13.838880     -8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00004772999260
                2s
                   +0 :              -0.00048269047124
                3s
                   +0 :               0.00008934671967
                2p
                   -1 :               0.00015098755017
                   +0 :               0.00005109046717
                   +1 :              -0.00016045665024
                3p
                   -1 :              -0.00001670079454
                   +0 :              -0.00003695450759
                   +1 :               0.00003213528553
                3d
                   -2 :               0.00000355373804
                   -1 :               0.00000234963875
                   +0 :               0.00000196449746
                   +1 :              -0.00000579555852
                   +2 :               0.00000274343214
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 17)  npairs=  15
              1 vec=    -2.802933      4.128636     -8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00021041829972
                2s
                   +0 :               0.00189561030937
                3s
                   +0 :              -0.00019148317826
                2p
                   -1 :              -0.00211251915989
                   +0 :              -0.00147187732213
                   +1 :              -0.00098368400489
                3p
                   -1 :               0.00222813812216
                   +0 :               0.00075508639865
                   +1 :               0.00136221466976
                3d
                   -2 :              -0.00000486648204
                   -1 :              -0.00025159819950
                   +0 :               0.00000559184122
                   +1 :              -0.00016753637653
                   +2 :              -0.00006281887400
              2 vec=     4.977229     -0.363243     -8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00043285506730
                2s
                   +0 :               0.00323328647372
                3s
                   +0 :              -0.00109994103116
                2p
                   -1 :              -0.00072720359717
                   +0 :              -0.00297307976210
                   +1 :               0.00104091761541
                3p
                   -1 :              -0.00018271426838
                   +0 :               0.00111632650805
                   +1 :               0.00007068892900
                3d
                   -2 :              -0.00018909231889
                   -1 :               0.00003847279695
                   +0 :               0.00002249758504
                   +1 :              -0.00006219879362
                   +2 :              -0.00000401553739
              3 vec=    -2.802933     -4.855122     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00040728813292
                2s
                   +0 :              -0.00344387119880
                3s
                   +0 :               0.00064235265526
                2p
                   -1 :               0.00133841290958
                   +0 :               0.00133060441168
                   +1 :               0.00288485227365
                3p
                   -1 :              -0.00072339627940
                   +0 :               0.00070413812601
                   +1 :              -0.00104318877522
                3d
                   -2 :              -0.00002950643817
                   -1 :               0.00007032890875
                   +0 :              -0.00008948117346
                   +1 :              -0.00007901081116
                   +2 :              -0.00012141483002
              4 vec=     4.977229      8.620515     -8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00015073220741
                2s
                   +0 :               0.00137057823741
                3s
                   +0 :              -0.00047157970147
                2p
                   -1 :               0.00055571941094
                   +0 :              -0.00039609632751
                   +1 :              -0.00013702344622
                3p
                   -1 :              -0.00040181155148
                   +0 :               0.00009969319907
                   +1 :               0.00009825161044
                3d
                   -2 :              -0.00003583126638
                   -1 :               0.00003824942461
                   +0 :               0.00003489634832
                   +1 :               0.00000624564369
                   +2 :               0.00003693135114
              5 vec=   -10.583096     -0.363243     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00000579262947
                2s
                   +0 :               0.00023115352233
                3s
                   +0 :               0.00003714168729
                2p
                   -1 :               0.00019070940898
                   +0 :               0.00016677805222
                   +1 :              -0.00009488841635
                3p
                   -1 :              -0.00026245645619
                   +0 :              -0.00001310968505
                   +1 :              -0.00008835147791
                3d
                   -2 :               0.00001452662959
                   -1 :               0.00005283660310
                   +0 :               0.00002784264521
                   +1 :              -0.00001966811777
                   +2 :               0.00001789311890
              6 vec=     4.977229     -9.347001     -8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00021681619059
                2s
                   +0 :              -0.00241454546356
                3s
                   +0 :               0.00040258445643
                2p
                   -1 :               0.00049603021682
                   +0 :               0.00105145951229
                   +1 :              -0.00045643530815
                3p
                   -1 :              -0.00013273736347
                   +0 :              -0.00032564907831
                   +1 :              -0.00002842764401
                3d
                   -2 :               0.00004865328828
                   -1 :               0.00000253302765
                   +0 :              -0.00001152610490
                   +1 :               0.00003448619155
                   +2 :              -0.00002799513291
              7 vec=    -2.802933     13.112394     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00002774519106
                2s
                   +0 :               0.00033093678409
                3s
                   +0 :              -0.00000316988955
                2p
                   -1 :              -0.00001501879632
                   +0 :              -0.00006909490322
                   +1 :               0.00005296127967
                3p
                   -1 :               0.00015517289407
                   +0 :              -0.00008645715814
                   +1 :              -0.00002847139772
                3d
                   -2 :              -0.00001676116973
                   -1 :              -0.00000886493596
                   +0 :               0.00000007203857
                   +1 :               0.00002586276259
                   +2 :               0.00000971539535
              8 vec=    12.757392      4.128636     -8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00002371260711
                2s
                   +0 :               0.00013189438818
                3s
                   +0 :              -0.00010898681456
                2p
                   -1 :               0.00007335930184
                   +0 :              -0.00003791052847
                   +1 :               0.00017948478488
                3p
                   -1 :              -0.00014121746692
                   +0 :               0.00008543935720
                   +1 :              -0.00007236573611
                3d
                   -2 :              -0.00000858826474
                   -1 :               0.00002029724101
                   +0 :              -0.00000628305800
                   +1 :               0.00000048027917
                   +2 :               0.00001029850642
              9 vec=   -10.583096      8.620515     -8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00005287265223
                2s
                   +0 :               0.00047428907254
                3s
                   +0 :              -0.00009793235098
                2p
                   -1 :              -0.00002759556406
                   +0 :              -0.00003690244893
                   +1 :              -0.00023995972971
                3p
                   -1 :               0.00002458362867
                   +0 :              -0.00006055888324
                   +1 :               0.00011841946248
                3d
                   -2 :               0.00000358512866
                   -1 :              -0.00000729997349
                   +0 :               0.00000315934735
                   +1 :               0.00001017382583
                   +2 :              -0.00001063184305
             10 vec=    12.757392     -4.855122     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00000663534066
                2s
                   +0 :              -0.00006006478026
                3s
                   +0 :              -0.00006176201437
                2p
                   -1 :              -0.00004963255539
                   +0 :               0.00000295569935
                   +1 :               0.00000061430567
                3p
                   -1 :               0.00003426249373
                   +0 :               0.00001300718390
                   +1 :              -0.00005845291477
                3d
                   -2 :               0.00000145214687
                   -1 :               0.00000432060792
                   +0 :              -0.00000354046596
                   +1 :               0.00000194385684
                   +2 :              -0.00000091829366
             11 vec=   -10.583096     -9.347001     -8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000592502354
                2s
                   +0 :              -0.00008529989361
                3s
                   +0 :              -0.00001244989059
                2p
                   -1 :              -0.00006772109931
                   +0 :              -0.00003367262852
                   +1 :               0.00014476477697
                3p
                   -1 :               0.00005073286296
                   +0 :               0.00006495028595
                   +1 :              -0.00006111858511
                3d
                   -2 :               0.00000553709074
                   -1 :              -0.00000514352280
                   +0 :              -0.00000328435723
                   +1 :               0.00000416536419
                   +2 :               0.00000171240146
             12 vec=    -2.802933    -13.838880     -8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00006075162575
                2s
                   +0 :              -0.00062763524387
                3s
                   +0 :               0.00008697321947
                2p
                   -1 :               0.00032610603817
                   +0 :               0.00021992838959
                   +1 :               0.00013647641124
                3p
                   -1 :              -0.00012511218550
                   +0 :              -0.00005843283870
                   +1 :              -0.00009630315783
                3d
                   -2 :               0.00000364286700
                   -1 :               0.00000896451972
                   +0 :              -0.00000412490958
                   +1 :               0.00001112307882
                   +2 :              -0.00000115020418
             13 vec=    -2.802933      4.128636     16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00004498430202
                2s
                   +0 :              -0.00039444082162
                3s
                   +0 :               0.00009616005579
                2p
                   -1 :              -0.00009692517666
                   +0 :              -0.00015502289014
                   +1 :              -0.00000799075762
                3p
                   -1 :               0.00008234252108
                   +0 :               0.00004780930161
                   +1 :               0.00001637286705
                3d
                   -2 :               0.00000078070063
                   -1 :               0.00000621368030
                   +0 :              -0.00001237570075
                   +1 :               0.00000633912924
                   +2 :               0.00000575929375
             14 vec=     4.977229     -0.363243     16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00001567782473
                2s
                   +0 :              -0.00011594642288
                3s
                   +0 :               0.00004317147206
                2p
                   -1 :               0.00004734936198
                   +0 :              -0.00004857930831
                   +1 :              -0.00004506383043
                3p
                   -1 :               0.00000362794271
                   +0 :               0.00002399621323
                   +1 :               0.00001908360605
                3d
                   -2 :               0.00000209189479
                   -1 :               0.00000512639971
                   +0 :              -0.00000206344665
                   +1 :              -0.00000353266235
                   +2 :               0.00000045822095
             15 vec=    -2.802933     -4.855122     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00000475462338
                2s
                   +0 :               0.00006090182409
                3s
                   +0 :              -0.00001928428043
                2p
                   -1 :              -0.00014336713771
                   +0 :              -0.00004513550738
                   +1 :               0.00008919057221
                3p
                   -1 :               0.00007261153940
                   +0 :               0.00007093106628
                   +1 :              -0.00007355906327
                3d
                   -2 :               0.00000506132150
                   -1 :              -0.00000319913868
                   +0 :               0.00000327435798
                   +1 :              -0.00000084050471
                   +2 :               0.00000161930766
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 18)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00002808638738
                2s
                   +0 :               0.00073035869350
                3s
                   +0 :               0.00000937261868
                2p
                   -1 :              -0.00139465682492
                   +0 :              -0.00027630155950
                   +1 :               0.00070830748899
                3p
                   -1 :               0.00145662112422
                   +0 :              -0.00026035731848
                   +1 :              -0.00102040723993
                3d
                   -2 :              -0.00005842652351
                   -1 :              -0.00017899687974
                   +0 :              -0.00006631057724
                   +1 :               0.00003356309388
                   +2 :               0.00000026523010
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00043667906131
                2s
                   +0 :               0.00470839260094
                3s
                   +0 :              -0.00058526621532
                2p
                   -1 :              -0.00039525354050
                   +0 :              -0.00317534584308
                   +1 :              -0.00129531457982
                3p
                   -1 :              -0.00034950593459
                   +0 :               0.00013222429075
                   +1 :              -0.00035388668696
                3d
                   -2 :               0.00012274159109
                   -1 :              -0.00000622087136
                   +0 :               0.00012784539342
                   +1 :               0.00024251906280
                   +2 :               0.00005424792526
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00040689305122
                2s
                   +0 :              -0.00326653173561
                3s
                   +0 :               0.00054116652857
                2p
                   -1 :              -0.00027307005767
                   +0 :               0.00292422221450
                   +1 :              -0.00095089372940
                3p
                   -1 :               0.00023106279381
                   +0 :              -0.00044510417200
                   +1 :              -0.00083528030619
                3d
                   -2 :               0.00009879628185
                   -1 :               0.00000689534930
                   +0 :               0.00001751830097
                   +1 :               0.00028992036441
                   +2 :              -0.00007558090016
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00003931406653
                2s
                   +0 :               0.00085861128451
                3s
                   +0 :              -0.00006487981354
                2p
                   -1 :               0.00082074324392
                   +0 :              -0.00011717672558
                   +1 :               0.00038025269498
                3p
                   -1 :              -0.00047613738158
                   +0 :              -0.00017571738110
                   +1 :              -0.00034810943261
                3d
                   -2 :               0.00004076809989
                   -1 :              -0.00000341756638
                   +0 :               0.00004712685118
                   +1 :              -0.00002133898581
                   +2 :               0.00002304672570
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001263744527
                2s
                   +0 :              -0.00002526795073
                3s
                   +0 :               0.00004159622490
                2p
                   -1 :              -0.00039014396532
                   +0 :              -0.00001533159224
                   +1 :              -0.00011793715689
                3p
                   -1 :               0.00029426103741
                   +0 :              -0.00000492937505
                   +1 :               0.00016532733065
                3d
                   -2 :              -0.00001631073326
                   -1 :               0.00000285954473
                   +0 :               0.00001415796837
                   +1 :              -0.00000058965706
                   +2 :               0.00002278993648
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001826155505
                2s
                   +0 :              -0.00077944489805
                3s
                   +0 :              -0.00000838800596
                2p
                   -1 :               0.00032351683005
                   +0 :               0.00047561973987
                   +1 :               0.00058712272408
                3p
                   -1 :              -0.00020635259228
                   +0 :              -0.00036192310578
                   +1 :              -0.00019174379461
                3d
                   -2 :               0.00000069938051
                   -1 :               0.00002801539508
                   +0 :               0.00004587515493
                   +1 :               0.00000049629376
                   +2 :               0.00000751964142
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000745058320
                2s
                   +0 :               0.00005985705705
                3s
                   +0 :               0.00007924093636
                2p
                   -1 :              -0.00003998838079
                   +0 :              -0.00029223261091
                   +1 :              -0.00011752433884
                3p
                   -1 :               0.00012172655313
                   +0 :               0.00019379948504
                   +1 :               0.00011435175250
                3d
                   -2 :               0.00002078957973
                   -1 :               0.00000066712702
                   +0 :              -0.00002668822301
                   +1 :              -0.00001897635261
                   +2 :              -0.00000805759161
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000745485723
                2s
                   +0 :               0.00003152443898
                3s
                   +0 :               0.00003623496253
                2p
                   -1 :              -0.00023367585917
                   +0 :              -0.00020175988902
                   +1 :               0.00007322662300
                3p
                   -1 :               0.00014867143292
                   +0 :               0.00005439135169
                   +1 :               0.00000839109318
                3d
                   -2 :              -0.00000646951231
                   -1 :               0.00000846965483
                   +0 :               0.00000626622333
                   +1 :              -0.00000650801082
                   +2 :              -0.00000321686495
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00004331073101
                2s
                   +0 :               0.00034534365066
                3s
                   +0 :              -0.00005264634030
                2p
                   -1 :               0.00012593858444
                   +0 :              -0.00001015576519
                   +1 :              -0.00025524699754
                3p
                   -1 :              -0.00009893481076
                   +0 :               0.00000028775168
                   +1 :               0.00015043273168
                3d
                   -2 :              -0.00000116922306
                   -1 :              -0.00000978135008
                   +0 :               0.00001218135834
                   +1 :               0.00000267539397
                   +2 :              -0.00000597416902
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00000399044280
                2s
                   +0 :              -0.00003713804334
                3s
                   +0 :               0.00001197708774
                2p
                   -1 :              -0.00005269271172
                   +0 :               0.00004897298325
                   +1 :               0.00008234225418
                3p
                   -1 :              -0.00002098751813
                   +0 :              -0.00003920948895
                   +1 :              -0.00001240280132
                3d
                   -2 :              -0.00001158844213
                   -1 :               0.00001548718250
                   +0 :              -0.00001008650507
                   +1 :               0.00000068922945
                   +2 :               0.00000842694934
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00003218251715
                2s
                   +0 :              -0.00036761606163
                3s
                   +0 :               0.00004641764842
                2p
                   -1 :              -0.00010094710174
                   +0 :               0.00002893127909
                   +1 :              -0.00020052562798
                3p
                   -1 :               0.00006698684419
                   +0 :               0.00001095368017
                   +1 :               0.00005078155643
                3d
                   -2 :              -0.00000230322629
                   -1 :              -0.00000783332795
                   +0 :              -0.00000215077996
                   +1 :               0.00000095645147
                   +2 :              -0.00000252992489
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00002673089370
                2s
                   +0 :              -0.00043321263951
                3s
                   +0 :              -0.00000771711941
                2p
                   -1 :               0.00021631039793
                   +0 :               0.00015980616423
                   +1 :              -0.00003087534674
                3p
                   -1 :              -0.00003185641071
                   +0 :              -0.00002149231140
                   +1 :              -0.00000048231456
                3d
                   -2 :               0.00000586381736
                   -1 :              -0.00000557833317
                   +0 :               0.00000180856456
                   +1 :               0.00001540936611
                   +2 :              -0.00000209957229
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00002610021446
                2s
                   +0 :              -0.00022090198938
                3s
                   +0 :               0.00005214903131
                2p
                   -1 :              -0.00001561223780
                   +0 :              -0.00009802672842
                   +1 :              -0.00003630963468
                3p
                   -1 :               0.00002873416417
                   +0 :               0.00004427729513
                   +1 :               0.00007760048760
                3d
                   -2 :              -0.00000175194895
                   -1 :               0.00000395819083
                   +0 :               0.00000664368181
                   +1 :               0.00001235561489
                   +2 :              -0.00000315999025
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003602840401
                2s
                   +0 :              -0.00029830777748
                3s
                   +0 :               0.00008188267383
                2p
                   -1 :               0.00005454946228
                   +0 :              -0.00013788202707
                   +1 :              -0.00007810416112
                3p
                   -1 :              -0.00004554128617
                   +0 :               0.00005422825117
                   +1 :               0.00007540016556
                3d
                   -2 :               0.00000152915263
                   -1 :              -0.00000347448930
                   +0 :              -0.00000048303038
                   +1 :               0.00000236163503
                   +2 :              -0.00000303601557
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000132922164
                2s
                   +0 :               0.00000284716712
                3s
                   +0 :               0.00000380183438
                2p
                   -1 :               0.00012239176423
                   +0 :               0.00001139084484
                   +1 :              -0.00004890911211
                3p
                   -1 :              -0.00008606186025
                   +0 :              -0.00004235904007
                   +1 :               0.00003348296019
                3d
                   -2 :              -0.00000329182812
                   -1 :              -0.00000116631345
                   +0 :              -0.00001109374535
                   +1 :              -0.00000164129714
                   +2 :              -0.00000599674968
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 19)  npairs=  14
              1 vec=     2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004855432698
                2s
                   +0 :               0.00031287857827
                3s
                   +0 :              -0.00021725487038
                2p
                   -1 :               0.00006351276138
                   +0 :              -0.00032352688762
                   +1 :               0.00005863172327
                3p
                   -1 :              -0.00003231682331
                   +0 :               0.00041803882945
                   +1 :              -0.00007964956240
                3d
                   -2 :              -0.00002458823063
                   -1 :               0.00000677645381
                   +0 :              -0.00006603568546
                   +1 :               0.00000983604317
                   +2 :              -0.00000717048515
              2 vec=     2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00011802470067
                2s
                   +0 :              -0.00079345674604
                3s
                   +0 :               0.00032360253758
                2p
                   -1 :               0.00063277161490
                   +0 :              -0.00062293318039
                   +1 :              -0.00020645973519
                3p
                   -1 :              -0.00036676668417
                   +0 :               0.00034678945152
                   +1 :              -0.00007747776173
                3d
                   -2 :               0.00001349484004
                   -1 :              -0.00002580470288
                   +0 :               0.00004278588899
                   +1 :              -0.00003357570888
                   +2 :               0.00001687425483
              3 vec=    -5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001046231353
                2s
                   +0 :               0.00014615053093
                3s
                   +0 :              -0.00002392731842
                2p
                   -1 :              -0.00098861634343
                   +0 :              -0.00017758490994
                   +1 :               0.00029789199997
                3p
                   -1 :               0.00030200086499
                   +0 :              -0.00002492593751
                   +1 :              -0.00003753000942
                3d
                   -2 :              -0.00000291474449
                   -1 :               0.00003995876082
                   +0 :              -0.00001969211442
                   +1 :              -0.00000797572873
                   +2 :              -0.00000657742348
              4 vec=    -5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00009645049639
                2s
                   +0 :              -0.00062509076838
                3s
                   +0 :               0.00017802520099
                2p
                   -1 :              -0.00020454365074
                   +0 :               0.00016196245387
                   +1 :               0.00064034848710
                3p
                   -1 :              -0.00021831947514
                   +0 :              -0.00010183431720
                   +1 :              -0.00031913957132
                3d
                   -2 :               0.00000943504113
                   -1 :              -0.00004716875374
                   +0 :              -0.00001477800032
                   +1 :               0.00000766516378
                   +2 :              -0.00001245515926
              5 vec=    -5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00003383055014
                2s
                   +0 :               0.00034160210725
                3s
                   +0 :              -0.00000427151685
                2p
                   -1 :              -0.00005120652259
                   +0 :               0.00005892104900
                   +1 :               0.00007256104206
                3p
                   -1 :               0.00004713497835
                   +0 :              -0.00012762612926
                   +1 :              -0.00011990873579
                3d
                   -2 :              -0.00000190999698
                   -1 :              -0.00001074176207
                   +0 :               0.00001214817116
                   +1 :               0.00001339854161
                   +2 :               0.00001227055221
              6 vec=    -5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000702515400
                2s
                   +0 :              -0.00004511484034
                3s
                   +0 :              -0.00002569489701
                2p
                   -1 :               0.00004634246833
                   +0 :              -0.00000017603093
                   +1 :               0.00018199234597
                3p
                   -1 :              -0.00008269543010
                   +0 :               0.00003034503859
                   +1 :              -0.00014422366774
                3d
                   -2 :               0.00000185609149
                   -1 :              -0.00000035093299
                   +0 :              -0.00001177160051
                   +1 :              -0.00000091586814
                   +2 :               0.00000683911922
              7 vec=     2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00005579396294
                2s
                   +0 :              -0.00060059971894
                3s
                   +0 :               0.00006074107655
                2p
                   -1 :              -0.00009986474464
                   +0 :               0.00018932387570
                   +1 :               0.00007067196867
                3p
                   -1 :               0.00012981715129
                   +0 :               0.00008535524397
                   +1 :               0.00001619174198
                3d
                   -2 :              -0.00000930710510
                   -1 :              -0.00002701467243
                   +0 :               0.00000627835149
                   +1 :              -0.00001159442969
                   +2 :               0.00001094701923
              8 vec=     2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00005102384527
                2s
                   +0 :               0.00035921183067
                3s
                   +0 :              -0.00011477929165
                2p
                   -1 :               0.00002801471458
                   +0 :               0.00024462616764
                   +1 :               0.00023403157158
                3p
                   -1 :              -0.00003691508896
                   +0 :              -0.00008089866016
                   +1 :              -0.00006257022581
                3d
                   -2 :              -0.00001848089725
                   -1 :              -0.00001437170027
                   +0 :               0.00002405178168
                   +1 :               0.00002653705398
                   +2 :              -0.00002618767934
              9 vec=     2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000001946931
                2s
                   +0 :               0.00008316903220
                3s
                   +0 :               0.00005046288319
                2p
                   -1 :               0.00009469828680
                   +0 :               0.00006617716120
                   +1 :               0.00002525653394
                3p
                   -1 :              -0.00003421798672
                   +0 :              -0.00014366801405
                   +1 :              -0.00002818424968
                3d
                   -2 :              -0.00001047447940
                   -1 :               0.00000261919225
                   +0 :               0.00002353044895
                   +1 :              -0.00000458886861
                   +2 :              -0.00000219566440
             10 vec=     2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00005000232614
                2s
                   +0 :              -0.00043810748250
                3s
                   +0 :               0.00012108374178
                2p
                   -1 :              -0.00022114913860
                   +0 :              -0.00007865283070
                   +1 :               0.00010892556808
                3p
                   -1 :               0.00016418023012
                   +0 :               0.00005941106298
                   +1 :              -0.00004720733770
                3d
                   -2 :               0.00001667473917
                   -1 :               0.00000266209376
                   +0 :               0.00001080943268
                   +1 :               0.00000416587139
                   +2 :               0.00001825596437
             11 vec=    10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001212146070
                2s
                   +0 :              -0.00015817044515
                3s
                   +0 :               0.00001132548247
                2p
                   -1 :               0.00007135483442
                   +0 :              -0.00005658982770
                   +1 :              -0.00007869391571
                3p
                   -1 :              -0.00010582772478
                   +0 :               0.00004079549894
                   +1 :               0.00002877829343
                3d
                   -2 :              -0.00000523804955
                   -1 :               0.00001030420342
                   +0 :              -0.00000791854671
                   +1 :               0.00000284482433
                   +2 :              -0.00000848877589
             12 vec=    10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00011396649475
                2s
                   +0 :               0.00114651499281
                3s
                   +0 :              -0.00010318163652
                2p
                   -1 :               0.00047546117821
                   +0 :               0.00028155854307
                   +1 :              -0.00003419759999
                3p
                   -1 :              -0.00004425165023
                   +0 :               0.00016721685925
                   +1 :               0.00022282000768
                3d
                   -2 :               0.00002931418206
                   -1 :               0.00005150025522
                   +0 :               0.00001650076334
                   +1 :               0.00004711601708
                   +2 :              -0.00000103340980
             13 vec=    10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002969287382
                2s
                   +0 :              -0.00020613474923
                3s
                   +0 :               0.00008689200370
                2p
                   -1 :               0.00000191581205
                   +0 :               0.00013248782397
                   +1 :               0.00000615450680
                3p
                   -1 :               0.00000896763197
                   +0 :              -0.00010212278100
                   +1 :               0.00001146448042
                3d
                   -2 :              -0.00000306767373
                   -1 :               0.00000706763865
                   +0 :               0.00000379039018
                   +1 :               0.00000013302152
                   +2 :              -0.00000735603892
             14 vec=    10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001043390692
                2s
                   +0 :              -0.00020526337846
                3s
                   +0 :               0.00001994757370
                2p
                   -1 :              -0.00002727912259
                   +0 :               0.00004238605895
                   +1 :              -0.00017959135700
                3p
                   -1 :               0.00005205993719
                   +0 :              -0.00000866828101
                   +1 :               0.00006100727993
                3d
                   -2 :               0.00000406756505
                   -1 :               0.00001184129157
                   +0 :               0.00000278374548
                   +1 :              -0.00000311494196
                   +2 :              -0.00000033719784
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 20)  npairs=  14
              1 vec=    -2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00002756828085
                2s
                   +0 :              -0.00002656187784
                3s
                   +0 :               0.00015812361966
                2p
                   -1 :               0.00023507635874
                   +0 :               0.00029648722080
                   +1 :               0.00025541216222
                3p
                   -1 :              -0.00019013690187
                   +0 :              -0.00028393059963
                   +1 :               0.00000365179427
                3d
                   -2 :              -0.00000312479820
                   -1 :               0.00001498515953
                   +0 :               0.00002487814453
                   +1 :              -0.00002207718796
                   +2 :              -0.00000448056621
              2 vec=    -2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00007847044109
                2s
                   +0 :               0.00034654335028
                3s
                   +0 :              -0.00037457973485
                2p
                   -1 :               0.00006803613540
                   +0 :               0.00042288304144
                   +1 :              -0.00013990324514
                3p
                   -1 :              -0.00001671241089
                   +0 :              -0.00063404121823
                   +1 :               0.00021085548824
                3d
                   -2 :               0.00002148274393
                   -1 :              -0.00000478228608
                   +0 :              -0.00008166787830
                   +1 :               0.00003260477541
                   +2 :               0.00000335307186
              3 vec=     5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00008301148110
                2s
                   +0 :              -0.00056194020529
                3s
                   +0 :               0.00016833111815
                2p
                   -1 :              -0.00014162463955
                   +0 :              -0.00006460985667
                   +1 :              -0.00040495378012
                3p
                   -1 :              -0.00020969974730
                   +0 :               0.00008635709981
                   +1 :               0.00016237633038
                3d
                   -2 :              -0.00000681813117
                   -1 :               0.00002879595210
                   +0 :              -0.00002611837331
                   +1 :               0.00000809752607
                   +2 :              -0.00000743668450
              4 vec=     5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00002892754295
                2s
                   +0 :               0.00023445340364
                3s
                   +0 :              -0.00008959840860
                2p
                   -1 :               0.00008344966782
                   +0 :               0.00021035871722
                   +1 :              -0.00027479856081
                3p
                   -1 :               0.00000761621611
                   +0 :              -0.00016214723206
                   +1 :              -0.00007007008187
                3d
                   -2 :              -0.00002056465917
                   -1 :               0.00001325441402
                   +0 :              -0.00005479287264
                   +1 :              -0.00000786524639
                   +2 :               0.00002905195112
              5 vec=     5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00001469279210
                2s
                   +0 :               0.00016582345819
                3s
                   +0 :              -0.00008819844975
                2p
                   -1 :               0.00002837014913
                   +0 :              -0.00009010114819
                   +1 :              -0.00003466510687
                3p
                   -1 :              -0.00007678406932
                   +0 :               0.00007386735297
                   +1 :               0.00013933263951
                3d
                   -2 :              -0.00000049649041
                   -1 :              -0.00000158920503
                   +0 :              -0.00001911549193
                   +1 :              -0.00000653054789
                   +2 :               0.00000313827901
              6 vec=     5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00014330154087
                2s
                   +0 :              -0.00119868745561
                3s
                   +0 :               0.00032709307455
                2p
                   -1 :              -0.00001692943393
                   +0 :              -0.00030219313241
                   +1 :              -0.00011191352255
                3p
                   -1 :               0.00008373242563
                   +0 :               0.00003903714464
                   +1 :              -0.00005337338125
                3d
                   -2 :               0.00000416937356
                   -1 :               0.00003461868385
                   +0 :              -0.00000015621359
                   +1 :              -0.00002037559331
                   +2 :              -0.00000614575823
              7 vec=    -2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00003390385742
                2s
                   +0 :              -0.00058677702630
                3s
                   +0 :               0.00002062326209
                2p
                   -1 :               0.00027789774317
                   +0 :               0.00037005593515
                   +1 :              -0.00005737537952
                3p
                   -1 :              -0.00019433568467
                   +0 :              -0.00001874753462
                   +1 :               0.00000527985297
                3d
                   -2 :               0.00000763420572
                   -1 :              -0.00000695516246
                   +0 :               0.00000053268214
                   +1 :               0.00000500717898
                   +2 :              -0.00001356468198
              8 vec=    -2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00005338084145
                2s
                   +0 :              -0.00052139174596
                3s
                   +0 :               0.00000886898668
                2p
                   -1 :               0.00002197821767
                   +0 :              -0.00006287909352
                   +1 :              -0.00009531033870
                3p
                   -1 :               0.00015004354821
                   +0 :              -0.00020070964285
                   +1 :              -0.00004524151729
                3d
                   -2 :               0.00000891026420
                   -1 :               0.00004716703160
                   +0 :              -0.00000328846980
                   +1 :              -0.00002245751090
                   +2 :               0.00002614101794
              9 vec=    -2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00002091325411
                2s
                   +0 :               0.00022694749415
                3s
                   +0 :              -0.00000507438433
                2p
                   -1 :              -0.00009352104355
                   +0 :               0.00000088699813
                   +1 :              -0.00002687107023
                3p
                   -1 :               0.00013011391495
                   +0 :              -0.00008824526591
                   +1 :               0.00005376635354
                3d
                   -2 :              -0.00001422540027
                   -1 :              -0.00001131845218
                   +0 :               0.00000972681535
                   +1 :               0.00000160180933
                   +2 :               0.00000607627425
             10 vec=    -2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001519413095
                2s
                   +0 :              -0.00012003934196
                3s
                   +0 :               0.00005622068897
                2p
                   -1 :               0.00005240520325
                   +0 :              -0.00005672522716
                   +1 :               0.00002027644565
                3p
                   -1 :              -0.00003860195191
                   +0 :               0.00015380550014
                   +1 :              -0.00000131523419
                3d
                   -2 :               0.00001047314899
                   -1 :              -0.00000053901123
                   +0 :               0.00002461892383
                   +1 :              -0.00001623431307
                   +2 :               0.00000436068968
             11 vec=   -10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000323709773
                2s
                   +0 :               0.00005390728268
                3s
                   +0 :               0.00000517037412
                2p
                   -1 :               0.00009575839389
                   +0 :              -0.00001804362799
                   +1 :               0.00016981148580
                3p
                   -1 :              -0.00014149236192
                   +0 :               0.00001445470606
                   +1 :              -0.00013825624877
                3d
                   -2 :               0.00000591422831
                   -1 :               0.00001121818989
                   +0 :               0.00000283447583
                   +1 :               0.00001318273822
                   +2 :               0.00000070560273
             12 vec=   -10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000067315741
                2s
                   +0 :              -0.00009102229542
                3s
                   +0 :              -0.00002736895855
                2p
                   -1 :               0.00007817388138
                   +0 :               0.00010802756960
                   +1 :               0.00009863111422
                3p
                   -1 :              -0.00010691011478
                   +0 :              -0.00008368880264
                   +1 :              -0.00002124077628
                3d
                   -2 :               0.00000308771978
                   -1 :              -0.00001348642550
                   +0 :              -0.00000661279778
                   +1 :               0.00000277419258
                   +2 :              -0.00000989491988
             13 vec=   -10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00003879612735
                2s
                   +0 :               0.00037843468908
                3s
                   +0 :              -0.00004759566534
                2p
                   -1 :               0.00000939296248
                   +0 :              -0.00003951985613
                   +1 :              -0.00006868717305
                3p
                   -1 :               0.00007362241033
                   +0 :              -0.00004794056448
                   +1 :              -0.00000793940762
                3d
                   -2 :              -0.00001429759298
                   -1 :              -0.00001204605669
                   +0 :               0.00000175907440
                   +1 :               0.00000628654881
                   +2 :              -0.00000281735730
             14 vec=   -10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002427266779
                2s
                   +0 :              -0.00011976010614
                3s
                   +0 :               0.00009767700079
                2p
                   -1 :               0.00001217520913
                   +0 :              -0.00006914668753
                   +1 :              -0.00000443611975
                3p
                   -1 :               0.00001840755390
                   +0 :               0.00011670463337
                   +1 :              -0.00000540809534
                3d
                   -2 :               0.00000351014228
                   -1 :              -0.00000403794450
                   +0 :               0.00000778049147
                   +1 :              -0.00000597843741
                   +2 :              -0.00000511715594
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 21)  npairs=  18
              1 vec=     0.000000     -3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00000004752018
                2s
                   +0 :              -0.00013995175900
                3s
                   +0 :              -0.00004992046644
                2p
                   -1 :              -0.00035852712237
                   +0 :              -0.00015944982987
                   +1 :               0.00021023617043
                3p
                   -1 :               0.00017552480293
                   +0 :               0.00020696524622
                   +1 :              -0.00014741118148
                3d
                   -2 :               0.00000623627378
                   -1 :              -0.00000419284053
                   +0 :               0.00002375637823
                   +1 :              -0.00000886330519
                   +2 :               0.00000430064183
              2 vec=     0.000000     -3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00003311348983
                2s
                   +0 :               0.00021499271161
                3s
                   +0 :              -0.00009893948645
                2p
                   -1 :               0.00014957965319
                   +0 :               0.00041178434036
                   +1 :              -0.00068834678396
                3p
                   -1 :               0.00004910592075
                   +0 :              -0.00017813890705
                   +1 :               0.00022925339420
                3d
                   -2 :              -0.00001693928262
                   -1 :               0.00002392542218
                   +0 :               0.00004055707149
                   +1 :              -0.00005453664921
                   +2 :               0.00001787853226
              3 vec=     0.000000      5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00011475090704
                2s
                   +0 :               0.00093573247384
                3s
                   +0 :              -0.00023417906348
                2p
                   -1 :              -0.00006175385328
                   +0 :              -0.00055873969798
                   +1 :              -0.00029683740099
                3p
                   -1 :               0.00011753030983
                   +0 :               0.00018021893695
                   +1 :               0.00030974931851
                3d
                   -2 :              -0.00000232255121
                   -1 :              -0.00001430253196
                   +0 :              -0.00001117199157
                   +1 :              -0.00004619754337
                   +2 :               0.00002366961773
              4 vec=     0.000000      5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00001423094003
                2s
                   +0 :              -0.00008065650918
                3s
                   +0 :              -0.00014733694350
                2p
                   -1 :              -0.00010387076667
                   +0 :               0.00034818416101
                   +1 :               0.00066649736409
                3p
                   -1 :               0.00009744093302
                   +0 :              -0.00035124005958
                   +1 :              -0.00028130923827
                3d
                   -2 :               0.00001257071276
                   -1 :              -0.00000551513041
                   +0 :              -0.00002331260540
                   +1 :               0.00000708327820
                   +2 :               0.00000061151735
              5 vec=    -7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00010898486378
                2s
                   +0 :               0.00123604162164
                3s
                   +0 :              -0.00017541512584
                2p
                   -1 :               0.00009409055620
                   +0 :              -0.00091837582569
                   +1 :              -0.00044195394936
                3p
                   -1 :              -0.00000026446562
                   +0 :               0.00018910294699
                   +1 :               0.00016987780712
                3d
                   -2 :              -0.00000904589700
                   -1 :              -0.00001542197674
                   +0 :               0.00001653057391
                   +1 :               0.00001305977682
                   +2 :               0.00001174716871
              6 vec=    -7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00000247221431
                2s
                   +0 :               0.00006148723656
                3s
                   +0 :               0.00001484168350
                2p
                   -1 :              -0.00033258438329
                   +0 :               0.00030663359017
                   +1 :              -0.00011781650864
                3p
                   -1 :               0.00028217026714
                   +0 :              -0.00006618074927
                   +1 :               0.00006195201025
                3d
                   -2 :              -0.00000786228131
                   -1 :               0.00002353706099
                   +0 :               0.00001698736256
                   +1 :               0.00000020999087
                   +2 :              -0.00000623361059
              7 vec=     7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000304665195
                2s
                   +0 :               0.00011872023610
                3s
                   +0 :               0.00000628394732
                2p
                   -1 :              -0.00031625323571
                   +0 :              -0.00021649315783
                   +1 :               0.00011738347451
                3p
                   -1 :               0.00026593544402
                   +0 :              -0.00000157243040
                   +1 :              -0.00004203031453
                3d
                   -2 :               0.00000742602629
                   -1 :              -0.00001991581000
                   +0 :               0.00001668312472
                   +1 :              -0.00000219750766
                   +2 :              -0.00000888370006
              8 vec=     7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00002944105180
                2s
                   +0 :              -0.00007883540300
                3s
                   +0 :               0.00011861034578
                2p
                   -1 :              -0.00032036275707
                   +0 :               0.00010075891721
                   +1 :               0.00024540600516
                3p
                   -1 :               0.00020735886523
                   +0 :               0.00002617076260
                   +1 :              -0.00017041039781
                3d
                   -2 :              -0.00003660160746
                   -1 :              -0.00001070069293
                   +0 :              -0.00002362032208
                   +1 :              -0.00001163039571
                   +2 :               0.00000574655427
              9 vec=    -7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000113297324
                2s
                   +0 :              -0.00005711063672
                3s
                   +0 :              -0.00003230501714
                2p
                   -1 :               0.00001206565110
                   +0 :              -0.00009750018951
                   +1 :              -0.00008990664546
                3p
                   -1 :              -0.00002913208779
                   +0 :               0.00021660874495
                   +1 :               0.00013085022517
                3d
                   -2 :               0.00001290263561
                   -1 :              -0.00000036804857
                   +0 :              -0.00001422104815
                   +1 :              -0.00000884161126
                   +2 :              -0.00000579144527
             10 vec=    -7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002410129295
                2s
                   +0 :              -0.00022490386885
                3s
                   +0 :               0.00003820741905
                2p
                   -1 :              -0.00000100990509
                   +0 :              -0.00009906942867
                   +1 :               0.00012965830989
                3p
                   -1 :               0.00003994200603
                   +0 :              -0.00000970503406
                   +1 :              -0.00003477915028
                3d
                   -2 :              -0.00000091707416
                   -1 :               0.00000496431981
                   +0 :              -0.00000117701808
                   +1 :               0.00001056583272
                   +2 :               0.00000437519366
             11 vec=     7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00003419279662
                2s
                   +0 :              -0.00038887550446
                3s
                   +0 :               0.00003773500475
                2p
                   -1 :              -0.00014347528703
                   +0 :               0.00020329127525
                   +1 :              -0.00014428705723
                3p
                   -1 :               0.00005178394718
                   +0 :              -0.00000523044528
                   +1 :               0.00002545923710
                3d
                   -2 :              -0.00000379793678
                   -1 :               0.00000660918490
                   +0 :              -0.00000163159526
                   +1 :               0.00001442717736
                   +2 :               0.00000176190819
             12 vec=     7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00015793647621
                2s
                   +0 :               0.00143704000909
                3s
                   +0 :              -0.00025752883320
                2p
                   -1 :              -0.00025005474890
                   +0 :               0.00021208530190
                   +1 :              -0.00002176905231
                3p
                   -1 :              -0.00008306256888
                   +0 :               0.00005602383053
                   +1 :              -0.00015286640369
                3d
                   -2 :               0.00000171165907
                   -1 :              -0.00003686751054
                   +0 :               0.00000893575453
                   +1 :              -0.00003530371586
                   +2 :              -0.00002148403146
             13 vec=     0.000000    -12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00004775862653
                2s
                   +0 :              -0.00048474775852
                3s
                   +0 :               0.00007396015167
                2p
                   -1 :               0.00011037704853
                   +0 :               0.00012220034914
                   +1 :               0.00005730534810
                3p
                   -1 :               0.00001114602585
                   +0 :               0.00002445725374
                   +1 :              -0.00004935376243
                3d
                   -2 :               0.00000692995196
                   -1 :              -0.00000464186922
                   +0 :              -0.00000499775370
                   +1 :               0.00000537752278
                   +2 :               0.00000435320607
             14 vec=     0.000000    -12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002977007536
                2s
                   +0 :              -0.00026054774387
                3s
                   +0 :               0.00005767106806
                2p
                   -1 :               0.00010160704377
                   +0 :              -0.00012136960720
                   +1 :              -0.00020815116810
                3p
                   -1 :              -0.00001647021371
                   +0 :               0.00001897105632
                   +1 :               0.00010885234339
                3d
                   -2 :              -0.00000065002874
                   -1 :               0.00000148125590
                   +0 :              -0.00000645702426
                   +1 :               0.00000243693516
                   +2 :               0.00000725925781
             15 vec=    -7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00004064669063
                2s
                   +0 :               0.00037428187207
                3s
                   +0 :              -0.00008993989179
                2p
                   -1 :               0.00006553523191
                   +0 :              -0.00010883090021
                   +1 :              -0.00008921100398
                3p
                   -1 :              -0.00003402972517
                   +0 :               0.00002141858855
                   +1 :               0.00002792704096
                3d
                   -2 :              -0.00000505302287
                   -1 :               0.00000480588844
                   +0 :              -0.00000090518108
                   +1 :               0.00000241261483
                   +2 :               0.00000437849148
             16 vec=    -7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000374571569
                2s
                   +0 :               0.00003889404890
                3s
                   +0 :              -0.00002561140595
                2p
                   -1 :               0.00003929594697
                   +0 :              -0.00000189454479
                   +1 :              -0.00010111896545
                3p
                   -1 :              -0.00002559797866
                   +0 :               0.00002082683690
                   +1 :               0.00009606258391
                3d
                   -2 :               0.00001245593373
                   -1 :              -0.00000354036061
                   +0 :              -0.00000177738704
                   +1 :               0.00001018295529
                   +2 :              -0.00000253433879
             17 vec=     7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001859422471
                2s
                   +0 :               0.00016671876854
                3s
                   +0 :              -0.00005871789970
                2p
                   -1 :              -0.00002439325955
                   +0 :              -0.00004452084204
                   +1 :               0.00012136376122
                3p
                   -1 :              -0.00000044436731
                   +0 :               0.00000946971857
                   +1 :              -0.00008703421527
                3d
                   -2 :              -0.00001273876579
                   -1 :               0.00000431433247
                   +0 :              -0.00000112369155
                   +1 :               0.00000832309413
                   +2 :              -0.00000463456852
             18 vec=     7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000290656526
                2s
                   +0 :              -0.00010844180921
                3s
                   +0 :              -0.00004133816755
                2p
                   -1 :              -0.00008945512537
                   +0 :               0.00005668027813
                   +1 :              -0.00005306234024
                3p
                   -1 :               0.00002212898623
                   +0 :              -0.00004476392337
                   +1 :               0.00003227002957
                3d
                   -2 :               0.00000516615228
                   -1 :              -0.00001000774274
                   +0 :              -0.00000822723459
                   +1 :               0.00000458135361
                   +2 :               0.00000303703630
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 22)  npairs=  12
              1 vec=    -2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00452564343184
                2s
                   +0 :               0.10648570948053
                3s
                   +0 :              -0.00969584497938
                2p
                   -1 :               0.05348853881004
                   +0 :               0.00664081441366
                   +1 :              -0.04974034299902
                3p
                   -1 :              -0.00581617853854
                   +0 :              -0.00396551053123
                   +1 :               0.01058004932075
                3d
                   -2 :              -0.00253863652636
                   -1 :               0.00058852482615
                   +0 :              -0.00189331954015
                   +1 :               0.00083567764448
                   +2 :              -0.00245583094912
              2 vec=    -2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00085318093893
                2s
                   +0 :              -0.04163198479186
                3s
                   +0 :              -0.00096429167136
                2p
                   -1 :               0.03082579000024
                   +0 :              -0.00295155750132
                   +1 :               0.02076259855763
                3p
                   -1 :               0.00254771654843
                   +0 :               0.00232086033310
                   +1 :              -0.00340916843458
                3d
                   -2 :              -0.00211659107399
                   -1 :              -0.00077278189419
                   +0 :               0.00140945023381
                   +1 :              -0.00028023425927
                   +2 :               0.00143608715421
              3 vec=     5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00074652646914
                2s
                   +0 :               0.00017871915630
                3s
                   +0 :              -0.00527711159105
                2p
                   -1 :              -0.00084784334619
                   +0 :              -0.00360045684756
                   +1 :              -0.00025095299443
                3p
                   -1 :              -0.00031576346788
                   +0 :               0.00000203742546
                   +1 :              -0.00436069345107
                3d
                   -2 :              -0.00054933307637
                   -1 :              -0.00054428839870
                   +0 :               0.00127796925319
                   +1 :               0.00056400214453
                   +2 :              -0.00181684941482
              4 vec=   -10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00011155425128
                2s
                   +0 :              -0.00033737215778
                3s
                   +0 :               0.00036047570779
                2p
                   -1 :              -0.00098218807249
                   +0 :              -0.00011826915279
                   +1 :               0.00008731410478
                3p
                   -1 :               0.00055665899941
                   +0 :              -0.00005591215305
                   +1 :               0.00058059504221
                3d
                   -2 :               0.00004300217995
                   -1 :              -0.00001638298836
                   +0 :               0.00024171349538
                   +1 :              -0.00000694672585
                   +2 :              -0.00007770576882
              5 vec=     5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00036072119473
                2s
                   +0 :               0.00391879116553
                3s
                   +0 :              -0.00009647067358
                2p
                   -1 :               0.00252877978056
                   +0 :              -0.00035128656924
                   +1 :               0.00283821483195
                3p
                   -1 :               0.00026202565603
                   +0 :               0.00052548049105
                   +1 :               0.00015942479401
                3d
                   -2 :               0.00029589970001
                   -1 :               0.00010641455616
                   +0 :              -0.00015517313659
                   +1 :              -0.00007622935706
                   +2 :              -0.00005395458233
              6 vec=     5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00076058648751
                2s
                   +0 :              -0.00677285506320
                3s
                   +0 :               0.00169627430719
                2p
                   -1 :               0.00404467672373
                   +0 :              -0.00163718806801
                   +1 :              -0.00271711625512
                3p
                   -1 :              -0.00128921441504
                   +0 :               0.00103359610706
                   +1 :               0.00044017882844
                3d
                   -2 :               0.00013219700646
                   -1 :              -0.00007743864030
                   +0 :               0.00010696669319
                   +1 :              -0.00007712008949
                   +2 :              -0.00000274909401
              7 vec=   -10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00004840833632
                2s
                   +0 :               0.00087872709111
                3s
                   +0 :               0.00007241513940
                2p
                   -1 :              -0.00066817742725
                   +0 :              -0.00000956777865
                   +1 :              -0.00095306902298
                3p
                   -1 :               0.00034196922957
                   +0 :               0.00008438302205
                   +1 :              -0.00002725663727
                3d
                   -2 :              -0.00000953778255
                   -1 :               0.00002792069349
                   +0 :              -0.00004153717007
                   +1 :               0.00000950498008
                   +2 :               0.00001619110052
              8 vec=    -2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00009573750146
                2s
                   +0 :               0.00132909385471
                3s
                   +0 :              -0.00009521627761
                2p
                   -1 :               0.00022421828043
                   +0 :              -0.00008458926929
                   +1 :              -0.00000201234810
                3p
                   -1 :               0.00025699342898
                   +0 :               0.00020736870480
                   +1 :              -0.00007315786379
                3d
                   -2 :              -0.00003637324772
                   -1 :              -0.00000329534957
                   +0 :              -0.00006170253946
                   +1 :               0.00000882631854
                   +2 :              -0.00000494356237
              9 vec=   -10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00008046651513
                2s
                   +0 :              -0.00076339291377
                3s
                   +0 :               0.00029361475910
                2p
                   -1 :               0.00014838744791
                   +0 :              -0.00021705534821
                   +1 :               0.00072872274552
                3p
                   -1 :              -0.00026807256264
                   +0 :               0.00011146535263
                   +1 :              -0.00031725489681
                3d
                   -2 :               0.00001957963333
                   -1 :               0.00001793451043
                   +0 :              -0.00002879940996
                   +1 :              -0.00000994080875
                   +2 :              -0.00001249073778
             10 vec=    13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00006460173773
                2s
                   +0 :               0.00058515831555
                3s
                   +0 :              -0.00016779447445
                2p
                   -1 :              -0.00035315155609
                   +0 :              -0.00014388784592
                   +1 :               0.00038262781831
                3p
                   -1 :               0.00004069680770
                   +0 :              -0.00001741556953
                   +1 :              -0.00008695264398
                3d
                   -2 :               0.00000349066340
                   -1 :              -0.00001524741833
                   +0 :               0.00003640856994
                   +1 :              -0.00003028663000
                   +2 :               0.00003850578370
             11 vec=    -2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00014433852912
                2s
                   +0 :              -0.00166232750946
                3s
                   +0 :               0.00024475791868
                2p
                   -1 :               0.00093737766921
                   +0 :               0.00000824105947
                   +1 :               0.00015106210059
                3p
                   -1 :              -0.00007535180888
                   +0 :              -0.00006419127161
                   +1 :               0.00006358108144
                3d
                   -2 :              -0.00001905891665
                   -1 :              -0.00001804150063
                   +0 :               0.00000396967919
                   +1 :              -0.00003520446631
                   +2 :               0.00001819519719
             12 vec=    13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00004960406210
                2s
                   +0 :              -0.00045164459621
                3s
                   +0 :               0.00014645470509
                2p
                   -1 :               0.00080708885200
                   +0 :              -0.00021628827236
                   +1 :              -0.00026094697477
                3p
                   -1 :              -0.00048360227007
                   +0 :               0.00004065585232
                   +1 :               0.00016570950237
                3d
                   -2 :              -0.00003244371359
                   -1 :               0.00001103597012
                   +0 :               0.00000012895345
                   +1 :               0.00001988323567
                   +2 :              -0.00000858362382
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 23)  npairs=  12
              1 vec=     2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00319088771571
                2s
                   +0 :               0.09166999618403
                3s
                   +0 :              -0.00807203779624
                2p
                   -1 :               0.05577043254391
                   +0 :              -0.00034983137011
                   +1 :               0.04688062105377
                3p
                   -1 :              -0.01033828258878
                   +0 :               0.00193524295183
                   +1 :              -0.00826633366618
                3d
                   -2 :               0.00221057819145
                   -1 :              -0.00023372536154
                   +0 :              -0.00142028269347
                   +1 :               0.00074066471240
                   +2 :              -0.00119596764004
              2 vec=    -5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00161984250621
                2s
                   +0 :               0.00395668225387
                3s
                   +0 :              -0.00651395704404
                2p
                   -1 :              -0.00740225440349
                   +0 :              -0.00133008620288
                   +1 :               0.00373796537736
                3p
                   -1 :               0.00029131855544
                   +0 :               0.00229678221150
                   +1 :               0.00269825680118
                3d
                   -2 :               0.00061550930297
                   -1 :               0.00010815734783
                   +0 :               0.00034946823282
                   +1 :              -0.00013329859534
                   +2 :              -0.00060907835695
              3 vec=     2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00249739500693
                2s
                   +0 :              -0.04142955759780
                3s
                   +0 :               0.00240628183419
                2p
                   -1 :               0.01801476202363
                   +0 :               0.00113909068377
                   +1 :              -0.01257086880919
                3p
                   -1 :               0.00178520159712
                   +0 :              -0.00235411653936
                   +1 :               0.00167250942447
                3d
                   -2 :               0.00125572927059
                   -1 :              -0.00026631412578
                   +0 :               0.00078441630403
                   +1 :              -0.00064558076194
                   +2 :               0.00140317802172
              4 vec=    -5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00044321387082
                2s
                   +0 :               0.00539444020321
                3s
                   +0 :              -0.00006412887635
                2p
                   -1 :               0.00749947028879
                   +0 :               0.00028214359791
                   +1 :              -0.00590936439607
                3p
                   -1 :              -0.00039861522494
                   +0 :              -0.00027439070907
                   +1 :               0.00035665418358
                3d
                   -2 :              -0.00035885072063
                   -1 :              -0.00012909545919
                   +0 :              -0.00021126424506
                   +1 :               0.00009167573334
                   +2 :              -0.00014160698858
              5 vec=    10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00075588295794
                2s
                   +0 :              -0.00635431936924
                3s
                   +0 :               0.00148871865121
                2p
                   -1 :              -0.00266513426947
                   +0 :              -0.00012575532799
                   +1 :              -0.00261241630925
                3p
                   -1 :               0.00170691576819
                   +0 :               0.00008509231678
                   +1 :               0.00000492846803
                3d
                   -2 :               0.00005328415335
                   -1 :               0.00001614784471
                   +0 :               0.00032391826182
                   +1 :              -0.00008232752330
                   +2 :              -0.00033218351937
              6 vec=    -5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00073320778870
                2s
                   +0 :              -0.00648308072597
                3s
                   +0 :               0.00166097798378
                2p
                   -1 :               0.00237238193270
                   +0 :               0.00077053229017
                   +1 :               0.00273268973728
                3p
                   -1 :              -0.00031735747402
                   +0 :              -0.00058012497559
                   +1 :              -0.00077846277380
                3d
                   -2 :               0.00004282310059
                   -1 :               0.00004134722756
                   +0 :              -0.00003009896177
                   +1 :              -0.00003642451817
                   +2 :              -0.00001344449311
              7 vec=     2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00004789893844
                2s
                   +0 :               0.00099110281966
                3s
                   +0 :              -0.00001015141357
                2p
                   -1 :               0.00058029277163
                   +0 :               0.00029203287690
                   +1 :               0.00021663512703
                3p
                   -1 :               0.00023811985619
                   +0 :              -0.00013526712095
                   +1 :               0.00019211967404
                3d
                   -2 :               0.00005111514763
                   -1 :              -0.00003887626330
                   +0 :              -0.00003811026252
                   +1 :              -0.00000140878243
                   +2 :              -0.00001742548016
              8 vec=    10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00007820904650
                2s
                   +0 :               0.00078480287168
                3s
                   +0 :              -0.00001842407292
                2p
                   -1 :              -0.00020949877507
                   +0 :               0.00014799949576
                   +1 :              -0.00002786275617
                3p
                   -1 :               0.00013827905038
                   +0 :               0.00010192553502
                   +1 :               0.00031711404363
                3d
                   -2 :              -0.00002027105127
                   -1 :              -0.00000502530176
                   +0 :              -0.00003835554324
                   +1 :               0.00005523198243
                   +2 :               0.00003098304731
              9 vec=   -13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00003882829599
                2s
                   +0 :               0.00047935007053
                3s
                   +0 :              -0.00006862214278
                2p
                   -1 :              -0.00018271073712
                   +0 :              -0.00019269497791
                   +1 :              -0.00047444854966
                3p
                   -1 :               0.00001101458177
                   +0 :               0.00016372123456
                   +1 :               0.00016336141738
                3d
                   -2 :               0.00000986785690
                   -1 :               0.00000435667563
                   +0 :               0.00000639043542
                   +1 :               0.00000139398746
                   +2 :              -0.00000328384433
             10 vec=    10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00005284902217
                2s
                   +0 :              -0.00050424114137
                3s
                   +0 :               0.00014445720917
                2p
                   -1 :              -0.00017894247780
                   +0 :              -0.00033139822473
                   +1 :              -0.00038328807421
                3p
                   -1 :               0.00007106169982
                   +0 :              -0.00009519137282
                   +1 :              -0.00004426027443
                3d
                   -2 :               0.00000226966155
                   -1 :              -0.00000083475400
                   +0 :               0.00004278616320
                   +1 :              -0.00002517954990
                   +2 :              -0.00001832168260
             11 vec=   -13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00006122545871
                2s
                   +0 :              -0.00054414762089
                3s
                   +0 :               0.00016640087050
                2p
                   -1 :               0.00004491842821
                   +0 :               0.00007939303610
                   +1 :               0.00030885789303
                3p
                   -1 :              -0.00002014840436
                   +0 :              -0.00008465906044
                   +1 :              -0.00013575794835
                3d
                   -2 :               0.00000810119430
                   -1 :              -0.00001400121383
                   +0 :              -0.00001355463962
                   +1 :               0.00000492158607
                   +2 :               0.00000319265695
             12 vec=     2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00009616733859
                2s
                   +0 :              -0.00107061422775
                3s
                   +0 :               0.00015884081364
                2p
                   -1 :               0.00057248320986
                   +0 :               0.00003829328757
                   +1 :              -0.00017458084188
                3p
                   -1 :              -0.00010209638822
                   +0 :              -0.00011740330095
                   +1 :               0.00008096832574
                3d
                   -2 :              -0.00000242367857
                   -1 :               0.00002776259590
                   +0 :               0.00004369611073
                   +1 :              -0.00001602043037
                   +2 :              -0.00000158723133
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 24)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00251091527151
                2s
                   +0 :               0.05663994629734
                3s
                   +0 :              -0.00114515372862
                2p
                   -1 :               0.89133545032856
                   +0 :              -0.00911202022226
                   +1 :              -0.02122511816791
                3p
                   -1 :              -0.04196797042438
                   +0 :               0.00411876704076
                   +1 :               0.00879616588289
                3d
                   -2 :              -0.00312053796671
                   -1 :              -0.00197206357710
                   +0 :               0.00050625181617
                   +1 :              -0.00150750428785
                   +2 :              -0.00498449289731
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00032559036605
                2s
                   +0 :               0.00289895158833
                3s
                   +0 :              -0.00150464886664
                2p
                   -1 :              -0.00313927086456
                   +0 :               0.00051799457277
                   +1 :              -0.00146841705364
                3p
                   -1 :               0.00200236688036
                   +0 :              -0.00061324961424
                   +1 :               0.00150955240653
                3d
                   -2 :              -0.00012953801387
                   -1 :               0.00006430688644
                   +0 :               0.00004769654561
                   +1 :               0.00002655758418
                   +2 :              -0.00003619854707
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00011030276559
                2s
                   +0 :               0.00127174934611
                3s
                   +0 :               0.00024364796247
                2p
                   -1 :               0.00143922027723
                   +0 :              -0.00013541986225
                   +1 :              -0.00196164791604
                3p
                   -1 :              -0.00151399087550
                   +0 :               0.00042205870376
                   +1 :              -0.00030782293983
                3d
                   -2 :               0.00012609703920
                   -1 :               0.00002369858692
                   +0 :              -0.00020785778037
                   +1 :              -0.00027046385288
                   +2 :               0.00020708767817
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00069692154361
                2s
                   +0 :              -0.00405337730804
                3s
                   +0 :               0.00041267580580
                2p
                   -1 :               0.00291659130988
                   +0 :              -0.00159646468927
                   +1 :              -0.00180355442140
                3p
                   -1 :              -0.00004691037479
                   +0 :               0.00045376256960
                   +1 :               0.00114945224709
                3d
                   -2 :              -0.00010878971197
                   -1 :               0.00009170007890
                   +0 :               0.00012618981904
                   +1 :               0.00028133030136
                   +2 :              -0.00015107687806
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00029510215366
                2s
                   +0 :               0.00248072992982
                3s
                   +0 :              -0.00027855752237
                2p
                   -1 :               0.00458117594169
                   +0 :               0.00088042415383
                   +1 :               0.00271263235834
                3p
                   -1 :              -0.00186390886649
                   +0 :              -0.00018949714123
                   +1 :              -0.00032410031945
                3d
                   -2 :               0.00008732315184
                   -1 :              -0.00000919807513
                   +0 :              -0.00004432941046
                   +1 :              -0.00018824466681
                   +2 :               0.00006416712606
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00019832880031
                2s
                   +0 :               0.00102305841463
                3s
                   +0 :              -0.00063491388061
                2p
                   -1 :              -0.00037895268239
                   +0 :              -0.00042474790866
                   +1 :               0.00160244975688
                3p
                   -1 :               0.00062583309126
                   +0 :              -0.00056037456315
                   +1 :              -0.00129604297499
                3d
                   -2 :               0.00005992577551
                   -1 :              -0.00005891552445
                   +0 :              -0.00008287436944
                   +1 :              -0.00006101988862
                   +2 :               0.00016804733204
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00031634181470
                2s
                   +0 :              -0.00204186271224
                3s
                   +0 :               0.00127103427813
                2p
                   -1 :              -0.00218530593521
                   +0 :              -0.00087283438526
                   +1 :               0.00274214950945
                3p
                   -1 :               0.00072866299767
                   +0 :               0.00112588578886
                   +1 :               0.00091874778452
                3d
                   -2 :              -0.00001004771041
                   -1 :               0.00000799164701
                   +0 :              -0.00010443248482
                   +1 :              -0.00001024493927
                   +2 :               0.00025667532632
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001170320798
                2s
                   +0 :               0.00009568779520
                3s
                   +0 :              -0.00000420401304
                2p
                   -1 :              -0.00015149206649
                   +0 :               0.00005753763210
                   +1 :               0.00009163797251
                3p
                   -1 :               0.00003049921125
                   +0 :               0.00001396919468
                   +1 :              -0.00008681287338
                3d
                   -2 :               0.00000602013557
                   -1 :               0.00001168243911
                   +0 :              -0.00000506422034
                   +1 :              -0.00001770963077
                   +2 :               0.00001481391539
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00007104523989
                2s
                   +0 :              -0.00093011694576
                3s
                   +0 :               0.00007100372084
                2p
                   -1 :               0.00082255857633
                   +0 :               0.00004499727710
                   +1 :               0.00033396603514
                3p
                   -1 :              -0.00029422221904
                   +0 :              -0.00015398772233
                   +1 :               0.00001520543614
                3d
                   -2 :              -0.00001846096993
                   -1 :               0.00002723050535
                   +0 :               0.00000403448802
                   +1 :               0.00003938793034
                   +2 :              -0.00002849245741
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00015659426612
                2s
                   +0 :               0.00159472253122
                3s
                   +0 :              -0.00026337283502
                2p
                   -1 :               0.00080091283895
                   +0 :              -0.00028282300196
                   +1 :              -0.00043267893127
                3p
                   -1 :              -0.00007331675952
                   +0 :               0.00018335669928
                   +1 :              -0.00006871011957
                3d
                   -2 :              -0.00003037798979
                   -1 :              -0.00001630771438
                   +0 :              -0.00001394459906
                   +1 :               0.00000367426676
                   +2 :               0.00000519862414
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00006970779696
                2s
                   +0 :              -0.00095157646771
                3s
                   +0 :               0.00010760434122
                2p
                   -1 :               0.00112033877320
                   +0 :              -0.00025841582650
                   +1 :              -0.00063689711441
                3p
                   -1 :              -0.00038102738261
                   +0 :               0.00014569661546
                   +1 :               0.00009823636506
                3d
                   -2 :               0.00001899962348
                   -1 :              -0.00002040397705
                   +0 :               0.00000281189991
                   +1 :               0.00003709764610
                   +2 :              -0.00000974984417
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00013605392455
                2s
                   +0 :               0.00124432463953
                3s
                   +0 :              -0.00032362183555
                2p
                   -1 :               0.00074303845621
                   +0 :               0.00028680263906
                   +1 :               0.00061079676434
                3p
                   -1 :              -0.00015704696151
                   +0 :              -0.00016661634094
                   +1 :              -0.00027482868976
                3d
                   -2 :               0.00001302955684
                   -1 :               0.00000825311811
                   +0 :              -0.00002139143497
                   +1 :              -0.00001584459127
                   +2 :              -0.00002829864381
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00008519084983
                2s
                   +0 :              -0.00088876815390
                3s
                   +0 :               0.00015234524147
                2p
                   -1 :              -0.00039446758123
                   +0 :              -0.00003641546974
                   +1 :              -0.00100098845751
                3p
                   -1 :               0.00021384079762
                   +0 :               0.00000537528360
                   +1 :               0.00027981619971
                3d
                   -2 :               0.00000113539252
                   -1 :              -0.00001418231154
                   +0 :               0.00000790482341
                   +1 :               0.00000589890423
                   +2 :              -0.00003142147698
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001773588849
                2s
                   +0 :              -0.00015366289353
                3s
                   +0 :               0.00004870184488
                2p
                   -1 :               0.00003579276432
                   +0 :               0.00001492205957
                   +1 :               0.00011549750088
                3p
                   -1 :              -0.00002682286220
                   +0 :              -0.00002607163921
                   +1 :              -0.00004209320580
                3d
                   -2 :               0.00000472455081
                   -1 :               0.00000009673160
                   +0 :               0.00000556777012
                   +1 :               0.00000324362587
                   +2 :              -0.00000257206165
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00003259783651
                2s
                   +0 :               0.00033167756327
                3s
                   +0 :              -0.00006124149499
                2p
                   -1 :               0.00006030084782
                   +0 :              -0.00004758285455
                   +1 :              -0.00018137021742
                3p
                   -1 :              -0.00004203837344
                   +0 :               0.00005142796952
                   +1 :               0.00002836685898
                3d
                   -2 :               0.00000567272903
                   -1 :               0.00000312993836
                   +0 :              -0.00000297926195
                   +1 :              -0.00001017935253
                   +2 :               0.00000101493075
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00003865806702
                2s
                   +0 :              -0.00042508480917
                3s
                   +0 :               0.00004103774645
                2p
                   -1 :               0.00027226254619
                   +0 :               0.00000027024266
                   +1 :              -0.00015788463359
                3p
                   -1 :              -0.00002763149450
                   +0 :              -0.00002867221785
                   +1 :               0.00005517696722
                3d
                   -2 :              -0.00000353937611
                   -1 :               0.00000372167002
                   +0 :               0.00000350132228
                   +1 :               0.00000960057556
                   +2 :              -0.00000354353736
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002976389692
                2s
                   +0 :               0.00030524921386
                3s
                   +0 :              -0.00004157312765
                2p
                   -1 :               0.00027692160406
                   +0 :               0.00004271558653
                   +1 :               0.00008644088410
                3p
                   -1 :              -0.00006776220664
                   +0 :               0.00000322803971
                   +1 :              -0.00005840404735
                3d
                   -2 :              -0.00000753100118
                   -1 :              -0.00000517923722
                   +0 :              -0.00000627250143
                   +1 :               0.00000364389325
                   +2 :               0.00000449840035
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000007103075
                2s
                   +0 :              -0.00006488775927
                3s
                   +0 :              -0.00002112922994
                2p
                   -1 :              -0.00000387824564
                   +0 :              -0.00005762367555
                   +1 :              -0.00021229700775
                3p
                   -1 :               0.00002216767565
                   +0 :               0.00001491722168
                   +1 :               0.00006498770709
                3d
                   -2 :               0.00000325535869
                   -1 :               0.00000156194794
                   +0 :               0.00000083482902
                   +1 :               0.00000431438695
                   +2 :               0.00000006346769
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000677636770
                2s
                   +0 :               0.00007473205334
                3s
                   +0 :              -0.00001532534080
                2p
                   -1 :              -0.00000711963088
                   +0 :              -0.00001967961452
                   +1 :               0.00009772680089
                3p
                   -1 :               0.00000035430710
                   +0 :               0.00002528443024
                   +1 :               0.00001040467164
                3d
                   -2 :               0.00000036027888
                   -1 :               0.00000483941263
                   +0 :               0.00000262595195
                   +1 :              -0.00000537341588
                   +2 :              -0.00000028278086
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 25)  npairs=  14
              1 vec=    -0.209805     -3.115717     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00171807293277
                2s
                   +0 :              -0.04401568504775
                3s
                   +0 :               0.00261526221280
                2p
                   -1 :               0.01344592329892
                   +0 :               0.02511937749447
                   +1 :              -0.00185780707849
                3p
                   -1 :              -0.00167211359055
                   +0 :               0.00036451039993
                   +1 :               0.00181586690057
                3d
                   -2 :              -0.00022810284044
                   -1 :              -0.00197088930177
                   +0 :              -0.00179352857887
                   +1 :              -0.00052119611895
                   +2 :               0.00048923147993
              2 vec=    -0.209805      5.868041     -4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00185412385416
                2s
                   +0 :               0.01220677880802
                3s
                   +0 :              -0.00602454027997
                2p
                   -1 :               0.01180683396696
                   +0 :              -0.00104839968984
                   +1 :               0.00083301405164
                3p
                   -1 :              -0.00871107687842
                   +0 :              -0.00023053739849
                   +1 :              -0.00072092309248
                3d
                   -2 :              -0.00011280869091
                   -1 :               0.00023914558553
                   +0 :               0.00024726367871
                   +1 :              -0.00007983025195
                   +2 :               0.00054313749549
              3 vec=     7.570358      1.376162     -4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00005954763441
                2s
                   +0 :               0.00014710462719
                3s
                   +0 :               0.00000263366834
                2p
                   -1 :               0.00002509001391
                   +0 :               0.00262103562320
                   +1 :               0.00312892298872
                3p
                   -1 :              -0.00037475752814
                   +0 :              -0.00143395593478
                   +1 :              -0.00090639259448
                3d
                   -2 :              -0.00005774365868
                   -1 :               0.00019629054003
                   +0 :              -0.00011408604571
                   +1 :              -0.00005067695853
                   +2 :               0.00012330283910
              4 vec=    -7.989968      1.376162     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00009475377465
                2s
                   +0 :               0.00109429989851
                3s
                   +0 :              -0.00018148012164
                2p
                   -1 :              -0.00064835148253
                   +0 :               0.00090875544657
                   +1 :              -0.00416067909019
                3p
                   -1 :               0.00029589640103
                   +0 :              -0.00002780480950
                   +1 :               0.00295162308503
                3d
                   -2 :               0.00001015277671
                   -1 :              -0.00003864943512
                   +0 :              -0.00002188753066
                   +1 :              -0.00007670817981
                   +2 :              -0.00005556267993
              5 vec=     7.570358     -7.607596     -4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00018672731875
                2s
                   +0 :              -0.00175497943544
                3s
                   +0 :               0.00051696133604
                2p
                   -1 :               0.00048884551275
                   +0 :               0.00009601339223
                   +1 :              -0.00144293359150
                3p
                   -1 :              -0.00037829332532
                   +0 :               0.00008101592240
                   +1 :               0.00081416301648
                3d
                   -2 :              -0.00004563489766
                   -1 :              -0.00007240778598
                   +0 :              -0.00000048601293
                   +1 :              -0.00000937006792
                   +2 :               0.00004199929456
              6 vec=    -7.989968     -7.607596     -4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00005323428362
                2s
                   +0 :              -0.00043313884045
                3s
                   +0 :               0.00007671961255
                2p
                   -1 :              -0.00091739425950
                   +0 :               0.00018709973389
                   +1 :               0.00031173802190
                3p
                   -1 :               0.00067553146870
                   +0 :              -0.00007596198808
                   +1 :              -0.00002800496873
                3d
                   -2 :              -0.00007619368147
                   -1 :               0.00004777748873
                   +0 :               0.00002792677742
                   +1 :              -0.00001173314483
                   +2 :               0.00003090899352
              7 vec=    -0.209805    -12.099475     -4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00009090314645
                2s
                   +0 :              -0.00141961769664
                3s
                   +0 :               0.00017573367946
                2p
                   -1 :               0.00024537937186
                   +0 :              -0.00010530839430
                   +1 :              -0.00012673896331
                3p
                   -1 :              -0.00002236869937
                   +0 :               0.00014792323960
                   +1 :               0.00011753949057
                3d
                   -2 :              -0.00003862271959
                   -1 :               0.00000925379907
                   +0 :              -0.00003031677875
                   +1 :               0.00003292418212
                   +2 :              -0.00002051532524
              8 vec=     7.570358     10.359920     -4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00009089548442
                2s
                   +0 :               0.00121142999563
                3s
                   +0 :              -0.00007995862034
                2p
                   -1 :              -0.00018921166768
                   +0 :              -0.00048687817736
                   +1 :               0.00072657956811
                3p
                   -1 :               0.00031855206765
                   +0 :               0.00003886879364
                   +1 :              -0.00046469086299
                3d
                   -2 :               0.00002050431512
                   -1 :              -0.00002315476185
                   +0 :               0.00002534621300
                   +1 :              -0.00002748557479
                   +2 :              -0.00002610712116
              9 vec=    -7.989968     10.359920     -4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00012229201862
                2s
                   +0 :               0.00126991344861
                3s
                   +0 :              -0.00018918063892
                2p
                   -1 :               0.00033436594339
                   +0 :              -0.00055461188419
                   +1 :              -0.00011999414187
                3p
                   -1 :              -0.00022580408258
                   +0 :               0.00012197316810
                   +1 :              -0.00010070523257
                3d
                   -2 :               0.00002170505792
                   -1 :               0.00002178598911
                   +0 :               0.00002508563747
                   +1 :               0.00002686714008
                   +2 :               0.00001316558063
             10 vec=    -0.209805     14.851799     -4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00006190555348
                2s
                   +0 :               0.00053621735349
                3s
                   +0 :              -0.00010388482189
                2p
                   -1 :               0.00024374128733
                   +0 :              -0.00010849765387
                   +1 :              -0.00005719930033
                3p
                   -1 :              -0.00003795361344
                   +0 :               0.00005672659787
                   +1 :               0.00009434155249
                3d
                   -2 :               0.00001861372618
                   -1 :               0.00000683484487
                   +0 :              -0.00000259693480
                   +1 :              -0.00000270491442
                   +2 :              -0.00000836481487
             11 vec=    15.350520     -3.115717     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00002321507738
                2s
                   +0 :              -0.00025522572033
                3s
                   +0 :               0.00006949842354
                2p
                   -1 :               0.00007907574879
                   +0 :              -0.00001570557035
                   +1 :              -0.00014488321392
                3p
                   -1 :              -0.00005223810935
                   +0 :               0.00003404228816
                   +1 :               0.00002343920616
                3d
                   -2 :              -0.00000392324423
                   -1 :              -0.00000498380114
                   +0 :               0.00000889394739
                   +1 :              -0.00000278816084
                   +2 :              -0.00000402695811
             12 vec=   -15.770130     -3.115717     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00000506780812
                2s
                   +0 :               0.00005435197936
                3s
                   +0 :              -0.00000602295110
                2p
                   -1 :              -0.00005584732093
                   +0 :              -0.00002678914325
                   +1 :               0.00002447159487
                3p
                   -1 :              -0.00000354327646
                   +0 :               0.00003058928832
                   +1 :              -0.00002129302712
                3d
                   -2 :              -0.00000488968653
                   -1 :               0.00000480395133
                   +0 :               0.00000387149923
                   +1 :              -0.00000484847477
                   +2 :              -0.00000079897812
             13 vec=    15.350520      5.868041     -4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00002015877164
                2s
                   +0 :               0.00016142304595
                3s
                   +0 :              -0.00003907694087
                2p
                   -1 :               0.00001365421390
                   +0 :              -0.00005995285797
                   +1 :               0.00007407022725
                3p
                   -1 :              -0.00001071200975
                   +0 :              -0.00000086991731
                   +1 :              -0.00001586431062
                3d
                   -2 :               0.00000507522354
                   -1 :               0.00000005914849
                   +0 :               0.00000247618354
                   +1 :               0.00000005197615
                   +2 :              -0.00000137229948
             14 vec=   -15.770130      5.868041     -4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000495699062
                2s
                   +0 :               0.00013173999367
                3s
                   +0 :               0.00002072187997
                2p
                   -1 :              -0.00007159594472
                   +0 :               0.00004464286766
                   +1 :              -0.00004510327836
                3p
                   -1 :               0.00007911865919
                   +0 :              -0.00004658646630
                   +1 :              -0.00003130145310
                3d
                   -2 :              -0.00000761232142
                   -1 :              -0.00000145069060
                   +0 :               0.00000063509760
                   +1 :               0.00000164776607
                   +2 :              -0.00000294104816
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 26)  npairs=  14
              1 vec=     2.803193      1.376162     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00112656263912
                2s
                   +0 :               0.00912567415206
                3s
                   +0 :               0.00364055298078
                2p
                   -1 :              -0.00195045789856
                   +0 :              -0.01042143582349
                   +1 :               0.00091202351901
                3p
                   -1 :              -0.00117147870510
                   +0 :               0.00106104169685
                   +1 :               0.00794310253451
                3d
                   -2 :              -0.00022343944359
                   -1 :               0.00019090873170
                   +0 :              -0.00020542049556
                   +1 :              -0.00138260449748
                   +2 :               0.00103296888197
              2 vec=    -4.976970     -3.115717     -4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00072590211359
                2s
                   +0 :              -0.00698503912907
                3s
                   +0 :               0.00318918721069
                2p
                   -1 :               0.00743789078842
                   +0 :               0.00796776241793
                   +1 :               0.00857819846511
                3p
                   -1 :              -0.00690195123138
                   +0 :              -0.00504560828121
                   +1 :              -0.00589761575005
                3d
                   -2 :               0.00060240072675
                   -1 :               0.00045124800186
                   +0 :               0.00019291946009
                   +1 :               0.00057805686148
                   +2 :               0.00017910808369
              3 vec=    -4.976970      5.868041     -4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00029667400308
                2s
                   +0 :               0.00244051241132
                3s
                   +0 :              -0.00042479660633
                2p
                   -1 :              -0.00062695879905
                   +0 :              -0.00337354898948
                   +1 :              -0.00205033349106
                3p
                   -1 :               0.00025940434758
                   +0 :              -0.00000440528901
                   +1 :               0.00065236194219
                3d
                   -2 :               0.00003455692478
                   -1 :               0.00011902303878
                   +0 :               0.00025471305246
                   +1 :               0.00018004989479
                   +2 :              -0.00003121881779
              4 vec=     2.803193     -7.607596     -4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00063979723638
                2s
                   +0 :              -0.00605989868330
                3s
                   +0 :               0.00082942965466
                2p
                   -1 :               0.00227465047711
                   +0 :               0.00292173762738
                   +1 :               0.00148829357610
                3p
                   -1 :              -0.00085788214327
                   +0 :              -0.00035202695324
                   +1 :              -0.00193900327509
                3d
                   -2 :               0.00008345152621
                   -1 :              -0.00015045981188
                   +0 :              -0.00017240615884
                   +1 :               0.00004148302311
                   +2 :               0.00009965568685
              5 vec=     2.803193     10.359920     -4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00021304259080
                2s
                   +0 :              -0.00078281932348
                3s
                   +0 :               0.00081095067231
                2p
                   -1 :              -0.00105700044885
                   +0 :              -0.00059088978304
                   +1 :              -0.00069418909677
                3p
                   -1 :               0.00129236192975
                   +0 :               0.00015848053597
                   +1 :               0.00077629681072
                3d
                   -2 :               0.00007291177415
                   -1 :               0.00002662989659
                   +0 :               0.00000331175656
                   +1 :               0.00004256164773
                   +2 :              -0.00001759209888
              6 vec=    10.583355     -3.115717     -4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00002581715262
                2s
                   +0 :              -0.00038681975957
                3s
                   +0 :              -0.00006129310264
                2p
                   -1 :               0.00041826704846
                   +0 :               0.00044802357501
                   +1 :              -0.00006247963820
                3p
                   -1 :              -0.00035189890514
                   +0 :              -0.00033986598278
                   +1 :              -0.00025019115624
                3d
                   -2 :               0.00000456848215
                   -1 :              -0.00001113655664
                   +0 :               0.00008372815062
                   +1 :               0.00000153266293
                   +2 :              -0.00008699971414
              7 vec=    10.583355      5.868041     -4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00007019854198
                2s
                   +0 :              -0.00014878016704
                3s
                   +0 :               0.00027684475308
                2p
                   -1 :              -0.00012959466402
                   +0 :              -0.00017375518516
                   +1 :              -0.00052383250281
                3p
                   -1 :               0.00016480545175
                   +0 :               0.00003950519626
                   +1 :               0.00052832230405
                3d
                   -2 :               0.00000622222592
                   -1 :              -0.00003245706992
                   +0 :              -0.00001734934255
                   +1 :              -0.00000648550793
                   +2 :              -0.00000051368553
              8 vec=   -12.757133      1.376162     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00001483728146
                2s
                   +0 :               0.00017086823192
                3s
                   +0 :               0.00008964074915
                2p
                   -1 :               0.00045002811940
                   +0 :              -0.00015361906616
                   +1 :               0.00015199111407
                3p
                   -1 :              -0.00041803866509
                   +0 :               0.00008913917213
                   +1 :              -0.00031865794050
                3d
                   -2 :               0.00004815290042
                   -1 :              -0.00000441455402
                   +0 :               0.00000090297465
                   +1 :              -0.00003126243521
                   +2 :               0.00001647334849
              9 vec=    -4.976970    -12.099475     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00007120338732
                2s
                   +0 :              -0.00128325175693
                3s
                   +0 :               0.00001340703435
                2p
                   -1 :               0.00086598716763
                   +0 :               0.00036790554615
                   +1 :               0.00054233128800
                3p
                   -1 :              -0.00045069558994
                   +0 :              -0.00009246653033
                   +1 :              -0.00028127337272
                3d
                   -2 :               0.00002199881338
                   -1 :               0.00003251776498
                   +0 :              -0.00001278869914
                   +1 :              -0.00001410671753
                   +2 :               0.00001867388788
             10 vec=   -12.757133     -7.607596     -4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00002876543867
                2s
                   +0 :               0.00013786581211
                3s
                   +0 :              -0.00014375892628
                2p
                   -1 :              -0.00014825579987
                   +0 :              -0.00001096435076
                   +1 :              -0.00017067082095
                3p
                   -1 :               0.00011366272974
                   +0 :               0.00003299780503
                   +1 :               0.00019758780311
                3d
                   -2 :              -0.00001032042330
                   -1 :              -0.00000068550914
                   +0 :              -0.00000498986446
                   +1 :              -0.00000964684749
                   +2 :              -0.00000957550665
             11 vec=    -4.976970     14.851799     -4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00002489786581
                2s
                   +0 :               0.00034705540607
                3s
                   +0 :               0.00001653734620
                2p
                   -1 :               0.00003470386408
                   +0 :              -0.00003520196916
                   +1 :              -0.00007326066204
                3p
                   -1 :               0.00016845124056
                   +0 :              -0.00006900049735
                   +1 :               0.00001881502360
                3d
                   -2 :              -0.00001190123246
                   -1 :              -0.00001143661248
                   +0 :              -0.00001674507258
                   +1 :               0.00000098139010
                   +2 :              -0.00001311990912
             12 vec=    10.583355    -12.099475     -4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00001638623229
                2s
                   +0 :              -0.00019915664586
                3s
                   +0 :               0.00003459558906
                2p
                   -1 :              -0.00007871880098
                   +0 :              -0.00014946331772
                   +1 :              -0.00006470205368
                3p
                   -1 :               0.00006441687594
                   +0 :               0.00009605186269
                   +1 :              -0.00004404540279
                3d
                   -2 :               0.00000790993035
                   -1 :               0.00000579066740
                   +0 :               0.00000600785853
                   +1 :              -0.00000394103867
                   +2 :               0.00000818018195
             13 vec=   -12.757133     10.359920     -4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00003221771896
                2s
                   +0 :               0.00030744362333
                3s
                   +0 :              -0.00004578808198
                2p
                   -1 :               0.00007114100012
                   +0 :               0.00007245728913
                   +1 :              -0.00006468864784
                3p
                   -1 :              -0.00003479218399
                   +0 :              -0.00007706071795
                   +1 :              -0.00001932341550
                3d
                   -2 :               0.00000190114667
                   -1 :              -0.00000418510189
                   +0 :               0.00000284933070
                   +1 :               0.00000765147996
                   +2 :               0.00000558307556
             14 vec=     2.803193    -16.591354     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00003040951147
                2s
                   +0 :              -0.00036326218847
                3s
                   +0 :               0.00003991430194
                2p
                   -1 :               0.00013797580733
                   +0 :              -0.00000691309323
                   +1 :               0.00015382292062
                3p
                   -1 :              -0.00002083120736
                   +0 :               0.00003186132632
                   +1 :              -0.00012849039852
                3d
                   -2 :               0.00000233848520
                   -1 :               0.00000282721771
                   +0 :              -0.00000129348611
                   +1 :               0.00000103019642
                   +2 :               0.00000550468976
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 27)  npairs=  14
              1 vec=    -2.593388      1.012769     -4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00090698494428
                2s
                   +0 :               0.02322620792907
                3s
                   +0 :              -0.00094739429394
                2p
                   -1 :              -0.00532950166938
                   +0 :              -0.01727163433671
                   +1 :              -0.00694291387326
                3p
                   -1 :              -0.00175381662689
                   +0 :               0.00429274922608
                   +1 :              -0.00358390924933
                3d
                   -2 :               0.00047917674681
                   -1 :               0.00117245569416
                   +0 :               0.00017298210609
                   +1 :               0.00076921092713
                   +2 :               0.00126895110793
              2 vec=     5.186775     -3.479110     -4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00020431546898
                2s
                   +0 :               0.00040630737250
                3s
                   +0 :              -0.00090644944460
                2p
                   -1 :              -0.00163945782404
                   +0 :              -0.00220488505281
                   +1 :              -0.00395045749247
                3p
                   -1 :               0.00145004058802
                   +0 :               0.00295019418194
                   +1 :               0.00240123586725
                3d
                   -2 :              -0.00013774096517
                   -1 :               0.00014268423009
                   +0 :              -0.00019686137765
                   +1 :              -0.00007640598630
                   +2 :               0.00004417753307
              3 vec=     5.186775      5.504648     -4.091257   |vec|=    8.598963
                1s
                   +0 :              -0.00054813363008
                2s
                   +0 :               0.00314015846327
                3s
                   +0 :              -0.00138506045389
                2p
                   -1 :               0.00113791250685
                   +0 :              -0.00289946831851
                   +1 :               0.00265564429919
                3p
                   -1 :              -0.00095390221254
                   +0 :               0.00042729548026
                   +1 :              -0.00171780060172
                3d
                   -2 :              -0.00018674529345
                   -1 :               0.00023833781731
                   +0 :               0.00029128242094
                   +1 :               0.00010788287085
                   +2 :              -0.00007844438286
              4 vec=    -2.593388     -7.970989     -4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00063327082761
                2s
                   +0 :              -0.00434798703883
                3s
                   +0 :               0.00129948121544
                2p
                   -1 :               0.00109816964188
                   +0 :               0.00212519649773
                   +1 :               0.00046042037683
                3p
                   -1 :               0.00003456935552
                   +0 :              -0.00075839599702
                   +1 :               0.00016172431262
                3d
                   -2 :              -0.00000229404775
                   -1 :               0.00003964420371
                   +0 :              -0.00006795358569
                   +1 :               0.00013349145957
                   +2 :              -0.00008478444018
              5 vec=    -2.593388      9.996527     -4.091257   |vec|=   11.108312
                1s
                   +0 :               0.00012553236737
                2s
                   +0 :               0.00016671773667
                3s
                   +0 :               0.00041045591805
                2p
                   -1 :               0.00138041584057
                   +0 :              -0.00069897907415
                   +1 :              -0.00100806167567
                3p
                   -1 :              -0.00063030263234
                   +0 :               0.00016729818258
                   +1 :               0.00088132271321
                3d
                   -2 :               0.00010260841612
                   -1 :              -0.00003392037977
                   +0 :               0.00015265688300
                   +1 :              -0.00001181494862
                   +2 :               0.00006644465556
              6 vec=   -10.373550     -3.479110     -4.091257   |vec|=   11.681316
                1s
                   +0 :              -0.00000884263048
                2s
                   +0 :               0.00009916931651
                3s
                   +0 :              -0.00011192540370
                2p
                   -1 :              -0.00004958970561
                   +0 :              -0.00016209646486
                   +1 :               0.00005701638425
                3p
                   -1 :              -0.00009839915761
                   +0 :               0.00011547719166
                   +1 :               0.00002718324545
                3d
                   -2 :              -0.00003700968890
                   -1 :               0.00004744122383
                   +0 :               0.00001252867516
                   +1 :              -0.00007078548143
                   +2 :              -0.00009192570461
              7 vec=   -10.373550      5.504648     -4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00009666003019
                2s
                   +0 :              -0.00029762175850
                3s
                   +0 :               0.00046985858192
                2p
                   -1 :              -0.00034128460339
                   +0 :               0.00010251650955
                   +1 :               0.00015571387706
                3p
                   -1 :               0.00033776502233
                   +0 :              -0.00013959834155
                   +1 :              -0.00028406576731
                3d
                   -2 :              -0.00002018833167
                   -1 :               0.00002225054593
                   +0 :              -0.00001709786379
                   +1 :              -0.00001076295127
                   +2 :              -0.00002186984340
              8 vec=    12.966938      1.012769     -4.091257   |vec|=   13.634719
                1s
                   +0 :               0.00001132247416
                2s
                   +0 :              -0.00022169294438
                3s
                   +0 :               0.00000567009291
                2p
                   -1 :              -0.00035351101085
                   +0 :               0.00059206975629
                   +1 :               0.00021314623897
                3p
                   -1 :               0.00005353718248
                   +0 :              -0.00023617646784
                   +1 :              -0.00003514469661
                3d
                   -2 :              -0.00001712213236
                   -1 :               0.00003859893800
                   +0 :              -0.00004221796157
                   +1 :               0.00000423223751
                   +2 :               0.00002763587146
              9 vec=     5.186775    -12.462868     -4.091257   |vec|=   14.105463
                1s
                   +0 :               0.00016509532028
                2s
                   +0 :              -0.00155400558874
                3s
                   +0 :               0.00032404162301
                2p
                   -1 :               0.00056448285428
                   +0 :              -0.00008439488538
                   +1 :              -0.00023913458770
                3p
                   -1 :              -0.00006622840709
                   +0 :               0.00009628467699
                   +1 :               0.00001545921695
                3d
                   -2 :               0.00000607296432
                   -1 :               0.00002326557946
                   +0 :               0.00000771474650
                   +1 :               0.00001079336054
                   +2 :              -0.00000582884521
             10 vec=    12.966938     -7.970989     -4.091257   |vec|=   15.761235
                1s
                   +0 :               0.00000659499293
                2s
                   +0 :              -0.00012600053434
                3s
                   +0 :              -0.00000298359805
                2p
                   -1 :              -0.00010533870369
                   +0 :              -0.00000518069343
                   +1 :              -0.00008107607862
                3p
                   -1 :               0.00009929814180
                   +0 :              -0.00003323191514
                   +1 :               0.00002095320638
                3d
                   -2 :               0.00001272132854
                   -1 :              -0.00000349349848
                   +0 :              -0.00000005308496
                   +1 :              -0.00001081274840
                   +2 :              -0.00000359586536
             11 vec=     5.186775     14.488406     -4.091257   |vec|=   15.923408
                1s
                   +0 :              -0.00009667809933
                2s
                   +0 :               0.00070415131789
                3s
                   +0 :              -0.00024340138818
                2p
                   -1 :               0.00042867508254
                   +0 :              -0.00013438953579
                   +1 :               0.00000802529224
                3p
                   -1 :              -0.00021665876334
                   +0 :               0.00008120833327
                   +1 :               0.00006359638289
                3d
                   -2 :               0.00000881247779
                   -1 :               0.00000915412889
                   +0 :              -0.00001622733636
                   +1 :              -0.00001322639600
                   +2 :               0.00001028001206
             12 vec=   -10.373550    -12.462868     -4.091257   |vec|=   16.723397
                1s
                   +0 :               0.00003034898718
                2s
                   +0 :              -0.00029345145729
                3s
                   +0 :               0.00006911298430
                2p
                   -1 :               0.00027819587823
                   +0 :               0.00009078926136
                   +1 :               0.00022573663004
                3p
                   -1 :              -0.00025016238762
                   +0 :              -0.00005289525594
                   +1 :              -0.00009246487285
                3d
                   -2 :               0.00001363836147
                   -1 :               0.00000910504372
                   +0 :              -0.00000639029914
                   +1 :              -0.00000286160419
                   +2 :              -0.00001093847344
             13 vec=    12.966938      9.996527     -4.091257   |vec|=   16.876327
                1s
                   +0 :              -0.00001658844195
                2s
                   +0 :               0.00011965662979
                3s
                   +0 :              -0.00004235649910
                2p
                   -1 :               0.00002749864098
                   +0 :               0.00000874723459
                   +1 :               0.00003073626969
                3p
                   -1 :              -0.00000721721456
                   +0 :               0.00000807818773
                   +1 :               0.00002345791092
                3d
                   -2 :              -0.00000698215475
                   -1 :               0.00000248185894
                   +0 :              -0.00000450642452
                   +1 :               0.00000923837304
                   +2 :               0.00000438092852
             14 vec=    -2.593388    -16.954747     -4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00005142190148
                2s
                   +0 :              -0.00049734972007
                3s
                   +0 :               0.00008370910795
                2p
                   -1 :               0.00013435627118
                   +0 :               0.00006811038314
                   +1 :              -0.00003230461908
                3p
                   -1 :               0.00000500642394
                   +0 :              -0.00001807761787
                   +1 :               0.00001641540957
                3d
                   -2 :               0.00000829220733
                   -1 :               0.00000061485034
                   +0 :               0.00000035475757
                   +1 :               0.00000650257210
                   +2 :              -0.00000304142020
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 28)  npairs=  15
              1 vec=     2.802674      4.128785      8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00016323938555
                2s
                   +0 :              -0.00234651972612
                3s
                   +0 :              -0.00000237726817
                2p
                   -1 :              -0.00348322837067
                   +0 :              -0.00049817830785
                   +1 :               0.00175785688436
                3p
                   -1 :               0.00211795819503
                   +0 :              -0.00066789741877
                   +1 :              -0.00180292837908
                3d
                   -2 :              -0.00002814174473
                   -1 :              -0.00004181899649
                   +0 :              -0.00007883888497
                   +1 :              -0.00016175412328
                   +2 :               0.00011617734506
              2 vec=    -4.977489     -0.363094      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00040794724128
                2s
                   +0 :               0.00313304875683
                3s
                   +0 :              -0.00101123224564
                2p
                   -1 :              -0.00118655246177
                   +0 :               0.00330720941011
                   +1 :              -0.00059796323821
                3p
                   -1 :              -0.00018768099244
                   +0 :              -0.00119921617645
                   +1 :              -0.00016834566325
                3d
                   -2 :               0.00019352011707
                   -1 :              -0.00009909577791
                   +0 :               0.00004268860390
                   +1 :              -0.00006262790175
                   +2 :              -0.00001694240941
              3 vec=     2.802674     -4.854973      8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00000644902988
                2s
                   +0 :               0.00116067669515
                3s
                   +0 :               0.00000976088805
                2p
                   -1 :               0.00071905003999
                   +0 :               0.00066123778490
                   +1 :              -0.00397389335270
                3p
                   -1 :              -0.00033707760150
                   +0 :              -0.00084001215157
                   +1 :               0.00089952333868
                3d
                   -2 :               0.00008473566141
                   -1 :              -0.00008795303049
                   +0 :              -0.00006527015657
                   +1 :              -0.00025832063739
                   +2 :              -0.00000183288687
              4 vec=    -4.977489      8.620664      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00011400851625
                2s
                   +0 :               0.00091757990732
                3s
                   +0 :              -0.00036944685760
                2p
                   -1 :               0.00027495352193
                   +0 :               0.00027406622067
                   +1 :               0.00009743612897
                3p
                   -1 :              -0.00019129097626
                   +0 :              -0.00000259082027
                   +1 :              -0.00001101948069
                3d
                   -2 :               0.00003013244319
                   -1 :              -0.00002541023457
                   +0 :               0.00004332166594
                   +1 :              -0.00000407603182
                   +2 :               0.00002076740985
              5 vec=    10.582837     -0.363094      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00001592416490
                2s
                   +0 :               0.00033407093365
                3s
                   +0 :               0.00002379412163
                2p
                   -1 :               0.00071583230976
                   +0 :              -0.00019041294327
                   +1 :               0.00022669310046
                3p
                   -1 :              -0.00034643490091
                   +0 :               0.00021126815978
                   +1 :              -0.00010904177097
                3d
                   -2 :               0.00000587862250
                   -1 :              -0.00002797573387
                   +0 :               0.00004736289460
                   +1 :              -0.00000704976516
                   +2 :              -0.00002464964162
              6 vec=    -4.977489     -9.346852      8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00004855032820
                2s
                   +0 :              -0.00082808516982
                3s
                   +0 :               0.00007115490431
                2p
                   -1 :               0.00041529022812
                   +0 :              -0.00035952241686
                   +1 :               0.00020267063900
                3p
                   -1 :              -0.00010724949572
                   +0 :               0.00019101275526
                   +1 :               0.00014111347093
                3d
                   -2 :              -0.00003890618967
                   -1 :              -0.00002488363296
                   +0 :               0.00000064248835
                   +1 :               0.00001308170117
                   +2 :              -0.00000550193931
              7 vec=     2.802674     13.112543      8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00011056657752
                2s
                   +0 :              -0.00100255626942
                3s
                   +0 :               0.00021388105408
                2p
                   -1 :              -0.00051791658973
                   +0 :              -0.00053117758394
                   +1 :               0.00042531998980
                3p
                   -1 :               0.00027958256593
                   +0 :               0.00017870931228
                   +1 :              -0.00027114897994
                3d
                   -2 :               0.00001066033048
                   -1 :              -0.00003229356430
                   +0 :              -0.00001541645020
                   +1 :               0.00000961436015
                   +2 :               0.00002248014544
              8 vec=   -12.757651      4.128785      8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00003356015801
                2s
                   +0 :               0.00028176678315
                3s
                   +0 :              -0.00012735231692
                2p
                   -1 :              -0.00010581669068
                   +0 :               0.00022673635119
                   +1 :              -0.00022591614612
                3p
                   -1 :               0.00005423664230
                   +0 :              -0.00020941680288
                   +1 :               0.00012351634830
                3d
                   -2 :               0.00000240622337
                   -1 :               0.00000155791822
                   +0 :              -0.00001169335748
                   +1 :               0.00000688870593
                   +2 :               0.00000032711545
              9 vec=    10.582837      8.620664      8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00001846594889
                2s
                   +0 :               0.00010614664611
                3s
                   +0 :              -0.00003052007293
                2p
                   -1 :               0.00003123638285
                   +0 :               0.00003768631140
                   +1 :               0.00015224704628
                3p
                   -1 :               0.00004620923566
                   +0 :               0.00011228548911
                   +1 :              -0.00014825173829
                3d
                   -2 :               0.00000060616927
                   -1 :               0.00001842892139
                   +0 :              -0.00000004016219
                   +1 :               0.00000728869628
                   +2 :              -0.00001643391973
             10 vec=   -12.757651     -4.854973      8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00001654175421
                2s
                   +0 :               0.00002526235546
                3s
                   +0 :              -0.00005796641121
                2p
                   -1 :               0.00006929377350
                   +0 :              -0.00003177658422
                   +1 :               0.00004617180428
                3p
                   -1 :              -0.00002216045841
                   +0 :               0.00006241541541
                   +1 :               0.00000536002647
                3d
                   -2 :              -0.00000216750444
                   -1 :              -0.00000434224096
                   +0 :              -0.00000236480480
                   +1 :              -0.00000742653625
                   +2 :               0.00000211215143
             11 vec=    10.582837     -9.346852      8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00011171936849
                2s
                   +0 :               0.00102805242317
                3s
                   +0 :              -0.00019042607790
                2p
                   -1 :              -0.00035967421985
                   +0 :               0.00015617208264
                   +1 :              -0.00014640357145
                3p
                   -1 :               0.00007276362676
                   +0 :              -0.00014190339138
                   +1 :               0.00018660297578
                3d
                   -2 :               0.00000281947049
                   -1 :               0.00002871208661
                   +0 :               0.00001404731289
                   +1 :               0.00000317056273
                   +2 :              -0.00001554362435
             12 vec=     2.802674    -13.838731      8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00004107086348
                2s
                   +0 :              -0.00034415377745
                3s
                   +0 :               0.00010755097507
                2p
                   -1 :               0.00020803433761
                   +0 :              -0.00028354374551
                   +1 :              -0.00017073001998
                3p
                   -1 :              -0.00012826704167
                   +0 :               0.00010077117688
                   +1 :               0.00002068770645
                3d
                   -2 :               0.00000488490871
                   -1 :              -0.00000373849283
                   +0 :               0.00000449382846
                   +1 :               0.00000617137994
                   +2 :              -0.00000180006434
             13 vec=     2.802674      4.128785    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00000107524198
                2s
                   +0 :               0.00002154704600
                3s
                   +0 :               0.00001495898775
                2p
                   -1 :              -0.00008905853673
                   +0 :               0.00003215689304
                   +1 :               0.00010715672205
                3p
                   -1 :               0.00005546104225
                   +0 :              -0.00003985909732
                   +1 :              -0.00004410257996
                3d
                   -2 :              -0.00000259290533
                   -1 :              -0.00000398713064
                   +0 :              -0.00000334010022
                   +1 :               0.00000477302954
                   +2 :               0.00000141108095
             14 vec=    -4.977489     -0.363094    -16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00002023038590
                2s
                   +0 :               0.00015115489791
                3s
                   +0 :              -0.00004934946789
                2p
                   -1 :              -0.00001911105247
                   +0 :              -0.00008154386004
                   +1 :               0.00008162003648
                3p
                   -1 :              -0.00002726211561
                   +0 :               0.00007582704989
                   +1 :              -0.00003781798565
                3d
                   -2 :              -0.00000443272801
                   -1 :               0.00000668250712
                   +0 :              -0.00001276246953
                   +1 :              -0.00000190149723
                   +2 :               0.00000121459669
             15 vec=     2.802674     -4.854973    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000837474877
                2s
                   +0 :              -0.00006368264643
                3s
                   +0 :               0.00000493855638
                2p
                   -1 :              -0.00009498326657
                   +0 :               0.00005309191743
                   +1 :              -0.00006443542671
                3p
                   -1 :               0.00004654701128
                   +0 :              -0.00003240072544
                   +1 :               0.00005574747304
                3d
                   -2 :              -0.00000395282113
                   -1 :              -0.00000155919681
                   +0 :              -0.00000037684386
                   +1 :              -0.00000350686117
                   +2 :               0.00000399740724
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 29)  npairs=  14
              1 vec=    -0.209286     -0.363094      8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00039172522107
                2s
                   +0 :              -0.00346524885926
                3s
                   +0 :               0.00055931348487
                2p
                   -1 :              -0.00201905034801
                   +0 :              -0.00211663741404
                   +1 :               0.00314231667710
                3p
                   -1 :               0.00105762392044
                   +0 :               0.00109030903965
                   +1 :              -0.00233199695345
                3d
                   -2 :              -0.00007246140183
                   -1 :               0.00009563437004
                   +0 :               0.00008311518364
                   +1 :              -0.00013905367425
                   +2 :               0.00005435487255
              2 vec=    -0.209286      8.620664      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00011194480625
                2s
                   +0 :              -0.00052235843262
                3s
                   +0 :               0.00027325593248
                2p
                   -1 :               0.00192786139505
                   +0 :              -0.00000121890027
                   +1 :               0.00044470938992
                3p
                   -1 :              -0.00168085156079
                   +0 :               0.00022982106810
                   +1 :              -0.00008958634232
                3d
                   -2 :               0.00003405096962
                   -1 :              -0.00004613745674
                   +0 :               0.00003790437053
                   +1 :               0.00006972414772
                   +2 :               0.00009685799434
              3 vec=     7.570876      4.128785      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00010073106591
                2s
                   +0 :              -0.00061343703768
                3s
                   +0 :               0.00038075380690
                2p
                   -1 :               0.00021244836914
                   +0 :              -0.00027488870990
                   +1 :              -0.00068964595800
                3p
                   -1 :              -0.00028967603321
                   +0 :               0.00017178720480
                   +1 :               0.00061796631436
                3d
                   -2 :              -0.00002014648035
                   -1 :              -0.00008578030727
                   +0 :              -0.00002464527797
                   +1 :               0.00004862499073
                   +2 :               0.00008281953293
              4 vec=    -7.989449      4.128785      8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00012331103422
                2s
                   +0 :               0.00101164691469
                3s
                   +0 :              -0.00026706995096
                2p
                   -1 :               0.00038502114805
                   +0 :               0.00065756815378
                   +1 :              -0.00080999233984
                3p
                   -1 :              -0.00054241078008
                   +0 :              -0.00027496738866
                   +1 :               0.00037714325213
                3d
                   -2 :              -0.00000686982768
                   -1 :              -0.00002094067296
                   +0 :              -0.00002489451977
                   +1 :               0.00000924064592
                   +2 :               0.00005290187356
              5 vec=     7.570876     -4.854973      8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00065498441322
                2s
                   +0 :               0.00641042248242
                3s
                   +0 :              -0.00101628819642
                2p
                   -1 :              -0.00014301189834
                   +0 :               0.00328883958366
                   +1 :               0.00239122286042
                3p
                   -1 :              -0.00029042106228
                   +0 :              -0.00057626782031
                   +1 :              -0.00094712727571
                3d
                   -2 :              -0.00006572059655
                   -1 :              -0.00013321543192
                   +0 :               0.00016539376256
                   +1 :               0.00017544285602
                   +2 :              -0.00000751990887
              6 vec=    -7.989449     -4.854973      8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00010651833995
                2s
                   +0 :              -0.00088863586377
                3s
                   +0 :               0.00029156845510
                2p
                   -1 :              -0.00045770217780
                   +0 :              -0.00080751684812
                   +1 :               0.00069908397064
                3p
                   -1 :               0.00036037927089
                   +0 :               0.00053444416013
                   +1 :              -0.00038715294504
                3d
                   -2 :               0.00000463615029
                   -1 :               0.00003726456879
                   +0 :               0.00000102292758
                   +1 :              -0.00004062727341
                   +2 :               0.00001744966724
              7 vec=    -0.209286     -9.346852      8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00007917560074
                2s
                   +0 :              -0.00088957394504
                3s
                   +0 :               0.00009900896778
                2p
                   -1 :               0.00053526889802
                   +0 :              -0.00035135576853
                   +1 :              -0.00007171122944
                3p
                   -1 :              -0.00027253494142
                   +0 :              -0.00022641759715
                   +1 :              -0.00010317648907
                3d
                   -2 :               0.00003023166205
                   -1 :               0.00003800262926
                   +0 :              -0.00004308437247
                   +1 :              -0.00002293211851
                   +2 :              -0.00002630730819
              8 vec=    -0.209286     -0.363094    -16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00000238536691
                2s
                   +0 :               0.00003506340835
                3s
                   +0 :               0.00001141903812
                2p
                   -1 :              -0.00004863827862
                   +0 :              -0.00004279924649
                   +1 :               0.00001000523145
                3p
                   -1 :               0.00000483560892
                   +0 :               0.00002239878770
                   +1 :               0.00001704337595
                3d
                   -2 :               0.00000224454464
                   -1 :               0.00000196764384
                   +0 :               0.00000095506196
                   +1 :              -0.00000004603753
                   +2 :              -0.00000058936903
              9 vec=     7.570876     13.112543      8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00004361354728
                2s
                   +0 :              -0.00044569187811
                3s
                   +0 :               0.00012179114105
                2p
                   -1 :              -0.00002367995451
                   +0 :               0.00001905787687
                   +1 :              -0.00025272725520
                3p
                   -1 :              -0.00000462870045
                   +0 :              -0.00006312536996
                   +1 :               0.00013645109561
                3d
                   -2 :               0.00000271505276
                   -1 :              -0.00001047361440
                   +0 :              -0.00000986884172
                   +1 :              -0.00000085492435
                   +2 :               0.00000939755510
             10 vec=    -7.989449     13.112543      8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00002315566963
                2s
                   +0 :              -0.00009904979031
                3s
                   +0 :               0.00007051766228
                2p
                   -1 :               0.00006821552285
                   +0 :               0.00008214866766
                   +1 :               0.00015304653789
                3p
                   -1 :               0.00004961082859
                   +0 :               0.00000762781466
                   +1 :              -0.00009803932483
                3d
                   -2 :              -0.00000496020893
                   -1 :               0.00000956327595
                   +0 :               0.00000145437712
                   +1 :               0.00000384357043
                   +2 :              -0.00000838848879
             11 vec=    15.351039     -0.363094      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000986462511
                2s
                   +0 :               0.00013575904635
                3s
                   +0 :              -0.00002697658230
                2p
                   -1 :              -0.00002887882839
                   +0 :              -0.00005023290492
                   +1 :               0.00003860389439
                3p
                   -1 :               0.00012392013084
                   +0 :              -0.00002827394867
                   +1 :              -0.00003115902684
                3d
                   -2 :               0.00001202110735
                   -1 :               0.00000550405858
                   +0 :              -0.00000989472146
                   +1 :              -0.00001131168826
                   +2 :              -0.00000927931469
             12 vec=   -15.769612     -0.363094      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000215865267
                2s
                   +0 :               0.00000686088976
                3s
                   +0 :              -0.00000159828608
                2p
                   -1 :              -0.00002875202485
                   +0 :              -0.00002433747550
                   +1 :               0.00002736301912
                3p
                   -1 :               0.00000097412193
                   +0 :               0.00003244047243
                   +1 :              -0.00001990527146
                3d
                   -2 :               0.00000087643503
                   -1 :               0.00000133897347
                   +0 :               0.00000750094575
                   +1 :              -0.00000135147480
                   +2 :              -0.00000160814115
             13 vec=     7.570876    -13.838731      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00003637417734
                2s
                   +0 :               0.00034341912517
                3s
                   +0 :              -0.00007085351789
                2p
                   -1 :              -0.00015713623089
                   +0 :              -0.00001691753443
                   +1 :               0.00008026843279
                3p
                   -1 :               0.00003803195859
                   +0 :               0.00002698977967
                   +1 :              -0.00013834072356
                3d
                   -2 :               0.00000367253126
                   -1 :              -0.00000743248549
                   +0 :              -0.00000412947951
                   +1 :              -0.00000679916578
                   +2 :              -0.00000177895560
             14 vec=    -7.989449    -13.838731      8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00002904185346
                2s
                   +0 :              -0.00028251794963
                3s
                   +0 :               0.00007034420981
                2p
                   -1 :              -0.00000781311749
                   +0 :              -0.00006301286659
                   +1 :               0.00012449031037
                3p
                   -1 :               0.00002908725281
                   +0 :               0.00001842479645
                   +1 :              -0.00000938932221
                3d
                   -2 :              -0.00000512130501
                   -1 :              -0.00000270617819
                   +0 :              -0.00000117347731
                   +1 :               0.00000210598917
                   +2 :              -0.00000463681794
WF             site_B          number of pairs
WF( 39)=[O_12_2py]  to site O ( 30)  npairs=  15
              1 vec=    -2.593388      4.491280      8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00001653067997
                2s
                   +0 :               0.00016116970341
                3s
                   +0 :               0.00014942648345
                2p
                   -1 :              -0.00113490887594
                   +0 :               0.00014494126230
                   +1 :              -0.00019752326791
                3p
                   -1 :               0.00131872647554
                   +0 :               0.00041273256632
                   +1 :               0.00075010389641
                3d
                   -2 :               0.00008078345707
                   -1 :               0.00018036896055
                   +0 :              -0.00005382453057
                   +1 :               0.00003021318770
                   +2 :              -0.00003024021639
              2 vec=     5.186775     -0.000599      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00023967423387
                2s
                   +0 :               0.00160922683925
                3s
                   +0 :              -0.00068838749347
                2p
                   -1 :               0.00159891121001
                   +0 :               0.00079341732768
                   +1 :              -0.00071630017465
                3p
                   -1 :              -0.00043525601150
                   +0 :               0.00006142132077
                   +1 :               0.00065634944317
                3d
                   -2 :              -0.00000597154046
                   -1 :               0.00020505974705
                   +0 :              -0.00005438913806
                   +1 :               0.00005556608399
                   +2 :              -0.00008541624807
              3 vec=    -2.593388     -4.492478      8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00054276738210
                2s
                   +0 :              -0.00469894776188
                3s
                   +0 :               0.00074699666549
                2p
                   -1 :               0.00111547492770
                   +0 :              -0.00308050959830
                   +1 :               0.00005381428897
                3p
                   -1 :              -0.00034110208027
                   +0 :               0.00043886055566
                   +1 :               0.00126582559909
                3d
                   -2 :              -0.00012183612215
                   -1 :               0.00004776643896
                   +0 :              -0.00005244975379
                   +1 :               0.00034767046537
                   +2 :              -0.00004545439473
              4 vec=     5.186775      8.983159      8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00015372508788
                2s
                   +0 :              -0.00098385341599
                3s
                   +0 :               0.00022268324076
                2p
                   -1 :               0.00052198477613
                   +0 :              -0.00030897881522
                   +1 :              -0.00092359845089
                3p
                   -1 :              -0.00040100316978
                   +0 :               0.00026567081825
                   +1 :               0.00060387351562
                3d
                   -2 :              -0.00005185307155
                   -1 :               0.00002334337022
                   +0 :               0.00002046536525
                   +1 :              -0.00000686393771
                   +2 :               0.00001594003345
              5 vec=   -10.373550     -0.000599      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00003960000774
                2s
                   +0 :              -0.00016796657282
                3s
                   +0 :               0.00012794048223
                2p
                   -1 :              -0.00012485739912
                   +0 :              -0.00014199287552
                   +1 :               0.00018720671795
                3p
                   -1 :               0.00007492025437
                   +0 :               0.00002692068053
                   +1 :              -0.00015584350987
                3d
                   -2 :               0.00001794830049
                   -1 :              -0.00002218183541
                   +0 :               0.00000075086060
                   +1 :               0.00000491005903
                   +2 :               0.00001478408118
              6 vec=     5.186775     -8.984357      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00005362232773
                2s
                   +0 :               0.00043929747184
                3s
                   +0 :              -0.00004586385258
                2p
                   -1 :              -0.00017169037760
                   +0 :              -0.00003164258352
                   +1 :              -0.00053083959068
                3p
                   -1 :              -0.00019675855986
                   +0 :               0.00037414095605
                   +1 :               0.00009963551608
                3d
                   -2 :               0.00001395331684
                   -1 :              -0.00007476458727
                   +0 :               0.00003065649896
                   +1 :              -0.00001827524015
                   +2 :               0.00000775039313
              7 vec=    -2.593388     13.475038      8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00001361742176
                2s
                   +0 :              -0.00009793129171
                3s
                   +0 :               0.00005121002188
                2p
                   -1 :              -0.00003366255198
                   +0 :               0.00036270885579
                   +1 :               0.00026832641996
                3p
                   -1 :               0.00014643966208
                   +0 :              -0.00020212808109
                   +1 :              -0.00020315924209
                3d
                   -2 :              -0.00002347150801
                   -1 :               0.00000175523481
                   +0 :              -0.00002086314303
                   +1 :              -0.00002154571892
                   +2 :              -0.00001504197423
              8 vec=   -10.373550      8.983159      8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00000751985612
                2s
                   +0 :               0.00014540313957
                3s
                   +0 :               0.00001258976317
                2p
                   -1 :               0.00000237745940
                   +0 :               0.00032908780792
                   +1 :               0.00000780357727
                3p
                   -1 :               0.00000864868581
                   +0 :              -0.00014451591017
                   +1 :              -0.00005799739460
                3d
                   -2 :              -0.00000311283303
                   -1 :              -0.00001527984468
                   +0 :               0.00000401278356
                   +1 :              -0.00001523040454
                   +2 :              -0.00000116947108
              9 vec=    12.966938      4.491280      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000224782706
                2s
                   +0 :               0.00002082270029
                3s
                   +0 :               0.00001779467493
                2p
                   -1 :               0.00009635861396
                   +0 :              -0.00005799895349
                   +1 :               0.00013650191197
                3p
                   -1 :              -0.00008405169531
                   +0 :               0.00003035968537
                   +1 :              -0.00007844316219
                3d
                   -2 :              -0.00000069822235
                   -1 :              -0.00000394103855
                   +0 :               0.00000416881003
                   +1 :               0.00000785988638
                   +2 :              -0.00001476742742
             10 vec=    12.966938     -4.492478      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00007058739215
                2s
                   +0 :               0.00074242503550
                3s
                   +0 :              -0.00002649502818
                2p
                   -1 :               0.00011410017835
                   +0 :              -0.00011511314481
                   +1 :               0.00030503491972
                3p
                   -1 :              -0.00000706587246
                   +0 :               0.00002657641556
                   +1 :               0.00004042603251
                3d
                   -2 :               0.00000898629375
                   -1 :              -0.00001064145939
                   +0 :              -0.00000675719115
                   +1 :              -0.00002241289599
                   +2 :               0.00003512052915
             11 vec=   -10.373550     -8.984357      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00003105084982
                2s
                   +0 :               0.00023472381415
                3s
                   +0 :              -0.00001440248004
                2p
                   -1 :              -0.00015678996598
                   +0 :               0.00018111063071
                   +1 :               0.00003716333092
                3p
                   -1 :               0.00011673827244
                   +0 :               0.00001049731616
                   +1 :              -0.00011401283520
                3d
                   -2 :               0.00000868521786
                   -1 :              -0.00000102960553
                   +0 :               0.00001567410416
                   +1 :              -0.00002798929168
                   +2 :               0.00001527159741
             12 vec=    -2.593388    -13.476236      8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00001155795506
                2s
                   +0 :              -0.00004839861993
                3s
                   +0 :              -0.00011051501490
                2p
                   -1 :              -0.00006735248056
                   +0 :               0.00000271904043
                   +1 :              -0.00001063311435
                3p
                   -1 :               0.00009950235023
                   +0 :              -0.00011340675602
                   +1 :               0.00000078191043
                3d
                   -2 :              -0.00000630378696
                   -1 :               0.00001221976627
                   +0 :              -0.00000253483033
                   +1 :               0.00001380978799
                   +2 :              -0.00000245478970
             13 vec=    -2.593388      4.491280    -16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000325475080
                2s
                   +0 :               0.00009589214800
                3s
                   +0 :               0.00002028542621
                2p
                   -1 :              -0.00001510115747
                   +0 :              -0.00004612473880
                   +1 :               0.00000000930008
                3p
                   -1 :               0.00000200060241
                   +0 :              -0.00001919498338
                   +1 :              -0.00001513752207
                3d
                   -2 :              -0.00000103822401
                   -1 :              -0.00000002286227
                   +0 :               0.00000443517434
                   +1 :               0.00000405359204
                   +2 :              -0.00000010605097
             14 vec=     5.186775     -0.000599    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00002361836203
                2s
                   +0 :              -0.00017504261925
                3s
                   +0 :               0.00005544678277
                2p
                   -1 :              -0.00005494501880
                   +0 :               0.00010272183910
                   +1 :               0.00003985136318
                3p
                   -1 :               0.00000684879441
                   +0 :              -0.00003894480807
                   +1 :              -0.00003713382449
                3d
                   -2 :              -0.00000492340590
                   -1 :               0.00000209895659
                   +0 :              -0.00000289306374
                   +1 :               0.00000287274684
                   +2 :              -0.00000279367931
             15 vec=    -2.593388     -4.492478    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000398500239
                2s
                   +0 :               0.00000360593622
                3s
                   +0 :               0.00002493370874
                2p
                   -1 :              -0.00001997066245
                   +0 :               0.00003175961347
                   +1 :               0.00013615100392
                3p
                   -1 :              -0.00002788780873
                   +0 :              -0.00004369943371
                   +1 :              -0.00006502569428
                3d
                   -2 :               0.00000041212013
                   -1 :               0.00000227053702
                   +0 :               0.00000100760198
                   +1 :              -0.00000251043285
                   +2 :               0.00000344037490
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al(  1)  npairs=  13
              1 vec=     2.593388     -1.739555      6.601980   |vec|=    7.303276
                2s
                   +0 :              -0.00113483181771
                2p
                   -1 :               0.00063671417225
                   +0 :              -0.00103745755393
                   +1 :              -0.00112124623423
                3s
                   +0 :               0.00569008839015
                4s
                   +0 :              -0.00199513891129
                3p
                   -1 :              -0.00320197293994
                   +0 :               0.00591130732255
                   +1 :               0.00558043217758
                4p
                   -1 :               0.00015175010823
                   +0 :              -0.00194851742704
                   +1 :              -0.00068773247709
                3d
                   -2 :               0.00325802444211
                   -1 :               0.00074029758650
                   +0 :               0.00211813396973
                   +1 :              -0.00126131671267
                   +2 :              -0.00279947286503
              2 vec=    -5.186775      2.752324      6.601980   |vec|=    8.835387
                2s
                   +0 :              -0.00117328817670
                2p
                   -1 :              -0.00023609451473
                   +0 :               0.00006920296323
                   +1 :              -0.00026931716618
                3s
                   +0 :               0.01672931012717
                4s
                   +0 :              -0.00045040253907
                3p
                   -1 :               0.00678318761718
                   +0 :               0.00820196963629
                   +1 :              -0.00768236050620
                4p
                   -1 :              -0.00024458763875
                   +0 :               0.00043896644983
                   +1 :              -0.00061613642764
                3d
                   -2 :              -0.00260548953873
                   -1 :               0.00245791599044
                   +0 :               0.00058982440156
                   +1 :              -0.00363486261086
                   +2 :               0.00122854811028
              3 vec=     2.593388      7.244203      6.601980   |vec|=   10.138554
                2s
                   +0 :               0.00068735835481
                2p
                   -1 :              -0.00055898697569
                   +0 :               0.00052554536380
                   +1 :               0.00053946259957
                3s
                   +0 :               0.00005847922711
                4s
                   +0 :              -0.00092654357581
                3p
                   -1 :               0.00373347971375
                   +0 :              -0.00221638521507
                   +1 :              -0.00166362670981
                4p
                   -1 :              -0.00153265930201
                   +0 :               0.00004592720573
                   +1 :               0.00013175447162
                3d
                   -2 :               0.00043745431713
                   -1 :               0.00036481399596
                   +0 :              -0.00007988612100
                   +1 :              -0.00022174776520
                   +2 :              -0.00147667375970
              4 vec=    -5.186775     -6.231434      6.601980   |vec|=   10.455599
                2s
                   +0 :              -0.00056473470992
                2p
                   -1 :               0.00015110846485
                   +0 :               0.00001596340547
                   +1 :               0.00022415955401
                3s
                   +0 :               0.00299902595448
                4s
                   +0 :              -0.00103488819506
                3p
                   -1 :              -0.00149087111863
                   +0 :              -0.00028821577368
                   +1 :              -0.00139735605877
                4p
                   -1 :               0.00051873188435
                   +0 :               0.00007651882027
                   +1 :               0.00042698805619
                3d
                   -2 :               0.00036785939440
                   -1 :              -0.00012978286819
                   +0 :               0.00025275533295
                   +1 :              -0.00021229786618
                   +2 :              -0.00009432311063
              5 vec=    10.373550      2.752324      6.601980   |vec|=   12.600475
                2s
                   +0 :              -0.00023127755305
                2p
                   -1 :              -0.00006988139354
                   +0 :              -0.00006701255381
                   +1 :               0.00003696120420
                3s
                   +0 :               0.00111064459184
                4s
                   +0 :              -0.00004111711318
                3p
                   -1 :               0.00063651933418
                   +0 :               0.00083146570159
                   +1 :              -0.00023928897039
                4p
                   -1 :              -0.00009591863006
                   +0 :              -0.00005357483007
                   +1 :               0.00025343779855
                3d
                   -2 :               0.00012496092380
                   -1 :               0.00011776652967
                   +0 :               0.00019993590240
                   +1 :               0.00016361820946
                   +2 :              -0.00005046396432
              6 vec=     2.593388    -10.723313      6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00031841136270
                2p
                   -1 :              -0.00014028024103
                   +0 :               0.00010934542152
                   +1 :               0.00004447605878
                3s
                   +0 :              -0.00028442146048
                4s
                   +0 :               0.00027902708710
                3p
                   -1 :               0.00036919011658
                   +0 :              -0.00013004125765
                   +1 :              -0.00022044707002
                4p
                   -1 :              -0.00007093219886
                   +0 :               0.00014075042980
                   +1 :               0.00000687817426
                3d
                   -2 :              -0.00001805020304
                   -1 :               0.00007375178724
                   +0 :              -0.00005021460651
                   +1 :               0.00003694176904
                   +2 :              -0.00002067516769
              7 vec=    10.373550     -6.231434      6.601980   |vec|=   13.785044
                2s
                   +0 :               0.00013997263828
                2p
                   -1 :              -0.00006747264929
                   +0 :              -0.00001664931540
                   +1 :              -0.00003215048781
                3s
                   +0 :              -0.00092924756911
                4s
                   +0 :               0.00034477159501
                3p
                   -1 :               0.00038881790997
                   +0 :               0.00060146973425
                   +1 :              -0.00028181394446
                4p
                   -1 :              -0.00001678612618
                   +0 :              -0.00002086327088
                   +1 :               0.00019263902259
                3d
                   -2 :               0.00001234464679
                   -1 :               0.00010017777136
                   +0 :              -0.00024645063291
                   +1 :               0.00011906325008
                   +2 :              -0.00010262610912
              8 vec=    -5.186775     11.736082      6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00024123836087
                2p
                   -1 :               0.00002823240550
                   +0 :               0.00002412011788
                   +1 :              -0.00004207052529
                3s
                   +0 :              -0.00073625237806
                4s
                   +0 :               0.00027667712559
                3p
                   -1 :              -0.00005882142213
                   +0 :              -0.00021033920603
                   +1 :               0.00026071114933
                4p
                   -1 :               0.00000354011966
                   +0 :               0.00010820248260
                   +1 :              -0.00005129692919
                3d
                   -2 :               0.00002292954183
                   -1 :              -0.00002428260091
                   +0 :              -0.00001470503937
                   +1 :              -0.00000210930147
                   +2 :              -0.00013483887618
              9 vec=   -12.966938     -1.739555      6.601980   |vec|=   14.654476
                2s
                   +0 :               0.00006473574981
                2p
                   -1 :              -0.00002056113139
                   +0 :               0.00001619868453
                   +1 :              -0.00003732046566
                3s
                   +0 :              -0.00005635752405
                4s
                   +0 :               0.00001404326067
                3p
                   -1 :               0.00004067596887
                   +0 :              -0.00003220092156
                   +1 :               0.00022150731004
                4p
                   -1 :               0.00001617801855
                   +0 :               0.00001240159597
                   +1 :              -0.00004221689297
                3d
                   -2 :              -0.00000170305432
                   -1 :              -0.00000109745319
                   +0 :               0.00001045523152
                   +1 :              -0.00001887719883
                   +2 :              -0.00000275359306
             10 vec=   -12.966938      7.244203      6.601980   |vec|=   16.254417
                2s
                   +0 :              -0.00011145324279
                2p
                   -1 :              -0.00000413778465
                   +0 :              -0.00005408301763
                   +1 :               0.00003918189642
                3s
                   +0 :               0.00039790343900
                4s
                   +0 :              -0.00012131032762
                3p
                   -1 :              -0.00001649421510
                   +0 :               0.00024860817807
                   +1 :              -0.00019180412190
                4p
                   -1 :               0.00001572005596
                   +0 :              -0.00006717934513
                   +1 :               0.00003769640952
                3d
                   -2 :               0.00000840392766
                   -1 :               0.00002874233715
                   +0 :               0.00004529379463
                   +1 :              -0.00005323312209
                   +2 :               0.00000947008789
             11 vec=    10.373550     11.736082      6.601980   |vec|=   16.998009
                2s
                   +0 :              -0.00001625855875
                2p
                   -1 :               0.00000139597828
                   +0 :               0.00001624986499
                   +1 :              -0.00000296373558
                3s
                   +0 :               0.00008287672502
                4s
                   +0 :               0.00001133643875
                3p
                   -1 :              -0.00002727179708
                   +0 :              -0.00003285708629
                   +1 :               0.00000987192183
                4p
                   -1 :               0.00000851219643
                   +0 :               0.00001711833407
                   +1 :               0.00003341118648
                3d
                   -2 :               0.00001543671040
                   -1 :              -0.00000786295086
                   +0 :               0.00001647585326
                   +1 :              -0.00000003952750
                   +2 :              -0.00002190342958
             12 vec=    -5.186775    -15.215192      6.601980   |vec|=   17.377884
                2s
                   +0 :              -0.00009399123102
                2p
                   -1 :               0.00002674371072
                   +0 :              -0.00004758386115
                   +1 :              -0.00002664157150
                3s
                   +0 :               0.00049439486916
                4s
                   +0 :              -0.00010616361861
                3p
                   -1 :              -0.00017758628194
                   +0 :               0.00032174995474
                   +1 :               0.00017341974672
                4p
                   -1 :               0.00001973616724
                   +0 :              -0.00005095800779
                   +1 :              -0.00004021552180
                3d
                   -2 :              -0.00004061147337
                   -1 :              -0.00008386053081
                   +0 :               0.00005239577603
                   +1 :              -0.00000543936959
                   +2 :              -0.00001826437095
             13 vec=     2.593388     16.227961      6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00003529410941
                2p
                   -1 :              -0.00001083716343
                   +0 :               0.00001789465233
                   +1 :               0.00002617993948
                3s
                   +0 :               0.00028021727869
                4s
                   +0 :              -0.00012992102848
                3p
                   -1 :               0.00013605962171
                   +0 :              -0.00013849341639
                   +1 :              -0.00018397168896
                4p
                   -1 :              -0.00005740718256
                   +0 :               0.00000802040422
                   +1 :               0.00006198508409
                3d
                   -2 :              -0.00002169441912
                   -1 :              -0.00004009529087
                   +0 :               0.00004498178858
                   +1 :               0.00001817551574
                   +2 :              -0.00002669609687
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al(  2)  npairs=  15
              1 vec=     2.593388     -1.739555    -10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00067085642809
                2p
                   -1 :               0.00032030589299
                   +0 :               0.00037540995763
                   +1 :              -0.00031847047700
                3s
                   +0 :               0.00024724285423
                4s
                   +0 :              -0.00016115416519
                3p
                   -1 :              -0.00118365865769
                   +0 :              -0.00034968590081
                   +1 :               0.00232130254099
                4p
                   -1 :               0.00018358832338
                   +0 :               0.00007397145160
                   +1 :              -0.00049747472595
                3d
                   -2 :              -0.00010694108755
                   -1 :               0.00011985485226
                   +0 :              -0.00010670251946
                   +1 :              -0.00023637190343
                   +2 :               0.00003604307696
              2 vec=    -5.186775      2.752324    -10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00008129229678
                2p
                   -1 :               0.00005395924594
                   +0 :               0.00005587290508
                   +1 :               0.00004227142931
                3s
                   +0 :              -0.00133241425979
                4s
                   +0 :               0.00033136541481
                3p
                   -1 :              -0.00094205151060
                   +0 :              -0.00033670039557
                   +1 :              -0.00013945281226
                4p
                   -1 :              -0.00001569613807
                   +0 :              -0.00003268231618
                   +1 :              -0.00003656460483
                3d
                   -2 :              -0.00032896593715
                   -1 :               0.00009729613663
                   +0 :               0.00054103833261
                   +1 :               0.00033586396350
                   +2 :               0.00055542834832
              3 vec=     2.593388      7.244203    -10.693237   |vec|=   13.173817
                2s
                   +0 :               0.00034562444884
                2p
                   -1 :              -0.00007708561009
                   +0 :              -0.00004797828470
                   +1 :               0.00013062321958
                3s
                   +0 :              -0.00257820516706
                4s
                   +0 :               0.00035625993277
                3p
                   -1 :              -0.00075238663989
                   +0 :               0.00121265845436
                   +1 :              -0.00087448364437
                4p
                   -1 :              -0.00003533554110
                   +0 :              -0.00008860667286
                   +1 :               0.00024751136405
                3d
                   -2 :              -0.00005786905800
                   -1 :               0.00028233352284
                   +0 :              -0.00020113807411
                   +1 :               0.00015577102412
                   +2 :               0.00017454338391
              4 vec=    -5.186775     -6.231434    -10.693237   |vec|=   13.419341
                2s
                   +0 :               0.00029569703831
                2p
                   -1 :              -0.00000305757746
                   +0 :              -0.00001916432992
                   +1 :              -0.00005966223010
                3s
                   +0 :              -0.00276159649483
                4s
                   +0 :               0.00048086178357
                3p
                   -1 :               0.00077201719413
                   +0 :               0.00112379183493
                   +1 :               0.00142043505982
                4p
                   -1 :              -0.00011289497180
                   +0 :              -0.00010054169761
                   +1 :              -0.00007525139415
                3d
                   -2 :              -0.00032175463942
                   -1 :              -0.00016537114748
                   +0 :              -0.00027057216093
                   +1 :              -0.00048906187089
                   +2 :              -0.00020457308345
              5 vec=     2.593388     -1.739555     13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00000719268853
                2p
                   -1 :              -0.00000376462096
                   +0 :               0.00001801564744
                   +1 :               0.00012019178455
                3s
                   +0 :               0.00013474798696
                4s
                   +0 :              -0.00005266337197
                3p
                   -1 :               0.00001812030410
                   +0 :              -0.00011168325476
                   +1 :              -0.00052647011637
                4p
                   -1 :               0.00001705831333
                   +0 :               0.00004691158095
                   +1 :               0.00010473530550
                3d
                   -2 :              -0.00003205648781
                   -1 :              -0.00002286413883
                   +0 :              -0.00001081160262
                   +1 :              -0.00005263634270
                   +2 :              -0.00007547669947
              6 vec=    -5.186775      2.752324     13.854306   |vec|=   15.047249
                2s
                   +0 :              -0.00019014982974
                2p
                   -1 :              -0.00007384733076
                   +0 :              -0.00002613499168
                   +1 :               0.00012696628364
                3s
                   +0 :               0.00055558123543
                4s
                   +0 :              -0.00011278971023
                3p
                   -1 :               0.00030414065944
                   +0 :               0.00002263915298
                   +1 :              -0.00038067625913
                4p
                   -1 :              -0.00006955880960
                   +0 :              -0.00002294178662
                   +1 :               0.00002476900883
                3d
                   -2 :              -0.00011873325059
                   -1 :              -0.00001120636562
                   +0 :              -0.00008573690348
                   +1 :              -0.00001530674986
                   +2 :               0.00005570524127
              7 vec=    10.373550      2.752324    -10.693237   |vec|=   15.150285
                2s
                   +0 :              -0.00001232586853
                2p
                   -1 :               0.00004693415449
                   +0 :               0.00002340996165
                   +1 :              -0.00003168042025
                3s
                   +0 :               0.00010502651468
                4s
                   +0 :              -0.00002846963000
                3p
                   -1 :              -0.00025756806840
                   +0 :              -0.00022567400075
                   +1 :               0.00025796893940
                4p
                   -1 :               0.00002127636731
                   +0 :               0.00004700607668
                   +1 :              -0.00006032025986
                3d
                   -2 :               0.00000455167017
                   -1 :               0.00001849491783
                   +0 :              -0.00004410744445
                   +1 :              -0.00005924594473
                   +2 :               0.00003343897088
              8 vec=     2.593388    -10.723313    -10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00005952266524
                2p
                   -1 :              -0.00000962769869
                   +0 :               0.00000104196285
                   +1 :               0.00003207210112
                3s
                   +0 :              -0.00003143811633
                4s
                   +0 :              -0.00003383348368
                3p
                   -1 :               0.00002454200763
                   +0 :              -0.00009467676933
                   +1 :              -0.00016857614274
                4p
                   -1 :               0.00001905115321
                   +0 :               0.00005475666197
                   +1 :               0.00004203942518
                3d
                   -2 :               0.00002133809779
                   -1 :               0.00000602946447
                   +0 :              -0.00001029077898
                   +1 :               0.00001318502014
                   +2 :              -0.00003069034395
              9 vec=     2.593388      7.244203     13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00006301619339
                2p
                   -1 :              -0.00001548369421
                   +0 :              -0.00002284112291
                   +1 :               0.00000129843411
                3s
                   +0 :               0.00059062072152
                4s
                   +0 :              -0.00013597947195
                3p
                   -1 :               0.00023618045344
                   +0 :               0.00032359149399
                   +1 :               0.00018459271266
                4p
                   -1 :              -0.00002294145332
                   +0 :              -0.00011283288099
                   +1 :              -0.00002474992821
                3d
                   -2 :               0.00001565160773
                   -1 :               0.00006597835021
                   +0 :               0.00003716680276
                   +1 :               0.00002713966859
                   +2 :               0.00003526018460
             10 vec=    -5.186775     -6.231434     13.854306   |vec|=   16.052264
                2s
                   +0 :               0.00001818563698
                2p
                   -1 :              -0.00001289025270
                   +0 :               0.00000284777177
                   +1 :               0.00002336224313
                3s
                   +0 :               0.00047605427396
                4s
                   +0 :              -0.00009334954118
                3p
                   -1 :              -0.00027948670057
                   +0 :               0.00025897032287
                   +1 :              -0.00014190951542
                4p
                   -1 :              -0.00002460450097
                   +0 :              -0.00010318857727
                   +1 :               0.00005862048046
                3d
                   -2 :               0.00006206599531
                   -1 :               0.00001323530791
                   +0 :               0.00001856368796
                   +1 :              -0.00004780922240
                   +2 :              -0.00009212977997
             11 vec=    10.373550     -6.231434    -10.693237   |vec|=   16.148889
                2s
                   +0 :              -0.00026601413315
                2p
                   -1 :               0.00003979749285
                   +0 :               0.00008184306726
                   +1 :              -0.00007578179357
                3s
                   +0 :               0.00108832894718
                4s
                   +0 :              -0.00039666848972
                3p
                   -1 :              -0.00020056624601
                   +0 :              -0.00045535370800
                   +1 :               0.00043399209110
                4p
                   -1 :               0.00003282770489
                   +0 :               0.00015792390739
                   +1 :              -0.00011708623507
                3d
                   -2 :              -0.00006471240675
                   -1 :               0.00004556308211
                   +0 :               0.00001765373719
                   +1 :              -0.00006879000083
                   +2 :               0.00001977588475
             12 vec=    -5.186775     11.736082    -10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00006384054290
                2p
                   -1 :              -0.00002772767572
                   +0 :               0.00004612027027
                   +1 :               0.00001849483674
                3s
                   +0 :               0.00021694240186
                4s
                   +0 :              -0.00009032072422
                3p
                   -1 :               0.00024902799879
                   +0 :              -0.00028748269633
                   +1 :              -0.00012108964729
                4p
                   -1 :              -0.00005487150821
                   +0 :               0.00006956926027
                   +1 :               0.00000602361557
                3d
                   -2 :              -0.00005860760454
                   -1 :              -0.00007577851571
                   +0 :               0.00004188162841
                   +1 :               0.00003756858685
                   +2 :               0.00001261422282
             13 vec=   -12.966938     -1.739555    -10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00005979983537
                2p
                   -1 :              -0.00000464147435
                   +0 :              -0.00001147725264
                   +1 :               0.00000855039616
                3s
                   +0 :              -0.00029209230873
                4s
                   +0 :               0.00003102597354
                3p
                   -1 :               0.00005925122463
                   +0 :               0.00007674802944
                   +1 :              -0.00011628479515
                4p
                   -1 :              -0.00000910401401
                   +0 :               0.00000718287453
                   +1 :               0.00004864907074
                3d
                   -2 :               0.00000090701986
                   -1 :              -0.00003079092679
                   +0 :              -0.00002836963787
                   +1 :               0.00000291782957
                   +2 :               0.00003015683978
             14 vec=    10.373550      2.752324     13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00000594730042
                2p
                   -1 :              -0.00001092297278
                   +0 :               0.00000052038685
                   +1 :               0.00000849437861
                3s
                   +0 :               0.00019592636904
                4s
                   +0 :              -0.00000174254359
                3p
                   -1 :               0.00013887969779
                   +0 :               0.00005042844905
                   +1 :               0.00016177261961
                4p
                   -1 :              -0.00004343494634
                   +0 :              -0.00000167999209
                   +1 :               0.00001816046553
                3d
                   -2 :               0.00008523889614
                   -1 :               0.00002583729571
                   +0 :              -0.00003473918395
                   +1 :               0.00004720921284
                   +2 :               0.00007817445912
             15 vec=     2.593388    -10.723313     13.854306   |vec|=   17.710361
                2s
                   +0 :               0.00000418202508
                2p
                   -1 :               0.00000585808297
                   +0 :              -0.00001529263019
                   +1 :               0.00001064762489
                3s
                   +0 :              -0.00016877370713
                4s
                   +0 :              -0.00003252291006
                3p
                   -1 :               0.00009630000034
                   +0 :               0.00008151210432
                   +1 :              -0.00000497879241
                4p
                   -1 :               0.00001896934652
                   +0 :              -0.00002030149446
                   +1 :               0.00002674444162
                3d
                   -2 :              -0.00003471893122
                   -1 :              -0.00003125095453
                   +0 :               0.00002432849128
                   +1 :               0.00000776802633
                   +2 :               0.00006418368254
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Cr(  3)  npairs=  14
              1 vec=     2.593388     -1.739555      1.580534   |vec|=    3.499971
                3s
                   +0 :              -0.04177571701933
                3p
                   -1 :               0.03262788190634
                   +0 :              -0.00880554884047
                   +1 :              -0.04916159921847
                4s
                   +0 :              -0.00900212458445
                5s
                   +0 :              -0.00410838035361
                3d
                   -2 :               0.03541161911767
                   -1 :               0.00015544412061
                   +0 :               0.03705761559256
                   +1 :               0.00237480347209
                   +2 :              -0.01258861306244
                4d
                   -2 :               0.00464092715568
                   -1 :              -0.00404526055413
                   +0 :               0.00440859556977
                   +1 :               0.00321285203670
                   +2 :              -0.00133411870804
                4p
                   -1 :               0.01519822953029
                   +0 :               0.01084794459561
                   +1 :              -0.02424332908462
              2 vec=    -5.186775      2.752324      1.580534   |vec|=    6.080790
                3s
                   +0 :               0.00261743803704
                3p
                   -1 :              -0.00015996513572
                   +0 :              -0.00070606754874
                   +1 :              -0.00194948421749
                4s
                   +0 :              -0.00358293083341
                5s
                   +0 :               0.00103829766702
                3d
                   -2 :               0.00449610455166
                   -1 :              -0.00067545245906
                   +0 :              -0.00193124025806
                   +1 :               0.00089184799207
                   +2 :              -0.00173206311511
                4d
                   -2 :               0.00228387786511
                   -1 :               0.00039526223177
                   +0 :               0.00084047196981
                   +1 :              -0.00059236012492
                   +2 :              -0.00067904102695
                4p
                   -1 :              -0.00131771051244
                   +0 :              -0.00117032563132
                   +1 :               0.00193030373316
              3 vec=     2.593388      7.244203      1.580534   |vec|=    7.855076
                3s
                   +0 :               0.00063988738560
                3p
                   -1 :               0.00060784000042
                   +0 :               0.00006789015773
                   +1 :               0.00091569940427
                4s
                   +0 :               0.00263395689440
                5s
                   +0 :              -0.00019937790397
                3d
                   -2 :               0.00077716541664
                   -1 :               0.00051985382986
                   +0 :              -0.00221055909276
                   +1 :              -0.00016030862935
                   +2 :              -0.00274653658567
                4d
                   -2 :              -0.00080642124482
                   -1 :               0.00080668915520
                   +0 :              -0.00066977537393
                   +1 :              -0.00006337956000
                   +2 :              -0.00132364760540
                4p
                   -1 :               0.00383965840505
                   +0 :              -0.00004507517670
                   +1 :              -0.00105760823271
              4 vec=    -5.186775     -6.231434      1.580534   |vec|=    8.260236
                3s
                   +0 :               0.00051586146259
                3p
                   -1 :              -0.00082938887577
                   +0 :              -0.00026403315015
                   +1 :              -0.00018274824197
                4s
                   +0 :              -0.00126425174882
                5s
                   +0 :               0.00028143382773
                3d
                   -2 :               0.00130980919800
                   -1 :              -0.00067601776681
                   +0 :              -0.00065309494758
                   +1 :               0.00052457489666
                   +2 :              -0.00006081071962
                4d
                   -2 :              -0.00061664188754
                   -1 :              -0.00002796647617
                   +0 :               0.00018815889150
                   +1 :              -0.00087398100037
                   +2 :               0.00103737743947
                4p
                   -1 :               0.00111092544572
                   +0 :               0.00053868357862
                   +1 :              -0.00023327736468
              5 vec=    10.373550      2.752324      1.580534   |vec|=   10.848222
                3s
                   +0 :              -0.00031632080363
                3p
                   -1 :              -0.00009916242789
                   +0 :              -0.00002542913412
                   +1 :              -0.00019965199970
                4s
                   +0 :              -0.00009318100126
                5s
                   +0 :               0.00002568561398
                3d
                   -2 :              -0.00029987031151
                   -1 :               0.00069804986843
                   +0 :              -0.00015542730335
                   +1 :               0.00064199540964
                   +2 :              -0.00018304184582
                4d
                   -2 :              -0.00018562615997
                   -1 :              -0.00020067632746
                   +0 :              -0.00005251276613
                   +1 :               0.00014880315809
                   +2 :              -0.00008681489178
                4p
                   -1 :              -0.00030061156528
                   +0 :               0.00026846811592
                   +1 :               0.00012792452624
              6 vec=     2.593388    -10.723313      1.580534   |vec|=   11.145097
                3s
                   +0 :              -0.00019691971586
                3p
                   -1 :               0.00022535978539
                   +0 :               0.00008355031492
                   +1 :               0.00009366579509
                4s
                   +0 :              -0.00046210256898
                5s
                   +0 :               0.00013419912485
                3d
                   -2 :               0.00009870528476
                   -1 :              -0.00015289883731
                   +0 :              -0.00000869748039
                   +1 :              -0.00014421708771
                   +2 :               0.00021665265318
                4d
                   -2 :              -0.00013468843330
                   -1 :              -0.00008274026394
                   +0 :              -0.00015999584790
                   +1 :               0.00013219689508
                   +2 :               0.00036135364664
                4p
                   -1 :               0.00011748068501
                   +0 :              -0.00013380302878
                   +1 :               0.00002162990029
              7 vec=    10.373550     -6.231434      1.580534   |vec|=   12.204073
                3s
                   +0 :              -0.00030723065695
                3p
                   -1 :              -0.00024632903767
                   +0 :               0.00004883860581
                   +1 :              -0.00022388745791
                4s
                   +0 :               0.00092435947701
                5s
                   +0 :               0.00004206162453
                3d
                   -2 :               0.00006494328315
                   -1 :              -0.00029115078688
                   +0 :               0.00043178333834
                   +1 :               0.00018125643751
                   +2 :              -0.00012021532806
                4d
                   -2 :              -0.00007907534643
                   -1 :              -0.00016406951990
                   +0 :              -0.00002394693012
                   +1 :               0.00037589040653
                   +2 :               0.00008587618059
                4p
                   -1 :               0.00019537785512
                   +0 :               0.00032954843060
                   +1 :               0.00049850427932
              8 vec=    -5.186775     11.736082      1.580534   |vec|=   12.928122
                3s
                   +0 :              -0.00020371610699
                3p
                   -1 :              -0.00027002389023
                   +0 :              -0.00018699097619
                   +1 :              -0.00007618266534
                4s
                   +0 :               0.00036070073872
                5s
                   +0 :               0.00001207373851
                3d
                   -2 :               0.00013858527343
                   -1 :              -0.00013032421231
                   +0 :              -0.00014282424280
                   +1 :              -0.00012303003444
                   +2 :               0.00013392106233
                4d
                   -2 :              -0.00005778024660
                   -1 :               0.00025795286299
                   +0 :              -0.00007537525684
                   +1 :              -0.00009788067572
                   +2 :              -0.00030011717746
                4p
                   -1 :               0.00053361687229
                   +0 :               0.00044031793819
                   +1 :               0.00021306986835
              9 vec=   -12.966938     -1.739555      1.580534   |vec|=   13.178225
                3s
                   +0 :              -0.00033979027082
                3p
                   -1 :               0.00011451664431
                   +0 :              -0.00005016897257
                   +1 :               0.00021901718414
                4s
                   +0 :               0.00056758031979
                5s
                   +0 :              -0.00005465677785
                3d
                   -2 :               0.00001379444556
                   -1 :               0.00007444363864
                   +0 :              -0.00010358745604
                   +1 :              -0.00002156634313
                   +2 :               0.00010508279723
                4d
                   -2 :               0.00016964484850
                   -1 :              -0.00006260933788
                   +0 :              -0.00007820300454
                   +1 :              -0.00016903250489
                   +2 :               0.00002407266377
                4p
                   -1 :              -0.00024368815211
                   +0 :               0.00006085307625
                   +1 :              -0.00038597281817
             10 vec=   -12.966938      7.244203      1.580534   |vec|=   14.937136
                3s
                   +0 :              -0.00007851627096
                3p
                   -1 :               0.00000218636052
                   +0 :              -0.00007924044455
                   +1 :              -0.00006056384053
                4s
                   +0 :               0.00030145894477
                5s
                   +0 :              -0.00006077006070
                3d
                   -2 :               0.00004234576004
                   -1 :               0.00001304283976
                   +0 :              -0.00004142733851
                   +1 :              -0.00007095528249
                   +2 :              -0.00004713974020
                4d
                   -2 :              -0.00000043430990
                   -1 :               0.00000860763206
                   +0 :              -0.00003783206510
                   +1 :               0.00001527077688
                   +2 :              -0.00002225402345
                4p
                   -1 :               0.00002945939628
                   +0 :               0.00013946047022
                   +1 :               0.00003052299195
             11 vec=    10.373550     11.736082      1.580534   |vec|=   15.743070
                3s
                   +0 :              -0.00003363614268
                3p
                   -1 :              -0.00001802031878
                   +0 :               0.00002721007793
                   +1 :               0.00001211315930
                4s
                   +0 :               0.00008591984886
                5s
                   +0 :              -0.00001489782099
                3d
                   -2 :              -0.00009298134567
                   -1 :               0.00010202944583
                   +0 :              -0.00009338672589
                   +1 :               0.00014615477874
                   +2 :              -0.00006465653901
                4d
                   -2 :               0.00006161129411
                   -1 :               0.00003271382799
                   +0 :               0.00001780590572
                   +1 :              -0.00000755882194
                   +2 :              -0.00002185654988
                4p
                   -1 :               0.00007182855593
                   +0 :               0.00004232632003
                   +1 :              -0.00000681101709
             12 vec=    -5.186775    -15.215192      1.580534   |vec|=   16.152486
                3s
                   +0 :              -0.00000009003677
                3p
                   -1 :               0.00000596226507
                   +0 :              -0.00002050075734
                   +1 :               0.00002080893446
                4s
                   +0 :              -0.00009676150403
                5s
                   +0 :               0.00000163169634
                3d
                   -2 :              -0.00000941149812
                   -1 :              -0.00012234818190
                   +0 :              -0.00003516843961
                   +1 :              -0.00000282722888
                   +2 :               0.00007375731589
                4d
                   -2 :               0.00001879854163
                   -1 :              -0.00002291416386
                   +0 :              -0.00002284474635
                   +1 :              -0.00001679501482
                   +2 :               0.00002596376748
                4p
                   -1 :               0.00001261056404
                   +0 :               0.00008585839412
                   +1 :              -0.00003879440675
             13 vec=     2.593388     16.227961      1.580534   |vec|=   16.509708
                3s
                   +0 :               0.00003962960679
                3p
                   -1 :               0.00002816150160
                   +0 :               0.00000413401830
                   +1 :               0.00000087753051
                4s
                   +0 :               0.00000421553413
                5s
                   +0 :              -0.00004281613439
                3d
                   -2 :              -0.00003785275417
                   -1 :               0.00003074108820
                   +0 :              -0.00009353682841
                   +1 :              -0.00003255381789
                   +2 :              -0.00010501812083
                4d
                   -2 :               0.00001828596782
                   -1 :              -0.00001787672344
                   +0 :               0.00003787089090
                   +1 :               0.00001108122296
                   +2 :              -0.00001154518989
                4p
                   -1 :               0.00000131738049
                   +0 :               0.00000150718486
                   +1 :              -0.00000068453972
             14 vec=   -12.966938    -10.723313      1.580534   |vec|=   16.900562
                3s
                   +0 :              -0.00000834536728
                3p
                   -1 :               0.00004332876021
                   +0 :               0.00000830697760
                   +1 :               0.00001944505144
                4s
                   +0 :              -0.00002958331936
                5s
                   +0 :               0.00000839375882
                3d
                   -2 :               0.00000423028779
                   -1 :              -0.00002425091980
                   +0 :              -0.00002316500078
                   +1 :              -0.00005076623287
                   +2 :               0.00008767250882
                4d
                   -2 :               0.00005816152012
                   -1 :              -0.00001285531574
                   +0 :              -0.00002661431213
                   +1 :               0.00001393982285
                   +2 :              -0.00001623185488
                4p
                   -1 :              -0.00008047061387
                   +0 :              -0.00001748245392
                   +1 :              -0.00004163560264
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al(  4)  npairs=  14
              1 vec=     2.593388     -1.739555     -5.671791   |vec|=    6.474637
                2s
                   +0 :               0.00421208010931
                2p
                   -1 :              -0.00145569191165
                   +0 :              -0.00256955094182
                   +1 :               0.00193520673330
                3s
                   +0 :              -0.00968581140386
                4s
                   +0 :               0.00674566658024
                3p
                   -1 :               0.00450713386331
                   +0 :               0.00860625468391
                   +1 :              -0.00748647780588
                4p
                   -1 :              -0.00209148870293
                   +0 :              -0.00451806538226
                   +1 :               0.00350353764888
                3d
                   -2 :              -0.00124461049287
                   -1 :              -0.00043358859233
                   +0 :              -0.00089136117345
                   +1 :               0.00101946961603
                   +2 :               0.00022976432132
              2 vec=    -5.186775      2.752324     -5.671791   |vec|=    8.163770
                2s
                   +0 :              -0.00107079175893
                2p
                   -1 :              -0.00046519988176
                   +0 :               0.00056150425186
                   +1 :               0.00123875589898
                3s
                   +0 :              -0.01393302849330
                4s
                   +0 :              -0.00134126713284
                3p
                   -1 :              -0.00889723514239
                   +0 :               0.00046870954616
                   +1 :               0.00512883956300
                4p
                   -1 :               0.00015331431699
                   +0 :               0.00038711737745
                   +1 :               0.00198708211903
                3d
                   -2 :               0.00419793981593
                   -1 :               0.00068356873413
                   +0 :               0.00259786162806
                   +1 :              -0.00011428190402
                   +2 :              -0.00039341952027
              3 vec=     2.593388      7.244203     -5.671791   |vec|=    9.558941
                2s
                   +0 :              -0.00039715806598
                2p
                   -1 :               0.00087920201906
                   +0 :               0.00008206037020
                   +1 :              -0.00060891223285
                3s
                   +0 :               0.00057169868596
                4s
                   +0 :              -0.00007467759723
                3p
                   -1 :              -0.00371081210088
                   +0 :              -0.00060845131336
                   +1 :               0.00312290106008
                4p
                   -1 :               0.00087090281656
                   +0 :               0.00025363572146
                   +1 :              -0.00063905669970
                3d
                   -2 :              -0.00065358330288
                   -1 :               0.00084133429169
                   +0 :              -0.00018780180235
                   +1 :              -0.00030684567528
                   +2 :               0.00073806245390
              4 vec=    -5.186775     -6.231434     -5.671791   |vec|=    9.894576
                2s
                   +0 :               0.00012791190102
                2p
                   -1 :               0.00021697176963
                   +0 :              -0.00036037936962
                   +1 :               0.00014025259033
                3s
                   +0 :              -0.00028943380771
                4s
                   +0 :              -0.00001125091503
                3p
                   -1 :              -0.00106312489792
                   +0 :               0.00223934183619
                   +1 :              -0.00058594066878
                4p
                   -1 :               0.00041794920699
                   +0 :              -0.00058692906799
                   +1 :               0.00037702532728
                3d
                   -2 :              -0.00013588539224
                   -1 :              -0.00035338863190
                   +0 :              -0.00021798375876
                   +1 :              -0.00024064195253
                   +2 :              -0.00033318747971
              5 vec=    10.373550      2.752324     -5.671791   |vec|=   12.138989
                2s
                   +0 :              -0.00024531726358
                2p
                   -1 :              -0.00015016651650
                   +0 :               0.00015754238991
                   +1 :              -0.00010372138024
                3s
                   +0 :               0.00012572424729
                4s
                   +0 :              -0.00037932954414
                3p
                   -1 :              -0.00001830183438
                   +0 :               0.00013786295820
                   +1 :               0.00034169755430
                4p
                   -1 :              -0.00019492139474
                   +0 :               0.00018144074384
                   +1 :              -0.00019722584761
                3d
                   -2 :              -0.00019812113261
                   -1 :               0.00021365679187
                   +0 :              -0.00020184309145
                   +1 :               0.00009180093720
                   +2 :               0.00019076334590
              6 vec=     2.593388    -10.723313     -5.671791   |vec|=   12.405012
                2s
                   +0 :              -0.00043225538775
                2p
                   -1 :               0.00025818698765
                   +0 :               0.00015634070875
                   +1 :               0.00004959138163
                3s
                   +0 :               0.00150122950077
                4s
                   +0 :              -0.00026519141921
                3p
                   -1 :              -0.00129827931856
                   +0 :              -0.00042298842443
                   +1 :               0.00008875536811
                4p
                   -1 :               0.00015962599430
                   +0 :               0.00016947202244
                   +1 :               0.00013627839513
                3d
                   -2 :              -0.00015289858445
                   -1 :               0.00022200836021
                   +0 :              -0.00016455060527
                   +1 :              -0.00012193849498
                   +2 :              -0.00038160686359
              7 vec=    10.373550     -6.231434     -5.671791   |vec|=   13.364525
                2s
                   +0 :               0.00024041025057
                2p
                   -1 :               0.00002966026927
                   +0 :              -0.00001601957696
                   +1 :               0.00015647831164
                3s
                   +0 :              -0.00086550449478
                4s
                   +0 :               0.00022090091979
                3p
                   -1 :              -0.00006382725615
                   +0 :              -0.00008947558203
                   +1 :              -0.00086174350360
                4p
                   -1 :               0.00002361159302
                   +0 :               0.00011192515037
                   +1 :               0.00018140039289
                3d
                   -2 :              -0.00008896774229
                   -1 :               0.00008790439077
                   +0 :              -0.00008831011473
                   +1 :               0.00007037922936
                   +2 :              -0.00021588977272
              8 vec=    -5.186775     11.736082     -5.671791   |vec|=   14.028809
                2s
                   +0 :              -0.00039084744233
                2p
                   -1 :              -0.00012862387752
                   +0 :               0.00005673834412
                   +1 :               0.00026802911028
                3s
                   +0 :               0.00076443103864
                4s
                   +0 :              -0.00016078740385
                3p
                   -1 :               0.00027879613393
                   +0 :              -0.00023487139485
                   +1 :              -0.00111042565296
                4p
                   -1 :               0.00004417699839
                   +0 :               0.00003949926468
                   +1 :               0.00017989855908
                3d
                   -2 :              -0.00024356860960
                   -1 :              -0.00010514244075
                   +0 :              -0.00010749732509
                   +1 :               0.00013657803296
                   +2 :               0.00012055002993
              9 vec=   -12.966938     -1.739555     -5.671791   |vec|=   14.259619
                2s
                   +0 :               0.00003091803462
                2p
                   -1 :              -0.00005167830991
                   +0 :               0.00002170177307
                   +1 :              -0.00006001634605
                3s
                   +0 :              -0.00021201235048
                4s
                   +0 :              -0.00004515118134
                3p
                   -1 :               0.00039559048334
                   +0 :              -0.00028217100804
                   +1 :               0.00024338288591
                4p
                   -1 :              -0.00004978932901
                   +0 :               0.00007798336740
                   +1 :               0.00000408765634
                3d
                   -2 :              -0.00006340779653
                   -1 :              -0.00003961527328
                   +0 :              -0.00002633541315
                   +1 :              -0.00000000812117
                   +2 :              -0.00015424632272
             10 vec=   -12.966938      7.244203     -5.671791   |vec|=   15.899345
                2s
                   +0 :              -0.00007835022583
                2p
                   -1 :              -0.00000039158385
                   +0 :              -0.00002131867847
                   +1 :               0.00002828361423
                3s
                   +0 :               0.00001496857219
                4s
                   +0 :              -0.00003582979298
                3p
                   -1 :              -0.00001744005389
                   +0 :               0.00016336783765
                   +1 :              -0.00000084557355
                4p
                   -1 :               0.00001035700729
                   +0 :              -0.00006930134328
                   +1 :               0.00001130642897
                3d
                   -2 :              -0.00000332617167
                   -1 :              -0.00000772779049
                   +0 :               0.00000779652471
                   +1 :              -0.00002911933589
                   +2 :              -0.00002655745094
             11 vec=    10.373550     11.736082     -5.671791   |vec|=   16.658793
                2s
                   +0 :               0.00002996628660
                2p
                   -1 :              -0.00003336139014
                   +0 :               0.00000051492500
                   +1 :               0.00000487133475
                3s
                   +0 :              -0.00019223923329
                4s
                   +0 :               0.00002139083266
                3p
                   -1 :               0.00018419001178
                   +0 :               0.00010219555763
                   +1 :              -0.00015271093331
                4p
                   -1 :              -0.00006527490553
                   +0 :              -0.00002535505968
                   +1 :               0.00001988462477
                3d
                   -2 :               0.00002348615303
                   -1 :              -0.00002246373296
                   +0 :              -0.00001328564780
                   +1 :               0.00005857389377
                   +2 :              -0.00003205667870
             12 vec=    -5.186775    -15.215192     -5.671791   |vec|=   17.046229
                2s
                   +0 :              -0.00006819394715
                2p
                   -1 :               0.00005659263265
                   +0 :               0.00000199733691
                   +1 :               0.00000407853514
                3s
                   +0 :               0.00016890597288
                4s
                   +0 :              -0.00007929329220
                3p
                   -1 :              -0.00018526576851
                   +0 :               0.00011206256501
                   +1 :              -0.00006132949855
                4p
                   -1 :               0.00006129820143
                   +0 :              -0.00002251845624
                   +1 :               0.00001023139781
                3d
                   -2 :               0.00003025730703
                   -1 :              -0.00002096928342
                   +0 :              -0.00003829686478
                   +1 :               0.00000326149117
                   +2 :              -0.00002868137912
             13 vec=     2.593388     16.227961     -5.671791   |vec|=   17.385097
                2s
                   +0 :              -0.00000181559882
                2p
                   -1 :               0.00001855033241
                   +0 :               0.00000096600416
                   +1 :               0.00000767011559
                3s
                   +0 :              -0.00012268740361
                4s
                   +0 :               0.00007084539783
                3p
                   -1 :              -0.00016230875845
                   +0 :               0.00005863117173
                   +1 :              -0.00003131981012
                4p
                   -1 :               0.00007516221692
                   +0 :              -0.00003860192840
                   +1 :               0.00000353109255
                3d
                   -2 :               0.00001988487420
                   -1 :               0.00000637553124
                   +0 :              -0.00002887992120
                   +1 :               0.00002713602869
                   +2 :               0.00002984437517
             14 vec=   -12.966938    -10.723313     -5.671791   |vec|=   17.756693
                2s
                   +0 :              -0.00001498388757
                2p
                   -1 :              -0.00000000866135
                   +0 :              -0.00000003697604
                   +1 :               0.00002391975426
                3s
                   +0 :               0.00003832203518
                4s
                   +0 :              -0.00002608082974
                3p
                   -1 :               0.00002846212160
                   +0 :              -0.00002094913128
                   +1 :              -0.00011968808160
                4p
                   -1 :              -0.00000976485639
                   +0 :               0.00001182955727
                   +1 :               0.00003422005769
                3d
                   -2 :               0.00000204817920
                   -1 :              -0.00000387859672
                   +0 :              -0.00000307508893
                   +1 :               0.00001882229122
                   +2 :               0.00000932946148
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al(  5)  npairs=  13
              1 vec=     0.000000      2.752324     -9.763130   |vec|=   10.143668
                2s
                   +0 :              -0.00040741473009
                2p
                   -1 :              -0.00031583940544
                   +0 :              -0.00025221950230
                   +1 :               0.00007567628070
                3s
                   +0 :              -0.00041334341698
                4s
                   +0 :               0.00016740492054
                3p
                   -1 :               0.00136679987058
                   +0 :               0.00210743100385
                   +1 :              -0.00053090743785
                4p
                   -1 :              -0.00013261236287
                   +0 :              -0.00072855369820
                   +1 :               0.00011305591078
                3d
                   -2 :               0.00025110430623
                   -1 :               0.00068707068093
                   +0 :              -0.00013503918936
                   +1 :              -0.00011307649546
                   +2 :               0.00007797358900
              2 vec=     0.000000     -6.231434     -9.763130   |vec|=   11.582292
                2s
                   +0 :               0.00075357708808
                2p
                   -1 :              -0.00010545560689
                   +0 :              -0.00016564618387
                   +1 :              -0.00003585024697
                3s
                   +0 :              -0.00249320629511
                4s
                   +0 :               0.00108892254785
                3p
                   -1 :               0.00059807830067
                   +0 :               0.00133525815497
                   +1 :               0.00019149411458
                4p
                   -1 :              -0.00018579715388
                   +0 :              -0.00047632209440
                   +1 :              -0.00012550944643
                3d
                   -2 :              -0.00000044816302
                   -1 :              -0.00007712180480
                   +0 :              -0.00028467374119
                   +1 :              -0.00000354722424
                   +2 :              -0.00023921628191
              3 vec=    -7.780163     -1.739555     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00036494096562
                2p
                   -1 :               0.00020195439442
                   +0 :               0.00015276353943
                   +1 :               0.00038584178309
                3s
                   +0 :              -0.00265870689334
                4s
                   +0 :              -0.00011771310748
                3p
                   -1 :               0.00136436923723
                   +0 :               0.00042572392868
                   +1 :               0.00117222774031
                4p
                   -1 :               0.00004535133156
                   +0 :              -0.00010174080134
                   +1 :               0.00027568633895
                3d
                   -2 :              -0.00075150619071
                   -1 :              -0.00012411713338
                   +0 :               0.00045481100095
                   +1 :              -0.00011342504626
                   +2 :              -0.00019329831603
              4 vec=     7.780163     -1.739555     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00003907856043
                2p
                   -1 :              -0.00006970922095
                   +0 :               0.00004387361875
                   +1 :              -0.00017274768363
                3s
                   +0 :              -0.00151204921325
                4s
                   +0 :              -0.00012783144016
                3p
                   -1 :               0.00094233705508
                   +0 :               0.00028703581997
                   +1 :              -0.00076455221776
                4p
                   -1 :              -0.00012589278196
                   +0 :               0.00006940316593
                   +1 :              -0.00028432892525
                3d
                   -2 :               0.00027996494640
                   -1 :               0.00003784010137
                   +0 :               0.00023565998988
                   +1 :               0.00018906330442
                   +2 :              -0.00028368476913
              5 vec=    -7.780163      7.244203     -9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00000100137073
                2p
                   -1 :              -0.00018708427014
                   +0 :              -0.00002695790692
                   +1 :              -0.00007291270027
                3s
                   +0 :              -0.00008206782754
                4s
                   +0 :              -0.00004546229521
                3p
                   -1 :               0.00086687775743
                   +0 :               0.00014187090447
                   +1 :               0.00028623666979
                4p
                   -1 :              -0.00018669551558
                   +0 :              -0.00003904383969
                   +1 :              -0.00001338925802
                3d
                   -2 :              -0.00010037627042
                   -1 :              -0.00010685670186
                   +0 :               0.00001319447352
                   +1 :              -0.00008172651769
                   +2 :              -0.00015536774026
              6 vec=     7.780163      7.244203     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00010450548850
                2p
                   -1 :               0.00003989427217
                   +0 :              -0.00002144760330
                   +1 :               0.00014234596768
                3s
                   +0 :              -0.00041703308733
                4s
                   +0 :               0.00019669987706
                3p
                   -1 :              -0.00018365830334
                   +0 :               0.00008379759464
                   +1 :              -0.00073983405382
                4p
                   -1 :               0.00012480196264
                   +0 :              -0.00000752902250
                   +1 :               0.00019921156324
                3d
                   -2 :               0.00000535640748
                   -1 :              -0.00000564351857
                   +0 :               0.00002426667820
                   +1 :               0.00011517260241
                   +2 :              -0.00009615058302
              7 vec=     0.000000      2.752324     14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00000556082969
                2p
                   -1 :               0.00003106575163
                   +0 :               0.00000581337637
                   +1 :              -0.00009991334041
                3s
                   +0 :               0.00019194515370
                4s
                   +0 :              -0.00009051975088
                3p
                   -1 :              -0.00038851965466
                   +0 :               0.00009309304898
                   +1 :               0.00061482279695
                4p
                   -1 :               0.00003701343799
                   +0 :              -0.00006474913877
                   +1 :              -0.00014754769387
                3d
                   -2 :              -0.00002970266604
                   -1 :              -0.00010672273010
                   +0 :               0.00002758277930
                   +1 :               0.00006375988532
                   +2 :               0.00000053909188
              8 vec=     0.000000     11.736082     -9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00016129847576
                2p
                   -1 :              -0.00011942167878
                   +0 :               0.00016724868580
                   +1 :               0.00001043827767
                3s
                   +0 :               0.00038114457592
                4s
                   +0 :              -0.00019092191303
                3p
                   -1 :               0.00052215495259
                   +0 :              -0.00070790229169
                   +1 :              -0.00013680296567
                4p
                   -1 :              -0.00015819860435
                   +0 :               0.00021831967120
                   +1 :               0.00009090778492
                3d
                   -2 :               0.00002288516617
                   -1 :              -0.00024938960247
                   +0 :               0.00004124953986
                   +1 :              -0.00002057511982
                   +2 :              -0.00008740587643
              9 vec=     0.000000     -6.231434     14.784412   |vec|=   16.043990
                2s
                   +0 :              -0.00003450567693
                2p
                   -1 :               0.00000868638656
                   +0 :              -0.00000146057116
                   +1 :              -0.00004627675831
                3s
                   +0 :               0.00018207266439
                4s
                   +0 :               0.00002435172010
                3p
                   -1 :               0.00010022520502
                   +0 :              -0.00001414498377
                   +1 :               0.00026888268534
                4p
                   -1 :              -0.00004488612621
                   +0 :               0.00005657203138
                   +1 :              -0.00002949667549
                3d
                   -2 :               0.00009369471909
                   -1 :               0.00001029630157
                   +0 :               0.00002157924095
                   +1 :               0.00002038680187
                   +2 :              -0.00003111591074
             10 vec=    -7.780163    -10.723313     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00006996028617
                2p
                   -1 :              -0.00003943916252
                   +0 :              -0.00000194561080
                   +1 :              -0.00000953231209
                3s
                   +0 :              -0.00020900551475
                4s
                   +0 :               0.00006693811886
                3p
                   -1 :               0.00013360262011
                   +0 :              -0.00001489100407
                   +1 :              -0.00000978113480
                4p
                   -1 :              -0.00005137175594
                   +0 :               0.00001644077409
                   +1 :               0.00000323915107
                3d
                   -2 :              -0.00000938737387
                   -1 :              -0.00000277521251
                   +0 :              -0.00000733532514
                   +1 :              -0.00003180392341
                   +2 :              -0.00002242403588
             11 vec=     7.780163    -10.723313     -9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00004172732333
                2p
                   -1 :              -0.00005199107456
                   +0 :               0.00000381487143
                   +1 :               0.00002511586824
                3s
                   +0 :               0.00002111831242
                4s
                   +0 :               0.00009225339565
                3p
                   -1 :               0.00027290617410
                   +0 :              -0.00011010099596
                   +1 :              -0.00001351639189
                4p
                   -1 :              -0.00010822730817
                   +0 :               0.00002578484213
                   +1 :               0.00002464566505
                3d
                   -2 :              -0.00001068719296
                   -1 :               0.00000657245656
                   +0 :               0.00002782880293
                   +1 :              -0.00005728306679
                   +2 :               0.00000071989572
             12 vec=    -7.780163     -1.739555     14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00014719704182
                2p
                   -1 :               0.00002519881542
                   +0 :              -0.00002795947029
                   +1 :               0.00001282367513
                3s
                   +0 :               0.00090104519530
                4s
                   +0 :              -0.00018029981614
                3p
                   -1 :               0.00005026344313
                   +0 :               0.00024511816269
                   +1 :              -0.00032340234539
                4p
                   -1 :               0.00002430867398
                   +0 :              -0.00003549704603
                   +1 :               0.00004046419721
                3d
                   -2 :              -0.00010194337592
                   -1 :               0.00003412552250
                   +0 :              -0.00005581626547
                   +1 :              -0.00005269440921
                   +2 :               0.00008568593066
             13 vec=     7.780163     -1.739555     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00003086593143
                2p
                   -1 :               0.00000623282139
                   +0 :               0.00000855828246
                   +1 :              -0.00003208916202
                3s
                   +0 :              -0.00019183971957
                4s
                   +0 :               0.00005237229905
                3p
                   -1 :               0.00011452982542
                   +0 :              -0.00010926246287
                   +1 :               0.00029338978531
                4p
                   -1 :              -0.00003441188163
                   +0 :               0.00000203532964
                   +1 :              -0.00002629209686
                3d
                   -2 :               0.00005916852862
                   -1 :               0.00003829491538
                   +0 :              -0.00003511603728
                   +1 :               0.00003097427570
                   +2 :              -0.00004568535388
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al(  6)  npairs=  14
              1 vec=     0.000000      2.752324     -2.510804   |vec|=    3.725510
                2s
                   +0 :              -0.01953102573698
                2p
                   -1 :              -0.02589636153911
                   +0 :               0.01891072386203
                   +1 :               0.00237154785821
                3s
                   +0 :              -0.09122891906231
                4s
                   +0 :              -0.00522368839969
                3p
                   -1 :              -0.06028477304847
                   +0 :               0.03206832067070
                   +1 :              -0.00885213940091
                4p
                   -1 :              -0.01323983898461
                   +0 :               0.00966151614733
                   +1 :               0.00295770173268
                3d
                   -2 :               0.00036920345649
                   -1 :               0.03957791020319
                   +0 :               0.00968738391309
                   +1 :               0.00095199780129
                   +2 :               0.03986304235326
              2 vec=     0.000000     -6.231434     -2.510804   |vec|=    6.718252
                2s
                   +0 :               0.00231830174480
                2p
                   -1 :              -0.00149036403194
                   +0 :              -0.00045375116223
                   +1 :               0.00044714547770
                3s
                   +0 :              -0.01213330641257
                4s
                   +0 :               0.00470249471671
                3p
                   -1 :               0.00688487092599
                   +0 :               0.00149589686792
                   +1 :              -0.00036514543750
                4p
                   -1 :              -0.00235586264653
                   +0 :              -0.00136298281362
                   +1 :               0.00093325766145
                3d
                   -2 :              -0.00092009598785
                   -1 :              -0.00052133266871
                   +0 :              -0.00343066690182
                   +1 :              -0.00076808221260
                   +2 :               0.00065363855156
              3 vec=    -7.780163     -1.739555     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00095519002962
                2p
                   -1 :               0.00015999618642
                   +0 :               0.00048900382564
                   +1 :               0.00049835197494
                3s
                   +0 :               0.00682784011209
                4s
                   +0 :              -0.00298417456603
                3p
                   -1 :              -0.00160851418208
                   +0 :              -0.00469758153253
                   +1 :              -0.00535476298827
                4p
                   -1 :               0.00008814138146
                   +0 :               0.00135104842708
                   +1 :               0.00188189921246
                3d
                   -2 :               0.00059885247060
                   -1 :               0.00031586301324
                   +0 :               0.00011994209752
                   +1 :               0.00147162755137
                   +2 :               0.00082611846231
              4 vec=     7.780163     -1.739555     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00219287086744
                2p
                   -1 :               0.00039629161394
                   +0 :               0.00061732046563
                   +1 :              -0.00024889844168
                3s
                   +0 :               0.01144387731176
                4s
                   +0 :              -0.00291732903969
                3p
                   -1 :              -0.00180958290790
                   +0 :              -0.00577424690116
                   +1 :               0.00322555831890
                4p
                   -1 :               0.00010496151421
                   +0 :               0.00076395692363
                   +1 :              -0.00067765844301
                3d
                   -2 :              -0.00089953305524
                   -1 :               0.00096072995459
                   +0 :               0.00149401639396
                   +1 :              -0.00056967619019
                   +2 :              -0.00085379532044
              5 vec=    -7.780163      7.244203     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00001478602082
                2p
                   -1 :               0.00013147647974
                   +0 :               0.00008540082274
                   +1 :               0.00010796216159
                3s
                   +0 :              -0.00080671074509
                4s
                   +0 :               0.00020307370104
                3p
                   -1 :              -0.00064459773599
                   +0 :              -0.00032351806342
                   +1 :               0.00043902958479
                4p
                   -1 :               0.00012257630911
                   +0 :               0.00011876177733
                   +1 :              -0.00016659907747
                3d
                   -2 :              -0.00017702619094
                   -1 :               0.00015622251294
                   +0 :               0.00022929579019
                   +1 :               0.00016263529728
                   +2 :              -0.00017546765558
              6 vec=     7.780163      7.244203     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00057356710014
                2p
                   -1 :              -0.00027435581261
                   +0 :              -0.00021240137516
                   +1 :              -0.00021848050081
                3s
                   +0 :               0.00068058488269
                4s
                   +0 :              -0.00025548553653
                3p
                   -1 :               0.00093182084743
                   +0 :               0.00075186726534
                   +1 :               0.00007790775762
                4p
                   -1 :              -0.00015997531375
                   +0 :              -0.00022857246944
                   +1 :              -0.00016256738961
                3d
                   -2 :               0.00015459287718
                   -1 :               0.00026288888185
                   +0 :               0.00022733340146
                   +1 :              -0.00010363966857
                   +2 :              -0.00033311649341
              7 vec=     0.000000     11.736082     -2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00026961051771
                2p
                   -1 :              -0.00002282101318
                   +0 :              -0.00013575763540
                   +1 :               0.00012009178325
                3s
                   +0 :              -0.00118923672621
                4s
                   +0 :              -0.00009025319538
                3p
                   -1 :               0.00021751909766
                   +0 :               0.00096292921331
                   +1 :              -0.00059385043017
                4p
                   -1 :              -0.00039489964989
                   +0 :              -0.00023856890150
                   +1 :               0.00008885058907
                3d
                   -2 :              -0.00035629889228
                   -1 :               0.00024268791580
                   +0 :              -0.00016616525969
                   +1 :               0.00001404298049
                   +2 :               0.00000849257804
              8 vec=    -7.780163    -10.723313     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00008696965787
                2p
                   -1 :               0.00001628395213
                   +0 :               0.00005438330835
                   +1 :              -0.00007019178855
                3s
                   +0 :               0.00059831451696
                4s
                   +0 :              -0.00024271659854
                3p
                   -1 :              -0.00016375199698
                   +0 :              -0.00035712950836
                   +1 :               0.00019834111112
                4p
                   -1 :               0.00007086355306
                   +0 :               0.00007295348898
                   +1 :               0.00001192197290
                3d
                   -2 :              -0.00008703511686
                   -1 :               0.00008310078714
                   +0 :               0.00006387549235
                   +1 :               0.00011846266264
                   +2 :               0.00009092732202
              9 vec=     7.780163    -10.723313     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00052769142220
                2p
                   -1 :               0.00008191256341
                   +0 :               0.00007239305863
                   +1 :              -0.00013783304633
                3s
                   +0 :               0.00223639212163
                4s
                   +0 :              -0.00030530667760
                3p
                   -1 :              -0.00014363321358
                   +0 :              -0.00071638512107
                   +1 :               0.00077271289063
                4p
                   -1 :              -0.00012495161540
                   +0 :               0.00009654681083
                   +1 :              -0.00004451745054
                3d
                   -2 :               0.00004057627988
                   -1 :              -0.00004202947454
                   +0 :               0.00025500030965
                   +1 :              -0.00035003346217
                   +2 :               0.00011416596578
             10 vec=     0.000000    -15.215192     -2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00000419130296
                2p
                   -1 :              -0.00002396603613
                   +0 :               0.00001518704950
                   +1 :              -0.00001453033113
                3s
                   +0 :               0.00018141905155
                4s
                   +0 :              -0.00000058563840
                3p
                   -1 :               0.00002592569777
                   +0 :              -0.00006588776000
                   +1 :               0.00012180214996
                4p
                   -1 :              -0.00002859350278
                   +0 :               0.00000452016874
                   +1 :               0.00000584096527
                3d
                   -2 :              -0.00000232391185
                   -1 :               0.00004528388318
                   +0 :               0.00002284720907
                   +1 :              -0.00003041175503
                   +2 :               0.00000475728570
             11 vec=   -15.560325      2.752324     -2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00002365900445
                2p
                   -1 :              -0.00004023959389
                   +0 :              -0.00001383189822
                   +1 :               0.00002249926716
                3s
                   +0 :              -0.00027734931349
                4s
                   +0 :               0.00003802936777
                3p
                   -1 :               0.00008464512774
                   +0 :              -0.00011732603004
                   +1 :               0.00006868085609
                4p
                   -1 :              -0.00004695346561
                   +0 :              -0.00000363353896
                   +1 :              -0.00001688191255
                3d
                   -2 :               0.00001348323105
                   -1 :              -0.00002636342616
                   +0 :              -0.00004474359283
                   +1 :               0.00005255208877
                   +2 :               0.00001974604725
             12 vec=    15.560325      2.752324     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00003370066616
                2p
                   -1 :               0.00001471921496
                   +0 :               0.00002283623811
                   +1 :              -0.00001798784253
                3s
                   +0 :              -0.00032047851448
                4s
                   +0 :               0.00003626503967
                3p
                   -1 :              -0.00015586614566
                   +0 :              -0.00017135067210
                   +1 :              -0.00001295289610
                4p
                   -1 :               0.00003595608401
                   +0 :               0.00002718938301
                   +1 :              -0.00001693469081
                3d
                   -2 :              -0.00001014590823
                   -1 :              -0.00014617681236
                   +0 :              -0.00004609630353
                   +1 :              -0.00005175653252
                   +2 :               0.00008891623425
             13 vec=   -15.560325     -6.231434     -2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00001495419855
                2p
                   -1 :               0.00002067534291
                   +0 :              -0.00000933897118
                   +1 :               0.00000428295668
                3s
                   +0 :              -0.00008292483987
                4s
                   +0 :               0.00001372600552
                3p
                   -1 :              -0.00008721636870
                   +0 :               0.00002659642007
                   +1 :              -0.00001229847433
                4p
                   -1 :               0.00002967631947
                   +0 :              -0.00000956496913
                   +1 :              -0.00000351844925
                3d
                   -2 :               0.00001928851779
                   -1 :              -0.00000802225456
                   +0 :              -0.00000285694742
                   +1 :              -0.00002936882557
                   +2 :              -0.00002001754452
             14 vec=    15.560325     -6.231434     -2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00003157738041
                2p
                   -1 :              -0.00000463485523
                   +0 :              -0.00000445199285
                   +1 :              -0.00000941780813
                3s
                   +0 :               0.00010278053472
                4s
                   +0 :              -0.00003741938600
                3p
                   -1 :               0.00010551884498
                   +0 :               0.00000283217665
                   +1 :               0.00004877184504
                4p
                   -1 :              -0.00000284636217
                   +0 :               0.00001425757345
                   +1 :               0.00000279515763
                3d
                   -2 :               0.00003429828436
                   -1 :              -0.00001377755948
                   +0 :              -0.00000536033938
                   +1 :              -0.00000744838541
                   +2 :               0.00004623203929
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al(  7)  npairs=  13
              1 vec=     0.000000      2.752324      9.762967   |vec|=   10.143511
                2s
                   +0 :               0.00032833540662
                2p
                   -1 :               0.00031990365213
                   +0 :              -0.00026130433929
                   +1 :               0.00009331123899
                3s
                   +0 :               0.00098625017292
                4s
                   +0 :              -0.00026931601543
                3p
                   -1 :              -0.00113214018208
                   +0 :               0.00244080600633
                   +1 :              -0.00084956596532
                4p
                   -1 :               0.00004250925243
                   +0 :              -0.00078024029539
                   +1 :               0.00020061077278
                3d
                   -2 :               0.00013634394590
                   -1 :               0.00067565483197
                   +0 :               0.00028928000785
                   +1 :               0.00013442855166
                   +2 :               0.00007005298541
              2 vec=     0.000000     -6.231434      9.762967   |vec|=   11.582154
                2s
                   +0 :              -0.00061657024631
                2p
                   -1 :               0.00004793786034
                   +0 :              -0.00014374788115
                   +1 :              -0.00004370169394
                3s
                   +0 :               0.00091181045668
                4s
                   +0 :              -0.00101381641032
                3p
                   -1 :               0.00004933050838
                   +0 :               0.00089344108561
                   +1 :               0.00174569145117
                4p
                   -1 :               0.00012363600188
                   +0 :              -0.00036668448003
                   +1 :              -0.00017191467098
                3d
                   -2 :              -0.00010965714251
                   -1 :               0.00004305462335
                   +0 :               0.00034801592845
                   +1 :               0.00007025406508
                   +2 :               0.00006437929286
              3 vec=    -7.780163     -1.739555      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00001080397155
                2p
                   -1 :               0.00007935613704
                   +0 :               0.00004769757713
                   +1 :              -0.00021931202536
                3s
                   +0 :               0.00202897479383
                4s
                   +0 :               0.00000901951555
                3p
                   -1 :              -0.00106476555903
                   +0 :               0.00038177088017
                   +1 :              -0.00065626558133
                4p
                   -1 :               0.00020074485387
                   +0 :               0.00000148962173
                   +1 :              -0.00031153239929
                3d
                   -2 :               0.00029867457506
                   -1 :              -0.00001414802298
                   +0 :              -0.00025820841335
                   +1 :              -0.00015411494960
                   +2 :               0.00018283824985
              4 vec=     7.780163     -1.739555      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00063985481739
                2p
                   -1 :              -0.00000680676787
                   +0 :               0.00022191136364
                   +1 :               0.00034198040718
                3s
                   +0 :              -0.00025763041561
                4s
                   +0 :               0.00061752480346
                3p
                   -1 :              -0.00188342314234
                   +0 :              -0.00068793716778
                   +1 :               0.00035035315787
                4p
                   -1 :               0.00022398142036
                   +0 :               0.00017404760899
                   +1 :               0.00025878133377
                3d
                   -2 :              -0.00047180631792
                   -1 :              -0.00019821929609
                   +0 :              -0.00043095850515
                   +1 :              -0.00007489987851
                   +2 :               0.00003421697704
              5 vec=    -7.780163      7.244203      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00009588537359
                2p
                   -1 :              -0.00005066841176
                   +0 :              -0.00001333118692
                   +1 :               0.00011664657034
                3s
                   +0 :               0.00051640571580
                4s
                   +0 :              -0.00017489177084
                3p
                   -1 :               0.00036489961778
                   +0 :               0.00009371928674
                   +1 :              -0.00051493772478
                4p
                   -1 :              -0.00011924331111
                   +0 :              -0.00002211848110
                   +1 :               0.00016250644069
                3d
                   -2 :               0.00002176049755
                   -1 :               0.00000580907466
                   +0 :              -0.00003468859152
                   +1 :              -0.00007958981012
                   +2 :               0.00004261826316
              6 vec=     7.780163      7.244203      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00005233663979
                2p
                   -1 :               0.00013083060194
                   +0 :              -0.00001345654360
                   +1 :              -0.00003494796112
                3s
                   +0 :               0.00027779034192
                4s
                   +0 :               0.00009106636584
                3p
                   -1 :              -0.00069249767260
                   +0 :               0.00000106936993
                   +1 :               0.00029142527316
                4p
                   -1 :               0.00018852429774
                   +0 :              -0.00000859288015
                   +1 :               0.00005934353683
                3d
                   -2 :              -0.00005194067484
                   -1 :              -0.00011725523233
                   +0 :              -0.00007288227884
                   +1 :               0.00009061023417
                   +2 :               0.00011063022904
              7 vec=     0.000000      2.752324    -14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00001566464264
                2p
                   -1 :              -0.00005233435197
                   +0 :               0.00001534485107
                   +1 :              -0.00011803513958
                3s
                   +0 :              -0.00043702777015
                4s
                   +0 :               0.00010873710142
                3p
                   -1 :               0.00035601426987
                   +0 :               0.00022718492571
                   +1 :               0.00059227825066
                4p
                   -1 :              -0.00004619814892
                   +0 :              -0.00008278782930
                   +1 :              -0.00016246786030
                3d
                   -2 :              -0.00005472216129
                   -1 :              -0.00008684835468
                   +0 :              -0.00005658592649
                   +1 :              -0.00005738225441
                   +2 :               0.00000536199591
              8 vec=     0.000000     11.736082      9.762967   |vec|=   15.266013
                2s
                   +0 :               0.00016893831664
                2p
                   -1 :               0.00012484351918
                   +0 :               0.00017139829649
                   +1 :               0.00002858091860
                3s
                   +0 :              -0.00034551530044
                4s
                   +0 :               0.00017677294320
                3p
                   -1 :              -0.00054854569180
                   +0 :              -0.00072759076179
                   +1 :              -0.00028732306144
                4p
                   -1 :               0.00016618938451
                   +0 :               0.00020837233903
                   +1 :               0.00011348625681
                3d
                   -2 :              -0.00000743170107
                   -1 :              -0.00026584939319
                   +0 :              -0.00004625040558
                   +1 :              -0.00002102366639
                   +2 :               0.00007588277218
              9 vec=     0.000000     -6.231434    -14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00000013316256
                2p
                   -1 :               0.00000464751356
                   +0 :               0.00000300481704
                   +1 :              -0.00002637419838
                3s
                   +0 :              -0.00005828582537
                4s
                   +0 :              -0.00003564136446
                3p
                   -1 :              -0.00015611093829
                   +0 :              -0.00008881272390
                   +1 :               0.00005420088447
                4p
                   -1 :               0.00004726270301
                   +0 :               0.00005331984503
                   +1 :               0.00000148035190
                3d
                   -2 :               0.00002499557479
                   -1 :               0.00003601906519
                   +0 :              -0.00003362209570
                   +1 :              -0.00001385191120
                   +2 :               0.00000549060060
             10 vec=    -7.780163    -10.723313      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00007820635819
                2p
                   -1 :               0.00004782110542
                   +0 :              -0.00000521067335
                   +1 :               0.00003025910876
                3s
                   +0 :               0.00045281722969
                4s
                   +0 :              -0.00012876689936
                3p
                   -1 :              -0.00027575783854
                   +0 :               0.00005998861605
                   +1 :              -0.00015164729472
                4p
                   -1 :               0.00009669124799
                   +0 :              -0.00001749873955
                   +1 :               0.00002713644440
                3d
                   -2 :               0.00000315640196
                   -1 :               0.00000924467215
                   +0 :              -0.00000918513322
                   +1 :               0.00000821623267
                   +2 :               0.00002506989711
             11 vec=     7.780163    -10.723313      9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00005881689845
                2p
                   -1 :               0.00005725812667
                   +0 :              -0.00000412780550
                   +1 :              -0.00004119665984
                3s
                   +0 :               0.00017767409260
                4s
                   +0 :              -0.00006810027890
                3p
                   -1 :              -0.00023006220380
                   +0 :               0.00001117655335
                   +1 :               0.00020338263980
                4p
                   -1 :               0.00006816362359
                   +0 :               0.00001745657357
                   +1 :              -0.00004821277968
                3d
                   -2 :              -0.00007725727757
                   -1 :              -0.00002241568855
                   +0 :              -0.00000242085785
                   +1 :               0.00008460806061
                   +2 :               0.00002612592818
             12 vec=    -7.780163     -1.739555    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00006141973520
                2p
                   -1 :              -0.00001963978903
                   +0 :               0.00000076631853
                   +1 :              -0.00000021107730
                3s
                   +0 :              -0.00054607852608
                4s
                   +0 :               0.00010090226760
                3p
                   -1 :               0.00004917417960
                   +0 :               0.00003576761787
                   +1 :               0.00011102835711
                4p
                   -1 :               0.00000301894415
                   +0 :              -0.00002293790889
                   +1 :               0.00000102237156
                3d
                   -2 :               0.00009325139092
                   -1 :               0.00003312962166
                   +0 :               0.00009647305627
                   +1 :               0.00002613915561
                   +2 :               0.00007272390579
             13 vec=     7.780163     -1.739555    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00007524215490
                2p
                   -1 :              -0.00004154117147
                   +0 :              -0.00001306003419
                   +1 :              -0.00000962924938
                3s
                   +0 :              -0.00041751158817
                4s
                   +0 :               0.00010950149666
                3p
                   -1 :               0.00005913444174
                   +0 :               0.00008166268306
                   +1 :              -0.00016444354371
                4p
                   -1 :              -0.00003871810914
                   +0 :              -0.00001905641665
                   +1 :               0.00001872732993
                3d
                   -2 :              -0.00007825074623
                   -1 :               0.00001658853510
                   +0 :               0.00006042748141
                   +1 :               0.00002566970411
                   +2 :              -0.00006974214342
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al(  8)  npairs=  14
              1 vec=     0.000000      2.752324      2.510641   |vec|=    3.725400
                2s
                   +0 :               0.02096543895176
                2p
                   -1 :               0.02666565462517
                   +0 :               0.01915073627077
                   +1 :               0.00218247162543
                3s
                   +0 :               0.08677639275916
                4s
                   +0 :               0.00584044240935
                3p
                   -1 :               0.05289528340448
                   +0 :               0.02889075195456
                   +1 :              -0.00656488055925
                4p
                   -1 :               0.01371127327467
                   +0 :               0.00982448112619
                   +1 :               0.00260012260689
                3d
                   -2 :               0.00234865725548
                   -1 :               0.03950995747028
                   +0 :              -0.00781454288961
                   +1 :               0.00213677311161
                   +2 :              -0.03670018852190
              2 vec=     0.000000     -6.231434      2.510641   |vec|=    6.718191
                2s
                   +0 :              -0.00184734952551
                2p
                   -1 :               0.00139141049041
                   +0 :              -0.00043508910714
                   +1 :               0.00038650893134
                3s
                   +0 :               0.00908109319837
                4s
                   +0 :              -0.00513632042839
                3p
                   -1 :              -0.00676954185631
                   +0 :              -0.00003459023227
                   +1 :              -0.00266879467575
                4p
                   -1 :               0.00278039959328
                   +0 :              -0.00133479988090
                   +1 :               0.00075413732923
                3d
                   -2 :              -0.00071245604664
                   -1 :              -0.00054430576015
                   +0 :               0.00136603334806
                   +1 :              -0.00073421001817
                   +2 :              -0.00078118861583
              3 vec=    -7.780163     -1.739555      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00123698208081
                2p
                   -1 :              -0.00030603058821
                   +0 :               0.00028337703136
                   +1 :              -0.00013086392546
                3s
                   +0 :              -0.00504673853019
                4s
                   +0 :               0.00174386597321
                3p
                   -1 :               0.00186343516208
                   +0 :              -0.00287640108625
                   +1 :               0.00212460519097
                4p
                   -1 :              -0.00018211200574
                   +0 :               0.00058780326775
                   +1 :              -0.00032073572076
                3d
                   -2 :              -0.00089802224899
                   -1 :               0.00036523752263
                   +0 :              -0.00054414009417
                   +1 :               0.00031381664759
                   +2 :               0.00001470844950
              4 vec=     7.780163     -1.739555      2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00044039660003
                2p
                   -1 :              -0.00011252122775
                   +0 :               0.00022855541137
                   +1 :               0.00086020149626
                3s
                   +0 :              -0.00306698843715
                4s
                   +0 :               0.00233865444983
                3p
                   -1 :               0.00046776747632
                   +0 :              -0.00335150241147
                   +1 :              -0.00902808404493
                4p
                   -1 :               0.00012958156610
                   +0 :               0.00102073398950
                   +1 :               0.00181499800024
                3d
                   -2 :              -0.00081665048524
                   -1 :              -0.00203800809430
                   +0 :               0.00084631854215
                   +1 :              -0.00290340070714
                   +2 :              -0.00354797583621
              5 vec=    -7.780163      7.244203      2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00018268995929
                2p
                   -1 :               0.00017513982385
                   +0 :              -0.00031963055734
                   +1 :              -0.00022590921150
                3s
                   +0 :               0.00059079063848
                4s
                   +0 :               0.00022685667535
                3p
                   -1 :              -0.00073796494285
                   +0 :               0.00112580547916
                   +1 :               0.00005034107929
                4p
                   -1 :               0.00034007094759
                   +0 :              -0.00026281679044
                   +1 :              -0.00031735034155
                3d
                   -2 :              -0.00000116248358
                   -1 :               0.00038670989485
                   +0 :               0.00010850804163
                   +1 :               0.00001521999371
                   +2 :               0.00033041585842
              6 vec=     7.780163      7.244203      2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00011542459070
                2p
                   -1 :              -0.00004208505678
                   +0 :              -0.00000534596546
                   +1 :              -0.00005034672311
                3s
                   +0 :               0.00121913109244
                4s
                   +0 :              -0.00012482777987
                3p
                   -1 :               0.00016696153870
                   +0 :              -0.00005946111801
                   +1 :               0.00101143882656
                4p
                   -1 :              -0.00006078571766
                   +0 :              -0.00004333894218
                   +1 :              -0.00009668115561
                3d
                   -2 :               0.00004084209674
                   -1 :               0.00012859664572
                   +0 :              -0.00000035836117
                   +1 :              -0.00016419072346
                   +2 :               0.00032732888421
              7 vec=     0.000000     11.736082      2.510641   |vec|=   12.001622
                2s
                   +0 :              -0.00020948279165
                2p
                   -1 :              -0.00007218570105
                   +0 :              -0.00007632546721
                   +1 :               0.00022809935006
                3s
                   +0 :               0.00059492307638
                4s
                   +0 :              -0.00012558275994
                3p
                   -1 :               0.00043397452471
                   +0 :               0.00042802087921
                   +1 :              -0.00135014495494
                4p
                   -1 :               0.00009572203086
                   +0 :              -0.00023268513149
                   +1 :               0.00037950802983
                3d
                   -2 :              -0.00055069877644
                   -1 :               0.00013464313891
                   +0 :              -0.00013149251115
                   +1 :              -0.00029711242665
                   +2 :              -0.00010953860545
              8 vec=    -7.780163    -10.723313      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00001376820297
                2p
                   -1 :              -0.00001820806205
                   +0 :              -0.00003815747827
                   +1 :              -0.00001215587682
                3s
                   +0 :               0.00009711000049
                4s
                   +0 :               0.00009214258860
                3p
                   -1 :               0.00004118693394
                   +0 :              -0.00002970444772
                   +1 :               0.00001121308455
                4p
                   -1 :              -0.00012604217747
                   +0 :               0.00006579408187
                   +1 :              -0.00005593240389
                3d
                   -2 :               0.00010229717696
                   -1 :              -0.00008573336073
                   +0 :               0.00001098731004
                   +1 :              -0.00000292523733
                   +2 :              -0.00000324462319
              9 vec=     7.780163    -10.723313      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00026317434730
                2p
                   -1 :              -0.00015388370932
                   +0 :               0.00003679445951
                   +1 :               0.00005056809867
                3s
                   +0 :              -0.00019382250443
                4s
                   +0 :               0.00011641294455
                3p
                   -1 :               0.00064193307699
                   +0 :               0.00010561200725
                   +1 :               0.00002338632715
                4p
                   -1 :              -0.00009585880337
                   +0 :               0.00003766012151
                   +1 :               0.00006486404184
                3d
                   -2 :              -0.00002796588683
                   -1 :               0.00014541546155
                   +0 :               0.00023803733660
                   +1 :               0.00004589883593
                   +2 :              -0.00008783729935
             10 vec=     0.000000    -15.215192      2.510641   |vec|=   15.420940
                2s
                   +0 :              -0.00010838184977
                2p
                   -1 :               0.00006134789851
                   +0 :               0.00001793108275
                   +1 :               0.00000592093408
                3s
                   +0 :               0.00051676311721
                4s
                   +0 :              -0.00008567559599
                3p
                   -1 :              -0.00029977766144
                   +0 :              -0.00008138476826
                   +1 :               0.00003672341155
                4p
                   -1 :               0.00004079278536
                   +0 :               0.00001409349260
                   +1 :              -0.00001549919693
                3d
                   -2 :              -0.00000838252777
                   -1 :               0.00004063224135
                   +0 :               0.00002174263083
                   +1 :              -0.00000920725534
                   +2 :              -0.00006287306481
             11 vec=   -15.560325      2.752324      2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00004666595518
                2p
                   -1 :              -0.00003497358791
                   +0 :               0.00000351914337
                   +1 :               0.00002368896962
                3s
                   +0 :               0.00027728543757
                4s
                   +0 :              -0.00009888111915
                3p
                   -1 :               0.00029414971452
                   +0 :              -0.00014651731891
                   +1 :              -0.00019861133264
                4p
                   -1 :              -0.00004209970461
                   +0 :              -0.00000032628687
                   +1 :               0.00005819225048
                3d
                   -2 :              -0.00004792269147
                   -1 :              -0.00003034691231
                   +0 :               0.00001079689318
                   +1 :               0.00002971895376
                   +2 :              -0.00000484720535
             12 vec=    15.560325      2.752324      2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00002894505775
                2p
                   -1 :               0.00000712625182
                   +0 :               0.00000106226148
                   +1 :               0.00001182592129
                3s
                   +0 :               0.00003472066862
                4s
                   +0 :              -0.00001690428614
                3p
                   -1 :               0.00008384100333
                   +0 :              -0.00012057285760
                   +1 :               0.00000369202722
                4p
                   -1 :              -0.00001642265944
                   +0 :               0.00001592959153
                   +1 :              -0.00000486621776
                3d
                   -2 :               0.00002760715356
                   -1 :               0.00004236039608
                   +0 :              -0.00000181193644
                   +1 :              -0.00001057647375
                   +2 :               0.00000277894008
             13 vec=   -15.560325     -6.231434      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00002233388445
                2p
                   -1 :               0.00000677786844
                   +0 :               0.00001026189460
                   +1 :              -0.00002005335006
                3s
                   +0 :              -0.00003255028266
                4s
                   +0 :              -0.00000406411812
                3p
                   -1 :              -0.00005490664662
                   +0 :              -0.00012509174124
                   +1 :               0.00009538582038
                4p
                   -1 :               0.00002936654584
                   +0 :               0.00002780355317
                   +1 :              -0.00001494512699
                3d
                   -2 :              -0.00000294632732
                   -1 :              -0.00001233093362
                   +0 :               0.00000419779592
                   +1 :               0.00002247494497
                   +2 :              -0.00002917416160
             14 vec=    15.560325     -6.231434      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00000936801989
                2p
                   -1 :               0.00000142655354
                   +0 :              -0.00000490909764
                   +1 :               0.00002306959447
                3s
                   +0 :               0.00005923551425
                4s
                   +0 :               0.00000002805370
                3p
                   -1 :               0.00006930010437
                   +0 :              -0.00001500317451
                   +1 :              -0.00008215052832
                4p
                   -1 :              -0.00000457281553
                   +0 :              -0.00000812904045
                   +1 :               0.00001461898587
                3d
                   -2 :              -0.00001428370780
                   -1 :               0.00000973308790
                   +0 :               0.00003180071712
                   +1 :               0.00000901273905
                   +2 :               0.00000489750136
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al(  9)  npairs=  14
              1 vec=    -2.593388     -1.739555     -1.580453   |vec|=    3.499934
                2s
                   +0 :              -0.02291318675065
                2p
                   -1 :               0.01174146718630
                   +0 :               0.00420654117797
                   +1 :               0.01890306199842
                3s
                   +0 :              -0.03459148111113
                4s
                   +0 :              -0.00980269996572
                3p
                   -1 :               0.03861205007783
                   +0 :              -0.01654715136765
                   +1 :               0.04711708558612
                4p
                   -1 :               0.00393831993688
                   +0 :               0.00303024702448
                   +1 :               0.00886304626967
                3d
                   -2 :              -0.03577581742150
                   -1 :               0.00017234724963
                   +0 :               0.03188579191301
                   +1 :              -0.00017931854267
                   +2 :              -0.01306450939502
              2 vec=     5.186775      2.752324     -1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00184096142258
                2p
                   -1 :               0.00027321076745
                   +0 :               0.00024674427626
                   +1 :               0.00141043900589
                3s
                   +0 :              -0.00787809969037
                4s
                   +0 :               0.00310486177212
                3p
                   -1 :              -0.00600660178303
                   +0 :               0.00313193917749
                   +1 :              -0.00333031127407
                4p
                   -1 :               0.00063414614099
                   +0 :               0.00026120368004
                   +1 :               0.00148224594328
                3d
                   -2 :              -0.00251286095473
                   -1 :               0.00109902215843
                   +0 :              -0.00069942529112
                   +1 :               0.00124397966168
                   +2 :               0.00074260576802
              3 vec=    -2.593388      7.244203     -1.580453   |vec|=    7.855060
                2s
                   +0 :              -0.00035550356246
                2p
                   -1 :              -0.00039957916385
                   +0 :              -0.00022012475105
                   +1 :              -0.00062117894177
                3s
                   +0 :               0.00550772860727
                4s
                   +0 :              -0.00095738596307
                3p
                   -1 :               0.00780759282574
                   +0 :               0.00259358016001
                   +1 :               0.00176454249430
                4p
                   -1 :              -0.00082746575256
                   +0 :              -0.00109243109077
                   +1 :              -0.00062648995566
                3d
                   -2 :               0.00086797307238
                   -1 :              -0.00036259739684
                   +0 :              -0.00163969173387
                   +1 :              -0.00022558732244
                   +2 :              -0.00234405495307
              4 vec=     5.186775     -6.231434     -1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00075019267939
                2p
                   -1 :              -0.00131696093801
                   +0 :              -0.00004820549548
                   +1 :               0.00019329157580
                3s
                   +0 :               0.00030027831717
                4s
                   +0 :               0.00188388190923
                3p
                   -1 :               0.00864366857595
                   +0 :              -0.00049288807067
                   +1 :               0.00200732233189
                4p
                   -1 :              -0.00235471241928
                   +0 :              -0.00041822230784
                   +1 :              -0.00026315154038
                3d
                   -2 :               0.00110576855011
                   -1 :              -0.00165385610804
                   +0 :               0.00014935253904
                   +1 :              -0.00089689729568
                   +2 :               0.00199818967087
              5 vec=   -10.373550      2.752324     -1.580453   |vec|=   10.848210
                2s
                   +0 :               0.00012046057427
                2p
                   -1 :              -0.00016927190246
                   +0 :               0.00008162212768
                   +1 :              -0.00002185851577
                3s
                   +0 :              -0.00176056034858
                4s
                   +0 :               0.00031482611082
                3p
                   -1 :               0.00022167233999
                   +0 :              -0.00142835364764
                   +1 :               0.00088140059979
                4p
                   -1 :              -0.00001454459958
                   +0 :               0.00018644282450
                   +1 :              -0.00027115551415
                3d
                   -2 :              -0.00007107125912
                   -1 :              -0.00020945622082
                   +0 :              -0.00010493562164
                   +1 :               0.00050097149862
                   +2 :               0.00017743973888
              6 vec=    -2.593388    -10.723313     -1.580453   |vec|=   11.145086
                2s
                   +0 :              -0.00009275115851
                2p
                   -1 :               0.00002887885537
                   +0 :               0.00005652075957
                   +1 :               0.00019658251903
                3s
                   +0 :              -0.00010221571638
                4s
                   +0 :               0.00030202816010
                3p
                   -1 :               0.00022553014340
                   +0 :              -0.00109594316897
                   +1 :              -0.00095846473858
                4p
                   -1 :              -0.00021537644577
                   +0 :               0.00014767857869
                   +1 :               0.00012824322247
                3d
                   -2 :               0.00026740894185
                   -1 :               0.00038488894538
                   +0 :              -0.00014409758148
                   +1 :              -0.00000823631606
                   +2 :              -0.00011133036294
              7 vec=   -10.373550     -6.231434     -1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00001141842350
                2p
                   -1 :               0.00000619205760
                   +0 :              -0.00020190100237
                   +1 :               0.00004954619580
                3s
                   +0 :              -0.00017997372866
                4s
                   +0 :              -0.00010391623603
                3p
                   -1 :               0.00003669917250
                   +0 :               0.00112283983397
                   +1 :              -0.00010467860758
                4p
                   -1 :               0.00008031949940
                   +0 :              -0.00029386541053
                   +1 :               0.00006969663756
                3d
                   -2 :               0.00004384227890
                   -1 :              -0.00006473822807
                   +0 :              -0.00015176185976
                   +1 :              -0.00007308692166
                   +2 :               0.00009720742492
              8 vec=     5.186775     11.736082     -1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00017369735885
                2p
                   -1 :              -0.00007108201355
                   +0 :               0.00019334149322
                   +1 :               0.00004598002190
                3s
                   +0 :              -0.00074109164945
                4s
                   +0 :               0.00012619029984
                3p
                   -1 :               0.00037209084153
                   +0 :              -0.00090700183603
                   +1 :               0.00004750616164
                4p
                   -1 :              -0.00013930517977
                   +0 :               0.00030431484072
                   +1 :              -0.00002053541351
                3d
                   -2 :               0.00017279735436
                   -1 :              -0.00011045949923
                   +0 :              -0.00008381388937
                   +1 :              -0.00024836437073
                   +2 :              -0.00014308919466
              9 vec=    12.966938     -1.739555     -1.580453   |vec|=   13.178215
                2s
                   +0 :              -0.00043576262695
                2p
                   -1 :               0.00008464573270
                   +0 :               0.00006678673164
                   +1 :              -0.00018669580221
                3s
                   +0 :               0.00262027544412
                4s
                   +0 :              -0.00041187502735
                3p
                   -1 :              -0.00098764139242
                   +0 :              -0.00067629559178
                   +1 :               0.00118639983722
                4p
                   -1 :               0.00007333976839
                   +0 :               0.00007366023048
                   +1 :              -0.00014540522372
                3d
                   -2 :              -0.00028149840850
                   -1 :               0.00024383361368
                   +0 :               0.00004855081132
                   +1 :              -0.00025658395858
                   +2 :              -0.00005646720658
             10 vec=    12.966938      7.244203     -1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00000824863563
                2p
                   -1 :              -0.00000234919348
                   +0 :               0.00001137804484
                   +1 :              -0.00000787046623
                3s
                   +0 :               0.00019801136387
                4s
                   +0 :              -0.00003843617967
                3p
                   -1 :               0.00005139313424
                   +0 :               0.00002749053433
                   +1 :               0.00014548854441
                4p
                   -1 :               0.00001545777863
                   +0 :              -0.00001884456414
                   +1 :              -0.00004936771592
                3d
                   -2 :               0.00001624486321
                   -1 :              -0.00001558855783
                   +0 :               0.00000094141976
                   +1 :               0.00004882294171
                   +2 :               0.00001786226745
             11 vec=   -10.373550     11.736082     -1.580453   |vec|=   15.743062
                2s
                   +0 :               0.00010867503822
                2p
                   -1 :               0.00006255521404
                   +0 :              -0.00001667567565
                   +1 :               0.00003623339057
                3s
                   +0 :              -0.00049781000833
                4s
                   +0 :               0.00012734731972
                3p
                   -1 :              -0.00033468713165
                   +0 :               0.00002985373468
                   +1 :              -0.00015949550144
                4p
                   -1 :               0.00008485281349
                   +0 :               0.00001388973557
                   +1 :               0.00005125824519
                3d
                   -2 :              -0.00002087177129
                   -1 :               0.00001598102367
                   +0 :               0.00001492409837
                   +1 :               0.00001689870124
                   +2 :               0.00004894328390
             12 vec=     5.186775    -15.215192     -1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00001895450122
                2p
                   -1 :               0.00002369590836
                   +0 :               0.00002145992915
                   +1 :              -0.00000670081105
                3s
                   +0 :              -0.00004190704203
                4s
                   +0 :               0.00002627124864
                3p
                   -1 :              -0.00008678797965
                   +0 :              -0.00022782064710
                   +1 :               0.00001875430177
                4p
                   -1 :              -0.00000111605969
                   +0 :               0.00005854018517
                   +1 :              -0.00003800510439
                3d
                   -2 :              -0.00007719943700
                   -1 :               0.00008486881199
                   +0 :              -0.00003355524739
                   +1 :               0.00001183962565
                   +2 :              -0.00005816966850
             13 vec=    -2.593388     16.227961     -1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00005473375775
                2p
                   -1 :              -0.00005519772803
                   +0 :               0.00000271174839
                   +1 :              -0.00001109905616
                3s
                   +0 :               0.00012987404278
                4s
                   +0 :              -0.00011348454824
                3p
                   -1 :               0.00030081034803
                   +0 :               0.00005115168550
                   +1 :               0.00000040186143
                4p
                   -1 :              -0.00011040566022
                   +0 :              -0.00001125856083
                   +1 :              -0.00000669537576
                3d
                   -2 :              -0.00002044916927
                   -1 :               0.00002034315568
                   +0 :              -0.00001684804528
                   +1 :               0.00001327288240
                   +2 :              -0.00004498364346
             14 vec=    12.966938    -10.723313     -1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00004791269596
                2p
                   -1 :               0.00000906789948
                   +0 :               0.00002798582430
                   +1 :              -0.00004479360778
                3s
                   +0 :               0.00020074961628
                4s
                   +0 :              -0.00001420140975
                3p
                   -1 :              -0.00010692500817
                   +0 :              -0.00016128586033
                   +1 :               0.00015395109072
                4p
                   -1 :              -0.00000851058693
                   +0 :               0.00001454581392
                   +1 :              -0.00002695065494
                3d
                   -2 :              -0.00006265607739
                   -1 :               0.00003406506610
                   +0 :              -0.00001418673370
                   +1 :              -0.00003074723036
                   +2 :              -0.00000307072378
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al( 10)  npairs=  14
              1 vec=    -2.593388     -1.739555      5.671873   |vec|=    6.474709
                2s
                   +0 :              -0.00491373758081
                2p
                   -1 :               0.00138070665445
                   +0 :              -0.00265934227240
                   +1 :               0.00149941722660
                3s
                   +0 :               0.01712557334351
                4s
                   +0 :              -0.00748569203094
                3p
                   -1 :              -0.00202887261145
                   +0 :               0.01336088984972
                   +1 :              -0.00688155911792
                4p
                   -1 :               0.00205323293634
                   +0 :              -0.00551424209743
                   +1 :               0.00296829132143
                3d
                   -2 :              -0.00197243053113
                   -1 :               0.00049034022701
                   +0 :               0.00228624500192
                   +1 :              -0.00126743039466
                   +2 :              -0.00053735682835
              2 vec=     5.186775      2.752324      5.671873   |vec|=    8.163827
                2s
                   +0 :               0.00152267125346
                2p
                   -1 :               0.00039774948540
                   +0 :               0.00045403090871
                   +1 :               0.00101267382442
                3s
                   +0 :               0.00694082948116
                4s
                   +0 :               0.00148773178232
                3p
                   -1 :               0.00471949763040
                   +0 :              -0.00041016038548
                   +1 :               0.00338623095261
                4p
                   -1 :              -0.00016971270127
                   +0 :               0.00030952062779
                   +1 :               0.00158321057428
                3d
                   -2 :               0.00194652917978
                   -1 :               0.00007022605256
                   +0 :              -0.00189680735133
                   +1 :               0.00011769216936
                   +2 :               0.00100813914875
              3 vec=    -2.593388      7.244203      5.671873   |vec|=    9.558990
                2s
                   +0 :               0.00065418337959
                2p
                   -1 :              -0.00066345967720
                   +0 :               0.00012345682956
                   +1 :              -0.00064182422905
                3s
                   +0 :              -0.00125509114301
                4s
                   +0 :               0.00040519492383
                3p
                   -1 :               0.00251894206635
                   +0 :              -0.00070042045890
                   +1 :               0.00237859270486
                4p
                   -1 :              -0.00060127526916
                   +0 :               0.00028937804696
                   +1 :              -0.00064569481282
                3d
                   -2 :              -0.00066520095403
                   -1 :               0.00072977490824
                   +0 :               0.00013909928031
                   +1 :              -0.00004967084785
                   +2 :              -0.00066523996309
              4 vec=     5.186775     -6.231434      5.671873   |vec|=    9.894622
                2s
                   +0 :              -0.00061142134585
                2p
                   -1 :               0.00017812748322
                   +0 :              -0.00042284726756
                   +1 :               0.00052781534017
                3s
                   +0 :              -0.00027559773000
                4s
                   +0 :              -0.00010373385834
                3p
                   -1 :               0.00171275472514
                   +0 :               0.00409197700926
                   +1 :              -0.00373497388533
                4p
                   -1 :              -0.00036916211326
                   +0 :              -0.00016644489629
                   +1 :               0.00130254136675
                3d
                   -2 :               0.00065975593454
                   -1 :              -0.00192948149386
                   +0 :               0.00111369835222
                   +1 :              -0.00047711610070
                   +2 :               0.00087017550715
              5 vec=   -10.373550      2.752324      5.671873   |vec|=   12.139027
                2s
                   +0 :               0.00013513939529
                2p
                   -1 :               0.00008373493610
                   +0 :               0.00012411022562
                   +1 :              -0.00002615694794
                3s
                   +0 :               0.00043274023854
                4s
                   +0 :               0.00017548221460
                3p
                   -1 :               0.00016077127807
                   +0 :               0.00016555957446
                   +1 :              -0.00010099243249
                4p
                   -1 :               0.00011261423216
                   +0 :               0.00012978350234
                   +1 :              -0.00008760981724
                3d
                   -2 :              -0.00017000948255
                   -1 :               0.00015394560466
                   +0 :               0.00016826723765
                   +1 :              -0.00008109869683
                   +2 :               0.00001997663008
              6 vec=    -2.593388    -10.723313      5.671873   |vec|=   12.405049
                2s
                   +0 :               0.00036275781564
                2p
                   -1 :              -0.00024424283154
                   +0 :               0.00010725477236
                   +1 :              -0.00006861527963
                3s
                   +0 :              -0.00063454097036
                4s
                   +0 :               0.00016721618265
                3p
                   -1 :               0.00094983932116
                   +0 :               0.00011645956515
                   +1 :               0.00070635672472
                4p
                   -1 :              -0.00015221792340
                   +0 :              -0.00002061388000
                   +1 :              -0.00004794920758
                3d
                   -2 :              -0.00018199161403
                   -1 :               0.00019392202969
                   +0 :               0.00014539134933
                   +1 :               0.00011825131078
                   +2 :               0.00027227158116
              7 vec=   -10.373550     -6.231434      5.671873   |vec|=   13.364560
                2s
                   +0 :              -0.00010001252860
                2p
                   -1 :               0.00000160657345
                   +0 :               0.00000128942999
                   +1 :               0.00004955648613
                3s
                   +0 :               0.00080499534615
                4s
                   +0 :              -0.00012149516687
                3p
                   -1 :              -0.00001901175444
                   +0 :              -0.00016194210476
                   +1 :              -0.00052001307799
                4p
                   -1 :              -0.00000206752698
                   +0 :               0.00009442272871
                   +1 :               0.00005729000373
                3d
                   -2 :               0.00005125846464
                   -1 :              -0.00000400404441
                   +0 :               0.00000979978323
                   +1 :               0.00002290766624
                   +2 :               0.00013645988424
              8 vec=     5.186775     11.736082      5.671873   |vec|=   14.028842
                2s
                   +0 :               0.00026513976191
                2p
                   -1 :               0.00005027109482
                   +0 :               0.00006634672695
                   +1 :               0.00023791980966
                3s
                   +0 :               0.00000581115586
                4s
                   +0 :               0.00003267350996
                3p
                   -1 :               0.00034561710497
                   +0 :              -0.00035095637839
                   +1 :              -0.00066222957125
                4p
                   -1 :              -0.00019465747094
                   +0 :               0.00007956516760
                   +1 :               0.00016420792107
                3d
                   -2 :              -0.00006330647838
                   -1 :              -0.00010852562284
                   +0 :              -0.00000864268308
                   +1 :              -0.00019808176252
                   +2 :              -0.00007355268213
              9 vec=    12.966938     -1.739555      5.671873   |vec|=   14.259652
                2s
                   +0 :               0.00005524961589
                2p
                   -1 :               0.00006362410237
                   +0 :               0.00000293697768
                   +1 :               0.00000105316130
                3s
                   +0 :               0.00009625136696
                4s
                   +0 :               0.00010539696863
                3p
                   -1 :              -0.00012923607069
                   +0 :               0.00020659606389
                   +1 :               0.00009169298739
                4p
                   -1 :               0.00001448248265
                   +0 :              -0.00002387841683
                   +1 :               0.00006864970686
                3d
                   -2 :               0.00011536282544
                   -1 :               0.00008747057265
                   +0 :               0.00006416438579
                   +1 :               0.00011905596946
                   +2 :               0.00006272930138
             10 vec=    12.966938      7.244203      5.671873   |vec|=   15.899374
                2s
                   +0 :               0.00004269671336
                2p
                   -1 :              -0.00000791152609
                   +0 :              -0.00001243245693
                   +1 :               0.00001659100478
                3s
                   +0 :              -0.00010392733801
                4s
                   +0 :               0.00002113745009
                3p
                   -1 :              -0.00002822307758
                   +0 :               0.00007279418427
                   +1 :              -0.00002495423435
                4p
                   -1 :              -0.00000936168814
                   +0 :              -0.00003069904057
                   +1 :               0.00000275142614
                3d
                   -2 :              -0.00000528219388
                   -1 :              -0.00000159806318
                   +0 :              -0.00001638448823
                   +1 :               0.00001023782966
                   +2 :               0.00001017252234
             11 vec=   -10.373550     11.736082      5.671873   |vec|=   16.658821
                2s
                   +0 :              -0.00006303603141
                2p
                   -1 :              -0.00000177468807
                   +0 :              -0.00001619804795
                   +1 :               0.00000579009196
                3s
                   +0 :               0.00026423082890
                4s
                   +0 :              -0.00003373269092
                3p
                   -1 :               0.00000418477413
                   +0 :               0.00013317102248
                   +1 :              -0.00011747849192
                4p
                   -1 :               0.00002194608717
                   +0 :              -0.00001447982495
                   +1 :               0.00001473185610
                3d
                   -2 :               0.00000268210970
                   -1 :               0.00000605501610
                   +0 :               0.00001530864020
                   +1 :              -0.00006828609250
                   +2 :               0.00001313726671
             12 vec=     5.186775    -15.215192      5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00005404794932
                2p
                   -1 :               0.00000553396598
                   +0 :               0.00000617973136
                   +1 :              -0.00000391146901
                3s
                   +0 :               0.00033724938008
                4s
                   +0 :              -0.00001465352517
                3p
                   -1 :              -0.00012047156172
                   +0 :               0.00004595355903
                   +1 :               0.00000557133662
                4p
                   -1 :              -0.00001132919997
                   +0 :               0.00001075236401
                   +1 :              -0.00000626227567
                3d
                   -2 :               0.00000756175274
                   -1 :              -0.00000015338159
                   +0 :              -0.00000312167959
                   +1 :              -0.00001172656740
                   +2 :              -0.00002741698544
             13 vec=    -2.593388     16.227961      5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00002801566505
                2p
                   -1 :              -0.00000131939841
                   +0 :               0.00001607412641
                   +1 :              -0.00003076685420
                3s
                   +0 :               0.00018079196881
                4s
                   +0 :              -0.00009131907840
                3p
                   -1 :               0.00007064011116
                   +0 :              -0.00005540666612
                   +1 :               0.00017769736948
                4p
                   -1 :              -0.00005425908082
                   +0 :              -0.00000314170275
                   +1 :              -0.00002997362149
                3d
                   -2 :               0.00004644800275
                   -1 :              -0.00002817120706
                   +0 :               0.00000936416116
                   +1 :              -0.00000223212982
                   +2 :               0.00000007769275
             14 vec=    12.966938    -10.723313      5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00005516987461
                2p
                   -1 :              -0.00000780664081
                   +0 :               0.00000822049545
                   +1 :               0.00002561208909
                3s
                   +0 :              -0.00030373789414
                4s
                   +0 :               0.00011435535972
                3p
                   -1 :               0.00002988436990
                   +0 :               0.00008499812328
                   +1 :              -0.00023807169798
                4p
                   -1 :              -0.00003549283995
                   +0 :               0.00000372389200
                   +1 :               0.00006141237967
                3d
                   -2 :               0.00000562543589
                   -1 :               0.00000026224272
                   +0 :              -0.00002599623971
                   +1 :               0.00002681636117
                   +2 :              -0.00000777396830
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al( 11)  npairs=  13
              1 vec=    -2.593388     -1.739555     -6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00164781518361
                2p
                   -1 :              -0.00093563928409
                   +0 :              -0.00123523230358
                   +1 :              -0.00080281617255
                3s
                   +0 :              -0.00758603307497
                4s
                   +0 :               0.00241249037502
                3p
                   -1 :               0.00442953299452
                   +0 :              -0.00048534341859
                   +1 :               0.00013692607115
                4p
                   -1 :              -0.00057411052535
                   +0 :              -0.00173142122978
                   +1 :              -0.00033022861920
                3d
                   -2 :               0.00242899820907
                   -1 :               0.00076659996931
                   +0 :               0.00298227446959
                   +1 :               0.00247597644030
                   +2 :               0.00262181223959
              2 vec=     5.186775      2.752324     -6.601898   |vec|=    8.835326
                2s
                   +0 :               0.00077389163498
                2p
                   -1 :               0.00011471274627
                   +0 :               0.00016571841077
                   +1 :              -0.00052141307325
                3s
                   +0 :              -0.01452650041992
                4s
                   +0 :              -0.00010294711345
                3p
                   -1 :              -0.00643535348479
                   +0 :               0.00768011199228
                   +1 :              -0.00637733059947
                4p
                   -1 :               0.00033541729174
                   +0 :               0.00055838579718
                   +1 :              -0.00098115802062
                3d
                   -2 :              -0.00255789443867
                   -1 :               0.00240255403510
                   +0 :              -0.00076892196598
                   +1 :               0.00332965422543
                   +2 :              -0.00086753417429
              3 vec=    -2.593388      7.244203     -6.601898   |vec|=   10.138500
                2s
                   +0 :              -0.00062341187927
                2p
                   -1 :               0.00057444069169
                   +0 :               0.00044947598549
                   +1 :               0.00062075213437
                3s
                   +0 :              -0.00094520688685
                4s
                   +0 :               0.00108508479086
                3p
                   -1 :              -0.00413067335206
                   +0 :              -0.00155022444362
                   +1 :              -0.00208094482658
                4p
                   -1 :               0.00149093009623
                   +0 :              -0.00013078264318
                   +1 :               0.00029655641463
                3d
                   -2 :               0.00048865610621
                   -1 :               0.00017615923109
                   +0 :              -0.00047738296019
                   +1 :               0.00033638300724
                   +2 :               0.00124021585079
              4 vec=     5.186775     -6.231434     -6.601898   |vec|=   10.455547
                2s
                   +0 :               0.00014052154368
                2p
                   -1 :              -0.00007748596696
                   +0 :               0.00001738613123
                   +1 :               0.00008648345547
                3s
                   +0 :              -0.00068358251563
                4s
                   +0 :               0.00059802098987
                3p
                   -1 :               0.00095555359229
                   +0 :              -0.00045535000121
                   +1 :              -0.00087632152468
                4p
                   -1 :              -0.00041983435501
                   +0 :              -0.00002835374755
                   +1 :               0.00045127905810
                3d
                   -2 :               0.00058030844172
                   -1 :               0.00012542860556
                   +0 :              -0.00037062248854
                   +1 :               0.00009937056888
                   +2 :               0.00011683525412
              5 vec=   -10.373550      2.752324     -6.601898   |vec|=   12.600432
                2s
                   +0 :               0.00032795141090
                2p
                   -1 :               0.00007369430276
                   +0 :              -0.00010633235485
                   +1 :              -0.00006576768955
                3s
                   +0 :              -0.00101186893405
                4s
                   +0 :               0.00004166538814
                3p
                   -1 :              -0.00046340381114
                   +0 :               0.00071170868893
                   +1 :              -0.00028257651902
                4p
                   -1 :               0.00006882718846
                   +0 :              -0.00002746259290
                   +1 :               0.00022885969896
                3d
                   -2 :               0.00002749599558
                   -1 :               0.00018230664687
                   +0 :              -0.00030980481817
                   +1 :              -0.00013495919950
                   +2 :               0.00019724047209
              6 vec=    -2.593388    -10.723313     -6.601898   |vec|=   12.856911
                2s
                   +0 :              -0.00042180867418
                2p
                   -1 :               0.00015625560779
                   +0 :               0.00011982836269
                   +1 :               0.00005681292555
                3s
                   +0 :               0.00157063478257
                4s
                   +0 :              -0.00044125275717
                3p
                   -1 :              -0.00094899544253
                   +0 :              -0.00049918913956
                   +1 :              -0.00050755553582
                4p
                   -1 :               0.00014394685595
                   +0 :               0.00014722781340
                   +1 :               0.00006792488768
                3d
                   -2 :               0.00009432596923
                   -1 :               0.00018015403425
                   +0 :              -0.00004039582417
                   +1 :               0.00001308911369
                   +2 :              -0.00010552941864
              7 vec=   -10.373550     -6.231434     -6.601898   |vec|=   13.785005
                2s
                   +0 :              -0.00013665652596
                2p
                   -1 :              -0.00001842059871
                   +0 :               0.00008053118784
                   +1 :              -0.00001069819634
                3s
                   +0 :               0.00016472068943
                4s
                   +0 :              -0.00015279203857
                3p
                   -1 :               0.00022802268190
                   +0 :              -0.00047839878555
                   +1 :               0.00020292525713
                4p
                   -1 :              -0.00007168337625
                   +0 :               0.00008869564647
                   +1 :               0.00001455492001
                3d
                   -2 :              -0.00008573699833
                   -1 :               0.00004443129565
                   +0 :              -0.00002249196842
                   +1 :               0.00006107043048
                   +2 :              -0.00003892589434
              8 vec=     5.186775     11.736082     -6.601898   |vec|=   14.429945
                2s
                   +0 :              -0.00010848159837
                2p
                   -1 :              -0.00001604797078
                   +0 :              -0.00002429906837
                   +1 :              -0.00004237842483
                3s
                   +0 :               0.00027238804354
                4s
                   +0 :              -0.00013922865304
                3p
                   -1 :              -0.00006583317978
                   +0 :               0.00003397033372
                   +1 :               0.00022262053187
                4p
                   -1 :               0.00002548628828
                   +0 :               0.00006430597378
                   +1 :              -0.00002872412250
                3d
                   -2 :               0.00001976435630
                   -1 :               0.00000743823633
                   +0 :               0.00008142859546
                   +1 :               0.00000140577700
                   +2 :               0.00010646250164
              9 vec=    12.966938     -1.739555     -6.601898   |vec|=   14.654439
                2s
                   +0 :               0.00006358933280
                2p
                   -1 :               0.00005397959811
                   +0 :              -0.00003756446544
                   +1 :               0.00002864912984
                3s
                   +0 :              -0.00015407091047
                4s
                   +0 :               0.00018402761570
                3p
                   -1 :              -0.00019876734426
                   +0 :               0.00021804102463
                   +1 :              -0.00009056959230
                4p
                   -1 :               0.00001771052202
                   +0 :              -0.00007999972531
                   +1 :               0.00005610304076
                3d
                   -2 :              -0.00001826628094
                   -1 :              -0.00000721969196
                   +0 :               0.00001529211396
                   +1 :               0.00007588730598
                   +2 :              -0.00004854865390
             10 vec=    12.966938      7.244203     -6.601898   |vec|=   16.254384
                2s
                   +0 :               0.00009949357797
                2p
                   -1 :               0.00000325923392
                   +0 :              -0.00005207913759
                   +1 :               0.00003471612353
                3s
                   +0 :              -0.00035990457279
                4s
                   +0 :               0.00008985946068
                3p
                   -1 :               0.00005342395091
                   +0 :               0.00028042168657
                   +1 :              -0.00017714383620
                4p
                   -1 :              -0.00004347041693
                   +0 :              -0.00006697681046
                   +1 :               0.00002559922877
                3d
                   -2 :              -0.00000193043559
                   -1 :               0.00002492418378
                   +0 :              -0.00002143374734
                   +1 :               0.00005005498515
                   +2 :              -0.00002223899618
             11 vec=   -10.373550     11.736082     -6.601898   |vec|=   16.997977
                2s
                   +0 :               0.00008713774675
                2p
                   -1 :               0.00001900687210
                   +0 :               0.00000074301039
                   +1 :              -0.00000835920690
                3s
                   +0 :              -0.00038027810231
                4s
                   +0 :               0.00004210205844
                3p
                   -1 :              -0.00012667107200
                   +0 :               0.00001438564475
                   +1 :               0.00003431933930
                4p
                   -1 :               0.00001570056423
                   +0 :               0.00000478279793
                   +1 :               0.00002948650141
                3d
                   -2 :               0.00003622875032
                   -1 :               0.00000322354286
                   +0 :              -0.00000467149793
                   +1 :              -0.00000410060468
                   +2 :               0.00004043815252
             12 vec=     5.186775    -15.215192     -6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00001740040885
                2p
                   -1 :              -0.00000086479884
                   +0 :              -0.00003109791994
                   +1 :              -0.00001635165901
                3s
                   +0 :               0.00018891338289
                4s
                   +0 :              -0.00005686178058
                3p
                   -1 :              -0.00004759322871
                   +0 :               0.00011388949452
                   +1 :               0.00007813799212
                4p
                   -1 :               0.00001852738212
                   +0 :              -0.00001384179925
                   +1 :              -0.00001526891700
                3d
                   -2 :              -0.00004034795904
                   -1 :              -0.00003174433140
                   +0 :              -0.00002215865925
                   +1 :               0.00001069303647
                   +2 :              -0.00001721450417
             13 vec=    -2.593388     16.227961     -6.601898   |vec|=   17.710376
                2s
                   +0 :               0.00000787498395
                2p
                   -1 :               0.00000695330263
                   +0 :               0.00003135235413
                   +1 :               0.00002841445838
                3s
                   +0 :              -0.00013905034197
                4s
                   +0 :               0.00008384214233
                3p
                   -1 :              -0.00008619050198
                   +0 :              -0.00013804761595
                   +1 :              -0.00018872213876
                4p
                   -1 :               0.00005033319232
                   +0 :               0.00001998458405
                   +1 :               0.00005483115271
                3d
                   -2 :              -0.00001791974564
                   -1 :              -0.00004900717364
                   +0 :              -0.00002012439033
                   +1 :               0.00000162729161
                   +2 :               0.00001273423672
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site Al( 12)  npairs=  15
              1 vec=    -2.593388     -1.739555     10.693319   |vec|=   11.139963
                2s
                   +0 :               0.00073279898159
                2p
                   -1 :              -0.00029052414347
                   +0 :               0.00037346776027
                   +1 :              -0.00031566098769
                3s
                   +0 :              -0.00042893359986
                4s
                   +0 :               0.00027856278218
                3p
                   -1 :               0.00152204809322
                   +0 :              -0.00051196410712
                   +1 :               0.00264004955657
                4p
                   -1 :              -0.00018667533978
                   +0 :               0.00017190477668
                   +1 :              -0.00050834819392
                3d
                   -2 :              -0.00016963034394
                   -1 :               0.00017452043059
                   +0 :               0.00011588276326
                   +1 :               0.00032152455534
                   +2 :              -0.00011613874937
              2 vec=     5.186775      2.752324     10.693319   |vec|=   12.199385
                2s
                   +0 :               0.00010301125811
                2p
                   -1 :               0.00008685923874
                   +0 :               0.00006971695679
                   +1 :               0.00006981578735
                3s
                   +0 :              -0.00087272942875
                4s
                   +0 :              -0.00008818085163
                3p
                   -1 :              -0.00117691807768
                   +0 :              -0.00106039946332
                   +1 :              -0.00014581206333
                4p
                   -1 :               0.00025993815110
                   +0 :              -0.00000316430311
                   +1 :               0.00004961439287
                3d
                   -2 :              -0.00038345068038
                   -1 :              -0.00030966747282
                   +0 :              -0.00047900703273
                   +1 :              -0.00025848834420
                   +2 :              -0.00022918307430
              3 vec=    -2.593388      7.244203     10.693319   |vec|=   13.173883
                2s
                   +0 :              -0.00041960151411
                2p
                   -1 :               0.00009076322623
                   +0 :              -0.00004473585955
                   +1 :               0.00012059445813
                3s
                   +0 :               0.00323634635043
                4s
                   +0 :              -0.00051877707468
                3p
                   -1 :               0.00084316046058
                   +0 :               0.00142836707865
                   +1 :              -0.00090080494447
                4p
                   -1 :               0.00001178881767
                   +0 :              -0.00013002844899
                   +1 :               0.00022646058434
                3d
                   -2 :               0.00000551136179
                   -1 :               0.00029278262412
                   +0 :               0.00021401387889
                   +1 :              -0.00017978866356
                   +2 :              -0.00018425741646
              4 vec=     5.186775     -6.231434     10.693319   |vec|=   13.419406
                2s
                   +0 :              -0.00011932408107
                2p
                   -1 :              -0.00005454573048
                   +0 :              -0.00003547554136
                   +1 :              -0.00001965160103
                3s
                   +0 :               0.00154189787640
                4s
                   +0 :              -0.00023867423877
                3p
                   -1 :              -0.00039619400434
                   +0 :               0.00125519513577
                   +1 :               0.00105532580078
                4p
                   -1 :               0.00009238974831
                   +0 :              -0.00011299756978
                   +1 :              -0.00007661130418
                3d
                   -2 :              -0.00024453995257
                   -1 :              -0.00022909785530
                   +0 :               0.00043960956877
                   +1 :               0.00027243999060
                   +2 :              -0.00007376953545
              5 vec=    -2.593388     -1.739555    -13.854224   |vec|=   14.201804
                2s
                   +0 :               0.00001515699295
                2p
                   -1 :              -0.00002165750229
                   +0 :              -0.00003241145756
                   +1 :               0.00011950860589
                3s
                   +0 :              -0.00026952041884
                4s
                   +0 :               0.00011334527267
                3p
                   -1 :               0.00004489718217
                   +0 :               0.00013681628992
                   +1 :              -0.00063557252776
                4p
                   -1 :              -0.00000556705122
                   +0 :              -0.00004904573613
                   +1 :               0.00011488167104
                3d
                   -2 :              -0.00004861350294
                   -1 :              -0.00005770099364
                   +0 :               0.00000234223325
                   +1 :               0.00008263007507
                   +2 :               0.00007979043205
              6 vec=     5.186775      2.752324    -13.854224   |vec|=   15.047174
                2s
                   +0 :               0.00016644438054
                2p
                   -1 :               0.00006211696375
                   +0 :              -0.00002381158116
                   +1 :               0.00010967660998
                3s
                   +0 :              -0.00049400232931
                4s
                   +0 :               0.00007647613856
                3p
                   -1 :              -0.00024951661067
                   +0 :               0.00004689260045
                   +1 :              -0.00034462789599
                4p
                   -1 :               0.00005075399787
                   +0 :              -0.00001501711068
                   +1 :               0.00000419952711
                3d
                   -2 :              -0.00011120558566
                   -1 :              -0.00001614876096
                   +0 :               0.00007738378886
                   +1 :               0.00003513053263
                   +2 :              -0.00006143004395
              7 vec=   -10.373550      2.752324     10.693319   |vec|=   15.150343
                2s
                   +0 :              -0.00004531057699
                2p
                   -1 :              -0.00003404272975
                   +0 :               0.00001362820908
                   +1 :              -0.00001687293548
                3s
                   +0 :               0.00021954216457
                4s
                   +0 :              -0.00000886493846
                3p
                   -1 :               0.00008324475258
                   +0 :              -0.00016316854188
                   +1 :               0.00011040995218
                4p
                   -1 :               0.00001237252019
                   +0 :               0.00004680374809
                   +1 :              -0.00005114883273
                3d
                   -2 :               0.00003939981402
                   -1 :              -0.00000992364121
                   +0 :               0.00004256745583
                   +1 :               0.00002970660655
                   +2 :              -0.00002687814551
              8 vec=    -2.593388    -10.723313     10.693319   |vec|=   15.364315
                2s
                   +0 :              -0.00011950297644
                2p
                   -1 :               0.00000941475057
                   +0 :               0.00000293370798
                   +1 :               0.00001996345521
                3s
                   +0 :               0.00060863475169
                4s
                   +0 :              -0.00006817932277
                3p
                   -1 :              -0.00010836167888
                   +0 :              -0.00004285323521
                   +1 :              -0.00016382726310
                4p
                   -1 :              -0.00003325440949
                   +0 :               0.00003691958345
                   +1 :               0.00003230254162
                3d
                   -2 :               0.00003284388153
                   -1 :              -0.00000368467810
                   +0 :               0.00001981662365
                   +1 :               0.00003101456560
                   +2 :               0.00005747479041
              9 vec=    -2.593388      7.244203    -13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00010029404337
                2p
                   -1 :               0.00002262590033
                   +0 :              -0.00002711010696
                   +1 :               0.00002425594864
                3s
                   +0 :              -0.00061499798374
                4s
                   +0 :               0.00017168882617
                3p
                   -1 :              -0.00021885012331
                   +0 :               0.00030747761086
                   +1 :               0.00005741087737
                4p
                   -1 :               0.00003470595640
                   +0 :              -0.00012262314490
                   +1 :               0.00000284481186
                3d
                   -2 :               0.00002233599790
                   -1 :               0.00005498798114
                   +0 :              -0.00003539147679
                   +1 :              -0.00000932211075
                   +2 :              -0.00006495115855
             10 vec=     5.186775     -6.231434    -13.854224   |vec|=   16.052194
                2s
                   +0 :              -0.00004295678008
                2p
                   -1 :               0.00003680374184
                   +0 :               0.00001373998892
                   +1 :               0.00002963718780
                3s
                   +0 :              -0.00017656943517
                4s
                   +0 :               0.00003968206816
                3p
                   -1 :               0.00014060627124
                   +0 :               0.00006601936740
                   +1 :              -0.00012684978118
                4p
                   -1 :               0.00004465294588
                   +0 :              -0.00004471872899
                   +1 :               0.00004656027423
                3d
                   -2 :               0.00005289342429
                   -1 :               0.00002781754823
                   +0 :               0.00000549029192
                   +1 :               0.00003944967602
                   +2 :               0.00010096375553
             11 vec=   -10.373550     -6.231434     10.693319   |vec|=   16.148943
                2s
                   +0 :               0.00015681898650
                2p
                   -1 :              -0.00004553617467
                   +0 :               0.00007270984442
                   +1 :              -0.00005743483900
                3s
                   +0 :              -0.00038730827389
                4s
                   +0 :               0.00023679006232
                3p
                   -1 :               0.00017847885350
                   +0 :              -0.00031099563622
                   +1 :               0.00023209683612
                4p
                   -1 :              -0.00004330521177
                   +0 :               0.00013425769869
                   +1 :              -0.00007153584021
                3d
                   -2 :              -0.00001333393921
                   -1 :               0.00003380467281
                   +0 :              -0.00004077681361
                   +1 :               0.00004325362387
                   +2 :               0.00001169833694
             12 vec=     5.186775     11.736082     10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00000091845566
                2p
                   -1 :               0.00000729739902
                   +0 :               0.00002244884555
                   +1 :               0.00001418723811
                3s
                   +0 :               0.00002391888001
                4s
                   +0 :               0.00001508940039
                3p
                   -1 :              -0.00016860858085
                   +0 :              -0.00018514776057
                   +1 :              -0.00008178566525
                4p
                   -1 :               0.00003502344565
                   +0 :               0.00004269759588
                   +1 :               0.00000850838562
                3d
                   -2 :              -0.00007414000792
                   -1 :              -0.00004465547262
                   +0 :              -0.00006138637672
                   +1 :              -0.00003470052058
                   +2 :              -0.00002501622561
             13 vec=    12.966938     -1.739555     10.693319   |vec|=   16.897177
                2s
                   +0 :              -0.00001495117546
                2p
                   -1 :              -0.00002227893245
                   +0 :              -0.00002745338499
                   +1 :               0.00001328219374
                3s
                   +0 :              -0.00001263505638
                4s
                   +0 :              -0.00001493759849
                3p
                   -1 :               0.00014820978625
                   +0 :               0.00024759697998
                   +1 :              -0.00014890900387
                4p
                   -1 :              -0.00003405658297
                   +0 :              -0.00005981155501
                   +1 :               0.00003990126109
                3d
                   -2 :               0.00002188263899
                   -1 :              -0.00000652690931
                   +0 :              -0.00000452486946
                   +1 :               0.00001431200447
                   +2 :              -0.00003051091467
             14 vec=   -10.373550      2.752324    -13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00001160363039
                2p
                   -1 :              -0.00002235924712
                   +0 :               0.00002076278884
                   +1 :               0.00002538142554
                3s
                   +0 :              -0.00076407592892
                4s
                   +0 :               0.00001053254886
                3p
                   -1 :              -0.00024142565587
                   +0 :               0.00007617183279
                   +1 :               0.00036064194337
                4p
                   -1 :              -0.00000597542894
                   +0 :              -0.00000037591146
                   +1 :               0.00003294117209
                3d
                   -2 :               0.00015078018513
                   -1 :               0.00002788006588
                   +0 :               0.00008612088100
                   +1 :              -0.00003574318527
                   +2 :              -0.00006490851405
             15 vec=    -2.593388    -10.723313    -13.854224   |vec|=   17.710297
                2s
                   +0 :              -0.00002552492903
                2p
                   -1 :               0.00001862848130
                   +0 :              -0.00000263418355
                   +1 :               0.00001894769982
                3s
                   +0 :              -0.00011287049701
                4s
                   +0 :              -0.00000196113782
                3p
                   -1 :               0.00009186735646
                   +0 :               0.00006993496206
                   +1 :              -0.00004425945964
                4p
                   -1 :               0.00000694538746
                   +0 :              -0.00001680315996
                   +1 :               0.00002834735996
                3d
                   -2 :              -0.00002647250845
                   -1 :              -0.00002816802438
                   +0 :               0.00001192154035
                   +1 :              -0.00000968183959
                   +2 :               0.00000350394073
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 13)  npairs=  14
              1 vec=    -2.802933      1.376012      4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00226690308128
                2s
                   +0 :               0.06105045245013
                3s
                   +0 :              -0.00298405550546
                2p
                   -1 :               0.01407188976961
                   +0 :               0.02306124836980
                   +1 :              -0.02272296735831
                3p
                   -1 :              -0.00310467202271
                   +0 :               0.00327752667772
                   +1 :              -0.00242377993058
                3d
                   -2 :              -0.00074231527450
                   -1 :               0.00204656108594
                   +0 :               0.00153203114435
                   +1 :              -0.00261156632149
                   +2 :               0.00058233342511
              2 vec=     4.977229     -3.115867      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00072590859913
                2s
                   +0 :              -0.00341533879339
                3s
                   +0 :               0.00191683253833
                2p
                   -1 :               0.00015830193502
                   +0 :              -0.00596478210249
                   +1 :               0.00233798624724
                3p
                   -1 :              -0.00340884920140
                   +0 :               0.00181203933332
                   +1 :               0.00219877538431
                3d
                   -2 :              -0.00078354650314
                   -1 :              -0.00027345257779
                   +0 :              -0.00178011679902
                   +1 :               0.00011065731685
                   +2 :               0.00043787198965
              3 vec=     4.977229      5.867891      4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00011032606941
                2s
                   +0 :              -0.00136930427939
                3s
                   +0 :               0.00052404751836
                2p
                   -1 :               0.00096055929522
                   +0 :              -0.00208641373903
                   +1 :              -0.00161661908205
                3p
                   -1 :               0.00034204267083
                   +0 :              -0.00004225502798
                   +1 :               0.00084713903923
                3d
                   -2 :               0.00017926481490
                   -1 :              -0.00013524935280
                   +0 :              -0.00015617109744
                   +1 :               0.00000181026549
                   +2 :              -0.00010165425294
              4 vec=    -2.802933     -7.607746      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00002997178887
                2s
                   +0 :               0.00082382960007
                3s
                   +0 :               0.00020140021643
                2p
                   -1 :              -0.00243324572217
                   +0 :              -0.00075557621461
                   +1 :              -0.00028534699844
                3p
                   -1 :               0.00133212751743
                   +0 :              -0.00013477189974
                   +1 :              -0.00073285319523
                3d
                   -2 :               0.00012497219035
                   -1 :               0.00011958412234
                   +0 :              -0.00005081514477
                   +1 :               0.00000474746326
                   +2 :              -0.00001233469101
              5 vec=    -2.802933     10.359770      4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00026841235464
                2s
                   +0 :              -0.00149351072214
                3s
                   +0 :               0.00085363623656
                2p
                   -1 :              -0.00028059862676
                   +0 :               0.00025890169793
                   +1 :               0.00016561333008
                3p
                   -1 :               0.00042056684427
                   +0 :              -0.00050236900613
                   +1 :              -0.00040084129187
                3d
                   -2 :              -0.00009184233075
                   -1 :              -0.00002454351344
                   +0 :              -0.00006404665978
                   +1 :               0.00002231377108
                   +2 :               0.00000117548661
              6 vec=   -10.583096     -3.115867      4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00000762666650
                2s
                   +0 :               0.00021418624305
                3s
                   +0 :               0.00013006532059
                2p
                   -1 :               0.00002562725660
                   +0 :              -0.00019038545696
                   +1 :              -0.00049772451209
                3p
                   -1 :              -0.00005035906690
                   +0 :              -0.00001299822802
                   +1 :               0.00006489341935
                3d
                   -2 :              -0.00000702461002
                   -1 :               0.00001264335294
                   +0 :              -0.00002208872598
                   +1 :              -0.00000490321521
                   +2 :               0.00001286238499
              7 vec=   -10.583096      5.867891      4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00001803205506
                2s
                   +0 :               0.00003763686104
                3s
                   +0 :               0.00010524246017
                2p
                   -1 :              -0.00004100733940
                   +0 :              -0.00013009821986
                   +1 :               0.00039704904610
                3p
                   -1 :               0.00019808151674
                   +0 :               0.00014626218547
                   +1 :              -0.00035969487931
                3d
                   -2 :               0.00000909252156
                   -1 :               0.00002431672169
                   +0 :              -0.00003705636333
                   +1 :               0.00001046047898
                   +2 :               0.00000799811590
              8 vec=    12.757392      1.376012      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00007059491671
                2s
                   +0 :               0.00080357662260
                3s
                   +0 :              -0.00008318356393
                2p
                   -1 :              -0.00012901643024
                   +0 :              -0.00004476046134
                   +1 :               0.00058230476627
                3p
                   -1 :               0.00012608405139
                   +0 :               0.00020413556774
                   +1 :              -0.00015337636448
                3d
                   -2 :               0.00001436543847
                   -1 :               0.00000254465427
                   +0 :               0.00000895931261
                   +1 :               0.00004029150409
                   +2 :               0.00002450275539
              9 vec=     4.977229    -12.099625      4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00000027247550
                2s
                   +0 :               0.00034258831330
                3s
                   +0 :               0.00014402202639
                2p
                   -1 :              -0.00015261865534
                   +0 :               0.00001491512617
                   +1 :               0.00007744819927
                3p
                   -1 :              -0.00011456899858
                   +0 :               0.00007749027698
                   +1 :               0.00003802142669
                3d
                   -2 :              -0.00002535869482
                   -1 :              -0.00000720264634
                   +0 :               0.00001424893647
                   +1 :              -0.00000578864488
                   +2 :              -0.00001348712747
             10 vec=    12.757392     -7.607746      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00001392063370
                2s
                   +0 :               0.00004144364085
                3s
                   +0 :               0.00009085943921
                2p
                   -1 :              -0.00011544189013
                   +0 :              -0.00005734912260
                   +1 :               0.00016998380545
                3p
                   -1 :               0.00006824956744
                   +0 :               0.00010062306806
                   +1 :              -0.00003865519199
                3d
                   -2 :              -0.00000401552241
                   -1 :              -0.00001166570209
                   +0 :               0.00001343794380
                   +1 :               0.00003715543052
                   +2 :               0.00001248905280
             11 vec=     4.977229     14.851649      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000006130571
                2s
                   +0 :               0.00006717568118
                3s
                   +0 :               0.00004445354919
                2p
                   -1 :              -0.00011472177493
                   +0 :              -0.00004420050099
                   +1 :              -0.00014751346869
                3p
                   -1 :               0.00022130628801
                   +0 :              -0.00003725642333
                   +1 :               0.00015199251789
                3d
                   -2 :               0.00002406655955
                   -1 :              -0.00000435402751
                   +0 :              -0.00001267028504
                   +1 :               0.00000073128462
                   +2 :              -0.00001065925976
             12 vec=   -10.583096    -12.099625      4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00002140546212
                2s
                   +0 :               0.00017322183077
                3s
                   +0 :              -0.00003516780300
                2p
                   -1 :              -0.00000648333742
                   +0 :              -0.00003531478587
                   +1 :              -0.00009685908472
                3p
                   -1 :              -0.00003870764222
                   +0 :              -0.00001207994616
                   +1 :               0.00001056854478
                3d
                   -2 :               0.00000646286630
                   -1 :               0.00000028295182
                   +0 :              -0.00000548548915
                   +1 :               0.00000412631971
                   +2 :              -0.00000481677095
             13 vec=    12.757392     10.359770      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00000522731081
                2s
                   +0 :               0.00006614752005
                3s
                   +0 :              -0.00000961098349
                2p
                   -1 :              -0.00000335791561
                   +0 :               0.00002542488879
                   +1 :               0.00002478271225
                3p
                   -1 :               0.00001837798519
                   +0 :              -0.00002187523433
                   +1 :               0.00001977043768
                3d
                   -2 :               0.00000124790262
                   -1 :              -0.00000102201078
                   +0 :              -0.00000252583595
                   +1 :              -0.00000241568482
                   +2 :              -0.00000232067770
             14 vec=    -2.802933    -16.591504      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00002569778697
                2s
                   +0 :               0.00024741163417
                3s
                   +0 :              -0.00005054898006
                2p
                   -1 :              -0.00012132876835
                   +0 :              -0.00000629689612
                   +1 :               0.00003858446506
                3p
                   -1 :               0.00004550880613
                   +0 :               0.00001218864325
                   +1 :              -0.00003332111038
                3d
                   -2 :               0.00000146660387
                   -1 :               0.00000085515637
                   +0 :               0.00000359606772
                   +1 :              -0.00000006635127
                   +2 :              -0.00000598837967
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 14)  npairs=  14
              1 vec=     0.209546     -3.115867      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00340852859612
                2s
                   +0 :               0.05239288292921
                3s
                   +0 :              -0.00572966120951
                2p
                   -1 :              -0.02042753481367
                   +0 :               0.01818608159166
                   +1 :               0.00356801813216
                3p
                   -1 :               0.00230632584699
                   +0 :              -0.00023288211543
                   +1 :              -0.00131554882676
                3d
                   -2 :              -0.00042880350588
                   -1 :              -0.00224513062541
                   +0 :               0.00041770458136
                   +1 :               0.00045767509682
                   +2 :              -0.00029323627567
              2 vec=     0.209546      5.867891      4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00246864572832
                2s
                   +0 :               0.01851737675128
                3s
                   +0 :              -0.00792493580236
                2p
                   -1 :               0.01754032163738
                   +0 :               0.00655625176298
                   +1 :               0.00039944320418
                3p
                   -1 :              -0.01129227026814
                   +0 :              -0.00511894396266
                   +1 :              -0.00050728954189
                3d
                   -2 :              -0.00024259441690
                   -1 :              -0.00049724611308
                   +0 :               0.00032075349449
                   +1 :               0.00002180138353
                   +2 :               0.00063018505770
              3 vec=    -7.570617      1.376012      4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00012382102662
                2s
                   +0 :               0.00145870609783
                3s
                   +0 :               0.00012699538732
                2p
                   -1 :              -0.00118029814103
                   +0 :              -0.00282639288723
                   +1 :              -0.00458741981647
                3p
                   -1 :               0.00076456716475
                   +0 :               0.00108780815439
                   +1 :               0.00104052404340
                3d
                   -2 :              -0.00000595467830
                   -1 :              -0.00000809604005
                   +0 :              -0.00004554878820
                   +1 :              -0.00000161829059
                   +2 :               0.00022630278576
              4 vec=     7.989708      1.376012      4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00011638524291
                2s
                   +0 :               0.00104403308110
                3s
                   +0 :              -0.00005116978604
                2p
                   -1 :               0.00004509859848
                   +0 :              -0.00117300074028
                   +1 :               0.00191493898395
                3p
                   -1 :               0.00016010465387
                   +0 :               0.00042744386545
                   +1 :               0.00046898040607
                3d
                   -2 :               0.00012993173715
                   -1 :               0.00008004130327
                   +0 :              -0.00007571719039
                   +1 :               0.00004928424510
                   +2 :               0.00016593333185
              5 vec=    -7.570617     -7.607746      4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00003643489216
                2s
                   +0 :               0.00069562489401
                3s
                   +0 :               0.00003552426025
                2p
                   -1 :              -0.00054968189113
                   +0 :               0.00018197151061
                   +1 :              -0.00013187599436
                3p
                   -1 :               0.00023973749242
                   +0 :              -0.00004841971687
                   +1 :              -0.00010426264924
                3d
                   -2 :              -0.00002046659259
                   -1 :              -0.00004096092126
                   +0 :               0.00003736888902
                   +1 :              -0.00001291409501
                   +2 :              -0.00000798028858
              6 vec=     7.989708     -7.607746      4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00022186227259
                2s
                   +0 :               0.00159290502828
                3s
                   +0 :              -0.00056901014366
                2p
                   -1 :              -0.00123707615100
                   +0 :              -0.00044576671520
                   +1 :               0.00144107575492
                3p
                   -1 :               0.00059166054543
                   +0 :               0.00080343899476
                   +1 :              -0.00081541028845
                3d
                   -2 :               0.00004291334063
                   -1 :              -0.00008569782070
                   +0 :              -0.00000641466694
                   +1 :               0.00008931579971
                   +2 :               0.00000213148536
              7 vec=     0.209546    -12.099625      4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00001313683427
                2s
                   +0 :               0.00029796083379
                3s
                   +0 :               0.00004132775700
                2p
                   -1 :               0.00022856602394
                   +0 :               0.00022777609073
                   +1 :              -0.00007158699452
                3p
                   -1 :              -0.00034201975381
                   +0 :              -0.00015420224334
                   +1 :               0.00004786540432
                3d
                   -2 :              -0.00000641407346
                   -1 :               0.00000974230882
                   +0 :              -0.00000928773356
                   +1 :               0.00003523569583
                   +2 :               0.00000656702425
              8 vec=    -7.570617     10.359770      4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00001275496238
                2s
                   +0 :               0.00030980438862
                3s
                   +0 :               0.00005576243570
                2p
                   -1 :               0.00030894801871
                   +0 :               0.00013394879552
                   +1 :               0.00006748819529
                3p
                   -1 :               0.00003113153605
                   +0 :              -0.00015545983895
                   +1 :              -0.00024898910456
                3d
                   -2 :              -0.00003452607691
                   -1 :              -0.00001532709029
                   +0 :              -0.00003577654848
                   +1 :               0.00000294714872
                   +2 :              -0.00000729776621
              9 vec=     7.989708     10.359770      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00003518007961
                2s
                   +0 :               0.00040081451572
                3s
                   +0 :              -0.00003957680929
                2p
                   -1 :               0.00019354619676
                   +0 :              -0.00027327045705
                   +1 :               0.00042315051972
                3p
                   -1 :               0.00001098087878
                   +0 :               0.00011787577135
                   +1 :              -0.00016864969452
                3d
                   -2 :              -0.00000437328308
                   -1 :               0.00000312224166
                   +0 :              -0.00002275887880
                   +1 :               0.00000218935117
                   +2 :               0.00000519641001
             10 vec=     0.209546     14.851649      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00000007259002
                2s
                   +0 :               0.00000430550188
                3s
                   +0 :               0.00003023389858
                2p
                   -1 :               0.00003163900817
                   +0 :              -0.00000420997510
                   +1 :              -0.00006654313424
                3p
                   -1 :               0.00003345659740
                   +0 :              -0.00006513201506
                   +1 :               0.00005881961183
                3d
                   -2 :               0.00000992612820
                   -1 :              -0.00000859589400
                   +0 :              -0.00001368524007
                   +1 :              -0.00000309662994
                   +2 :              -0.00001484098564
             11 vec=   -15.350780     -3.115867      4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00001164505487
                2s
                   +0 :               0.00011079342172
                3s
                   +0 :               0.00002790490787
                2p
                   -1 :              -0.00004869765031
                   +0 :              -0.00005463592107
                   +1 :               0.00000084257805
                3p
                   -1 :              -0.00001253452820
                   +0 :               0.00006766491444
                   +1 :              -0.00008782779612
                3d
                   -2 :               0.00000847685785
                   -1 :              -0.00001348436837
                   +0 :               0.00000407441199
                   +1 :              -0.00001703247717
                   +2 :               0.00000123887559
             12 vec=    15.769871     -3.115867      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00000795488761
                2s
                   +0 :              -0.00000369222056
                3s
                   +0 :               0.00005195943272
                2p
                   -1 :              -0.00003336471807
                   +0 :               0.00003332460667
                   +1 :               0.00013085726025
                3p
                   -1 :              -0.00000510892513
                   +0 :               0.00001452361341
                   +1 :               0.00003326365191
                3d
                   -2 :               0.00000116532468
                   -1 :              -0.00000394941004
                   +0 :              -0.00000909981620
                   +1 :               0.00000251551242
                   +2 :               0.00000570507940
             13 vec=   -15.350780      5.867891      4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000686294592
                2s
                   +0 :               0.00003069296311
                3s
                   +0 :              -0.00002479426096
                2p
                   -1 :              -0.00001447873046
                   +0 :              -0.00009877755646
                   +1 :              -0.00003182861542
                3p
                   -1 :               0.00003700985941
                   +0 :               0.00006236098665
                   +1 :               0.00002996794829
                3d
                   -2 :              -0.00000138782161
                   -1 :              -0.00000092090944
                   +0 :               0.00000695662088
                   +1 :              -0.00000370701654
                   +2 :              -0.00000176507930
             14 vec=    15.769871      5.867891      4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000494563095
                2s
                   +0 :               0.00002164166430
                3s
                   +0 :              -0.00001400456131
                2p
                   -1 :               0.00002678310781
                   +0 :              -0.00002998300255
                   +1 :              -0.00001957726566
                3p
                   -1 :               0.00000688877507
                   +0 :               0.00001163350790
                   +1 :               0.00002908276385
                3d
                   -2 :              -0.00000092630414
                   -1 :               0.00000194221509
                   +0 :               0.00000094515305
                   +1 :               0.00000083221015
                   +2 :              -0.00000186350674
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 15)  npairs=  14
              1 vec=     2.593388      1.013068      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00288318792475
                2s
                   +0 :               0.07415880754124
                3s
                   +0 :              -0.00506540570351
                2p
                   -1 :               0.01111772954858
                   +0 :               0.03562433411186
                   +1 :               0.03123063376171
                3p
                   -1 :              -0.00413047947407
                   +0 :              -0.00583365056067
                   +1 :              -0.00457862345607
                3d
                   -2 :               0.00044909185715
                   -1 :               0.00014903347387
                   +0 :               0.00036837232657
                   +1 :               0.00083985181698
                   +2 :               0.00126736044266
              2 vec=    -5.186775     -3.478811      4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00051398508327
                2s
                   +0 :               0.00473615229178
                3s
                   +0 :              -0.00141796474122
                2p
                   -1 :              -0.00139159670315
                   +0 :               0.00063639933790
                   +1 :              -0.00536994135602
                3p
                   -1 :               0.00004089477731
                   +0 :              -0.00001067689268
                   +1 :               0.00214586070170
                3d
                   -2 :              -0.00018999335979
                   -1 :              -0.00002806041887
                   +0 :               0.00032914536842
                   +1 :               0.00008574055487
                   +2 :               0.00010313329348
              3 vec=    -5.186775      5.504947      4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00015793446114
                2s
                   +0 :               0.00083843744908
                3s
                   +0 :              -0.00055332091908
                2p
                   -1 :               0.00328964772309
                   +0 :              -0.00262704768704
                   +1 :              -0.00121883296950
                3p
                   -1 :              -0.00083637497451
                   +0 :               0.00016936071169
                   +1 :               0.00135896157974
                3d
                   -2 :              -0.00009012999797
                   -1 :              -0.00013238278706
                   +0 :              -0.00005265328755
                   +1 :               0.00011688044034
                   +2 :              -0.00022083374434
              4 vec=     2.593388     -7.970690      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00010923744364
                2s
                   +0 :               0.00127773039064
                3s
                   +0 :              -0.00000558938793
                2p
                   -1 :              -0.00193278017703
                   +0 :               0.00094870935893
                   +1 :               0.00127558501626
                3p
                   -1 :               0.00063096212993
                   +0 :              -0.00090009584431
                   +1 :              -0.00040965196709
                3d
                   -2 :              -0.00001238236074
                   -1 :               0.00004235038613
                   +0 :               0.00006606662796
                   +1 :              -0.00009132692368
                   +2 :               0.00000154345160
              5 vec=     2.593388      9.996826      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00006442031463
                2s
                   +0 :               0.00018908697405
                3s
                   +0 :               0.00032435002161
                2p
                   -1 :               0.00046192154464
                   +0 :               0.00152202192127
                   +1 :               0.00100208608715
                3p
                   -1 :              -0.00034163305533
                   +0 :              -0.00089284672635
                   +1 :              -0.00073227779816
                3d
                   -2 :              -0.00005611439641
                   -1 :               0.00006139763274
                   +0 :               0.00025855934229
                   +1 :              -0.00003703904978
                   +2 :               0.00008855975500
              6 vec=    10.373550     -3.478811      4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00022027109812
                2s
                   +0 :               0.00169701507640
                3s
                   +0 :              -0.00057900156829
                2p
                   -1 :              -0.00074929503496
                   +0 :               0.00081191636902
                   +1 :               0.00151171390217
                3p
                   -1 :               0.00062417105682
                   +0 :              -0.00044402517312
                   +1 :              -0.00072708849286
                3d
                   -2 :               0.00005979975255
                   -1 :              -0.00004777746384
                   +0 :              -0.00002996190256
                   +1 :               0.00001557757825
                   +2 :               0.00003129028542
              7 vec=    10.373550      5.504947      4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001776194073
                2s
                   +0 :               0.00032368010282
                3s
                   +0 :              -0.00005807499442
                2p
                   -1 :               0.00046237518695
                   +0 :               0.00014674369129
                   +1 :              -0.00014845680981
                3p
                   -1 :              -0.00019670642007
                   +0 :              -0.00001579734942
                   +1 :               0.00003662246485
                3d
                   -2 :               0.00000829937235
                   -1 :              -0.00001222239810
                   +0 :               0.00000225684900
                   +1 :              -0.00000601296635
                   +2 :              -0.00001097305865
              8 vec=   -12.966938      1.013068      4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00001232490939
                2s
                   +0 :               0.00038511652443
                3s
                   +0 :               0.00010219305246
                2p
                   -1 :              -0.00022359099539
                   +0 :               0.00004543672957
                   +1 :              -0.00035990992039
                3p
                   -1 :               0.00012896486810
                   +0 :              -0.00003287801708
                   +1 :              -0.00020578831647
                3d
                   -2 :              -0.00000446890612
                   -1 :              -0.00000025831293
                   +0 :              -0.00001713162817
                   +1 :              -0.00002132864659
                   +2 :               0.00004038132900
              9 vec=    -5.186775    -12.462569      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00006546617526
                2s
                   +0 :               0.00064301047734
                3s
                   +0 :              -0.00008734308946
                2p
                   -1 :              -0.00016401841896
                   +0 :              -0.00027855851432
                   +1 :              -0.00021336778050
                3p
                   -1 :              -0.00021639392755
                   +0 :               0.00020226877094
                   +1 :               0.00004119326403
                3d
                   -2 :               0.00001276479804
                   -1 :              -0.00000868310420
                   +0 :              -0.00002571145063
                   +1 :              -0.00002218764722
                   +2 :              -0.00001878804464
             10 vec=   -12.966938     -7.970690      4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000237169534
                2s
                   +0 :               0.00004111348683
                3s
                   +0 :               0.00001836379671
                2p
                   -1 :              -0.00003601406909
                   +0 :              -0.00009324911103
                   +1 :              -0.00007012579625
                3p
                   -1 :              -0.00002617792260
                   +0 :               0.00003885337749
                   +1 :               0.00000184266860
                3d
                   -2 :              -0.00000172621543
                   -1 :               0.00000032285622
                   +0 :              -0.00000191060655
                   +1 :              -0.00000079755232
                   +2 :              -0.00000076425142
             11 vec=    -5.186775     14.488705      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00001661401006
                2s
                   +0 :               0.00010415071466
                3s
                   +0 :               0.00001181745276
                2p
                   -1 :              -0.00018649790817
                   +0 :               0.00004759728288
                   +1 :               0.00007281598752
                3p
                   -1 :               0.00023759712947
                   +0 :              -0.00005724384850
                   +1 :              -0.00007211708515
                3d
                   -2 :              -0.00000345369629
                   -1 :               0.00000646746745
                   +0 :              -0.00000278471980
                   +1 :               0.00000576117971
                   +2 :              -0.00001996896220
             12 vec=    10.373550    -12.462569      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00000431090048
                2s
                   +0 :              -0.00000206212857
                3s
                   +0 :               0.00002925790407
                2p
                   -1 :               0.00001881952602
                   +0 :               0.00003394893082
                   +1 :               0.00017654213211
                3p
                   -1 :              -0.00009510485956
                   +0 :               0.00001408197384
                   +1 :              -0.00008111483694
                3d
                   -2 :              -0.00000314953425
                   -1 :               0.00000032485280
                   +0 :              -0.00001090813997
                   +1 :              -0.00000093661807
                   +2 :              -0.00001432484652
             13 vec=   -12.966938      9.996826      4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00001315576421
                2s
                   +0 :               0.00008365913487
                3s
                   +0 :              -0.00003688925776
                2p
                   -1 :               0.00006672617506
                   +0 :              -0.00008628801146
                   +1 :              -0.00006537906693
                3p
                   -1 :              -0.00003983469622
                   +0 :               0.00006167373163
                   +1 :               0.00002927839940
                3d
                   -2 :              -0.00000735125100
                   -1 :               0.00001261591258
                   +0 :               0.00000405502618
                   +1 :              -0.00000073689860
                   +2 :               0.00000524646665
             14 vec=     2.593388    -16.954448      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00001147612733
                2s
                   +0 :               0.00012180676658
                3s
                   +0 :              -0.00002312475195
                2p
                   -1 :              -0.00007956029983
                   +0 :              -0.00004909325076
                   +1 :              -0.00000780374044
                3p
                   -1 :               0.00001581922668
                   +0 :               0.00003485470299
                   +1 :               0.00000378859435
                3d
                   -2 :               0.00000322536586
                   -1 :              -0.00000031773834
                   +0 :               0.00000027089436
                   +1 :               0.00000002130586
                   +2 :               0.00000550243182
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 16)  npairs=  14
              1 vec=     0.209546     -0.363243     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00054346018450
                2s
                   +0 :              -0.00200400467484
                3s
                   +0 :               0.00179575256613
                2p
                   -1 :              -0.00046177832221
                   +0 :               0.00440146776784
                   +1 :              -0.00250218362154
                3p
                   -1 :               0.00032289439638
                   +0 :              -0.00387876945696
                   +1 :               0.00113888314157
                3d
                   -2 :               0.00008912574710
                   -1 :               0.00002675872262
                   +0 :               0.00074801504704
                   +1 :               0.00014983851393
                   +2 :              -0.00002735621637
              2 vec=     0.209546      8.620515     -8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00022513535428
                2s
                   +0 :               0.00082775985796
                3s
                   +0 :              -0.00082937646922
                2p
                   -1 :              -0.00151376650453
                   +0 :              -0.00133010169824
                   +1 :               0.00049868753603
                3p
                   -1 :               0.00078752483624
                   +0 :               0.00102385005528
                   +1 :              -0.00052325351145
                3d
                   -2 :              -0.00000468011401
                   -1 :              -0.00003903666030
                   +0 :              -0.00005347461813
                   +1 :              -0.00002538878980
                   +2 :              -0.00004547481004
              3 vec=    -7.570617      4.128636     -8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00002626653428
                2s
                   +0 :              -0.00021642157640
                3s
                   +0 :              -0.00012004362874
                2p
                   -1 :              -0.00061014774325
                   +0 :               0.00068147162632
                   +1 :               0.00047524416603
                3p
                   -1 :               0.00036839839449
                   +0 :              -0.00044240685509
                   +1 :              -0.00015369626414
                3d
                   -2 :              -0.00004417385847
                   -1 :              -0.00004809564710
                   +0 :               0.00004248617599
                   +1 :              -0.00002044157546
                   +2 :              -0.00002560062832
              4 vec=     7.989708      4.128636     -8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00004953426119
                2s
                   +0 :              -0.00028918215877
                3s
                   +0 :               0.00024939966376
                2p
                   -1 :              -0.00018365089563
                   +0 :              -0.00006971311369
                   +1 :              -0.00085784289824
                3p
                   -1 :              -0.00000690765372
                   +0 :              -0.00007003479570
                   +1 :               0.00048693397661
                3d
                   -2 :               0.00003125436222
                   -1 :              -0.00001002646268
                   +0 :              -0.00000656723760
                   +1 :              -0.00001587633172
                   +2 :              -0.00000020719369
              5 vec=    -7.570617     -4.855122     -8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00000844378327
                2s
                   +0 :              -0.00068264551857
                3s
                   +0 :              -0.00007673037153
                2p
                   -1 :               0.00038259641213
                   +0 :              -0.00049089812789
                   +1 :               0.00012112278298
                3p
                   -1 :               0.00003304385189
                   +0 :               0.00009987161775
                   +1 :               0.00021975772608
                3d
                   -2 :              -0.00001980504005
                   -1 :               0.00000759084363
                   +0 :               0.00003882260569
                   +1 :              -0.00001272107219
                   +2 :              -0.00000643635749
              6 vec=     7.989708     -4.855122     -8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00003534021063
                2s
                   +0 :              -0.00010708681361
                3s
                   +0 :              -0.00005924278278
                2p
                   -1 :               0.00047968613646
                   +0 :               0.00041185451550
                   +1 :              -0.00060984961815
                3p
                   -1 :              -0.00014713976248
                   +0 :              -0.00060460762586
                   +1 :               0.00030640745398
                3d
                   -2 :               0.00002387389719
                   -1 :               0.00000307392252
                   +0 :               0.00002281662012
                   +1 :              -0.00000818908991
                   +2 :               0.00001374623197
              7 vec=     0.209546     -9.347001     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00000681737171
                2s
                   +0 :               0.00012430313636
                3s
                   +0 :               0.00005322290881
                2p
                   -1 :               0.00072673632286
                   +0 :              -0.00051250516009
                   +1 :               0.00016960887387
                3p
                   -1 :              -0.00040717366788
                   +0 :               0.00038430286846
                   +1 :              -0.00024142471433
                3d
                   -2 :               0.00000514948594
                   -1 :               0.00000115137778
                   +0 :              -0.00005057558346
                   +1 :               0.00000376907474
                   +2 :              -0.00003092643767
              8 vec=     0.209546     -0.363243     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001760019785
                2s
                   +0 :              -0.00016751913702
                3s
                   +0 :               0.00005586544104
                2p
                   -1 :               0.00000384506168
                   +0 :              -0.00005433838178
                   +1 :               0.00011759220702
                3p
                   -1 :              -0.00004932833281
                   +0 :               0.00003669723976
                   +1 :              -0.00011051097994
                3d
                   -2 :               0.00000579945073
                   -1 :              -0.00000547163229
                   +0 :               0.00000869286643
                   +1 :              -0.00000560562898
                   +2 :              -0.00000129417988
              9 vec=    -7.570617     13.112394     -8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00000510618080
                2s
                   +0 :              -0.00010820292295
                3s
                   +0 :              -0.00003980054604
                2p
                   -1 :              -0.00014348797339
                   +0 :               0.00010920501925
                   +1 :              -0.00000041848192
                3p
                   -1 :               0.00005318886794
                   +0 :              -0.00006632245998
                   +1 :               0.00003265725915
                3d
                   -2 :               0.00000532040260
                   -1 :              -0.00000810279876
                   +0 :               0.00000816374795
                   +1 :              -0.00000347987551
                   +2 :               0.00000030201495
             10 vec=     7.989708     13.112394     -8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00001114684515
                2s
                   +0 :              -0.00011541300551
                3s
                   +0 :               0.00001812083561
                2p
                   -1 :              -0.00006402699502
                   +0 :               0.00004001408009
                   +1 :               0.00005632314807
                3p
                   -1 :               0.00000953072042
                   +0 :               0.00000193466193
                   +1 :              -0.00007356780925
                3d
                   -2 :              -0.00000492907029
                   -1 :               0.00000660031562
                   +0 :               0.00000703412730
                   +1 :               0.00000189361870
                   +2 :               0.00000050571955
             11 vec=   -15.350780     -0.363243     -8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00002956146346
                2s
                   +0 :              -0.00028701611740
                3s
                   +0 :               0.00004570134883
                2p
                   -1 :              -0.00000160473246
                   +0 :               0.00002257885840
                   +1 :               0.00021672948992
                3p
                   -1 :               0.00003781290374
                   +0 :               0.00003860122488
                   +1 :              -0.00006393609853
                3d
                   -2 :              -0.00000743531816
                   -1 :              -0.00000388473227
                   +0 :              -0.00000160034268
                   +1 :              -0.00000433897456
                   +2 :              -0.00000231232497
             12 vec=    15.769871     -0.363243     -8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000212198041
                2s
                   +0 :               0.00001045183219
                3s
                   +0 :               0.00001494330978
                2p
                   -1 :              -0.00003662652166
                   +0 :               0.00001253612091
                   +1 :               0.00006911357122
                3p
                   -1 :               0.00003868649006
                   +0 :               0.00001130285441
                   +1 :              -0.00006393964039
                3d
                   -2 :               0.00000095513714
                   -1 :               0.00000120508245
                   +0 :              -0.00000186955171
                   +1 :              -0.00000203071549
                   +2 :               0.00000129797243
             13 vec=    -7.570617    -13.838880     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000701219184
                2s
                   +0 :               0.00003212854582
                3s
                   +0 :              -0.00003423092677
                2p
                   -1 :               0.00004608917426
                   +0 :               0.00001914511203
                   +1 :              -0.00002551042360
                3p
                   -1 :               0.00000303333739
                   +0 :               0.00000789351254
                   +1 :               0.00004473817139
                3d
                   -2 :              -0.00000458670384
                   -1 :              -0.00000222701532
                   +0 :              -0.00000239508660
                   +1 :              -0.00000805936144
                   +2 :              -0.00000318788273
             14 vec=     7.989708    -13.838880     -8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00002061692816
                2s
                   +0 :               0.00017795554535
                3s
                   +0 :              -0.00004088893066
                2p
                   -1 :              -0.00007529386244
                   +0 :               0.00003870145458
                   +1 :               0.00003758758467
                3p
                   -1 :               0.00004413874216
                   +0 :              -0.00003203617285
                   +1 :              -0.00001467689410
                3d
                   -2 :              -0.00000215594809
                   -1 :               0.00000007751760
                   +0 :              -0.00000081955905
                   +1 :              -0.00000164343075
                   +2 :              -0.00000426273820
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 17)  npairs=  15
              1 vec=    -2.802933      4.128636     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00045378717397
                2s
                   +0 :              -0.00393335249043
                3s
                   +0 :               0.00047411930852
                2p
                   -1 :              -0.00195857655980
                   +0 :               0.00420204406256
                   +1 :              -0.00019972343206
                3p
                   -1 :              -0.00114010354430
                   +0 :              -0.00057176555230
                   +1 :              -0.00061208975830
                3d
                   -2 :              -0.00002576013772
                   -1 :               0.00039130669311
                   +0 :              -0.00015696952540
                   +1 :               0.00014774479091
                   +2 :               0.00022195657186
              2 vec=     4.977229     -0.363243     -8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00029622779257
                2s
                   +0 :              -0.00346614546184
                3s
                   +0 :               0.00016602372150
                2p
                   -1 :               0.00405893619130
                   +0 :               0.00337583862080
                   +1 :              -0.00091064612245
                3p
                   -1 :              -0.00121791182067
                   +0 :              -0.00021035661693
                   +1 :              -0.00065295762056
                3d
                   -2 :               0.00009921135380
                   -1 :              -0.00001529112513
                   +0 :              -0.00006764288879
                   +1 :               0.00012936122863
                   +2 :               0.00008492456771
              3 vec=    -2.802933     -4.855122     -8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00024003095226
                2s
                   +0 :              -0.00238663956469
                3s
                   +0 :              -0.00004625937396
                2p
                   -1 :               0.00049112486803
                   +0 :               0.00090779381274
                   +1 :               0.00235951186924
                3p
                   -1 :               0.00049707561257
                   +0 :               0.00120239428082
                   +1 :              -0.00035689220337
                3d
                   -2 :              -0.00001584941100
                   -1 :               0.00003491069738
                   +0 :              -0.00010746274977
                   +1 :              -0.00019998464493
                   +2 :              -0.00006895646090
              4 vec=     4.977229      8.620515     -8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00012502707118
                2s
                   +0 :              -0.00109742384227
                3s
                   +0 :               0.00046909752429
                2p
                   -1 :              -0.00055166299197
                   +0 :              -0.00013615496814
                   +1 :              -0.00031181703254
                3p
                   -1 :               0.00055304870884
                   +0 :              -0.00004588509047
                   +1 :              -0.00001926588950
                3d
                   -2 :               0.00000901178640
                   -1 :              -0.00007658194272
                   +0 :              -0.00000768455032
                   +1 :              -0.00000421554396
                   +2 :              -0.00005501461240
              5 vec=   -10.583096     -0.363243     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00008444242492
                2s
                   +0 :              -0.00099117558547
                3s
                   +0 :               0.00013351115246
                2p
                   -1 :              -0.00010005532282
                   +0 :               0.00003986147063
                   +1 :               0.00040412451225
                3p
                   -1 :               0.00001080446359
                   +0 :              -0.00008461691583
                   +1 :               0.00008610033311
                3d
                   -2 :               0.00000697599720
                   -1 :               0.00002521642739
                   +0 :               0.00001283387210
                   +1 :               0.00001227409312
                   +2 :              -0.00002290692751
              6 vec=     4.977229     -9.347001     -8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00004661877162
                2s
                   +0 :               0.00032688873305
                3s
                   +0 :              -0.00011129598073
                2p
                   -1 :               0.00005144446968
                   +0 :              -0.00030703872709
                   +1 :               0.00022508866126
                3p
                   -1 :              -0.00000128116758
                   +0 :               0.00022517222326
                   +1 :              -0.00013745744781
                3d
                   -2 :              -0.00000780039144
                   -1 :               0.00000104182712
                   +0 :              -0.00004554541153
                   +1 :              -0.00001112262451
                   +2 :              -0.00000806182332
              7 vec=    -2.802933     13.112394     -8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00002667095430
                2s
                   +0 :               0.00010936170927
                3s
                   +0 :              -0.00014599186624
                2p
                   -1 :               0.00022446219389
                   +0 :              -0.00011571937806
                   +1 :               0.00006772034318
                3p
                   -1 :              -0.00025207769720
                   +0 :               0.00013935747040
                   +1 :              -0.00000595385814
                3d
                   -2 :               0.00001095724561
                   -1 :               0.00001588178119
                   +0 :              -0.00000441364276
                   +1 :              -0.00000608467389
                   +2 :              -0.00000524434486
              8 vec=    12.757392      4.128636     -8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00000001715229
                2s
                   +0 :              -0.00001299264288
                3s
                   +0 :               0.00001562181916
                2p
                   -1 :               0.00001602784196
                   +0 :               0.00008794901108
                   +1 :              -0.00022754146478
                3p
                   -1 :               0.00001706521825
                   +0 :              -0.00007400683959
                   +1 :               0.00010939772336
                3d
                   -2 :               0.00000206797300
                   -1 :              -0.00000132355729
                   +0 :               0.00001032888778
                   +1 :               0.00000004072042
                   +2 :              -0.00000101668647
              9 vec=   -10.583096      8.620515     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00001945135506
                2s
                   +0 :              -0.00020940763668
                3s
                   +0 :               0.00002519370677
                2p
                   -1 :               0.00007697951674
                   +0 :               0.00003366376073
                   +1 :               0.00015913645800
                3p
                   -1 :              -0.00009984155162
                   +0 :              -0.00000258757685
                   +1 :              -0.00012429460087
                3d
                   -2 :               0.00000110653209
                   -1 :               0.00000408239381
                   +0 :              -0.00000134895942
                   +1 :              -0.00000215246621
                   +2 :               0.00000631388552
             10 vec=    12.757392     -4.855122     -8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00001972872922
                2s
                   +0 :               0.00017226877658
                3s
                   +0 :              -0.00006126662696
                2p
                   -1 :               0.00006545436628
                   +0 :               0.00014072020292
                   +1 :              -0.00001222317321
                3p
                   -1 :              -0.00007922232009
                   +0 :              -0.00014049508304
                   +1 :              -0.00003061405365
                3d
                   -2 :              -0.00000565191386
                   -1 :               0.00000312298483
                   +0 :               0.00000190193693
                   +1 :              -0.00001549835901
                   +2 :              -0.00000863105213
             11 vec=   -10.583096     -9.347001     -8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00000291761385
                2s
                   +0 :              -0.00001136090947
                3s
                   +0 :              -0.00002724749218
                2p
                   -1 :               0.00003730736659
                   +0 :              -0.00013027811201
                   +1 :               0.00006566110957
                3p
                   -1 :               0.00004229085612
                   +0 :               0.00011858535441
                   +1 :              -0.00001773617053
                3d
                   -2 :              -0.00000184678040
                   -1 :              -0.00000706884420
                   +0 :              -0.00000609498638
                   +1 :              -0.00000178830149
                   +2 :               0.00000476773475
             12 vec=    -2.802933    -13.838880     -8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000936743290
                2s
                   +0 :               0.00010114533339
                3s
                   +0 :              -0.00003372708245
                2p
                   -1 :               0.00005505522024
                   +0 :              -0.00007326582556
                   +1 :              -0.00000429461522
                3p
                   -1 :              -0.00002748673569
                   +0 :               0.00006043506702
                   +1 :              -0.00000707522457
                3d
                   -2 :              -0.00000455794761
                   -1 :              -0.00000297677679
                   +0 :               0.00000135560128
                   +1 :               0.00000316040591
                   +2 :              -0.00000148170276
             13 vec=    -2.802933      4.128636     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00004648838242
                2s
                   +0 :               0.00035939240085
                3s
                   +0 :              -0.00010572064430
                2p
                   -1 :               0.00015607478120
                   +0 :               0.00026146782772
                   +1 :              -0.00011540545999
                3p
                   -1 :              -0.00013604930154
                   +0 :              -0.00013509988947
                   +1 :               0.00004819744931
                3d
                   -2 :              -0.00000200318035
                   -1 :              -0.00000807518707
                   +0 :              -0.00000063570624
                   +1 :              -0.00000336448129
                   +2 :               0.00000369311376
             14 vec=     4.977229     -0.363243     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00001545838382
                2s
                   +0 :               0.00010599981265
                3s
                   +0 :              -0.00004121174256
                2p
                   -1 :               0.00005037945220
                   +0 :               0.00019088778659
                   +1 :               0.00001105667449
                3p
                   -1 :              -0.00004597438785
                   +0 :              -0.00011452291575
                   +1 :              -0.00001411251023
                3d
                   -2 :               0.00000186994600
                   -1 :              -0.00000321107426
                   +0 :              -0.00000510947398
                   +1 :              -0.00000763594355
                   +2 :              -0.00000279577587
             15 vec=    -2.802933     -4.855122     16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00001255368108
                2s
                   +0 :               0.00014883017739
                3s
                   +0 :              -0.00000296921601
                2p
                   -1 :               0.00003393102660
                   +0 :               0.00021007670375
                   +1 :               0.00004960039007
                3p
                   -1 :              -0.00004680169864
                   +0 :              -0.00004375468729
                   +1 :               0.00005444587406
                3d
                   -2 :              -0.00000769460939
                   -1 :              -0.00000514323778
                   +0 :               0.00000156270146
                   +1 :               0.00000813046172
                   +2 :               0.00000310661385
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 18)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00028868400733
                2s
                   +0 :              -0.00291084099735
                3s
                   +0 :               0.00044082997109
                2p
                   -1 :              -0.00184112170421
                   +0 :               0.00190510051514
                   +1 :               0.00073356541378
                3p
                   -1 :              -0.00040243027159
                   +0 :              -0.00027936412444
                   +1 :               0.00031963259396
                3d
                   -2 :               0.00008411082072
                   -1 :               0.00018153302111
                   +0 :               0.00001253018974
                   +1 :              -0.00009243257859
                   +2 :               0.00008869258079
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00081506607180
                2s
                   +0 :              -0.00824780051772
                3s
                   +0 :               0.00126304167121
                2p
                   -1 :               0.00348453778726
                   +0 :               0.00886203373547
                   +1 :               0.00428840957516
                3p
                   -1 :              -0.00096002958070
                   +0 :              -0.00168705606641
                   +1 :              -0.00070976193405
                3d
                   -2 :              -0.00021862065093
                   -1 :              -0.00017182983120
                   +0 :              -0.00024202793415
                   +1 :              -0.00032586421418
                   +2 :              -0.00007062835349
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00018194530485
                2s
                   +0 :              -0.00145470609288
                3s
                   +0 :              -0.00002057731098
                2p
                   -1 :              -0.00092104860521
                   +0 :               0.00044964942550
                   +1 :              -0.00177775528252
                3p
                   -1 :               0.00116101755477
                   +0 :               0.00100508307685
                   +1 :              -0.00012767039961
                3d
                   -2 :               0.00001435060700
                   -1 :              -0.00008678934241
                   +0 :              -0.00005881574678
                   +1 :               0.00021437471058
                   +2 :              -0.00006040837724
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00003502651380
                2s
                   +0 :              -0.00047093022376
                3s
                   +0 :               0.00006780305737
                2p
                   -1 :              -0.00067346533433
                   +0 :              -0.00032799243986
                   +1 :              -0.00006861455581
                3p
                   -1 :               0.00052062621611
                   +0 :               0.00013915004311
                   +1 :               0.00029697727856
                3d
                   -2 :              -0.00002275983905
                   -1 :              -0.00003710977178
                   +0 :              -0.00003190812415
                   +1 :              -0.00000553378213
                   +2 :              -0.00002886930550
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001065506171
                2s
                   +0 :              -0.00025395494311
                3s
                   +0 :              -0.00002053363741
                2p
                   -1 :              -0.00016613077189
                   +0 :              -0.00014284346775
                   +1 :              -0.00023498579227
                3p
                   -1 :               0.00006635623223
                   +0 :               0.00026003258709
                   +1 :               0.00007208828159
                3d
                   -2 :              -0.00000207623880
                   -1 :              -0.00001730136127
                   +0 :              -0.00003695904048
                   +1 :               0.00001099931796
                   +2 :              -0.00000246620678
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001524426450
                2s
                   +0 :              -0.00037156249780
                3s
                   +0 :               0.00005929431579
                2p
                   -1 :               0.00042307423487
                   +0 :              -0.00041983180349
                   +1 :              -0.00023495072718
                3p
                   -1 :              -0.00009107550912
                   +0 :               0.00017626370666
                   +1 :               0.00014867337479
                3d
                   -2 :              -0.00001916308088
                   -1 :               0.00001427140967
                   +0 :               0.00003673988865
                   +1 :              -0.00000881942484
                   +2 :               0.00001875662418
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00002240632206
                2s
                   +0 :               0.00008132136573
                3s
                   +0 :              -0.00011022328053
                2p
                   -1 :               0.00019896693600
                   +0 :              -0.00003789501475
                   +1 :              -0.00003639888150
                3p
                   -1 :              -0.00024999975347
                   +0 :               0.00005548590642
                   +1 :              -0.00003494697376
                3d
                   -2 :              -0.00001681204166
                   -1 :               0.00001142849583
                   +0 :               0.00002274717582
                   +1 :               0.00001106146420
                   +2 :               0.00001073681132
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001445544186
                2s
                   +0 :               0.00005286036038
                3s
                   +0 :              -0.00003731237796
                2p
                   -1 :               0.00002368271651
                   +0 :               0.00012806787647
                   +1 :               0.00004708609565
                3p
                   -1 :              -0.00002784870322
                   +0 :              -0.00007927800851
                   +1 :              -0.00007013236277
                3d
                   -2 :               0.00000369523434
                   -1 :              -0.00000917851364
                   +0 :              -0.00000193683034
                   +1 :              -0.00000114655867
                   +2 :               0.00000033059182
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002033668873
                2s
                   +0 :              -0.00020889858855
                3s
                   +0 :               0.00002721024827
                2p
                   -1 :              -0.00013249560611
                   +0 :              -0.00000208990630
                   +1 :               0.00008665724070
                3p
                   -1 :               0.00008801500706
                   +0 :               0.00001750573355
                   +1 :              -0.00001657837540
                3d
                   -2 :              -0.00000211785975
                   -1 :              -0.00000444925994
                   +0 :               0.00000378630886
                   +1 :               0.00000469228925
                   +2 :              -0.00000164804156
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000029576047
                2s
                   +0 :              -0.00002869298154
                3s
                   +0 :              -0.00003694813037
                2p
                   -1 :               0.00009030563110
                   +0 :              -0.00008630843622
                   +1 :               0.00010683238681
                3p
                   -1 :              -0.00005318589205
                   +0 :               0.00006006072779
                   +1 :              -0.00003368734408
                3d
                   -2 :              -0.00000190020906
                   -1 :               0.00000397822471
                   +0 :              -0.00001056170212
                   +1 :              -0.00000134460779
                   +2 :              -0.00000195810453
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000141174755
                2s
                   +0 :               0.00004120575697
                3s
                   +0 :               0.00003587922329
                2p
                   -1 :               0.00001437131286
                   +0 :               0.00015375623885
                   +1 :              -0.00008513454952
                3p
                   -1 :               0.00005756709433
                   +0 :              -0.00016333592454
                   +1 :               0.00009266397510
                3d
                   -2 :              -0.00000764217971
                   -1 :               0.00002268176392
                   +0 :               0.00001117265741
                   +1 :              -0.00002002699534
                   +2 :               0.00002370345202
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00000881535456
                2s
                   +0 :               0.00010950514402
                3s
                   +0 :               0.00000485519541
                2p
                   -1 :               0.00011480924871
                   +0 :              -0.00003488316419
                   +1 :              -0.00019026230078
                3p
                   -1 :              -0.00009585904514
                   +0 :              -0.00000071956232
                   +1 :               0.00012537055642
                3d
                   -2 :              -0.00000713799039
                   -1 :               0.00000160540375
                   +0 :               0.00000249846216
                   +1 :              -0.00000317593910
                   +2 :               0.00000151538963
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000298899550
                2s
                   +0 :               0.00011136993827
                3s
                   +0 :               0.00003935264505
                2p
                   -1 :              -0.00015165943524
                   +0 :               0.00012066465121
                   +1 :               0.00002690487630
                3p
                   -1 :               0.00009671134974
                   +0 :               0.00005172286193
                   +1 :               0.00001076973419
                3d
                   -2 :               0.00000305304377
                   -1 :               0.00000081247712
                   +0 :               0.00000268947297
                   +1 :               0.00000443165820
                   +2 :               0.00000016010130
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00005053003942
                2s
                   +0 :               0.00039566563955
                3s
                   +0 :              -0.00012824816708
                2p
                   -1 :               0.00000437850999
                   +0 :               0.00020700035003
                   +1 :               0.00013028026828
                3p
                   -1 :               0.00004897166438
                   +0 :              -0.00009225161430
                   +1 :              -0.00009156733011
                3d
                   -2 :              -0.00000481650116
                   -1 :               0.00000962772245
                   +0 :              -0.00001015890179
                   +1 :              -0.00000143863943
                   +2 :               0.00000176593351
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000760712810
                2s
                   +0 :               0.00005446590926
                3s
                   +0 :              -0.00000740166302
                2p
                   -1 :              -0.00009814368385
                   +0 :               0.00004546101111
                   +1 :              -0.00006786058891
                3p
                   -1 :               0.00003654868402
                   +0 :               0.00005365877484
                   +1 :               0.00003620899870
                3d
                   -2 :              -0.00000376799872
                   -1 :               0.00000046155655
                   +0 :               0.00000799003763
                   +1 :               0.00000129052686
                   +2 :               0.00000481205991
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 19)  npairs=  14
              1 vec=     2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00008861299060
                2s
                   +0 :               0.00004552674945
                3s
                   +0 :              -0.00037162659027
                2p
                   -1 :               0.00011959717744
                   +0 :              -0.00063483900816
                   +1 :               0.00063238047427
                3p
                   -1 :              -0.00020353278136
                   +0 :               0.00066934169587
                   +1 :              -0.00059299771283
                3d
                   -2 :              -0.00000049794067
                   -1 :               0.00000164718881
                   +0 :               0.00000745739912
                   +1 :               0.00004635925456
                   +2 :              -0.00000111087851
              2 vec=     2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008248052519
                2s
                   +0 :              -0.00009642162196
                3s
                   +0 :               0.00025233593384
                2p
                   -1 :              -0.00002968357224
                   +0 :               0.00006440707225
                   +1 :              -0.00022925944417
                3p
                   -1 :              -0.00008928858255
                   +0 :              -0.00002535636122
                   +1 :               0.00024660885538
                3d
                   -2 :              -0.00003420995680
                   -1 :              -0.00000019824930
                   +0 :              -0.00001682614133
                   +1 :               0.00002359423551
                   +2 :               0.00001091911374
              3 vec=    -5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011581481624
                2s
                   +0 :              -0.00169106604455
                3s
                   +0 :               0.00011105549055
                2p
                   -1 :               0.00045935768096
                   +0 :               0.00116667454694
                   +1 :               0.00026837928344
                3p
                   -1 :               0.00012100192524
                   +0 :              -0.00000357693688
                   +1 :              -0.00015799852098
                3d
                   -2 :               0.00000973029742
                   -1 :              -0.00007949169696
                   +0 :              -0.00002716569627
                   +1 :               0.00000318175951
                   +2 :               0.00004816100034
              4 vec=    -5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00018007016870
                2s
                   +0 :               0.00207057992788
                3s
                   +0 :              -0.00021508089777
                2p
                   -1 :              -0.00057314585047
                   +0 :               0.00100142950713
                   +1 :              -0.00046902010283
                3p
                   -1 :               0.00028875849070
                   +0 :               0.00010827282887
                   +1 :               0.00025453345910
                3d
                   -2 :              -0.00000468145342
                   -1 :              -0.00001358007568
                   +0 :               0.00008492031410
                   +1 :              -0.00001684362920
                   +2 :              -0.00002933709219
              5 vec=    -5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00008636756941
                2s
                   +0 :              -0.00092032639017
                3s
                   +0 :               0.00011068288110
                2p
                   -1 :              -0.00004637038802
                   +0 :               0.00006231675311
                   +1 :               0.00038780631910
                3p
                   -1 :              -0.00004613133426
                   +0 :               0.00026952013794
                   +1 :              -0.00001373778226
                3d
                   -2 :              -0.00000171358808
                   -1 :              -0.00000057999224
                   +0 :              -0.00002816183234
                   +1 :              -0.00003344690833
                   +2 :              -0.00002884437333
              6 vec=    -5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00004495418944
                2s
                   +0 :               0.00055886773388
                3s
                   +0 :              -0.00013905464398
                2p
                   -1 :              -0.00005115085660
                   +0 :               0.00035314977938
                   +1 :              -0.00028949430225
                3p
                   -1 :              -0.00000688383777
                   +0 :              -0.00023103368674
                   +1 :               0.00000187569637
                3d
                   -2 :               0.00000455973700
                   -1 :              -0.00000037544567
                   +0 :              -0.00001827446364
                   +1 :              -0.00002133193450
                   +2 :               0.00000838580101
              7 vec=     2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00003860402616
                2s
                   +0 :              -0.00027170259541
                3s
                   +0 :               0.00008687608440
                2p
                   -1 :               0.00013241851414
                   +0 :               0.00002185674502
                   +1 :              -0.00000656363927
                3p
                   -1 :               0.00003150788104
                   +0 :               0.00001983178440
                   +1 :               0.00010087027811
                3d
                   -2 :              -0.00001612633261
                   -1 :              -0.00000322871521
                   +0 :               0.00001543655195
                   +1 :              -0.00002826334465
                   +2 :               0.00000191150824
              8 vec=     2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001178188857
                2s
                   +0 :              -0.00015682113680
                3s
                   +0 :              -0.00001213179506
                2p
                   -1 :               0.00000289046456
                   +0 :              -0.00013015165368
                   +1 :              -0.00038245636906
                3p
                   -1 :              -0.00003998882904
                   +0 :              -0.00005991727999
                   +1 :               0.00015537402736
                3d
                   -2 :               0.00001246924901
                   -1 :               0.00001714373789
                   +0 :              -0.00002530467269
                   +1 :              -0.00001919609979
                   +2 :               0.00001190339662
              9 vec=     2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002507992621
                2s
                   +0 :              -0.00024000917744
                3s
                   +0 :               0.00005841405306
                2p
                   -1 :              -0.00019462730991
                   +0 :               0.00011024616727
                   +1 :              -0.00004884277517
                3p
                   -1 :               0.00008026190245
                   +0 :              -0.00003743813038
                   +1 :               0.00000634420242
                3d
                   -2 :              -0.00000038756646
                   -1 :              -0.00000173734919
                   +0 :              -0.00001604163674
                   +1 :               0.00000046224551
                   +2 :               0.00000237090217
             10 vec=     2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00002713801589
                2s
                   +0 :               0.00025389569908
                3s
                   +0 :              -0.00002250209460
                2p
                   -1 :               0.00003461845059
                   +0 :               0.00005041311570
                   +1 :               0.00012381110569
                3p
                   -1 :               0.00006463714414
                   +0 :               0.00006051267027
                   +1 :              -0.00006258943451
                3d
                   -2 :               0.00001544627344
                   -1 :               0.00001395732938
                   +0 :               0.00001797914019
                   +1 :               0.00000682795697
                   +2 :              -0.00000283201599
             11 vec=    10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001930654097
                2s
                   +0 :               0.00012955702947
                3s
                   +0 :              -0.00004632564792
                2p
                   -1 :               0.00024105377352
                   +0 :              -0.00009705890077
                   +1 :              -0.00002052286160
                3p
                   -1 :              -0.00015637936307
                   +0 :               0.00010442675251
                   +1 :              -0.00001708742342
                3d
                   -2 :              -0.00001132247417
                   -1 :               0.00001086117735
                   +0 :              -0.00000615952300
                   +1 :               0.00000025434055
                   +2 :              -0.00000441890306
             12 vec=    10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00006904455584
                2s
                   +0 :              -0.00058536425163
                3s
                   +0 :               0.00010775452030
                2p
                   -1 :              -0.00010720882040
                   +0 :               0.00001034011199
                   +1 :              -0.00012201570080
                3p
                   -1 :              -0.00005787039719
                   +0 :              -0.00010957308819
                   +1 :               0.00006164560671
                3d
                   -2 :              -0.00001167871599
                   -1 :              -0.00002423778552
                   +0 :              -0.00000419990949
                   +1 :              -0.00000514245988
                   +2 :               0.00001226743210
             13 vec=    10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001308047486
                2s
                   +0 :               0.00008548830540
                3s
                   +0 :              -0.00002651439922
                2p
                   -1 :              -0.00004144598836
                   +0 :              -0.00007875652663
                   +1 :              -0.00011250147945
                3p
                   -1 :               0.00002748831394
                   +0 :               0.00003212709296
                   +1 :               0.00003698419464
                3d
                   -2 :              -0.00000220873919
                   -1 :              -0.00000866196054
                   +0 :               0.00000232067539
                   +1 :              -0.00000591047711
                   +2 :               0.00000584475327
             14 vec=    10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000542763116
                2s
                   +0 :               0.00011270987699
                3s
                   +0 :               0.00001247955867
                2p
                   -1 :              -0.00003792426055
                   +0 :              -0.00007756292777
                   +1 :               0.00013518474726
                3p
                   -1 :               0.00005106204892
                   +0 :               0.00005308414325
                   +1 :               0.00000105496507
                3d
                   -2 :               0.00001181874059
                   -1 :               0.00000413593082
                   +0 :              -0.00000235628821
                   +1 :               0.00001166556965
                   +2 :               0.00000986648169
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 20)  npairs=  14
              1 vec=    -2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000976413105
                2s
                   +0 :              -0.00062898569027
                3s
                   +0 :              -0.00008995906184
                2p
                   -1 :              -0.00011487264858
                   +0 :               0.00028091794947
                   +1 :              -0.00094798105878
                3p
                   -1 :               0.00015737535209
                   +0 :              -0.00012309593172
                   +1 :               0.00051279307235
                3d
                   -2 :              -0.00003863013206
                   -1 :               0.00000066703511
                   +0 :               0.00002629165239
                   +1 :              -0.00000976194627
                   +2 :              -0.00002810376442
              2 vec=    -2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00010588504216
                2s
                   +0 :              -0.00030279680732
                3s
                   +0 :               0.00042915158285
                2p
                   -1 :              -0.00019507101653
                   +0 :              -0.00072054493125
                   +1 :               0.00083862550536
                3p
                   -1 :               0.00019787340021
                   +0 :               0.00076877888952
                   +1 :              -0.00065959815035
                3d
                   -2 :               0.00000806552691
                   -1 :               0.00000687689844
                   +0 :              -0.00000590020559
                   +1 :              -0.00005084999670
                   +2 :              -0.00000281435108
              3 vec=     5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013403895683
                2s
                   +0 :              -0.00161486719967
                3s
                   +0 :               0.00017976868513
                2p
                   -1 :               0.00060982410543
                   +0 :               0.00106693422563
                   +1 :              -0.00054852674881
                3p
                   -1 :              -0.00026720874472
                   +0 :              -0.00005018469254
                   +1 :               0.00031468778393
                3d
                   -2 :              -0.00000205429152
                   -1 :              -0.00001798510922
                   +0 :              -0.00007782351881
                   +1 :               0.00000488755305
                   +2 :               0.00003153306354
              4 vec=     5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001259180201
                2s
                   +0 :               0.00057817165394
                3s
                   +0 :               0.00002437207634
                2p
                   -1 :              -0.00038079406338
                   +0 :               0.00039538906096
                   +1 :               0.00039308595157
                3p
                   -1 :               0.00002225311285
                   +0 :               0.00017376922949
                   +1 :              -0.00021719656593
                3d
                   -2 :               0.00001390454873
                   -1 :              -0.00004506014760
                   +0 :               0.00003157803768
                   +1 :              -0.00001075898613
                   +2 :              -0.00002054851895
              5 vec=     5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003150703413
                2s
                   +0 :              -0.00041733833164
                3s
                   +0 :               0.00011761276498
                2p
                   -1 :               0.00004109086920
                   +0 :               0.00027477749441
                   +1 :              -0.00022514645085
                3p
                   -1 :               0.00002279933757
                   +0 :              -0.00021207550937
                   +1 :              -0.00006842864350
                3d
                   -2 :              -0.00000045968742
                   -1 :              -0.00000260768227
                   +0 :               0.00002165319489
                   +1 :               0.00002648595569
                   +2 :              -0.00000571123776
              6 vec=     5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00011391011875
                2s
                   +0 :               0.00105736686959
                3s
                   +0 :              -0.00016864049948
                2p
                   -1 :               0.00007048430638
                   +0 :               0.00014903366114
                   +1 :               0.00025721460437
                3p
                   -1 :              -0.00007325473323
                   +0 :               0.00015515297109
                   +1 :               0.00005035353797
                3d
                   -2 :               0.00000156412387
                   -1 :              -0.00000714785885
                   +0 :               0.00002922595743
                   +1 :               0.00002503089620
                   +2 :               0.00002480147228
              7 vec=    -2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00007414244040
                2s
                   +0 :              -0.00080826663558
                3s
                   +0 :               0.00015687187493
                2p
                   -1 :               0.00047202626303
                   +0 :               0.00045547081857
                   +1 :              -0.00044643999238
                3p
                   -1 :              -0.00008471776112
                   +0 :              -0.00022290027532
                   +1 :               0.00015921352376
                3d
                   -2 :               0.00000681388068
                   -1 :              -0.00000904960167
                   +0 :               0.00000884203910
                   +1 :               0.00001137345743
                   +2 :               0.00000582401935
              8 vec=    -2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00009648443264
                2s
                   +0 :               0.00077976061350
                3s
                   +0 :              -0.00016484404955
                2p
                   -1 :              -0.00015520497017
                   +0 :               0.00021680083050
                   +1 :              -0.00000563813438
                3p
                   -1 :              -0.00005347495696
                   +0 :               0.00000304067547
                   +1 :               0.00019009664607
                3d
                   -2 :              -0.00002837305463
                   -1 :              -0.00001556624856
                   +0 :              -0.00000844998989
                   +1 :               0.00003867643219
                   +2 :              -0.00001178246162
              9 vec=    -2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002078587490
                2s
                   +0 :              -0.00017947189908
                3s
                   +0 :               0.00001563730012
                2p
                   -1 :              -0.00005287191167
                   +0 :              -0.00004242284204
                   +1 :               0.00012706136110
                3p
                   -1 :              -0.00005126962669
                   +0 :               0.00010961178730
                   +1 :              -0.00008609164337
                3d
                   -2 :               0.00001461544214
                   -1 :               0.00000977543750
                   +0 :              -0.00002188544747
                   +1 :              -0.00000244939865
                   +2 :               0.00000015547328
             10 vec=    -2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00003020258524
                2s
                   +0 :               0.00031255700338
                3s
                   +0 :              -0.00006858972275
                2p
                   -1 :               0.00026802063648
                   +0 :               0.00016350380904
                   +1 :              -0.00004705551024
                3p
                   -1 :              -0.00011628753273
                   +0 :              -0.00006118944167
                   +1 :              -0.00000762554228
                3d
                   -2 :              -0.00000291531539
                   -1 :              -0.00000466157244
                   +0 :               0.00001555195130
                   +1 :              -0.00000119744461
                   +2 :              -0.00000236398569
             11 vec=   -10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000600414195
                2s
                   +0 :              -0.00012819175838
                3s
                   +0 :               0.00000162518109
                2p
                   -1 :               0.00010194857615
                   +0 :               0.00012477877287
                   +1 :               0.00011524332067
                3p
                   -1 :              -0.00003170094759
                   +0 :              -0.00003694363853
                   +1 :              -0.00001716279273
                3d
                   -2 :               0.00000210515328
                   -1 :               0.00000320983822
                   +0 :               0.00000379974826
                   +1 :              -0.00000124983744
                   +2 :               0.00000000105757
             12 vec=   -10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001481302594
                2s
                   +0 :               0.00022938351733
                3s
                   +0 :              -0.00002633612981
                2p
                   -1 :              -0.00017755878910
                   +0 :               0.00000690758187
                   +1 :              -0.00013850213721
                3p
                   -1 :               0.00013977386147
                   +0 :               0.00006980476494
                   +1 :               0.00003244702357
                3d
                   -2 :              -0.00001280826359
                   -1 :               0.00001335283029
                   +0 :               0.00000744446862
                   +1 :              -0.00000095334992
                   +2 :               0.00000854509325
             13 vec=   -10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001265010942
                2s
                   +0 :              -0.00022107843603
                3s
                   +0 :              -0.00001888688458
                2p
                   -1 :              -0.00011328244462
                   +0 :              -0.00010992762851
                   +1 :               0.00009148012859
                3p
                   -1 :              -0.00001045376498
                   +0 :               0.00010452663048
                   +1 :               0.00003487313060
                3d
                   -2 :               0.00001190804498
                   -1 :               0.00000418623920
                   +0 :              -0.00000243497136
                   +1 :              -0.00001430851104
                   +2 :              -0.00000261108652
             14 vec=   -10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001199899910
                2s
                   +0 :               0.00017003113479
                3s
                   +0 :              -0.00001949089877
                2p
                   -1 :               0.00012130810687
                   +0 :               0.00004255782051
                   +1 :              -0.00016909322740
                3p
                   -1 :              -0.00005644364108
                   +0 :              -0.00001228766950
                   +1 :               0.00005569167113
                3d
                   -2 :              -0.00000481923952
                   -1 :              -0.00000806372594
                   +0 :              -0.00000065220006
                   +1 :               0.00000382077008
                   +2 :              -0.00000402378126
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 21)  npairs=  18
              1 vec=     0.000000     -3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00004954643255
                2s
                   +0 :              -0.00000300827903
                3s
                   +0 :              -0.00014519513183
                2p
                   -1 :              -0.00034790890476
                   +0 :               0.00020733103054
                   +1 :               0.00000377368497
                3p
                   -1 :               0.00033943020776
                   +0 :              -0.00018737716062
                   +1 :              -0.00004800883618
                3d
                   -2 :              -0.00003238458695
                   -1 :              -0.00003178158253
                   +0 :               0.00003045024761
                   +1 :              -0.00001880711299
                   +2 :               0.00003407215570
              2 vec=     0.000000     -3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006933745254
                2s
                   +0 :              -0.00028294508015
                3s
                   +0 :               0.00019078773103
                2p
                   -1 :               0.00029233961934
                   +0 :              -0.00016666138497
                   +1 :               0.00035826002867
                3p
                   -1 :              -0.00038751353561
                   +0 :               0.00000204284470
                   +1 :              -0.00009129959311
                3d
                   -2 :              -0.00000546046496
                   -1 :              -0.00005474275765
                   +0 :              -0.00002035477670
                   +1 :               0.00004891432260
                   +2 :              -0.00002447021985
              3 vec=     0.000000      5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00014753459390
                2s
                   +0 :              -0.00168493065675
                3s
                   +0 :               0.00023377598982
                2p
                   -1 :              -0.00002220607202
                   +0 :               0.00091172208615
                   +1 :               0.00002853810900
                3p
                   -1 :              -0.00013534122256
                   +0 :               0.00000840303066
                   +1 :              -0.00018446359131
                3d
                   -2 :               0.00000073862606
                   -1 :               0.00001409739283
                   +0 :              -0.00000451155644
                   +1 :               0.00003929228107
                   +2 :              -0.00003497439595
              4 vec=     0.000000      5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00014694001700
                2s
                   +0 :               0.00168433321464
                3s
                   +0 :              -0.00021234007824
                2p
                   -1 :              -0.00018022527857
                   +0 :               0.00086821364309
                   +1 :               0.00020571770857
                3p
                   -1 :               0.00022224328465
                   +0 :               0.00000647481966
                   +1 :              -0.00021768730027
                3d
                   -2 :               0.00000181411657
                   -1 :               0.00002081836629
                   +0 :               0.00000075500941
                   +1 :              -0.00003138099049
                   +2 :               0.00003443236068
              5 vec=    -7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00015127038185
                2s
                   +0 :              -0.00212397082642
                3s
                   +0 :               0.00023289279381
                2p
                   -1 :              -0.00053679433984
                   +0 :               0.00136061668563
                   +1 :               0.00075444652250
                3p
                   -1 :               0.00000033777460
                   +0 :              -0.00016949155297
                   +1 :              -0.00009569078411
                3d
                   -2 :               0.00005744345809
                   -1 :               0.00004667778948
                   +0 :              -0.00003698227886
                   +1 :              -0.00004430554122
                   +2 :              -0.00001420200813
              6 vec=    -7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00007310056441
                2s
                   +0 :               0.00076404224939
                3s
                   +0 :              -0.00015493173309
                2p
                   -1 :               0.00054929495687
                   +0 :               0.00036263545811
                   +1 :              -0.00014672397466
                3p
                   -1 :              -0.00018350137835
                   +0 :              -0.00004974313257
                   +1 :              -0.00005953747776
                3d
                   -2 :              -0.00002335668178
                   -1 :               0.00001707955523
                   +0 :              -0.00001630768029
                   +1 :              -0.00002940389996
                   +2 :               0.00000431584629
              7 vec=     7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004594842147
                2s
                   +0 :              -0.00047970328019
                3s
                   +0 :               0.00009749652228
                2p
                   -1 :              -0.00045605757647
                   +0 :               0.00025786922243
                   +1 :              -0.00014101168836
                3p
                   -1 :               0.00014372553959
                   +0 :              -0.00001199587764
                   +1 :              -0.00005358470033
                3d
                   -2 :              -0.00002030418640
                   -1 :               0.00001796438977
                   +0 :               0.00001298881115
                   +1 :               0.00002074666832
                   +2 :              -0.00000496284251
              8 vec=     7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004403704666
                2s
                   +0 :               0.00074190345210
                3s
                   +0 :              -0.00011019000673
                2p
                   -1 :               0.00034690561057
                   +0 :               0.00070217113250
                   +1 :               0.00011546478797
                3p
                   -1 :               0.00000393226154
                   +0 :              -0.00014623261165
                   +1 :               0.00011454708772
                3d
                   -2 :               0.00004526115020
                   -1 :               0.00002626580442
                   +0 :               0.00001223494189
                   +1 :               0.00001747485313
                   +2 :              -0.00000135052981
              9 vec=    -7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001991810927
                2s
                   +0 :              -0.00017592165428
                3s
                   +0 :               0.00006434684896
                2p
                   -1 :               0.00010641302542
                   +0 :               0.00003155900655
                   +1 :               0.00010168122210
                3p
                   -1 :               0.00001753998955
                   +0 :              -0.00002808783219
                   +1 :              -0.00000676470548
                3d
                   -2 :              -0.00000073524417
                   -1 :              -0.00000029955500
                   +0 :               0.00000168338374
                   +1 :               0.00000503509728
                   +2 :               0.00000124015416
             10 vec=    -7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002048898179
                2s
                   +0 :               0.00024451653936
                3s
                   +0 :              -0.00001916050267
                2p
                   -1 :               0.00002683467182
                   +0 :               0.00008051336232
                   +1 :              -0.00012645469696
                3p
                   -1 :              -0.00011419191274
                   +0 :              -0.00000846339565
                   +1 :               0.00004504579813
                3d
                   -2 :               0.00001096347646
                   -1 :              -0.00001119773571
                   +0 :               0.00000197793780
                   +1 :               0.00000168827165
                   +2 :              -0.00000575306408
             11 vec=     7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001358166624
                2s
                   +0 :               0.00010479115950
                3s
                   +0 :              -0.00002724768816
                2p
                   -1 :              -0.00012915999401
                   +0 :              -0.00005134593689
                   +1 :              -0.00015884198886
                3p
                   -1 :               0.00016976655584
                   +0 :               0.00002674925263
                   +1 :               0.00009538760487
                3d
                   -2 :               0.00000993175857
                   -1 :              -0.00001334302799
                   +0 :               0.00000032407349
                   +1 :              -0.00000892062693
                   +2 :               0.00000950135461
             12 vec=     7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00006466110627
                2s
                   +0 :              -0.00055827651924
                3s
                   +0 :               0.00006869987594
                2p
                   -1 :               0.00004703371177
                   +0 :               0.00016348446386
                   +1 :               0.00014882787110
                3p
                   -1 :               0.00005063398936
                   +0 :              -0.00024318015105
                   +1 :              -0.00001176397000
                3d
                   -2 :              -0.00000790254713
                   -1 :               0.00001698751460
                   +0 :              -0.00001996979108
                   +1 :               0.00000756895270
                   +2 :               0.00000539282172
             13 vec=     0.000000    -12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000487556491
                2s
                   +0 :              -0.00002819348914
                3s
                   +0 :               0.00003099221450
                2p
                   -1 :               0.00012625084278
                   +0 :               0.00005530402530
                   +1 :               0.00000560892327
                3p
                   -1 :              -0.00005270807957
                   +0 :              -0.00006765215715
                   +1 :              -0.00003038437922
                3d
                   -2 :               0.00000474762797
                   -1 :               0.00000518594345
                   +0 :               0.00000137594897
                   +1 :              -0.00000002575226
                   +2 :               0.00000300678549
             14 vec=     0.000000    -12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002242583030
                2s
                   +0 :               0.00019367523719
                3s
                   +0 :              -0.00005905437079
                2p
                   -1 :              -0.00011970726392
                   +0 :               0.00008554819174
                   +1 :               0.00013345888869
                3p
                   -1 :               0.00004908313344
                   +0 :              -0.00003188014744
                   +1 :              -0.00006201386331
                3d
                   -2 :              -0.00000090646752
                   -1 :               0.00000280994731
                   +0 :               0.00000484953282
                   +1 :              -0.00000240997622
                   +2 :              -0.00000469622422
             15 vec=    -7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002504531339
                2s
                   +0 :              -0.00023048427698
                3s
                   +0 :               0.00006222800622
                2p
                   -1 :              -0.00020397302646
                   +0 :               0.00004336536023
                   +1 :               0.00004091905886
                3p
                   -1 :               0.00010769604890
                   +0 :              -0.00003931359328
                   +1 :              -0.00004397002359
                3d
                   -2 :               0.00000010858341
                   -1 :              -0.00000669604560
                   +0 :               0.00000538034010
                   +1 :               0.00000246622220
                   +2 :              -0.00000144063333
             16 vec=    -7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000640893858
                2s
                   +0 :               0.00007344454648
                3s
                   +0 :              -0.00002543139799
                2p
                   -1 :              -0.00001622446330
                   +0 :               0.00000335049519
                   +1 :              -0.00007398029400
                3p
                   -1 :               0.00003004559018
                   +0 :              -0.00000632921438
                   +1 :               0.00007467270937
                3d
                   -2 :               0.00000856334834
                   -1 :              -0.00000289345862
                   +0 :               0.00000480706175
                   +1 :               0.00000865877605
                   +2 :              -0.00000576408931
             17 vec=     7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000943646575
                2s
                   +0 :              -0.00008848086239
                3s
                   +0 :               0.00003968537916
                2p
                   -1 :               0.00001453750900
                   +0 :               0.00003017068547
                   +1 :              -0.00008876055168
                3p
                   -1 :              -0.00002201634643
                   +0 :              -0.00002240747485
                   +1 :               0.00008389045947
                3d
                   -2 :               0.00000899867619
                   -1 :              -0.00000388103553
                   +0 :              -0.00000430176902
                   +1 :              -0.00001051475344
                   +2 :               0.00000594952354
             18 vec=     7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002982167885
                2s
                   +0 :               0.00027539550612
                3s
                   +0 :              -0.00008235682676
                2p
                   -1 :               0.00019544014143
                   +0 :               0.00010803775205
                   +1 :               0.00007927159051
                3p
                   -1 :              -0.00010769279453
                   +0 :              -0.00007392633919
                   +1 :              -0.00005351271054
                3d
                   -2 :               0.00000303351457
                   -1 :              -0.00000551869824
                   +0 :              -0.00000306868251
                   +1 :              -0.00000104310605
                   +2 :              -0.00000028064943
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 22)  npairs=  12
              1 vec=    -2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00015707927899
                2s
                   +0 :               0.00261556235915
                3s
                   +0 :              -0.00043145201748
                2p
                   -1 :              -0.00350035526580
                   +0 :              -0.01420288777405
                   +1 :               0.00339143263660
                3p
                   -1 :               0.00288019847186
                   +0 :              -0.00298854558421
                   +1 :              -0.00276041593475
                3d
                   -2 :              -0.00034484685697
                   -1 :              -0.00191111232843
                   +0 :               0.00016067768520
                   +1 :               0.00100757523982
                   +2 :              -0.00003620800900
              2 vec=    -2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00144186996145
                2s
                   +0 :               0.00851017453323
                3s
                   +0 :              -0.00359275924428
                2p
                   -1 :              -0.00981327286892
                   +0 :              -0.00704179288971
                   +1 :               0.00004130577090
                3p
                   -1 :               0.00641212754797
                   +0 :               0.00093984971794
                   +1 :               0.00014840062591
                3d
                   -2 :               0.00008808078172
                   -1 :               0.00096332504852
                   +0 :               0.00043853702132
                   +1 :               0.00015407611894
                   +2 :               0.00038082403991
              3 vec=     5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00110345672765
                2s
                   +0 :              -0.00829264464188
                3s
                   +0 :               0.00399329568454
                2p
                   -1 :              -0.00097903172510
                   +0 :               0.00460357192404
                   +1 :              -0.00680491620972
                3p
                   -1 :              -0.00130004078741
                   +0 :              -0.00482569921425
                   +1 :               0.00434058844905
                3d
                   -2 :               0.00046314707070
                   -1 :               0.00028438009225
                   +0 :              -0.00042690282373
                   +1 :              -0.00079006147618
                   +2 :               0.00167752164683
              4 vec=   -10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00005013469222
                2s
                   +0 :               0.00002076665516
                3s
                   +0 :               0.00022023307413
                2p
                   -1 :              -0.00035483528921
                   +0 :               0.00034404521806
                   +1 :              -0.00097487158502
                3p
                   -1 :               0.00017195396014
                   +0 :              -0.00078047570087
                   +1 :               0.00052784814155
                3d
                   -2 :               0.00010309110738
                   -1 :               0.00003978415513
                   +0 :               0.00011018451935
                   +1 :               0.00010426109730
                   +2 :              -0.00002248230887
              5 vec=     5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00005825803558
                2s
                   +0 :               0.00010505202282
                3s
                   +0 :              -0.00029966536738
                2p
                   -1 :              -0.00087488664566
                   +0 :              -0.00069703500019
                   +1 :              -0.00007438322565
                3p
                   -1 :               0.00028092167904
                   +0 :               0.00008272192716
                   +1 :              -0.00016860370782
                3d
                   -2 :              -0.00010852116265
                   -1 :               0.00004888166153
                   +0 :               0.00003983596906
                   +1 :               0.00004964330812
                   +2 :              -0.00007548638253
              6 vec=     5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00043590803075
                2s
                   +0 :               0.00363984084163
                3s
                   +0 :              -0.00069916889287
                2p
                   -1 :              -0.00202880066528
                   +0 :               0.00150766602641
                   +1 :               0.00043604261588
                3p
                   -1 :               0.00055369826662
                   +0 :              -0.00151976293116
                   +1 :               0.00013573341910
                3d
                   -2 :              -0.00004416503061
                   -1 :               0.00007677410703
                   +0 :              -0.00011105786313
                   +1 :               0.00000001184075
                   +2 :              -0.00007428517398
              7 vec=   -10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00003250077156
                2s
                   +0 :               0.00018669916556
                3s
                   +0 :              -0.00018124333814
                2p
                   -1 :               0.00028726602785
                   +0 :              -0.00039149629553
                   +1 :              -0.00036316243350
                3p
                   -1 :              -0.00032000266742
                   +0 :               0.00019682334520
                   +1 :               0.00036655183138
                3d
                   -2 :               0.00001965873461
                   -1 :               0.00000175366869
                   +0 :               0.00000155987391
                   +1 :              -0.00001036413874
                   +2 :              -0.00000941716621
              8 vec=    -2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00003846934056
                2s
                   +0 :              -0.00039238247696
                3s
                   +0 :               0.00006587207146
                2p
                   -1 :              -0.00044147283661
                   +0 :              -0.00019879329195
                   +1 :               0.00048125898082
                3p
                   -1 :               0.00024121727708
                   +0 :               0.00003558813398
                   +1 :              -0.00024761254410
                3d
                   -2 :               0.00000225938357
                   -1 :              -0.00000267753106
                   +0 :               0.00003037488860
                   +1 :              -0.00001624102737
                   +2 :               0.00000773358388
              9 vec=   -10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000604453460
                2s
                   +0 :              -0.00000115746503
                3s
                   +0 :               0.00006801997994
                2p
                   -1 :               0.00033077079253
                   +0 :               0.00010294221157
                   +1 :              -0.00018314634756
                3p
                   -1 :              -0.00025205319273
                   +0 :              -0.00015666782129
                   +1 :               0.00006843779858
                3d
                   -2 :               0.00001382128778
                   -1 :               0.00001191124720
                   +0 :              -0.00002928607481
                   +1 :               0.00001081948825
                   +2 :               0.00000477345727
             10 vec=    13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000862634607
                2s
                   +0 :              -0.00005454859188
                3s
                   +0 :               0.00003985635061
                2p
                   -1 :               0.00001290065513
                   +0 :               0.00005531323802
                   +1 :              -0.00020955142809
                3p
                   -1 :               0.00009674566936
                   +0 :              -0.00004170671971
                   +1 :              -0.00000195981834
                3d
                   -2 :              -0.00000245639280
                   -1 :               0.00001566763217
                   +0 :              -0.00000577649255
                   +1 :               0.00002049031339
                   +2 :              -0.00004300271764
             11 vec=    -2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00004161655433
                2s
                   +0 :               0.00036843108609
                3s
                   +0 :              -0.00005663819150
                2p
                   -1 :              -0.00008892087682
                   +0 :               0.00002191855431
                   +1 :              -0.00013096933533
                3p
                   -1 :               0.00003372141109
                   +0 :              -0.00006809399132
                   +1 :               0.00010477761877
                3d
                   -2 :              -0.00000883597956
                   -1 :               0.00000056580203
                   +0 :              -0.00000512936200
                   +1 :              -0.00000440909796
                   +2 :              -0.00000820366814
             12 vec=    13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00002584475207
                2s
                   +0 :               0.00017674995925
                3s
                   +0 :              -0.00009570738201
                2p
                   -1 :              -0.00032169704007
                   +0 :               0.00003518568401
                   +1 :              -0.00007797718409
                3p
                   -1 :               0.00007618730707
                   +0 :              -0.00003632521523
                   +1 :              -0.00005739563010
                3d
                   -2 :              -0.00000213320103
                   -1 :               0.00000143846864
                   +0 :               0.00001779427468
                   +1 :               0.00001424228344
                   +2 :              -0.00003107332383
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 23)  npairs=  12
              1 vec=     2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00005783290117
                2s
                   +0 :              -0.00002034897737
                3s
                   +0 :               0.00032552762677
                2p
                   -1 :              -0.00100614073555
                   +0 :              -0.01420195175006
                   +1 :               0.00219681413625
                3p
                   -1 :              -0.00139651087007
                   +0 :              -0.00281141809114
                   +1 :              -0.00263408177356
                3d
                   -2 :              -0.00022802836556
                   -1 :              -0.00157841414268
                   +0 :              -0.00008759885473
                   +1 :              -0.00118071925643
                   +2 :              -0.00017933696062
              2 vec=    -5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00158798852861
                2s
                   +0 :               0.01006101550374
                3s
                   +0 :              -0.00481041622935
                2p
                   -1 :               0.00141376783747
                   +0 :              -0.00038989402759
                   +1 :              -0.00562829916688
                3p
                   -1 :              -0.00106257341390
                   +0 :              -0.00491881558695
                   +1 :               0.00410518639143
                3d
                   -2 :               0.00008876245339
                   -1 :              -0.00004630809262
                   +0 :               0.00041282648819
                   +1 :               0.00070068111876
                   +2 :              -0.00023570735789
              3 vec=     2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00052089352159
                2s
                   +0 :              -0.00327449911979
                3s
                   +0 :               0.00225771466947
                2p
                   -1 :               0.00453902587411
                   +0 :              -0.00476809050750
                   +1 :               0.00388547504699
                3p
                   -1 :              -0.00232649237894
                   +0 :               0.00307044664005
                   +1 :              -0.00107338181592
                3d
                   -2 :              -0.00087761560055
                   -1 :               0.00069700832194
                   +0 :              -0.00056172505871
                   +1 :              -0.00072552631522
                   +2 :              -0.00126461524082
              4 vec=    -5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00008779905249
                2s
                   +0 :              -0.00055222009394
                3s
                   +0 :               0.00024763065008
                2p
                   -1 :               0.00097733971492
                   +0 :              -0.00028312863836
                   +1 :               0.00089767254926
                3p
                   -1 :              -0.00075861565987
                   +0 :              -0.00023820996416
                   +1 :              -0.00066065324612
                3d
                   -2 :               0.00007866100059
                   -1 :               0.00000661661177
                   +0 :              -0.00004328037351
                   +1 :              -0.00002030686352
                   +2 :               0.00002294757060
              5 vec=    10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00056525481403
                2s
                   +0 :               0.00462492313586
                3s
                   +0 :              -0.00131574840555
                2p
                   -1 :               0.00139669948905
                   +0 :               0.00040746960192
                   +1 :               0.00117396597069
                3p
                   -1 :              -0.00080259634957
                   +0 :              -0.00068841164092
                   +1 :              -0.00003221987174
                3d
                   -2 :               0.00003994432557
                   -1 :               0.00003865998863
                   +0 :              -0.00021101497473
                   +1 :              -0.00009199959065
                   +2 :               0.00016763426462
              6 vec=    -5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00001070910367
                2s
                   +0 :               0.00036230983831
                3s
                   +0 :               0.00000485764262
                2p
                   -1 :              -0.00008345877221
                   +0 :              -0.00043286928207
                   +1 :               0.00026079705981
                3p
                   -1 :               0.00016423107237
                   +0 :               0.00008005076980
                   +1 :              -0.00039080138119
                3d
                   -2 :               0.00007253215402
                   -1 :              -0.00005697519628
                   +0 :              -0.00001016395526
                   +1 :               0.00000907508461
                   +2 :               0.00006384737643
              7 vec=     2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00002230731698
                2s
                   +0 :               0.00008775916921
                3s
                   +0 :              -0.00007550272650
                2p
                   -1 :               0.00014557574190
                   +0 :              -0.00062332815991
                   +1 :              -0.00013806497526
                3p
                   -1 :              -0.00007899289700
                   +0 :               0.00038786969402
                   +1 :               0.00003965212687
                3d
                   -2 :              -0.00000773818026
                   -1 :               0.00001117732658
                   +0 :              -0.00000726533719
                   +1 :               0.00002306167611
                   +2 :               0.00000662060964
              8 vec=    10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00002205844502
                2s
                   +0 :              -0.00012166327192
                3s
                   +0 :               0.00003743654603
                2p
                   -1 :              -0.00001785280448
                   +0 :              -0.00017279801226
                   +1 :              -0.00015630439553
                3p
                   -1 :              -0.00005113139882
                   +0 :               0.00002000797485
                   +1 :               0.00003230541742
                3d
                   -2 :               0.00000407598697
                   -1 :               0.00001173404593
                   +0 :               0.00002096903830
                   +1 :               0.00000287997142
                   +2 :               0.00000381905313
              9 vec=   -13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000142598685
                2s
                   +0 :              -0.00007164337087
                3s
                   +0 :              -0.00000537764161
                2p
                   -1 :               0.00019369452469
                   +0 :              -0.00006123649854
                   +1 :               0.00003593435900
                3p
                   -1 :              -0.00018323770863
                   +0 :              -0.00003260480430
                   +1 :               0.00004217900439
                3d
                   -2 :              -0.00000236375958
                   -1 :               0.00001055900330
                   +0 :               0.00000554854081
                   +1 :              -0.00000537927868
                   +2 :               0.00000238038504
             10 vec=    10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000322520633
                2s
                   +0 :               0.00009843868706
                3s
                   +0 :               0.00005021887166
                2p
                   -1 :               0.00050593560743
                   +0 :               0.00034539866425
                   +1 :               0.00013122724574
                3p
                   -1 :              -0.00025420859423
                   +0 :              -0.00025113236498
                   +1 :               0.00011540770162
                3d
                   -2 :              -0.00002288617462
                   -1 :              -0.00001160615810
                   +0 :              -0.00000219507490
                   +1 :              -0.00000748052933
                   +2 :               0.00001714415486
             11 vec=   -13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00004162472728
                2s
                   +0 :              -0.00029308051254
                3s
                   +0 :               0.00014029173717
                2p
                   -1 :              -0.00011368043739
                   +0 :               0.00000101886520
                   +1 :               0.00023107341907
                3p
                   -1 :               0.00010706131943
                   +0 :              -0.00004608684299
                   +1 :              -0.00011911956320
                3d
                   -2 :              -0.00001074176352
                   -1 :              -0.00000819266703
                   +0 :              -0.00001558931434
                   +1 :               0.00000548279711
                   +2 :               0.00000538447199
             12 vec=     2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00004030045923
                2s
                   +0 :               0.00031305241665
                3s
                   +0 :              -0.00012540652627
                2p
                   -1 :              -0.00006353800388
                   +0 :              -0.00009584218136
                   +1 :              -0.00004653699571
                3p
                   -1 :               0.00009789293640
                   +0 :               0.00007109081235
                   +1 :              -0.00001362822787
                3d
                   -2 :               0.00000151680568
                   -1 :              -0.00002915699168
                   +0 :               0.00000165866130
                   +1 :               0.00000916514625
                   +2 :               0.00003852264157
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 24)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00332769923578
                2s
                   +0 :              -0.04406579901628
                3s
                   +0 :               0.00739080734670
                2p
                   -1 :              -0.00802590338984
                   +0 :               0.89397578114216
                   +1 :              -0.01790932647004
                3p
                   -1 :               0.00330112970796
                   +0 :              -0.04326946370498
                   +1 :               0.00541339666122
                3d
                   -2 :              -0.00164629770758
                   -1 :               0.00627241810794
                   +0 :              -0.00126884088192
                   +1 :              -0.00216818032358
                   +2 :              -0.00032112753060
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00015329501023
                2s
                   +0 :               0.00099026618193
                3s
                   +0 :              -0.00089352438361
                2p
                   -1 :              -0.00048325998433
                   +0 :               0.00126020972777
                   +1 :              -0.00074164922129
                3p
                   -1 :               0.00067358887653
                   +0 :              -0.00114621814486
                   +1 :               0.00107195379887
                3d
                   -2 :              -0.00016873235849
                   -1 :               0.00012769468038
                   +0 :               0.00008124719933
                   +1 :               0.00010542220179
                   +2 :              -0.00007752221311
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00005181471214
                2s
                   +0 :               0.00008016807031
                3s
                   +0 :              -0.00030814739462
                2p
                   -1 :               0.00021142687469
                   +0 :              -0.00069254922540
                   +1 :              -0.00035097220646
                3p
                   -1 :              -0.00018213350219
                   +0 :               0.00096634788035
                   +1 :               0.00041301760752
                3d
                   -2 :               0.00022017834287
                   -1 :               0.00012268458361
                   +0 :               0.00000335839892
                   +1 :              -0.00027471328279
                   +2 :              -0.00009905481571
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00002205642633
                2s
                   +0 :              -0.00000180056710
                3s
                   +0 :               0.00029368041345
                2p
                   -1 :               0.00114548542155
                   +0 :               0.00044286983185
                   +1 :               0.00047417426557
                3p
                   -1 :              -0.00047685063427
                   +0 :              -0.00032564623793
                   +1 :              -0.00055809262324
                3d
                   -2 :               0.00001717198902
                   -1 :              -0.00006221894626
                   +0 :               0.00000736414391
                   +1 :              -0.00000712101337
                   +2 :               0.00013184514793
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00017808068474
                2s
                   +0 :              -0.00115936911318
                3s
                   +0 :               0.00033193605397
                2p
                   -1 :              -0.00074910120936
                   +0 :              -0.00061760248922
                   +1 :              -0.00130964855128
                3p
                   -1 :               0.00013726780493
                   +0 :               0.00070377220556
                   +1 :               0.00106992742482
                3d
                   -2 :               0.00016374596144
                   -1 :               0.00021487923857
                   +0 :               0.00004335693018
                   +1 :               0.00002249192181
                   +2 :               0.00008338660374
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00032624970652
                2s
                   +0 :              -0.00181689976280
                3s
                   +0 :               0.00075564907858
                2p
                   -1 :              -0.00064996634503
                   +0 :               0.00192748216834
                   +1 :              -0.00328210653901
                3p
                   -1 :               0.00131991416594
                   +0 :              -0.00073756508852
                   +1 :               0.00071504061691
                3d
                   -2 :               0.00013744274472
                   -1 :               0.00001937608489
                   +0 :               0.00014787566869
                   +1 :               0.00018617224711
                   +2 :              -0.00017936018424
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00001796185373
                2s
                   +0 :              -0.00038650460554
                3s
                   +0 :              -0.00013826991777
                2p
                   -1 :              -0.00078406818246
                   +0 :               0.00014713792479
                   +1 :              -0.00027266378166
                3p
                   -1 :               0.00041394417868
                   +0 :              -0.00000040772480
                   +1 :              -0.00045594866741
                3d
                   -2 :              -0.00001675815891
                   -1 :               0.00000270721020
                   +0 :              -0.00002889222333
                   +1 :               0.00012855499839
                   +2 :              -0.00001523715526
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000996172161
                2s
                   +0 :               0.00003758816848
                3s
                   +0 :              -0.00003074941994
                2p
                   -1 :               0.00000663643947
                   +0 :              -0.00017865669179
                   +1 :               0.00006078091675
                3p
                   -1 :               0.00001373393094
                   +0 :               0.00004321484116
                   +1 :              -0.00004726303064
                3d
                   -2 :               0.00001365405903
                   -1 :               0.00000311964858
                   +0 :              -0.00000303217657
                   +1 :              -0.00000776581820
                   +2 :               0.00000792066707
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001748651888
                2s
                   +0 :               0.00015511219739
                3s
                   +0 :              -0.00005201690622
                2p
                   -1 :              -0.00005127457400
                   +0 :              -0.00001541089490
                   +1 :              -0.00004240971022
                3p
                   -1 :               0.00005542199163
                   +0 :              -0.00002634639733
                   +1 :               0.00003102820684
                3d
                   -2 :               0.00000130177765
                   -1 :               0.00000252928768
                   +0 :              -0.00000181813133
                   +1 :               0.00000293537644
                   +2 :               0.00000121788930
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000840168392
                2s
                   +0 :              -0.00001893317961
                3s
                   +0 :              -0.00003485007077
                2p
                   -1 :              -0.00013718289849
                   +0 :              -0.00003039855213
                   +1 :               0.00005735891734
                3p
                   -1 :               0.00008605162363
                   +0 :              -0.00002828855110
                   +1 :              -0.00002824892355
                3d
                   -2 :               0.00001003930734
                   -1 :               0.00000209930369
                   +0 :               0.00000775326916
                   +1 :              -0.00000623675659
                   +2 :              -0.00000025077600
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008107434184
                2s
                   +0 :               0.00079844936825
                3s
                   +0 :              -0.00018958238863
                2p
                   -1 :              -0.00073946521879
                   +0 :               0.00010396254329
                   +1 :               0.00031453039587
                3p
                   -1 :               0.00032762076214
                   +0 :              -0.00011429126418
                   +1 :              -0.00004515238461
                3d
                   -2 :              -0.00002265086467
                   -1 :               0.00001889086759
                   +0 :              -0.00001354243664
                   +1 :              -0.00001817513848
                   +2 :               0.00000445872274
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002498611795
                2s
                   +0 :              -0.00023344286848
                3s
                   +0 :               0.00001960823240
                2p
                   -1 :               0.00000195203540
                   +0 :              -0.00018209689101
                   +1 :              -0.00012744743749
                3p
                   -1 :              -0.00014864284789
                   +0 :               0.00012002704541
                   +1 :               0.00001067469560
                3d
                   -2 :              -0.00001236837096
                   -1 :               0.00000580888507
                   +0 :               0.00002107567518
                   +1 :               0.00001699233720
                   +2 :               0.00000115312319
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004042416683
                2s
                   +0 :               0.00049028287632
                3s
                   +0 :              -0.00002950482575
                2p
                   -1 :               0.00010847706270
                   +0 :              -0.00005502880487
                   +1 :               0.00066294988788
                3p
                   -1 :              -0.00002257574829
                   +0 :              -0.00003250043654
                   +1 :              -0.00021052269336
                3d
                   -2 :              -0.00000205343921
                   -1 :               0.00000211020134
                   +0 :              -0.00000921283549
                   +1 :              -0.00000531734928
                   +2 :               0.00001751997363
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000320928143
                2s
                   +0 :              -0.00001655019545
                3s
                   +0 :               0.00001323611476
                2p
                   -1 :               0.00009611128695
                   +0 :              -0.00000437644292
                   +1 :               0.00002468801357
                3p
                   -1 :              -0.00007018519439
                   +0 :              -0.00001498673961
                   +1 :              -0.00002051359418
                3d
                   -2 :               0.00000359836061
                   -1 :               0.00000018836349
                   +0 :               0.00000251619210
                   +1 :              -0.00000080959990
                   +2 :              -0.00000229274253
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001797716017
                2s
                   +0 :              -0.00014395547273
                3s
                   +0 :               0.00004507477120
                2p
                   -1 :              -0.00008815362516
                   +0 :               0.00003604344862
                   +1 :               0.00005786203959
                3p
                   -1 :               0.00005527663523
                   +0 :              -0.00005336620466
                   +1 :              -0.00002911623768
                3d
                   -2 :              -0.00000570847424
                   -1 :               0.00000125730405
                   +0 :              -0.00000438956198
                   +1 :               0.00000829281132
                   +2 :               0.00000046197545
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000715084944
                2s
                   +0 :               0.00009567132353
                3s
                   +0 :              -0.00001374047075
                2p
                   -1 :              -0.00005772528657
                   +0 :              -0.00000911613559
                   +1 :               0.00000553494319
                3p
                   -1 :               0.00003398296078
                   +0 :              -0.00000787930684
                   +1 :               0.00001238004715
                3d
                   -2 :              -0.00000302646117
                   -1 :               0.00000306869255
                   +0 :               0.00000206166484
                   +1 :              -0.00000079399033
                   +2 :               0.00000180489577
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001188337840
                2s
                   +0 :              -0.00008173250202
                3s
                   +0 :               0.00002713715600
                2p
                   -1 :               0.00002782692532
                   +0 :              -0.00002745684867
                   +1 :              -0.00003951597754
                3p
                   -1 :              -0.00005439284359
                   +0 :               0.00000153484778
                   +1 :               0.00000582344509
                3d
                   -2 :              -0.00000327843239
                   -1 :               0.00000118597830
                   +0 :               0.00000028519777
                   +1 :               0.00000075678502
                   +2 :               0.00000332298158
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000937709255
                2s
                   +0 :               0.00012252830734
                3s
                   +0 :              -0.00000336153560
                2p
                   -1 :              -0.00005657869957
                   +0 :              -0.00001067970233
                   +1 :               0.00008949009177
                3p
                   -1 :               0.00003666057039
                   +0 :              -0.00000303922427
                   +1 :              -0.00001493122412
                3d
                   -2 :              -0.00000244678327
                   -1 :               0.00000236306619
                   +0 :               0.00000142405365
                   +1 :              -0.00000232984460
                   +2 :               0.00000192093242
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000063052396
                2s
                   +0 :               0.00001733764557
                3s
                   +0 :               0.00000124456725
                2p
                   -1 :               0.00000069869146
                   +0 :              -0.00002654757780
                   +1 :              -0.00001322272823
                3p
                   -1 :               0.00000311239865
                   +0 :               0.00001254826224
                   +1 :               0.00000427197718
                3d
                   -2 :              -0.00000085624440
                   -1 :              -0.00000034232066
                   +0 :               0.00000159524353
                   +1 :              -0.00000028551377
                   +2 :               0.00000090006572
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 25)  npairs=  14
              1 vec=    -0.209805     -3.115717     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00224466661109
                2s
                   +0 :              -0.05121192030768
                3s
                   +0 :               0.00352996153104
                2p
                   -1 :               0.02414200066426
                   +0 :               0.02503227136856
                   +1 :               0.00486446587263
                3p
                   -1 :              -0.00131686589819
                   +0 :              -0.00132050662156
                   +1 :              -0.00368463358203
                3d
                   -2 :              -0.00044373126953
                   -1 :              -0.00273177645293
                   +0 :              -0.00069235115897
                   +1 :              -0.00059341600880
                   +2 :               0.00132291634352
              2 vec=    -0.209805      5.868041     -4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00223156357077
                2s
                   +0 :              -0.01612337515161
                3s
                   +0 :               0.00744426183280
                2p
                   -1 :              -0.01573524053627
                   +0 :               0.00553180490315
                   +1 :               0.00188839214384
                3p
                   -1 :               0.01114932304822
                   +0 :              -0.00436128697676
                   +1 :              -0.00117826801111
                3d
                   -2 :              -0.00007297549267
                   -1 :              -0.00055556352589
                   +0 :              -0.00038091604010
                   +1 :               0.00000654150903
                   +2 :              -0.00073164469085
              3 vec=     7.570358      1.376162     -4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00004039513256
                2s
                   +0 :              -0.00069220722068
                3s
                   +0 :              -0.00031053337532
                2p
                   -1 :               0.00212569298510
                   +0 :              -0.00295461044282
                   +1 :              -0.00563173712759
                3p
                   -1 :              -0.00095545049719
                   +0 :               0.00106613671762
                   +1 :               0.00149202890110
                3d
                   -2 :              -0.00000733672465
                   -1 :              -0.00004806586383
                   +0 :               0.00012464534860
                   +1 :              -0.00002708917455
                   +2 :              -0.00017468640260
              4 vec=    -7.989968      1.376162     -4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00021658602717
                2s
                   +0 :              -0.00197194183431
                3s
                   +0 :               0.00016728168889
                2p
                   -1 :               0.00150492887338
                   +0 :              -0.00215520522649
                   +1 :               0.00260882719294
                3p
                   -1 :              -0.00091597622600
                   +0 :               0.00063711649377
                   +1 :               0.00051215268827
                3d
                   -2 :               0.00008035751805
                   -1 :              -0.00002117181886
                   +0 :               0.00014945337880
                   +1 :               0.00004257084286
                   +2 :              -0.00023411146266
              5 vec=     7.570358     -7.607596     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00001610327404
                2s
                   +0 :               0.00021187065832
                3s
                   +0 :               0.00010875589304
                2p
                   -1 :               0.00051312414281
                   +0 :              -0.00071080659548
                   +1 :               0.00065121808459
                3p
                   -1 :              -0.00067131288244
                   +0 :               0.00036639867538
                   +1 :              -0.00048768335120
                3d
                   -2 :              -0.00008935015439
                   -1 :               0.00006849176562
                   +0 :              -0.00004470535145
                   +1 :               0.00000432324196
                   +2 :              -0.00008372816635
              6 vec=    -7.989968     -7.607596     -4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00004917543272
                2s
                   +0 :              -0.00037270939812
                3s
                   +0 :               0.00016500080087
                2p
                   -1 :               0.00014562108274
                   +0 :              -0.00031710736399
                   +1 :               0.00089377242697
                3p
                   -1 :              -0.00015264668263
                   +0 :               0.00017465996506
                   +1 :              -0.00082669684933
                3d
                   -2 :               0.00007210819426
                   -1 :              -0.00000717745443
                   +0 :              -0.00003469999868
                   +1 :               0.00001081541859
                   +2 :              -0.00000438267798
              7 vec=    -0.209805    -12.099475     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00003796796965
                2s
                   +0 :               0.00025273002941
                3s
                   +0 :              -0.00006609314735
                2p
                   -1 :              -0.00017905115487
                   +0 :               0.00017697369958
                   +1 :              -0.00007207442904
                3p
                   -1 :               0.00014198292637
                   +0 :              -0.00005964885902
                   +1 :               0.00000677660502
                3d
                   -2 :              -0.00001104791318
                   -1 :               0.00001598322400
                   +0 :              -0.00000531313521
                   +1 :              -0.00002650083777
                   +2 :              -0.00002930071302
              8 vec=     7.570358     10.359920     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00004167950357
                2s
                   +0 :              -0.00051671931363
                3s
                   +0 :               0.00002157128447
                2p
                   -1 :               0.00000812107652
                   +0 :               0.00023372313995
                   +1 :              -0.00028021476489
                3p
                   -1 :              -0.00022096654177
                   +0 :              -0.00015222225029
                   +1 :               0.00004558125751
                3d
                   -2 :              -0.00003992536879
                   -1 :              -0.00000912181654
                   +0 :               0.00001940943723
                   +1 :              -0.00000588789029
                   +2 :               0.00001062359629
              9 vec=    -7.989968     10.359920     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00004010481797
                2s
                   +0 :              -0.00043781130898
                3s
                   +0 :               0.00004592263350
                2p
                   -1 :              -0.00002473850075
                   +0 :              -0.00015605961441
                   +1 :               0.00015023994182
                3p
                   -1 :              -0.00006282174240
                   +0 :               0.00014081789660
                   +1 :               0.00000441928427
                3d
                   -2 :              -0.00000247422875
                   -1 :               0.00000761655628
                   +0 :               0.00000270248977
                   +1 :              -0.00000202978587
                   +2 :              -0.00000943810060
             10 vec=    -0.209805     14.851799     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00002631788485
                2s
                   +0 :              -0.00021281172786
                3s
                   +0 :               0.00002585985615
                2p
                   -1 :              -0.00021291481872
                   +0 :               0.00007466126126
                   +1 :               0.00009189145085
                3p
                   -1 :               0.00005444432101
                   +0 :              -0.00008290587132
                   +1 :              -0.00008957505657
                3d
                   -2 :               0.00000143367310
                   -1 :              -0.00000876226260
                   +0 :               0.00001631827930
                   +1 :               0.00000971038082
                   +2 :               0.00001579853289
             11 vec=    15.350520     -3.115717     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000843412362
                2s
                   +0 :               0.00003188537866
                3s
                   +0 :               0.00002157700481
                2p
                   -1 :               0.00001620263648
                   +0 :              -0.00004459138818
                   +1 :               0.00004059048869
                3p
                   -1 :               0.00000273044140
                   +0 :               0.00002847343855
                   +1 :               0.00002355051708
                3d
                   -2 :               0.00000394399611
                   -1 :               0.00000330033069
                   +0 :               0.00000063345627
                   +1 :               0.00000730209364
                   +2 :               0.00001357301740
             12 vec=   -15.770130     -3.115717     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00001672719814
                2s
                   +0 :               0.00007275667299
                3s
                   +0 :              -0.00006640729927
                2p
                   -1 :               0.00006476143410
                   +0 :               0.00002479578849
                   +1 :              -0.00009513198303
                3p
                   -1 :              -0.00001490764337
                   +0 :              -0.00004176046181
                   +1 :               0.00009171367700
                3d
                   -2 :              -0.00000174390294
                   -1 :               0.00000036978794
                   +0 :               0.00000726753747
                   +1 :              -0.00000144388160
                   +2 :              -0.00000119998221
             13 vec=    15.350520      5.868041     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00001370690476
                2s
                   +0 :              -0.00007127636358
                3s
                   +0 :               0.00004650108409
                2p
                   -1 :               0.00001029022157
                   +0 :              -0.00002443911345
                   +1 :               0.00002656175273
                3p
                   -1 :              -0.00002427091389
                   +0 :               0.00003437943705
                   +1 :              -0.00000390050999
                3d
                   -2 :              -0.00000205442946
                   -1 :               0.00000478843509
                   +0 :              -0.00000520027594
                   +1 :               0.00000067166641
                   +2 :              -0.00000110356949
             14 vec=   -15.770130      5.868041     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00001898631359
                2s
                   +0 :              -0.00016210234117
                3s
                   +0 :               0.00003634981584
                2p
                   -1 :              -0.00009863218369
                   +0 :               0.00003145396563
                   +1 :               0.00004830443833
                3p
                   -1 :               0.00003313491758
                   +0 :              -0.00005480018989
                   +1 :              -0.00002617609351
                3d
                   -2 :              -0.00000168633805
                   -1 :              -0.00000150742545
                   +0 :              -0.00000082400674
                   +1 :               0.00000271313338
                   +2 :               0.00000457880475
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 26)  npairs=  14
              1 vec=     2.803193      1.376162     -4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00226112695943
                2s
                   +0 :              -0.05941237510674
                3s
                   +0 :               0.00360470188718
                2p
                   -1 :              -0.01267544186582
                   +0 :               0.02441521005118
                   +1 :              -0.02364610532000
                3p
                   -1 :               0.00340258420086
                   +0 :               0.00134889584873
                   +1 :              -0.00169387543693
                3d
                   -2 :              -0.00088437481785
                   -1 :               0.00170249979150
                   +0 :              -0.00123771262125
                   +1 :               0.00243971010959
                   +2 :              -0.00084176569822
              2 vec=    -4.976970     -3.115717     -4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00015745089359
                2s
                   +0 :               0.00184490414448
                3s
                   +0 :              -0.00072342256790
                2p
                   -1 :              -0.00085859561769
                   +0 :               0.00130389804615
                   +1 :               0.00024258346689
                3p
                   -1 :               0.00151248203335
                   +0 :              -0.00114383453222
                   +1 :               0.00046872655558
                3d
                   -2 :               0.00004488776703
                   -1 :               0.00004139100239
                   +0 :               0.00028964297066
                   +1 :               0.00021782639601
                   +2 :               0.00009496461621
              3 vec=    -4.976970      5.868041     -4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00027293240076
                2s
                   +0 :               0.00238614344629
                3s
                   +0 :              -0.00112314166343
                2p
                   -1 :              -0.00121725731146
                   +0 :              -0.00378744529945
                   +1 :              -0.00254621143471
                3p
                   -1 :              -0.00009614105304
                   +0 :               0.00106310049963
                   +1 :               0.00121949127972
                3d
                   -2 :               0.00003251521186
                   -1 :              -0.00021591375886
                   +0 :               0.00010333085988
                   +1 :              -0.00005543618274
                   +2 :               0.00011432109891
              4 vec=     2.803193     -7.607596     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00020059984747
                2s
                   +0 :               0.00149201659059
                3s
                   +0 :              -0.00062360116296
                2p
                   -1 :               0.00255826887211
                   +0 :              -0.00153092173671
                   +1 :              -0.00213588539711
                3p
                   -1 :              -0.00139205796422
                   +0 :               0.00008299985897
                   +1 :               0.00014084805381
                3d
                   -2 :               0.00017805615095
                   -1 :               0.00010784077172
                   +0 :               0.00008829522511
                   +1 :              -0.00005224193310
                   +2 :              -0.00010841240317
              5 vec=     2.803193     10.359920     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00023681147432
                2s
                   +0 :               0.00122217110456
                3s
                   +0 :              -0.00082712883206
                2p
                   -1 :               0.00071590173100
                   +0 :               0.00062916807412
                   +1 :               0.00064843523110
                3p
                   -1 :              -0.00076505166905
                   +0 :              -0.00057169793360
                   +1 :              -0.00066109933823
                3d
                   -2 :              -0.00007652724120
                   -1 :              -0.00001535580874
                   +0 :               0.00002935672774
                   +1 :              -0.00002504673811
                   +2 :              -0.00000081772035
              6 vec=    10.583355     -3.115717     -4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00004725666879
                2s
                   +0 :               0.00045175531928
                3s
                   +0 :              -0.00021766397188
                2p
                   -1 :               0.00001183050549
                   +0 :              -0.00067219298276
                   +1 :               0.00025952386872
                3p
                   -1 :              -0.00000615197417
                   +0 :               0.00044991510432
                   +1 :              -0.00019005143712
                3d
                   -2 :               0.00000557572948
                   -1 :               0.00000922748784
                   +0 :              -0.00001595474727
                   +1 :               0.00000540012255
                   +2 :               0.00002128846819
              7 vec=    10.583355      5.868041     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00004464583485
                2s
                   +0 :               0.00017345988742
                3s
                   +0 :              -0.00019211436742
                2p
                   -1 :              -0.00002017351096
                   +0 :              -0.00010833013288
                   +1 :               0.00052144072523
                3p
                   -1 :              -0.00012035832216
                   +0 :               0.00023296157092
                   +1 :              -0.00038519202767
                3d
                   -2 :               0.00000715966211
                   -1 :               0.00003002983555
                   +0 :               0.00002823185902
                   +1 :               0.00000549727879
                   +2 :              -0.00000010596727
              8 vec=   -12.757133      1.376162     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00009784271520
                2s
                   +0 :              -0.00114450415058
                3s
                   +0 :               0.00018961214493
                2p
                   -1 :               0.00011609377781
                   +0 :              -0.00012173134170
                   +1 :               0.00104578916816
                3p
                   -1 :              -0.00012282716489
                   +0 :               0.00012806763894
                   +1 :              -0.00030267604799
                3d
                   -2 :               0.00003575344443
                   -1 :              -0.00000312818254
                   +0 :               0.00001611324369
                   +1 :              -0.00002677204409
                   +2 :              -0.00003642470536
              9 vec=    -4.976970    -12.099475     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00001414585488
                2s
                   +0 :              -0.00029427861009
                3s
                   +0 :               0.00000429063970
                2p
                   -1 :               0.00049769101284
                   +0 :               0.00022082295636
                   +1 :               0.00020496193862
                3p
                   -1 :              -0.00015415822948
                   +0 :              -0.00022726243148
                   +1 :              -0.00005253395477
                3d
                   -2 :              -0.00001250897803
                   -1 :               0.00003345278313
                   +0 :               0.00001518749997
                   +1 :               0.00000783697195
                   +2 :               0.00001885138226
             10 vec=   -12.757133     -7.607596     -4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00004382926519
                2s
                   +0 :               0.00022606573915
                3s
                   +0 :              -0.00012354114694
                2p
                   -1 :              -0.00005137058310
                   +0 :               0.00001550380094
                   +1 :              -0.00010872010797
                3p
                   -1 :               0.00006529086465
                   +0 :              -0.00002945344581
                   +1 :               0.00011786524395
                3d
                   -2 :              -0.00001192987761
                   -1 :              -0.00000242906966
                   +0 :               0.00000208959597
                   +1 :               0.00000092446210
                   +2 :              -0.00000483545996
             11 vec=    -4.976970     14.851799     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000139377022
                2s
                   +0 :              -0.00007841222345
                3s
                   +0 :              -0.00005928973679
                2p
                   -1 :               0.00007990438707
                   +0 :              -0.00002799546320
                   +1 :              -0.00018487174787
                3p
                   -1 :              -0.00016929127588
                   +0 :               0.00003360735070
                   +1 :               0.00021461464648
                3d
                   -2 :               0.00002616932870
                   -1 :               0.00000638387422
                   +0 :               0.00000374974309
                   +1 :              -0.00000833547541
                   +2 :               0.00000543222448
             12 vec=    10.583355    -12.099475     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00001503835880
                2s
                   +0 :               0.00016991125680
                3s
                   +0 :              -0.00003858193380
                2p
                   -1 :              -0.00003409470781
                   +0 :              -0.00005257885137
                   +1 :               0.00019207629740
                3p
                   -1 :              -0.00000053212711
                   +0 :               0.00004758012656
                   +1 :              -0.00010966731628
                3d
                   -2 :               0.00000086338242
                   -1 :              -0.00000826871919
                   +0 :              -0.00000246968617
                   +1 :               0.00000121009916
                   +2 :              -0.00000402391910
             13 vec=   -12.757133     10.359920     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00002821986662
                2s
                   +0 :              -0.00024691837315
                3s
                   +0 :               0.00007490827144
                2p
                   -1 :               0.00000218599239
                   +0 :               0.00003835660090
                   +1 :               0.00016472846973
                3p
                   -1 :              -0.00003796517612
                   +0 :              -0.00004896563658
                   +1 :              -0.00008783641892
                3d
                   -2 :               0.00000163772772
                   -1 :              -0.00000177686571
                   +0 :               0.00000690759734
                   +1 :               0.00000742593154
                   +2 :               0.00000620751163
             14 vec=     2.803193    -16.591354     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00000527263026
                2s
                   +0 :              -0.00001072173834
                3s
                   +0 :               0.00001643706869
                2p
                   -1 :               0.00000597852939
                   +0 :               0.00004503602534
                   +1 :               0.00005206796555
                3p
                   -1 :               0.00000200677219
                   +0 :              -0.00001328298722
                   +1 :              -0.00003037486823
                3d
                   -2 :              -0.00000317053209
                   -1 :              -0.00000158806397
                   +0 :              -0.00000422998895
                   +1 :               0.00000249882790
                   +2 :               0.00000402124564
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 27)  npairs=  14
              1 vec=    -2.593388      1.012769     -4.091257   |vec|=    4.948711
                1s
                   +0 :               0.00345399997882
                2s
                   +0 :              -0.08984526635157
                3s
                   +0 :               0.00580772360672
                2p
                   -1 :              -0.01255286516014
                   +0 :               0.04790481431730
                   +1 :               0.03789293652225
                3p
                   -1 :               0.00219825503260
                   +0 :              -0.00594561588426
                   +1 :              -0.00464169270879
                3d
                   -2 :               0.00141360969307
                   -1 :               0.00063302375825
                   +0 :              -0.00133404399822
                   +1 :              -0.00176008236859
                   +2 :              -0.00187810908525
              2 vec=     5.186775     -3.479110     -4.091257   |vec|=    7.466273
                1s
                   +0 :               0.00023318418418
                2s
                   +0 :              -0.00092280466006
                3s
                   +0 :               0.00151514242980
                2p
                   -1 :              -0.00099992649861
                   +0 :               0.00193388545972
                   +1 :              -0.00250746249245
                3p
                   -1 :               0.00108058296755
                   +0 :              -0.00180418469954
                   +1 :               0.00186024965375
                3d
                   -2 :              -0.00026433781172
                   -1 :               0.00003575931178
                   +0 :              -0.00024706127702
                   +1 :              -0.00029317624568
                   +2 :               0.00013636109175
              3 vec=     5.186775      5.504648     -4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00022735490504
                2s
                   +0 :              -0.00099153666566
                3s
                   +0 :               0.00087125768995
                2p
                   -1 :              -0.00306175838142
                   +0 :              -0.00316972713864
                   +1 :              -0.00117513117060
                3p
                   -1 :               0.00092610220890
                   +0 :               0.00039865803753
                   +1 :               0.00191561489190
                3d
                   -2 :               0.00006077392691
                   -1 :              -0.00020042488818
                   +0 :               0.00002024024380
                   +1 :              -0.00024916109264
                   +2 :               0.00023533001923
              4 vec=    -2.593388     -7.970989     -4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00022988543077
                2s
                   +0 :              -0.00151039120117
                3s
                   +0 :               0.00061557687347
                2p
                   -1 :               0.00247810230501
                   +0 :               0.00005942455323
                   +1 :               0.00116042376487
                3p
                   -1 :              -0.00099332985553
                   +0 :              -0.00105655377463
                   +1 :               0.00005534871149
                3d
                   -2 :              -0.00008141646864
                   -1 :               0.00014540156531
                   +0 :               0.00002998525541
                   +1 :               0.00004133384814
                   +2 :               0.00000960634831
              5 vec=    -2.593388      9.996527     -4.091257   |vec|=   11.108312
                1s
                   +0 :              -0.00018898254677
                2s
                   +0 :               0.00068122684472
                3s
                   +0 :              -0.00049545568930
                2p
                   -1 :              -0.00070767343354
                   +0 :               0.00087904030810
                   +1 :               0.00099445581919
                3p
                   -1 :               0.00047737999020
                   +0 :              -0.00098761107358
                   +1 :              -0.00085443672913
                3d
                   -2 :              -0.00010514889645
                   -1 :              -0.00003719222467
                   +0 :              -0.00007129755307
                   +1 :               0.00004573834035
                   +2 :              -0.00004836149464
              6 vec=   -10.373550     -3.479110     -4.091257   |vec|=   11.681316
                1s
                   +0 :               0.00003768695304
                2s
                   +0 :              -0.00024323003218
                3s
                   +0 :              -0.00001681567888
                2p
                   -1 :               0.00067377864626
                   +0 :              -0.00004798671480
                   +1 :               0.00027797044085
                3p
                   -1 :              -0.00053076355651
                   +0 :              -0.00005197971753
                   +1 :              -0.00037100383685
                3d
                   -2 :              -0.00000339278199
                   -1 :              -0.00000684758991
                   +0 :               0.00000283711702
                   +1 :              -0.00003436797626
                   +2 :               0.00002694377382
              7 vec=   -10.373550      5.504648     -4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00011740780684
                2s
                   +0 :              -0.00104611325807
                3s
                   +0 :               0.00031218825703
                2p
                   -1 :              -0.00066185402285
                   +0 :               0.00056698109936
                   +1 :               0.00008338131601
                3p
                   -1 :               0.00029409088059
                   +0 :              -0.00023121575600
                   +1 :              -0.00008837653926
                3d
                   -2 :               0.00001781687687
                   -1 :              -0.00001548596031
                   +0 :              -0.00001376541816
                   +1 :               0.00001712652781
                   +2 :               0.00000419216935
              8 vec=    12.966938      1.012769     -4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00003442272245
                2s
                   +0 :               0.00010034319306
                3s
                   +0 :              -0.00020204135248
                2p
                   -1 :               0.00038760336236
                   +0 :              -0.00039938841031
                   +1 :              -0.00027552128214
                3p
                   -1 :              -0.00017256715811
                   +0 :               0.00014638521819
                   +1 :              -0.00029431543269
                3d
                   -2 :              -0.00001276706221
                   -1 :              -0.00000094528208
                   +0 :               0.00004326697997
                   +1 :               0.00001489142820
                   +2 :              -0.00006997445240
              9 vec=     5.186775    -12.462868     -4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00005910779024
                2s
                   +0 :               0.00037675083668
                3s
                   +0 :              -0.00018284467688
                2p
                   -1 :              -0.00012058883912
                   +0 :              -0.00022312995869
                   +1 :              -0.00026832730920
                3p
                   -1 :               0.00023696235703
                   +0 :               0.00010408641440
                   +1 :               0.00008077070818
                3d
                   -2 :               0.00002369166919
                   -1 :              -0.00000873268152
                   +0 :               0.00002747807506
                   +1 :               0.00001190587712
                   +2 :               0.00003283753712
             10 vec=    12.966938     -7.970989     -4.091257   |vec|=   15.761235
                1s
                   +0 :              -0.00002003559039
                2s
                   +0 :               0.00014692278104
                3s
                   +0 :              -0.00004289065026
                2p
                   -1 :              -0.00005725390918
                   +0 :              -0.00000363852016
                   +1 :              -0.00003997875923
                3p
                   -1 :               0.00010352789565
                   +0 :               0.00000425705103
                   +1 :               0.00001413455193
                3d
                   -2 :               0.00000257049282
                   -1 :              -0.00000042396483
                   +0 :              -0.00000098591393
                   +1 :               0.00000230821123
                   +2 :               0.00000794567670
             11 vec=     5.186775     14.488406     -4.091257   |vec|=   15.923408
                1s
                   +0 :               0.00005700708669
                2s
                   +0 :              -0.00037681161756
                3s
                   +0 :               0.00013829397315
                2p
                   -1 :              -0.00015917892366
                   +0 :               0.00021147572320
                   +1 :               0.00002639107268
                3p
                   -1 :               0.00005700033788
                   +0 :              -0.00018646507290
                   +1 :              -0.00005376960739
                3d
                   -2 :              -0.00000426939498
                   -1 :              -0.00002393432723
                   +0 :               0.00000919605618
                   +1 :              -0.00000312270855
                   +2 :              -0.00000041995392
             12 vec=   -10.373550    -12.462868     -4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00002519405870
                2s
                   +0 :               0.00017263197329
                3s
                   +0 :              -0.00008317475589
                2p
                   -1 :              -0.00006854494808
                   +0 :              -0.00008032264847
                   +1 :               0.00000860810254
                3p
                   -1 :               0.00005681956201
                   +0 :               0.00004980093759
                   +1 :              -0.00000430977848
                3d
                   -2 :              -0.00000462570554
                   -1 :              -0.00000039388052
                   +0 :               0.00000150923190
                   +1 :              -0.00000338011591
                   +2 :               0.00000673611032
             13 vec=    12.966938      9.996527     -4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00000650840802
                2s
                   +0 :              -0.00003577023004
                3s
                   +0 :               0.00001483824494
                2p
                   -1 :              -0.00005525958009
                   +0 :              -0.00008041118258
                   +1 :               0.00000429662201
                3p
                   -1 :               0.00004090606029
                   +0 :               0.00004807337042
                   +1 :              -0.00004237042900
                3d
                   -2 :              -0.00000737771642
                   -1 :               0.00000774544696
                   +0 :               0.00000076574516
                   +1 :               0.00000303334260
                   +2 :              -0.00000802074424
             14 vec=    -2.593388    -16.954747     -4.091257   |vec|=   17.633136
                1s
                   +0 :              -0.00000797076034
                2s
                   +0 :               0.00009315348995
                3s
                   +0 :              -0.00001136105531
                2p
                   -1 :              -0.00001565068000
                   +0 :              -0.00003832067724
                   +1 :              -0.00007194276622
                3p
                   -1 :               0.00000782441918
                   +0 :               0.00001867827119
                   +1 :               0.00003273127431
                3d
                   -2 :               0.00000409188091
                   -1 :               0.00000124607411
                   +0 :              -0.00000036833415
                   +1 :              -0.00000204673130
                   +2 :               0.00000071830928
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 28)  npairs=  15
              1 vec=     2.802674      4.128785      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00044505970213
                2s
                   +0 :               0.00346994002513
                3s
                   +0 :              -0.00047805968704
                2p
                   -1 :               0.00070681260860
                   +0 :               0.00305515809335
                   +1 :               0.00051527370280
                3p
                   -1 :               0.00121667621470
                   +0 :              -0.00025635173048
                   +1 :              -0.00064674494230
                3d
                   -2 :               0.00000420245578
                   -1 :               0.00037886340380
                   +0 :               0.00021569609100
                   +1 :              -0.00012334118044
                   +2 :              -0.00016702426187
              2 vec=    -4.977489     -0.363094      8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00036859048058
                2s
                   +0 :               0.00416468545792
                3s
                   +0 :              -0.00026552229704
                2p
                   -1 :              -0.00425537651414
                   +0 :               0.00396819994779
                   +1 :              -0.00100795855495
                3p
                   -1 :               0.00143361267917
                   +0 :              -0.00040027920603
                   +1 :              -0.00060423710261
                3d
                   -2 :               0.00006689117103
                   -1 :              -0.00003507987556
                   +0 :               0.00003653555922
                   +1 :              -0.00012720994023
                   +2 :              -0.00005999065458
              3 vec=     2.802674     -4.854973      8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00022414270203
                2s
                   +0 :              -0.00226880773156
                3s
                   +0 :               0.00086088910539
                2p
                   -1 :               0.00040501120932
                   +0 :              -0.00084611413879
                   +1 :               0.00335677936509
                3p
                   -1 :              -0.00046860887700
                   +0 :               0.00147266683985
                   +1 :              -0.00047055551319
                3d
                   -2 :              -0.00012316311611
                   -1 :               0.00015611617155
                   +0 :               0.00005935171910
                   +1 :               0.00024480654924
                   +2 :              -0.00004335813926
              4 vec=    -4.977489      8.620664      8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00011319737850
                2s
                   +0 :               0.00102192347739
                3s
                   +0 :              -0.00042699167734
                2p
                   -1 :               0.00064368606074
                   +0 :              -0.00027360140076
                   +1 :              -0.00043231405561
                3p
                   -1 :              -0.00052844304807
                   +0 :               0.00001772267404
                   +1 :               0.00011633004544
                3d
                   -2 :               0.00000851155031
                   -1 :              -0.00006844580085
                   +0 :               0.00000196188031
                   +1 :               0.00001028972074
                   +2 :               0.00003613163548
              5 vec=    10.582837     -0.363094      8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00000985904078
                2s
                   +0 :               0.00023584663409
                3s
                   +0 :              -0.00000799436478
                2p
                   -1 :              -0.00037919583734
                   +0 :               0.00005963524101
                   +1 :               0.00004014823670
                3p
                   -1 :               0.00019509206178
                   +0 :              -0.00006511370559
                   +1 :               0.00009430066081
                3d
                   -2 :              -0.00000402260055
                   -1 :               0.00000028100632
                   +0 :              -0.00001807832789
                   +1 :              -0.00001155988992
                   +2 :               0.00001582031013
              6 vec=    -4.977489     -9.346852      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00004969636044
                2s
                   +0 :               0.00058350130063
                3s
                   +0 :              -0.00006313140345
                2p
                   -1 :              -0.00027033742130
                   +0 :              -0.00017283919581
                   +1 :               0.00011903614402
                3p
                   -1 :               0.00004520369756
                   +0 :               0.00017004781421
                   +1 :              -0.00010931561393
                3d
                   -2 :               0.00000461030108
                   -1 :               0.00000969108498
                   +0 :               0.00003027875464
                   +1 :               0.00001396431261
                   +2 :               0.00002239874220
              7 vec=     2.802674     13.112543      8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00000995620953
                2s
                   +0 :               0.00023645483901
                3s
                   +0 :               0.00008350068826
                2p
                   -1 :              -0.00001384217284
                   +0 :               0.00002238176268
                   +1 :               0.00003349295004
                3p
                   -1 :               0.00020592566385
                   +0 :               0.00013804368703
                   +1 :               0.00002963776700
                3d
                   -2 :               0.00002100992082
                   -1 :               0.00002786953469
                   +0 :               0.00000767967471
                   +1 :               0.00000767041148
                   +2 :              -0.00000143866382
              8 vec=   -12.757651      4.128785      8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00001299366889
                2s
                   +0 :               0.00016019994905
                3s
                   +0 :              -0.00002544089531
                2p
                   -1 :               0.00004905499362
                   +0 :               0.00005771618922
                   +1 :              -0.00022783933597
                3p
                   -1 :              -0.00001081976806
                   +0 :              -0.00003269647181
                   +1 :               0.00008985694844
                3d
                   -2 :               0.00000352251522
                   -1 :               0.00000841387402
                   +0 :              -0.00000737729330
                   +1 :              -0.00000050452006
                   +2 :              -0.00000223934690
              9 vec=    10.582837      8.620664      8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00000774148773
                2s
                   +0 :               0.00005846951466
                3s
                   +0 :              -0.00001995415383
                2p
                   -1 :              -0.00007913997446
                   +0 :              -0.00006460368275
                   +1 :               0.00010714075227
                3p
                   -1 :               0.00003184298390
                   +0 :               0.00005409059915
                   +1 :              -0.00007960712870
                3d
                   -2 :              -0.00000275642067
                   -1 :              -0.00000267985760
                   +0 :               0.00000390054872
                   +1 :               0.00000200645116
                   +2 :               0.00000178500398
             10 vec=   -12.757651     -4.854973      8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00000990758910
                2s
                   +0 :               0.00001585796678
                3s
                   +0 :               0.00007989639487
                2p
                   -1 :               0.00001126281882
                   +0 :               0.00007244815990
                   +1 :              -0.00005904374487
                3p
                   -1 :              -0.00000360627285
                   +0 :              -0.00005634397124
                   +1 :              -0.00003319638776
                3d
                   -2 :               0.00000151998192
                   -1 :              -0.00000085026804
                   +0 :               0.00000342917985
                   +1 :               0.00001188501434
                   +2 :               0.00000780031941
             11 vec=    10.582837     -9.346852      8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00003236396528
                2s
                   +0 :              -0.00031841876325
                3s
                   +0 :               0.00005655986604
                2p
                   -1 :               0.00021929110953
                   +0 :              -0.00002897283253
                   +1 :              -0.00004900808347
                3p
                   -1 :              -0.00004706272679
                   +0 :               0.00015203711795
                   +1 :               0.00003702454843
                3d
                   -2 :               0.00000806515136
                   -1 :              -0.00000921479437
                   +0 :               0.00001261783810
                   +1 :               0.00000095951068
                   +2 :               0.00000625434490
             12 vec=     2.802674    -13.838731      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00002000474860
                2s
                   +0 :               0.00020447845081
                3s
                   +0 :              -0.00002872683234
                2p
                   -1 :              -0.00007387499734
                   +0 :               0.00008005305192
                   +1 :              -0.00006370778905
                3p
                   -1 :              -0.00000143740506
                   +0 :               0.00001433863054
                   +1 :               0.00007546172826
                3d
                   -2 :              -0.00000079673463
                   -1 :              -0.00000721940711
                   +0 :              -0.00000077895374
                   +1 :              -0.00000276917336
                   +2 :              -0.00000326799086
             13 vec=     2.802674      4.128785    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00004401407452
                2s
                   +0 :              -0.00034465321494
                3s
                   +0 :               0.00010126604245
                2p
                   -1 :              -0.00013751214991
                   +0 :               0.00031196729693
                   +1 :              -0.00018220413047
                3p
                   -1 :               0.00011118728977
                   +0 :              -0.00014732074698
                   +1 :               0.00007602100544
                3d
                   -2 :              -0.00000197296940
                   -1 :              -0.00000538682516
                   +0 :              -0.00000013522389
                   +1 :               0.00000330438109
                   +2 :              -0.00000310800456
             14 vec=    -4.977489     -0.363094    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00003336715566
                2s
                   +0 :              -0.00030669912560
                3s
                   +0 :               0.00006817874434
                2p
                   -1 :              -0.00009353989583
                   +0 :               0.00026359132462
                   +1 :              -0.00011349436898
                3p
                   -1 :               0.00004433583532
                   +0 :              -0.00010838293460
                   +1 :               0.00003596743198
                3d
                   -2 :               0.00000435115905
                   -1 :               0.00000033264428
                   +0 :               0.00000790078981
                   +1 :               0.00000917161337
                   +2 :               0.00000493590522
             15 vec=     2.802674     -4.854973    -16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000458909463
                2s
                   +0 :              -0.00006928106336
                3s
                   +0 :              -0.00001250436093
                2p
                   -1 :               0.00003011012659
                   +0 :               0.00012979945015
                   +1 :               0.00003766738143
                3p
                   -1 :               0.00003207931157
                   +0 :              -0.00000747543119
                   +1 :               0.00001623399308
                3d
                   -2 :              -0.00000351444045
                   -1 :              -0.00000864605731
                   +0 :              -0.00000273131106
                   +1 :              -0.00000420143229
                   +2 :              -0.00000492394153
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 29)  npairs=  14
              1 vec=    -0.209286     -0.363094      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00034373925137
                2s
                   +0 :               0.00129028004705
                3s
                   +0 :              -0.00107376890863
                2p
                   -1 :               0.00027753162899
                   +0 :               0.00394757316236
                   +1 :              -0.00152556372075
                3p
                   -1 :              -0.00012452983928
                   +0 :              -0.00347907111759
                   +1 :               0.00106971699294
                3d
                   -2 :               0.00011472049263
                   -1 :               0.00003168597700
                   +0 :              -0.00078638663818
                   +1 :              -0.00006002927872
                   +2 :               0.00005852410789
              2 vec=    -0.209286      8.620664      8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00017646956692
                2s
                   +0 :              -0.00043448522081
                3s
                   +0 :               0.00070363003401
                2p
                   -1 :               0.00152317941176
                   +0 :              -0.00107189591196
                   +1 :               0.00060759043030
                3p
                   -1 :              -0.00092279542957
                   +0 :               0.00101940634776
                   +1 :              -0.00053793288987
                3d
                   -2 :               0.00002293896644
                   -1 :              -0.00003701772199
                   +0 :               0.00007881373002
                   +1 :               0.00001837872279
                   +2 :               0.00004230281852
              3 vec=     7.570876      4.128785      8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00007690934596
                2s
                   +0 :              -0.00034671088359
                3s
                   +0 :               0.00024745147103
                2p
                   -1 :               0.00003840993049
                   +0 :               0.00050769280768
                   +1 :               0.00004167416816
                3p
                   -1 :              -0.00010151632225
                   +0 :              -0.00019086948480
                   +1 :              -0.00005237360257
                3d
                   -2 :              -0.00004829129711
                   -1 :               0.00000549708518
                   +0 :              -0.00002296661307
                   +1 :               0.00002126960358
                   +2 :               0.00002127302581
              4 vec=    -7.989449      4.128785      8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00010109844670
                2s
                   +0 :               0.00085604174999
                3s
                   +0 :              -0.00033133977556
                2p
                   -1 :               0.00033709172955
                   +0 :               0.00010702170407
                   +1 :              -0.00084672383456
                3p
                   -1 :              -0.00001840622983
                   +0 :              -0.00003527580059
                   +1 :               0.00037750853813
                3d
                   -2 :               0.00002495619213
                   -1 :              -0.00001078930172
                   +0 :               0.00001918637392
                   +1 :               0.00000756534508
                   +2 :              -0.00001331742110
              5 vec=     7.570876     -4.854973      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00018706967487
                2s
                   +0 :              -0.00176926912405
                3s
                   +0 :              -0.00000383899474
                2p
                   -1 :               0.00084151087512
                   +0 :              -0.00046910799179
                   +1 :              -0.00017907803147
                3p
                   -1 :              -0.00036019450793
                   +0 :              -0.00040105059076
                   +1 :              -0.00034904720337
                3d
                   -2 :               0.00010091496934
                   -1 :               0.00007304796044
                   +0 :              -0.00008030157521
                   +1 :              -0.00017392649764
                   +2 :              -0.00003726468650
              6 vec=    -7.989449     -4.854973      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00005090311850
                2s
                   +0 :               0.00093770883920
                3s
                   +0 :              -0.00006292724642
                2p
                   -1 :              -0.00035331865568
                   +0 :               0.00060438136537
                   +1 :              -0.00082645058328
                3p
                   -1 :               0.00007646294328
                   +0 :              -0.00047319461832
                   +1 :               0.00039309315762
                3d
                   -2 :               0.00002153091554
                   -1 :               0.00001206749858
                   +0 :               0.00002213845054
                   +1 :               0.00001626733410
                   +2 :              -0.00003302051731
              7 vec=    -0.209286     -9.346852      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00002767535793
                2s
                   +0 :               0.00027020740296
                3s
                   +0 :              -0.00004549815291
                2p
                   -1 :              -0.00047250247528
                   +0 :              -0.00023141558952
                   +1 :               0.00021034850043
                3p
                   -1 :               0.00036344005984
                   +0 :               0.00045114512438
                   +1 :              -0.00008516292254
                3d
                   -2 :              -0.00002244106943
                   -1 :              -0.00002329466974
                   +0 :               0.00006506393382
                   +1 :               0.00000142572943
                   +2 :               0.00004293860088
              8 vec=    -0.209286     -0.363094    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001280317154
                2s
                   +0 :               0.00005924112481
                3s
                   +0 :              -0.00007155570766
                2p
                   -1 :               0.00001628052339
                   +0 :              -0.00001273996096
                   +1 :               0.00009262169050
                3p
                   -1 :               0.00003952917028
                   +0 :               0.00007392622889
                   +1 :              -0.00011198229145
                3d
                   -2 :               0.00000752358625
                   -1 :              -0.00000379072921
                   +0 :              -0.00001229349311
                   +1 :               0.00000514520024
                   +2 :               0.00000464610818
              9 vec=     7.570876     13.112543      8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000387314329
                2s
                   +0 :               0.00008964994175
                3s
                   +0 :               0.00004480946875
                2p
                   -1 :               0.00012809891875
                   +0 :               0.00007327817917
                   +1 :               0.00004403108391
                3p
                   -1 :              -0.00006891358870
                   +0 :              -0.00003046606761
                   +1 :               0.00001825568024
                3d
                   -2 :              -0.00000121803404
                   -1 :              -0.00000695864309
                   +0 :              -0.00000213587085
                   +1 :               0.00000778733347
                   +2 :               0.00000357950251
             10 vec=    -7.989449     13.112543      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000425773455
                2s
                   +0 :               0.00005532334730
                3s
                   +0 :               0.00001171522182
                2p
                   -1 :               0.00005557410504
                   +0 :              -0.00003168811535
                   +1 :               0.00005028347732
                3p
                   -1 :              -0.00000545328872
                   +0 :               0.00004809326437
                   +1 :              -0.00007647858098
                3d
                   -2 :              -0.00000721161377
                   -1 :               0.00000705901706
                   +0 :              -0.00000328741319
                   +1 :              -0.00000534100820
                   +2 :               0.00000095834971
             11 vec=    15.351039     -0.363094      8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000406442751
                2s
                   +0 :               0.00000806627135
                3s
                   +0 :              -0.00001251169490
                2p
                   -1 :               0.00003114077754
                   +0 :               0.00006028765132
                   +1 :               0.00008690637723
                3p
                   -1 :              -0.00007624166380
                   +0 :               0.00001031622454
                   +1 :              -0.00002238606344
                3d
                   -2 :              -0.00000660505531
                   -1 :              -0.00000255920165
                   +0 :               0.00000318252097
                   +1 :               0.00000328305295
                   +2 :               0.00000771899753
             12 vec=   -15.769612     -0.363094      8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00001698627599
                2s
                   +0 :               0.00014782416002
                3s
                   +0 :              -0.00002755970373
                2p
                   -1 :               0.00005436101558
                   +0 :               0.00003329963927
                   +1 :              -0.00003780242420
                3p
                   -1 :              -0.00005293483060
                   +0 :               0.00000369161785
                   +1 :              -0.00002410504662
                3d
                   -2 :               0.00000110846448
                   -1 :              -0.00000248764140
                   +0 :               0.00000138641864
                   +1 :              -0.00000122381917
                   +2 :               0.00000208104183
             13 vec=     7.570876    -13.838731      8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00000043904359
                2s
                   +0 :               0.00001688664357
                3s
                   +0 :               0.00000103130425
                2p
                   -1 :               0.00002402097051
                   +0 :               0.00012675258658
                   +1 :               0.00009087403085
                3p
                   -1 :              -0.00003045444790
                   +0 :              -0.00004592522294
                   +1 :              -0.00001806345542
                3d
                   -2 :              -0.00000344483291
                   -1 :              -0.00000027663512
                   +0 :               0.00000275230008
                   +1 :               0.00000660089707
                   +2 :              -0.00000238993152
             14 vec=    -7.989449    -13.838731      8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00001739905007
                2s
                   +0 :               0.00018888772531
                3s
                   +0 :              -0.00002663328726
                2p
                   -1 :              -0.00000660835678
                   +0 :               0.00009061938319
                   +1 :              -0.00007896720037
                3p
                   -1 :              -0.00003790361092
                   +0 :              -0.00005314888660
                   +1 :               0.00003822337600
                3d
                   -2 :              -0.00000120295733
                   -1 :              -0.00000178207979
                   +0 :              -0.00000109085099
                   +1 :               0.00000483618411
                   +2 :              -0.00000009953917
WF             site_B          number of pairs
WF( 40)=[O_12_2pz]  to site O ( 30)  npairs=  15
              1 vec=    -2.593388      4.491280      8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00036224708199
                2s
                   +0 :               0.00355374098013
                3s
                   +0 :              -0.00054295849076
                2p
                   -1 :               0.00236276711756
                   +0 :               0.00212853125270
                   +1 :               0.00095552689878
                3p
                   -1 :               0.00009725669110
                   +0 :              -0.00018391409779
                   +1 :               0.00009369143981
                3d
                   -2 :               0.00006923170603
                   -1 :               0.00016599856714
                   +0 :               0.00001979337881
                   +1 :               0.00006898665903
                   +2 :              -0.00007131196962
              2 vec=     5.186775     -0.000599      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00001714714979
                2s
                   +0 :               0.00064614152999
                3s
                   +0 :               0.00031026113366
                2p
                   -1 :              -0.00370794169950
                   +0 :               0.00540911494752
                   +1 :               0.00232110577684
                3p
                   -1 :               0.00087727440165
                   +0 :              -0.00113288082511
                   +1 :               0.00021458527054
                3d
                   -2 :              -0.00014862097170
                   -1 :              -0.00024460169317
                   +0 :               0.00010300138949
                   +1 :               0.00026530438657
                   +2 :               0.00011400872413
              3 vec=    -2.593388     -4.492478      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00026708933105
                2s
                   +0 :               0.00276156254906
                3s
                   +0 :               0.00008943857968
                2p
                   -1 :               0.00093788571356
                   +0 :               0.00117369033417
                   +1 :              -0.00069714090569
                3p
                   -1 :              -0.00135288188753
                   +0 :               0.00079829447459
                   +1 :              -0.00055546552574
                3d
                   -2 :               0.00004882748607
                   -1 :              -0.00012976802646
                   +0 :               0.00011326080782
                   +1 :              -0.00026551164357
                   +2 :              -0.00000684326769
              4 vec=     5.186775      8.983159      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00006364322860
                2s
                   +0 :               0.00074841684046
                3s
                   +0 :              -0.00015688269654
                2p
                   -1 :               0.00027153129948
                   +0 :              -0.00011457419238
                   +1 :               0.00002514287832
                3p
                   -1 :              -0.00025905931349
                   +0 :               0.00008310664369
                   +1 :               0.00023830987426
                3d
                   -2 :              -0.00003990070985
                   -1 :              -0.00003298287279
                   +0 :               0.00003104794721
                   +1 :               0.00001105930735
                   +2 :               0.00002414778466
              5 vec=   -10.373550     -0.000599      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00004062915686
                2s
                   +0 :               0.00053034220170
                3s
                   +0 :              -0.00004642013983
                2p
                   -1 :               0.00011613733471
                   +0 :              -0.00020168769047
                   +1 :              -0.00040601204957
                3p
                   -1 :              -0.00001121754936
                   +0 :               0.00027562949392
                   +1 :               0.00019940349073
                3d
                   -2 :              -0.00000832406588
                   -1 :              -0.00000819754245
                   +0 :               0.00002097530616
                   +1 :              -0.00000308253707
                   +2 :              -0.00000192997573
              6 vec=     5.186775     -8.984357      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00007801756139
                2s
                   +0 :               0.00066914463116
                3s
                   +0 :              -0.00030308639529
                2p
                   -1 :              -0.00023550705435
                   +0 :              -0.00023424683834
                   +1 :              -0.00010341259590
                3p
                   -1 :               0.00017532307456
                   +0 :               0.00011185458655
                   +1 :               0.00026039961245
                3d
                   -2 :              -0.00005528836438
                   -1 :               0.00003982555831
                   +0 :              -0.00002124190383
                   +1 :               0.00006289199833
                   +2 :              -0.00001603525898
              7 vec=    -2.593388     13.475038      8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00003163177693
                2s
                   +0 :              -0.00015184915306
                3s
                   +0 :               0.00014376927397
                2p
                   -1 :              -0.00030755635251
                   +0 :              -0.00008041627900
                   +1 :              -0.00003651072619
                3p
                   -1 :               0.00031548249184
                   +0 :               0.00007095458694
                   +1 :              -0.00003123620398
                3d
                   -2 :              -0.00001424378511
                   -1 :               0.00001273183608
                   +0 :              -0.00001662618624
                   +1 :              -0.00000586384148
                   +2 :              -0.00000847581078
              8 vec=   -10.373550      8.983159      8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00000116251870
                2s
                   +0 :               0.00004755580261
                3s
                   +0 :               0.00000516759945
                2p
                   -1 :               0.00003182717297
                   +0 :               0.00012328873095
                   +1 :               0.00003360039029
                3p
                   -1 :               0.00001686367339
                   +0 :              -0.00009641041180
                   +1 :              -0.00007266306569
                3d
                   -2 :              -0.00000012066628
                   -1 :              -0.00000761670590
                   +0 :              -0.00000292204532
                   +1 :              -0.00000007363200
                   +2 :               0.00000264667028
              9 vec=    12.966938      4.491280      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000927091037
                2s
                   +0 :               0.00004817952803
                3s
                   +0 :              -0.00003093916166
                2p
                   -1 :               0.00012476999160
                   +0 :               0.00005000327943
                   +1 :               0.00003319233728
                3p
                   -1 :              -0.00010524595299
                   +0 :              -0.00002447531498
                   +1 :              -0.00001877803119
                3d
                   -2 :              -0.00000166412476
                   -1 :               0.00000004496039
                   +0 :               0.00000220321297
                   +1 :              -0.00000110973872
                   +2 :               0.00000215461722
             10 vec=    12.966938     -4.492478      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00004185664322
                2s
                   +0 :              -0.00035142291247
                3s
                   +0 :               0.00006773370960
                2p
                   -1 :              -0.00022607912423
                   +0 :               0.00002924824288
                   +1 :              -0.00015601352550
                3p
                   -1 :               0.00010254751310
                   +0 :               0.00011778283200
                   +1 :              -0.00002852579458
                3d
                   -2 :              -0.00000577278969
                   -1 :              -0.00000653826937
                   +0 :               0.00001467266312
                   +1 :               0.00002048124427
                   +2 :              -0.00001251032857
             11 vec=   -10.373550     -8.984357      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00002821129279
                2s
                   +0 :               0.00031252997215
                3s
                   +0 :              -0.00004542174537
                2p
                   -1 :              -0.00008302667644
                   +0 :               0.00015160498016
                   +1 :              -0.00016453641641
                3p
                   -1 :              -0.00003847026987
                   +0 :              -0.00007844901061
                   +1 :               0.00004907091276
                3d
                   -2 :               0.00000016329744
                   -1 :               0.00001092205539
                   +0 :              -0.00000321220492
                   +1 :              -0.00000062871858
                   +2 :              -0.00001489771785
             12 vec=    -2.593388    -13.476236      8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000393307098
                2s
                   +0 :               0.00009220282731
                3s
                   +0 :               0.00000046320053
                2p
                   -1 :              -0.00010536647887
                   +0 :               0.00000503303164
                   +1 :               0.00000755287492
                3p
                   -1 :               0.00007410590436
                   +0 :               0.00000920370593
                   +1 :               0.00001917103503
                3d
                   -2 :              -0.00000466186238
                   -1 :              -0.00000471138581
                   +0 :              -0.00000410668015
                   +1 :              -0.00000488458407
                   +2 :               0.00000123606996
             13 vec=    -2.593388      4.491280    -16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000350409342
                2s
                   +0 :              -0.00012326522831
                3s
                   +0 :              -0.00003310279180
                2p
                   -1 :               0.00010970587960
                   +0 :               0.00013197844125
                   +1 :               0.00003786011792
                3p
                   -1 :              -0.00010178336526
                   +0 :               0.00001977442747
                   +1 :               0.00002097407886
                3d
                   -2 :               0.00000479134306
                   -1 :               0.00000393150193
                   +0 :               0.00000172069817
                   +1 :              -0.00000991168747
                   +2 :               0.00000311838297
             14 vec=     5.186775     -0.000599    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003442586377
                2s
                   +0 :              -0.00024747355350
                3s
                   +0 :               0.00009084326134
                2p
                   -1 :               0.00002589068753
                   +0 :               0.00014934097678
                   +1 :               0.00006676770003
                3p
                   -1 :              -0.00005243777993
                   +0 :              -0.00005602412221
                   +1 :              -0.00007670611182
                3d
                   -2 :              -0.00000361550014
                   -1 :               0.00000702306385
                   +0 :               0.00000892583870
                   +1 :               0.00000335497736
                   +2 :              -0.00000149286563
             15 vec=    -2.593388     -4.492478    -16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001849660633
                2s
                   +0 :              -0.00017896214323
                3s
                   +0 :               0.00000836893168
                2p
                   -1 :               0.00003171803593
                   +0 :               0.00008181639464
                   +1 :              -0.00015280709690
                3p
                   -1 :               0.00001360326170
                   +0 :               0.00008102676730
                   +1 :               0.00004632650434
                3d
                   -2 :              -0.00000257041975
                   -1 :              -0.00000081220630
                   +0 :              -0.00000414966121
                   +1 :               0.00000735378577
                   +2 :              -0.00000507513884
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al(  1)  npairs=  13
              1 vec=     2.593388     -1.739555      6.601980   |vec|=    7.303276
                2s
                   +0 :               0.00085249709559
                2p
                   -1 :               0.00030793601744
                   +0 :              -0.00004325998275
                   +1 :              -0.00011744113864
                3s
                   +0 :              -0.00152109947789
                4s
                   +0 :              -0.00080465333172
                3p
                   -1 :              -0.00431495659841
                   +0 :              -0.00080688144797
                   +1 :               0.00378434767572
                4p
                   -1 :               0.00086998277042
                   +0 :              -0.00104632797355
                   +1 :              -0.00106554035618
                3d
                   -2 :               0.00011444330683
                   -1 :              -0.00025598475385
                   +0 :              -0.00059762032913
                   +1 :              -0.00164151031978
                   +2 :              -0.00136115544725
              2 vec=    -5.186775      2.752324      6.601980   |vec|=    8.835387
                2s
                   +0 :               0.00238255632926
                2p
                   -1 :              -0.00041119580121
                   +0 :               0.00032485303690
                   +1 :              -0.00019101806599
                3s
                   +0 :              -0.01928697754273
                4s
                   +0 :               0.00327655834064
                3p
                   -1 :              -0.00048647471834
                   +0 :              -0.00879128893675
                   +1 :               0.00765523510436
                4p
                   -1 :              -0.00088182351504
                   +0 :               0.00076788231177
                   +1 :              -0.00069093756885
                3d
                   -2 :               0.00181462473739
                   -1 :              -0.00061638893632
                   +0 :              -0.00013416592096
                   +1 :               0.00245810714079
                   +2 :              -0.00174931300245
              3 vec=     2.593388      7.244203      6.601980   |vec|=   10.138554
                2s
                   +0 :               0.00119607632280
                2p
                   -1 :               0.00035487767463
                   +0 :               0.00081569009099
                   +1 :               0.00036012021326
                3s
                   +0 :              -0.00449080152774
                4s
                   +0 :               0.00180823526210
                3p
                   -1 :              -0.00174721711231
                   +0 :              -0.00529171895255
                   +1 :              -0.00228458261212
                4p
                   -1 :               0.00061913290332
                   +0 :               0.00126101555248
                   +1 :               0.00032652175754
                3d
                   -2 :              -0.00044824944569
                   -1 :              -0.00075950680547
                   +0 :              -0.00008282648004
                   +1 :              -0.00045637584578
                   +2 :               0.00013275992768
              4 vec=    -5.186775     -6.231434      6.601980   |vec|=   10.455599
                2s
                   +0 :               0.00101973441789
                2p
                   -1 :              -0.00041828284032
                   +0 :               0.00027356152363
                   +1 :              -0.00004557274630
                3s
                   +0 :              -0.00341527458673
                4s
                   +0 :               0.00106517019500
                3p
                   -1 :               0.00289161712068
                   +0 :              -0.00246223505937
                   +1 :               0.00001897053873
                4p
                   -1 :              -0.00066351012757
                   +0 :               0.00044027924676
                   +1 :              -0.00013227069623
                3d
                   -2 :              -0.00011124643774
                   -1 :               0.00091542415718
                   +0 :               0.00048335145220
                   +1 :              -0.00034452137412
                   +2 :               0.00057363931234
              5 vec=    10.373550      2.752324      6.601980   |vec|=   12.600475
                2s
                   +0 :               0.00038824465053
                2p
                   -1 :               0.00011055031123
                   +0 :               0.00017926822948
                   +1 :               0.00035628197126
                3s
                   +0 :              -0.00062518955474
                4s
                   +0 :               0.00039194258468
                3p
                   -1 :              -0.00029687149185
                   +0 :              -0.00054870902120
                   +1 :              -0.00138502222541
                4p
                   -1 :               0.00015876093474
                   +0 :               0.00026337362039
                   +1 :               0.00037474742339
                3d
                   -2 :               0.00010166914657
                   -1 :              -0.00013134016449
                   +0 :              -0.00012239231748
                   +1 :              -0.00026447272019
                   +2 :              -0.00002724102136
              6 vec=     2.593388    -10.723313      6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00005434157838
                2p
                   -1 :              -0.00012622919447
                   +0 :               0.00019390775618
                   +1 :               0.00004626804911
                3s
                   +0 :               0.00043216017920
                4s
                   +0 :               0.00016754304019
                3p
                   -1 :               0.00048831014315
                   +0 :              -0.00055920128463
                   +1 :              -0.00017244424994
                4p
                   -1 :              -0.00011305354802
                   +0 :               0.00021721156096
                   +1 :               0.00004661299863
                3d
                   -2 :              -0.00001396602377
                   -1 :               0.00027279512587
                   +0 :              -0.00030596934296
                   +1 :               0.00002860148698
                   +2 :              -0.00002710810934
              7 vec=    10.373550     -6.231434      6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00022173507412
                2p
                   -1 :               0.00015786823256
                   +0 :              -0.00035345999188
                   +1 :               0.00015374389196
                3s
                   +0 :               0.00013475898262
                4s
                   +0 :               0.00007813119292
                3p
                   -1 :              -0.00049673096852
                   +0 :               0.00275650757140
                   +1 :              -0.00092375465035
                4p
                   -1 :               0.00006458312063
                   +0 :              -0.00047845921404
                   +1 :               0.00024867106082
                3d
                   -2 :               0.00035155036069
                   -1 :               0.00012413001812
                   +0 :              -0.00031659464556
                   +1 :              -0.00001201181301
                   +2 :              -0.00028141430302
              8 vec=    -5.186775     11.736082      6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00007574584926
                2p
                   -1 :              -0.00002660830194
                   +0 :               0.00002246004881
                   +1 :              -0.00009905032484
                3s
                   +0 :              -0.00040491757113
                4s
                   +0 :               0.00009006131787
                3p
                   -1 :               0.00009333793186
                   +0 :              -0.00017709647447
                   +1 :               0.00049027789503
                4p
                   -1 :              -0.00007584905820
                   +0 :               0.00002783304635
                   +1 :              -0.00010344269008
                3d
                   -2 :              -0.00005154410691
                   -1 :              -0.00000129760403
                   +0 :               0.00001951366364
                   +1 :               0.00012878430295
                   +2 :              -0.00011272758515
              9 vec=   -12.966938     -1.739555      6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00001037909408
                2p
                   -1 :              -0.00000241137128
                   +0 :               0.00001777033244
                   +1 :               0.00002208322622
                3s
                   +0 :              -0.00021720930406
                4s
                   +0 :               0.00020627595846
                3p
                   -1 :               0.00027237244280
                   +0 :              -0.00020006977713
                   +1 :               0.00000933799811
                4p
                   -1 :              -0.00011005231839
                   +0 :               0.00010663802314
                   +1 :              -0.00006165518682
                3d
                   -2 :              -0.00002755218279
                   -1 :               0.00002244034711
                   +0 :               0.00001443802819
                   +1 :              -0.00008422391522
                   +2 :               0.00002846087484
             10 vec=   -12.966938      7.244203      6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00035774172673
                2p
                   -1 :               0.00003761315987
                   +0 :               0.00012064458684
                   +1 :              -0.00010422188262
                3s
                   +0 :              -0.00147112349269
                4s
                   +0 :               0.00041671124055
                3p
                   -1 :              -0.00015222371671
                   +0 :              -0.00073032855872
                   +1 :               0.00053457900712
                4p
                   -1 :              -0.00001363321041
                   +0 :               0.00019364596578
                   +1 :              -0.00008845690846
                3d
                   -2 :               0.00001372153945
                   -1 :              -0.00007175414675
                   +0 :              -0.00012893093522
                   +1 :               0.00014835377918
                   +2 :              -0.00006323221188
             11 vec=    10.373550     11.736082      6.601980   |vec|=   16.998009
                2s
                   +0 :              -0.00012775004360
                2p
                   -1 :               0.00000272777592
                   +0 :              -0.00003480862123
                   +1 :              -0.00004423011712
                3s
                   +0 :               0.00083093644610
                4s
                   +0 :              -0.00016591114469
                3p
                   -1 :               0.00004279525379
                   +0 :               0.00038670027308
                   +1 :               0.00035275919157
                4p
                   -1 :              -0.00001148723425
                   +0 :              -0.00004749622528
                   +1 :              -0.00004434100430
                3d
                   -2 :               0.00001745301630
                   -1 :               0.00002052968180
                   +0 :               0.00002733611748
                   +1 :               0.00007246754250
                   +2 :               0.00008575264142
             12 vec=    -5.186775    -15.215192      6.601980   |vec|=   17.377884
                2s
                   +0 :              -0.00017379612026
                2p
                   -1 :               0.00007176577835
                   +0 :              -0.00006265044801
                   +1 :              -0.00001326146678
                3s
                   +0 :               0.00091841223182
                4s
                   +0 :              -0.00021299157383
                3p
                   -1 :              -0.00046701583094
                   +0 :               0.00042954742364
                   +1 :               0.00008231678156
                4p
                   -1 :               0.00009278190066
                   +0 :              -0.00006704490607
                   +1 :              -0.00001629540653
                3d
                   -2 :              -0.00003225194545
                   -1 :              -0.00011845404694
                   +0 :               0.00003662281468
                   +1 :               0.00001490073234
                   +2 :              -0.00003397310240
             13 vec=     2.593388     16.227961      6.601980   |vec|=   17.710407
                2s
                   +0 :               0.00004768707991
                2p
                   -1 :               0.00002309501750
                   +0 :              -0.00001659544641
                   +1 :              -0.00001514986462
                3s
                   +0 :              -0.00015869029554
                4s
                   +0 :               0.00002918464203
                3p
                   -1 :              -0.00010212018283
                   +0 :               0.00011450718254
                   +1 :               0.00007732401747
                4p
                   -1 :               0.00000229804774
                   +0 :              -0.00001599027185
                   +1 :              -0.00002788650645
                3d
                   -2 :              -0.00000446929699
                   -1 :               0.00001287522517
                   +0 :              -0.00001167988823
                   +1 :              -0.00001285727960
                   +2 :               0.00000805938044
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al(  2)  npairs=  15
              1 vec=     2.593388     -1.739555    -10.693237   |vec|=   11.139884
                2s
                   +0 :               0.00067466351071
                2p
                   -1 :               0.00028625928321
                   +0 :              -0.00019704738826
                   +1 :              -0.00003395249951
                3s
                   +0 :              -0.00227910724760
                4s
                   +0 :               0.00048842416173
                3p
                   -1 :              -0.00071175436238
                   +0 :               0.00099475261679
                   +1 :              -0.00141437628153
                4p
                   -1 :               0.00021718141371
                   +0 :              -0.00011737352847
                   +1 :               0.00003002607220
                3d
                   -2 :               0.00023245986440
                   -1 :              -0.00001426238622
                   +0 :               0.00030608737957
                   +1 :               0.00051350599475
                   +2 :               0.00005032197241
              2 vec=    -5.186775      2.752324    -10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00036648804127
                2p
                   -1 :              -0.00020640311807
                   +0 :              -0.00003962944458
                   +1 :              -0.00021424988581
                3s
                   +0 :              -0.00211599338993
                4s
                   +0 :               0.00035921139225
                3p
                   -1 :               0.00088354043222
                   +0 :               0.00001723312190
                   +1 :               0.00102539429433
                4p
                   -1 :              -0.00029708088646
                   +0 :              -0.00000710030328
                   +1 :              -0.00021257879487
                3d
                   -2 :              -0.00033515416617
                   -1 :              -0.00026721288540
                   +0 :               0.00051703906096
                   +1 :              -0.00003536997140
                   +2 :               0.00018943927945
              3 vec=     2.593388      7.244203    -10.693237   |vec|=   13.173817
                2s
                   +0 :              -0.00003662279294
                2p
                   -1 :               0.00015247677365
                   +0 :              -0.00005286006480
                   +1 :               0.00007573233410
                3s
                   +0 :               0.00135717390434
                4s
                   +0 :              -0.00012976295445
                3p
                   -1 :               0.00031561385947
                   +0 :              -0.00074221815967
                   +1 :              -0.00034051388736
                4p
                   -1 :               0.00007493504115
                   +0 :              -0.00000187858090
                   +1 :               0.00008064919796
                3d
                   -2 :              -0.00003089821546
                   -1 :              -0.00021943290556
                   +0 :               0.00000330465775
                   +1 :               0.00002277816232
                   +2 :              -0.00017707885624
              4 vec=    -5.186775     -6.231434    -10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00018056209831
                2p
                   -1 :               0.00005762075328
                   +0 :               0.00003606437609
                   +1 :              -0.00017714929420
                3s
                   +0 :               0.00048201744503
                4s
                   +0 :              -0.00002657521208
                3p
                   -1 :              -0.00040446251352
                   +0 :              -0.00011878424021
                   +1 :               0.00055249443038
                4p
                   -1 :               0.00005087906483
                   +0 :              -0.00014327681915
                   +1 :              -0.00011285474832
                3d
                   -2 :               0.00011739205221
                   -1 :               0.00022892801894
                   +0 :              -0.00027304135657
                   +1 :              -0.00018094647286
                   +2 :              -0.00004505449150
              5 vec=     2.593388     -1.739555     13.854306   |vec|=   14.201883
                2s
                   +0 :               0.00005997919622
                2p
                   -1 :               0.00000692060443
                   +0 :              -0.00001291455872
                   +1 :               0.00014062346869
                3s
                   +0 :              -0.00002294764733
                4s
                   +0 :              -0.00001757640257
                3p
                   -1 :              -0.00025448801923
                   +0 :               0.00011738089950
                   +1 :              -0.00046625109986
                4p
                   -1 :               0.00009312196978
                   +0 :              -0.00006126261916
                   +1 :               0.00018345307129
                3d
                   -2 :              -0.00001225034209
                   -1 :               0.00003728840656
                   +0 :               0.00000804519274
                   +1 :               0.00009052586646
                   +2 :              -0.00005859977445
              6 vec=    -5.186775      2.752324     13.854306   |vec|=   15.047249
                2s
                   +0 :              -0.00010172253859
                2p
                   -1 :              -0.00001066541579
                   +0 :              -0.00000503397600
                   +1 :              -0.00003086246469
                3s
                   +0 :               0.00055069961750
                4s
                   +0 :              -0.00002840063545
                3p
                   -1 :               0.00006484865751
                   +0 :               0.00006142689722
                   +1 :              -0.00011852438023
                4p
                   -1 :               0.00003372432438
                   +0 :               0.00000135341212
                   +1 :              -0.00003809425521
                3d
                   -2 :              -0.00004838066836
                   -1 :              -0.00003129324179
                   +0 :              -0.00002503626101
                   +1 :               0.00000167325324
                   +2 :               0.00008005318480
              7 vec=    10.373550      2.752324    -10.693237   |vec|=   15.150285
                2s
                   +0 :              -0.00002064447644
                2p
                   -1 :              -0.00002051992134
                   +0 :              -0.00005956811899
                   +1 :               0.00000587058605
                3s
                   +0 :               0.00044534968685
                4s
                   +0 :              -0.00001251304699
                3p
                   -1 :              -0.00015018504493
                   +0 :               0.00027925217619
                   +1 :               0.00008194029999
                4p
                   -1 :               0.00001356569247
                   +0 :              -0.00006563553707
                   +1 :               0.00002507802064
                3d
                   -2 :              -0.00013338529543
                   -1 :               0.00009509540121
                   +0 :              -0.00009355096874
                   +1 :               0.00005620198317
                   +2 :              -0.00000808286971
              8 vec=     2.593388    -10.723313    -10.693237   |vec|=   15.364258
                2s
                   +0 :              -0.00020611859338
                2p
                   -1 :               0.00001357411169
                   +0 :               0.00004159086722
                   +1 :              -0.00001855243550
                3s
                   +0 :               0.00076989488024
                4s
                   +0 :              -0.00009962128225
                3p
                   -1 :               0.00013183521192
                   +0 :              -0.00013842588562
                   +1 :               0.00001405587342
                4p
                   -1 :              -0.00012287385295
                   +0 :               0.00001249776597
                   +1 :               0.00000665917991
                3d
                   -2 :               0.00004195218796
                   -1 :              -0.00002572301171
                   +0 :              -0.00003431868216
                   +1 :               0.00002282736829
                   +2 :               0.00011758299519
              9 vec=     2.593388      7.244203     13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00004717125330
                2p
                   -1 :              -0.00000847493151
                   +0 :              -0.00010284884820
                   +1 :              -0.00003994076487
                3s
                   +0 :               0.00036228943974
                4s
                   +0 :              -0.00015388766033
                3p
                   -1 :               0.00002437999225
                   +0 :               0.00083870907750
                   +1 :               0.00014564976473
                4p
                   -1 :              -0.00000077469461
                   +0 :              -0.00026369225247
                   +1 :              -0.00008424886990
                3d
                   -2 :              -0.00009818718314
                   -1 :               0.00007535876223
                   +0 :               0.00022086755109
                   +1 :               0.00000815304390
                   +2 :              -0.00003649726489
             10 vec=    -5.186775     -6.231434     13.854306   |vec|=   16.052264
                2s
                   +0 :              -0.00014015198372
                2p
                   -1 :              -0.00000866862528
                   +0 :              -0.00007439278766
                   +1 :               0.00003716206235
                3s
                   +0 :               0.00048983329851
                4s
                   +0 :              -0.00018139754059
                3p
                   -1 :               0.00024127190691
                   +0 :               0.00056964007674
                   +1 :              -0.00018888298511
                4p
                   -1 :              -0.00004223731258
                   +0 :              -0.00013544910265
                   +1 :               0.00001632709682
                3d
                   -2 :               0.00001847885190
                   -1 :              -0.00006143929977
                   +0 :               0.00016794075562
                   +1 :              -0.00001063718432
                   +2 :               0.00005418906276
             11 vec=    10.373550     -6.231434    -10.693237   |vec|=   16.148889
                2s
                   +0 :               0.00024596508333
                2p
                   -1 :              -0.00006790953904
                   +0 :              -0.00013850072935
                   +1 :               0.00009831811555
                3s
                   +0 :              -0.00061745159737
                4s
                   +0 :               0.00028025636049
                3p
                   -1 :               0.00027368459130
                   +0 :               0.00068857354815
                   +1 :              -0.00042341127709
                4p
                   -1 :              -0.00004637701931
                   +0 :              -0.00020045277639
                   +1 :               0.00008860505898
                3d
                   -2 :               0.00001713851024
                   -1 :              -0.00006151763293
                   +0 :              -0.00005353058575
                   +1 :               0.00013663866065
                   +2 :               0.00001306298775
             12 vec=    -5.186775     11.736082    -10.693237   |vec|=   16.702801
                2s
                   +0 :               0.00005039227909
                2p
                   -1 :              -0.00000561913157
                   +0 :              -0.00001453364392
                   +1 :              -0.00002738761147
                3s
                   +0 :              -0.00052691423422
                4s
                   +0 :               0.00007466344085
                3p
                   -1 :              -0.00004517985061
                   +0 :               0.00021815843022
                   +1 :               0.00012948204433
                4p
                   -1 :              -0.00000468010181
                   +0 :              -0.00001929260970
                   +1 :              -0.00004640324049
                3d
                   -2 :               0.00003624187682
                   -1 :               0.00003200577444
                   +0 :              -0.00006019270126
                   +1 :              -0.00004681700756
                   +2 :               0.00001679999813
             13 vec=   -12.966938     -1.739555    -10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00017451840720
                2p
                   -1 :              -0.00004717222453
                   +0 :              -0.00004969880354
                   +1 :              -0.00002894994660
                3s
                   +0 :              -0.00086077754109
                4s
                   +0 :               0.00014906819371
                3p
                   -1 :               0.00031777530026
                   +0 :               0.00036499120814
                   +1 :               0.00008595856539
                4p
                   -1 :              -0.00006892813425
                   +0 :              -0.00003625097683
                   +1 :               0.00003167242321
                3d
                   -2 :              -0.00003090086405
                   -1 :              -0.00003602811510
                   +0 :              -0.00009317105950
                   +1 :              -0.00004038854828
                   +2 :              -0.00000167992343
             14 vec=    10.373550      2.752324     13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00010234233904
                2p
                   -1 :              -0.00006650130142
                   +0 :              -0.00002234585501
                   +1 :              -0.00001310439304
                3s
                   +0 :               0.00048837036775
                4s
                   +0 :              -0.00008134799704
                3p
                   -1 :               0.00032269011835
                   +0 :               0.00017734804634
                   +1 :               0.00024431943709
                4p
                   -1 :              -0.00012212282538
                   +0 :              -0.00003433616420
                   +1 :               0.00000745701577
                3d
                   -2 :               0.00010347416215
                   -1 :               0.00002124167658
                   +0 :              -0.00001994444459
                   +1 :               0.00004045764485
                   +2 :               0.00005674679139
             15 vec=     2.593388    -10.723313     13.854306   |vec|=   17.710361
                2s
                   +0 :               0.00011669981073
                2p
                   -1 :              -0.00006902973914
                   +0 :              -0.00001029665684
                   +1 :               0.00003179096115
                3s
                   +0 :              -0.00052525711896
                4s
                   +0 :               0.00005965921096
                3p
                   -1 :               0.00044309116783
                   +0 :               0.00007564995446
                   +1 :              -0.00008687511567
                4p
                   -1 :              -0.00004948780690
                   +0 :              -0.00002524649322
                   +1 :               0.00008968082629
                3d
                   -2 :              -0.00002731786068
                   -1 :               0.00001327488714
                   +0 :               0.00005044519754
                   +1 :               0.00000415730028
                   +2 :               0.00013832778199
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Cr(  3)  npairs=  14
              1 vec=     2.593388     -1.739555      1.580534   |vec|=    3.499971
                3s
                   +0 :              -0.07490557647087
                3p
                   -1 :               0.05831581224382
                   +0 :              -0.05697800564892
                   +1 :              -0.06319757032883
                4s
                   +0 :              -0.01926691438987
                5s
                   +0 :              -0.00860624238152
                3d
                   -2 :               0.03581683833361
                   -1 :               0.03982203128520
                   +0 :              -0.00554471063684
                   +1 :              -0.03603403683544
                   +2 :               0.00904527525365
                4d
                   -2 :               0.00284097117195
                   -1 :               0.00262031202140
                   +0 :              -0.00303661512267
                   +1 :              -0.00343312907917
                   +2 :               0.00500156010473
                4p
                   -1 :               0.02164843951009
                   +0 :              -0.01526867324652
                   +1 :              -0.01213097621765
              2 vec=    -5.186775      2.752324      1.580534   |vec|=    6.080790
                3s
                   +0 :              -0.00662028353958
                3p
                   -1 :              -0.00162960082865
                   +0 :              -0.00181036438257
                   +1 :               0.00186051084930
                4s
                   +0 :               0.01016111364157
                5s
                   +0 :              -0.00208467176840
                3d
                   -2 :              -0.00598145949637
                   -1 :               0.00166102177066
                   +0 :              -0.00287057890050
                   +1 :              -0.00133034965700
                   +2 :               0.00471537884475
                4d
                   -2 :              -0.00430447384557
                   -1 :               0.00214257677873
                   +0 :              -0.00200205563826
                   +1 :              -0.00308610941458
                   +2 :               0.00090142985070
                4p
                   -1 :               0.00411741661040
                   +0 :               0.00496379611718
                   +1 :              -0.00424225647893
              3 vec=     2.593388      7.244203      1.580534   |vec|=    7.855076
                3s
                   +0 :              -0.00087465099558
                3p
                   -1 :               0.00052134390285
                   +0 :               0.00056991035933
                   +1 :               0.00006620776521
                4s
                   +0 :              -0.00430906004133
                5s
                   +0 :               0.00030319811587
                3d
                   -2 :               0.00053155764419
                   -1 :              -0.00108465207220
                   +0 :              -0.00136205132495
                   +1 :               0.00068728795528
                   +2 :              -0.00088607357574
                4d
                   -2 :               0.00025980768525
                   -1 :              -0.00226197770325
                   +0 :               0.00006597531159
                   +1 :              -0.00076106798358
                   +2 :               0.00155612319899
                4p
                   -1 :              -0.00291348306254
                   +0 :              -0.00369662343606
                   +1 :               0.00071308145887
              4 vec=    -5.186775     -6.231434      1.580534   |vec|=    8.260236
                3s
                   +0 :              -0.00021098718260
                3p
                   -1 :              -0.00038674131414
                   +0 :              -0.00030687146020
                   +1 :               0.00023623584702
                4s
                   +0 :               0.00144556460037
                5s
                   +0 :              -0.00046218145776
                3d
                   -2 :              -0.00057383255481
                   -1 :               0.00043655520982
                   +0 :              -0.00031835891048
                   +1 :              -0.00056237791424
                   +2 :               0.00274899816793
                4d
                   -2 :              -0.00150350352374
                   -1 :               0.00062836343932
                   +0 :               0.00073578612620
                   +1 :              -0.00082962721369
                   +2 :               0.00094015966822
                4p
                   -1 :               0.00282000528163
                   +0 :               0.00148152950068
                   +1 :              -0.00045432218091
              5 vec=    10.373550      2.752324      1.580534   |vec|=   10.848222
                3s
                   +0 :               0.00034132072697
                3p
                   -1 :              -0.00063654547896
                   +0 :              -0.00005867355443
                   +1 :               0.00052174528670
                4s
                   +0 :              -0.00185150862811
                5s
                   +0 :               0.00010625711707
                3d
                   -2 :              -0.00065090727329
                   -1 :              -0.00030763578702
                   +0 :               0.00035887994536
                   +1 :               0.00019874485359
                   +2 :               0.00058214297356
                4d
                   -2 :               0.00035120621634
                   -1 :               0.00013651822519
                   +0 :              -0.00005722290567
                   +1 :              -0.00065957959537
                   +2 :              -0.00102622345635
                4p
                   -1 :               0.00047731972965
                   +0 :              -0.00063129041555
                   +1 :              -0.00134413775621
              6 vec=     2.593388    -10.723313      1.580534   |vec|=   11.145097
                3s
                   +0 :              -0.00045997568558
                3p
                   -1 :               0.00023027274429
                   +0 :               0.00027716258256
                   +1 :              -0.00012002924988
                4s
                   +0 :               0.00048067310662
                5s
                   +0 :               0.00021161524913
                3d
                   -2 :               0.00005232692799
                   -1 :              -0.00027684029727
                   +0 :               0.00056555209921
                   +1 :               0.00070150239726
                   +2 :               0.00091214345481
                4d
                   -2 :              -0.00081730473570
                   -1 :               0.00038544849996
                   +0 :               0.00004915058630
                   +1 :               0.00058137178165
                   +2 :               0.00029302986218
                4p
                   -1 :              -0.00008930152754
                   +0 :              -0.00058295374738
                   +1 :               0.00108372336658
              7 vec=    10.373550     -6.231434      1.580534   |vec|=   12.204073
                3s
                   +0 :              -0.00025245127578
                3p
                   -1 :               0.00009009475606
                   +0 :              -0.00046103720075
                   +1 :              -0.00028833945647
                4s
                   +0 :               0.00032685002110
                5s
                   +0 :               0.00002503229943
                3d
                   -2 :               0.00039895063918
                   -1 :               0.00022302602621
                   +0 :              -0.00014878829096
                   +1 :              -0.00056862536726
                   +2 :              -0.00051340031281
                4d
                   -2 :              -0.00009309471697
                   -1 :              -0.00016527087797
                   +0 :               0.00007044968928
                   +1 :               0.00026569484579
                   +2 :               0.00009549999501
                4p
                   -1 :               0.00000662088815
                   +0 :               0.00057701917649
                   +1 :               0.00006376716750
              8 vec=    -5.186775     11.736082      1.580534   |vec|=   12.928122
                3s
                   +0 :               0.00021527727062
                3p
                   -1 :               0.00026135849665
                   +0 :               0.00015933061857
                   +1 :               0.00011990620615
                4s
                   +0 :               0.00047434147679
                5s
                   +0 :               0.00000294270910
                3d
                   -2 :               0.00088646838977
                   -1 :               0.00095043445439
                   +0 :               0.00008480438263
                   +1 :               0.00031783057830
                   +2 :              -0.00043586279295
                4d
                   -2 :               0.00012347987443
                   -1 :               0.00017175165609
                   +0 :               0.00007058957086
                   +1 :               0.00001644757949
                   +2 :              -0.00012572510640
                4p
                   -1 :               0.00028425153877
                   +0 :               0.00039213494323
                   +1 :               0.00033215896076
              9 vec=   -12.966938     -1.739555      1.580534   |vec|=   13.178225
                3s
                   +0 :              -0.00000002793772
                3p
                   -1 :              -0.00038953832264
                   +0 :               0.00032430156650
                   +1 :              -0.00018116823841
                4s
                   +0 :               0.00197220384638
                5s
                   +0 :              -0.00003755865251
                3d
                   -2 :               0.00136293362838
                   -1 :              -0.00134368288224
                   +0 :               0.00051463700652
                   +1 :              -0.00125291063782
                   +2 :              -0.00040894433979
                4d
                   -2 :               0.00034278840998
                   -1 :              -0.00021540734593
                   +0 :               0.00010521919743
                   +1 :              -0.00078277738668
                   +2 :               0.00016408823212
                4p
                   -1 :              -0.00045961877610
                   +0 :               0.00083010319473
                   +1 :              -0.00092315524008
             10 vec=   -12.966938      7.244203      1.580534   |vec|=   14.937136
                3s
                   +0 :              -0.00015008258769
                3p
                   -1 :              -0.00005175069355
                   +0 :               0.00014332806110
                   +1 :              -0.00002530739243
                4s
                   +0 :               0.00056433680010
                5s
                   +0 :               0.00002045563150
                3d
                   -2 :               0.00025047644239
                   -1 :               0.00015374963449
                   +0 :               0.00011313633699
                   +1 :              -0.00019877294941
                   +2 :              -0.00000283139815
                4d
                   -2 :              -0.00003279867850
                   -1 :              -0.00001348074714
                   +0 :              -0.00000853032610
                   +1 :               0.00009972398177
                   +2 :              -0.00006551114467
                4p
                   -1 :               0.00019129275197
                   +0 :              -0.00007780540429
                   +1 :               0.00001426667262
             11 vec=    10.373550     11.736082      1.580534   |vec|=   15.743070
                3s
                   +0 :              -0.00000490586414
                3p
                   -1 :              -0.00010266427322
                   +0 :              -0.00000768250137
                   +1 :               0.00002938556038
                4s
                   +0 :              -0.00023809007831
                5s
                   +0 :               0.00001096587607
                3d
                   -2 :              -0.00006873251869
                   -1 :              -0.00022409748494
                   +0 :              -0.00004596357321
                   +1 :               0.00011887074338
                   +2 :               0.00013514887228
                4d
                   -2 :               0.00001890637081
                   -1 :               0.00000739609457
                   +0 :              -0.00001326663120
                   +1 :               0.00002440221656
                   +2 :              -0.00012613456019
                4p
                   -1 :               0.00010926865766
                   +0 :              -0.00003580765434
                   +1 :              -0.00007078534906
             12 vec=    -5.186775    -15.215192      1.580534   |vec|=   16.152486
                3s
                   +0 :               0.00007751106174
                3p
                   -1 :               0.00003380450703
                   +0 :              -0.00003001675531
                   +1 :               0.00006898199355
                4s
                   +0 :              -0.00040268636190
                5s
                   +0 :               0.00005399517136
                3d
                   -2 :              -0.00004347464689
                   -1 :              -0.00004530978135
                   +0 :              -0.00001682540013
                   +1 :               0.00018237442682
                   +2 :              -0.00007965000306
                4d
                   -2 :               0.00004597586073
                   -1 :              -0.00006784088337
                   +0 :              -0.00002474029738
                   +1 :              -0.00002101346654
                   +2 :               0.00004123727977
                4p
                   -1 :              -0.00002385465962
                   +0 :               0.00006665860911
                   +1 :              -0.00002008659643
             13 vec=     2.593388     16.227961      1.580534   |vec|=   16.509708
                3s
                   +0 :               0.00012572307614
                3p
                   -1 :               0.00010313084177
                   +0 :               0.00003721163808
                   +1 :               0.00003115973455
                4s
                   +0 :              -0.00004378261913
                5s
                   +0 :              -0.00000538188797
                3d
                   -2 :              -0.00009992162006
                   -1 :               0.00030717483673
                   +0 :               0.00005989771574
                   +1 :              -0.00005708608391
                   +2 :              -0.00015474517277
                4d
                   -2 :              -0.00001354308999
                   -1 :              -0.00002010441155
                   +0 :              -0.00000124109995
                   +1 :              -0.00003578080014
                   +2 :               0.00001251470416
                4p
                   -1 :              -0.00004708290748
                   +0 :               0.00000358216335
                   +1 :              -0.00007839784385
             14 vec=   -12.966938    -10.723313      1.580534   |vec|=   16.900562
                3s
                   +0 :               0.00002543062558
                3p
                   -1 :              -0.00002732528210
                   +0 :               0.00006619382874
                   +1 :              -0.00004842960318
                4s
                   +0 :               0.00008476567073
                5s
                   +0 :              -0.00003040260549
                3d
                   -2 :               0.00011309731171
                   -1 :              -0.00007658607882
                   +0 :               0.00002665261556
                   +1 :              -0.00033204989906
                   +2 :               0.00018711435988
                4d
                   -2 :              -0.00001144368292
                   -1 :               0.00003035252919
                   +0 :              -0.00001605876763
                   +1 :               0.00000074839262
                   +2 :               0.00001956658686
                4p
                   -1 :               0.00003125431606
                   +0 :              -0.00003093576968
                   +1 :              -0.00002129259736
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al(  4)  npairs=  14
              1 vec=     2.593388     -1.739555     -5.671791   |vec|=    6.474637
                2s
                   +0 :              -0.00219264814499
                2p
                   -1 :               0.00106728620264
                   +0 :               0.00187651620751
                   +1 :              -0.00010214394590
                3s
                   +0 :               0.00632147097495
                4s
                   +0 :              -0.00458986881031
                3p
                   -1 :              -0.00497825920201
                   +0 :              -0.01290008359546
                   +1 :               0.00101174154775
                4p
                   -1 :               0.00135525377151
                   +0 :               0.00506568523389
                   +1 :              -0.00090015459606
                3d
                   -2 :              -0.00148796615783
                   -1 :              -0.00000932207956
                   +0 :               0.00321322209836
                   +1 :              -0.00202094711344
                   +2 :               0.00104925547230
              2 vec=    -5.186775      2.752324     -5.671791   |vec|=    8.163770
                2s
                   +0 :              -0.00023135921789
                2p
                   -1 :              -0.00045224526974
                   +0 :               0.00001129821096
                   +1 :              -0.00002452324446
                3s
                   +0 :              -0.00959561247973
                4s
                   +0 :               0.00054822021562
                3p
                   -1 :              -0.00107998034749
                   +0 :              -0.00185177930576
                   +1 :               0.00642783431470
                4p
                   -1 :              -0.00068542843583
                   +0 :              -0.00017952203522
                   +1 :               0.00003561715445
                3d
                   -2 :               0.00226332317694
                   -1 :              -0.00097085796888
                   +0 :               0.00278593326860
                   +1 :               0.00095012961916
                   +2 :              -0.00127091882924
              3 vec=     2.593388      7.244203     -5.671791   |vec|=    9.558941
                2s
                   +0 :               0.00093692353067
                2p
                   -1 :               0.00045209498017
                   +0 :              -0.00053327838071
                   +1 :               0.00082257067912
                3s
                   +0 :              -0.00308827503239
                4s
                   +0 :               0.00088310624121
                3p
                   -1 :              -0.00275281675239
                   +0 :               0.00164220233690
                   +1 :              -0.00385911725149
                4p
                   -1 :               0.00079992741283
                   +0 :              -0.00032821407441
                   +1 :               0.00064190116053
                3d
                   -2 :              -0.00040368977259
                   -1 :               0.00037398228094
                   +0 :               0.00041248344691
                   +1 :               0.00038851611319
                   +2 :              -0.00015369751402
              4 vec=    -5.186775     -6.231434     -5.671791   |vec|=    9.894576
                2s
                   +0 :              -0.00117859042237
                2p
                   -1 :               0.00107339376582
                   +0 :              -0.00040223901585
                   +1 :              -0.00084292647015
                3s
                   +0 :               0.00266356481429
                4s
                   +0 :              -0.00053958628136
                3p
                   -1 :              -0.00411676026101
                   +0 :               0.00287167564429
                   +1 :               0.00414679793306
                4p
                   -1 :               0.00053399614181
                   +0 :              -0.00123656390274
                   +1 :              -0.00108210717698
                3d
                   -2 :              -0.00046866423139
                   -1 :              -0.00037848109111
                   +0 :              -0.00062448163058
                   +1 :              -0.00070813740041
                   +2 :              -0.00061664810651
              5 vec=    10.373550      2.752324     -5.671791   |vec|=   12.138989
                2s
                   +0 :               0.00020108559331
                2p
                   -1 :               0.00023398332994
                   +0 :              -0.00003604444364
                   +1 :               0.00020646147103
                3s
                   +0 :               0.00164061687373
                4s
                   +0 :               0.00023814281675
                3p
                   -1 :              -0.00071826488837
                   +0 :              -0.00017324672715
                   +1 :               0.00021066512171
                4p
                   -1 :               0.00032870865630
                   +0 :               0.00012131277005
                   +1 :               0.00024176167254
                3d
                   -2 :               0.00000820525474
                   -1 :               0.00020724519006
                   +0 :              -0.00008719465330
                   +1 :               0.00010116056729
                   +2 :               0.00025274347314
              6 vec=     2.593388    -10.723313     -5.671791   |vec|=   12.405012
                2s
                   +0 :              -0.00011113200517
                2p
                   -1 :               0.00008717456524
                   +0 :               0.00001597929055
                   +1 :               0.00011786027971
                3s
                   +0 :               0.00170382694209
                4s
                   +0 :              -0.00000640682278
                3p
                   -1 :              -0.00105660705556
                   +0 :               0.00025036775529
                   +1 :              -0.00040660769645
                4p
                   -1 :              -0.00003505684642
                   +0 :               0.00000075823658
                   +1 :               0.00013827308250
                3d
                   -2 :              -0.00011414950160
                   -1 :              -0.00015575122830
                   +0 :              -0.00021060152927
                   +1 :              -0.00002507543185
                   +2 :              -0.00038962220024
              7 vec=    10.373550     -6.231434     -5.671791   |vec|=   13.364525
                2s
                   +0 :               0.00022016359888
                2p
                   -1 :              -0.00006958359572
                   +0 :               0.00002210299665
                   +1 :               0.00000139816741
                3s
                   +0 :              -0.00023438948769
                4s
                   +0 :               0.00016888333522
                3p
                   -1 :               0.00029835621367
                   +0 :              -0.00005089657817
                   +1 :              -0.00006603291071
                4p
                   -1 :              -0.00006819915535
                   +0 :               0.00001054600111
                   +1 :               0.00001769626481
                3d
                   -2 :              -0.00001454208653
                   -1 :               0.00007265858329
                   +0 :               0.00000332071120
                   +1 :              -0.00000665449958
                   +2 :               0.00002917412744
              8 vec=    -5.186775     11.736082     -5.671791   |vec|=   14.028809
                2s
                   +0 :               0.00024042858812
                2p
                   -1 :              -0.00008874738054
                   +0 :              -0.00004554732534
                   +1 :              -0.00010198352580
                3s
                   +0 :              -0.00116129633396
                4s
                   +0 :               0.00019852868435
                3p
                   -1 :               0.00047432553505
                   +0 :               0.00028089442400
                   +1 :               0.00061232499228
                4p
                   -1 :              -0.00020348047449
                   +0 :              -0.00011220718003
                   +1 :              -0.00011226273331
                3d
                   -2 :              -0.00003739127456
                   -1 :              -0.00014433733809
                   +0 :              -0.00003878966007
                   +1 :              -0.00016512057891
                   +2 :              -0.00015896449567
              9 vec=   -12.966938     -1.739555     -5.671791   |vec|=   14.259619
                2s
                   +0 :               0.00017592370451
                2p
                   -1 :               0.00003649880977
                   +0 :               0.00005964915767
                   +1 :               0.00009258851545
                3s
                   +0 :              -0.00078926404612
                4s
                   +0 :               0.00009316425307
                3p
                   -1 :              -0.00007073928699
                   +0 :              -0.00026537117839
                   +1 :              -0.00054680305104
                4p
                   -1 :               0.00003835330021
                   +0 :               0.00003410768674
                   +1 :               0.00016452750615
                3d
                   -2 :              -0.00002181410946
                   -1 :               0.00016099814047
                   +0 :              -0.00012435739343
                   +1 :               0.00013186198192
                   +2 :               0.00015733909945
             10 vec=   -12.966938      7.244203     -5.671791   |vec|=   15.899345
                2s
                   +0 :              -0.00001297077267
                2p
                   -1 :              -0.00002717917675
                   +0 :               0.00000133447973
                   +1 :               0.00005420972512
                3s
                   +0 :               0.00002049342143
                4s
                   +0 :              -0.00003965881156
                3p
                   -1 :               0.00024783676775
                   +0 :               0.00007338710375
                   +1 :              -0.00039381112823
                4p
                   -1 :              -0.00005543660343
                   +0 :              -0.00002332238864
                   +1 :               0.00008439541005
                3d
                   -2 :              -0.00012032873982
                   -1 :               0.00000399158059
                   +0 :              -0.00009747364919
                   +1 :               0.00004387861868
                   +2 :               0.00004362127871
             11 vec=    10.373550     11.736082     -5.671791   |vec|=   16.658793
                2s
                   +0 :              -0.00006265621357
                2p
                   -1 :              -0.00001859416863
                   +0 :               0.00003242774712
                   +1 :              -0.00004061581288
                3s
                   +0 :               0.00069453247706
                4s
                   +0 :              -0.00007537274162
                3p
                   -1 :               0.00018146914321
                   +0 :              -0.00018718781779
                   +1 :               0.00036999165977
                4p
                   -1 :              -0.00000486089694
                   +0 :               0.00005483333356
                   +1 :              -0.00006641005400
                3d
                   -2 :               0.00005140271756
                   -1 :              -0.00000308172418
                   +0 :              -0.00001701020672
                   +1 :              -0.00005141070679
                   +2 :               0.00005165374940
             12 vec=    -5.186775    -15.215192     -5.671791   |vec|=   17.046229
                2s
                   +0 :              -0.00012142660133
                2p
                   -1 :               0.00007532258746
                   +0 :               0.00001751443947
                   +1 :               0.00001158237832
                3s
                   +0 :               0.00053510118733
                4s
                   +0 :              -0.00015489931139
                3p
                   -1 :              -0.00036524104574
                   +0 :              -0.00009125318373
                   +1 :              -0.00008716373526
                4p
                   -1 :               0.00008568946212
                   +0 :               0.00002030257697
                   +1 :               0.00003850481819
                3d
                   -2 :              -0.00002917024495
                   -1 :               0.00008227874425
                   +0 :               0.00001546860528
                   +1 :              -0.00001337608934
                   +2 :              -0.00005578476641
             13 vec=     2.593388     16.227961     -5.671791   |vec|=   17.385097
                2s
                   +0 :               0.00000355756544
                2p
                   -1 :               0.00000638196810
                   +0 :              -0.00002519364804
                   +1 :              -0.00001833713432
                3s
                   +0 :              -0.00008364037873
                4s
                   +0 :               0.00004107160821
                3p
                   -1 :              -0.00007126871869
                   +0 :               0.00009676607795
                   +1 :               0.00006086116226
                4p
                   -1 :               0.00003267616736
                   +0 :              -0.00001395260408
                   +1 :              -0.00003995013339
                3d
                   -2 :               0.00001253016474
                   -1 :               0.00000696071951
                   +0 :              -0.00000986086993
                   +1 :               0.00000520724434
                   +2 :              -0.00000876238841
             14 vec=   -12.966938    -10.723313     -5.671791   |vec|=   17.756693
                2s
                   +0 :               0.00002036576831
                2p
                   -1 :              -0.00000095069265
                   +0 :              -0.00002007012515
                   +1 :              -0.00000701848816
                3s
                   +0 :              -0.00025716964654
                4s
                   +0 :               0.00008767191166
                3p
                   -1 :               0.00017059542355
                   +0 :               0.00003795107354
                   +1 :               0.00006632722844
                4p
                   -1 :              -0.00006023611031
                   +0 :               0.00001690900652
                   +1 :              -0.00001680207989
                3d
                   -2 :               0.00001613650215
                   -1 :               0.00000777784931
                   +0 :               0.00000723217093
                   +1 :              -0.00001695768687
                   +2 :               0.00000231930030
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al(  5)  npairs=  13
              1 vec=     0.000000      2.752324     -9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00021726387036
                2p
                   -1 :              -0.00008440010854
                   +0 :              -0.00003919934959
                   +1 :               0.00009329362192
                3s
                   +0 :              -0.00158935767360
                4s
                   +0 :               0.00056552112013
                3p
                   -1 :               0.00056164242574
                   +0 :               0.00069809372234
                   +1 :              -0.00099054003378
                4p
                   -1 :              -0.00022737004502
                   +0 :              -0.00033811209167
                   +1 :               0.00020650362518
                3d
                   -2 :              -0.00007239567097
                   -1 :               0.00006608733318
                   +0 :              -0.00000622782693
                   +1 :               0.00006288604978
                   +2 :               0.00002391089077
              2 vec=     0.000000     -6.231434     -9.763130   |vec|=   11.582292
                2s
                   +0 :               0.00017094623764
                2p
                   -1 :              -0.00028486747283
                   +0 :               0.00000649968793
                   +1 :               0.00038496378900
                3s
                   +0 :              -0.00015526338172
                4s
                   +0 :               0.00004145267221
                3p
                   -1 :               0.00149940298803
                   +0 :              -0.00018754161518
                   +1 :              -0.00187383177440
                4p
                   -1 :              -0.00041355915785
                   +0 :              -0.00006860086584
                   +1 :               0.00041873106924
                3d
                   -2 :              -0.00004748360696
                   -1 :              -0.00011779714017
                   +0 :               0.00017961496437
                   +1 :               0.00049408108819
                   +2 :               0.00004456442403
              3 vec=    -7.780163     -1.739555     -9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00008015527799
                2p
                   -1 :               0.00030316663287
                   +0 :               0.00010045938803
                   +1 :               0.00030614472729
                3s
                   +0 :              -0.00342646956820
                4s
                   +0 :               0.00014758544587
                3p
                   -1 :               0.00034968254075
                   +0 :               0.00019548854533
                   +1 :               0.00072906045258
                4p
                   -1 :               0.00009542854836
                   +0 :               0.00018260238816
                   +1 :               0.00020229605521
                3d
                   -2 :              -0.00058433663022
                   -1 :              -0.00001639223261
                   +0 :               0.00033248388558
                   +1 :              -0.00002013219845
                   +2 :               0.00002232115976
              4 vec=     7.780163     -1.739555     -9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00018593093792
                2p
                   -1 :               0.00008282658512
                   +0 :               0.00003408266240
                   +1 :               0.00012301924219
                3s
                   +0 :               0.00193458157645
                4s
                   +0 :              -0.00032263508652
                3p
                   -1 :              -0.00084616585466
                   +0 :              -0.00045448517709
                   +1 :               0.00027336803670
                4p
                   -1 :               0.00028206982883
                   +0 :               0.00008446443108
                   +1 :               0.00019612774761
                3d
                   -2 :              -0.00013542209170
                   -1 :              -0.00003290621632
                   +0 :              -0.00018240687470
                   +1 :              -0.00009377164384
                   +2 :               0.00015526799024
              5 vec=    -7.780163      7.244203     -9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00011821703708
                2p
                   -1 :               0.00007375829181
                   +0 :              -0.00004990614288
                   +1 :              -0.00005032212413
                3s
                   +0 :              -0.00072702107796
                4s
                   +0 :               0.00017781740695
                3p
                   -1 :              -0.00059061984438
                   +0 :               0.00043512499828
                   +1 :               0.00029541700370
                4p
                   -1 :               0.00005884413735
                   +0 :              -0.00014769048930
                   +1 :              -0.00011454806668
                3d
                   -2 :               0.00013791176138
                   -1 :               0.00014551522840
                   +0 :               0.00000937939727
                   +1 :              -0.00007135957758
                   +2 :               0.00001979273298
              6 vec=     7.780163      7.244203     -9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00005632025889
                2p
                   -1 :              -0.00011525978987
                   +0 :               0.00003423562204
                   +1 :               0.00002046812103
                3s
                   +0 :               0.00103450857514
                4s
                   +0 :              -0.00008944401958
                3p
                   -1 :               0.00108464645999
                   +0 :              -0.00041635514082
                   +1 :              -0.00036981896923
                4p
                   -1 :              -0.00008042135630
                   +0 :               0.00014495170746
                   +1 :               0.00003354518671
                3d
                   -2 :               0.00003087407946
                   -1 :              -0.00012988629909
                   +0 :              -0.00004440110772
                   +1 :               0.00003500469072
                   +2 :              -0.00021631312109
              7 vec=     0.000000      2.752324     14.784412   |vec|=   15.038422
                2s
                   +0 :              -0.00008568255261
                2p
                   -1 :               0.00000850615664
                   +0 :              -0.00002817395957
                   +1 :               0.00000938854845
                3s
                   +0 :               0.00028871678816
                4s
                   +0 :              -0.00016765016552
                3p
                   -1 :              -0.00014756595221
                   +0 :               0.00000686959679
                   +1 :               0.00025928281019
                4p
                   -1 :               0.00001474764636
                   +0 :              -0.00004873869015
                   +1 :              -0.00001798516299
                3d
                   -2 :              -0.00003697395884
                   -1 :              -0.00005353453509
                   +0 :              -0.00002112302517
                   +1 :               0.00006212327216
                   +2 :               0.00004001089374
              8 vec=     0.000000     11.736082     -9.763130   |vec|=   15.266117
                2s
                   +0 :               0.00006281956722
                2p
                   -1 :               0.00004321100409
                   +0 :              -0.00003129800897
                   +1 :              -0.00002699784267
                3s
                   +0 :              -0.00032112037514
                4s
                   +0 :               0.00004865229376
                3p
                   -1 :              -0.00024160884952
                   +0 :               0.00017674475550
                   +1 :               0.00021836135164
                4p
                   -1 :               0.00004262617630
                   +0 :              -0.00005039557461
                   +1 :              -0.00003793961785
                3d
                   -2 :               0.00000467438515
                   -1 :               0.00002557369592
                   +0 :               0.00000105318514
                   +1 :              -0.00003483732810
                   +2 :               0.00007033536054
              9 vec=     0.000000     -6.231434     14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00009018434564
                2p
                   -1 :              -0.00002455481038
                   +0 :               0.00003447675769
                   +1 :              -0.00006341408925
                3s
                   +0 :               0.00015963711945
                4s
                   +0 :              -0.00002277653305
                3p
                   -1 :               0.00019974081693
                   +0 :               0.00010102566814
                   +1 :               0.00033814855500
                4p
                   -1 :              -0.00003161094508
                   +0 :              -0.00000709888869
                   +1 :              -0.00003727620981
                3d
                   -2 :               0.00011319204813
                   -1 :              -0.00000077361788
                   +0 :               0.00004931770374
                   +1 :              -0.00000181645452
                   +2 :               0.00003480434462
             10 vec=    -7.780163    -10.723313     -9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00000033182863
                2p
                   -1 :               0.00005266577844
                   +0 :               0.00000019282630
                   +1 :               0.00005206003124
                3s
                   +0 :              -0.00002871875055
                4s
                   +0 :              -0.00001346801247
                3p
                   -1 :              -0.00023225545828
                   +0 :              -0.00001929343754
                   +1 :              -0.00022160671207
                4p
                   -1 :               0.00008179464424
                   +0 :              -0.00000582968040
                   +1 :               0.00003201628322
                3d
                   -2 :               0.00003697100751
                   -1 :               0.00003300153278
                   +0 :               0.00001821273273
                   +1 :               0.00002572524284
                   +2 :              -0.00006389605886
             11 vec=     7.780163    -10.723313     -9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00007207967038
                2p
                   -1 :              -0.00000269659905
                   +0 :              -0.00000208642748
                   +1 :               0.00002200095162
                3s
                   +0 :               0.00096354418195
                4s
                   +0 :              -0.00014422928124
                3p
                   -1 :              -0.00021440488948
                   +0 :              -0.00013621500397
                   +1 :               0.00019928356904
                4p
                   -1 :               0.00006658008291
                   +0 :               0.00005990223362
                   +1 :               0.00000818321473
                3d
                   -2 :              -0.00000223902382
                   -1 :              -0.00002453189789
                   +0 :              -0.00005239236997
                   +1 :              -0.00000098447481
                   +2 :               0.00006793731907
             12 vec=    -7.780163     -1.739555     14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00000184414843
                2p
                   -1 :               0.00003264992807
                   +0 :               0.00002214215489
                   +1 :               0.00001030860684
                3s
                   +0 :               0.00052681123714
                4s
                   +0 :              -0.00004941168125
                3p
                   -1 :              -0.00005040730480
                   +0 :               0.00016206749663
                   +1 :              -0.00025536780172
                4p
                   -1 :               0.00002688505265
                   +0 :               0.00000229740827
                   +1 :               0.00002147918340
                3d
                   -2 :               0.00001190076078
                   -1 :               0.00003635252781
                   +0 :               0.00009336956170
                   +1 :              -0.00007970374297
                   +2 :               0.00001388605009
             13 vec=     7.780163     -1.739555     14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00002168935655
                2p
                   -1 :               0.00005071128972
                   +0 :              -0.00001296650400
                   +1 :              -0.00003460207880
                3s
                   +0 :              -0.00030375588674
                4s
                   +0 :               0.00015066877167
                3p
                   -1 :              -0.00012027636238
                   +0 :              -0.00013060191794
                   +1 :               0.00048831193561
                4p
                   -1 :              -0.00001481092778
                   +0 :               0.00004815727324
                   +1 :              -0.00004212837922
                3d
                   -2 :               0.00008338831243
                   -1 :               0.00001332785995
                   +0 :              -0.00007358334617
                   +1 :               0.00006498478346
                   +2 :              -0.00012262486209
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al(  6)  npairs=  14
              1 vec=     0.000000      2.752324     -2.510804   |vec|=    3.725510
                2s
                   +0 :               0.00275075887624
                2p
                   -1 :               0.00223715743803
                   +0 :              -0.00043364196058
                   +1 :              -0.00354463963751
                3s
                   +0 :              -0.00312437807801
                4s
                   +0 :               0.00319454087242
                3p
                   -1 :              -0.00286903853060
                   +0 :               0.00218774045576
                   +1 :              -0.03057566482494
                4p
                   -1 :               0.00334240457829
                   +0 :              -0.00121779512218
                   +1 :               0.00071274500339
                3d
                   -2 :              -0.02510590398391
                   -1 :              -0.00115085139515
                   +0 :              -0.00141858623917
                   +1 :               0.02113775055257
                   +2 :              -0.00403860245514
              2 vec=     0.000000     -6.231434     -2.510804   |vec|=    6.718252
                2s
                   +0 :               0.00253629614853
                2p
                   -1 :              -0.00156588864343
                   +0 :              -0.00075814342951
                   +1 :               0.00086713110176
                3s
                   +0 :              -0.01387351151934
                4s
                   +0 :               0.00635587455305
                3p
                   -1 :               0.01062821520943
                   +0 :               0.00672013504252
                   +1 :              -0.00404699466988
                4p
                   -1 :              -0.00302416757100
                   +0 :              -0.00220948637657
                   +1 :               0.00112589187428
                3d
                   -2 :              -0.00174249288630
                   -1 :              -0.00170536354587
                   +0 :              -0.00078057947600
                   +1 :               0.00227332616842
                   +2 :               0.00016925320757
              3 vec=    -7.780163     -1.739555     -2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00113747132607
                2p
                   -1 :              -0.00075067764401
                   +0 :              -0.00073799790036
                   +1 :              -0.00062247428074
                3s
                   +0 :              -0.00920568633761
                4s
                   +0 :              -0.00010573394183
                3p
                   -1 :               0.00796332264515
                   +0 :               0.00969436269726
                   +1 :               0.00131813533091
                4p
                   -1 :              -0.00134455374230
                   +0 :              -0.00074575840341
                   +1 :               0.00095692567053
                3d
                   -2 :              -0.00084890530857
                   -1 :              -0.00246244543101
                   +0 :              -0.00228902953894
                   +1 :              -0.00132580454281
                   +2 :               0.00164430600951
              4 vec=     7.780163     -1.739555     -2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00031210632992
                2p
                   -1 :               0.00047143395446
                   +0 :               0.00043433101934
                   +1 :               0.00066884041918
                3s
                   +0 :               0.00771372753435
                4s
                   +0 :               0.00131301515814
                3p
                   -1 :              -0.00636631512541
                   +0 :              -0.00657132703697
                   +1 :              -0.00381397005323
                4p
                   -1 :              -0.00029809460233
                   +0 :              -0.00009741868237
                   +1 :               0.00166930344524
                3d
                   -2 :              -0.00104633164574
                   -1 :               0.00278519585132
                   +0 :               0.00186205036313
                   +1 :              -0.00060776254123
                   +2 :              -0.00261784929692
              5 vec=    -7.780163      7.244203     -2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00038167415698
                2p
                   -1 :              -0.00005695968141
                   +0 :              -0.00004327232056
                   +1 :               0.00000644006810
                3s
                   +0 :               0.00094215994131
                4s
                   +0 :              -0.00020819483016
                3p
                   -1 :               0.00092580002905
                   +0 :              -0.00009688283332
                   +1 :               0.00062941765391
                4p
                   -1 :              -0.00006907503156
                   +0 :              -0.00009103503221
                   +1 :              -0.00014027265612
                3d
                   -2 :               0.00033646772458
                   -1 :              -0.00030490561339
                   +0 :              -0.00010837766854
                   +1 :              -0.00041984301829
                   +2 :              -0.00004028988517
              6 vec=     7.780163      7.244203     -2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00031850438558
                2p
                   -1 :               0.00030857820632
                   +0 :              -0.00010491852979
                   +1 :               0.00022916577423
                3s
                   +0 :               0.00103757794537
                4s
                   +0 :              -0.00000098798064
                3p
                   -1 :              -0.00089040526434
                   +0 :               0.00050723355796
                   +1 :               0.00001749169550
                4p
                   -1 :               0.00004646765589
                   +0 :              -0.00029571062542
                   +1 :               0.00004433451185
                3d
                   -2 :              -0.00006273777808
                   -1 :               0.00010107418903
                   +0 :               0.00039405663898
                   +1 :               0.00000015785509
                   +2 :               0.00002062994589
              7 vec=     0.000000     11.736082     -2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00013285316136
                2p
                   -1 :               0.00001810482782
                   +0 :               0.00016327872194
                   +1 :              -0.00002944723246
                3s
                   +0 :              -0.00052989477735
                4s
                   +0 :               0.00003662742473
                3p
                   -1 :              -0.00034441643725
                   +0 :              -0.00052582505811
                   +1 :               0.00040578462975
                4p
                   -1 :               0.00005814325015
                   +0 :               0.00014755721245
                   +1 :               0.00008221652991
                3d
                   -2 :               0.00042728799952
                   -1 :               0.00003412750228
                   +0 :               0.00006231011445
                   +1 :              -0.00031407561846
                   +2 :              -0.00005156539742
              8 vec=    -7.780163    -10.723313     -2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00017204710963
                2p
                   -1 :              -0.00016936735286
                   +0 :               0.00004054290131
                   +1 :               0.00014107090832
                3s
                   +0 :              -0.00054468687292
                4s
                   +0 :              -0.00000668393471
                3p
                   -1 :               0.00080836663267
                   +0 :               0.00003511724414
                   +1 :              -0.00064115329262
                4p
                   -1 :              -0.00019458692133
                   +0 :              -0.00006913877831
                   +1 :               0.00028815150718
                3d
                   -2 :               0.00008870357291
                   -1 :               0.00007347845157
                   +0 :               0.00014586040024
                   +1 :              -0.00006284220667
                   +2 :               0.00024936221777
              9 vec=     7.780163    -10.723313     -2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00037740409811
                2p
                   -1 :               0.00001365217365
                   +0 :               0.00022860104162
                   +1 :              -0.00020960061524
                3s
                   +0 :               0.00259231894498
                4s
                   +0 :              -0.00057702232410
                3p
                   -1 :              -0.00005493819148
                   +0 :              -0.00187894930158
                   +1 :               0.00159485706595
                4p
                   -1 :               0.00005836814136
                   +0 :               0.00028954716152
                   +1 :              -0.00028532485035
                3d
                   -2 :              -0.00008951437373
                   -1 :               0.00022042719465
                   +0 :               0.00037771650456
                   +1 :              -0.00053385961023
                   +2 :               0.00016573392993
             10 vec=     0.000000    -15.215192     -2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00010555204154
                2p
                   -1 :               0.00002968971661
                   +0 :               0.00004226585990
                   +1 :              -0.00006224103704
                3s
                   +0 :               0.00052031929661
                4s
                   +0 :              -0.00007786261590
                3p
                   -1 :              -0.00015454958396
                   +0 :              -0.00017418610961
                   +1 :               0.00046222331179
                4p
                   -1 :               0.00000324006704
                   +0 :               0.00005852454196
                   +1 :              -0.00005513455338
                3d
                   -2 :              -0.00004140408230
                   -1 :               0.00003694662581
                   +0 :               0.00000831824875
                   +1 :              -0.00003944794915
                   +2 :              -0.00002857515721
             11 vec=   -15.560325      2.752324     -2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00005709983700
                2p
                   -1 :               0.00002330486586
                   +0 :               0.00003705053673
                   +1 :              -0.00001193036663
                3s
                   +0 :              -0.00072139726735
                4s
                   +0 :               0.00015959683042
                3p
                   -1 :              -0.00025245777085
                   +0 :              -0.00014340207818
                   +1 :               0.00015930170721
                4p
                   -1 :               0.00002950701606
                   +0 :               0.00006246621484
                   +1 :              -0.00011194403579
                3d
                   -2 :              -0.00001415859369
                   -1 :               0.00008863631742
                   +0 :              -0.00002645993133
                   +1 :               0.00005638777369
                   +2 :              -0.00003404605944
             12 vec=    15.560325      2.752324     -2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00006521639537
                2p
                   -1 :              -0.00004952904288
                   +0 :              -0.00002420996539
                   +1 :              -0.00005141979348
                3s
                   +0 :               0.00046692459876
                4s
                   +0 :              -0.00014534213814
                3p
                   -1 :               0.00039720337805
                   +0 :               0.00020156775029
                   +1 :               0.00020668455935
                4p
                   -1 :              -0.00008538135621
                   +0 :              -0.00002118533947
                   +1 :              -0.00007654582080
                3d
                   -2 :               0.00005740724545
                   -1 :              -0.00000983392482
                   +0 :              -0.00000789688022
                   +1 :               0.00000661709811
                   +2 :               0.00000834168326
             13 vec=   -15.560325     -6.231434     -2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00001731695598
                2p
                   -1 :               0.00003142837373
                   +0 :               0.00001698558572
                   +1 :              -0.00001907814375
                3s
                   +0 :              -0.00035582864939
                4s
                   +0 :               0.00007745900892
                3p
                   -1 :              -0.00007615229156
                   +0 :               0.00002720859631
                   +1 :               0.00016158723554
                4p
                   -1 :              -0.00001882145719
                   +0 :               0.00001639370009
                   +1 :              -0.00002234163819
                3d
                   -2 :               0.00000351032675
                   -1 :               0.00000394723432
                   +0 :              -0.00004927447426
                   +1 :              -0.00004738497990
                   +2 :              -0.00004053400711
             14 vec=    15.560325     -6.231434     -2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00010698052440
                2p
                   -1 :              -0.00000526892771
                   +0 :              -0.00005486851922
                   +1 :               0.00004755408647
                3s
                   +0 :              -0.00026121790821
                4s
                   +0 :               0.00011479749460
                3p
                   -1 :               0.00010178822089
                   +0 :               0.00031245264872
                   +1 :              -0.00018785041476
                4p
                   -1 :              -0.00000803163688
                   +0 :              -0.00010157260631
                   +1 :               0.00004750599543
                3d
                   -2 :               0.00002738051552
                   -1 :              -0.00005797869413
                   +0 :               0.00002777538747
                   +1 :              -0.00000108391980
                   +2 :              -0.00001177736257
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al(  7)  npairs=  13
              1 vec=     0.000000      2.752324      9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00026807390580
                2p
                   -1 :               0.00007503798605
                   +0 :              -0.00002961249993
                   +1 :              -0.00000004450519
                3s
                   +0 :               0.00356040056004
                4s
                   +0 :              -0.00061772774654
                3p
                   -1 :              -0.00004518443463
                   +0 :               0.00150489348859
                   +1 :              -0.00081734189427
                4p
                   -1 :               0.00025152556310
                   +0 :              -0.00044545398299
                   +1 :               0.00015139690789
                3d
                   -2 :               0.00007481280076
                   -1 :               0.00033349802531
                   +0 :               0.00012703643772
                   +1 :               0.00006298803758
                   +2 :              -0.00019075609525
              2 vec=     0.000000     -6.231434      9.762967   |vec|=   11.582154
                2s
                   +0 :              -0.00024046634883
                2p
                   -1 :               0.00026890239254
                   +0 :              -0.00006507529616
                   +1 :               0.00034467857425
                3s
                   +0 :              -0.00028348842469
                4s
                   +0 :              -0.00060185845591
                3p
                   -1 :              -0.00117183249547
                   +0 :               0.00092599529680
                   +1 :              -0.00011971579900
                4p
                   -1 :               0.00054050655929
                   +0 :              -0.00049408401745
                   +1 :               0.00033778250729
                3d
                   -2 :              -0.00021628739509
                   -1 :              -0.00011073853253
                   +0 :               0.00029987112143
                   +1 :              -0.00024564104781
                   +2 :              -0.00017410327053
              3 vec=    -7.780163     -1.739555      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00004538495173
                2p
                   -1 :              -0.00011974329794
                   +0 :              -0.00000789897887
                   +1 :               0.00016618214104
                3s
                   +0 :              -0.00138205310973
                4s
                   +0 :               0.00017677382648
                3p
                   -1 :               0.00108171338674
                   +0 :              -0.00017494782141
                   +1 :               0.00036428539544
                4p
                   -1 :              -0.00032508407469
                   +0 :              -0.00004638293836
                   +1 :               0.00014509597754
                3d
                   -2 :              -0.00007512490165
                   -1 :              -0.00003508558182
                   +0 :               0.00019848258182
                   +1 :               0.00006563852133
                   +2 :              -0.00020539063757
              4 vec=     7.780163     -1.739555      9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00044771554826
                2p
                   -1 :              -0.00012643314357
                   +0 :               0.00035860336839
                   +1 :               0.00024753754244
                3s
                   +0 :              -0.00136089422983
                4s
                   +0 :               0.00097970872237
                3p
                   -1 :              -0.00175110492629
                   +0 :              -0.00309497423574
                   +1 :               0.00033035594855
                4p
                   -1 :               0.00021619015115
                   +0 :               0.00108573522689
                   +1 :               0.00031685223438
                3d
                   -2 :              -0.00034675544121
                   -1 :               0.00028486548022
                   +0 :              -0.00087965907532
                   +1 :              -0.00031422987796
                   +2 :               0.00019518497498
              5 vec=    -7.780163      7.244203      9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00000014424413
                2p
                   -1 :               0.00004358244816
                   +0 :               0.00004681181687
                   +1 :               0.00004350351669
                3s
                   +0 :              -0.00016039042816
                4s
                   +0 :              -0.00000633688295
                3p
                   -1 :              -0.00034400445045
                   +0 :              -0.00041310388868
                   +1 :              -0.00052822281045
                4p
                   -1 :              -0.00002430376848
                   +0 :               0.00010897707197
                   +1 :               0.00013860670884
                3d
                   -2 :              -0.00000617249596
                   -1 :              -0.00018507638069
                   +0 :              -0.00005916568841
                   +1 :              -0.00008284752703
                   +2 :               0.00018473018492
              6 vec=     7.780163      7.244203      9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00026262369372
                2p
                   -1 :              -0.00014380344764
                   +0 :              -0.00007149253012
                   +1 :              -0.00005256523812
                3s
                   +0 :               0.00095008297827
                4s
                   +0 :              -0.00017838737562
                3p
                   -1 :               0.00093016595243
                   +0 :               0.00040332821588
                   +1 :               0.00031188513794
                4p
                   -1 :              -0.00007379260854
                   +0 :              -0.00015220386284
                   +1 :              -0.00007966048817
                3d
                   -2 :               0.00017942405625
                   -1 :               0.00016222325525
                   +0 :              -0.00006971034336
                   +1 :               0.00008803578469
                   +2 :              -0.00007809792784
              7 vec=     0.000000      2.752324    -14.784576   |vec|=   15.038583
                2s
                   +0 :               0.00009331096287
                2p
                   -1 :              -0.00002109554996
                   +0 :              -0.00002615600962
                   +1 :              -0.00001930511407
                3s
                   +0 :              -0.00064310524381
                4s
                   +0 :               0.00017278834055
                3p
                   -1 :               0.00005369371773
                   +0 :               0.00026269910623
                   +1 :               0.00013127735546
                4p
                   -1 :              -0.00000963658625
                   +0 :              -0.00006654460184
                   +1 :              -0.00001974799423
                3d
                   -2 :              -0.00003642862261
                   -1 :              -0.00001216860630
                   +0 :              -0.00002625770860
                   +1 :              -0.00001916953113
                   +2 :              -0.00003916773995
              8 vec=     0.000000     11.736082      9.762967   |vec|=   15.266013
                2s
                   +0 :              -0.00015113237744
                2p
                   -1 :              -0.00007483833810
                   +0 :               0.00000427429559
                   +1 :              -0.00002966416473
                3s
                   +0 :               0.00037334944256
                4s
                   +0 :              -0.00002605691080
                3p
                   -1 :               0.00037100613905
                   +0 :              -0.00024598280890
                   +1 :               0.00033688194964
                4p
                   -1 :              -0.00004016679136
                   +0 :               0.00010581304475
                   +1 :              -0.00009224421540
                3d
                   -2 :               0.00000666262915
                   -1 :              -0.00003936800645
                   +0 :              -0.00008067007965
                   +1 :              -0.00000082962810
                   +2 :              -0.00012353567513
              9 vec=     0.000000     -6.231434    -14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00006784083147
                2p
                   -1 :               0.00000012311425
                   +0 :               0.00000716188985
                   +1 :              -0.00005286785112
                3s
                   +0 :               0.00009541121933
                4s
                   +0 :              -0.00001202752297
                3p
                   -1 :               0.00009314258177
                   +0 :               0.00005749954636
                   +1 :               0.00024015505361
                4p
                   -1 :              -0.00001422248900
                   +0 :              -0.00002528439695
                   +1 :              -0.00005193396079
                3d
                   -2 :               0.00001707113055
                   -1 :              -0.00005452032279
                   +0 :              -0.00006803287605
                   +1 :              -0.00001403075230
                   +2 :              -0.00002666040798
             10 vec=    -7.780163    -10.723313      9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00000376740582
                2p
                   -1 :               0.00000535954024
                   +0 :               0.00000119119730
                   +1 :               0.00002779496982
                3s
                   +0 :               0.00023161193962
                4s
                   +0 :               0.00000429675118
                3p
                   -1 :               0.00001432351008
                   +0 :               0.00011172064009
                   +1 :              -0.00019653106070
                4p
                   -1 :              -0.00000613297528
                   +0 :              -0.00001052964425
                   +1 :               0.00001758497848
                3d
                   -2 :               0.00000286610904
                   -1 :               0.00001123982186
                   +0 :               0.00005333059762
                   +1 :              -0.00001551767002
                   +2 :              -0.00002351486909
             11 vec=     7.780163    -10.723313      9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00005594767153
                2p
                   -1 :               0.00003759494864
                   +0 :              -0.00000341735929
                   +1 :              -0.00000850324191
                3s
                   +0 :              -0.00042581778797
                4s
                   +0 :              -0.00002786531490
                3p
                   -1 :              -0.00007984138927
                   +0 :              -0.00006405791998
                   +1 :               0.00007905345943
                4p
                   -1 :               0.00010311039795
                   +0 :               0.00006947631138
                   +1 :              -0.00007052152884
                3d
                   -2 :              -0.00007612711501
                   -1 :              -0.00001238115716
                   +0 :              -0.00000479586236
                   +1 :               0.00005220692614
                   +2 :               0.00006167458821
             12 vec=    -7.780163     -1.739555    -14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00010583450574
                2p
                   -1 :              -0.00006412884880
                   +0 :              -0.00001161820304
                   +1 :               0.00001306406510
                3s
                   +0 :              -0.00044938636563
                4s
                   +0 :               0.00004538438251
                3p
                   -1 :               0.00041692808115
                   +0 :              -0.00008571045610
                   +1 :              -0.00012638919993
                4p
                   -1 :              -0.00007089908518
                   +0 :               0.00003037275813
                   +1 :               0.00002397611439
                3d
                   -2 :               0.00006868610826
                   -1 :              -0.00003062670969
                   +0 :               0.00013023160541
                   +1 :               0.00008102002055
                   +2 :               0.00006703344583
             13 vec=     7.780163     -1.739555    -14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00015824326761
                2p
                   -1 :              -0.00003455304405
                   +0 :               0.00004667336345
                   +1 :              -0.00001765098267
                3s
                   +0 :               0.00069270500845
                4s
                   +0 :              -0.00014113418934
                3p
                   -1 :               0.00020436264149
                   +0 :              -0.00023829366393
                   +1 :               0.00010952114776
                4p
                   -1 :              -0.00002878071855
                   +0 :               0.00004037522530
                   +1 :              -0.00002259213909
                3d
                   -2 :               0.00004639728282
                   -1 :              -0.00001522060466
                   +0 :              -0.00003851411289
                   +1 :              -0.00000588412375
                   +2 :               0.00001842053017
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al(  8)  npairs=  14
              1 vec=     0.000000      2.752324      2.510641   |vec|=    3.725400
                2s
                   +0 :              -0.00237156335899
                2p
                   -1 :              -0.00074178996659
                   +0 :               0.00007619672913
                   +1 :              -0.00310946493623
                3s
                   +0 :              -0.00215357967883
                4s
                   +0 :              -0.00171618646522
                3p
                   -1 :              -0.00152671842412
                   +0 :              -0.00497501734988
                   +1 :              -0.03074449345199
                4p
                   -1 :              -0.00140107699587
                   +0 :              -0.00043962336855
                   +1 :               0.00118426231315
                3d
                   -2 :              -0.02188203341729
                   -1 :              -0.00282795226296
                   +0 :               0.00128573508755
                   +1 :              -0.01880161568064
                   +2 :               0.00188765305863
              2 vec=     0.000000     -6.231434      2.510641   |vec|=    6.718191
                2s
                   +0 :              -0.00342416408517
                2p
                   -1 :               0.00156159141301
                   +0 :              -0.00081679876092
                   +1 :               0.00024853860121
                3s
                   +0 :               0.01789994827112
                4s
                   +0 :              -0.00696266329255
                3p
                   -1 :              -0.01109068885448
                   +0 :               0.00603603059081
                   +1 :              -0.00023222189417
                4p
                   -1 :               0.00306140992234
                   +0 :              -0.00206131661532
                   +1 :               0.00044393725334
                3d
                   -2 :              -0.00264322911452
                   -1 :              -0.00214953283172
                   +0 :               0.00180632851662
                   +1 :              -0.00267474721594
                   +2 :              -0.00159497730627
              3 vec=    -7.780163     -1.739555      2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00037260380450
                2p
                   -1 :               0.00004272361431
                   +0 :               0.00068287669743
                   +1 :               0.00093530512717
                3s
                   +0 :              -0.00555749608686
                4s
                   +0 :               0.00006157366948
                3p
                   -1 :               0.00337661930187
                   +0 :              -0.01084722265392
                   +1 :              -0.00439302696391
                4p
                   -1 :               0.00026852475780
                   +0 :               0.00107591642800
                   +1 :               0.00131696737452
                3d
                   -2 :              -0.00043835794387
                   -1 :               0.00254986755998
                   +0 :              -0.00373221116937
                   +1 :               0.00148088026400
                   +2 :               0.00197265955370
              4 vec=     7.780163     -1.739555      2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00009089551512
                2p
                   -1 :               0.00073692104038
                   +0 :              -0.00091628406093
                   +1 :              -0.00032356064871
                3s
                   +0 :               0.00109820216001
                4s
                   +0 :              -0.00170799910772
                3p
                   -1 :              -0.00853246898782
                   +0 :               0.01207338359051
                   +1 :               0.00118278948876
                4p
                   -1 :               0.00161684895599
                   +0 :              -0.00219683709464
                   +1 :              -0.00151087088135
                3d
                   -2 :              -0.00105592715768
                   -1 :              -0.00109183047737
                   +0 :              -0.00049533712604
                   +1 :              -0.00012920702088
                   +2 :              -0.00124441529431
              5 vec=    -7.780163      7.244203      2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00022053625590
                2p
                   -1 :              -0.00016272147936
                   +0 :              -0.00001284684468
                   +1 :               0.00031831071409
                3s
                   +0 :              -0.00098961395660
                4s
                   +0 :              -0.00020950648456
                3p
                   -1 :               0.00120442402999
                   +0 :               0.00040318535525
                   +1 :              -0.00094817331758
                4p
                   -1 :              -0.00064623637300
                   +0 :              -0.00018526397014
                   +1 :               0.00042957454226
                3d
                   -2 :              -0.00025732882477
                   -1 :              -0.00001961964207
                   +0 :              -0.00049644043086
                   +1 :               0.00004793452221
                   +2 :              -0.00005911175704
              6 vec=     7.780163      7.244203      2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00000833756142
                2p
                   -1 :              -0.00005768669464
                   +0 :               0.00002692236527
                   +1 :               0.00007247976034
                3s
                   +0 :               0.00274262541050
                4s
                   +0 :              -0.00007750593167
                3p
                   -1 :               0.00080815078015
                   +0 :               0.00051281616886
                   +1 :               0.00058221825436
                4p
                   -1 :              -0.00012769188246
                   +0 :              -0.00009376615496
                   +1 :               0.00006907259432
                3d
                   -2 :               0.00017998955522
                   -1 :               0.00007973212514
                   +0 :               0.00015445304357
                   +1 :               0.00010181572653
                   +2 :              -0.00018052700184
              7 vec=     0.000000     11.736082      2.510641   |vec|=   12.001622
                2s
                   +0 :              -0.00004743159800
                2p
                   -1 :              -0.00002262629356
                   +0 :              -0.00009106535204
                   +1 :               0.00004443090272
                3s
                   +0 :              -0.00077978507205
                4s
                   +0 :               0.00031775687895
                3p
                   -1 :              -0.00036537086007
                   +0 :               0.00009909110852
                   +1 :               0.00011298469409
                4p
                   -1 :               0.00019843026004
                   +0 :              -0.00010657896894
                   +1 :               0.00007167490311
                3d
                   -2 :               0.00024515885346
                   -1 :              -0.00020494758691
                   +0 :              -0.00025734892002
                   +1 :               0.00019597114048
                   +2 :               0.00019871547372
              8 vec=    -7.780163    -10.723313      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00006156223115
                2p
                   -1 :               0.00000743683159
                   +0 :               0.00024141278535
                   +1 :              -0.00016641727567
                3s
                   +0 :              -0.00033485862204
                4s
                   +0 :               0.00042414557078
                3p
                   -1 :               0.00026514872354
                   +0 :              -0.00151848525783
                   +1 :               0.00101668861225
                4p
                   -1 :              -0.00025366268647
                   +0 :               0.00040614283814
                   +1 :              -0.00030085365111
                3d
                   -2 :              -0.00016516630194
                   -1 :               0.00028889578781
                   +0 :               0.00006586946443
                   +1 :               0.00011076421364
                   +2 :              -0.00007182202977
              9 vec=     7.780163    -10.723313      2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00009303824200
                2p
                   -1 :              -0.00004354655090
                   +0 :              -0.00006141308888
                   +1 :               0.00013109725210
                3s
                   +0 :              -0.00041464060218
                4s
                   +0 :              -0.00006574216834
                3p
                   -1 :               0.00092913900065
                   +0 :               0.00209730180720
                   +1 :               0.00078796327327
                4p
                   -1 :               0.00004007963711
                   +0 :              -0.00014101243506
                   +1 :               0.00011648776195
                3d
                   -2 :              -0.00024711316978
                   -1 :              -0.00036267624345
                   +0 :               0.00022093422349
                   +1 :               0.00027486627822
                   +2 :               0.00002277175968
             10 vec=     0.000000    -15.215192      2.510641   |vec|=   15.420940
                2s
                   +0 :              -0.00008584356013
                2p
                   -1 :               0.00001337853287
                   +0 :               0.00000054360301
                   +1 :              -0.00004661577905
                3s
                   +0 :               0.00052818591148
                4s
                   +0 :              -0.00005371874593
                3p
                   -1 :               0.00000959476703
                   +0 :               0.00000680546790
                   +1 :               0.00032043289109
                4p
                   -1 :              -0.00005717461122
                   +0 :               0.00001729299521
                   +1 :              -0.00010818128893
                3d
                   -2 :              -0.00005270405933
                   -1 :               0.00003698968975
                   +0 :               0.00007151717959
                   +1 :              -0.00003721162602
                   +2 :              -0.00002765371235
             11 vec=   -15.560325      2.752324      2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00017932444497
                2p
                   -1 :               0.00007388483906
                   +0 :               0.00000662185183
                   +1 :              -0.00009125265291
                3s
                   +0 :              -0.00087579340672
                4s
                   +0 :               0.00026160411274
                3p
                   -1 :              -0.00041337530306
                   +0 :               0.00001444213059
                   +1 :               0.00044465318679
                4p
                   -1 :               0.00008088633892
                   +0 :               0.00001794810860
                   +1 :              -0.00012327876229
                3d
                   -2 :              -0.00001529155826
                   -1 :               0.00002479784690
                   +0 :               0.00000384917674
                   +1 :               0.00000045609284
                   +2 :               0.00005010806858
             12 vec=    15.560325      2.752324      2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00014797578182
                2p
                   -1 :              -0.00007320015535
                   +0 :               0.00006321522452
                   +1 :              -0.00006282722949
                3s
                   +0 :               0.00069686618303
                4s
                   +0 :              -0.00014470595379
                3p
                   -1 :               0.00043038890312
                   +0 :              -0.00027241555508
                   +1 :               0.00016350229271
                4p
                   -1 :              -0.00010049405741
                   +0 :               0.00007256559793
                   +1 :               0.00001978473021
                3d
                   -2 :               0.00007479601147
                   -1 :               0.00001770867532
                   +0 :               0.00002394926874
                   +1 :              -0.00008055824645
                   +2 :               0.00001038302778
             13 vec=   -15.560325     -6.231434      2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00009326962357
                2p
                   -1 :               0.00003620519039
                   +0 :               0.00000069852915
                   +1 :               0.00000696205091
                3s
                   +0 :               0.00025676834020
                4s
                   +0 :              -0.00010872484740
                3p
                   -1 :              -0.00022858025083
                   +0 :              -0.00018511061172
                   +1 :               0.00003376466902
                4p
                   -1 :               0.00006832633735
                   +0 :               0.00001720790291
                   +1 :              -0.00002098297332
                3d
                   -2 :               0.00002218836787
                   -1 :              -0.00008401916634
                   +0 :              -0.00000202808708
                   +1 :              -0.00001542913673
                   +2 :              -0.00000553626551
             14 vec=    15.560325     -6.231434      2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00014557127728
                2p
                   -1 :               0.00002469506776
                   +0 :              -0.00000174493787
                   +1 :               0.00008591545121
                3s
                   +0 :              -0.00049092815803
                4s
                   +0 :               0.00009917654247
                3p
                   -1 :              -0.00002288070492
                   +0 :               0.00037191967378
                   +1 :              -0.00048666183198
                4p
                   -1 :               0.00007011740770
                   +0 :              -0.00004702968310
                   +1 :               0.00005761013325
                3d
                   -2 :               0.00008887287676
                   -1 :              -0.00004207731574
                   +0 :               0.00011943321642
                   +1 :               0.00008730160331
                   +2 :              -0.00006720283297
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al(  9)  npairs=  14
              1 vec=    -2.593388     -1.739555     -1.580453   |vec|=    3.499934
                2s
                   +0 :              -0.03721530594922
                2p
                   -1 :               0.02259992931954
                   +0 :               0.02332235720142
                   +1 :               0.02774132922769
                3s
                   +0 :              -0.09409113416907
                4s
                   +0 :              -0.01365695751923
                3p
                   -1 :               0.06658869076542
                   +0 :               0.04789201558758
                   +1 :               0.02154863481135
                4p
                   -1 :               0.00871038803693
                   +0 :               0.00977107177728
                   +1 :               0.01809241932838
                3d
                   -2 :              -0.03689211723636
                   -1 :              -0.03724248690887
                   +0 :              -0.00318900865145
                   +1 :              -0.03386890465438
                   +2 :               0.01200832922840
              2 vec=     5.186775      2.752324     -1.580453   |vec|=    6.080769
                2s
                   +0 :              -0.00403483793979
                2p
                   -1 :              -0.00193154755319
                   +0 :               0.00154115901887
                   +1 :              -0.00039945531584
                3s
                   +0 :               0.00765981391178
                4s
                   +0 :              -0.00486807905062
                3p
                   -1 :               0.01171928469551
                   +0 :              -0.00871330272166
                   +1 :              -0.00629317498341
                4p
                   -1 :              -0.00305553483471
                   +0 :               0.00302754899939
                   +1 :               0.00030154928757
                3d
                   -2 :               0.00190877104950
                   -1 :              -0.00155895955373
                   +0 :              -0.00354197441490
                   +1 :              -0.00126613880641
                   +2 :               0.00080112181700
              3 vec=    -2.593388      7.244203     -1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00055773560029
                2p
                   -1 :               0.00022004585855
                   +0 :              -0.00109695497326
                   +1 :              -0.00003310817732
                3s
                   +0 :              -0.01572771572374
                4s
                   +0 :               0.00073982643615
                3p
                   -1 :              -0.00838084022787
                   +0 :               0.01324846318274
                   +1 :              -0.00064094348081
                4p
                   -1 :              -0.00014467788499
                   +0 :              -0.00145021284078
                   +1 :              -0.00036737737597
                3d
                   -2 :              -0.00095944419921
                   -1 :               0.00522679836115
                   +0 :              -0.00105316543334
                   +1 :              -0.00054230191676
                   +2 :               0.00150194011807
              4 vec=     5.186775     -6.231434     -1.580453   |vec|=    8.260220
                2s
                   +0 :              -0.00097098613713
                2p
                   -1 :              -0.00069688038974
                   +0 :               0.00036957655833
                   +1 :              -0.00014780914488
                3s
                   +0 :               0.01036480596088
                4s
                   +0 :              -0.00134106120601
                3p
                   -1 :               0.00678885258035
                   +0 :              -0.00550488036603
                   +1 :               0.00577599488968
                4p
                   -1 :              -0.00060580483244
                   +0 :               0.00079038747764
                   +1 :              -0.00080038158904
                3d
                   -2 :               0.00347236255811
                   -1 :              -0.00159273630917
                   +0 :               0.00042157537803
                   +1 :              -0.00153441350506
                   +2 :               0.00205838287026
              5 vec=   -10.373550      2.752324     -1.580453   |vec|=   10.848210
                2s
                   +0 :               0.00028259862155
                2p
                   -1 :              -0.00004626430222
                   +0 :               0.00002991353318
                   +1 :              -0.00038006720789
                3s
                   +0 :              -0.00248418012404
                4s
                   +0 :               0.00079819937727
                3p
                   -1 :              -0.00038252374054
                   +0 :               0.00105705676384
                   +1 :               0.00189780313572
                4p
                   -1 :              -0.00007217512253
                   +0 :              -0.00045944391546
                   +1 :              -0.00063846507376
                3d
                   -2 :               0.00008463571255
                   -1 :               0.00007363394554
                   +0 :              -0.00014154815371
                   +1 :              -0.00027145271364
                   +2 :              -0.00082400458635
              6 vec=    -2.593388    -10.723313     -1.580453   |vec|=   11.145086
                2s
                   +0 :              -0.00087645798342
                2p
                   -1 :               0.00026064503622
                   +0 :              -0.00000155857634
                   +1 :               0.00029716516571
                3s
                   +0 :               0.00418874539416
                4s
                   +0 :              -0.00013008012160
                3p
                   -1 :              -0.00138252207546
                   +0 :              -0.00080413111331
                   +1 :              -0.00252490481893
                4p
                   -1 :              -0.00014712521803
                   +0 :              -0.00002925310944
                   +1 :               0.00027155100093
                3d
                   -2 :               0.00077018743506
                   -1 :               0.00001275606728
                   +0 :               0.00050762334124
                   +1 :               0.00061853727057
                   +2 :              -0.00010370803430
              7 vec=   -10.373550     -6.231434     -1.580453   |vec|=   12.204063
                2s
                   +0 :               0.00007995092201
                2p
                   -1 :              -0.00004918892322
                   +0 :              -0.00001037390703
                   +1 :               0.00012830117022
                3s
                   +0 :              -0.00153416648487
                4s
                   +0 :               0.00015675888212
                3p
                   -1 :               0.00046460673138
                   +0 :               0.00095612891401
                   +1 :               0.00034186377060
                4p
                   -1 :              -0.00027411606911
                   +0 :              -0.00009375651275
                   +1 :               0.00010194231394
                3d
                   -2 :               0.00007091539649
                   -1 :              -0.00001220898115
                   +0 :              -0.00008909818964
                   +1 :              -0.00025721913615
                   +2 :              -0.00017409648789
              8 vec=     5.186775     11.736082     -1.580453   |vec|=   12.928112
                2s
                   +0 :              -0.00005947645589
                2p
                   -1 :               0.00000942443562
                   +0 :              -0.00004790154282
                   +1 :               0.00012207961880
                3s
                   +0 :               0.00130083938140
                4s
                   +0 :              -0.00020934939699
                3p
                   -1 :               0.00070913424096
                   +0 :              -0.00026688031009
                   +1 :              -0.00107947360586
                4p
                   -1 :              -0.00006401989019
                   +0 :              -0.00001616979370
                   +1 :               0.00015883009162
                3d
                   -2 :              -0.00029238541010
                   -1 :              -0.00014978239117
                   +0 :               0.00011359478998
                   +1 :               0.00021513145920
                   +2 :              -0.00011156444514
              9 vec=    12.966938     -1.739555     -1.580453   |vec|=   13.178215
                2s
                   +0 :              -0.00068650823169
                2p
                   -1 :              -0.00009852662617
                   +0 :               0.00024570322839
                   +1 :              -0.00026647271669
                3s
                   +0 :               0.00498139542180
                4s
                   +0 :              -0.00039863231380
                3p
                   -1 :              -0.00068062337306
                   +0 :              -0.00321117998202
                   +1 :               0.00212900037980
                4p
                   -1 :              -0.00018379041857
                   +0 :               0.00043035780174
                   +1 :              -0.00009353738225
                3d
                   -2 :              -0.00031815038282
                   -1 :               0.00048946411594
                   +0 :               0.00032940778486
                   +1 :              -0.00100273132992
                   +2 :               0.00010363276411
             10 vec=    12.966938      7.244203     -1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00021470200265
                2p
                   -1 :               0.00002322719956
                   +0 :              -0.00001544519277
                   +1 :              -0.00003411898306
                3s
                   +0 :               0.00142563662809
                4s
                   +0 :              -0.00020921598990
                3p
                   -1 :              -0.00015851942243
                   +0 :              -0.00006732983979
                   +1 :               0.00023879812455
                4p
                   -1 :               0.00002755761051
                   +0 :              -0.00000122976392
                   +1 :              -0.00000639922001
                3d
                   -2 :              -0.00004141780394
                   -1 :               0.00001933741240
                   +0 :               0.00008999086430
                   +1 :               0.00004456014395
                   +2 :               0.00003812921555
             11 vec=   -10.373550     11.736082     -1.580453   |vec|=   15.743062
                2s
                   +0 :               0.00010691810631
                2p
                   -1 :              -0.00003111656799
                   +0 :              -0.00001234852363
                   +1 :              -0.00007876427105
                3s
                   +0 :              -0.00071385739765
                4s
                   +0 :               0.00015145009045
                3p
                   -1 :               0.00011418935106
                   +0 :               0.00016634549067
                   +1 :               0.00059550959346
                4p
                   -1 :              -0.00001736921827
                   +0 :              -0.00008577811989
                   +1 :              -0.00013394670274
                3d
                   -2 :               0.00009978435120
                   -1 :               0.00001688423188
                   +0 :               0.00005032656249
                   +1 :              -0.00002237857771
                   +2 :              -0.00004512388309
             12 vec=     5.186775    -15.215192     -1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00001818681311
                2p
                   -1 :               0.00000812253935
                   +0 :               0.00001474791081
                   +1 :              -0.00000738148735
                3s
                   +0 :               0.00005697521658
                4s
                   +0 :               0.00002913264347
                3p
                   -1 :              -0.00002085208408
                   +0 :              -0.00017566570924
                   +1 :              -0.00010492113903
                4p
                   -1 :              -0.00005060293567
                   +0 :               0.00005943969950
                   +1 :              -0.00003740525515
                3d
                   -2 :              -0.00006199911133
                   -1 :               0.00006530052845
                   +0 :               0.00002838680559
                   +1 :               0.00001093181419
                   +2 :              -0.00011055229947
             13 vec=    -2.593388     16.227961     -1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00005248392447
                2p
                   -1 :              -0.00001448599442
                   +0 :              -0.00000463020285
                   +1 :               0.00000147147208
                3s
                   +0 :               0.00017631733879
                4s
                   +0 :              -0.00002871257150
                3p
                   -1 :               0.00010363475770
                   +0 :              -0.00000745303459
                   +1 :               0.00000944194493
                4p
                   -1 :               0.00000195471623
                   +0 :              -0.00000305737587
                   +1 :               0.00000877296396
                3d
                   -2 :               0.00000248232294
                   -1 :              -0.00003555691015
                   +0 :               0.00000255137514
                   +1 :              -0.00001341752223
                   +2 :               0.00000156898776
             14 vec=    12.966938    -10.723313     -1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00005760205600
                2p
                   -1 :              -0.00002505871661
                   +0 :              -0.00001584930897
                   +1 :              -0.00001161253634
                3s
                   +0 :               0.00037024263969
                4s
                   +0 :              -0.00011788110353
                3p
                   -1 :               0.00010140473009
                   +0 :               0.00001511464220
                   +1 :               0.00002310159260
                4p
                   -1 :              -0.00005067312140
                   +0 :              -0.00004534487694
                   +1 :              -0.00004781127931
                3d
                   -2 :               0.00002179065873
                   -1 :               0.00000892674576
                   +0 :               0.00004166387398
                   +1 :              -0.00005944946272
                   +2 :              -0.00001996807549
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al( 10)  npairs=  14
              1 vec=    -2.593388     -1.739555      5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00126992731102
                2p
                   -1 :              -0.00067909240774
                   +0 :               0.00143659154257
                   +1 :              -0.00015559808919
                3s
                   +0 :              -0.00182351021249
                4s
                   +0 :               0.00356066879775
                3p
                   -1 :               0.00553204260085
                   +0 :              -0.01223781803446
                   +1 :               0.00009920214357
                4p
                   -1 :              -0.00075336577934
                   +0 :               0.00463674782747
                   +1 :              -0.00044264772438
                3d
                   -2 :              -0.00183158144633
                   -1 :              -0.00090233602023
                   +0 :              -0.00355785097359
                   +1 :               0.00245550256097
                   +2 :              -0.00108765391811
              2 vec=     5.186775      2.752324      5.671873   |vec|=    8.163827
                2s
                   +0 :               0.00016712224553
                2p
                   -1 :               0.00087039124726
                   +0 :              -0.00019841672437
                   +1 :              -0.00016285496694
                3s
                   +0 :               0.00917792457740
                4s
                   +0 :              -0.00000677740954
                3p
                   -1 :              -0.00351463161393
                   +0 :              -0.00066888792467
                   +1 :               0.00727889824040
                4p
                   -1 :               0.00148326224428
                   +0 :              -0.00018545885030
                   +1 :              -0.00033050232758
                3d
                   -2 :               0.00012978995594
                   -1 :              -0.00117902482581
                   +0 :              -0.00209175132817
                   +1 :              -0.00060415309421
                   +2 :               0.00207923187307
              3 vec=    -2.593388      7.244203      5.671873   |vec|=    9.558990
                2s
                   +0 :              -0.00129566051432
                2p
                   -1 :              -0.00046366203463
                   +0 :              -0.00052575774253
                   +1 :               0.00035002002711
                3s
                   +0 :               0.00515044960620
                4s
                   +0 :              -0.00114240690779
                3p
                   -1 :               0.00296058028802
                   +0 :               0.00141061204612
                   +1 :              -0.00148399865371
                4p
                   -1 :              -0.00073227199275
                   +0 :               0.00008254237139
                   +1 :               0.00010256122526
                3d
                   -2 :              -0.00013300780656
                   -1 :               0.00045227499834
                   +0 :              -0.00055097528067
                   +1 :              -0.00030123755658
                   +2 :               0.00034631707746
              4 vec=     5.186775     -6.231434      5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00082542945390
                2p
                   -1 :              -0.00019241343776
                   +0 :              -0.00020787100425
                   +1 :              -0.00026633653836
                3s
                   +0 :              -0.00928102805997
                4s
                   +0 :               0.00108990898216
                3p
                   -1 :               0.00598264883384
                   +0 :               0.00200936415456
                   +1 :               0.00450437744237
                4p
                   -1 :              -0.00054568579017
                   +0 :               0.00014646336380
                   +1 :               0.00013452413008
                3d
                   -2 :              -0.00205508156657
                   -1 :              -0.00131898633494
                   +0 :               0.00160890177837
                   +1 :               0.00055865801781
                   +2 :               0.00042692583472
              5 vec=   -10.373550      2.752324      5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00026591533896
                2p
                   -1 :              -0.00029168376478
                   +0 :              -0.00010546920280
                   +1 :               0.00002350578923
                3s
                   +0 :              -0.00047780532506
                4s
                   +0 :              -0.00023758940254
                3p
                   -1 :               0.00113669562152
                   +0 :              -0.00018312253285
                   +1 :               0.00059732086807
                4p
                   -1 :              -0.00051034267611
                   +0 :               0.00001143829345
                   +1 :              -0.00008853739004
                3d
                   -2 :               0.00000550531510
                   -1 :               0.00006864203261
                   +0 :               0.00002314080089
                   +1 :               0.00012617113057
                   +2 :              -0.00031086534417
              6 vec=    -2.593388    -10.723313      5.671873   |vec|=   12.405049
                2s
                   +0 :               0.00004176207786
                2p
                   -1 :              -0.00011302389595
                   +0 :              -0.00002314703963
                   +1 :               0.00005088838472
                3s
                   +0 :               0.00038651835034
                4s
                   +0 :              -0.00014411644237
                3p
                   -1 :               0.00033751173422
                   +0 :               0.00100922675377
                   +1 :               0.00015049292682
                4p
                   -1 :              -0.00002673956324
                   +0 :              -0.00026295152350
                   +1 :               0.00014123444720
                3d
                   -2 :              -0.00008466244891
                   -1 :              -0.00009159776764
                   +0 :               0.00022579311518
                   +1 :               0.00000307346812
                   +2 :               0.00024846565634
              7 vec=   -10.373550     -6.231434      5.671873   |vec|=   13.364560
                2s
                   +0 :              -0.00013186989053
                2p
                   -1 :               0.00002695106620
                   +0 :               0.00005953154201
                   +1 :              -0.00006430951480
                3s
                   +0 :               0.00027374447798
                4s
                   +0 :              -0.00018592966296
                3p
                   -1 :               0.00009794176799
                   +0 :              -0.00053068011421
                   +1 :               0.00025814285440
                4p
                   -1 :               0.00001196377605
                   +0 :               0.00013286166386
                   +1 :              -0.00000266248027
                3d
                   -2 :               0.00002992839559
                   -1 :               0.00009571503462
                   +0 :              -0.00004150042839
                   +1 :               0.00014578503065
                   +2 :              -0.00017798569895
              8 vec=     5.186775     11.736082      5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00011964734559
                2p
                   -1 :              -0.00003272531475
                   +0 :              -0.00008715211876
                   +1 :               0.00005488727710
                3s
                   +0 :               0.00022760084646
                4s
                   +0 :              -0.00019564727987
                3p
                   -1 :               0.00045293122417
                   +0 :               0.00058194546719
                   +1 :              -0.00066706132258
                4p
                   -1 :              -0.00009187680977
                   +0 :              -0.00026322367260
                   +1 :               0.00003407569706
                3d
                   -2 :               0.00002042405489
                   -1 :               0.00005065230134
                   +0 :               0.00013979095034
                   +1 :               0.00015885270629
                   +2 :              -0.00022768082119
              9 vec=    12.966938     -1.739555      5.671873   |vec|=   14.259652
                2s
                   +0 :               0.00026160973892
                2p
                   -1 :              -0.00004903683039
                   +0 :               0.00017007818461
                   +1 :               0.00004963432163
                3s
                   +0 :              -0.00193618787341
                4s
                   +0 :               0.00009701203815
                3p
                   -1 :              -0.00067425499505
                   +0 :              -0.00125546120425
                   +1 :              -0.00020739602459
                4p
                   -1 :               0.00003979714540
                   +0 :               0.00002685792185
                   +1 :              -0.00004313308937
                3d
                   -2 :               0.00000949750842
                   -1 :              -0.00016411265117
                   +0 :              -0.00005047836046
                   +1 :              -0.00036457136676
                   +2 :               0.00011888875354
             10 vec=    12.966938      7.244203      5.671873   |vec|=   15.899374
                2s
                   +0 :               0.00013413796036
                2p
                   -1 :               0.00006160014185
                   +0 :               0.00003851002684
                   +1 :               0.00008476383007
                3s
                   +0 :              -0.00037951703158
                4s
                   +0 :               0.00012917435654
                3p
                   -1 :              -0.00028604502999
                   +0 :              -0.00009235959733
                   +1 :              -0.00049714165017
                4p
                   -1 :               0.00008197338510
                   +0 :              -0.00000683187134
                   +1 :               0.00011071568091
                3d
                   -2 :              -0.00010254105420
                   -1 :              -0.00001932944294
                   +0 :               0.00002927879634
                   +1 :              -0.00009074948655
                   +2 :              -0.00007020372004
             11 vec=   -10.373550     11.736082      5.671873   |vec|=   16.658821
                2s
                   +0 :              -0.00005201549393
                2p
                   -1 :              -0.00000703814312
                   +0 :              -0.00000077266689
                   +1 :               0.00000465660961
                3s
                   +0 :              -0.00014049299978
                4s
                   +0 :              -0.00008568179582
                3p
                   -1 :               0.00002724851924
                   +0 :              -0.00004050120100
                   +1 :               0.00021331314044
                4p
                   -1 :              -0.00006814245097
                   +0 :              -0.00002115920535
                   +1 :              -0.00001707873316
                3d
                   -2 :               0.00005964827106
                   -1 :              -0.00001319630979
                   +0 :              -0.00000290529126
                   +1 :               0.00001232811059
                   +2 :               0.00000524255916
             12 vec=     5.186775    -15.215192      5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00001610199853
                2p
                   -1 :              -0.00002765413682
                   +0 :               0.00001986001963
                   +1 :               0.00002106364349
                3s
                   +0 :               0.00033819081274
                4s
                   +0 :               0.00007255882426
                3p
                   -1 :              -0.00005595545798
                   +0 :              -0.00002404732451
                   +1 :              -0.00017773472693
                4p
                   -1 :              -0.00008163474904
                   +0 :               0.00000855474910
                   +1 :               0.00003845301013
                3d
                   -2 :               0.00002640045121
                   -1 :               0.00005199566818
                   +0 :              -0.00003875675190
                   +1 :              -0.00005457337113
                   +2 :              -0.00002779273139
             13 vec=    -2.593388     16.227961      5.671873   |vec|=   17.385124
                2s
                   +0 :               0.00006337522427
                2p
                   -1 :               0.00002245174324
                   +0 :               0.00000060415104
                   +1 :              -0.00004425489005
                3s
                   +0 :              -0.00019779693761
                4s
                   +0 :               0.00001259595746
                3p
                   -1 :              -0.00008941061306
                   +0 :              -0.00010193561988
                   +1 :               0.00037376616572
                4p
                   -1 :              -0.00000436504803
                   +0 :               0.00000247308034
                   +1 :              -0.00006708112388
                3d
                   -2 :               0.00001722051236
                   -1 :              -0.00003707334277
                   +0 :              -0.00001975171497
                   +1 :               0.00002079923445
                   +2 :               0.00002179899841
             14 vec=    12.966938    -10.723313      5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00020962181833
                2p
                   -1 :               0.00000850512398
                   +0 :              -0.00000594863476
                   +1 :               0.00005561799844
                3s
                   +0 :              -0.00140698380326
                4s
                   +0 :               0.00027246760146
                3p
                   -1 :               0.00028067920008
                   +0 :               0.00001934442797
                   +1 :              -0.00052802526074
                4p
                   -1 :              -0.00003122644738
                   +0 :               0.00003055988744
                   +1 :               0.00012269233263
                3d
                   -2 :               0.00008900754561
                   -1 :               0.00005941514788
                   +0 :              -0.00004490799789
                   +1 :               0.00007911795917
                   +2 :              -0.00006544090432
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al( 11)  npairs=  13
              1 vec=    -2.593388     -1.739555     -6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00113873541127
                2p
                   -1 :              -0.00043353546958
                   +0 :              -0.00094679192913
                   +1 :              -0.00004489903335
                3s
                   +0 :              -0.00682952939027
                4s
                   +0 :               0.00227743716910
                3p
                   -1 :               0.00818557085497
                   +0 :               0.00204653755297
                   +1 :               0.00001470303648
                4p
                   -1 :              -0.00103529802071
                   +0 :              -0.00137848805435
                   +1 :              -0.00121215142327
                3d
                   -2 :              -0.00068412107226
                   -1 :              -0.00099512724015
                   +0 :               0.00114179715462
                   +1 :               0.00177996887281
                   +2 :               0.00199261637774
              2 vec=     5.186775      2.752324     -6.601898   |vec|=    8.835326
                2s
                   +0 :              -0.00169129961938
                2p
                   -1 :               0.00023380890345
                   +0 :               0.00014188215783
                   +1 :              -0.00004279472151
                3s
                   +0 :               0.01772251667629
                4s
                   +0 :              -0.00268090972131
                3p
                   -1 :               0.00187108340395
                   +0 :              -0.00785344049033
                   +1 :               0.00556797779446
                4p
                   -1 :               0.00058303505930
                   +0 :               0.00056532672550
                   +1 :              -0.00027648297485
                3d
                   -2 :               0.00143765027209
                   -1 :              -0.00097250850039
                   +0 :               0.00041616075248
                   +1 :              -0.00228910514111
                   +2 :               0.00156036583792
              3 vec=    -2.593388      7.244203     -6.601898   |vec|=   10.138500
                2s
                   +0 :              -0.00078592551419
                2p
                   -1 :              -0.00043630598798
                   +0 :               0.00048377791405
                   +1 :               0.00018190663386
                3s
                   +0 :               0.00229382715314
                4s
                   +0 :              -0.00126685034439
                3p
                   -1 :               0.00194412232343
                   +0 :              -0.00345537268484
                   +1 :              -0.00121673925872
                4p
                   -1 :              -0.00073379719383
                   +0 :               0.00080825942698
                   +1 :               0.00029370835032
                3d
                   -2 :              -0.00041313806626
                   -1 :              -0.00074538071636
                   +0 :              -0.00039572882128
                   +1 :               0.00022398934602
                   +2 :              -0.00040393346260
              4 vec=     5.186775     -6.231434     -6.601898   |vec|=   10.455547
                2s
                   +0 :              -0.00134201176270
                2p
                   -1 :               0.00045749458681
                   +0 :               0.00022155750235
                   +1 :              -0.00037398946209
                3s
                   +0 :               0.00651749428171
                4s
                   +0 :              -0.00186971838920
                3p
                   -1 :              -0.00276691133215
                   +0 :              -0.00226421481487
                   +1 :               0.00288870710856
                4p
                   -1 :               0.00083183207719
                   +0 :               0.00051525324720
                   +1 :              -0.00065755915108
                3d
                   -2 :              -0.00017804215471
                   -1 :               0.00078695690412
                   +0 :              -0.00010602203849
                   +1 :              -0.00012670211539
                   +2 :              -0.00028050613186
              5 vec=   -10.373550      2.752324     -6.601898   |vec|=   12.600432
                2s
                   +0 :              -0.00008844129920
                2p
                   -1 :              -0.00008478651216
                   +0 :               0.00001310313896
                   +1 :               0.00026515888552
                3s
                   +0 :              -0.00100577719942
                4s
                   +0 :               0.00011638949293
                3p
                   -1 :              -0.00008742268313
                   +0 :               0.00055185189818
                   +1 :              -0.00095607667973
                4p
                   -1 :              -0.00000753502288
                   +0 :              -0.00003334604255
                   +1 :               0.00035595653033
                3d
                   -2 :              -0.00000669185645
                   -1 :               0.00006140935582
                   +0 :              -0.00027233442948
                   +1 :              -0.00007697079312
                   +2 :              -0.00008066964754
              6 vec=    -2.593388    -10.723313     -6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00001136485225
                2p
                   -1 :               0.00004841281003
                   +0 :               0.00016121210363
                   +1 :               0.00000079927197
                3s
                   +0 :              -0.00018619918072
                4s
                   +0 :              -0.00005651244078
                3p
                   -1 :               0.00006848294220
                   +0 :              -0.00028884817150
                   +1 :              -0.00011602539214
                4p
                   -1 :               0.00003591124923
                   +0 :               0.00008637542309
                   +1 :               0.00001176868921
                3d
                   -2 :              -0.00002784784655
                   -1 :               0.00011491807947
                   +0 :               0.00026328208319
                   +1 :              -0.00000334127681
                   +2 :               0.00017049062770
              7 vec=   -10.373550     -6.231434     -6.601898   |vec|=   13.785005
                2s
                   +0 :               0.00009559431257
                2p
                   -1 :              -0.00028327982794
                   +0 :              -0.00002336530274
                   +1 :              -0.00000280747199
                3s
                   +0 :              -0.00100260959536
                4s
                   +0 :               0.00054821600708
                3p
                   -1 :               0.00144051912203
                   +0 :               0.00023747132571
                   +1 :               0.00064878922270
                4p
                   -1 :              -0.00043203564842
                   +0 :              -0.00016419685505
                   +1 :              -0.00040481118061
                3d
                   -2 :              -0.00006149771419
                   -1 :              -0.00009786155815
                   +0 :               0.00004526615989
                   +1 :               0.00002690917824
                   +2 :              -0.00018752845801
              8 vec=     5.186775     11.736082     -6.601898   |vec|=   14.429945
                2s
                   +0 :              -0.00012176315625
                2p
                   -1 :               0.00003695424268
                   +0 :               0.00007057899179
                   +1 :              -0.00008591515846
                3s
                   +0 :               0.00038631700701
                4s
                   +0 :               0.00003258853359
                3p
                   -1 :              -0.00034565371712
                   +0 :              -0.00026077001738
                   +1 :               0.00022451221564
                4p
                   -1 :               0.00021885998267
                   +0 :               0.00001958303119
                   +1 :              -0.00004486824136
                3d
                   -2 :              -0.00007580481322
                   -1 :               0.00000312022953
                   +0 :               0.00003579599165
                   +1 :              -0.00007950354021
                   +2 :               0.00011515539490
              9 vec=    12.966938     -1.739555     -6.601898   |vec|=   14.654439
                2s
                   +0 :               0.00001272175896
                2p
                   -1 :               0.00004288414239
                   +0 :              -0.00002874483071
                   +1 :               0.00004966072949
                3s
                   +0 :               0.00057657695933
                4s
                   +0 :              -0.00017574023332
                3p
                   -1 :              -0.00029246187169
                   +0 :               0.00010690560198
                   +1 :              -0.00014798990286
                4p
                   -1 :               0.00010095624691
                   +0 :               0.00003035326069
                   +1 :               0.00002256467358
                3d
                   -2 :              -0.00006864715320
                   -1 :              -0.00000565297635
                   +0 :               0.00017763434550
                   +1 :               0.00005787486534
                   +2 :              -0.00003674427373
             10 vec=    12.966938      7.244203     -6.601898   |vec|=   16.254384
                2s
                   +0 :              -0.00024632637433
                2p
                   -1 :              -0.00000769588334
                   +0 :               0.00005637530454
                   +1 :              -0.00007703983793
                3s
                   +0 :               0.00106518926236
                4s
                   +0 :              -0.00020107809549
                3p
                   -1 :              -0.00003893801986
                   +0 :              -0.00029402591907
                   +1 :               0.00037408919980
                4p
                   -1 :               0.00004137169737
                   +0 :               0.00005430494476
                   +1 :              -0.00004925444409
                3d
                   -2 :              -0.00000022017820
                   -1 :              -0.00002585755846
                   +0 :               0.00006925738239
                   +1 :              -0.00006290550423
                   +2 :               0.00004965957710
             11 vec=   -10.373550     11.736082     -6.601898   |vec|=   16.997977
                2s
                   +0 :               0.00009812711844
                2p
                   -1 :               0.00001133053917
                   +0 :              -0.00002824842306
                   +1 :              -0.00003356434911
                3s
                   +0 :              -0.00077905818888
                4s
                   +0 :               0.00014022573238
                3p
                   -1 :              -0.00012911384612
                   +0 :               0.00028435911481
                   +1 :               0.00028249207222
                4p
                   -1 :               0.00001999534688
                   +0 :              -0.00003882938716
                   +1 :              -0.00003555410609
                3d
                   -2 :               0.00003176319147
                   -1 :               0.00002376847391
                   +0 :              -0.00000696981147
                   +1 :              -0.00006354926284
                   +2 :              -0.00002519710758
             12 vec=     5.186775    -15.215192     -6.601898   |vec|=   17.377853
                2s
                   +0 :               0.00000283689909
                2p
                   -1 :              -0.00002253414783
                   +0 :              -0.00002864431284
                   +1 :               0.00002138626975
                3s
                   +0 :               0.00028927765179
                4s
                   +0 :              -0.00002195566624
                3p
                   -1 :               0.00000654145131
                   +0 :               0.00009323911822
                   +1 :              -0.00015363995750
                4p
                   -1 :              -0.00001602249341
                   +0 :              -0.00003744817364
                   +1 :               0.00003926600561
                3d
                   -2 :              -0.00002235230231
                   -1 :              -0.00002523323492
                   +0 :               0.00001733667786
                   +1 :               0.00000310726027
                   +2 :              -0.00003040354491
             13 vec=    -2.593388     16.227961     -6.601898   |vec|=   17.710376
                2s
                   +0 :               0.00000923441618
                2p
                   -1 :              -0.00001409942196
                   +0 :              -0.00000024149928
                   +1 :               0.00000699660618
                3s
                   +0 :              -0.00007379998063
                4s
                   +0 :              -0.00002363405321
                3p
                   -1 :               0.00011005487476
                   +0 :              -0.00002660009381
                   +1 :              -0.00001290698147
                4p
                   -1 :              -0.00005587076597
                   +0 :               0.00001958980084
                   +1 :              -0.00002113278151
                3d
                   -2 :               0.00001345872448
                   -1 :               0.00001106282054
                   +0 :              -0.00000702164511
                   +1 :               0.00001762349549
                   +2 :              -0.00001854769579
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site Al( 12)  npairs=  15
              1 vec=    -2.593388     -1.739555     10.693319   |vec|=   11.139963
                2s
                   +0 :              -0.00103172061574
                2p
                   -1 :              -0.00025702204308
                   +0 :              -0.00029364902434
                   +1 :              -0.00004053450605
                3s
                   +0 :               0.00427268705764
                4s
                   +0 :              -0.00091243124105
                3p
                   -1 :               0.00148738281309
                   +0 :               0.00168102015532
                   +1 :              -0.00054573607908
                4p
                   -1 :              -0.00022835300079
                   +0 :              -0.00026935770814
                   +1 :              -0.00009574654505
                3d
                   -2 :               0.00037432209709
                   -1 :               0.00006323397683
                   +0 :              -0.00037411711366
                   +1 :              -0.00028812313049
                   +2 :              -0.00034814811471
              2 vec=     5.186775      2.752324     10.693319   |vec|=   12.199385
                2s
                   +0 :              -0.00009483425431
                2p
                   -1 :               0.00044183061618
                   +0 :               0.00000302200816
                   +1 :              -0.00020304789312
                3s
                   +0 :              -0.00082751217429
                4s
                   +0 :              -0.00010863464575
                3p
                   -1 :              -0.00361343654292
                   +0 :              -0.00128691377100
                   +1 :               0.00120790618256
                4p
                   -1 :               0.00062383988972
                   +0 :               0.00007110707813
                   +1 :              -0.00017554574095
                3d
                   -2 :              -0.00051124471096
                   -1 :              -0.00092799075669
                   +0 :              -0.00068293889305
                   +1 :               0.00008351381180
                   +2 :               0.00010650786091
              3 vec=    -2.593388      7.244203     10.693319   |vec|=   13.173883
                2s
                   +0 :              -0.00011856348331
                2p
                   -1 :              -0.00015525017715
                   +0 :              -0.00008644038597
                   +1 :               0.00011238198579
                3s
                   +0 :              -0.00103863254645
                4s
                   +0 :               0.00009192567244
                3p
                   -1 :              -0.00027452768451
                   +0 :              -0.00086709025539
                   +1 :              -0.00047449977679
                4p
                   -1 :              -0.00005547153346
                   +0 :               0.00004155038569
                   +1 :               0.00016020998021
                3d
                   -2 :              -0.00000143460267
                   -1 :              -0.00022552721963
                   +0 :               0.00000837424124
                   +1 :               0.00002279210224
                   +2 :               0.00015156561654
              4 vec=     5.186775     -6.231434     10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00014500581033
                2p
                   -1 :               0.00001518007248
                   +0 :              -0.00002959518553
                   +1 :              -0.00045648626827
                3s
                   +0 :              -0.00029047253591
                4s
                   +0 :               0.00035686826669
                3p
                   -1 :              -0.00034624406399
                   +0 :               0.00081534341727
                   +1 :               0.00386284741762
                4p
                   -1 :               0.00015092189216
                   +0 :              -0.00007034645777
                   +1 :              -0.00052040737364
                3d
                   -2 :              -0.00039596718647
                   -1 :              -0.00019942320264
                   +0 :               0.00056795483288
                   +1 :               0.00070089919499
                   +2 :              -0.00041508726361
              5 vec=    -2.593388     -1.739555    -13.854224   |vec|=   14.201804
                2s
                   +0 :              -0.00007910859142
                2p
                   -1 :               0.00000431805991
                   +0 :              -0.00003178316053
                   +1 :               0.00007730587357
                3s
                   +0 :              -0.00016057578257
                4s
                   +0 :               0.00005905431179
                3p
                   -1 :               0.00002143704351
                   +0 :               0.00028937981107
                   +1 :              -0.00048050174158
                4p
                   -1 :              -0.00000881775664
                   +0 :              -0.00011951060980
                   +1 :               0.00013773563527
                3d
                   -2 :              -0.00001527730681
                   -1 :              -0.00002056133908
                   +0 :              -0.00002796443844
                   +1 :              -0.00003829663145
                   +2 :              -0.00002743328318
              6 vec=     5.186775      2.752324    -13.854224   |vec|=   15.047174
                2s
                   +0 :               0.00004548267442
                2p
                   -1 :               0.00000591294148
                   +0 :               0.00001450849228
                   +1 :              -0.00001311692188
                3s
                   +0 :              -0.00017288537637
                4s
                   +0 :              -0.00003365288131
                3p
                   -1 :              -0.00007922654221
                   +0 :              -0.00005641531144
                   +1 :              -0.00014052457966
                4p
                   -1 :              -0.00001004244296
                   +0 :               0.00006315026732
                   +1 :              -0.00002778245311
                3d
                   -2 :              -0.00001602433233
                   -1 :              -0.00002395884860
                   +0 :               0.00001195749545
                   +1 :               0.00002151195816
                   +2 :              -0.00007307539177
              7 vec=   -10.373550      2.752324     10.693319   |vec|=   15.150343
                2s
                   +0 :              -0.00007390534978
                2p
                   -1 :               0.00004888367286
                   +0 :              -0.00007618748634
                   +1 :               0.00002165340256
                3s
                   +0 :               0.00003878456463
                4s
                   +0 :              -0.00008779027370
                3p
                   -1 :               0.00005022794971
                   +0 :               0.00020944337515
                   +1 :              -0.00004933475706
                4p
                   -1 :              -0.00001425666894
                   +0 :              -0.00005384215637
                   +1 :               0.00004104068662
                3d
                   -2 :              -0.00004809854058
                   -1 :               0.00008846642454
                   +0 :               0.00003723944705
                   +1 :              -0.00001624550488
                   +2 :               0.00002192827691
              8 vec=    -2.593388    -10.723313     10.693319   |vec|=   15.364315
                2s
                   +0 :              -0.00009639910646
                2p
                   -1 :               0.00004121385030
                   +0 :              -0.00000045747154
                   +1 :               0.00002014069732
                3s
                   +0 :               0.00095153959514
                4s
                   +0 :              -0.00028149195477
                3p
                   -1 :              -0.00055329230919
                   +0 :               0.00011599746332
                   +1 :              -0.00026646551057
                4p
                   -1 :               0.00018008143470
                   +0 :              -0.00003738207520
                   +1 :               0.00008488760333
                3d
                   -2 :               0.00005776601385
                   -1 :              -0.00004067474489
                   +0 :               0.00003025478076
                   +1 :              -0.00004482857651
                   +2 :              -0.00002110317754
              9 vec=    -2.593388      7.244203    -13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00005827067460
                2p
                   -1 :               0.00001596977440
                   +0 :              -0.00008086171780
                   +1 :              -0.00000017525054
                3s
                   +0 :              -0.00028318534838
                4s
                   +0 :               0.00013970865871
                3p
                   -1 :               0.00003059728997
                   +0 :               0.00059517809245
                   +1 :              -0.00014293972352
                4p
                   -1 :               0.00000494442381
                   +0 :              -0.00020655679186
                   +1 :              -0.00001712597908
                3d
                   -2 :              -0.00008695021534
                   -1 :               0.00003943158824
                   +0 :              -0.00015107645424
                   +1 :               0.00001785847810
                   +2 :               0.00001032892231
             10 vec=     5.186775     -6.231434    -13.854224   |vec|=   16.052194
                2s
                   +0 :               0.00007019830728
                2p
                   -1 :               0.00000322460372
                   +0 :              -0.00003935388863
                   +1 :               0.00004256990853
                3s
                   +0 :               0.00016875968421
                4s
                   +0 :               0.00000561478515
                3p
                   -1 :              -0.00022864643664
                   +0 :               0.00006336693323
                   +1 :              -0.00017828695723
                4p
                   -1 :               0.00001474314862
                   +0 :               0.00001797299966
                   +1 :              -0.00000639619073
                3d
                   -2 :              -0.00000766239876
                   -1 :              -0.00004905823686
                   +0 :              -0.00006529896113
                   +1 :              -0.00001679202073
                   +2 :              -0.00004509439780
             11 vec=   -10.373550     -6.231434     10.693319   |vec|=   16.148943
                2s
                   +0 :              -0.00030177810538
                2p
                   -1 :               0.00006903621106
                   +0 :              -0.00012078081939
                   +1 :               0.00007204216287
                3s
                   +0 :               0.00102255284613
                4s
                   +0 :              -0.00030978695724
                3p
                   -1 :              -0.00026108730040
                   +0 :               0.00051007830769
                   +1 :              -0.00014464175604
                4p
                   -1 :               0.00004573525858
                   +0 :              -0.00013502376289
                   +1 :               0.00003892641674
                3d
                   -2 :               0.00004031293361
                   -1 :              -0.00005155004637
                   +0 :               0.00005183960795
                   +1 :              -0.00006352513833
                   +2 :              -0.00005738095744
             12 vec=     5.186775     11.736082     10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00004827632954
                2p
                   -1 :              -0.00005345476036
                   +0 :              -0.00004164046482
                   +1 :              -0.00001003435158
                3s
                   +0 :               0.00053785586812
                4s
                   +0 :              -0.00013025899373
                3p
                   -1 :               0.00042722819199
                   +0 :               0.00040300020946
                   +1 :              -0.00000814143055
                4p
                   -1 :              -0.00008171383459
                   +0 :              -0.00009390645905
                   +1 :              -0.00003874988750
                3d
                   -2 :               0.00007703689145
                   -1 :               0.00012173283442
                   +0 :               0.00013122935038
                   +1 :               0.00002670940744
                   +2 :              -0.00000684793899
             13 vec=    12.966938     -1.739555     10.693319   |vec|=   16.897177
                2s
                   +0 :               0.00014478185825
                2p
                   -1 :               0.00002351765429
                   +0 :              -0.00002757209296
                   +1 :               0.00000775787947
                3s
                   +0 :              -0.00103655090902
                4s
                   +0 :               0.00024059545976
                3p
                   -1 :              -0.00007810942246
                   +0 :               0.00027973509886
                   +1 :              -0.00031916845131
                4p
                   -1 :              -0.00000171028395
                   +0 :              -0.00005589618343
                   +1 :               0.00009952088131
                3d
                   -2 :               0.00006025339690
                   -1 :               0.00000061307181
                   +0 :              -0.00006826183628
                   +1 :               0.00005077725300
                   +2 :               0.00004373837006
             14 vec=   -10.373550      2.752324    -13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00012410742877
                2p
                   -1 :               0.00002517399381
                   +0 :              -0.00000232444115
                   +1 :              -0.00001949469072
                3s
                   +0 :              -0.00104990384648
                4s
                   +0 :               0.00010457185838
                3p
                   -1 :              -0.00036517009567
                   +0 :               0.00014197038403
                   +1 :               0.00043839904559
                4p
                   -1 :               0.00002818998864
                   +0 :              -0.00002939299159
                   +1 :              -0.00000368220575
                3d
                   -2 :               0.00014086547713
                   -1 :               0.00002593666948
                   +0 :               0.00008753016416
                   +1 :              -0.00001547898363
                   +2 :              -0.00001968142661
             15 vec=    -2.593388    -10.723313    -13.854224   |vec|=   17.710297
                2s
                   +0 :              -0.00009601622093
                2p
                   -1 :               0.00005588540156
                   +0 :              -0.00000004768197
                   +1 :               0.00000302319209
                3s
                   +0 :               0.00035038996420
                4s
                   +0 :              -0.00008200714759
                3p
                   -1 :              -0.00024112833131
                   +0 :              -0.00000661156455
                   +1 :              -0.00003277062085
                4p
                   -1 :               0.00004317594013
                   +0 :              -0.00000629132389
                   +1 :               0.00000488128389
                3d
                   -2 :               0.00001828068604
                   -1 :               0.00000196126770
                   +0 :              -0.00001789704887
                   +1 :              -0.00000701013396
                   +2 :              -0.00003408568803
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 13)  npairs=  14
              1 vec=    -2.802933      1.376012      4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00275591466198
                2s
                   +0 :              -0.04443930714577
                3s
                   +0 :               0.00467829349590
                2p
                   -1 :              -0.00665628869137
                   +0 :              -0.02177208919858
                   +1 :               0.00683283119527
                3p
                   -1 :              -0.00150793083745
                   +0 :              -0.00171766841997
                   +1 :               0.00053278375441
                3d
                   -2 :               0.00039336004561
                   -1 :              -0.00210879783670
                   +0 :              -0.00182985596176
                   +1 :               0.00074299985254
                   +2 :               0.00029719889831
              2 vec=     4.977229     -3.115867      4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00190039140527
                2s
                   +0 :              -0.00987870353735
                3s
                   +0 :               0.00074139483693
                2p
                   -1 :              -0.00167225745948
                   +0 :              -0.00094503647789
                   +1 :              -0.00058121031133
                3p
                   -1 :              -0.00118509197873
                   +0 :               0.00127511759031
                   +1 :              -0.00003241396523
                3d
                   -2 :               0.00029815065858
                   -1 :               0.00012827054819
                   +0 :              -0.00052617918574
                   +1 :              -0.00184287898252
                   +2 :              -0.00081783664952
              3 vec=     4.977229      5.867891      4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00025664983634
                2s
                   +0 :               0.00254921968994
                3s
                   +0 :              -0.00002509966999
                2p
                   -1 :               0.00343731029993
                   +0 :               0.00047814723336
                   +1 :              -0.00028925435305
                3p
                   -1 :              -0.00196732577520
                   +0 :              -0.00027568910254
                   +1 :               0.00060270058716
                3d
                   -2 :              -0.00000854081000
                   -1 :              -0.00011244656506
                   +0 :              -0.00000313615437
                   +1 :              -0.00006590575281
                   +2 :               0.00003985319012
              4 vec=    -2.802933     -7.607746      4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00003306526934
                2s
                   +0 :               0.00129539229384
                3s
                   +0 :               0.00026756961343
                2p
                   -1 :              -0.00121541440251
                   +0 :              -0.00089000374929
                   +1 :              -0.00130910391104
                3p
                   -1 :               0.00042390462355
                   +0 :              -0.00031148632572
                   +1 :               0.00013344558738
                3d
                   -2 :              -0.00004957273456
                   -1 :               0.00027992360249
                   +0 :              -0.00004451063686
                   +1 :               0.00008253333887
                   +2 :               0.00006094529814
              5 vec=    -2.802933     10.359770      4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00007389302131
                2s
                   +0 :              -0.00051588170004
                3s
                   +0 :              -0.00010136384786
                2p
                   -1 :              -0.00006673735408
                   +0 :              -0.00006549803650
                   +1 :              -0.00035054693006
                3p
                   -1 :              -0.00043505301876
                   +0 :              -0.00051493321175
                   +1 :               0.00004801059855
                3d
                   -2 :              -0.00002900605329
                   -1 :              -0.00007345241027
                   +0 :               0.00002609326323
                   +1 :              -0.00004568149260
                   +2 :               0.00005451489553
              6 vec=   -10.583096     -3.115867      4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00008451310563
                2s
                   +0 :              -0.00078100049559
                3s
                   +0 :               0.00009463857937
                2p
                   -1 :               0.00050316731417
                   +0 :              -0.00084254640542
                   +1 :               0.00022541563679
                3p
                   -1 :              -0.00015968966530
                   +0 :               0.00034985718060
                   +1 :              -0.00003976494906
                3d
                   -2 :              -0.00003021169097
                   -1 :               0.00003745632941
                   +0 :               0.00004106143326
                   +1 :              -0.00008329377184
                   +2 :              -0.00001690757018
              7 vec=   -10.583096      5.867891      4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00019753494048
                2s
                   +0 :              -0.00169751955159
                3s
                   +0 :               0.00049284913067
                2p
                   -1 :               0.00026919897710
                   +0 :               0.00020073005312
                   +1 :              -0.00023586922433
                3p
                   -1 :              -0.00042522898833
                   +0 :              -0.00036567925273
                   +1 :               0.00044402330740
                3d
                   -2 :              -0.00002243195205
                   -1 :              -0.00002414326315
                   +0 :              -0.00001077717605
                   +1 :              -0.00000121173564
                   +2 :               0.00000043047008
              8 vec=    12.757392      1.376012      4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00003298215288
                2s
                   +0 :               0.00057709928010
                3s
                   +0 :               0.00002814886344
                2p
                   -1 :              -0.00068941969984
                   +0 :               0.00065343257762
                   +1 :              -0.00000978780611
                3p
                   -1 :               0.00061614750909
                   +0 :              -0.00008102525626
                   +1 :               0.00028990712994
                3d
                   -2 :               0.00004889451939
                   -1 :               0.00011162098703
                   +0 :              -0.00000535800934
                   +1 :              -0.00004458965046
                   +2 :               0.00001153526814
              9 vec=     4.977229    -12.099625      4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00002528756382
                2s
                   +0 :               0.00020615027755
                3s
                   +0 :               0.00029406445695
                2p
                   -1 :              -0.00006561188669
                   +0 :               0.00033387438591
                   +1 :               0.00032815310105
                3p
                   -1 :              -0.00005947326092
                   +0 :               0.00007395628521
                   +1 :              -0.00000258317735
                3d
                   -2 :              -0.00006286050219
                   -1 :              -0.00004028615745
                   +0 :               0.00002762342821
                   +1 :               0.00004066385384
                   +2 :               0.00000012583992
             10 vec=    12.757392     -7.607746      4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00002778707522
                2s
                   +0 :              -0.00045726213328
                3s
                   +0 :              -0.00008463529970
                2p
                   -1 :              -0.00013762817328
                   +0 :              -0.00040658777572
                   +1 :               0.00026492316517
                3p
                   -1 :               0.00024956533902
                   +0 :               0.00032885454270
                   +1 :              -0.00031786109874
                3d
                   -2 :              -0.00001700696055
                   -1 :              -0.00004654583831
                   +0 :               0.00003315560140
                   +1 :               0.00000516252601
                   +2 :               0.00004480414744
             11 vec=     4.977229     14.851649      4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000791730465
                2s
                   +0 :              -0.00002671317765
                3s
                   +0 :              -0.00008433269972
                2p
                   -1 :               0.00007146875979
                   +0 :               0.00008445256540
                   +1 :              -0.00020613003668
                3p
                   -1 :              -0.00012252273516
                   +0 :              -0.00007177558023
                   +1 :               0.00003784555440
                3d
                   -2 :              -0.00001411367416
                   -1 :               0.00000212240931
                   +0 :               0.00001956406755
                   +1 :              -0.00000108696390
                   +2 :               0.00001658858268
             12 vec=   -10.583096    -12.099625      4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00004521142315
                2s
                   +0 :               0.00030340808588
                3s
                   +0 :              -0.00007607203623
                2p
                   -1 :              -0.00007304394748
                   +0 :               0.00001438841359
                   +1 :              -0.00048750658871
                3p
                   -1 :               0.00006309752008
                   +0 :              -0.00010872170719
                   +1 :               0.00027548662526
                3d
                   -2 :              -0.00000698788809
                   -1 :               0.00000316223034
                   +0 :               0.00000788226635
                   +1 :              -0.00001152501479
                   +2 :               0.00000241554527
             13 vec=    12.757392     10.359770      4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00003294194213
                2s
                   +0 :               0.00030676337660
                3s
                   +0 :              -0.00004059243945
                2p
                   -1 :              -0.00010653825328
                   +0 :               0.00002417214093
                   +1 :               0.00010744603231
                3p
                   -1 :               0.00010483916866
                   +0 :               0.00006133394379
                   +1 :              -0.00000622205587
                3d
                   -2 :               0.00001094706741
                   -1 :               0.00001310667630
                   +0 :               0.00000776071856
                   +1 :               0.00000874010214
                   +2 :              -0.00000316699690
             14 vec=    -2.802933    -16.591504      4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00005852522385
                2s
                   +0 :               0.00050854443019
                3s
                   +0 :              -0.00013671349802
                2p
                   -1 :              -0.00020466754634
                   +0 :               0.00010257525334
                   +1 :               0.00004957351909
                3p
                   -1 :               0.00012683658842
                   +0 :              -0.00004115541917
                   +1 :              -0.00001233080199
                3d
                   -2 :               0.00000384817238
                   -1 :              -0.00000201476084
                   +0 :               0.00000292362389
                   +1 :              -0.00000031190193
                   +2 :              -0.00000576904252
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 14)  npairs=  14
              1 vec=     0.209546     -3.115867      4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00052588193205
                2s
                   +0 :               0.00451577823800
                3s
                   +0 :               0.00121804845444
                2p
                   -1 :               0.00554090686580
                   +0 :               0.00324684064848
                   +1 :              -0.00308526422779
                3p
                   -1 :              -0.00417196094932
                   +0 :              -0.00255699981789
                   +1 :              -0.00154018224476
                3d
                   -2 :               0.00166927751039
                   -1 :              -0.00133415991752
                   +0 :               0.00096866534100
                   +1 :              -0.00244662708765
                   +2 :              -0.00021241151211
              2 vec=     0.209546      5.867891      4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00025932424134
                2s
                   +0 :              -0.00167559525749
                3s
                   +0 :               0.00143175389286
                2p
                   -1 :               0.00026853807736
                   +0 :              -0.00070042125099
                   +1 :               0.00592755836363
                3p
                   -1 :               0.00020192984992
                   +0 :              -0.00045494650991
                   +1 :              -0.00642252848240
                3d
                   -2 :              -0.00017556069960
                   -1 :              -0.00008697126580
                   +0 :               0.00000532496537
                   +1 :              -0.00008303801566
                   +2 :              -0.00009754099867
              3 vec=    -7.570617      1.376012      4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00030512824316
                2s
                   +0 :              -0.00254170225792
                3s
                   +0 :               0.00049519546342
                2p
                   -1 :               0.00108331482297
                   +0 :              -0.00098746012754
                   +1 :               0.00338762292633
                3p
                   -1 :              -0.00164616662118
                   +0 :              -0.00003284913515
                   +1 :              -0.00156641480470
                3d
                   -2 :               0.00017378789479
                   -1 :              -0.00018702954287
                   +0 :              -0.00012301860135
                   +1 :               0.00013704450395
                   +2 :              -0.00006903163184
              4 vec=     7.989708      1.376012      4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00000111836463
                2s
                   +0 :              -0.00030308494671
                3s
                   +0 :               0.00024066974854
                2p
                   -1 :              -0.00050099965616
                   +0 :               0.00340499104257
                   +1 :               0.00094407747720
                3p
                   -1 :              -0.00062329488293
                   +0 :              -0.00188405544208
                   +1 :              -0.00030597141446
                3d
                   -2 :              -0.00009159776115
                   -1 :              -0.00002008636778
                   +0 :               0.00002377502748
                   +1 :              -0.00008244394842
                   +2 :               0.00014626029116
              5 vec=    -7.570617     -7.607746      4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00011656001215
                2s
                   +0 :              -0.00066234896023
                3s
                   +0 :               0.00057265483049
                2p
                   -1 :               0.00105013241557
                   +0 :               0.00011080128020
                   +1 :               0.00059719926083
                3p
                   -1 :              -0.00087840778344
                   +0 :              -0.00021141103013
                   +1 :              -0.00049368380485
                3d
                   -2 :               0.00010699834148
                   -1 :              -0.00004873596628
                   +0 :              -0.00007861111188
                   +1 :               0.00001344611848
                   +2 :              -0.00004559221077
              6 vec=     7.989708     -7.607746      4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00023460572436
                2s
                   +0 :              -0.00278992023055
                3s
                   +0 :               0.00005417785250
                2p
                   -1 :               0.00105336209572
                   +0 :               0.00117998976558
                   +1 :              -0.00154598611632
                3p
                   -1 :               0.00031108857993
                   +0 :              -0.00003272741561
                   +1 :               0.00083325424064
                3d
                   -2 :               0.00010007128441
                   -1 :              -0.00005201323742
                   +0 :               0.00014691621160
                   +1 :               0.00009238849246
                   +2 :               0.00018037234937
              7 vec=     0.209546    -12.099625      4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00003579852679
                2s
                   +0 :               0.00034793719808
                3s
                   +0 :              -0.00006035883892
                2p
                   -1 :               0.00008724895106
                   +0 :              -0.00023422283345
                   +1 :               0.00050924304451
                3p
                   -1 :              -0.00019126048084
                   +0 :               0.00014785966959
                   +1 :              -0.00008943745856
                3d
                   -2 :              -0.00000356344521
                   -1 :              -0.00000186005526
                   +0 :              -0.00001134699016
                   +1 :               0.00010265441604
                   +2 :              -0.00000515233291
              8 vec=    -7.570617     10.359770      4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00010918156366
                2s
                   +0 :              -0.00120741703217
                3s
                   +0 :               0.00011139122488
                2p
                   -1 :              -0.00074605031877
                   +0 :              -0.00055696810057
                   +1 :               0.00011568226344
                3p
                   -1 :               0.00034181296294
                   +0 :               0.00018710983693
                   +1 :               0.00006653436910
                3d
                   -2 :               0.00006313438328
                   -1 :               0.00000661946689
                   +0 :              -0.00002216279862
                   +1 :               0.00001183993252
                   +2 :               0.00001796867978
              9 vec=     7.989708     10.359770      4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00010508441194
                2s
                   +0 :               0.00119930870812
                3s
                   +0 :              -0.00015209302686
                2p
                   -1 :               0.00030859078503
                   +0 :              -0.00006124636792
                   +1 :               0.00022493986461
                3p
                   -1 :               0.00020497946149
                   +0 :               0.00021721529967
                   +1 :               0.00004013898429
                3d
                   -2 :               0.00004800691695
                   -1 :              -0.00000076251466
                   +0 :               0.00000334027038
                   +1 :               0.00002340679351
                   +2 :              -0.00002747609714
             10 vec=     0.209546     14.851649      4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00003957276934
                2s
                   +0 :              -0.00035488969164
                3s
                   +0 :               0.00007262845395
                2p
                   -1 :              -0.00016550624386
                   +0 :               0.00004191220752
                   +1 :              -0.00018919976635
                3p
                   -1 :               0.00000318416022
                   +0 :              -0.00005001019077
                   +1 :               0.00017372742584
                3d
                   -2 :               0.00001965205122
                   -1 :               0.00000723734883
                   +0 :              -0.00000447944793
                   +1 :               0.00000150662761
                   +2 :              -0.00000607397029
             11 vec=   -15.350780     -3.115867      4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00004077420746
                2s
                   +0 :               0.00041305829475
                3s
                   +0 :               0.00007976301951
                2p
                   -1 :               0.00012728567087
                   +0 :               0.00015866696624
                   +1 :               0.00001996724354
                3p
                   -1 :              -0.00011787040020
                   +0 :               0.00008523731657
                   +1 :              -0.00023851489191
                3d
                   -2 :               0.00005028574774
                   -1 :              -0.00004613428680
                   +0 :               0.00003027280461
                   +1 :              -0.00010885789411
                   +2 :               0.00005046711575
             12 vec=    15.769871     -3.115867      4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00007440101264
                2s
                   +0 :              -0.00085052575282
                3s
                   +0 :               0.00014787490627
                2p
                   -1 :              -0.00014913902529
                   +0 :               0.00031545747235
                   +1 :              -0.00079842098615
                3p
                   -1 :              -0.00011379758342
                   +0 :               0.00005337417642
                   +1 :               0.00023998098462
                3d
                   -2 :              -0.00002464479401
                   -1 :              -0.00000900481713
                   +0 :               0.00002438635059
                   +1 :              -0.00000268429690
                   +2 :              -0.00004260632787
             13 vec=   -15.350780      5.867891      4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00005204808236
                2s
                   +0 :              -0.00042745208430
                3s
                   +0 :               0.00013134250135
                2p
                   -1 :              -0.00000982593293
                   +0 :               0.00006344459116
                   +1 :               0.00035691894534
                3p
                   -1 :              -0.00005005171698
                   +0 :              -0.00005817068293
                   +1 :              -0.00024906816831
                3d
                   -2 :               0.00001446472183
                   -1 :               0.00001177637874
                   +0 :              -0.00000878236173
                   +1 :               0.00000320612286
                   +2 :               0.00001390480208
             14 vec=    15.769871      5.867891      4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00003134878516
                2s
                   +0 :               0.00028735713578
                3s
                   +0 :              -0.00006012676376
                2p
                   -1 :              -0.00006360220599
                   +0 :              -0.00003431043801
                   +1 :              -0.00007815836938
                3p
                   -1 :               0.00006787341313
                   +0 :               0.00008714800073
                   +1 :               0.00015708198660
                3d
                   -2 :              -0.00000241994178
                   -1 :              -0.00000082121187
                   +0 :               0.00000699639379
                   +1 :               0.00000506079828
                   +2 :               0.00001078442666
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 15)  npairs=  14
              1 vec=     2.593388      1.013068      4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00281678427170
                2s
                   +0 :               0.04788052606850
                3s
                   +0 :              -0.00444996169559
                2p
                   -1 :               0.00318113102921
                   +0 :               0.02572654513426
                   +1 :               0.00952195310608
                3p
                   -1 :               0.00106794043823
                   +0 :              -0.00562054282609
                   +1 :              -0.00513880193415
                3d
                   -2 :               0.00044682076726
                   -1 :               0.00193619405898
                   +0 :               0.00131585015652
                   +1 :              -0.00045012888779
                   +2 :              -0.00040200931737
              2 vec=    -5.186775     -3.478811      4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00013195505002
                2s
                   +0 :              -0.00111315081889
                3s
                   +0 :               0.00050956107694
                2p
                   -1 :              -0.00057242591975
                   +0 :               0.00057550755001
                   +1 :               0.00412030997311
                3p
                   -1 :               0.00214122126895
                   +0 :              -0.00295588584066
                   +1 :              -0.00237604808449
                3d
                   -2 :               0.00027905172380
                   -1 :              -0.00017852293946
                   +0 :              -0.00042875411718
                   +1 :              -0.00000736026376
                   +2 :               0.00003004142098
              3 vec=    -5.186775      5.504947      4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00032529057290
                2s
                   +0 :              -0.00249465550404
                3s
                   +0 :               0.00027599033363
                2p
                   -1 :              -0.00483805059931
                   +0 :               0.00145408297999
                   +1 :               0.00028559444413
                3p
                   -1 :               0.00291434289275
                   +0 :              -0.00180317702246
                   +1 :               0.00113875601776
                3d
                   -2 :               0.00017862133677
                   -1 :               0.00009552516552
                   +0 :              -0.00004708640082
                   +1 :               0.00037176313789
                   +2 :              -0.00014857668073
              4 vec=     2.593388     -7.970690      4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00007364873450
                2s
                   +0 :               0.00059012553378
                3s
                   +0 :               0.00021158568517
                2p
                   -1 :              -0.00086956132526
                   +0 :               0.00127329265952
                   +1 :               0.00053148809699
                3p
                   -1 :               0.00147050373663
                   +0 :              -0.00005065826620
                   +1 :               0.00008463782542
                3d
                   -2 :               0.00000085140480
                   -1 :               0.00004199414668
                   +0 :               0.00017952157844
                   +1 :              -0.00015362014321
                   +2 :               0.00016874081735
              5 vec=     2.593388      9.996826      4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00017916236287
                2s
                   +0 :              -0.00166678729351
                3s
                   +0 :               0.00025342152862
                2p
                   -1 :              -0.00049088051384
                   +0 :               0.00099433141541
                   +1 :              -0.00092713632994
                3p
                   -1 :               0.00062029196707
                   +0 :              -0.00068126084800
                   +1 :               0.00045934220759
                3d
                   -2 :               0.00004282936161
                   -1 :              -0.00030670805505
                   +0 :              -0.00016099432340
                   +1 :              -0.00003945523049
                   +2 :               0.00006567767954
              6 vec=    10.373550     -3.478811      4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00047942692668
                2s
                   +0 :              -0.00420281782230
                3s
                   +0 :               0.00038446839677
                2p
                   -1 :               0.00243921390280
                   +0 :              -0.00012728628219
                   +1 :              -0.00297317936092
                3p
                   -1 :              -0.00199491978214
                   +0 :               0.00115145880462
                   +1 :               0.00042796583665
                3d
                   -2 :              -0.00004165809962
                   -1 :              -0.00001291733432
                   +0 :               0.00007050646362
                   +1 :               0.00012755405695
                   +2 :              -0.00023386039801
              7 vec=    10.373550      5.504947      4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00002758245010
                2s
                   +0 :               0.00020319732704
                3s
                   +0 :               0.00023290822998
                2p
                   -1 :              -0.00011402690170
                   +0 :               0.00045396453586
                   +1 :               0.00066243155766
                3p
                   -1 :              -0.00015437482247
                   +0 :              -0.00029032122570
                   +1 :              -0.00036932861960
                3d
                   -2 :              -0.00002422530687
                   -1 :              -0.00000861040448
                   +0 :               0.00002272645783
                   +1 :              -0.00004189121963
                   +2 :              -0.00001279746591
              8 vec=   -12.966938      1.013068      4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00005727561877
                2s
                   +0 :              -0.00101924649642
                3s
                   +0 :              -0.00005830137852
                2p
                   -1 :              -0.00026607550346
                   +0 :              -0.00091207947223
                   +1 :              -0.00000995868729
                3p
                   -1 :               0.00012979547252
                   +0 :               0.00027691397702
                   +1 :               0.00041605403104
                3d
                   -2 :              -0.00000000658004
                   -1 :              -0.00004116666780
                   +0 :              -0.00001969485879
                   +1 :               0.00001721172095
                   +2 :              -0.00005419340053
              9 vec=    -5.186775    -12.462569      4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00008638843974
                2s
                   +0 :               0.00084058170622
                3s
                   +0 :              -0.00011090072571
                2p
                   -1 :               0.00005979634794
                   +0 :              -0.00042237539179
                   +1 :              -0.00025452376093
                3p
                   -1 :              -0.00039104043561
                   +0 :               0.00030672844229
                   +1 :               0.00003887083518
                3d
                   -2 :               0.00001736280055
                   -1 :              -0.00002115433651
                   +0 :               0.00000981924672
                   +1 :              -0.00000925764589
                   +2 :              -0.00003075481534
             10 vec=   -12.966938     -7.970690      4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000531710021
                2s
                   +0 :              -0.00001358135193
                3s
                   +0 :              -0.00002115039210
                2p
                   -1 :              -0.00007387205317
                   +0 :              -0.00018604532171
                   +1 :               0.00008423729314
                3p
                   -1 :               0.00012813792477
                   +0 :               0.00004319603921
                   +1 :              -0.00001767524592
                3d
                   -2 :              -0.00000936189007
                   -1 :              -0.00000014580080
                   +0 :              -0.00001270037792
                   +1 :              -0.00000519324328
                   +2 :              -0.00000079674871
             11 vec=    -5.186775     14.488705      4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00001019906769
                2s
                   +0 :               0.00009928669069
                3s
                   +0 :               0.00003429517445
                2p
                   -1 :              -0.00001779890919
                   +0 :               0.00023423077957
                   +1 :              -0.00011079047653
                3p
                   -1 :               0.00008368902490
                   +0 :              -0.00004881758017
                   +1 :              -0.00003078995296
                3d
                   -2 :              -0.00001760857494
                   -1 :               0.00002396481669
                   +0 :               0.00001598861284
                   +1 :              -0.00001065022243
                   +2 :              -0.00002131115556
             12 vec=    10.373550    -12.462569      4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00009007034215
                2s
                   +0 :              -0.00092368569685
                3s
                   +0 :               0.00014148627403
                2p
                   -1 :               0.00066103245060
                   +0 :               0.00033440733872
                   +1 :              -0.00003118739842
                3p
                   -1 :              -0.00006571924607
                   +0 :              -0.00011256328977
                   +1 :              -0.00003734976149
                3d
                   -2 :               0.00003391240846
                   -1 :               0.00002480116529
                   +0 :               0.00001538505224
                   +1 :              -0.00000076467004
                   +2 :               0.00002359371315
             13 vec=   -12.966938      9.996826      4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00003546409074
                2s
                   +0 :              -0.00030315914226
                3s
                   +0 :               0.00008631846594
                2p
                   -1 :              -0.00033233866859
                   +0 :               0.00013492041011
                   +1 :               0.00003806221210
                3p
                   -1 :               0.00027104366559
                   +0 :              -0.00010855722870
                   +1 :               0.00001289590157
                3d
                   -2 :               0.00000278571422
                   -1 :              -0.00001175097320
                   +0 :              -0.00000199315559
                   +1 :               0.00000389739365
                   +2 :              -0.00003019708066
             14 vec=     2.593388    -16.954448      4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00001088574675
                2s
                   +0 :               0.00015294458827
                3s
                   +0 :              -0.00001266878133
                2p
                   -1 :               0.00012997079172
                   +0 :              -0.00004781300213
                   +1 :               0.00002858862230
                3p
                   -1 :              -0.00015866981729
                   +0 :               0.00005830319312
                   +1 :              -0.00002259519915
                3d
                   -2 :               0.00000352234254
                   -1 :              -0.00000089253193
                   +0 :              -0.00000136689694
                   +1 :              -0.00000021675497
                   +2 :              -0.00000166670028
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 16)  npairs=  14
              1 vec=     0.209546     -0.363243     -8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00059823518343
                2s
                   +0 :              -0.00439396415525
                3s
                   +0 :               0.00142366633059
                2p
                   -1 :              -0.00045711341411
                   +0 :               0.00151051187444
                   +1 :              -0.00279624811510
                3p
                   -1 :               0.00087155647528
                   +0 :              -0.00030738378333
                   +1 :               0.00030144045347
                3d
                   -2 :              -0.00001783715796
                   -1 :              -0.00008322234210
                   +0 :              -0.00022998810219
                   +1 :               0.00006647271532
                   +2 :               0.00004860997664
              2 vec=     0.209546      8.620515     -8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00006514507574
                2s
                   +0 :              -0.00046972970425
                3s
                   +0 :               0.00006165703107
                2p
                   -1 :               0.00015185938753
                   +0 :               0.00016732081574
                   +1 :              -0.00079210905367
                3p
                   -1 :              -0.00020203623124
                   +0 :              -0.00005258662505
                   +1 :               0.00022327122973
                3d
                   -2 :              -0.00007122652610
                   -1 :              -0.00000664350405
                   +0 :              -0.00000328563941
                   +1 :               0.00001844674248
                   +2 :               0.00002191673725
              3 vec=    -7.570617      4.128636     -8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00006996857689
                2s
                   +0 :              -0.00140785407011
                3s
                   +0 :              -0.00002653049319
                2p
                   -1 :               0.00036260273603
                   +0 :               0.00076243849346
                   +1 :               0.00067870369258
                3p
                   -1 :              -0.00050404122438
                   +0 :               0.00008318675709
                   +1 :              -0.00024917318823
                3d
                   -2 :              -0.00001308240330
                   -1 :              -0.00000954191652
                   +0 :              -0.00001584427241
                   +1 :              -0.00002344642746
                   +2 :               0.00005262580903
              4 vec=     7.989708      4.128636     -8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00030549846530
                2s
                   +0 :               0.00314207409195
                3s
                   +0 :              -0.00064021217421
                2p
                   -1 :               0.00043401367380
                   +0 :              -0.00128952414236
                   +1 :               0.00106464605157
                3p
                   -1 :               0.00021179540705
                   +0 :               0.00021241123825
                   +1 :              -0.00064660211717
                3d
                   -2 :              -0.00000317753700
                   -1 :              -0.00004657206147
                   +0 :               0.00005845630990
                   +1 :               0.00003617913064
                   +2 :              -0.00010365817460
              5 vec=    -7.570617     -4.855122     -8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00015799220748
                2s
                   +0 :               0.00043457332135
                3s
                   +0 :              -0.00060293229158
                2p
                   -1 :               0.00173250279846
                   +0 :              -0.00039052433234
                   +1 :              -0.00141657919118
                3p
                   -1 :              -0.00101698365153
                   +0 :               0.00041815614270
                   +1 :               0.00128799381368
                3d
                   -2 :               0.00001534290314
                   -1 :               0.00005601699320
                   +0 :              -0.00005724307764
                   +1 :              -0.00013201284240
                   +2 :              -0.00004064921762
              6 vec=     7.989708     -4.855122     -8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00001479824814
                2s
                   +0 :               0.00031247569855
                3s
                   +0 :               0.00008952922001
                2p
                   -1 :              -0.00076682345492
                   +0 :              -0.00067570274189
                   +1 :               0.00093445801940
                3p
                   -1 :               0.00049500026805
                   +0 :               0.00044427804227
                   +1 :              -0.00070246828783
                3d
                   -2 :               0.00001744944719
                   -1 :              -0.00001280359990
                   +0 :              -0.00000728661568
                   +1 :               0.00004239832062
                   +2 :              -0.00003398719309
              7 vec=     0.209546     -9.347001     -8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00011110493747
                2s
                   +0 :               0.00103085880902
                3s
                   +0 :              -0.00010639610901
                2p
                   -1 :              -0.00038239257664
                   +0 :              -0.00008607174774
                   +1 :              -0.00082958442828
                3p
                   -1 :               0.00012875069208
                   +0 :              -0.00034666648159
                   +1 :               0.00029174807216
                3d
                   -2 :               0.00000158280554
                   -1 :               0.00005439222458
                   +0 :               0.00000328914137
                   +1 :               0.00007153910109
                   +2 :               0.00001086315109
              8 vec=     0.209546     -0.363243     16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001634760944
                2s
                   +0 :              -0.00010512472675
                3s
                   +0 :               0.00004431345187
                2p
                   -1 :              -0.00013310868054
                   +0 :              -0.00004675016297
                   +1 :               0.00004241554177
                3p
                   -1 :               0.00007294704164
                   +0 :               0.00001422994422
                   +1 :              -0.00004943601997
                3d
                   -2 :              -0.00000897448224
                   -1 :               0.00000683571139
                   +0 :              -0.00000290940323
                   +1 :              -0.00000815059798
                   +2 :               0.00000273446330
              9 vec=    -7.570617     13.112394     -8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00004723721352
                2s
                   +0 :              -0.00048986446385
                3s
                   +0 :               0.00009848188638
                2p
                   -1 :              -0.00019816625662
                   +0 :               0.00011562369797
                   +1 :               0.00005785844780
                3p
                   -1 :               0.00001667378592
                   +0 :              -0.00005499818824
                   +1 :              -0.00003015377062
                3d
                   -2 :               0.00000752632394
                   -1 :               0.00000402711215
                   +0 :               0.00000407466486
                   +1 :               0.00000352082716
                   +2 :               0.00001236894087
             10 vec=     7.989708     13.112394     -8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00001884341213
                2s
                   +0 :               0.00024774053849
                3s
                   +0 :              -0.00001916458823
                2p
                   -1 :               0.00011555702976
                   +0 :              -0.00015760855670
                   +1 :              -0.00003489105091
                3p
                   -1 :              -0.00000072780243
                   +0 :               0.00004037833484
                   +1 :              -0.00000644663495
                3d
                   -2 :               0.00000687334123
                   -1 :              -0.00000467032065
                   +0 :              -0.00000238319368
                   +1 :               0.00000291463037
                   +2 :              -0.00000923678188
             11 vec=   -15.350780     -0.363243     -8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00006885614688
                2s
                   +0 :              -0.00061913021987
                3s
                   +0 :               0.00014910906358
                2p
                   -1 :              -0.00013518710735
                   +0 :               0.00011504269695
                   +1 :               0.00040174782431
                3p
                   -1 :               0.00017006051094
                   +0 :              -0.00001174508211
                   +1 :              -0.00018234461871
                3d
                   -2 :              -0.00001897980502
                   -1 :              -0.00001660352694
                   +0 :               0.00000397400547
                   +1 :              -0.00000995565532
                   +2 :              -0.00000696803794
             12 vec=    15.769871     -0.363243     -8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00004148683365
                2s
                   +0 :               0.00040970210532
                3s
                   +0 :              -0.00004615895240
                2p
                   -1 :              -0.00002069648395
                   +0 :              -0.00007883998455
                   +1 :               0.00017433528015
                3p
                   -1 :              -0.00002633407697
                   +0 :               0.00001428996436
                   +1 :              -0.00003312862093
                3d
                   -2 :              -0.00000166405454
                   -1 :               0.00000862020787
                   +0 :               0.00000175970752
                   +1 :               0.00000042368828
                   +2 :               0.00000579534317
             13 vec=    -7.570617    -13.838880     -8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000454517795
                2s
                   +0 :               0.00006433454103
                3s
                   +0 :              -0.00002047573852
                2p
                   -1 :               0.00006680899490
                   +0 :              -0.00011693759108
                   +1 :              -0.00009957866549
                3p
                   -1 :              -0.00004096708826
                   +0 :               0.00009317475486
                   +1 :               0.00005502090460
                3d
                   -2 :              -0.00000527160044
                   -1 :              -0.00000144142006
                   +0 :              -0.00000367118092
                   +1 :              -0.00000263074929
                   +2 :              -0.00000571681428
             14 vec=     7.989708    -13.838880     -8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00003711859500
                2s
                   +0 :               0.00038838418284
                3s
                   +0 :              -0.00006496693523
                2p
                   -1 :              -0.00009422076617
                   +0 :               0.00001924567225
                   +1 :               0.00009123167139
                3p
                   -1 :              -0.00000158059538
                   +0 :              -0.00000805462950
                   +1 :              -0.00000720248904
                3d
                   -2 :              -0.00000463356146
                   -1 :              -0.00000503117773
                   +0 :              -0.00000034607551
                   +1 :               0.00000158534446
                   +2 :              -0.00000014388232
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 17)  npairs=  15
              1 vec=    -2.802933      4.128636     -8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00038582362182
                2s
                   +0 :              -0.00425883085468
                3s
                   +0 :               0.00021649418322
                2p
                   -1 :              -0.00404941134285
                   +0 :               0.00314615018768
                   +1 :              -0.00129866855049
                3p
                   -1 :               0.00068920379193
                   +0 :               0.00057332739553
                   +1 :               0.00088819970367
                3d
                   -2 :               0.00007247769971
                   -1 :               0.00020918979095
                   +0 :              -0.00005876911220
                   +1 :              -0.00008694210467
                   +2 :               0.00020743773388
              2 vec=     4.977229     -0.363243     -8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00020100197528
                2s
                   +0 :               0.00236037300317
                3s
                   +0 :              -0.00016819450704
                2p
                   -1 :              -0.00322892447130
                   +0 :              -0.00254048799652
                   +1 :              -0.00057888925023
                3p
                   -1 :               0.00101118341659
                   +0 :               0.00029514996484
                   +1 :               0.00068446507740
                3d
                   -2 :               0.00007629985372
                   -1 :               0.00010584498810
                   +0 :              -0.00009939733700
                   +1 :              -0.00006460889609
                   +2 :              -0.00002706579540
              3 vec=    -2.802933     -4.855122     -8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00007032335052
                2s
                   +0 :               0.00092607770099
                3s
                   +0 :              -0.00013843604353
                2p
                   -1 :              -0.00086568754071
                   +0 :              -0.00109001961971
                   +1 :               0.00094690951894
                3p
                   -1 :               0.00087694652755
                   +0 :               0.00065313245131
                   +1 :              -0.00117100709254
                3d
                   -2 :               0.00003121840647
                   -1 :               0.00002194357299
                   +0 :               0.00015381011618
                   +1 :               0.00002897455405
                   +2 :              -0.00005038481778
              4 vec=     4.977229      8.620515     -8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00009802531752
                2s
                   +0 :               0.00086104210619
                3s
                   +0 :              -0.00027479999659
                2p
                   -1 :               0.00042218671967
                   +0 :              -0.00003089151085
                   +1 :               0.00060209107431
                3p
                   -1 :              -0.00023565652210
                   +0 :               0.00012284370997
                   +1 :              -0.00059858016950
                3d
                   -2 :              -0.00000374126178
                   -1 :               0.00001672119298
                   +0 :              -0.00002331723377
                   +1 :               0.00004206276813
                   +2 :              -0.00001593865154
              5 vec=   -10.583096     -0.363243     -8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00009070599559
                2s
                   +0 :              -0.00122521450166
                3s
                   +0 :               0.00013921504193
                2p
                   -1 :              -0.00001919050844
                   +0 :              -0.00021646950871
                   +1 :               0.00031503484987
                3p
                   -1 :               0.00015641893363
                   +0 :               0.00021172513123
                   +1 :               0.00025765101014
                3d
                   -2 :              -0.00003250377836
                   -1 :               0.00001765230715
                   +0 :               0.00002160050685
                   +1 :               0.00001176704530
                   +2 :              -0.00001540908549
              6 vec=     4.977229     -9.347001     -8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00012961490270
                2s
                   +0 :               0.00144252880484
                3s
                   +0 :              -0.00027393206932
                2p
                   -1 :              -0.00008015636007
                   +0 :              -0.00054042729432
                   +1 :               0.00043541444334
                3p
                   -1 :              -0.00004258575309
                   +0 :               0.00008913740487
                   +1 :              -0.00019284779207
                3d
                   -2 :              -0.00000956345057
                   -1 :              -0.00000470859450
                   +0 :               0.00001438950447
                   +1 :              -0.00000957226651
                   +2 :               0.00005189831640
              7 vec=    -2.802933     13.112394     -8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00003758422846
                2s
                   +0 :              -0.00035396849656
                3s
                   +0 :               0.00008082137923
                2p
                   -1 :              -0.00020100364434
                   +0 :               0.00016538816472
                   +1 :              -0.00029270296716
                3p
                   -1 :               0.00008510661237
                   +0 :              -0.00004823806911
                   +1 :               0.00017509716060
                3d
                   -2 :              -0.00000016148610
                   -1 :               0.00000457531112
                   +0 :               0.00000736451503
                   +1 :              -0.00001141782297
                   +2 :               0.00000502705895
              8 vec=    12.757392      4.128636     -8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00003099171817
                2s
                   +0 :               0.00048704024166
                3s
                   +0 :               0.00000009420398
                2p
                   -1 :               0.00000378350166
                   +0 :              -0.00032798314848
                   +1 :               0.00031928763166
                3p
                   -1 :               0.00007427086234
                   +0 :               0.00013494315117
                   +1 :              -0.00013223273264
                3d
                   -2 :              -0.00000071199889
                   -1 :              -0.00002620030205
                   +0 :              -0.00000924607643
                   +1 :               0.00000962381172
                   +2 :              -0.00000519190207
              9 vec=   -10.583096      8.620515     -8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00001712716763
                2s
                   +0 :              -0.00025304038394
                3s
                   +0 :              -0.00000144849180
                2p
                   -1 :               0.00006162662019
                   +0 :               0.00004872118862
                   +1 :               0.00012717318855
                3p
                   -1 :              -0.00004144743027
                   +0 :              -0.00003088787851
                   +1 :              -0.00003749720001
                3d
                   -2 :              -0.00000979318711
                   -1 :               0.00000302025779
                   +0 :              -0.00000757876007
                   +1 :               0.00000074679667
                   +2 :               0.00000041948606
             10 vec=    12.757392     -4.855122     -8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00002239191864
                2s
                   +0 :               0.00005133820857
                3s
                   +0 :               0.00018033084571
                2p
                   -1 :              -0.00010337308804
                   +0 :              -0.00006100517158
                   +1 :              -0.00016239094541
                3p
                   -1 :               0.00001209616063
                   +0 :              -0.00002509055271
                   +1 :               0.00022604033387
                3d
                   -2 :               0.00000030944045
                   -1 :               0.00000138089096
                   +0 :               0.00000594154501
                   +1 :               0.00000344441971
                   +2 :               0.00001118499577
             11 vec=   -10.583096     -9.347001     -8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00004195850198
                2s
                   +0 :               0.00013733644801
                3s
                   +0 :              -0.00016013047326
                2p
                   -1 :              -0.00013878759346
                   +0 :              -0.00008480829788
                   +1 :               0.00016233787666
                3p
                   -1 :               0.00022121215925
                   +0 :               0.00010266530509
                   +1 :              -0.00010473675088
                3d
                   -2 :              -0.00000373749849
                   -1 :              -0.00001197144854
                   +0 :              -0.00000146699342
                   +1 :              -0.00000169664380
                   +2 :               0.00000502780493
             12 vec=    -2.802933    -13.838880     -8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000613255835
                2s
                   +0 :               0.00010797214360
                3s
                   +0 :               0.00001073104828
                2p
                   -1 :               0.00009115588355
                   +0 :              -0.00000876994711
                   +1 :               0.00002248435291
                3p
                   -1 :              -0.00010018712090
                   +0 :               0.00003571331142
                   +1 :              -0.00010789055878
                3d
                   -2 :               0.00000986986172
                   -1 :              -0.00000175124117
                   +0 :              -0.00001394551881
                   +1 :               0.00000989919816
                   +2 :              -0.00001028323198
             13 vec=    -2.802933      4.128636     16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00004719225308
                2s
                   +0 :               0.00047033972061
                3s
                   +0 :              -0.00007876527091
                2p
                   -1 :               0.00005619906468
                   +0 :               0.00015964012072
                   +1 :              -0.00002300793331
                3p
                   -1 :              -0.00003566259525
                   +0 :              -0.00000554209240
                   +1 :               0.00000285385253
                3d
                   -2 :               0.00000611645925
                   -1 :              -0.00000247141104
                   +0 :               0.00000973124629
                   +1 :               0.00000079457766
                   +2 :              -0.00000857750823
             14 vec=     4.977229     -0.363243     16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00003479567442
                2s
                   +0 :               0.00025534851680
                3s
                   +0 :              -0.00010442440263
                2p
                   -1 :              -0.00005358868294
                   +0 :               0.00016377226906
                   +1 :               0.00004550797077
                3p
                   -1 :              -0.00000861527995
                   +0 :              -0.00011067165700
                   +1 :              -0.00002401354645
                3d
                   -2 :              -0.00000070318369
                   -1 :              -0.00001103324200
                   +0 :              -0.00001224673605
                   +1 :              -0.00000168081555
                   +2 :               0.00000121710177
             15 vec=    -2.802933     -4.855122     16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000948218980
                2s
                   +0 :              -0.00003503723665
                3s
                   +0 :               0.00003555083177
                2p
                   -1 :               0.00015585754582
                   +0 :               0.00005196404533
                   +1 :              -0.00010525270507
                3p
                   -1 :              -0.00006894054200
                   +0 :              -0.00007258780980
                   +1 :               0.00006020827989
                3d
                   -2 :              -0.00000080683501
                   -1 :               0.00000681156415
                   +0 :              -0.00000568569575
                   +1 :              -0.00000313018744
                   +2 :               0.00000534663441
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 18)  npairs=  15
              1 vec=     2.593388      4.491580     -8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00024945638205
                2s
                   +0 :               0.00250805791528
                3s
                   +0 :              -0.00035410708604
                2p
                   -1 :               0.00270213737642
                   +0 :              -0.00203153788771
                   +1 :              -0.00272368536775
                3p
                   -1 :              -0.00072321243563
                   +0 :               0.00039042366803
                   +1 :               0.00131103417355
                3d
                   -2 :              -0.00008875215563
                   -1 :              -0.00006077840162
                   +0 :               0.00006349793718
                   +1 :              -0.00004167546945
                   +2 :              -0.00001539656464
              2 vec=    -5.186775     -0.000299     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00045326020360
                2s
                   +0 :              -0.00535393530274
                3s
                   +0 :               0.00045725757155
                2p
                   -1 :               0.00190171569722
                   +0 :               0.00536862866742
                   +1 :               0.00328031659675
                3p
                   -1 :              -0.00021013216746
                   +0 :              -0.00124370316811
                   +1 :              -0.00060868910855
                3d
                   -2 :              -0.00007458438950
                   -1 :              -0.00016967459867
                   +0 :              -0.00004830269816
                   +1 :              -0.00018714486595
                   +2 :              -0.00008444904875
              3 vec=     2.593388     -4.492178     -8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00010524511907
                2s
                   +0 :              -0.00060907844318
                3s
                   +0 :               0.00041408156866
                2p
                   -1 :               0.00411229007680
                   +0 :               0.00041019901542
                   +1 :              -0.00179333999323
                3p
                   -1 :              -0.00262794050879
                   +0 :               0.00040207659636
                   +1 :               0.00082207989031
                3d
                   -2 :              -0.00002018450660
                   -1 :               0.00008951535942
                   +0 :              -0.00009692872757
                   +1 :              -0.00001987569217
                   +2 :              -0.00015036158820
              4 vec=    -5.186775      8.983459     -8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00011595434563
                2s
                   +0 :              -0.00116497628554
                3s
                   +0 :               0.00013716245188
                2p
                   -1 :              -0.00060929847572
                   +0 :               0.00001707123552
                   +1 :               0.00045433326462
                3p
                   -1 :               0.00006984917970
                   +0 :               0.00000612564764
                   +1 :              -0.00031609581580
                3d
                   -2 :               0.00003880118402
                   -1 :               0.00001865415372
                   +0 :              -0.00003013649749
                   +1 :               0.00000571509115
                   +2 :               0.00002936105025
              5 vec=    10.373550     -0.000299     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00007252474050
                2s
                   +0 :               0.00100653637947
                3s
                   +0 :              -0.00001227374212
                2p
                   -1 :               0.00011001402748
                   +0 :              -0.00008362631024
                   +1 :               0.00031090498531
                3p
                   -1 :              -0.00030256417035
                   +0 :              -0.00025361489930
                   +1 :              -0.00010364385105
                3d
                   -2 :              -0.00003886828615
                   -1 :               0.00005931661563
                   +0 :               0.00003209900624
                   +1 :              -0.00005222387169
                   +2 :              -0.00001455544756
              6 vec=    -5.186775     -8.984057     -8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00001585827414
                2s
                   +0 :              -0.00008741356215
                3s
                   +0 :              -0.00001909957885
                2p
                   -1 :              -0.00008630744950
                   +0 :               0.00026658360843
                   +1 :               0.00027679340918
                3p
                   -1 :               0.00011157161928
                   +0 :              -0.00011002430690
                   +1 :              -0.00031473437885
                3d
                   -2 :               0.00003766392282
                   -1 :               0.00000488051679
                   +0 :               0.00005236021063
                   +1 :               0.00002196297650
                   +2 :               0.00001954461841
              7 vec=     2.593388     13.475338     -8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001409435341
                2s
                   +0 :               0.00005178521903
                3s
                   +0 :              -0.00004494074020
                2p
                   -1 :              -0.00012117044866
                   +0 :              -0.00011558184851
                   +1 :              -0.00020283067519
                3p
                   -1 :               0.00010096510400
                   +0 :               0.00005399701540
                   +1 :               0.00012620655176
                3d
                   -2 :               0.00000374596205
                   -1 :               0.00000423295120
                   +0 :              -0.00000294465388
                   +1 :              -0.00000998177526
                   +2 :              -0.00000361771642
              8 vec=    10.373550      8.983459     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00005630164390
                2s
                   +0 :               0.00059344799873
                3s
                   +0 :              -0.00008698418196
                2p
                   -1 :               0.00033889825753
                   +0 :              -0.00026493482217
                   +1 :               0.00004724141812
                3p
                   -1 :              -0.00017465942405
                   +0 :               0.00016762480381
                   +1 :               0.00004083773667
                3d
                   -2 :               0.00000919694364
                   -1 :               0.00000831388331
                   +0 :              -0.00000227555107
                   +1 :              -0.00000637870269
                   +2 :               0.00000497420866
              9 vec=   -12.966938      4.491580     -8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00005891113798
                2s
                   +0 :              -0.00048792616127
                3s
                   +0 :               0.00008948889007
                2p
                   -1 :              -0.00038628305009
                   +0 :               0.00009850621430
                   +1 :               0.00014944112687
                3p
                   -1 :               0.00020451055875
                   +0 :              -0.00006302449089
                   +1 :              -0.00006018990218
                3d
                   -2 :              -0.00000288294055
                   -1 :               0.00000199373404
                   +0 :               0.00000109272550
                   +1 :               0.00001099020717
                   +2 :              -0.00000525433538
             10 vec=   -12.966938     -4.492178     -8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00006794163288
                2s
                   +0 :              -0.00051819385541
                3s
                   +0 :               0.00018359360141
                2p
                   -1 :               0.00029781801320
                   +0 :               0.00019083978212
                   +1 :               0.00017045103810
                3p
                   -1 :              -0.00018219810639
                   +0 :              -0.00014875539308
                   +1 :              -0.00009360836375
                3d
                   -2 :              -0.00000531103157
                   -1 :               0.00000899346918
                   +0 :               0.00000475472578
                   +1 :               0.00000924991141
                   +2 :               0.00001949093930
             11 vec=    10.373550     -8.984057     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00002367487184
                2s
                   +0 :               0.00035769495111
                3s
                   +0 :              -0.00000797523216
                2p
                   -1 :               0.00019874306775
                   +0 :              -0.00014494261143
                   +1 :               0.00014242769440
                3p
                   -1 :              -0.00022155261108
                   +0 :               0.00007598894785
                   +1 :              -0.00000307830299
                3d
                   -2 :               0.00000582418458
                   -1 :              -0.00000839894327
                   +0 :              -0.00000526724346
                   +1 :              -0.00000283036804
                   +2 :              -0.00001397102447
             12 vec=     2.593388    -13.475936     -8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00003242289762
                2s
                   +0 :               0.00042596097719
                3s
                   +0 :              -0.00003206540038
                2p
                   -1 :              -0.00019539361556
                   +0 :              -0.00004666416465
                   +1 :              -0.00005356746689
                3p
                   -1 :               0.00006507195515
                   +0 :              -0.00009014947528
                   +1 :               0.00003349161651
                3d
                   -2 :              -0.00000784184257
                   -1 :               0.00001721941148
                   +0 :               0.00000785198563
                   +1 :              -0.00001036431486
                   +2 :               0.00001547514990
             13 vec=     2.593388      4.491580     16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000651551917
                2s
                   +0 :              -0.00002866345713
                3s
                   +0 :               0.00005471087427
                2p
                   -1 :               0.00010971065209
                   +0 :              -0.00004705799857
                   +1 :              -0.00004166289808
                3p
                   -1 :              -0.00010039052075
                   +0 :               0.00003383872528
                   +1 :              -0.00004014799230
                3d
                   -2 :               0.00000429836763
                   -1 :              -0.00000698382724
                   +0 :              -0.00000878884512
                   +1 :              -0.00001494387716
                   +2 :              -0.00000318404923
             14 vec=    -5.186775     -0.000299     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00002801843367
                2s
                   +0 :               0.00030495586123
                3s
                   +0 :              -0.00004448132518
                2p
                   -1 :              -0.00004332063423
                   +0 :               0.00010581918505
                   +1 :               0.00004378708138
                3p
                   -1 :               0.00002060147751
                   +0 :              -0.00003293735385
                   +1 :              -0.00005893458793
                3d
                   -2 :               0.00000999068697
                   -1 :              -0.00000095333478
                   +0 :              -0.00000037029424
                   +1 :              -0.00000348435240
                   +2 :              -0.00000123328634
             15 vec=     2.593388     -4.492178     16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001571571179
                2s
                   +0 :              -0.00006650889134
                3s
                   +0 :               0.00005928909163
                2p
                   -1 :              -0.00007334653715
                   +0 :              -0.00007295870811
                   +1 :              -0.00007035727450
                3p
                   -1 :               0.00002626217086
                   +0 :               0.00014086303574
                   +1 :               0.00007270898826
                3d
                   -2 :              -0.00000174801481
                   -1 :              -0.00000338951988
                   +0 :               0.00000988926944
                   +1 :               0.00000838443836
                   +2 :               0.00000189834895
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 19)  npairs=  14
              1 vec=     2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00001431199212
                2s
                   +0 :              -0.00037903122892
                3s
                   +0 :               0.00003847978539
                2p
                   -1 :              -0.00004866989128
                   +0 :               0.00007507997975
                   +1 :              -0.00028407088438
                3p
                   -1 :              -0.00005975926256
                   +0 :               0.00011809127467
                   +1 :               0.00002671032765
                3d
                   -2 :              -0.00001765427227
                   -1 :              -0.00001054854203
                   +0 :              -0.00002816778198
                   +1 :               0.00001858043780
                   +2 :              -0.00001038768101
              2 vec=     2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004355577167
                2s
                   +0 :               0.00057837800310
                3s
                   +0 :              -0.00008936400607
                2p
                   -1 :              -0.00055154413399
                   +0 :               0.00034398857645
                   +1 :               0.00046548026317
                3p
                   -1 :               0.00021215575262
                   +0 :              -0.00006850114245
                   +1 :              -0.00010985412159
                3d
                   -2 :              -0.00002050454850
                   -1 :              -0.00000855060237
                   +0 :              -0.00000699962703
                   +1 :               0.00002603623315
                   +2 :               0.00000349457260
              3 vec=    -5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00004437867939
                2s
                   +0 :              -0.00080857490699
                3s
                   +0 :              -0.00000037983544
                2p
                   -1 :               0.00083386291086
                   +0 :               0.00062981408452
                   +1 :              -0.00015035975337
                3p
                   -1 :              -0.00020981846967
                   +0 :              -0.00004972063316
                   +1 :              -0.00002764960508
                3d
                   -2 :              -0.00001140080769
                   -1 :              -0.00004191353044
                   +0 :              -0.00002522844944
                   +1 :               0.00000918541048
                   +2 :               0.00003926407185
              4 vec=    -5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00013418031662
                2s
                   +0 :               0.00083273605999
                3s
                   +0 :              -0.00040750194409
                2p
                   -1 :               0.00046945000077
                   +0 :              -0.00003862450786
                   +1 :              -0.00062094909514
                3p
                   -1 :               0.00001452697209
                   +0 :              -0.00021226055729
                   +1 :               0.00026908003320
                3d
                   -2 :              -0.00002108346206
                   -1 :               0.00006463005754
                   +0 :              -0.00004628643962
                   +1 :               0.00000590157813
                   +2 :               0.00000430314755
              5 vec=    -5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00017198338841
                2s
                   +0 :              -0.00154597279943
                3s
                   +0 :               0.00034661059614
                2p
                   -1 :              -0.00042825978671
                   +0 :               0.00068555514205
                   +1 :               0.00032440543818
                3p
                   -1 :               0.00020931819004
                   +0 :              -0.00010054574331
                   +1 :              -0.00004976423167
                3d
                   -2 :              -0.00001626671563
                   -1 :              -0.00001439844647
                   +0 :              -0.00001373602375
                   +1 :              -0.00003911431438
                   +2 :              -0.00000969775262
              6 vec=    -5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000311275205
                2s
                   +0 :              -0.00002357797213
                3s
                   +0 :              -0.00000615065011
                2p
                   -1 :               0.00010882102240
                   +0 :              -0.00017153701618
                   +1 :               0.00016438974119
                3p
                   -1 :              -0.00002861130311
                   +0 :               0.00000096459717
                   +1 :              -0.00012040886613
                3d
                   -2 :               0.00000261146113
                   -1 :               0.00001269930515
                   +0 :               0.00000246918460
                   +1 :               0.00000648958548
                   +2 :              -0.00000878314786
              7 vec=     2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00004236695397
                2s
                   +0 :               0.00028615346794
                3s
                   +0 :              -0.00011725944579
                2p
                   -1 :               0.00015871925012
                   +0 :              -0.00024458924500
                   +1 :               0.00019122628997
                3p
                   -1 :              -0.00005611850259
                   +0 :               0.00025073902949
                   +1 :              -0.00021825474561
                3d
                   -2 :               0.00000549411622
                   -1 :              -0.00001590971761
                   +0 :              -0.00003647482183
                   +1 :               0.00001730218229
                   +2 :               0.00001069123871
              8 vec=     2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000423783588
                2s
                   +0 :              -0.00011900864849
                3s
                   +0 :               0.00001014019366
                2p
                   -1 :              -0.00036793830263
                   +0 :               0.00002441228746
                   +1 :              -0.00049914588196
                3p
                   -1 :               0.00029941569947
                   +0 :              -0.00026781915389
                   +1 :               0.00028352905440
                3d
                   -2 :               0.00003889147624
                   -1 :               0.00004011957813
                   +0 :              -0.00004108450432
                   +1 :              -0.00001787298984
                   +2 :               0.00004186295860
              9 vec=     2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000661678911
                2s
                   +0 :               0.00001110215822
                3s
                   +0 :              -0.00004919640804
                2p
                   -1 :               0.00012038678975
                   +0 :              -0.00003870879302
                   +1 :              -0.00016790572244
                3p
                   -1 :              -0.00009390144789
                   +0 :               0.00004509959095
                   +1 :               0.00009198303322
                3d
                   -2 :               0.00000061743977
                   -1 :               0.00000925304609
                   +0 :              -0.00000158528452
                   +1 :              -0.00000441383526
                   +2 :               0.00000098333868
             10 vec=     2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00005376901588
                2s
                   +0 :               0.00043548357576
                3s
                   +0 :              -0.00009499322048
                2p
                   -1 :               0.00032637180267
                   +0 :               0.00011036093036
                   +1 :               0.00002182840895
                3p
                   -1 :              -0.00012278792783
                   +0 :              -0.00001507703533
                   +1 :              -0.00003392360052
                3d
                   -2 :               0.00000529152754
                   -1 :               0.00001330383603
                   +0 :               0.00001425104653
                   +1 :               0.00000350223562
                   +2 :              -0.00000409878447
             11 vec=    10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00004132529721
                2s
                   +0 :               0.00040690238155
                3s
                   +0 :              -0.00006432797059
                2p
                   -1 :              -0.00024040454124
                   +0 :               0.00006010068096
                   +1 :              -0.00004415531473
                3p
                   -1 :               0.00017580919161
                   +0 :              -0.00018231579467
                   +1 :               0.00003885664611
                3d
                   -2 :               0.00001640289990
                   -1 :              -0.00001171540037
                   +0 :               0.00001084772645
                   +1 :               0.00000066764880
                   +2 :               0.00000729430104
             12 vec=    10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00012886337045
                2s
                   +0 :              -0.00132287756157
                3s
                   +0 :               0.00005079166480
                2p
                   -1 :              -0.00055607425247
                   +0 :              -0.00014157726631
                   +1 :               0.00005262894309
                3p
                   -1 :              -0.00000492071289
                   +0 :              -0.00034330645506
                   +1 :              -0.00024726837643
                3d
                   -2 :              -0.00004773651945
                   -1 :              -0.00007112310318
                   +0 :              -0.00001539514393
                   +1 :              -0.00006181622258
                   +2 :              -0.00000461179337
             13 vec=    10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00006215502975
                2s
                   +0 :               0.00071206674232
                3s
                   +0 :              -0.00009758925921
                2p
                   -1 :               0.00014818423564
                   +0 :              -0.00038169044426
                   +1 :               0.00027125425119
                3p
                   -1 :              -0.00005095478027
                   +0 :               0.00005543024737
                   +1 :              -0.00010923866225
                3d
                   -2 :               0.00001047693551
                   -1 :              -0.00000243817023
                   +0 :               0.00000919029449
                   +1 :              -0.00001109277130
                   +2 :               0.00000356500499
             14 vec=    10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00003941120936
                2s
                   +0 :               0.00046149993810
                3s
                   +0 :              -0.00004899750060
                2p
                   -1 :              -0.00001161957410
                   +0 :               0.00003156852433
                   +1 :               0.00026765384597
                3p
                   -1 :               0.00005618824565
                   +0 :               0.00003401799178
                   +1 :              -0.00005235730425
                3d
                   -2 :               0.00000873391013
                   -1 :               0.00000307490589
                   +0 :              -0.00000390842254
                   +1 :               0.00000165087633
                   +2 :              -0.00000125564995
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 20)  npairs=  14
              1 vec=    -2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00012429637154
                2s
                   +0 :              -0.00129898744234
                3s
                   +0 :               0.00030609929617
                2p
                   -1 :               0.00042996150982
                   +0 :               0.00056318567086
                   +1 :              -0.00035197803001
                3p
                   -1 :              -0.00028701737546
                   +0 :              -0.00026887373489
                   +1 :               0.00010508267020
                3d
                   -2 :              -0.00001407152561
                   -1 :               0.00001057076075
                   +0 :               0.00003278808869
                   +1 :               0.00000602016533
                   +2 :              -0.00002120224399
              2 vec=    -2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004213237570
                2s
                   +0 :               0.00064291827514
                3s
                   +0 :              -0.00010363520404
                2p
                   -1 :               0.00000300853342
                   +0 :               0.00042760356014
                   +1 :              -0.00005720971973
                3p
                   -1 :               0.00000346126362
                   +0 :              -0.00000552791162
                   +1 :              -0.00008204779935
                3d
                   -2 :              -0.00000984430164
                   -1 :              -0.00002077895749
                   +0 :               0.00002938508452
                   +1 :              -0.00003842810784
                   +2 :               0.00001005217587
              3 vec=     5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001138886011
                2s
                   +0 :               0.00051303599027
                3s
                   +0 :               0.00015367474605
                2p
                   -1 :              -0.00042882238963
                   +0 :              -0.00014905872005
                   +1 :              -0.00039443346722
                3p
                   -1 :               0.00012398742447
                   +0 :              -0.00030369338853
                   +1 :               0.00027161613207
                3d
                   -2 :              -0.00000627426214
                   -1 :               0.00003673894786
                   +0 :               0.00005032878598
                   +1 :              -0.00002733151012
                   +2 :               0.00000286005049
              4 vec=     5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001144829471
                2s
                   +0 :               0.00017737482623
                3s
                   +0 :              -0.00005857520264
                2p
                   -1 :              -0.00081156225994
                   +0 :              -0.00002991189655
                   +1 :               0.00054546870721
                3p
                   -1 :               0.00031015753086
                   +0 :               0.00014493818502
                   +1 :              -0.00014510801497
                3d
                   -2 :               0.00000877617904
                   -1 :              -0.00002758281907
                   +0 :               0.00005520077803
                   +1 :               0.00001296296654
                   +2 :              -0.00003763479995
              5 vec=     5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00005160237347
                2s
                   +0 :               0.00054373517910
                3s
                   +0 :              -0.00010194955571
                2p
                   -1 :              -0.00007201366260
                   +0 :              -0.00029808232369
                   +1 :              -0.00005222439776
                3p
                   -1 :               0.00003909784115
                   +0 :               0.00001240271335
                   +1 :              -0.00002090482620
                3d
                   -2 :              -0.00000219167473
                   -1 :               0.00000239904943
                   +0 :              -0.00000432807295
                   +1 :               0.00000410132985
                   +2 :               0.00001060616132
              6 vec=     5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00023592023513
                2s
                   +0 :               0.00190813146795
                3s
                   +0 :              -0.00048286990542
                2p
                   -1 :               0.00047919761801
                   +0 :               0.00069381935355
                   +1 :               0.00025335680084
                3p
                   -1 :              -0.00036653653702
                   +0 :              -0.00020625131202
                   +1 :               0.00006173003725
                3d
                   -2 :              -0.00001150374393
                   -1 :              -0.00002415591043
                   +0 :               0.00000865356459
                   +1 :               0.00004558993285
                   +2 :               0.00000980822237
              7 vec=    -2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00000093834750
                2s
                   +0 :               0.00002434044844
                3s
                   +0 :               0.00000541404781
                2p
                   -1 :               0.00032643890718
                   +0 :               0.00021236411597
                   +1 :              -0.00012671601673
                3p
                   -1 :              -0.00016213515585
                   +0 :              -0.00031143948271
                   +1 :               0.00001971311023
                3d
                   -2 :               0.00001628765952
                   -1 :               0.00001814540826
                   +0 :               0.00002546192035
                   +1 :              -0.00000105089365
                   +2 :              -0.00001619492566
              8 vec=    -2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00006476503228
                2s
                   +0 :               0.00068710267446
                3s
                   +0 :               0.00000287477795
                2p
                   -1 :               0.00003992436851
                   +0 :              -0.00002670603305
                   +1 :               0.00041849817885
                3p
                   -1 :              -0.00018465086033
                   +0 :               0.00029847213960
                   +1 :              -0.00019408805423
                3d
                   -2 :              -0.00000694931871
                   -1 :              -0.00004854904767
                   +0 :               0.00004123825864
                   +1 :               0.00001042268796
                   +2 :              -0.00002813191687
              9 vec=    -2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00004098246879
                2s
                   +0 :              -0.00035911057497
                3s
                   +0 :               0.00006681561674
                2p
                   -1 :              -0.00019916406823
                   +0 :               0.00008552261165
                   +1 :              -0.00006871343350
                3p
                   -1 :               0.00008545401312
                   +0 :               0.00001882054849
                   +1 :               0.00001414330599
                3d
                   -2 :              -0.00000077088847
                   -1 :               0.00000579625726
                   +0 :              -0.00001015116626
                   +1 :              -0.00000389345218
                   +2 :              -0.00000062727817
             10 vec=    -2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001580933162
                2s
                   +0 :               0.00013663825852
                3s
                   +0 :              -0.00002611471645
                2p
                   -1 :              -0.00006807514978
                   +0 :               0.00004892583341
                   +1 :              -0.00023552655075
                3p
                   -1 :               0.00007329261551
                   +0 :              -0.00009465008109
                   +1 :               0.00016556590250
                3d
                   -2 :              -0.00000074992441
                   -1 :               0.00000347348434
                   +0 :              -0.00000450551482
                   +1 :               0.00001193557703
                   +2 :              -0.00000070812161
             11 vec=   -10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00005569481583
                2s
                   +0 :              -0.00050634937062
                3s
                   +0 :               0.00013153147614
                2p
                   -1 :               0.00020800188661
                   +0 :               0.00036904040086
                   +1 :               0.00023269151966
                3p
                   -1 :              -0.00013608623741
                   +0 :              -0.00015336075718
                   +1 :              -0.00010939903742
                3d
                   -2 :               0.00000066114686
                   -1 :               0.00000878444307
                   +0 :               0.00000760447075
                   +1 :               0.00001049680704
                   +2 :               0.00001226965043
             12 vec=   -10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001498746735
                2s
                   +0 :               0.00016430922640
                3s
                   +0 :              -0.00003100653882
                2p
                   -1 :               0.00022125800818
                   +0 :               0.00002916388514
                   +1 :              -0.00018956634301
                3p
                   -1 :              -0.00018741168629
                   +0 :              -0.00015623775236
                   +1 :               0.00011707577914
                3d
                   -2 :               0.00001019025237
                   -1 :              -0.00002420502763
                   +0 :              -0.00000982332783
                   +1 :               0.00001152520071
                   +2 :              -0.00000904420367
             13 vec=   -10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00003513806484
                2s
                   +0 :              -0.00045412102521
                3s
                   +0 :               0.00002898607583
                2p
                   -1 :              -0.00014321458249
                   +0 :               0.00000875129330
                   +1 :               0.00018084658220
                3p
                   -1 :               0.00002055723258
                   +0 :               0.00007277725886
                   +1 :              -0.00002281794416
                3d
                   -2 :               0.00000243455038
                   -1 :               0.00000012790414
                   +0 :              -0.00000036693753
                   +1 :              -0.00000511757355
                   +2 :               0.00000274822280
             14 vec=   -10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001287820037
                2s
                   +0 :              -0.00020392880357
                3s
                   +0 :               0.00001892736778
                2p
                   -1 :              -0.00008580669624
                   +0 :              -0.00021021450294
                   +1 :               0.00013322621687
                3p
                   -1 :               0.00001458384632
                   +0 :               0.00000173407781
                   +1 :              -0.00005992419634
                3d
                   -2 :               0.00000365862705
                   -1 :              -0.00000621519938
                   +0 :              -0.00000027890808
                   +1 :               0.00000400758944
                   +2 :              -0.00000422381365
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 21)  npairs=  18
              1 vec=     0.000000     -3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00012887875009
                2s
                   +0 :              -0.00099520819397
                3s
                   +0 :               0.00047578506642
                2p
                   -1 :               0.00011771302151
                   +0 :               0.00069709324612
                   +1 :               0.00027244245858
                3p
                   -1 :               0.00006484563807
                   +0 :              -0.00059254365562
                   +1 :              -0.00018901101212
                3d
                   -2 :               0.00000869470565
                   -1 :              -0.00000409473079
                   +0 :               0.00006051220802
                   +1 :              -0.00000077168371
                   +2 :               0.00002871987224
              2 vec=     0.000000     -3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00010121639642
                2s
                   +0 :               0.00078400072323
                3s
                   +0 :              -0.00037020679594
                2p
                   -1 :              -0.00025702699049
                   +0 :               0.00061630664313
                   +1 :               0.00089624546865
                3p
                   -1 :               0.00002710169388
                   +0 :              -0.00065133322261
                   +1 :              -0.00037113057064
                3d
                   -2 :               0.00002114244331
                   -1 :              -0.00002219963153
                   +0 :              -0.00008711708747
                   +1 :               0.00002395094355
                   +2 :              -0.00000400635998
              3 vec=     0.000000      5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00007748720207
                2s
                   +0 :              -0.00053313581379
                3s
                   +0 :               0.00016158967304
                2p
                   -1 :              -0.00024512334631
                   +0 :               0.00014997902751
                   +1 :              -0.00077233784291
                3p
                   -1 :               0.00012294459414
                   +0 :              -0.00001088889955
                   +1 :               0.00000969848347
                3d
                   -2 :              -0.00002094138082
                   -1 :              -0.00000072353714
                   +0 :               0.00001243959851
                   +1 :               0.00007205217934
                   +2 :              -0.00001681496314
              4 vec=     0.000000      5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00011594461494
                2s
                   +0 :               0.00086674861729
                3s
                   +0 :              -0.00018395578346
                2p
                   -1 :               0.00012907097277
                   +0 :               0.00022392937809
                   +1 :              -0.00076871724222
                3p
                   -1 :               0.00000667290694
                   +0 :               0.00000388318547
                   +1 :              -0.00002406162143
                3d
                   -2 :              -0.00002550085415
                   -1 :               0.00001973667299
                   +0 :              -0.00000997031568
                   +1 :              -0.00010137778178
                   +2 :               0.00003575810026
              5 vec=    -7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00012833640202
                2s
                   +0 :              -0.00174463587845
                3s
                   +0 :               0.00015961881942
                2p
                   -1 :              -0.00037975566646
                   +0 :               0.00081108218268
                   +1 :               0.00016390130379
                3p
                   -1 :               0.00008825022334
                   +0 :               0.00012543819651
                   +1 :               0.00020478040854
                3d
                   -2 :               0.00004831901373
                   -1 :               0.00002913869782
                   +0 :              -0.00005339252055
                   +1 :              -0.00004110972844
                   +2 :              -0.00002439029993
              6 vec=    -7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00002813425446
                2s
                   +0 :              -0.00024341405697
                3s
                   +0 :               0.00011219386886
                2p
                   -1 :              -0.00018467635357
                   +0 :              -0.00056195000757
                   +1 :              -0.00009830313261
                3p
                   -1 :               0.00013626473962
                   +0 :               0.00027764668659
                   +1 :               0.00008556240106
                3d
                   -2 :               0.00000559166547
                   -1 :               0.00000446607259
                   +0 :               0.00002051739321
                   +1 :               0.00000338439186
                   +2 :              -0.00000528820687
              7 vec=     7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00007709571751
                2s
                   +0 :               0.00072346301971
                3s
                   +0 :              -0.00019069053120
                2p
                   -1 :               0.00025700119278
                   +0 :              -0.00041162309785
                   +1 :              -0.00010155406271
                3p
                   -1 :              -0.00014781643215
                   +0 :               0.00017703135558
                   +1 :               0.00008722033580
                3d
                   -2 :               0.00000766784062
                   -1 :               0.00000480274369
                   +0 :              -0.00002071501743
                   +1 :              -0.00000641558998
                   +2 :               0.00000345742532
              8 vec=     7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005347753903
                2s
                   +0 :               0.00061767355325
                3s
                   +0 :              -0.00013761394566
                2p
                   -1 :               0.00055288177342
                   +0 :               0.00023965443203
                   +1 :              -0.00045861976470
                3p
                   -1 :              -0.00031496268756
                   +0 :               0.00006518969761
                   +1 :               0.00047692582204
                3d
                   -2 :               0.00006435109989
                   -1 :               0.00000478606369
                   +0 :               0.00005445017602
                   +1 :               0.00002351293974
                   +2 :               0.00001740329257
              9 vec=    -7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001052095477
                2s
                   +0 :              -0.00001025274871
                3s
                   +0 :              -0.00009801608682
                2p
                   -1 :              -0.00001863619291
                   +0 :              -0.00015060207114
                   +1 :              -0.00012621332963
                3p
                   -1 :               0.00012175497665
                   +0 :               0.00021216404261
                   +1 :               0.00012843291289
                3d
                   -2 :              -0.00000998005554
                   -1 :              -0.00000884280187
                   +0 :              -0.00001521854118
                   +1 :              -0.00000935455859
                   +2 :               0.00000667872670
             10 vec=    -7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00004015040205
                2s
                   +0 :               0.00032727154000
                3s
                   +0 :              -0.00007124960962
                2p
                   -1 :              -0.00008157569094
                   +0 :               0.00003760817766
                   +1 :              -0.00016118481322
                3p
                   -1 :               0.00007201698883
                   +0 :               0.00002758124637
                   +1 :               0.00005294581497
                3d
                   -2 :               0.00000219415730
                   -1 :               0.00000729585787
                   +0 :               0.00000311285045
                   +1 :              -0.00002105312910
                   +2 :               0.00000822572768
             11 vec=     7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002324617743
                2s
                   +0 :               0.00032552205149
                3s
                   +0 :              -0.00001397862846
                2p
                   -1 :               0.00015699331341
                   +0 :              -0.00008287901565
                   +1 :               0.00004311649610
                3p
                   -1 :              -0.00012229738752
                   +0 :              -0.00002656957009
                   +1 :               0.00000306283954
                3d
                   -2 :               0.00000032533177
                   -1 :               0.00000225694891
                   +0 :               0.00000441977886
                   +1 :               0.00000209899034
                   +2 :              -0.00000297713274
             12 vec=     7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00026742384655
                2s
                   +0 :              -0.00225663137052
                3s
                   +0 :               0.00048718782632
                2p
                   -1 :               0.00064031503434
                   +0 :              -0.00037220347056
                   +1 :              -0.00013631149272
                3p
                   -1 :              -0.00016217992011
                   +0 :              -0.00005804568677
                   +1 :               0.00033449106208
                3d
                   -2 :              -0.00002190426011
                   -1 :               0.00003347360229
                   +0 :              -0.00002402501600
                   +1 :               0.00004950943744
                   +2 :               0.00001506902609
             13 vec=     0.000000    -12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00003589595145
                2s
                   +0 :               0.00032852423429
                3s
                   +0 :              -0.00007002895994
                2p
                   -1 :              -0.00003858442881
                   +0 :              -0.00006709970929
                   +1 :              -0.00012662499204
                3p
                   -1 :              -0.00000552978235
                   +0 :              -0.00001706786996
                   +1 :               0.00009053113317
                3d
                   -2 :              -0.00000343361940
                   -1 :               0.00000180098472
                   +0 :               0.00000348849102
                   +1 :              -0.00000879575425
                   +2 :              -0.00000060029652
             14 vec=     0.000000    -12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002106042310
                2s
                   +0 :               0.00023201082760
                3s
                   +0 :              -0.00003019547480
                2p
                   -1 :              -0.00007563342486
                   +0 :               0.00015220494093
                   +1 :               0.00011320291660
                3p
                   -1 :               0.00000956008180
                   +0 :              -0.00007333565044
                   +1 :              -0.00001664551822
                3d
                   -2 :              -0.00000103084933
                   -1 :               0.00000246029396
                   +0 :               0.00000332876089
                   +1 :              -0.00000154241793
                   +2 :              -0.00000644686649
             15 vec=    -7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000026130500
                2s
                   +0 :              -0.00012851707642
                3s
                   +0 :              -0.00003985148289
                2p
                   -1 :              -0.00010433145145
                   +0 :              -0.00004710190374
                   +1 :               0.00010077515510
                3p
                   -1 :               0.00003158338372
                   +0 :               0.00004127960213
                   +1 :              -0.00005480140905
                3d
                   -2 :              -0.00000583005830
                   -1 :              -0.00000100997409
                   +0 :              -0.00000357131921
                   +1 :               0.00000595439384
                   +2 :              -0.00000098096042
             16 vec=    -7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001257133859
                2s
                   +0 :               0.00009859630578
                3s
                   +0 :              -0.00003841184220
                2p
                   -1 :              -0.00000177043709
                   +0 :               0.00005777609334
                   +1 :              -0.00008212592449
                3p
                   -1 :               0.00000080560883
                   +0 :              -0.00005505513541
                   +1 :               0.00003166719051
                3d
                   -2 :               0.00000600596143
                   -1 :              -0.00000066017795
                   +0 :              -0.00000025811589
                   +1 :               0.00000309396978
                   +2 :              -0.00000080793512
             17 vec=     7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000644213961
                2s
                   +0 :               0.00001998666142
                3s
                   +0 :               0.00004155773674
                2p
                   -1 :              -0.00002640147796
                   +0 :               0.00005058891913
                   +1 :              -0.00004300345545
                3p
                   -1 :               0.00005592787745
                   +0 :              -0.00007099575077
                   +1 :              -0.00001414599499
                3d
                   -2 :               0.00000347978722
                   -1 :              -0.00001052798430
                   +0 :               0.00000574612641
                   +1 :              -0.00000230380204
                   +2 :              -0.00000125165300
             18 vec=     7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000139513964
                2s
                   +0 :               0.00010322744763
                3s
                   +0 :               0.00003544310687
                2p
                   -1 :               0.00012380622048
                   +0 :              -0.00002311738889
                   +1 :               0.00017525318447
                3p
                   -1 :              -0.00005521469482
                   +0 :              -0.00001329059525
                   +1 :              -0.00011637431799
                3d
                   -2 :              -0.00001118004915
                   -1 :              -0.00000453800491
                   +0 :               0.00000008944183
                   +1 :              -0.00000936785915
                   +2 :              -0.00000105691293
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 22)  npairs=  12
              1 vec=    -2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00412972469829
                2s
                   +0 :              -0.06792270668196
                3s
                   +0 :               0.00773263224826
                2p
                   -1 :              -0.03254973965783
                   +0 :              -0.00206600995517
                   +1 :               0.01114516855926
                3p
                   -1 :              -0.00063496167268
                   +0 :               0.00117430917619
                   +1 :              -0.00337936029393
                3d
                   -2 :               0.00093394983352
                   -1 :              -0.00069363660461
                   +0 :               0.00212124897134
                   +1 :              -0.00049813225414
                   +2 :               0.00284473148968
              2 vec=    -2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00100064266113
                2s
                   +0 :              -0.01430255144323
                3s
                   +0 :              -0.00557311355567
                2p
                   -1 :               0.01543019929384
                   +0 :              -0.00719699898803
                   +1 :              -0.00010505618404
                3p
                   -1 :               0.00693210871008
                   +0 :               0.00595800643881
                   +1 :               0.00171540411522
                3d
                   -2 :              -0.00080294629744
                   -1 :              -0.00033346892566
                   +0 :               0.00091909026650
                   +1 :              -0.00010777490114
                   +2 :               0.00192581692410
              3 vec=     5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00289010318491
                2s
                   +0 :               0.04773103479532
                3s
                   +0 :              -0.00206641537754
                2p
                   -1 :              -0.00603140542084
                   +0 :               0.00176917735088
                   +1 :               0.02095896302256
                3p
                   -1 :               0.00404321810661
                   +0 :               0.00085797605133
                   +1 :               0.00402229939093
                3d
                   -2 :               0.00109650633421
                   -1 :               0.00033939807162
                   +0 :              -0.00094756488963
                   +1 :              -0.00083788374340
                   +2 :               0.00247612687309
              4 vec=   -10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00118315398076
                2s
                   +0 :              -0.01020974369069
                3s
                   +0 :               0.00274078108767
                2p
                   -1 :              -0.00183406400436
                   +0 :               0.00060889756470
                   +1 :               0.01199971803865
                3p
                   -1 :               0.00180403123882
                   +0 :              -0.00049781833094
                   +1 :              -0.00218330093531
                3d
                   -2 :              -0.00007570964081
                   -1 :              -0.00015745559743
                   +0 :               0.00027037384377
                   +1 :              -0.00021862990173
                   +2 :              -0.00029013186205
              5 vec=     5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00021037155681
                2s
                   +0 :               0.00284426173110
                3s
                   +0 :               0.00013158227701
                2p
                   -1 :               0.00169693199433
                   +0 :               0.00012406293639
                   +1 :               0.00021039263674
                3p
                   -1 :               0.00017757760054
                   +0 :              -0.00003126556690
                   +1 :               0.00027923282931
                3d
                   -2 :               0.00016740756235
                   -1 :              -0.00000739858598
                   +0 :              -0.00003368322869
                   +1 :              -0.00006076267329
                   +2 :               0.00004944906566
              6 vec=     5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00088780400116
                2s
                   +0 :               0.00772492870295
                3s
                   +0 :              -0.00196086224502
                2p
                   -1 :              -0.00438868991178
                   +0 :               0.00188650962080
                   +1 :               0.00129993933989
                3p
                   -1 :               0.00107716156457
                   +0 :              -0.00138684128621
                   +1 :               0.00027039058693
                3d
                   -2 :              -0.00018288713595
                   -1 :               0.00008251797125
                   +0 :              -0.00008485297925
                   +1 :               0.00007402430412
                   +2 :              -0.00008373993490
              7 vec=   -10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00005393166024
                2s
                   +0 :              -0.00081169957714
                3s
                   +0 :               0.00005019398061
                2p
                   -1 :               0.00015755701702
                   +0 :               0.00041784993477
                   +1 :               0.00086162657977
                3p
                   -1 :              -0.00005810134930
                   +0 :              -0.00030194070113
                   +1 :              -0.00022863415145
                3d
                   -2 :              -0.00002384096445
                   -1 :              -0.00001305719646
                   +0 :               0.00003474138555
                   +1 :               0.00001787926935
                   +2 :              -0.00000102301632
              8 vec=    -2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00002567440063
                2s
                   +0 :               0.00018120640431
                3s
                   +0 :              -0.00008788973357
                2p
                   -1 :              -0.00002473688489
                   +0 :               0.00006930849156
                   +1 :              -0.00021810342798
                3p
                   -1 :               0.00003301072126
                   +0 :              -0.00010706749375
                   +1 :               0.00006419244071
                3d
                   -2 :              -0.00002916704930
                   -1 :               0.00001560124027
                   +0 :               0.00001224486969
                   +1 :              -0.00000727026128
                   +2 :              -0.00004127595114
              9 vec=   -10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00008999539686
                2s
                   +0 :              -0.00090014936932
                3s
                   +0 :               0.00028240753185
                2p
                   -1 :               0.00070406864048
                   +0 :              -0.00012251232445
                   +1 :               0.00067500623286
                3p
                   -1 :              -0.00003327223511
                   +0 :               0.00002841238721
                   +1 :              -0.00040412802055
                3d
                   -2 :              -0.00003874380703
                   -1 :               0.00000372782856
                   +0 :               0.00000086179758
                   +1 :              -0.00000137534237
                   +2 :               0.00005757182302
             10 vec=    13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00003777268276
                2s
                   +0 :               0.00059360433351
                3s
                   +0 :               0.00004746661014
                2p
                   -1 :               0.00019677614878
                   +0 :               0.00018204892314
                   +1 :               0.00030468949329
                3p
                   -1 :               0.00006378541853
                   +0 :              -0.00002478969962
                   +1 :              -0.00003055189466
                3d
                   -2 :               0.00002705631624
                   -1 :               0.00003601275763
                   +0 :              -0.00006204162374
                   +1 :               0.00001094440633
                   +2 :              -0.00001440616432
             11 vec=    -2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00010032066219
                2s
                   +0 :               0.00097954835451
                3s
                   +0 :              -0.00015608886391
                2p
                   -1 :              -0.00063735869564
                   +0 :               0.00009598714620
                   +1 :              -0.00047712294490
                3p
                   -1 :               0.00005457380108
                   +0 :              -0.00013066586781
                   +1 :               0.00017283046047
                3d
                   -2 :               0.00001794736429
                   -1 :               0.00002060336767
                   +0 :              -0.00000132423097
                   +1 :               0.00000477972169
                   +2 :              -0.00002495684468
             12 vec=    13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00009388304631
                2s
                   +0 :               0.00099117151416
                3s
                   +0 :              -0.00023229604596
                2p
                   -1 :              -0.00145766990812
                   +0 :               0.00027450950278
                   +1 :               0.00050682059667
                3p
                   -1 :               0.00070819379481
                   +0 :               0.00005190899056
                   +1 :              -0.00027777045619
                3d
                   -2 :               0.00000192885049
                   -1 :               0.00000710062584
                   +0 :              -0.00002887467009
                   +1 :              -0.00000042748200
                   +2 :               0.00000051243270
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 23)  npairs=  12
              1 vec=     2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00263324077747
                2s
                   +0 :               0.05481756505401
                3s
                   +0 :              -0.00654249166088
                2p
                   -1 :               0.03220119252202
                   +0 :              -0.00160306420945
                   +1 :               0.01111141794881
                3p
                   -1 :              -0.00188499272784
                   +0 :               0.00259392846196
                   +1 :              -0.00392449428042
                3d
                   -2 :               0.00081373425087
                   -1 :              -0.00046958433783
                   +0 :              -0.00156118020642
                   +1 :               0.00024875856604
                   +2 :              -0.00200001498133
              2 vec=    -5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00258104165959
                2s
                   +0 :              -0.06261786434331
                3s
                   +0 :               0.00110350248942
                2p
                   -1 :               0.00168193336746
                   +0 :              -0.00285691722830
                   +1 :               0.04430567959003
                3p
                   -1 :              -0.00044275718465
                   +0 :               0.00308700789936
                   +1 :               0.00269087937315
                3d
                   -2 :              -0.00004416258770
                   -1 :               0.00143495790339
                   +0 :               0.00190335615546
                   +1 :              -0.00052645035775
                   +2 :              -0.00354437469578
              3 vec=     2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00096369906195
                2s
                   +0 :               0.02150650594260
                3s
                   +0 :               0.00197971263586
                2p
                   -1 :              -0.00853527432322
                   +0 :              -0.00302380743090
                   +1 :               0.00300628423853
                3p
                   -1 :              -0.00397730706127
                   +0 :               0.00589988598941
                   +1 :               0.00048860796298
                3d
                   -2 :              -0.00116514783975
                   -1 :               0.00026581669153
                   +0 :              -0.00156370732004
                   +1 :              -0.00009440411671
                   +2 :              -0.00228362120073
              4 vec=    -5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00034097134822
                2s
                   +0 :              -0.00433309309030
                3s
                   +0 :               0.00013853638117
                2p
                   -1 :              -0.00519274258615
                   +0 :               0.00000887549994
                   +1 :               0.00426444616391
                3p
                   -1 :               0.00039460350349
                   +0 :               0.00014734712331
                   +1 :              -0.00089228887995
                3d
                   -2 :               0.00017936384021
                   -1 :               0.00014692254736
                   +0 :              -0.00001822812090
                   +1 :               0.00000571349396
                   +2 :               0.00012373012505
              5 vec=    10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00113620471163
                2s
                   +0 :               0.01013490934040
                3s
                   +0 :              -0.00180233861283
                2p
                   -1 :               0.00279103780443
                   +0 :               0.00206163234333
                   +1 :               0.00609254507048
                3p
                   -1 :              -0.00248857855819
                   +0 :              -0.00069579734136
                   +1 :              -0.00029083487320
                3d
                   -2 :              -0.00025779386578
                   -1 :              -0.00012686357740
                   +0 :              -0.00031464962130
                   +1 :               0.00029151199601
                   +2 :               0.00032863723884
              6 vec=    -5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00031592624856
                2s
                   +0 :              -0.00225708539554
                3s
                   +0 :               0.00096904739096
                2p
                   -1 :               0.00203561473996
                   +0 :               0.00103995073579
                   +1 :              -0.00047461680761
                3p
                   -1 :              -0.00038209406876
                   +0 :              -0.00088642521295
                   +1 :               0.00026492531254
                3d
                   -2 :               0.00009785569863
                   -1 :              -0.00004390992301
                   +0 :              -0.00004417454510
                   +1 :               0.00006950664146
                   +2 :              -0.00001706474014
              7 vec=     2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00002281330642
                2s
                   +0 :              -0.00042179743066
                3s
                   +0 :               0.00004161514016
                2p
                   -1 :              -0.00087442950021
                   +0 :               0.00000555766105
                   +1 :              -0.00039842677071
                3p
                   -1 :               0.00029552857911
                   +0 :               0.00005035863273
                   +1 :              -0.00012891780973
                3d
                   -2 :              -0.00003413041850
                   -1 :               0.00000433587774
                   +0 :               0.00000139866537
                   +1 :              -0.00000138151681
                   +2 :               0.00000903081047
              8 vec=    10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00008075000036
                2s
                   +0 :               0.00124738870640
                3s
                   +0 :              -0.00001799740907
                2p
                   -1 :               0.00075455458826
                   +0 :               0.00015762494427
                   +1 :               0.00038500286171
                3p
                   -1 :              -0.00028687697036
                   +0 :              -0.00012113303859
                   +1 :               0.00009265215022
                3d
                   -2 :              -0.00000335715146
                   -1 :              -0.00001212255247
                   +0 :              -0.00002782582879
                   +1 :               0.00001125153513
                   +2 :               0.00002763109843
              9 vec=   -13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00007159762844
                2s
                   +0 :              -0.00096456670228
                3s
                   +0 :               0.00010093809002
                2p
                   -1 :              -0.00062670918419
                   +0 :               0.00024158728498
                   +1 :               0.00048383273359
                3p
                   -1 :              -0.00001068536838
                   +0 :              -0.00025940286012
                   +1 :              -0.00005355088651
                3d
                   -2 :               0.00003500392177
                   -1 :               0.00000722332918
                   +0 :               0.00002526494803
                   +1 :              -0.00000480025406
                   +2 :               0.00003221837735
             10 vec=    10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00008085642638
                2s
                   +0 :               0.00070811613090
                3s
                   +0 :              -0.00027620865938
                2p
                   -1 :               0.00016387235840
                   +0 :               0.00046295967010
                   +1 :               0.00061447971893
                3p
                   -1 :              -0.00016010372469
                   +0 :              -0.00000726414901
                   +1 :              -0.00024376737527
                3d
                   -2 :              -0.00001179591734
                   -1 :              -0.00000445828915
                   +0 :              -0.00005386972660
                   +1 :               0.00000124808587
                   +2 :              -0.00002309088174
             11 vec=   -13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00010703482972
                2s
                   +0 :              -0.00112110608865
                3s
                   +0 :               0.00020162496276
                2p
                   -1 :               0.00052913897866
                   +0 :              -0.00026813860382
                   +1 :               0.00062999367863
                3p
                   -1 :              -0.00009350406552
                   +0 :               0.00012836277342
                   +1 :              -0.00029742408649
                3d
                   -2 :               0.00001779169668
                   -1 :               0.00000301362376
                   +0 :               0.00001137465869
                   +1 :              -0.00002811394681
                   +2 :               0.00004562314532
             12 vec=     2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00000741061794
                2s
                   +0 :              -0.00006054595998
                3s
                   +0 :               0.00006457283220
                2p
                   -1 :               0.00016951834127
                   +0 :               0.00011844177622
                   +1 :              -0.00004168024734
                3p
                   -1 :              -0.00008482751630
                   +0 :               0.00004049834420
                   +1 :              -0.00011167999910
                3d
                   -2 :               0.00001481666404
                   -1 :              -0.00004123069308
                   +0 :              -0.00004449340650
                   +1 :               0.00001075913420
                   +2 :               0.00001401554980
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 24)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00577635537197
                2s
                   +0 :              -0.07855348574376
                3s
                   +0 :               0.01109803478487
                2p
                   -1 :              -0.01892786798908
                   +0 :              -0.01651344734495
                   +1 :               0.92656920434055
                3p
                   -1 :               0.00672176004962
                   +0 :               0.00454110829137
                   +1 :              -0.05621831633221
                3d
                   -2 :              -0.00003025328492
                   -1 :              -0.00203762598850
                   +0 :               0.00151634293548
                   +1 :              -0.00171267243564
                   +2 :              -0.00250100636193
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00041534496470
                2s
                   +0 :              -0.00275468969638
                3s
                   +0 :               0.00080300435719
                2p
                   -1 :               0.00551738221415
                   +0 :               0.00045830782394
                   +1 :              -0.00057969779275
                3p
                   -1 :              -0.00141609381275
                   +0 :              -0.00080313964347
                   +1 :               0.00053143776599
                3d
                   -2 :              -0.00025593350137
                   -1 :               0.00000227687268
                   +0 :               0.00000334654986
                   +1 :               0.00002985965951
                   +2 :              -0.00002210572005
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00023248432012
                2s
                   +0 :              -0.00180243022772
                3s
                   +0 :               0.00045315880699
                2p
                   -1 :              -0.00202529669408
                   +0 :              -0.00029102101818
                   +1 :               0.00106321607728
                3p
                   -1 :               0.00097181239700
                   +0 :              -0.00058021721013
                   +1 :               0.00009123357373
                3d
                   -2 :              -0.00014746536958
                   -1 :              -0.00024115552534
                   +0 :               0.00049201799073
                   +1 :               0.00037954877768
                   +2 :               0.00000521432386
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00023851301140
                2s
                   +0 :               0.00268807595013
                3s
                   +0 :              -0.00009621604078
                2p
                   -1 :               0.00131684770239
                   +0 :               0.00090217681256
                   +1 :              -0.00145392078007
                3p
                   -1 :              -0.00033098327292
                   +0 :              -0.00080528598554
                   +1 :              -0.00212230586802
                3d
                   -2 :               0.00045472664982
                   -1 :              -0.00024394166620
                   +0 :              -0.00006244776418
                   +1 :              -0.00001843857671
                   +2 :               0.00019409575072
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00030376513083
                2s
                   +0 :              -0.00299651564478
                3s
                   +0 :               0.00076351291963
                2p
                   -1 :              -0.00277137950600
                   +0 :               0.00017925533504
                   +1 :              -0.00493811241937
                3p
                   -1 :               0.00094783072250
                   +0 :              -0.00003021179300
                   +1 :               0.00122860271380
                3d
                   -2 :              -0.00019104364943
                   -1 :              -0.00008224027609
                   +0 :              -0.00005081370648
                   +1 :              -0.00000000341267
                   +2 :               0.00005242358755
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00015613272911
                2s
                   +0 :               0.00124773536700
                3s
                   +0 :              -0.00086560508798
                2p
                   -1 :              -0.00276199863437
                   +0 :               0.00118569540066
                   +1 :               0.00146633518753
                3p
                   -1 :               0.00138160664471
                   +0 :               0.00038731178688
                   +1 :              -0.00136235738490
                3d
                   -2 :               0.00015838292370
                   -1 :              -0.00015427881242
                   +0 :               0.00014435224261
                   +1 :               0.00026009704288
                   +2 :              -0.00004970898067
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00068647763977
                2s
                   +0 :               0.00504345154023
                3s
                   +0 :              -0.00157791174929
                2p
                   -1 :               0.00342949032100
                   +0 :               0.00016304856814
                   +1 :               0.00093129530747
                3p
                   -1 :              -0.00195206965169
                   +0 :               0.00028811487880
                   +1 :              -0.00048233215358
                3d
                   -2 :              -0.00009919684382
                   -1 :               0.00003587797651
                   +0 :              -0.00009277330482
                   +1 :              -0.00005264057894
                   +2 :              -0.00007922997807
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00011130537323
                2s
                   +0 :              -0.00139165183456
                3s
                   +0 :               0.00007865223286
                2p
                   -1 :              -0.00007499727507
                   +0 :               0.00016148228070
                   +1 :               0.00095638738727
                3p
                   -1 :              -0.00012260358123
                   +0 :              -0.00010234046789
                   +1 :              -0.00001962828912
                3d
                   -2 :               0.00005589075137
                   -1 :               0.00003303831856
                   +0 :               0.00003899434129
                   +1 :              -0.00002901408383
                   +2 :              -0.00005821357013
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000524379157
                2s
                   +0 :              -0.00009737104684
                3s
                   +0 :              -0.00001464683732
                2p
                   -1 :               0.00049363364753
                   +0 :               0.00005957144689
                   +1 :               0.00000865367192
                3p
                   -1 :              -0.00024031588476
                   +0 :              -0.00014046356097
                   +1 :               0.00000689320134
                3d
                   -2 :              -0.00000675768197
                   -1 :               0.00002355918071
                   +0 :              -0.00002406881881
                   +1 :               0.00002601657792
                   +2 :              -0.00003301245171
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00011460267221
                2s
                   +0 :              -0.00116169317556
                3s
                   +0 :               0.00016596022129
                2p
                   -1 :              -0.00049732423388
                   +0 :              -0.00001260257036
                   +1 :               0.00017941252024
                3p
                   -1 :              -0.00005207491817
                   +0 :               0.00005648338413
                   +1 :               0.00008359412093
                3d
                   -2 :               0.00004165251906
                   -1 :               0.00001231379994
                   +0 :               0.00001048689286
                   +1 :              -0.00000476307512
                   +2 :               0.00001224662493
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00014632392030
                2s
                   +0 :               0.00149679709716
                3s
                   +0 :              -0.00029864198820
                2p
                   -1 :              -0.00154590015747
                   +0 :               0.00020495334762
                   +1 :               0.00064831527595
                3p
                   -1 :               0.00061863958806
                   +0 :              -0.00010643656061
                   +1 :              -0.00008623337082
                3d
                   -2 :              -0.00002605058681
                   -1 :               0.00001778775963
                   +0 :              -0.00000452348520
                   +1 :              -0.00003778255012
                   +2 :               0.00002264070985
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00009203798744
                2s
                   +0 :               0.00088011845501
                3s
                   +0 :              -0.00018231846675
                2p
                   -1 :               0.00048255637944
                   +0 :               0.00002831742441
                   +1 :               0.00012842415572
                3p
                   -1 :              -0.00005954136986
                   +0 :              -0.00000114385427
                   +1 :              -0.00005552607507
                3d
                   -2 :               0.00001718588233
                   -1 :              -0.00000199325769
                   +0 :              -0.00001502367865
                   +1 :              -0.00001321213530
                   +2 :              -0.00000826517913
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00012666979703
                2s
                   +0 :               0.00150035412370
                3s
                   +0 :              -0.00016010250602
                2p
                   -1 :               0.00024321178354
                   +0 :               0.00004991615261
                   +1 :               0.00161645870240
                3p
                   -1 :              -0.00013084044989
                   +0 :               0.00004761937663
                   +1 :              -0.00023392965618
                3d
                   -2 :               0.00001025626767
                   -1 :               0.00001456180745
                   +0 :              -0.00001959150597
                   +1 :              -0.00002024959245
                   +2 :               0.00006285976244
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002932323349
                2s
                   +0 :              -0.00030633428020
                3s
                   +0 :               0.00004651043236
                2p
                   -1 :               0.00015134457739
                   +0 :              -0.00001917207265
                   +1 :               0.00010916068547
                3p
                   -1 :              -0.00001097253312
                   +0 :              -0.00002090111238
                   +1 :               0.00001440309893
                3d
                   -2 :              -0.00000131476947
                   -1 :              -0.00000207647803
                   +0 :               0.00001610350509
                   +1 :               0.00000133689162
                   +2 :              -0.00000240625101
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00004804533150
                2s
                   +0 :              -0.00048686369058
                3s
                   +0 :               0.00009633226381
                2p
                   -1 :              -0.00016482289829
                   +0 :               0.00002492709579
                   +1 :               0.00012920865149
                3p
                   -1 :               0.00004066507158
                   +0 :              -0.00001405647901
                   +1 :              -0.00000121535392
                3d
                   -2 :              -0.00000009701894
                   -1 :              -0.00000214747883
                   +0 :               0.00000204314415
                   +1 :               0.00000779160613
                   +2 :              -0.00000232975272
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00003201068167
                2s
                   +0 :               0.00029749832059
                3s
                   +0 :              -0.00007004734886
                2p
                   -1 :              -0.00016854330793
                   +0 :              -0.00002646013289
                   +1 :               0.00015619406564
                3p
                   -1 :               0.00007606317118
                   +0 :               0.00000817865057
                   +1 :              -0.00006897684321
                3d
                   -2 :              -0.00000253720972
                   -1 :               0.00000247985595
                   +0 :              -0.00000251041602
                   +1 :              -0.00000016569121
                   +2 :               0.00000450103996
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000536923870
                2s
                   +0 :              -0.00007777138066
                3s
                   +0 :              -0.00000887563649
                2p
                   -1 :              -0.00000271047413
                   +0 :              -0.00001383403283
                   +1 :               0.00002497971683
                3p
                   -1 :              -0.00004791154778
                   +0 :               0.00000762298600
                   +1 :              -0.00000318744730
                3d
                   -2 :               0.00001012251738
                   -1 :               0.00000260352998
                   +0 :               0.00000411401857
                   +1 :               0.00000153389166
                   +2 :               0.00000236968092
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001047002672
                2s
                   +0 :               0.00005875694993
                3s
                   +0 :               0.00007167967067
                2p
                   -1 :              -0.00011347737414
                   +0 :               0.00001272050874
                   +1 :               0.00020027851793
                3p
                   -1 :              -0.00003428140790
                   +0 :               0.00002376710801
                   +1 :              -0.00002122809917
                3d
                   -2 :              -0.00000774927021
                   -1 :              -0.00000022675142
                   +0 :              -0.00000498299293
                   +1 :              -0.00000577330816
                   +2 :              -0.00000164901785
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00004644224579
                2s
                   +0 :               0.00048614810634
                3s
                   +0 :              -0.00007253175722
                2p
                   -1 :               0.00014536078697
                   +0 :               0.00008478531510
                   +1 :               0.00030040329927
                3p
                   -1 :              -0.00003916668645
                   +0 :              -0.00004770489531
                   +1 :              -0.00006352131437
                3d
                   -2 :               0.00000044032836
                   -1 :               0.00000107357538
                   +0 :              -0.00000704921388
                   +1 :              -0.00001063230045
                   +2 :               0.00000312212154
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 25)  npairs=  14
              1 vec=    -0.209805     -3.115717     -4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00157707458310
                2s
                   +0 :               0.00636672319149
                3s
                   +0 :              -0.00467647891941
                2p
                   -1 :              -0.00654080027479
                   +0 :              -0.00108564340025
                   +1 :              -0.00520345692457
                3p
                   -1 :               0.00623248610680
                   +0 :               0.00275818869449
                   +1 :              -0.00321667260525
                3d
                   -2 :               0.00097051765101
                   -1 :              -0.00054271749132
                   +0 :              -0.00028948428931
                   +1 :               0.00175628942032
                   +2 :               0.00022470919139
              2 vec=    -0.209805      5.868041     -4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00047667031761
                2s
                   +0 :               0.00273028335477
                3s
                   +0 :              -0.00192143073208
                2p
                   -1 :               0.00194361613974
                   +0 :              -0.00081620857235
                   +1 :               0.00593817031173
                3p
                   -1 :              -0.00155665189854
                   +0 :               0.00120266533313
                   +1 :              -0.00615906548562
                3d
                   -2 :              -0.00015958629765
                   -1 :               0.00002031518379
                   +0 :              -0.00001567965609
                   +1 :              -0.00000289834783
                   +2 :               0.00015944841486
              3 vec=     7.570358      1.376162     -4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00073504434143
                2s
                   +0 :               0.00669734091191
                3s
                   +0 :              -0.00119202795155
                2p
                   -1 :               0.00023796782357
                   +0 :              -0.00282059663837
                   +1 :               0.00315851060208
                3p
                   -1 :               0.00035305512048
                   +0 :               0.00109674979514
                   +1 :              -0.00174774201175
                3d
                   -2 :               0.00011449687308
                   -1 :              -0.00009340376848
                   +0 :               0.00013861637636
                   +1 :              -0.00002009257627
                   +2 :              -0.00009323572289
              4 vec=    -7.989968      1.376162     -4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00031897432989
                2s
                   +0 :              -0.00232094186721
                3s
                   +0 :               0.00052705813963
                2p
                   -1 :              -0.00124955829763
                   +0 :               0.00302939776042
                   +1 :               0.00016963431273
                3p
                   -1 :               0.00031157114827
                   +0 :              -0.00187872788949
                   +1 :               0.00060376519740
                3d
                   -2 :              -0.00000410186418
                   -1 :              -0.00007133869278
                   +0 :               0.00003289854082
                   +1 :               0.00006065412538
                   +2 :               0.00001255173200
              5 vec=     7.570358     -7.607596     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00003665838214
                2s
                   +0 :               0.00087992260071
                3s
                   +0 :              -0.00008690747303
                2p
                   -1 :              -0.00071407462113
                   +0 :              -0.00020006595543
                   +1 :               0.00086711302600
                3p
                   -1 :               0.00037046233596
                   +0 :               0.00008484521873
                   +1 :              -0.00037181515866
                3d
                   -2 :               0.00000040057876
                   -1 :               0.00008329493237
                   +0 :               0.00005920633738
                   +1 :              -0.00003230834590
                   +2 :              -0.00001485850525
              6 vec=    -7.989968     -7.607596     -4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00000254422363
                2s
                   +0 :              -0.00031910701665
                3s
                   +0 :               0.00002370933064
                2p
                   -1 :              -0.00032489669603
                   +0 :               0.00096724726105
                   +1 :              -0.00003934563800
                3p
                   -1 :               0.00049590258269
                   +0 :              -0.00075207154166
                   +1 :              -0.00012328970668
                3d
                   -2 :              -0.00005004948139
                   -1 :               0.00004219690748
                   +0 :              -0.00008770753643
                   +1 :               0.00006347231855
                   +2 :               0.00003951997802
              7 vec=    -0.209805    -12.099475     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00006257866821
                2s
                   +0 :               0.00068338138151
                3s
                   +0 :              -0.00003762055742
                2p
                   -1 :              -0.00032302194437
                   +0 :              -0.00053092572558
                   +1 :               0.00025592653182
                3p
                   -1 :               0.00005596137585
                   +0 :               0.00036499898639
                   +1 :              -0.00019258359543
                3d
                   -2 :               0.00000441851380
                   -1 :              -0.00001569612804
                   +0 :              -0.00002737471459
                   +1 :              -0.00002454361918
                   +2 :              -0.00003590512212
              8 vec=     7.570358     10.359920     -4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00014949135319
                2s
                   +0 :               0.00148469263087
                3s
                   +0 :              -0.00025839210183
                2p
                   -1 :               0.00035225362647
                   +0 :              -0.00050521482440
                   +1 :              -0.00004725360247
                3p
                   -1 :              -0.00003948359581
                   +0 :               0.00014296094017
                   +1 :               0.00015118820048
                3d
                   -2 :               0.00005262025361
                   -1 :              -0.00001373965715
                   +0 :               0.00002853415620
                   +1 :               0.00001316447532
                   +2 :               0.00001535263305
              9 vec=    -7.989968     10.359920     -4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00005156944410
                2s
                   +0 :              -0.00081073626662
                3s
                   +0 :              -0.00000824864098
                2p
                   -1 :               0.00007870375466
                   +0 :               0.00025158441652
                   +1 :              -0.00009621770649
                3p
                   -1 :              -0.00022485247018
                   +0 :               0.00001317120721
                   +1 :               0.00026354625011
                3d
                   -2 :               0.00002273038666
                   -1 :              -0.00000760180766
                   +0 :              -0.00001155001692
                   +1 :              -0.00001413549279
                   +2 :               0.00000676029095
             10 vec=    -0.209805     14.851799     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00000718529254
                2s
                   +0 :              -0.00007235658595
                3s
                   +0 :              -0.00000405396565
                2p
                   -1 :              -0.00011857005781
                   +0 :              -0.00005074206503
                   +1 :              -0.00004536669767
                3p
                   -1 :               0.00007365764024
                   +0 :               0.00001624405135
                   +1 :              -0.00005298202829
                3d
                   -2 :              -0.00000938125229
                   -1 :              -0.00000531356007
                   +0 :              -0.00001549827753
                   +1 :              -0.00001287839502
                   +2 :              -0.00001397225678
             11 vec=    15.350520     -3.115717     -4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00001222094236
                2s
                   +0 :               0.00029515548719
                3s
                   +0 :               0.00002248038525
                2p
                   -1 :              -0.00015236567020
                   +0 :               0.00006443237727
                   +1 :               0.00014325581377
                3p
                   -1 :              -0.00000059567078
                   +0 :              -0.00007805621642
                   +1 :               0.00004858567301
                3d
                   -2 :              -0.00000257651503
                   -1 :               0.00002088549826
                   +0 :              -0.00001902141792
                   +1 :               0.00000615616657
                   +2 :              -0.00000350468828
             12 vec=   -15.770130     -3.115717     -4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00005220204387
                2s
                   +0 :              -0.00046037320341
                3s
                   +0 :               0.00009255507870
                2p
                   -1 :               0.00016047332130
                   +0 :              -0.00022378442992
                   +1 :               0.00025872862275
                3p
                   -1 :              -0.00006285802495
                   +0 :               0.00027263804557
                   +1 :              -0.00006391942451
                3d
                   -2 :              -0.00000332514190
                   -1 :              -0.00001429419751
                   +0 :               0.00000370092346
                   +1 :              -0.00001063715279
                   +2 :               0.00000939058126
             13 vec=    15.350520      5.868041     -4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00004090376557
                2s
                   +0 :               0.00039682210027
                3s
                   +0 :              -0.00006443804893
                2p
                   -1 :              -0.00010497638052
                   +0 :               0.00001377725997
                   +1 :               0.00023134329094
                3p
                   -1 :               0.00010106076047
                   +0 :              -0.00002289428073
                   +1 :              -0.00009950240801
                3d
                   -2 :               0.00001032937716
                   -1 :               0.00000621140657
                   +0 :               0.00000666187555
                   +1 :               0.00000309892047
                   +2 :               0.00000110556063
             14 vec=   -15.770130      5.868041     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00004963964600
                2s
                   +0 :              -0.00043878828039
                3s
                   +0 :               0.00010166031173
                2p
                   -1 :              -0.00001644959962
                   +0 :               0.00005351377777
                   +1 :               0.00005252205509
                3p
                   -1 :              -0.00003715782343
                   +0 :              -0.00000003607944
                   +1 :               0.00003345714165
                3d
                   -2 :              -0.00000240797352
                   -1 :              -0.00000181544004
                   +0 :              -0.00000527506892
                   +1 :              -0.00000713650532
                   +2 :              -0.00000066040521
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 26)  npairs=  14
              1 vec=     2.803193      1.376162     -4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00250966252226
                2s
                   +0 :               0.04342497817281
                3s
                   +0 :              -0.00450925859604
                2p
                   -1 :               0.01020504881334
                   +0 :              -0.01950111101626
                   +1 :               0.00858773288368
                3p
                   -1 :              -0.00110847067481
                   +0 :              -0.00152925750014
                   +1 :               0.00032999308477
                3d
                   -2 :               0.00071049923878
                   -1 :              -0.00203152358746
                   +0 :               0.00160406502782
                   +1 :              -0.00103538036799
                   +2 :              -0.00013796739864
              2 vec=    -4.976970     -3.115717     -4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00134659800536
                2s
                   +0 :              -0.01135789872682
                3s
                   +0 :               0.00546230003084
                2p
                   -1 :               0.00543208025098
                   +0 :               0.01092647048647
                   +1 :               0.01122554594580
                3p
                   -1 :              -0.00371182853516
                   +0 :              -0.00734023216907
                   +1 :              -0.00821463036952
                3d
                   -2 :               0.00035821695975
                   -1 :               0.00043791276525
                   +0 :               0.00043508732028
                   +1 :               0.00101040136814
                   +2 :               0.00023631180403
              3 vec=    -4.976970      5.868041     -4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00005725935671
                2s
                   +0 :              -0.00036343188707
                3s
                   +0 :              -0.00063273261972
                2p
                   -1 :              -0.00236377041853
                   +0 :               0.00152088881178
                   +1 :               0.00078555033294
                3p
                   -1 :               0.00160522301325
                   +0 :              -0.00017617373493
                   +1 :               0.00019184298410
                3d
                   -2 :              -0.00018995586992
                   -1 :              -0.00013936834823
                   +0 :              -0.00004812482549
                   +1 :               0.00001700963901
                   +2 :              -0.00006744713876
              4 vec=     2.803193     -7.607596     -4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00064643564773
                2s
                   +0 :               0.00546740510316
                3s
                   +0 :              -0.00128933180064
                2p
                   -1 :              -0.00006954736174
                   +0 :              -0.00237892685655
                   +1 :              -0.00159485953103
                3p
                   -1 :               0.00023067078530
                   +0 :               0.00016702903952
                   +1 :               0.00054038473233
                3d
                   -2 :              -0.00006341456572
                   -1 :               0.00025661931012
                   +0 :               0.00017911887400
                   +1 :               0.00001659911183
                   +2 :              -0.00007946242234
              5 vec=     2.803193     10.359920     -4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00000596467865
                2s
                   +0 :               0.00006967391456
                3s
                   +0 :               0.00020354464221
                2p
                   -1 :               0.00033852622772
                   +0 :               0.00044257785976
                   +1 :              -0.00098808122604
                3p
                   -1 :               0.00018878403685
                   +0 :              -0.00061688978986
                   +1 :               0.00060028602856
                3d
                   -2 :               0.00003757115122
                   -1 :              -0.00006765844068
                   +0 :              -0.00008443806120
                   +1 :               0.00003606435979
                   +2 :              -0.00004367513687
              6 vec=    10.583355     -3.115717     -4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00008182414942
                2s
                   +0 :               0.00116455872470
                3s
                   +0 :              -0.00003990054803
                2p
                   -1 :              -0.00078029409036
                   +0 :              -0.00096467889316
                   +1 :               0.00082064017817
                3p
                   -1 :               0.00026625464134
                   +0 :               0.00060939711487
                   +1 :              -0.00029947158417
                3d
                   -2 :              -0.00001974375756
                   -1 :               0.00002065315053
                   +0 :              -0.00006807787303
                   +1 :              -0.00001004170976
                   +2 :               0.00005634282004
              7 vec=    10.583355      5.868041     -4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00015702750164
                2s
                   +0 :               0.00159457780381
                3s
                   +0 :              -0.00030440783122
                2p
                   -1 :               0.00024311562271
                   +0 :               0.00026140056232
                   +1 :              -0.00012151763668
                3p
                   -1 :               0.00008065874767
                   +0 :              -0.00024217502754
                   +1 :               0.00032446612848
                3d
                   -2 :               0.00002346974505
                   -1 :               0.00001627854851
                   +0 :               0.00000083953791
                   +1 :               0.00000312747968
                   +2 :               0.00000542957259
              8 vec=   -12.757133      1.376162     -4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00008395099294
                2s
                   +0 :              -0.00123399997521
                3s
                   +0 :               0.00003533958335
                2p
                   -1 :               0.00002413441869
                   +0 :               0.00009147857424
                   +1 :               0.00014480059674
                3p
                   -1 :              -0.00019260372365
                   +0 :               0.00033601546105
                   +1 :               0.00011169913125
                3d
                   -2 :               0.00003069376182
                   -1 :               0.00002317171487
                   +0 :              -0.00003232517564
                   +1 :              -0.00003528743690
                   +2 :              -0.00001092335373
              9 vec=    -4.976970    -12.099475     -4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00009465119142
                2s
                   +0 :               0.00051986473601
                3s
                   +0 :              -0.00028679133291
                2p
                   -1 :               0.00025309526293
                   +0 :               0.00005893677325
                   +1 :              -0.00005658733286
                3p
                   -1 :              -0.00020788540003
                   +0 :              -0.00005860904792
                   +1 :              -0.00009177694451
                3d
                   -2 :              -0.00000242275207
                   -1 :               0.00000651985726
                   +0 :              -0.00000667055807
                   +1 :               0.00000776245739
                   +2 :              -0.00000836747283
             10 vec=   -12.757133     -7.607596     -4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00001987438355
                2s
                   +0 :              -0.00023885992586
                3s
                   +0 :              -0.00003603967863
                2p
                   -1 :               0.00011521013808
                   +0 :               0.00014175713325
                   +1 :              -0.00010871722292
                3p
                   -1 :               0.00002623816309
                   +0 :              -0.00007348178347
                   +1 :               0.00015102402752
                3d
                   -2 :              -0.00000158301128
                   -1 :               0.00000192562975
                   +0 :              -0.00000894908289
                   +1 :               0.00000749322557
                   +2 :              -0.00001022704550
             11 vec=    -4.976970     14.851799     -4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00006067217805
                2s
                   +0 :              -0.00047515490855
                3s
                   +0 :               0.00013924145408
                2p
                   -1 :              -0.00045234875491
                   +0 :              -0.00015193522776
                   +1 :              -0.00002420747428
                3p
                   -1 :               0.00025969868378
                   +0 :               0.00014342914518
                   +1 :              -0.00002581125479
                3d
                   -2 :              -0.00000425296316
                   -1 :               0.00001214069519
                   +0 :              -0.00000115963545
                   +1 :              -0.00000426980122
                   +2 :              -0.00001239384097
             12 vec=    10.583355    -12.099475     -4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00001758793101
                2s
                   +0 :               0.00023639689311
                3s
                   +0 :              -0.00004293524257
                2p
                   -1 :               0.00005014201987
                   +0 :               0.00009972873205
                   +1 :              -0.00008230109542
                3p
                   -1 :              -0.00009762056805
                   +0 :              -0.00005271533077
                   +1 :               0.00017918206476
                3d
                   -2 :              -0.00001331899222
                   -1 :              -0.00001298769219
                   +0 :              -0.00001575025380
                   +1 :               0.00001181161600
                   +2 :              -0.00000965061033
             13 vec=   -12.757133     10.359920     -4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00002992337809
                2s
                   +0 :              -0.00031280696737
                3s
                   +0 :               0.00002601865038
                2p
                   -1 :              -0.00006649811360
                   +0 :              -0.00005888762103
                   +1 :               0.00002446485850
                3p
                   -1 :               0.00000570531144
                   +0 :               0.00007296595142
                   +1 :               0.00006122151687
                3d
                   -2 :               0.00001017112618
                   -1 :               0.00000648476724
                   +0 :              -0.00000443511988
                   +1 :              -0.00000828994262
                   +2 :               0.00000024352610
             14 vec=     2.803193    -16.591354     -4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00001510924312
                2s
                   +0 :              -0.00004222285766
                3s
                   +0 :               0.00006554294847
                2p
                   -1 :               0.00005254706714
                   +0 :               0.00012344143570
                   +1 :              -0.00001542769894
                3p
                   -1 :              -0.00008216269428
                   +0 :              -0.00001829763880
                   +1 :               0.00001929187077
                3d
                   -2 :              -0.00000061008693
                   -1 :              -0.00001006858836
                   +0 :              -0.00000962295644
                   +1 :               0.00000107918822
                   +2 :              -0.00000015861231
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 27)  npairs=  14
              1 vec=    -2.593388      1.012769     -4.091257   |vec|=    4.948711
                1s
                   +0 :               0.00304100663862
                2s
                   +0 :              -0.06208165230812
                3s
                   +0 :               0.00581943759319
                2p
                   -1 :              -0.00969993656289
                   +0 :               0.03932583069052
                   +1 :               0.01080659953309
                3p
                   -1 :              -0.00004386798615
                   +0 :              -0.00389388722748
                   +1 :              -0.00405345081417
                3d
                   -2 :               0.00080644257595
                   -1 :               0.00137742547542
                   +0 :              -0.00239598669697
                   +1 :              -0.00023925049790
                   +2 :              -0.00001322765399
              2 vec=     5.186775     -3.479110     -4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00022490765806
                2s
                   +0 :               0.00310388805037
                3s
                   +0 :              -0.00065689156583
                2p
                   -1 :              -0.00012900548830
                   +0 :               0.00141864113184
                   +1 :               0.00419355250319
                3p
                   -1 :              -0.00119909624505
                   +0 :              -0.00322419603265
                   +1 :              -0.00289296249036
                3d
                   -2 :               0.00027777614584
                   -1 :              -0.00014561826950
                   +0 :               0.00040860775122
                   +1 :               0.00015245280990
                   +2 :              -0.00008326197831
              3 vec=     5.186775      5.504648     -4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00001174371560
                2s
                   +0 :              -0.00044901778941
                3s
                   +0 :               0.00074967371745
                2p
                   -1 :               0.00115410413787
                   +0 :               0.00403910578491
                   +1 :              -0.00061520713372
                3p
                   -1 :              -0.00006016319061
                   +0 :              -0.00292678150703
                   +1 :               0.00062023710978
                3d
                   -2 :               0.00007493150486
                   -1 :              -0.00010795592423
                   +0 :               0.00005367086689
                   +1 :              -0.00014460022921
                   +2 :               0.00001936639233
              4 vec=    -2.593388     -7.970989     -4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00039714250926
                2s
                   +0 :              -0.00200536414998
                3s
                   +0 :               0.00120049356638
                2p
                   -1 :               0.00249012220118
                   +0 :               0.00039864500676
                   +1 :              -0.00143896208876
                3p
                   -1 :              -0.00205450841665
                   +0 :               0.00053491780977
                   +1 :               0.00099576663608
                3d
                   -2 :              -0.00000104066360
                   -1 :              -0.00000055871433
                   +0 :              -0.00013747295933
                   +1 :              -0.00000205304723
                   +2 :              -0.00018158601608
              5 vec=    -2.593388      9.996527     -4.091257   |vec|=   11.108312
                1s
                   +0 :              -0.00008901272616
                2s
                   +0 :               0.00008760427312
                3s
                   +0 :              -0.00044103503421
                2p
                   -1 :               0.00059831390030
                   +0 :               0.00028531570416
                   +1 :              -0.00035766905466
                3p
                   -1 :              -0.00112973312728
                   +0 :               0.00013607120081
                   +1 :               0.00008820210158
                3d
                   -2 :               0.00002571630255
                   -1 :               0.00001056473113
                   +0 :               0.00013985269095
                   +1 :               0.00005190930626
                   +2 :               0.00011052268459
              6 vec=   -10.373550     -3.479110     -4.091257   |vec|=   11.681316
                1s
                   +0 :              -0.00007834371023
                2s
                   +0 :               0.00003905127636
                3s
                   +0 :              -0.00024649499228
                2p
                   -1 :              -0.00056861675171
                   +0 :              -0.00068715164012
                   +1 :              -0.00014734111033
                3p
                   -1 :               0.00085223382856
                   +0 :               0.00055713531254
                   +1 :               0.00038213588110
                3d
                   -2 :              -0.00006653660691
                   -1 :               0.00007177830934
                   +0 :               0.00011846511624
                   +1 :              -0.00001034032782
                   +2 :              -0.00008208573184
              7 vec=   -10.373550      5.504648     -4.091257   |vec|=   12.435838
                1s
                   +0 :              -0.00006509911437
                2s
                   +0 :               0.00011646239548
                3s
                   +0 :              -0.00028012442562
                2p
                   -1 :              -0.00053978865163
                   +0 :              -0.00040222519515
                   +1 :              -0.00004519407722
                3p
                   -1 :               0.00036877025970
                   +0 :               0.00000588504218
                   +1 :               0.00009855195686
                3d
                   -2 :              -0.00001565442479
                   -1 :              -0.00001558061740
                   +0 :               0.00002372706454
                   +1 :               0.00008488279432
                   +2 :              -0.00002021102570
              8 vec=    12.966938      1.012769     -4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00005929387069
                2s
                   +0 :               0.00111113925755
                3s
                   +0 :               0.00007850333022
                2p
                   -1 :              -0.00014126559434
                   +0 :              -0.00042168541822
                   +1 :               0.00032582278579
                3p
                   -1 :               0.00020877735612
                   +0 :              -0.00000208659310
                   +1 :               0.00015412874729
                3d
                   -2 :               0.00000316731844
                   -1 :              -0.00003496374739
                   +0 :               0.00000918426921
                   +1 :              -0.00000529036556
                   +2 :               0.00003534083402
              9 vec=     5.186775    -12.462868     -4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00008727284509
                2s
                   +0 :               0.00085541247973
                3s
                   +0 :              -0.00017251107680
                2p
                   -1 :              -0.00042701579281
                   +0 :              -0.00026025634978
                   +1 :              -0.00012680776697
                3p
                   -1 :               0.00024441391878
                   +0 :               0.00014382994368
                   +1 :               0.00005497018060
                3d
                   -2 :               0.00001881418904
                   -1 :              -0.00002254802805
                   +0 :              -0.00000271851508
                   +1 :              -0.00000691142982
                   +2 :               0.00002544988191
             10 vec=    12.966938     -7.970989     -4.091257   |vec|=   15.761235
                1s
                   +0 :              -0.00001008293156
                2s
                   +0 :               0.00017752767022
                3s
                   +0 :               0.00000698062148
                2p
                   -1 :               0.00005823518352
                   +0 :               0.00010364760105
                   +1 :               0.00010711523189
                3p
                   -1 :              -0.00013198908430
                   +0 :              -0.00003707546623
                   +1 :              -0.00005227303726
                3d
                   -2 :              -0.00001048342201
                   -1 :              -0.00000079172228
                   +0 :               0.00000608412532
                   +1 :               0.00001343864271
                   +2 :              -0.00000226224167
             11 vec=     5.186775     14.488406     -4.091257   |vec|=   15.923408
                1s
                   +0 :              -0.00002276841076
                2s
                   +0 :               0.00021155204903
                3s
                   +0 :              -0.00006450484208
                2p
                   -1 :               0.00026890881739
                   +0 :               0.00006995221481
                   +1 :              -0.00016668646798
                3p
                   -1 :              -0.00013019530424
                   +0 :              -0.00004361438384
                   +1 :               0.00008428385242
                3d
                   -2 :               0.00000723298801
                   -1 :              -0.00001507372683
                   +0 :              -0.00001166695159
                   +1 :              -0.00000951859216
                   +2 :               0.00001263138153
             12 vec=   -10.373550    -12.462868     -4.091257   |vec|=   16.723397
                1s
                   +0 :               0.00000086218329
                2s
                   +0 :              -0.00002939655998
                3s
                   +0 :              -0.00000184589503
                2p
                   -1 :               0.00034706447897
                   +0 :               0.00008997486325
                   +1 :              -0.00007273698810
                3p
                   -1 :              -0.00025080567612
                   +0 :              -0.00005743588971
                   +1 :               0.00003862823510
                3d
                   -2 :               0.00000605782858
                   -1 :               0.00000522000973
                   +0 :              -0.00000477452560
                   +1 :               0.00000229978396
                   +2 :              -0.00000846847008
             13 vec=    12.966938      9.996527     -4.091257   |vec|=   16.876327
                1s
                   +0 :              -0.00006763847962
                2s
                   +0 :               0.00065288583311
                3s
                   +0 :              -0.00014154074993
                2p
                   -1 :               0.00037504111035
                   +0 :              -0.00008437614983
                   +1 :               0.00019122984392
                3p
                   -1 :              -0.00021669950386
                   +0 :              -0.00000241433171
                   +1 :              -0.00005152134465
                3d
                   -2 :               0.00000305153047
                   -1 :              -0.00000931121209
                   +0 :               0.00000571679993
                   +1 :              -0.00000784246186
                   +2 :               0.00001014355895
             14 vec=    -2.593388    -16.954747     -4.091257   |vec|=   17.633136
                1s
                   +0 :              -0.00003304904152
                2s
                   +0 :               0.00032443558333
                3s
                   +0 :              -0.00006909406305
                2p
                   -1 :              -0.00015526926338
                   +0 :              -0.00012341745884
                   +1 :              -0.00005654251298
                3p
                   -1 :               0.00009876306493
                   +0 :               0.00006890101851
                   +1 :               0.00000945185651
                3d
                   -2 :               0.00000518218231
                   -1 :               0.00000177595953
                   +0 :               0.00000247287072
                   +1 :              -0.00000600426190
                   +2 :               0.00000899639266
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 28)  npairs=  15
              1 vec=     2.802674      4.128785      8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00049042438595
                2s
                   +0 :               0.00509454967630
                3s
                   +0 :              -0.00022653246480
                2p
                   -1 :               0.00283660173460
                   +0 :               0.00282107691468
                   +1 :              -0.00116819309988
                3p
                   -1 :              -0.00036223514085
                   +0 :               0.00066116844985
                   +1 :               0.00123476299981
                3d
                   -2 :               0.00009027743476
                   -1 :               0.00027193733940
                   +0 :               0.00016837751768
                   +1 :               0.00008534573692
                   +2 :              -0.00017912958121
              2 vec=    -4.977489     -0.363094      8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00009082075089
                2s
                   +0 :              -0.00153779084065
                3s
                   +0 :              -0.00001585505774
                2p
                   -1 :               0.00352642993641
                   +0 :              -0.00276030410711
                   +1 :              -0.00021951045204
                3p
                   -1 :              -0.00113991828824
                   +0 :               0.00054542646232
                   +1 :               0.00067950624824
                3d
                   -2 :               0.00005947361717
                   -1 :               0.00010654784159
                   +0 :               0.00007140769032
                   +1 :               0.00009884721963
                   +2 :               0.00000090064969
              3 vec=     2.802674     -4.854973      8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00010770461471
                2s
                   +0 :              -0.00193145422841
                3s
                   +0 :               0.00031034614875
                2p
                   -1 :               0.00148289010674
                   +0 :              -0.00281088446210
                   +1 :               0.00212434800774
                3p
                   -1 :              -0.00108747147120
                   +0 :               0.00193772878689
                   +1 :              -0.00005810466616
                3d
                   -2 :              -0.00016658431316
                   -1 :              -0.00002166487644
                   +0 :               0.00005817359696
                   +1 :               0.00028967760273
                   +2 :              -0.00005721840656
              4 vec=    -4.977489      8.620664      8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00000029408364
                2s
                   +0 :              -0.00014205262135
                3s
                   +0 :              -0.00007273957087
                2p
                   -1 :               0.00009347203367
                   +0 :               0.00024737263501
                   +1 :               0.00032520675452
                3p
                   -1 :              -0.00011203792795
                   +0 :              -0.00017844895676
                   +1 :              -0.00031623554060
                3d
                   -2 :               0.00001645883590
                   -1 :              -0.00003243830281
                   +0 :              -0.00001482416186
                   +1 :              -0.00001932788945
                   +2 :               0.00003572759235
              5 vec=    10.582837     -0.363094      8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00012413696561
                2s
                   +0 :              -0.00087810953953
                3s
                   +0 :               0.00015195533282
                2p
                   -1 :              -0.00084381717066
                   +0 :              -0.00006108597361
                   +1 :              -0.00074496566060
                3p
                   -1 :               0.00012042157827
                   +0 :              -0.00019893538636
                   +1 :               0.00043386684276
                3d
                   -2 :              -0.00006376732809
                   -1 :              -0.00004813882832
                   +0 :              -0.00003750843271
                   +1 :              -0.00002354576700
                   +2 :               0.00002768036159
              6 vec=    -4.977489     -9.346852      8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00005662249534
                2s
                   +0 :               0.00056948277001
                3s
                   +0 :               0.00010273977526
                2p
                   -1 :              -0.00036783389706
                   +0 :              -0.00024287870631
                   +1 :              -0.00000802774174
                3p
                   -1 :               0.00009237196504
                   +0 :               0.00015531534650
                   +1 :              -0.00003010069557
                3d
                   -2 :               0.00001831388181
                   -1 :               0.00000005941846
                   +0 :              -0.00000364261688
                   +1 :              -0.00001108692842
                   +2 :              -0.00005473517915
              7 vec=     2.802674     13.112543      8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00005682867714
                2s
                   +0 :              -0.00042299507894
                3s
                   +0 :               0.00009240135212
                2p
                   -1 :              -0.00001974609284
                   +0 :              -0.00031480371582
                   +1 :              -0.00004207354612
                3p
                   -1 :              -0.00005733686566
                   +0 :               0.00005934229565
                   +1 :              -0.00004064693578
                3d
                   -2 :              -0.00001262588570
                   -1 :              -0.00001185833273
                   +0 :              -0.00002057859245
                   +1 :              -0.00001337058091
                   +2 :               0.00000508079950
              8 vec=   -12.757651      4.128785      8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00000706153235
                2s
                   +0 :              -0.00022758679321
                3s
                   +0 :              -0.00003594807775
                2p
                   -1 :               0.00018122863241
                   +0 :              -0.00040734900417
                   +1 :               0.00034359747831
                3p
                   -1 :              -0.00020526528388
                   +0 :               0.00020110496823
                   +1 :              -0.00019947679820
                3d
                   -2 :               0.00000525212054
                   -1 :              -0.00003836562064
                   +0 :               0.00000224312288
                   +1 :              -0.00001542819237
                   +2 :               0.00001840738747
              9 vec=    10.582837      8.620664      8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00000127550572
                2s
                   +0 :               0.00007165777179
                3s
                   +0 :               0.00003182429300
                2p
                   -1 :              -0.00006970691190
                   +0 :               0.00000004848570
                   +1 :               0.00009971957766
                3p
                   -1 :               0.00001813703815
                   +0 :               0.00001085678146
                   +1 :              -0.00004886153672
                3d
                   -2 :              -0.00001609049841
                   -1 :               0.00000940317891
                   +0 :               0.00000962527169
                   +1 :              -0.00000539239854
                   +2 :              -0.00000216563248
             10 vec=   -12.757651     -4.854973      8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00007107021476
                2s
                   +0 :               0.00045901770554
                3s
                   +0 :              -0.00021162138529
                2p
                   -1 :               0.00011156103824
                   +0 :              -0.00015070115635
                   +1 :              -0.00012605810663
                3p
                   -1 :              -0.00007540156057
                   +0 :               0.00005191374522
                   +1 :               0.00018560000279
                3d
                   -2 :               0.00000918834810
                   -1 :               0.00000126649154
                   +0 :              -0.00000101937457
                   +1 :               0.00000193045780
                   +2 :              -0.00000742126368
             11 vec=    10.582837     -9.346852      8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00016688794128
                2s
                   +0 :              -0.00142854115140
                3s
                   +0 :               0.00030807156319
                2p
                   -1 :               0.00043700625518
                   +0 :              -0.00002534065635
                   +1 :               0.00022147634815
                3p
                   -1 :              -0.00006017636191
                   +0 :               0.00008210818048
                   +1 :              -0.00030371032884
                3d
                   -2 :               0.00000201003858
                   -1 :              -0.00003279999031
                   +0 :              -0.00001486303366
                   +1 :               0.00000432009541
                   +2 :               0.00000369222771
             12 vec=     2.802674    -13.838731      8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00004532358591
                2s
                   +0 :               0.00040979285660
                3s
                   +0 :              -0.00009902721437
                2p
                   -1 :              -0.00020288845488
                   +0 :               0.00021934924338
                   +1 :               0.00000766140490
                3p
                   -1 :               0.00013478442630
                   +0 :              -0.00001299204768
                   +1 :               0.00002552045031
                3d
                   -2 :               0.00000200444753
                   -1 :              -0.00000774097216
                   +0 :               0.00000871238828
                   +1 :              -0.00001760695547
                   +2 :               0.00000239946585
             13 vec=     2.802674      4.128785    -16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00002496747790
                2s
                   +0 :              -0.00023775209283
                3s
                   +0 :               0.00005438161996
                2p
                   -1 :              -0.00005684746300
                   +0 :               0.00017964972192
                   +1 :              -0.00012305350826
                3p
                   -1 :               0.00003264239297
                   +0 :              -0.00005541382076
                   +1 :               0.00003373841038
                3d
                   -2 :               0.00000415850145
                   -1 :               0.00000016266771
                   +0 :              -0.00000628298928
                   +1 :               0.00000238001056
                   +2 :               0.00000417470292
             14 vec=    -4.977489     -0.363094    -16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00004035057153
                2s
                   +0 :              -0.00035059188759
                3s
                   +0 :               0.00009511968245
                2p
                   -1 :               0.00003440956667
                   +0 :               0.00016895513356
                   +1 :              -0.00010541353738
                3p
                   -1 :              -0.00002349976714
                   +0 :              -0.00005881567770
                   +1 :               0.00004991605583
                3d
                   -2 :               0.00000161125459
                   -1 :              -0.00000369940389
                   +0 :               0.00000858897910
                   +1 :              -0.00000017970817
                   +2 :               0.00000206481871
             15 vec=     2.802674     -4.854973    -16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00001054506283
                2s
                   +0 :               0.00010993274230
                3s
                   +0 :              -0.00001260069605
                2p
                   -1 :              -0.00005569977550
                   +0 :               0.00000300127526
                   +1 :              -0.00015953223489
                3p
                   -1 :               0.00003301675053
                   +0 :              -0.00009457104668
                   +1 :               0.00004403889378
                3d
                   -2 :               0.00000472357661
                   -1 :               0.00000130824864
                   +0 :               0.00000686529605
                   +1 :               0.00000559358112
                   +2 :              -0.00000387160886
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 29)  npairs=  14
              1 vec=    -0.209286     -0.363094      8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00069329936539
                2s
                   +0 :               0.00580608325500
                3s
                   +0 :              -0.00148896893147
                2p
                   -1 :               0.00113962448655
                   +0 :               0.00094636803982
                   +1 :              -0.00108518100511
                3p
                   -1 :              -0.00060875595762
                   +0 :              -0.00008115703764
                   +1 :              -0.00047359598970
                3d
                   -2 :               0.00002674317161
                   -1 :               0.00002955340856
                   +0 :               0.00011288921376
                   +1 :              -0.00007741746989
                   +2 :              -0.00020363758186
              2 vec=    -0.209286      8.620664      8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00001079255910
                2s
                   +0 :               0.00000625037978
                3s
                   +0 :               0.00008270683707
                2p
                   -1 :              -0.00037291883295
                   +0 :              -0.00024537022830
                   +1 :              -0.00039935098502
                3p
                   -1 :               0.00035581595543
                   +0 :               0.00026910800735
                   +1 :               0.00006134736511
                3d
                   -2 :              -0.00005440633141
                   -1 :               0.00001661104601
                   +0 :               0.00004368743165
                   +1 :              -0.00001107703790
                   +2 :              -0.00002954032594
              3 vec=     7.570876      4.128785      8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00001455832835
                2s
                   +0 :               0.00068726758326
                3s
                   +0 :               0.00015013341731
                2p
                   -1 :              -0.00121766747685
                   +0 :               0.00044406213297
                   +1 :               0.00050515161561
                3p
                   -1 :               0.00096583049276
                   +0 :               0.00040565092231
                   +1 :              -0.00017361009192
                3d
                   -2 :               0.00000992354995
                   -1 :               0.00006110880394
                   +0 :               0.00002274323357
                   +1 :               0.00003807168218
                   +2 :              -0.00005700767257
              4 vec=    -7.989449      4.128785      8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00023822412439
                2s
                   +0 :              -0.00229170787599
                3s
                   +0 :               0.00074538968781
                2p
                   -1 :              -0.00014525127048
                   +0 :              -0.00154633553340
                   +1 :               0.00112435526611
                3p
                   -1 :              -0.00015771583114
                   +0 :               0.00056975580891
                   +1 :              -0.00066587732133
                3d
                   -2 :              -0.00001260140659
                   -1 :               0.00002041090009
                   +0 :              -0.00000378711302
                   +1 :              -0.00004594415542
                   +2 :               0.00009172658552
              5 vec=     7.570876     -4.854973      8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00079583973395
                2s
                   +0 :              -0.00761337360383
                3s
                   +0 :               0.00081226592679
                2p
                   -1 :               0.00001455983119
                   +0 :              -0.00275824857342
                   +1 :              -0.00213113759442
                3p
                   -1 :               0.00097670451066
                   +0 :              -0.00044209901134
                   +1 :               0.00064960882308
                3d
                   -2 :               0.00017772664372
                   -1 :               0.00028896153624
                   +0 :              -0.00029216470739
                   +1 :              -0.00030733061703
                   +2 :              -0.00001000335768
              6 vec=    -7.989449     -4.854973      8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00003504364228
                2s
                   +0 :               0.00000155972248
                3s
                   +0 :              -0.00003399607736
                2p
                   -1 :               0.00063850584606
                   +0 :              -0.00097316504940
                   +1 :               0.00077521976075
                3p
                   -1 :              -0.00022954296134
                   +0 :               0.00057130474272
                   +1 :              -0.00072717650362
                3d
                   -2 :              -0.00001125921432
                   -1 :              -0.00000538402580
                   +0 :               0.00002950765407
                   +1 :              -0.00003665821300
                   +2 :               0.00002736479909
              7 vec=    -0.209286     -9.346852      8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00000123567998
                2s
                   +0 :               0.00016516380378
                3s
                   +0 :               0.00010385357931
                2p
                   -1 :               0.00014965125565
                   +0 :               0.00005192331874
                   +1 :               0.00001115133316
                3p
                   -1 :              -0.00018938813343
                   +0 :               0.00015806774564
                   +1 :               0.00008634682053
                3d
                   -2 :              -0.00005544809098
                   -1 :              -0.00001536689034
                   +0 :               0.00003049625084
                   +1 :              -0.00003425016582
                   +2 :               0.00000456667929
              8 vec=    -0.209286     -0.363094    -16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00000653465044
                2s
                   +0 :              -0.00003264842610
                3s
                   +0 :              -0.00004661006391
                2p
                   -1 :               0.00011505659061
                   +0 :               0.00001454971468
                   +1 :               0.00001453736261
                3p
                   -1 :              -0.00005768448783
                   +0 :               0.00004863022028
                   +1 :              -0.00006526672301
                3d
                   -2 :              -0.00000254887573
                   -1 :               0.00000534229898
                   +0 :              -0.00000326445259
                   +1 :               0.00000824295131
                   +2 :               0.00000202095552
              9 vec=     7.570876     13.112543      8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00003969054067
                2s
                   +0 :               0.00039643283899
                3s
                   +0 :              -0.00010143482868
                2p
                   -1 :               0.00030679365753
                   +0 :               0.00011374926720
                   +1 :              -0.00003993784983
                3p
                   -1 :              -0.00012757173562
                   +0 :              -0.00008604904771
                   +1 :               0.00001357625765
                3d
                   -2 :               0.00000050414828
                   -1 :               0.00000017544945
                   +0 :              -0.00000213226299
                   +1 :               0.00000081765051
                   +2 :              -0.00000154907322
             10 vec=    -7.989449     13.112543      8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000835955188
                2s
                   +0 :              -0.00001633415591
                3s
                   +0 :              -0.00003754088273
                2p
                   -1 :              -0.00006543711877
                   +0 :              -0.00011614992130
                   +1 :              -0.00004210205693
                3p
                   -1 :              -0.00003563843734
                   +0 :               0.00001380710205
                   +1 :              -0.00000155120702
                3d
                   -2 :              -0.00000013509617
                   -1 :              -0.00000711909034
                   +0 :              -0.00000619342437
                   +1 :               0.00000019057243
                   +2 :               0.00000921969973
             11 vec=    15.351039     -0.363094      8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00002128257695
                2s
                   +0 :              -0.00031360911152
                3s
                   +0 :               0.00003202612889
                2p
                   -1 :              -0.00005590259473
                   +0 :               0.00005710299682
                   +1 :              -0.00008359010626
                3p
                   -1 :              -0.00007317660978
                   +0 :              -0.00001349389357
                   +1 :               0.00000674029562
                3d
                   -2 :              -0.00000403503650
                   -1 :              -0.00000174723340
                   +0 :               0.00001264706769
                   +1 :               0.00000257583405
                   +2 :               0.00000318733525
             12 vec=   -15.769612     -0.363094      8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00000342873025
                2s
                   +0 :              -0.00000373185244
                3s
                   +0 :               0.00001131825088
                2p
                   -1 :               0.00016369823930
                   +0 :              -0.00005162589771
                   +1 :               0.00007628384993
                3p
                   -1 :              -0.00001790288762
                   +0 :               0.00001691279711
                   +1 :               0.00001784917292
                3d
                   -2 :              -0.00000881040234
                   -1 :               0.00001195980098
                   +0 :               0.00000586629455
                   +1 :               0.00000689794418
                   +2 :              -0.00000511357561
             13 vec=     7.570876    -13.838731      8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00001941984375
                2s
                   +0 :              -0.00014911134846
                3s
                   +0 :               0.00004815960278
                2p
                   -1 :               0.00016953736712
                   +0 :               0.00018698292394
                   +1 :               0.00017402458831
                3p
                   -1 :              -0.00008126900509
                   +0 :              -0.00005185319459
                   +1 :              -0.00000281613036
                3d
                   -2 :              -0.00000800831247
                   -1 :              -0.00000017939456
                   +0 :               0.00000634575752
                   +1 :               0.00001620005539
                   +2 :               0.00000357117717
             14 vec=    -7.989449    -13.838731      8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00003833159103
                2s
                   +0 :               0.00038045523336
                3s
                   +0 :              -0.00005706616215
                2p
                   -1 :              -0.00006244451555
                   +0 :               0.00010735813830
                   +1 :              -0.00015365145501
                3p
                   -1 :              -0.00001811898857
                   +0 :              -0.00005370714965
                   +1 :               0.00007493079305
                3d
                   -2 :               0.00000085143156
                   -1 :              -0.00000880175938
                   +0 :              -0.00000344605457
                   +1 :               0.00000250942871
                   +2 :              -0.00000841429845
WF             site_B          number of pairs
WF( 41)=[O_12_2px]  to site O ( 30)  npairs=  15
              1 vec=    -2.593388      4.491280      8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00028753273521
                2s
                   +0 :              -0.00255754414908
                3s
                   +0 :               0.00063275990759
                2p
                   -1 :              -0.00300092057234
                   +0 :              -0.00249152420032
                   +1 :              -0.00339123359484
                3p
                   -1 :               0.00108622379878
                   +0 :               0.00067693826194
                   +1 :               0.00163869944286
                3d
                   -2 :              -0.00009386657712
                   -1 :              -0.00002909339224
                   +0 :              -0.00002622144130
                   +1 :               0.00004070338631
                   +2 :               0.00004572070870
              2 vec=     5.186775     -0.000599      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00041275725665
                2s
                   +0 :              -0.00264841643119
                3s
                   +0 :               0.00149597376330
                2p
                   -1 :              -0.00232132286527
                   +0 :               0.00271490964027
                   +1 :               0.00231617320729
                3p
                   -1 :              -0.00053905077340
                   +0 :              -0.00079668752584
                   +1 :              -0.00009545076404
                3d
                   -2 :              -0.00002314689603
                   -1 :              -0.00035418462091
                   +0 :               0.00007831333964
                   +1 :               0.00025841973748
                   +2 :               0.00015644771742
              3 vec=    -2.593388     -4.492478      8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00056542979851
                2s
                   +0 :               0.00510084504877
                3s
                   +0 :              -0.00083589836291
                2p
                   -1 :              -0.00397109535877
                   +0 :               0.00157213993266
                   +1 :              -0.00163123249961
                3p
                   -1 :               0.00256057202002
                   +0 :               0.00056538785791
                   +1 :               0.00015885042640
                3d
                   -2 :               0.00005714143194
                   -1 :               0.00002551563500
                   +0 :               0.00021566210355
                   +1 :              -0.00024077200812
                   +2 :               0.00021557122412
              4 vec=     5.186775      8.983159      8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00015036147227
                2s
                   +0 :               0.00129028866066
                3s
                   +0 :              -0.00028090141853
                2p
                   -1 :               0.00050397712576
                   +0 :              -0.00015243778478
                   +1 :               0.00040677797598
                3p
                   -1 :               0.00006932275857
                   +0 :               0.00004943165597
                   +1 :              -0.00030628687144
                3d
                   -2 :               0.00003239071631
                   -1 :               0.00002046333974
                   +0 :               0.00002001126692
                   +1 :              -0.00000766399632
                   +2 :              -0.00003667109277
              5 vec=   -10.373550     -0.000599      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001355801963
                2s
                   +0 :              -0.00035003348670
                3s
                   +0 :               0.00003001080342
                2p
                   -1 :              -0.00023033528064
                   +0 :               0.00013452653629
                   +1 :               0.00025779963668
                3p
                   -1 :               0.00033135252020
                   +0 :              -0.00027695315916
                   +1 :              -0.00022612536111
                3d
                   -2 :               0.00000420988204
                   -1 :               0.00004103338969
                   +0 :              -0.00003579754825
                   +1 :              -0.00000088914137
                   +2 :               0.00003195733541
              6 vec=     5.186775     -8.984357      8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00004246866637
                2s
                   +0 :               0.00007079054918
                3s
                   +0 :              -0.00025704706667
                2p
                   -1 :               0.00042395660591
                   +0 :               0.00002981822638
                   +1 :               0.00060497471748
                3p
                   -1 :              -0.00003141707626
                   +0 :              -0.00020263072822
                   +1 :              -0.00010497959850
                3d
                   -2 :              -0.00002545009990
                   -1 :               0.00008467490902
                   +0 :              -0.00001304976569
                   +1 :               0.00004109290163
                   +2 :              -0.00001333110342
              7 vec=    -2.593388     13.475038      8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00003523200061
                2s
                   +0 :              -0.00023951809389
                3s
                   +0 :               0.00008390957521
                2p
                   -1 :              -0.00000447667133
                   +0 :              -0.00020544110977
                   +1 :              -0.00005073612689
                3p
                   -1 :              -0.00005248114987
                   +0 :               0.00007558090070
                   +1 :               0.00008590553377
                3d
                   -2 :               0.00000907519564
                   -1 :              -0.00000051789156
                   +0 :              -0.00000123321899
                   +1 :               0.00000773870963
                   +2 :               0.00000255002728
              8 vec=   -10.373550      8.983159      8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00004715114320
                2s
                   +0 :              -0.00040312851282
                3s
                   +0 :               0.00008455743790
                2p
                   -1 :              -0.00035929547246
                   +0 :              -0.00024660935615
                   +1 :               0.00003269284540
                3p
                   -1 :               0.00023440564540
                   +0 :               0.00008294380978
                   +1 :               0.00004187140059
                3d
                   -2 :              -0.00000092416861
                   -1 :               0.00001004080162
                   +0 :              -0.00000301351898
                   +1 :               0.00002020894242
                   +2 :              -0.00000991947228
              9 vec=    12.966938      4.491280      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00003774254530
                2s
                   +0 :               0.00026846979216
                3s
                   +0 :              -0.00004280310928
                2p
                   -1 :               0.00015303091956
                   +0 :               0.00017806786085
                   +1 :               0.00021443832803
                3p
                   -1 :              -0.00018358775417
                   +0 :              -0.00005017868662
                   +1 :              -0.00011313265466
                3d
                   -2 :              -0.00000763085037
                   -1 :               0.00000039902253
                   +0 :               0.00001726559587
                   +1 :               0.00000058560944
                   +2 :               0.00001268916383
             10 vec=    12.966938     -4.492478      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00004747605498
                2s
                   +0 :              -0.00076343562522
                3s
                   +0 :              -0.00012382937525
                2p
                   -1 :              -0.00004821370067
                   +0 :               0.00017054175174
                   +1 :              -0.00030420343051
                3p
                   -1 :              -0.00008113907364
                   +0 :              -0.00018237486986
                   +1 :              -0.00003601730377
                3d
                   -2 :              -0.00000247328146
                   -1 :              -0.00000230052532
                   +0 :              -0.00003591465050
                   +1 :               0.00001999841159
                   +2 :              -0.00003454105125
             11 vec=   -10.373550     -8.984357      8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00004221118794
                2s
                   +0 :               0.00030348321294
                3s
                   +0 :              -0.00008139739714
                2p
                   -1 :              -0.00025241777753
                   +0 :              -0.00004762393362
                   +1 :              -0.00004276739297
                3p
                   -1 :               0.00029485402743
                   +0 :               0.00007332882331
                   +1 :              -0.00001689295695
                3d
                   -2 :              -0.00000237246156
                   -1 :              -0.00000398115983
                   +0 :               0.00001311073594
                   +1 :              -0.00001582443461
                   +2 :               0.00002645843533
             12 vec=    -2.593388    -13.476236      8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00002143343356
                2s
                   +0 :               0.00022771592957
                3s
                   +0 :              -0.00002776662813
                2p
                   -1 :               0.00004620848070
                   +0 :              -0.00002020625023
                   +1 :               0.00008475371425
                3p
                   -1 :              -0.00005396490197
                   +0 :              -0.00003183198979
                   +1 :              -0.00000943187066
                3d
                   -2 :              -0.00001168776480
                   -1 :               0.00000332106016
                   +0 :              -0.00001370926199
                   +1 :              -0.00000078842160
                   +2 :              -0.00000714052544
             13 vec=    -2.593388      4.491280    -16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000158228647
                2s
                   +0 :              -0.00002418815191
                3s
                   +0 :              -0.00002896609112
                2p
                   -1 :              -0.00013868665961
                   +0 :               0.00000267685805
                   +1 :              -0.00004023572576
                3p
                   -1 :               0.00008783747438
                   +0 :              -0.00001039441880
                   +1 :              -0.00001611058858
                3d
                   -2 :               0.00000649630031
                   -1 :              -0.00000346794394
                   +0 :               0.00001109135274
                   +1 :               0.00000633144486
                   +2 :               0.00000463028116
             14 vec=     5.186775     -0.000599    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000830744679
                2s
                   +0 :               0.00007786360527
                3s
                   +0 :              -0.00001800578426
                2p
                   -1 :               0.00012961755231
                   +0 :              -0.00004060187332
                   +1 :              -0.00008941001451
                3p
                   -1 :              -0.00005565521828
                   +0 :               0.00002274915940
                   +1 :               0.00001421655739
                3d
                   -2 :               0.00000417230246
                   -1 :              -0.00000168508951
                   +0 :              -0.00000041922707
                   +1 :               0.00000022038356
                   +2 :               0.00000089702425
             15 vec=    -2.593388     -4.492478    -16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00000321338776
                2s
                   +0 :              -0.00006785424918
                3s
                   +0 :              -0.00003628077945
                2p
                   -1 :               0.00008075569811
                   +0 :               0.00003672582652
                   +1 :              -0.00017803148000
                3p
                   -1 :              -0.00002136910643
                   +0 :               0.00007057385764
                   +1 :               0.00007229963901
                3d
                   -2 :               0.00000042756671
                   -1 :              -0.00000384772882
                   +0 :              -0.00000035107124
                   +1 :               0.00000439143790
                   +2 :               0.00000115016010
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al(  1)  npairs=  15
              1 vec=     2.803193      1.376162     10.693237   |vec|=   11.139884
                2s
                   +0 :               0.00009605640920
                2p
                   -1 :               0.00002702322271
                   +0 :               0.00006080532006
                   +1 :              -0.00023538783953
                3s
                   +0 :              -0.00106328664949
                4s
                   +0 :               0.00057507867309
                3p
                   -1 :              -0.00088313607429
                   +0 :              -0.00117658081071
                   +1 :               0.00068679755952
                4p
                   -1 :              -0.00006532724298
                   +0 :               0.00041137234432
                   +1 :              -0.00028708151888
                3d
                   -2 :               0.00004286812952
                   -1 :              -0.00032479036001
                   +0 :              -0.00039927330387
                   +1 :              -0.00011819494755
                   +2 :              -0.00031412239946
              2 vec=    -4.976970     -3.115717     10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00035075179963
                2p
                   -1 :              -0.00032952582334
                   +0 :               0.00010435770348
                   +1 :               0.00000584120120
                3s
                   +0 :              -0.00121534953901
                4s
                   +0 :               0.00016472483345
                3p
                   -1 :               0.00156553004066
                   +0 :              -0.00067571191927
                   +1 :              -0.00005775942332
                4p
                   -1 :              -0.00028108517316
                   +0 :               0.00004843471316
                   +1 :               0.00016705718976
                3d
                   -2 :               0.00012436813373
                   -1 :               0.00027912747137
                   +0 :              -0.00006981357879
                   +1 :              -0.00004735038205
                   +2 :               0.00020309773285
              3 vec=    -4.976970      5.868041     10.693237   |vec|=   13.173817
                2s
                   +0 :               0.00004871621780
                2p
                   -1 :               0.00005370878957
                   +0 :               0.00008362428832
                   +1 :              -0.00017712174926
                3s
                   +0 :               0.00116718848721
                4s
                   +0 :              -0.00008003059605
                3p
                   -1 :               0.00031051964308
                   +0 :               0.00048273925761
                   +1 :               0.00008878681073
                4p
                   -1 :               0.00001271463056
                   +0 :               0.00005507651024
                   +1 :              -0.00019678606412
                3d
                   -2 :              -0.00017324615464
                   -1 :               0.00020003436757
                   +0 :               0.00000282348553
                   +1 :              -0.00008717302977
                   +2 :              -0.00000632107693
              4 vec=     2.803193     -7.607596     10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00005374109046
                2p
                   -1 :              -0.00012002414011
                   +0 :              -0.00005408575600
                   +1 :              -0.00007781984248
                3s
                   +0 :              -0.00031166512002
                4s
                   +0 :              -0.00009339836600
                3p
                   -1 :               0.00114250964921
                   +0 :              -0.00007839323655
                   +1 :               0.00024541115120
                4p
                   -1 :              -0.00026156682709
                   +0 :              -0.00006145925944
                   +1 :               0.00003401065714
                3d
                   -2 :               0.00008154688125
                   -1 :               0.00024626052946
                   +0 :               0.00000175114337
                   +1 :               0.00016291354763
                   +2 :               0.00007794461841
              5 vec=     2.803193      1.376162    -13.854306   |vec|=   14.201883
                2s
                   +0 :               0.00003297420766
                2p
                   -1 :               0.00006587899095
                   +0 :               0.00004368918812
                   +1 :               0.00000374937453
                3s
                   +0 :               0.00003192007025
                4s
                   +0 :              -0.00002492060674
                3p
                   -1 :              -0.00032975664384
                   +0 :              -0.00027185897598
                   +1 :              -0.00005966706197
                4p
                   -1 :               0.00011229675932
                   +0 :               0.00009495176894
                   +1 :               0.00003688702564
                3d
                   -2 :               0.00002469421431
                   -1 :              -0.00003322787499
                   +0 :               0.00003044714575
                   +1 :              -0.00000108065187
                   +2 :               0.00000348327918
              6 vec=    -4.976970     -3.115717    -13.854306   |vec|=   15.047249
                2s
                   +0 :              -0.00002862943069
                2p
                   -1 :              -0.00003766112263
                   +0 :               0.00002798650974
                   +1 :              -0.00003458497135
                3s
                   +0 :               0.00013568057063
                4s
                   +0 :              -0.00000703207508
                3p
                   -1 :               0.00011411072008
                   +0 :              -0.00018771882796
                   +1 :               0.00013790561188
                4p
                   -1 :              -0.00003146924459
                   +0 :               0.00003168382024
                   +1 :              -0.00005045743273
                3d
                   -2 :               0.00002978759764
                   -1 :               0.00002867663414
                   +0 :               0.00003286337930
                   +1 :               0.00000840404249
                   +2 :              -0.00003884279764
              7 vec=     2.803193     10.359920     10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00008778088945
                2p
                   -1 :              -0.00000202160248
                   +0 :               0.00004271999595
                   +1 :               0.00001356217271
                3s
                   +0 :              -0.00003181314282
                4s
                   +0 :               0.00002605583328
                3p
                   -1 :               0.00011352528056
                   +0 :              -0.00012499856077
                   +1 :               0.00006839028841
                4p
                   -1 :              -0.00004386245408
                   +0 :               0.00003422010397
                   +1 :               0.00002903116723
                3d
                   -2 :               0.00000309755350
                   -1 :              -0.00001287381645
                   +0 :              -0.00002395737098
                   +1 :               0.00002688664749
                   +2 :               0.00002047557682
              8 vec=    10.583355     -3.115717     10.693237   |vec|=   15.364258
                2s
                   +0 :              -0.00011955837017
                2p
                   -1 :               0.00001024690588
                   +0 :              -0.00006914916584
                   +1 :              -0.00001280952075
                3s
                   +0 :               0.00031310877674
                4s
                   +0 :              -0.00015630281854
                3p
                   -1 :              -0.00013659423941
                   +0 :               0.00029605349132
                   +1 :              -0.00002322720310
                4p
                   -1 :               0.00002015384966
                   +0 :              -0.00010480118844
                   +1 :              -0.00001507941276
                3d
                   -2 :              -0.00000429329916
                   -1 :              -0.00001781213699
                   +0 :               0.00003879262758
                   +1 :              -0.00002033437812
                   +2 :              -0.00003553554636
              9 vec=    -4.976970      5.868041    -13.854306   |vec|=   15.847584
                2s
                   +0 :               0.00005357794439
                2p
                   -1 :               0.00001684281059
                   +0 :               0.00004030300594
                   +1 :              -0.00000069285001
                3s
                   +0 :              -0.00018491573320
                4s
                   +0 :              -0.00001400942460
                3p
                   -1 :              -0.00017913288543
                   +0 :              -0.00029337213994
                   +1 :               0.00000728380394
                4p
                   -1 :               0.00000477545891
                   +0 :               0.00012827083877
                   +1 :               0.00000898673293
                3d
                   -2 :               0.00004385003689
                   -1 :              -0.00001740488659
                   +0 :               0.00009552438683
                   +1 :               0.00002649834645
                   +2 :               0.00005131420661
             10 vec=     2.803193     -7.607596    -13.854306   |vec|=   16.052264
                2s
                   +0 :              -0.00004845353115
                2p
                   -1 :               0.00001560899513
                   +0 :               0.00004083689927
                   +1 :               0.00002962993733
                3s
                   +0 :               0.00000495711966
                4s
                   +0 :               0.00000098277658
                3p
                   -1 :               0.00001424062662
                   +0 :              -0.00013703794529
                   +1 :              -0.00023300273142
                4p
                   -1 :              -0.00001562873469
                   +0 :               0.00000941964880
                   +1 :               0.00001804505773
                3d
                   -2 :               0.00006284331418
                   -1 :               0.00000436620319
                   +0 :               0.00003607773047
                   +1 :              -0.00005232475181
                   +2 :              -0.00000584595690
             11 vec=    10.583355      5.868041     10.693237   |vec|=   16.148889
                2s
                   +0 :               0.00015013069819
                2p
                   -1 :               0.00005887421138
                   +0 :               0.00008560283726
                   +1 :               0.00006280408477
                3s
                   +0 :              -0.00047018670021
                4s
                   +0 :               0.00014148800867
                3p
                   -1 :              -0.00025229913835
                   +0 :              -0.00039781883326
                   +1 :              -0.00028260295405
                4p
                   -1 :               0.00005407164140
                   +0 :               0.00010351529790
                   +1 :               0.00005134098104
                3d
                   -2 :              -0.00000272128780
                   -1 :              -0.00004251762907
                   +0 :              -0.00003263460104
                   +1 :              -0.00008259264208
                   +2 :              -0.00000948988048
             12 vec=   -12.757133      1.376162     10.693237   |vec|=   16.702801
                2s
                   +0 :               0.00005529388628
                2p
                   -1 :              -0.00002381583503
                   +0 :               0.00005088576680
                   +1 :              -0.00002442579761
                3s
                   +0 :              -0.00024558151949
                4s
                   +0 :               0.00006109862987
                3p
                   -1 :               0.00010024365879
                   +0 :              -0.00028001762438
                   +1 :               0.00013319776288
                4p
                   -1 :              -0.00002989098067
                   +0 :               0.00006087086385
                   +1 :              -0.00002894829808
                3d
                   -2 :              -0.00005171215923
                   -1 :               0.00001591906598
                   +0 :              -0.00003883511000
                   +1 :               0.00004809753084
                   +2 :              -0.00004185378983
             13 vec=    -4.976970    -12.099475     10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00012995678045
                2p
                   -1 :              -0.00004371060718
                   +0 :               0.00003787453593
                   +1 :               0.00002330561786
                3s
                   +0 :              -0.00066915789009
                4s
                   +0 :               0.00019657921955
                3p
                   -1 :               0.00031245241755
                   +0 :              -0.00031247378099
                   +1 :              -0.00011455391910
                4p
                   -1 :              -0.00005271791797
                   +0 :               0.00006553004355
                   +1 :               0.00002816106525
                3d
                   -2 :               0.00000270161954
                   -1 :               0.00007790725948
                   +0 :              -0.00003895377119
                   +1 :              -0.00000793332438
                   +2 :               0.00002369791145
             14 vec=     2.803193     10.359920    -13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00003366244748
                2p
                   -1 :              -0.00001081552458
                   +0 :               0.00000646333152
                   +1 :               0.00001277550988
                3s
                   +0 :               0.00034570012998
                4s
                   +0 :              -0.00004394656261
                3p
                   -1 :               0.00025046601891
                   +0 :              -0.00010225051841
                   +1 :              -0.00008308938635
                4p
                   -1 :              -0.00000464211968
                   +0 :               0.00003645657772
                   +1 :               0.00001060724301
                3d
                   -2 :              -0.00003591337138
                   -1 :              -0.00001849225827
                   +0 :              -0.00003885911030
                   +1 :               0.00001760064805
                   +2 :              -0.00006725752124
             15 vec=    10.583355     -3.115717    -13.854306   |vec|=   17.710361
                2s
                   +0 :               0.00007097121630
                2p
                   -1 :              -0.00001723158668
                   +0 :               0.00001127833882
                   +1 :               0.00003910690051
                3s
                   +0 :              -0.00029690301119
                4s
                   +0 :               0.00005505464411
                3p
                   -1 :               0.00008539200693
                   +0 :              -0.00006931647849
                   +1 :              -0.00025116132455
                4p
                   -1 :              -0.00000866926162
                   +0 :               0.00003177299337
                   +1 :               0.00003364311851
                3d
                   -2 :               0.00002278991323
                   -1 :              -0.00000234647056
                   +0 :               0.00004290520940
                   +1 :               0.00000840429005
                   +2 :              -0.00005494547983
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al(  2)  npairs=  13
              1 vec=     2.803193      1.376162     -6.601980   |vec|=    7.303276
                2s
                   +0 :               0.00179890265561
                2p
                   -1 :               0.00045941731535
                   +0 :              -0.00023467442821
                   +1 :               0.00017961373331
                3s
                   +0 :              -0.00607940480447
                4s
                   +0 :               0.00164498635679
                3p
                   -1 :              -0.00604042016365
                   +0 :               0.00301918583021
                   +1 :               0.00323353890498
                4p
                   -1 :               0.00007808034587
                   +0 :              -0.00022235394592
                   +1 :              -0.00077428079729
                3d
                   -2 :              -0.00057702729144
                   -1 :               0.00222372284023
                   +0 :              -0.00071884802982
                   +1 :              -0.00006962321669
                   +2 :               0.00151931404057
              2 vec=    -4.976970     -3.115717     -6.601980   |vec|=    8.835387
                2s
                   +0 :               0.00148806072782
                2p
                   -1 :              -0.00076365579348
                   +0 :              -0.00016534112522
                   +1 :               0.00008469014794
                3s
                   +0 :              -0.01344854732045
                4s
                   +0 :               0.00320599967644
                3p
                   -1 :               0.00740397629388
                   +0 :               0.00608633038460
                   +1 :               0.00383394990215
                4p
                   -1 :              -0.00183377494238
                   +0 :              -0.00089929472693
                   +1 :               0.00003137839111
                3d
                   -2 :              -0.00213566583129
                   -1 :              -0.00171301568238
                   +0 :              -0.00046096184184
                   +1 :              -0.00153537568068
                   +2 :               0.00012993024248
              3 vec=    -4.976970      5.868041     -6.601980   |vec|=   10.138554
                2s
                   +0 :               0.00050875511399
                2p
                   -1 :               0.00004211323691
                   +0 :              -0.00045256350420
                   +1 :               0.00008911364090
                3s
                   +0 :              -0.00084540717427
                4s
                   +0 :               0.00020820159827
                3p
                   -1 :              -0.00019110823790
                   +0 :               0.00241362940575
                   +1 :              -0.00137007142325
                4p
                   -1 :              -0.00020080153060
                   +0 :              -0.00044603268235
                   +1 :               0.00025717604749
                3d
                   -2 :              -0.00014294301365
                   -1 :               0.00042138391598
                   +0 :               0.00002740659407
                   +1 :               0.00004788779183
                   +2 :               0.00014513032379
              4 vec=     2.803193     -7.607596     -6.601980   |vec|=   10.455599
                2s
                   +0 :               0.00152092759517
                2p
                   -1 :              -0.00042735752179
                   +0 :              -0.00034103614696
                   +1 :               0.00036494915055
                3s
                   +0 :              -0.00629222326948
                4s
                   +0 :               0.00205145497254
                3p
                   -1 :               0.00276963340124
                   +0 :               0.00253034720321
                   +1 :              -0.00182772877319
                4p
                   -1 :              -0.00068159252831
                   +0 :              -0.00068085148105
                   +1 :               0.00053189707049
                3d
                   -2 :               0.00059563390094
                   -1 :              -0.00030840312029
                   +0 :              -0.00025659183963
                   +1 :               0.00056687241188
                   +2 :               0.00007299064410
              5 vec=     2.803193     10.359920     -6.601980   |vec|=   12.600475
                2s
                   +0 :               0.00042151848993
                2p
                   -1 :               0.00033425823788
                   +0 :              -0.00019604755480
                   +1 :              -0.00004305181828
                3s
                   +0 :              -0.00086127840081
                4s
                   +0 :               0.00041295463145
                3p
                   -1 :              -0.00135231303371
                   +0 :               0.00066352684642
                   +1 :               0.00015302238156
                4p
                   -1 :               0.00041036269101
                   +0 :              -0.00025045188147
                   +1 :              -0.00003371814623
                3d
                   -2 :               0.00009251067822
                   -1 :               0.00016221113873
                   +0 :               0.00005139469514
                   +1 :              -0.00006086929136
                   +2 :               0.00005432419597
              6 vec=    10.583355     -3.115717     -6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00004775946797
                2p
                   -1 :              -0.00002688879855
                   +0 :              -0.00018058849205
                   +1 :               0.00004078106225
                3s
                   +0 :              -0.00021791428503
                4s
                   +0 :               0.00009547600006
                3p
                   -1 :               0.00000131549269
                   +0 :               0.00084681119040
                   +1 :              -0.00010239687568
                4p
                   -1 :               0.00007022236363
                   +0 :              -0.00019239864559
                   +1 :               0.00002256658371
                3d
                   -2 :              -0.00010973471508
                   -1 :              -0.00008329973305
                   +0 :              -0.00024005548529
                   +1 :               0.00020057640541
                   +2 :               0.00000333755062
              7 vec=    10.583355      5.868041     -6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00000369214937
                2p
                   -1 :               0.00012689715292
                   +0 :               0.00001930384295
                   +1 :              -0.00014742060271
                3s
                   +0 :               0.00022344997023
                4s
                   +0 :              -0.00021534083451
                3p
                   -1 :              -0.00036195706210
                   +0 :              -0.00015775300480
                   +1 :               0.00086802682525
                4p
                   -1 :              -0.00001819233580
                   +0 :               0.00007506063190
                   +1 :              -0.00032813195354
                3d
                   -2 :               0.00009282194364
                   -1 :               0.00009635162273
                   +0 :              -0.00006913070299
                   +1 :              -0.00009037654890
                   +2 :              -0.00004078490940
              8 vec=   -12.757133      1.376162     -6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00000296054643
                2p
                   -1 :              -0.00006183801834
                   +0 :               0.00002574077051
                   +1 :               0.00002356866320
                3s
                   +0 :               0.00023365198053
                4s
                   +0 :              -0.00020084899572
                3p
                   -1 :               0.00026840422743
                   +0 :              -0.00021814146375
                   +1 :              -0.00041893508791
                4p
                   -1 :              -0.00008865709536
                   +0 :               0.00008165414431
                   +1 :               0.00022155710717
                3d
                   -2 :              -0.00004838915554
                   -1 :              -0.00005489548202
                   +0 :              -0.00001400804568
                   +1 :               0.00000572266906
                   +2 :               0.00013019274717
              9 vec=    -4.976970    -12.099475     -6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00012476338642
                2p
                   -1 :               0.00003250201759
                   +0 :               0.00001901115407
                   +1 :               0.00004435092480
                3s
                   +0 :               0.00020628896242
                4s
                   +0 :               0.00004397676614
                3p
                   -1 :              -0.00007868564144
                   +0 :               0.00004958469720
                   +1 :              -0.00031569297954
                4p
                   -1 :              -0.00002710584185
                   +0 :              -0.00007113083014
                   +1 :               0.00007648399818
                3d
                   -2 :               0.00003787888560
                   -1 :               0.00004494792690
                   +0 :              -0.00009855608128
                   +1 :               0.00005000213411
                   +2 :               0.00010728312729
             10 vec=   -12.757133     -7.607596     -6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00010569629790
                2p
                   -1 :              -0.00004325283725
                   +0 :              -0.00001503240094
                   +1 :              -0.00001129764621
                3s
                   +0 :              -0.00033318616985
                4s
                   +0 :               0.00006678586286
                3p
                   -1 :               0.00019982737207
                   +0 :               0.00007106441547
                   +1 :               0.00000369783715
                4p
                   -1 :              -0.00003667982488
                   +0 :              -0.00003023218918
                   +1 :               0.00002350019867
                3d
                   -2 :              -0.00004286040372
                   -1 :              -0.00000207306399
                   +0 :              -0.00001731576691
                   +1 :              -0.00000141005534
                   +2 :               0.00005640948332
             11 vec=    -4.976970     14.851799     -6.601980   |vec|=   16.998009
                2s
                   +0 :              -0.00008930894918
                2p
                   -1 :              -0.00003458779962
                   +0 :               0.00002878476178
                   +1 :              -0.00001095472882
                3s
                   +0 :               0.00053795582171
                4s
                   +0 :              -0.00011886757440
                3p
                   -1 :               0.00027801055227
                   +0 :              -0.00026556650505
                   +1 :               0.00005174767543
                4p
                   -1 :              -0.00003007444360
                   +0 :               0.00004112696773
                   +1 :              -0.00000647548544
                3d
                   -2 :               0.00001029248926
                   -1 :              -0.00006890788249
                   +0 :               0.00002257098889
                   +1 :               0.00000205792254
                   +2 :              -0.00004563854932
             12 vec=    10.583355    -12.099475     -6.601980   |vec|=   17.377884
                2s
                   +0 :              -0.00002127670283
                2p
                   -1 :               0.00003036613492
                   +0 :               0.00002209071251
                   +1 :              -0.00001571895131
                3s
                   +0 :              -0.00004335018879
                4s
                   +0 :              -0.00001628403732
                3p
                   -1 :              -0.00012992194112
                   +0 :              -0.00006522396391
                   +1 :               0.00001177963492
                4p
                   -1 :               0.00004019371915
                   +0 :               0.00002709737173
                   +1 :              -0.00000600159250
                3d
                   -2 :               0.00001650271844
                   -1 :               0.00002133160716
                   +0 :               0.00000394150939
                   +1 :              -0.00001674036786
                   +2 :              -0.00001615306706
             13 vec=   -12.757133     10.359920     -6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00001951133218
                2p
                   -1 :               0.00002587597911
                   +0 :               0.00000110993776
                   +1 :               0.00000626170908
                3s
                   +0 :               0.00008938347573
                4s
                   +0 :              -0.00001786497732
                3p
                   -1 :              -0.00012269630134
                   +0 :              -0.00000764517983
                   +1 :               0.00000004555317
                4p
                   -1 :               0.00003053338976
                   +0 :               0.00000048809854
                   +1 :              -0.00001639642478
                3d
                   -2 :               0.00000068512883
                   -1 :               0.00001729701537
                   +0 :               0.00002071502070
                   +1 :               0.00000208652406
                   +2 :              -0.00001441104567
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Cr(  3)  npairs=  14
              1 vec=     2.803193      1.376162      5.671791   |vec|=    6.474637
                3s
                   +0 :               0.00201211903111
                3p
                   -1 :              -0.00084368435528
                   +0 :               0.00002432910468
                   +1 :               0.00057973239793
                4s
                   +0 :              -0.00476634745946
                5s
                   +0 :               0.00154279038644
                3d
                   -2 :               0.00073114069570
                   -1 :              -0.00064638452685
                   +0 :              -0.00176368780894
                   +1 :               0.00046079133934
                   +2 :              -0.00156041072703
                4d
                   -2 :              -0.00139178369689
                   -1 :              -0.00148695037767
                   +0 :              -0.00183591199120
                   +1 :              -0.00075976282961
                   +2 :               0.00035004456147
                4p
                   -1 :               0.00044433748520
                   +0 :              -0.00184328494204
                   +1 :              -0.00081317280007
              2 vec=    -4.976970     -3.115717      5.671791   |vec|=    8.163770
                3s
                   +0 :               0.00182905495059
                3p
                   -1 :               0.00035342683855
                   +0 :               0.00013345686754
                   +1 :              -0.00092733083856
                4s
                   +0 :              -0.00098369102042
                5s
                   +0 :              -0.00017394353261
                3d
                   -2 :               0.00337734244872
                   -1 :              -0.00041420716875
                   +0 :              -0.00216024647902
                   +1 :               0.00049695105733
                   +2 :              -0.00048883135712
                4d
                   -2 :               0.00003283539478
                   -1 :              -0.00001514352149
                   +0 :              -0.00017279626961
                   +1 :               0.00138028674959
                   +2 :              -0.00066935463567
                4p
                   -1 :              -0.00195417317261
                   +0 :              -0.00172980351903
                   +1 :               0.00124220607342
              3 vec=    -4.976970      5.868041      5.671791   |vec|=    9.558941
                3s
                   +0 :              -0.00135920950852
                3p
                   -1 :              -0.00090574883742
                   +0 :              -0.00084597699815
                   +1 :              -0.00054914158037
                4s
                   +0 :               0.00222063925266
                5s
                   +0 :              -0.00029453767274
                3d
                   -2 :              -0.00083476739921
                   -1 :              -0.00028986279832
                   +0 :              -0.00070265589971
                   +1 :              -0.00048929658930
                   +2 :               0.00001788968046
                4d
                   -2 :               0.00025453742722
                   -1 :               0.00067945049677
                   +0 :              -0.00028881595817
                   +1 :               0.00033480600978
                   +2 :              -0.00038254052610
                4p
                   -1 :               0.00183613359297
                   +0 :               0.00101792570448
                   +1 :               0.00116012531963
              4 vec=     2.803193     -7.607596      5.671791   |vec|=    9.894576
                3s
                   +0 :               0.00207313977138
                3p
                   -1 :              -0.00031559180932
                   +0 :               0.00030646088738
                   +1 :               0.00238288053470
                4s
                   +0 :              -0.00258784620843
                5s
                   +0 :              -0.00014543960038
                3d
                   -2 :              -0.00103364918506
                   -1 :               0.00052650975265
                   +0 :              -0.00129234567689
                   +1 :               0.00104092089846
                   +2 :               0.00221623699343
                4d
                   -2 :               0.00062168903620
                   -1 :              -0.00064104640554
                   +0 :               0.00103397797698
                   +1 :              -0.00061840172152
                   +2 :              -0.00139306052851
                4p
                   -1 :               0.00008463245216
                   +0 :              -0.00016403838804
                   +1 :              -0.00430340893514
              5 vec=     2.803193     10.359920      5.671791   |vec|=   12.138989
                3s
                   +0 :              -0.00030669254697
                3p
                   -1 :              -0.00030999848156
                   +0 :              -0.00026540489941
                   +1 :              -0.00001549141002
                4s
                   +0 :               0.00049156339938
                5s
                   +0 :              -0.00015361372851
                3d
                   -2 :              -0.00011363898400
                   -1 :              -0.00090640332376
                   +0 :              -0.00019017035161
                   +1 :              -0.00005894841146
                   +2 :               0.00034840376167
                4d
                   -2 :               0.00009264642779
                   -1 :               0.00027360073688
                   +0 :              -0.00000147616512
                   +1 :               0.00002202580833
                   +2 :              -0.00009069588179
                4p
                   -1 :               0.00027200117219
                   +0 :               0.00019690983769
                   +1 :               0.00013282438900
              6 vec=    10.583355     -3.115717      5.671791   |vec|=   12.405012
                3s
                   +0 :               0.00048138619948
                3p
                   -1 :              -0.00023219887092
                   +0 :               0.00024597775449
                   +1 :               0.00040346289863
                4s
                   +0 :              -0.00088872949564
                5s
                   +0 :               0.00003022398332
                3d
                   -2 :              -0.00014212132429
                   -1 :              -0.00021658466056
                   +0 :               0.00022491669599
                   +1 :               0.00039244013012
                   +2 :               0.00010484104036
                4d
                   -2 :               0.00023276360609
                   -1 :               0.00018871728764
                   +0 :               0.00000572670745
                   +1 :              -0.00045453671739
                   +2 :              -0.00025060298310
                4p
                   -1 :               0.00031317229461
                   +0 :              -0.00038012822944
                   +1 :              -0.00073654909233
              7 vec=    10.583355      5.868041      5.671791   |vec|=   13.364525
                3s
                   +0 :              -0.00019071585366
                3p
                   -1 :              -0.00003261772727
                   +0 :               0.00006950124211
                   +1 :               0.00001754443734
                4s
                   +0 :               0.00041310795608
                5s
                   +0 :              -0.00007533421020
                3d
                   -2 :               0.00008525998590
                   -1 :               0.00032323097324
                   +0 :               0.00000035562615
                   +1 :              -0.00003205587243
                   +2 :               0.00001264976242
                4d
                   -2 :               0.00014681750364
                   -1 :               0.00004840211463
                   +0 :              -0.00003804042110
                   +1 :              -0.00014292092648
                   +2 :              -0.00018843526455
                4p
                   -1 :               0.00016511934206
                   +0 :              -0.00009111806862
                   +1 :              -0.00004026110245
              8 vec=   -12.757133      1.376162      5.671791   |vec|=   14.028809
                3s
                   +0 :              -0.00069897791187
                3p
                   -1 :               0.00022936643232
                   +0 :              -0.00014015150046
                   +1 :               0.00029156636010
                4s
                   +0 :               0.00123724709687
                5s
                   +0 :              -0.00006982297398
                3d
                   -2 :              -0.00039707204969
                   -1 :               0.00028489072410
                   +0 :               0.00002109836660
                   +1 :               0.00046339993433
                   +2 :              -0.00021413302680
                4d
                   -2 :               0.00025354317120
                   -1 :              -0.00019394009274
                   +0 :              -0.00001900365539
                   +1 :              -0.00020480980921
                   +2 :               0.00005670433632
                4p
                   -1 :              -0.00037661820905
                   +0 :               0.00023384851864
                   +1 :              -0.00042985693833
              9 vec=    -4.976970    -12.099475      5.671791   |vec|=   14.259619
                3s
                   +0 :               0.00016304636689
                3p
                   -1 :              -0.00012660504504
                   +0 :               0.00012778835619
                   +1 :              -0.00004049152868
                4s
                   +0 :              -0.00047915777257
                5s
                   +0 :               0.00013557416049
                3d
                   -2 :               0.00012550856397
                   -1 :              -0.00010057792113
                   +0 :               0.00010107403403
                   +1 :              -0.00025281925342
                   +2 :               0.00019744343368
                4d
                   -2 :              -0.00016210574349
                   -1 :               0.00014705979129
                   +0 :               0.00012370233634
                   +1 :              -0.00002668814512
                   +2 :               0.00006213810745
                4p
                   -1 :               0.00034934527918
                   +0 :              -0.00016544873075
                   +1 :               0.00006812415576
             10 vec=   -12.757133     -7.607596      5.671791   |vec|=   15.899345
                3s
                   +0 :               0.00028924869936
                3p
                   -1 :              -0.00011656311242
                   +0 :               0.00008312652184
                   +1 :              -0.00013877446126
                4s
                   +0 :              -0.00058498626497
                5s
                   +0 :               0.00004057427033
                3d
                   -2 :               0.00008318200352
                   -1 :              -0.00015123853444
                   +0 :               0.00000746438824
                   +1 :              -0.00010990690773
                   +2 :               0.00007388571041
                4d
                   -2 :              -0.00012533002193
                   -1 :               0.00010412798788
                   +0 :               0.00005211645735
                   +1 :               0.00010139733028
                   +2 :              -0.00008348310271
                4p
                   -1 :               0.00023167353646
                   +0 :              -0.00015578001288
                   +1 :               0.00032519936846
             11 vec=    -4.976970     14.851799      5.671791   |vec|=   16.658793
                3s
                   +0 :              -0.00013349891407
                3p
                   -1 :              -0.00008619909810
                   +0 :              -0.00003417244548
                   +1 :              -0.00000073253263
                4s
                   +0 :               0.00011498128543
                5s
                   +0 :               0.00000097491770
                3d
                   -2 :              -0.00004695456983
                   -1 :              -0.00026427151831
                   +0 :               0.00014159395154
                   +1 :              -0.00004061314761
                   +2 :               0.00035543402581
                4d
                   -2 :               0.00000416433746
                   -1 :               0.00006547710078
                   +0 :              -0.00000124469768
                   +1 :               0.00000704398323
                   +2 :              -0.00003623734016
                4p
                   -1 :               0.00004707167078
                   +0 :               0.00005701155549
                   +1 :               0.00000124465751
             12 vec=    10.583355    -12.099475      5.671791   |vec|=   17.046229
                3s
                   +0 :               0.00015133446685
                3p
                   -1 :              -0.00005911318869
                   +0 :               0.00009335161667
                   +1 :               0.00008757783502
                4s
                   +0 :              -0.00036851820170
                5s
                   +0 :               0.00005834108266
                3d
                   -2 :              -0.00021660980654
                   -1 :              -0.00014016088634
                   +0 :              -0.00000663670322
                   +1 :               0.00022521615206
                   +2 :               0.00002083303168
                4d
                   -2 :               0.00011228517448
                   -1 :               0.00011315886949
                   +0 :              -0.00003340126093
                   +1 :              -0.00017225667683
                   +2 :              -0.00003951548964
                4p
                   -1 :               0.00014798943995
                   +0 :              -0.00020100131926
                   +1 :              -0.00018127730270
             13 vec=   -12.757133     10.359920      5.671791   |vec|=   17.385097
                3s
                   +0 :               0.00000839978278
                3p
                   -1 :               0.00002116309605
                   +0 :              -0.00003144379391
                   +1 :               0.00000836128568
                4s
                   +0 :              -0.00001027600741
                5s
                   +0 :              -0.00000359073309
                3d
                   -2 :              -0.00004908872646
                   -1 :               0.00003434067837
                   +0 :               0.00004582255402
                   +1 :               0.00008163925918
                   +2 :              -0.00000790509444
                4d
                   -2 :               0.00000149315610
                   -1 :              -0.00000562496030
                   +0 :              -0.00002903578142
                   +1 :              -0.00000740989500
                   +2 :              -0.00000662703991
                4p
                   -1 :              -0.00002204720436
                   +0 :               0.00004614796200
                   +1 :              -0.00001424266206
             14 vec=     2.803193    -16.591354      5.671791   |vec|=   17.756693
                3s
                   +0 :               0.00003865766207
                3p
                   -1 :              -0.00001632279113
                   +0 :              -0.00003585432961
                   +1 :               0.00009079148585
                4s
                   +0 :              -0.00001591179240
                5s
                   +0 :              -0.00000189054479
                3d
                   -2 :              -0.00013952712027
                   -1 :              -0.00000095262381
                   +0 :               0.00002413902819
                   +1 :               0.00012595827222
                   +2 :               0.00000682411145
                4d
                   -2 :               0.00009801480284
                   -1 :              -0.00002284709273
                   +0 :              -0.00002530913250
                   +1 :              -0.00008090916479
                   +2 :               0.00003107651234
                4p
                   -1 :              -0.00000310223049
                   +0 :               0.00005703964689
                   +1 :              -0.00014094109849
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al(  4)  npairs=  14
              1 vec=     2.803193      1.376162     -1.580534   |vec|=    3.499971
                2s
                   +0 :               0.02086374961862
                2p
                   -1 :               0.00305087773461
                   +0 :              -0.01261642800476
                   +1 :               0.01992746108424
                3s
                   +0 :               0.03585916047416
                4s
                   +0 :               0.01136409792439
                3p
                   -1 :              -0.02896921989611
                   +0 :              -0.02380827613057
                   +1 :               0.03806973015290
                4p
                   -1 :               0.00629383838116
                   +0 :              -0.00610331848530
                   +1 :               0.01039946685447
                3d
                   -2 :              -0.00749239712325
                   -1 :               0.00316012595393
                   +0 :               0.00350612544000
                   +1 :              -0.02977964992752
                   +2 :               0.03287273693372
              2 vec=    -4.976970     -3.115717     -1.580534   |vec|=    6.080790
                2s
                   +0 :               0.00161124191155
                2p
                   -1 :               0.00058453597786
                   +0 :              -0.00142793412918
                   +1 :              -0.00073448290658
                3s
                   +0 :               0.00124827176638
                4s
                   +0 :               0.00188034804402
                3p
                   -1 :              -0.00430332851111
                   +0 :               0.00848041513140
                   +1 :               0.00371938320686
                4p
                   -1 :               0.00188147598995
                   +0 :              -0.00290810155764
                   +1 :              -0.00161057519717
                3d
                   -2 :              -0.00397449918488
                   -1 :              -0.00137893926760
                   +0 :               0.00172368878055
                   +1 :              -0.00203218923276
                   +2 :              -0.00109226398360
              3 vec=    -4.976970      5.868041     -1.580534   |vec|=    7.855076
                2s
                   +0 :               0.00009091598932
                2p
                   -1 :              -0.00030779746329
                   +0 :               0.00061332980356
                   +1 :               0.00036514610182
                3s
                   +0 :               0.01501395093038
                4s
                   +0 :              -0.00020353817536
                3p
                   -1 :               0.00201640106595
                   +0 :              -0.01201894138884
                   +1 :              -0.00992458553643
                4p
                   -1 :              -0.00019646213610
                   +0 :               0.00091415986871
                   +1 :              -0.00008780424532
                3d
                   -2 :              -0.00088411558735
                   -1 :              -0.00235612842996
                   +0 :               0.00090258562059
                   +1 :               0.00439885791685
                   +2 :               0.00298548076928
              4 vec=     2.803193     -7.607596     -1.580534   |vec|=    8.260236
                2s
                   +0 :               0.00066568370546
                2p
                   -1 :               0.00032291367716
                   +0 :              -0.00049216249696
                   +1 :              -0.00126252094278
                3s
                   +0 :              -0.00825208426336
                4s
                   +0 :               0.00163172030803
                3p
                   -1 :               0.00055447891714
                   +0 :               0.00753583175917
                   +1 :               0.01134068139766
                4p
                   -1 :              -0.00009831105308
                   +0 :              -0.00119406671243
                   +1 :              -0.00174258242418
                3d
                   -2 :              -0.00393076438819
                   -1 :              -0.00203530627737
                   +0 :              -0.00126028514392
                   +1 :              -0.00298352039545
                   +2 :              -0.00115568949869
              5 vec=     2.803193     10.359920     -1.580534   |vec|=   10.848222
                2s
                   +0 :              -0.00032959709520
                2p
                   -1 :              -0.00017218843324
                   +0 :              -0.00002263699737
                   +1 :              -0.00038819391629
                3s
                   +0 :               0.00228831856162
                4s
                   +0 :              -0.00034112303232
                3p
                   -1 :               0.00125427002894
                   +0 :              -0.00059766492250
                   +1 :               0.00228270338546
                4p
                   -1 :              -0.00018776598458
                   +0 :               0.00003703019277
                   +1 :              -0.00042385351684
                3d
                   -2 :               0.00075763113753
                   -1 :              -0.00025149813572
                   +0 :              -0.00017454850425
                   +1 :              -0.00014612684625
                   +2 :               0.00006247401511
              6 vec=    10.583355     -3.115717     -1.580534   |vec|=   11.145097
                2s
                   +0 :               0.00059019205003
                2p
                   -1 :              -0.00008187880087
                   +0 :               0.00015728087871
                   +1 :               0.00010447119842
                3s
                   +0 :              -0.00340460035561
                4s
                   +0 :               0.00039281240521
                3p
                   -1 :              -0.00003480799340
                   +0 :              -0.00000885012294
                   +1 :              -0.00167110591037
                4p
                   -1 :              -0.00013089452211
                   +0 :               0.00008376843105
                   +1 :               0.00001796002467
                3d
                   -2 :              -0.00017643535075
                   -1 :               0.00049204648654
                   +0 :              -0.00018698004042
                   +1 :               0.00014800509324
                   +2 :              -0.00051566616173
              7 vec=    10.583355      5.868041     -1.580534   |vec|=   12.204073
                2s
                   +0 :              -0.00002094330101
                2p
                   -1 :               0.00012321016422
                   +0 :              -0.00010679689687
                   +1 :              -0.00003409909591
                3s
                   +0 :               0.00056534422132
                4s
                   +0 :               0.00000627428159
                3p
                   -1 :              -0.00017266455472
                   +0 :               0.00016588680762
                   +1 :               0.00045665534156
                4p
                   -1 :               0.00021562960008
                   +0 :              -0.00012665661489
                   +1 :              -0.00012127200700
                3d
                   -2 :               0.00014070097961
                   -1 :              -0.00005885661626
                   +0 :              -0.00002384818854
                   +1 :               0.00002416354447
                   +2 :              -0.00012874123910
              8 vec=   -12.757133      1.376162     -1.580534   |vec|=   12.928122
                2s
                   +0 :              -0.00022754510874
                2p
                   -1 :               0.00003182131317
                   +0 :               0.00004255527207
                   +1 :              -0.00000971604662
                3s
                   +0 :               0.00055669697797
                4s
                   +0 :              -0.00009038847865
                3p
                   -1 :              -0.00020452932037
                   +0 :              -0.00038698793420
                   +1 :               0.00017302495704
                4p
                   -1 :               0.00010205908207
                   +0 :               0.00011651349517
                   +1 :              -0.00010405211635
                3d
                   -2 :               0.00010737734376
                   -1 :              -0.00013222256474
                   +0 :              -0.00005487013869
                   +1 :               0.00005393692587
                   +2 :              -0.00011914953786
              9 vec=    -4.976970    -12.099475     -1.580534   |vec|=   13.178225
                2s
                   +0 :               0.00017637717312
                2p
                   -1 :               0.00009145420167
                   +0 :              -0.00010759135569
                   +1 :              -0.00013020153355
                3s
                   +0 :              -0.00276446765746
                4s
                   +0 :               0.00008681359820
                3p
                   -1 :               0.00115256297393
                   +0 :               0.00236216138943
                   +1 :               0.00005428918486
                4p
                   -1 :               0.00019040166877
                   +0 :              -0.00036976833042
                   +1 :              -0.00005412635026
                3d
                   -2 :               0.00017511748034
                   -1 :              -0.00101252955630
                   +0 :              -0.00026031692137
                   +1 :              -0.00001341420597
                   +2 :               0.00030883118177
             10 vec=   -12.757133     -7.607596     -1.580534   |vec|=   14.937136
                2s
                   +0 :               0.00006844941104
                2p
                   -1 :               0.00000724335320
                   +0 :               0.00001064742213
                   +1 :               0.00003436090922
                3s
                   +0 :              -0.00027980324648
                4s
                   +0 :              -0.00002983751560
                3p
                   -1 :              -0.00017918861171
                   +0 :               0.00002134517341
                   +1 :              -0.00020673907393
                4p
                   -1 :               0.00003304745620
                   +0 :               0.00003884392069
                   +1 :               0.00011402313709
                3d
                   -2 :               0.00004944690024
                   -1 :               0.00009748538447
                   +0 :              -0.00001783375048
                   +1 :              -0.00001944694766
                   +2 :               0.00004542119133
             11 vec=    -4.976970     14.851799     -1.580534   |vec|=   15.743070
                2s
                   +0 :              -0.00012630211720
                2p
                   -1 :              -0.00007488716343
                   +0 :               0.00002933936187
                   +1 :               0.00000823595696
                3s
                   +0 :               0.00046812259958
                4s
                   +0 :              -0.00017981041403
                3p
                   -1 :               0.00047285775624
                   +0 :              -0.00022160548611
                   +1 :              -0.00001928400910
                4p
                   -1 :              -0.00012309578226
                   +0 :               0.00006339520858
                   +1 :              -0.00000400492123
                3d
                   -2 :              -0.00000533636460
                   -1 :              -0.00004898711969
                   +0 :              -0.00008074271000
                   +1 :               0.00000801797667
                   +2 :              -0.00012461086637
             12 vec=    10.583355    -12.099475     -1.580534   |vec|=   16.152486
                2s
                   +0 :               0.00001296320544
                2p
                   -1 :               0.00000852326880
                   +0 :               0.00000552613754
                   +1 :              -0.00001428426274
                3s
                   +0 :               0.00007115310565
                4s
                   +0 :              -0.00012051882022
                3p
                   -1 :              -0.00016687103443
                   +0 :              -0.00004767000128
                   +1 :               0.00019758395190
                4p
                   -1 :               0.00007439916160
                   +0 :               0.00004205959160
                   +1 :              -0.00014211208242
                3d
                   -2 :               0.00002048069715
                   -1 :              -0.00000289013274
                   +0 :               0.00004122401145
                   +1 :               0.00003472504650
                   +2 :               0.00005386290898
             13 vec=   -12.757133     10.359920     -1.580534   |vec|=   16.509708
                2s
                   +0 :              -0.00001229661475
                2p
                   -1 :              -0.00000565257200
                   +0 :               0.00002423640757
                   +1 :              -0.00000235707567
                3s
                   +0 :              -0.00002256267943
                4s
                   +0 :               0.00000726106513
                3p
                   -1 :              -0.00002019043924
                   +0 :              -0.00009997040381
                   +1 :               0.00010678840188
                4p
                   -1 :               0.00001062458174
                   +0 :               0.00002913137432
                   +1 :              -0.00001322164394
                3d
                   -2 :               0.00000773220374
                   -1 :               0.00000032962329
                   +0 :               0.00000468685490
                   +1 :               0.00000139660190
                   +2 :              -0.00001716274858
             14 vec=     2.803193    -16.591354     -1.580534   |vec|=   16.900562
                2s
                   +0 :               0.00003276695730
                2p
                   -1 :              -0.00001443929975
                   +0 :               0.00001365250917
                   +1 :              -0.00001121349445
                3s
                   +0 :              -0.00039277216164
                4s
                   +0 :               0.00013631705177
                3p
                   -1 :               0.00026640132259
                   +0 :               0.00005295975219
                   +1 :               0.00005611988379
                4p
                   -1 :              -0.00008500066654
                   +0 :               0.00001020952578
                   +1 :              -0.00002565355046
                3d
                   -2 :              -0.00002800476069
                   -1 :              -0.00003395032170
                   +0 :               0.00001099415315
                   +1 :              -0.00000441045093
                   +2 :               0.00002526354617
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al(  5)  npairs=  14
              1 vec=     0.209805     -3.115717     -5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00237135438771
                2p
                   -1 :              -0.00072868114455
                   +0 :              -0.00184493071289
                   +1 :               0.00033778090235
                3s
                   +0 :              -0.00650327833358
                4s
                   +0 :               0.00430432072291
                3p
                   -1 :               0.00296541906874
                   +0 :               0.01275390673490
                   +1 :              -0.00123210836825
                4p
                   -1 :              -0.00080080589758
                   +0 :              -0.00536542603713
                   +1 :               0.00013692677801
                3d
                   -2 :               0.00042076314846
                   -1 :              -0.00166856636218
                   +0 :              -0.00351786068277
                   +1 :              -0.00032610541327
                   +2 :               0.00170882493561
              2 vec=     0.209805      5.868041     -5.671873   |vec|=    8.163827
                2s
                   +0 :               0.00032197475652
                2p
                   -1 :               0.00009779625399
                   +0 :               0.00055795591037
                   +1 :              -0.00015269612437
                3s
                   +0 :               0.00511868455109
                4s
                   +0 :               0.00018027052174
                3p
                   -1 :               0.00344729550729
                   +0 :              -0.00093668506711
                   +1 :               0.00025869349887
                4p
                   -1 :               0.00038940306940
                   +0 :               0.00064179074876
                   +1 :               0.00006306650551
                3d
                   -2 :              -0.00052277348787
                   -1 :               0.00047430014259
                   +0 :              -0.00191805569846
                   +1 :               0.00001735785267
                   +2 :              -0.00177736788443
              3 vec=    -7.570358      1.376162     -5.671873   |vec|=    9.558990
                2s
                   +0 :              -0.00041759756271
                2p
                   -1 :               0.00002715736699
                   +0 :               0.00024334561484
                   +1 :               0.00083811012551
                3s
                   +0 :               0.00209173622874
                4s
                   +0 :              -0.00091950037372
                3p
                   -1 :               0.00116862677600
                   +0 :              -0.00087652557496
                   +1 :              -0.00462691415596
                4p
                   -1 :              -0.00062923573082
                   +0 :               0.00018033985172
                   +1 :               0.00129758440254
                3d
                   -2 :               0.00000720382682
                   -1 :              -0.00026946080405
                   +0 :              -0.00014359924856
                   +1 :               0.00063280190179
                   +2 :               0.00062543756753
              4 vec=     7.989968      1.376162     -5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00012689372567
                2p
                   -1 :              -0.00065072612551
                   +0 :               0.00043116818234
                   +1 :              -0.00002318645235
                3s
                   +0 :              -0.00003491839869
                4s
                   +0 :              -0.00024515630611
                3p
                   -1 :               0.00301455504387
                   +0 :              -0.00235998516670
                   +1 :               0.00058026360810
                4p
                   -1 :              -0.00061034888412
                   +0 :               0.00084462789020
                   +1 :              -0.00054236562173
                3d
                   -2 :               0.00025171340481
                   -1 :              -0.00013024522109
                   +0 :               0.00030708105646
                   +1 :              -0.00060795441643
                   +2 :               0.00017869899734
              5 vec=    -7.570358     -7.607596     -5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00025891649816
                2p
                   -1 :              -0.00000463082967
                   +0 :               0.00003664233125
                   +1 :               0.00021254833788
                3s
                   +0 :               0.00054528699490
                4s
                   +0 :              -0.00018524729782
                3p
                   -1 :               0.00024874108481
                   +0 :              -0.00025850073359
                   +1 :              -0.00085499088708
                4p
                   -1 :              -0.00013960519819
                   +0 :               0.00012547960741
                   +1 :               0.00022228232677
                3d
                   -2 :              -0.00000818919037
                   -1 :              -0.00002067411641
                   +0 :              -0.00002488470775
                   +1 :               0.00019855810022
                   +2 :               0.00013873132115
              6 vec=     7.989968     -7.607596     -5.671873   |vec|=   12.405049
                2s
                   +0 :              -0.00002061812173
                2p
                   -1 :               0.00011739028530
                   +0 :              -0.00002790665207
                   +1 :               0.00010599040185
                3s
                   +0 :              -0.00036904533437
                4s
                   +0 :              -0.00014658367948
                3p
                   -1 :              -0.00041576137099
                   +0 :               0.00006234491758
                   +1 :              -0.00094993025921
                4p
                   -1 :               0.00022004134090
                   +0 :               0.00003317773357
                   +1 :               0.00007352818044
                3d
                   -2 :               0.00022444149432
                   -1 :               0.00004889609116
                   +0 :               0.00008474200246
                   +1 :               0.00008946806339
                   +2 :              -0.00016993243490
              7 vec=     0.209805    -12.099475     -5.671873   |vec|=   13.364560
                2s
                   +0 :              -0.00022125746244
                2p
                   -1 :               0.00002481225188
                   +0 :              -0.00001248637827
                   +1 :              -0.00002530964482
                3s
                   +0 :               0.00074090551887
                4s
                   +0 :              -0.00023515457047
                3p
                   -1 :              -0.00029290525898
                   +0 :               0.00001066048366
                   +1 :               0.00015811002074
                4p
                   -1 :               0.00013396477734
                   +0 :              -0.00004643308416
                   +1 :              -0.00003232984127
                3d
                   -2 :               0.00001325454266
                   -1 :              -0.00002177120590
                   +0 :              -0.00010689091554
                   +1 :               0.00011521264940
                   +2 :               0.00009723554277
              8 vec=    -7.570358     10.359920     -5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00000195466617
                2p
                   -1 :               0.00003076584359
                   +0 :              -0.00000724118054
                   +1 :              -0.00009878738208
                3s
                   +0 :               0.00029646576271
                4s
                   +0 :              -0.00009843310659
                3p
                   -1 :               0.00011026636655
                   +0 :              -0.00000158232044
                   +1 :               0.00049986768757
                4p
                   -1 :              -0.00002725562900
                   +0 :               0.00001396532525
                   +1 :              -0.00012180685646
                3d
                   -2 :               0.00008806054151
                   -1 :               0.00004641486061
                   +0 :               0.00001017356331
                   +1 :              -0.00016065262865
                   +2 :              -0.00006837582847
              9 vec=     7.989968     10.359920     -5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00003110181786
                2p
                   -1 :               0.00008245879616
                   +0 :              -0.00004985228196
                   +1 :               0.00005385302536
                3s
                   +0 :               0.00016216411022
                4s
                   +0 :              -0.00006885673885
                3p
                   -1 :              -0.00045164480532
                   +0 :               0.00017595407099
                   +1 :              -0.00020636185549
                4p
                   -1 :               0.00009432158703
                   +0 :               0.00000712549006
                   +1 :               0.00001867913729
                3d
                   -2 :              -0.00012862622990
                   -1 :               0.00005103779338
                   +0 :               0.00006771710037
                   +1 :               0.00016809098190
                   +2 :               0.00012632772498
             10 vec=     0.209805     14.851799     -5.671873   |vec|=   15.899374
                2s
                   +0 :               0.00017098472856
                2p
                   -1 :               0.00014121498077
                   +0 :              -0.00000354034084
                   +1 :              -0.00001472132810
                3s
                   +0 :              -0.00050180323723
                4s
                   +0 :               0.00017103930063
                3p
                   -1 :              -0.00069493615272
                   +0 :              -0.00011144177163
                   +1 :               0.00008209919974
                4p
                   -1 :               0.00016111596572
                   +0 :               0.00007217832520
                   +1 :              -0.00003347015436
                3d
                   -2 :               0.00003183556061
                   -1 :               0.00005446269029
                   +0 :               0.00008351047838
                   +1 :              -0.00000269171514
                   +2 :               0.00014292380938
             11 vec=   -15.350520     -3.115717     -5.671873   |vec|=   16.658821
                2s
                   +0 :              -0.00000660988761
                2p
                   -1 :              -0.00002297001543
                   +0 :              -0.00003718066570
                   +1 :              -0.00003415059662
                3s
                   +0 :              -0.00006779526016
                4s
                   +0 :              -0.00001705498708
                3p
                   -1 :               0.00016843756180
                   +0 :               0.00020154073744
                   +1 :               0.00020432049542
                4p
                   -1 :              -0.00003965560563
                   +0 :              -0.00003614335647
                   +1 :              -0.00002788191487
                3d
                   -2 :              -0.00005623671058
                   -1 :              -0.00001665137045
                   +0 :               0.00001109582589
                   +1 :              -0.00006156540786
                   +2 :              -0.00004207883228
             12 vec=    15.770130     -3.115717     -5.671873   |vec|=   17.046256
                2s
                   +0 :               0.00003238203043
                2p
                   -1 :               0.00001781975236
                   +0 :              -0.00001398022717
                   +1 :               0.00003110460935
                3s
                   +0 :              -0.00021148621449
                4s
                   +0 :               0.00004481369581
                3p
                   -1 :              -0.00008425654042
                   +0 :               0.00011208564144
                   +1 :              -0.00020942519743
                4p
                   -1 :               0.00004525601529
                   +0 :              -0.00002393627188
                   +1 :               0.00005064947678
                3d
                   -2 :               0.00003636912410
                   -1 :              -0.00001803626432
                   +0 :              -0.00001794782835
                   +1 :               0.00005402674457
                   +2 :              -0.00001531249768
             13 vec=   -15.350520      5.868041     -5.671873   |vec|=   17.385124
                2s
                   +0 :               0.00001159200394
                2p
                   -1 :              -0.00002002004015
                   +0 :               0.00000957220325
                   +1 :               0.00000107832067
                3s
                   +0 :               0.00004934483972
                4s
                   +0 :              -0.00004547740624
                3p
                   -1 :               0.00010964908018
                   +0 :              -0.00006207698750
                   +1 :              -0.00005379183870
                4p
                   -1 :              -0.00005149472601
                   +0 :               0.00001844193304
                   +1 :               0.00002475584924
                3d
                   -2 :              -0.00000588982221
                   -1 :              -0.00000298546230
                   +0 :               0.00001898631607
                   +1 :               0.00000824195567
                   +2 :              -0.00000634671568
             14 vec=    15.770130      5.868041     -5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00000140556493
                2p
                   -1 :              -0.00001344434361
                   +0 :               0.00000974408762
                   +1 :               0.00000538852398
                3s
                   +0 :               0.00008027913089
                4s
                   +0 :              -0.00004541743593
                3p
                   -1 :               0.00003544595362
                   +0 :              -0.00002008685312
                   +1 :               0.00006424635729
                4p
                   -1 :               0.00000032379853
                   +0 :              -0.00000990346871
                   +1 :              -0.00003441052008
                3d
                   -2 :              -0.00001177035104
                   -1 :              -0.00001830476702
                   +0 :              -0.00000761639074
                   +1 :               0.00000978543339
                   +2 :              -0.00000298732307
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al(  6)  npairs=  14
              1 vec=     0.209805     -3.115717      1.580453   |vec|=    3.499934
                2s
                   +0 :              -0.04476786581158
                2p
                   -1 :               0.04203543628153
                   +0 :              -0.02851301655787
                   +1 :              -0.00174819651642
                3s
                   +0 :              -0.10341052397018
                4s
                   +0 :              -0.01626135266712
                3p
                   -1 :               0.06666429169250
                   +0 :              -0.05232546614258
                   +1 :              -0.01958289728166
                4p
                   -1 :               0.02335169882188
                   +0 :              -0.01332335515404
                   +1 :               0.00301130604005
                3d
                   -2 :               0.00775528848604
                   -1 :               0.05863972792748
                   +0 :              -0.00460796316607
                   +1 :              -0.00448283984001
                   +2 :               0.03680358930667
              2 vec=     0.209805      5.868041      1.580453   |vec|=    6.080769
                2s
                   +0 :              -0.00453872191953
                2p
                   -1 :              -0.00332254683307
                   +0 :              -0.00140715602582
                   +1 :               0.00008225667131
                3s
                   +0 :               0.00606360782368
                4s
                   +0 :              -0.00606048811780
                3p
                   -1 :               0.01002522474569
                   +0 :               0.00707066832402
                   +1 :              -0.00276389062882
                4p
                   -1 :              -0.00395955131884
                   +0 :              -0.00258521025004
                   +1 :               0.00089348562224
                3d
                   -2 :              -0.00163004359004
                   -1 :               0.00287929137346
                   +0 :              -0.00312261873336
                   +1 :              -0.00045353734215
                   +2 :              -0.00434509884181
              3 vec=    -7.570358      1.376162      1.580453   |vec|=    7.855060
                2s
                   +0 :              -0.00036650743195
                2p
                   -1 :               0.00034357345952
                   +0 :               0.00075788914041
                   +1 :               0.00031210250211
                3s
                   +0 :              -0.00137800197815
                4s
                   +0 :              -0.00012986303517
                3p
                   -1 :              -0.00090575725484
                   +0 :              -0.00443366696676
                   +1 :               0.00188412292676
                4p
                   -1 :              -0.00003384245821
                   +0 :               0.00073124806623
                   +1 :               0.00022161184547
                3d
                   -2 :               0.00008068155959
                   -1 :              -0.00035449605961
                   +0 :               0.00025457248485
                   +1 :               0.00210469119178
                   +2 :              -0.00087181624407
              4 vec=     7.989968      1.376162      1.580453   |vec|=    8.260220
                2s
                   +0 :              -0.00019633162453
                2p
                   -1 :              -0.00047161730931
                   +0 :              -0.00047937959640
                   +1 :               0.00029732332405
                3s
                   +0 :              -0.00036649040179
                4s
                   +0 :              -0.00045687641126
                3p
                   -1 :               0.00204448110620
                   +0 :               0.00195715790448
                   +1 :              -0.00313427448856
                4p
                   -1 :              -0.00087557413308
                   +0 :              -0.00071073926216
                   +1 :               0.00022718645361
                3d
                   -2 :              -0.00013174299366
                   -1 :               0.00054755782182
                   +0 :               0.00043024616293
                   +1 :              -0.00060871926834
                   +2 :              -0.00133636992658
              5 vec=    -7.570358     -7.607596      1.580453   |vec|=   10.848210
                2s
                   +0 :               0.00044888743389
                2p
                   -1 :              -0.00051698032728
                   +0 :              -0.00022662265718
                   +1 :              -0.00008092775970
                3s
                   +0 :              -0.00137835039046
                4s
                   +0 :               0.00031070876350
                3p
                   -1 :               0.00185696152021
                   +0 :               0.00079312421100
                   +1 :               0.00052617292663
                4p
                   -1 :              -0.00049904146718
                   +0 :              -0.00004948295023
                   +1 :               0.00004989555461
                3d
                   -2 :              -0.00075732908183
                   -1 :              -0.00008916985606
                   +0 :               0.00004972631809
                   +1 :               0.00023667961370
                   +2 :               0.00072558926300
              6 vec=     7.989968     -7.607596      1.580453   |vec|=   11.145086
                2s
                   +0 :              -0.00020364724669
                2p
                   -1 :               0.00006685978939
                   +0 :               0.00022981374460
                   +1 :               0.00011777883204
                3s
                   +0 :               0.00042160005023
                4s
                   +0 :               0.00040863421974
                3p
                   -1 :              -0.00025078820283
                   +0 :              -0.00123961388016
                   +1 :              -0.00129543205365
                4p
                   -1 :              -0.00014745376822
                   +0 :               0.00035579582141
                   +1 :               0.00045083353105
                3d
                   -2 :               0.00000500098131
                   -1 :               0.00001713448878
                   +0 :               0.00034131992570
                   +1 :              -0.00067684729357
                   +2 :              -0.00089546231754
              7 vec=     0.209805    -12.099475      1.580453   |vec|=   12.204063
                2s
                   +0 :               0.00021048596243
                2p
                   -1 :              -0.00009381427030
                   +0 :              -0.00001874383516
                   +1 :               0.00019274622611
                3s
                   +0 :              -0.00120506047930
                4s
                   +0 :               0.00011996498597
                3p
                   -1 :               0.00094715701730
                   +0 :              -0.00023641187014
                   +1 :              -0.00093401546396
                4p
                   -1 :              -0.00016857689797
                   +0 :              -0.00008474805410
                   +1 :               0.00040749800853
                3d
                   -2 :               0.00010146943312
                   -1 :               0.00006181891969
                   +0 :               0.00001624547030
                   +1 :               0.00007067349683
                   +2 :               0.00018613208087
              8 vec=    -7.570358     10.359920      1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00000144410729
                2p
                   -1 :               0.00006260051080
                   +0 :               0.00014699297150
                   +1 :              -0.00017048873513
                3s
                   +0 :               0.00170353063367
                4s
                   +0 :              -0.00011735544095
                3p
                   -1 :              -0.00035364849727
                   +0 :               0.00070882053349
                   +1 :              -0.00070061225551
                4p
                   -1 :               0.00000162824239
                   +0 :               0.00003498761268
                   +1 :              -0.00011417450106
                3d
                   -2 :               0.00022499649431
                   -1 :              -0.00006117879668
                   +0 :               0.00017615099941
                   +1 :              -0.00053776818864
                   +2 :               0.00041946256818
              9 vec=     7.989968     10.359920      1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00003109237759
                2p
                   -1 :              -0.00001703652781
                   +0 :              -0.00001835036401
                   +1 :               0.00009771688296
                3s
                   +0 :               0.00189551183808
                4s
                   +0 :              -0.00008601886090
                3p
                   -1 :               0.00043191740503
                   +0 :               0.00155937407620
                   +1 :               0.00102847073296
                4p
                   -1 :              -0.00002619425008
                   +0 :              -0.00017325762883
                   +1 :               0.00004046667746
                3d
                   -2 :               0.00020415761927
                   -1 :               0.00036431607638
                   +0 :               0.00014247673285
                   +1 :               0.00055053912681
                   +2 :               0.00026182937274
             10 vec=     0.209805     14.851799      1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00015912987786
                2p
                   -1 :              -0.00002762845731
                   +0 :               0.00000258437516
                   +1 :               0.00001011246624
                3s
                   +0 :               0.00096289521193
                4s
                   +0 :              -0.00022840111155
                3p
                   -1 :               0.00031636186825
                   +0 :               0.00018542089430
                   +1 :               0.00006582546495
                4p
                   -1 :              -0.00008251569380
                   +0 :               0.00002203237904
                   +1 :              -0.00002946296075
                3d
                   -2 :               0.00004203191711
                   -1 :               0.00000125941067
                   +0 :               0.00001410726560
                   +1 :              -0.00001260963138
                   +2 :               0.00000522648004
             11 vec=   -15.350520     -3.115717      1.580453   |vec|=   15.743062
                2s
                   +0 :              -0.00002073422888
                2p
                   -1 :              -0.00001945240563
                   +0 :              -0.00001640955420
                   +1 :               0.00003991178494
                3s
                   +0 :               0.00000479349281
                4s
                   +0 :              -0.00000313161243
                3p
                   -1 :               0.00005533967212
                   +0 :               0.00008323857390
                   +1 :              -0.00012268446327
                4p
                   -1 :              -0.00000978736275
                   +0 :              -0.00002591496589
                   +1 :               0.00001254428900
                3d
                   -2 :              -0.00000463413698
                   -1 :              -0.00001100669138
                   +0 :              -0.00002281197815
                   +1 :              -0.00004344902119
                   +2 :               0.00001177165620
             12 vec=    15.770130     -3.115717      1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00003217269510
                2p
                   -1 :               0.00001589420325
                   +0 :               0.00000662370134
                   +1 :               0.00000720145038
                3s
                   +0 :              -0.00022743621994
                4s
                   +0 :               0.00006577166720
                3p
                   -1 :              -0.00014062973451
                   +0 :              -0.00012965244286
                   +1 :              -0.00009810550514
                4p
                   -1 :               0.00000499520132
                   +0 :               0.00003248569099
                   +1 :               0.00004611958398
                3d
                   -2 :              -0.00005235605240
                   -1 :              -0.00005245770213
                   +0 :              -0.00001154081767
                   +1 :              -0.00001730377043
                   +2 :               0.00001602936949
             13 vec=   -15.350520      5.868041      1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00007393070571
                2p
                   -1 :              -0.00003659010281
                   +0 :              -0.00000050029381
                   +1 :               0.00001876471123
                3s
                   +0 :               0.00047764627682
                4s
                   +0 :              -0.00009485824777
                3p
                   -1 :               0.00028321815790
                   +0 :               0.00011132906165
                   +1 :              -0.00021202843603
                4p
                   -1 :              -0.00003771446008
                   +0 :               0.00001568329599
                   +1 :               0.00004007246907
                3d
                   -2 :              -0.00005454574374
                   -1 :               0.00008276868688
                   +0 :               0.00001658272869
                   +1 :              -0.00003615776108
                   +2 :              -0.00000062450825
             14 vec=    15.770130      5.868041      1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00001832588281
                2p
                   -1 :              -0.00000811124093
                   +0 :               0.00001295549827
                   +1 :               0.00001457480585
                3s
                   +0 :               0.00016487297152
                4s
                   +0 :              -0.00006308059805
                3p
                   -1 :               0.00010544610765
                   +0 :               0.00000255447705
                   +1 :              -0.00003669555144
                4p
                   -1 :              -0.00002645631806
                   +0 :               0.00000248585047
                   +1 :              -0.00000130836719
                3d
                   -2 :               0.00000375591675
                   -1 :               0.00004772108880
                   +0 :               0.00000281559078
                   +1 :              -0.00000766064654
                   +2 :              -0.00005459073105
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al(  7)  npairs=  15
              1 vec=     0.209805     -3.115717    -10.693319   |vec|=   11.139963
                2s
                   +0 :              -0.00077478780645
                2p
                   -1 :               0.00001406868396
                   +0 :               0.00025318294864
                   +1 :               0.00016457646756
                3s
                   +0 :               0.00233123224591
                4s
                   +0 :              -0.00053820050941
                3p
                   -1 :              -0.00101158924159
                   +0 :              -0.00123760379474
                   +1 :              -0.00077223924979
                4p
                   -1 :               0.00004788385447
                   +0 :               0.00026124297257
                   +1 :               0.00009694965348
                3d
                   -2 :              -0.00014125898173
                   -1 :               0.00038671458828
                   +0 :              -0.00031135279393
                   +1 :               0.00020871671630
                   +2 :              -0.00005706526532
              2 vec=     0.209805      5.868041    -10.693319   |vec|=   12.199385
                2s
                   +0 :               0.00002498702630
                2p
                   -1 :               0.00003796227492
                   +0 :              -0.00004015665307
                   +1 :              -0.00012817399684
                3s
                   +0 :               0.00047948319233
                4s
                   +0 :              -0.00011472414539
                3p
                   -1 :              -0.00009746067942
                   +0 :               0.00014409152679
                   +1 :               0.00057651508580
                4p
                   -1 :               0.00002249322469
                   +0 :               0.00004418690777
                   +1 :              -0.00024140821840
                3d
                   -2 :              -0.00004018017447
                   -1 :               0.00013336789456
                   +0 :              -0.00030252122262
                   +1 :              -0.00007416253148
                   +2 :               0.00027514446313
              3 vec=    -7.570358      1.376162    -10.693319   |vec|=   13.173883
                2s
                   +0 :              -0.00023482549728
                2p
                   -1 :               0.00004132328596
                   +0 :               0.00015120031226
                   +1 :               0.00027865043685
                3s
                   +0 :              -0.00030792576946
                4s
                   +0 :              -0.00006511550670
                3p
                   -1 :              -0.00070536004579
                   +0 :               0.00007850604629
                   +1 :              -0.00051995231913
                4p
                   -1 :               0.00018433860036
                   +0 :               0.00009394180204
                   +1 :               0.00017722092386
                3d
                   -2 :               0.00021844553971
                   -1 :               0.00016536121940
                   +0 :               0.00004905734714
                   +1 :               0.00001137600704
                   +2 :               0.00006725189289
              4 vec=     7.989968      1.376162    -10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00003823472729
                2p
                   -1 :              -0.00018854913549
                   +0 :               0.00006593971176
                   +1 :              -0.00007353177672
                3s
                   +0 :              -0.00083596076486
                4s
                   +0 :               0.00002035874384
                3p
                   -1 :               0.00059351651611
                   +0 :               0.00011771556911
                   +1 :              -0.00035923121859
                4p
                   -1 :              -0.00018505499569
                   +0 :               0.00016383785991
                   +1 :               0.00000806457968
                3d
                   -2 :              -0.00011651358705
                   -1 :              -0.00012322578594
                   +0 :               0.00018581794542
                   +1 :               0.00014918960866
                   +2 :              -0.00017364600705
              5 vec=     0.209805     -3.115717     13.854224   |vec|=   14.201804
                2s
                   +0 :              -0.00014005113091
                2p
                   -1 :               0.00009086939615
                   +0 :               0.00001030785586
                   +1 :               0.00000604321421
                3s
                   +0 :               0.00023111914139
                4s
                   +0 :              -0.00000152560573
                3p
                   -1 :              -0.00039288486170
                   +0 :              -0.00015911923161
                   +1 :              -0.00009249057670
                4p
                   -1 :               0.00003587785922
                   +0 :               0.00008804033390
                   +1 :               0.00004697702691
                3d
                   -2 :               0.00000125449979
                   -1 :              -0.00004025315385
                   +0 :              -0.00004660597083
                   +1 :              -0.00000869505156
                   +2 :               0.00008378925518
              6 vec=     0.209805      5.868041     13.854224   |vec|=   15.047174
                2s
                   +0 :              -0.00002999630256
                2p
                   -1 :               0.00004192811653
                   +0 :              -0.00000651221683
                   +1 :               0.00004380694844
                3s
                   +0 :               0.00005495474950
                4s
                   +0 :              -0.00004933326639
                3p
                   -1 :              -0.00029428349622
                   +0 :              -0.00004026819423
                   +1 :              -0.00019416688490
                4p
                   -1 :               0.00001900904991
                   +0 :               0.00001626998407
                   +1 :               0.00002551203869
                3d
                   -2 :              -0.00002346906762
                   -1 :               0.00000488111304
                   +0 :              -0.00002332519063
                   +1 :              -0.00006186605560
                   +2 :               0.00003506090184
              7 vec=    -7.570358     -7.607596    -10.693319   |vec|=   15.150343
                2s
                   +0 :              -0.00007421404737
                2p
                   -1 :               0.00003732457145
                   +0 :               0.00007274646626
                   +1 :               0.00003015067131
                3s
                   +0 :               0.00041120435260
                4s
                   +0 :              -0.00021425954981
                3p
                   -1 :              -0.00021592317075
                   +0 :              -0.00046809117001
                   +1 :              -0.00032339650786
                4p
                   -1 :               0.00006326167672
                   +0 :               0.00012564687657
                   +1 :               0.00011186558910
                3d
                   -2 :               0.00008504552423
                   -1 :               0.00005522838726
                   +0 :               0.00007663004067
                   +1 :               0.00009951696099
                   +2 :               0.00003410813768
              8 vec=     7.989968     -7.607596    -10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00007596012023
                2p
                   -1 :              -0.00000758289490
                   +0 :              -0.00000024173958
                   +1 :              -0.00001431670724
                3s
                   +0 :              -0.00021139459871
                4s
                   +0 :              -0.00002642564951
                3p
                   -1 :              -0.00005783815750
                   +0 :              -0.00002941578841
                   +1 :               0.00020402910163
                4p
                   -1 :               0.00007162984230
                   +0 :               0.00002965938826
                   +1 :              -0.00010085674239
                3d
                   -2 :              -0.00006628703849
                   -1 :               0.00002987017606
                   +0 :              -0.00001922128647
                   +1 :              -0.00002172417645
                   +2 :               0.00003137978633
              9 vec=    -7.570358      1.376162     13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00000690214170
                2p
                   -1 :               0.00001740252072
                   +0 :               0.00005382064645
                   +1 :              -0.00001668230610
                3s
                   +0 :               0.00018842480400
                4s
                   +0 :               0.00005496738706
                3p
                   -1 :              -0.00001489003940
                   +0 :              -0.00027741001928
                   +1 :              -0.00006544192482
                4p
                   -1 :              -0.00001677816938
                   +0 :               0.00011374330235
                   +1 :              -0.00001783096717
                3d
                   -2 :               0.00008562910157
                   -1 :               0.00000129829067
                   +0 :              -0.00009036623610
                   +1 :               0.00000679809503
                   +2 :               0.00003852918192
             10 vec=     7.989968      1.376162     13.854224   |vec|=   16.052194
                2s
                   +0 :               0.00001912546386
                2p
                   -1 :              -0.00000249254019
                   +0 :               0.00002101375209
                   +1 :               0.00004297548683
                3s
                   +0 :               0.00017755932875
                4s
                   +0 :               0.00003696302972
                3p
                   -1 :              -0.00016000344205
                   +0 :              -0.00003224798547
                   +1 :               0.00003196490759
                4p
                   -1 :               0.00000486288800
                   +0 :               0.00002343070545
                   +1 :               0.00002409140278
                3d
                   -2 :              -0.00007982366074
                   -1 :              -0.00001077421833
                   +0 :              -0.00005856503655
                   +1 :               0.00001519956796
                   +2 :               0.00001189637720
             11 vec=     0.209805    -12.099475    -10.693319   |vec|=   16.148943
                2s
                   +0 :              -0.00031446969568
                2p
                   -1 :               0.00013764069863
                   +0 :               0.00012916952886
                   +1 :              -0.00002719880827
                3s
                   +0 :               0.00100882624458
                4s
                   +0 :              -0.00034161359997
                3p
                   -1 :              -0.00059200271080
                   +0 :              -0.00060349042325
                   +1 :               0.00014335423766
                4p
                   -1 :               0.00011449129869
                   +0 :               0.00017404966242
                   +1 :              -0.00003018414508
                3d
                   -2 :              -0.00004830463513
                   -1 :               0.00014015724121
                   +0 :               0.00005337356824
                   +1 :              -0.00000559568144
                   +2 :              -0.00002417827180
             12 vec=    -7.570358     10.359920    -10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00000061080090
                2p
                   -1 :               0.00000404818529
                   +0 :              -0.00001638895425
                   +1 :              -0.00001083180613
                3s
                   +0 :               0.00012964580557
                4s
                   +0 :               0.00004449893857
                3p
                   -1 :              -0.00001302048670
                   +0 :              -0.00000368024483
                   +1 :              -0.00000305018183
                4p
                   -1 :               0.00002262245543
                   +0 :              -0.00003847959734
                   +1 :              -0.00002554601482
                3d
                   -2 :              -0.00003604108650
                   -1 :              -0.00001995800726
                   +0 :              -0.00001051333477
                   +1 :               0.00000101635615
                   +2 :               0.00003290141156
             13 vec=     7.989968     10.359920    -10.693319   |vec|=   16.897177
                2s
                   +0 :              -0.00013146694003
                2p
                   -1 :              -0.00002889596611
                   +0 :               0.00004574292075
                   +1 :              -0.00005174898407
                3s
                   +0 :               0.00048838087762
                4s
                   +0 :              -0.00010339854736
                3p
                   -1 :               0.00011187222472
                   +0 :              -0.00028162724848
                   +1 :               0.00024574250846
                4p
                   -1 :              -0.00001112861986
                   +0 :               0.00004493965102
                   +1 :              -0.00003350538426
                3d
                   -2 :               0.00003383852474
                   -1 :              -0.00002598288934
                   +0 :               0.00004616837622
                   +1 :              -0.00004724077567
                   +2 :              -0.00000626557410
             14 vec=    -7.570358     -7.607596     13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00002087238595
                2p
                   -1 :               0.00001188642619
                   +0 :              -0.00000668460399
                   +1 :              -0.00003473948280
                3s
                   +0 :              -0.00013158980432
                4s
                   +0 :              -0.00000357950671
                3p
                   -1 :              -0.00004541295528
                   +0 :               0.00001941677023
                   +1 :               0.00025573029300
                4p
                   -1 :               0.00002319658590
                   +0 :              -0.00000576183659
                   +1 :              -0.00002855209991
                3d
                   -2 :              -0.00000683733085
                   -1 :              -0.00002234789888
                   +0 :               0.00002283033941
                   +1 :               0.00002418780695
                   +2 :              -0.00004905627526
             15 vec=     7.989968     -7.607596     13.854224   |vec|=   17.710297
                2s
                   +0 :              -0.00001109323224
                2p
                   -1 :               0.00002983949208
                   +0 :              -0.00000019858934
                   +1 :              -0.00001110400707
                3s
                   +0 :              -0.00005676821198
                4s
                   +0 :               0.00000456378373
                3p
                   -1 :              -0.00009903795188
                   +0 :              -0.00002673081651
                   +1 :              -0.00000771916268
                4p
                   -1 :               0.00002929900525
                   +0 :               0.00000483726865
                   +1 :               0.00000597785222
                3d
                   -2 :              -0.00001350680647
                   -1 :              -0.00000863371123
                   +0 :               0.00000633681714
                   +1 :              -0.00001000271175
                   +2 :               0.00000846728604
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al(  8)  npairs=  13
              1 vec=     0.209805     -3.115717      6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00111516641702
                2p
                   -1 :              -0.00016592478765
                   +0 :               0.00117420472653
                   +1 :               0.00014983483772
                3s
                   +0 :              -0.00397826909243
                4s
                   +0 :               0.00188357496005
                3p
                   -1 :               0.00228145962669
                   +0 :              -0.00084173756381
                   +1 :              -0.00063246203728
                4p
                   -1 :              -0.00117290849677
                   +0 :               0.00117323911758
                   +1 :              -0.00005529747748
                3d
                   -2 :               0.00086385431966
                   -1 :              -0.00142199453874
                   +0 :               0.00092465945866
                   +1 :              -0.00023907024037
                   +2 :              -0.00007081564343
              2 vec=     0.209805      5.868041      6.601898   |vec|=    8.835326
                2s
                   +0 :              -0.00187040219484
                2p
                   -1 :              -0.00022990896009
                   +0 :              -0.00055389681769
                   +1 :              -0.00012116155331
                3s
                   +0 :               0.01759074281903
                4s
                   +0 :              -0.00265252534862
                3p
                   -1 :               0.00814957619727
                   +0 :               0.01041490892067
                   +1 :               0.00100269875508
                4p
                   -1 :              -0.00009032476739
                   +0 :              -0.00103606051215
                   +1 :              -0.00018642577056
                3d
                   -2 :              -0.00045237631089
                   -1 :               0.00314779663423
                   +0 :               0.00069791765342
                   +1 :              -0.00008003950550
                   +2 :              -0.00204600791041
              3 vec=    -7.570358      1.376162      6.601898   |vec|=   10.138500
                2s
                   +0 :              -0.00125875341699
                2p
                   -1 :              -0.00030615823908
                   +0 :              -0.00047002454560
                   +1 :               0.00071312716816
                3s
                   +0 :               0.00517162357963
                4s
                   +0 :              -0.00209213829432
                3p
                   -1 :               0.00137622311471
                   +0 :               0.00341832838295
                   +1 :              -0.00400868042305
                4p
                   -1 :              -0.00036202087519
                   +0 :              -0.00098977098314
                   +1 :               0.00128599106411
                3d
                   -2 :              -0.00030404896166
                   -1 :               0.00032460421687
                   +0 :               0.00005107669778
                   +1 :              -0.00081425322758
                   +2 :               0.00088036891251
              4 vec=     7.989968      1.376162      6.601898   |vec|=   10.455547
                2s
                   +0 :              -0.00055801881515
                2p
                   -1 :               0.00022524421389
                   +0 :              -0.00017898334060
                   +1 :              -0.00039258145473
                3s
                   +0 :               0.00222954577914
                4s
                   +0 :              -0.00081602579997
                3p
                   -1 :              -0.00107958618623
                   +0 :               0.00164537295710
                   +1 :               0.00194779033533
                4p
                   -1 :               0.00016028674344
                   +0 :              -0.00047815862360
                   +1 :              -0.00044275094529
                3d
                   -2 :              -0.00024075460130
                   -1 :              -0.00043474918067
                   +0 :              -0.00007143167123
                   +1 :               0.00053957372565
                   +2 :               0.00014726732851
              5 vec=    -7.570358     -7.607596      6.601898   |vec|=   12.600432
                2s
                   +0 :               0.00010925650755
                2p
                   -1 :               0.00025475842889
                   +0 :               0.00006796501105
                   +1 :               0.00013915411143
                3s
                   +0 :              -0.00158536422915
                4s
                   +0 :               0.00027851116080
                3p
                   -1 :              -0.00118176074494
                   +0 :              -0.00084022757630
                   +1 :              -0.00017067979313
                4p
                   -1 :               0.00039869212315
                   +0 :               0.00014556181525
                   +1 :               0.00011291387155
                3d
                   -2 :               0.00015491878583
                   -1 :              -0.00010275777076
                   +0 :              -0.00041643395061
                   +1 :               0.00027189629638
                   +2 :              -0.00018344779952
              6 vec=     7.989968     -7.607596      6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00000599203197
                2p
                   -1 :               0.00004425428674
                   +0 :              -0.00003683553056
                   +1 :              -0.00004588956691
                3s
                   +0 :              -0.00136694065220
                4s
                   +0 :               0.00039983363461
                3p
                   -1 :               0.00013491081434
                   +0 :              -0.00066303197459
                   +1 :              -0.00070435739524
                4p
                   -1 :              -0.00001390092354
                   +0 :               0.00015830886336
                   +1 :               0.00021680523890
                3d
                   -2 :               0.00021098056307
                   -1 :               0.00001281500280
                   +0 :               0.00008777209919
                   +1 :              -0.00009264328070
                   +2 :              -0.00009627847099
              7 vec=     0.209805    -12.099475      6.601898   |vec|=   13.785005
                2s
                   +0 :               0.00007449988039
                2p
                   -1 :              -0.00009143728632
                   +0 :               0.00007026282757
                   +1 :               0.00015384282492
                3s
                   +0 :              -0.00055047998541
                4s
                   +0 :               0.00024214917790
                3p
                   -1 :               0.00065804375239
                   +0 :              -0.00039585914363
                   +1 :              -0.00070988675175
                4p
                   -1 :              -0.00024903093905
                   +0 :               0.00018118846213
                   +1 :               0.00022586940782
                3d
                   -2 :              -0.00003784074278
                   -1 :               0.00000834512317
                   +0 :               0.00006067896225
                   +1 :               0.00002853581182
                   +2 :               0.00003262565803
              8 vec=    -7.570358     10.359920      6.601898   |vec|=   14.429945
                2s
                   +0 :              -0.00023208101072
                2p
                   -1 :              -0.00008339572583
                   +0 :              -0.00008870581797
                   +1 :              -0.00001866561431
                3s
                   +0 :               0.00096298947173
                4s
                   +0 :              -0.00030524372415
                3p
                   -1 :               0.00041058447363
                   +0 :               0.00044640772267
                   +1 :               0.00003543656272
                4p
                   -1 :              -0.00010909855248
                   +0 :              -0.00007917901000
                   +1 :              -0.00005698872114
                3d
                   -2 :               0.00002423299139
                   -1 :               0.00010383052821
                   +0 :               0.00006844572636
                   +1 :               0.00000365957479
                   +2 :              -0.00001254377445
              9 vec=     7.989968     10.359920      6.601898   |vec|=   14.654439
                2s
                   +0 :               0.00002214048126
                2p
                   -1 :               0.00003683549681
                   +0 :               0.00002170539571
                   +1 :              -0.00006574706512
                3s
                   +0 :              -0.00001730625148
                4s
                   +0 :              -0.00005660789844
                3p
                   -1 :              -0.00022739259586
                   +0 :              -0.00003676645331
                   +1 :               0.00037494381475
                4p
                   -1 :               0.00001349226382
                   +0 :              -0.00003722104124
                   +1 :              -0.00009942506980
                3d
                   -2 :               0.00007414191312
                   -1 :              -0.00007804170090
                   +0 :              -0.00001868124476
                   +1 :               0.00006968285715
                   +2 :               0.00006080433722
             10 vec=     0.209805     14.851799      6.601898   |vec|=   16.254384
                2s
                   +0 :              -0.00011248906116
                2p
                   -1 :              -0.00003425800812
                   +0 :              -0.00003367784466
                   +1 :               0.00001446643112
                3s
                   +0 :               0.00041254352919
                4s
                   +0 :              -0.00010298732561
                3p
                   -1 :               0.00015414093081
                   +0 :               0.00019528858225
                   +1 :              -0.00007385314769
                4p
                   -1 :              -0.00002049040532
                   +0 :              -0.00003284828975
                   +1 :               0.00002782635703
                3d
                   -2 :              -0.00000496053631
                   -1 :               0.00005114922662
                   +0 :               0.00001399423577
                   +1 :              -0.00001651345944
                   +2 :              -0.00001347319345
             11 vec=   -15.350520     -3.115717      6.601898   |vec|=   16.997977
                2s
                   +0 :               0.00001255060851
                2p
                   -1 :              -0.00003051965417
                   +0 :               0.00000568910067
                   +1 :              -0.00001189616810
                3s
                   +0 :              -0.00004494575619
                4s
                   +0 :              -0.00002843921293
                3p
                   -1 :               0.00012008704443
                   +0 :              -0.00001281620822
                   +1 :               0.00003529358059
                4p
                   -1 :               0.00000620271457
                   +0 :              -0.00001347984354
                   +1 :               0.00001189907584
                3d
                   -2 :              -0.00003933917214
                   -1 :               0.00002206181023
                   +0 :               0.00000668376482
                   +1 :              -0.00002104128133
                   +2 :               0.00004405039833
             12 vec=    15.770130     -3.115717      6.601898   |vec|=   17.377853
                2s
                   +0 :               0.00006747147401
                2p
                   -1 :              -0.00000948885628
                   +0 :               0.00003460579833
                   +1 :               0.00001436131068
                3s
                   +0 :              -0.00027283850093
                4s
                   +0 :               0.00010787502632
                3p
                   -1 :               0.00002539526416
                   +0 :              -0.00020464053290
                   +1 :              -0.00009630824831
                4p
                   -1 :              -0.00000233101511
                   +0 :               0.00005619860672
                   +1 :               0.00003471622603
                3d
                   -2 :               0.00000855076687
                   -1 :               0.00001937143161
                   +0 :              -0.00002397021631
                   +1 :              -0.00006277519907
                   +2 :               0.00001249085415
             13 vec=   -15.350520      5.868041      6.601898   |vec|=   17.710376
                2s
                   +0 :              -0.00002614103775
                2p
                   -1 :              -0.00000733042912
                   +0 :               0.00001630219600
                   +1 :               0.00001003073154
                3s
                   +0 :               0.00010766431898
                4s
                   +0 :              -0.00002645350649
                3p
                   -1 :               0.00005388493297
                   +0 :              -0.00006201509361
                   +1 :              -0.00005436421999
                4p
                   -1 :              -0.00001846919116
                   +0 :               0.00000764287120
                   +1 :               0.00000543396057
                3d
                   -2 :              -0.00001613777847
                   -1 :              -0.00001504071839
                   +0 :              -0.00000324273872
                   +1 :               0.00003428131597
                   +2 :               0.00001017831120
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al(  9)  npairs=  14
              1 vec=    -2.383582      1.376162      2.510804   |vec|=    3.725510
                2s
                   +0 :               0.01385978279332
                2p
                   -1 :               0.00382435054584
                   +0 :               0.01152105335602
                   +1 :              -0.01393867292407
                3s
                   +0 :               0.03966649397378
                4s
                   +0 :               0.00666254485374
                3p
                   -1 :              -0.00796100929203
                   +0 :               0.03125158001437
                   +1 :              -0.02141989199217
                4p
                   -1 :               0.00341277498463
                   +0 :               0.00579266419421
                   +1 :              -0.00793612077730
                3d
                   -2 :              -0.00040337297353
                   -1 :              -0.00167412713569
                   +0 :               0.01051875802656
                   +1 :              -0.02864707454680
                   +2 :               0.02102101866024
              2 vec=     5.396580     -3.115717      2.510804   |vec|=    6.718252
                2s
                   +0 :               0.00437312554338
                2p
                   -1 :              -0.00041588512180
                   +0 :               0.00144446020313
                   +1 :               0.00296622341706
                3s
                   +0 :              -0.01659038789782
                4s
                   +0 :               0.00931229673447
                3p
                   -1 :               0.00035490533092
                   +0 :              -0.00773283430791
                   +1 :              -0.01205957659178
                4p
                   -1 :              -0.00081207977243
                   +0 :               0.00314460512432
                   +1 :               0.00492733927640
                3d
                   -2 :               0.00093292479031
                   -1 :              -0.00058043416011
                   +0 :              -0.00072294757644
                   +1 :              -0.00242069581023
                   +2 :               0.00074520804017
              3 vec=    -2.383582     -7.607596      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00098741342953
                2p
                   -1 :              -0.00085421004484
                   +0 :               0.00055295818805
                   +1 :               0.00061654186372
                3s
                   +0 :              -0.00548893426734
                4s
                   +0 :              -0.00136533660448
                3p
                   -1 :               0.00305719414674
                   +0 :              -0.00779721746876
                   +1 :              -0.00802012167941
                4p
                   -1 :               0.00081224861106
                   +0 :               0.00058478891634
                   +1 :               0.00271745576782
                3d
                   -2 :               0.00234167431022
                   -1 :               0.00111874913444
                   +0 :              -0.00195479429623
                   +1 :              -0.00177403978942
                   +2 :               0.00000394672631
              4 vec=     5.396580      5.868041      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00042695071689
                2p
                   -1 :               0.00043852196205
                   +0 :              -0.00000740932016
                   +1 :               0.00053801227747
                3s
                   +0 :               0.00268448106507
                4s
                   +0 :               0.00018571236371
                3p
                   -1 :              -0.00296050409052
                   +0 :               0.00400135073489
                   +1 :              -0.00094671132404
                4p
                   -1 :               0.00030470760946
                   +0 :               0.00014107492797
                   +1 :               0.00094430809064
                3d
                   -2 :              -0.00129562237717
                   -1 :              -0.00014602301744
                   +0 :               0.00239026451573
                   +1 :               0.00167482053766
                   +2 :               0.00067697114634
              5 vec=   -10.163745     -3.115717      2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00016331060495
                2p
                   -1 :               0.00003918852344
                   +0 :              -0.00002579073487
                   +1 :              -0.00013511031589
                3s
                   +0 :               0.00007609185879
                4s
                   +0 :              -0.00039392131191
                3p
                   -1 :              -0.00001995080429
                   +0 :              -0.00027196472051
                   +1 :               0.00107329858584
                4p
                   -1 :               0.00003773216901
                   +0 :               0.00007061375293
                   +1 :              -0.00018668813966
                3d
                   -2 :              -0.00004499648265
                   -1 :               0.00015009135925
                   +0 :               0.00003408076628
                   +1 :               0.00014756646937
                   +2 :              -0.00023903053644
              6 vec=    -2.383582     10.359920      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00052139460746
                2p
                   -1 :               0.00022576490868
                   +0 :               0.00003162664024
                   +1 :              -0.00022803113463
                3s
                   +0 :              -0.00000114971210
                4s
                   +0 :              -0.00037932459126
                3p
                   -1 :               0.00058490869455
                   +0 :              -0.00031957923613
                   +1 :               0.00106586065024
                4p
                   -1 :              -0.00047818789422
                   +0 :              -0.00000296194062
                   +1 :              -0.00020813394341
                3d
                   -2 :               0.00002517722608
                   -1 :               0.00018467575866
                   +0 :               0.00006355951641
                   +1 :               0.00027434878997
                   +2 :              -0.00026435810510
              7 vec=   -10.163745      5.868041      2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00024064799673
                2p
                   -1 :               0.00004415558890
                   +0 :               0.00003201692065
                   +1 :              -0.00003548958254
                3s
                   +0 :              -0.00055417915634
                4s
                   +0 :               0.00036040447252
                3p
                   -1 :              -0.00017092707733
                   +0 :               0.00029676489754
                   +1 :               0.00008633724813
                4p
                   -1 :               0.00022130792953
                   +0 :              -0.00001646712847
                   +1 :              -0.00002476941700
                3d
                   -2 :              -0.00034677559683
                   -1 :               0.00018989491511
                   +0 :               0.00011250684908
                   +1 :               0.00000551730442
                   +2 :              -0.00032423029346
              8 vec=     5.396580    -12.099475      2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00017273039321
                2p
                   -1 :               0.00018310467665
                   +0 :              -0.00022475129115
                   +1 :               0.00023847343432
                3s
                   +0 :              -0.00036231771504
                4s
                   +0 :               0.00000257243637
                3p
                   -1 :              -0.00027600020938
                   +0 :               0.00018609610699
                   +1 :              -0.00130745903334
                4p
                   -1 :               0.00007781858346
                   +0 :              -0.00013306928549
                   +1 :               0.00047336824475
                3d
                   -2 :               0.00022765021508
                   -1 :               0.00009446883438
                   +0 :              -0.00007465958576
                   +1 :              -0.00001263000843
                   +2 :              -0.00016292473444
              9 vec=    13.176743      1.376162      2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00009258691774
                2p
                   -1 :              -0.00005529814862
                   +0 :              -0.00008260816195
                   +1 :              -0.00003952556717
                3s
                   +0 :               0.00025911325231
                4s
                   +0 :              -0.00011157544880
                3p
                   -1 :               0.00022008359037
                   +0 :               0.00031925455973
                   +1 :               0.00022860330482
                4p
                   -1 :              -0.00001771195295
                   +0 :              -0.00011345244183
                   +1 :              -0.00008124219046
                3d
                   -2 :               0.00006561895085
                   -1 :              -0.00004067527859
                   +0 :               0.00000186895990
                   +1 :               0.00009467078845
                   +2 :               0.00009719043390
             10 vec=    13.176743     -7.607596      2.510804   |vec|=   15.420966
                2s
                   +0 :               0.00001281922514
                2p
                   -1 :              -0.00002541972056
                   +0 :              -0.00003765290071
                   +1 :              -0.00000332601597
                3s
                   +0 :              -0.00010961168512
                4s
                   +0 :               0.00003297064077
                3p
                   -1 :               0.00016060372041
                   +0 :               0.00021224430177
                   +1 :              -0.00004885888985
                4p
                   -1 :              -0.00004444992063
                   +0 :              -0.00007066760987
                   +1 :               0.00002830210919
                3d
                   -2 :               0.00002610318996
                   -1 :              -0.00002033589094
                   +0 :              -0.00001399575677
                   +1 :               0.00002862406464
                   +2 :              -0.00002078224497
             11 vec=   -10.163745    -12.099475      2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00000345026748
                2p
                   -1 :              -0.00001714314704
                   +0 :              -0.00003586816509
                   +1 :              -0.00001665263144
                3s
                   +0 :              -0.00011132781661
                4s
                   +0 :               0.00010821938294
                3p
                   -1 :               0.00010063482698
                   +0 :               0.00026496972421
                   +1 :               0.00015353786634
                4p
                   -1 :              -0.00006108201371
                   +0 :              -0.00004652426020
                   +1 :              -0.00007779209729
                3d
                   -2 :              -0.00005044488146
                   -1 :              -0.00007021865792
                   +0 :              -0.00000912929207
                   +1 :               0.00004852980399
                   +2 :               0.00000481075311
             12 vec=     5.396580     14.851799      2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00003066380782
                2p
                   -1 :              -0.00000437792670
                   +0 :               0.00002211319839
                   +1 :               0.00000514262222
                3s
                   +0 :               0.00001534331423
                4s
                   +0 :              -0.00001482794854
                3p
                   -1 :               0.00002853857496
                   +0 :              -0.00012137037972
                   +1 :              -0.00006568094584
                4p
                   -1 :              -0.00003974471955
                   +0 :               0.00004463689035
                   +1 :              -0.00000100498972
                3d
                   -2 :              -0.00003198348420
                   -1 :               0.00001615968048
                   +0 :              -0.00000670052687
                   +1 :              -0.00001433600936
                   +2 :               0.00002955598491
             13 vec=    -2.383582    -16.591354      2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00006478784461
                2p
                   -1 :              -0.00002166380551
                   +0 :              -0.00001093424346
                   +1 :               0.00001123838494
                3s
                   +0 :              -0.00038322426845
                4s
                   +0 :               0.00014864485567
                3p
                   -1 :               0.00017791311944
                   +0 :              -0.00001047625128
                   +1 :              -0.00009728911690
                4p
                   -1 :              -0.00008134766461
                   +0 :               0.00000624544620
                   +1 :               0.00004555307989
                3d
                   -2 :              -0.00001418916299
                   -1 :               0.00001101776307
                   +0 :              -0.00001443449584
                   +1 :              -0.00000030960927
                   +2 :               0.00000678086127
             14 vec=    13.176743     10.359920      2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00006067123977
                2p
                   -1 :               0.00003100786460
                   +0 :               0.00002381081721
                   +1 :               0.00002588170956
                3s
                   +0 :              -0.00015632774101
                4s
                   +0 :               0.00006873497637
                3p
                   -1 :              -0.00012685162905
                   +0 :              -0.00007631920853
                   +1 :              -0.00013612986403
                4p
                   -1 :               0.00003395923568
                   +0 :               0.00002333463471
                   +1 :               0.00003741013267
                3d
                   -2 :              -0.00001311743582
                   -1 :               0.00002405918970
                   +0 :              -0.00000550043727
                   +1 :              -0.00002671057452
                   +2 :               0.00000087503185
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al( 10)  npairs=  13
              1 vec=    -2.383582      1.376162      9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00026229399754
                2p
                   -1 :               0.00016071442201
                   +0 :              -0.00009099487932
                   +1 :               0.00025686266032
                3s
                   +0 :              -0.00148894413009
                4s
                   +0 :               0.00040777685499
                3p
                   -1 :              -0.00126461355995
                   +0 :              -0.00009157567951
                   +1 :              -0.00113067748569
                4p
                   -1 :               0.00021488095420
                   +0 :               0.00002250678792
                   +1 :               0.00037540900857
                3d
                   -2 :               0.00003920288411
                   -1 :              -0.00020459879725
                   +0 :              -0.00001300136665
                   +1 :               0.00008898321060
                   +2 :               0.00016632116627
              2 vec=     5.396580     -3.115717      9.763130   |vec|=   11.582292
                2s
                   +0 :               0.00044715891439
                2p
                   -1 :              -0.00003442249574
                   +0 :               0.00007497537036
                   +1 :               0.00006967395097
                3s
                   +0 :              -0.00144259438874
                4s
                   +0 :               0.00052428603938
                3p
                   -1 :               0.00008716387775
                   +0 :              -0.00059556855709
                   +1 :              -0.00035179375762
                4p
                   -1 :              -0.00005799232391
                   +0 :               0.00025522996527
                   +1 :               0.00004781268215
                3d
                   -2 :              -0.00015767759835
                   -1 :              -0.00015311095973
                   +0 :              -0.00005262193496
                   +1 :              -0.00012191302337
                   +2 :               0.00011070344069
              3 vec=    -2.383582     -7.607596      9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00009309361290
                2p
                   -1 :               0.00010556949850
                   +0 :              -0.00004922159111
                   +1 :              -0.00001893614312
                3s
                   +0 :              -0.00058424479569
                4s
                   +0 :              -0.00015187468234
                3p
                   -1 :               0.00034899128813
                   +0 :               0.00005073725376
                   +1 :              -0.00003207610635
                4p
                   -1 :              -0.00003727216634
                   +0 :              -0.00020542786055
                   +1 :               0.00012453320743
                3d
                   -2 :               0.00005741763008
                   -1 :              -0.00004375907298
                   +0 :               0.00006215195303
                   +1 :               0.00008390336565
                   +2 :               0.00011165412839
              4 vec=     5.396580      5.868041      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00003723350167
                2p
                   -1 :              -0.00009718445117
                   +0 :              -0.00004425257545
                   +1 :               0.00015258125224
                3s
                   +0 :               0.00129227950972
                4s
                   +0 :              -0.00026496783155
                3p
                   -1 :               0.00165923446235
                   +0 :               0.00065274108191
                   +1 :               0.00020075513844
                4p
                   -1 :              -0.00029727388025
                   +0 :              -0.00022172761315
                   +1 :               0.00002368103908
                3d
                   -2 :               0.00046590299653
                   -1 :               0.00031621532548
                   +0 :              -0.00018923964735
                   +1 :               0.00001010765064
                   +2 :              -0.00022948277308
              5 vec=   -10.163745     -3.115717      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00008640485506
                2p
                   -1 :               0.00007053746172
                   +0 :              -0.00001738460709
                   +1 :              -0.00000928732479
                3s
                   +0 :               0.00045522086207
                4s
                   +0 :              -0.00006552661976
                3p
                   -1 :              -0.00036213373690
                   +0 :              -0.00004309186188
                   +1 :              -0.00007781237047
                4p
                   -1 :               0.00004688103034
                   +0 :               0.00000542072749
                   +1 :               0.00001890084676
                3d
                   -2 :              -0.00006921814072
                   -1 :              -0.00008323540880
                   +0 :              -0.00003052180300
                   +1 :               0.00009180365860
                   +2 :              -0.00000253518778
              6 vec=    -2.383582     10.359920      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00003850156921
                2p
                   -1 :               0.00000522229256
                   +0 :               0.00001374212200
                   +1 :              -0.00000346565045
                3s
                   +0 :               0.00030246632195
                4s
                   +0 :              -0.00012049027343
                3p
                   -1 :              -0.00006371328852
                   +0 :              -0.00001840434911
                   +1 :              -0.00004580964140
                4p
                   -1 :               0.00000997069349
                   +0 :              -0.00001414737094
                   +1 :              -0.00001583637861
                3d
                   -2 :              -0.00000869552390
                   -1 :              -0.00005130697604
                   +0 :              -0.00000132585987
                   +1 :              -0.00006191664689
                   +2 :               0.00004843273765
              7 vec=    -2.383582      1.376162    -14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00000489981763
                2p
                   -1 :              -0.00001173101366
                   +0 :               0.00000157119537
                   +1 :               0.00000798706490
                3s
                   +0 :               0.00010322660051
                4s
                   +0 :              -0.00005459596287
                3p
                   -1 :               0.00012945975260
                   +0 :              -0.00007561794754
                   +1 :              -0.00002385611302
                4p
                   -1 :              -0.00003002233330
                   +0 :               0.00003207523965
                   +1 :              -0.00001165856179
                3d
                   -2 :               0.00004245756241
                   -1 :              -0.00004238965081
                   +0 :               0.00003927597677
                   +1 :              -0.00000581678890
                   +2 :               0.00006385538136
              8 vec=   -10.163745      5.868041      9.763130   |vec|=   15.266117
                2s
                   +0 :               0.00030481140773
                2p
                   -1 :               0.00006059565739
                   +0 :               0.00009372989793
                   +1 :              -0.00018639396663
                3s
                   +0 :              -0.00096753669003
                4s
                   +0 :               0.00026279367209
                3p
                   -1 :              -0.00020778167220
                   +0 :              -0.00040401308892
                   +1 :               0.00098234021779
                4p
                   -1 :               0.00000064381595
                   +0 :               0.00006568451189
                   +1 :              -0.00021511313263
                3d
                   -2 :               0.00017762415637
                   -1 :              -0.00009338282507
                   +0 :               0.00004432014425
                   +1 :               0.00016406764185
                   +2 :              -0.00012844377919
              9 vec=     5.396580     -3.115717    -14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00008824923052
                2p
                   -1 :              -0.00003448602417
                   +0 :              -0.00001754182513
                   +1 :              -0.00000333194120
                3s
                   +0 :              -0.00022711037705
                4s
                   +0 :               0.00004632605178
                3p
                   -1 :               0.00012574548574
                   +0 :               0.00003261317072
                   +1 :               0.00008211847955
                4p
                   -1 :              -0.00002068408126
                   +0 :               0.00000789424981
                   +1 :              -0.00000816184274
                3d
                   -2 :               0.00002687074648
                   -1 :               0.00001650847972
                   +0 :               0.00004018585096
                   +1 :              -0.00003610351597
                   +2 :              -0.00004905797876
             10 vec=     5.396580    -12.099475      9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00007806369777
                2p
                   -1 :              -0.00001167136569
                   +0 :               0.00001219354179
                   +1 :               0.00008010047314
                3s
                   +0 :              -0.00039623872935
                4s
                   +0 :               0.00015290392537
                3p
                   -1 :               0.00014084406276
                   +0 :              -0.00010595768293
                   +1 :              -0.00050025880955
                4p
                   -1 :              -0.00008032638932
                   +0 :               0.00002751191725
                   +1 :               0.00015616414765
                3d
                   -2 :               0.00006161756328
                   -1 :               0.00003661511948
                   +0 :               0.00002600741586
                   +1 :              -0.00003979048383
                   +2 :               0.00006876330406
             11 vec=    13.176743      1.376162      9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00001142636975
                2p
                   -1 :              -0.00001532812990
                   +0 :               0.00001377207071
                   +1 :               0.00002247078048
                3s
                   +0 :               0.00002962748089
                4s
                   +0 :              -0.00002702159407
                3p
                   -1 :               0.00006377972888
                   +0 :              -0.00007713017824
                   +1 :              -0.00009015145266
                4p
                   -1 :              -0.00000296618178
                   +0 :               0.00000541155041
                   +1 :               0.00001660890466
                3d
                   -2 :              -0.00000937175426
                   -1 :               0.00000852451402
                   +0 :              -0.00000955273304
                   +1 :              -0.00002765252529
                   +2 :              -0.00002504919163
             12 vec=    -2.383582     -7.607596    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00013265555870
                2p
                   -1 :              -0.00001174676296
                   +0 :              -0.00004010354995
                   +1 :              -0.00001354775521
                3s
                   +0 :              -0.00043148462499
                4s
                   +0 :               0.00009274703231
                3p
                   -1 :               0.00009566017826
                   +0 :               0.00016683313478
                   +1 :               0.00014273742140
                4p
                   -1 :              -0.00002899922366
                   +0 :              -0.00002089898142
                   +1 :              -0.00001305034919
                3d
                   -2 :              -0.00007459654676
                   -1 :              -0.00002028577499
                   +0 :               0.00004082682557
                   +1 :              -0.00001614645330
                   +2 :              -0.00001781929720
             13 vec=     5.396580      5.868041    -14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00002356366837
                2p
                   -1 :               0.00001963661879
                   +0 :               0.00000275181523
                   +1 :              -0.00003279112886
                3s
                   +0 :              -0.00003117956837
                4s
                   +0 :               0.00003225850184
                3p
                   -1 :              -0.00023309426813
                   +0 :               0.00013184935409
                   +1 :               0.00017375223380
                4p
                   -1 :               0.00003838164600
                   +0 :              -0.00002792432037
                   +1 :              -0.00002839697101
                3d
                   -2 :              -0.00004807807084
                   -1 :               0.00006782778777
                   +0 :              -0.00007702135970
                   +1 :               0.00000267588360
                   +2 :              -0.00000694877441
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al( 11)  npairs=  14
              1 vec=    -2.383582      1.376162     -2.510641   |vec|=    3.725400
                2s
                   +0 :               0.00868882969786
                2p
                   -1 :               0.00358126910105
                   +0 :              -0.01010394218465
                   +1 :              -0.00946087990517
                3s
                   +0 :               0.03037926126263
                4s
                   +0 :               0.00150395298012
                3p
                   -1 :              -0.01858263467812
                   +0 :              -0.03033323230390
                   +1 :              -0.02734099120986
                4p
                   -1 :               0.00490074924616
                   +0 :              -0.00285933281335
                   +1 :              -0.00140398641631
                3d
                   -2 :               0.00569776641739
                   -1 :               0.00421533009039
                   +0 :               0.01261161394466
                   +1 :               0.02529600087802
                   +2 :               0.01992836572098
              2 vec=     5.396580     -3.115717     -2.510641   |vec|=    6.718191
                2s
                   +0 :              -0.00206970552878
                2p
                   -1 :               0.00061937241716
                   +0 :               0.00030812194536
                   +1 :              -0.00053959369511
                3s
                   +0 :               0.01457846346663
                4s
                   +0 :              -0.00466310436286
                3p
                   -1 :              -0.00489741345516
                   +0 :              -0.00665983512328
                   +1 :               0.00824392675636
                4p
                   -1 :               0.00099646748648
                   +0 :               0.00166651301858
                   +1 :              -0.00145703935681
                3d
                   -2 :               0.00042949465894
                   -1 :               0.00203725068690
                   +0 :               0.00044425831384
                   +1 :              -0.00018698412609
                   +2 :               0.00170541160242
              3 vec=    -2.383582     -7.607596     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00121719351191
                2p
                   -1 :               0.00101127029853
                   +0 :              -0.00043536084410
                   +1 :               0.00069798905604
                3s
                   +0 :              -0.00005878509040
                4s
                   +0 :              -0.00127893139126
                3p
                   -1 :              -0.00508812456296
                   +0 :               0.00670830749689
                   +1 :              -0.00480492134971
                4p
                   -1 :               0.00202262095850
                   +0 :              -0.00061962070778
                   +1 :               0.00014611692081
                3d
                   -2 :               0.00218286189797
                   -1 :              -0.00142025731769
                   +0 :              -0.00337577204494
                   +1 :               0.00125578284673
                   +2 :              -0.00100042160565
              4 vec=     5.396580      5.868041     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00089364500480
                2p
                   -1 :              -0.00025004805116
                   +0 :               0.00058012663005
                   +1 :              -0.00061916969898
                3s
                   +0 :               0.00801824907776
                4s
                   +0 :              -0.00122569479986
                3p
                   -1 :              -0.00044683253902
                   +0 :              -0.00789187274415
                   +1 :               0.00542541376321
                4p
                   -1 :               0.00010393209128
                   +0 :               0.00111832913244
                   +1 :              -0.00086983894708
                3d
                   -2 :              -0.00081051719088
                   -1 :              -0.00007730875303
                   +0 :               0.00132883078059
                   +1 :              -0.00211667784844
                   +2 :               0.00125241667990
              5 vec=   -10.163745     -3.115717     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00029164082479
                2p
                   -1 :               0.00008545209017
                   +0 :               0.00014412539354
                   +1 :               0.00030983551118
                3s
                   +0 :              -0.00029859059135
                4s
                   +0 :              -0.00011000691262
                3p
                   -1 :              -0.00006841083928
                   +0 :              -0.00077580556043
                   +1 :              -0.00045699502903
                4p
                   -1 :               0.00010712351517
                   +0 :               0.00031007846370
                   +1 :               0.00014086839806
                3d
                   -2 :               0.00007812492685
                   -1 :               0.00003247482146
                   +0 :              -0.00026303163797
                   +1 :              -0.00003275532939
                   +2 :               0.00005463004762
              6 vec=    -2.383582     10.359920     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00001287703440
                2p
                   -1 :              -0.00008117261655
                   +0 :               0.00005374019847
                   +1 :               0.00017691291928
                3s
                   +0 :               0.00046392867558
                4s
                   +0 :              -0.00005272620507
                3p
                   -1 :               0.00065301637574
                   +0 :              -0.00033235550477
                   +1 :              -0.00059230185446
                4p
                   -1 :              -0.00017535016026
                   +0 :               0.00005987303932
                   +1 :               0.00012215441431
                3d
                   -2 :              -0.00031748644613
                   -1 :              -0.00034628559803
                   +0 :              -0.00022682238675
                   +1 :              -0.00028807755050
                   +2 :              -0.00011011958057
              7 vec=   -10.163745      5.868041     -2.510641   |vec|=   12.001622
                2s
                   +0 :               0.00010230435060
                2p
                   -1 :               0.00011321161117
                   +0 :              -0.00019885506074
                   +1 :              -0.00007953763748
                3s
                   +0 :              -0.00015403217232
                4s
                   +0 :               0.00028088706055
                3p
                   -1 :              -0.00028911587656
                   +0 :               0.00050405611538
                   +1 :               0.00036443730973
                4p
                   -1 :               0.00018719596944
                   +0 :              -0.00016687799286
                   +1 :              -0.00011243229131
                3d
                   -2 :               0.00005461621783
                   -1 :              -0.00016615381077
                   +0 :              -0.00006371248910
                   +1 :              -0.00007372594568
                   +2 :              -0.00014533552633
              8 vec=     5.396580    -12.099475     -2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00016355871905
                2p
                   -1 :              -0.00010052282480
                   +0 :              -0.00009861393040
                   +1 :              -0.00010674595357
                3s
                   +0 :              -0.00167748425003
                4s
                   +0 :               0.00041890111380
                3p
                   -1 :               0.00115564101153
                   +0 :               0.00125861857385
                   +1 :               0.00076808493916
                4p
                   -1 :              -0.00025567011350
                   +0 :              -0.00018118549943
                   +1 :              -0.00014596118415
                3d
                   -2 :              -0.00011620456210
                   -1 :              -0.00041675484322
                   +0 :              -0.00029980820472
                   +1 :               0.00000711634220
                   +2 :               0.00029896694399
              9 vec=    13.176743      1.376162     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00009060829802
                2p
                   -1 :               0.00013255219963
                   +0 :              -0.00001626202765
                   +1 :              -0.00010228798013
                3s
                   +0 :               0.00029319704670
                4s
                   +0 :              -0.00013383908736
                3p
                   -1 :              -0.00064809805424
                   +0 :              -0.00003712724198
                   +1 :               0.00054806270111
                4p
                   -1 :               0.00016673250959
                   +0 :               0.00010337402819
                   +1 :              -0.00016769656309
                3d
                   -2 :              -0.00022118483316
                   -1 :               0.00010073615259
                   +0 :              -0.00014721596374
                   +1 :              -0.00001552295721
                   +2 :               0.00014725045043
             10 vec=    13.176743     -7.607596     -2.510641   |vec|=   15.420940
                2s
                   +0 :               0.00006219509169
                2p
                   -1 :              -0.00003426837644
                   +0 :              -0.00003425985605
                   +1 :               0.00002690573214
                3s
                   +0 :              -0.00030565629511
                4s
                   +0 :               0.00011007160493
                3p
                   -1 :               0.00016392675709
                   +0 :               0.00023319499517
                   +1 :              -0.00014238625127
                4p
                   -1 :              -0.00005335218711
                   +0 :              -0.00007249802946
                   +1 :               0.00004548139202
                3d
                   -2 :               0.00000446231888
                   -1 :               0.00000018951706
                   +0 :               0.00002637472131
                   +1 :               0.00005713273996
                   +2 :               0.00001461670399
             11 vec=   -10.163745    -12.099475     -2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00004780203617
                2p
                   -1 :              -0.00005512674483
                   +0 :               0.00003471321273
                   +1 :              -0.00005323537164
                3s
                   +0 :              -0.00011568378285
                4s
                   +0 :               0.00007014129822
                3p
                   -1 :               0.00016864826315
                   +0 :              -0.00020842453435
                   +1 :               0.00023990931058
                4p
                   -1 :              -0.00006750530381
                   +0 :               0.00003009240386
                   +1 :              -0.00007605967897
                3d
                   -2 :              -0.00000294278040
                   -1 :               0.00002474273112
                   +0 :               0.00005680879728
                   +1 :               0.00001001201094
                   +2 :              -0.00004586781872
             12 vec=     5.396580     14.851799     -2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00003219782138
                2p
                   -1 :              -0.00005846449231
                   +0 :              -0.00003482698903
                   +1 :               0.00004575307750
                3s
                   +0 :               0.00024373037833
                4s
                   +0 :              -0.00013309697725
                3p
                   -1 :               0.00031508879812
                   +0 :               0.00009438272521
                   +1 :              -0.00016647657896
                4p
                   -1 :              -0.00011741756745
                   +0 :              -0.00000857049461
                   +1 :               0.00002548391347
                3d
                   -2 :               0.00000346142728
                   -1 :               0.00001313684426
                   +0 :               0.00001089352055
                   +1 :               0.00001009992815
                   +2 :              -0.00004010409492
             13 vec=    -2.383582    -16.591354     -2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00008079079501
                2p
                   -1 :               0.00003501401723
                   +0 :               0.00003451096094
                   +1 :               0.00001755884021
                3s
                   +0 :               0.00018858640197
                4s
                   +0 :              -0.00008988248578
                3p
                   -1 :              -0.00015129314946
                   +0 :              -0.00012627714834
                   +1 :              -0.00004185008522
                4p
                   -1 :               0.00003964561505
                   +0 :               0.00004935087045
                   +1 :               0.00000809042151
                3d
                   -2 :              -0.00000831042977
                   -1 :               0.00002301131016
                   +0 :               0.00001578421273
                   +1 :              -0.00003301905188
                   +2 :               0.00000220503987
             14 vec=    13.176743     10.359920     -2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00000580209511
                2p
                   -1 :              -0.00001335780410
                   +0 :              -0.00001064391793
                   +1 :               0.00000208241556
                3s
                   +0 :               0.00007719440951
                4s
                   +0 :              -0.00003665193232
                3p
                   -1 :               0.00003897063499
                   +0 :               0.00001669011962
                   +1 :               0.00001137102027
                4p
                   -1 :               0.00000961172328
                   +0 :              -0.00001037321548
                   +1 :              -0.00002816953449
                3d
                   -2 :               0.00001279304399
                   -1 :              -0.00000480300707
                   +0 :               0.00001167826351
                   +1 :              -0.00000307521683
                   +2 :               0.00000034054783
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site Al( 12)  npairs=  13
              1 vec=    -2.383582      1.376162     -9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00028881636218
                2p
                   -1 :              -0.00007490851342
                   +0 :              -0.00000501509493
                   +1 :              -0.00010422603989
                3s
                   +0 :               0.00088553650803
                4s
                   +0 :              -0.00027174188890
                3p
                   -1 :              -0.00012322684736
                   +0 :              -0.00002785407072
                   +1 :               0.00085737201241
                4p
                   -1 :              -0.00006633619119
                   +0 :               0.00006480490302
                   +1 :              -0.00026548701869
                3d
                   -2 :              -0.00035781717827
                   -1 :               0.00009931632111
                   +0 :              -0.00014512638216
                   +1 :              -0.00013358526170
                   +2 :              -0.00003574470046
              2 vec=     5.396580     -3.115717     -9.762967   |vec|=   11.582154
                2s
                   +0 :              -0.00000968693073
                2p
                   -1 :               0.00031109015283
                   +0 :              -0.00010382226658
                   +1 :              -0.00009113425476
                3s
                   +0 :              -0.00023608719074
                4s
                   +0 :               0.00025327297636
                3p
                   -1 :              -0.00151209397850
                   +0 :               0.00073681918384
                   +1 :               0.00049779527331
                4p
                   -1 :               0.00045340665019
                   +0 :              -0.00017084636576
                   +1 :              -0.00012963552821
                3d
                   -2 :               0.00005237568122
                   -1 :               0.00023593481744
                   +0 :              -0.00030793155951
                   +1 :               0.00008209846272
                   +2 :               0.00023045148045
              3 vec=    -2.383582     -7.607596     -9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00001531465018
                2p
                   -1 :               0.00006708109615
                   +0 :               0.00002997175499
                   +1 :               0.00017949416196
                3s
                   +0 :              -0.00075991851478
                4s
                   +0 :               0.00016908434340
                3p
                   -1 :               0.00031796699385
                   +0 :              -0.00001890413621
                   +1 :              -0.00090381972100
                4p
                   -1 :               0.00001023112147
                   +0 :               0.00001900410313
                   +1 :               0.00042731464187
                3d
                   -2 :              -0.00004405114201
                   -1 :               0.00011605959215
                   +0 :               0.00009358866545
                   +1 :              -0.00003724146574
                   +2 :              -0.00007481154959
              4 vec=     5.396580      5.868041     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00011075957305
                2p
                   -1 :               0.00003343004811
                   +0 :              -0.00005694880439
                   +1 :               0.00023687414899
                3s
                   +0 :               0.00204971620312
                4s
                   +0 :              -0.00017640470610
                3p
                   -1 :               0.00062365318016
                   +0 :              -0.00015593100781
                   +1 :               0.00060872983749
                4p
                   -1 :              -0.00000507963476
                   +0 :              -0.00013657681339
                   +1 :               0.00007348087294
                3d
                   -2 :               0.00025025608874
                   -1 :              -0.00011310003889
                   +0 :              -0.00027853751290
                   +1 :              -0.00003515217088
                   +2 :               0.00033903579640
              5 vec=   -10.163745     -3.115717     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00003690872866
                2p
                   -1 :               0.00015364828810
                   +0 :              -0.00002732695204
                   +1 :              -0.00006994751015
                3s
                   +0 :              -0.00012446599835
                4s
                   +0 :              -0.00002287925090
                3p
                   -1 :              -0.00094251495592
                   +0 :               0.00020398110532
                   +1 :               0.00026932655263
                4p
                   -1 :               0.00019967391004
                   +0 :              -0.00006749047383
                   +1 :               0.00001828447167
                3d
                   -2 :               0.00018102903935
                   -1 :               0.00018997602130
                   +0 :               0.00001516787884
                   +1 :              -0.00009412687322
                   +2 :              -0.00011306964736
              6 vec=    -2.383582     10.359920     -9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00019750326535
                2p
                   -1 :              -0.00005887189812
                   +0 :               0.00005758724847
                   +1 :               0.00001405254603
                3s
                   +0 :               0.00062181585529
                4s
                   +0 :              -0.00016625100766
                3p
                   -1 :               0.00029122072466
                   +0 :              -0.00028913561939
                   +1 :              -0.00012349885177
                4p
                   -1 :              -0.00004711980800
                   +0 :               0.00007051152841
                   +1 :              -0.00002196041151
                3d
                   -2 :              -0.00003890017933
                   -1 :              -0.00007256280940
                   +0 :              -0.00002606039811
                   +1 :               0.00002511731215
                   +2 :               0.00003097116651
              7 vec=    -2.383582      1.376162     14.784576   |vec|=   15.038583
                2s
                   +0 :               0.00005860112817
                2p
                   -1 :              -0.00004452785128
                   +0 :               0.00002537016500
                   +1 :               0.00001490995822
                3s
                   +0 :              -0.00013874270373
                4s
                   +0 :               0.00002921942059
                3p
                   -1 :               0.00018535661968
                   +0 :              -0.00004756493812
                   +1 :              -0.00003754818059
                4p
                   -1 :              -0.00002991340240
                   +0 :              -0.00000140121224
                   +1 :               0.00001585401105
                3d
                   -2 :              -0.00006354212125
                   -1 :               0.00001920752826
                   +0 :              -0.00000661841774
                   +1 :              -0.00004778479824
                   +2 :               0.00002612541107
              8 vec=   -10.163745      5.868041     -9.762967   |vec|=   15.266013
                2s
                   +0 :               0.00009465199568
                2p
                   -1 :               0.00003866155392
                   +0 :              -0.00005347248270
                   +1 :              -0.00002011730532
                3s
                   +0 :              -0.00041220469124
                4s
                   +0 :               0.00008408785606
                3p
                   -1 :              -0.00027303692531
                   +0 :               0.00029220617443
                   +1 :               0.00018150176394
                4p
                   -1 :               0.00010037354802
                   +0 :              -0.00004381982854
                   +1 :               0.00000117054370
                3d
                   -2 :               0.00007343286291
                   -1 :               0.00008042856226
                   +0 :              -0.00000764897654
                   +1 :              -0.00012433112971
                   +2 :               0.00001005012455
              9 vec=     5.396580     -3.115717     14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00000575434695
                2p
                   -1 :              -0.00000569481077
                   +0 :               0.00000784621824
                   +1 :              -0.00003360071897
                3s
                   +0 :              -0.00006055194083
                4s
                   +0 :              -0.00000145808329
                3p
                   -1 :              -0.00000855095833
                   +0 :              -0.00006611732644
                   +1 :               0.00016245619142
                4p
                   -1 :               0.00001981702039
                   +0 :              -0.00000172257353
                   +1 :              -0.00003588219749
                3d
                   -2 :              -0.00002727931586
                   -1 :               0.00001741647623
                   +0 :              -0.00002424412904
                   +1 :               0.00001853067827
                   +2 :              -0.00000662012991
             10 vec=     5.396580    -12.099475     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00002321971090
                2p
                   -1 :               0.00001447988398
                   +0 :              -0.00000932693055
                   +1 :               0.00000450399975
                3s
                   +0 :              -0.00025650243021
                4s
                   +0 :               0.00008833736738
                3p
                   -1 :               0.00006043960481
                   +0 :               0.00011775312307
                   +1 :              -0.00005087861887
                4p
                   -1 :              -0.00002292014477
                   +0 :              -0.00004933509649
                   +1 :               0.00003637593330
                3d
                   -2 :              -0.00003857411899
                   -1 :              -0.00001479726059
                   +0 :               0.00001572193949
                   +1 :              -0.00002019010061
                   +2 :               0.00002218890762
             11 vec=    13.176743      1.376162     -9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00004174945124
                2p
                   -1 :              -0.00001540279764
                   +0 :              -0.00000609256154
                   +1 :               0.00001018444816
                3s
                   +0 :               0.00011182990101
                4s
                   +0 :              -0.00002059207046
                3p
                   -1 :               0.00008258008931
                   +0 :               0.00008457593051
                   +1 :              -0.00003900366244
                4p
                   -1 :              -0.00003507879345
                   +0 :              -0.00002047451004
                   +1 :               0.00002831316423
                3d
                   -2 :               0.00007073081172
                   -1 :              -0.00000606517908
                   +0 :              -0.00004013471584
                   +1 :               0.00002698398061
                   +2 :              -0.00002585342804
             12 vec=    -2.383582     -7.607596     14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00004884580976
                2p
                   -1 :              -0.00001068694306
                   +0 :               0.00000281065621
                   +1 :               0.00004327950602
                3s
                   +0 :              -0.00018967504782
                4s
                   +0 :               0.00004343461660
                3p
                   -1 :               0.00002674262285
                   +0 :               0.00000879469752
                   +1 :              -0.00010855249657
                4p
                   -1 :              -0.00000192484402
                   +0 :               0.00000355151065
                   +1 :               0.00003099316386
                3d
                   -2 :              -0.00002118803481
                   -1 :              -0.00001038946176
                   +0 :               0.00005934158590
                   +1 :              -0.00000855360797
                   +2 :              -0.00004425108399
             13 vec=     5.396580      5.868041     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00005433097185
                2p
                   -1 :              -0.00004481000195
                   +0 :              -0.00003168306515
                   +1 :               0.00000869177444
                3s
                   +0 :               0.00021075091164
                4s
                   +0 :              -0.00007618736914
                3p
                   -1 :               0.00024813771676
                   +0 :               0.00015758350510
                   +1 :              -0.00007802040037
                4p
                   -1 :              -0.00005180454105
                   +0 :              -0.00007105291032
                   +1 :               0.00001241812058
                3d
                   -2 :              -0.00000507154168
                   -1 :               0.00004226032932
                   +0 :               0.00000336177388
                   +1 :              -0.00003081711840
                   +2 :              -0.00000772301197
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 13)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00028833154946
                2s
                   +0 :               0.00283065248834
                3s
                   +0 :              -0.00051647129740
                2p
                   -1 :              -0.00035694525899
                   +0 :               0.00265855128347
                   +1 :              -0.00322319468901
                3p
                   -1 :               0.00019319320455
                   +0 :              -0.00075528257631
                   +1 :               0.00093782707175
                3d
                   -2 :               0.00005174930084
                   -1 :               0.00007799151419
                   +0 :               0.00001351705870
                   +1 :              -0.00008314014154
                   +2 :               0.00006295685790
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00005444582722
                2s
                   +0 :              -0.00073159109868
                3s
                   +0 :               0.00000456896974
                2p
                   -1 :               0.00110929557913
                   +0 :              -0.00146049370469
                   +1 :              -0.00019950178780
                3p
                   -1 :              -0.00020242937644
                   +0 :               0.00051913017147
                   +1 :               0.00016441523903
                3d
                   -2 :              -0.00000481083171
                   -1 :               0.00003585170366
                   +0 :               0.00006592949030
                   +1 :              -0.00002527634477
                   +2 :              -0.00002028326687
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00006407786458
                2s
                   +0 :              -0.00089590471254
                3s
                   +0 :              -0.00012214088910
                2p
                   -1 :              -0.00094423819163
                   +0 :               0.00012217738289
                   +1 :              -0.00124835747075
                3p
                   -1 :               0.00014908369552
                   +0 :              -0.00125969144956
                   +1 :               0.00009896493108
                3d
                   -2 :              -0.00003743976964
                   -1 :              -0.00005605224061
                   +0 :               0.00001707912347
                   +1 :              -0.00004911031550
                   +2 :               0.00003715382380
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00005049799133
                2s
                   +0 :              -0.00026087119289
                3s
                   +0 :               0.00005498479149
                2p
                   -1 :               0.00049487734257
                   +0 :              -0.00004245394168
                   +1 :               0.00014499324427
                3p
                   -1 :              -0.00048333693990
                   +0 :               0.00013577546267
                   +1 :               0.00002676185212
                3d
                   -2 :               0.00001361538069
                   -1 :               0.00000633080645
                   +0 :              -0.00000460577927
                   +1 :               0.00003989771396
                   +2 :              -0.00003782127220
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001304174175
                2s
                   +0 :               0.00004219729573
                3s
                   +0 :               0.00000318764863
                2p
                   -1 :              -0.00019861093020
                   +0 :               0.00024534497340
                   +1 :              -0.00004578239173
                3p
                   -1 :               0.00007137069009
                   +0 :              -0.00020389711712
                   +1 :               0.00004564660006
                3d
                   -2 :              -0.00001152245601
                   -1 :              -0.00002591600356
                   +0 :               0.00002451926513
                   +1 :              -0.00000488305910
                   +2 :               0.00000049314820
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00008003760897
                2s
                   +0 :              -0.00077161387472
                3s
                   +0 :               0.00026424519808
                2p
                   -1 :               0.00011890925087
                   +0 :              -0.00006588700012
                   +1 :              -0.00006859274212
                3p
                   -1 :               0.00001572675348
                   +0 :               0.00009826273470
                   +1 :               0.00015470986180
                3d
                   -2 :              -0.00000864807026
                   -1 :               0.00000659809327
                   +0 :              -0.00001647050136
                   +1 :               0.00004430848569
                   +2 :               0.00001763433120
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001318788855
                2s
                   +0 :               0.00008246981860
                3s
                   +0 :              -0.00002492549420
                2p
                   -1 :              -0.00017500128434
                   +0 :               0.00017525275455
                   +1 :              -0.00001643645519
                3p
                   -1 :               0.00016258984889
                   +0 :              -0.00010105027118
                   +1 :              -0.00000595836901
                3d
                   -2 :              -0.00001430939560
                   -1 :               0.00000656924592
                   +0 :              -0.00001311588690
                   +1 :               0.00001357688873
                   +2 :              -0.00001135674521
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001756911778
                2s
                   +0 :               0.00018624306123
                3s
                   +0 :              -0.00003221102163
                2p
                   -1 :               0.00011410269945
                   +0 :               0.00012119267258
                   +1 :              -0.00000599584317
                3p
                   -1 :              -0.00004210596503
                   +0 :              -0.00000734431826
                   +1 :               0.00004399893442
                3d
                   -2 :               0.00000264440360
                   -1 :               0.00000841422318
                   +0 :               0.00000147595266
                   +1 :               0.00000386139580
                   +2 :              -0.00000265494873
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00005135171692
                2s
                   +0 :              -0.00040876254988
                3s
                   +0 :               0.00011854425809
                2p
                   -1 :               0.00003935925152
                   +0 :              -0.00019603151933
                   +1 :               0.00047560397922
                3p
                   -1 :               0.00002465199772
                   +0 :               0.00010613745578
                   +1 :              -0.00026819091286
                3d
                   -2 :              -0.00000627617391
                   -1 :              -0.00000359084554
                   +0 :               0.00000096003896
                   +1 :              -0.00001004482332
                   +2 :               0.00001660173861
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00002945567406
                2s
                   +0 :              -0.00023365182576
                3s
                   +0 :               0.00006133586569
                2p
                   -1 :               0.00028424475166
                   +0 :              -0.00010738941370
                   +1 :              -0.00003311693304
                3p
                   -1 :              -0.00017908725122
                   +0 :               0.00007225546568
                   +1 :               0.00003448884971
                3d
                   -2 :               0.00000038911107
                   -1 :              -0.00000205722660
                   +0 :               0.00000342918512
                   +1 :              -0.00001743552502
                   +2 :              -0.00001147397710
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00002150432854
                2s
                   +0 :              -0.00013177142994
                3s
                   +0 :               0.00004460392543
                2p
                   -1 :               0.00000927694423
                   +0 :              -0.00001821274839
                   +1 :              -0.00014906257681
                3p
                   -1 :               0.00000748957364
                   +0 :              -0.00003483347877
                   +1 :               0.00010899344460
                3d
                   -2 :               0.00000138401786
                   -1 :               0.00001063848798
                   +0 :              -0.00000801826242
                   +1 :              -0.00001922881459
                   +2 :              -0.00000223871955
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00002054284002
                2s
                   +0 :               0.00015704830712
                3s
                   +0 :              -0.00011490639897
                2p
                   -1 :              -0.00009316261349
                   +0 :               0.00005468026924
                   +1 :               0.00014586054156
                3p
                   -1 :               0.00008445537345
                   +0 :              -0.00005500719575
                   +1 :              -0.00012286611577
                3d
                   -2 :               0.00002354125449
                   -1 :               0.00001789580794
                   +0 :              -0.00001311226864
                   +1 :              -0.00002654388172
                   +2 :              -0.00000958477448
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00002016291323
                2s
                   +0 :              -0.00015076658197
                3s
                   +0 :               0.00006563479138
                2p
                   -1 :              -0.00000642672431
                   +0 :               0.00009622866436
                   +1 :              -0.00010157893553
                3p
                   -1 :              -0.00001329257109
                   +0 :              -0.00004225378349
                   +1 :               0.00006869758492
                3d
                   -2 :              -0.00000716226074
                   -1 :               0.00000178795535
                   +0 :              -0.00000317807728
                   +1 :              -0.00000166875817
                   +2 :              -0.00000043019381
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001662246454
                2s
                   +0 :              -0.00009983130017
                3s
                   +0 :               0.00004695676869
                2p
                   -1 :              -0.00005782072004
                   +0 :               0.00009120511564
                   +1 :               0.00003940044328
                3p
                   -1 :               0.00002632226324
                   +0 :              -0.00004147024608
                   +1 :               0.00000101070993
                3d
                   -2 :              -0.00000737130848
                   -1 :              -0.00000142015423
                   +0 :              -0.00000011156257
                   +1 :              -0.00000331007272
                   +2 :              -0.00000249667848
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001545213669
                2s
                   +0 :              -0.00006148098854
                3s
                   +0 :               0.00005549427096
                2p
                   -1 :              -0.00010907256867
                   +0 :               0.00002270619200
                   +1 :              -0.00006983887532
                3p
                   -1 :               0.00005363588981
                   +0 :              -0.00006185896083
                   +1 :               0.00006634996669
                3d
                   -2 :              -0.00000248889379
                   -1 :               0.00000148070576
                   +0 :              -0.00000009662864
                   +1 :              -0.00000368494890
                   +2 :               0.00000418192042
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 14)  npairs=  14
              1 vec=     0.419351     -0.000150      8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00031950702434
                2s
                   +0 :              -0.00198250672649
                3s
                   +0 :               0.00065495162002
                2p
                   -1 :              -0.00252123057920
                   +0 :              -0.00092059236441
                   +1 :              -0.00050889401841
                3p
                   -1 :               0.00105993650296
                   +0 :               0.00032341803940
                   +1 :               0.00012717287227
                3d
                   -2 :              -0.00001612198150
                   -1 :              -0.00000138344760
                   +0 :              -0.00003523614084
                   +1 :              -0.00001428912643
                   +2 :              -0.00012903131737
              2 vec=    -7.360812      4.491729      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00009727035809
                2s
                   +0 :              -0.00036809074287
                3s
                   +0 :               0.00019934283951
                2p
                   -1 :               0.00019244061500
                   +0 :               0.00005511159295
                   +1 :              -0.00127595581170
                3p
                   -1 :              -0.00031249855507
                   +0 :              -0.00016947631453
                   +1 :               0.00102810449691
                3d
                   -2 :               0.00007626378413
                   -1 :              -0.00005285500710
                   +0 :              -0.00001566847832
                   +1 :               0.00003195530829
                   +2 :              -0.00000112947076
              3 vec=    -7.360812     -4.492029      8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00006216242273
                2s
                   +0 :               0.00050073684246
                3s
                   +0 :              -0.00034451437674
                2p
                   -1 :               0.00038726953076
                   +0 :               0.00027640610572
                   +1 :               0.00012696009761
                3p
                   -1 :              -0.00008689253296
                   +0 :              -0.00024803646508
                   +1 :               0.00020664884600
                3d
                   -2 :              -0.00006297014226
                   -1 :               0.00008196530859
                   +0 :               0.00006806144212
                   +1 :               0.00004947392726
                   +2 :              -0.00000066010375
              4 vec=     0.419351      8.983608      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00006009120476
                2s
                   +0 :               0.00093961585742
                3s
                   +0 :              -0.00015002569632
                2p
                   -1 :               0.00056470265393
                   +0 :               0.00076216439427
                   +1 :               0.00027055075846
                3p
                   -1 :              -0.00016206215108
                   +0 :              -0.00015783145617
                   +1 :              -0.00014279776405
                3d
                   -2 :              -0.00002678828324
                   -1 :              -0.00002867326649
                   +0 :               0.00001092363698
                   +1 :              -0.00000883920507
                   +2 :               0.00000027646339
              5 vec=     0.419351     -8.983908      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00006469164433
                2s
                   +0 :              -0.00013726357819
                3s
                   +0 :              -0.00017088981010
                2p
                   -1 :               0.00022370251487
                   +0 :              -0.00053171337719
                   +1 :              -0.00046400744729
                3p
                   -1 :              -0.00000102444199
                   +0 :               0.00043056620556
                   +1 :               0.00052495187147
                3d
                   -2 :              -0.00003733986541
                   -1 :               0.00005045087431
                   +0 :              -0.00004734739744
                   +1 :               0.00003031747424
                   +2 :               0.00004299243615
              6 vec=     8.199513      4.491729      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00006677463012
                2s
                   +0 :               0.00049945347033
                3s
                   +0 :              -0.00018178057587
                2p
                   -1 :               0.00021103433649
                   +0 :               0.00025413632601
                   +1 :               0.00109830388722
                3p
                   -1 :              -0.00023660232508
                   +0 :              -0.00019896129899
                   +1 :              -0.00076541006779
                3d
                   -2 :              -0.00003542067016
                   -1 :              -0.00003323325151
                   +0 :              -0.00001002571243
                   +1 :              -0.00002192497148
                   +2 :              -0.00002500918648
              7 vec=     8.199513     -4.492029      8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00003871372760
                2s
                   +0 :              -0.00049756215261
                3s
                   +0 :               0.00012280894796
                2p
                   -1 :              -0.00013655902101
                   +0 :              -0.00034265659634
                   +1 :              -0.00061579052534
                3p
                   -1 :               0.00000396276770
                   +0 :               0.00011088692828
                   +1 :               0.00032464569709
                3d
                   -2 :              -0.00000244276501
                   -1 :              -0.00000810247624
                   +0 :              -0.00002409205459
                   +1 :              -0.00001599317547
                   +2 :               0.00002646198002
              8 vec=     0.419351     -0.000150    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00001297032551
                2s
                   +0 :              -0.00006147728727
                3s
                   +0 :               0.00004487035132
                2p
                   -1 :               0.00000471673184
                   +0 :              -0.00000727705632
                   +1 :               0.00009796769941
                3p
                   -1 :              -0.00003114442039
                   +0 :              -0.00000910252158
                   +1 :              -0.00008208726605
                3d
                   -2 :               0.00000216902831
                   -1 :               0.00000257046311
                   +0 :              -0.00000029612254
                   +1 :               0.00000646099120
                   +2 :               0.00000690583537
              9 vec=   -15.140975     -0.000150      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00003313162050
                2s
                   +0 :              -0.00031122816559
                3s
                   +0 :               0.00013696625383
                2p
                   -1 :               0.00008997994037
                   +0 :              -0.00022799571562
                   +1 :               0.00027949096282
                3p
                   -1 :              -0.00005518223988
                   +0 :               0.00013325750536
                   +1 :              -0.00018177953164
                3d
                   -2 :               0.00002019451526
                   -1 :              -0.00001072928588
                   +0 :               0.00000196406312
                   +1 :              -0.00002349936487
                   +2 :               0.00000726575922
             10 vec=    -7.360812     13.475487      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00000711080586
                2s
                   +0 :               0.00012403570384
                3s
                   +0 :              -0.00000776374253
                2p
                   -1 :              -0.00000038667274
                   +0 :               0.00010737252207
                   +1 :              -0.00004493120773
                3p
                   -1 :               0.00001847363666
                   +0 :              -0.00000162946293
                   +1 :              -0.00003078875560
                3d
                   -2 :              -0.00000523501688
                   -1 :              -0.00000049585898
                   +0 :               0.00000338570802
                   +1 :               0.00000072693538
                   +2 :               0.00000374832403
             11 vec=    -7.360812    -13.475787      8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00001542107391
                2s
                   +0 :              -0.00009194351316
                3s
                   +0 :               0.00002318854034
                2p
                   -1 :               0.00002564657764
                   +0 :               0.00014398299428
                   +1 :               0.00005592532565
                3p
                   -1 :              -0.00002136564868
                   +0 :              -0.00011991898848
                   +1 :              -0.00006285289750
                3d
                   -2 :               0.00000593565299
                   -1 :               0.00001138972820
                   +0 :              -0.00000938040042
                   +1 :               0.00001014913731
                   +2 :               0.00000685723740
             12 vec=     8.199513     13.475487      8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000148733809
                2s
                   +0 :               0.00003830916756
                3s
                   +0 :               0.00001896423541
                2p
                   -1 :               0.00002928449380
                   +0 :               0.00010744414735
                   +1 :               0.00006825723494
                3p
                   -1 :              -0.00001247665881
                   +0 :              -0.00003499894837
                   +1 :              -0.00003170146131
                3d
                   -2 :              -0.00000281120945
                   -1 :              -0.00000192381871
                   +0 :               0.00000415336588
                   +1 :               0.00000351841785
                   +2 :               0.00000307382525
             13 vec=     8.199513    -13.475787      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000064327676
                2s
                   +0 :              -0.00003029130327
                3s
                   +0 :              -0.00000109350436
                2p
                   -1 :              -0.00002947883889
                   +0 :              -0.00007000569975
                   +1 :               0.00008688601980
                3p
                   -1 :               0.00004590422226
                   +0 :               0.00002806632140
                   +1 :              -0.00007902218686
                3d
                   -2 :               0.00000591660404
                   -1 :              -0.00000244104465
                   +0 :              -0.00000652079577
                   +1 :               0.00000087819197
                   +2 :               0.00000500270105
             14 vec=    15.979676     -0.000150      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000524264674
                2s
                   +0 :               0.00003270160350
                3s
                   +0 :              -0.00001521949654
                2p
                   -1 :              -0.00003187101557
                   +0 :              -0.00004257843061
                   +1 :              -0.00002918455685
                3p
                   -1 :               0.00002524845942
                   +0 :               0.00004457244081
                   +1 :               0.00001002364868
                3d
                   -2 :               0.00000114452584
                   -1 :               0.00000124984168
                   +0 :               0.00000207845370
                   +1 :               0.00000158829758
                   +2 :              -0.00000063278796
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 15)  npairs=  15
              1 vec=    -4.976970     -0.363094      8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00001202600718
                2s
                   +0 :              -0.00077081898356
                3s
                   +0 :              -0.00030476778818
                2p
                   -1 :              -0.00203096027725
                   +0 :               0.00060262977790
                   +1 :               0.00205386182527
                3p
                   -1 :               0.00119842014324
                   +0 :              -0.00171956144839
                   +1 :              -0.00079440456407
                3d
                   -2 :               0.00000826098992
                   -1 :               0.00011491786499
                   +0 :              -0.00001133021487
                   +1 :               0.00000895525615
                   +2 :              -0.00006359872305
              2 vec=     2.803193      4.128785      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00045952272906
                2s
                   +0 :               0.00445504303446
                3s
                   +0 :              -0.00133304465329
                2p
                   -1 :               0.00002034797274
                   +0 :               0.00432438992533
                   +1 :               0.00239161289314
                3p
                   -1 :              -0.00046572926925
                   +0 :              -0.00118841790002
                   +1 :               0.00003920393506
                3d
                   -2 :               0.00007937099893
                   -1 :              -0.00024792794247
                   +0 :               0.00006046234977
                   +1 :               0.00019532675461
                   +2 :               0.00025307967329
              3 vec=     2.803193     -4.854973      8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00013180996385
                2s
                   +0 :              -0.00097012882043
                3s
                   +0 :               0.00011911350292
                2p
                   -1 :               0.00062391534775
                   +0 :              -0.00053670388955
                   +1 :               0.00067110946561
                3p
                   -1 :              -0.00002864967852
                   +0 :              -0.00039611136867
                   +1 :              -0.00052779273443
                3d
                   -2 :              -0.00004886731046
                   -1 :               0.00005951904114
                   +0 :               0.00003495567808
                   +1 :               0.00008986658285
                   +2 :               0.00000526965138
              4 vec=    -4.976970      8.620664      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00003048811568
                2s
                   +0 :               0.00037230467256
                3s
                   +0 :               0.00002369887371
                2p
                   -1 :               0.00006770203349
                   +0 :              -0.00009531607321
                   +1 :               0.00023899204630
                3p
                   -1 :               0.00002474253092
                   +0 :               0.00019215001268
                   +1 :              -0.00022950831554
                3d
                   -2 :              -0.00001504444751
                   -1 :               0.00003672740271
                   +0 :               0.00004181708178
                   +1 :              -0.00001355671759
                   +2 :              -0.00001106987236
              5 vec=    -4.976970     -9.346852      8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00005660187740
                2s
                   +0 :              -0.00069346197987
                3s
                   +0 :               0.00011897963752
                2p
                   -1 :               0.00008132870000
                   +0 :              -0.00004782868298
                   +1 :              -0.00025797336073
                3p
                   -1 :               0.00021227969429
                   +0 :              -0.00012389509388
                   +1 :               0.00028777231470
                3d
                   -2 :               0.00003021409835
                   -1 :              -0.00001014182845
                   +0 :               0.00001249527381
                   +1 :               0.00002216131577
                   +2 :               0.00001326644917
              6 vec=    10.583355     -0.363094      8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00002041897014
                2s
                   +0 :              -0.00013769375180
                3s
                   +0 :               0.00002335853122
                2p
                   -1 :               0.00025311449881
                   +0 :              -0.00008950927764
                   +1 :              -0.00020703022402
                3p
                   -1 :              -0.00024595134446
                   +0 :               0.00013700206088
                   +1 :               0.00009162405993
                3d
                   -2 :              -0.00000233775204
                   -1 :               0.00002239966568
                   +0 :              -0.00000255145419
                   +1 :              -0.00001061093912
                   +2 :              -0.00001714713381
              7 vec=   -12.757133      4.128785      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00001399094615
                2s
                   +0 :              -0.00005636275817
                3s
                   +0 :               0.00005323065927
                2p
                   -1 :              -0.00017998148236
                   +0 :               0.00002166678248
                   +1 :               0.00006735673657
                3p
                   -1 :               0.00016510810826
                   +0 :               0.00001716345975
                   +1 :              -0.00008887659289
                3d
                   -2 :               0.00000503954449
                   -1 :              -0.00000304535909
                   +0 :               0.00000369382447
                   +1 :              -0.00000504340153
                   +2 :               0.00000457540417
              8 vec=     2.803193     13.112543      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00002210661856
                2s
                   +0 :              -0.00016446261079
                3s
                   +0 :               0.00010959522428
                2p
                   -1 :              -0.00025896692760
                   +0 :              -0.00012864060319
                   +1 :               0.00013843271634
                3p
                   -1 :               0.00017511297654
                   +0 :               0.00002816495327
                   +1 :              -0.00007625185090
                3d
                   -2 :              -0.00000217454738
                   -1 :               0.00001186701368
                   +0 :               0.00000224182192
                   +1 :              -0.00001218059586
                   +2 :              -0.00000818291055
              9 vec=   -12.757133     -4.854973      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00000876898863
                2s
                   +0 :               0.00003443624480
                3s
                   +0 :              -0.00003471060984
                2p
                   -1 :              -0.00001305579129
                   +0 :               0.00001494171339
                   +1 :               0.00002366656195
                3p
                   -1 :              -0.00000088835708
                   +0 :              -0.00002539104747
                   +1 :              -0.00001130146573
                3d
                   -2 :               0.00000165603287
                   -1 :              -0.00000018157898
                   +0 :               0.00000137954233
                   +1 :               0.00000606029762
                   +2 :               0.00000495267558
             10 vec=    10.583355      8.620664      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00003863132911
                2s
                   +0 :              -0.00021270370495
                3s
                   +0 :               0.00015497720371
                2p
                   -1 :               0.00002328204610
                   +0 :               0.00001189095966
                   +1 :              -0.00003156379674
                3p
                   -1 :               0.00003086186810
                   +0 :               0.00005083788326
                   +1 :               0.00000557340470
                3d
                   -2 :              -0.00000501463049
                   -1 :               0.00001331040439
                   +0 :               0.00000748472121
                   +1 :              -0.00000544650830
                   +2 :              -0.00001609898460
             11 vec=     2.803193    -13.838731      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00001701874152
                2s
                   +0 :               0.00002876367680
                3s
                   +0 :              -0.00009108865158
                2p
                   -1 :               0.00013394566755
                   +0 :               0.00017758741110
                   +1 :               0.00028541533051
                3p
                   -1 :              -0.00002069418597
                   +0 :              -0.00021482910787
                   +1 :              -0.00027104577963
                3d
                   -2 :               0.00001378795482
                   -1 :               0.00000828357395
                   +0 :              -0.00000007374271
                   +1 :              -0.00000095328965
                   +2 :              -0.00000737330089
             12 vec=    10.583355     -9.346852      8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00000105632973
                2s
                   +0 :              -0.00006963399095
                3s
                   +0 :               0.00001332161968
                2p
                   -1 :              -0.00006730951939
                   +0 :              -0.00005345331122
                   +1 :              -0.00010595053907
                3p
                   -1 :               0.00007436078055
                   +0 :              -0.00000382470212
                   +1 :               0.00003050486014
                3d
                   -2 :               0.00000115244861
                   -1 :              -0.00000503114882
                   +0 :               0.00000221603956
                   +1 :               0.00000295656674
                   +2 :              -0.00000190844114
             13 vec=    -4.976970     -0.363094    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00000179152016
                2s
                   +0 :               0.00000638990591
                3s
                   +0 :               0.00001023645802
                2p
                   -1 :              -0.00009088155941
                   +0 :              -0.00007957084748
                   +1 :              -0.00001055475433
                3p
                   -1 :               0.00004152901997
                   +0 :               0.00000789790310
                   +1 :               0.00000077540707
                3d
                   -2 :              -0.00000381400631
                   -1 :              -0.00000444432642
                   +0 :              -0.00000144265077
                   +1 :              -0.00000137980941
                   +2 :              -0.00000329593176
             14 vec=     2.803193      4.128785    -16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00001072165482
                2s
                   +0 :               0.00005409629699
                3s
                   +0 :              -0.00004015002997
                2p
                   -1 :              -0.00006678568081
                   +0 :              -0.00006796695517
                   +1 :               0.00001295985183
                3p
                   -1 :               0.00003479769743
                   +0 :               0.00004373777688
                   +1 :              -0.00001234617172
                3d
                   -2 :              -0.00000249978676
                   -1 :               0.00000288762701
                   +0 :              -0.00001050324834
                   +1 :              -0.00000121740031
                   +2 :              -0.00000254562481
             15 vec=     2.803193     -4.854973    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00001101073301
                2s
                   +0 :              -0.00008279086119
                3s
                   +0 :               0.00001850017173
                2p
                   -1 :              -0.00004570588005
                   +0 :               0.00001804765525
                   +1 :              -0.00007093783449
                3p
                   -1 :               0.00000952764424
                   +0 :               0.00003761916149
                   +1 :               0.00002201389542
                3d
                   -2 :               0.00000260325578
                   -1 :               0.00000051658148
                   +0 :              -0.00000592687946
                   +1 :               0.00000335839286
                   +2 :              -0.00000674139246
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 16)  npairs=  14
              1 vec=     0.419351      2.752474     -4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00170545044506
                2s
                   +0 :               0.05119474211527
                3s
                   +0 :              -0.00337622844026
                2p
                   -1 :               0.01008585449128
                   +0 :              -0.03524131116574
                   +1 :               0.00280131253279
                3p
                   -1 :              -0.00017738827268
                   +0 :               0.00587146477156
                   +1 :              -0.00202243253777
                3d
                   -2 :               0.00015705150677
                   -1 :              -0.00046277574508
                   +0 :               0.00148768285243
                   +1 :               0.00030310707869
                   +2 :              -0.00066850245541
              2 vec=     0.419351     -6.231284     -4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00001987148097
                2s
                   +0 :              -0.00029492667000
                3s
                   +0 :               0.00005348729633
                2p
                   -1 :               0.00476039551549
                   +0 :              -0.00341860330173
                   +1 :               0.00310735375870
                3p
                   -1 :              -0.00227070641780
                   +0 :               0.00448146850147
                   +1 :              -0.00313427193016
                3d
                   -2 :              -0.00002194628925
                   -1 :               0.00036983926173
                   +0 :              -0.00039531122782
                   +1 :              -0.00013032962421
                   +2 :              -0.00033189136627
              3 vec=    -7.360812     -1.739405     -4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00022257793249
                2s
                   +0 :               0.00168866167208
                3s
                   +0 :              -0.00103975233292
                2p
                   -1 :              -0.00105297749166
                   +0 :              -0.00503423142866
                   +1 :              -0.00015325710283
                3p
                   -1 :               0.00057684474544
                   +0 :               0.00281544018883
                   +1 :               0.00068824400391
                3d
                   -2 :              -0.00010003099661
                   -1 :               0.00002387997624
                   +0 :               0.00009476625658
                   +1 :              -0.00028658749420
                   +2 :              -0.00007660442906
              4 vec=     8.199513     -1.739405     -4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00011200940731
                2s
                   +0 :               0.00057849658545
                3s
                   +0 :              -0.00048289950343
                2p
                   -1 :              -0.00185904382724
                   +0 :               0.00019668551912
                   +1 :               0.00089949994062
                3p
                   -1 :               0.00169360856440
                   +0 :              -0.00061990749514
                   +1 :              -0.00127149141958
                3d
                   -2 :               0.00012177819309
                   -1 :              -0.00001494390154
                   +0 :               0.00007998575438
                   +1 :              -0.00003783346667
                   +2 :              -0.00007975787896
              5 vec=    -7.360812      7.244353     -4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00018412121916
                2s
                   +0 :              -0.00065424319734
                3s
                   +0 :               0.00059962822452
                2p
                   -1 :              -0.00011040783144
                   +0 :              -0.00058014788129
                   +1 :               0.00033602896381
                3p
                   -1 :               0.00019861523251
                   +0 :               0.00004439984839
                   +1 :              -0.00073780511921
                3d
                   -2 :              -0.00003160682650
                   -1 :               0.00000386179530
                   +0 :               0.00000318563888
                   +1 :               0.00000380210748
                   +2 :               0.00003479837181
              6 vec=     8.199513      7.244353     -4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00008556817773
                2s
                   +0 :              -0.00026268035005
                3s
                   +0 :               0.00017849933950
                2p
                   -1 :               0.00022410518662
                   +0 :               0.00024892949401
                   +1 :              -0.00066665853983
                3p
                   -1 :              -0.00021292624758
                   +0 :              -0.00023210551049
                   +1 :               0.00081511645198
                3d
                   -2 :               0.00004089533483
                   -1 :               0.00000444507238
                   +0 :              -0.00007410152138
                   +1 :               0.00003607980941
                   +2 :               0.00001728971141
              7 vec=     0.419351     11.736232     -4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00000560641038
                2s
                   +0 :               0.00052607198781
                3s
                   +0 :               0.00005405110352
                2p
                   -1 :               0.00074577293298
                   +0 :              -0.00057990105428
                   +1 :              -0.00011608866015
                3p
                   -1 :              -0.00049720538399
                   +0 :               0.00051145028698
                   +1 :               0.00010972946756
                3d
                   -2 :               0.00000106914254
                   -1 :               0.00008290106517
                   +0 :              -0.00002697247874
                   +1 :               0.00000398687700
                   +2 :               0.00000436685194
              8 vec=    -7.360812    -10.723163     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00003259313539
                2s
                   +0 :              -0.00021055608173
                3s
                   +0 :              -0.00018735378026
                2p
                   -1 :              -0.00015021153656
                   +0 :               0.00056024578341
                   +1 :              -0.00008732051554
                3p
                   -1 :               0.00013748898165
                   +0 :              -0.00009273385437
                   +1 :               0.00028668597388
                3d
                   -2 :              -0.00001008865846
                   -1 :               0.00000528695303
                   +0 :              -0.00000903010102
                   +1 :              -0.00003018779199
                   +2 :              -0.00000936373711
              9 vec=     8.199513    -10.723163     -4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00006437372778
                2s
                   +0 :              -0.00059678200175
                3s
                   +0 :               0.00015485087391
                2p
                   -1 :               0.00007859995868
                   +0 :               0.00026337492459
                   +1 :              -0.00048584871431
                3p
                   -1 :              -0.00007768050380
                   +0 :              -0.00007393297606
                   +1 :               0.00030731365898
                3d
                   -2 :              -0.00003748305274
                   -1 :              -0.00000023436409
                   +0 :              -0.00001143543455
                   +1 :              -0.00001717308637
                   +2 :              -0.00000100347814
             10 vec=     0.419351    -15.215042     -4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000387302238
                2s
                   +0 :              -0.00006431312928
                3s
                   +0 :              -0.00000261670510
                2p
                   -1 :               0.00004062958106
                   +0 :               0.00009758265053
                   +1 :               0.00014282508655
                3p
                   -1 :              -0.00001045354757
                   +0 :              -0.00001235208935
                   +1 :              -0.00012738037663
                3d
                   -2 :               0.00000592732774
                   -1 :               0.00000524056169
                   +0 :              -0.00000196770106
                   +1 :               0.00000987756065
                   +2 :               0.00001240068283
             11 vec=   -15.140975      2.752474     -4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00002185633772
                2s
                   +0 :               0.00010119331820
                3s
                   +0 :              -0.00005218577446
                2p
                   -1 :              -0.00007616628918
                   +0 :              -0.00012359923902
                   +1 :               0.00003179578161
                3p
                   -1 :               0.00002850944577
                   +0 :               0.00008007261527
                   +1 :              -0.00003496429968
                3d
                   -2 :              -0.00000686737318
                   -1 :               0.00000598700801
                   +0 :              -0.00000148381262
                   +1 :              -0.00001340349731
                   +2 :               0.00000092848761
             12 vec=    15.979676      2.752474     -4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00001459547217
                2s
                   +0 :              -0.00009028662844
                3s
                   +0 :               0.00004436089164
                2p
                   -1 :              -0.00017995714151
                   +0 :              -0.00002258024411
                   +1 :               0.00005741050463
                3p
                   -1 :               0.00013579127676
                   +0 :               0.00000316612051
                   +1 :              -0.00005849061309
                3d
                   -2 :               0.00000187158159
                   -1 :               0.00000272070830
                   +0 :               0.00000400933712
                   +1 :               0.00000240824811
                   +2 :              -0.00000762756907
             13 vec=   -15.140975     -6.231284     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00001070921501
                2s
                   +0 :              -0.00008147607094
                3s
                   +0 :               0.00003585971781
                2p
                   -1 :              -0.00004105462418
                   +0 :               0.00002351922813
                   +1 :               0.00016316188191
                3p
                   -1 :               0.00004819587956
                   +0 :              -0.00000276852918
                   +1 :              -0.00012721119776
                3d
                   -2 :              -0.00000493282830
                   -1 :              -0.00000101122506
                   +0 :              -0.00000235644533
                   +1 :              -0.00000397620603
                   +2 :               0.00000122581262
             14 vec=    15.979676     -6.231284     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00001134371695
                2s
                   +0 :              -0.00008897322021
                3s
                   +0 :               0.00002731791887
                2p
                   -1 :               0.00010259877753
                   +0 :               0.00004402330639
                   +1 :              -0.00007385477824
                3p
                   -1 :              -0.00008133511791
                   +0 :              -0.00001876783706
                   +1 :               0.00004345131721
                3d
                   -2 :              -0.00000948128747
                   -1 :              -0.00000316173690
                   +0 :              -0.00000288449879
                   +1 :              -0.00000167321003
                   +2 :               0.00000359216000
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 17)  npairs=  14
              1 vec=    -2.593128     -1.739405     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00298314612391
                2s
                   +0 :              -0.03450625585021
                3s
                   +0 :               0.00619061409814
                2p
                   -1 :               0.00228947840497
                   +0 :               0.01219654332610
                   +1 :               0.01074421743980
                3p
                   -1 :              -0.00296523262940
                   +0 :               0.00225566225175
                   +1 :              -0.00051934816362
                3d
                   -2 :               0.00017153381832
                   -1 :               0.00082072741750
                   +0 :              -0.00144482690089
                   +1 :              -0.00167390463291
                   +2 :              -0.00079269681490
              2 vec=     5.187034      2.752474     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00064420437027
                2s
                   +0 :               0.00449535573300
                3s
                   +0 :              -0.00277450662381
                2p
                   -1 :               0.00379165587058
                   +0 :              -0.00596775166874
                   +1 :               0.00254129499825
                3p
                   -1 :              -0.00323829222524
                   +0 :               0.00432302805401
                   +1 :              -0.00183401439324
                3d
                   -2 :              -0.00006545939776
                   -1 :               0.00047811817223
                   +0 :              -0.00030239166265
                   +1 :               0.00052417883883
                   +2 :               0.00003361459078
              3 vec=    -2.593128      7.244353     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00009130733369
                2s
                   +0 :               0.00049893498953
                3s
                   +0 :               0.00001708573640
                2p
                   -1 :               0.00174347052386
                   +0 :              -0.00330875122229
                   +1 :              -0.00065668603720
                3p
                   -1 :              -0.00075795103647
                   +0 :               0.00064183785174
                   +1 :               0.00113397171672
                3d
                   -2 :               0.00011615053324
                   -1 :               0.00003990527137
                   +0 :               0.00014130172346
                   +1 :              -0.00012314023034
                   +2 :               0.00013836975519
              4 vec=     5.187034     -6.231284     -4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00036911498520
                2s
                   +0 :              -0.00205530175423
                3s
                   +0 :               0.00071598042129
                2p
                   -1 :              -0.00131971013327
                   +0 :               0.00229865075412
                   +1 :              -0.00067341586553
                3p
                   -1 :               0.00098553858723
                   +0 :              -0.00014447710506
                   +1 :               0.00020659324141
                3d
                   -2 :               0.00016747589631
                   -1 :              -0.00015082996377
                   +0 :              -0.00001699249457
                   +1 :               0.00022524463802
                   +2 :               0.00000437198330
              5 vec=   -10.373291      2.752474     -4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00016017163052
                2s
                   +0 :              -0.00081042863500
                3s
                   +0 :               0.00037504464852
                2p
                   -1 :              -0.00042555477262
                   +0 :              -0.00054400614423
                   +1 :               0.00065467711343
                3p
                   -1 :               0.00018205219600
                   +0 :               0.00043283444792
                   +1 :              -0.00040626415188
                3d
                   -2 :               0.00002589756569
                   -1 :               0.00004347310077
                   +0 :               0.00007254077941
                   +1 :              -0.00005367050039
                   +2 :              -0.00000734052526
              6 vec=    -2.593128    -10.723163     -4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00000936224965
                2s
                   +0 :              -0.00015908309993
                3s
                   +0 :              -0.00011719823403
                2p
                   -1 :               0.00063973959768
                   +0 :               0.00058885385621
                   +1 :               0.00014615379773
                3p
                   -1 :              -0.00036175730908
                   +0 :              -0.00047779681067
                   +1 :              -0.00005654304804
                3d
                   -2 :              -0.00004105619002
                   -1 :               0.00001460972738
                   +0 :               0.00008509623657
                   +1 :               0.00002664370890
                   +2 :               0.00004052087458
              7 vec=   -10.373291     -6.231284     -4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00005976851808
                2s
                   +0 :              -0.00047201554880
                3s
                   +0 :               0.00018439706211
                2p
                   -1 :               0.00015788978147
                   +0 :              -0.00016150266694
                   +1 :              -0.00005292180586
                3p
                   -1 :              -0.00011253207931
                   +0 :               0.00015032055407
                   +1 :               0.00005084640577
                3d
                   -2 :              -0.00000677899955
                   -1 :              -0.00001479267107
                   +0 :              -0.00000835802093
                   +1 :               0.00000491825619
                   +2 :              -0.00000372064582
              8 vec=     5.187034     11.736232     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00001536828734
                2s
                   +0 :               0.00026700055723
                3s
                   +0 :               0.00015766189606
                2p
                   -1 :              -0.00022570869424
                   +0 :              -0.00017390762455
                   +1 :              -0.00017177856112
                3p
                   -1 :               0.00035356747313
                   +0 :              -0.00012334313275
                   +1 :               0.00012113630602
                3d
                   -2 :               0.00000611016758
                   -1 :              -0.00001238404869
                   +0 :               0.00003494646095
                   +1 :               0.00002129841291
                   +2 :              -0.00001621382664
              9 vec=    12.967197     -1.739405     -4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00011183629250
                2s
                   +0 :              -0.00081180916888
                3s
                   +0 :               0.00032803732858
                2p
                   -1 :              -0.00018027658404
                   +0 :               0.00016446465864
                   +1 :              -0.00027755399305
                3p
                   -1 :               0.00013953577147
                   +0 :              -0.00009502660056
                   +1 :               0.00009320672531
                3d
                   -2 :               0.00003588290311
                   -1 :               0.00000004424280
                   +0 :              -0.00000324977215
                   +1 :              -0.00000377080289
                   +2 :               0.00000536880241
             10 vec=    12.967197      7.244353     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00000932527022
                2s
                   +0 :               0.00006635974591
                3s
                   +0 :               0.00001193513736
                2p
                   -1 :              -0.00009865525026
                   +0 :              -0.00010352462858
                   +1 :               0.00007933586098
                3p
                   -1 :               0.00007323872190
                   +0 :               0.00006291135801
                   +1 :              -0.00000419455462
                3d
                   -2 :               0.00000523986315
                   -1 :               0.00000671565054
                   +0 :               0.00000821578516
                   +1 :               0.00000840867991
                   +2 :              -0.00000542181545
             11 vec=   -10.373291     11.736232     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00002485007557
                2s
                   +0 :               0.00018264930357
                3s
                   +0 :              -0.00003975075101
                2p
                   -1 :               0.00013429096246
                   +0 :               0.00011841648109
                   +1 :              -0.00018563206624
                3p
                   -1 :              -0.00005869504933
                   +0 :              -0.00014535536353
                   +1 :               0.00005154057510
                3d
                   -2 :               0.00000537370365
                   -1 :              -0.00001051075839
                   +0 :              -0.00000344404115
                   +1 :               0.00000711939821
                   +2 :              -0.00000413400387
             12 vec=     5.187034    -15.215042     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00001515354462
                2s
                   +0 :              -0.00016937193003
                3s
                   +0 :               0.00005586348029
                2p
                   -1 :              -0.00005265169336
                   +0 :              -0.00003247720377
                   +1 :              -0.00002246061516
                3p
                   -1 :               0.00012433798155
                   +0 :               0.00005865155231
                   +1 :              -0.00002452074591
                3d
                   -2 :               0.00002041840584
                   -1 :               0.00001203236093
                   +0 :               0.00000581959009
                   +1 :               0.00000051644080
                   +2 :               0.00000116640540
             13 vec=    -2.593128     16.228111     -4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00002323628100
                2s
                   +0 :               0.00014655540078
                3s
                   +0 :              -0.00004045248743
                2p
                   -1 :               0.00003472271313
                   +0 :               0.00005393559514
                   +1 :              -0.00004212563852
                3p
                   -1 :               0.00003568692507
                   +0 :              -0.00005813380010
                   +1 :               0.00002366290861
                3d
                   -2 :              -0.00000925976814
                   -1 :               0.00000082602668
                   +0 :               0.00000261831369
                   +1 :               0.00000180928363
                   +2 :              -0.00000528005531
             14 vec=    12.967197    -10.723163     -4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00000359342701
                2s
                   +0 :               0.00000452315497
                3s
                   +0 :              -0.00001594318505
                2p
                   -1 :              -0.00002672327910
                   +0 :               0.00001032095023
                   +1 :              -0.00003824121361
                3p
                   -1 :               0.00004908161216
                   +0 :              -0.00003045260226
                   +1 :               0.00000244232034
                3d
                   -2 :               0.00000108561153
                   -1 :              -0.00000189024778
                   +0 :               0.00000384672005
                   +1 :              -0.00000444243011
                   +2 :              -0.00000264802860
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 18)  npairs=  14
              1 vec=     2.803193     -1.376461     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00217282212974
                2s
                   +0 :              -0.02646316302816
                3s
                   +0 :               0.00541836144214
                2p
                   -1 :               0.00563880603613
                   +0 :               0.01140524308681
                   +1 :              -0.01402113831134
                3p
                   -1 :              -0.00791309228875
                   +0 :              -0.00061973207035
                   +1 :               0.00448242898362
                3d
                   -2 :              -0.00045529883005
                   -1 :               0.00130754313408
                   +0 :              -0.00050018058058
                   +1 :               0.00114132275264
                   +2 :              -0.00077212532420
              2 vec=    -4.976970      3.115418     -4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00037296260000
                2s
                   +0 :               0.00170938855386
                3s
                   +0 :              -0.00129305406628
                2p
                   -1 :               0.00533431270254
                   +0 :               0.00080446973829
                   +1 :              -0.00078950473673
                3p
                   -1 :              -0.00523670982376
                   +0 :              -0.00106729535153
                   +1 :               0.00057228988156
                3d
                   -2 :               0.00016436592627
                   -1 :               0.00006359209320
                   +0 :               0.00013432344531
                   +1 :              -0.00012161272913
                   +2 :              -0.00004653375513
              3 vec=    -4.976970     -5.868340     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00016319144426
                2s
                   +0 :               0.00147333083393
                3s
                   +0 :              -0.00066987048341
                2p
                   -1 :               0.00096408251957
                   +0 :               0.00110931678399
                   +1 :              -0.00030282243731
                3p
                   -1 :              -0.00090967569219
                   +0 :              -0.00037698730068
                   +1 :               0.00048869208009
                3d
                   -2 :               0.00008479797935
                   -1 :              -0.00000847057755
                   +0 :              -0.00005300390092
                   +1 :              -0.00009046214732
                   +2 :              -0.00013553086808
              4 vec=     2.803193      7.607297     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00019629895414
                2s
                   +0 :               0.00101103303045
                3s
                   +0 :              -0.00035983819940
                2p
                   -1 :               0.00171389443031
                   +0 :              -0.00269638107141
                   +1 :              -0.00008712245340
                3p
                   -1 :              -0.00100627726492
                   +0 :               0.00184753170968
                   +1 :              -0.00015024195166
                3d
                   -2 :              -0.00003611661041
                   -1 :               0.00006557596061
                   +0 :               0.00001535234220
                   +1 :               0.00000608896877
                   +2 :               0.00005797030554
              5 vec=     2.803193    -10.360219     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00009143012610
                2s
                   +0 :              -0.00102475244333
                3s
                   +0 :               0.00036224898812
                2p
                   -1 :               0.00138498737323
                   +0 :               0.00006341987682
                   +1 :              -0.00016873851298
                3p
                   -1 :              -0.00096808437881
                   +0 :               0.00015831005028
                   +1 :              -0.00007770243011
                3d
                   -2 :               0.00004346768932
                   -1 :              -0.00005808181682
                   +0 :              -0.00003591045953
                   +1 :               0.00010850662395
                   +2 :              -0.00006340779112
              6 vec=    10.583355      3.115418     -4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00000707034401
                2s
                   +0 :               0.00020852841511
                3s
                   +0 :              -0.00010336090656
                2p
                   -1 :               0.00012565220402
                   +0 :              -0.00085370003061
                   +1 :              -0.00019178978902
                3p
                   -1 :              -0.00028836667999
                   +0 :               0.00069472999305
                   +1 :               0.00011201601038
                3d
                   -2 :              -0.00000939615092
                   -1 :               0.00003104219907
                   +0 :               0.00009384546035
                   +1 :               0.00004417841931
                   +2 :               0.00001112960294
              7 vec=    10.583355     -5.868340     -4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00001557491556
                2s
                   +0 :              -0.00039342332055
                3s
                   +0 :               0.00001589291814
                2p
                   -1 :               0.00047795704862
                   +0 :               0.00041426608411
                   +1 :               0.00010460161840
                3p
                   -1 :              -0.00025606675562
                   +0 :              -0.00026379994786
                   +1 :              -0.00009556393069
                3d
                   -2 :               0.00002298987793
                   -1 :              -0.00002026748956
                   +0 :              -0.00000112932509
                   +1 :              -0.00001673264412
                   +2 :              -0.00002110649617
              8 vec=   -12.757133     -1.376461     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00005013799068
                2s
                   +0 :              -0.00041771857475
                3s
                   +0 :               0.00010452043665
                2p
                   -1 :              -0.00034606542664
                   +0 :               0.00011961961400
                   +1 :               0.00016844745724
                3p
                   -1 :               0.00029973785620
                   +0 :              -0.00005404255103
                   +1 :               0.00000411689315
                3d
                   -2 :              -0.00003410273812
                   -1 :               0.00002338958022
                   +0 :              -0.00002264334624
                   +1 :               0.00001074072804
                   +2 :              -0.00002064127241
              9 vec=    -4.976970     12.099176     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00000342088595
                2s
                   +0 :               0.00043602707711
                3s
                   +0 :               0.00009621609175
                2p
                   -1 :              -0.00024771255199
                   +0 :              -0.00026686346673
                   +1 :               0.00005031499159
                3p
                   -1 :               0.00039460104863
                   +0 :              -0.00007451838775
                   +1 :              -0.00004286368573
                3d
                   -2 :              -0.00000757105420
                   -1 :              -0.00001572146706
                   +0 :               0.00002102837198
                   +1 :              -0.00002091694240
                   +2 :              -0.00001011655531
             10 vec=   -12.757133      7.607297     -4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00002291318530
                2s
                   +0 :               0.00015516991889
                3s
                   +0 :              -0.00002953440493
                2p
                   -1 :               0.00008475136934
                   +0 :              -0.00007956146491
                   +1 :              -0.00018099100776
                3p
                   -1 :              -0.00007520076090
                   +0 :               0.00005240059488
                   +1 :               0.00007310455892
                3d
                   -2 :               0.00000731945429
                   -1 :              -0.00000473378743
                   +0 :               0.00001001299620
                   +1 :              -0.00000429426201
                   +2 :               0.00000327737992
             11 vec=    -4.976970    -14.852098     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00000100035772
                2s
                   +0 :              -0.00009655384675
                3s
                   +0 :               0.00000829514388
                2p
                   -1 :               0.00012934229796
                   +0 :               0.00008429557563
                   +1 :               0.00003325811423
                3p
                   -1 :              -0.00001507032587
                   +0 :              -0.00002936426003
                   +1 :              -0.00000027694537
                3d
                   -2 :              -0.00000240912423
                   -1 :               0.00000803877201
                   +0 :               0.00001695310522
                   +1 :               0.00000707383694
                   +2 :              -0.00000291317319
             12 vec=    10.583355     12.099176     -4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00003437506008
                2s
                   +0 :               0.00023387274403
                3s
                   +0 :              -0.00007456701512
                2p
                   -1 :               0.00005031891725
                   +0 :               0.00012472377568
                   +1 :               0.00013245822639
                3p
                   -1 :               0.00001716251285
                   +0 :              -0.00017113344884
                   +1 :              -0.00002976158133
                3d
                   -2 :              -0.00000174675947
                   -1 :              -0.00000147103267
                   +0 :              -0.00000126357689
                   +1 :              -0.00001229425553
                   +2 :               0.00000405709189
             13 vec=   -12.757133    -10.360219     -4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00001749010771
                2s
                   +0 :              -0.00012439333222
                3s
                   +0 :               0.00004468119333
                2p
                   -1 :               0.00007978883383
                   +0 :               0.00004120550815
                   +1 :               0.00003584871692
                3p
                   -1 :              -0.00005385376532
                   +0 :              -0.00001567494785
                   +1 :              -0.00000163825586
                3d
                   -2 :              -0.00000610207685
                   -1 :               0.00000198559281
                   +0 :              -0.00000721966937
                   +1 :              -0.00000153881682
                   +2 :              -0.00000116424634
             14 vec=     2.803193     16.591055     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00001794957552
                2s
                   +0 :               0.00014215723434
                3s
                   +0 :              -0.00003483826740
                2p
                   -1 :              -0.00005864826970
                   +0 :              -0.00000863179451
                   +1 :               0.00009693354533
                3p
                   -1 :               0.00012080328257
                   +0 :              -0.00002977602534
                   +1 :              -0.00006290962169
                3d
                   -2 :               0.00000665823662
                   -1 :              -0.00000093027776
                   +0 :               0.00000441169153
                   +1 :               0.00000159990781
                   +2 :              -0.00000650025952
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 19)  npairs=  15
              1 vec=    -5.186256     -0.000299     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00028938406297
                2s
                   +0 :              -0.00248596318564
                3s
                   +0 :               0.00054282352531
                2p
                   -1 :              -0.00370328611952
                   +0 :               0.00219473507379
                   +1 :               0.00157865665439
                3p
                   -1 :               0.00221519637971
                   +0 :              -0.00084408159995
                   +1 :              -0.00048308188430
                3d
                   -2 :               0.00002416290620
                   -1 :              -0.00009499393828
                   +0 :              -0.00007015588678
                   +1 :               0.00001678229833
                   +2 :               0.00004010599511
              2 vec=     2.593906      4.491580     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00014019701007
                2s
                   +0 :               0.00188698533626
                3s
                   +0 :               0.00017937612309
                2p
                   -1 :               0.00110221052033
                   +0 :              -0.00350548071674
                   +1 :               0.00173148499109
                3p
                   -1 :              -0.00003368223511
                   +0 :               0.00036769971533
                   +1 :               0.00021449518891
                3d
                   -2 :               0.00006317121650
                   -1 :              -0.00013353798072
                   +0 :               0.00005402342888
                   +1 :              -0.00017173132907
                   +2 :               0.00001760594102
              3 vec=     2.593906     -4.492178     -8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00004695353279
                2s
                   +0 :               0.00021816481612
                3s
                   +0 :              -0.00037076854741
                2p
                   -1 :              -0.00213590483453
                   +0 :               0.00068734667440
                   +1 :               0.00223446654518
                3p
                   -1 :               0.00193044187938
                   +0 :              -0.00050712303707
                   +1 :              -0.00142623071729
                3d
                   -2 :               0.00013191865529
                   -1 :              -0.00016631670048
                   +0 :               0.00009387096926
                   +1 :               0.00000818836062
                   +2 :               0.00002210869153
              4 vec=    -5.186256      8.983459     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00003295188571
                2s
                   +0 :               0.00062672184898
                3s
                   +0 :              -0.00001855707455
                2p
                   -1 :               0.00027876406908
                   +0 :               0.00001029724608
                   +1 :              -0.00047529399937
                3p
                   -1 :              -0.00007824295752
                   +0 :              -0.00013088046389
                   +1 :               0.00015451914039
                3d
                   -2 :              -0.00001257897207
                   -1 :              -0.00001405295274
                   +0 :               0.00004460427219
                   +1 :               0.00001879162743
                   +2 :               0.00000518147297
              5 vec=    -5.186256     -8.984057     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000884480741
                2s
                   +0 :              -0.00014706917735
                3s
                   +0 :               0.00003521174820
                2p
                   -1 :               0.00001340899660
                   +0 :              -0.00020047369580
                   +1 :               0.00037219238739
                3p
                   -1 :              -0.00004054736475
                   +0 :               0.00020506439203
                   +1 :              -0.00032820565825
                3d
                   -2 :               0.00002150554616
                   -1 :              -0.00000593696792
                   +0 :              -0.00002478280885
                   +1 :               0.00000465069781
                   +2 :              -0.00002070412025
              6 vec=    10.374069     -0.000299     -8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00000340577411
                2s
                   +0 :              -0.00004141239187
                3s
                   +0 :              -0.00003005528037
                2p
                   -1 :               0.00029809110672
                   +0 :               0.00001016746065
                   +1 :              -0.00022984141510
                3p
                   -1 :              -0.00026546496973
                   +0 :              -0.00012873393293
                   +1 :               0.00009088160198
                3d
                   -2 :              -0.00001837245597
                   -1 :               0.00001489503937
                   +0 :              -0.00001591976866
                   +1 :              -0.00000885883813
                   +2 :              -0.00002210787462
              7 vec=   -12.966419      4.491580     -8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00003176672397
                2s
                   +0 :              -0.00017837849641
                3s
                   +0 :               0.00010619566749
                2p
                   -1 :              -0.00000624744842
                   +0 :              -0.00005351686703
                   +1 :              -0.00004199764022
                3p
                   -1 :               0.00001392464042
                   +0 :               0.00005448872204
                   +1 :               0.00003120182527
                3d
                   -2 :               0.00000189327657
                   -1 :              -0.00000131324520
                   +0 :              -0.00000890505752
                   +1 :               0.00000325336674
                   +2 :               0.00000405771945
              8 vec=   -12.966419     -4.492178     -8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00002058358374
                2s
                   +0 :              -0.00014061861549
                3s
                   +0 :               0.00004860809943
                2p
                   -1 :              -0.00014518783712
                   +0 :               0.00006034416573
                   +1 :               0.00023431190698
                3p
                   -1 :               0.00012723293068
                   +0 :              -0.00005597186924
                   +1 :              -0.00018250980128
                3d
                   -2 :              -0.00000859914251
                   -1 :              -0.00000011595521
                   +0 :               0.00000026587116
                   +1 :              -0.00000366854008
                   +2 :               0.00000482618695
              9 vec=     2.593906     13.475338     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00002815240939
                2s
                   +0 :               0.00018175055587
                3s
                   +0 :              -0.00002034126424
                2p
                   -1 :               0.00033035818709
                   +0 :              -0.00004541087262
                   +1 :              -0.00017715848355
                3p
                   -1 :              -0.00021256372882
                   +0 :              -0.00001474787672
                   +1 :               0.00013752335398
                3d
                   -2 :              -0.00000199134001
                   -1 :              -0.00000054294282
                   +0 :               0.00001034667474
                   +1 :              -0.00000491068146
                   +2 :               0.00000738932788
             10 vec=    10.374069      8.983459     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00003783901590
                2s
                   +0 :               0.00022555740313
                3s
                   +0 :              -0.00011536945156
                2p
                   -1 :              -0.00000920028531
                   +0 :              -0.00008602902672
                   +1 :               0.00013831092979
                3p
                   -1 :              -0.00000592857502
                   +0 :               0.00006273749402
                   +1 :              -0.00007959024405
                3d
                   -2 :              -0.00001032043137
                   -1 :               0.00000343369817
                   +0 :              -0.00000631421425
                   +1 :              -0.00000219763617
                   +2 :               0.00000691823416
             11 vec=     2.593906    -13.475936     -8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00000339644101
                2s
                   +0 :              -0.00003001027509
                3s
                   +0 :              -0.00002929689427
                2p
                   -1 :              -0.00008881678084
                   +0 :               0.00013391755237
                   +1 :               0.00019509293886
                3p
                   -1 :               0.00014366625019
                   +0 :              -0.00007063122591
                   +1 :              -0.00017562411203
                3d
                   -2 :               0.00001689211518
                   -1 :               0.00000131929919
                   +0 :               0.00000696088829
                   +1 :              -0.00000826216999
                   +2 :              -0.00000588335724
             12 vec=    10.374069     -8.984057     -8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000523118869
                2s
                   +0 :              -0.00002999140081
                3s
                   +0 :              -0.00002723067311
                2p
                   -1 :               0.00000030683254
                   +0 :              -0.00000734998619
                   +1 :              -0.00008517860818
                3p
                   -1 :               0.00002205107269
                   +0 :               0.00007268200632
                   +1 :               0.00004739568185
                3d
                   -2 :              -0.00000289287167
                   -1 :              -0.00001106720291
                   +0 :              -0.00000490447172
                   +1 :               0.00000214520116
                   +2 :               0.00001340212140
             13 vec=    -5.186256     -0.000299     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00001087697192
                2s
                   +0 :               0.00012235854649
                3s
                   +0 :              -0.00001968010577
                2p
                   -1 :              -0.00005635688449
                   +0 :               0.00010045258812
                   +1 :               0.00007097810100
                3p
                   -1 :               0.00000225449531
                   +0 :              -0.00000615481957
                   +1 :              -0.00003455653956
                3d
                   -2 :               0.00000496296579
                   -1 :              -0.00000439705759
                   +0 :               0.00001276181733
                   +1 :              -0.00000197429236
                   +2 :              -0.00000570626528
             14 vec=     2.593906      4.491580     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000338763949
                2s
                   +0 :               0.00002397512813
                3s
                   +0 :              -0.00001711798507
                2p
                   -1 :              -0.00000483054130
                   +0 :               0.00007120118931
                   +1 :              -0.00006724770170
                3p
                   -1 :              -0.00000279858138
                   +0 :              -0.00007675322488
                   +1 :               0.00002493155145
                3d
                   -2 :               0.00000364083071
                   -1 :               0.00000288154844
                   +0 :              -0.00000435350266
                   +1 :              -0.00000103255321
                   +2 :              -0.00000132957071
             15 vec=     2.593906     -4.492178     16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00000291326930
                2s
                   +0 :              -0.00000461531302
                3s
                   +0 :              -0.00002394637934
                2p
                   -1 :              -0.00011265538998
                   +0 :               0.00002397170842
                   +1 :              -0.00001308947634
                3p
                   -1 :               0.00008410587000
                   +0 :              -0.00007193397093
                   +1 :              -0.00000275138203
                3d
                   -2 :               0.00000153219586
                   -1 :               0.00000431925253
                   +0 :              -0.00000213885126
                   +1 :              -0.00000111020913
                   +2 :               0.00000223060042
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 20)  npairs=  15
              1 vec=    -2.174296      4.491580     -8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00019355947611
                2s
                   +0 :               0.00191809170654
                3s
                   +0 :              -0.00003253302279
                2p
                   -1 :               0.00037713398468
                   +0 :              -0.00223661235697
                   +1 :              -0.00129165814383
                3p
                   -1 :               0.00025041971403
                   +0 :              -0.00007656738756
                   +1 :              -0.00047063577852
                3d
                   -2 :              -0.00012302736542
                   -1 :              -0.00007569979171
                   +0 :               0.00002218279370
                   +1 :               0.00014187165964
                   +2 :               0.00000621092677
              2 vec=    -2.174296     -4.492178     -8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00010716053269
                2s
                   +0 :               0.00004734384774
                3s
                   +0 :              -0.00049934460753
                2p
                   -1 :               0.00099238553374
                   +0 :               0.00081000899699
                   +1 :              -0.00216859734229
                3p
                   -1 :              -0.00020910396875
                   +0 :               0.00006296018414
                   +1 :               0.00098929926681
                3d
                   -2 :              -0.00007410237988
                   -1 :              -0.00006103167857
                   +0 :               0.00010321550922
                   +1 :               0.00004096133544
                   +2 :              -0.00013423764854
              3 vec=     5.605867     -0.000299     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00023123736908
                2s
                   +0 :              -0.00235782934967
                3s
                   +0 :               0.00043896429820
                2p
                   -1 :               0.00029577147465
                   +0 :               0.00200390293424
                   +1 :              -0.00179892823994
                3p
                   -1 :              -0.00078095357217
                   +0 :              -0.00061495479370
                   +1 :               0.00083424210914
                3d
                   -2 :              -0.00000674696736
                   -1 :               0.00007064031502
                   +0 :              -0.00015010987825
                   +1 :              -0.00000366038055
                   +2 :              -0.00000261497461
              4 vec=    -9.954459     -0.000299     -8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00000655524342
                2s
                   +0 :               0.00005103791348
                3s
                   +0 :              -0.00004496640645
                2p
                   -1 :               0.00062740277197
                   +0 :              -0.00016173205209
                   +1 :               0.00034014550325
                3p
                   -1 :              -0.00046957659370
                   +0 :              -0.00004086635557
                   +1 :              -0.00022837287234
                3d
                   -2 :               0.00001668181097
                   -1 :               0.00003514690515
                   +0 :               0.00003548269104
                   +1 :               0.00000984797128
                   +2 :              -0.00003350531981
              5 vec=     5.605867      8.983459     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00001304741083
                2s
                   +0 :               0.00026204648550
                3s
                   +0 :               0.00005701486080
                2p
                   -1 :               0.00008722376696
                   +0 :               0.00035856520135
                   +1 :              -0.00012772341594
                3p
                   -1 :               0.00009377783013
                   +0 :              -0.00030142870325
                   +1 :               0.00033858616075
                3d
                   -2 :               0.00002591538715
                   -1 :               0.00001533163023
                   +0 :               0.00000715094029
                   +1 :              -0.00000920390979
                   +2 :               0.00002851719168
              6 vec=     5.605867     -8.984057     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00004678370762
                2s
                   +0 :              -0.00067636863273
                3s
                   +0 :               0.00017987907492
                2p
                   -1 :               0.00019440302691
                   +0 :               0.00044091844251
                   +1 :              -0.00002195031218
                3p
                   -1 :              -0.00001654901102
                   +0 :              -0.00014923810764
                   +1 :              -0.00001577139179
                3d
                   -2 :              -0.00003496384308
                   -1 :               0.00002234711017
                   +0 :               0.00000265088334
                   +1 :              -0.00001209958311
                   +2 :               0.00003067011245
              7 vec=    -9.954459      8.983459     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00001727402665
                2s
                   +0 :               0.00013994647710
                3s
                   +0 :              -0.00003376465392
                2p
                   -1 :              -0.00011279228722
                   +0 :              -0.00012450576581
                   +1 :              -0.00015808260260
                3p
                   -1 :               0.00009397860198
                   +0 :               0.00001031412705
                   +1 :               0.00004981535677
                3d
                   -2 :               0.00000086165734
                   -1 :              -0.00001763750813
                   +0 :              -0.00000825144120
                   +1 :              -0.00000908610037
                   +2 :              -0.00000791462832
              8 vec=    -9.954459     -8.984057     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00001247001322
                2s
                   +0 :               0.00004179516677
                3s
                   +0 :              -0.00007146075818
                2p
                   -1 :               0.00008808007499
                   +0 :               0.00014255171850
                   +1 :               0.00001221754659
                3p
                   -1 :              -0.00009359155530
                   +0 :              -0.00005232578246
                   +1 :               0.00002838206273
                3d
                   -2 :               0.00000129258405
                   -1 :               0.00001432890123
                   +0 :               0.00000323866905
                   +1 :              -0.00000804428371
                   +2 :              -0.00000419997744
              9 vec=    -2.174296     13.475338     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00000427068483
                2s
                   +0 :               0.00001277221999
                3s
                   +0 :               0.00004399229633
                2p
                   -1 :               0.00011678988718
                   +0 :              -0.00001498986578
                   +1 :               0.00016965715136
                3p
                   -1 :              -0.00006406972723
                   +0 :              -0.00004651443639
                   +1 :              -0.00011954475197
                3d
                   -2 :              -0.00000027184726
                   -1 :              -0.00000471721063
                   +0 :               0.00000825103615
                   +1 :               0.00001599676258
                   +2 :               0.00001809862025
             10 vec=    -2.174296    -13.475936     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00006757435935
                2s
                   +0 :               0.00041620363356
                3s
                   +0 :              -0.00023993868990
                2p
                   -1 :              -0.00020591519531
                   +0 :              -0.00001145097467
                   +1 :              -0.00007189919834
                3p
                   -1 :               0.00019564879259
                   +0 :               0.00001690958340
                   +1 :               0.00008094183835
                3d
                   -2 :              -0.00001684859898
                   -1 :               0.00000152135086
                   +0 :              -0.00000122989922
                   +1 :               0.00001019268551
                   +2 :               0.00000087685596
             11 vec=    13.386029      4.491580     -8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00004525671275
                2s
                   +0 :              -0.00023873523964
                3s
                   +0 :               0.00013993056076
                2p
                   -1 :               0.00012554920292
                   +0 :               0.00006222342622
                   +1 :              -0.00007579714349
                3p
                   -1 :              -0.00012104596344
                   +0 :              -0.00005688345004
                   +1 :               0.00009273230323
                3d
                   -2 :               0.00000007110924
                   -1 :               0.00000270207467
                   +0 :               0.00000089554901
                   +1 :              -0.00000918410756
                   +2 :               0.00000413295742
             12 vec=    13.386029     -4.492178     -8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00001126659554
                2s
                   +0 :               0.00004563745008
                3s
                   +0 :              -0.00004264950785
                2p
                   -1 :              -0.00000928113424
                   +0 :               0.00005463597236
                   +1 :               0.00006515811854
                3p
                   -1 :               0.00000584042745
                   +0 :              -0.00004412060592
                   +1 :              -0.00009625152694
                3d
                   -2 :               0.00000145256730
                   -1 :               0.00000243428814
                   +0 :               0.00001485737999
                   +1 :               0.00000081716349
                   +2 :              -0.00000662853705
             13 vec=    -2.174296      4.491580     16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00001266890561
                2s
                   +0 :              -0.00009634145263
                3s
                   +0 :               0.00003208833035
                2p
                   -1 :              -0.00006490333669
                   +0 :              -0.00009779653167
                   +1 :              -0.00000360913829
                3p
                   -1 :               0.00005000429813
                   +0 :               0.00004942610834
                   +1 :               0.00001295676210
                3d
                   -2 :               0.00000040575925
                   -1 :               0.00000103229552
                   +0 :              -0.00000205042281
                   +1 :              -0.00000035617624
                   +2 :              -0.00000363312831
             14 vec=    -2.174296     -4.492178     16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00000538073295
                2s
                   +0 :              -0.00005764585376
                3s
                   +0 :               0.00001336525532
                2p
                   -1 :              -0.00004535511600
                   +0 :              -0.00008885423473
                   +1 :              -0.00001957923131
                3p
                   -1 :               0.00002680669849
                   +0 :               0.00003581373171
                   +1 :               0.00003572837175
                3d
                   -2 :              -0.00000095072041
                   -1 :               0.00000354234057
                   +0 :               0.00000335065567
                   +1 :               0.00000233773835
                   +2 :              -0.00000102387986
             15 vec=     5.605867     -0.000299     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000596127819
                2s
                   +0 :               0.00006294753632
                3s
                   +0 :              -0.00000854318435
                2p
                   -1 :              -0.00009801401163
                   +0 :               0.00005272622508
                   +1 :               0.00004042326237
                3p
                   -1 :               0.00000928871017
                   +0 :               0.00001064730627
                   +1 :              -0.00004677776139
                3d
                   -2 :              -0.00000472265675
                   -1 :              -0.00000646392745
                   +0 :               0.00000485299829
                   +1 :              -0.00000328529570
                   +2 :              -0.00000465123932
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 21)  npairs=  14
              1 vec=     0.209805     -0.362794     -8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00019128753703
                2s
                   +0 :               0.00121137581450
                3s
                   +0 :              -0.00058233053063
                2p
                   -1 :              -0.00006874872196
                   +0 :               0.00054411621194
                   +1 :               0.00060444654021
                3p
                   -1 :              -0.00124651948144
                   +0 :              -0.00067334099278
                   +1 :              -0.00058925948861
                3d
                   -2 :              -0.00002242691823
                   -1 :               0.00010330709409
                   +0 :               0.00025458246589
                   +1 :               0.00008573034279
                   +2 :               0.00003681582689
              2 vec=    -7.570358      4.129085     -8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00004710054989
                2s
                   +0 :              -0.00041243542969
                3s
                   +0 :               0.00016821275433
                2p
                   -1 :              -0.00018278911271
                   +0 :               0.00043263818459
                   +1 :              -0.00054678304719
                3p
                   -1 :              -0.00012689601678
                   +0 :              -0.00030791616749
                   +1 :               0.00051262860543
                3d
                   -2 :               0.00005700212123
                   -1 :               0.00000001989686
                   +0 :               0.00001862976262
                   +1 :              -0.00003828902387
                   +2 :               0.00000836815369
              3 vec=     0.209805      8.620964     -8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00003625393829
                2s
                   +0 :               0.00042330492892
                3s
                   +0 :               0.00028174738619
                2p
                   -1 :              -0.00023255707944
                   +0 :              -0.00045880474162
                   +1 :               0.00062202803404
                3p
                   -1 :               0.00041046042525
                   +0 :              -0.00025686519250
                   +1 :              -0.00037331255069
                3d
                   -2 :              -0.00000970940066
                   -1 :              -0.00002411950787
                   +0 :               0.00000178081030
                   +1 :              -0.00002771374420
                   +2 :               0.00001576733135
              4 vec=    -7.570358     -4.854673     -8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00006746065352
                2s
                   +0 :              -0.00076268940698
                3s
                   +0 :               0.00026835629424
                2p
                   -1 :               0.00061665960225
                   +0 :               0.00033559089678
                   +1 :              -0.00000253707776
                3p
                   -1 :              -0.00060032422920
                   +0 :              -0.00005250344568
                   +1 :               0.00034348679353
                3d
                   -2 :               0.00008647850441
                   -1 :               0.00003086619678
                   +0 :              -0.00002610326451
                   +1 :               0.00001013163745
                   +2 :              -0.00004789683055
              5 vec=     7.989968      4.129085     -8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00009692505530
                2s
                   +0 :              -0.00043957889099
                3s
                   +0 :               0.00026723654887
                2p
                   -1 :              -0.00128260636031
                   +0 :               0.00014790682427
                   +1 :               0.00055548945187
                3p
                   -1 :               0.00088095636004
                   +0 :              -0.00013970279934
                   +1 :              -0.00034836617594
                3d
                   -2 :              -0.00001249882040
                   -1 :              -0.00007122567385
                   +0 :               0.00002307722243
                   +1 :               0.00002050959376
                   +2 :              -0.00002814403604
              6 vec=     0.209805     -9.346552     -8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00002885023567
                2s
                   +0 :              -0.00003751977170
                3s
                   +0 :              -0.00009205571960
                2p
                   -1 :               0.00115740275454
                   +0 :               0.00082410732364
                   +1 :               0.00024041650170
                3p
                   -1 :              -0.00082950581678
                   +0 :              -0.00064155332066
                   +1 :              -0.00024438533519
                3d
                   -2 :               0.00002751410178
                   -1 :               0.00005309691356
                   +0 :               0.00001264670567
                   +1 :               0.00002153810281
                   +2 :              -0.00002226264324
              7 vec=     7.989968     -4.854673     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00006135636484
                2s
                   +0 :              -0.00060142825288
                3s
                   +0 :               0.00011210862242
                2p
                   -1 :               0.00004970388898
                   +0 :               0.00001887531365
                   +1 :              -0.00080026066427
                3p
                   -1 :              -0.00007789782759
                   +0 :               0.00030096351349
                   +1 :               0.00041801693875
                3d
                   -2 :              -0.00000948224736
                   -1 :               0.00002311709323
                   +0 :              -0.00001991242206
                   +1 :               0.00005245149561
                   +2 :               0.00002191927389
              8 vec=     0.209805     -0.362794     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001746811147
                2s
                   +0 :               0.00010577284662
                3s
                   +0 :              -0.00005917210217
                2p
                   -1 :               0.00006258339859
                   +0 :               0.00007316151614
                   +1 :               0.00001114663371
                3p
                   -1 :              -0.00006587824023
                   +0 :              -0.00007966834408
                   +1 :              -0.00001459073294
                3d
                   -2 :               0.00000068004395
                   -1 :              -0.00000652806109
                   +0 :              -0.00000161955037
                   +1 :               0.00000048361052
                   +2 :               0.00000161291098
              9 vec=    -7.570358     13.112843     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00001966184439
                2s
                   +0 :               0.00018768792931
                3s
                   +0 :              -0.00003055958821
                2p
                   -1 :               0.00004882655428
                   +0 :              -0.00010018792604
                   +1 :              -0.00012592104167
                3p
                   -1 :               0.00003098146579
                   +0 :               0.00004592351387
                   +1 :               0.00001955852674
                3d
                   -2 :              -0.00000963853511
                   -1 :              -0.00000142152437
                   +0 :              -0.00000349196921
                   +1 :               0.00000247647629
                   +2 :              -0.00000349080157
             10 vec=   -15.350520     -0.362794     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000471794352
                2s
                   +0 :              -0.00004849787897
                3s
                   +0 :               0.00000927596065
                2p
                   -1 :               0.00005669256408
                   +0 :               0.00004915854923
                   +1 :               0.00006747919411
                3p
                   -1 :              -0.00007249563759
                   +0 :              -0.00001733543519
                   +1 :              -0.00004597681450
                3d
                   -2 :               0.00000259556271
                   -1 :               0.00000059014229
                   +0 :              -0.00000096971862
                   +1 :              -0.00000055237602
                   +2 :              -0.00000269891510
             11 vec=     7.989968     13.112843     -8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00002968424359
                2s
                   +0 :               0.00022491675183
                3s
                   +0 :              -0.00008175297687
                2p
                   -1 :               0.00024754835556
                   +0 :              -0.00006416743692
                   +1 :               0.00007445258646
                3p
                   -1 :              -0.00016271103995
                   +0 :               0.00001622331863
                   +1 :              -0.00000051005174
                3d
                   -2 :               0.00000372219466
                   -1 :               0.00000170375485
                   +0 :              -0.00000245373705
                   +1 :              -0.00000837846800
                   +2 :               0.00000619076922
             12 vec=    -7.570358    -13.838431     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000003258754
                2s
                   +0 :              -0.00001798931537
                3s
                   +0 :              -0.00002811777800
                2p
                   -1 :               0.00004175742462
                   +0 :               0.00004280500205
                   +1 :              -0.00001291851394
                3p
                   -1 :               0.00000516954534
                   +0 :               0.00000785281867
                   +1 :               0.00000565350725
                3d
                   -2 :              -0.00000131061229
                   -1 :              -0.00000433326871
                   +0 :               0.00000065919451
                   +1 :              -0.00000019719616
                   +2 :               0.00000433531274
             13 vec=    15.770130     -0.362794     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000101157868
                2s
                   +0 :              -0.00003417269089
                3s
                   +0 :              -0.00000319908166
                2p
                   -1 :               0.00003042707786
                   +0 :               0.00008717495231
                   +1 :              -0.00000024190505
                3p
                   -1 :              -0.00004275999921
                   +0 :              -0.00005701454117
                   +1 :              -0.00003149092910
                3d
                   -2 :               0.00000176741623
                   -1 :               0.00000296963983
                   +0 :              -0.00000090668602
                   +1 :               0.00000022828895
                   +2 :              -0.00000084643584
             14 vec=     7.989968    -13.838431     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00001253265685
                2s
                   +0 :              -0.00010705992128
                3s
                   +0 :               0.00003338619287
                2p
                   -1 :               0.00005817059602
                   +0 :               0.00000354574511
                   +1 :              -0.00001405037031
                3p
                   -1 :              -0.00000813446818
                   +0 :               0.00001236940273
                   +1 :               0.00000352998442
                3d
                   -2 :              -0.00000173093318
                   -1 :               0.00000229855320
                   +0 :              -0.00000333759433
                   +1 :              -0.00000356073327
                   +2 :               0.00000361984760
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 22)  npairs=  14
              1 vec=    -2.173777     -1.739555      4.091257   |vec|=    4.948711
                1s
                   +0 :               0.00116241197878
                2s
                   +0 :              -0.03252396954789
                3s
                   +0 :               0.00246591228642
                2p
                   -1 :               0.00006970393383
                   +0 :              -0.02372349346116
                   +1 :               0.01251833745194
                3p
                   -1 :              -0.00563890584856
                   +0 :               0.00240836029176
                   +1 :              -0.00211021363925
                3d
                   -2 :              -0.00000285923650
                   -1 :              -0.00110853374642
                   +0 :              -0.00155417462247
                   +1 :               0.00118899281095
                   +2 :              -0.00113256662385
              2 vec=     5.606385      2.752324      4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00001943901960
                2s
                   +0 :               0.00029418267926
                3s
                   +0 :              -0.00006817593992
                2p
                   -1 :               0.00111485038731
                   +0 :              -0.00233018385366
                   +1 :               0.00055116401051
                3p
                   -1 :              -0.00104812680233
                   +0 :               0.00263548508127
                   +1 :               0.00083090939861
                3d
                   -2 :              -0.00008177718306
                   -1 :               0.00003393402988
                   +0 :               0.00006682931202
                   +1 :              -0.00011812817410
                   +2 :              -0.00007498994212
              3 vec=    -2.173777      7.244203      4.091257   |vec|=    8.598963
                1s
                   +0 :              -0.00030021694768
                2s
                   +0 :               0.00096303010628
                3s
                   +0 :              -0.00018997565835
                2p
                   -1 :               0.00171317883804
                   +0 :              -0.00206044874197
                   +1 :              -0.00117653578823
                3p
                   -1 :              -0.00056579934598
                   +0 :               0.00220977827627
                   +1 :               0.00068562654901
                3d
                   -2 :               0.00000713203217
                   -1 :               0.00008390832122
                   +0 :               0.00022179018281
                   +1 :               0.00000498253808
                   +2 :               0.00003469664973
              4 vec=     5.606385     -6.231434      4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00048786229345
                2s
                   +0 :              -0.00298067996479
                3s
                   +0 :               0.00110754254418
                2p
                   -1 :               0.00114579710065
                   +0 :              -0.00178283316867
                   +1 :              -0.00211800884647
                3p
                   -1 :              -0.00070523891231
                   +0 :              -0.00007681231021
                   +1 :               0.00128399763187
                3d
                   -2 :              -0.00020194348527
                   -1 :              -0.00015199911001
                   +0 :              -0.00020232498021
                   +1 :              -0.00008717999938
                   +2 :               0.00016249319054
              5 vec=    -9.953940      2.752324      4.091257   |vec|=   11.108312
                1s
                   +0 :              -0.00002806857952
                2s
                   +0 :               0.00037986599365
                3s
                   +0 :              -0.00021695359789
                2p
                   -1 :              -0.00009153685314
                   +0 :               0.00040306703271
                   +1 :              -0.00221705737390
                3p
                   -1 :              -0.00014499238818
                   +0 :              -0.00029280193754
                   +1 :               0.00177989231430
                3d
                   -2 :               0.00011673651876
                   -1 :              -0.00002742473265
                   +0 :               0.00017325941835
                   +1 :              -0.00005126650169
                   +2 :              -0.00009407982836
              6 vec=    -2.173777    -10.723313      4.091257   |vec|=   11.681316
                1s
                   +0 :              -0.00009221178271
                2s
                   +0 :               0.00038057996810
                3s
                   +0 :              -0.00028129123077
                2p
                   -1 :              -0.00047645298440
                   +0 :               0.00018728427741
                   +1 :               0.00072537409583
                3p
                   -1 :               0.00066172907478
                   +0 :              -0.00015361236540
                   +1 :              -0.00063191358050
                3d
                   -2 :              -0.00011538577067
                   -1 :               0.00000229818123
                   +0 :               0.00009706736639
                   +1 :               0.00008210276515
                   +2 :               0.00009873939274
              7 vec=    -9.953940     -6.231434      4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00002640982029
                2s
                   +0 :              -0.00034298173143
                3s
                   +0 :               0.00011461833386
                2p
                   -1 :              -0.00017204928942
                   +0 :              -0.00012257237096
                   +1 :               0.00098817094697
                3p
                   -1 :               0.00007477952140
                   +0 :               0.00029978314001
                   +1 :              -0.00086354963590
                3d
                   -2 :              -0.00000768735785
                   -1 :              -0.00001689094699
                   +0 :              -0.00000274000343
                   +1 :              -0.00003997097706
                   +2 :               0.00001111512978
              8 vec=     5.606385     11.736082      4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00001806877660
                2s
                   +0 :               0.00054358181538
                3s
                   +0 :               0.00004343238054
                2p
                   -1 :               0.00035766244576
                   +0 :               0.00037350658120
                   +1 :               0.00010908846929
                3p
                   -1 :              -0.00004956922933
                   +0 :               0.00006789112530
                   +1 :               0.00001361588560
                3d
                   -2 :               0.00001175605638
                   -1 :               0.00002111862575
                   +0 :               0.00000615918601
                   +1 :              -0.00000831882701
                   +2 :              -0.00000025863567
              9 vec=    13.386548     -1.739555      4.091257   |vec|=   14.105463
                1s
                   +0 :               0.00002047309877
                2s
                   +0 :              -0.00017173740506
                3s
                   +0 :               0.00004644283344
                2p
                   -1 :              -0.00017173834957
                   +0 :               0.00017461763743
                   +1 :               0.00007050268987
                3p
                   -1 :               0.00010053877163
                   +0 :              -0.00014254439262
                   +1 :              -0.00013167017980
                3d
                   -2 :               0.00001179746929
                   -1 :               0.00000063993183
                   +0 :              -0.00000310536869
                   +1 :              -0.00001772928233
                   +2 :              -0.00000144330323
             10 vec=    13.386548      7.244203      4.091257   |vec|=   15.761235
                1s
                   +0 :               0.00001824786923
                2s
                   +0 :              -0.00009139343886
                3s
                   +0 :               0.00006537640679
                2p
                   -1 :               0.00003750795969
                   +0 :               0.00001938399221
                   +1 :              -0.00007486263338
                3p
                   -1 :              -0.00005903057849
                   +0 :               0.00000045081167
                   +1 :               0.00010107972810
                3d
                   -2 :               0.00000036042027
                   -1 :              -0.00000453817953
                   +0 :               0.00000085146735
                   +1 :              -0.00001094131152
                   +2 :               0.00001231159959
             11 vec=    -9.953940     11.736082      4.091257   |vec|=   15.923408
                1s
                   +0 :              -0.00004573800638
                2s
                   +0 :               0.00032201114602
                3s
                   +0 :              -0.00013772496583
                2p
                   -1 :               0.00015528199976
                   +0 :               0.00006000129260
                   +1 :              -0.00030962244612
                3p
                   -1 :              -0.00005953895496
                   +0 :              -0.00002153198239
                   +1 :               0.00017245576325
                3d
                   -2 :               0.00000854002963
                   -1 :               0.00000527428639
                   +0 :              -0.00000991509950
                   +1 :               0.00000097028599
                   +2 :              -0.00001077817251
             12 vec=     5.606385    -15.215192      4.091257   |vec|=   16.723397
                1s
                   +0 :               0.00001866371693
                2s
                   +0 :              -0.00017165680420
                3s
                   +0 :               0.00006352184701
                2p
                   -1 :               0.00017895953100
                   +0 :               0.00001517088305
                   +1 :              -0.00036254978291
                3p
                   -1 :              -0.00011480423182
                   +0 :              -0.00004187302932
                   +1 :               0.00029616216256
                3d
                   -2 :              -0.00000999258575
                   -1 :              -0.00000617609367
                   +0 :              -0.00001261829676
                   +1 :               0.00000111537635
                   +2 :              -0.00000382616351
             13 vec=    -2.173777     16.227961      4.091257   |vec|=   16.876327
                1s
                   +0 :              -0.00002607171687
                2s
                   +0 :               0.00021389741674
                3s
                   +0 :              -0.00006386962088
                2p
                   -1 :               0.00018498577106
                   +0 :               0.00007475368958
                   +1 :              -0.00007226933575
                3p
                   -1 :              -0.00004997862365
                   +0 :              -0.00002027958175
                   +1 :               0.00005464226139
                3d
                   -2 :               0.00001172647901
                   -1 :              -0.00000499501596
                   +0 :               0.00000063470108
                   +1 :               0.00000335004649
                   +2 :              -0.00000070251327
             14 vec=    13.386548    -10.723313      4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00000106648262
                2s
                   +0 :              -0.00001790571573
                3s
                   +0 :               0.00000158018544
                2p
                   -1 :               0.00000124646377
                   +0 :               0.00005772891375
                   +1 :              -0.00001267384055
                3p
                   -1 :              -0.00001367777799
                   +0 :              -0.00004574655133
                   +1 :              -0.00002194284428
                3d
                   -2 :               0.00000275455838
                   -1 :              -0.00000023615843
                   +0 :               0.00000009637692
                   +1 :              -0.00000399786527
                   +2 :              -0.00000638826659
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 23)  npairs=  14
              1 vec=     2.593388     -1.739555      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00034903681650
                2s
                   +0 :              -0.01679723566661
                3s
                   +0 :              -0.00230228390822
                2p
                   -1 :              -0.00368825587342
                   +0 :              -0.01484144878674
                   +1 :              -0.00344576101553
                3p
                   -1 :              -0.00009383158841
                   +0 :              -0.00075385042883
                   +1 :              -0.00511042044440
                3d
                   -2 :              -0.00002569518716
                   -1 :              -0.00032616210161
                   +0 :              -0.00133792977072
                   +1 :              -0.00185440162143
                   +2 :              -0.00065237793750
              2 vec=    -5.186775      2.752324      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00144022661445
                2s
                   +0 :               0.00958082817206
                3s
                   +0 :              -0.00456235451661
                2p
                   -1 :               0.00814610019882
                   +0 :               0.00128262640858
                   +1 :              -0.00381018924835
                3p
                   -1 :              -0.00722355335843
                   +0 :              -0.00067206109315
                   +1 :               0.00170784829664
                3d
                   -2 :               0.00047051433587
                   -1 :               0.00005696019375
                   +0 :               0.00013451642451
                   +1 :               0.00010835412414
                   +2 :              -0.00020614968593
              3 vec=     2.593388      7.244203      4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00011717806014
                2s
                   +0 :              -0.00015172670736
                3s
                   +0 :              -0.00000088321080
                2p
                   -1 :               0.00266196047676
                   +0 :              -0.00158239941290
                   +1 :               0.00140249453580
                3p
                   -1 :              -0.00102383573182
                   +0 :               0.00088662159912
                   +1 :              -0.00072866923220
                3d
                   -2 :              -0.00008640575504
                   -1 :              -0.00000792888233
                   +0 :               0.00000927564338
                   +1 :               0.00008978865639
                   +2 :               0.00005158513364
              4 vec=    -5.186775     -6.231434      4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00029573597092
                2s
                   +0 :              -0.00137909929693
                3s
                   +0 :               0.00056447534942
                2p
                   -1 :              -0.00224433093915
                   +0 :              -0.00383424824475
                   +1 :               0.00088048279544
                3p
                   -1 :               0.00158130684317
                   +0 :               0.00169444029562
                   +1 :               0.00032728301549
                3d
                   -2 :              -0.00011118866298
                   -1 :               0.00014425165702
                   +0 :               0.00004689983956
                   +1 :              -0.00010698460326
                   +2 :               0.00006709802767
              5 vec=    10.373550      2.752324      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00000210370687
                2s
                   +0 :               0.00014050980889
                3s
                   +0 :               0.00003090777284
                2p
                   -1 :              -0.00003699478875
                   +0 :              -0.00008953192815
                   +1 :               0.00040713372468
                3p
                   -1 :              -0.00018945140454
                   +0 :               0.00011602688437
                   +1 :              -0.00020939709764
                3d
                   -2 :              -0.00002520041257
                   -1 :              -0.00000821006344
                   +0 :               0.00003038084289
                   +1 :               0.00008383790262
                   +2 :              -0.00000084473955
              6 vec=     2.593388    -10.723313      4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00006106107561
                2s
                   +0 :              -0.00068821610468
                3s
                   +0 :               0.00014107529516
                2p
                   -1 :              -0.00000758256944
                   +0 :              -0.00040330059248
                   +1 :               0.00031781363364
                3p
                   -1 :               0.00022869917412
                   +0 :               0.00024456244694
                   +1 :              -0.00029391021878
                3d
                   -2 :               0.00003102644758
                   -1 :              -0.00000384600007
                   +0 :              -0.00002657305464
                   +1 :               0.00003296914609
                   +2 :               0.00008569391537
              7 vec=    10.373550     -6.231434      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00000054725697
                2s
                   +0 :              -0.00023857382440
                3s
                   +0 :              -0.00000178801295
                2p
                   -1 :              -0.00003185305658
                   +0 :               0.00042915677018
                   +1 :               0.00018097030556
                3p
                   -1 :               0.00005754663028
                   +0 :              -0.00029403635070
                   +1 :              -0.00019840089952
                3d
                   -2 :              -0.00001357512267
                   -1 :               0.00002837151279
                   +0 :              -0.00002214676991
                   +1 :              -0.00000638793923
                   +2 :               0.00002417604478
              8 vec=    -5.186775     11.736082      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00005747008206
                2s
                   +0 :               0.00084623383314
                3s
                   +0 :              -0.00007050938207
                2p
                   -1 :               0.00072970287435
                   +0 :               0.00071275892036
                   +1 :               0.00007134464252
                3p
                   -1 :              -0.00034753045519
                   +0 :              -0.00009592010999
                   +1 :              -0.00008778934553
                3d
                   -2 :              -0.00001344774365
                   -1 :               0.00000211849368
                   +0 :               0.00003373873069
                   +1 :               0.00000060196852
                   +2 :              -0.00000549417604
              9 vec=   -12.966938     -1.739555      4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00005154545817
                2s
                   +0 :               0.00024387862250
                3s
                   +0 :              -0.00018845232030
                2p
                   -1 :               0.00006285777370
                   +0 :               0.00014734100804
                   +1 :              -0.00017991263968
                3p
                   -1 :              -0.00013258121258
                   +0 :              -0.00014367928484
                   +1 :               0.00025183547277
                3d
                   -2 :               0.00000099056514
                   -1 :              -0.00000590187910
                   +0 :               0.00001211563605
                   +1 :               0.00000754363415
                   +2 :              -0.00001924765018
             10 vec=   -12.966938      7.244203      4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00000457152438
                2s
                   +0 :              -0.00000381138087
                3s
                   +0 :               0.00003022607816
                2p
                   -1 :              -0.00006843624222
                   +0 :               0.00006660402350
                   +1 :               0.00000882312663
                3p
                   -1 :               0.00003261606067
                   +0 :              -0.00002494081147
                   +1 :              -0.00005949946785
                3d
                   -2 :              -0.00001738841650
                   -1 :               0.00000781244463
                   +0 :              -0.00000879983380
                   +1 :               0.00000340467738
                   +2 :              -0.00000632807257
             11 vec=    10.373550     11.736082      4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00001923812179
                2s
                   +0 :              -0.00006358067547
                3s
                   +0 :               0.00006206851971
                2p
                   -1 :               0.00006124703534
                   +0 :               0.00008499261297
                   +1 :               0.00007176352631
                3p
                   -1 :              -0.00000835579807
                   +0 :              -0.00001938565593
                   +1 :               0.00001743442973
                3d
                   -2 :              -0.00000636585308
                   -1 :              -0.00000465799123
                   +0 :              -0.00000119554398
                   +1 :              -0.00000070135527
                   +2 :              -0.00000044698389
             12 vec=    -5.186775    -15.215192      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00003784811467
                2s
                   +0 :              -0.00029488514739
                3s
                   +0 :               0.00007673646305
                2p
                   -1 :               0.00002005905600
                   +0 :               0.00005821980498
                   +1 :               0.00003155191228
                3p
                   -1 :               0.00010940674087
                   +0 :              -0.00006991829743
                   +1 :              -0.00000575923870
                3d
                   -2 :               0.00001739633378
                   -1 :               0.00000188548981
                   +0 :              -0.00000526616637
                   +1 :              -0.00000346691390
                   +2 :               0.00000667398235
             13 vec=     2.593388     16.227961      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00002404790094
                2s
                   +0 :               0.00015627054310
                3s
                   +0 :              -0.00005793960613
                2p
                   -1 :               0.00016426851158
                   +0 :               0.00003274729781
                   +1 :               0.00008274550075
                3p
                   -1 :              -0.00005551517051
                   +0 :               0.00002575221222
                   +1 :              -0.00005250836336
                3d
                   -2 :              -0.00000556140770
                   -1 :              -0.00000242982115
                   +0 :               0.00000324936218
                   +1 :               0.00000265849532
                   +2 :               0.00000196915198
             14 vec=   -12.966938    -10.723313      4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00002028689777
                2s
                   +0 :              -0.00014495681359
                3s
                   +0 :               0.00005544131037
                2p
                   -1 :              -0.00002723992638
                   +0 :               0.00001271436667
                   +1 :               0.00000303624160
                3p
                   -1 :               0.00004842167380
                   +0 :              -0.00001135503130
                   +1 :               0.00002535899336
                3d
                   -2 :               0.00000193606023
                   -1 :               0.00000402521464
                   +0 :              -0.00000779275352
                   +1 :               0.00000189146604
                   +2 :               0.00000120893454
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 24)  npairs=  14
              1 vec=     0.209805      3.115717      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00152117894215
                2s
                   +0 :               0.04168769633767
                3s
                   +0 :              -0.00150542951120
                2p
                   -1 :               0.00825730432770
                   +0 :               0.02293443962301
                   +1 :               0.00092898516911
                3p
                   -1 :               0.00559032452349
                   +0 :               0.00115808792135
                   +1 :               0.00061632618695
                3d
                   -2 :               0.00004466448355
                   -1 :               0.00217959363458
                   +0 :               0.00127663584257
                   +1 :              -0.00068615028942
                   +2 :              -0.00047491183751
              2 vec=     0.209805     -5.868041      4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00142305855632
                2s
                   +0 :              -0.01169234303750
                3s
                   +0 :               0.00595007717444
                2p
                   -1 :               0.01509359430720
                   +0 :              -0.01222301832635
                   +1 :              -0.00040893005353
                3p
                   -1 :              -0.01138157994490
                   +0 :               0.00812894677511
                   +1 :               0.00097717856140
                3d
                   -2 :               0.00004462457397
                   -1 :              -0.00138303823612
                   +0 :               0.00054603534796
                   +1 :              -0.00003640582212
                   +2 :              -0.00074082545149
              3 vec=    -7.570358     -1.376162      4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00028282740585
                2s
                   +0 :               0.00158009367256
                3s
                   +0 :              -0.00089718594371
                2p
                   -1 :              -0.00189773727377
                   +0 :              -0.00011563324363
                   +1 :               0.00070660739307
                3p
                   -1 :               0.00154631316828
                   +0 :               0.00058946832268
                   +1 :              -0.00055491643465
                3d
                   -2 :              -0.00004395022705
                   -1 :              -0.00009106207538
                   +0 :              -0.00000111543519
                   +1 :              -0.00006132147330
                   +2 :               0.00013332136798
              4 vec=     7.989968     -1.376162      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00027747767623
                2s
                   +0 :               0.00183193070837
                3s
                   +0 :              -0.00094978436156
                2p
                   -1 :               0.00119462296964
                   +0 :               0.00047603695215
                   +1 :              -0.00112506030338
                3p
                   -1 :              -0.00127247344564
                   +0 :              -0.00001118755467
                   +1 :               0.00054239365383
                3d
                   -2 :              -0.00001658756946
                   -1 :              -0.00004110412763
                   +0 :               0.00000495849779
                   +1 :               0.00014600733664
                   +2 :               0.00008925683135
              5 vec=    -7.570358      7.607596      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00004380473881
                2s
                   +0 :              -0.00003689348324
                3s
                   +0 :               0.00039157474185
                2p
                   -1 :              -0.00067265887143
                   +0 :              -0.00030380225013
                   +1 :              -0.00027158346679
                3p
                   -1 :               0.00081808004865
                   +0 :               0.00047173180909
                   +1 :              -0.00028178257180
                3d
                   -2 :              -0.00005774198387
                   -1 :              -0.00001880963845
                   +0 :              -0.00003266759144
                   +1 :              -0.00003634104915
                   +2 :              -0.00000656997748
              6 vec=     7.989968      7.607596      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00007584785166
                2s
                   +0 :               0.00059051317743
                3s
                   +0 :              -0.00026040497656
                2p
                   -1 :               0.00053796978039
                   +0 :               0.00028554244398
                   +1 :               0.00067883606135
                3p
                   -1 :              -0.00057592689425
                   +0 :              -0.00017615183354
                   +1 :              -0.00036042047253
                3d
                   -2 :               0.00001270492238
                   -1 :              -0.00001569696510
                   +0 :              -0.00001665046108
                   +1 :              -0.00000512392158
                   +2 :               0.00001008726121
              7 vec=     0.209805     12.099475      4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00000593893214
                2s
                   +0 :               0.00042110172437
                3s
                   +0 :               0.00003425707541
                2p
                   -1 :              -0.00025032616637
                   +0 :              -0.00007702887202
                   +1 :              -0.00022874159430
                3p
                   -1 :               0.00034872297973
                   +0 :               0.00015471867264
                   +1 :               0.00011392084053
                3d
                   -2 :              -0.00000187596033
                   -1 :               0.00001629652037
                   +0 :               0.00001061728660
                   +1 :              -0.00000126030433
                   +2 :              -0.00000554802179
              8 vec=    -7.570358    -10.359920      4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00009363734472
                2s
                   +0 :              -0.00095450642992
                3s
                   +0 :               0.00012539609032
                2p
                   -1 :               0.00048235151631
                   +0 :               0.00018564282366
                   +1 :              -0.00019171013712
                3p
                   -1 :              -0.00031790148861
                   +0 :              -0.00040659358692
                   +1 :               0.00034722353258
                3d
                   -2 :              -0.00002854296583
                   -1 :               0.00002770080669
                   +0 :              -0.00002334798738
                   +1 :               0.00003831949024
                   +2 :              -0.00005089538286
              9 vec=     7.989968    -10.359920      4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00009692632632
                2s
                   +0 :               0.00027950622734
                3s
                   +0 :              -0.00029671716356
                2p
                   -1 :               0.00042365284894
                   +0 :               0.00026461180131
                   +1 :              -0.00044221405616
                3p
                   -1 :              -0.00036572438527
                   +0 :              -0.00026701684235
                   +1 :               0.00035245562443
                3d
                   -2 :              -0.00002732937983
                   -1 :               0.00001467851372
                   +0 :              -0.00001940815425
                   +1 :              -0.00001098480940
                   +2 :               0.00002273871259
             10 vec=     0.209805    -14.851799      4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00000120562857
                2s
                   +0 :              -0.00003978129839
                3s
                   +0 :              -0.00007716130961
                2p
                   -1 :               0.00012968067206
                   +0 :              -0.00012753216603
                   +1 :              -0.00025271539005
                3p
                   -1 :              -0.00000135943106
                   +0 :               0.00002781109284
                   +1 :               0.00021297196525
                3d
                   -2 :              -0.00001830846839
                   -1 :               0.00000734330473
                   +0 :              -0.00001011428934
                   +1 :               0.00000434467553
                   +2 :               0.00000097950632
             11 vec=   -15.350520      3.115717      4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00000494353926
                2s
                   +0 :               0.00007871485018
                3s
                   +0 :               0.00000973695114
                2p
                   -1 :              -0.00008890491383
                   +0 :               0.00012781960450
                   +1 :               0.00003672882506
                3p
                   -1 :               0.00005764280560
                   +0 :              -0.00007280749048
                   +1 :              -0.00011476498360
                3d
                   -2 :              -0.00001091818248
                   -1 :               0.00001085978008
                   +0 :              -0.00001241560153
                   +1 :               0.00000137635285
                   +2 :               0.00001884368580
             12 vec=    15.770130      3.115717      4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00000033681254
                2s
                   +0 :               0.00000527486860
                3s
                   +0 :              -0.00000943325747
                2p
                   -1 :              -0.00007980312715
                   +0 :               0.00003044383591
                   +1 :              -0.00003555532683
                3p
                   -1 :               0.00003396081042
                   +0 :              -0.00000010752765
                   +1 :               0.00007003070938
                3d
                   -2 :               0.00000043316384
                   -1 :              -0.00000143306879
                   +0 :              -0.00000268355567
                   +1 :              -0.00000552958149
                   +2 :               0.00000500708133
             13 vec=   -15.350520     -5.868041      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00000421846970
                2s
                   +0 :               0.00002203847761
                3s
                   +0 :              -0.00002630917676
                2p
                   -1 :               0.00000533255562
                   +0 :              -0.00006269721748
                   +1 :              -0.00008685081897
                3p
                   -1 :              -0.00000176914958
                   +0 :               0.00003644731171
                   +1 :               0.00009099234137
                3d
                   -2 :               0.00000016262060
                   -1 :              -0.00000201847182
                   +0 :              -0.00000092805827
                   +1 :               0.00000238879513
                   +2 :              -0.00000329911550
             14 vec=    15.770130     -5.868041      4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00002279117275
                2s
                   +0 :              -0.00015219504250
                3s
                   +0 :               0.00007244195433
                2p
                   -1 :               0.00006255115791
                   +0 :              -0.00004267448970
                   +1 :              -0.00012481723946
                3p
                   -1 :              -0.00004256775212
                   +0 :              -0.00001056474279
                   +1 :               0.00007427567689
                3d
                   -2 :              -0.00000030399034
                   -1 :               0.00000077715769
                   +0 :              -0.00000398258614
                   +1 :              -0.00000044325714
                   +2 :              -0.00000036658681
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 25)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00083401977065
                2s
                   +0 :               0.00177296867583
                3s
                   +0 :               0.00347729363507
                2p
                   -1 :               0.87791455060969
                   +0 :               0.02609017616860
                   +1 :               0.00880437307968
                3p
                   -1 :              -0.04249550691523
                   +0 :              -0.00983589882080
                   +1 :              -0.00393775918130
                3d
                   -2 :              -0.00076071415939
                   -1 :               0.00218855194392
                   +0 :               0.00073442255964
                   +1 :              -0.00190039257689
                   +2 :               0.00291464505128
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00038945766748
                2s
                   +0 :              -0.00202024091921
                3s
                   +0 :               0.00125005891186
                2p
                   -1 :              -0.00192994549689
                   +0 :               0.00031418956072
                   +1 :               0.00188965842547
                3p
                   -1 :               0.00029538128739
                   +0 :              -0.00032875402843
                   +1 :              -0.00139827709365
                3d
                   -2 :               0.00018309805507
                   -1 :               0.00004393001601
                   +0 :               0.00000205112753
                   +1 :              -0.00002809917028
                   +2 :               0.00001592067150
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00006680128612
                2s
                   +0 :               0.00058295352640
                3s
                   +0 :               0.00007197851458
                2p
                   -1 :              -0.00219915111990
                   +0 :              -0.00053533132880
                   +1 :              -0.00393308806659
                3p
                   -1 :               0.00018058607929
                   +0 :               0.00053134329077
                   +1 :               0.00126908812742
                3d
                   -2 :               0.00013774730694
                   -1 :               0.00004152989592
                   +0 :               0.00003235129210
                   +1 :              -0.00004106247207
                   +2 :               0.00006732739443
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00004289807161
                2s
                   +0 :               0.00015359814138
                3s
                   +0 :              -0.00029181716385
                2p
                   -1 :               0.00009008333795
                   +0 :              -0.00021369323811
                   +1 :              -0.00239492847516
                3p
                   -1 :               0.00089606597686
                   +0 :               0.00019511734180
                   +1 :               0.00088287802709
                3d
                   -2 :               0.00013741983985
                   -1 :              -0.00002632269961
                   +0 :              -0.00017645479175
                   +1 :               0.00015393420755
                   +2 :               0.00020865029153
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00028584445898
                2s
                   +0 :               0.00161346210454
                3s
                   +0 :              -0.00048893137517
                2p
                   -1 :               0.00135961066194
                   +0 :               0.00126328740004
                   +1 :              -0.00044623419874
                3p
                   -1 :              -0.00004567267895
                   +0 :              -0.00121992018916
                   +1 :               0.00112470559733
                3d
                   -2 :               0.00022771326525
                   -1 :               0.00000046856729
                   +0 :              -0.00013702798257
                   +1 :               0.00000890371548
                   +2 :               0.00013458986756
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028480196632
                2s
                   +0 :              -0.00101730644968
                3s
                   +0 :               0.00014872592080
                2p
                   -1 :              -0.00123076472318
                   +0 :              -0.00000018706574
                   +1 :              -0.00160592394685
                3p
                   -1 :              -0.00068602127112
                   +0 :               0.00004873790415
                   +1 :              -0.00063681251308
                3d
                   -2 :              -0.00029956474882
                   -1 :              -0.00000686077770
                   +0 :               0.00005806333608
                   +1 :              -0.00021031995868
                   +2 :              -0.00032019833280
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027205726352
                2s
                   +0 :               0.00172857130933
                3s
                   +0 :              -0.00076772351166
                2p
                   -1 :              -0.00243665949249
                   +0 :               0.00025349317167
                   +1 :               0.00336540263581
                3p
                   -1 :               0.00080744304524
                   +0 :              -0.00018845041004
                   +1 :              -0.00122742462267
                3d
                   -2 :               0.00004610642179
                   -1 :              -0.00007705468476
                   +0 :               0.00007718705482
                   +1 :              -0.00003688442825
                   +2 :               0.00006890667750
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002898262256
                2s
                   +0 :               0.00019796032767
                3s
                   +0 :              -0.00010597116326
                2p
                   -1 :              -0.00011916341648
                   +0 :               0.00010744417036
                   +1 :              -0.00020616277100
                3p
                   -1 :               0.00006383176148
                   +0 :              -0.00010801140570
                   +1 :               0.00013563775059
                3d
                   -2 :              -0.00000413919667
                   -1 :               0.00000274358410
                   +0 :               0.00000561256588
                   +1 :              -0.00000139738845
                   +2 :              -0.00000912130195
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00008264710566
                2s
                   +0 :              -0.00107521576267
                3s
                   +0 :               0.00012993075017
                2p
                   -1 :               0.00084336910557
                   +0 :               0.00014926207284
                   +1 :               0.00097414544364
                3p
                   -1 :              -0.00008239581853
                   +0 :              -0.00007796172042
                   +1 :              -0.00028489367461
                3d
                   -2 :              -0.00003881456716
                   -1 :              -0.00000035971694
                   +0 :               0.00001034162779
                   +1 :               0.00000619591915
                   +2 :               0.00002666038438
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00009393687540
                2s
                   +0 :               0.00110242888882
                3s
                   +0 :              -0.00014348485139
                2p
                   -1 :               0.00082475532590
                   +0 :              -0.00004546344835
                   +1 :              -0.00058428004829
                3p
                   -1 :              -0.00004572803744
                   +0 :               0.00005925357457
                   +1 :               0.00005433577892
                3d
                   -2 :              -0.00005580314459
                   -1 :               0.00001752751854
                   +0 :              -0.00003243493017
                   +1 :               0.00001438850038
                   +2 :              -0.00001750636530
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000663350084
                2s
                   +0 :              -0.00060276240691
                3s
                   +0 :              -0.00005373063454
                2p
                   -1 :               0.00091220528003
                   +0 :              -0.00035793561133
                   +1 :              -0.00069785779293
                3p
                   -1 :              -0.00025613555261
                   +0 :               0.00034189950974
                   +1 :               0.00022634316697
                3d
                   -2 :              -0.00000906775345
                   -1 :              -0.00004739529805
                   +0 :              -0.00001339770098
                   +1 :               0.00001140082993
                   +2 :               0.00002754440904
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00006191049419
                2s
                   +0 :               0.00086861798688
                3s
                   +0 :              -0.00007132038008
                2p
                   -1 :               0.00084574539347
                   +0 :               0.00011514370084
                   +1 :               0.00033767328835
                3p
                   -1 :              -0.00009212073637
                   +0 :              -0.00007565513781
                   +1 :              -0.00001290284963
                3d
                   -2 :               0.00003112289935
                   -1 :               0.00000247349962
                   +0 :              -0.00001829779452
                   +1 :              -0.00000653719450
                   +2 :              -0.00002641458193
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001672117931
                2s
                   +0 :              -0.00010693752263
                3s
                   +0 :               0.00004814211181
                2p
                   -1 :              -0.00003450088670
                   +0 :              -0.00014413686846
                   +1 :               0.00010976532207
                3p
                   -1 :              -0.00000328895016
                   +0 :               0.00013366671255
                   +1 :              -0.00012211945731
                3d
                   -2 :               0.00001226445621
                   -1 :               0.00000143105009
                   +0 :               0.00001915112300
                   +1 :               0.00001032811946
                   +2 :              -0.00001687602033
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001884667269
                2s
                   +0 :              -0.00016456872963
                3s
                   +0 :               0.00004470409549
                2p
                   -1 :               0.00000626191528
                   +0 :              -0.00005132739303
                   +1 :               0.00018212969682
                3p
                   -1 :              -0.00000065061224
                   +0 :               0.00004578868319
                   +1 :              -0.00007799571853
                3d
                   -2 :              -0.00000083543784
                   -1 :              -0.00000215849530
                   +0 :               0.00000431108969
                   +1 :              -0.00000428929227
                   +2 :              -0.00000024033594
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000464977093
                2s
                   +0 :               0.00005559132266
                3s
                   +0 :              -0.00000337227853
                2p
                   -1 :               0.00002470396811
                   +0 :               0.00001973607706
                   +1 :              -0.00006409383691
                3p
                   -1 :               0.00002295151538
                   +0 :              -0.00000781014409
                   +1 :               0.00002566885394
                3d
                   -2 :              -0.00000281011309
                   -1 :              -0.00000045467494
                   +0 :              -0.00000056885518
                   +1 :               0.00000010307080
                   +2 :              -0.00000498187848
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000606849807
                2s
                   +0 :              -0.00012706156710
                3s
                   +0 :               0.00000166831858
                2p
                   -1 :               0.00015445003839
                   +0 :               0.00004638700447
                   +1 :               0.00002135036411
                3p
                   -1 :              -0.00000938646110
                   +0 :              -0.00003112788825
                   +1 :              -0.00001408643030
                3d
                   -2 :               0.00000037003619
                   -1 :               0.00000336031896
                   +0 :               0.00000158566627
                   +1 :              -0.00000297313742
                   +2 :              -0.00000225407110
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002509815691
                2s
                   +0 :               0.00026064480835
                3s
                   +0 :              -0.00005745939628
                2p
                   -1 :               0.00020368469671
                   +0 :              -0.00000760578049
                   +1 :              -0.00005026068198
                3p
                   -1 :              -0.00003823605499
                   +0 :               0.00000776395354
                   +1 :               0.00003421163554
                3d
                   -2 :               0.00000141780028
                   -1 :               0.00000462065090
                   +0 :              -0.00000097051311
                   +1 :               0.00000388446349
                   +2 :              -0.00000025422070
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000636069132
                2s
                   +0 :              -0.00006055027436
                3s
                   +0 :               0.00000383747654
                2p
                   -1 :               0.00004848604676
                   +0 :              -0.00002355675506
                   +1 :              -0.00000309515025
                3p
                   -1 :              -0.00000426150027
                   +0 :               0.00001953177615
                   +1 :              -0.00002347849794
                3d
                   -2 :              -0.00000074820296
                   -1 :              -0.00000257174204
                   +0 :              -0.00000189844009
                   +1 :               0.00000345640891
                   +2 :               0.00000170454459
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000301676990
                2s
                   +0 :               0.00005571278711
                3s
                   +0 :               0.00000228887437
                2p
                   -1 :              -0.00000574754356
                   +0 :               0.00001994663910
                   +1 :               0.00002971456719
                3p
                   -1 :               0.00000983068683
                   +0 :              -0.00001746095269
                   +1 :               0.00003749349402
                3d
                   -2 :              -0.00000059801314
                   -1 :              -0.00000059240361
                   +0 :              -0.00000355571426
                   +1 :              -0.00000344199661
                   +2 :               0.00000309128312
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 26)  npairs=  12
              1 vec=    -4.767165     -0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00102298109914
                2s
                   +0 :              -0.00287737129698
                3s
                   +0 :               0.00206623730198
                2p
                   -1 :              -0.01167048821130
                   +0 :              -0.00180184004743
                   +1 :              -0.00547927562087
                3p
                   -1 :               0.00040280224993
                   +0 :               0.00012345061922
                   +1 :               0.00271265775471
                3d
                   -2 :               0.00122557630547
                   -1 :              -0.00008389893568
                   +0 :               0.00073350699336
                   +1 :               0.00000467266963
                   +2 :              -0.00007635670176
              2 vec=     3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00002474518288
                2s
                   +0 :              -0.03707069906858
                3s
                   +0 :              -0.00479649664876
                2p
                   -1 :               0.02018667887076
                   +0 :               0.00537567497482
                   +1 :              -0.01699700124760
                3p
                   -1 :               0.00592817090151
                   +0 :              -0.00609286735105
                   +1 :              -0.00740618013128
                3d
                   -2 :               0.00322309438883
                   -1 :               0.00085116959308
                   +0 :               0.00176470825333
                   +1 :              -0.00035217914954
                   +2 :               0.00094806289255
              3 vec=     3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00232390269684
                2s
                   +0 :               0.04768474238068
                3s
                   +0 :              -0.00359073038721
                2p
                   -1 :               0.02532739790949
                   +0 :               0.00171493307487
                   +1 :               0.02067299971929
                3p
                   -1 :               0.00132626971684
                   +0 :              -0.00198770441648
                   +1 :              -0.00221408866880
                3d
                   -2 :               0.00207180091805
                   -1 :              -0.00082732902310
                   +0 :              -0.00121532721134
                   +1 :               0.00049512680261
                   +2 :              -0.00087490899433
              4 vec=    -4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00094349080320
                2s
                   +0 :              -0.00800510135871
                3s
                   +0 :               0.00198283835104
                2p
                   -1 :               0.00541696931771
                   +0 :              -0.00020662441337
                   +1 :               0.00637954474930
                3p
                   -1 :               0.00005337159501
                   +0 :              -0.00004053214623
                   +1 :              -0.00239472520708
                3d
                   -2 :              -0.00026675607844
                   -1 :               0.00020376797790
                   +0 :               0.00041607662280
                   +1 :              -0.00000444859389
                   +2 :               0.00034478643976
              5 vec=    -4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00043752704647
                2s
                   +0 :               0.00529971622394
                3s
                   +0 :              -0.00036691608723
                2p
                   -1 :               0.00698912086846
                   +0 :              -0.00046283515555
                   +1 :              -0.00271070319971
                3p
                   -1 :              -0.00090034280287
                   +0 :               0.00016524638928
                   +1 :               0.00035379796980
                3d
                   -2 :              -0.00027606888187
                   -1 :              -0.00006269245060
                   +0 :              -0.00011449207134
                   +1 :               0.00004318848388
                   +2 :              -0.00018288448709
              6 vec=    10.793160      0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00023910075503
                2s
                   +0 :               0.00123085031821
                3s
                   +0 :              -0.00080580755188
                2p
                   -1 :              -0.00123107333818
                   +0 :              -0.00062187131694
                   +1 :               0.00074275123269
                3p
                   -1 :               0.00060194517709
                   +0 :               0.00055965615395
                   +1 :              -0.00069392713434
                3d
                   -2 :              -0.00002376887583
                   -1 :               0.00006522950554
                   +0 :               0.00003765680046
                   +1 :               0.00002875136798
                   +2 :              -0.00008442171058
              7 vec=   -12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00006125329754
                2s
                   +0 :               0.00020704673962
                3s
                   +0 :              -0.00018929553207
                2p
                   -1 :              -0.00008151098309
                   +0 :              -0.00016485345492
                   +1 :               0.00016138589969
                3p
                   -1 :               0.00007589800505
                   +0 :               0.00015924869191
                   +1 :              -0.00003021414550
                3d
                   -2 :              -0.00000216786027
                   -1 :              -0.00000892180876
                   +0 :              -0.00001975527502
                   +1 :              -0.00001004820211
                   +2 :               0.00000063277737
              8 vec=   -12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00003537167893
                2s
                   +0 :               0.00068419461535
                3s
                   +0 :              -0.00001658084640
                2p
                   -1 :               0.00020044164161
                   +0 :              -0.00004267896795
                   +1 :              -0.00020408648209
                3p
                   -1 :              -0.00017643663985
                   +0 :               0.00001894602918
                   +1 :              -0.00028172659336
                3d
                   -2 :              -0.00000574673061
                   -1 :              -0.00000698568976
                   +0 :              -0.00000888700233
                   +1 :              -0.00000077585195
                   +2 :               0.00005350762687
              9 vec=     3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00005347871416
                2s
                   +0 :              -0.00087509752227
                3s
                   +0 :               0.00012280888730
                2p
                   -1 :               0.00053525423827
                   +0 :              -0.00003978673842
                   +1 :               0.00044451522862
                3p
                   -1 :              -0.00004366118492
                   +0 :               0.00005926653321
                   +1 :              -0.00027599669177
                3d
                   -2 :               0.00001902186782
                   -1 :               0.00000983688582
                   +0 :               0.00001582751478
                   +1 :               0.00001146029311
                   +2 :               0.00000316278418
             10 vec=     3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00002995335936
                2s
                   +0 :               0.00061310314082
                3s
                   +0 :               0.00001598258991
                2p
                   -1 :               0.00047422088541
                   +0 :              -0.00009150886942
                   +1 :               0.00032273021681
                3p
                   -1 :               0.00003239208913
                   +0 :               0.00007551418179
                   +1 :              -0.00026962380663
                3d
                   -2 :              -0.00004475815348
                   -1 :              -0.00001027991482
                   +0 :              -0.00002626346079
                   +1 :               0.00000939742747
                   +2 :              -0.00001414244842
             11 vec=    10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00002473785366
                2s
                   +0 :               0.00003811279113
                3s
                   +0 :              -0.00005964651607
                2p
                   -1 :              -0.00004022557446
                   +0 :              -0.00015284317440
                   +1 :               0.00012340997539
                3p
                   -1 :              -0.00008677809783
                   +0 :               0.00014261190704
                   +1 :              -0.00009981815926
                3d
                   -2 :              -0.00002579781913
                   -1 :              -0.00000487194897
                   +0 :               0.00000134667128
                   +1 :               0.00000938131121
                   +2 :              -0.00000637955824
             12 vec=    10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00004662979408
                2s
                   +0 :               0.00056851621099
                3s
                   +0 :              -0.00009335624969
                2p
                   -1 :              -0.00006740780303
                   +0 :               0.00021645573375
                   +1 :               0.00058895157162
                3p
                   -1 :              -0.00006475550857
                   +0 :              -0.00017960207235
                   +1 :              -0.00025113028470
                3d
                   -2 :              -0.00002800140578
                   -1 :              -0.00001103579048
                   +0 :               0.00000799397700
                   +1 :               0.00000323503770
                   +2 :              -0.00000149266847
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 27)  npairs=  12
              1 vec=    -2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00493578910233
                2s
                   +0 :               0.10144166403694
                3s
                   +0 :              -0.01148729885499
                2p
                   -1 :               0.05077278980424
                   +0 :               0.00262721198187
                   +1 :              -0.02878829082773
                3p
                   -1 :              -0.00748172658880
                   +0 :              -0.00319256602727
                   +1 :               0.00090370614667
                3d
                   -2 :              -0.00356584265044
                   -1 :              -0.00056853573332
                   +0 :              -0.00244225696358
                   +1 :              -0.00068437410182
                   +2 :              -0.00008802196750
              2 vec=    -2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00101934084926
                2s
                   +0 :              -0.04692554213395
                3s
                   +0 :              -0.00233179939628
                2p
                   -1 :               0.03081244288851
                   +0 :               0.00305956125115
                   +1 :               0.01779167679489
                3p
                   -1 :               0.00267044019717
                   +0 :              -0.00368328550544
                   +1 :               0.00388559830339
                3d
                   -2 :              -0.00281467848071
                   -1 :              -0.00011506664512
                   +0 :               0.00166437987463
                   +1 :               0.00126339093607
                   +2 :               0.00143433694265
              3 vec=     5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00138365524585
                2s
                   +0 :              -0.00787079139071
                3s
                   +0 :               0.00498303565298
                2p
                   -1 :              -0.00418510872728
                   +0 :               0.00484087075568
                   +1 :              -0.00703969226219
                3p
                   -1 :              -0.00102123815845
                   +0 :              -0.00457913992353
                   +1 :               0.00643412476825
                3d
                   -2 :              -0.00086004844292
                   -1 :              -0.00013387186355
                   +0 :              -0.00023107931512
                   +1 :              -0.00003355364027
                   +2 :               0.00048647375742
              4 vec=   -10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00001077276644
                2s
                   +0 :              -0.00032151969680
                3s
                   +0 :               0.00011024768663
                2p
                   -1 :              -0.00023222602777
                   +0 :              -0.00010108203409
                   +1 :               0.00031761850071
                3p
                   -1 :              -0.00011981376552
                   +0 :               0.00014608531546
                   +1 :              -0.00065088009865
                3d
                   -2 :              -0.00000797543952
                   -1 :              -0.00004176858401
                   +0 :              -0.00011428039186
                   +1 :              -0.00003423510347
                   +2 :               0.00008994520855
              5 vec=     5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00069451792332
                2s
                   +0 :               0.00639807093493
                3s
                   +0 :              -0.00145318909705
                2p
                   -1 :               0.00646369118058
                   +0 :              -0.00026537600203
                   +1 :               0.00203146490316
                3p
                   -1 :              -0.00171846424469
                   +0 :               0.00011009075868
                   +1 :               0.00047822632354
                3d
                   -2 :               0.00026757513587
                   -1 :              -0.00006362982081
                   +0 :              -0.00016589557148
                   +1 :              -0.00014029524911
                   +2 :              -0.00001949648222
              6 vec=     5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00096446749182
                2s
                   +0 :              -0.00764934394081
                3s
                   +0 :               0.00255840131284
                2p
                   -1 :               0.00570223357879
                   +0 :              -0.00184520145119
                   +1 :              -0.00408086928180
                3p
                   -1 :              -0.00191160539703
                   +0 :               0.00173350967567
                   +1 :               0.00170507355217
                3d
                   -2 :              -0.00001074825118
                   -1 :              -0.00007906574643
                   +0 :               0.00004309460053
                   +1 :               0.00004660666414
                   +2 :               0.00004891512797
              7 vec=   -10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00000185481783
                2s
                   +0 :               0.00020519286244
                3s
                   +0 :               0.00005141548019
                2p
                   -1 :              -0.00036109459503
                   +0 :              -0.00015266806384
                   +1 :              -0.00006289865167
                3p
                   -1 :               0.00013124195935
                   +0 :               0.00012008940218
                   +1 :              -0.00003210134184
                3d
                   -2 :               0.00003218734444
                   -1 :              -0.00000253250385
                   +0 :              -0.00001856920686
                   +1 :               0.00000012016932
                   +2 :              -0.00001939331564
              8 vec=    -2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00004328618442
                2s
                   +0 :               0.00084804484005
                3s
                   +0 :               0.00004476435818
                2p
                   -1 :               0.00003052582608
                   +0 :              -0.00001744159452
                   +1 :               0.00037165832177
                3p
                   -1 :               0.00027621438963
                   +0 :              -0.00000671170139
                   +1 :              -0.00002898513702
                3d
                   -2 :               0.00003190210182
                   -1 :              -0.00000477925502
                   +0 :              -0.00000959020819
                   +1 :              -0.00000508039533
                   +2 :               0.00001224643829
              9 vec=   -10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00003362806786
                2s
                   +0 :               0.00002397210700
                3s
                   +0 :              -0.00014326667794
                2p
                   -1 :              -0.00025483136484
                   +0 :              -0.00010156944080
                   +1 :               0.00013174617596
                3p
                   -1 :               0.00000390289848
                   +0 :               0.00009424152152
                   +1 :               0.00017504657877
                3d
                   -2 :               0.00002350441690
                   -1 :               0.00000326819583
                   +0 :               0.00003885324990
                   +1 :               0.00000330469724
                   +2 :              -0.00005350818048
             10 vec=    13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00001973954224
                2s
                   +0 :               0.00031926172156
                3s
                   +0 :              -0.00003943497120
                2p
                   -1 :               0.00012371156783
                   +0 :               0.00000080529228
                   +1 :               0.00023338082633
                3p
                   -1 :              -0.00020137626971
                   +0 :              -0.00000381077287
                   +1 :               0.00006786428131
                3d
                   -2 :              -0.00001415068176
                   -1 :              -0.00000703551936
                   +0 :              -0.00001979960652
                   +1 :              -0.00001021967528
                   +2 :               0.00004582602694
             11 vec=    -2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00011595766809
                2s
                   +0 :              -0.00113616370280
                3s
                   +0 :               0.00028833002944
                2p
                   -1 :               0.00076925927791
                   +0 :               0.00025748468228
                   +1 :              -0.00050264757861
                3p
                   -1 :              -0.00038970281236
                   +0 :              -0.00021413325785
                   +1 :               0.00021384010712
                3d
                   -2 :               0.00001087619425
                   -1 :               0.00000191135643
                   +0 :              -0.00001893297183
                   +1 :               0.00000224782492
                   +2 :              -0.00003385459674
             12 vec=    13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00006326563678
                2s
                   +0 :              -0.00067317409857
                3s
                   +0 :               0.00016315262755
                2p
                   -1 :               0.00011401285518
                   +0 :              -0.00000632936222
                   +1 :              -0.00040844767359
                3p
                   -1 :              -0.00005460167230
                   +0 :               0.00002213482159
                   +1 :              -0.00001123370812
                3d
                   -2 :              -0.00000348304837
                   -1 :               0.00000089930546
                   +0 :               0.00000767221094
                   +1 :               0.00001034432643
                   +2 :              -0.00002426321167
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 28)  npairs=  18
              1 vec=     3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00009807960193
                2s
                   +0 :               0.00070143679019
                3s
                   +0 :              -0.00039892879895
                2p
                   -1 :               0.00014128578312
                   +0 :              -0.00066635116951
                   +1 :               0.00015736243045
                3p
                   -1 :              -0.00008964552496
                   +0 :               0.00058556166331
                   +1 :              -0.00004106234097
                3d
                   -2 :              -0.00001261602076
                   -1 :               0.00000617272776
                   +0 :              -0.00003744330903
                   +1 :               0.00000495923099
                   +2 :              -0.00000288112372
              2 vec=     3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00001506515859
                2s
                   +0 :              -0.00024578702864
                3s
                   +0 :               0.00002118685156
                2p
                   -1 :               0.00006303391345
                   +0 :              -0.00039730510692
                   +1 :               0.00023030981645
                3p
                   -1 :              -0.00003366177332
                   +0 :               0.00030148168084
                   +1 :              -0.00022184220304
                3d
                   -2 :               0.00002434682965
                   -1 :               0.00000309307080
                   +0 :               0.00003024133530
                   +1 :              -0.00000816858072
                   +2 :               0.00001448308953
              3 vec=    -4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00008085720277
                2s
                   +0 :               0.00044097781400
                3s
                   +0 :              -0.00022296846754
                2p
                   -1 :              -0.00013713758171
                   +0 :              -0.00036347082200
                   +1 :              -0.00021100462593
                3p
                   -1 :              -0.00018100128803
                   +0 :               0.00025899214594
                   +1 :              -0.00007272843824
                3d
                   -2 :               0.00002413398374
                   -1 :               0.00005497618566
                   +0 :              -0.00002140023484
                   +1 :               0.00003449749528
                   +2 :               0.00000356157959
              4 vec=    -4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00003662888851
                2s
                   +0 :              -0.00001319244674
                3s
                   +0 :               0.00016687416301
                2p
                   -1 :              -0.00060380382622
                   +0 :               0.00009449410818
                   +1 :               0.00003309990998
                3p
                   -1 :               0.00019836458642
                   +0 :               0.00009715446703
                   +1 :              -0.00017840966982
                3d
                   -2 :               0.00000869076676
                   -1 :              -0.00001135656013
                   +0 :               0.00001857673626
                   +1 :              -0.00002938411286
                   +2 :               0.00000121476656
              5 vec=    -4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00002662990521
                2s
                   +0 :              -0.00021156835599
                3s
                   +0 :               0.00009368109206
                2p
                   -1 :              -0.00024251469238
                   +0 :               0.00015732991324
                   +1 :               0.00033532316929
                3p
                   -1 :               0.00018379008237
                   +0 :              -0.00011362527837
                   +1 :              -0.00019948349453
                3d
                   -2 :              -0.00000657060311
                   -1 :              -0.00000749333401
                   +0 :               0.00002384938762
                   +1 :               0.00000602159504
                   +2 :              -0.00000054098053
              6 vec=    -4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000071785225
                2s
                   +0 :              -0.00023374055656
                3s
                   +0 :              -0.00002706912713
                2p
                   -1 :              -0.00027235668419
                   +0 :              -0.00002124158916
                   +1 :               0.00024588171517
                3p
                   -1 :               0.00024174456871
                   +0 :              -0.00014784570256
                   +1 :              -0.00003604705933
                3d
                   -2 :              -0.00002479574788
                   -1 :               0.00000702854146
                   +0 :              -0.00001261091915
                   +1 :               0.00001530689549
                   +2 :              -0.00000341004255
              7 vec=     3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005604005016
                2s
                   +0 :               0.00087349332551
                3s
                   +0 :              -0.00007185572211
                2p
                   -1 :               0.00019235955054
                   +0 :              -0.00058453609223
                   +1 :              -0.00011981896929
                3p
                   -1 :               0.00006992600323
                   +0 :              -0.00002247706872
                   +1 :               0.00011616537475
                3d
                   -2 :               0.00000395994579
                   -1 :              -0.00002361681536
                   +0 :               0.00002982061493
                   +1 :              -0.00000795283770
                   +2 :              -0.00002951618751
              8 vec=     3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000595759447
                2s
                   +0 :               0.00018397519398
                3s
                   +0 :              -0.00003058625205
                2p
                   -1 :               0.00018060860779
                   +0 :               0.00012086013502
                   +1 :               0.00017343718602
                3p
                   -1 :              -0.00006688082671
                   +0 :               0.00002607947947
                   +1 :              -0.00020689762851
                3d
                   -2 :              -0.00001247903365
                   -1 :               0.00000069004489
                   +0 :              -0.00000772256365
                   +1 :              -0.00002534857121
                   +2 :               0.00000004867431
              9 vec=     3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000854957625
                2s
                   +0 :               0.00002005533787
                3s
                   +0 :              -0.00003412729845
                2p
                   -1 :              -0.00003306303270
                   +0 :              -0.00001586770980
                   +1 :               0.00011580939387
                3p
                   -1 :               0.00005140020677
                   +0 :               0.00005396831168
                   +1 :              -0.00009690251635
                3d
                   -2 :               0.00000760583734
                   -1 :               0.00000257588763
                   +0 :              -0.00000099483092
                   +1 :               0.00001128770299
                   +2 :              -0.00000230413976
             10 vec=     3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000222515484
                2s
                   +0 :              -0.00006448440439
                3s
                   +0 :               0.00000877342924
                2p
                   -1 :              -0.00021825550192
                   +0 :               0.00001530349419
                   +1 :               0.00007934831307
                3p
                   -1 :               0.00022394336995
                   +0 :              -0.00007358835214
                   +1 :              -0.00010216492380
                3d
                   -2 :               0.00000459388475
                   -1 :               0.00001278117303
                   +0 :               0.00000174095056
                   +1 :              -0.00001270606815
                   +2 :              -0.00000547759849
             11 vec=    10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002356165959
                2s
                   +0 :              -0.00013542608511
                3s
                   +0 :               0.00009690916125
                2p
                   -1 :              -0.00001315949309
                   +0 :               0.00007974746895
                   +1 :              -0.00016914741410
                3p
                   -1 :              -0.00000645345195
                   +0 :              -0.00008665283486
                   +1 :               0.00016989353123
                3d
                   -2 :               0.00000056535383
                   -1 :              -0.00000147685512
                   +0 :               0.00000562061165
                   +1 :              -0.00001056528184
                   +2 :               0.00001300439022
             12 vec=    10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000277570738
                2s
                   +0 :               0.00000721492413
                3s
                   +0 :               0.00001256608224
                2p
                   -1 :               0.00006337748656
                   +0 :              -0.00012395675891
                   +1 :              -0.00001572169955
                3p
                   -1 :              -0.00005974740276
                   +0 :               0.00010160796847
                   +1 :               0.00005894092132
                3d
                   -2 :              -0.00000323951230
                   -1 :              -0.00000656641004
                   +0 :               0.00000322174365
                   +1 :              -0.00000264823954
                   +2 :               0.00000002698952
             13 vec=    10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001266195469
                2s
                   +0 :              -0.00011921789551
                3s
                   +0 :               0.00002738578218
                2p
                   -1 :              -0.00003911305650
                   +0 :               0.00003618890019
                   +1 :              -0.00010080426545
                3p
                   -1 :               0.00006063836115
                   +0 :               0.00001850659276
                   +1 :               0.00004607573659
                3d
                   -2 :               0.00000394767143
                   -1 :              -0.00000238960097
                   +0 :              -0.00000321864347
                   +1 :              -0.00000143555654
                   +2 :               0.00000050800780
             14 vec=    10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000590169155
                2s
                   +0 :              -0.00007014777748
                3s
                   +0 :               0.00001198488102
                2p
                   -1 :               0.00002358418683
                   +0 :              -0.00002709520606
                   +1 :              -0.00000502173801
                3p
                   -1 :               0.00000427629785
                   +0 :              -0.00000764671382
                   +1 :              -0.00002868236914
                3d
                   -2 :               0.00000319566131
                   -1 :               0.00000525418352
                   +0 :              -0.00000601199657
                   +1 :               0.00000063125730
                   +2 :              -0.00000260109771
             15 vec=   -12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001368192911
                2s
                   +0 :               0.00009448441966
                3s
                   +0 :              -0.00005206441640
                2p
                   -1 :              -0.00004448914254
                   +0 :              -0.00009426210617
                   +1 :              -0.00006387066442
                3p
                   -1 :               0.00001915630097
                   +0 :               0.00006285605916
                   +1 :               0.00004981638802
                3d
                   -2 :              -0.00000742258948
                   -1 :              -0.00000175365183
                   +0 :              -0.00000475368275
                   +1 :              -0.00001004207716
                   +2 :              -0.00000864062446
             16 vec=   -12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001762893611
                2s
                   +0 :               0.00011328634430
                3s
                   +0 :              -0.00005261087971
                2p
                   -1 :              -0.00001063156135
                   +0 :               0.00005538689347
                   +1 :              -0.00000854457493
                3p
                   -1 :               0.00001254176303
                   +0 :              -0.00002473853139
                   +1 :              -0.00001017431294
                3d
                   -2 :               0.00000251032520
                   -1 :              -0.00000110501612
                   +0 :              -0.00000084070294
                   +1 :               0.00000056958842
                   +2 :               0.00000007211393
             17 vec=    -4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000330514113
                2s
                   +0 :               0.00005394643285
                3s
                   +0 :               0.00000178593123
                2p
                   -1 :               0.00009556252964
                   +0 :              -0.00002734486743
                   +1 :              -0.00000048372481
                3p
                   -1 :              -0.00004872796594
                   +0 :              -0.00000054098508
                   +1 :              -0.00000358732832
                3d
                   -2 :               0.00000203428968
                   -1 :               0.00000289099846
                   +0 :               0.00000202494999
                   +1 :              -0.00000199570997
                   +2 :              -0.00000067550244
             18 vec=    -4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001353433709
                2s
                   +0 :               0.00010599056043
                3s
                   +0 :              -0.00004012208930
                2p
                   -1 :               0.00007718832989
                   +0 :               0.00000548247252
                   +1 :              -0.00009383722791
                3p
                   -1 :              -0.00005782832141
                   +0 :               0.00001856515147
                   +1 :               0.00006816104152
                3d
                   -2 :               0.00000382870770
                   -1 :              -0.00000053765859
                   +0 :              -0.00000065598636
                   +1 :               0.00000350518364
                   +2 :               0.00000079624264
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 29)  npairs=  14
              1 vec=     0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00001394324010
                2s
                   +0 :               0.00034995520481
                3s
                   +0 :              -0.00003006366045
                2p
                   -1 :              -0.00016655710552
                   +0 :              -0.00004501825786
                   +1 :              -0.00002282119181
                3p
                   -1 :               0.00000451885821
                   +0 :              -0.00000992020799
                   +1 :              -0.00001362598010
                3d
                   -2 :               0.00001219132738
                   -1 :               0.00001733199465
                   +0 :               0.00000675155853
                   +1 :               0.00000067518297
                   +2 :              -0.00000361426836
              2 vec=     0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004410246855
                2s
                   +0 :               0.00016292573679
                3s
                   +0 :              -0.00019134786343
                2p
                   -1 :               0.00001235700156
                   +0 :               0.00019949797168
                   +1 :              -0.00025588443562
                3p
                   -1 :              -0.00015254715452
                   +0 :              -0.00027983542387
                   +1 :               0.00018166018662
                3d
                   -2 :               0.00001239637929
                   -1 :              -0.00001358083285
                   +0 :              -0.00004648959392
                   +1 :              -0.00000827782352
                   +2 :               0.00001971722021
              3 vec=     0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000875187217
                2s
                   +0 :              -0.00030042763743
                3s
                   +0 :              -0.00013302809533
                2p
                   -1 :               0.00002936325034
                   +0 :              -0.00000045014565
                   +1 :              -0.00025875799833
                3p
                   -1 :               0.00004051122518
                   +0 :               0.00034823916690
                   +1 :               0.00016733176851
                3d
                   -2 :              -0.00000234776992
                   -1 :              -0.00003084927204
                   +0 :              -0.00005740869703
                   +1 :               0.00000529028609
                   +2 :               0.00000095836940
              4 vec=     0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00005231026455
                2s
                   +0 :              -0.00060816200352
                3s
                   +0 :               0.00012112368833
                2p
                   -1 :               0.00018441168832
                   +0 :              -0.00027551425558
                   +1 :               0.00006293244413
                3p
                   -1 :              -0.00012303569551
                   +0 :               0.00002384983483
                   +1 :              -0.00005689918002
                3d
                   -2 :               0.00001369513758
                   -1 :              -0.00000265740863
                   +0 :              -0.00001450912236
                   +1 :              -0.00000854135716
                   +2 :               0.00001283403068
              5 vec=    -7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00002312030146
                2s
                   +0 :              -0.00023108000832
                3s
                   +0 :               0.00004129489469
                2p
                   -1 :               0.00023037927841
                   +0 :               0.00010166406432
                   +1 :              -0.00001253932778
                3p
                   -1 :              -0.00012459608373
                   +0 :               0.00001334033829
                   +1 :               0.00004046349874
                3d
                   -2 :              -0.00000916586406
                   -1 :              -0.00001370411939
                   +0 :              -0.00000206234872
                   +1 :               0.00000181729048
                   +2 :              -0.00000781152362
              6 vec=    -7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003930118668
                2s
                   +0 :              -0.00026005540786
                3s
                   +0 :               0.00010381911429
                2p
                   -1 :               0.00014626530860
                   +0 :              -0.00015689430708
                   +1 :               0.00037863088011
                3p
                   -1 :              -0.00004603775185
                   +0 :               0.00005225129310
                   +1 :              -0.00024057201829
                3d
                   -2 :               0.00001337918099
                   -1 :               0.00001627128296
                   +0 :              -0.00001030535909
                   +1 :              -0.00001187173327
                   +2 :               0.00000233540202
              7 vec=     7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000112010781
                2s
                   +0 :              -0.00016266885909
                3s
                   +0 :              -0.00001896561181
                2p
                   -1 :              -0.00004186300881
                   +0 :              -0.00008523937749
                   +1 :               0.00008136030153
                3p
                   -1 :               0.00009797390393
                   +0 :               0.00025216035065
                   +1 :              -0.00009894979226
                3d
                   -2 :               0.00000662154485
                   -1 :              -0.00002609109440
                   +0 :              -0.00001894030491
                   +1 :               0.00001770432658
                   +2 :              -0.00002048693818
              8 vec=     7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002395105285
                2s
                   +0 :              -0.00018611864157
                3s
                   +0 :               0.00006490753024
                2p
                   -1 :              -0.00005437256815
                   +0 :              -0.00010244647915
                   +1 :              -0.00013964871680
                3p
                   -1 :               0.00005640899137
                   +0 :              -0.00005031337829
                   +1 :               0.00007996431006
                3d
                   -2 :               0.00000894746384
                   -1 :               0.00000997176733
                   +0 :               0.00000019168906
                   +1 :               0.00001121551721
                   +2 :               0.00000544775983
              9 vec=    -7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001464768798
                2s
                   +0 :               0.00009681801542
                3s
                   +0 :              -0.00002244889118
                2p
                   -1 :               0.00000450307934
                   +0 :              -0.00002139099509
                   +1 :              -0.00002843515571
                3p
                   -1 :              -0.00002105633002
                   +0 :              -0.00002933666141
                   +1 :              -0.00002134219230
                3d
                   -2 :               0.00000012521274
                   -1 :              -0.00000127766444
                   +0 :               0.00000915492226
                   +1 :               0.00000457134696
                   +2 :              -0.00000665364623
             10 vec=    -7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001420303111
                2s
                   +0 :               0.00009043090945
                3s
                   +0 :              -0.00001814486343
                2p
                   -1 :              -0.00003238721137
                   +0 :              -0.00006073954756
                   +1 :              -0.00024814072035
                3p
                   -1 :               0.00003105414164
                   +0 :               0.00010108231053
                   +1 :               0.00016858375486
                3d
                   -2 :               0.00000509545837
                   -1 :               0.00000785544448
                   +0 :               0.00001575669392
                   +1 :               0.00000889555736
                   +2 :              -0.00000152303068
             11 vec=     7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002777732574
                2s
                   +0 :               0.00018995094624
                3s
                   +0 :              -0.00009339380358
                2p
                   -1 :              -0.00001404618153
                   +0 :              -0.00023253734395
                   +1 :               0.00009045736282
                3p
                   -1 :               0.00002158793477
                   +0 :               0.00014031807078
                   +1 :              -0.00006547443252
                3d
                   -2 :              -0.00000650450993
                   -1 :               0.00000720382834
                   +0 :              -0.00000531295896
                   +1 :               0.00000827681568
                   +2 :               0.00000602657362
             12 vec=     7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001006463865
                2s
                   +0 :              -0.00004407426336
                3s
                   +0 :               0.00003319757236
                2p
                   -1 :              -0.00005477716884
                   +0 :              -0.00007823635409
                   +1 :              -0.00002876783105
                3p
                   -1 :               0.00003113701532
                   +0 :               0.00011143741835
                   +1 :               0.00002617115469
                3d
                   -2 :              -0.00000959309919
                   -1 :              -0.00000179653449
                   +0 :               0.00000601536948
                   +1 :               0.00000323367832
                   +2 :               0.00000305734579
             13 vec=     0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001436096713
                2s
                   +0 :               0.00015092016000
                3s
                   +0 :              -0.00001181669090
                2p
                   -1 :               0.00009676372896
                   +0 :              -0.00006066999160
                   +1 :               0.00000167012419
                3p
                   -1 :               0.00001142376324
                   +0 :              -0.00002149898603
                   +1 :              -0.00001779785725
                3d
                   -2 :              -0.00000441178833
                   -1 :              -0.00000169010451
                   +0 :               0.00000134181843
                   +1 :               0.00000316823388
                   +2 :              -0.00000171481236
             14 vec=     0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001926218628
                2s
                   +0 :               0.00019987478269
                3s
                   +0 :              -0.00003537496491
                2p
                   -1 :               0.00014650442059
                   +0 :               0.00009258764078
                   +1 :               0.00005639964912
                3p
                   -1 :              -0.00000920687819
                   +0 :               0.00002414676255
                   +1 :              -0.00005146074313
                3d
                   -2 :              -0.00000193451885
                   -1 :               0.00000554035037
                   +0 :               0.00000340263224
                   +1 :              -0.00000154108653
                   +2 :              -0.00000717360420
WF             site_B          number of pairs
WF( 42)=[O_13_2py]  to site O ( 30)  npairs=  14
              1 vec=    -2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005906285152
                2s
                   +0 :               0.00048566921655
                3s
                   +0 :              -0.00027139682419
                2p
                   -1 :              -0.00010075855658
                   +0 :              -0.00034804670034
                   +1 :              -0.00011551963419
                3p
                   -1 :               0.00008762020828
                   +0 :               0.00029557198259
                   +1 :               0.00000228673257
                3d
                   -2 :               0.00001031045576
                   -1 :               0.00000682368083
                   +0 :              -0.00001863406437
                   +1 :              -0.00000872069110
                   +2 :              -0.00000335102886
              2 vec=    -2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008628055191
                2s
                   +0 :              -0.00076053699737
                3s
                   +0 :               0.00027232304241
                2p
                   -1 :               0.00023295172427
                   +0 :              -0.00060397700371
                   +1 :              -0.00035363515802
                3p
                   -1 :              -0.00021289981967
                   +0 :               0.00041845183801
                   +1 :               0.00031010930775
                3d
                   -2 :              -0.00001569352270
                   -1 :              -0.00002011799018
                   +0 :               0.00002822961382
                   +1 :               0.00001646095259
                   +2 :               0.00001798616911
              3 vec=     5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000285218518
                2s
                   +0 :               0.00019561114201
                3s
                   +0 :               0.00000633576890
                2p
                   -1 :              -0.00045363629817
                   +0 :              -0.00030817010173
                   +1 :               0.00057625053699
                3p
                   -1 :               0.00008017169137
                   +0 :               0.00006441754515
                   +1 :              -0.00022992006652
                3d
                   -2 :              -0.00000924840822
                   -1 :               0.00001413017505
                   +0 :               0.00000579122616
                   +1 :              -0.00001748810599
                   +2 :               0.00002357808302
              4 vec=     5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004191340490
                2s
                   +0 :               0.00067903768642
                3s
                   +0 :              -0.00011473737901
                2p
                   -1 :              -0.00063983617110
                   +0 :               0.00055111117172
                   +1 :               0.00026185474132
                3p
                   -1 :               0.00028136019779
                   +0 :              -0.00005313931895
                   +1 :               0.00004609730761
                3d
                   -2 :              -0.00001866449323
                   -1 :               0.00000143324963
                   +0 :              -0.00000072636346
                   +1 :               0.00003317399677
                   +2 :              -0.00000451467813
              5 vec=    -2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00007868953003
                2s
                   +0 :               0.00069397478144
                3s
                   +0 :              -0.00015140031209
                2p
                   -1 :               0.00022945419141
                   +0 :              -0.00042735646630
                   +1 :              -0.00010961600949
                3p
                   -1 :              -0.00005839388172
                   +0 :               0.00009032033941
                   +1 :               0.00008829807619
                3d
                   -2 :               0.00000848519789
                   -1 :              -0.00002066724184
                   +0 :               0.00001039601895
                   +1 :              -0.00001004331012
                   +2 :               0.00000418643822
              6 vec=    -2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00001689591763
                2s
                   +0 :               0.00028330881063
                3s
                   +0 :              -0.00004092752882
                2p
                   -1 :              -0.00006214915458
                   +0 :               0.00006340523183
                   +1 :               0.00010323280053
                3p
                   -1 :               0.00014298998508
                   +0 :               0.00008798255679
                   +1 :               0.00002533980604
                3d
                   -2 :               0.00001159731911
                   -1 :               0.00000956214286
                   +0 :               0.00000330028667
                   +1 :               0.00001699968569
                   +2 :              -0.00001506679202
              7 vec=     5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001804090196
                2s
                   +0 :              -0.00009728375771
                3s
                   +0 :               0.00004890021354
                2p
                   -1 :               0.00012734762711
                   +0 :               0.00013357270047
                   +1 :               0.00015112534589
                3p
                   -1 :              -0.00014092307415
                   +0 :              -0.00013482243935
                   +1 :              -0.00014744522589
                3d
                   -2 :              -0.00000370598645
                   -1 :               0.00001824489261
                   +0 :               0.00003403303472
                   +1 :               0.00000807587115
                   +2 :              -0.00000345566589
              8 vec=     5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00003452666138
                2s
                   +0 :              -0.00037133702406
                3s
                   +0 :               0.00007650313198
                2p
                   -1 :               0.00001216548678
                   +0 :              -0.00024742385845
                   +1 :              -0.00027382124204
                3p
                   -1 :              -0.00000673802091
                   +0 :               0.00013330719512
                   +1 :               0.00011210006405
                3d
                   -2 :              -0.00000353385929
                   -1 :              -0.00000175369216
                   +0 :               0.00001181824186
                   +1 :               0.00000090953293
                   +2 :               0.00000091604327
              9 vec=   -10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001896677968
                2s
                   +0 :              -0.00013239321304
                3s
                   +0 :               0.00007796790269
                2p
                   -1 :              -0.00011992424084
                   +0 :               0.00012385904069
                   +1 :               0.00002964656223
                3p
                   -1 :               0.00012231269071
                   +0 :              -0.00011101566171
                   +1 :              -0.00001321779224
                3d
                   -2 :              -0.00000927219355
                   -1 :              -0.00000506125442
                   +0 :               0.00000986369361
                   +1 :               0.00000288430321
                   +2 :              -0.00000764030986
             10 vec=   -10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002084653296
                2s
                   +0 :              -0.00013125974878
                3s
                   +0 :               0.00007537387135
                2p
                   -1 :              -0.00003143949043
                   +0 :              -0.00015410104806
                   +1 :               0.00008567523837
                3p
                   -1 :               0.00003126550731
                   +0 :               0.00011242353723
                   +1 :              -0.00008291884399
                3d
                   -2 :               0.00000994552987
                   -1 :              -0.00000794639157
                   +0 :               0.00000017077321
                   +1 :              -0.00000659443571
                   +2 :               0.00000488033726
             11 vec=    -2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000483985964
                2s
                   +0 :               0.00001229973565
                3s
                   +0 :              -0.00002077396302
                2p
                   -1 :               0.00007717960104
                   +0 :              -0.00017708774586
                   +1 :              -0.00026225607305
                3p
                   -1 :              -0.00005147580416
                   +0 :               0.00019940726353
                   +1 :               0.00024786254405
                3d
                   -2 :              -0.00001918034178
                   -1 :               0.00000572110698
                   +0 :              -0.00001271481340
                   +1 :              -0.00002776053598
                   +2 :              -0.00000184112322
             12 vec=    -2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001266097447
                2s
                   +0 :              -0.00013911341584
                3s
                   +0 :               0.00001142868114
                2p
                   -1 :               0.00005608577478
                   +0 :              -0.00016965467543
                   +1 :              -0.00007944762913
                3p
                   -1 :              -0.00001301773218
                   +0 :               0.00003834076189
                   +1 :               0.00007848239029
                3d
                   -2 :              -0.00000219600038
                   -1 :               0.00000462362986
                   +0 :              -0.00000882840726
                   +1 :               0.00000349515051
                   +2 :              -0.00000100341044
             13 vec=   -10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002369471254
                2s
                   +0 :              -0.00020146869011
                3s
                   +0 :               0.00007757974195
                2p
                   -1 :               0.00008758391367
                   +0 :               0.00017972421198
                   +1 :               0.00011661980039
                3p
                   -1 :              -0.00004854830603
                   +0 :              -0.00008687286996
                   +1 :              -0.00006105899945
                3d
                   -2 :              -0.00000420603756
                   -1 :               0.00000493658727
                   +0 :               0.00000562500940
                   +1 :              -0.00000198548289
                   +2 :              -0.00000220001852
             14 vec=   -10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000998452521
                2s
                   +0 :               0.00007029223923
                3s
                   +0 :              -0.00001274127531
                2p
                   -1 :               0.00002078044537
                   +0 :               0.00003023290720
                   +1 :              -0.00003771388218
                3p
                   -1 :              -0.00004237950198
                   +0 :              -0.00000706942957
                   +1 :               0.00002370708217
                3d
                   -2 :               0.00000531031790
                   -1 :              -0.00000494276989
                   +0 :               0.00000091419390
                   +1 :              -0.00000494410144
                   +2 :               0.00000175442226
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al(  1)  npairs=  15
              1 vec=     2.803193      1.376162     10.693237   |vec|=   11.139884
                2s
                   +0 :               0.00031351319731
                2p
                   -1 :               0.00011796387113
                   +0 :               0.00032631927820
                   +1 :               0.00048434059159
                3s
                   +0 :              -0.00037249975132
                4s
                   +0 :               0.00085258830042
                3p
                   -1 :              -0.00103930807485
                   +0 :              -0.00176956573545
                   +1 :              -0.00251908002846
                4p
                   -1 :               0.00009754139401
                   +0 :               0.00098555334232
                   +1 :               0.00044759470223
                3d
                   -2 :               0.00010186698844
                   -1 :              -0.00031554479224
                   +0 :              -0.00070162274065
                   +1 :              -0.00058560264882
                   +2 :               0.00000664598521
              2 vec=    -4.976970     -3.115717     10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00006228715548
                2p
                   -1 :              -0.00005036345792
                   +0 :               0.00001488705014
                   +1 :               0.00006323266590
                3s
                   +0 :               0.00061509566394
                4s
                   +0 :              -0.00017415593086
                3p
                   -1 :               0.00012533287543
                   +0 :               0.00061355721604
                   +1 :              -0.00105388340833
                4p
                   -1 :               0.00004694479462
                   +0 :              -0.00012903387772
                   +1 :               0.00005795198215
                3d
                   -2 :              -0.00062671568379
                   -1 :               0.00026780952039
                   +0 :               0.00016614118616
                   +1 :              -0.00002488461572
                   +2 :              -0.00007889941100
              3 vec=    -4.976970      5.868041     10.693237   |vec|=   13.173817
                2s
                   +0 :              -0.00015857753374
                2p
                   -1 :              -0.00000550971163
                   +0 :               0.00002366153408
                   +1 :              -0.00024765623619
                3s
                   +0 :               0.00214941055448
                4s
                   +0 :              -0.00029071497679
                3p
                   -1 :               0.00078186703355
                   +0 :               0.00093124026384
                   +1 :               0.00019061360478
                4p
                   -1 :              -0.00006456866273
                   +0 :              -0.00005734029889
                   +1 :              -0.00021455184343
                3d
                   -2 :              -0.00022087520900
                   -1 :               0.00023477518918
                   +0 :               0.00019847785587
                   +1 :              -0.00006613054598
                   +2 :               0.00004478537472
              4 vec=     2.803193     -7.607596     10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00024333755225
                2p
                   -1 :              -0.00001983741437
                   +0 :               0.00006538760422
                   +1 :               0.00001789535009
                3s
                   +0 :               0.00244106003356
                4s
                   +0 :              -0.00031238288856
                3p
                   -1 :              -0.00125567565680
                   +0 :               0.00066766298353
                   +1 :               0.00004877176353
                4p
                   -1 :               0.00004690953115
                   +0 :               0.00005125492927
                   +1 :              -0.00007793981086
                3d
                   -2 :              -0.00001964426993
                   -1 :              -0.00044222502990
                   +0 :               0.00006205402022
                   +1 :              -0.00006407585411
                   +2 :              -0.00035014199116
              5 vec=     2.803193      1.376162    -13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00000101231413
                2p
                   -1 :              -0.00009993328828
                   +0 :              -0.00001268446175
                   +1 :              -0.00003517298091
                3s
                   +0 :              -0.00011629156166
                4s
                   +0 :               0.00006948878816
                3p
                   -1 :               0.00045321895923
                   +0 :              -0.00001050109075
                   +1 :               0.00023452855341
                4p
                   -1 :              -0.00007857018893
                   +0 :              -0.00000703805225
                   +1 :              -0.00003607745776
                3d
                   -2 :               0.00004052419645
                   -1 :              -0.00010338964474
                   +0 :               0.00002044063193
                   +1 :              -0.00000216833192
                   +2 :              -0.00007966536870
              6 vec=    -4.976970     -3.115717    -13.854306   |vec|=   15.047249
                2s
                   +0 :               0.00015819782929
                2p
                   -1 :              -0.00006871812711
                   +0 :              -0.00002036923777
                   +1 :              -0.00011670393179
                3s
                   +0 :              -0.00042201477672
                4s
                   +0 :               0.00007347875419
                3p
                   -1 :               0.00016577035166
                   +0 :               0.00000480691065
                   +1 :               0.00039958703493
                4p
                   -1 :               0.00001520311325
                   +0 :              -0.00000964917570
                   +1 :              -0.00005490843284
                3d
                   -2 :              -0.00010952624563
                   -1 :              -0.00002512099570
                   +0 :               0.00007232248463
                   +1 :               0.00000279510328
                   +2 :              -0.00008271682626
              7 vec=     2.803193     10.359920     10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00011661022363
                2p
                   -1 :              -0.00000400218792
                   +0 :               0.00003973892859
                   +1 :              -0.00002249803644
                3s
                   +0 :              -0.00021667838310
                4s
                   +0 :               0.00000136894925
                3p
                   -1 :               0.00012342825169
                   +0 :              -0.00022579875828
                   +1 :               0.00009297792577
                4p
                   -1 :              -0.00010674074999
                   +0 :               0.00002885408516
                   +1 :               0.00000693547743
                3d
                   -2 :              -0.00003507081239
                   -1 :              -0.00001810398999
                   +0 :              -0.00004241583469
                   +1 :               0.00001043980149
                   +2 :              -0.00002695681373
              8 vec=    10.583355     -3.115717     10.693237   |vec|=   15.364258
                2s
                   +0 :              -0.00004457052667
                2p
                   -1 :               0.00001608158492
                   +0 :               0.00001997346924
                   +1 :              -0.00002406271177
                3s
                   +0 :               0.00031130782735
                4s
                   +0 :              -0.00012001069849
                3p
                   -1 :              -0.00001634212265
                   +0 :              -0.00010014091447
                   +1 :               0.00026877296317
                4p
                   -1 :               0.00001127381489
                   +0 :               0.00002386870916
                   +1 :              -0.00010264794827
                3d
                   -2 :               0.00002895423301
                   -1 :               0.00001254721030
                   +0 :              -0.00002080738131
                   +1 :               0.00005796344555
                   +2 :               0.00003969046478
              9 vec=    -4.976970      5.868041    -13.854306   |vec|=   15.847584
                2s
                   +0 :               0.00007830170756
                2p
                   -1 :              -0.00000575788296
                   +0 :              -0.00001012352858
                   +1 :              -0.00003008651576
                3s
                   +0 :              -0.00046758647537
                4s
                   +0 :               0.00012975890190
                3p
                   -1 :              -0.00018865360165
                   +0 :               0.00015213946388
                   +1 :               0.00015270739577
                4p
                   -1 :               0.00001597377066
                   +0 :              -0.00007630501168
                   +1 :              -0.00003548970671
                3d
                   -2 :              -0.00003312119092
                   -1 :               0.00003877162348
                   +0 :              -0.00000432365824
                   +1 :              -0.00003501176977
                   +2 :               0.00006831796065
             10 vec=     2.803193     -7.607596    -13.854306   |vec|=   16.052264
                2s
                   +0 :              -0.00005188810927
                2p
                   -1 :              -0.00000928177749
                   +0 :               0.00001728858502
                   +1 :              -0.00003689660249
                3s
                   +0 :              -0.00021818716276
                4s
                   +0 :               0.00003636694645
                3p
                   -1 :               0.00019240218139
                   +0 :               0.00006935530471
                   +1 :              -0.00007335113673
                4p
                   -1 :              -0.00002538683593
                   +0 :              -0.00005656583088
                   +1 :              -0.00006267959136
                3d
                   -2 :               0.00011266996177
                   -1 :              -0.00001884717604
                   +0 :               0.00000878475788
                   +1 :              -0.00005912751898
                   +2 :              -0.00000234778578
             11 vec=    10.583355      5.868041     10.693237   |vec|=   16.148889
                2s
                   +0 :               0.00008150434745
                2p
                   -1 :               0.00004487976664
                   +0 :               0.00004190574122
                   +1 :               0.00004452240836
                3s
                   +0 :              -0.00013647623351
                4s
                   +0 :               0.00007316196365
                3p
                   -1 :              -0.00016067472395
                   +0 :              -0.00007755138925
                   +1 :              -0.00018113191711
                4p
                   -1 :               0.00003246767301
                   +0 :               0.00003133431089
                   +1 :               0.00005487869328
                3d
                   -2 :               0.00000253417951
                   -1 :               0.00000569742961
                   +0 :               0.00003669629920
                   +1 :              -0.00002139914483
                   +2 :               0.00000351852678
             12 vec=   -12.757133      1.376162     10.693237   |vec|=   16.702801
                2s
                   +0 :               0.00006502343638
                2p
                   -1 :              -0.00002087932809
                   +0 :               0.00004731478969
                   +1 :              -0.00001482183058
                3s
                   +0 :              -0.00020244074170
                4s
                   +0 :               0.00006562060464
                3p
                   -1 :               0.00004453658995
                   +0 :              -0.00024315950355
                   +1 :               0.00014000044058
                4p
                   -1 :              -0.00000073350562
                   +0 :               0.00005708440075
                   +1 :              -0.00001533075312
                3d
                   -2 :              -0.00003073267818
                   -1 :              -0.00000802113779
                   +0 :              -0.00006890364770
                   +1 :               0.00005069357168
                   +2 :              -0.00003074780762
             13 vec=    -4.976970    -12.099475     10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00000854143990
                2p
                   -1 :              -0.00003786833038
                   +0 :               0.00000215960104
                   +1 :              -0.00001271200554
                3s
                   +0 :               0.00003559569753
                4s
                   +0 :               0.00002308265486
                3p
                   -1 :               0.00018895247217
                   +0 :               0.00001569705579
                   +1 :               0.00009124094680
                4p
                   -1 :              -0.00005682288783
                   +0 :               0.00000958678338
                   +1 :              -0.00002501661506
                3d
                   -2 :              -0.00002833436467
                   -1 :               0.00002402549034
                   +0 :               0.00001023922264
                   +1 :               0.00001449330021
                   +2 :               0.00000332261067
             14 vec=     2.803193     10.359920    -13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00001336793467
                2p
                   -1 :              -0.00003226012314
                   +0 :               0.00001849329072
                   +1 :               0.00000484239901
                3s
                   +0 :              -0.00043938852465
                4s
                   +0 :              -0.00001314517562
                3p
                   -1 :              -0.00028518693686
                   +0 :               0.00003298326907
                   +1 :               0.00003168668466
                4p
                   -1 :              -0.00003154304503
                   +0 :               0.00000925337102
                   +1 :              -0.00001231317860
                3d
                   -2 :               0.00001266515815
                   -1 :               0.00004311243897
                   +0 :               0.00006245294158
                   +1 :              -0.00000609457385
                   +2 :               0.00012925904937
             15 vec=    10.583355     -3.115717    -13.854306   |vec|=   17.710361
                2s
                   +0 :              -0.00000605195784
                2p
                   -1 :              -0.00000812212267
                   +0 :               0.00000018872878
                   +1 :              -0.00001925839715
                3s
                   +0 :              -0.00022885027720
                4s
                   +0 :               0.00002124292351
                3p
                   -1 :               0.00008486684244
                   +0 :               0.00007034508008
                   +1 :              -0.00009488929944
                4p
                   -1 :              -0.00002339505503
                   +0 :              -0.00001898049614
                   +1 :              -0.00001415817005
                3d
                   -2 :              -0.00000421079809
                   -1 :              -0.00000211604795
                   +0 :               0.00001668743139
                   +1 :               0.00002211212585
                   +2 :              -0.00002883835336
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al(  2)  npairs=  13
              1 vec=     2.803193      1.376162     -6.601980   |vec|=    7.303276
                2s
                   +0 :               0.00170917483941
                2p
                   -1 :               0.00042794759101
                   +0 :              -0.00128123918447
                   +1 :               0.00098974132320
                3s
                   +0 :              -0.00699629510127
                4s
                   +0 :               0.00247051241125
                3p
                   -1 :              -0.00012893415533
                   +0 :              -0.00042450264495
                   +1 :              -0.00137539018384
                4p
                   -1 :               0.00020365986626
                   +0 :              -0.00170414527134
                   +1 :               0.00019999133958
                3d
                   -2 :               0.00327384538260
                   -1 :              -0.00122992265333
                   +0 :               0.00277554030678
                   +1 :              -0.00226008568684
                   +2 :               0.00117673938135
              2 vec=    -4.976970     -3.115717     -6.601980   |vec|=    8.835387
                2s
                   +0 :               0.00127932018523
                2p
                   -1 :               0.00032812384560
                   +0 :               0.00007413643674
                   +1 :              -0.00006476249815
                3s
                   +0 :              -0.01680705649344
                4s
                   +0 :               0.00042326448982
                3p
                   -1 :               0.00330348728475
                   +0 :               0.00836582835000
                   +1 :               0.00979308493366
                4p
                   -1 :               0.00076399669360
                   +0 :               0.00049175964191
                   +1 :               0.00004121999869
                3d
                   -2 :              -0.00231071379110
                   -1 :              -0.00191169777647
                   +0 :              -0.00063649867081
                   +1 :              -0.00393496572101
                   +2 :              -0.00175715258239
              3 vec=    -4.976970      5.868041     -6.601980   |vec|=   10.138554
                2s
                   +0 :              -0.00064608998414
                2p
                   -1 :              -0.00017659342859
                   +0 :               0.00039031984071
                   +1 :              -0.00075463637171
                3s
                   +0 :              -0.00055252900601
                4s
                   +0 :               0.00107729993406
                3p
                   -1 :              -0.00060959736560
                   +0 :              -0.00111570333495
                   +1 :               0.00432727568941
                4p
                   -1 :               0.00055221118783
                   +0 :              -0.00024588691115
                   +1 :              -0.00136746875886
                3d
                   -2 :               0.00133925124334
                   -1 :              -0.00011204684236
                   +0 :              -0.00040203345298
                   +1 :              -0.00035601328868
                   +2 :              -0.00016134320248
              4 vec=     2.803193     -7.607596     -6.601980   |vec|=   10.455599
                2s
                   +0 :               0.00047720681413
                2p
                   -1 :              -0.00020437524618
                   +0 :              -0.00001102493000
                   +1 :               0.00000183301559
                3s
                   +0 :              -0.00241503690537
                4s
                   +0 :               0.00080957109661
                3p
                   -1 :               0.00183643683638
                   +0 :              -0.00022924083566
                   +1 :              -0.00058099468050
                4p
                   -1 :              -0.00063637009338
                   +0 :               0.00007294995115
                   +1 :               0.00018325835466
                3d
                   -2 :               0.00034873710462
                   -1 :              -0.00011886388453
                   +0 :              -0.00024848693078
                   +1 :              -0.00003275575216
                   +2 :               0.00023710709203
              5 vec=     2.803193     10.359920     -6.601980   |vec|=   12.600475
                2s
                   +0 :               0.00031257712564
                2p
                   -1 :               0.00008586706605
                   +0 :              -0.00011367771284
                   +1 :              -0.00001867673594
                3s
                   +0 :              -0.00080367744917
                4s
                   +0 :               0.00006137293538
                3p
                   -1 :              -0.00001523922610
                   +0 :               0.00074674503385
                   +1 :               0.00044561202298
                4p
                   -1 :              -0.00013909910204
                   +0 :              -0.00007187386861
                   +1 :              -0.00015388281476
                3d
                   -2 :               0.00018042822307
                   -1 :               0.00020748990195
                   +0 :              -0.00029791470480
                   +1 :              -0.00007618314677
                   +2 :              -0.00006932955466
              6 vec=    10.583355     -3.115717     -6.601980   |vec|=   12.856953
                2s
                   +0 :              -0.00039455478545
                2p
                   -1 :               0.00001746762641
                   +0 :               0.00011723784067
                   +1 :              -0.00017519590210
                3s
                   +0 :               0.00126009718927
                4s
                   +0 :              -0.00040742214240
                3p
                   -1 :              -0.00001554305618
                   +0 :              -0.00049519860837
                   +1 :               0.00102690828122
                4p
                   -1 :               0.00002311436845
                   +0 :               0.00015306768140
                   +1 :              -0.00016785200685
                3d
                   -2 :              -0.00004121688765
                   -1 :               0.00007052348445
                   +0 :              -0.00006636049771
                   +1 :              -0.00014263422109
                   +2 :               0.00010894900334
              7 vec=    10.583355      5.868041     -6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00014318840807
                2p
                   -1 :              -0.00000845778629
                   +0 :               0.00008986431272
                   +1 :               0.00000871544877
                3s
                   +0 :               0.00023806532264
                4s
                   +0 :              -0.00016665068748
                3p
                   -1 :               0.00002004079297
                   +0 :              -0.00051315854483
                   +1 :              -0.00020017107893
                4p
                   -1 :              -0.00007085440283
                   +0 :               0.00010164767686
                   +1 :               0.00002530107192
                3d
                   -2 :              -0.00006021070261
                   -1 :              -0.00002736762469
                   +0 :              -0.00002649179731
                   +1 :              -0.00007681256424
                   +2 :              -0.00005783674987
              8 vec=   -12.757133      1.376162     -6.601980   |vec|=   14.429982
                2s
                   +0 :              -0.00010736790501
                2p
                   -1 :               0.00001620325279
                   +0 :              -0.00003432051626
                   +1 :               0.00002285666485
                3s
                   +0 :               0.00038216134322
                4s
                   +0 :              -0.00014709727826
                3p
                   -1 :              -0.00017892748789
                   +0 :               0.00007299778222
                   +1 :              -0.00003600601869
                4p
                   -1 :               0.00003143360450
                   +0 :               0.00004167201204
                   +1 :              -0.00001530933850
                3d
                   -2 :               0.00010514067826
                   -1 :              -0.00001792203380
                   +0 :               0.00006099367817
                   +1 :              -0.00001060427367
                   +2 :              -0.00004723272016
              9 vec=    -4.976970    -12.099475     -6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00004485788752
                2p
                   -1 :               0.00003942199938
                   +0 :               0.00000366688262
                   +1 :              -0.00000429240510
                3s
                   +0 :               0.00007846979273
                4s
                   +0 :               0.00007896002507
                3p
                   -1 :              -0.00018766787126
                   +0 :               0.00005301922085
                   +1 :              -0.00012746764005
                4p
                   -1 :               0.00000072237907
                   +0 :              -0.00003504931531
                   +1 :               0.00003677972091
                3d
                   -2 :               0.00000704851117
                   -1 :              -0.00001933014899
                   +0 :              -0.00000929564475
                   +1 :               0.00001999163438
                   +2 :              -0.00002140353468
             10 vec=   -12.757133     -7.607596     -6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00007704894088
                2p
                   -1 :              -0.00001694217160
                   +0 :              -0.00004271036902
                   +1 :              -0.00000507819725
                3s
                   +0 :              -0.00025562762711
                4s
                   +0 :               0.00005202178783
                3p
                   -1 :               0.00011963333316
                   +0 :               0.00020690554760
                   +1 :              -0.00003475043988
                4p
                   -1 :              -0.00002936930536
                   +0 :              -0.00004750983327
                   +1 :               0.00004491117636
                3d
                   -2 :              -0.00001575614474
                   -1 :              -0.00001229331932
                   +0 :              -0.00003801847636
                   +1 :              -0.00003271536326
                   +2 :               0.00001482711864
             11 vec=    -4.976970     14.851799     -6.601980   |vec|=   16.998009
                2s
                   +0 :               0.00002316183412
                2p
                   -1 :              -0.00000355981699
                   +0 :               0.00001982481656
                   +1 :              -0.00000011330218
                3s
                   +0 :               0.00000548917409
                4s
                   +0 :              -0.00004691208066
                3p
                   -1 :               0.00005992565357
                   +0 :              -0.00012166935262
                   +1 :               0.00001513596402
                4p
                   -1 :              -0.00004537938472
                   +0 :               0.00003433321756
                   +1 :              -0.00000730250495
                3d
                   -2 :               0.00003672876976
                   -1 :              -0.00002626877350
                   +0 :               0.00001690260983
                   +1 :               0.00001125418266
                   +2 :               0.00000277765878
             12 vec=    10.583355    -12.099475     -6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00002166211577
                2p
                   -1 :               0.00002232955361
                   +0 :              -0.00003894901596
                   +1 :               0.00000986633766
                3s
                   +0 :              -0.00012794540999
                4s
                   +0 :               0.00001743121256
                3p
                   -1 :              -0.00011302120341
                   +0 :               0.00019848007009
                   +1 :              -0.00006543407120
                4p
                   -1 :               0.00004030960697
                   +0 :              -0.00003781668542
                   +1 :               0.00000176885637
                3d
                   -2 :              -0.00001592448540
                   -1 :              -0.00003334444160
                   +0 :              -0.00003715622591
                   +1 :               0.00003038572531
                   +2 :              -0.00003057653455
             13 vec=   -12.757133     10.359920     -6.601980   |vec|=   17.710407
                2s
                   +0 :               0.00001221921740
                2p
                   -1 :              -0.00001673904332
                   +0 :               0.00002727143615
                   +1 :              -0.00002560285926
                3s
                   +0 :              -0.00010610741516
                4s
                   +0 :               0.00009031809918
                3p
                   -1 :               0.00008698731747
                   +0 :              -0.00011236112035
                   +1 :               0.00019071495271
                4p
                   -1 :              -0.00001483318820
                   +0 :               0.00000957011749
                   +1 :              -0.00007799191956
                3d
                   -2 :               0.00001589261733
                   -1 :              -0.00001841833703
                   +0 :              -0.00002176430883
                   +1 :               0.00003669783674
                   +2 :              -0.00002263443166
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Cr(  3)  npairs=  14
              1 vec=     2.803193      1.376162      5.671791   |vec|=    6.474637
                3s
                   +0 :               0.00717705386906
                3p
                   -1 :               0.00062124417280
                   +0 :               0.00270203045323
                   +1 :               0.00258928121826
                4s
                   +0 :              -0.01275843964500
                5s
                   +0 :               0.00310786482025
                3d
                   -2 :              -0.00013172716695
                   -1 :              -0.00020497638771
                   +0 :              -0.00078074568001
                   +1 :               0.00139208082103
                   +2 :               0.00109947594548
                4d
                   -2 :               0.00078666627577
                   -1 :              -0.00148745783308
                   +0 :              -0.00337685699640
                   +1 :              -0.00351320176761
                   +2 :               0.00010023460102
                4p
                   -1 :              -0.00036177099367
                   +0 :              -0.00398369884671
                   +1 :              -0.00223733550192
              2 vec=    -4.976970     -3.115717      5.671791   |vec|=    8.163770
                3s
                   +0 :              -0.00290799798472
                3p
                   -1 :               0.00048283055698
                   +0 :              -0.00086928937056
                   +1 :               0.00244913167309
                4s
                   +0 :              -0.00267626570526
                5s
                   +0 :              -0.00052330591002
                3d
                   -2 :              -0.00263957670040
                   -1 :               0.00001655997990
                   +0 :               0.00317705082939
                   +1 :               0.00276234960207
                   +2 :              -0.00469629180146
                4d
                   -2 :              -0.00000863177446
                   -1 :              -0.00012104662749
                   +0 :               0.00037622176588
                   +1 :              -0.00095448993618
                   +2 :              -0.00061383442190
                4p
                   -1 :               0.00081699407782
                   +0 :               0.00132508011583
                   +1 :               0.00219160953239
              3 vec=    -4.976970      5.868041      5.671791   |vec|=    9.558941
                3s
                   +0 :              -0.00038291921401
                3p
                   -1 :               0.00010184811554
                   +0 :               0.00005785597801
                   +1 :              -0.00126962481217
                4s
                   +0 :               0.00022762829047
                5s
                   +0 :               0.00000835276160
                3d
                   -2 :              -0.00170586927208
                   -1 :               0.00107506615738
                   +0 :              -0.00004280334764
                   +1 :              -0.00106938623299
                   +2 :              -0.00053466112975
                4d
                   -2 :               0.00116744050520
                   -1 :              -0.00049826110459
                   +0 :              -0.00003720775997
                   +1 :               0.00086583255020
                   +2 :               0.00040665141597
                4p
                   -1 :               0.00011367528175
                   +0 :              -0.00001907931499
                   +1 :               0.00229329070943
              4 vec=     2.803193     -7.607596      5.671791   |vec|=    9.894576
                3s
                   +0 :               0.00021085529100
                3p
                   -1 :               0.00013697975816
                   +0 :               0.00039993061163
                   +1 :              -0.00028469553119
                4s
                   +0 :              -0.00067740149589
                5s
                   +0 :               0.00000039370761
                3d
                   -2 :               0.00071626964746
                   -1 :              -0.00010469869785
                   +0 :               0.00019315227952
                   +1 :              -0.00010184597695
                   +2 :               0.00049852787765
                4d
                   -2 :              -0.00040209449529
                   -1 :               0.00049953110193
                   +0 :              -0.00027811753066
                   +1 :              -0.00015545785775
                   +2 :              -0.00016874918318
                4p
                   -1 :               0.00015699299876
                   +0 :              -0.00098864208064
                   +1 :               0.00047619757574
              5 vec=     2.803193     10.359920      5.671791   |vec|=   12.138989
                3s
                   +0 :              -0.00044812245193
                3p
                   -1 :              -0.00026141361411
                   +0 :              -0.00029643490846
                   +1 :               0.00008709839291
                4s
                   +0 :               0.00060123510543
                5s
                   +0 :              -0.00008923540734
                3d
                   -2 :               0.00081358016764
                   -1 :              -0.00098191509232
                   +0 :              -0.00071616313053
                   +1 :               0.00024962516636
                   +2 :               0.00001797447651
                4d
                   -2 :              -0.00014346439581
                   -1 :               0.00022355219048
                   +0 :              -0.00000188094039
                   +1 :              -0.00001771085383
                   +2 :              -0.00011170975555
                4p
                   -1 :               0.00030331762698
                   +0 :               0.00014197089521
                   +1 :               0.00002299038772
              6 vec=    10.583355     -3.115717      5.671791   |vec|=   12.405012
                3s
                   +0 :              -0.00065797299243
                3p
                   -1 :               0.00024993401656
                   +0 :              -0.00021889529437
                   +1 :              -0.00035914050494
                4s
                   +0 :               0.00125360442060
                5s
                   +0 :              -0.00005939804404
                3d
                   -2 :               0.00015984897073
                   -1 :               0.00040902847900
                   +0 :              -0.00025114388263
                   +1 :              -0.00041899915444
                   +2 :               0.00011581838700
                4d
                   -2 :              -0.00033246697714
                   -1 :              -0.00029108297770
                   +0 :               0.00004757636305
                   +1 :               0.00053352666075
                   +2 :               0.00019504064627
                4p
                   -1 :              -0.00044280248114
                   +0 :               0.00038073418328
                   +1 :               0.00076781288928
              7 vec=    10.583355      5.868041      5.671791   |vec|=   13.364525
                3s
                   +0 :               0.00002725370047
                3p
                   -1 :               0.00007892043123
                   +0 :               0.00006312152897
                   +1 :               0.00002142916120
                4s
                   +0 :              -0.00019149439695
                5s
                   +0 :              -0.00000543371690
                3d
                   -2 :               0.00000867404346
                   -1 :               0.00026775814168
                   +0 :              -0.00015737690828
                   +1 :               0.00017055269299
                   +2 :              -0.00005609571421
                4d
                   -2 :              -0.00003518209030
                   -1 :              -0.00015216589513
                   +0 :              -0.00000018451235
                   +1 :              -0.00006114445952
                   +2 :               0.00000623326269
                4p
                   -1 :              -0.00014184731502
                   +0 :              -0.00007867253895
                   +1 :              -0.00008790576062
              8 vec=   -12.757133      1.376162      5.671791   |vec|=   14.028809
                3s
                   +0 :              -0.00070783808690
                3p
                   -1 :               0.00023151659569
                   +0 :              -0.00012217935690
                   +1 :               0.00052023749733
                4s
                   +0 :               0.00115860652659
                5s
                   +0 :              -0.00006209216729
                3d
                   -2 :              -0.00021421123635
                   -1 :               0.00031734755344
                   +0 :              -0.00001753560416
                   +1 :               0.00048637714617
                   +2 :              -0.00023467473631
                4d
                   -2 :               0.00034276552404
                   -1 :              -0.00017076695746
                   +0 :              -0.00007938779248
                   +1 :              -0.00034335951471
                   +2 :               0.00016960116519
                4p
                   -1 :              -0.00045784897049
                   +0 :               0.00015369170884
                   +1 :              -0.00082196088187
              9 vec=    -4.976970    -12.099475      5.671791   |vec|=   14.259619
                3s
                   +0 :               0.00001576824956
                3p
                   -1 :              -0.00012254992994
                   +0 :               0.00003445951625
                   +1 :              -0.00001745476555
                4s
                   +0 :              -0.00008363213185
                5s
                   +0 :              -0.00001960322294
                3d
                   -2 :               0.00004802434503
                   -1 :              -0.00019639800078
                   +0 :               0.00000591298307
                   +1 :               0.00004814317964
                   +2 :               0.00005218255958
                4d
                   -2 :              -0.00009341854346
                   -1 :               0.00011119188797
                   +0 :              -0.00002745941283
                   +1 :              -0.00000572839023
                   +2 :               0.00009171938974
                4p
                   -1 :               0.00025377207823
                   +0 :              -0.00006127470709
                   +1 :              -0.00005639554101
             10 vec=   -12.757133     -7.607596      5.671791   |vec|=   15.899345
                3s
                   +0 :              -0.00020189466683
                3p
                   -1 :               0.00008498915604
                   +0 :              -0.00005550737044
                   +1 :               0.00005207701595
                4s
                   +0 :               0.00038543532411
                5s
                   +0 :               0.00000178178603
                3d
                   -2 :              -0.00013636040258
                   -1 :               0.00003427819116
                   +0 :               0.00007585880267
                   +1 :              -0.00000217090149
                   +2 :              -0.00000894679394
                4d
                   -2 :               0.00005100231684
                   -1 :              -0.00006832052270
                   +0 :               0.00001883546135
                   +1 :              -0.00010444607007
                   +2 :               0.00003311189640
                4p
                   -1 :              -0.00012495867193
                   +0 :               0.00013464675172
                   +1 :              -0.00012059791653
             11 vec=    -4.976970     14.851799      5.671791   |vec|=   16.658793
                3s
                   +0 :               0.00002743160353
                3p
                   -1 :              -0.00001217646862
                   +0 :               0.00002005154888
                   +1 :               0.00002576349620
                4s
                   +0 :              -0.00012503802319
                5s
                   +0 :              -0.00000001863143
                3d
                   -2 :              -0.00001477756707
                   -1 :              -0.00010989530965
                   +0 :              -0.00000235344067
                   +1 :              -0.00005974022400
                   +2 :               0.00009309532115
                4d
                   -2 :              -0.00005662334026
                   -1 :              -0.00004676951885
                   +0 :              -0.00001186758741
                   +1 :              -0.00003253111913
                   +2 :               0.00000252585336
                4p
                   -1 :              -0.00003912286210
                   +0 :              -0.00008289475447
                   +1 :              -0.00008080813473
             12 vec=    10.583355    -12.099475      5.671791   |vec|=   17.046229
                3s
                   +0 :              -0.00004096077720
                3p
                   -1 :               0.00002994384235
                   +0 :              -0.00001160571400
                   +1 :              -0.00004739505607
                4s
                   +0 :               0.00002768669903
                5s
                   +0 :              -0.00001822640116
                3d
                   -2 :               0.00005700669338
                   -1 :               0.00003212292922
                   +0 :              -0.00003478487390
                   +1 :              -0.00014065601068
                   +2 :              -0.00007194462909
                4d
                   -2 :              -0.00002919744516
                   -1 :              -0.00002140268912
                   +0 :              -0.00000082105577
                   +1 :               0.00002402437888
                   +2 :               0.00000115261397
                4p
                   -1 :              -0.00004902463781
                   +0 :              -0.00001368987220
                   +1 :               0.00002966742191
             13 vec=   -12.757133     10.359920      5.671791   |vec|=   17.385097
                3s
                   +0 :              -0.00002095676344
                3p
                   -1 :              -0.00004944258855
                   +0 :              -0.00002486967036
                   +1 :              -0.00001040138513
                4s
                   +0 :              -0.00004097351448
                5s
                   +0 :               0.00002125265191
                3d
                   -2 :              -0.00001867047598
                   -1 :              -0.00000307489224
                   +0 :               0.00000544138739
                   +1 :              -0.00004317697250
                   +2 :               0.00002906558220
                4d
                   -2 :               0.00001436583759
                   -1 :               0.00002509505893
                   +0 :              -0.00002887364749
                   +1 :               0.00001704654022
                   +2 :              -0.00006972971572
                4p
                   -1 :               0.00009074489932
                   +0 :               0.00002469897907
                   +1 :               0.00004601870568
             14 vec=     2.803193    -16.591354      5.671791   |vec|=   17.756693
                3s
                   +0 :              -0.00003879477901
                3p
                   -1 :               0.00002470551680
                   +0 :               0.00000655945150
                   +1 :              -0.00001953547949
                4s
                   +0 :               0.00005434406892
                5s
                   +0 :              -0.00000785923456
                3d
                   -2 :               0.00000926585315
                   -1 :              -0.00004671621251
                   +0 :              -0.00001673086024
                   +1 :              -0.00001177551236
                   +2 :               0.00003113351201
                4d
                   -2 :              -0.00002893999116
                   -1 :              -0.00001504163560
                   +0 :              -0.00000600964618
                   +1 :               0.00001658339265
                   +2 :              -0.00000200004802
                4p
                   -1 :              -0.00004384570819
                   +0 :              -0.00000259362421
                   +1 :               0.00004335739043
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al(  4)  npairs=  14
              1 vec=     2.803193      1.376162     -1.580534   |vec|=    3.499971
                2s
                   +0 :              -0.02275386207550
                2p
                   -1 :              -0.01079470924066
                   +0 :               0.00427784824538
                   +1 :              -0.01944070407089
                3s
                   +0 :              -0.03255549931845
                4s
                   +0 :              -0.00974092723878
                3p
                   -1 :              -0.02286710431128
                   +0 :              -0.01464607400681
                   +1 :              -0.05432334348100
                4p
                   -1 :              -0.00627014334575
                   +0 :               0.00320216388825
                   +1 :              -0.00731854648141
                3d
                   -2 :              -0.03061085910983
                   -1 :               0.00128474470577
                   +0 :               0.03083815092791
                   +1 :               0.00061762751801
                   +2 :              -0.02204955180545
              2 vec=    -4.976970     -3.115717     -1.580534   |vec|=    6.080790
                2s
                   +0 :               0.00169302941296
                2p
                   -1 :              -0.00078981878317
                   +0 :               0.00036276619194
                   +1 :              -0.00120893737782
                3s
                   +0 :              -0.00347095306547
                4s
                   +0 :               0.00351935131422
                3p
                   -1 :               0.00064833639514
                   +0 :               0.00124412247521
                   +1 :               0.00631557071491
                4p
                   -1 :              -0.00057598882486
                   +0 :               0.00050332317797
                   +1 :              -0.00202240498673
                3d
                   -2 :              -0.00174497659790
                   -1 :              -0.00090129758547
                   +0 :              -0.00003960429491
                   +1 :              -0.00143282898974
                   +2 :              -0.00210724840388
              3 vec=    -4.976970      5.868041     -1.580534   |vec|=    7.855076
                2s
                   +0 :              -0.00019019967944
                2p
                   -1 :               0.00046208504662
                   +0 :              -0.00019853246198
                   +1 :               0.00063014915964
                3s
                   +0 :               0.00580774683905
                4s
                   +0 :              -0.00088913797135
                3p
                   -1 :               0.00132218827743
                   +0 :               0.00142305400513
                   +1 :              -0.00807217902199
                4p
                   -1 :               0.00034958605423
                   +0 :              -0.00104940856491
                   +1 :               0.00111671496515
                3d
                   -2 :              -0.00122902614614
                   -1 :              -0.00013266775887
                   +0 :              -0.00117423942935
                   +1 :               0.00078455859286
                   +2 :               0.00176703953461
              4 vec=     2.803193     -7.607596     -1.580534   |vec|=    8.260236
                2s
                   +0 :               0.00045008896139
                2p
                   -1 :              -0.00055731777630
                   +0 :               0.00022693433927
                   +1 :               0.00082052588949
                3s
                   +0 :              -0.00203109690055
                4s
                   +0 :               0.00078774100383
                3p
                   -1 :               0.00199570642173
                   +0 :              -0.00102085270860
                   +1 :              -0.00404149609549
                4p
                   -1 :              -0.00066184262010
                   +0 :               0.00025500904490
                   +1 :               0.00129449251054
                3d
                   -2 :               0.00078340217366
                   -1 :               0.00028118253793
                   +0 :              -0.00003369872278
                   +1 :               0.00075394229038
                   +2 :              -0.00003303021773
              5 vec=     2.803193     10.359920     -1.580534   |vec|=   10.848222
                2s
                   +0 :              -0.00007692098683
                2p
                   -1 :               0.00003004227800
                   +0 :               0.00009703474673
                   +1 :              -0.00001674573404
                3s
                   +0 :              -0.00069491835836
                4s
                   +0 :               0.00015159828325
                3p
                   -1 :              -0.00118504989611
                   +0 :              -0.00128263166603
                   +1 :               0.00020695972087
                4p
                   -1 :               0.00038080795823
                   +0 :               0.00015343520663
                   +1 :              -0.00001369081283
                3d
                   -2 :               0.00007111988061
                   -1 :              -0.00028996574026
                   +0 :              -0.00018305326923
                   +1 :              -0.00016570232532
                   +2 :               0.00015087818097
              6 vec=    10.583355     -3.115717     -1.580534   |vec|=   11.145097
                2s
                   +0 :               0.00002230894293
                2p
                   -1 :              -0.00007869459619
                   +0 :              -0.00000335519993
                   +1 :              -0.00003139092495
                3s
                   +0 :              -0.00125574984059
                4s
                   +0 :               0.00039879402574
                3p
                   -1 :               0.00068533847021
                   +0 :              -0.00054661637071
                   +1 :              -0.00053930475225
                4p
                   -1 :              -0.00014320482137
                   +0 :               0.00004620472284
                   +1 :               0.00021750829094
                3d
                   -2 :               0.00023497188965
                   -1 :               0.00024044752743
                   +0 :              -0.00027589769220
                   +1 :              -0.00016739300099
                   +2 :               0.00016874964185
              7 vec=    10.583355      5.868041     -1.580534   |vec|=   12.204073
                2s
                   +0 :               0.00000865194836
                2p
                   -1 :              -0.00005649127560
                   +0 :              -0.00018953438606
                   +1 :               0.00002790211825
                3s
                   +0 :               0.00011048121505
                4s
                   +0 :              -0.00014221899197
                3p
                   -1 :               0.00031823247544
                   +0 :               0.00091474877010
                   +1 :              -0.00007562811892
                4p
                   -1 :              -0.00006824435984
                   +0 :              -0.00025793045906
                   +1 :              -0.00005673131455
                3d
                   -2 :               0.00005708145061
                   -1 :              -0.00001026135842
                   +0 :              -0.00010777234129
                   +1 :               0.00005866198578
                   +2 :              -0.00003229290554
              8 vec=   -12.757133      1.376162     -1.580534   |vec|=   12.928122
                2s
                   +0 :               0.00003205534087
                2p
                   -1 :              -0.00021590835669
                   +0 :               0.00020784313963
                   +1 :               0.00005163405716
                3s
                   +0 :              -0.00029960981360
                4s
                   +0 :               0.00025332496738
                3p
                   -1 :               0.00099182801580
                   +0 :              -0.00086195117208
                   +1 :              -0.00017020662858
                4p
                   -1 :              -0.00024429639375
                   +0 :               0.00021681737385
                   +1 :              -0.00004582125437
                3d
                   -2 :              -0.00024108632950
                   -1 :               0.00003494042990
                   +0 :              -0.00012433584185
                   +1 :               0.00017319049552
                   +2 :               0.00022282022369
              9 vec=    -4.976970    -12.099475     -1.580534   |vec|=   13.178225
                2s
                   +0 :              -0.00022049688777
                2p
                   -1 :               0.00015642410897
                   +0 :               0.00002104918881
                   +1 :              -0.00003087193695
                3s
                   +0 :               0.00064941691504
                4s
                   +0 :              -0.00027910049384
                3p
                   -1 :              -0.00066662916854
                   +0 :               0.00020432401304
                   +1 :               0.00007494935210
                4p
                   -1 :               0.00017641376259
                   +0 :              -0.00001257165250
                   +1 :              -0.00005403100571
                3d
                   -2 :               0.00001975073206
                   -1 :               0.00002849505124
                   +0 :              -0.00008932453581
                   +1 :               0.00004504354030
                   +2 :              -0.00008647081900
             10 vec=   -12.757133     -7.607596     -1.580534   |vec|=   14.937136
                2s
                   +0 :              -0.00003983702086
                2p
                   -1 :               0.00001142010080
                   +0 :               0.00001839797952
                   +1 :              -0.00000756763174
                3s
                   +0 :               0.00022891740408
                4s
                   +0 :              -0.00008605673376
                3p
                   -1 :              -0.00016007718510
                   +0 :               0.00001264800435
                   +1 :              -0.00004355264659
                4p
                   -1 :               0.00006811634762
                   +0 :              -0.00000437613713
                   +1 :               0.00002677325225
                3d
                   -2 :               0.00003199133394
                   -1 :              -0.00002650969735
                   +0 :              -0.00006980904125
                   +1 :              -0.00005382647546
                   +2 :              -0.00005159188082
             11 vec=    -4.976970     14.851799     -1.580534   |vec|=   15.743070
                2s
                   +0 :               0.00002065631124
                2p
                   -1 :              -0.00001252743493
                   +0 :              -0.00000955718645
                   +1 :              -0.00003859214132
                3s
                   +0 :              -0.00007635085425
                4s
                   +0 :               0.00004022865594
                3p
                   -1 :               0.00005802793748
                   +0 :              -0.00006794003611
                   +1 :               0.00020467240078
                4p
                   -1 :              -0.00001360843247
                   +0 :               0.00005364465367
                   +1 :              -0.00007650245238
                3d
                   -2 :              -0.00003200993936
                   -1 :              -0.00000490578387
                   +0 :              -0.00000036587356
                   +1 :               0.00001008547008
                   +2 :              -0.00004219513196
             12 vec=    10.583355    -12.099475     -1.580534   |vec|=   16.152486
                2s
                   +0 :               0.00001684674345
                2p
                   -1 :               0.00000518143985
                   +0 :               0.00000977416111
                   +1 :               0.00000171583235
                3s
                   +0 :              -0.00011529733394
                4s
                   +0 :               0.00003236653189
                3p
                   -1 :              -0.00002523037743
                   +0 :              -0.00007224616022
                   +1 :              -0.00005895687914
                4p
                   -1 :               0.00000437696225
                   +0 :              -0.00000164259253
                   +1 :               0.00001289434156
                3d
                   -2 :               0.00001221176862
                   -1 :               0.00000633142492
                   +0 :              -0.00003821531833
                   +1 :              -0.00001634236233
                   +2 :              -0.00001213222191
             13 vec=   -12.757133     10.359920     -1.580534   |vec|=   16.509708
                2s
                   +0 :              -0.00004272775515
                2p
                   -1 :              -0.00001044359718
                   +0 :               0.00000405767337
                   +1 :               0.00002728771494
                3s
                   +0 :               0.00027704179892
                4s
                   +0 :              -0.00013399440253
                3p
                   -1 :               0.00015524563206
                   +0 :              -0.00001502987784
                   +1 :              -0.00020527327137
                4p
                   -1 :              -0.00007373740595
                   +0 :              -0.00000007354759
                   +1 :               0.00006528571901
                3d
                   -2 :              -0.00003668307883
                   -1 :              -0.00001531889587
                   +0 :               0.00001489083514
                   +1 :              -0.00000945513401
                   +2 :               0.00001566690645
             14 vec=     2.803193    -16.591354     -1.580534   |vec|=   16.900562
                2s
                   +0 :               0.00001483604083
                2p
                   -1 :               0.00002637947871
                   +0 :               0.00002430531342
                   +1 :              -0.00001647640152
                3s
                   +0 :              -0.00008045163521
                4s
                   +0 :               0.00004038833627
                3p
                   -1 :              -0.00010145889818
                   +0 :              -0.00010951625274
                   +1 :               0.00009627517937
                4p
                   -1 :               0.00001377797302
                   +0 :               0.00002178712510
                   +1 :              -0.00002446039483
                3d
                   -2 :              -0.00001630309154
                   -1 :               0.00002316931382
                   +0 :              -0.00001432451473
                   +1 :              -0.00002545020515
                   +2 :              -0.00004427927415
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al(  5)  npairs=  14
              1 vec=     0.209805     -3.115717     -5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00468867730108
                2p
                   -1 :              -0.00227885536546
                   +0 :              -0.00284108233088
                   +1 :               0.00039337523069
                3s
                   +0 :              -0.01192582641962
                4s
                   +0 :               0.00758271288180
                3p
                   -1 :               0.00791752761073
                   +0 :               0.01196939510584
                   +1 :              -0.00059648418151
                4p
                   -1 :              -0.00396918796822
                   +0 :              -0.00555795955798
                   +1 :               0.00015887783042
                3d
                   -2 :              -0.00056445438836
                   -1 :              -0.00093118260867
                   +0 :              -0.00203065063016
                   +1 :              -0.00002346545305
                   +2 :              -0.00140928438910
              2 vec=     0.209805      5.868041     -5.671873   |vec|=    8.163827
                2s
                   +0 :              -0.00129721923570
                2p
                   -1 :              -0.00122754970114
                   +0 :               0.00049730957250
                   +1 :              -0.00020564526378
                3s
                   +0 :              -0.01020466411723
                4s
                   +0 :              -0.00147360580282
                3p
                   -1 :              -0.00705685168885
                   +0 :               0.00032233613067
                   +1 :               0.00464468446723
                4p
                   -1 :              -0.00150999396801
                   +0 :               0.00041189566812
                   +1 :              -0.00111801610622
                3d
                   -2 :               0.00151895665051
                   -1 :               0.00051743428690
                   +0 :               0.00217990240613
                   +1 :              -0.00042681699779
                   +2 :               0.00328549701844
              3 vec=    -7.570358      1.376162     -5.671873   |vec|=    9.558990
                2s
                   +0 :              -0.00046998679130
                2p
                   -1 :               0.00099177959475
                   +0 :               0.00011475804346
                   +1 :              -0.00039722795803
                3s
                   +0 :               0.00087021723411
                4s
                   +0 :              -0.00020816530419
                3p
                   -1 :              -0.00458162036815
                   +0 :              -0.00066368138882
                   +1 :               0.00155298937745
                4p
                   -1 :               0.00097464220613
                   +0 :               0.00027253191330
                   +1 :              -0.00036429042251
                3d
                   -2 :               0.00033983541256
                   -1 :               0.00069203412810
                   +0 :              -0.00018986146735
                   +1 :              -0.00062649367750
                   +2 :              -0.00099205831786
              4 vec=     7.989968      1.376162     -5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00007941618431
                2p
                   -1 :              -0.00001445519445
                   +0 :              -0.00035280374578
                   +1 :              -0.00030534333419
                3s
                   +0 :              -0.00012378419400
                4s
                   +0 :              -0.00016658351790
                3p
                   -1 :              -0.00005917922830
                   +0 :               0.00223614209657
                   +1 :               0.00143832180621
                4p
                   -1 :              -0.00016035652470
                   +0 :              -0.00060096920233
                   +1 :              -0.00069721795574
                3d
                   -2 :              -0.00040579473783
                   -1 :               0.00007536448299
                   +0 :              -0.00019763838788
                   +1 :               0.00041009918481
                   +2 :               0.00008785741358
              5 vec=    -7.570358     -7.607596     -5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00039150420687
                2p
                   -1 :               0.00003533764373
                   +0 :               0.00015489025355
                   +1 :               0.00025922244993
                3s
                   +0 :               0.00071204004313
                4s
                   +0 :              -0.00040770381486
                3p
                   -1 :              -0.00041631955881
                   +0 :               0.00001471557933
                   +1 :              -0.00089108277965
                4p
                   -1 :               0.00007382297645
                   +0 :               0.00012687931904
                   +1 :               0.00032314980554
                3d
                   -2 :               0.00011987098213
                   -1 :               0.00001214567529
                   +0 :              -0.00025528120317
                   +1 :              -0.00005517542387
                   +2 :              -0.00004085060316
              6 vec=     7.989968     -7.607596     -5.671873   |vec|=   12.405049
                2s
                   +0 :              -0.00048399139690
                2p
                   -1 :               0.00013540191152
                   +0 :               0.00018991218946
                   +1 :              -0.00025863530286
                3s
                   +0 :               0.00126928469775
                4s
                   +0 :              -0.00026298232177
                3p
                   -1 :              -0.00072997475619
                   +0 :              -0.00070578029397
                   +1 :               0.00111736828751
                4p
                   -1 :               0.00000740648401
                   +0 :               0.00014917125801
                   +1 :              -0.00020380301369
                3d
                   -2 :              -0.00037002161590
                   -1 :               0.00028996212894
                   +0 :              -0.00010853476669
                   +1 :              -0.00033179135755
                   +2 :               0.00008871913633
              7 vec=     0.209805    -12.099475     -5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00017388838486
                2p
                   -1 :              -0.00012193223549
                   +0 :              -0.00002231738929
                   +1 :              -0.00008981472682
                3s
                   +0 :              -0.00088793892109
                4s
                   +0 :               0.00022937802946
                3p
                   -1 :               0.00076529224473
                   +0 :              -0.00003852913390
                   +1 :               0.00046709187790
                4p
                   -1 :              -0.00017760494682
                   +0 :               0.00007015322331
                   +1 :              -0.00008762145427
                3d
                   -2 :              -0.00019741582572
                   -1 :              -0.00003581564527
                   +0 :              -0.00003588820058
                   +1 :              -0.00005091859823
                   +2 :               0.00007391822246
              8 vec=    -7.570358     10.359920     -5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00042933358898
                2p
                   -1 :              -0.00031451565883
                   +0 :               0.00005464118877
                   +1 :              -0.00003030177424
                3s
                   +0 :               0.00107808064583
                4s
                   +0 :              -0.00022654473146
                3p
                   -1 :               0.00120646597581
                   +0 :              -0.00024412276656
                   +1 :               0.00031114085354
                4p
                   -1 :              -0.00016059954628
                   +0 :               0.00005826788184
                   +1 :              -0.00012995423764
                3d
                   -2 :              -0.00004710910208
                   -1 :              -0.00018437107291
                   +0 :              -0.00010209470209
                   +1 :               0.00000127585113
                   +2 :              -0.00025390118730
              9 vec=     7.989968     10.359920     -5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00000004643401
                2p
                   -1 :               0.00001253610036
                   +0 :               0.00001608529544
                   +1 :               0.00007613280423
                3s
                   +0 :               0.00002743665637
                4s
                   +0 :              -0.00009001420554
                3p
                   -1 :               0.00004359404901
                   +0 :              -0.00024116254020
                   +1 :              -0.00039594937031
                4p
                   -1 :              -0.00003734574826
                   +0 :               0.00008490962029
                   +1 :               0.00003291099169
                3d
                   -2 :              -0.00013963118647
                   -1 :              -0.00001912302699
                   +0 :              -0.00001755671866
                   +1 :               0.00005963462872
                   +2 :               0.00001540541348
             10 vec=     0.209805     14.851799     -5.671873   |vec|=   15.899374
                2s
                   +0 :              -0.00008871988271
                2p
                   -1 :              -0.00001985505983
                   +0 :              -0.00000032001064
                   +1 :              -0.00000725195023
                3s
                   +0 :               0.00021835205303
                4s
                   +0 :              -0.00005689359502
                3p
                   -1 :               0.00005881068199
                   +0 :               0.00000700688900
                   +1 :              -0.00003665695930
                4p
                   -1 :              -0.00000339042773
                   +0 :              -0.00002112417694
                   +1 :               0.00001610071144
                3d
                   -2 :              -0.00001887266826
                   -1 :              -0.00003065847682
                   +0 :               0.00002192520757
                   +1 :               0.00001736326943
                   +2 :              -0.00001447769872
             11 vec=   -15.350520     -3.115717     -5.671873   |vec|=   16.658821
                2s
                   +0 :               0.00004136131549
                2p
                   -1 :              -0.00002080070304
                   +0 :               0.00000126206443
                   +1 :               0.00001508454923
                3s
                   +0 :              -0.00017898271230
                4s
                   +0 :               0.00002840130929
                3p
                   -1 :               0.00019210932349
                   +0 :               0.00006827031499
                   +1 :              -0.00005387613752
                4p
                   -1 :              -0.00004136361289
                   +0 :              -0.00000816870179
                   +1 :               0.00003081665127
                3d
                   -2 :              -0.00001682524145
                   -1 :              -0.00006471892180
                   +0 :              -0.00000641003094
                   +1 :              -0.00000200227894
                   +2 :               0.00004346844396
             12 vec=    15.770130     -3.115717     -5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00003870046553
                2p
                   -1 :               0.00002365223413
                   +0 :               0.00000970373677
                   +1 :              -0.00004774963912
                3s
                   +0 :              -0.00000679886431
                4s
                   +0 :              -0.00005503574650
                3p
                   -1 :              -0.00002468405023
                   +0 :               0.00006190542487
                   +1 :               0.00017321857166
                4p
                   -1 :               0.00001637194524
                   +0 :              -0.00000753845248
                   +1 :              -0.00006278247397
                3d
                   -2 :              -0.00000979699017
                   -1 :              -0.00000743977022
                   +0 :              -0.00003013371240
                   +1 :              -0.00000708798143
                   +2 :               0.00005138568173
             13 vec=   -15.350520      5.868041     -5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00000020832840
                2p
                   -1 :               0.00002500318416
                   +0 :               0.00000236042516
                   +1 :              -0.00001918833370
                3s
                   +0 :              -0.00006602287519
                4s
                   +0 :               0.00006579248866
                3p
                   -1 :              -0.00016064019261
                   +0 :               0.00003879589017
                   +1 :               0.00015196300657
                4p
                   -1 :               0.00005269622846
                   +0 :              -0.00002947960739
                   +1 :              -0.00007267858936
                3d
                   -2 :               0.00005508781296
                   -1 :               0.00001275518790
                   +0 :              -0.00002754809144
                   +1 :              -0.00001335398655
                   +2 :               0.00001092062604
             14 vec=    15.770130      5.868041     -5.671873   |vec|=   17.756719
                2s
                   +0 :              -0.00001104589273
                2p
                   -1 :              -0.00001606586070
                   +0 :              -0.00000067375415
                   +1 :              -0.00001879794185
                3s
                   +0 :               0.00002429580227
                4s
                   +0 :              -0.00003035575856
                3p
                   -1 :               0.00009058717140
                   +0 :              -0.00001174445851
                   +1 :               0.00008925318548
                4p
                   -1 :              -0.00003640349960
                   +0 :               0.00000984420181
                   +1 :              -0.00002541907827
                3d
                   -2 :               0.00000994685501
                   -1 :              -0.00000572051470
                   +0 :              -0.00000585644871
                   +1 :              -0.00001771585475
                   +2 :               0.00000989923419
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al(  6)  npairs=  14
              1 vec=     0.209805     -3.115717      1.580453   |vec|=    3.499934
                2s
                   +0 :               0.02319819231703
                2p
                   -1 :              -0.02244266762484
                   +0 :               0.00414452684925
                   +1 :               0.00039840250377
                3s
                   +0 :               0.02773824484192
                4s
                   +0 :               0.01052049015537
                3p
                   -1 :              -0.05521023609827
                   +0 :              -0.01236808515689
                   +1 :               0.00649955815142
                4p
                   -1 :              -0.00985997697265
                   +0 :               0.00279678113405
                   +1 :              -0.00168923759065
                3d
                   -2 :              -0.00366420740212
                   -1 :              -0.00229044017586
                   +0 :              -0.03091248857204
                   +1 :              -0.00064489332090
                   +2 :              -0.03693929953346
              2 vec=     0.209805      5.868041      1.580453   |vec|=    6.080769
                2s
                   +0 :              -0.00203884440655
                2p
                   -1 :              -0.00137061762020
                   +0 :               0.00051798275474
                   +1 :              -0.00021675385653
                3s
                   +0 :               0.00471646373715
                4s
                   +0 :              -0.00388459098588
                3p
                   -1 :               0.00548422424321
                   +0 :               0.00054658586125
                   +1 :              -0.00192128424338
                4p
                   -1 :              -0.00192358968488
                   +0 :               0.00074650583341
                   +1 :               0.00047404332166
                3d
                   -2 :              -0.00072793213269
                   -1 :               0.00158909674466
                   +0 :               0.00031338434322
                   +1 :              -0.00016755773816
                   +2 :              -0.00249189934608
              3 vec=    -7.570358      1.376162      1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00026929623119
                2p
                   -1 :               0.00085160319743
                   +0 :              -0.00019338266058
                   +1 :               0.00012914011002
                3s
                   +0 :              -0.00619495537877
                4s
                   +0 :               0.00071747982804
                3p
                   -1 :              -0.00716971305255
                   +0 :               0.00157613254510
                   +1 :               0.00479330217203
                4p
                   -1 :               0.00120012878802
                   +0 :              -0.00100323039420
                   +1 :              -0.00006644520616
                3d
                   -2 :               0.00207159803728
                   -1 :              -0.00049091421091
                   +0 :               0.00112280705587
                   +1 :               0.00057124719446
                   +2 :              -0.00005619507017
              4 vec=     7.989968      1.376162      1.580453   |vec|=    8.260220
                2s
                   +0 :              -0.00005442190349
                2p
                   -1 :               0.00035438982391
                   +0 :               0.00016340938356
                   +1 :              -0.00056114352699
                3s
                   +0 :               0.00055525428149
                4s
                   +0 :              -0.00018283329488
                3p
                   -1 :              -0.00223366009555
                   +0 :              -0.00065296180064
                   +1 :               0.00209690549887
                4p
                   -1 :               0.00068352711575
                   +0 :               0.00011559389919
                   +1 :              -0.00076596518249
                3d
                   -2 :              -0.00037624403238
                   -1 :              -0.00071143093912
                   +0 :               0.00014711077489
                   +1 :               0.00038921200519
                   +2 :               0.00051725309141
              5 vec=    -7.570358     -7.607596      1.580453   |vec|=   10.848210
                2s
                   +0 :              -0.00024126180737
                2p
                   -1 :              -0.00000570933240
                   +0 :               0.00024609076160
                   +1 :               0.00015500393291
                3s
                   +0 :               0.00204537252114
                4s
                   +0 :              -0.00035798481614
                3p
                   -1 :              -0.00026885024607
                   +0 :              -0.00205406996065
                   +1 :              -0.00169777340861
                4p
                   -1 :               0.00014546948215
                   +0 :               0.00028291412567
                   +1 :               0.00040568482330
                3d
                   -2 :               0.00001511232165
                   -1 :               0.00028338746659
                   +0 :               0.00025354455201
                   +1 :               0.00027069794002
                   +2 :               0.00025583480692
              6 vec=     7.989968     -7.607596      1.580453   |vec|=   11.145086
                2s
                   +0 :               0.00015769455718
                2p
                   -1 :              -0.00003333400537
                   +0 :              -0.00005882262110
                   +1 :               0.00001005953256
                3s
                   +0 :               0.00067684971142
                4s
                   +0 :              -0.00025333197157
                3p
                   -1 :              -0.00036496111505
                   +0 :              -0.00033220638872
                   +1 :               0.00058859276065
                4p
                   -1 :               0.00017678719947
                   +0 :               0.00002764276895
                   +1 :              -0.00019092891528
                3d
                   -2 :              -0.00000895604565
                   -1 :               0.00004168203191
                   +0 :               0.00021452975734
                   +1 :              -0.00017378877526
                   +2 :               0.00022347070091
              7 vec=     0.209805    -12.099475      1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00024667071581
                2p
                   -1 :               0.00004217285610
                   +0 :              -0.00017690069194
                   +1 :              -0.00005740077780
                3s
                   +0 :               0.00059285544118
                4s
                   +0 :               0.00001381624974
                3p
                   -1 :              -0.00007609846460
                   +0 :               0.00086486281609
                   +1 :               0.00035634104083
                4p
                   -1 :              -0.00011095919649
                   +0 :              -0.00021536973493
                   +1 :              -0.00005259193020
                3d
                   -2 :              -0.00012431974931
                   -1 :              -0.00013172202886
                   +0 :               0.00010516493247
                   +1 :               0.00010994669349
                   +2 :               0.00002207068659
              8 vec=    -7.570358     10.359920      1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00006055490295
                2p
                   -1 :              -0.00001229139699
                   +0 :               0.00016288979270
                   +1 :              -0.00017565716416
                3s
                   +0 :               0.00014735962347
                4s
                   +0 :              -0.00018775596034
                3p
                   -1 :               0.00021699513660
                   +0 :              -0.00073072499443
                   +1 :               0.00078898352237
                4p
                   -1 :              -0.00013668039836
                   +0 :               0.00018868253623
                   +1 :              -0.00014848629947
                3d
                   -2 :               0.00024750037794
                   -1 :              -0.00013472166872
                   +0 :               0.00007928603504
                   +1 :               0.00011619911472
                   +2 :              -0.00010137048167
              9 vec=     7.989968     10.359920      1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00013932185379
                2p
                   -1 :               0.00002353505385
                   +0 :               0.00003159274281
                   +1 :               0.00013910731470
                3s
                   +0 :              -0.00010771993358
                4s
                   +0 :               0.00015092976409
                3p
                   -1 :              -0.00012304180778
                   +0 :               0.00006615614309
                   +1 :              -0.00044368786672
                4p
                   -1 :              -0.00000955479836
                   +0 :              -0.00001821178209
                   +1 :               0.00014556879000
                3d
                   -2 :              -0.00006774588871
                   -1 :              -0.00004939730932
                   +0 :               0.00011605864853
                   +1 :              -0.00007009237483
                   +2 :              -0.00004121036749
             10 vec=     0.209805     14.851799      1.580453   |vec|=   14.937128
                2s
                   +0 :               0.00005600112199
                2p
                   -1 :              -0.00000864665459
                   +0 :               0.00000972441563
                   +1 :               0.00000830906477
                3s
                   +0 :              -0.00022608116651
                4s
                   +0 :               0.00010610832506
                3p
                   -1 :              -0.00006806967020
                   +0 :               0.00006503590365
                   +1 :              -0.00009348131903
                4p
                   -1 :               0.00004213911291
                   +0 :              -0.00002698149556
                   +1 :               0.00004222951382
                3d
                   -2 :              -0.00005585341271
                   -1 :               0.00005731424303
                   +0 :               0.00004028398403
                   +1 :               0.00000321856553
                   +2 :              -0.00001232076264
             11 vec=   -15.350520     -3.115717      1.580453   |vec|=   15.743062
                2s
                   +0 :              -0.00006581369298
                2p
                   -1 :              -0.00002607815300
                   +0 :               0.00000476840733
                   +1 :               0.00002115389029
                3s
                   +0 :               0.00032054052289
                4s
                   +0 :              -0.00006077628717
                3p
                   -1 :               0.00011986304314
                   +0 :              -0.00016226642413
                   +1 :              -0.00012552273066
                4p
                   -1 :              -0.00006162711322
                   +0 :               0.00005002984970
                   +1 :               0.00003175777742
                3d
                   -2 :              -0.00001614422509
                   -1 :               0.00002580543845
                   +0 :               0.00002382862750
                   +1 :               0.00004372813311
                   +2 :              -0.00005738258018
             12 vec=    15.770130     -3.115717      1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00001371284751
                2p
                   -1 :               0.00000378042284
                   +0 :              -0.00000031604098
                   +1 :               0.00000194642249
                3s
                   +0 :              -0.00002972864373
                4s
                   +0 :              -0.00000174749485
                3p
                   -1 :              -0.00007370772810
                   +0 :              -0.00000494259376
                   +1 :               0.00001158742662
                4p
                   -1 :               0.00002314951589
                   +0 :              -0.00000936836490
                   +1 :              -0.00001531500320
                3d
                   -2 :              -0.00002439038847
                   -1 :              -0.00001374704777
                   +0 :               0.00000222687321
                   +1 :              -0.00000764534606
                   +2 :               0.00001417957194
             13 vec=   -15.350520      5.868041      1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00003065800567
                2p
                   -1 :               0.00001205102034
                   +0 :               0.00001363577729
                   +1 :               0.00001011149367
                3s
                   +0 :               0.00004535384375
                4s
                   +0 :               0.00005388839846
                3p
                   -1 :              -0.00004314778686
                   +0 :              -0.00007477576620
                   +1 :               0.00005843013994
                4p
                   -1 :              -0.00000359043173
                   +0 :               0.00001935167919
                   +1 :              -0.00006846603919
                3d
                   -2 :               0.00000528438109
                   -1 :               0.00001161514359
                   +0 :              -0.00000101538211
                   +1 :               0.00002960073307
                   +2 :              -0.00000514696205
             14 vec=    15.770130      5.868041      1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00000635741827
                2p
                   -1 :               0.00000351437031
                   +0 :               0.00000959380742
                   +1 :               0.00001901754906
                3s
                   +0 :               0.00007586822353
                4s
                   +0 :              -0.00004615560525
                3p
                   -1 :               0.00001278024277
                   +0 :              -0.00004119690333
                   +1 :              -0.00005614684778
                4p
                   -1 :              -0.00001261352398
                   +0 :               0.00000796176794
                   +1 :              -0.00000002402256
                3d
                   -2 :              -0.00001850705937
                   -1 :               0.00001254491104
                   +0 :               0.00000727757957
                   +1 :              -0.00002061647424
                   +2 :              -0.00002286014734
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al(  7)  npairs=  15
              1 vec=     0.209805     -3.115717    -10.693319   |vec|=   11.139963
                2s
                   +0 :              -0.00081277776187
                2p
                   -1 :               0.00041978630879
                   +0 :               0.00043080300588
                   +1 :              -0.00009421427992
                3s
                   +0 :               0.00079117448162
                4s
                   +0 :              -0.00029795438074
                3p
                   -1 :              -0.00283159178531
                   +0 :              -0.00070471673379
                   +1 :              -0.00020550536418
                4p
                   -1 :               0.00053651764051
                   +0 :               0.00017471595593
                   +1 :               0.00013964388868
                3d
                   -2 :               0.00003178287354
                   -1 :               0.00034766890724
                   +0 :              -0.00015071076129
                   +1 :               0.00002716499905
                   +2 :              -0.00016648670281
              2 vec=     0.209805      5.868041    -10.693319   |vec|=   12.199385
                2s
                   +0 :              -0.00004419561399
                2p
                   -1 :              -0.00004426119283
                   +0 :               0.00008095794251
                   +1 :              -0.00008779855081
                3s
                   +0 :              -0.00061737491796
                4s
                   +0 :               0.00014626255717
                3p
                   -1 :              -0.00010146925444
                   +0 :              -0.00037867295508
                   +1 :               0.00089900512438
                4p
                   -1 :              -0.00003336504092
                   +0 :              -0.00001000499078
                   +1 :              -0.00001580349314
                3d
                   -2 :               0.00026687477197
                   -1 :              -0.00023336294948
                   +0 :               0.00043183103864
                   +1 :              -0.00025227752695
                   +2 :              -0.00047662879242
              3 vec=    -7.570358      1.376162    -10.693319   |vec|=   13.173883
                2s
                   +0 :               0.00027180255620
                2p
                   -1 :              -0.00014937069090
                   +0 :              -0.00002173841192
                   +1 :               0.00004741053733
                3s
                   +0 :              -0.00239269035540
                4s
                   +0 :               0.00031866735159
                3p
                   -1 :               0.00028038405036
                   +0 :               0.00118747400357
                   +1 :               0.00096252887250
                4p
                   -1 :              -0.00021090558730
                   +0 :              -0.00008605259946
                   +1 :              -0.00005591553780
                3d
                   -2 :               0.00014297496702
                   -1 :               0.00002551210989
                   +0 :              -0.00018156118332
                   +1 :              -0.00031926726402
                   +2 :              -0.00012303892531
              4 vec=     7.989968      1.376162    -10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00025249952021
                2p
                   -1 :               0.00001097749211
                   +0 :               0.00000229530126
                   +1 :               0.00002247664231
                3s
                   +0 :              -0.00276520093425
                4s
                   +0 :               0.00049002314423
                3p
                   -1 :              -0.00072365772911
                   +0 :               0.00116577375109
                   +1 :              -0.00146328687179
                4p
                   -1 :              -0.00002178731888
                   +0 :              -0.00009897629578
                   +1 :               0.00016751470230
                3d
                   -2 :              -0.00033284053049
                   -1 :               0.00031091237477
                   +0 :              -0.00024140779931
                   +1 :               0.00040925178954
                   +2 :              -0.00022805536329
              5 vec=     0.209805     -3.115717     13.854224   |vec|=   14.201804
                2s
                   +0 :              -0.00011846445515
                2p
                   -1 :              -0.00000549740475
                   +0 :              -0.00000676924884
                   +1 :              -0.00002456942066
                3s
                   +0 :               0.00068046428869
                4s
                   +0 :              -0.00013511859044
                3p
                   -1 :               0.00009292831859
                   +0 :               0.00004727259070
                   +1 :               0.00016809841659
                4p
                   -1 :              -0.00000837875046
                   +0 :               0.00000618032305
                   +1 :              -0.00005205475097
                3d
                   -2 :               0.00000469643412
                   -1 :              -0.00003268124506
                   +0 :              -0.00003140601790
                   +1 :               0.00008557867846
                   +2 :               0.00000765509291
              6 vec=     0.209805      5.868041     13.854224   |vec|=   15.047174
                2s
                   +0 :              -0.00024856852660
                2p
                   -1 :              -0.00005046665866
                   +0 :              -0.00000793495782
                   +1 :               0.00002896060201
                3s
                   +0 :               0.00076518154804
                4s
                   +0 :              -0.00010813505654
                3p
                   -1 :               0.00013876033782
                   +0 :              -0.00006871814539
                   +1 :              -0.00007572242519
                4p
                   -1 :               0.00001330729164
                   +0 :               0.00006543217293
                   +1 :              -0.00000327668650
                3d
                   -2 :               0.00003816586431
                   -1 :              -0.00001614762574
                   +0 :              -0.00009682734313
                   +1 :              -0.00002690514130
                   +2 :              -0.00011873877185
              7 vec=    -7.570358     -7.607596    -10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00001472895719
                2p
                   -1 :               0.00003614533989
                   +0 :               0.00002079150468
                   +1 :              -0.00001661488933
                3s
                   +0 :              -0.00000533103122
                4s
                   +0 :              -0.00002277925943
                3p
                   -1 :              -0.00020874202742
                   +0 :              -0.00020641684044
                   +1 :              -0.00000938807077
                4p
                   -1 :               0.00004306233842
                   +0 :               0.00004811095909
                   +1 :               0.00003290009145
                3d
                   -2 :               0.00004181938267
                   -1 :               0.00003473379276
                   +0 :              -0.00004222293192
                   +1 :               0.00003720974992
                   +2 :               0.00000691509428
              8 vec=     7.989968     -7.607596    -10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00009480944672
                2p
                   -1 :              -0.00003143814830
                   +0 :               0.00000484266463
                   +1 :              -0.00000348299702
                3s
                   +0 :              -0.00026602528727
                4s
                   +0 :              -0.00002128014619
                3p
                   -1 :               0.00016103823633
                   +0 :              -0.00010471796184
                   +1 :               0.00008009494885
                4p
                   -1 :              -0.00001144345718
                   +0 :               0.00007296493948
                   +1 :              -0.00004982764563
                3d
                   -2 :              -0.00004035514936
                   -1 :              -0.00000132164552
                   +0 :               0.00001041892677
                   +1 :              -0.00001130244526
                   +2 :               0.00004379101083
              9 vec=    -7.570358      1.376162     13.854224   |vec|=   15.847513
                2s
                   +0 :              -0.00007024584193
                2p
                   -1 :              -0.00003669882678
                   +0 :              -0.00001056784754
                   +1 :              -0.00000502631354
                3s
                   +0 :               0.00022722203949
                4s
                   +0 :              -0.00011193237740
                3p
                   -1 :              -0.00016039339963
                   +0 :               0.00011981812803
                   +1 :              -0.00026791285492
                4p
                   -1 :              -0.00003905788809
                   +0 :              -0.00005405714694
                   +1 :               0.00002394214804
                3d
                   -2 :               0.00005288734118
                   -1 :               0.00000994218325
                   +0 :               0.00002047181898
                   +1 :              -0.00001998890802
                   +2 :               0.00005643793989
             10 vec=     7.989968      1.376162     13.854224   |vec|=   16.052194
                2s
                   +0 :               0.00001752738103
                2p
                   -1 :              -0.00005788763667
                   +0 :               0.00000555630410
                   +1 :               0.00006031804005
                3s
                   +0 :               0.00019221333364
                4s
                   +0 :               0.00004736360120
                3p
                   -1 :               0.00012752407404
                   +0 :               0.00004133665316
                   +1 :              -0.00016848362343
                4p
                   -1 :              -0.00004350711622
                   +0 :               0.00000527148934
                   +1 :               0.00012585684927
                3d
                   -2 :              -0.00011142676254
                   -1 :              -0.00000865049301
                   +0 :              -0.00000206784151
                   +1 :               0.00003929179550
                   +2 :               0.00007414083974
             11 vec=     0.209805    -12.099475    -10.693319   |vec|=   16.148943
                2s
                   +0 :              -0.00022004407984
                2p
                   -1 :               0.00008729331695
                   +0 :               0.00007887147215
                   +1 :              -0.00000753198043
                3s
                   +0 :               0.00074144750997
                4s
                   +0 :              -0.00032765339522
                3p
                   -1 :              -0.00039815525393
                   +0 :              -0.00035539035899
                   +1 :               0.00002550769286
                4p
                   -1 :               0.00010772589922
                   +0 :               0.00014093542136
                   +1 :               0.00000950034229
                3d
                   -2 :              -0.00001833273832
                   -1 :               0.00006138160173
                   +0 :               0.00002140802532
                   +1 :              -0.00000970078313
                   +2 :              -0.00003624499741
             12 vec=    -7.570358     10.359920    -10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00007079530349
                2p
                   -1 :              -0.00003124094287
                   +0 :               0.00004330165099
                   +1 :               0.00000912098774
                3s
                   +0 :               0.00034999334263
                4s
                   +0 :              -0.00010542438080
                3p
                   -1 :               0.00023906247559
                   +0 :              -0.00029922467766
                   +1 :              -0.00015070572390
                4p
                   -1 :              -0.00003928538814
                   +0 :               0.00006619607636
                   +1 :               0.00003956300149
                3d
                   -2 :              -0.00001998281599
                   -1 :              -0.00007457454587
                   +0 :               0.00004805995627
                   +1 :               0.00004672340056
                   +2 :              -0.00005949574841
             13 vec=     7.989968     10.359920    -10.693319   |vec|=   16.897177
                2s
                   +0 :               0.00003125241397
                2p
                   -1 :              -0.00000921602145
                   +0 :              -0.00000634620108
                   +1 :              -0.00000307626386
                3s
                   +0 :              -0.00011078053135
                4s
                   +0 :               0.00000101704348
                3p
                   -1 :               0.00011900211670
                   +0 :               0.00002723979676
                   +1 :               0.00004752829076
                4p
                   -1 :              -0.00004228458420
                   +0 :               0.00000761172990
                   +1 :              -0.00002058486796
                3d
                   -2 :               0.00003178879652
                   -1 :              -0.00002162171778
                   +0 :              -0.00001894951602
                   +1 :               0.00001203957670
                   +2 :              -0.00001064033393
             14 vec=    -7.570358     -7.607596     13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00005980284977
                2p
                   -1 :              -0.00002260557265
                   +0 :               0.00003654896305
                   +1 :              -0.00001784408518
                3s
                   +0 :               0.00003090089843
                4s
                   +0 :               0.00010385893426
                3p
                   -1 :               0.00002960279534
                   +0 :              -0.00023321022954
                   +1 :              -0.00035270695341
                4p
                   -1 :              -0.00005288720842
                   +0 :               0.00008276540571
                   +1 :               0.00001434478674
                3d
                   -2 :               0.00007640510039
                   -1 :               0.00001018805410
                   +0 :              -0.00009884483530
                   +1 :              -0.00001108946708
                   +2 :               0.00005615777468
             15 vec=     7.989968     -7.607596     13.854224   |vec|=   17.710297
                2s
                   +0 :               0.00003991819075
                2p
                   -1 :              -0.00003745951955
                   +0 :               0.00000967366030
                   +1 :               0.00002298019398
                3s
                   +0 :               0.00013099363016
                4s
                   +0 :               0.00002004917211
                3p
                   -1 :               0.00003534258327
                   +0 :               0.00001013073314
                   +1 :               0.00002727176981
                4p
                   -1 :              -0.00003543319065
                   +0 :               0.00000150133790
                   +1 :               0.00000678372957
                3d
                   -2 :              -0.00001352896598
                   -1 :              -0.00000292269793
                   +0 :              -0.00001998754318
                   +1 :              -0.00000219857321
                   +2 :               0.00000018127935
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al(  8)  npairs=  13
              1 vec=     0.209805     -3.115717      6.601898   |vec|=    7.303202
                2s
                   +0 :              -0.00187982650709
                2p
                   -1 :               0.00125222978386
                   +0 :              -0.00140320201955
                   +1 :               0.00016527186973
                3s
                   +0 :               0.00937756180271
                4s
                   +0 :              -0.00374358960356
                3p
                   -1 :              -0.00275406377257
                   +0 :               0.00073228566024
                   +1 :              -0.00045202066343
                4p
                   -1 :               0.00115776209344
                   +0 :              -0.00222189979895
                   +1 :               0.00054847249275
                3d
                   -2 :              -0.00038978206457
                   -1 :               0.00204717423030
                   +0 :              -0.00238746169867
                   +1 :              -0.00017409635558
                   +2 :               0.00315250365283
              2 vec=     0.209805      5.868041      6.601898   |vec|=    8.835326
                2s
                   +0 :              -0.00138137754802
                2p
                   -1 :              -0.00015679655919
                   +0 :              -0.00019652028291
                   +1 :               0.00017283859466
                3s
                   +0 :               0.01702249672746
                4s
                   +0 :              -0.00076452006638
                3p
                   -1 :               0.01085374252648
                   +0 :               0.00931028407569
                   +1 :              -0.00070282614405
                4p
                   -1 :               0.00009249815269
                   +0 :               0.00011503380926
                   +1 :               0.00024526015708
                3d
                   -2 :              -0.00017935071408
                   -1 :               0.00434839106471
                   +0 :               0.00047570411217
                   +1 :              -0.00030903107232
                   +2 :              -0.00266984623431
              3 vec=    -7.570358      1.376162      6.601898   |vec|=   10.138500
                2s
                   +0 :               0.00068110576208
                2p
                   -1 :              -0.00076373472153
                   +0 :               0.00039056962458
                   +1 :               0.00020031797010
                3s
                   +0 :               0.00018118321855
                4s
                   +0 :              -0.00067242993285
                3p
                   -1 :               0.00345633459207
                   +0 :              -0.00111960704439
                   +1 :              -0.00252919599419
                4p
                   -1 :              -0.00080050216182
                   +0 :              -0.00014547684374
                   +1 :               0.00101514176661
                3d
                   -2 :              -0.00078960035152
                   -1 :               0.00053048968030
                   +0 :               0.00031918946195
                   +1 :              -0.00018180086554
                   +2 :               0.00116935601107
              4 vec=     7.989968      1.376162      6.601898   |vec|=   10.455547
                2s
                   +0 :              -0.00073587968717
                2p
                   -1 :               0.00017375134249
                   +0 :              -0.00020912847737
                   +1 :              -0.00037631283744
                3s
                   +0 :               0.00251921672536
                4s
                   +0 :              -0.00059014835122
                3p
                   -1 :              -0.00112769308526
                   +0 :               0.00076015302340
                   +1 :               0.00183114772581
                4p
                   -1 :               0.00022422246270
                   +0 :              -0.00021203086824
                   +1 :              -0.00015071914228
                3d
                   -2 :              -0.00019127958062
                   -1 :               0.00016256402863
                   +0 :               0.00033615227698
                   +1 :               0.00000427340934
                   +2 :               0.00025246863448
              5 vec=    -7.570358     -7.607596      6.601898   |vec|=   12.600432
                2s
                   +0 :              -0.00027859942183
                2p
                   -1 :              -0.00005079888674
                   +0 :              -0.00020721173280
                   +1 :               0.00011042833013
                3s
                   +0 :               0.00069199478467
                4s
                   +0 :              -0.00016758050257
                3p
                   -1 :               0.00072683462764
                   +0 :               0.00113147697332
                   +1 :              -0.00039632872584
                4p
                   -1 :              -0.00013111387643
                   +0 :              -0.00019473724868
                   +1 :               0.00010993299004
                3d
                   -2 :              -0.00029119958620
                   -1 :               0.00022182747956
                   +0 :               0.00017696337411
                   +1 :              -0.00023660506731
                   +2 :               0.00028495266845
              6 vec=     7.989968     -7.607596      6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00036768839176
                2p
                   -1 :              -0.00006713202355
                   +0 :               0.00019853277633
                   +1 :               0.00014003847738
                3s
                   +0 :              -0.00124902570013
                4s
                   +0 :               0.00043697223316
                3p
                   -1 :               0.00047496048952
                   +0 :              -0.00086439052012
                   +1 :              -0.00072276743210
                4p
                   -1 :              -0.00007726659501
                   +0 :               0.00020317927246
                   +1 :               0.00015423988287
                3d
                   -2 :               0.00011163641194
                   -1 :               0.00018800051635
                   +0 :              -0.00006085925471
                   +1 :              -0.00015575056524
                   +2 :              -0.00005967880195
              7 vec=     0.209805    -12.099475      6.601898   |vec|=   13.785005
                2s
                   +0 :               0.00011744645610
                2p
                   -1 :               0.00000560373892
                   +0 :               0.00005039332589
                   +1 :               0.00004058170948
                3s
                   +0 :              -0.00000332193751
                4s
                   +0 :               0.00011584611459
                3p
                   -1 :              -0.00022652717658
                   +0 :              -0.00032149248295
                   +1 :              -0.00017560389278
                4p
                   -1 :              -0.00000249491874
                   +0 :               0.00004534482660
                   +1 :               0.00001015406714
                3d
                   -2 :              -0.00001992250987
                   -1 :               0.00006388885070
                   +0 :               0.00004946870084
                   +1 :              -0.00002229780590
                   +2 :              -0.00012634973504
              8 vec=    -7.570358     10.359920      6.601898   |vec|=   14.429945
                2s
                   +0 :               0.00003222695140
                2p
                   -1 :               0.00001608780018
                   +0 :               0.00002634443295
                   +1 :               0.00002480248312
                3s
                   +0 :              -0.00021924098707
                4s
                   +0 :               0.00021576025901
                3p
                   -1 :              -0.00023811118030
                   +0 :              -0.00027627904796
                   +1 :              -0.00011185847223
                4p
                   -1 :               0.00014764898823
                   +0 :               0.00013564468093
                   +1 :              -0.00003847713320
                3d
                   -2 :              -0.00010614391746
                   -1 :              -0.00005902773128
                   +0 :              -0.00007287660506
                   +1 :               0.00003394406182
                   +2 :               0.00001262832323
              9 vec=     7.989968     10.359920      6.601898   |vec|=   14.654439
                2s
                   +0 :              -0.00006679282690
                2p
                   -1 :              -0.00003010322289
                   +0 :              -0.00001124327506
                   +1 :              -0.00006586698832
                3s
                   +0 :               0.00022475757512
                4s
                   +0 :              -0.00011428153539
                3p
                   -1 :               0.00008543561632
                   +0 :               0.00013398896110
                   +1 :               0.00035491314031
                4p
                   -1 :              -0.00003827791995
                   +0 :              -0.00007126840135
                   +1 :              -0.00010647524337
                3d
                   -2 :               0.00003697658415
                   -1 :               0.00000418354091
                   +0 :              -0.00004204034850
                   +1 :               0.00003099511476
                   +2 :               0.00003914193826
             10 vec=     0.209805     14.851799      6.601898   |vec|=   16.254384
                2s
                   +0 :              -0.00005026852040
                2p
                   -1 :               0.00001493542876
                   +0 :              -0.00001611915782
                   +1 :               0.00001491649234
                3s
                   +0 :               0.00024154914949
                4s
                   +0 :              -0.00009714590575
                3p
                   -1 :              -0.00003142108025
                   +0 :               0.00011790980347
                   +1 :              -0.00005566168907
                4p
                   -1 :              -0.00000513131149
                   +0 :              -0.00003833822923
                   +1 :               0.00002515089633
                3d
                   -2 :              -0.00001377211427
                   -1 :               0.00002134043022
                   +0 :               0.00004452258082
                   +1 :              -0.00003941714644
                   +2 :               0.00001480270471
             11 vec=   -15.350520     -3.115717      6.601898   |vec|=   16.997977
                2s
                   +0 :              -0.00002666389459
                2p
                   -1 :               0.00001785911508
                   +0 :               0.00000011506353
                   +1 :              -0.00001513699197
                3s
                   +0 :               0.00010576916117
                4s
                   +0 :              -0.00004561705718
                3p
                   -1 :              -0.00021503025489
                   +0 :               0.00011155737663
                   +1 :               0.00005957794933
                4p
                   -1 :               0.00004254459262
                   +0 :               0.00000104361710
                   +1 :              -0.00001356172112
                3d
                   -2 :               0.00001550800748
                   -1 :              -0.00003388082000
                   +0 :               0.00001876620832
                   +1 :              -0.00000686787087
                   +2 :               0.00001628500184
             12 vec=    15.770130     -3.115717      6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00001661685126
                2p
                   -1 :              -0.00000455892537
                   +0 :              -0.00001384047295
                   +1 :               0.00001051938621
                3s
                   +0 :               0.00009526796397
                4s
                   +0 :              -0.00005289880518
                3p
                   -1 :               0.00002863603727
                   +0 :               0.00006177860223
                   +1 :               0.00000829336495
                4p
                   -1 :              -0.00001252875903
                   +0 :              -0.00001640960559
                   +1 :              -0.00001551049163
                3d
                   -2 :              -0.00001623935750
                   -1 :              -0.00000161185403
                   +0 :               0.00002351061856
                   +1 :               0.00004840962850
                   +2 :              -0.00001136408727
             13 vec=   -15.350520      5.868041      6.601898   |vec|=   17.710376
                2s
                   +0 :              -0.00004004783229
                2p
                   -1 :              -0.00003748410009
                   +0 :               0.00001600812741
                   +1 :               0.00001236886195
                3s
                   +0 :               0.00021264674161
                4s
                   +0 :              -0.00007975015977
                3p
                   -1 :               0.00019107714399
                   +0 :              -0.00006126404808
                   +1 :              -0.00008409379916
                4p
                   -1 :              -0.00004786972277
                   +0 :               0.00000480512474
                   +1 :               0.00002975543472
                3d
                   -2 :              -0.00003918038242
                   -1 :              -0.00000879805020
                   +0 :               0.00001791721116
                   +1 :               0.00003638847049
                   +2 :               0.00001319665631
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al(  9)  npairs=  14
              1 vec=    -2.383582      1.376162      2.510804   |vec|=    3.725510
                2s
                   +0 :               0.02023248405455
                2p
                   -1 :               0.01048795363303
                   +0 :               0.01896901010968
                   +1 :              -0.02364724344059
                3s
                   +0 :               0.08004822279349
                4s
                   +0 :               0.00518501211225
                3p
                   -1 :               0.03251404796331
                   +0 :               0.02884174160130
                   +1 :              -0.04289451724408
                4p
                   -1 :               0.00381909475200
                   +0 :               0.01023757031812
                   +1 :              -0.01221522941874
                3d
                   -2 :              -0.03211423919654
                   -1 :               0.01856206384747
                   +0 :              -0.00894706311963
                   +1 :              -0.03376238867561
                   +2 :               0.02013129533670
              2 vec=     5.396580     -3.115717      2.510804   |vec|=    6.718252
                2s
                   +0 :              -0.00248141476527
                2p
                   -1 :               0.00027915718314
                   +0 :              -0.00036174616658
                   +1 :              -0.00194584848488
                3s
                   +0 :               0.01002976885260
                4s
                   +0 :              -0.00597355466445
                3p
                   -1 :              -0.00047261709491
                   +0 :              -0.00080708543283
                   +1 :               0.00830024927533
                4p
                   -1 :               0.00089198293769
                   +0 :              -0.00122659702218
                   +1 :              -0.00353608802167
                3d
                   -2 :              -0.00060628580713
                   -1 :              -0.00049636483073
                   +0 :               0.00272131335335
                   +1 :               0.00001772395554
                   +2 :               0.00048714441892
              3 vec=    -2.383582     -7.607596      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00071591847251
                2p
                   -1 :              -0.00051120850775
                   +0 :               0.00035776383322
                   +1 :              -0.00018567299859
                3s
                   +0 :              -0.00665241068220
                4s
                   +0 :               0.00280357897513
                3p
                   -1 :               0.00562898608787
                   +0 :              -0.00433529867274
                   +1 :               0.00116153528966
                4p
                   -1 :              -0.00173700321727
                   +0 :               0.00122935944273
                   +1 :              -0.00090928051951
                3d
                   -2 :              -0.00022951544882
                   -1 :               0.00113211380047
                   +0 :              -0.00046487584838
                   +1 :               0.00051975933547
                   +2 :               0.00075573224072
              4 vec=     5.396580      5.868041      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00124040327237
                2p
                   -1 :               0.00013543462144
                   +0 :               0.00028733080544
                   +1 :               0.00045079751590
                3s
                   +0 :              -0.00459810262372
                4s
                   +0 :               0.00199385045316
                3p
                   -1 :              -0.00194603991088
                   +0 :              -0.00192249555415
                   +1 :              -0.00266790341156
                4p
                   -1 :               0.00029314619826
                   +0 :               0.00076776494422
                   +1 :               0.00057036370491
                3d
                   -2 :              -0.00035872242092
                   -1 :               0.00023857400663
                   +0 :              -0.00007674079890
                   +1 :              -0.00032585870876
                   +2 :              -0.00051555585616
              5 vec=   -10.163745     -3.115717      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00015396810171
                2p
                   -1 :              -0.00008158208297
                   +0 :               0.00002980391958
                   +1 :               0.00002232957772
                3s
                   +0 :               0.00095990704502
                4s
                   +0 :              -0.00027786986793
                3p
                   -1 :              -0.00075862084865
                   +0 :              -0.00005224611092
                   +1 :              -0.00071983238083
                4p
                   -1 :               0.00025269192889
                   +0 :              -0.00011771261813
                   +1 :               0.00031224392653
                3d
                   -2 :               0.00019926781673
                   -1 :               0.00011185373237
                   +0 :              -0.00003947489075
                   +1 :              -0.00013380876767
                   +2 :              -0.00016160768727
              6 vec=    -2.383582     10.359920      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00022725800338
                2p
                   -1 :               0.00029356248275
                   +0 :              -0.00037570413243
                   +1 :               0.00002889375119
                3s
                   +0 :               0.00105353117028
                4s
                   +0 :              -0.00015736936642
                3p
                   -1 :               0.00001486216113
                   +0 :               0.00161986981092
                   +1 :               0.00005419158796
                4p
                   -1 :               0.00015582354979
                   +0 :              -0.00047878704979
                   +1 :               0.00007721920825
                3d
                   -2 :               0.00029502437172
                   -1 :               0.00016360653740
                   +0 :              -0.00000705240173
                   +1 :              -0.00018180099607
                   +2 :              -0.00018339211523
              7 vec=   -10.163745      5.868041      2.510804   |vec|=   12.001657
                2s
                   +0 :              -0.00016335477551
                2p
                   -1 :              -0.00017321922799
                   +0 :              -0.00006039898991
                   +1 :              -0.00014315318054
                3s
                   +0 :               0.00021787007387
                4s
                   +0 :               0.00052127727618
                3p
                   -1 :               0.00062831640263
                   +0 :               0.00041491135490
                   +1 :               0.00107595984603
                4p
                   -1 :               0.00010805549126
                   +0 :              -0.00018798627868
                   +1 :              -0.00061396486880
                3d
                   -2 :              -0.00026832617503
                   -1 :               0.00015655913325
                   +0 :               0.00006558466341
                   +1 :              -0.00001578609815
                   +2 :              -0.00030611532609
              8 vec=     5.396580    -12.099475      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00013979570317
                2p
                   -1 :              -0.00004397853237
                   +0 :               0.00007875200608
                   +1 :              -0.00002492107086
                3s
                   +0 :              -0.00050874877494
                4s
                   +0 :               0.00009641296460
                3p
                   -1 :               0.00026198413560
                   +0 :              -0.00046394001945
                   +1 :               0.00022950584842
                4p
                   -1 :              -0.00003217510482
                   +0 :               0.00005356402474
                   +1 :              -0.00007240899803
                3d
                   -2 :              -0.00017973824496
                   -1 :               0.00012029209696
                   +0 :              -0.00006396835067
                   +1 :               0.00004637475467
                   +2 :               0.00006904006674
              9 vec=    13.176743      1.376162      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00014965220945
                2p
                   -1 :              -0.00003146278703
                   +0 :              -0.00006378262132
                   +1 :               0.00002971884451
                3s
                   +0 :              -0.00040963559557
                4s
                   +0 :               0.00005399387155
                3p
                   -1 :               0.00017489929039
                   +0 :               0.00019340612204
                   +1 :              -0.00004664866055
                4p
                   -1 :              -0.00003736505689
                   +0 :              -0.00002825880923
                   +1 :              -0.00005315079005
                3d
                   -2 :               0.00000219460336
                   -1 :              -0.00005427568069
                   +0 :               0.00002345424741
                   +1 :               0.00001496376266
                   +2 :               0.00001674585020
             10 vec=    13.176743     -7.607596      2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00001308026226
                2p
                   -1 :               0.00002781105833
                   +0 :               0.00002127314989
                   +1 :              -0.00003090376123
                3s
                   +0 :               0.00002547912232
                4s
                   +0 :              -0.00002518678008
                3p
                   -1 :              -0.00016931818761
                   +0 :              -0.00013473590306
                   +1 :               0.00012686997868
                4p
                   -1 :               0.00004511551221
                   +0 :               0.00002432806394
                   +1 :              -0.00004723126053
                3d
                   -2 :              -0.00005987637229
                   -1 :               0.00004189209789
                   +0 :              -0.00000574164746
                   +1 :              -0.00002498543937
                   +2 :               0.00000337257872
             11 vec=   -10.163745    -12.099475      2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00000429607915
                2p
                   -1 :               0.00001628255949
                   +0 :              -0.00001444242632
                   +1 :              -0.00002178074067
                3s
                   +0 :               0.00035194925738
                4s
                   +0 :              -0.00002346983923
                3p
                   -1 :              -0.00013580432990
                   +0 :              -0.00011813101308
                   +1 :              -0.00009218625725
                4p
                   -1 :               0.00004104171376
                   +0 :               0.00000134705995
                   +1 :              -0.00001594209654
                3d
                   -2 :               0.00000332373992
                   -1 :               0.00004545022199
                   +0 :               0.00004048721997
                   +1 :               0.00003731294817
                   +2 :               0.00003670684537
             12 vec=     5.396580     14.851799      2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00000526576325
                2p
                   -1 :              -0.00002401563756
                   +0 :               0.00002707696174
                   +1 :               0.00003887455953
                3s
                   +0 :               0.00014773015770
                4s
                   +0 :              -0.00008708553706
                3p
                   -1 :               0.00023232339491
                   +0 :              -0.00015611107450
                   +1 :              -0.00024173442524
                4p
                   -1 :              -0.00008346066484
                   +0 :               0.00003481162645
                   +1 :               0.00004724603685
                3d
                   -2 :              -0.00001580260347
                   -1 :              -0.00001036015078
                   +0 :              -0.00000724037856
                   +1 :              -0.00001653923867
                   +2 :              -0.00003314559401
             13 vec=    -2.383582    -16.591354      2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00002316256595
                2p
                   -1 :              -0.00000383607055
                   +0 :               0.00000039487258
                   +1 :               0.00002126594642
                3s
                   +0 :               0.00008777489134
                4s
                   +0 :               0.00001252326570
                3p
                   -1 :               0.00003179316771
                   +0 :              -0.00001282403456
                   +1 :              -0.00012974956138
                4p
                   -1 :              -0.00002386660778
                   +0 :              -0.00000553559938
                   +1 :               0.00003851632424
                3d
                   -2 :               0.00003127781280
                   -1 :              -0.00000635955433
                   +0 :              -0.00001002130162
                   +1 :              -0.00000688249704
                   +2 :              -0.00000084354991
             14 vec=    13.176743     10.359920      2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00001066551464
                2p
                   -1 :               0.00001775918587
                   +0 :              -0.00000496636979
                   +1 :              -0.00000143614124
                3s
                   +0 :              -0.00004788112019
                4s
                   +0 :               0.00004244506190
                3p
                   -1 :              -0.00009669671936
                   +0 :               0.00000474667844
                   +1 :              -0.00001746747678
                4p
                   -1 :               0.00002659805032
                   +0 :               0.00000059581642
                   +1 :               0.00002473078627
                3d
                   -2 :              -0.00000840936237
                   -1 :              -0.00000105593183
                   +0 :               0.00001434012579
                   +1 :               0.00000146898590
                   +2 :               0.00001335440518
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al( 10)  npairs=  13
              1 vec=    -2.383582      1.376162      9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00034298862021
                2p
                   -1 :               0.00016227962375
                   +0 :              -0.00014542048307
                   +1 :              -0.00015907951351
                3s
                   +0 :               0.00073195805569
                4s
                   +0 :              -0.00017072011481
                3p
                   -1 :              -0.00076026800887
                   +0 :               0.00126181467598
                   +1 :               0.00071007363860
                4p
                   -1 :               0.00006892435147
                   +0 :              -0.00041945297723
                   +1 :               0.00007460707930
                3d
                   -2 :              -0.00002228425834
                   -1 :               0.00002539078650
                   +0 :              -0.00001393487089
                   +1 :              -0.00032050834968
                   +2 :               0.00020530860942
              2 vec=     5.396580     -3.115717      9.763130   |vec|=   11.582292
                2s
                   +0 :              -0.00005658939499
                2p
                   -1 :              -0.00035904208140
                   +0 :              -0.00013073990364
                   +1 :              -0.00020256706768
                3s
                   +0 :               0.00113670055085
                4s
                   +0 :              -0.00058661712109
                3p
                   -1 :               0.00131361926437
                   +0 :               0.00166546630861
                   +1 :               0.00124518177723
                4p
                   -1 :              -0.00012287285446
                   +0 :              -0.00071143956804
                   +1 :              -0.00032171029711
                3d
                   -2 :               0.00008457634919
                   -1 :               0.00023128578127
                   +0 :               0.00041311803877
                   +1 :               0.00027065109703
                   +2 :               0.00024607881151
              3 vec=    -2.383582     -7.607596      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00032473178881
                2p
                   -1 :              -0.00031670480770
                   +0 :               0.00013458611986
                   +1 :               0.00000986614577
                3s
                   +0 :               0.00139977116754
                4s
                   +0 :               0.00011326033834
                3p
                   -1 :              -0.00090184547741
                   +0 :               0.00007694111005
                   +1 :               0.00004280131572
                4p
                   -1 :              -0.00016397962060
                   +0 :              -0.00006184024325
                   +1 :              -0.00001315583472
                3d
                   -2 :              -0.00002691557466
                   -1 :               0.00000504412298
                   +0 :              -0.00032863774819
                   +1 :               0.00003902170400
                   +2 :              -0.00029872957752
              4 vec=     5.396580      5.868041      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00008891223754
                2p
                   -1 :              -0.00012625876968
                   +0 :              -0.00005008522284
                   +1 :               0.00025379506273
                3s
                   +0 :               0.00141438856655
                4s
                   +0 :              -0.00023056626278
                3p
                   -1 :               0.00204588160471
                   +0 :               0.00102294849625
                   +1 :              -0.00003228638798
                4p
                   -1 :              -0.00045443479879
                   +0 :              -0.00030551090456
                   +1 :               0.00016452826266
                3d
                   -2 :               0.00041674422597
                   -1 :               0.00043855084146
                   +0 :              -0.00017411969290
                   +1 :               0.00009824381627
                   +2 :              -0.00031007385731
              5 vec=   -10.163745     -3.115717      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00005434506065
                2p
                   -1 :               0.00006110819839
                   +0 :              -0.00003172516257
                   +1 :              -0.00007498869390
                3s
                   +0 :              -0.00026985245512
                4s
                   +0 :               0.00003291650866
                3p
                   -1 :              -0.00049098513455
                   +0 :               0.00047267953978
                   +1 :               0.00061935784951
                4p
                   -1 :              -0.00000774322023
                   +0 :               0.00003405547540
                   +1 :              -0.00015583306219
                3d
                   -2 :               0.00009794400589
                   -1 :               0.00011229626062
                   +0 :               0.00014787078144
                   +1 :              -0.00020257754334
                   +2 :              -0.00009193170544
              6 vec=    -2.383582     10.359920      9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00000243420846
                2p
                   -1 :              -0.00001748582467
                   +0 :               0.00004056392088
                   +1 :               0.00003201681185
                3s
                   +0 :               0.00031164662988
                4s
                   +0 :              -0.00002665108498
                3p
                   -1 :               0.00014311761278
                   +0 :              -0.00015304549664
                   +1 :              -0.00018165733080
                4p
                   -1 :              -0.00005841510099
                   +0 :               0.00005440741719
                   +1 :               0.00004864572898
                3d
                   -2 :               0.00000860516040
                   -1 :              -0.00001741157017
                   +0 :              -0.00003140870386
                   +1 :              -0.00001246433304
                   +2 :               0.00003818383542
              7 vec=    -2.383582      1.376162    -14.784412   |vec|=   15.038422
                2s
                   +0 :              -0.00002564622489
                2p
                   -1 :               0.00007991287698
                   +0 :               0.00001722852384
                   +1 :               0.00009143672163
                3s
                   +0 :              -0.00022015832104
                4s
                   +0 :               0.00006746067478
                3p
                   -1 :              -0.00037844738176
                   +0 :               0.00014388333316
                   +1 :              -0.00053558252669
                4p
                   -1 :               0.00012352244248
                   +0 :              -0.00006592959905
                   +1 :               0.00010690719224
                3d
                   -2 :              -0.00000500403958
                   -1 :               0.00000389598536
                   +0 :              -0.00005010364160
                   +1 :               0.00009729167104
                   +2 :              -0.00003604987105
              8 vec=   -10.163745      5.868041      9.763130   |vec|=   15.266117
                2s
                   +0 :               0.00014931370438
                2p
                   -1 :               0.00008887782759
                   +0 :               0.00012137631612
                   +1 :              -0.00007906189665
                3s
                   +0 :              -0.00041048157269
                4s
                   +0 :               0.00016712045452
                3p
                   -1 :              -0.00040568692388
                   +0 :              -0.00041695568967
                   +1 :               0.00038362193265
                4p
                   -1 :               0.00006380508201
                   +0 :               0.00012496071738
                   +1 :              -0.00012699123307
                3d
                   -2 :               0.00012465022216
                   -1 :              -0.00009684533884
                   +0 :              -0.00000026960095
                   +1 :               0.00012817973700
                   +2 :              -0.00000548041602
              9 vec=     5.396580     -3.115717    -14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00003532915940
                2p
                   -1 :               0.00001766528170
                   +0 :              -0.00000676203360
                   +1 :               0.00001077280742
                3s
                   +0 :              -0.00015626088059
                4s
                   +0 :              -0.00000528719381
                3p
                   -1 :              -0.00010505792806
                   +0 :              -0.00006086272462
                   +1 :               0.00012255194164
                4p
                   -1 :               0.00001703709966
                   +0 :               0.00004899296760
                   +1 :              -0.00004027156732
                3d
                   -2 :               0.00001660242848
                   -1 :               0.00003291958933
                   +0 :              -0.00001570629791
                   +1 :              -0.00002996878673
                   +2 :               0.00001372299416
             10 vec=     5.396580    -12.099475      9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00000524900523
                2p
                   -1 :              -0.00001096191807
                   +0 :               0.00001977822761
                   +1 :              -0.00004046592795
                3s
                   +0 :               0.00007623776894
                4s
                   +0 :               0.00000433110974
                3p
                   -1 :               0.00010059425308
                   +0 :              -0.00006294806172
                   +1 :               0.00019795906185
                4p
                   -1 :              -0.00001770786915
                   +0 :               0.00002662856456
                   +1 :              -0.00006215060231
                3d
                   -2 :              -0.00001404222645
                   -1 :               0.00002455500747
                   +0 :               0.00002052176125
                   +1 :               0.00000014326405
                   +2 :               0.00002285604658
             11 vec=    13.176743      1.376162      9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00004586262174
                2p
                   -1 :              -0.00001959885329
                   +0 :               0.00000914203615
                   +1 :              -0.00001537335522
                3s
                   +0 :               0.00014042019997
                4s
                   +0 :              -0.00003129435142
                3p
                   -1 :               0.00007563408337
                   +0 :              -0.00007620568567
                   +1 :               0.00003950507461
                4p
                   -1 :              -0.00002179736603
                   +0 :               0.00003298773605
                   +1 :              -0.00000938631066
                3d
                   -2 :               0.00001346095844
                   -1 :               0.00000777370766
                   +0 :               0.00000088794617
                   +1 :              -0.00002321432589
                   +2 :              -0.00002077702685
             12 vec=    -2.383582     -7.607596    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00010486338287
                2p
                   -1 :              -0.00001664881379
                   +0 :              -0.00002202597586
                   +1 :               0.00003029961574
                3s
                   +0 :              -0.00056180436691
                4s
                   +0 :               0.00014506930156
                3p
                   -1 :               0.00019249573654
                   +0 :               0.00015196365376
                   +1 :               0.00009354506386
                4p
                   -1 :              -0.00004317571352
                   +0 :              -0.00002926616851
                   +1 :               0.00001063937088
                3d
                   -2 :              -0.00011184666674
                   -1 :              -0.00002137506700
                   +0 :               0.00005734688071
                   +1 :              -0.00003123938672
                   +2 :              -0.00003597760184
             13 vec=     5.396580      5.868041    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00003067376972
                2p
                   -1 :              -0.00000824196161
                   +0 :               0.00000503759000
                   +1 :               0.00000188341137
                3s
                   +0 :              -0.00036504831407
                4s
                   +0 :               0.00006947261130
                3p
                   -1 :              -0.00008865104540
                   +0 :               0.00004689293778
                   +1 :              -0.00001554987808
                4p
                   -1 :               0.00000205078278
                   +0 :              -0.00001995062572
                   +1 :              -0.00001623705257
                3d
                   -2 :               0.00007652425394
                   -1 :               0.00000980065204
                   +0 :               0.00006382390490
                   +1 :              -0.00004029863983
                   +2 :               0.00004486658932
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al( 11)  npairs=  14
              1 vec=    -2.383582      1.376162     -2.510641   |vec|=    3.725400
                2s
                   +0 :              -0.02047357955697
                2p
                   -1 :              -0.01524731333838
                   +0 :               0.01886638982745
                   +1 :               0.02112211888463
                3s
                   +0 :              -0.08066125264686
                4s
                   +0 :              -0.00640252597938
                3p
                   -1 :              -0.02104006574403
                   +0 :               0.02929176991726
                   +1 :               0.05031844674972
                4p
                   -1 :              -0.00935324213490
                   +0 :               0.00986451209604
                   +1 :               0.01007872574378
                3d
                   -2 :               0.03428216964080
                   -1 :               0.01978237319685
                   +0 :               0.00938533784499
                   +1 :              -0.03296758613283
                   +2 :              -0.01775363839206
              2 vec=     5.396580     -3.115717     -2.510641   |vec|=    6.718191
                2s
                   +0 :               0.00198314842382
                2p
                   -1 :              -0.00130669437359
                   +0 :              -0.00043368135765
                   +1 :               0.00118481750686
                3s
                   +0 :              -0.00826281838925
                4s
                   +0 :               0.00514414166445
                3p
                   -1 :               0.00559745130983
                   +0 :              -0.00059279363524
                   +1 :              -0.00418795658579
                4p
                   -1 :              -0.00237910861120
                   +0 :              -0.00138217852259
                   +1 :               0.00217091453801
                3d
                   -2 :               0.00060374400554
                   -1 :               0.00000137382091
                   +0 :              -0.00280736818472
                   +1 :               0.00034403251275
                   +2 :              -0.00066851542858
              3 vec=    -2.383582     -7.607596     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00116452695431
                2p
                   -1 :               0.00036118234095
                   +0 :               0.00018274616986
                   +1 :              -0.00019398605167
                3s
                   +0 :               0.00465352757102
                4s
                   +0 :              -0.00219666874637
                3p
                   -1 :              -0.00275722495003
                   +0 :              -0.00129856525604
                   +1 :              -0.00028964112919
                4p
                   -1 :               0.00064911616299
                   +0 :               0.00048482311183
                   +1 :               0.00016115036672
                3d
                   -2 :              -0.00060775174918
                   -1 :               0.00026919015400
                   +0 :               0.00013245203614
                   +1 :              -0.00049103201661
                   +2 :              -0.00049534001875
              4 vec=     5.396580      5.868041     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00073290482761
                2p
                   -1 :              -0.00029907162323
                   +0 :               0.00041826633289
                   +1 :              -0.00030198221107
                3s
                   +0 :               0.00641383030011
                4s
                   +0 :              -0.00292047798239
                3p
                   -1 :               0.00330403727070
                   +0 :              -0.00478653103630
                   +1 :               0.00375093810947
                4p
                   -1 :              -0.00155152515716
                   +0 :               0.00130996107787
                   +1 :              -0.00099920930184
                3d
                   -2 :               0.00082935655862
                   -1 :              -0.00103048818917
                   +0 :               0.00038480496597
                   +1 :              -0.00098983526597
                   +2 :               0.00004911240827
              5 vec=   -10.163745     -3.115717     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00037516078037
                2p
                   -1 :               0.00012828377580
                   +0 :              -0.00036450212122
                   +1 :               0.00029766963900
                3s
                   +0 :              -0.00044190035100
                4s
                   +0 :               0.00014208421513
                3p
                   -1 :               0.00027832478564
                   +0 :               0.00157846747553
                   +1 :              -0.00033705492323
                4p
                   -1 :               0.00009176757961
                   +0 :              -0.00046195516816
                   +1 :               0.00010074713729
                3d
                   -2 :              -0.00030367000574
                   -1 :               0.00013630100038
                   +0 :              -0.00003361208900
                   +1 :              -0.00027612431191
                   +2 :               0.00021547140214
              6 vec=    -2.383582     10.359920     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00002887488199
                2p
                   -1 :               0.00008380859238
                   +0 :               0.00005684112624
                   +1 :              -0.00006719855743
                3s
                   +0 :              -0.00081225785835
                4s
                   +0 :               0.00045901499373
                3p
                   -1 :              -0.00138253789239
                   +0 :              -0.00004055475049
                   +1 :              -0.00003819274574
                4p
                   -1 :               0.00047034197204
                   +0 :              -0.00006215482368
                   +1 :               0.00001940245594
                3d
                   -2 :              -0.00019533982560
                   -1 :               0.00001893735162
                   +0 :               0.00011336831773
                   +1 :              -0.00011925098267
                   +2 :               0.00017898280769
              7 vec=   -10.163745      5.868041     -2.510641   |vec|=   12.001622
                2s
                   +0 :               0.00023189069848
                2p
                   -1 :              -0.00018262611509
                   +0 :              -0.00011577420549
                   +1 :              -0.00008111895431
                3s
                   +0 :              -0.00047060038860
                4s
                   +0 :              -0.00025769841352
                3p
                   -1 :               0.00113114897931
                   +0 :               0.00062674193263
                   +1 :               0.00013061329272
                4p
                   -1 :              -0.00042252316121
                   +0 :              -0.00018770441680
                   +1 :               0.00027348388428
                3d
                   -2 :              -0.00020193940393
                   -1 :              -0.00000681344351
                   +0 :              -0.00003171516049
                   +1 :              -0.00019440263110
                   +2 :              -0.00042675173126
              8 vec=     5.396580    -12.099475     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00016053262402
                2p
                   -1 :               0.00004516421459
                   +0 :              -0.00008402398428
                   +1 :              -0.00002738540567
                3s
                   +0 :               0.00035484792623
                4s
                   +0 :               0.00002672055806
                3p
                   -1 :              -0.00004968218558
                   +0 :               0.00032398819081
                   +1 :               0.00003871214359
                4p
                   -1 :              -0.00008239207320
                   +0 :              -0.00005835240769
                   +1 :               0.00002275720287
                3d
                   -2 :               0.00001503070955
                   -1 :              -0.00003085078782
                   +0 :               0.00000336905784
                   +1 :               0.00007404733172
                   +2 :              -0.00002028980739
              9 vec=    13.176743      1.376162     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00011347784577
                2p
                   -1 :               0.00000086970369
                   +0 :               0.00006925128965
                   +1 :               0.00002576053466
                3s
                   +0 :               0.00047116607936
                4s
                   +0 :              -0.00011612137055
                3p
                   -1 :               0.00008624396937
                   +0 :              -0.00036041956846
                   +1 :              -0.00008316925368
                4p
                   -1 :              -0.00004760525235
                   +0 :               0.00002535005880
                   +1 :               0.00001414917060
                3d
                   -2 :               0.00010761653365
                   -1 :              -0.00014336953471
                   +0 :               0.00005773126106
                   +1 :              -0.00011718397100
                   +2 :              -0.00022825790813
             10 vec=    13.176743     -7.607596     -2.510641   |vec|=   15.420940
                2s
                   +0 :               0.00001122677326
                2p
                   -1 :              -0.00003540682966
                   +0 :               0.00002632552473
                   +1 :               0.00003062265565
                3s
                   +0 :              -0.00002599131313
                4s
                   +0 :               0.00001740267122
                3p
                   -1 :               0.00015784437178
                   +0 :              -0.00014560443981
                   +1 :              -0.00013812458377
                4p
                   -1 :              -0.00005546057214
                   +0 :               0.00002262916118
                   +1 :               0.00003433226828
                3d
                   -2 :               0.00005210769251
                   -1 :               0.00002634126137
                   +0 :               0.00001028276142
                   +1 :              -0.00004327047156
                   +2 :              -0.00003104927074
             11 vec=   -10.163745    -12.099475     -2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00004400257361
                2p
                   -1 :               0.00002211289385
                   +0 :               0.00003876500835
                   +1 :              -0.00006537956871
                3s
                   +0 :              -0.00029566769017
                4s
                   +0 :               0.00010023268221
                3p
                   -1 :              -0.00011871342065
                   +0 :              -0.00025184312869
                   +1 :               0.00047398270056
                4p
                   -1 :               0.00001839565927
                   +0 :               0.00002593732414
                   +1 :              -0.00011396701876
                3d
                   -2 :              -0.00003847457293
                   -1 :               0.00001734738182
                   +0 :              -0.00000118614023
                   +1 :               0.00005793234789
                   +2 :              -0.00005844037538
             12 vec=     5.396580     14.851799     -2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00004203698306
                2p
                   -1 :              -0.00003376366982
                   +0 :              -0.00001828346081
                   +1 :               0.00001765981924
                3s
                   +0 :              -0.00008827734704
                4s
                   +0 :              -0.00000067382473
                3p
                   -1 :              -0.00001808472280
                   +0 :              -0.00005884789511
                   +1 :              -0.00008737313276
                4p
                   -1 :              -0.00000112798328
                   +0 :               0.00000091587391
                   +1 :               0.00003903462246
                3d
                   -2 :               0.00002355266460
                   -1 :              -0.00003355940090
                   +0 :              -0.00002615493262
                   +1 :              -0.00001410653693
                   +2 :               0.00001871932582
             13 vec=    -2.383582    -16.591354     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00000205454967
                2p
                   -1 :               0.00000460244672
                   +0 :              -0.00000955043021
                   +1 :               0.00001093459574
                3s
                   +0 :              -0.00000799519766
                4s
                   +0 :              -0.00000791572064
                3p
                   -1 :              -0.00003493578764
                   +0 :              -0.00000197200578
                   +1 :              -0.00004202854708
                4p
                   -1 :               0.00001455996141
                   +0 :               0.00001116609593
                   +1 :              -0.00000149155471
                3d
                   -2 :               0.00002509702832
                   -1 :              -0.00000571876570
                   +0 :              -0.00000753496541
                   +1 :               0.00000188884278
                   +2 :              -0.00000517651579
             14 vec=    13.176743     10.359920     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00002618033020
                2p
                   -1 :               0.00001408145823
                   +0 :              -0.00001143923198
                   +1 :              -0.00001159627542
                3s
                   +0 :              -0.00009455466358
                4s
                   +0 :               0.00001812076079
                3p
                   -1 :              -0.00008084430001
                   +0 :               0.00003843524413
                   +1 :               0.00006305418643
                4p
                   -1 :               0.00002774863939
                   +0 :              -0.00001445944190
                   +1 :              -0.00002007238081
                3d
                   -2 :              -0.00001899186369
                   -1 :               0.00002279410147
                   +0 :               0.00000459105099
                   +1 :               0.00001973433766
                   +2 :               0.00002641269304
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site Al( 12)  npairs=  13
              1 vec=    -2.383582      1.376162     -9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00048336040570
                2p
                   -1 :              -0.00025198729585
                   +0 :              -0.00022458616142
                   +1 :               0.00023190249935
                3s
                   +0 :               0.00006405149758
                4s
                   +0 :               0.00002463894093
                3p
                   -1 :               0.00115994868496
                   +0 :               0.00186933292557
                   +1 :              -0.00084072361502
                4p
                   -1 :              -0.00020846062429
                   +0 :              -0.00061404524868
                   +1 :               0.00001888416601
                3d
                   -2 :               0.00011600424776
                   -1 :               0.00040649855876
                   +0 :              -0.00014302431424
                   +1 :              -0.00048368143777
                   +2 :               0.00019371206449
              2 vec=     5.396580     -3.115717     -9.762967   |vec|=   11.582154
                2s
                   +0 :               0.00075270867866
                2p
                   -1 :               0.00005704039597
                   +0 :              -0.00017708643807
                   +1 :               0.00011878575350
                3s
                   +0 :              -0.00271123211117
                4s
                   +0 :               0.00113936506121
                3p
                   -1 :              -0.00031710629104
                   +0 :               0.00144919247011
                   +1 :              -0.00068427636208
                4p
                   -1 :               0.00014376100998
                   +0 :              -0.00050185057031
                   +1 :               0.00023072576574
                3d
                   -2 :              -0.00018417342605
                   -1 :               0.00000874576595
                   +0 :              -0.00030730101936
                   +1 :               0.00009389476678
                   +2 :               0.00015820713491
              3 vec=    -2.383582     -7.607596     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00003786215399
                2p
                   -1 :               0.00014878077008
                   +0 :               0.00005297202055
                   +1 :               0.00018652937222
                3s
                   +0 :              -0.00160537172054
                4s
                   +0 :              -0.00008658198923
                3p
                   -1 :               0.00097040815374
                   +0 :               0.00026455122192
                   +1 :              -0.00062926763818
                4p
                   -1 :               0.00019595544653
                   +0 :               0.00006335164055
                   +1 :               0.00032159772366
                3d
                   -2 :              -0.00004251051215
                   -1 :              -0.00013471190301
                   +0 :               0.00024306938637
                   +1 :              -0.00010808194248
                   +2 :               0.00034792295744
              4 vec=     5.396580      5.868041     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00035586996587
                2p
                   -1 :              -0.00021641701381
                   +0 :               0.00013684592277
                   +1 :              -0.00031553667214
                3s
                   +0 :              -0.00175472081440
                4s
                   +0 :              -0.00016054516461
                3p
                   -1 :              -0.00012852483481
                   +0 :               0.00032748098037
                   +1 :              -0.00139802956999
                4p
                   -1 :              -0.00022631917545
                   +0 :              -0.00006962510033
                   +1 :              -0.00014921466213
                3d
                   -2 :              -0.00047742382383
                   -1 :               0.00003119105086
                   +0 :               0.00036843039162
                   +1 :               0.00018546558017
                   +2 :              -0.00048894646956
              5 vec=   -10.163745     -3.115717     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00013871344467
                2p
                   -1 :              -0.00007674027108
                   +0 :              -0.00001690452513
                   +1 :              -0.00012277649748
                3s
                   +0 :              -0.00055252789888
                4s
                   +0 :               0.00020479998400
                3p
                   -1 :               0.00034783896668
                   +0 :               0.00005317942337
                   +1 :               0.00061683565663
                4p
                   -1 :              -0.00008580153460
                   +0 :               0.00000253789556
                   +1 :              -0.00020854593602
                3d
                   -2 :              -0.00002939074816
                   -1 :              -0.00008743001874
                   +0 :               0.00004875860770
                   +1 :              -0.00005120399516
                   +2 :               0.00004946321381
              6 vec=    -2.383582     10.359920     -9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00001926001642
                2p
                   -1 :              -0.00003511691328
                   +0 :              -0.00001643167362
                   +1 :               0.00018828534279
                3s
                   +0 :               0.00013971222774
                4s
                   +0 :              -0.00007583173120
                3p
                   -1 :               0.00023538342896
                   +0 :               0.00005554199825
                   +1 :              -0.00087617563414
                4p
                   -1 :              -0.00009074341903
                   +0 :              -0.00001453393587
                   +1 :               0.00015680246516
                3d
                   -2 :              -0.00018016766731
                   -1 :               0.00000696420674
                   +0 :               0.00001133075819
                   +1 :               0.00013318866622
                   +2 :              -0.00001631479198
              7 vec=    -2.383582      1.376162     14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00006050501590
                2p
                   -1 :               0.00009221837292
                   +0 :              -0.00000672017295
                   +1 :               0.00004246379727
                3s
                   +0 :               0.00055989168127
                4s
                   +0 :              -0.00013076580359
                3p
                   -1 :              -0.00057328483961
                   +0 :               0.00022517886594
                   +1 :              -0.00009225328289
                4p
                   -1 :               0.00012744739906
                   +0 :              -0.00006909104887
                   +1 :               0.00005864136461
                3d
                   -2 :              -0.00002614176810
                   -1 :              -0.00006893973289
                   +0 :              -0.00000965464435
                   +1 :              -0.00000693265375
                   +2 :               0.00000754436470
              8 vec=   -10.163745      5.868041     -9.762967   |vec|=   15.266013
                2s
                   +0 :              -0.00018983443514
                2p
                   -1 :              -0.00008175469963
                   +0 :               0.00016747532489
                   +1 :               0.00010660390687
                3s
                   +0 :               0.00054473968503
                4s
                   +0 :              -0.00022471633596
                3p
                   -1 :               0.00045635764255
                   +0 :              -0.00073242133721
                   +1 :              -0.00042052069114
                4p
                   -1 :              -0.00017277076912
                   +0 :               0.00022314964829
                   +1 :               0.00010329543978
                3d
                   -2 :              -0.00007764176950
                   -1 :              -0.00011427200227
                   +0 :               0.00003666631127
                   +1 :               0.00022502751566
                   +2 :               0.00005769201564
              9 vec=     5.396580     -3.115717     14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00008444400741
                2p
                   -1 :               0.00005909548642
                   +0 :              -0.00001584168984
                   +1 :              -0.00005547482196
                3s
                   +0 :               0.00053298105614
                4s
                   +0 :              -0.00018683505204
                3p
                   -1 :              -0.00024710889053
                   +0 :               0.00012508187737
                   +1 :               0.00020531411706
                4p
                   -1 :               0.00007482725513
                   +0 :              -0.00005042009465
                   +1 :              -0.00004947439204
                3d
                   -2 :              -0.00002280355925
                   -1 :              -0.00001201587009
                   +0 :               0.00005114024889
                   +1 :               0.00003786804432
                   +2 :               0.00000439570531
             10 vec=     5.396580    -12.099475     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00008646293530
                2p
                   -1 :              -0.00005385141299
                   +0 :              -0.00000097465865
                   +1 :               0.00003750745417
                3s
                   +0 :              -0.00035907520215
                4s
                   +0 :               0.00013672302194
                3p
                   -1 :               0.00026602501100
                   +0 :              -0.00001767652080
                   +1 :              -0.00023181686112
                4p
                   -1 :              -0.00008475748112
                   +0 :               0.00000690368865
                   +1 :               0.00008128443122
                3d
                   -2 :              -0.00001912189379
                   -1 :               0.00003192080664
                   +0 :               0.00002523861425
                   +1 :               0.00001963238353
                   +2 :               0.00000851638451
             11 vec=    13.176743      1.376162     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00005870711913
                2p
                   -1 :              -0.00001073392849
                   +0 :              -0.00000023905076
                   +1 :               0.00003692608736
                3s
                   +0 :              -0.00022014913787
                4s
                   +0 :               0.00006401293106
                3p
                   -1 :               0.00005711442014
                   +0 :               0.00000587703719
                   +1 :              -0.00011944677700
                4p
                   -1 :              -0.00002648151831
                   +0 :               0.00001306818949
                   +1 :               0.00004659613429
                3d
                   -2 :              -0.00002216056418
                   -1 :               0.00002527464301
                   +0 :              -0.00001099795973
                   +1 :               0.00002742807805
                   +2 :               0.00000040585561
             12 vec=    -2.383582     -7.607596     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00000759160412
                2p
                   -1 :              -0.00001465341278
                   +0 :               0.00000094272307
                   +1 :               0.00002924853015
                3s
                   +0 :               0.00006329763889
                4s
                   +0 :              -0.00003798122098
                3p
                   -1 :               0.00009099626551
                   +0 :              -0.00008582939281
                   +1 :              -0.00047027705793
                4p
                   -1 :              -0.00003596639073
                   +0 :              -0.00001206052001
                   +1 :               0.00006517039551
                3d
                   -2 :               0.00005386497264
                   -1 :               0.00005483960406
                   +0 :              -0.00008573318773
                   +1 :              -0.00011167099736
                   +2 :               0.00007929897297
             13 vec=     5.396580      5.868041     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00004915331454
                2p
                   -1 :              -0.00002311317849
                   +0 :              -0.00002238765212
                   +1 :              -0.00004486149535
                3s
                   +0 :               0.00052598217521
                4s
                   +0 :              -0.00020675438487
                3p
                   -1 :               0.00037017799546
                   +0 :               0.00029248431944
                   +1 :               0.00020696150842
                4p
                   -1 :              -0.00008409780332
                   +0 :              -0.00012080868430
                   +1 :              -0.00006336606356
                3d
                   -2 :               0.00004981163195
                   -1 :               0.00010255754697
                   +0 :               0.00003000872219
                   +1 :              -0.00001022100271
                   +2 :              -0.00003595441410
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 13)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00034046239039
                2s
                   +0 :               0.00336793341713
                3s
                   +0 :              -0.00051463054075
                2p
                   -1 :               0.00069790630535
                   +0 :               0.00236357156747
                   +1 :              -0.00316157635643
                3p
                   -1 :              -0.00038993732022
                   +0 :              -0.00047826703017
                   +1 :               0.00052287827515
                3d
                   -2 :              -0.00001053088497
                   -1 :               0.00000941364597
                   +0 :              -0.00000470393407
                   +1 :              -0.00014188269378
                   +2 :               0.00005863350895
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00048286829960
                2s
                   +0 :               0.00497872996796
                3s
                   +0 :              -0.00068175521082
                2p
                   -1 :              -0.00389380492457
                   +0 :               0.00518932292740
                   +1 :               0.00056364193849
                3p
                   -1 :               0.00115296762290
                   +0 :              -0.00103246483369
                   +1 :              -0.00063819590030
                3d
                   -2 :               0.00000886566935
                   -1 :              -0.00014073714667
                   +0 :               0.00009630247916
                   +1 :              -0.00001310348376
                   +2 :              -0.00003743549686
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00032314081075
                2s
                   +0 :               0.00283330233677
                3s
                   +0 :              -0.00066972230577
                2p
                   -1 :              -0.00075790618242
                   +0 :               0.00279384763374
                   +1 :               0.00173584672528
                3p
                   -1 :               0.00181150469255
                   +0 :              -0.00074995210639
                   +1 :              -0.00055074478414
                3d
                   -2 :               0.00038336892841
                   -1 :               0.00044595957775
                   +0 :               0.00007014250185
                   +1 :              -0.00015975747220
                   +2 :              -0.00015025375258
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00002652727121
                2s
                   +0 :              -0.00000869066195
                3s
                   +0 :               0.00009239280477
                2p
                   -1 :               0.00023670128219
                   +0 :              -0.00028444476457
                   +1 :              -0.00028367589237
                3p
                   -1 :              -0.00037796408605
                   +0 :               0.00019873473233
                   +1 :               0.00017119183823
                3d
                   -2 :               0.00001412188857
                   -1 :              -0.00001037904679
                   +0 :               0.00003711627484
                   +1 :               0.00001592472524
                   +2 :              -0.00003791230564
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00003278640915
                2s
                   +0 :              -0.00006691049088
                3s
                   +0 :               0.00008070425025
                2p
                   -1 :              -0.00006113463534
                   +0 :               0.00029656782037
                   +1 :              -0.00025300078664
                3p
                   -1 :               0.00005080160638
                   +0 :              -0.00029153868962
                   +1 :               0.00014617405191
                3d
                   -2 :               0.00000066066701
                   -1 :              -0.00003597767320
                   +0 :               0.00003452287496
                   +1 :               0.00000377984713
                   +2 :              -0.00000333752060
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000801008223
                2s
                   +0 :               0.00029065870188
                3s
                   +0 :               0.00001916826728
                2p
                   -1 :              -0.00034128680286
                   +0 :              -0.00042820807470
                   +1 :               0.00041826848108
                3p
                   -1 :               0.00016103562705
                   +0 :               0.00013634211468
                   +1 :              -0.00024171227001
                3d
                   -2 :               0.00000825675946
                   -1 :               0.00002461189753
                   +0 :              -0.00000023029010
                   +1 :              -0.00003968389128
                   +2 :              -0.00003045709814
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000364704746
                2s
                   +0 :               0.00006838300251
                3s
                   +0 :               0.00002958559925
                2p
                   -1 :              -0.00005011118704
                   +0 :              -0.00018518061817
                   +1 :               0.00017970169819
                3p
                   -1 :               0.00015013118015
                   +0 :               0.00016736662931
                   +1 :              -0.00021763534233
                3d
                   -2 :              -0.00001229348458
                   -1 :               0.00001367470023
                   +0 :              -0.00001312321933
                   +1 :              -0.00000460037627
                   +2 :              -0.00000639960918
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000074276368
                2s
                   +0 :               0.00007356108561
                3s
                   +0 :               0.00002035196245
                2p
                   -1 :               0.00004378693072
                   +0 :              -0.00002624012241
                   +1 :              -0.00001463596120
                3p
                   -1 :               0.00005692999659
                   +0 :               0.00003028934638
                   +1 :               0.00001202416357
                3d
                   -2 :               0.00000663490153
                   -1 :              -0.00000047661510
                   +0 :              -0.00000586592904
                   +1 :               0.00000541235630
                   +2 :               0.00000024000825
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001417139147
                2s
                   +0 :              -0.00009067185719
                3s
                   +0 :              -0.00001553752038
                2p
                   -1 :               0.00008006108460
                   +0 :               0.00006755021046
                   +1 :               0.00008926381416
                3p
                   -1 :              -0.00000752406142
                   +0 :               0.00002941173527
                   +1 :              -0.00002131961774
                3d
                   -2 :              -0.00000932152186
                   -1 :              -0.00000350550704
                   +0 :              -0.00000072717291
                   +1 :              -0.00000424122681
                   +2 :               0.00000046413591
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001386200185
                2s
                   +0 :              -0.00004996695441
                3s
                   +0 :               0.00007147589117
                2p
                   -1 :              -0.00005971505098
                   +0 :              -0.00006301250069
                   +1 :               0.00000873464114
                3p
                   -1 :               0.00000045042766
                   +0 :               0.00006493511621
                   +1 :              -0.00005065895184
                3d
                   -2 :               0.00000317920023
                   -1 :              -0.00000249205459
                   +0 :               0.00000620881308
                   +1 :              -0.00000314245014
                   +2 :              -0.00000000122090
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000461036522
                2s
                   +0 :               0.00003116349832
                3s
                   +0 :               0.00001256035085
                2p
                   -1 :              -0.00001112207345
                   +0 :               0.00002503086759
                   +1 :               0.00010653516394
                3p
                   -1 :              -0.00000017948619
                   +0 :              -0.00000095099768
                   +1 :              -0.00002763943919
                3d
                   -2 :              -0.00000211318027
                   -1 :              -0.00000166238678
                   +0 :               0.00000177187455
                   +1 :              -0.00000085289465
                   +2 :               0.00000024771246
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00001459526242
                2s
                   +0 :              -0.00010728845128
                3s
                   +0 :               0.00015456006707
                2p
                   -1 :               0.00021025609399
                   +0 :              -0.00015752967963
                   +1 :              -0.00014157102109
                3p
                   -1 :              -0.00017494983503
                   +0 :               0.00015995235787
                   +1 :               0.00015195833091
                3d
                   -2 :              -0.00002436926060
                   -1 :              -0.00002771485262
                   +0 :               0.00001968547046
                   +1 :               0.00004812678550
                   +2 :               0.00001433998200
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000557188880
                2s
                   +0 :              -0.00001452892489
                3s
                   +0 :              -0.00003939747104
                2p
                   -1 :               0.00003311520755
                   +0 :               0.00014105892386
                   +1 :              -0.00010801469755
                3p
                   -1 :              -0.00008834772581
                   +0 :               0.00001778537488
                   +1 :               0.00007879775382
                3d
                   -2 :               0.00000347228391
                   -1 :               0.00000939755447
                   +0 :               0.00000255577193
                   +1 :               0.00000427615232
                   +2 :               0.00000130175514
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003496763724
                2s
                   +0 :              -0.00024533407883
                3s
                   +0 :               0.00009291937031
                2p
                   -1 :              -0.00007337734162
                   +0 :               0.00017574656524
                   +1 :              -0.00002376053640
                3p
                   -1 :               0.00004192084857
                   +0 :              -0.00007151407659
                   +1 :               0.00007056590655
                3d
                   -2 :              -0.00000694543121
                   -1 :              -0.00000128192976
                   +0 :               0.00000823984831
                   +1 :              -0.00000744450814
                   +2 :              -0.00000327004915
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001813483268
                2s
                   +0 :              -0.00014805236979
                3s
                   +0 :               0.00001918505626
                2p
                   -1 :               0.00009116781706
                   +0 :               0.00008677000365
                   +1 :               0.00003610246914
                3p
                   -1 :              -0.00002213665177
                   +0 :               0.00005546493318
                   +1 :              -0.00002265112041
                3d
                   -2 :              -0.00000593751425
                   -1 :              -0.00000562739222
                   +0 :              -0.00000506232729
                   +1 :              -0.00000102488805
                   +2 :              -0.00000038514378
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 14)  npairs=  14
              1 vec=     0.419351     -0.000150      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00037367407897
                2s
                   +0 :               0.00100950884860
                3s
                   +0 :              -0.00098659275168
                2p
                   -1 :               0.00285664691980
                   +0 :               0.00345935098213
                   +1 :               0.00066107811557
                3p
                   -1 :              -0.00168618244019
                   +0 :              -0.00269325373491
                   +1 :              -0.00036116312785
                3d
                   -2 :               0.00002655176552
                   -1 :               0.00000602630284
                   +0 :              -0.00034717456139
                   +1 :              -0.00004250833672
                   +2 :              -0.00003688976856
              2 vec=    -7.360812      4.491729      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00016469354570
                2s
                   +0 :              -0.00051657684476
                3s
                   +0 :               0.00061294479600
                2p
                   -1 :              -0.00010603382730
                   +0 :              -0.00105537604943
                   +1 :              -0.00146441374867
                3p
                   -1 :               0.00031716463477
                   +0 :               0.00069978780476
                   +1 :               0.00090763631191
                3d
                   -2 :               0.00004365012488
                   -1 :              -0.00002285917117
                   +0 :               0.00001424578933
                   +1 :               0.00002157967204
                   +2 :              -0.00000020087638
              3 vec=    -7.360812     -4.492029      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00013355700016
                2s
                   +0 :              -0.00188975101355
                3s
                   +0 :               0.00022049954602
                2p
                   -1 :               0.00017868597710
                   +0 :              -0.00093637316548
                   +1 :              -0.00037085628963
                3p
                   -1 :              -0.00002003006448
                   +0 :               0.00009256590324
                   +1 :              -0.00027655224448
                3d
                   -2 :               0.00004422776855
                   -1 :               0.00005941036837
                   +0 :              -0.00020415608626
                   +1 :              -0.00001039587826
                   +2 :               0.00006512880387
              4 vec=     0.419351      8.983608      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00001402500221
                2s
                   +0 :               0.00032826103430
                3s
                   +0 :              -0.00010198666366
                2p
                   -1 :               0.00065196236630
                   +0 :               0.00005842842590
                   +1 :               0.00009361183554
                3p
                   -1 :              -0.00011667844485
                   +0 :              -0.00001594284702
                   +1 :              -0.00010080190003
                3d
                   -2 :              -0.00001058717920
                   -1 :              -0.00002088617448
                   +0 :              -0.00000476101899
                   +1 :              -0.00002267913175
                   +2 :               0.00000300331676
              5 vec=     0.419351     -8.983908      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00005548020858
                2s
                   +0 :               0.00097692816958
                3s
                   +0 :              -0.00008776326011
                2p
                   -1 :              -0.00052099406150
                   +0 :              -0.00019217934006
                   +1 :              -0.00009361169220
                3p
                   -1 :              -0.00002546580638
                   +0 :              -0.00001008818684
                   +1 :               0.00007306162313
                3d
                   -2 :              -0.00002052989509
                   -1 :               0.00001016087340
                   +0 :              -0.00002060246902
                   +1 :               0.00001289144986
                   +2 :              -0.00002932193238
              6 vec=     8.199513      4.491729      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00017376785284
                2s
                   +0 :               0.00139411676979
                3s
                   +0 :              -0.00052472641755
                2p
                   -1 :               0.00063133465297
                   +0 :               0.00012490579436
                   +1 :               0.00134047187052
                3p
                   -1 :              -0.00030443052207
                   +0 :              -0.00015254113872
                   +1 :              -0.00066024348249
                3d
                   -2 :              -0.00001826338254
                   -1 :              -0.00002730425283
                   +0 :              -0.00000529619125
                   +1 :               0.00000122186940
                   +2 :              -0.00000840703362
              7 vec=     8.199513     -4.492029      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00003209470978
                2s
                   +0 :               0.00040557186946
                3s
                   +0 :              -0.00006115129038
                2p
                   -1 :              -0.00033746048253
                   +0 :              -0.00011701942186
                   +1 :               0.00061018018195
                3p
                   -1 :               0.00009147144682
                   +0 :               0.00017622188738
                   +1 :              -0.00017703295617
                3d
                   -2 :              -0.00002557594548
                   -1 :               0.00001406130054
                   +0 :               0.00004979573880
                   +1 :               0.00001725926137
                   +2 :              -0.00003390983637
              8 vec=     0.419351     -0.000150    -16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000783569171
                2s
                   +0 :               0.00006763912049
                3s
                   +0 :              -0.00005344097368
                2p
                   -1 :              -0.00008965154296
                   +0 :              -0.00000613054295
                   +1 :              -0.00004207078183
                3p
                   -1 :               0.00010405701559
                   +0 :               0.00005843089353
                   +1 :               0.00001494342815
                3d
                   -2 :               0.00000732149321
                   -1 :              -0.00000454269561
                   +0 :              -0.00001320935359
                   +1 :               0.00000238607554
                   +2 :               0.00000385798769
              9 vec=   -15.140975     -0.000150      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00001603514819
                2s
                   +0 :              -0.00014609014901
                3s
                   +0 :               0.00012811475130
                2p
                   -1 :               0.00016497641625
                   +0 :              -0.00010841364403
                   +1 :               0.00018718944003
                3p
                   -1 :              -0.00012268032393
                   +0 :               0.00010041854025
                   +1 :              -0.00016146590039
                3d
                   -2 :               0.00001886182333
                   -1 :              -0.00001747531163
                   +0 :               0.00001178054148
                   +1 :              -0.00003086500408
                   +2 :               0.00001049760830
             10 vec=    -7.360812     13.475487      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00002061876605
                2s
                   +0 :               0.00017464064285
                3s
                   +0 :              -0.00002827249303
                2p
                   -1 :               0.00005653909826
                   +0 :               0.00005950335027
                   +1 :              -0.00003837087999
                3p
                   -1 :              -0.00002281923614
                   +0 :              -0.00000957918118
                   +1 :              -0.00000557286314
                3d
                   -2 :              -0.00000330741232
                   -1 :               0.00000347023079
                   +0 :              -0.00000023084427
                   +1 :              -0.00000654960631
                   +2 :              -0.00000355161360
             11 vec=    -7.360812    -13.475787      8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00000900915600
                2s
                   +0 :               0.00010033040515
                3s
                   +0 :              -0.00000418714268
                2p
                   -1 :              -0.00004104868336
                   +0 :               0.00002845350924
                   +1 :              -0.00007127507975
                3p
                   -1 :              -0.00002708269919
                   +0 :               0.00002822695386
                   +1 :               0.00003655648771
                3d
                   -2 :               0.00000055570398
                   -1 :              -0.00000538358104
                   +0 :               0.00000204693037
                   +1 :               0.00000451221005
                   +2 :              -0.00000671408242
             12 vec=     8.199513     13.475487      8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000304191258
                2s
                   +0 :              -0.00001493785573
                3s
                   +0 :               0.00001948442610
                2p
                   -1 :               0.00000387496865
                   +0 :               0.00000865649177
                   +1 :               0.00006095018817
                3p
                   -1 :               0.00002135794829
                   +0 :               0.00001166217354
                   +1 :              -0.00004178115175
                3d
                   -2 :              -0.00000392228224
                   -1 :              -0.00000171625411
                   +0 :               0.00000153266551
                   +1 :              -0.00000015215371
                   +2 :              -0.00000215435940
             13 vec=     8.199513    -13.475787      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000301209450
                2s
                   +0 :               0.00006662531680
                3s
                   +0 :               0.00002082740644
                2p
                   -1 :               0.00000408839999
                   +0 :               0.00004151121557
                   +1 :              -0.00001165093238
                3p
                   -1 :              -0.00006353870435
                   +0 :              -0.00000552219466
                   +1 :               0.00004256678924
                3d
                   -2 :              -0.00000643761462
                   -1 :              -0.00000412921580
                   +0 :              -0.00000192207383
                   +1 :               0.00000208184941
                   +2 :              -0.00000355382695
             14 vec=    15.979676     -0.000150      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000181687415
                2s
                   +0 :               0.00001989296214
                3s
                   +0 :              -0.00000218684861
                2p
                   -1 :               0.00001363357425
                   +0 :              -0.00002425433075
                   +1 :               0.00003712021104
                3p
                   -1 :              -0.00001081950835
                   +0 :               0.00001918542745
                   +1 :              -0.00000600044190
                3d
                   -2 :               0.00000100698399
                   -1 :              -0.00000152003896
                   +0 :              -0.00000250669679
                   +1 :               0.00000063497266
                   +2 :              -0.00000143349093
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 15)  npairs=  15
              1 vec=    -4.976970     -0.363094      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00046669730318
                2s
                   +0 :               0.00360830709827
                3s
                   +0 :              -0.00071330780602
                2p
                   -1 :               0.00094485474549
                   +0 :               0.00295333267059
                   +1 :              -0.00054791588710
                3p
                   -1 :               0.00036424191906
                   +0 :              -0.00099645731485
                   +1 :              -0.00071410210615
                3d
                   -2 :              -0.00011592613201
                   -1 :               0.00023482961574
                   +0 :               0.00006920405588
                   +1 :              -0.00015502528186
                   +2 :               0.00000975917436
              2 vec=     2.803193      4.128785      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00059348575855
                2s
                   +0 :               0.00543167104188
                3s
                   +0 :              -0.00160460798309
                2p
                   -1 :               0.00071099834134
                   +0 :               0.00495130104541
                   +1 :               0.00292869317490
                3p
                   -1 :              -0.00071972119618
                   +0 :              -0.00162090630735
                   +1 :              -0.00000929467059
                3d
                   -2 :               0.00009441587870
                   -1 :              -0.00034312021182
                   +0 :               0.00005453939413
                   +1 :               0.00013681229030
                   +2 :               0.00033101437214
              3 vec=     2.803193     -4.854973      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00049921367889
                2s
                   +0 :               0.00405323399472
                3s
                   +0 :              -0.00059208204438
                2p
                   -1 :              -0.00285127472806
                   +0 :               0.00171986672923
                   +1 :              -0.00057818646725
                3p
                   -1 :               0.00058802828737
                   +0 :               0.00070077520603
                   +1 :               0.00049988977858
                3d
                   -2 :               0.00006872277866
                   -1 :              -0.00012717666003
                   +0 :               0.00011099997554
                   +1 :              -0.00014980149928
                   +2 :               0.00001774779529
              4 vec=    -4.976970      8.620664      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00005511397268
                2s
                   +0 :               0.00070201101688
                3s
                   +0 :              -0.00025203885173
                2p
                   -1 :               0.00064972243230
                   +0 :               0.00000649970830
                   +1 :               0.00030923866176
                3p
                   -1 :              -0.00031029399152
                   +0 :              -0.00015620652027
                   +1 :              -0.00006431258020
                3d
                   -2 :               0.00000455281976
                   -1 :              -0.00006536773464
                   +0 :              -0.00001192833689
                   +1 :               0.00001837544836
                   +2 :               0.00001676320960
              5 vec=    -4.976970     -9.346852      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00003305164584
                2s
                   +0 :               0.00045073760772
                3s
                   +0 :              -0.00005337550356
                2p
                   -1 :              -0.00028918102737
                   +0 :               0.00016058480825
                   +1 :              -0.00024278892776
                3p
                   -1 :               0.00006898821223
                   +0 :              -0.00016058303755
                   +1 :              -0.00006544916110
                3d
                   -2 :               0.00002259860139
                   -1 :               0.00000760793604
                   +0 :              -0.00001911432792
                   +1 :              -0.00001080987520
                   +2 :              -0.00000760435090
              6 vec=    10.583355     -0.363094      8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00004350783432
                2s
                   +0 :              -0.00017539227000
                3s
                   +0 :               0.00012277706188
                2p
                   -1 :               0.00000695607625
                   +0 :              -0.00029247970780
                   +1 :              -0.00013088701164
                3p
                   -1 :              -0.00003037398472
                   +0 :               0.00019655320978
                   +1 :               0.00013351642278
                3d
                   -2 :              -0.00000584909316
                   -1 :              -0.00000597430857
                   +0 :              -0.00000009913652
                   +1 :               0.00001245784393
                   +2 :               0.00001972038649
              7 vec=   -12.757133      4.128785      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00001766179650
                2s
                   +0 :              -0.00005855493048
                3s
                   +0 :               0.00009028035886
                2p
                   -1 :              -0.00016663848079
                   +0 :               0.00005343531214
                   +1 :               0.00015730180142
                3p
                   -1 :               0.00012408731800
                   +0 :              -0.00000809907092
                   +1 :              -0.00022013542616
                3d
                   -2 :               0.00000517140359
                   -1 :              -0.00000367105800
                   +0 :               0.00000022800072
                   +1 :              -0.00001543559822
                   +2 :               0.00000518408705
              8 vec=     2.803193     13.112543      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00002450629931
                2s
                   +0 :              -0.00020496752516
                3s
                   +0 :               0.00011723996253
                2p
                   -1 :              -0.00033429950232
                   +0 :              -0.00009316593678
                   +1 :              -0.00003515784601
                3p
                   -1 :               0.00020650977231
                   +0 :               0.00005968713912
                   +1 :               0.00002255675772
                3d
                   -2 :              -0.00000542324355
                   -1 :               0.00000560552782
                   +0 :               0.00001185270960
                   +1 :              -0.00000681909157
                   +2 :              -0.00000163948464
              9 vec=   -12.757133     -4.854973      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00000298611175
                2s
                   +0 :               0.00001981395070
                3s
                   +0 :              -0.00004343176853
                2p
                   -1 :              -0.00009014915356
                   +0 :               0.00002100622971
                   +1 :              -0.00007093382370
                3p
                   -1 :               0.00006647416623
                   +0 :               0.00007080389520
                   +1 :               0.00006276845299
                3d
                   -2 :               0.00000421007178
                   -1 :              -0.00000994474529
                   +0 :               0.00000615833980
                   +1 :              -0.00001366714347
                   +2 :              -0.00000515149735
             10 vec=    10.583355      8.620664      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00000929481200
                2s
                   +0 :               0.00000697856762
                3s
                   +0 :               0.00001217028886
                2p
                   -1 :               0.00022276298837
                   +0 :               0.00007998135694
                   +1 :               0.00001860609963
                3p
                   -1 :              -0.00012267690884
                   +0 :              -0.00004727804559
                   +1 :              -0.00002490001629
                3d
                   -2 :              -0.00000196603973
                   -1 :              -0.00001092669670
                   +0 :              -0.00000034712619
                   +1 :              -0.00000505290800
                   +2 :              -0.00000025122819
             11 vec=     2.803193    -13.838731      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00001062470519
                2s
                   +0 :               0.00011015002294
                3s
                   +0 :              -0.00000064801980
                2p
                   -1 :              -0.00014524292443
                   +0 :              -0.00008872884785
                   +1 :               0.00001338242942
                3p
                   -1 :               0.00003311256507
                   +0 :               0.00006285830929
                   +1 :               0.00001935234348
                3d
                   -2 :              -0.00000088053756
                   -1 :              -0.00000670243186
                   +0 :              -0.00000009694818
                   +1 :              -0.00000041602170
                   +2 :               0.00000284760688
             12 vec=    10.583355     -9.346852      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000718108480
                2s
                   +0 :               0.00006939472195
                3s
                   +0 :               0.00000322158589
                2p
                   -1 :              -0.00007615825404
                   +0 :               0.00001049133934
                   +1 :               0.00010659517514
                3p
                   -1 :               0.00002432925874
                   +0 :              -0.00000913313344
                   +1 :              -0.00006830549048
                3d
                   -2 :               0.00000165136027
                   -1 :               0.00000138180189
                   +0 :               0.00000224652395
                   +1 :               0.00000554386485
                   +2 :              -0.00000193430492
             13 vec=    -4.976970     -0.363094    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00003341484661
                2s
                   +0 :              -0.00022429747783
                3s
                   +0 :               0.00008518168559
                2p
                   -1 :               0.00008749049772
                   +0 :               0.00030288668436
                   +1 :               0.00019638534196
                3p
                   -1 :              -0.00000262013531
                   +0 :              -0.00014763558042
                   +1 :              -0.00013402146274
                3d
                   -2 :              -0.00000548489041
                   -1 :              -0.00000311087740
                   +0 :               0.00000277557821
                   +1 :               0.00000294470923
                   +2 :              -0.00000078294484
             14 vec=     2.803193      4.128785    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00002126130733
                2s
                   +0 :              -0.00018047694553
                3s
                   +0 :               0.00004585346279
                2p
                   -1 :               0.00000123781817
                   +0 :               0.00020820195712
                   +1 :               0.00012203071656
                3p
                   -1 :               0.00001880071377
                   +0 :              -0.00008244997512
                   +1 :              -0.00004219838478
                3d
                   -2 :               0.00000616548463
                   -1 :              -0.00000588285655
                   +0 :               0.00000529445914
                   +1 :              -0.00000624592785
                   +2 :               0.00000140807760
             15 vec=     2.803193     -4.854973    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000867061646
                2s
                   +0 :              -0.00009914975700
                3s
                   +0 :              -0.00000404734554
                2p
                   -1 :              -0.00003109080831
                   +0 :               0.00015918800918
                   +1 :              -0.00004692877669
                3p
                   -1 :               0.00000349389803
                   +0 :              -0.00000162784105
                   +1 :              -0.00003922288532
                3d
                   -2 :              -0.00000551383114
                   -1 :               0.00000261665157
                   +0 :              -0.00000217359696
                   +1 :               0.00001074247723
                   +2 :              -0.00000303070044
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 16)  npairs=  14
              1 vec=     0.419351      2.752474     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00269559740430
                2s
                   +0 :              -0.08187054589168
                3s
                   +0 :               0.00475938177092
                2p
                   -1 :              -0.03640036313759
                   +0 :               0.04394476996882
                   +1 :              -0.00735152088956
                3p
                   -1 :               0.00457637747773
                   +0 :              -0.00588337641994
                   +1 :               0.00037710439108
                3d
                   -2 :              -0.00084304482618
                   -1 :               0.00165209164445
                   +0 :              -0.00101678830652
                   +1 :               0.00030710547461
                   +2 :               0.00201964842696
              2 vec=     0.419351     -6.231284     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00040521193650
                2s
                   +0 :              -0.00304751216606
                3s
                   +0 :               0.00143797508691
                2p
                   -1 :               0.00321878013529
                   +0 :               0.00184797340648
                   +1 :               0.00195285276553
                3p
                   -1 :              -0.00150908713951
                   +0 :              -0.00074350381582
                   +1 :              -0.00178826999740
                3d
                   -2 :              -0.00004823934825
                   -1 :               0.00010637925270
                   +0 :              -0.00038998845834
                   +1 :               0.00007608042289
                   +2 :              -0.00022096120516
              3 vec=    -7.360812     -1.739405     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00024984238942
                2s
                   +0 :              -0.00110825569393
                3s
                   +0 :               0.00086822985045
                2p
                   -1 :              -0.00055062328626
                   +0 :              -0.00360324440793
                   +1 :               0.00328983809547
                3p
                   -1 :              -0.00109060553158
                   +0 :               0.00061563790701
                   +1 :              -0.00173376965019
                3d
                   -2 :               0.00018532851491
                   -1 :               0.00009180068755
                   +0 :               0.00001334943332
                   +1 :               0.00025440598333
                   +2 :              -0.00006790220230
              4 vec=     8.199513     -1.739405     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00026114830535
                2s
                   +0 :              -0.00187113886022
                3s
                   +0 :               0.00060416193918
                2p
                   -1 :               0.00024873054582
                   +0 :               0.00028470059443
                   +1 :              -0.00258300502512
                3p
                   -1 :              -0.00053047826316
                   +0 :              -0.00113508450408
                   +1 :               0.00076826383930
                3d
                   -2 :              -0.00002307201644
                   -1 :               0.00002627570460
                   +0 :               0.00001529310177
                   +1 :              -0.00015899890875
                   +2 :              -0.00006178246163
              5 vec=    -7.360812      7.244353     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00018109829031
                2s
                   +0 :               0.00079705340109
                3s
                   +0 :              -0.00040853481200
                2p
                   -1 :              -0.00134463166678
                   +0 :               0.00096834976245
                   +1 :               0.00002992080942
                3p
                   -1 :               0.00107912646442
                   +0 :              -0.00104702764316
                   +1 :               0.00003536974673
                3d
                   -2 :              -0.00011168330572
                   -1 :              -0.00005516423331
                   +0 :              -0.00007741739930
                   +1 :              -0.00000024141447
                   +2 :              -0.00006388241455
              6 vec=     8.199513      7.244353     -4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00003297756803
                2s
                   +0 :              -0.00015691968057
                3s
                   +0 :               0.00000823634000
                2p
                   -1 :               0.00001983944374
                   +0 :               0.00001573104338
                   +1 :              -0.00067069989439
                3p
                   -1 :               0.00008415550206
                   +0 :              -0.00012217743519
                   +1 :               0.00062681454732
                3d
                   -2 :               0.00002108242491
                   -1 :               0.00002349022397
                   +0 :              -0.00000000224863
                   +1 :               0.00002790101581
                   +2 :              -0.00001088598536
              7 vec=     0.419351     11.736232     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00002282425046
                2s
                   +0 :              -0.00031762553216
                3s
                   +0 :               0.00006278965128
                2p
                   -1 :              -0.00028411463523
                   +0 :               0.00011469175098
                   +1 :               0.00050657552253
                3p
                   -1 :               0.00022673966408
                   +0 :               0.00001681378755
                   +1 :              -0.00022232781993
                3d
                   -2 :               0.00001073780823
                   -1 :              -0.00001721286036
                   +0 :              -0.00002100326717
                   +1 :              -0.00000513409461
                   +2 :              -0.00000530334111
              8 vec=    -7.360812    -10.723163     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00000749757068
                2s
                   +0 :              -0.00022217605213
                3s
                   +0 :              -0.00018351479752
                2p
                   -1 :               0.00026176437093
                   +0 :               0.00004431640757
                   +1 :              -0.00017462318148
                3p
                   -1 :               0.00023768031344
                   +0 :               0.00006646747624
                   +1 :               0.00036425833510
                3d
                   -2 :              -0.00005638442568
                   -1 :              -0.00002161268630
                   +0 :               0.00000999414838
                   +1 :              -0.00001859052411
                   +2 :               0.00002118138472
              9 vec=     8.199513    -10.723163     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00000236605276
                2s
                   +0 :              -0.00010130423534
                3s
                   +0 :              -0.00006838002551
                2p
                   -1 :               0.00005187741292
                   +0 :              -0.00005346991064
                   +1 :               0.00011847763869
                3p
                   -1 :               0.00012304646809
                   +0 :               0.00004686615342
                   +1 :              -0.00020126439706
                3d
                   -2 :               0.00002475713862
                   -1 :              -0.00001766875773
                   +0 :               0.00002953347597
                   +1 :              -0.00000766354359
                   +2 :               0.00000314258614
             10 vec=     0.419351    -15.215042     -4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000876449411
                2s
                   +0 :               0.00000746317076
                3s
                   +0 :              -0.00002017103894
                2p
                   -1 :               0.00000800146218
                   +0 :               0.00002198376161
                   +1 :               0.00008987680100
                3p
                   -1 :               0.00005724884556
                   +0 :              -0.00001427467124
                   +1 :              -0.00009111484791
                3d
                   -2 :               0.00000384393793
                   -1 :               0.00000265842947
                   +0 :              -0.00000337142326
                   +1 :              -0.00000108184188
                   +2 :              -0.00000201380824
             11 vec=   -15.140975      2.752474     -4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00005553381991
                2s
                   +0 :              -0.00032894531742
                3s
                   +0 :               0.00016365356923
                2p
                   -1 :              -0.00001601230759
                   +0 :               0.00015826734634
                   +1 :               0.00010962585065
                3p
                   -1 :              -0.00000608079391
                   +0 :              -0.00016864947930
                   +1 :              -0.00004869280458
                3d
                   -2 :               0.00000518583658
                   -1 :              -0.00000091976962
                   +0 :               0.00001163777661
                   +1 :               0.00002824172676
                   +2 :               0.00000584525014
             12 vec=    15.979676      2.752474     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00001986983192
                2s
                   +0 :               0.00011868050581
                3s
                   +0 :              -0.00007096937353
                2p
                   -1 :              -0.00002792865188
                   +0 :              -0.00006868797801
                   +1 :               0.00003005792219
                3p
                   -1 :               0.00000060908519
                   +0 :               0.00004406287331
                   +1 :              -0.00002640140042
                3d
                   -2 :               0.00000302146468
                   -1 :               0.00000237408836
                   +0 :               0.00000173553766
                   +1 :               0.00000009647588
                   +2 :              -0.00000149035751
             13 vec=   -15.140975     -6.231284     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00000565965650
                2s
                   +0 :              -0.00003172097634
                3s
                   +0 :               0.00001488398176
                2p
                   -1 :              -0.00004602978794
                   +0 :              -0.00007363079384
                   +1 :               0.00002692166388
                3p
                   -1 :               0.00005273834941
                   +0 :               0.00004537254496
                   +1 :               0.00000217426265
                3d
                   -2 :              -0.00000837444305
                   -1 :               0.00000130161810
                   +0 :               0.00000067188740
                   +1 :              -0.00000825610292
                   +2 :              -0.00000428074636
             14 vec=    15.979676     -6.231284     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00000499490796
                2s
                   +0 :              -0.00004833183496
                3s
                   +0 :               0.00000789463190
                2p
                   -1 :               0.00005429537413
                   +0 :              -0.00001892000376
                   +1 :              -0.00000674960131
                3p
                   -1 :              -0.00002197884788
                   +0 :               0.00001163636556
                   +1 :              -0.00000396419922
                3d
                   -2 :               0.00000227652952
                   -1 :               0.00000037477735
                   +0 :              -0.00000046897148
                   +1 :              -0.00000047807321
                   +2 :               0.00000521062500
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 17)  npairs=  14
              1 vec=    -2.593128     -1.739405     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00236894121958
                2s
                   +0 :              -0.06024478981098
                3s
                   +0 :               0.00349957809612
                2p
                   -1 :               0.01136302925962
                   +0 :               0.02368979887238
                   +1 :               0.02311287542672
                3p
                   -1 :               0.00441069940896
                   +0 :               0.00311780944488
                   +1 :              -0.00141723107896
                3d
                   -2 :              -0.00097352804809
                   -1 :              -0.00121429259936
                   +0 :              -0.00150308396899
                   +1 :              -0.00296299559126
                   +2 :              -0.00048031121658
              2 vec=     5.187034      2.752474     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00009963442598
                2s
                   +0 :               0.00151550900446
                3s
                   +0 :              -0.00059447976086
                2p
                   -1 :              -0.00066957143533
                   +0 :               0.00143972956808
                   +1 :               0.00049548746408
                3p
                   -1 :               0.00012649368337
                   +0 :              -0.00107483502611
                   +1 :              -0.00130123988552
                3d
                   -2 :               0.00009780646322
                   -1 :              -0.00013061871938
                   +0 :               0.00031771958452
                   +1 :              -0.00012752388460
                   +2 :               0.00003657521129
              3 vec=    -2.593128      7.244353     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00026697670563
                2s
                   +0 :               0.00275548671173
                3s
                   +0 :              -0.00098458023558
                2p
                   -1 :               0.00182677268755
                   +0 :              -0.00338340135787
                   +1 :               0.00195635229114
                3p
                   -1 :              -0.00123755322641
                   +0 :               0.00080488212322
                   +1 :              -0.00047820424643
                3d
                   -2 :               0.00009666591240
                   -1 :              -0.00003595657249
                   +0 :               0.00010267500240
                   +1 :               0.00021524590021
                   +2 :              -0.00001324233695
              4 vec=     5.187034     -6.231284     -4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00011960441464
                2s
                   +0 :               0.00051916013931
                3s
                   +0 :              -0.00052470283864
                2p
                   -1 :               0.00178605911210
                   +0 :              -0.00109367545176
                   +1 :              -0.00207583127658
                3p
                   -1 :              -0.00041042785386
                   +0 :               0.00006218802415
                   +1 :               0.00186325534450
                3d
                   -2 :              -0.00003694803538
                   -1 :               0.00010966965701
                   +0 :              -0.00002030652718
                   +1 :              -0.00008134800733
                   +2 :               0.00015824669873
              5 vec=   -10.373291      2.752474     -4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00025876286525
                2s
                   +0 :               0.00145945987405
                3s
                   +0 :              -0.00081917674716
                2p
                   -1 :              -0.00038248909883
                   +0 :               0.00053963041951
                   +1 :              -0.00109732390484
                3p
                   -1 :               0.00031340660391
                   +0 :              -0.00056210432245
                   +1 :               0.00108270157764
                3d
                   -2 :              -0.00004125329118
                   -1 :               0.00000301769223
                   +0 :               0.00005124479287
                   +1 :               0.00002981713821
                   +2 :              -0.00006431671763
              6 vec=    -2.593128    -10.723163     -4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00002926856532
                2s
                   +0 :               0.00004979298679
                3s
                   +0 :              -0.00014306179207
                2p
                   -1 :               0.00026436948813
                   +0 :              -0.00017558458090
                   +1 :               0.00006676589502
                3p
                   -1 :              -0.00001828266935
                   +0 :               0.00006335806303
                   +1 :              -0.00007980969606
                3d
                   -2 :              -0.00000608865586
                   -1 :               0.00000310837882
                   +0 :               0.00002019098939
                   +1 :               0.00000117808448
                   +2 :               0.00000997775041
              7 vec=   -10.373291     -6.231284     -4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00002422786459
                2s
                   +0 :               0.00003693783583
                3s
                   +0 :              -0.00014618364337
                2p
                   -1 :              -0.00040492593970
                   +0 :              -0.00006616015626
                   +1 :              -0.00010585545592
                3p
                   -1 :               0.00024677872772
                   +0 :               0.00016282475895
                   +1 :               0.00019690563756
                3d
                   -2 :              -0.00000095917711
                   -1 :               0.00002209794835
                   +0 :               0.00004172784467
                   +1 :              -0.00002715440610
                   +2 :               0.00000488632310
              8 vec=     5.187034     11.736232     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00007299417270
                2s
                   +0 :              -0.00083016701801
                3s
                   +0 :               0.00018014854503
                2p
                   -1 :              -0.00069809975195
                   +0 :              -0.00017286474957
                   +1 :              -0.00050300736634
                3p
                   -1 :               0.00021570657881
                   +0 :               0.00012168889864
                   +1 :               0.00019369682553
                3d
                   -2 :              -0.00000545836435
                   -1 :               0.00000828475327
                   +0 :               0.00001770878262
                   +1 :               0.00002266977741
                   +2 :               0.00003444592883
              9 vec=    12.967197     -1.739405     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00000696276335
                2s
                   +0 :              -0.00025049722959
                3s
                   +0 :              -0.00009632277993
                2p
                   -1 :              -0.00001449073004
                   +0 :               0.00008992218263
                   +1 :              -0.00054941726910
                3p
                   -1 :              -0.00001745900875
                   +0 :              -0.00010598229534
                   +1 :               0.00014868066012
                3d
                   -2 :               0.00000136226949
                   -1 :               0.00001525417155
                   +0 :               0.00001108413035
                   +1 :              -0.00002722483586
                   +2 :              -0.00002078539151
             10 vec=    12.967197      7.244353     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00004372802962
                2s
                   +0 :               0.00024117095760
                3s
                   +0 :              -0.00012567257864
                2p
                   -1 :               0.00009801615377
                   +0 :               0.00001018170411
                   +1 :               0.00009830696672
                3p
                   -1 :              -0.00009871899177
                   +0 :              -0.00002123084132
                   +1 :              -0.00008990773675
                3d
                   -2 :              -0.00001081719807
                   -1 :               0.00000229093424
                   +0 :               0.00000114958439
                   +1 :               0.00000141150289
                   +2 :              -0.00000198609220
             11 vec=   -10.373291     11.736232     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000884894497
                2s
                   +0 :               0.00005500350937
                3s
                   +0 :              -0.00006306660948
                2p
                   -1 :               0.00022714330993
                   +0 :              -0.00004883308610
                   +1 :              -0.00003395131400
                3p
                   -1 :              -0.00026455416931
                   +0 :               0.00002340813332
                   +1 :               0.00006088076856
                3d
                   -2 :               0.00001939169312
                   -1 :               0.00000488600741
                   +0 :               0.00000723359940
                   +1 :              -0.00000123086948
                   +2 :               0.00002011801266
             12 vec=     5.187034    -15.215042     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00000127528180
                2s
                   +0 :              -0.00001999181089
                3s
                   +0 :              -0.00000681463410
                2p
                   -1 :              -0.00011816546159
                   +0 :              -0.00004312941355
                   +1 :              -0.00006256722911
                3p
                   -1 :               0.00014295773523
                   +0 :               0.00001520719655
                   +1 :               0.00003945671441
                3d
                   -2 :               0.00000521950927
                   -1 :               0.00000115675913
                   +0 :               0.00000901618859
                   +1 :               0.00000348559850
                   +2 :               0.00000787916711
             13 vec=    -2.593128     16.228111     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00000912322035
                2s
                   +0 :              -0.00005913840671
                3s
                   +0 :               0.00003277323200
                2p
                   -1 :              -0.00003961926506
                   +0 :               0.00004655082348
                   +1 :              -0.00004737691503
                3p
                   -1 :               0.00000132938435
                   +0 :              -0.00005210149884
                   +1 :               0.00004789161425
                3d
                   -2 :               0.00000481367977
                   -1 :              -0.00000810975402
                   +0 :               0.00000597484037
                   +1 :              -0.00000455495484
                   +2 :              -0.00000516529946
             14 vec=    12.967197    -10.723163     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00000121618980
                2s
                   +0 :              -0.00002679086588
                3s
                   +0 :              -0.00000829384189
                2p
                   -1 :              -0.00003357061447
                   +0 :              -0.00005563640112
                   +1 :              -0.00006951253044
                3p
                   -1 :               0.00004535101454
                   +0 :               0.00003102942423
                   +1 :               0.00002963398965
                3d
                   -2 :               0.00000375506512
                   -1 :               0.00000030461774
                   +0 :              -0.00000228538119
                   +1 :              -0.00000179869707
                   +2 :              -0.00000312684414
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 18)  npairs=  14
              1 vec=     2.803193     -1.376461     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00244480290500
                2s
                   +0 :              -0.05291713171730
                3s
                   +0 :               0.00361095973478
                2p
                   -1 :               0.00732454946381
                   +0 :               0.02508600057968
                   +1 :              -0.02444791336699
                3p
                   -1 :               0.00212470707911
                   +0 :              -0.00004998677353
                   +1 :               0.00281327126398
                3d
                   -2 :               0.00072997527192
                   -1 :              -0.00077264900314
                   +0 :              -0.00100940089212
                   +1 :               0.00293097088628
                   +2 :              -0.00115327175945
              2 vec=    -4.976970      3.115418     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00227431978563
                2s
                   +0 :              -0.01623688272556
                3s
                   +0 :               0.00762274220947
                2p
                   -1 :              -0.00869762683312
                   +0 :               0.00577509921721
                   +1 :               0.01256394394977
                3p
                   -1 :               0.00596179856926
                   +0 :              -0.00451353909850
                   +1 :              -0.00908059447942
                3d
                   -2 :              -0.00068246999695
                   -1 :              -0.00028023585243
                   +0 :              -0.00035756250676
                   +1 :               0.00043643833262
                   +2 :               0.00033544937047
              3 vec=    -4.976970     -5.868340     -4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00009558940108
                2s
                   +0 :              -0.00087320127239
                3s
                   +0 :              -0.00005024533821
                2p
                   -1 :               0.00534995824597
                   +0 :              -0.00274904071783
                   +1 :               0.00148710626847
                3p
                   -1 :              -0.00204614237348
                   +0 :               0.00056370608329
                   +1 :              -0.00042634227122
                3d
                   -2 :              -0.00006597618883
                   -1 :               0.00009085436337
                   +0 :               0.00012212165196
                   +1 :               0.00010439395844
                   +2 :               0.00003999310749
              4 vec=     2.803193      7.607297     -4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00016867918136
                2s
                   +0 :              -0.00120198227014
                3s
                   +0 :               0.00017294154314
                2p
                   -1 :              -0.00115870603820
                   +0 :              -0.00193827939755
                   +1 :              -0.00200731477526
                3p
                   -1 :              -0.00090268824481
                   +0 :               0.00056811205016
                   +1 :               0.00033951812330
                3d
                   -2 :              -0.00013032693965
                   -1 :              -0.00003182905595
                   +0 :               0.00014640987123
                   +1 :              -0.00000245021084
                   +2 :               0.00017600080797
              5 vec=     2.803193    -10.360219     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00004552833389
                2s
                   +0 :              -0.00060120267215
                3s
                   +0 :               0.00017949570069
                2p
                   -1 :               0.00034427824210
                   +0 :              -0.00018448712314
                   +1 :              -0.00079920706420
                3p
                   -1 :              -0.00009816993465
                   +0 :               0.00011912963498
                   +1 :               0.00074320070659
                3d
                   -2 :              -0.00007041111889
                   -1 :               0.00001440955014
                   +0 :              -0.00004694704177
                   +1 :              -0.00003503245578
                   +2 :              -0.00002153647042
              6 vec=    10.583355      3.115418     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00006918106013
                2s
                   +0 :              -0.00045525816159
                3s
                   +0 :               0.00022180573274
                2p
                   -1 :              -0.00085270435611
                   +0 :              -0.00030966622122
                   +1 :              -0.00045064411779
                3p
                   -1 :               0.00071613207499
                   +0 :               0.00014934881274
                   +1 :               0.00048613551167
                3d
                   -2 :               0.00003039143907
                   -1 :              -0.00001293284686
                   +0 :              -0.00003196819067
                   +1 :               0.00000082662267
                   +2 :               0.00006053697823
              7 vec=    10.583355     -5.868340     -4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00000634028196
                2s
                   +0 :              -0.00012667735588
                3s
                   +0 :              -0.00002969786065
                2p
                   -1 :               0.00002399012510
                   +0 :               0.00028566151560
                   +1 :               0.00015711293127
                3p
                   -1 :               0.00008593965208
                   +0 :              -0.00014039995713
                   +1 :              -0.00018154018758
                3d
                   -2 :              -0.00003185004091
                   -1 :               0.00002912654027
                   +0 :               0.00000536036429
                   +1 :              -0.00000623070429
                   +2 :              -0.00000114395455
              8 vec=   -12.757133     -1.376461     -4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00000163184069
                2s
                   +0 :              -0.00020320996302
                3s
                   +0 :              -0.00009475249028
                2p
                   -1 :               0.00009238050467
                   +0 :               0.00008039988075
                   +1 :               0.00011123100618
                3p
                   -1 :              -0.00007047445536
                   +0 :              -0.00005307170519
                   +1 :               0.00021724529953
                3d
                   -2 :               0.00000119051303
                   -1 :              -0.00000985361521
                   +0 :               0.00002491875761
                   +1 :               0.00001550440303
                   +2 :              -0.00004248978652
              9 vec=    -4.976970     12.099176     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00000113729154
                2s
                   +0 :              -0.00006508023983
                3s
                   +0 :              -0.00003239932155
                2p
                   -1 :              -0.00018766189663
                   +0 :              -0.00015870697395
                   +1 :              -0.00015131496599
                3p
                   -1 :               0.00008709918813
                   +0 :               0.00010889369954
                   +1 :               0.00013312534449
                3d
                   -2 :              -0.00001540178148
                   -1 :               0.00000071259204
                   +0 :               0.00000427548956
                   +1 :              -0.00000690214990
                   +2 :              -0.00000709135725
             10 vec=   -12.757133      7.607297     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00002156253225
                2s
                   +0 :              -0.00012328079329
                3s
                   +0 :               0.00003091242606
                2p
                   -1 :              -0.00013999547336
                   +0 :               0.00007778873202
                   +1 :               0.00014282583402
                3p
                   -1 :               0.00006778204894
                   +0 :              -0.00008495403042
                   +1 :              -0.00005981820537
                3d
                   -2 :               0.00001768708528
                   -1 :              -0.00001095439962
                   +0 :               0.00001267838889
                   +1 :               0.00000249771199
                   +2 :              -0.00000156246089
             11 vec=    -4.976970    -14.852098     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00000621982994
                2s
                   +0 :              -0.00003001260318
                3s
                   +0 :              -0.00000470646328
                2p
                   -1 :               0.00003834170227
                   +0 :              -0.00002924895601
                   +1 :              -0.00001019603022
                3p
                   -1 :               0.00001785386942
                   +0 :               0.00001019424691
                   +1 :              -0.00000003059939
                3d
                   -2 :               0.00000817478781
                   -1 :              -0.00000605058753
                   +0 :               0.00001119986814
                   +1 :               0.00000175557033
                   +2 :               0.00000114425855
             12 vec=    10.583355     12.099176     -4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00002072251860
                2s
                   +0 :               0.00012941967553
                3s
                   +0 :              -0.00006355223282
                2p
                   -1 :               0.00011636670855
                   +0 :               0.00004282073131
                   +1 :               0.00003129116156
                3p
                   -1 :              -0.00008940708229
                   +0 :              -0.00006123294419
                   +1 :              -0.00003355014086
                3d
                   -2 :              -0.00000235761007
                   -1 :               0.00000127079943
                   +0 :               0.00000743992924
                   +1 :              -0.00000133135365
                   +2 :               0.00000086602305
             13 vec=   -12.757133    -10.360219     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000169714570
                2s
                   +0 :               0.00002703085479
                3s
                   +0 :              -0.00000386389686
                2p
                   -1 :               0.00003547322175
                   +0 :              -0.00009273298830
                   +1 :              -0.00003335874590
                3p
                   -1 :              -0.00004561218622
                   +0 :               0.00005986919481
                   +1 :               0.00003796823865
                3d
                   -2 :              -0.00000461950343
                   -1 :               0.00000450727456
                   +0 :              -0.00000407576081
                   +1 :              -0.00000071161775
                   +2 :               0.00000099284650
             14 vec=     2.803193     16.591055     -4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00000187222307
                2s
                   +0 :              -0.00001018623229
                3s
                   +0 :               0.00000204941620
                2p
                   -1 :              -0.00002743182897
                   +0 :               0.00004594368204
                   +1 :               0.00007719115507
                3p
                   -1 :               0.00001180303910
                   +0 :              -0.00006292362636
                   +1 :              -0.00002900557209
                3d
                   -2 :              -0.00000011126365
                   -1 :              -0.00000035486111
                   +0 :               0.00000198626278
                   +1 :              -0.00000026748634
                   +2 :              -0.00000181600202
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 19)  npairs=  15
              1 vec=    -5.186256     -0.000299     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00033387889269
                2s
                   +0 :              -0.00330347963705
                3s
                   +0 :               0.00056357152417
                2p
                   -1 :              -0.00214533010386
                   +0 :               0.00244326708857
                   +1 :               0.00138634398441
                3p
                   -1 :              -0.00007553482041
                   +0 :              -0.00052621703471
                   +1 :               0.00011340886221
                3d
                   -2 :               0.00010760102650
                   -1 :               0.00014949059863
                   +0 :              -0.00000034195454
                   +1 :              -0.00011295258291
                   +2 :               0.00002418048588
              2 vec=     2.593906      4.491580     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00060718137929
                2s
                   +0 :              -0.00590006426205
                3s
                   +0 :               0.00094303461272
                2p
                   -1 :              -0.00160637345343
                   +0 :               0.00754773062414
                   +1 :              -0.00424836213686
                3p
                   -1 :               0.00002839963302
                   +0 :              -0.00141626419892
                   +1 :               0.00090733433038
                3d
                   -2 :              -0.00013694509105
                   -1 :               0.00016662446162
                   +0 :              -0.00019723194567
                   +1 :               0.00025749810629
                   +2 :              -0.00014337462424
              3 vec=     2.593906     -4.492178     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00019419916383
                2s
                   +0 :              -0.00166853271188
                3s
                   +0 :              -0.00010474122484
                2p
                   -1 :               0.00047958562619
                   +0 :               0.00058385581615
                   +1 :               0.00215851559819
                3p
                   -1 :               0.00109286948191
                   +0 :               0.00103567227032
                   +1 :              -0.00121939653296
                3d
                   -2 :              -0.00002752835149
                   -1 :              -0.00023902582151
                   +0 :              -0.00004974526175
                   +1 :              -0.00003974608446
                   +2 :               0.00004039235255
              4 vec=    -5.186256      8.983459     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00001293843529
                2s
                   +0 :              -0.00005656610044
                3s
                   +0 :              -0.00002974430938
                2p
                   -1 :              -0.00009466732853
                   +0 :              -0.00039590499627
                   +1 :               0.00054331276996
                3p
                   -1 :              -0.00007669411988
                   +0 :               0.00018577150907
                   +1 :              -0.00057346502820
                3d
                   -2 :              -0.00003503138607
                   -1 :              -0.00000849042207
                   +0 :              -0.00002848706865
                   +1 :               0.00003399684547
                   +2 :              -0.00001144406903
              5 vec=    -5.186256     -8.984057     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000563207789
                2s
                   +0 :              -0.00011598038120
                3s
                   +0 :              -0.00006757311183
                2p
                   -1 :               0.00003776208333
                   +0 :              -0.00040346704316
                   +1 :               0.00034110576954
                3p
                   -1 :              -0.00005692092175
                   +0 :               0.00036428308682
                   +1 :              -0.00017720640586
                3d
                   -2 :               0.00000866915076
                   -1 :              -0.00001481058910
                   +0 :              -0.00003143268877
                   +1 :               0.00001673792736
                   +2 :              -0.00000305350923
              6 vec=    10.374069     -0.000299     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00001769631503
                2s
                   +0 :              -0.00044831060604
                3s
                   +0 :               0.00005464671773
                2p
                   -1 :               0.00032181701310
                   +0 :              -0.00038768504109
                   +1 :              -0.00026874725762
                3p
                   -1 :              -0.00016362080949
                   +0 :               0.00014276886305
                   +1 :               0.00000406548088
                3d
                   -2 :               0.00000285291954
                   -1 :               0.00001967561002
                   +0 :               0.00003437399516
                   +1 :              -0.00000923058688
                   +2 :              -0.00002791649939
              7 vec=   -12.966419      4.491580     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00003145271553
                2s
                   +0 :               0.00018388943222
                3s
                   +0 :              -0.00012051623454
                2p
                   -1 :               0.00014313285984
                   +0 :              -0.00002139566358
                   +1 :              -0.00019017311442
                3p
                   -1 :              -0.00009808779911
                   +0 :               0.00002454601829
                   +1 :               0.00023904931138
                3d
                   -2 :               0.00000044451979
                   -1 :              -0.00000451137853
                   +0 :               0.00002542939824
                   +1 :              -0.00001462158808
                   +2 :              -0.00001873396779
              8 vec=   -12.966419     -4.492178     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001245939628
                2s
                   +0 :               0.00004064463655
                3s
                   +0 :              -0.00002796148673
                2p
                   -1 :              -0.00004099516465
                   +0 :               0.00008923016828
                   +1 :              -0.00003870287400
                3p
                   -1 :               0.00003294681641
                   +0 :              -0.00006812801992
                   +1 :               0.00007474015922
                3d
                   -2 :               0.00000199250056
                   -1 :              -0.00000006783992
                   +0 :               0.00000023296966
                   +1 :               0.00000715759927
                   +2 :               0.00000112371134
              9 vec=     2.593906     13.475338     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000533802967
                2s
                   +0 :              -0.00003098421643
                3s
                   +0 :               0.00001049865998
                2p
                   -1 :              -0.00008345036461
                   +0 :              -0.00003223933681
                   +1 :               0.00007463341986
                3p
                   -1 :               0.00004804758657
                   +0 :               0.00001619834644
                   +1 :              -0.00006068825370
                3d
                   -2 :              -0.00000066993934
                   -1 :              -0.00000473533991
                   +0 :               0.00000094691906
                   +1 :               0.00000283553186
                   +2 :               0.00000003231832
             10 vec=    10.374069      8.983459     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000321894804
                2s
                   +0 :               0.00001974765633
                3s
                   +0 :              -0.00003592074735
                2p
                   -1 :              -0.00008629136310
                   +0 :              -0.00008112360579
                   +1 :              -0.00006580658501
                3p
                   -1 :               0.00002500916345
                   +0 :               0.00005587527566
                   +1 :               0.00003179999248
                3d
                   -2 :              -0.00000318869479
                   -1 :               0.00000346997539
                   +0 :              -0.00001091485701
                   +1 :              -0.00000232163522
                   +2 :              -0.00000126771403
             11 vec=     2.593906    -13.475936     -8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00001875774713
                2s
                   +0 :              -0.00019090261406
                3s
                   +0 :               0.00005946473708
                2p
                   -1 :               0.00017101945992
                   +0 :               0.00015427484713
                   +1 :               0.00005325165141
                3p
                   -1 :              -0.00006307498766
                   +0 :              -0.00011351620060
                   +1 :              -0.00010183318700
                3d
                   -2 :               0.00001435006109
                   -1 :               0.00001947974892
                   +0 :               0.00000720801531
                   +1 :              -0.00000833651555
                   +2 :              -0.00001720486396
             12 vec=    10.374069     -8.984057     -8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00000494052882
                2s
                   +0 :              -0.00008669496097
                3s
                   +0 :               0.00000602953890
                2p
                   -1 :               0.00022919068646
                   +0 :               0.00001946042471
                   +1 :              -0.00007496463862
                3p
                   -1 :              -0.00015064121808
                   +0 :               0.00000156930351
                   +1 :               0.00003427336578
                3d
                   -2 :              -0.00000390819474
                   -1 :              -0.00000004031298
                   +0 :               0.00000081447858
                   +1 :               0.00000262230379
                   +2 :              -0.00000498498348
             13 vec=    -5.186256     -0.000299     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000517045950
                2s
                   +0 :               0.00009786588342
                3s
                   +0 :               0.00000441343795
                2p
                   -1 :              -0.00013245782402
                   +0 :               0.00009503030249
                   +1 :               0.00000027053864
                3p
                   -1 :               0.00003008996659
                   +0 :               0.00000805013271
                   +1 :              -0.00007377901745
                3d
                   -2 :              -0.00000059285998
                   -1 :              -0.00000887307001
                   +0 :              -0.00000070092489
                   +1 :              -0.00001116515286
                   +2 :              -0.00000310261214
             14 vec=     2.593906      4.491580     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00003705607894
                2s
                   +0 :               0.00027848001320
                3s
                   +0 :              -0.00009659254298
                2p
                   -1 :              -0.00006406723074
                   +0 :               0.00025670767676
                   +1 :              -0.00004374233103
                3p
                   -1 :               0.00007658061768
                   +0 :              -0.00016631796534
                   +1 :               0.00003537998294
                3d
                   -2 :               0.00000720546921
                   -1 :               0.00000863842539
                   +0 :              -0.00000772873561
                   +1 :              -0.00000033200596
                   +2 :              -0.00000645367520
             15 vec=     2.593906     -4.492178     16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00002941962028
                2s
                   +0 :               0.00026019469708
                3s
                   +0 :              -0.00004693386137
                2p
                   -1 :              -0.00008859238143
                   +0 :               0.00019745063316
                   +1 :               0.00006219604706
                3p
                   -1 :               0.00012328860912
                   +0 :              -0.00004115047631
                   +1 :              -0.00000664535481
                3d
                   -2 :               0.00000524458610
                   -1 :               0.00001264264273
                   +0 :               0.00000013265226
                   +1 :               0.00000755042200
                   +2 :               0.00000264609194
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 20)  npairs=  15
              1 vec=    -2.174296      4.491580     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00034368947021
                2s
                   +0 :              -0.00268273289071
                3s
                   +0 :               0.00036719275999
                2p
                   -1 :              -0.00084654810921
                   +0 :               0.00355809284516
                   +1 :               0.00116826096631
                3p
                   -1 :               0.00013271259276
                   +0 :              -0.00057691390405
                   +1 :               0.00134663199654
                3d
                   -2 :               0.00013339122973
                   -1 :               0.00004260341783
                   +0 :              -0.00014218976151
                   +1 :              -0.00035149539669
                   +2 :              -0.00011645147752
              2 vec=    -2.174296     -4.492178     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00030969681433
                2s
                   +0 :              -0.00356136754013
                3s
                   +0 :               0.00019207896339
                2p
                   -1 :               0.00291938163350
                   +0 :               0.00364177918843
                   +1 :              -0.00353174675955
                3p
                   -1 :              -0.00018119713403
                   +0 :              -0.00037744502840
                   +1 :               0.00174964842620
                3d
                   -2 :               0.00009581167900
                   -1 :              -0.00011193651053
                   +0 :              -0.00002560666175
                   +1 :              -0.00006055943116
                   +2 :               0.00001026517415
              3 vec=     5.605867     -0.000299     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00031310403738
                2s
                   +0 :              -0.00298128875323
                3s
                   +0 :               0.00010296209438
                2p
                   -1 :              -0.00172080569983
                   +0 :               0.00143745029674
                   +1 :              -0.00211902873533
                3p
                   -1 :               0.00034190510802
                   +0 :               0.00100315202956
                   +1 :               0.00015418867277
                3d
                   -2 :              -0.00007346478110
                   -1 :               0.00019669888368
                   +0 :              -0.00012661236979
                   +1 :               0.00005467813376
                   +2 :               0.00002349445993
              4 vec=    -9.954459     -0.000299     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00011462997536
                2s
                   +0 :              -0.00098192130520
                3s
                   +0 :               0.00045918430169
                2p
                   -1 :               0.00002568800317
                   +0 :              -0.00019609127035
                   +1 :               0.00063999484879
                3p
                   -1 :               0.00024937008756
                   +0 :              -0.00004781272256
                   +1 :              -0.00047370372408
                3d
                   -2 :              -0.00004384626795
                   -1 :              -0.00003543708350
                   +0 :              -0.00000176262755
                   +1 :               0.00007048903933
                   +2 :               0.00003204297751
              5 vec=     5.605867      8.983459     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00005253179222
                2s
                   +0 :              -0.00063726382289
                3s
                   +0 :               0.00008752505863
                2p
                   -1 :              -0.00030375124487
                   +0 :               0.00002530706197
                   +1 :              -0.00006841944470
                3p
                   -1 :              -0.00004959384282
                   +0 :              -0.00007734039290
                   +1 :              -0.00001892101481
                3d
                   -2 :              -0.00000842113419
                   -1 :               0.00000437307207
                   +0 :               0.00001316932084
                   +1 :              -0.00002549512695
                   +2 :               0.00001267941150
              6 vec=     5.605867     -8.984057     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00001157404172
                2s
                   +0 :              -0.00021251849011
                3s
                   +0 :               0.00000910396000
                2p
                   -1 :              -0.00007758806430
                   +0 :              -0.00024200885709
                   +1 :              -0.00023288445768
                3p
                   -1 :               0.00009873293681
                   +0 :               0.00020391089096
                   +1 :               0.00011216008609
                3d
                   -2 :              -0.00001997594369
                   -1 :               0.00000879035402
                   +0 :              -0.00004164228601
                   +1 :               0.00000318126084
                   +2 :               0.00001002956376
              7 vec=    -9.954459      8.983459     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00003572653259
                2s
                   +0 :               0.00021892420928
                3s
                   +0 :              -0.00015823280843
                2p
                   -1 :               0.00003319489695
                   +0 :              -0.00013180367097
                   +1 :              -0.00028872156886
                3p
                   -1 :              -0.00011150723764
                   +0 :               0.00013969027103
                   +1 :               0.00025738989193
                3d
                   -2 :               0.00000195272700
                   -1 :               0.00001258621494
                   +0 :              -0.00000386144705
                   +1 :              -0.00001104633010
                   +2 :               0.00001058352376
              8 vec=    -9.954459     -8.984057     -8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00000635888845
                2s
                   +0 :              -0.00009316759131
                3s
                   +0 :               0.00001100336553
                2p
                   -1 :               0.00016488780059
                   +0 :               0.00009204870763
                   +1 :               0.00016539607640
                3p
                   -1 :              -0.00007566819768
                   +0 :              -0.00004871266671
                   +1 :              -0.00008648108300
                3d
                   -2 :               0.00000431658243
                   -1 :               0.00000346286049
                   +0 :               0.00001032886538
                   +1 :              -0.00000353690827
                   +2 :               0.00000191608553
              9 vec=    -2.174296     13.475338     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00000435060868
                2s
                   +0 :              -0.00002923407213
                3s
                   +0 :               0.00000816164163
                2p
                   -1 :              -0.00004272214349
                   +0 :              -0.00002612425670
                   +1 :              -0.00009568649186
                3p
                   -1 :               0.00003581086124
                   +0 :               0.00002528600886
                   +1 :               0.00009618818766
                3d
                   -2 :               0.00000595024512
                   -1 :               0.00000262180025
                   +0 :              -0.00000207011521
                   +1 :               0.00000264844101
                   +2 :              -0.00000097430566
             10 vec=    -2.174296    -13.475936     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00002572356244
                2s
                   +0 :               0.00014845712335
                3s
                   +0 :              -0.00010113920531
                2p
                   -1 :               0.00001384383853
                   +0 :               0.00007071878936
                   +1 :               0.00002198690458
                3p
                   -1 :               0.00003734153450
                   +0 :              -0.00005973299745
                   +1 :               0.00004933695179
                3d
                   -2 :              -0.00000711575439
                   -1 :               0.00001248410119
                   +0 :              -0.00000321071052
                   +1 :               0.00000361889682
                   +2 :               0.00000187989884
             11 vec=    13.386029      4.491580     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000172917657
                2s
                   +0 :              -0.00001223411928
                3s
                   +0 :              -0.00002432636963
                2p
                   -1 :              -0.00003556959911
                   +0 :              -0.00013588881704
                   +1 :              -0.00004783747399
                3p
                   -1 :               0.00002074786418
                   +0 :               0.00012309404161
                   +1 :              -0.00002419746970
                3d
                   -2 :               0.00000195137369
                   -1 :              -0.00000314550542
                   +0 :              -0.00000726136461
                   +1 :               0.00000645816441
                   +2 :              -0.00000256371261
             12 vec=    13.386029     -4.492178     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000809324218
                2s
                   +0 :              -0.00006820043370
                3s
                   +0 :              -0.00000717174309
                2p
                   -1 :               0.00004087840050
                   +0 :              -0.00005212391367
                   +1 :              -0.00007633509282
                3p
                   -1 :              -0.00002646145753
                   +0 :               0.00005414874644
                   +1 :               0.00001710266869
                3d
                   -2 :              -0.00000290035386
                   -1 :              -0.00000239687996
                   +0 :               0.00000093382332
                   +1 :               0.00000050287953
                   +2 :              -0.00000489800728
             13 vec=    -2.174296      4.491580     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00005371331565
                2s
                   +0 :               0.00042486407671
                3s
                   +0 :              -0.00013344678593
                2p
                   -1 :               0.00016045988584
                   +0 :               0.00029726470853
                   +1 :              -0.00010574685787
                3p
                   -1 :              -0.00009218644586
                   +0 :              -0.00014045039191
                   +1 :               0.00012797297330
                3d
                   -2 :               0.00000057996316
                   -1 :              -0.00000057794580
                   +0 :              -0.00000190896158
                   +1 :               0.00001303500506
                   +2 :              -0.00000149275708
             14 vec=    -2.174296     -4.492178     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00001870307094
                2s
                   +0 :               0.00017604435998
                3s
                   +0 :              -0.00004612722114
                2p
                   -1 :              -0.00000039765059
                   +0 :               0.00018295413466
                   +1 :              -0.00015950274460
                3p
                   -1 :               0.00001743306790
                   +0 :              -0.00006380363858
                   +1 :               0.00007504687014
                3d
                   -2 :              -0.00000608633678
                   -1 :               0.00000695336073
                   +0 :              -0.00000161317796
                   +1 :               0.00000055135070
                   +2 :               0.00000545545035
             15 vec=     5.605867     -0.000299     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00001383191055
                2s
                   +0 :               0.00013443117909
                3s
                   +0 :               0.00000528898887
                2p
                   -1 :               0.00010535467629
                   +0 :               0.00017845851122
                   +1 :               0.00008901454264
                3p
                   -1 :              -0.00013614878572
                   +0 :              -0.00005834681004
                   +1 :              -0.00006133297477
                3d
                   -2 :              -0.00000578183777
                   -1 :              -0.00001443910421
                   +0 :               0.00000863351320
                   +1 :              -0.00000065343383
                   +2 :              -0.00000987329853
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 21)  npairs=  14
              1 vec=     0.209805     -0.362794     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00037069943259
                2s
                   +0 :              -0.00059512507350
                3s
                   +0 :               0.00134501107200
                2p
                   -1 :               0.00163397171522
                   +0 :               0.00396671515574
                   +1 :               0.00171277268756
                3p
                   -1 :              -0.00097662193309
                   +0 :              -0.00374182815605
                   +1 :              -0.00088995815634
                3d
                   -2 :               0.00001431148504
                   -1 :              -0.00009192639251
                   +0 :               0.00075988249077
                   +1 :              -0.00010987177378
                   +2 :               0.00011655505348
              2 vec=    -7.570358      4.129085     -8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00024658689751
                2s
                   +0 :               0.00103523252311
                3s
                   +0 :              -0.00084501746048
                2p
                   -1 :              -0.00125275981340
                   +0 :              -0.00124458433995
                   +1 :               0.00100103305411
                3p
                   -1 :               0.00083720222271
                   +0 :               0.00094171079405
                   +1 :              -0.00044887464418
                3d
                   -2 :              -0.00003956243416
                   -1 :               0.00000698317332
                   +0 :              -0.00004854570874
                   +1 :               0.00004467148769
                   +2 :               0.00002921143701
              3 vec=     0.209805      8.620964     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00005272392139
                2s
                   +0 :               0.00012601761512
                3s
                   +0 :              -0.00014755429602
                2p
                   -1 :              -0.00054842655742
                   +0 :               0.00053727723699
                   +1 :               0.00032681090740
                3p
                   -1 :               0.00027642476514
                   +0 :              -0.00040861797931
                   +1 :              -0.00027882493655
                3d
                   -2 :              -0.00004464489513
                   -1 :              -0.00001246156884
                   +0 :               0.00004282620579
                   +1 :               0.00004510860125
                   +2 :              -0.00001969254541
              4 vec=    -7.570358     -4.854673     -8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00006195415889
                2s
                   +0 :              -0.00046584110989
                3s
                   +0 :               0.00026767822914
                2p
                   -1 :               0.00070554167985
                   +0 :              -0.00014296433202
                   +1 :               0.00054862873368
                3p
                   -1 :              -0.00045360086796
                   +0 :               0.00005322207187
                   +1 :              -0.00014946643431
                3d
                   -2 :               0.00002786974170
                   -1 :               0.00001307624276
                   +0 :              -0.00002195081854
                   +1 :               0.00001088870639
                   +2 :               0.00002419523397
              5 vec=     7.989968      4.129085     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00001417725275
                2s
                   +0 :              -0.00046774560790
                3s
                   +0 :              -0.00013308124896
                2p
                   -1 :              -0.00004760892819
                   +0 :              -0.00049330138762
                   +1 :              -0.00020600170141
                3p
                   -1 :              -0.00015274697000
                   +0 :               0.00013387959950
                   +1 :              -0.00019491443039
                3d
                   -2 :              -0.00002780625267
                   -1 :               0.00001836752957
                   +0 :               0.00003903639497
                   +1 :               0.00001105261986
                   +2 :              -0.00000668336524
              6 vec=     0.209805     -9.346552     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00001320685083
                2s
                   +0 :              -0.00059807386169
                3s
                   +0 :               0.00004516728952
                2p
                   -1 :               0.00091458612711
                   +0 :               0.00061893752145
                   +1 :               0.00006567811592
                3p
                   -1 :              -0.00036823802226
                   +0 :              -0.00060577472652
                   +1 :              -0.00010636352368
                3d
                   -2 :               0.00003529573355
                   -1 :               0.00000819664412
                   +0 :               0.00001264971833
                   +1 :              -0.00000034116537
                   +2 :               0.00001698887341
              7 vec=     7.989968     -4.854673     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00003101355090
                2s
                   +0 :              -0.00031870044742
                3s
                   +0 :               0.00006351751371
                2p
                   -1 :               0.00015346276673
                   +0 :              -0.00035382240695
                   +1 :              -0.00086729674483
                3p
                   -1 :               0.00001648253343
                   +0 :               0.00041599979914
                   +1 :               0.00050598111192
                3d
                   -2 :              -0.00003079064902
                   -1 :               0.00000547496815
                   +0 :              -0.00006275032755
                   +1 :               0.00002269771018
                   +2 :               0.00001823113396
              8 vec=     0.209805     -0.362794     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001783980388
                2s
                   +0 :               0.00013232064519
                3s
                   +0 :              -0.00002566177211
                2p
                   -1 :              -0.00002084235544
                   +0 :               0.00011285893289
                   +1 :              -0.00004439951886
                3p
                   -1 :               0.00001798910470
                   +0 :              -0.00000841439755
                   +1 :               0.00004114143214
                3d
                   -2 :               0.00000040724556
                   -1 :               0.00000077563876
                   +0 :               0.00000553631585
                   +1 :              -0.00000037016127
                   +2 :               0.00001311004698
              9 vec=    -7.570358     13.112843     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000742247301
                2s
                   +0 :               0.00004685052764
                3s
                   +0 :              -0.00005450562901
                2p
                   -1 :              -0.00002966834620
                   +0 :               0.00007030988922
                   +1 :               0.00006893614331
                3p
                   -1 :              -0.00001532584849
                   +0 :              -0.00004995896582
                   +1 :              -0.00004088163994
                3d
                   -2 :               0.00000194566774
                   -1 :              -0.00000180048208
                   +0 :               0.00000816486261
                   +1 :               0.00000601267360
                   +2 :               0.00000456321888
             10 vec=   -15.350520     -0.362794     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000437478633
                2s
                   +0 :              -0.00004709927107
                3s
                   +0 :               0.00000713110535
                2p
                   -1 :              -0.00009785375518
                   +0 :               0.00002425033451
                   +1 :              -0.00000174500224
                3p
                   -1 :               0.00007418769082
                   +0 :               0.00000812731326
                   +1 :               0.00004325141689
                3d
                   -2 :              -0.00000372505075
                   -1 :               0.00000069063067
                   +0 :               0.00000564217677
                   +1 :              -0.00000693286981
                   +2 :              -0.00000462787758
             11 vec=     7.989968     13.112843     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00001431434384
                2s
                   +0 :              -0.00012987553232
                3s
                   +0 :               0.00002383969928
                2p
                   -1 :              -0.00013960545102
                   +0 :               0.00001099318032
                   +1 :              -0.00006335347224
                3p
                   -1 :               0.00005821898684
                   +0 :               0.00002636106521
                   +1 :               0.00000203731414
                3d
                   -2 :              -0.00000301749926
                   -1 :               0.00000087131359
                   +0 :              -0.00000101283624
                   +1 :               0.00000182333114
                   +2 :              -0.00000377843366
             12 vec=    -7.570358    -13.838431     -8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00001285752520
                2s
                   +0 :              -0.00009136898853
                3s
                   +0 :               0.00002191227819
                2p
                   -1 :               0.00000793129633
                   +0 :               0.00002310489887
                   +1 :               0.00002238987340
                3p
                   -1 :               0.00003158227015
                   +0 :               0.00002408654680
                   +1 :              -0.00002643798378
                3d
                   -2 :              -0.00000016961435
                   -1 :              -0.00000058190289
                   +0 :              -0.00000195855330
                   +1 :               0.00000171003733
                   +2 :               0.00000187405178
             13 vec=    15.770130     -0.362794     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000161718654
                2s
                   +0 :              -0.00005169011846
                3s
                   +0 :              -0.00001948238778
                2p
                   -1 :              -0.00000337325525
                   +0 :               0.00003676347341
                   +1 :              -0.00003347110778
                3p
                   -1 :              -0.00000888971214
                   +0 :               0.00000706414027
                   +1 :              -0.00003486669144
                3d
                   -2 :              -0.00000493743363
                   -1 :               0.00000509870818
                   +0 :              -0.00000326965675
                   +1 :               0.00000754189665
                   +2 :              -0.00000439251743
             14 vec=     7.989968    -13.838431     -8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00000320981445
                2s
                   +0 :              -0.00000768251395
                3s
                   +0 :              -0.00001211106459
                2p
                   -1 :               0.00001295252921
                   +0 :               0.00004821460938
                   +1 :               0.00003489909967
                3p
                   -1 :               0.00001644153756
                   +0 :              -0.00003555935550
                   +1 :              -0.00003478292838
                3d
                   -2 :              -0.00000330066875
                   -1 :               0.00000283272927
                   +0 :               0.00000157663704
                   +1 :               0.00000148006285
                   +2 :               0.00000160489056
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 22)  npairs=  14
              1 vec=    -2.173777     -1.739555      4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00216420870876
                2s
                   +0 :               0.07593397834969
                3s
                   +0 :              -0.00405765128685
                2p
                   -1 :              -0.02876663351529
                   +0 :               0.04612826238898
                   +1 :              -0.03251435248507
                3p
                   -1 :               0.00422513797975
                   +0 :              -0.00577341400258
                   +1 :               0.00469863206387
                3d
                   -2 :               0.00186724226321
                   -1 :              -0.00092273285877
                   +0 :               0.00097157939511
                   +1 :              -0.00095566190768
                   +2 :               0.00013277308238
              2 vec=     5.606385      2.752324      4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00029560798182
                2s
                   +0 :               0.00257216158106
                3s
                   +0 :              -0.00064080689976
                2p
                   -1 :               0.00256531000507
                   +0 :              -0.00060059462410
                   +1 :               0.00079316571032
                3p
                   -1 :              -0.00152705860939
                   +0 :               0.00114780338746
                   +1 :               0.00069118603897
                3d
                   -2 :               0.00007680760435
                   -1 :              -0.00007671215070
                   +0 :               0.00016242190698
                   +1 :              -0.00008771351598
                   +2 :               0.00000312918238
              3 vec=    -2.173777      7.244203      4.091257   |vec|=    8.598963
                1s
                   +0 :              -0.00026947139076
                2s
                   +0 :               0.00136329709759
                3s
                   +0 :              -0.00092320057221
                2p
                   -1 :               0.00261978279139
                   +0 :              -0.00293657774381
                   +1 :              -0.00302562197123
                3p
                   -1 :              -0.00197112193360
                   +0 :               0.00005347103468
                   +1 :               0.00062410638535
                3d
                   -2 :              -0.00016454503684
                   -1 :              -0.00027199180258
                   +0 :               0.00001619560258
                   +1 :               0.00002190344138
                   +2 :               0.00008460651104
              4 vec=     5.606385     -6.231434      4.091257   |vec|=    9.327417
                1s
                   +0 :              -0.00030844065619
                2s
                   +0 :               0.00217378970812
                3s
                   +0 :              -0.00079790131727
                2p
                   -1 :              -0.00255712494406
                   +0 :               0.00001495883570
                   +1 :               0.00206217085925
                3p
                   -1 :               0.00094442377043
                   +0 :              -0.00098353885096
                   +1 :              -0.00134530219165
                3d
                   -2 :               0.00001206563501
                   -1 :               0.00013537916347
                   +0 :               0.00000719908883
                   +1 :              -0.00008067128806
                   +2 :              -0.00009419196437
              5 vec=    -9.953940      2.752324      4.091257   |vec|=   11.108312
                1s
                   +0 :               0.00021731081719
                2s
                   +0 :              -0.00113536863503
                3s
                   +0 :               0.00060562362933
                2p
                   -1 :              -0.00089843280290
                   +0 :               0.00099060928051
                   +1 :              -0.00126033467789
                3p
                   -1 :               0.00069077413657
                   +0 :              -0.00108640431970
                   +1 :               0.00104969214986
                3d
                   -2 :               0.00006892829270
                   -1 :               0.00000922040617
                   +0 :               0.00007206089835
                   +1 :               0.00001570758199
                   +2 :              -0.00011239015217
              6 vec=    -2.173777    -10.723313      4.091257   |vec|=   11.681316
                1s
                   +0 :              -0.00010336749764
                2s
                   +0 :               0.00061586297817
                3s
                   +0 :              -0.00021795192611
                2p
                   -1 :              -0.00048555871060
                   +0 :               0.00017149229833
                   +1 :               0.00040471000962
                3p
                   -1 :               0.00055690267244
                   +0 :              -0.00025152273698
                   +1 :              -0.00028856919550
                3d
                   -2 :              -0.00001371803757
                   -1 :              -0.00003564202773
                   +0 :               0.00000524145231
                   +1 :              -0.00000012565920
                   +2 :               0.00000798198254
              7 vec=    -9.953940     -6.231434      4.091257   |vec|=   12.435838
                1s
                   +0 :              -0.00002911191867
                2s
                   +0 :               0.00030790351623
                3s
                   +0 :              -0.00013624694381
                2p
                   -1 :               0.00036157358759
                   +0 :               0.00041341961692
                   +1 :              -0.00059076173240
                3p
                   -1 :              -0.00003815066191
                   +0 :              -0.00007257098566
                   +1 :               0.00064205416256
                3d
                   -2 :              -0.00002979631839
                   -1 :              -0.00000928687742
                   +0 :               0.00003931123074
                   +1 :              -0.00001903060263
                   +2 :              -0.00001351018783
              8 vec=     5.606385     11.736082      4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00003552374723
                2s
                   +0 :               0.00047241732972
                3s
                   +0 :               0.00001245446994
                2p
                   -1 :               0.00005990211630
                   +0 :              -0.00015324739580
                   +1 :               0.00026540072488
                3p
                   -1 :               0.00015081736849
                   +0 :               0.00012911760998
                   +1 :               0.00000744179203
                3d
                   -2 :               0.00001895001550
                   -1 :               0.00003526493809
                   +0 :               0.00000143699938
                   +1 :              -0.00001046969680
                   +2 :              -0.00001821535341
              9 vec=    13.386548     -1.739555      4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00000564871195
                2s
                   +0 :               0.00010162603528
                3s
                   +0 :               0.00000753132982
                2p
                   -1 :               0.00011723360682
                   +0 :              -0.00009728524866
                   +1 :               0.00002269613742
                3p
                   -1 :              -0.00007286325144
                   +0 :               0.00004213187027
                   +1 :               0.00005292793770
                3d
                   -2 :              -0.00001759324713
                   -1 :               0.00000943878814
                   +0 :              -0.00000400533918
                   +1 :               0.00001858699028
                   +2 :              -0.00000539491708
             10 vec=    13.386548      7.244203      4.091257   |vec|=   15.761235
                1s
                   +0 :               0.00000903687907
                2s
                   +0 :              -0.00004146869586
                3s
                   +0 :               0.00002784123714
                2p
                   -1 :               0.00004636690000
                   +0 :              -0.00000813084781
                   +1 :              -0.00007682807668
                3p
                   -1 :              -0.00005388154778
                   +0 :              -0.00000003186546
                   +1 :               0.00006704943875
                3d
                   -2 :              -0.00000202442685
                   -1 :              -0.00000662760971
                   +0 :              -0.00000074588599
                   +1 :              -0.00000553878427
                   +2 :               0.00000462059325
             11 vec=    -9.953940     11.736082      4.091257   |vec|=   15.923408
                1s
                   +0 :              -0.00003621198492
                2s
                   +0 :               0.00024424603705
                3s
                   +0 :              -0.00009951087813
                2p
                   -1 :               0.00000478736392
                   +0 :               0.00012722295672
                   +1 :              -0.00006012321118
                3p
                   -1 :               0.00000854459854
                   +0 :              -0.00011793281965
                   +1 :               0.00000349898303
                3d
                   -2 :              -0.00000493398153
                   -1 :              -0.00001656024837
                   +0 :              -0.00001346077734
                   +1 :               0.00001155526834
                   +2 :               0.00000489912550
             12 vec=     5.606385    -15.215192      4.091257   |vec|=   16.723397
                1s
                   +0 :               0.00000056196336
                2s
                   +0 :               0.00000688101658
                3s
                   +0 :               0.00001692879876
                2p
                   -1 :              -0.00003944065269
                   +0 :              -0.00003584749701
                   +1 :               0.00002606797005
                3p
                   -1 :               0.00000649106649
                   +0 :               0.00000807621314
                   +1 :              -0.00003139859027
                3d
                   -2 :              -0.00000008369288
                   -1 :              -0.00000046037797
                   +0 :               0.00000100306745
                   +1 :              -0.00000088373117
                   +2 :              -0.00000040540454
             13 vec=    -2.173777     16.227961      4.091257   |vec|=   16.876327
                1s
                   +0 :              -0.00000772634578
                2s
                   +0 :               0.00006805458203
                3s
                   +0 :              -0.00000053135953
                2p
                   -1 :              -0.00001795356600
                   +0 :              -0.00005796914868
                   +1 :               0.00003458862233
                3p
                   -1 :               0.00005906047762
                   +0 :               0.00003995293732
                   +1 :              -0.00001128487593
                3d
                   -2 :               0.00000118060066
                   -1 :               0.00000470016002
                   +0 :              -0.00000096834949
                   +1 :              -0.00000345683431
                   +2 :              -0.00000705421799
             14 vec=    13.386548    -10.723313      4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00000438860780
                2s
                   +0 :              -0.00001485083548
                3s
                   +0 :               0.00001826193763
                2p
                   -1 :               0.00003101934141
                   +0 :              -0.00003530715552
                   +1 :               0.00005136707348
                3p
                   -1 :              -0.00001824441813
                   +0 :               0.00002458788239
                   +1 :              -0.00002598712480
                3d
                   -2 :               0.00000140849328
                   -1 :              -0.00000101765294
                   +0 :              -0.00000017353989
                   +1 :               0.00000098274507
                   +2 :               0.00000264646391
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 23)  npairs=  14
              1 vec=     2.593388     -1.739555      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00191780913781
                2s
                   +0 :               0.04938677655207
                3s
                   +0 :              -0.00225401443588
                2p
                   -1 :              -0.01425923588998
                   +0 :               0.02379335619954
                   +1 :               0.01701005325103
                3p
                   -1 :               0.00080577826097
                   +0 :               0.00048864623964
                   +1 :               0.00140398568901
                3d
                   -2 :              -0.00154125038240
                   -1 :              -0.00228611507492
                   +0 :               0.00094762571839
                   +1 :               0.00211338752937
                   +2 :               0.00008919230296
              2 vec=    -5.186775      2.752324      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00239569237277
                2s
                   +0 :               0.01718084265504
                3s
                   +0 :              -0.00798202928926
                2p
                   -1 :               0.00579084614130
                   +0 :               0.00537216737252
                   +1 :              -0.01397508745294
                3p
                   -1 :              -0.00425103011199
                   +0 :              -0.00433246699370
                   +1 :               0.00967318483749
                3d
                   -2 :               0.00064454180299
                   -1 :              -0.00028077262473
                   +0 :               0.00040493415259
                   +1 :               0.00043024425721
                   +2 :              -0.00044723527674
              3 vec=     2.593388      7.244203      4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00018432869457
                2s
                   +0 :               0.00105851560978
                3s
                   +0 :              -0.00030281808223
                2p
                   -1 :               0.00390003363999
                   +0 :              -0.00273631280563
                   +1 :               0.00410303836951
                3p
                   -1 :              -0.00137205494145
                   +0 :               0.00046917750433
                   +1 :              -0.00159408173513
                3d
                   -2 :               0.00002051003405
                   -1 :              -0.00010283347776
                   +0 :              -0.00004654927230
                   +1 :              -0.00007565862604
                   +2 :              -0.00002789423436
              4 vec=    -5.186775     -6.231434      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00009559095956
                2s
                   +0 :               0.00064624613994
                3s
                   +0 :               0.00002396991303
                2p
                   -1 :              -0.00034046246767
                   +0 :              -0.00091055090282
                   +1 :               0.00106822230486
                3p
                   -1 :              -0.00087058695510
                   +0 :               0.00004461748899
                   +1 :              -0.00157539008700
                3d
                   -2 :               0.00027696664846
                   -1 :               0.00006073325669
                   +0 :              -0.00011541770131
                   +1 :               0.00008354599608
                   +2 :              -0.00011162548931
              5 vec=    10.373550      2.752324      4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00005518644023
                2s
                   +0 :               0.00059639359306
                3s
                   +0 :              -0.00024685283157
                2p
                   -1 :              -0.00018765491714
                   +0 :              -0.00022672559026
                   +1 :               0.00079461970214
                3p
                   -1 :               0.00025464463020
                   +0 :               0.00019372081968
                   +1 :              -0.00052785150545
                3d
                   -2 :              -0.00000534675751
                   -1 :               0.00002245827255
                   +0 :               0.00002279729806
                   +1 :               0.00002120165439
                   +2 :              -0.00004212310353
              6 vec=     2.593388    -10.723313      4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00002392887133
                2s
                   +0 :              -0.00006643248232
                3s
                   +0 :               0.00006635467265
                2p
                   -1 :              -0.00010585233693
                   +0 :              -0.00010493613040
                   +1 :              -0.00012345806978
                3p
                   -1 :               0.00012019994680
                   +0 :              -0.00003915383067
                   +1 :               0.00010770876851
                3d
                   -2 :               0.00005139951293
                   -1 :               0.00002614017557
                   +0 :               0.00000098985266
                   +1 :               0.00001515012333
                   +2 :               0.00002471344727
              7 vec=    10.373550     -6.231434      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00000840699987
                2s
                   +0 :               0.00012458163772
                3s
                   +0 :              -0.00000613879838
                2p
                   -1 :               0.00000616687058
                   +0 :               0.00026866285944
                   +1 :              -0.00007061802113
                3p
                   -1 :               0.00003522032075
                   +0 :              -0.00014681953538
                   +1 :               0.00015624048121
                3d
                   -2 :               0.00002712121672
                   -1 :              -0.00001691871817
                   +0 :              -0.00000024684413
                   +1 :              -0.00002115901412
                   +2 :              -0.00000208577172
              8 vec=    -5.186775     11.736082      4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00002341081975
                2s
                   +0 :               0.00008870115922
                3s
                   +0 :               0.00018585300928
                2p
                   -1 :               0.00015102300866
                   +0 :               0.00011904865243
                   +1 :              -0.00004070153774
                3p
                   -1 :               0.00023642517734
                   +0 :              -0.00006100739324
                   +1 :              -0.00013883057316
                3d
                   -2 :              -0.00003499659906
                   -1 :              -0.00001372320138
                   +0 :              -0.00003104828929
                   +1 :               0.00001916824503
                   +2 :              -0.00001447631846
              9 vec=   -12.966938     -1.739555      4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00002541356163
                2s
                   +0 :               0.00041047541071
                3s
                   +0 :               0.00002751525724
                2p
                   -1 :              -0.00010189890683
                   +0 :              -0.00003116590046
                   +1 :              -0.00014829725163
                3p
                   -1 :               0.00004630026456
                   +0 :               0.00001892575578
                   +1 :              -0.00009452893276
                3d
                   -2 :              -0.00000668510877
                   -1 :              -0.00000390195520
                   +0 :              -0.00001511903286
                   +1 :              -0.00000655900720
                   +2 :               0.00002091106315
             10 vec=   -12.966938      7.244203      4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00002691590433
                2s
                   +0 :               0.00019451601139
                3s
                   +0 :              -0.00001928939297
                2p
                   -1 :               0.00018976836352
                   +0 :               0.00016264358018
                   +1 :              -0.00011544975242
                3p
                   -1 :              -0.00012208837222
                   +0 :              -0.00014729204672
                   +1 :               0.00001707408013
                3d
                   -2 :              -0.00001085595475
                   -1 :               0.00000523151494
                   +0 :              -0.00001748631244
                   +1 :               0.00001072897160
                   +2 :               0.00000577283866
             11 vec=    10.373550     11.736082      4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000197920725
                2s
                   +0 :               0.00000799631382
                3s
                   +0 :               0.00003174966103
                2p
                   -1 :               0.00007177941432
                   +0 :               0.00005910176832
                   +1 :               0.00007835354101
                3p
                   -1 :              -0.00003592477202
                   +0 :              -0.00003872957183
                   +1 :              -0.00001077422717
                3d
                   -2 :              -0.00000825111028
                   -1 :               0.00000027748149
                   +0 :               0.00000001629721
                   +1 :               0.00000487566005
                   +2 :               0.00000213786956
             12 vec=    -5.186775    -15.215192      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00001295909436
                2s
                   +0 :              -0.00007967962644
                3s
                   +0 :               0.00004319917823
                2p
                   -1 :               0.00006102365552
                   +0 :               0.00006023363437
                   +1 :               0.00007373086868
                3p
                   -1 :              -0.00003253009437
                   +0 :              -0.00006002407233
                   +1 :              -0.00003496452535
                3d
                   -2 :              -0.00000214976960
                   -1 :               0.00000152427328
                   +0 :              -0.00000727333254
                   +1 :              -0.00000252624292
                   +2 :              -0.00000232127968
             13 vec=     2.593388     16.227961      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00000584406385
                2s
                   +0 :               0.00004890397397
                3s
                   +0 :              -0.00001570348860
                2p
                   -1 :               0.00002646342160
                   +0 :              -0.00011443801788
                   +1 :               0.00005465531888
                3p
                   -1 :               0.00000908606778
                   +0 :               0.00009027226406
                   +1 :              -0.00004821177751
                3d
                   -2 :               0.00000086833785
                   -1 :               0.00000010824365
                   +0 :              -0.00000051339298
                   +1 :               0.00000049987910
                   +2 :              -0.00000006698060
             14 vec=   -12.966938    -10.723313      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000465661374
                2s
                   +0 :               0.00003449163745
                3s
                   +0 :              -0.00001277924862
                2p
                   -1 :               0.00006973743965
                   +0 :               0.00006922962050
                   +1 :              -0.00012060247988
                3p
                   -1 :              -0.00000709165300
                   +0 :              -0.00005141388961
                   +1 :               0.00004497614987
                3d
                   -2 :              -0.00000134545583
                   -1 :              -0.00000695684691
                   +0 :              -0.00000562844994
                   +1 :               0.00000067271791
                   +2 :               0.00000380895825
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 24)  npairs=  14
              1 vec=     0.209805      3.115717      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00202642942696
                2s
                   +0 :               0.05824204232121
                3s
                   +0 :              -0.00268542651494
                2p
                   -1 :               0.02349250291343
                   +0 :               0.02329216087947
                   +1 :              -0.00044946230088
                3p
                   -1 :               0.00282193534544
                   +0 :               0.00318488291925
                   +1 :               0.00321527793649
                3d
                   -2 :               0.00012731215524
                   -1 :               0.00311250329558
                   +0 :               0.00148079053576
                   +1 :              -0.00069044942141
                   +2 :              -0.00120841211618
              2 vec=     0.209805     -5.868041      4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00008305396999
                2s
                   +0 :              -0.00168705006104
                3s
                   +0 :               0.00054602657001
                2p
                   -1 :               0.00022704166656
                   +0 :               0.00083620543532
                   +1 :              -0.00097625475548
                3p
                   -1 :              -0.00105583021502
                   +0 :              -0.00085098752261
                   +1 :               0.00094656840052
                3d
                   -2 :              -0.00000244483080
                   -1 :               0.00018792413180
                   +0 :              -0.00032637811074
                   +1 :               0.00002896142358
                   +2 :               0.00004855810523
              3 vec=    -7.570358     -1.376162      4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00011486847038
                2s
                   +0 :              -0.00180583988783
                3s
                   +0 :               0.00052716362229
                2p
                   -1 :               0.00216236746868
                   +0 :              -0.00346904131429
                   +1 :              -0.00005836669378
                3p
                   -1 :              -0.00131081148894
                   +0 :               0.00145053405222
                   +1 :               0.00017352605185
                3d
                   -2 :              -0.00006471367015
                   -1 :              -0.00004643631833
                   +0 :              -0.00012979994604
                   +1 :               0.00011506832436
                   +2 :               0.00015289170864
              4 vec=     7.989968     -1.376162      4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00013138571375
                2s
                   +0 :              -0.00086496900469
                3s
                   +0 :               0.00054359175968
                2p
                   -1 :              -0.00058504673263
                   +0 :              -0.00112615907127
                   +1 :               0.00226560534869
                3p
                   -1 :               0.00120271577158
                   +0 :               0.00004091269660
                   +1 :              -0.00121376102305
                3d
                   -2 :               0.00004934555842
                   -1 :              -0.00001095110462
                   +0 :               0.00005047746361
                   +1 :              -0.00007140748782
                   +2 :               0.00001082277239
              5 vec=    -7.570358      7.607596      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00016929690238
                2s
                   +0 :              -0.00088403558365
                3s
                   +0 :               0.00063077651365
                2p
                   -1 :              -0.00065748320832
                   +0 :               0.00008900433246
                   +1 :              -0.00006916901524
                3p
                   -1 :               0.00062688925112
                   +0 :              -0.00022172655539
                   +1 :               0.00001855618772
                3d
                   -2 :              -0.00005582229109
                   -1 :              -0.00002204278378
                   +0 :              -0.00006270310724
                   +1 :               0.00001727603823
                   +2 :              -0.00005336618862
              6 vec=     7.989968      7.607596      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00004389358239
                2s
                   +0 :               0.00044183533307
                3s
                   +0 :              -0.00011964394233
                2p
                   -1 :               0.00007391649443
                   +0 :              -0.00004865105571
                   +1 :               0.00044505110656
                3p
                   -1 :              -0.00003347245012
                   +0 :               0.00002329948535
                   +1 :              -0.00019599327382
                3d
                   -2 :              -0.00000538815059
                   -1 :              -0.00001356947253
                   +0 :              -0.00000673041239
                   +1 :               0.00001905501650
                   +2 :               0.00000341709884
              7 vec=     0.209805     12.099475      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00002001942132
                2s
                   +0 :              -0.00000178968658
                3s
                   +0 :               0.00013094346818
                2p
                   -1 :              -0.00016552076730
                   +0 :               0.00012065108024
                   +1 :              -0.00008594548662
                3p
                   -1 :               0.00016244343099
                   +0 :               0.00000009706838
                   +1 :               0.00002976490697
                3d
                   -2 :               0.00001851752922
                   -1 :               0.00000375074963
                   +0 :              -0.00003494125628
                   +1 :              -0.00002487354084
                   +2 :               0.00001662358752
              8 vec=    -7.570358    -10.359920      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00015797695589
                2s
                   +0 :               0.00143032572543
                3s
                   +0 :              -0.00037713817259
                2p
                   -1 :              -0.00096492206088
                   +0 :               0.00002578939385
                   +1 :              -0.00030329885098
                3p
                   -1 :               0.00042870574422
                   +0 :               0.00000682078629
                   +1 :               0.00006952574991
                3d
                   -2 :               0.00003952216261
                   -1 :              -0.00002566428026
                   +0 :              -0.00002048548683
                   +1 :               0.00000203330592
                   +2 :               0.00001341198792
              9 vec=     7.989968    -10.359920      4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00004870411262
                2s
                   +0 :              -0.00006626070707
                3s
                   +0 :               0.00020830741053
                2p
                   -1 :              -0.00030920323455
                   +0 :               0.00002301706322
                   +1 :               0.00022431752357
                3p
                   -1 :              -0.00002215220931
                   +0 :              -0.00003827899292
                   +1 :              -0.00003135054965
                3d
                   -2 :              -0.00001055803492
                   -1 :               0.00001287985408
                   +0 :              -0.00000059512224
                   +1 :              -0.00001939169270
                   +2 :              -0.00001465721917
             10 vec=     0.209805    -14.851799      4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00002071210717
                2s
                   +0 :              -0.00009387572557
                3s
                   +0 :               0.00007069777382
                2p
                   -1 :               0.00004741918685
                   +0 :               0.00004655861004
                   +1 :               0.00005819660915
                3p
                   -1 :              -0.00005910539816
                   +0 :              -0.00006696171770
                   +1 :              -0.00007561394835
                3d
                   -2 :               0.00000253351983
                   -1 :               0.00000105906486
                   +0 :              -0.00000558588487
                   +1 :              -0.00000110533332
                   +2 :              -0.00000449551966
             11 vec=   -15.350520      3.115717      4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00002276094549
                2s
                   +0 :               0.00017306675446
                3s
                   +0 :              -0.00004127620320
                2p
                   -1 :               0.00007299150044
                   +0 :              -0.00007230564753
                   +1 :               0.00006800873429
                3p
                   -1 :              -0.00005096332944
                   +0 :               0.00005804788898
                   +1 :              -0.00011812011386
                3d
                   -2 :               0.00002002916613
                   -1 :               0.00000507321650
                   +0 :              -0.00000399344737
                   +1 :              -0.00002119659958
                   +2 :               0.00001129811098
             12 vec=    15.770130      3.115717      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00001279488346
                2s
                   +0 :              -0.00007302205593
                3s
                   +0 :               0.00004979203330
                2p
                   -1 :              -0.00006356263127
                   +0 :              -0.00004695589125
                   +1 :              -0.00008305672637
                3p
                   -1 :               0.00005454537881
                   +0 :               0.00002757570502
                   +1 :               0.00010701489133
                3d
                   -2 :               0.00000260125108
                   -1 :              -0.00000029154174
                   +0 :              -0.00000534912653
                   +1 :               0.00000141789295
                   +2 :               0.00000633421368
             13 vec=   -15.350520     -5.868041      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00000947262219
                2s
                   +0 :               0.00007001280548
                3s
                   +0 :              -0.00002704722354
                2p
                   -1 :              -0.00012527988024
                   +0 :               0.00010971025190
                   +1 :               0.00005287617368
                3p
                   -1 :               0.00005571982956
                   +0 :              -0.00007338685076
                   +1 :              -0.00006261787777
                3d
                   -2 :              -0.00000382087412
                   -1 :               0.00000908439962
                   +0 :              -0.00000750396979
                   +1 :               0.00000079965797
                   +2 :               0.00000477542487
             14 vec=    15.770130     -5.868041      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000447759230
                2s
                   +0 :               0.00003322541815
                3s
                   +0 :              -0.00000783845324
                2p
                   -1 :              -0.00003048801124
                   +0 :              -0.00006736748870
                   +1 :               0.00005993805954
                3p
                   -1 :               0.00002351701978
                   +0 :               0.00003603175995
                   +1 :              -0.00001458898940
                3d
                   -2 :              -0.00000031137879
                   -1 :              -0.00000192231579
                   +0 :               0.00000058859081
                   +1 :              -0.00000108571401
                   +2 :              -0.00000162657960
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 25)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00016641331879
                2s
                   +0 :              -0.00266346754482
                3s
                   +0 :              -0.00009534330513
                2p
                   -1 :               0.02789863920467
                   +0 :               0.87572442065506
                   +1 :               0.01639111145280
                3p
                   -1 :              -0.01128117625213
                   +0 :              -0.04028356124159
                   +1 :              -0.00692912823883
                3d
                   -2 :              -0.00118725139069
                   -1 :               0.00214465486646
                   +0 :              -0.00023292432155
                   +1 :              -0.00383125175818
                   +2 :              -0.00193783086633
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00007247497547
                2s
                   +0 :               0.00032786129167
                3s
                   +0 :              -0.00022595260559
                2p
                   -1 :              -0.00060818577582
                   +0 :              -0.00029002832870
                   +1 :              -0.00069088230424
                3p
                   -1 :               0.00061615371556
                   +0 :               0.00029832570451
                   +1 :               0.00064647129398
                3d
                   -2 :               0.00002833971884
                   -1 :              -0.00007691904702
                   +0 :              -0.00000154286979
                   +1 :              -0.00005134720634
                   +2 :               0.00008187876485
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000031121795
                2s
                   +0 :               0.00002715788561
                3s
                   +0 :               0.00004026893376
                2p
                   -1 :               0.00159071194207
                   +0 :              -0.00043525413029
                   +1 :               0.00069628216328
                3p
                   -1 :              -0.00171294549134
                   +0 :               0.00080193503840
                   +1 :              -0.00076450956443
                3d
                   -2 :               0.00003669617935
                   -1 :               0.00010721572747
                   +0 :               0.00001067579734
                   +1 :              -0.00016432926405
                   +2 :               0.00005397549523
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00029056795292
                2s
                   +0 :              -0.00205235735346
                3s
                   +0 :               0.00123748760383
                2p
                   -1 :               0.00194216874570
                   +0 :               0.00077131080050
                   +1 :              -0.00014141055770
                3p
                   -1 :              -0.00188626220358
                   +0 :              -0.00057149974772
                   +1 :              -0.00012375829688
                3d
                   -2 :              -0.00000095247960
                   -1 :               0.00015020608276
                   +0 :              -0.00002086561822
                   +1 :              -0.00007436960574
                   +2 :              -0.00023105747910
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00003515928282
                2s
                   +0 :               0.00003073368220
                3s
                   +0 :               0.00015801496211
                2p
                   -1 :              -0.00073601749436
                   +0 :              -0.00042245073519
                   +1 :              -0.00016306514300
                3p
                   -1 :               0.00078621590506
                   +0 :               0.00056984621712
                   +1 :               0.00021474586581
                3d
                   -2 :               0.00005649933353
                   -1 :               0.00011180833630
                   +0 :              -0.00000537309538
                   +1 :               0.00005036919696
                   +2 :               0.00005782767488
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000124136014
                2s
                   +0 :               0.00001461240815
                3s
                   +0 :              -0.00002558995785
                2p
                   -1 :              -0.00009410809253
                   +0 :               0.00085003652763
                   +1 :              -0.00007079959924
                3p
                   -1 :              -0.00002849408219
                   +0 :              -0.00048128993045
                   +1 :              -0.00003462679220
                3d
                   -2 :              -0.00000493230599
                   -1 :              -0.00001228073278
                   +0 :               0.00001855908252
                   +1 :               0.00001303326613
                   +2 :              -0.00003203012644
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00026170294425
                2s
                   +0 :               0.00193425990816
                3s
                   +0 :              -0.00109216542751
                2p
                   -1 :               0.00051597152764
                   +0 :               0.00091571352983
                   +1 :               0.00143394130290
                3p
                   -1 :              -0.00069454260837
                   +0 :              -0.00081446378657
                   +1 :              -0.00119211682577
                3d
                   -2 :              -0.00015573981501
                   -1 :              -0.00003175958197
                   +0 :               0.00001333749234
                   +1 :              -0.00020274596033
                   +2 :              -0.00010816345208
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000186087943
                2s
                   +0 :              -0.00002575137492
                3s
                   +0 :              -0.00001077962982
                2p
                   -1 :               0.00004650258730
                   +0 :              -0.00000064653102
                   +1 :              -0.00016242441461
                3p
                   -1 :              -0.00004720773494
                   +0 :              -0.00002263419032
                   +1 :               0.00023317552195
                3d
                   -2 :              -0.00000023413729
                   -1 :              -0.00001128471599
                   +0 :               0.00001163185904
                   +1 :              -0.00000450561336
                   +2 :              -0.00002110703738
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001385160698
                2s
                   +0 :              -0.00011478640678
                3s
                   +0 :               0.00000614787133
                2p
                   -1 :              -0.00004590969373
                   +0 :              -0.00015849918409
                   +1 :               0.00004475958737
                3p
                   -1 :               0.00014676338866
                   +0 :               0.00004876367505
                   +1 :               0.00005361503643
                3d
                   -2 :              -0.00002306770884
                   -1 :               0.00000023505375
                   +0 :               0.00001916527153
                   +1 :              -0.00000573380021
                   +2 :               0.00001826624262
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001670786710
                2s
                   +0 :               0.00014927522403
                3s
                   +0 :              -0.00001992018013
                2p
                   -1 :              -0.00013852353734
                   +0 :               0.00001911629351
                   +1 :               0.00010358950418
                3p
                   -1 :               0.00019667176916
                   +0 :              -0.00002891034780
                   +1 :              -0.00014214534220
                3d
                   -2 :              -0.00001344480501
                   -1 :               0.00000990959094
                   +0 :              -0.00001350261274
                   +1 :               0.00000728397024
                   +2 :              -0.00001086847339
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003629102753
                2s
                   +0 :              -0.00023446441972
                3s
                   +0 :               0.00008113419322
                2p
                   -1 :               0.00000991138124
                   +0 :               0.00009451328730
                   +1 :              -0.00004563587186
                3p
                   -1 :               0.00005145855103
                   +0 :              -0.00010498415049
                   +1 :               0.00000280696280
                3d
                   -2 :               0.00000460773107
                   -1 :               0.00000765399567
                   +0 :               0.00001160095776
                   +1 :              -0.00000592837444
                   +2 :               0.00000586534481
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002294971950
                2s
                   +0 :               0.00023042964708
                3s
                   +0 :              -0.00001982836687
                2p
                   -1 :               0.00005808383593
                   +0 :              -0.00011326297692
                   +1 :              -0.00004666912668
                3p
                   -1 :               0.00010288779028
                   +0 :               0.00001960172944
                   +1 :               0.00009621129937
                3d
                   -2 :               0.00002675218783
                   -1 :               0.00000501896490
                   +0 :              -0.00001195855875
                   +1 :              -0.00000242104252
                   +2 :              -0.00001060920299
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002849379255
                2s
                   +0 :               0.00018652345715
                3s
                   +0 :              -0.00006654863688
                2p
                   -1 :              -0.00003041150818
                   +0 :               0.00009168287199
                   +1 :               0.00003228561895
                3p
                   -1 :               0.00001594216684
                   +0 :              -0.00010594325587
                   +1 :               0.00002915271535
                3d
                   -2 :               0.00000057743716
                   -1 :               0.00000063930017
                   +0 :              -0.00001129771472
                   +1 :              -0.00000739783585
                   +2 :               0.00000710249256
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000717581877
                2s
                   +0 :               0.00004155163291
                3s
                   +0 :              -0.00002216014294
                2p
                   -1 :               0.00001399383920
                   +0 :               0.00000061012255
                   +1 :               0.00000356070063
                3p
                   -1 :              -0.00001214937290
                   +0 :              -0.00000455843686
                   +1 :               0.00000582594434
                3d
                   -2 :              -0.00000155072603
                   -1 :               0.00000233335347
                   +0 :               0.00000390166030
                   +1 :              -0.00000057416677
                   +2 :              -0.00000272461066
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000338650757
                2s
                   +0 :               0.00003898700360
                3s
                   +0 :              -0.00000646888856
                2p
                   -1 :               0.00000084323130
                   +0 :               0.00000696830434
                   +1 :              -0.00002532616626
                3p
                   -1 :               0.00000786463174
                   +0 :              -0.00001717902135
                   +1 :               0.00001765842109
                3d
                   -2 :              -0.00000149730485
                   -1 :               0.00000043173007
                   +0 :              -0.00000035400122
                   +1 :               0.00000051944486
                   +2 :              -0.00000395422985
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000378355492
                2s
                   +0 :               0.00002250516705
                3s
                   +0 :              -0.00001051812477
                2p
                   -1 :              -0.00003626804773
                   +0 :              -0.00003291480121
                   +1 :               0.00001294677355
                3p
                   -1 :               0.00003734783361
                   +0 :               0.00001415910658
                   +1 :              -0.00000909351277
                3d
                   -2 :              -0.00000084361939
                   -1 :               0.00000022349546
                   +0 :               0.00000026390537
                   +1 :               0.00000043174615
                   +2 :               0.00000221066540
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000378784268
                2s
                   +0 :              -0.00000179530925
                3s
                   +0 :               0.00001714828439
                2p
                   -1 :               0.00000927146340
                   +0 :              -0.00000038459308
                   +1 :               0.00002843121493
                3p
                   -1 :               0.00000642049470
                   +0 :              -0.00001483912932
                   +1 :              -0.00002466698818
                3d
                   -2 :              -0.00000132241723
                   -1 :              -0.00000184286996
                   +0 :              -0.00000285661397
                   +1 :              -0.00000234004242
                   +2 :              -0.00000311764485
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000079114371
                2s
                   +0 :               0.00000167665725
                3s
                   +0 :              -0.00000416618879
                2p
                   -1 :               0.00002433885109
                   +0 :               0.00004827943572
                   +1 :               0.00000359307784
                3p
                   -1 :              -0.00000876298806
                   +0 :              -0.00004951769037
                   +1 :              -0.00000093083089
                3d
                   -2 :              -0.00000016895896
                   -1 :               0.00000114097255
                   +0 :               0.00000038393709
                   +1 :              -0.00000625726131
                   +2 :               0.00000043513989
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000315276469
                2s
                   +0 :              -0.00001096753498
                3s
                   +0 :               0.00001124916203
                2p
                   -1 :               0.00000723023602
                   +0 :              -0.00001451975626
                   +1 :              -0.00003711411707
                3p
                   -1 :              -0.00000391163981
                   +0 :               0.00000623189457
                   +1 :               0.00004394408511
                3d
                   -2 :               0.00000070137674
                   -1 :              -0.00000143190886
                   +0 :               0.00000003657730
                   +1 :               0.00000069586448
                   +2 :               0.00000298760085
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 26)  npairs=  12
              1 vec=    -4.767165     -0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00028986615688
                2s
                   +0 :              -0.00335062864011
                3s
                   +0 :               0.00042841315554
                2p
                   -1 :              -0.00101920349118
                   +0 :              -0.01043298309080
                   +1 :              -0.00151010427423
                3p
                   -1 :               0.00117972283703
                   +0 :              -0.00367218592631
                   +1 :               0.00318914165789
                3d
                   -2 :               0.00001654074687
                   -1 :               0.00013644211039
                   +0 :              -0.00000787364504
                   +1 :               0.00206762950375
                   +2 :              -0.00042401553935
              2 vec=     3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00146006494200
                2s
                   +0 :              -0.00824594440125
                3s
                   +0 :               0.00394806414393
                2p
                   -1 :               0.00413273677280
                   +0 :              -0.00631918611239
                   +1 :              -0.00801473580923
                3p
                   -1 :              -0.00281100124878
                   +0 :               0.00151620075502
                   +1 :               0.00593584498602
                3d
                   -2 :              -0.00037889451906
                   -1 :               0.00059623062223
                   +0 :              -0.00046866032454
                   +1 :              -0.00073965979624
                   +2 :               0.00009432185469
              3 vec=     3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00181390512008
                2s
                   +0 :               0.01169678225362
                3s
                   +0 :              -0.00532096168883
                2p
                   -1 :               0.00692041834294
                   +0 :              -0.00016572425301
                   +1 :               0.00373915676181
                3p
                   -1 :              -0.00405660725514
                   +0 :              -0.00377671162402
                   +1 :              -0.00204047071176
                3d
                   -2 :               0.00002285199882
                   -1 :              -0.00060423074703
                   +0 :               0.00023258380964
                   +1 :              -0.00009467641244
                   +2 :               0.00036585196648
              4 vec=    -4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00010222111826
                2s
                   +0 :              -0.00009049760816
                3s
                   +0 :              -0.00039050035993
                2p
                   -1 :               0.00121900000333
                   +0 :              -0.00003062479120
                   +1 :               0.00094882725216
                3p
                   -1 :              -0.00046427783345
                   +0 :              -0.00038163153085
                   +1 :              -0.00044374988018
                3d
                   -2 :               0.00003323124704
                   -1 :               0.00011329543454
                   +0 :              -0.00011277602378
                   +1 :               0.00000223634199
                   +2 :               0.00005412549012
              5 vec=    -4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00001880346886
                2s
                   +0 :               0.00028981240873
                3s
                   +0 :               0.00009825631397
                2p
                   -1 :               0.00050598594582
                   +0 :              -0.00043106826389
                   +1 :              -0.00130296531289
                3p
                   -1 :              -0.00013005328092
                   +0 :              -0.00004803360072
                   +1 :               0.00098508890860
                3d
                   -2 :               0.00008711880309
                   -1 :              -0.00001445902041
                   +0 :              -0.00002668219146
                   +1 :               0.00000714087408
                   +2 :              -0.00002533934780
              6 vec=    10.793160      0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00018460805887
                2s
                   +0 :              -0.00091682381610
                3s
                   +0 :               0.00057106482742
                2p
                   -1 :              -0.00011467804613
                   +0 :               0.00008511851685
                   +1 :              -0.00070516059395
                3p
                   -1 :               0.00003942707577
                   +0 :              -0.00036857709198
                   +1 :               0.00073310823324
                3d
                   -2 :               0.00003265358269
                   -1 :              -0.00001922888327
                   +0 :              -0.00002742813723
                   +1 :              -0.00004554466632
                   +2 :               0.00007417390556
              7 vec=   -12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00004818497957
                2s
                   +0 :              -0.00026512275533
                3s
                   +0 :               0.00016741268287
                2p
                   -1 :               0.00026520211975
                   +0 :              -0.00023906480555
                   +1 :               0.00030771738299
                3p
                   -1 :              -0.00021095140688
                   +0 :               0.00009230415462
                   +1 :              -0.00026271447099
                3d
                   -2 :               0.00002399210269
                   -1 :              -0.00000124575601
                   +0 :               0.00001330801679
                   +1 :              -0.00000724571884
                   +2 :               0.00000713474011
              8 vec=   -12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00002078042560
                2s
                   +0 :              -0.00008633761156
                3s
                   +0 :               0.00010575243916
                2p
                   -1 :              -0.00016866098896
                   +0 :              -0.00047349564534
                   +1 :              -0.00021140793785
                3p
                   -1 :               0.00012065453895
                   +0 :               0.00032803060911
                   +1 :               0.00010413657002
                3d
                   -2 :              -0.00000651101266
                   -1 :              -0.00002063591651
                   +0 :              -0.00001339770881
                   +1 :               0.00000310099644
                   +2 :               0.00000992478146
              9 vec=     3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000747681551
                2s
                   +0 :               0.00002879330646
                3s
                   +0 :              -0.00003303948915
                2p
                   -1 :               0.00011182706236
                   +0 :               0.00003428926912
                   +1 :               0.00022844691391
                3p
                   -1 :              -0.00007588238280
                   +0 :              -0.00005996457982
                   +1 :              -0.00020850413020
                3d
                   -2 :               0.00001411247919
                   -1 :              -0.00000145597756
                   +0 :               0.00001179605172
                   +1 :              -0.00000838897547
                   +2 :              -0.00001087945297
             10 vec=     3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00005396380119
                2s
                   +0 :               0.00033583924773
                3s
                   +0 :              -0.00013662018252
                2p
                   -1 :               0.00034187912440
                   +0 :               0.00014563118344
                   +1 :              -0.00000575955095
                3p
                   -1 :              -0.00023906977141
                   +0 :              -0.00014799355855
                   +1 :              -0.00000531279408
                3d
                   -2 :              -0.00001127963717
                   -1 :               0.00000014399608
                   +0 :               0.00000341352627
                   +1 :              -0.00000430265645
                   +2 :              -0.00000206147355
             11 vec=    10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00001359182610
                2s
                   +0 :              -0.00005395813623
                3s
                   +0 :               0.00002426050356
                2p
                   -1 :              -0.00003546592163
                   +0 :               0.00008139247148
                   +1 :              -0.00002465465536
                3p
                   -1 :               0.00000875977800
                   +0 :              -0.00010749425300
                   +1 :               0.00002538454778
                3d
                   -2 :               0.00000694810411
                   -1 :              -0.00000649538453
                   +0 :               0.00000695524784
                   +1 :              -0.00000581194440
                   +2 :              -0.00000163590464
             12 vec=    10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00002243759288
                2s
                   +0 :              -0.00012052219568
                3s
                   +0 :               0.00010370833922
                2p
                   -1 :              -0.00025480918931
                   +0 :              -0.00007028695189
                   +1 :               0.00013043678400
                3p
                   -1 :               0.00019029877581
                   +0 :               0.00004875384526
                   +1 :              -0.00007269366178
                3d
                   -2 :               0.00000107778842
                   -1 :              -0.00001105837038
                   +0 :              -0.00001908012227
                   +1 :               0.00001093250248
                   +2 :              -0.00000454625587
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 27)  npairs=  12
              1 vec=    -2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00034828103239
                2s
                   +0 :               0.00361772532018
                3s
                   +0 :              -0.00060460609100
                2p
                   -1 :              -0.00213360749534
                   +0 :              -0.01070869206241
                   +1 :              -0.00032506028160
                3p
                   -1 :               0.00330761398835
                   +0 :              -0.00345586396581
                   +1 :              -0.00044114968767
                3d
                   -2 :              -0.00030689330512
                   -1 :              -0.00188950549150
                   +0 :               0.00003602118755
                   +1 :               0.00089700125324
                   +2 :              -0.00016197326491
              2 vec=    -2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00186866846881
                2s
                   +0 :              -0.01223708785755
                3s
                   +0 :               0.00538294027928
                2p
                   -1 :               0.00711694890928
                   +0 :              -0.00018719654762
                   +1 :               0.00447047569633
                3p
                   -1 :              -0.00397799209353
                   +0 :              -0.00374641320623
                   +1 :              -0.00241090323343
                3d
                   -2 :               0.00025096872995
                   -1 :               0.00044360488710
                   +0 :              -0.00023395772122
                   +1 :               0.00049208882032
                   +2 :               0.00017778430624
              3 vec=     5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00150458742330
                2s
                   +0 :               0.00839723314023
                3s
                   +0 :              -0.00424394831156
                2p
                   -1 :              -0.00411605464289
                   +0 :              -0.00579646378002
                   +1 :               0.00770340834808
                3p
                   -1 :               0.00318273260055
                   +0 :               0.00111518686876
                   +1 :              -0.00575374542757
                3d
                   -2 :               0.00030992455422
                   -1 :               0.00036546012146
                   +0 :               0.00041907577363
                   +1 :              -0.00079906170662
                   +2 :              -0.00031909122436
              4 vec=   -10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00000893426899
                2s
                   +0 :              -0.00042778891295
                3s
                   +0 :               0.00003018385757
                2p
                   -1 :              -0.00072405057125
                   +0 :              -0.00027253924365
                   +1 :               0.00139111833547
                3p
                   -1 :               0.00071148524648
                   +0 :              -0.00018178619553
                   +1 :              -0.00070218043676
                3d
                   -2 :              -0.00007047281986
                   -1 :              -0.00000548403472
                   +0 :               0.00005847177677
                   +1 :               0.00002145092563
                   +2 :               0.00004878601530
              5 vec=     5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00003061148579
                2s
                   +0 :               0.00057445500261
                3s
                   +0 :               0.00017627896715
                2p
                   -1 :               0.00118829501700
                   +0 :               0.00021702865789
                   +1 :               0.00058761386050
                3p
                   -1 :              -0.00052985940904
                   +0 :              -0.00056012932193
                   +1 :              -0.00023559232506
                3d
                   -2 :               0.00002794504842
                   -1 :              -0.00008283734194
                   +0 :               0.00010566867651
                   +1 :              -0.00010074301394
                   +2 :               0.00006040893642
              6 vec=     5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00017521298726
                2s
                   +0 :               0.00078930180716
                3s
                   +0 :              -0.00054501889515
                2p
                   -1 :              -0.00069408184173
                   +0 :               0.00031892250413
                   +1 :               0.00046667709862
                3p
                   -1 :               0.00073189863598
                   +0 :              -0.00057934245990
                   +1 :              -0.00051948562578
                3d
                   -2 :               0.00004811152269
                   -1 :               0.00004484142360
                   +0 :               0.00002330465652
                   +1 :               0.00000790167317
                   +2 :               0.00006224275782
              7 vec=   -10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00000523216568
                2s
                   +0 :               0.00005551292154
                3s
                   +0 :              -0.00001181812862
                2p
                   -1 :              -0.00036005442048
                   +0 :              -0.00037740416263
                   +1 :               0.00006885985007
                3p
                   -1 :               0.00025144269125
                   +0 :               0.00022965496241
                   +1 :              -0.00006865869609
                3d
                   -2 :               0.00000647776389
                   -1 :               0.00001287018487
                   +0 :               0.00001366861200
                   +1 :               0.00001676207257
                   +2 :              -0.00000367064022
              8 vec=    -2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00006769196774
                2s
                   +0 :               0.00047011640777
                3s
                   +0 :              -0.00020935419673
                2p
                   -1 :               0.00051804945090
                   +0 :              -0.00019507410206
                   +1 :               0.00006551787444
                3p
                   -1 :              -0.00037154796581
                   +0 :               0.00007602853388
                   +1 :              -0.00003510317048
                3d
                   -2 :              -0.00000479791255
                   -1 :               0.00001223420971
                   +0 :              -0.00001428300714
                   +1 :              -0.00000563468628
                   +2 :               0.00002054647969
              9 vec=   -10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00005016568305
                2s
                   +0 :              -0.00024720542976
                3s
                   +0 :               0.00012569348349
                2p
                   -1 :               0.00018794235773
                   +0 :               0.00006688307363
                   +1 :               0.00026045892762
                3p
                   -1 :              -0.00015085364533
                   +0 :              -0.00011055522890
                   +1 :              -0.00019718620547
                3d
                   -2 :               0.00000800029867
                   -1 :               0.00000505228546
                   +0 :              -0.00000940162714
                   +1 :              -0.00000194965752
                   +2 :              -0.00001155877747
             10 vec=    13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000054142858
                2s
                   +0 :               0.00001987865488
                3s
                   +0 :               0.00000991374137
                2p
                   -1 :               0.00012616324550
                   +0 :               0.00013411376704
                   +1 :              -0.00002007807509
                3p
                   -1 :              -0.00011710176716
                   +0 :              -0.00011712721825
                   +1 :               0.00003668827819
                3d
                   -2 :              -0.00000796838126
                   -1 :               0.00000535293257
                   +0 :              -0.00001733117109
                   +1 :              -0.00000194734039
                   +2 :               0.00000131032100
             11 vec=    -2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00003747580093
                2s
                   +0 :               0.00024866957418
                3s
                   +0 :              -0.00014663545680
                2p
                   -1 :              -0.00016991698346
                   +0 :              -0.00007791720279
                   +1 :              -0.00029445735543
                3p
                   -1 :               0.00014958458707
                   +0 :               0.00004942532560
                   +1 :               0.00021540035654
                3d
                   -2 :              -0.00000787227030
                   -1 :              -0.00000489942547
                   +0 :               0.00002185761962
                   +1 :               0.00001184396964
                   +2 :               0.00000329715052
             12 vec=    13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00000418518838
                2s
                   +0 :              -0.00002848031271
                3s
                   +0 :               0.00000183601371
                2p
                   -1 :               0.00001780857907
                   +0 :               0.00002926759982
                   +1 :              -0.00004424238314
                3p
                   -1 :              -0.00001638722031
                   +0 :              -0.00006184822985
                   +1 :              -0.00000182292934
                3d
                   -2 :              -0.00000949756665
                   -1 :               0.00000811478623
                   +0 :              -0.00000918830899
                   +1 :               0.00000250275098
                   +2 :               0.00000268444960
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 28)  npairs=  18
              1 vec=     3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00006727745449
                2s
                   +0 :               0.00012222338597
                3s
                   +0 :              -0.00022262069046
                2p
                   -1 :              -0.00026484089675
                   +0 :               0.00009906998139
                   +1 :               0.00038296874176
                3p
                   -1 :               0.00024686416003
                   +0 :              -0.00005721844809
                   +1 :              -0.00028435950176
                3d
                   -2 :               0.00000783179989
                   -1 :               0.00000166848160
                   +0 :               0.00001762308850
                   +1 :               0.00003690221437
                   +2 :              -0.00004295604150
              2 vec=     3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00003072725162
                2s
                   +0 :               0.00058360105546
                3s
                   +0 :              -0.00008602715661
                2p
                   -1 :              -0.00002922336058
                   +0 :              -0.00013064671117
                   +1 :              -0.00012996777971
                3p
                   -1 :               0.00006417653624
                   +0 :               0.00024979388910
                   +1 :               0.00014767227666
                3d
                   -2 :              -0.00003620287019
                   -1 :              -0.00001771971522
                   +0 :              -0.00000518122769
                   +1 :              -0.00001283160352
                   +2 :               0.00003404136105
              3 vec=    -4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00011329036209
                2s
                   +0 :              -0.00138666076020
                3s
                   +0 :               0.00017544197225
                2p
                   -1 :              -0.00008855947341
                   +0 :               0.00083924421194
                   +1 :              -0.00007491516530
                3p
                   -1 :               0.00004713428287
                   +0 :               0.00000965103930
                   +1 :               0.00019417746638
                3d
                   -2 :              -0.00002105683804
                   -1 :              -0.00001035740770
                   +0 :              -0.00000357908949
                   +1 :              -0.00002015906759
                   +2 :               0.00002067523634
              4 vec=    -4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00011324212166
                2s
                   +0 :               0.00144586573632
                3s
                   +0 :              -0.00009887965336
                2p
                   -1 :              -0.00015811866014
                   +0 :               0.00082312266570
                   +1 :              -0.00019995914209
                3p
                   -1 :               0.00018210349488
                   +0 :               0.00005041677103
                   +1 :               0.00000598874538
                3d
                   -2 :               0.00002575352782
                   -1 :               0.00004071346282
                   +0 :               0.00003449318137
                   +1 :              -0.00000665211487
                   +2 :              -0.00002766704170
              5 vec=    -4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005400031496
                2s
                   +0 :              -0.00053742682852
                3s
                   +0 :               0.00011952425647
                2p
                   -1 :              -0.00014835974935
                   +0 :               0.00029178901704
                   +1 :               0.00049339283527
                3p
                   -1 :               0.00015329443155
                   +0 :              -0.00003579637044
                   +1 :              -0.00012035366921
                3d
                   -2 :              -0.00001704508162
                   -1 :              -0.00001232486607
                   +0 :               0.00001523367480
                   +1 :              -0.00002523481574
                   +2 :              -0.00001515040483
              6 vec=    -4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000647935310
                2s
                   +0 :               0.00062911854344
                3s
                   +0 :               0.00003622377329
                2p
                   -1 :              -0.00010925591217
                   +0 :               0.00076428478408
                   +1 :              -0.00074107924175
                3p
                   -1 :              -0.00000568584053
                   +0 :              -0.00018208243946
                   +1 :              -0.00002883706822
                3d
                   -2 :               0.00003547684395
                   -1 :              -0.00000738204928
                   +0 :               0.00001630722990
                   +1 :              -0.00006547888331
                   +2 :               0.00001574950950
              7 vec=     3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00010564316868
                2s
                   +0 :              -0.00158663468866
                3s
                   +0 :               0.00017195896680
                2p
                   -1 :              -0.00077267442716
                   +0 :               0.00110673970027
                   +1 :               0.00005268164287
                3p
                   -1 :               0.00007277682464
                   +0 :              -0.00016676467733
                   +1 :               0.00006358959051
                3d
                   -2 :               0.00001470567882
                   -1 :               0.00004765391633
                   +0 :              -0.00002565139432
                   +1 :              -0.00001171272139
                   +2 :               0.00004503329437
              8 vec=     3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000065364745
                2s
                   +0 :               0.00020765141496
                3s
                   +0 :               0.00002172719671
                2p
                   -1 :               0.00025926878633
                   +0 :              -0.00011854013256
                   +1 :               0.00019180156782
                3p
                   -1 :              -0.00006662696064
                   +0 :               0.00019296257728
                   +1 :              -0.00025178151095
                3d
                   -2 :              -0.00001216917211
                   -1 :               0.00001841899254
                   +0 :               0.00000164355363
                   +1 :              -0.00004005582159
                   +2 :               0.00000035875634
              9 vec=     3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000233651270
                2s
                   +0 :              -0.00006277843312
                3s
                   +0 :              -0.00000239707416
                2p
                   -1 :               0.00004577499997
                   +0 :               0.00004887048333
                   +1 :               0.00016978843869
                3p
                   -1 :               0.00002438220127
                   +0 :              -0.00001928573341
                   +1 :              -0.00017413385595
                3d
                   -2 :               0.00001217619800
                   -1 :              -0.00000042006710
                   +0 :               0.00000125138872
                   +1 :               0.00001415256282
                   +2 :               0.00000463653838
             10 vec=     3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003932621458
                2s
                   +0 :               0.00032378680630
                3s
                   +0 :              -0.00011727006602
                2p
                   -1 :              -0.00019612167902
                   +0 :               0.00005821163598
                   +1 :               0.00004826379604
                3p
                   -1 :               0.00005956392774
                   +0 :              -0.00003338330634
                   +1 :               0.00000020252096
                3d
                   -2 :               0.00000073221881
                   -1 :               0.00000587635669
                   +0 :               0.00000375720679
                   +1 :               0.00000138753924
                   +2 :               0.00000581959362
             11 vec=    10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001811875084
                2s
                   +0 :              -0.00016043520372
                3s
                   +0 :               0.00006135815024
                2p
                   -1 :              -0.00003401543173
                   +0 :               0.00003859811369
                   +1 :              -0.00012079846731
                3p
                   -1 :               0.00000099913354
                   +0 :              -0.00002492219093
                   +1 :              -0.00000209582275
                3d
                   -2 :               0.00000028731817
                   -1 :              -0.00000355823161
                   +0 :               0.00000046407491
                   +1 :              -0.00000130928563
                   +2 :               0.00000234255197
             12 vec=    10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000582271854
                2s
                   +0 :               0.00006861419097
                3s
                   +0 :              -0.00000298639338
                2p
                   -1 :               0.00012521711895
                   +0 :              -0.00004767624680
                   +1 :               0.00001448511384
                3p
                   -1 :              -0.00011006749782
                   +0 :               0.00006289677474
                   +1 :               0.00005207447993
                3d
                   -2 :              -0.00000295922000
                   -1 :              -0.00000087868946
                   +0 :               0.00000039818092
                   +1 :              -0.00000125768312
                   +2 :               0.00000675095920
             13 vec=    10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002133379974
                2s
                   +0 :              -0.00019379284283
                3s
                   +0 :               0.00005657498215
                2p
                   -1 :               0.00003289925908
                   +0 :               0.00008000764345
                   +1 :              -0.00013304583238
                3p
                   -1 :               0.00002460932275
                   +0 :              -0.00004706885008
                   +1 :               0.00005675547315
                3d
                   -2 :               0.00000612327266
                   -1 :               0.00000006107918
                   +0 :              -0.00000099098384
                   +1 :              -0.00000348675461
                   +2 :               0.00000387784196
             14 vec=    10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001258478733
                2s
                   +0 :               0.00015320723715
                3s
                   +0 :              -0.00001021290725
                2p
                   -1 :              -0.00007208429127
                   +0 :               0.00006661142849
                   +1 :               0.00008914173042
                3p
                   -1 :               0.00003523403786
                   +0 :              -0.00001902929685
                   +1 :              -0.00000731932617
                3d
                   -2 :               0.00000265325368
                   -1 :               0.00000099114392
                   +0 :               0.00000603203456
                   +1 :              -0.00000109786382
                   +2 :               0.00000255387240
             15 vec=   -12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000707182041
                2s
                   +0 :              -0.00006556196868
                3s
                   +0 :               0.00003554375278
                2p
                   -1 :               0.00006199521311
                   +0 :               0.00001510694290
                   +1 :               0.00003630714926
                3p
                   -1 :              -0.00007597218100
                   +0 :              -0.00001822675558
                   +1 :              -0.00002578396542
                3d
                   -2 :               0.00000917561069
                   -1 :               0.00000697166548
                   +0 :              -0.00000452491631
                   +1 :               0.00000768744321
                   +2 :               0.00000385655899
             16 vec=   -12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002415594432
                2s
                   +0 :               0.00012819352860
                3s
                   +0 :              -0.00009695507457
                2p
                   -1 :              -0.00000992701806
                   +0 :               0.00003889144344
                   +1 :              -0.00013179537251
                3p
                   -1 :              -0.00001799504315
                   +0 :              -0.00005574336585
                   +1 :               0.00009385376515
                3d
                   -2 :               0.00000243266010
                   -1 :              -0.00001194685486
                   +0 :              -0.00000252974816
                   +1 :               0.00000814559103
                   +2 :               0.00000508665199
             17 vec=    -4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001728587849
                2s
                   +0 :              -0.00012236246740
                3s
                   +0 :               0.00005665210810
                2p
                   -1 :              -0.00009642078315
                   +0 :               0.00002555049490
                   +1 :               0.00012921436390
                3p
                   -1 :               0.00006869296735
                   +0 :              -0.00004140269584
                   +1 :              -0.00006491362518
                3d
                   -2 :              -0.00000053345316
                   -1 :              -0.00000352882634
                   +0 :               0.00000537762724
                   +1 :               0.00000484887292
                   +2 :               0.00000081776421
             18 vec=    -4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001768307148
                2s
                   +0 :               0.00016937008058
                3s
                   +0 :              -0.00004491987673
                2p
                   -1 :               0.00007854634675
                   +0 :               0.00002330432470
                   +1 :              -0.00005844498684
                3p
                   -1 :              -0.00004364437917
                   +0 :               0.00000591602499
                   +1 :               0.00002138738262
                3d
                   -2 :              -0.00000123309882
                   -1 :               0.00000207075991
                   +0 :               0.00000748767090
                   +1 :              -0.00000209917999
                   +2 :               0.00000088776850
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 29)  npairs=  14
              1 vec=     0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004887091416
                2s
                   +0 :              -0.00025154805068
                3s
                   +0 :              -0.00016248783104
                2p
                   -1 :               0.00059245038148
                   +0 :               0.00015501284574
                   +1 :               0.00051705374055
                3p
                   -1 :              -0.00027869772408
                   +0 :              -0.00008990938164
                   +1 :              -0.00037225995897
                3d
                   -2 :              -0.00003983434162
                   -1 :               0.00000352518087
                   +0 :               0.00002329901229
                   +1 :               0.00000600029964
                   +2 :              -0.00001696986588
              2 vec=     0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00002196129981
                2s
                   +0 :               0.00039514883721
                3s
                   +0 :               0.00008199473167
                2p
                   -1 :              -0.00026729218721
                   +0 :              -0.00041561148472
                   +1 :              -0.00004374533074
                3p
                   -1 :               0.00029355681518
                   +0 :               0.00054164423167
                   +1 :               0.00002855664954
                3d
                   -2 :               0.00001339227025
                   -1 :               0.00002528110113
                   +0 :               0.00001406986832
                   +1 :               0.00000594550594
                   +2 :              -0.00001682026712
              3 vec=     0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013591509764
                2s
                   +0 :              -0.00165805955137
                3s
                   +0 :               0.00015168034313
                2p
                   -1 :               0.00075495654018
                   +0 :               0.00100711043863
                   +1 :              -0.00027370169585
                3p
                   -1 :              -0.00039964045980
                   +0 :               0.00004673948106
                   +1 :               0.00010900890452
                3d
                   -2 :               0.00002510939615
                   -1 :              -0.00001792643200
                   +0 :              -0.00008725576907
                   +1 :               0.00001376792109
                   +2 :              -0.00001555076274
              4 vec=     0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00010708747694
                2s
                   +0 :               0.00144552511759
                3s
                   +0 :              -0.00012012074020
                2p
                   -1 :              -0.00018585168016
                   +0 :               0.00087866844251
                   +1 :              -0.00008583524521
                3p
                   -1 :              -0.00007915417364
                   +0 :              -0.00000432024724
                   +1 :               0.00014616542054
                3d
                   -2 :              -0.00002214026676
                   -1 :              -0.00002765110488
                   +0 :               0.00002718341141
                   +1 :               0.00004912367638
                   +2 :               0.00001857680568
              5 vec=    -7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003338338900
                2s
                   +0 :              -0.00042800829646
                3s
                   +0 :               0.00012079164051
                2p
                   -1 :               0.00018590090432
                   +0 :               0.00029436385775
                   +1 :               0.00003686669162
                3p
                   -1 :               0.00007151273228
                   +0 :              -0.00020668173697
                   +1 :               0.00004313099662
                3d
                   -2 :              -0.00000467126700
                   -1 :              -0.00002519781932
                   +0 :               0.00002175190069
                   +1 :              -0.00001264260516
                   +2 :               0.00000371935576
              6 vec=    -7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001226370938
                2s
                   +0 :              -0.00001199007362
                3s
                   +0 :               0.00005204009618
                2p
                   -1 :              -0.00051954916604
                   +0 :              -0.00031924740512
                   +1 :              -0.00008120332240
                3p
                   -1 :               0.00005783561768
                   +0 :               0.00030388959904
                   +1 :              -0.00012224444330
                3d
                   -2 :               0.00001616143320
                   -1 :              -0.00004395385945
                   +0 :               0.00001184013910
                   +1 :              -0.00001230570769
                   +2 :               0.00001774954385
              7 vec=     7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006902933451
                2s
                   +0 :              -0.00081456379455
                3s
                   +0 :               0.00012442849985
                2p
                   -1 :               0.00055316009409
                   +0 :               0.00043612919762
                   +1 :              -0.00016191714273
                3p
                   -1 :              -0.00015761207140
                   +0 :              -0.00013401163397
                   +1 :              -0.00001208382228
                3d
                   -2 :               0.00000815046107
                   -1 :              -0.00001544747071
                   +0 :               0.00000156495232
                   +1 :               0.00000727047822
                   +2 :               0.00000190101125
              8 vec=     7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001257734760
                2s
                   +0 :               0.00005857978537
                3s
                   +0 :               0.00012785750539
                2p
                   -1 :              -0.00014956294607
                   +0 :              -0.00017426697734
                   +1 :              -0.00019612535008
                3p
                   -1 :               0.00005644121582
                   +0 :               0.00022057155194
                   +1 :               0.00025451252466
                3d
                   -2 :              -0.00001634701741
                   -1 :              -0.00000914602682
                   +0 :               0.00001569560344
                   +1 :               0.00004912504555
                   +2 :               0.00001566501865
              9 vec=    -7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000382956159
                2s
                   +0 :              -0.00002732863893
                3s
                   +0 :              -0.00001631865397
                2p
                   -1 :              -0.00011435142679
                   +0 :              -0.00004896357255
                   +1 :              -0.00005844746989
                3p
                   -1 :               0.00003302289475
                   +0 :               0.00009669066590
                   +1 :               0.00009542687751
                3d
                   -2 :               0.00000562368730
                   -1 :               0.00000541216564
                   +0 :              -0.00002050035118
                   +1 :              -0.00000515671519
                   +2 :               0.00001262364306
             10 vec=    -7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00004369977162
                2s
                   +0 :               0.00034363080061
                3s
                   +0 :              -0.00011405234857
                2p
                   -1 :               0.00012804720648
                   +0 :               0.00014653296212
                   +1 :              -0.00023290510872
                3p
                   -1 :              -0.00004915099727
                   +0 :              -0.00010521436411
                   +1 :               0.00012502978761
                3d
                   -2 :              -0.00000170829624
                   -1 :              -0.00000259999130
                   +0 :               0.00000230214912
                   +1 :               0.00000570970790
                   +2 :              -0.00000021662021
             11 vec=     7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000116774430
                2s
                   +0 :              -0.00002244012366
                3s
                   +0 :              -0.00000789767720
                2p
                   -1 :              -0.00003858310588
                   +0 :               0.00008077770716
                   +1 :              -0.00010993799184
                3p
                   -1 :              -0.00000576121541
                   +0 :              -0.00002752080238
                   +1 :               0.00004398083317
                3d
                   -2 :               0.00000052964030
                   -1 :               0.00000202730228
                   +0 :               0.00000392361120
                   +1 :              -0.00000415363623
                   +2 :               0.00000316782115
             12 vec=     7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002946383423
                2s
                   +0 :              -0.00012637692682
                3s
                   +0 :               0.00007367891126
                2p
                   -1 :               0.00017277756058
                   +0 :              -0.00001252037151
                   +1 :               0.00000189282656
                3p
                   -1 :              -0.00014619586368
                   +0 :               0.00001712586337
                   +1 :               0.00001715950050
                3d
                   -2 :              -0.00002098386917
                   -1 :              -0.00001087941310
                   +0 :               0.00000722817994
                   +1 :               0.00001015385242
                   +2 :               0.00001386373339
             13 vec=     0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000136130575
                2s
                   +0 :              -0.00004576995013
                3s
                   +0 :              -0.00003281745102
                2p
                   -1 :              -0.00007940895056
                   +0 :              -0.00010593615704
                   +1 :               0.00003979635592
                3p
                   -1 :              -0.00004162726296
                   +0 :               0.00008417226135
                   +1 :              -0.00000447138759
                3d
                   -2 :               0.00000128789952
                   -1 :               0.00001257793718
                   +0 :              -0.00000190123897
                   +1 :               0.00000333506950
                   +2 :               0.00001017632574
             14 vec=     0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002311790238
                2s
                   +0 :               0.00023207109353
                3s
                   +0 :              -0.00004427003166
                2p
                   -1 :               0.00018016538187
                   +0 :               0.00006197525784
                   +1 :               0.00011399463052
                3p
                   -1 :              -0.00005512259803
                   +0 :               0.00000456550498
                   +1 :              -0.00007520403273
                3d
                   -2 :              -0.00000189483327
                   -1 :              -0.00000232944506
                   +0 :               0.00000247305965
                   +1 :              -0.00000082522169
                   +2 :              -0.00000342762334
WF             site_B          number of pairs
WF( 43)=[O_13_2pz]  to site O ( 30)  npairs=  14
              1 vec=    -2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00010109195005
                2s
                   +0 :               0.00020960397453
                3s
                   +0 :              -0.00041067323592
                2p
                   -1 :              -0.00055430793517
                   +0 :              -0.00071686866938
                   +1 :              -0.00046315271448
                3p
                   -1 :               0.00043909410016
                   +0 :               0.00072558583738
                   +1 :               0.00046082596518
                3d
                   -2 :              -0.00000065517640
                   -1 :              -0.00003775367285
                   +0 :               0.00000024001069
                   +1 :              -0.00002435408997
                   +2 :               0.00000059907291
              2 vec=    -2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000398305841
                2s
                   +0 :               0.00049902282827
                3s
                   +0 :               0.00007143501458
                2p
                   -1 :               0.00048533842502
                   +0 :               0.00009672464946
                   +1 :               0.00002626351765
                3p
                   -1 :              -0.00032005274134
                   +0 :               0.00001213391566
                   +1 :               0.00008025718973
                3d
                   -2 :              -0.00001124482664
                   -1 :              -0.00001509400660
                   +0 :              -0.00003015190824
                   +1 :              -0.00000071971690
                   +2 :              -0.00002794118017
              3 vec=     5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00009542595734
                2s
                   +0 :              -0.00141934385149
                3s
                   +0 :               0.00010057489512
                2p
                   -1 :              -0.00018397158689
                   +0 :               0.00101578109592
                   +1 :              -0.00031782165155
                3p
                   -1 :               0.00021670992935
                   +0 :              -0.00001257361087
                   +1 :              -0.00008275991286
                3d
                   -2 :               0.00003699090498
                   -1 :              -0.00002940824893
                   +0 :              -0.00002131153708
                   +1 :               0.00005136998459
                   +2 :              -0.00000985647044
              4 vec=     5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00021325368995
                2s
                   +0 :               0.00209434496216
                3s
                   +0 :              -0.00061803346172
                2p
                   -1 :               0.00007341710044
                   +0 :               0.00128443295057
                   +1 :               0.00088450832176
                3p
                   -1 :              -0.00004084478809
                   +0 :              -0.00036912284662
                   +1 :              -0.00048866130499
                3d
                   -2 :              -0.00005258229385
                   -1 :              -0.00000212019167
                   +0 :               0.00000248907103
                   +1 :              -0.00000099806148
                   +2 :              -0.00000103997002
              5 vec=    -2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00004865717626
                2s
                   +0 :              -0.00056947659102
                3s
                   +0 :               0.00004533560980
                2p
                   -1 :              -0.00026861455799
                   +0 :              -0.00001725567637
                   +1 :              -0.00016200024394
                3p
                   -1 :              -0.00003247132008
                   +0 :               0.00025969022927
                   +1 :               0.00005829012636
                3d
                   -2 :              -0.00002074770491
                   -1 :               0.00002508119023
                   +0 :              -0.00002474970273
                   +1 :               0.00000795018388
                   +2 :               0.00001410104716
              6 vec=    -2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002897566991
                2s
                   +0 :               0.00047144621314
                3s
                   +0 :              -0.00005421461297
                2p
                   -1 :               0.00004874962292
                   +0 :               0.00007083739076
                   +1 :               0.00006841225688
                3p
                   -1 :               0.00014858480829
                   +0 :               0.00005476897459
                   +1 :               0.00008582474131
                3d
                   -2 :               0.00001064135192
                   -1 :               0.00001340812957
                   +0 :              -0.00000403401648
                   +1 :               0.00001472009633
                   +2 :              -0.00000922323504
              7 vec=     5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006061205492
                2s
                   +0 :              -0.00045670415264
                3s
                   +0 :               0.00013580544352
                2p
                   -1 :               0.00010780637668
                   +0 :               0.00013343761236
                   +1 :              -0.00006928647801
                3p
                   -1 :              -0.00011581284899
                   +0 :              -0.00002719814534
                   +1 :              -0.00010354079041
                3d
                   -2 :              -0.00001044665108
                   -1 :               0.00002568443470
                   +0 :               0.00002000830636
                   +1 :               0.00001613772871
                   +2 :              -0.00001810177585
              8 vec=     5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00006062358935
                2s
                   +0 :               0.00081231564656
                3s
                   +0 :              -0.00010619035534
                2p
                   -1 :               0.00006000907209
                   +0 :               0.00049117481878
                   +1 :               0.00065431640515
                3p
                   -1 :              -0.00005115181414
                   +0 :              -0.00017337544884
                   +1 :              -0.00024687652479
                3d
                   -2 :               0.00000948199712
                   -1 :              -0.00000807262842
                   +0 :              -0.00000668229599
                   +1 :               0.00000946844400
                   +2 :               0.00000651360584
              9 vec=   -10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001724151373
                2s
                   +0 :              -0.00015503008746
                3s
                   +0 :               0.00004539805685
                2p
                   -1 :              -0.00009469341239
                   +0 :               0.00008467342382
                   +1 :               0.00016734894337
                3p
                   -1 :               0.00006871316505
                   +0 :              -0.00003265949294
                   +1 :              -0.00006186795900
                3d
                   -2 :               0.00000121029983
                   -1 :              -0.00000373757199
                   +0 :              -0.00001603692574
                   +1 :               0.00000048575888
                   +2 :              -0.00000087384280
             10 vec=   -10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000298886169
                2s
                   +0 :              -0.00002073134600
                3s
                   +0 :               0.00004077810769
                2p
                   -1 :              -0.00005593910635
                   +0 :              -0.00009475412476
                   +1 :              -0.00004273267653
                3p
                   -1 :               0.00002478092850
                   +0 :               0.00013422505337
                   +1 :              -0.00001765559079
                3d
                   -2 :               0.00000995253494
                   -1 :              -0.00000046515421
                   +0 :               0.00001874985787
                   +1 :              -0.00000658839819
                   +2 :               0.00001406345329
             11 vec=    -2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000340764920
                2s
                   +0 :              -0.00002263230008
                3s
                   +0 :              -0.00000500910771
                2p
                   -1 :               0.00017470495770
                   +0 :              -0.00003882193755
                   +1 :              -0.00013629674064
                3p
                   -1 :              -0.00010097868801
                   +0 :               0.00007773389809
                   +1 :               0.00013370619751
                3d
                   -2 :              -0.00001255305289
                   -1 :               0.00000655717217
                   +0 :              -0.00000653730498
                   +1 :              -0.00001408158344
                   +2 :              -0.00000818715189
             12 vec=    -2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000520480148
                2s
                   +0 :              -0.00000240554470
                3s
                   +0 :               0.00003359379467
                2p
                   -1 :              -0.00003907752067
                   +0 :               0.00005736320949
                   +1 :              -0.00013736049052
                3p
                   -1 :              -0.00000393228674
                   +0 :               0.00003326490037
                   +1 :               0.00007261582647
                3d
                   -2 :               0.00000155753411
                   -1 :              -0.00000538650746
                   +0 :               0.00000084765195
                   +1 :               0.00000145612967
                   +2 :               0.00000298789163
             13 vec=   -10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000592081310
                2s
                   +0 :              -0.00007982937364
                3s
                   +0 :               0.00001973048246
                2p
                   -1 :               0.00010249961715
                   +0 :               0.00000395570680
                   +1 :               0.00014893797358
                3p
                   -1 :              -0.00004436259063
                   +0 :              -0.00000995873347
                   +1 :              -0.00007295941546
                3d
                   -2 :               0.00000351673857
                   -1 :               0.00000143487263
                   +0 :               0.00000139308195
                   +1 :               0.00000957294650
                   +2 :              -0.00000634595177
             14 vec=   -10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00006239493537
                2s
                   +0 :              -0.00054575274880
                3s
                   +0 :               0.00004711978392
                2p
                   -1 :               0.00004029613150
                   +0 :              -0.00029809404050
                   +1 :               0.00012118418263
                3p
                   -1 :               0.00001534289379
                   +0 :              -0.00001587652945
                   +1 :               0.00002882683414
                3d
                   -2 :              -0.00000879770653
                   -1 :               0.00001239691637
                   +0 :              -0.00001737607270
                   +1 :               0.00003417159799
                   +2 :              -0.00001361055542
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al(  1)  npairs=  15
              1 vec=     2.803193      1.376162     10.693237   |vec|=   11.139884
                2s
                   +0 :               0.00022284761979
                2p
                   -1 :               0.00019307688358
                   +0 :               0.00016635704423
                   +1 :               0.00013680328792
                3s
                   +0 :              -0.00118832213291
                4s
                   +0 :               0.00072094955870
                3p
                   -1 :              -0.00096943311614
                   +0 :              -0.00196310564059
                   +1 :              -0.00137246734003
                4p
                   -1 :               0.00011160039851
                   +0 :               0.00085634008634
                   +1 :               0.00018793397670
                3d
                   -2 :               0.00004020526199
                   -1 :              -0.00032992916062
                   +0 :              -0.00060462164662
                   +1 :              -0.00037229286369
                   +2 :              -0.00002164455694
              2 vec=    -4.976970     -3.115717     10.693237   |vec|=   12.199313
                2s
                   +0 :              -0.00020700444855
                2p
                   -1 :               0.00002442252248
                   +0 :              -0.00011687297888
                   +1 :               0.00009507207275
                3s
                   +0 :               0.00039754837381
                4s
                   +0 :              -0.00020482667241
                3p
                   -1 :              -0.00002567019614
                   +0 :               0.00026435192740
                   +1 :              -0.00024309899074
                4p
                   -1 :              -0.00007003364322
                   +0 :              -0.00011684482399
                   +1 :               0.00012197596972
                3d
                   -2 :               0.00027195598755
                   -1 :              -0.00012075810802
                   +0 :               0.00003320706529
                   +1 :              -0.00008628738150
                   +2 :               0.00000285579752
              3 vec=    -4.976970      5.868041     10.693237   |vec|=   13.173817
                2s
                   +0 :               0.00031967396182
                2p
                   -1 :               0.00023594630439
                   +0 :               0.00017266490568
                   +1 :              -0.00001888814910
                3s
                   +0 :              -0.00061641514365
                4s
                   +0 :               0.00018632466786
                3p
                   -1 :              -0.00097969957219
                   +0 :              -0.00043960655859
                   +1 :              -0.00027190172643
                4p
                   -1 :               0.00023522495536
                   +0 :               0.00010583719021
                   +1 :               0.00009605409605
                3d
                   -2 :               0.00006317914608
                   -1 :              -0.00015181310168
                   +0 :              -0.00008684757808
                   +1 :              -0.00012787676635
                   +2 :               0.00015208766640
              4 vec=     2.803193     -7.607596     10.693237   |vec|=   13.419341
                2s
                   +0 :               0.00010210302112
                2p
                   -1 :              -0.00010193515942
                   +0 :               0.00014536870724
                   +1 :              -0.00007300573508
                3s
                   +0 :               0.00093291841923
                4s
                   +0 :              -0.00000560528322
                3p
                   -1 :              -0.00053484328745
                   +0 :               0.00017300749466
                   +1 :               0.00045919305092
                4p
                   -1 :              -0.00003044171134
                   +0 :               0.00012505355663
                   +1 :              -0.00013002065723
                3d
                   -2 :              -0.00012199346989
                   -1 :              -0.00024244582725
                   +0 :              -0.00005236475771
                   +1 :               0.00010399101694
                   +2 :              -0.00022529838941
              5 vec=     2.803193      1.376162    -13.854306   |vec|=   14.201883
                2s
                   +0 :               0.00014735688204
                2p
                   -1 :               0.00001308493975
                   +0 :              -0.00002804083137
                   +1 :               0.00004579306625
                3s
                   +0 :              -0.00029118892260
                4s
                   +0 :               0.00004970561542
                3p
                   -1 :              -0.00006745781726
                   +0 :               0.00008504926502
                   +1 :              -0.00016262126964
                4p
                   -1 :               0.00001961991444
                   +0 :               0.00000760189519
                   +1 :               0.00000935941843
                3d
                   -2 :               0.00000308524777
                   -1 :              -0.00001362637944
                   +0 :               0.00001301386083
                   +1 :              -0.00002020344647
                   +2 :              -0.00000788087111
              6 vec=    -4.976970     -3.115717    -13.854306   |vec|=   15.047249
                2s
                   +0 :              -0.00003207080113
                2p
                   -1 :               0.00004125807994
                   +0 :              -0.00003218409817
                   +1 :               0.00003406531248
                3s
                   +0 :               0.00011712488360
                4s
                   +0 :               0.00003108624563
                3p
                   -1 :              -0.00030079591962
                   +0 :               0.00015380469532
                   +1 :              -0.00024806864532
                4p
                   -1 :               0.00004863005570
                   +0 :              -0.00006905859265
                   +1 :               0.00000889504396
                3d
                   -2 :               0.00006111850914
                   -1 :              -0.00000854208248
                   +0 :              -0.00003071849827
                   +1 :              -0.00001496396006
                   +2 :               0.00001479043733
              7 vec=     2.803193     10.359920     10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00005880522113
                2p
                   -1 :               0.00005288695632
                   +0 :               0.00002304226803
                   +1 :              -0.00005422520957
                3s
                   +0 :              -0.00034319157758
                4s
                   +0 :               0.00006748454767
                3p
                   -1 :              -0.00026401016334
                   +0 :              -0.00024622804771
                   +1 :               0.00015712782325
                4p
                   -1 :               0.00003057226396
                   +0 :               0.00004567364682
                   +1 :              -0.00004287713938
                3d
                   -2 :              -0.00004910754936
                   -1 :              -0.00008105198199
                   +0 :              -0.00003717684258
                   +1 :               0.00000220444475
                   +2 :               0.00008922542643
              8 vec=    10.583355     -3.115717     10.693237   |vec|=   15.364258
                2s
                   +0 :              -0.00002109445002
                2p
                   -1 :              -0.00001283659572
                   +0 :               0.00001707235998
                   +1 :               0.00001347828741
                3s
                   +0 :               0.00019360793758
                4s
                   +0 :              -0.00001245360511
                3p
                   -1 :               0.00012243770696
                   +0 :              -0.00004557793974
                   +1 :               0.00008687469204
                4p
                   -1 :              -0.00002702172261
                   +0 :               0.00004228870407
                   +1 :              -0.00001497126909
                3d
                   -2 :               0.00008431426833
                   -1 :               0.00002974108373
                   +0 :               0.00003213118513
                   +1 :              -0.00001524045993
                   +2 :              -0.00001706513639
              9 vec=    -4.976970      5.868041    -13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00005391937200
                2p
                   -1 :              -0.00001543934180
                   +0 :               0.00005681707068
                   +1 :               0.00000346242959
                3s
                   +0 :               0.00005204353294
                4s
                   +0 :              -0.00004918494532
                3p
                   -1 :              -0.00007130433084
                   +0 :              -0.00028356459687
                   +1 :               0.00002653054891
                4p
                   -1 :              -0.00001515158748
                   +0 :               0.00008114738695
                   +1 :              -0.00003377007065
                3d
                   -2 :              -0.00001955113091
                   -1 :               0.00002074428487
                   +0 :               0.00005916296248
                   +1 :               0.00000721990626
                   +2 :               0.00007584395487
             10 vec=     2.803193     -7.607596    -13.854306   |vec|=   16.052264
                2s
                   +0 :              -0.00005690640854
                2p
                   -1 :               0.00002828959410
                   +0 :               0.00001961875429
                   +1 :               0.00001464609131
                3s
                   +0 :              -0.00001377258884
                4s
                   +0 :              -0.00005425118127
                3p
                   -1 :               0.00000410456636
                   +0 :              -0.00006324967022
                   +1 :              -0.00029513575119
                4p
                   -1 :              -0.00001405763682
                   +0 :               0.00001854229362
                   +1 :               0.00003230912876
                3d
                   -2 :               0.00001599566901
                   -1 :               0.00001129681496
                   +0 :               0.00006925450554
                   +1 :               0.00000853565797
                   +2 :              -0.00002939320251
             11 vec=    10.583355      5.868041     10.693237   |vec|=   16.148889
                2s
                   +0 :               0.00022492152893
                2p
                   -1 :               0.00004268318596
                   +0 :               0.00009519394755
                   +1 :               0.00011075715920
                3s
                   +0 :              -0.00071354448227
                4s
                   +0 :               0.00021893729228
                3p
                   -1 :              -0.00016554691322
                   +0 :              -0.00043803329670
                   +1 :              -0.00052236933749
                4p
                   -1 :               0.00002020772271
                   +0 :               0.00010954345479
                   +1 :               0.00011389743863
                3d
                   -2 :               0.00000514651443
                   -1 :              -0.00003121768787
                   +0 :              -0.00002044668720
                   +1 :              -0.00009402492109
                   +2 :              -0.00004386859257
             12 vec=   -12.757133      1.376162     10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00001634237764
                2p
                   -1 :               0.00002301801494
                   +0 :              -0.00003582040323
                   +1 :               0.00000115351028
                3s
                   +0 :              -0.00016153376465
                4s
                   +0 :              -0.00004078007521
                3p
                   -1 :              -0.00015432971564
                   +0 :               0.00004790419406
                   +1 :               0.00009151083367
                4p
                   -1 :               0.00001100687176
                   +0 :              -0.00005695101132
                   +1 :               0.00002083226968
                3d
                   -2 :               0.00008978846804
                   -1 :              -0.00002241484597
                   +0 :               0.00003865376575
                   +1 :               0.00003208561992
                   +2 :               0.00000090709219
             13 vec=    -4.976970    -12.099475     10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00005838320282
                2p
                   -1 :              -0.00003221190759
                   +0 :               0.00001691959871
                   +1 :              -0.00001716630136
                3s
                   +0 :              -0.00023923736039
                4s
                   +0 :               0.00004492356567
                3p
                   -1 :               0.00017596166284
                   +0 :              -0.00012463012186
                   +1 :               0.00008671947471
                4p
                   -1 :              -0.00002580294976
                   +0 :               0.00001526493253
                   +1 :              -0.00003651076180
                3d
                   -2 :              -0.00005368890399
                   -1 :               0.00004568446799
                   +0 :              -0.00000827798397
                   +1 :               0.00000507916758
                   +2 :               0.00002130958757
             14 vec=     2.803193     10.359920    -13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00007255824914
                2p
                   -1 :              -0.00003978404489
                   +0 :               0.00000063483490
                   +1 :               0.00001142412573
                3s
                   +0 :               0.00020495511221
                4s
                   +0 :              -0.00004311601867
                3p
                   -1 :               0.00016016382593
                   +0 :               0.00002946985597
                   +1 :              -0.00006738351629
                4p
                   -1 :              -0.00003300628480
                   +0 :              -0.00002562397885
                   +1 :               0.00002310643294
                3d
                   -2 :              -0.00004255927134
                   -1 :              -0.00001051762627
                   +0 :              -0.00002302174317
                   +1 :               0.00000233541670
                   +2 :              -0.00000665677790
             15 vec=    10.583355     -3.115717    -13.854306   |vec|=   17.710361
                2s
                   +0 :               0.00006876808419
                2p
                   -1 :              -0.00002405251894
                   +0 :              -0.00001632086743
                   +1 :               0.00004893632289
                3s
                   +0 :              -0.00008311422961
                4s
                   +0 :               0.00003299470920
                3p
                   -1 :               0.00008072187096
                   +0 :               0.00003815142906
                   +1 :              -0.00013198173286
                4p
                   -1 :              -0.00000480447115
                   +0 :               0.00000267813453
                   +1 :               0.00003933871371
                3d
                   -2 :               0.00002460688865
                   -1 :              -0.00003022938195
                   +0 :              -0.00001000376577
                   +1 :               0.00001002360841
                   +2 :              -0.00000410697262
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al(  2)  npairs=  13
              1 vec=     2.803193      1.376162     -6.601980   |vec|=    7.303276
                2s
                   +0 :              -0.00268421213331
                2p
                   -1 :              -0.00043237840782
                   +0 :               0.00158663725796
                   +1 :              -0.00036673917438
                3s
                   +0 :               0.00919254229888
                4s
                   +0 :              -0.00392088242170
                3p
                   -1 :               0.00525865326820
                   +0 :              -0.00341666009260
                   +1 :               0.00035828334539
                4p
                   -1 :              -0.00101878579504
                   +0 :               0.00172208344221
                   +1 :              -0.00042684952770
                3d
                   -2 :              -0.00033469898672
                   -1 :              -0.00028684257822
                   +0 :              -0.00086541519832
                   +1 :               0.00123911337038
                   +2 :              -0.00011154504729
              2 vec=    -4.976970     -3.115717     -6.601980   |vec|=    8.835387
                2s
                   +0 :               0.00129011022472
                2p
                   -1 :               0.00044136063558
                   +0 :              -0.00031735184437
                   +1 :              -0.00004466160845
                3s
                   +0 :              -0.01250469167965
                4s
                   +0 :               0.00072466049626
                3p
                   -1 :               0.00001779552087
                   +0 :               0.00721710674626
                   +1 :               0.00451579205765
                4p
                   -1 :               0.00129345842539
                   +0 :              -0.00021513863296
                   +1 :               0.00039112037540
                3d
                   -2 :              -0.00070104037563
                   -1 :              -0.00081755967688
                   +0 :              -0.00063969437383
                   +1 :              -0.00216860069333
                   +2 :              -0.00181305673345
              3 vec=    -4.976970      5.868041     -6.601980   |vec|=   10.138554
                2s
                   +0 :               0.00124317065933
                2p
                   -1 :               0.00058466772015
                   +0 :              -0.00026113908924
                   +1 :              -0.00076519852284
                3s
                   +0 :              -0.00638879628782
                4s
                   +0 :               0.00295333358953
                3p
                   -1 :              -0.00362610186049
                   +0 :               0.00268339120912
                   +1 :               0.00486641034791
                4p
                   -1 :               0.00138897742361
                   +0 :              -0.00095547651644
                   +1 :              -0.00150608510647
                3d
                   -2 :               0.00102835413088
                   -1 :               0.00042132133182
                   +0 :               0.00024755736637
                   +1 :              -0.00085567137556
                   +2 :               0.00005067019284
              4 vec=     2.803193     -7.607596     -6.601980   |vec|=   10.455599
                2s
                   +0 :              -0.00043217641855
                2p
                   -1 :              -0.00006255374818
                   +0 :               0.00022481868781
                   +1 :               0.00002534328287
                3s
                   +0 :               0.00161468736546
                4s
                   +0 :              -0.00032980992665
                3p
                   -1 :               0.00038457598717
                   +0 :              -0.00057655171144
                   +1 :              -0.00042736785472
                4p
                   -1 :              -0.00028742793204
                   +0 :               0.00014052890468
                   +1 :               0.00005224403782
                3d
                   -2 :              -0.00000162345517
                   -1 :              -0.00006889820586
                   +0 :               0.00049651411667
                   +1 :               0.00045411554586
                   +2 :               0.00014468207916
              5 vec=     2.803193     10.359920     -6.601980   |vec|=   12.600475
                2s
                   +0 :              -0.00023381148648
                2p
                   -1 :               0.00003864621261
                   +0 :               0.00021950793295
                   +1 :               0.00012390885303
                3s
                   +0 :               0.00170815860102
                4s
                   +0 :              -0.00066377181543
                3p
                   -1 :               0.00032736808947
                   +0 :              -0.00157535957096
                   +1 :              -0.00076041997915
                4p
                   -1 :              -0.00005421161116
                   +0 :               0.00038260493131
                   +1 :               0.00025630143400
                3d
                   -2 :              -0.00004640973554
                   -1 :              -0.00028999836465
                   +0 :               0.00016802661795
                   +1 :               0.00003601846727
                   +2 :              -0.00005742612778
              6 vec=    10.583355     -3.115717     -6.601980   |vec|=   12.856953
                2s
                   +0 :              -0.00025976768407
                2p
                   -1 :              -0.00004565330220
                   +0 :              -0.00001863196397
                   +1 :               0.00004354912400
                3s
                   +0 :               0.00186775172821
                4s
                   +0 :              -0.00025051268693
                3p
                   -1 :               0.00002425113131
                   +0 :              -0.00069602026822
                   +1 :               0.00032367880805
                4p
                   -1 :              -0.00019586051188
                   +0 :               0.00009536465661
                   +1 :               0.00005793895626
                3d
                   -2 :              -0.00011916818665
                   -1 :               0.00007973952060
                   +0 :               0.00000957602916
                   +1 :              -0.00015105018185
                   +2 :               0.00020079137050
              7 vec=    10.583355      5.868041     -6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00003347929360
                2p
                   -1 :               0.00006498179274
                   +0 :              -0.00004855643320
                   +1 :              -0.00016265157198
                3s
                   +0 :               0.00076671901394
                4s
                   +0 :              -0.00050134801098
                3p
                   -1 :               0.00016261043399
                   +0 :               0.00007820478318
                   +1 :               0.00122072035271
                4p
                   -1 :              -0.00020396066748
                   +0 :               0.00008189559164
                   +1 :              -0.00047551000036
                3d
                   -2 :               0.00016632071700
                   -1 :              -0.00007560423261
                   +0 :              -0.00004854603959
                   +1 :               0.00004091876072
                   +2 :               0.00000384982770
              8 vec=   -12.757133      1.376162     -6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00025254804116
                2p
                   -1 :              -0.00007407196202
                   +0 :              -0.00017724836099
                   +1 :              -0.00005628110999
                3s
                   +0 :              -0.00116807340282
                4s
                   +0 :               0.00031749666059
                3p
                   -1 :               0.00038637335043
                   +0 :               0.00092025739583
                   +1 :               0.00038496002300
                4p
                   -1 :              -0.00014257083861
                   +0 :              -0.00016820527126
                   +1 :              -0.00006154367135
                3d
                   -2 :              -0.00001824126465
                   -1 :              -0.00007879497910
                   +0 :              -0.00006821403597
                   +1 :              -0.00012156463372
                   +2 :               0.00001637368021
              9 vec=    -4.976970    -12.099475     -6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00002417043114
                2p
                   -1 :               0.00000935167078
                   +0 :               0.00002493533016
                   +1 :               0.00004764065652
                3s
                   +0 :               0.00003823535573
                4s
                   +0 :               0.00001543943918
                3p
                   -1 :              -0.00004304546944
                   +0 :              -0.00010760010922
                   +1 :              -0.00028399899867
                4p
                   -1 :               0.00000144194315
                   +0 :               0.00001316955069
                   +1 :               0.00003552506954
                3d
                   -2 :               0.00001908412343
                   -1 :              -0.00001149447326
                   +0 :               0.00002577415066
                   +1 :               0.00007385738971
                   +2 :              -0.00001380734737
             10 vec=   -12.757133     -7.607596     -6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00012815004470
                2p
                   -1 :              -0.00002665630421
                   +0 :              -0.00006827709478
                   +1 :              -0.00003603014795
                3s
                   +0 :              -0.00047121366705
                4s
                   +0 :               0.00006887594860
                3p
                   -1 :               0.00013162370823
                   +0 :               0.00032607326223
                   +1 :               0.00012165961782
                4p
                   -1 :              -0.00002295594091
                   +0 :              -0.00005792197473
                   +1 :               0.00002257665877
                3d
                   -2 :              -0.00000730972523
                   -1 :              -0.00002504891488
                   +0 :              -0.00001889623488
                   +1 :              -0.00006877661795
                   +2 :              -0.00000615014375
             11 vec=    -4.976970     14.851799     -6.601980   |vec|=   16.998009
                2s
                   +0 :               0.00002285995213
                2p
                   -1 :              -0.00001505269253
                   +0 :               0.00000303470721
                   +1 :              -0.00001175682670
                3s
                   +0 :              -0.00018543554828
                4s
                   +0 :               0.00002149133472
                3p
                   -1 :               0.00001883478202
                   +0 :               0.00005889892164
                   +1 :               0.00005707454670
                4p
                   -1 :              -0.00002881919653
                   +0 :              -0.00001178916125
                   +1 :              -0.00001442404594
                3d
                   -2 :               0.00007008099145
                   -1 :               0.00002148342559
                   +0 :              -0.00002707482957
                   +1 :              -0.00002282317370
                   +2 :               0.00002228405298
             12 vec=    10.583355    -12.099475     -6.601980   |vec|=   17.377884
                2s
                   +0 :              -0.00005883786280
                2p
                   -1 :              -0.00001511853539
                   +0 :               0.00002921780316
                   +1 :              -0.00000850413434
                3s
                   +0 :               0.00032531553172
                4s
                   +0 :              -0.00007285770587
                3p
                   -1 :               0.00005384975384
                   +0 :              -0.00020573454186
                   +1 :               0.00007295338720
                4p
                   -1 :              -0.00003218147487
                   +0 :               0.00004217232699
                   +1 :              -0.00000890914273
                3d
                   -2 :               0.00000454281883
                   -1 :               0.00002083438067
                   +0 :               0.00001512451731
                   +1 :              -0.00004106966644
                   +2 :               0.00003493146376
             13 vec=   -12.757133     10.359920     -6.601980   |vec|=   17.710407
                2s
                   +0 :               0.00004391646704
                2p
                   -1 :              -0.00001392545686
                   +0 :               0.00000777354872
                   +1 :              -0.00002242359514
                3s
                   +0 :              -0.00024789558364
                4s
                   +0 :               0.00009255863614
                3p
                   -1 :               0.00008058760386
                   +0 :              -0.00000884176946
                   +1 :               0.00019187649838
                4p
                   -1 :              -0.00003374476301
                   +0 :              -0.00000775147355
                   +1 :              -0.00007213636550
                3d
                   -2 :               0.00001779178798
                   -1 :              -0.00002560882755
                   +0 :              -0.00001082721968
                   +1 :               0.00002119949504
                   +2 :              -0.00000665226722
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Cr(  3)  npairs=  14
              1 vec=     2.803193      1.376162      5.671791   |vec|=    6.474637
                3s
                   +0 :               0.00298309862517
                3p
                   -1 :               0.00080905433497
                   +0 :               0.00018382194384
                   +1 :               0.00130119494960
                4s
                   +0 :              -0.00579912672356
                5s
                   +0 :               0.00104177308718
                3d
                   -2 :              -0.00033843946095
                   -1 :               0.00098280038807
                   +0 :              -0.00184369436063
                   +1 :               0.00075907661488
                   +2 :               0.00070350204902
                4d
                   -2 :              -0.00045660612156
                   -1 :              -0.00081936140633
                   +0 :              -0.00280485433990
                   +1 :              -0.00194869441205
                   +2 :              -0.00117259076829
                4p
                   -1 :              -0.00105580421899
                   +0 :              -0.00193827071320
                   +1 :              -0.00240947934909
              2 vec=    -4.976970     -3.115717      5.671791   |vec|=    8.163770
                3s
                   +0 :               0.00008045965886
                3p
                   -1 :               0.00000201005420
                   +0 :              -0.00111394876150
                   +1 :               0.00005794135840
                4s
                   +0 :               0.00212668821489
                5s
                   +0 :               0.00008306955920
                3d
                   -2 :               0.00010444823109
                   -1 :               0.00120942355632
                   +0 :              -0.00288974628886
                   +1 :               0.00088881381961
                   +2 :               0.00279411792731
                4d
                   -2 :              -0.00025542445394
                   -1 :               0.00026171122139
                   +0 :               0.00015503099348
                   +1 :               0.00011041732690
                   +2 :               0.00041065480471
                4p
                   -1 :               0.00022728473432
                   +0 :               0.00039535753075
                   +1 :              -0.00086576585018
              3 vec=    -4.976970      5.868041      5.671791   |vec|=    9.558941
                3s
                   +0 :              -0.00042659616334
                3p
                   -1 :              -0.00048769092429
                   +0 :               0.00002203031143
                   +1 :               0.00048763683180
                4s
                   +0 :               0.00193047726341
                5s
                   +0 :              -0.00047360380084
                3d
                   -2 :               0.00149735675401
                   -1 :               0.00037423057562
                   +0 :              -0.00006148492746
                   +1 :               0.00087795308141
                   +2 :              -0.00029934145947
                4d
                   -2 :              -0.00109288551807
                   -1 :               0.00045194874472
                   +0 :              -0.00001888613267
                   +1 :              -0.00076071046010
                   +2 :              -0.00016563264439
                4p
                   -1 :               0.00094981271243
                   +0 :               0.00024253298191
                   +1 :              -0.00171987370905
              4 vec=     2.803193     -7.607596      5.671791   |vec|=    9.894576
                3s
                   +0 :              -0.00186298716455
                3p
                   -1 :               0.00062575913868
                   +0 :              -0.00060487526383
                   +1 :              -0.00067102609637
                4s
                   +0 :               0.00335208032704
                5s
                   +0 :              -0.00039569395622
                3d
                   -2 :               0.00037797766972
                   -1 :               0.00022252713870
                   +0 :               0.00019963869780
                   +1 :              -0.00029575341602
                   +2 :              -0.00003154755663
                4d
                   -2 :              -0.00078678600317
                   -1 :              -0.00047952281929
                   +0 :              -0.00025646107404
                   +1 :               0.00073914502022
                   +2 :               0.00018960089963
                4p
                   -1 :              -0.00104899459452
                   +0 :               0.00095063132678
                   +1 :               0.00138545482272
              5 vec=     2.803193     10.359920      5.671791   |vec|=   12.138989
                3s
                   +0 :               0.00001156394779
                3p
                   -1 :              -0.00006908691835
                   +0 :               0.00011786830327
                   +1 :              -0.00002955086019
                4s
                   +0 :              -0.00017613002849
                5s
                   +0 :               0.00006134686091
                3d
                   -2 :              -0.00018914701518
                   -1 :               0.00014961538787
                   +0 :               0.00049721555841
                   +1 :              -0.00008260856396
                   +2 :               0.00040416062437
                4d
                   -2 :              -0.00019926138887
                   -1 :              -0.00005724818841
                   +0 :              -0.00000802028504
                   +1 :               0.00001016380924
                   +2 :              -0.00001220240320
                4p
                   -1 :              -0.00008530764753
                   +0 :              -0.00012378805641
                   +1 :              -0.00002876336244
              6 vec=    10.583355     -3.115717      5.671791   |vec|=   12.405012
                3s
                   +0 :               0.00001595917356
                3p
                   -1 :              -0.00000412853191
                   +0 :              -0.00002251112116
                   +1 :              -0.00013951315894
                4s
                   +0 :              -0.00048580211655
                5s
                   +0 :              -0.00000672588101
                3d
                   -2 :               0.00063667752492
                   -1 :               0.00001628674431
                   +0 :               0.00054036841408
                   +1 :              -0.00026281639653
                   +2 :              -0.00051383512773
                4d
                   -2 :               0.00017375489711
                   -1 :               0.00013122676657
                   +0 :              -0.00003187687156
                   +1 :              -0.00005394307765
                   +2 :               0.00010524328380
                4p
                   -1 :               0.00047039053650
                   +0 :              -0.00010105759634
                   +1 :              -0.00028639600518
              7 vec=    10.583355      5.868041      5.671791   |vec|=   13.364525
                3s
                   +0 :              -0.00040356279276
                3p
                   -1 :              -0.00008097597768
                   +0 :              -0.00004590160179
                   +1 :              -0.00000069284032
                4s
                   +0 :               0.00082043894650
                5s
                   +0 :              -0.00009187672179
                3d
                   -2 :               0.00005171995205
                   -1 :              -0.00023147442329
                   +0 :               0.00016041679991
                   +1 :               0.00009426676953
                   +2 :               0.00025901482675
                4d
                   -2 :               0.00004942047488
                   -1 :               0.00009469169729
                   +0 :              -0.00011572810076
                   +1 :              -0.00009355045072
                   +2 :              -0.00015441513505
                4p
                   -1 :               0.00018035586568
                   +0 :               0.00012338514610
                   +1 :               0.00008507030695
              8 vec=   -12.757133      1.376162      5.671791   |vec|=   14.028809
                3s
                   +0 :               0.00051636618488
                3p
                   -1 :              -0.00008314566994
                   +0 :               0.00015671960139
                   +1 :              -0.00037977974382
                4s
                   +0 :              -0.00070360887178
                5s
                   +0 :               0.00002196612915
                3d
                   -2 :               0.00053710690373
                   -1 :              -0.00035295499123
                   +0 :              -0.00002249751611
                   +1 :              -0.00053704846749
                   +2 :               0.00012417910801
                4d
                   -2 :              -0.00014263026135
                   -1 :               0.00005829785179
                   +0 :               0.00002402374255
                   +1 :               0.00032516925866
                   +2 :              -0.00009611442595
                4p
                   -1 :               0.00004690101907
                   +0 :              -0.00023278425194
                   +1 :               0.00046707226262
              9 vec=    -4.976970    -12.099475      5.671791   |vec|=   14.259619
                3s
                   +0 :              -0.00002714609359
                3p
                   -1 :              -0.00006078760912
                   +0 :               0.00003180183445
                   +1 :              -0.00001980640205
                4s
                   +0 :               0.00015170738219
                5s
                   +0 :              -0.00005689325959
                3d
                   -2 :              -0.00006724929236
                   -1 :               0.00006175653025
                   +0 :               0.00007437018195
                   +1 :               0.00008225274055
                   +2 :              -0.00002235072719
                4d
                   -2 :              -0.00008496509683
                   -1 :               0.00007657299986
                   +0 :              -0.00001749883086
                   +1 :               0.00001340428942
                   +2 :              -0.00000097476283
                4p
                   -1 :               0.00007929265754
                   +0 :              -0.00005820381193
                   +1 :               0.00011124504471
             10 vec=   -12.757133     -7.607596      5.671791   |vec|=   15.899345
                3s
                   +0 :               0.00017269539564
                3p
                   -1 :              -0.00005706593024
                   +0 :               0.00003643708157
                   +1 :              -0.00013002873396
                4s
                   +0 :              -0.00032469548887
                5s
                   +0 :               0.00002375132873
                3d
                   -2 :               0.00020500802860
                   -1 :              -0.00008243628758
                   +0 :              -0.00007462256130
                   +1 :              -0.00019974049078
                   +2 :               0.00016243864589
                4d
                   -2 :              -0.00006671713177
                   -1 :               0.00002163715861
                   +0 :               0.00004732034748
                   +1 :               0.00008223443250
                   +2 :              -0.00007262570038
                4p
                   -1 :               0.00009874716903
                   +0 :              -0.00006264096803
                   +1 :               0.00024568649720
             11 vec=    -4.976970     14.851799      5.671791   |vec|=   16.658793
                3s
                   +0 :               0.00006874015438
                3p
                   -1 :               0.00010143911592
                   +0 :               0.00004774657775
                   +1 :              -0.00000997605205
                4s
                   +0 :              -0.00014652158200
                5s
                   +0 :               0.00001174940079
                3d
                   -2 :              -0.00006846493266
                   -1 :               0.00017383865936
                   +0 :              -0.00008914352886
                   +1 :              -0.00004805128413
                   +2 :              -0.00025754770658
                4d
                   -2 :               0.00005510386729
                   -1 :              -0.00010041990097
                   +0 :               0.00002022739517
                   +1 :               0.00002380453800
                   +2 :               0.00011425990411
                4p
                   -1 :              -0.00018109182309
                   +0 :              -0.00009784513214
                   +1 :               0.00000986309904
             12 vec=    10.583355    -12.099475      5.671791   |vec|=   17.046229
                3s
                   +0 :              -0.00010463783545
                3p
                   -1 :               0.00000304035957
                   +0 :              -0.00002519595409
                   +1 :              -0.00006110470967
                4s
                   +0 :               0.00015183013071
                5s
                   +0 :              -0.00002109409047
                3d
                   -2 :               0.00011116539932
                   -1 :               0.00004648933058
                   +0 :               0.00002883437832
                   +1 :              -0.00014155888334
                   +2 :              -0.00006535700210
                4d
                   -2 :              -0.00001411924651
                   -1 :              -0.00000901458246
                   +0 :              -0.00000445118479
                   +1 :               0.00003674695851
                   +2 :               0.00002626321247
                4p
                   -1 :               0.00000086816256
                   +0 :               0.00002938714119
                   +1 :               0.00009315493508
             13 vec=   -12.757133     10.359920      5.671791   |vec|=   17.385097
                3s
                   +0 :               0.00001163422895
                3p
                   -1 :               0.00000791251831
                   +0 :               0.00003046508403
                   +1 :               0.00000632285786
                4s
                   +0 :               0.00001409521029
                5s
                   +0 :              -0.00000453261701
                3d
                   -2 :               0.00005629768484
                   -1 :               0.00007400505412
                   +0 :              -0.00001111467778
                   +1 :               0.00001493842418
                   +2 :              -0.00006873385029
                4d
                   -2 :              -0.00001501496640
                   -1 :               0.00000088566107
                   +0 :               0.00001644520817
                   +1 :              -0.00000229461070
                   +2 :               0.00000237549309
                4p
                   -1 :               0.00000461178463
                   +0 :              -0.00003923656982
                   +1 :              -0.00001208222376
             14 vec=     2.803193    -16.591354      5.671791   |vec|=   17.756693
                3s
                   +0 :               0.00001978842579
                3p
                   -1 :              -0.00001102623752
                   +0 :               0.00000233057486
                   +1 :               0.00001925549487
                4s
                   +0 :              -0.00001998957102
                5s
                   +0 :              -0.00000450637911
                3d
                   -2 :              -0.00003757446630
                   -1 :              -0.00000549797478
                   +0 :               0.00000634990105
                   +1 :               0.00009101158763
                   +2 :              -0.00000755757462
                4d
                   -2 :              -0.00001659108711
                   -1 :              -0.00000019271085
                   +0 :              -0.00000835321579
                   +1 :               0.00000881346383
                   +2 :              -0.00000583815757
                4p
                   -1 :               0.00000856666265
                   +0 :              -0.00000447576972
                   +1 :              -0.00000949701254
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al(  4)  npairs=  14
              1 vec=     2.803193      1.376162     -1.580534   |vec|=    3.499971
                2s
                   +0 :               0.03980121957596
                2p
                   -1 :               0.02102603991056
                   +0 :              -0.02547698543789
                   +1 :               0.03191552734437
                3s
                   +0 :               0.09985912971070
                4s
                   +0 :               0.01246783491140
                3p
                   -1 :               0.03438791428751
                   +0 :              -0.04617952002598
                   +1 :               0.05520100177416
                4p
                   -1 :               0.01325076514685
                   +0 :              -0.01186326275201
                   +1 :               0.01599841015692
                3d
                   -2 :               0.03669044615931
                   -1 :              -0.03132018298124
                   +0 :               0.00284919611964
                   +1 :              -0.04433040797262
                   +2 :               0.01020483723964
              2 vec=    -4.976970     -3.115717     -1.580534   |vec|=    6.080790
                2s
                   +0 :               0.00425068391278
                2p
                   -1 :              -0.00187373410346
                   +0 :              -0.00086505961426
                   +1 :              -0.00317979973817
                3s
                   +0 :              -0.00795235994446
                4s
                   +0 :               0.00623166799295
                3p
                   -1 :               0.00401425702660
                   +0 :               0.00352070510585
                   +1 :               0.01091398262475
                4p
                   -1 :              -0.00223189426710
                   +0 :              -0.00133829811979
                   +1 :              -0.00396985933802
                3d
                   -2 :              -0.00095371771446
                   -1 :              -0.00062586782058
                   +0 :               0.00246197467177
                   +1 :              -0.00175407290696
                   +2 :              -0.00383644437124
              3 vec=    -4.976970      5.868041     -1.580534   |vec|=    7.855076
                2s
                   +0 :               0.00012408744884
                2p
                   -1 :               0.00055692775043
                   +0 :               0.00049112925627
                   +1 :              -0.00002307748112
                3s
                   +0 :              -0.00594877040828
                4s
                   +0 :               0.00003844990007
                3p
                   -1 :               0.00104953569048
                   +0 :               0.00214777805533
                   +1 :               0.00342779766516
                4p
                   -1 :               0.00015249201996
                   +0 :               0.00023005522376
                   +1 :              -0.00004544223782
                3d
                   -2 :              -0.00056932858547
                   -1 :              -0.00046039015356
                   +0 :              -0.00072595551981
                   +1 :              -0.00098352327128
                   +2 :              -0.00204218191361
              4 vec=     2.803193     -7.607596     -1.580534   |vec|=    8.260236
                2s
                   +0 :              -0.00007688937927
                2p
                   -1 :              -0.00030278441310
                   +0 :              -0.00021124632762
                   +1 :               0.00019852062365
                3s
                   +0 :               0.00497186701252
                4s
                   +0 :              -0.00012581601784
                3p
                   -1 :              -0.00155978185072
                   +0 :              -0.00230914112684
                   +1 :              -0.00326048548272
                4p
                   -1 :              -0.00049498127685
                   +0 :              -0.00007404241596
                   +1 :               0.00022149178867
                3d
                   -2 :               0.00113353842129
                   -1 :               0.00171994295299
                   +0 :               0.00035520867378
                   +1 :               0.00089086812759
                   +2 :              -0.00024950393287
              5 vec=     2.803193     10.359920     -1.580534   |vec|=   10.848222
                2s
                   +0 :              -0.00032049428019
                2p
                   -1 :              -0.00032696614345
                   +0 :              -0.00023917797320
                   +1 :              -0.00018085933512
                3s
                   +0 :              -0.00000774439064
                4s
                   +0 :              -0.00008827497512
                3p
                   -1 :               0.00108603831558
                   +0 :               0.00103662281422
                   +1 :              -0.00015378496745
                4p
                   -1 :              -0.00013482646861
                   +0 :              -0.00005826150953
                   +1 :              -0.00018706722115
                3d
                   -2 :               0.00064063238741
                   -1 :              -0.00005306573342
                   +0 :              -0.00010381873881
                   +1 :               0.00031235747280
                   +2 :              -0.00046791245635
              6 vec=    10.583355     -3.115717     -1.580534   |vec|=   11.145097
                2s
                   +0 :              -0.00019573891063
                2p
                   -1 :               0.00027490672762
                   +0 :               0.00011426402266
                   +1 :              -0.00008635966348
                3s
                   +0 :               0.00204461450134
                4s
                   +0 :              -0.00102557739426
                3p
                   -1 :              -0.00186293005555
                   +0 :              -0.00106722708572
                   +1 :               0.00161702189137
                4p
                   -1 :               0.00057045278473
                   +0 :               0.00022110409936
                   +1 :              -0.00047479885465
                3d
                   -2 :              -0.00088121539899
                   -1 :               0.00028421592929
                   +0 :              -0.00020860974336
                   +1 :              -0.00048345801022
                   +2 :              -0.00029100448865
              7 vec=    10.583355      5.868041     -1.580534   |vec|=   12.204073
                2s
                   +0 :              -0.00033947923404
                2p
                   -1 :              -0.00001671520757
                   +0 :               0.00015857776004
                   +1 :              -0.00023660970235
                3s
                   +0 :               0.00126332894387
                4s
                   +0 :              -0.00012455362850
                3p
                   -1 :               0.00006312742084
                   +0 :              -0.00096159521242
                   +1 :               0.00145571252601
                4p
                   -1 :               0.00011024195318
                   +0 :               0.00007347934820
                   +1 :              -0.00033951160458
                3d
                   -2 :               0.00011964549627
                   -1 :              -0.00015475723464
                   +0 :              -0.00014364770922
                   +1 :              -0.00015320752215
                   +2 :               0.00029760107887
              8 vec=   -12.757133      1.376162     -1.580534   |vec|=   12.928122
                2s
                   +0 :               0.00024009150197
                2p
                   -1 :              -0.00014006965381
                   +0 :               0.00018684097102
                   +1 :               0.00014240494594
                3s
                   +0 :              -0.00265507402947
                4s
                   +0 :               0.00033279427298
                3p
                   -1 :              -0.00093000322819
                   +0 :               0.00075344395410
                   +1 :              -0.00000509362610
                4p
                   -1 :              -0.00012324651036
                   +0 :               0.00005040181170
                   +1 :               0.00012264228571
                3d
                   -2 :               0.00026559508400
                   -1 :               0.00065074417115
                   +0 :              -0.00026187294909
                   +1 :              -0.00024828461270
                   +2 :               0.00054052101882
              9 vec=    -4.976970    -12.099475     -1.580534   |vec|=   13.178225
                2s
                   +0 :              -0.00016937490152
                2p
                   -1 :               0.00004373990070
                   +0 :               0.00001527397479
                   +1 :              -0.00002987574105
                3s
                   +0 :              -0.00038418761530
                4s
                   +0 :              -0.00004375400440
                3p
                   -1 :               0.00046878681520
                   +0 :               0.00052960211173
                   +1 :              -0.00001112468751
                4p
                   -1 :              -0.00003184264151
                   +0 :              -0.00002188842086
                   +1 :              -0.00002964023781
                3d
                   -2 :               0.00000640816826
                   -1 :              -0.00020392168805
                   +0 :              -0.00002757130234
                   +1 :               0.00000581634942
                   +2 :               0.00016634055177
             10 vec=   -12.757133     -7.607596     -1.580534   |vec|=   14.937136
                2s
                   +0 :               0.00020609001989
                2p
                   -1 :              -0.00001250190675
                   +0 :               0.00002100606635
                   +1 :              -0.00005546977888
                3s
                   +0 :              -0.00113875155699
                4s
                   +0 :               0.00032310941366
                3p
                   -1 :               0.00030033367007
                   +0 :               0.00008425337015
                   +1 :               0.00037571516163
                4p
                   -1 :              -0.00006685191692
                   +0 :               0.00003390442493
                   +1 :              -0.00011567007491
                3d
                   -2 :              -0.00001632942229
                   -1 :              -0.00003740433601
                   +0 :              -0.00003577002159
                   +1 :               0.00001074610990
                   +2 :               0.00000787169617
             11 vec=    -4.976970     14.851799     -1.580534   |vec|=   15.743070
                2s
                   +0 :               0.00009118572430
                2p
                   -1 :               0.00005655553618
                   +0 :              -0.00003739532297
                   +1 :              -0.00005451828733
                3s
                   +0 :              -0.00027019687727
                4s
                   +0 :               0.00011185894274
                3p
                   -1 :              -0.00026823343246
                   +0 :               0.00022634391921
                   +1 :               0.00016370905886
                4p
                   -1 :               0.00005276468288
                   +0 :              -0.00005843784584
                   +1 :              -0.00002204058376
                3d
                   -2 :              -0.00000492464460
                   -1 :               0.00009637445250
                   +0 :               0.00005406738014
                   +1 :               0.00000295459019
                   +2 :               0.00006769064336
             12 vec=    10.583355    -12.099475     -1.580534   |vec|=   16.152486
                2s
                   +0 :              -0.00007180858581
                2p
                   -1 :               0.00002126648452
                   +0 :              -0.00001022275237
                   +1 :               0.00001763913521
                3s
                   +0 :               0.00034945828634
                4s
                   +0 :              -0.00004464877286
                3p
                   -1 :              -0.00014751448806
                   +0 :              -0.00002123234322
                   +1 :              -0.00019739998167
                4p
                   -1 :               0.00001683282744
                   +0 :              -0.00000637299685
                   +1 :               0.00006398326107
                3d
                   -2 :               0.00003582683861
                   -1 :               0.00003346010462
                   +0 :               0.00000160674990
                   +1 :               0.00003844138331
                   +2 :              -0.00006958183562
             13 vec=   -12.757133     10.359920     -1.580534   |vec|=   16.509708
                2s
                   +0 :               0.00011626741509
                2p
                   -1 :               0.00000117638423
                   +0 :              -0.00000759287848
                   +1 :              -0.00004068976171
                3s
                   +0 :              -0.00057641496416
                4s
                   +0 :               0.00009005858237
                3p
                   -1 :              -0.00004982792876
                   +0 :               0.00014423207936
                   +1 :               0.00027517087863
                4p
                   -1 :               0.00000858202249
                   +0 :               0.00001339374699
                   +1 :              -0.00002183190248
                3d
                   -2 :               0.00002534525199
                   -1 :               0.00000159412727
                   +0 :              -0.00000011860203
                   +1 :              -0.00009875255634
                   +2 :              -0.00002024047828
             14 vec=     2.803193    -16.591354     -1.580534   |vec|=   16.900562
                2s
                   +0 :               0.00003194660375
                2p
                   -1 :              -0.00000834734418
                   +0 :              -0.00000900725518
                   +1 :              -0.00003447397034
                3s
                   +0 :              -0.00003740573542
                4s
                   +0 :              -0.00001137283721
                3p
                   -1 :              -0.00001528928033
                   +0 :               0.00003328811789
                   +1 :               0.00021965185426
                4p
                   -1 :               0.00002403812369
                   +0 :              -0.00000796354020
                   +1 :              -0.00003577038734
                3d
                   -2 :              -0.00005373912860
                   -1 :              -0.00001834143765
                   +0 :               0.00000604939586
                   +1 :              -0.00004695499908
                   +2 :              -0.00000285346233
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al(  5)  npairs=  14
              1 vec=     0.209805     -3.115717     -5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00023420143803
                2p
                   -1 :               0.00007877136230
                   +0 :              -0.00034360149509
                   +1 :               0.00075638801225
                3s
                   +0 :              -0.00117856520492
                4s
                   +0 :               0.00176177335718
                3p
                   -1 :               0.00071273627344
                   +0 :               0.00319807985607
                   +1 :              -0.00417677838211
                4p
                   -1 :              -0.00097387524107
                   +0 :              -0.00124131990835
                   +1 :               0.00088465642168
                3d
                   -2 :              -0.00121196248857
                   -1 :              -0.00025941829697
                   +0 :              -0.00022373131931
                   +1 :              -0.00220821707244
                   +2 :               0.00055735215377
              2 vec=     0.209805      5.868041     -5.671873   |vec|=    8.163827
                2s
                   +0 :               0.00045167968793
                2p
                   -1 :              -0.00001304095177
                   +0 :              -0.00059395433199
                   +1 :              -0.00082084209710
                3s
                   +0 :               0.00051260874524
                4s
                   +0 :              -0.00089741267090
                3p
                   -1 :               0.00165002177005
                   +0 :               0.00338884215887
                   +1 :               0.00600163463928
                4p
                   -1 :              -0.00037790356317
                   +0 :              -0.00072897478853
                   +1 :              -0.00145486973825
                3d
                   -2 :               0.00151632100811
                   -1 :               0.00081695239555
                   +0 :              -0.00060057985180
                   +1 :              -0.00114975403136
                   +2 :              -0.00042692941254
              3 vec=    -7.570358      1.376162     -5.671873   |vec|=    9.558990
                2s
                   +0 :              -0.00061829913392
                2p
                   -1 :               0.00091565309526
                   +0 :               0.00048785922195
                   +1 :              -0.00008245665192
                3s
                   +0 :               0.00084609818881
                4s
                   +0 :              -0.00002457079538
                3p
                   -1 :              -0.00506304333818
                   +0 :              -0.00125794324517
                   +1 :               0.00073280583232
                4p
                   -1 :               0.00118941018410
                   +0 :               0.00023515884105
                   +1 :              -0.00035726706940
                3d
                   -2 :               0.00046456107067
                   -1 :               0.00075630913664
                   +0 :              -0.00042197573692
                   +1 :              -0.00013530923081
                   +2 :              -0.00039054652289
              4 vec=     7.989968      1.376162     -5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00246317620972
                2p
                   -1 :              -0.00139443125922
                   +0 :               0.00007141291163
                   +1 :               0.00125552662173
                3s
                   +0 :              -0.00671022868122
                4s
                   +0 :               0.00180915151754
                3p
                   -1 :               0.00668152425536
                   +0 :              -0.00193072025686
                   +1 :              -0.00522549859360
                4p
                   -1 :              -0.00126556008607
                   +0 :               0.00122349002383
                   +1 :               0.00103397673291
                3d
                   -2 :               0.00141945958452
                   -1 :              -0.00071976653529
                   +0 :               0.00093449103888
                   +1 :              -0.00005812192062
                   +2 :              -0.00026402285644
              5 vec=    -7.570358     -7.607596     -5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00023673033873
                2p
                   -1 :               0.00017673729765
                   +0 :               0.00016306089058
                   +1 :               0.00016849245462
                3s
                   +0 :               0.00070758492649
                4s
                   +0 :              -0.00049135995043
                3p
                   -1 :              -0.00120780281949
                   +0 :              -0.00027463770582
                   +1 :              -0.00073089664468
                4p
                   -1 :               0.00042772733057
                   +0 :               0.00011419599053
                   +1 :               0.00029461088302
                3d
                   -2 :               0.00018037573802
                   -1 :               0.00008367084917
                   +0 :              -0.00010486779045
                   +1 :               0.00004133335961
                   +2 :              -0.00009397446919
              6 vec=     7.989968     -7.607596     -5.671873   |vec|=   12.405049
                2s
                   +0 :               0.00018895204136
                2p
                   -1 :              -0.00013418790732
                   +0 :              -0.00008943281610
                   +1 :               0.00016713094908
                3s
                   +0 :              -0.00020652871758
                4s
                   +0 :               0.00013939619527
                3p
                   -1 :               0.00058514265370
                   +0 :               0.00013608904382
                   +1 :              -0.00021593174854
                4p
                   -1 :              -0.00011082555788
                   +0 :               0.00002977685806
                   +1 :               0.00007371078001
                3d
                   -2 :               0.00025327334096
                   -1 :              -0.00022041217709
                   +0 :              -0.00003514598430
                   +1 :               0.00012221586347
                   +2 :               0.00010990247345
              7 vec=     0.209805    -12.099475     -5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00001793229202
                2p
                   -1 :               0.00000928582234
                   +0 :              -0.00005375985198
                   +1 :              -0.00001164429512
                3s
                   +0 :              -0.00004838343488
                4s
                   +0 :              -0.00002406163378
                3p
                   -1 :              -0.00004604893604
                   +0 :               0.00017804858387
                   +1 :              -0.00002383502669
                4p
                   -1 :               0.00003871585244
                   +0 :               0.00002632561536
                   +1 :              -0.00000904912212
                3d
                   -2 :               0.00009572321653
                   -1 :              -0.00004299004552
                   +0 :               0.00000599914344
                   +1 :               0.00005416222631
                   +2 :              -0.00002088323170
              8 vec=    -7.570358     10.359920     -5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00048216334261
                2p
                   -1 :              -0.00020118480405
                   +0 :               0.00011429559297
                   +1 :              -0.00005364424076
                3s
                   +0 :               0.00112753699826
                4s
                   +0 :              -0.00019238309585
                3p
                   -1 :               0.00054306031661
                   +0 :              -0.00046910495410
                   +1 :               0.00036346810589
                4p
                   -1 :              -0.00002486065814
                   +0 :               0.00013736219840
                   +1 :              -0.00015576589481
                3d
                   -2 :               0.00002974223945
                   -1 :              -0.00020995075144
                   +0 :              -0.00002566014570
                   +1 :              -0.00005614614905
                   +2 :              -0.00009794863451
              9 vec=     7.989968     10.359920     -5.671873   |vec|=   14.259652
                2s
                   +0 :               0.00007330845899
                2p
                   -1 :               0.00004333033776
                   +0 :              -0.00005114071714
                   +1 :               0.00011050098485
                3s
                   +0 :              -0.00039276815605
                4s
                   +0 :               0.00022677081174
                3p
                   -1 :              -0.00027289009387
                   +0 :               0.00015000409938
                   +1 :              -0.00074247507588
                4p
                   -1 :               0.00011524090805
                   +0 :              -0.00005032450468
                   +1 :               0.00022820298115
                3d
                   -2 :              -0.00000799933317
                   -1 :              -0.00003932429559
                   +0 :               0.00012168236646
                   +1 :               0.00010712038281
                   +2 :              -0.00002929481720
             10 vec=     0.209805     14.851799     -5.671873   |vec|=   15.899374
                2s
                   +0 :               0.00007634241385
                2p
                   -1 :               0.00005933332330
                   +0 :              -0.00005440820991
                   +1 :               0.00002190492825
                3s
                   +0 :              -0.00025112849188
                4s
                   +0 :               0.00003321707948
                3p
                   -1 :              -0.00034562577371
                   +0 :               0.00024999392580
                   +1 :              -0.00011340722332
                4p
                   -1 :               0.00005889700150
                   +0 :              -0.00005383175192
                   +1 :               0.00002824421709
                3d
                   -2 :              -0.00001422800385
                   -1 :               0.00005617497438
                   +0 :               0.00004348597653
                   +1 :               0.00005053313310
                   +2 :               0.00009539963365
             11 vec=   -15.350520     -3.115717     -5.671873   |vec|=   16.658821
                2s
                   +0 :              -0.00007491377565
                2p
                   -1 :               0.00001575338882
                   +0 :               0.00004339036327
                   +1 :               0.00004875218597
                3s
                   +0 :               0.00003459504200
                4s
                   +0 :              -0.00002121970978
                3p
                   -1 :               0.00000615379035
                   +0 :              -0.00018507906563
                   +1 :              -0.00011879114567
                4p
                   -1 :              -0.00000184060296
                   +0 :               0.00002114040388
                   +1 :               0.00002532271388
                3d
                   -2 :               0.00003071847303
                   -1 :               0.00003000725582
                   +0 :               0.00001652594826
                   +1 :               0.00009803303314
                   +2 :               0.00004079028441
             12 vec=    15.770130     -3.115717     -5.671873   |vec|=   17.046256
                2s
                   +0 :               0.00015119303561
                2p
                   -1 :              -0.00006749385524
                   +0 :              -0.00004773823105
                   +1 :               0.00008686211545
                3s
                   +0 :              -0.00047792485299
                4s
                   +0 :               0.00019021936349
                3p
                   -1 :               0.00031335271456
                   +0 :               0.00022050194573
                   +1 :              -0.00047275626850
                4p
                   -1 :              -0.00006346563994
                   +0 :              -0.00005037303283
                   +1 :               0.00013250746458
                3d
                   -2 :               0.00009583743017
                   -1 :              -0.00008118953597
                   +0 :               0.00000167034295
                   +1 :               0.00011713324466
                   +2 :              -0.00003578671117
             13 vec=   -15.350520      5.868041     -5.671873   |vec|=   17.385124
                2s
                   +0 :               0.00002496634834
                2p
                   -1 :              -0.00000724179331
                   +0 :               0.00002041122881
                   +1 :              -0.00003652004283
                3s
                   +0 :              -0.00012908472676
                4s
                   +0 :               0.00005279472192
                3p
                   -1 :               0.00005533687534
                   +0 :              -0.00003423126189
                   +1 :               0.00018448550649
                4p
                   -1 :              -0.00001705570782
                   +0 :              -0.00001630064790
                   +1 :              -0.00005617668654
                3d
                   -2 :               0.00001089281037
                   -1 :              -0.00000953062088
                   +0 :              -0.00002863194310
                   +1 :              -0.00001307638776
                   +2 :              -0.00001473092634
             14 vec=    15.770130      5.868041     -5.671873   |vec|=   17.756719
                2s
                   +0 :              -0.00002150549948
                2p
                   -1 :              -0.00000523733281
                   +0 :               0.00001509449889
                   +1 :               0.00000394246632
                3s
                   +0 :               0.00015514956898
                4s
                   +0 :              -0.00005183736525
                3p
                   -1 :              -0.00001032993366
                   +0 :              -0.00001087511507
                   +1 :               0.00004533891192
                4p
                   -1 :               0.00003047722860
                   +0 :              -0.00003332870415
                   +1 :              -0.00002254684493
                3d
                   -2 :               0.00000928808656
                   -1 :              -0.00004612239977
                   +0 :              -0.00000137143179
                   +1 :               0.00001951006391
                   +2 :              -0.00007273144761
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al(  6)  npairs=  14
              1 vec=     0.209805     -3.115717      1.580453   |vec|=    3.499934
                2s
                   +0 :               0.00154724488784
                2p
                   -1 :              -0.00286863717245
                   +0 :               0.00186865293625
                   +1 :              -0.00759703702056
                3s
                   +0 :               0.02031275282817
                4s
                   +0 :              -0.00371386820583
                3p
                   -1 :              -0.01647599301641
                   +0 :               0.00182887314041
                   +1 :              -0.03848872560699
                4p
                   -1 :               0.00016124571894
                   +0 :               0.00073023362823
                   +1 :              -0.00164639640261
                3d
                   -2 :               0.03225052509510
                   -1 :              -0.00605853512171
                   +0 :              -0.00170249244445
                   +1 :              -0.01773624385635
                   +2 :              -0.00978560987446
              2 vec=     0.209805      5.868041      1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00113661437911
                2p
                   -1 :               0.00171858044639
                   +0 :              -0.00087386606510
                   +1 :               0.00065381879919
                3s
                   +0 :              -0.00619872433903
                4s
                   +0 :               0.00194676407300
                3p
                   -1 :              -0.00551338524242
                   +0 :               0.00578180626885
                   +1 :              -0.00320286587890
                4p
                   -1 :               0.00212891328386
                   +0 :              -0.00197598008396
                   +1 :               0.00195405459448
                3d
                   -2 :               0.00249283598775
                   -1 :               0.00120318531390
                   +0 :              -0.00019628109402
                   +1 :               0.00012658488903
                   +2 :              -0.00193755209962
              3 vec=    -7.570358      1.376162      1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00004822805005
                2p
                   -1 :              -0.00012881388958
                   +0 :               0.00017860805253
                   +1 :              -0.00064338963852
                3s
                   +0 :              -0.01554906185079
                4s
                   +0 :               0.00029784648962
                3p
                   -1 :              -0.00723003841887
                   +0 :              -0.01140492500129
                   +1 :               0.00620839800930
                4p
                   -1 :              -0.00030110307794
                   +0 :               0.00058163316458
                   +1 :              -0.00018385352810
                3d
                   -2 :               0.00338081455294
                   -1 :              -0.00304031191827
                   +0 :              -0.00121262842456
                   +1 :               0.00360103795001
                   +2 :               0.00129491793067
              4 vec=     7.989968      1.376162      1.580453   |vec|=    8.260220
                2s
                   +0 :              -0.00039028636835
                2p
                   -1 :              -0.00074867032351
                   +0 :              -0.00036104393729
                   +1 :               0.00117013564709
                3s
                   +0 :               0.00851088117293
                4s
                   +0 :              -0.00099228652438
                3p
                   -1 :               0.01015151855772
                   +0 :               0.00816261921474
                   +1 :              -0.00576667342149
                4p
                   -1 :              -0.00129622006064
                   +0 :              -0.00113341002026
                   +1 :               0.00134098467421
                3d
                   -2 :               0.00111434643020
                   -1 :               0.00412607536839
                   +0 :               0.00129528714900
                   +1 :               0.00095368839925
                   +2 :              -0.00405369405999
              5 vec=    -7.570358     -7.607596      1.580453   |vec|=   10.848210
                2s
                   +0 :               0.00025348717453
                2p
                   -1 :              -0.00022215071172
                   +0 :               0.00004430923958
                   +1 :               0.00013550147487
                3s
                   +0 :              -0.00238423625758
                4s
                   +0 :               0.00029230922385
                3p
                   -1 :               0.00202464503669
                   +0 :              -0.00084260417657
                   +1 :              -0.00060519143450
                4p
                   -1 :              -0.00026371911555
                   +0 :               0.00004759734383
                   +1 :               0.00008470944621
                3d
                   -2 :               0.00013270172592
                   -1 :               0.00039322948192
                   +0 :               0.00005601745246
                   +1 :              -0.00001731246204
                   +2 :               0.00039622691600
              6 vec=     7.989968     -7.607596      1.580453   |vec|=   11.145086
                2s
                   +0 :              -0.00051486889593
                2p
                   -1 :               0.00001756151145
                   +0 :               0.00004724118218
                   +1 :              -0.00024479459422
                3s
                   +0 :               0.00365458731396
                4s
                   +0 :              -0.00077704689501
                3p
                   -1 :              -0.00158451612385
                   +0 :               0.00073337281748
                   +1 :               0.00189108454398
                4p
                   -1 :               0.00007515479975
                   +0 :              -0.00008245598426
                   +1 :              -0.00046995850556
                3d
                   -2 :              -0.00042028546372
                   -1 :              -0.00043585001681
                   +0 :              -0.00000848796589
                   +1 :              -0.00002291958681
                   +2 :               0.00009823746343
              7 vec=     0.209805    -12.099475      1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00032611707052
                2p
                   -1 :               0.00019732349010
                   +0 :              -0.00012759931457
                   +1 :               0.00012528228416
                3s
                   +0 :               0.00066106355727
                4s
                   +0 :              -0.00023636730519
                3p
                   -1 :              -0.00065446763463
                   +0 :               0.00039107495652
                   +1 :              -0.00031135732666
                4p
                   -1 :               0.00018538833873
                   +0 :              -0.00007010422683
                   +1 :               0.00014996238241
                3d
                   -2 :              -0.00024064624675
                   -1 :              -0.00007139256251
                   +0 :              -0.00006362211540
                   +1 :               0.00007903026061
                   +2 :              -0.00008818588102
              8 vec=    -7.570358     10.359920      1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00008729561500
                2p
                   -1 :              -0.00015242229721
                   +0 :               0.00000614623617
                   +1 :               0.00008954823018
                3s
                   +0 :              -0.00128754264090
                4s
                   +0 :               0.00012734239220
                3p
                   -1 :               0.00077531646168
                   +0 :              -0.00095459408601
                   +1 :               0.00042816395432
                4p
                   -1 :              -0.00015179886158
                   +0 :               0.00012188518362
                   +1 :               0.00011870978695
                3d
                   -2 :              -0.00021873703129
                   -1 :              -0.00001642202580
                   +0 :              -0.00009534249549
                   +1 :               0.00043792115850
                   +2 :              -0.00024022049487
              9 vec=     7.989968     10.359920      1.580453   |vec|=   13.178215
                2s
                   +0 :              -0.00020256229564
                2p
                   -1 :              -0.00008869264279
                   +0 :              -0.00011390858054
                   +1 :               0.00010039735206
                3s
                   +0 :               0.00218670641675
                4s
                   +0 :              -0.00013750743654
                3p
                   -1 :               0.00067834917613
                   +0 :               0.00189190992925
                   +1 :               0.00071231109124
                4p
                   -1 :              -0.00000552042864
                   +0 :              -0.00030718331435
                   +1 :               0.00013879975622
                3d
                   -2 :               0.00014905192495
                   -1 :               0.00039138156424
                   +0 :               0.00019663990917
                   +1 :               0.00068134156834
                   +2 :               0.00023847302658
             10 vec=     0.209805     14.851799      1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00000175284680
                2p
                   -1 :               0.00004337616415
                   +0 :               0.00001991543652
                   +1 :              -0.00002682404821
                3s
                   +0 :              -0.00016747528887
                4s
                   +0 :               0.00015237432982
                3p
                   -1 :              -0.00040613526554
                   +0 :              -0.00012472118586
                   +1 :              -0.00002063826123
                4p
                   -1 :               0.00015833069998
                   +0 :               0.00002626337545
                   +1 :              -0.00004016785286
                3d
                   -2 :               0.00004234864000
                   -1 :              -0.00005745999553
                   +0 :               0.00001332839173
                   +1 :              -0.00009321768518
                   +2 :               0.00005634960597
             11 vec=   -15.350520     -3.115717      1.580453   |vec|=   15.743062
                2s
                   +0 :               0.00019860142285
                2p
                   -1 :              -0.00001703786243
                   +0 :               0.00002629103945
                   +1 :              -0.00009724315758
                3s
                   +0 :              -0.00075901219308
                4s
                   +0 :               0.00026067194525
                3p
                   -1 :               0.00020485998268
                   +0 :              -0.00017855201154
                   +1 :               0.00055349181674
                4p
                   -1 :              -0.00006575158437
                   +0 :               0.00006239045535
                   +1 :              -0.00012559613561
                3d
                   -2 :              -0.00013180582991
                   -1 :               0.00002627475474
                   +0 :               0.00007380397968
                   +1 :               0.00005725021116
                   +2 :              -0.00006930970817
             12 vec=    15.770130     -3.115717      1.580453   |vec|=   16.152478
                2s
                   +0 :              -0.00007539548188
                2p
                   -1 :              -0.00002638905182
                   +0 :               0.00002248510245
                   +1 :               0.00000154777694
                3s
                   +0 :               0.00023683036745
                4s
                   +0 :               0.00006281008182
                3p
                   -1 :               0.00020708024733
                   +0 :              -0.00010904899328
                   +1 :              -0.00017063464050
                4p
                   -1 :              -0.00011055823183
                   +0 :               0.00003974182295
                   +1 :               0.00012848388010
                3d
                   -2 :               0.00005403818720
                   -1 :               0.00003496744685
                   +0 :              -0.00001814687594
                   +1 :               0.00000973960158
                   +2 :               0.00002660817093
             13 vec=   -15.350520      5.868041      1.580453   |vec|=   16.509700
                2s
                   +0 :               0.00005765146349
                2p
                   -1 :               0.00001862783350
                   +0 :               0.00003286189754
                   +1 :              -0.00001455082503
                3s
                   +0 :              -0.00023771626711
                4s
                   +0 :               0.00002817232139
                3p
                   -1 :              -0.00008879322681
                   +0 :              -0.00019331457965
                   +1 :               0.00000075089536
                4p
                   -1 :               0.00001884562121
                   +0 :               0.00003443605636
                   +1 :               0.00000146846714
                3d
                   -2 :               0.00000137002112
                   -1 :              -0.00004750699793
                   +0 :              -0.00001467952192
                   +1 :               0.00003186083702
                   +2 :               0.00000436304150
             14 vec=    15.770130      5.868041      1.580453   |vec|=   16.900555
                2s
                   +0 :               0.00001129656651
                2p
                   -1 :               0.00001719367474
                   +0 :               0.00002719659240
                   +1 :              -0.00000344310416
                3s
                   +0 :               0.00024087922335
                4s
                   +0 :              -0.00010606723185
                3p
                   -1 :              -0.00000878278007
                   +0 :              -0.00000938072078
                   +1 :               0.00019974450027
                4p
                   -1 :              -0.00003771271599
                   +0 :               0.00001578267076
                   +1 :              -0.00006562160157
                3d
                   -2 :               0.00000142096324
                   -1 :              -0.00000089166465
                   +0 :              -0.00000030692494
                   +1 :               0.00001697468588
                   +2 :               0.00000057896909
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al(  7)  npairs=  15
              1 vec=     0.209805     -3.115717    -10.693319   |vec|=   11.139963
                2s
                   +0 :              -0.00018925428462
                2p
                   -1 :              -0.00027099583811
                   +0 :               0.00001126899252
                   +1 :               0.00008570915747
                3s
                   +0 :               0.00075854754472
                4s
                   +0 :              -0.00010505126534
                3p
                   -1 :               0.00099271394501
                   +0 :               0.00011107455071
                   +1 :              -0.00093458148873
                4p
                   -1 :              -0.00031172368830
                   +0 :              -0.00018577865205
                   +1 :               0.00008955836968
                3d
                   -2 :              -0.00023060271462
                   -1 :              -0.00007476981198
                   +0 :              -0.00019152987086
                   +1 :               0.00010136243320
                   +2 :              -0.00015912428221
              2 vec=     0.209805      5.868041    -10.693319   |vec|=   12.199385
                2s
                   +0 :              -0.00042975427817
                2p
                   -1 :              -0.00018348736378
                   +0 :               0.00014087151348
                   +1 :              -0.00029256709004
                3s
                   +0 :               0.00117203778555
                4s
                   +0 :              -0.00015037770857
                3p
                   -1 :               0.00076970054284
                   +0 :              -0.00046557065070
                   +1 :               0.00157620835758
                4p
                   -1 :              -0.00010631087739
                   +0 :               0.00001492848008
                   +1 :              -0.00022264041085
                3d
                   -2 :               0.00018390316092
                   -1 :              -0.00013016493800
                   +0 :              -0.00013393758978
                   +1 :              -0.00041892638391
                   +2 :              -0.00002934006936
              3 vec=    -7.570358      1.376162    -10.693319   |vec|=   13.173883
                2s
                   +0 :               0.00024629722332
                2p
                   -1 :              -0.00010140061169
                   +0 :              -0.00005884821907
                   +1 :              -0.00004663944934
                3s
                   +0 :              -0.00167029071145
                4s
                   +0 :               0.00023353538663
                3p
                   -1 :               0.00039160494289
                   +0 :               0.00091939065489
                   +1 :               0.00082252162580
                4p
                   -1 :              -0.00023567753867
                   +0 :              -0.00004882232589
                   +1 :              -0.00005443420700
                3d
                   -2 :              -0.00001497832632
                   -1 :              -0.00003210876243
                   +0 :              -0.00008317867866
                   +1 :              -0.00028583909637
                   +2 :              -0.00015232057642
              4 vec=     7.989968      1.376162    -10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00017130631214
                2p
                   -1 :              -0.00006727686352
                   +0 :              -0.00011572770387
                   +1 :              -0.00004394305155
                3s
                   +0 :               0.00089154101431
                4s
                   +0 :              -0.00018416123943
                3p
                   -1 :               0.00056564122230
                   +0 :              -0.00056793757067
                   +1 :               0.00106598871780
                4p
                   -1 :               0.00003829545440
                   +0 :               0.00013044457983
                   +1 :              -0.00019862342090
                3d
                   -2 :               0.00016874639299
                   -1 :              -0.00031206680619
                   +0 :               0.00021679239888
                   +1 :              -0.00020426840557
                   +2 :               0.00017049345887
              5 vec=     0.209805     -3.115717     13.854224   |vec|=   14.201804
                2s
                   +0 :               0.00000304179372
                2p
                   -1 :               0.00002306290981
                   +0 :               0.00005253231914
                   +1 :               0.00003922768426
                3s
                   +0 :              -0.00010643156810
                4s
                   +0 :               0.00005409682882
                3p
                   -1 :              -0.00014810907711
                   +0 :              -0.00034753358042
                   +1 :              -0.00021068487933
                4p
                   -1 :               0.00005411323076
                   +0 :               0.00012315568435
                   +1 :               0.00002782042875
                3d
                   -2 :               0.00004881247667
                   -1 :              -0.00000700034875
                   +0 :              -0.00004576121720
                   +1 :               0.00001848680344
                   +2 :               0.00004684752195
              6 vec=     0.209805      5.868041     13.854224   |vec|=   15.047174
                2s
                   +0 :              -0.00006373567262
                2p
                   -1 :              -0.00006727333538
                   +0 :               0.00003169230938
                   +1 :               0.00003454034871
                3s
                   +0 :               0.00013333364613
                4s
                   +0 :               0.00002847275924
                3p
                   -1 :               0.00027550301733
                   +0 :              -0.00023010216134
                   +1 :              -0.00014057707883
                4p
                   -1 :              -0.00003101842791
                   +0 :               0.00010981929439
                   +1 :               0.00001142948526
                3d
                   -2 :               0.00000520776035
                   -1 :              -0.00000717723201
                   +0 :              -0.00004240092358
                   +1 :              -0.00003556319986
                   +2 :              -0.00007243873001
              7 vec=    -7.570358     -7.607596    -10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00003796460295
                2p
                   -1 :               0.00002977991409
                   +0 :               0.00000632110191
                   +1 :              -0.00006245980757
                3s
                   +0 :              -0.00042511863559
                4s
                   +0 :               0.00010655998418
                3p
                   -1 :               0.00006444342454
                   +0 :               0.00012292276218
                   +1 :               0.00029662312709
                4p
                   -1 :               0.00000702211238
                   +0 :              -0.00001844191549
                   +1 :              -0.00009664073946
                3d
                   -2 :              -0.00004315209599
                   -1 :              -0.00002745653248
                   +0 :              -0.00003648509919
                   +1 :              -0.00001694813940
                   +2 :               0.00003799071374
              8 vec=     7.989968     -7.607596    -10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00008886598318
                2p
                   -1 :              -0.00000930025939
                   +0 :              -0.00005865275987
                   +1 :               0.00002019021408
                3s
                   +0 :              -0.00006326857123
                4s
                   +0 :               0.00003626096810
                3p
                   -1 :              -0.00018807886927
                   +0 :               0.00023246307285
                   +1 :              -0.00009144108037
                4p
                   -1 :               0.00006044250184
                   +0 :              -0.00007493079736
                   +1 :              -0.00000708568432
                3d
                   -2 :              -0.00001754541916
                   -1 :               0.00002620144542
                   +0 :              -0.00000454993680
                   +1 :               0.00004140749418
                   +2 :              -0.00004729125322
              9 vec=    -7.570358      1.376162     13.854224   |vec|=   15.847513
                2s
                   +0 :              -0.00002737756453
                2p
                   -1 :              -0.00000319513023
                   +0 :               0.00002091041754
                   +1 :               0.00002159015827
                3s
                   +0 :               0.00009338888653
                4s
                   +0 :               0.00001035965448
                3p
                   -1 :               0.00008144927755
                   +0 :              -0.00015352222325
                   +1 :              -0.00006906813274
                4p
                   -1 :               0.00000836691509
                   +0 :               0.00005761858634
                   +1 :               0.00000119083361
                3d
                   -2 :               0.00000173864384
                   -1 :               0.00000461325356
                   +0 :              -0.00005507864033
                   +1 :               0.00002586832312
                   +2 :               0.00002412550436
             10 vec=     7.989968      1.376162     13.854224   |vec|=   16.052194
                2s
                   +0 :              -0.00001929662884
                2p
                   -1 :              -0.00001017349305
                   +0 :               0.00002426854525
                   +1 :               0.00000918902495
                3s
                   +0 :               0.00010668259438
                4s
                   +0 :               0.00000447741068
                3p
                   -1 :               0.00002429091466
                   +0 :              -0.00011422059469
                   +1 :              -0.00006415708570
                4p
                   -1 :              -0.00000722099508
                   +0 :               0.00004291973389
                   +1 :               0.00005193162282
                3d
                   -2 :              -0.00006315110878
                   -1 :               0.00002588348322
                   +0 :              -0.00000983327164
                   +1 :               0.00001291746437
                   +2 :               0.00004866481124
             11 vec=     0.209805    -12.099475    -10.693319   |vec|=   16.148943
                2s
                   +0 :              -0.00003772526319
                2p
                   -1 :               0.00001425559870
                   +0 :               0.00003975002134
                   +1 :               0.00001218721730
                3s
                   +0 :               0.00015911527350
                4s
                   +0 :              -0.00007116017199
                3p
                   -1 :              -0.00006253942558
                   +0 :              -0.00021148914825
                   +1 :              -0.00004299183818
                4p
                   -1 :               0.00001567858678
                   +0 :               0.00006975723177
                   +1 :               0.00001977570345
                3d
                   -2 :               0.00000127324804
                   -1 :               0.00004364592308
                   +0 :               0.00003891856528
                   +1 :               0.00000965307909
                   +2 :               0.00000670123848
             12 vec=    -7.570358     10.359920    -10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00005963956436
                2p
                   -1 :              -0.00004214814393
                   +0 :               0.00006542507144
                   +1 :               0.00001188058959
                3s
                   +0 :               0.00021893502502
                4s
                   +0 :              -0.00013518061597
                3p
                   -1 :               0.00022695723269
                   +0 :              -0.00033761421311
                   +1 :              -0.00002605345972
                4p
                   -1 :              -0.00007732005971
                   +0 :               0.00011205795077
                   +1 :               0.00001802614300
                3d
                   -2 :               0.00000809805035
                   -1 :              -0.00006432173348
                   +0 :               0.00009116097334
                   +1 :               0.00001005332260
                   +2 :              -0.00009314390707
             13 vec=     7.989968     10.359920    -10.693319   |vec|=   16.897177
                2s
                   +0 :              -0.00006565982282
                2p
                   -1 :               0.00003706924723
                   +0 :               0.00002030599135
                   +1 :              -0.00002576056531
                3s
                   +0 :               0.00028034248481
                4s
                   +0 :              -0.00004693395120
                3p
                   -1 :              -0.00027475130348
                   +0 :              -0.00014266330309
                   +1 :               0.00015131152817
                4p
                   -1 :               0.00012875682558
                   +0 :               0.00001941737001
                   +1 :              -0.00002881403513
                3d
                   -2 :              -0.00002279653264
                   -1 :               0.00001182066830
                   +0 :               0.00005413383945
                   +1 :               0.00000502940737
                   +2 :               0.00006704663570
             14 vec=    -7.570358     -7.607596     13.854224   |vec|=   17.524992
                2s
                   +0 :              -0.00000705503133
                2p
                   -1 :               0.00000988266739
                   +0 :              -0.00000197242045
                   +1 :               0.00000252486014
                3s
                   +0 :              -0.00005362453589
                4s
                   +0 :              -0.00002377856525
                3p
                   -1 :              -0.00002919737247
                   +0 :               0.00001736040279
                   +1 :               0.00009338991079
                4p
                   -1 :               0.00001978814110
                   +0 :              -0.00000097827221
                   +1 :               0.00000147686665
                3d
                   -2 :              -0.00002007708880
                   -1 :              -0.00001406900118
                   +0 :               0.00003223399927
                   +1 :               0.00000419252079
                   +2 :              -0.00003061507747
             15 vec=     7.989968     -7.607596     13.854224   |vec|=   17.710297
                2s
                   +0 :              -0.00000068046367
                2p
                   -1 :               0.00000970951564
                   +0 :               0.00001766751728
                   +1 :              -0.00001178865901
                3s
                   +0 :               0.00009867877862
                4s
                   +0 :              -0.00000887251303
                3p
                   -1 :              -0.00010064644224
                   +0 :              -0.00007258150277
                   +1 :               0.00014448234335
                4p
                   -1 :              -0.00000434786783
                   +0 :               0.00001607120657
                   +1 :              -0.00001819902526
                3d
                   -2 :              -0.00003642358870
                   -1 :              -0.00000769566443
                   +0 :              -0.00003331811342
                   +1 :              -0.00001717159381
                   +2 :              -0.00000458895740
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al(  8)  npairs=  13
              1 vec=     0.209805     -3.115717      6.601898   |vec|=    7.303202
                2s
                   +0 :              -0.00305987869304
                2p
                   -1 :               0.00075879654950
                   +0 :              -0.00120962987450
                   +1 :               0.00050011298939
                3s
                   +0 :               0.00958862467506
                4s
                   +0 :              -0.00353964790724
                3p
                   -1 :              -0.00256290267509
                   +0 :               0.00539277854711
                   +1 :              -0.00864332358465
                4p
                   -1 :               0.00019404487636
                   +0 :              -0.00137085480732
                   +1 :               0.00082832379569
                3d
                   -2 :               0.00147109112780
                   -1 :              -0.00058794652560
                   +0 :               0.00019893536391
                   +1 :              -0.00206393251353
                   +2 :               0.00054120552576
              2 vec=     0.209805      5.868041      6.601898   |vec|=    8.835326
                2s
                   +0 :              -0.00060587167321
                2p
                   -1 :              -0.00045782976206
                   +0 :              -0.00013208351590
                   +1 :              -0.00080961730315
                3s
                   +0 :               0.00500763230607
                4s
                   +0 :              -0.00224889594057
                3p
                   -1 :               0.00440626053216
                   +0 :               0.00247502017841
                   +1 :               0.00464368135507
                4p
                   -1 :              -0.00134270075254
                   +0 :              -0.00089145673474
                   +1 :              -0.00159465334359
                3d
                   -2 :               0.00168154489161
                   -1 :               0.00074520470493
                   +0 :               0.00021437628187
                   +1 :               0.00063005997565
                   +2 :              -0.00100204334492
              3 vec=    -7.570358      1.376162      6.601898   |vec|=   10.138500
                2s
                   +0 :               0.00008669216587
                2p
                   -1 :               0.00028114469071
                   +0 :              -0.00017194351288
                   +1 :              -0.00039555987617
                3s
                   +0 :              -0.00212770015534
                4s
                   +0 :               0.00103260839554
                3p
                   -1 :              -0.00223033382744
                   +0 :               0.00034621595843
                   +1 :               0.00286796899239
                4p
                   -1 :               0.00028597388196
                   +0 :               0.00014954137326
                   +1 :              -0.00109084967488
                3d
                   -2 :               0.00031493432445
                   -1 :              -0.00053409372925
                   +0 :               0.00015442872346
                   +1 :               0.00013346700902
                   +2 :              -0.00055577111955
              4 vec=     7.989968      1.376162      6.601898   |vec|=   10.455547
                2s
                   +0 :              -0.00171691061550
                2p
                   -1 :               0.00027299743721
                   +0 :              -0.00056787968425
                   +1 :              -0.00059848046604
                3s
                   +0 :               0.00686719615982
                4s
                   +0 :              -0.00223032812333
                3p
                   -1 :              -0.00098479705274
                   +0 :               0.00344956025786
                   +1 :               0.00306995954909
                4p
                   -1 :               0.00037183154575
                   +0 :              -0.00098073020734
                   +1 :              -0.00063685202550
                3d
                   -2 :              -0.00040680220098
                   -1 :               0.00000016831394
                   +0 :               0.00052354783947
                   +1 :               0.00038208802821
                   +2 :               0.00043242590212
              5 vec=    -7.570358     -7.607596      6.601898   |vec|=   12.600432
                2s
                   +0 :              -0.00043747502375
                2p
                   -1 :               0.00007520163735
                   +0 :              -0.00017870953498
                   +1 :               0.00022474257540
                3s
                   +0 :               0.00129746869598
                4s
                   +0 :              -0.00055040816606
                3p
                   -1 :              -0.00033293603893
                   +0 :               0.00088920445524
                   +1 :              -0.00108754307081
                4p
                   -1 :               0.00002989700264
                   +0 :              -0.00026167426700
                   +1 :               0.00029200145468
                3d
                   -2 :               0.00008124838066
                   -1 :              -0.00015176457788
                   +0 :               0.00007824915949
                   +1 :              -0.00020716880700
                   +2 :               0.00000878175436
              6 vec=     7.989968     -7.607596      6.601898   |vec|=   12.856911
                2s
                   +0 :              -0.00021570776727
                2p
                   -1 :               0.00002293174238
                   +0 :              -0.00009389365203
                   +1 :               0.00002619151224
                3s
                   +0 :               0.00133305300008
                4s
                   +0 :              -0.00031430168948
                3p
                   -1 :              -0.00017437576537
                   +0 :               0.00087559507743
                   +1 :               0.00017264890280
                4p
                   -1 :               0.00001146450481
                   +0 :              -0.00018678115777
                   +1 :               0.00001934153375
                3d
                   -2 :              -0.00007380578008
                   -1 :              -0.00014997368410
                   +0 :               0.00021890242708
                   +1 :               0.00023422340009
                   +2 :              -0.00007996183940
              7 vec=     0.209805    -12.099475      6.601898   |vec|=   13.785005
                2s
                   +0 :               0.00000281347026
                2p
                   -1 :              -0.00000306988273
                   +0 :               0.00001243015579
                   +1 :               0.00007151281159
                3s
                   +0 :               0.00013288804951
                4s
                   +0 :              -0.00007967780034
                3p
                   -1 :              -0.00011287705261
                   +0 :              -0.00005008850371
                   +1 :              -0.00032503559258
                4p
                   -1 :               0.00003612120625
                   +0 :               0.00000201671838
                   +1 :               0.00008508757435
                3d
                   -2 :              -0.00002798300628
                   -1 :              -0.00001004752638
                   +0 :              -0.00002043016125
                   +1 :              -0.00016970515602
                   +2 :              -0.00005114102404
              8 vec=    -7.570358     10.359920      6.601898   |vec|=   14.429945
                2s
                   +0 :               0.00014973882420
                2p
                   -1 :               0.00002674157471
                   +0 :               0.00006258669187
                   +1 :              -0.00003617972554
                3s
                   +0 :              -0.00054135312255
                4s
                   +0 :               0.00003355472577
                3p
                   -1 :              -0.00007099140525
                   +0 :              -0.00037075584555
                   +1 :               0.00005163383204
                4p
                   -1 :              -0.00010007030835
                   +0 :               0.00005103276813
                   +1 :               0.00005965859277
                3d
                   -2 :               0.00006077283747
                   -1 :               0.00002125895820
                   +0 :              -0.00004221520961
                   +1 :               0.00000205537470
                   +2 :               0.00006480553722
              9 vec=     7.989968     10.359920      6.601898   |vec|=   14.654439
                2s
                   +0 :               0.00005946493616
                2p
                   -1 :               0.00003926749356
                   +0 :               0.00003881426622
                   +1 :              -0.00005363893181
                3s
                   +0 :              -0.00009946674881
                4s
                   +0 :               0.00001653624866
                3p
                   -1 :              -0.00020162758621
                   +0 :              -0.00006380112487
                   +1 :               0.00028658652681
                4p
                   -1 :               0.00003597831361
                   +0 :              -0.00003508485340
                   +1 :              -0.00005528250681
                3d
                   -2 :               0.00011110078146
                   -1 :              -0.00003898339901
                   +0 :               0.00007180007910
                   +1 :              -0.00003131077988
                   +2 :               0.00009964275268
             10 vec=     0.209805     14.851799      6.601898   |vec|=   16.254384
                2s
                   +0 :              -0.00003302903900
                2p
                   -1 :              -0.00002148007692
                   +0 :              -0.00000597812692
                   +1 :              -0.00001948957408
                3s
                   +0 :               0.00013423574363
                4s
                   +0 :              -0.00006300693248
                3p
                   -1 :               0.00012942140845
                   +0 :               0.00003248055031
                   +1 :               0.00009951984706
                4p
                   -1 :              -0.00005591200582
                   +0 :              -0.00002662018306
                   +1 :              -0.00001635178017
                3d
                   -2 :               0.00006801952353
                   -1 :              -0.00001819157606
                   +0 :               0.00000378674959
                   +1 :               0.00004109505718
                   +2 :              -0.00000546297231
             11 vec=   -15.350520     -3.115717      6.601898   |vec|=   16.997977
                2s
                   +0 :               0.00012840118112
                2p
                   -1 :              -0.00000261661959
                   +0 :               0.00003612417207
                   +1 :              -0.00002109261950
                3s
                   +0 :              -0.00076437818474
                4s
                   +0 :               0.00017141238461
                3p
                   -1 :               0.00008853759912
                   +0 :              -0.00033977478664
                   +1 :               0.00023924483795
                4p
                   -1 :              -0.00000433513356
                   +0 :               0.00005752335943
                   +1 :              -0.00002733975544
                3d
                   -2 :              -0.00001492762179
                   -1 :               0.00003582712143
                   +0 :              -0.00005693707516
                   +1 :               0.00008885641410
                   +2 :              -0.00004522426448
             12 vec=    15.770130     -3.115717      6.601898   |vec|=   17.377853
                2s
                   +0 :               0.00002684858533
                2p
                   -1 :               0.00000708813431
                   +0 :               0.00000525737637
                   +1 :               0.00005178035810
                3s
                   +0 :               0.00013834153519
                4s
                   +0 :              -0.00001132371445
                3p
                   -1 :              -0.00010242987473
                   +0 :               0.00008034594133
                   +1 :              -0.00015182980124
                4p
                   -1 :               0.00002790672249
                   +0 :              -0.00000579220536
                   +1 :               0.00002797746136
                3d
                   -2 :              -0.00003332937250
                   -1 :              -0.00002962568128
                   +0 :               0.00000203448722
                   +1 :              -0.00002546587662
                   +2 :              -0.00003614096622
             13 vec=   -15.350520      5.868041      6.601898   |vec|=   17.710376
                2s
                   +0 :               0.00006839757295
                2p
                   -1 :               0.00003632588023
                   +0 :               0.00000620498180
                   +1 :              -0.00000977205707
                3s
                   +0 :              -0.00035788088735
                4s
                   +0 :               0.00011417613058
                3p
                   -1 :              -0.00019267854568
                   +0 :              -0.00004942559707
                   +1 :               0.00008955070435
                4p
                   -1 :               0.00004969389648
                   +0 :               0.00002080847516
                   +1 :              -0.00002028579564
                3d
                   -2 :               0.00001298534300
                   -1 :              -0.00001528902684
                   +0 :              -0.00001445954641
                   +1 :              -0.00002164565352
                   +2 :              -0.00001141234599
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al(  9)  npairs=  14
              1 vec=    -2.383582      1.376162      2.510804   |vec|=    3.725510
                2s
                   +0 :              -0.01828043704361
                2p
                   -1 :              -0.00965985884287
                   +0 :              -0.01821709465385
                   +1 :               0.01712653553682
                3s
                   +0 :              -0.05559117621904
                4s
                   +0 :              -0.00622666235663
                3p
                   -1 :              -0.03227963528779
                   +0 :              -0.05378691817041
                   +1 :               0.00797836823893
                4p
                   -1 :              -0.00083200423629
                   +0 :              -0.00634296788827
                   +1 :               0.01090820930318
                3d
                   -2 :               0.01632677894702
                   -1 :              -0.02640462768616
                   +0 :              -0.02080840031521
                   +1 :               0.02692403500592
                   +2 :               0.00448847253533
              2 vec=     5.396580     -3.115717      2.510804   |vec|=    6.718252
                2s
                   +0 :              -0.00010148583229
                2p
                   -1 :              -0.00013727680599
                   +0 :              -0.00039300505456
                   +1 :              -0.00069790343818
                3s
                   +0 :              -0.00678041593929
                4s
                   +0 :              -0.00034065771023
                3p
                   -1 :               0.00573729575380
                   +0 :              -0.00390689405000
                   +1 :              -0.00281752337112
                4p
                   -1 :              -0.00017146125753
                   +0 :               0.00036731472192
                   +1 :              -0.00101658059567
                3d
                   -2 :               0.00148282824264
                   -1 :              -0.00073906810162
                   +0 :              -0.00000331013760
                   +1 :              -0.00086809727685
                   +2 :               0.00109028532678
              3 vec=    -2.383582     -7.607596      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00030307153385
                2p
                   -1 :              -0.00013372306640
                   +0 :               0.00031775018680
                   +1 :              -0.00019371884752
                3s
                   +0 :              -0.00533123101890
                4s
                   +0 :               0.00223904278415
                3p
                   -1 :               0.00284425307434
                   +0 :              -0.00453842066152
                   +1 :               0.00121013445529
                4p
                   -1 :              -0.00127729103503
                   +0 :               0.00085302366924
                   +1 :              -0.00089208114879
                3d
                   -2 :               0.00029942556039
                   -1 :               0.00150104342271
                   +0 :              -0.00038146239170
                   +1 :              -0.00016960159847
                   +2 :              -0.00008396061972
              4 vec=     5.396580      5.868041      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00106409079396
                2p
                   -1 :               0.00115340502797
                   +0 :              -0.00032006061148
                   +1 :               0.00043484743919
                3s
                   +0 :              -0.00080171602690
                4s
                   +0 :               0.00074043310889
                3p
                   -1 :              -0.00616296266347
                   +0 :               0.00445225637016
                   +1 :              -0.00224360039709
                4p
                   -1 :               0.00090467569053
                   +0 :              -0.00038701708667
                   +1 :               0.00135873289244
                3d
                   -2 :              -0.00187716372282
                   -1 :              -0.00040631662043
                   +0 :               0.00259250321770
                   +1 :               0.00142410787318
                   +2 :               0.00160904137787
              5 vec=   -10.163745     -3.115717      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00008224678121
                2p
                   -1 :               0.00010550556328
                   +0 :               0.00003737849192
                   +1 :              -0.00007864985984
                3s
                   +0 :              -0.00065380191878
                4s
                   +0 :               0.00021950100047
                3p
                   -1 :              -0.00000041458093
                   +0 :               0.00004588949889
                   +1 :               0.00019217080068
                4p
                   -1 :              -0.00007116108031
                   +0 :              -0.00001240863615
                   +1 :              -0.00013728358586
                3d
                   -2 :               0.00011161012637
                   -1 :               0.00029287103829
                   +0 :               0.00019444754477
                   +1 :               0.00009122790334
                   +2 :              -0.00009320343025
              6 vec=    -2.383582     10.359920      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00001916836546
                2p
                   -1 :               0.00023960992179
                   +0 :               0.00016599590649
                   +1 :              -0.00002897254117
                3s
                   +0 :               0.00033830372438
                4s
                   +0 :               0.00033393858298
                3p
                   -1 :              -0.00095141096224
                   +0 :              -0.00084040019456
                   +1 :               0.00004101147890
                4p
                   -1 :               0.00049257740480
                   +0 :               0.00042028268161
                   +1 :              -0.00001260838303
                3d
                   -2 :               0.00004545365601
                   -1 :              -0.00011818411742
                   +0 :               0.00026821695041
                   +1 :              -0.00029892224466
                   +2 :               0.00026767491824
              7 vec=   -10.163745      5.868041      2.510804   |vec|=   12.001657
                2s
                   +0 :              -0.00027241641009
                2p
                   -1 :               0.00005080027702
                   +0 :              -0.00022391601754
                   +1 :               0.00017461916593
                3s
                   +0 :               0.00044931275701
                4s
                   +0 :              -0.00051986720167
                3p
                   -1 :              -0.00002400539889
                   +0 :               0.00032507498482
                   +1 :              -0.00053959993686
                4p
                   -1 :              -0.00011174335135
                   +0 :              -0.00015991660371
                   +1 :               0.00030612073312
                3d
                   -2 :               0.00013615569042
                   -1 :               0.00005828769829
                   +0 :              -0.00011375025184
                   +1 :               0.00011951666013
                   +2 :               0.00008126071185
              8 vec=     5.396580    -12.099475      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00014485355711
                2p
                   -1 :              -0.00013097975928
                   +0 :               0.00008805485163
                   +1 :              -0.00002503253830
                3s
                   +0 :              -0.00005359300151
                4s
                   +0 :               0.00019160763135
                3p
                   -1 :               0.00032383557333
                   +0 :               0.00005885300642
                   +1 :               0.00006584636665
                4p
                   -1 :              -0.00013121706348
                   +0 :               0.00011356297207
                   +1 :              -0.00004317950488
                3d
                   -2 :               0.00007448671254
                   -1 :              -0.00011520710474
                   +0 :               0.00018642326015
                   +1 :              -0.00007651546512
                   +2 :               0.00000370834572
              9 vec=    13.176743      1.376162      2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00016499901849
                2p
                   -1 :              -0.00016797858667
                   +0 :              -0.00002907006283
                   +1 :              -0.00002049998276
                3s
                   +0 :               0.00169676014615
                4s
                   +0 :              -0.00038284529615
                3p
                   -1 :               0.00148471220957
                   +0 :               0.00109666810698
                   +1 :               0.00052998180880
                4p
                   -1 :              -0.00033659741177
                   +0 :              -0.00007317380440
                   +1 :              -0.00009060297938
                3d
                   -2 :               0.00031706746685
                   -1 :               0.00022343854519
                   +0 :               0.00031865488752
                   +1 :               0.00027628204620
                   +2 :               0.00004216467535
             10 vec=    13.176743     -7.607596      2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00001293754519
                2p
                   -1 :               0.00001395871436
                   +0 :              -0.00004019089924
                   +1 :               0.00000648799776
                3s
                   +0 :               0.00026735311440
                4s
                   +0 :              -0.00009253708836
                3p
                   -1 :              -0.00005629610677
                   +0 :               0.00022782387641
                   +1 :               0.00008405011969
                4p
                   -1 :               0.00001101247239
                   +0 :              -0.00006362978038
                   +1 :              -0.00006451639179
                3d
                   -2 :               0.00001950560524
                   -1 :              -0.00006561826380
                   +0 :              -0.00000664244163
                   +1 :               0.00003426284766
                   +2 :               0.00001427221885
             11 vec=   -10.163745    -12.099475      2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00005543638603
                2p
                   -1 :               0.00002434127591
                   +0 :              -0.00003279539146
                   +1 :              -0.00005904871261
                3s
                   +0 :              -0.00040259468053
                4s
                   +0 :               0.00011836054885
                3p
                   -1 :              -0.00004940032387
                   +0 :               0.00006993379065
                   +1 :               0.00030656533822
                4p
                   -1 :               0.00000614645288
                   +0 :              -0.00000672781204
                   +1 :              -0.00007839340272
                3d
                   -2 :              -0.00000657945511
                   -1 :               0.00001885025918
                   +0 :              -0.00002559519714
                   +1 :              -0.00004346346911
                   +2 :              -0.00002265361803
             12 vec=     5.396580     14.851799      2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00002532568897
                2p
                   -1 :              -0.00003982621749
                   +0 :              -0.00000620341387
                   +1 :              -0.00006478781720
                3s
                   +0 :               0.00006090954147
                4s
                   +0 :              -0.00006195224226
                3p
                   -1 :               0.00017419909522
                   +0 :              -0.00005726998068
                   +1 :               0.00024422544667
                4p
                   -1 :              -0.00006858149411
                   +0 :              -0.00001737995419
                   +1 :              -0.00007030159204
                3d
                   -2 :              -0.00000088385612
                   -1 :               0.00000246054375
                   +0 :              -0.00003340462780
                   +1 :              -0.00002697826335
                   +2 :              -0.00001979058547
             13 vec=    -2.383582    -16.591354      2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00000692609460
                2p
                   -1 :               0.00000485682493
                   +0 :              -0.00000225708058
                   +1 :               0.00000701144348
                3s
                   +0 :               0.00003626966693
                4s
                   +0 :              -0.00003330785970
                3p
                   -1 :              -0.00006774673265
                   +0 :               0.00002035165178
                   +1 :              -0.00007608072996
                4p
                   -1 :               0.00002810250485
                   +0 :              -0.00001701928239
                   +1 :               0.00003915025909
                3d
                   -2 :               0.00002055202323
                   -1 :              -0.00000026397601
                   +0 :              -0.00001994134335
                   +1 :               0.00001393869291
                   +2 :               0.00000285690351
             14 vec=    13.176743     10.359920      2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00005555318435
                2p
                   -1 :               0.00002068056366
                   +0 :               0.00002159179709
                   +1 :               0.00002186200561
                3s
                   +0 :              -0.00014928345608
                4s
                   +0 :               0.00007558923576
                3p
                   -1 :              -0.00005994104411
                   +0 :              -0.00005016622490
                   +1 :              -0.00012475273592
                4p
                   -1 :               0.00001282724082
                   +0 :               0.00002753299808
                   +1 :               0.00003137114966
                3d
                   -2 :              -0.00000322200734
                   -1 :               0.00002500182483
                   +0 :              -0.00002817050735
                   +1 :              -0.00001762073763
                   +2 :               0.00000221791453
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al( 10)  npairs=  13
              1 vec=    -2.383582      1.376162      9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00051401779144
                2p
                   -1 :              -0.00002048109265
                   +0 :               0.00004641921251
                   +1 :              -0.00024503420905
                3s
                   +0 :              -0.00143420348039
                4s
                   +0 :               0.00021586796963
                3p
                   -1 :               0.00026815975146
                   +0 :              -0.00004350504616
                   +1 :               0.00019062595481
                4p
                   -1 :              -0.00009703394797
                   +0 :              -0.00005002135963
                   +1 :              -0.00005946377571
                3d
                   -2 :               0.00032831374799
                   -1 :              -0.00010092322788
                   +0 :               0.00015986904997
                   +1 :              -0.00017499800601
                   +2 :              -0.00023810230619
              2 vec=     5.396580     -3.115717      9.763130   |vec|=   11.582292
                2s
                   +0 :               0.00017990422042
                2p
                   -1 :              -0.00018933545454
                   +0 :              -0.00013748468614
                   +1 :              -0.00002555771599
                3s
                   +0 :              -0.00011299689619
                4s
                   +0 :              -0.00027888738213
                3p
                   -1 :               0.00074690995511
                   +0 :               0.00121543520074
                   +1 :               0.00022281013582
                4p
                   -1 :              -0.00000226108660
                   +0 :              -0.00047178411418
                   +1 :              -0.00002981035754
                3d
                   -2 :              -0.00000857497661
                   -1 :               0.00011790771280
                   +0 :               0.00044836843651
                   +1 :               0.00014587094662
                   +2 :               0.00038564936831
              3 vec=    -2.383582     -7.607596      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00001216082191
                2p
                   -1 :               0.00004669523019
                   +0 :              -0.00000673577729
                   +1 :              -0.00001683499045
                3s
                   +0 :              -0.00116702812131
                4s
                   +0 :               0.00019162907378
                3p
                   -1 :               0.00088519382752
                   +0 :              -0.00033174867586
                   +1 :               0.00012694434463
                4p
                   -1 :              -0.00007720106832
                   +0 :               0.00005936025782
                   +1 :              -0.00003988705829
                3d
                   -2 :              -0.00000042461695
                   -1 :               0.00014820696719
                   +0 :               0.00016800480345
                   +1 :               0.00006752749838
                   +2 :               0.00021463500355
              4 vec=     5.396580      5.868041      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00021576116662
                2p
                   -1 :              -0.00001394971099
                   +0 :               0.00004488879099
                   +1 :               0.00015842967344
                3s
                   +0 :              -0.00035787897700
                4s
                   +0 :              -0.00005400820125
                3p
                   -1 :               0.00019408464351
                   +0 :              -0.00009107580976
                   +1 :              -0.00062107842154
                4p
                   -1 :              -0.00005698667931
                   +0 :              -0.00008744587073
                   +1 :               0.00002930089687
                3d
                   -2 :              -0.00015589186793
                   -1 :              -0.00000183094313
                   +0 :              -0.00000463257147
                   +1 :              -0.00033611649581
                   +2 :              -0.00033029146960
              5 vec=   -10.163745     -3.115717      9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00023724610063
                2p
                   -1 :              -0.00006231215602
                   +0 :               0.00006923333230
                   +1 :              -0.00002133870347
                3s
                   +0 :              -0.00097105634074
                4s
                   +0 :               0.00019596674130
                3p
                   -1 :               0.00017634859645
                   +0 :              -0.00061992947569
                   +1 :               0.00017397024944
                4p
                   -1 :              -0.00005749023084
                   +0 :               0.00008447668515
                   +1 :               0.00000432696372
                3d
                   -2 :               0.00007882331925
                   -1 :              -0.00007643675389
                   +0 :              -0.00004653049155
                   +1 :               0.00013514260230
                   +2 :               0.00004564515933
              6 vec=    -2.383582     10.359920      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00022643140847
                2p
                   -1 :              -0.00000385879167
                   +0 :              -0.00003463268069
                   +1 :               0.00003863357317
                3s
                   +0 :               0.00065623623074
                4s
                   +0 :              -0.00009141874440
                3p
                   -1 :              -0.00011546371922
                   +0 :               0.00012853513097
                   +1 :              -0.00021787484961
                4p
                   -1 :               0.00009847777720
                   +0 :              -0.00000464948705
                   +1 :               0.00004587453762
                3d
                   -2 :              -0.00000835364342
                   -1 :              -0.00002970905148
                   +0 :              -0.00009308639302
                   +1 :              -0.00009052850193
                   +2 :               0.00017399068092
              7 vec=    -2.383582      1.376162    -14.784412   |vec|=   15.038422
                2s
                   +0 :              -0.00006242308095
                2p
                   -1 :              -0.00001217005590
                   +0 :               0.00001994058332
                   +1 :              -0.00002407204982
                3s
                   +0 :               0.00014230288002
                4s
                   +0 :              -0.00004928236018
                3p
                   -1 :               0.00009889423698
                   +0 :              -0.00000831454877
                   +1 :               0.00005076403197
                4p
                   -1 :               0.00000562587103
                   +0 :               0.00000870510768
                   +1 :               0.00002014194415
                3d
                   -2 :               0.00000994863130
                   -1 :               0.00001821424711
                   +0 :              -0.00002079435195
                   +1 :              -0.00002657543056
                   +2 :              -0.00010861063510
              8 vec=   -10.163745      5.868041      9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00012682286504
                2p
                   -1 :              -0.00005241388096
                   +0 :              -0.00006949370416
                   +1 :               0.00006244659358
                3s
                   +0 :               0.00032389068028
                4s
                   +0 :              -0.00004099444313
                3p
                   -1 :               0.00023690671996
                   +0 :               0.00023223453726
                   +1 :              -0.00034623077931
                4p
                   -1 :              -0.00001250363611
                   +0 :              -0.00000050660878
                   +1 :               0.00005313360991
                3d
                   -2 :              -0.00008740371330
                   -1 :               0.00005379407238
                   +0 :               0.00000707665089
                   +1 :              -0.00008794871886
                   +2 :               0.00001351294513
              9 vec=     5.396580     -3.115717    -14.784412   |vec|=   16.043990
                2s
                   +0 :              -0.00005417160678
                2p
                   -1 :              -0.00002141508909
                   +0 :               0.00002478386344
                   +1 :              -0.00003550273774
                3s
                   +0 :               0.00030142907356
                4s
                   +0 :              -0.00010552296654
                3p
                   -1 :               0.00015368131580
                   +0 :              -0.00018582192305
                   +1 :               0.00009138926157
                4p
                   -1 :              -0.00003486797746
                   +0 :               0.00004269998048
                   +1 :              -0.00003575660607
                3d
                   -2 :               0.00000825082532
                   -1 :              -0.00000131003072
                   +0 :               0.00002375815374
                   +1 :              -0.00001770776101
                   +2 :              -0.00001529278067
             10 vec=     5.396580    -12.099475      9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00006484905235
                2p
                   -1 :              -0.00003200284160
                   +0 :               0.00002968806675
                   +1 :               0.00004286595548
                3s
                   +0 :              -0.00013844338597
                4s
                   +0 :               0.00008690552034
                3p
                   -1 :               0.00012026616879
                   +0 :              -0.00012376883094
                   +1 :              -0.00027484796916
                4p
                   -1 :              -0.00005609611322
                   +0 :               0.00007479625816
                   +1 :               0.00007348969671
                3d
                   -2 :               0.00003321512439
                   -1 :               0.00005693901545
                   +0 :               0.00001116100364
                   +1 :              -0.00002842441637
                   +2 :               0.00002727518588
             11 vec=    13.176743      1.376162      9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00000747359167
                2p
                   -1 :               0.00000355038611
                   +0 :               0.00000171883856
                   +1 :               0.00001892815860
                3s
                   +0 :               0.00020895370070
                4s
                   +0 :              -0.00005196566164
                3p
                   -1 :               0.00003055574843
                   +0 :               0.00004545241770
                   +1 :               0.00001924039067
                4p
                   -1 :              -0.00001239142886
                   +0 :              -0.00001957479764
                   +1 :              -0.00000899174458
                3d
                   -2 :               0.00002515783645
                   -1 :               0.00001863857972
                   +0 :              -0.00000836958986
                   +1 :              -0.00001128627056
                   +2 :              -0.00002102812491
             12 vec=    -2.383582     -7.607596    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00000758228364
                2p
                   -1 :               0.00001596288369
                   +0 :              -0.00001326994275
                   +1 :              -0.00002808260124
                3s
                   +0 :               0.00011796335160
                4s
                   +0 :              -0.00001477039114
                3p
                   -1 :              -0.00015067683626
                   +0 :              -0.00006180213829
                   +1 :               0.00003147095175
                4p
                   -1 :               0.00003896373455
                   +0 :              -0.00001332623105
                   +1 :              -0.00001048791832
                3d
                   -2 :               0.00003217761449
                   -1 :               0.00005580720509
                   +0 :               0.00002525479373
                   +1 :               0.00002099932465
                   +2 :              -0.00003334526934
             13 vec=     5.396580      5.868041    -14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00004610562047
                2p
                   -1 :               0.00005814287869
                   +0 :              -0.00000092584152
                   +1 :              -0.00000513959438
                3s
                   +0 :               0.00016957488880
                4s
                   +0 :               0.00001852739977
                3p
                   -1 :              -0.00018132719201
                   +0 :               0.00001489846467
                   +1 :              -0.00000457958523
                4p
                   -1 :               0.00005733534642
                   +0 :              -0.00004612256654
                   +1 :              -0.00000222384336
                3d
                   -2 :              -0.00001057971833
                   -1 :               0.00001846144400
                   +0 :              -0.00005917567883
                   +1 :               0.00002555430506
                   +2 :              -0.00004891052267
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al( 11)  npairs=  14
              1 vec=    -2.383582      1.376162     -2.510641   |vec|=    3.725400
                2s
                   +0 :              -0.02118390964213
                2p
                   -1 :              -0.01383533956631
                   +0 :               0.01901982655188
                   +1 :               0.01724508321185
                3s
                   +0 :              -0.06222769762186
                4s
                   +0 :              -0.00908216955519
                3p
                   -1 :              -0.01446573876836
                   +0 :               0.05417445300642
                   +1 :               0.02013210039798
                4p
                   -1 :              -0.00922940209632
                   +0 :               0.00810988832428
                   +1 :               0.00902022324175
                3d
                   -2 :               0.01850686463356
                   -1 :               0.02731393703348
                   +0 :              -0.01960635079493
                   +1 :              -0.02921427279807
                   +2 :               0.00061581222488
              2 vec=     5.396580     -3.115717     -2.510641   |vec|=    6.718191
                2s
                   +0 :              -0.00372185951452
                2p
                   -1 :               0.00239880302112
                   +0 :               0.00150002811825
                   +1 :              -0.00175279362363
                3s
                   +0 :               0.01096779330331
                4s
                   +0 :              -0.00818231405257
                3p
                   -1 :              -0.00921156695681
                   +0 :              -0.00485997262494
                   +1 :               0.00267152366978
                4p
                   -1 :               0.00384410653844
                   +0 :               0.00257578452693
                   +1 :              -0.00298763703855
                3d
                   -2 :              -0.00003487140958
                   -1 :               0.00149214751935
                   +0 :               0.00074746953096
                   +1 :              -0.00051296578020
                   +2 :              -0.00001650005432
              3 vec=    -2.383582     -7.607596     -2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00037434179922
                2p
                   -1 :               0.00010389454672
                   +0 :               0.00009363092275
                   +1 :              -0.00040673304000
                3s
                   +0 :              -0.00334380178939
                4s
                   +0 :               0.00021971050821
                3p
                   -1 :               0.00031142500477
                   +0 :               0.00161398071963
                   +1 :               0.00078797536528
                4p
                   -1 :               0.00018395658014
                   +0 :               0.00015814986214
                   +1 :              -0.00027764818525
                3d
                   -2 :              -0.00025067364978
                   -1 :              -0.00073489795119
                   +0 :              -0.00076721429433
                   +1 :               0.00027950119119
                   +2 :              -0.00034135988127
              4 vec=     5.396580      5.868041     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00093300619371
                2p
                   -1 :               0.00018459518364
                   +0 :               0.00039252712232
                   +1 :              -0.00088007196988
                3s
                   +0 :               0.00340073880750
                4s
                   +0 :               0.00183346346319
                3p
                   -1 :              -0.00600568876600
                   +0 :              -0.00461400338864
                   +1 :               0.00479931995317
                4p
                   -1 :               0.00301057476253
                   +0 :               0.00001902443700
                   +1 :              -0.00013681345825
                3d
                   -2 :              -0.00098015124407
                   -1 :               0.00105611281143
                   +0 :               0.00138281092986
                   +1 :              -0.00113230504194
                   +2 :               0.00152561462460
              5 vec=   -10.163745     -3.115717     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00058649170836
                2p
                   -1 :              -0.00012128092041
                   +0 :              -0.00005713489819
                   +1 :               0.00023670076937
                3s
                   +0 :               0.00057026365082
                4s
                   +0 :               0.00046023367534
                3p
                   -1 :               0.00120766434035
                   +0 :               0.00016406401226
                   +1 :               0.00006509006365
                4p
                   -1 :              -0.00040906738100
                   +0 :              -0.00018419384621
                   +1 :              -0.00046452702806
                3d
                   -2 :              -0.00027527594151
                   -1 :              -0.00034930921246
                   +0 :               0.00002617116118
                   +1 :              -0.00004601039395
                   +2 :              -0.00010690537999
              6 vec=    -2.383582     10.359920     -2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00033669955717
                2p
                   -1 :               0.00002871728718
                   +0 :              -0.00003539548789
                   +1 :               0.00008218062397
                3s
                   +0 :              -0.00070255040861
                4s
                   +0 :               0.00046831036327
                3p
                   -1 :               0.00033662214948
                   +0 :              -0.00011257462821
                   +1 :              -0.00080039663904
                4p
                   -1 :               0.00001069676798
                   +0 :               0.00003077651160
                   +1 :               0.00018213477485
                3d
                   -2 :              -0.00020330840136
                   -1 :              -0.00002708722850
                   +0 :               0.00016422392988
                   +1 :               0.00002344133973
                   +2 :              -0.00007401664801
              7 vec=   -10.163745      5.868041     -2.510641   |vec|=   12.001622
                2s
                   +0 :              -0.00031789871676
                2p
                   -1 :              -0.00012045918524
                   +0 :               0.00011839158348
                   +1 :               0.00012134747356
                3s
                   +0 :               0.00049589665380
                4s
                   +0 :              -0.00038492659761
                3p
                   -1 :               0.00037053191545
                   +0 :               0.00006231736921
                   +1 :              -0.00033325195472
                4p
                   -1 :              -0.00000814332854
                   +0 :               0.00013082254027
                   +1 :               0.00022804930979
                3d
                   -2 :              -0.00010087398084
                   -1 :               0.00005823305654
                   +0 :              -0.00011698428808
                   +1 :              -0.00013682705215
                   +2 :              -0.00050465032840
              8 vec=     5.396580    -12.099475     -2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00003343040024
                2p
                   -1 :               0.00000716001508
                   +0 :              -0.00005807323697
                   +1 :               0.00005348198740
                3s
                   +0 :               0.00055149455738
                4s
                   +0 :              -0.00005845170969
                3p
                   -1 :              -0.00041061955523
                   +0 :              -0.00022416883431
                   +1 :              -0.00048206595011
                4p
                   -1 :               0.00006377777820
                   +0 :              -0.00007531496880
                   +1 :               0.00015254192031
                3d
                   -2 :               0.00009770882320
                   -1 :               0.00010752477167
                   +0 :               0.00017434240762
                   +1 :               0.00009504436182
                   +2 :              -0.00007047154929
              9 vec=    13.176743      1.376162     -2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00010358263771
                2p
                   -1 :               0.00039715467994
                   +0 :              -0.00025854137979
                   +1 :               0.00003618925815
                3s
                   +0 :               0.00052565589129
                4s
                   +0 :               0.00015119068628
                3p
                   -1 :              -0.00162946973403
                   +0 :               0.00012656317696
                   +1 :               0.00029138276183
                4p
                   -1 :               0.00054973054990
                   +0 :              -0.00009837605546
                   +1 :               0.00002959759246
                3d
                   -2 :              -0.00034302791569
                   -1 :              -0.00016408907551
                   +0 :               0.00017146469810
                   +1 :              -0.00004943602357
                   +2 :               0.00022890327939
             10 vec=    13.176743     -7.607596     -2.510641   |vec|=   15.420940
                2s
                   +0 :               0.00000376948482
                2p
                   -1 :              -0.00001165441200
                   +0 :              -0.00000493402515
                   +1 :              -0.00001416800447
                3s
                   +0 :               0.00014570165126
                4s
                   +0 :              -0.00007730136606
                3p
                   -1 :              -0.00003502221781
                   +0 :               0.00002880622856
                   +1 :               0.00012117427013
                4p
                   -1 :               0.00006263239428
                   +0 :              -0.00003372386337
                   +1 :              -0.00004579733811
                3d
                   -2 :              -0.00002381012948
                   -1 :              -0.00002551985578
                   +0 :               0.00001091572603
                   +1 :              -0.00001561609924
                   +2 :              -0.00001031817266
             11 vec=   -10.163745    -12.099475     -2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00004108706211
                2p
                   -1 :               0.00004375684866
                   +0 :               0.00004489571489
                   +1 :              -0.00000994584166
                3s
                   +0 :              -0.00001940272485
                4s
                   +0 :              -0.00003523482525
                3p
                   -1 :              -0.00021298383306
                   +0 :              -0.00020877786209
                   +1 :               0.00008242175237
                4p
                   -1 :               0.00006108563659
                   +0 :               0.00006530337784
                   +1 :              -0.00002690719771
                3d
                   -2 :               0.00002103486340
                   -1 :               0.00001924614266
                   +0 :              -0.00003453248963
                   +1 :               0.00003962831140
                   +2 :              -0.00000120229168
             12 vec=     5.396580     14.851799     -2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00001304226919
                2p
                   -1 :              -0.00002979528515
                   +0 :              -0.00002090321756
                   +1 :              -0.00003618507174
                3s
                   +0 :              -0.00008116153846
                4s
                   +0 :              -0.00005215978729
                3p
                   -1 :               0.00010045426937
                   +0 :               0.00018789153015
                   +1 :               0.00013690947337
                4p
                   -1 :              -0.00006428796836
                   +0 :              -0.00004100715375
                   +1 :              -0.00003932930417
                3d
                   -2 :               0.00005524302227
                   -1 :              -0.00001252911573
                   +0 :              -0.00001421595704
                   +1 :               0.00011040823207
                   +2 :              -0.00003459024671
             13 vec=    -2.383582    -16.591354     -2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00002970406256
                2p
                   -1 :               0.00002040176884
                   +0 :               0.00001266111080
                   +1 :               0.00000432214298
                3s
                   +0 :               0.00006414819857
                4s
                   +0 :              -0.00001775101583
                3p
                   -1 :              -0.00009461711709
                   +0 :              -0.00005624674304
                   +1 :              -0.00001293379701
                4p
                   -1 :               0.00002662907954
                   +0 :               0.00001211088800
                   +1 :               0.00000030221466
                3d
                   -2 :              -0.00000932373771
                   -1 :               0.00001439669087
                   +0 :              -0.00001319581410
                   +1 :              -0.00001117300812
                   +2 :              -0.00000291554178
             14 vec=    13.176743     10.359920     -2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00002001925135
                2p
                   -1 :              -0.00001836388133
                   +0 :              -0.00001818575044
                   +1 :               0.00001113480406
                3s
                   +0 :               0.00019718459841
                4s
                   +0 :              -0.00010246164692
                3p
                   -1 :               0.00013030261263
                   +0 :               0.00001236218452
                   +1 :               0.00000167614038
                4p
                   -1 :              -0.00003486672476
                   +0 :               0.00000855646297
                   +1 :              -0.00003316873164
                3d
                   -2 :               0.00002167862741
                   -1 :              -0.00000454408680
                   +0 :               0.00000623832379
                   +1 :              -0.00001869760352
                   +2 :               0.00000383216971
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site Al( 12)  npairs=  13
              1 vec=    -2.383582      1.376162     -9.762967   |vec|=   10.143511
                2s
                   +0 :               0.00020631282839
                2p
                   -1 :               0.00024861525372
                   +0 :              -0.00012983760641
                   +1 :              -0.00005581073748
                3s
                   +0 :               0.00019343427993
                4s
                   +0 :              -0.00013675712231
                3p
                   -1 :              -0.00080689642618
                   +0 :               0.00009190839947
                   +1 :              -0.00069308833452
                4p
                   -1 :               0.00037722615347
                   +0 :               0.00005074453010
                   +1 :               0.00006538709767
                3d
                   -2 :               0.00051029116194
                   -1 :              -0.00007470099694
                   +0 :               0.00003815193403
                   +1 :               0.00017658016694
                   +2 :               0.00015501645698
              2 vec=     5.396580     -3.115717     -9.762967   |vec|=   11.582154
                2s
                   +0 :              -0.00041008972451
                2p
                   -1 :               0.00037489702900
                   +0 :               0.00015860346352
                   +1 :              -0.00001271013910
                3s
                   +0 :               0.00161460898482
                4s
                   +0 :              -0.00073017964740
                3p
                   -1 :              -0.00161080128184
                   +0 :              -0.00121339671638
                   +1 :               0.00033023405070
                4p
                   -1 :               0.00028359304872
                   +0 :               0.00049887147260
                   +1 :              -0.00019836359907
                3d
                   -2 :              -0.00010374277814
                   -1 :               0.00039684994819
                   +0 :               0.00023352937282
                   +1 :              -0.00001643577933
                   +2 :              -0.00026810324367
              3 vec=    -2.383582     -7.607596     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00001305244321
                2p
                   -1 :               0.00007973445870
                   +0 :              -0.00001666636619
                   +1 :              -0.00003210481588
                3s
                   +0 :              -0.00129377901434
                4s
                   +0 :               0.00001801214109
                3p
                   -1 :               0.00096248968215
                   +0 :               0.00045400305864
                   +1 :               0.00047790734589
                4p
                   -1 :               0.00002282520094
                   +0 :              -0.00004255085837
                   +1 :              -0.00007963305336
                3d
                   -2 :              -0.00008908958867
                   -1 :              -0.00031496268869
                   +0 :               0.00015912574750
                   +1 :              -0.00010416124887
                   +2 :               0.00042336693380
              4 vec=     5.396580      5.868041     -9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00004652950978
                2p
                   -1 :               0.00012721235827
                   +0 :              -0.00011022557437
                   +1 :               0.00025732054286
                3s
                   +0 :              -0.00025011739800
                4s
                   +0 :               0.00024902511600
                3p
                   -1 :              -0.00083806417243
                   +0 :               0.00071671049827
                   +1 :              -0.00102574935080
                4p
                   -1 :               0.00031917044886
                   +0 :              -0.00038790565122
                   +1 :               0.00015929163141
                3d
                   -2 :              -0.00004481136542
                   -1 :               0.00018616468648
                   +0 :               0.00001165226405
                   +1 :               0.00009118327847
                   +2 :               0.00015561578974
              5 vec=   -10.163745     -3.115717     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00002739159015
                2p
                   -1 :              -0.00007477886033
                   +0 :              -0.00002023299214
                   +1 :              -0.00008043749209
                3s
                   +0 :              -0.00024700242080
                4s
                   +0 :               0.00020244896466
                3p
                   -1 :               0.00036797644561
                   +0 :               0.00017252634034
                   +1 :               0.00041354376956
                4p
                   -1 :              -0.00013336181811
                   +0 :              -0.00008697226067
                   +1 :              -0.00015911070188
                3d
                   -2 :              -0.00010238114661
                   -1 :              -0.00010303957247
                   +0 :              -0.00004496124813
                   +1 :              -0.00002656102509
                   +2 :              -0.00000378444802
              6 vec=    -2.383582     10.359920     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00011752687551
                2p
                   -1 :              -0.00004515189312
                   +0 :              -0.00002951034359
                   +1 :               0.00009065144284
                3s
                   +0 :              -0.00026275318575
                4s
                   +0 :               0.00006253360474
                3p
                   -1 :               0.00040059158540
                   +0 :               0.00004605473697
                   +1 :              -0.00046910511845
                4p
                   -1 :              -0.00013963787133
                   +0 :               0.00001256488697
                   +1 :               0.00004896886298
                3d
                   -2 :              -0.00015371979669
                   -1 :              -0.00009456956076
                   +0 :              -0.00002147338055
                   +1 :               0.00014590629262
                   +2 :              -0.00018494227821
              7 vec=    -2.383582      1.376162     14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00003649543852
                2p
                   -1 :               0.00004594191752
                   +0 :              -0.00000625880724
                   +1 :              -0.00000039281717
                3s
                   +0 :               0.00006174075415
                4s
                   +0 :              -0.00002295542906
                3p
                   -1 :              -0.00018494219299
                   +0 :               0.00001301626228
                   +1 :              -0.00004467287254
                4p
                   -1 :               0.00003076849869
                   +0 :              -0.00001012578770
                   +1 :               0.00001945732565
                3d
                   -2 :               0.00006423468076
                   -1 :              -0.00002884026837
                   +0 :              -0.00002048683697
                   +1 :               0.00002576953525
                   +2 :               0.00006737021159
              8 vec=   -10.163745      5.868041     -9.762967   |vec|=   15.266013
                2s
                   +0 :              -0.00032435002129
                2p
                   -1 :              -0.00017705921114
                   +0 :               0.00014839611759
                   +1 :               0.00011908901697
                3s
                   +0 :               0.00102669670568
                4s
                   +0 :              -0.00024939814528
                3p
                   -1 :               0.00102030511754
                   +0 :              -0.00066547759547
                   +1 :              -0.00052466505427
                4p
                   -1 :              -0.00027606360249
                   +0 :               0.00013386256812
                   +1 :               0.00006079353568
                3d
                   -2 :              -0.00021942517227
                   -1 :              -0.00017009586040
                   +0 :              -0.00001498126122
                   +1 :               0.00022994660010
                   +2 :               0.00006254614350
              9 vec=     5.396580     -3.115717     14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00011885471924
                2p
                   -1 :               0.00001888186143
                   +0 :              -0.00002800890479
                   +1 :              -0.00004587172682
                3s
                   +0 :               0.00049413226760
                4s
                   +0 :              -0.00017672592382
                3p
                   -1 :              -0.00005982513475
                   +0 :               0.00019830410395
                   +1 :               0.00016583771754
                4p
                   -1 :               0.00004060171228
                   +0 :              -0.00006153368083
                   +1 :              -0.00004272722295
                3d
                   -2 :              -0.00004345125963
                   -1 :               0.00000547863917
                   +0 :              -0.00001127487856
                   +1 :               0.00001839769423
                   +2 :              -0.00001001656221
             10 vec=     5.396580    -12.099475     -9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00002271427322
                2p
                   -1 :               0.00001593874386
                   +0 :               0.00001586976293
                   +1 :              -0.00000998839641
                3s
                   +0 :               0.00017296759595
                4s
                   +0 :              -0.00002174223675
                3p
                   -1 :              -0.00015461624018
                   +0 :              -0.00012119539998
                   +1 :              -0.00002092702030
                4p
                   -1 :               0.00002511503329
                   +0 :               0.00000887370172
                   +1 :               0.00001921727962
                3d
                   -2 :               0.00000439035020
                   -1 :               0.00004480733207
                   +0 :               0.00001725545560
                   +1 :              -0.00000190630672
                   +2 :              -0.00003418539049
             11 vec=    13.176743      1.376162     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00009579311820
                2p
                   -1 :               0.00005088494632
                   +0 :              -0.00000341526001
                   +1 :               0.00010390467523
                3s
                   +0 :              -0.00017118018198
                4s
                   +0 :               0.00007931244883
                3p
                   -1 :              -0.00016982042245
                   +0 :              -0.00006874396971
                   +1 :              -0.00039877578244
                4p
                   -1 :               0.00001673146079
                   +0 :               0.00002078801822
                   +1 :               0.00009050430479
                3d
                   -2 :              -0.00001355890564
                   -1 :               0.00002642434668
                   +0 :               0.00002422423890
                   +1 :               0.00001248877039
                   +2 :              -0.00005471429754
             12 vec=    -2.383582     -7.607596     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00002171613742
                2p
                   -1 :              -0.00001689480478
                   +0 :              -0.00000527564433
                   +1 :               0.00000770013131
                3s
                   +0 :               0.00026229318420
                4s
                   +0 :              -0.00003227404211
                3p
                   -1 :              -0.00000225297228
                   +0 :               0.00019186838827
                   +1 :              -0.00010290132550
                4p
                   -1 :              -0.00001032951827
                   +0 :              -0.00001214253865
                   +1 :               0.00001662033124
                3d
                   -2 :               0.00001417689279
                   -1 :              -0.00003071445486
                   +0 :               0.00004146174014
                   +1 :              -0.00003243003668
                   +2 :              -0.00001123399553
             13 vec=     5.396580      5.868041     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00010608136567
                2p
                   -1 :              -0.00002634818339
                   +0 :              -0.00002641899288
                   +1 :              -0.00002734526941
                3s
                   +0 :               0.00051078741112
                4s
                   +0 :              -0.00014919877262
                3p
                   -1 :               0.00030161038879
                   +0 :               0.00023867646202
                   +1 :               0.00012869971035
                4p
                   -1 :              -0.00006371652159
                   +0 :              -0.00005892764321
                   +1 :              -0.00004365420162
                3d
                   -2 :               0.00005015353087
                   -1 :               0.00008648140474
                   +0 :              -0.00000786204948
                   +1 :               0.00001116172965
                   +2 :              -0.00005052399543
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 13)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00029126875681
                2s
                   +0 :               0.00180307087686
                3s
                   +0 :              -0.00077892380561
                2p
                   -1 :              -0.00026856936365
                   +0 :               0.00139108458543
                   +1 :              -0.00253031344295
                3p
                   -1 :               0.00045567158949
                   +0 :              -0.00097264750929
                   +1 :               0.00165183284002
                3d
                   -2 :               0.00001813299146
                   -1 :               0.00001822147371
                   +0 :               0.00001974120348
                   +1 :               0.00013456248148
                   +2 :              -0.00000620719680
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00020794616178
                2s
                   +0 :              -0.00217878219530
                3s
                   +0 :               0.00012063121640
                2p
                   -1 :               0.00130920145510
                   +0 :              -0.00213520943470
                   +1 :               0.00042644248281
                3p
                   -1 :               0.00014681432995
                   +0 :               0.00026951908300
                   +1 :              -0.00022685499725
                3d
                   -2 :              -0.00005394473515
                   -1 :               0.00009256099323
                   +0 :              -0.00004933954515
                   +1 :               0.00012695394892
                   +2 :               0.00004168447477
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00020730719554
                2s
                   +0 :               0.00192877754347
                3s
                   +0 :              -0.00038556994841
                2p
                   -1 :              -0.00006518270300
                   +0 :               0.00295927370118
                   +1 :              -0.00028953585760
                3p
                   -1 :               0.00125199528994
                   +0 :              -0.00114948111034
                   +1 :               0.00057799956308
                3d
                   -2 :               0.00026012227313
                   -1 :               0.00032816473537
                   +0 :               0.00008714698693
                   +1 :              -0.00001066570208
                   +2 :              -0.00000132306543
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00002487872641
                2s
                   +0 :              -0.00073552646388
                3s
                   +0 :               0.00002494643333
                2p
                   -1 :              -0.00056483801346
                   +0 :              -0.00008347968683
                   +1 :               0.00032275317838
                3p
                   -1 :               0.00033450744676
                   +0 :              -0.00023583240467
                   +1 :              -0.00003768750520
                3d
                   -2 :              -0.00000117250472
                   -1 :              -0.00002401297827
                   +0 :              -0.00004467515271
                   +1 :               0.00001545011521
                   +2 :               0.00002745745393
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001034821795
                2s
                   +0 :              -0.00001022808338
                3s
                   +0 :               0.00002503126515
                2p
                   -1 :              -0.00010877267885
                   +0 :               0.00026027360436
                   +1 :              -0.00019901239471
                3p
                   -1 :               0.00003655642204
                   +0 :              -0.00016416907381
                   +1 :               0.00018697543583
                3d
                   -2 :              -0.00001274050653
                   -1 :              -0.00000848928686
                   +0 :               0.00001190998668
                   +1 :              -0.00000341231694
                   +2 :              -0.00000667730251
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00007095408181
                2s
                   +0 :              -0.00019868891607
                3s
                   +0 :               0.00038952289155
                2p
                   -1 :              -0.00034068842255
                   +0 :              -0.00006920215913
                   +1 :              -0.00016076392644
                3p
                   -1 :               0.00007901435175
                   +0 :               0.00008763434881
                   +1 :               0.00023454468799
                3d
                   -2 :              -0.00003067260192
                   -1 :              -0.00002732379814
                   +0 :               0.00003908439854
                   +1 :               0.00008444286283
                   +2 :               0.00003125411929
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00001372125823
                2s
                   +0 :              -0.00013216167705
                3s
                   +0 :               0.00001231314423
                2p
                   -1 :               0.00003741409071
                   +0 :              -0.00000508283655
                   +1 :              -0.00007502951488
                3p
                   -1 :              -0.00008599945046
                   +0 :              -0.00005828590259
                   +1 :               0.00011981854164
                3d
                   -2 :               0.00000354950674
                   -1 :              -0.00000549751734
                   +0 :               0.00000790279734
                   +1 :              -0.00000121607205
                   +2 :               0.00000325589523
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00002307937672
                2s
                   +0 :               0.00011785557910
                3s
                   +0 :              -0.00007345113298
                2p
                   -1 :               0.00015904719375
                   +0 :              -0.00003489916645
                   +1 :              -0.00017403082864
                3p
                   -1 :              -0.00013840867606
                   +0 :              -0.00002718216640
                   +1 :               0.00012477647650
                3d
                   -2 :               0.00000371808304
                   -1 :               0.00000223270096
                   +0 :               0.00000081404830
                   +1 :              -0.00000300052423
                   +2 :              -0.00000090140161
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002541219532
                2s
                   +0 :              -0.00021874852642
                3s
                   +0 :               0.00002740493351
                2p
                   -1 :               0.00014007248430
                   +0 :              -0.00009660920524
                   +1 :               0.00011657492544
                3p
                   -1 :              -0.00006013281697
                   +0 :               0.00001538869435
                   +1 :              -0.00007223337994
                3d
                   -2 :              -0.00000107369941
                   -1 :               0.00000145172876
                   +0 :              -0.00000329343216
                   +1 :               0.00000607225590
                   +2 :               0.00000262693715
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001549576183
                2s
                   +0 :              -0.00006569936101
                3s
                   +0 :               0.00005387013784
                2p
                   -1 :               0.00001011382085
                   +0 :              -0.00002257206611
                   +1 :              -0.00003765392073
                3p
                   -1 :              -0.00001966193106
                   +0 :               0.00003539696119
                   +1 :              -0.00000682097456
                3d
                   -2 :              -0.00000106995949
                   -1 :               0.00000156127035
                   +0 :               0.00001157429850
                   +1 :              -0.00000089049364
                   +2 :              -0.00000424743697
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000044957905
                2s
                   +0 :               0.00006801423278
                3s
                   +0 :               0.00000135238640
                2p
                   -1 :               0.00005585255134
                   +0 :               0.00009665961597
                   +1 :              -0.00008631135917
                3p
                   -1 :              -0.00002506694353
                   +0 :              -0.00003882392604
                   +1 :               0.00012133494237
                3d
                   -2 :               0.00000009379552
                   -1 :               0.00000469578021
                   +0 :              -0.00000197979201
                   +1 :              -0.00000441344424
                   +2 :               0.00000002735538
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000507504450
                2s
                   +0 :               0.00000847096889
                3s
                   +0 :              -0.00000952086341
                2p
                   -1 :               0.00008186915619
                   +0 :              -0.00020013741320
                   +1 :               0.00005929428584
                3p
                   -1 :              -0.00009423032599
                   +0 :               0.00005075189231
                   +1 :              -0.00004162544718
                3d
                   -2 :              -0.00000114447258
                   -1 :               0.00000584374624
                   +0 :              -0.00001992251960
                   +1 :              -0.00002187496458
                   +2 :              -0.00000352431267
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000518230674
                2s
                   +0 :              -0.00006837668627
                3s
                   +0 :               0.00000646997894
                2p
                   -1 :               0.00001476542002
                   +0 :               0.00005505667957
                   +1 :              -0.00008775121957
                3p
                   -1 :              -0.00003476442851
                   +0 :               0.00000518180064
                   +1 :               0.00003665456063
                3d
                   -2 :              -0.00000342539988
                   -1 :               0.00000629732236
                   +0 :              -0.00000825872450
                   +1 :               0.00000111645434
                   +2 :              -0.00000126164569
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001341210555
                2s
                   +0 :               0.00009251081187
                3s
                   +0 :              -0.00003133878308
                2p
                   -1 :              -0.00002545265239
                   +0 :              -0.00007517256637
                   +1 :               0.00001123468582
                3p
                   -1 :              -0.00000541645285
                   +0 :               0.00001202668082
                   +1 :              -0.00002958534450
                3d
                   -2 :               0.00000418487661
                   -1 :               0.00000293973686
                   +0 :               0.00000283499968
                   +1 :              -0.00000035793007
                   +2 :               0.00000006220253
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00000363673462
                2s
                   +0 :              -0.00001987544881
                3s
                   +0 :               0.00000809583850
                2p
                   -1 :              -0.00001345703632
                   +0 :              -0.00004103232161
                   +1 :               0.00002281225391
                3p
                   -1 :               0.00001136310216
                   +0 :              -0.00000543355917
                   +1 :              -0.00002900311828
                3d
                   -2 :              -0.00000245935961
                   -1 :               0.00000109770526
                   +0 :              -0.00000130682892
                   +1 :              -0.00000111284519
                   +2 :               0.00000156784068
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 14)  npairs=  14
              1 vec=     0.419351     -0.000150      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00012391631958
                2s
                   +0 :               0.00080737914788
                3s
                   +0 :              -0.00027476489455
                2p
                   -1 :               0.00155994762145
                   +0 :               0.00249620086549
                   +1 :              -0.00178604925352
                3p
                   -1 :              -0.00148511167214
                   +0 :              -0.00172623673686
                   +1 :               0.00054841572106
                3d
                   -2 :              -0.00014096843705
                   -1 :              -0.00011033338127
                   +0 :              -0.00002829639376
                   +1 :               0.00007805655219
                   +2 :              -0.00001442376485
              2 vec=    -7.360812      4.491729      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00002826165235
                2s
                   +0 :              -0.00027176923220
                3s
                   +0 :               0.00012743527320
                2p
                   -1 :               0.00001464685493
                   +0 :               0.00014630736907
                   +1 :               0.00084666057299
                3p
                   -1 :               0.00002433015467
                   +0 :              -0.00010665190487
                   +1 :              -0.00079757497137
                3d
                   -2 :              -0.00004885797149
                   -1 :               0.00000234877157
                   +0 :               0.00001534166530
                   +1 :              -0.00001920364289
                   +2 :              -0.00001363346626
              3 vec=    -7.360812     -4.492029      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00002305041833
                2s
                   +0 :              -0.00026519113596
                3s
                   +0 :              -0.00008776715719
                2p
                   -1 :               0.00052141093264
                   +0 :              -0.00013499879741
                   +1 :               0.00007565627788
                3p
                   -1 :              -0.00021345797927
                   +0 :              -0.00017472749468
                   +1 :               0.00038052382154
                3d
                   -2 :              -0.00000284096986
                   -1 :              -0.00000885011229
                   +0 :               0.00007049451104
                   +1 :               0.00002109792464
                   +2 :              -0.00005197189953
              4 vec=     0.419351      8.983608      8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00005714788107
                2s
                   +0 :              -0.00029721013529
                3s
                   +0 :               0.00005293596647
                2p
                   -1 :              -0.00049270124801
                   +0 :              -0.00027128193430
                   +1 :               0.00007698151143
                3p
                   -1 :               0.00040950143232
                   +0 :               0.00020054694246
                   +1 :              -0.00038984183622
                3d
                   -2 :              -0.00006746905636
                   -1 :              -0.00002101085532
                   +0 :              -0.00000882090590
                   +1 :              -0.00002877324516
                   +2 :               0.00000592012888
              5 vec=     0.419351     -8.983908      8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00002746845355
                2s
                   +0 :              -0.00007106515713
                3s
                   +0 :               0.00009314024211
                2p
                   -1 :               0.00007732442927
                   +0 :              -0.00021915531439
                   +1 :              -0.00028917713103
                3p
                   -1 :              -0.00011639570449
                   +0 :               0.00011825451332
                   +1 :               0.00003053311678
                3d
                   -2 :               0.00002473286207
                   -1 :              -0.00001698810573
                   +0 :               0.00000284056775
                   +1 :               0.00001958140792
                   +2 :              -0.00001715574175
              6 vec=     8.199513      4.491729      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00010893544921
                2s
                   +0 :               0.00078974209545
                3s
                   +0 :              -0.00031397224144
                2p
                   -1 :               0.00085270895092
                   +0 :               0.00069475452062
                   +1 :               0.00081383703391
                3p
                   -1 :              -0.00060512673085
                   +0 :              -0.00053971413456
                   +1 :              -0.00061479483397
                3d
                   -2 :              -0.00005240684076
                   -1 :              -0.00006683391668
                   +0 :              -0.00002568024532
                   +1 :              -0.00001987466894
                   +2 :              -0.00000883488949
              7 vec=     8.199513     -4.492029      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00008142233423
                2s
                   +0 :               0.00089260796697
                3s
                   +0 :              -0.00015233382565
                2p
                   -1 :              -0.00026155632920
                   +0 :               0.00053178650772
                   +1 :               0.00027806391926
                3p
                   -1 :               0.00002716023140
                   +0 :              -0.00001383513719
                   +1 :              -0.00014305832172
                3d
                   -2 :               0.00000191033050
                   -1 :              -0.00003464423931
                   +0 :               0.00003297151724
                   +1 :               0.00000177601532
                   +2 :              -0.00001279045711
              8 vec=     0.419351     -0.000150    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00000285438809
                2s
                   +0 :              -0.00001878265091
                3s
                   +0 :               0.00002168663897
                2p
                   -1 :               0.00000442036824
                   +0 :               0.00003125484990
                   +1 :               0.00003880473747
                3p
                   -1 :              -0.00001210573113
                   +0 :              -0.00003351941076
                   +1 :              -0.00004283758556
                3d
                   -2 :               0.00000010807484
                   -1 :               0.00000036805162
                   +0 :               0.00000213676180
                   +1 :               0.00000402962481
                   +2 :              -0.00000022577556
              9 vec=   -15.140975     -0.000150      8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00001015948870
                2s
                   +0 :               0.00007670929160
                3s
                   +0 :              -0.00009684663195
                2p
                   -1 :              -0.00022214410499
                   +0 :               0.00010167352226
                   +1 :              -0.00006963751757
                3p
                   -1 :               0.00013480483907
                   +0 :              -0.00004769962933
                   +1 :               0.00010490306540
                3d
                   -2 :              -0.00001729717608
                   -1 :               0.00001375959465
                   +0 :               0.00000434025989
                   +1 :               0.00001648559083
                   +2 :              -0.00000444601110
             10 vec=    -7.360812     13.475487      8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00001127038348
                2s
                   +0 :              -0.00008715868550
                3s
                   +0 :               0.00002560721002
                2p
                   -1 :               0.00000726228917
                   +0 :              -0.00008402962340
                   +1 :               0.00001331289702
                3p
                   -1 :              -0.00000528185777
                   +0 :               0.00002984276563
                   +1 :              -0.00000526573331
                3d
                   -2 :               0.00000362712729
                   -1 :              -0.00000351654456
                   +0 :               0.00000406501649
                   +1 :               0.00000458773741
                   +2 :               0.00000389947752
             11 vec=    -7.360812    -13.475787      8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00001745699103
                2s
                   +0 :              -0.00015683358672
                3s
                   +0 :               0.00003030519794
                2p
                   -1 :               0.00009095953453
                   +0 :              -0.00008874938462
                   +1 :               0.00005913777403
                3p
                   -1 :              -0.00001947958390
                   +0 :               0.00001305758297
                   +1 :              -0.00003504154058
                3d
                   -2 :               0.00000219040747
                   -1 :               0.00000287225967
                   +0 :              -0.00000521307328
                   +1 :              -0.00000085938443
                   +2 :              -0.00000109478740
             12 vec=     8.199513     13.475487      8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000353148783
                2s
                   +0 :               0.00005203971530
                3s
                   +0 :               0.00000834940981
                2p
                   -1 :               0.00000741503149
                   +0 :               0.00004523830713
                   +1 :               0.00006699973107
                3p
                   -1 :               0.00000032769393
                   +0 :               0.00000786222232
                   +1 :              -0.00003918572296
                3d
                   -2 :               0.00000012935031
                   -1 :               0.00000316664638
                   +0 :               0.00000479167574
                   +1 :               0.00000174306735
                   +2 :              -0.00000002990048
             13 vec=     8.199513    -13.475787      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000983089331
                2s
                   +0 :               0.00010016698002
                3s
                   +0 :              -0.00000186241611
                2p
                   -1 :              -0.00003271480888
                   +0 :              -0.00001745503045
                   +1 :               0.00002007504796
                3p
                   -1 :              -0.00003802535586
                   +0 :               0.00005242470216
                   +1 :              -0.00000081735905
                3d
                   -2 :              -0.00000289010073
                   -1 :              -0.00000737329086
                   +0 :              -0.00000304621070
                   +1 :               0.00000294487375
                   +2 :              -0.00000202006935
             14 vec=    15.979676     -0.000150      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00001711351519
                2s
                   +0 :               0.00014750973018
                3s
                   +0 :              -0.00004189180040
                2p
                   -1 :               0.00002630757954
                   +0 :               0.00005219586755
                   +1 :               0.00006519055226
                3p
                   -1 :              -0.00001098183669
                   +0 :              -0.00000300650923
                   +1 :              -0.00000967554646
                3d
                   -2 :               0.00000169214788
                   -1 :               0.00000115368458
                   +0 :               0.00000195598452
                   +1 :               0.00000120041367
                   +2 :              -0.00000251605282
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 15)  npairs=  15
              1 vec=    -4.976970     -0.363094      8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00030782826810
                2s
                   +0 :              -0.00244032413610
                3s
                   +0 :               0.00056285282630
                2p
                   -1 :               0.00009247139966
                   +0 :              -0.00181802966686
                   +1 :              -0.00038128525003
                3p
                   -1 :              -0.00064346224135
                   +0 :               0.00079981633570
                   +1 :               0.00079594487044
                3d
                   -2 :               0.00002312398058
                   -1 :              -0.00009173381487
                   +0 :               0.00002028411749
                   +1 :               0.00011705219695
                   +2 :              -0.00006211653355
              2 vec=     2.803193      4.128785      8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00007718484860
                2s
                   +0 :              -0.00038651229942
                3s
                   +0 :               0.00012898501451
                2p
                   -1 :               0.00089795674022
                   +0 :               0.00039686352409
                   +1 :               0.00041724869629
                3p
                   -1 :              -0.00121864173633
                   +0 :              -0.00027210038903
                   +1 :              -0.00043473897590
                3d
                   -2 :              -0.00006079181987
                   -1 :              -0.00017664956928
                   +0 :               0.00006987088979
                   +1 :               0.00001635332991
                   +2 :               0.00002140487677
              3 vec=     2.803193     -4.854973      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00039030339920
                2s
                   +0 :               0.00331506298637
                3s
                   +0 :              -0.00075390787741
                2p
                   -1 :              -0.00268277393155
                   +0 :               0.00217703152529
                   +1 :               0.00024756681907
                3p
                   -1 :               0.00098586091283
                   +0 :              -0.00030142103299
                   +1 :              -0.00053967486266
                3d
                   -2 :               0.00005076313874
                   -1 :              -0.00005831148959
                   +0 :               0.00008890591113
                   +1 :              -0.00013748051404
                   +2 :              -0.00001087495044
              4 vec=    -4.976970      8.620664      8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00001535019599
                2s
                   +0 :              -0.00021046717920
                3s
                   +0 :               0.00013518992000
                2p
                   -1 :              -0.00003328384112
                   +0 :              -0.00037819452540
                   +1 :              -0.00015616078521
                3p
                   -1 :               0.00018830803385
                   +0 :               0.00033836661648
                   +1 :               0.00017108475293
                3d
                   -2 :               0.00001201585248
                   -1 :               0.00006721591693
                   +0 :              -0.00000101887482
                   +1 :               0.00002704062891
                   +2 :              -0.00005336069126
              5 vec=    -4.976970     -9.346852      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00002979974601
                2s
                   +0 :              -0.00002710552678
                3s
                   +0 :              -0.00008440843049
                2p
                   -1 :               0.00000949059436
                   +0 :               0.00022361342367
                   +1 :               0.00017794829801
                3p
                   -1 :               0.00019758593423
                   +0 :              -0.00017024924399
                   +1 :              -0.00015343545232
                3d
                   -2 :               0.00000379494681
                   -1 :               0.00002560295464
                   +0 :              -0.00001556925531
                   +1 :              -0.00003251755395
                   +2 :               0.00001827491945
              6 vec=    10.583355     -0.363094      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00001169884895
                2s
                   +0 :               0.00050848190412
                3s
                   +0 :              -0.00005123075077
                2p
                   -1 :               0.00022237587875
                   +0 :               0.00041181539943
                   +1 :               0.00009398969408
                3p
                   -1 :              -0.00007988725729
                   +0 :              -0.00013122629013
                   +1 :               0.00004689900758
                3d
                   -2 :               0.00000869100784
                   -1 :               0.00001352945487
                   +0 :              -0.00002104592874
                   +1 :              -0.00002689062083
                   +2 :               0.00000320166518
              7 vec=   -12.757133      4.128785      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00001287164967
                2s
                   +0 :              -0.00018580871951
                3s
                   +0 :               0.00000401827692
                2p
                   -1 :              -0.00006751572326
                   +0 :              -0.00014510711326
                   +1 :              -0.00007356413168
                3p
                   -1 :              -0.00004988377066
                   +0 :               0.00003403607130
                   +1 :               0.00011671263679
                3d
                   -2 :              -0.00001036291525
                   -1 :               0.00000515545630
                   +0 :              -0.00000313734886
                   +1 :               0.00000962321888
                   +2 :              -0.00000216442114
              8 vec=     2.803193     13.112543      8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00000639035006
                2s
                   +0 :               0.00003957167115
                3s
                   +0 :              -0.00000452606302
                2p
                   -1 :              -0.00005977181859
                   +0 :              -0.00003606384890
                   +1 :              -0.00002731268851
                3p
                   -1 :               0.00006601728110
                   +0 :               0.00000485431005
                   +1 :               0.00001012937981
                3d
                   -2 :               0.00000346438957
                   -1 :              -0.00000439180485
                   +0 :              -0.00001655122712
                   +1 :               0.00000435125121
                   +2 :              -0.00001097406728
              9 vec=   -12.757133     -4.854973      8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00003865086222
                2s
                   +0 :              -0.00039182764615
                3s
                   +0 :               0.00007792661859
                2p
                   -1 :               0.00020071066749
                   +0 :              -0.00014797244707
                   +1 :               0.00017484574556
                3p
                   -1 :              -0.00010954153393
                   +0 :              -0.00000029834186
                   +1 :              -0.00002162470051
                3d
                   -2 :               0.00001018202585
                   -1 :              -0.00000113930045
                   +0 :              -0.00000504220307
                   +1 :               0.00001407651910
                   +2 :              -0.00000606141998
             10 vec=    10.583355      8.620664      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00006270690527
                2s
                   +0 :              -0.00040230371632
                3s
                   +0 :               0.00022381782537
                2p
                   -1 :              -0.00009661465293
                   +0 :              -0.00011520685112
                   +1 :              -0.00004669740780
                3p
                   -1 :               0.00007492874779
                   +0 :               0.00005732442606
                   +1 :               0.00004849397736
                3d
                   -2 :              -0.00000258188600
                   -1 :               0.00000430744186
                   +0 :               0.00001089055100
                   +1 :              -0.00000399969208
                   +2 :              -0.00000856055109
             11 vec=     2.803193    -13.838731      8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000712788267
                2s
                   +0 :              -0.00004531152458
                3s
                   +0 :               0.00003329121992
                2p
                   -1 :               0.00001277542503
                   +0 :               0.00009360516273
                   +1 :               0.00006174895210
                3p
                   -1 :              -0.00001299964467
                   +0 :              -0.00007675259500
                   +1 :              -0.00007988577001
                3d
                   -2 :               0.00000846294212
                   -1 :               0.00000289998223
                   +0 :              -0.00000545912851
                   +1 :              -0.00000431627077
                   +2 :              -0.00000073016312
             12 vec=    10.583355     -9.346852      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00001828824237
                2s
                   +0 :               0.00017859934985
                3s
                   +0 :              -0.00004025893972
                2p
                   -1 :              -0.00013480764491
                   +0 :               0.00011794802463
                   +1 :               0.00008071165203
                3p
                   -1 :               0.00007151591006
                   +0 :              -0.00004636762584
                   +1 :              -0.00000659199002
                3d
                   -2 :               0.00000128290011
                   -1 :               0.00000061389890
                   +0 :               0.00000104535262
                   +1 :              -0.00000734019935
                   +2 :              -0.00000123319983
             13 vec=    -4.976970     -0.363094    -16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00001736251104
                2s
                   +0 :               0.00013763042204
                3s
                   +0 :              -0.00004912250564
                2p
                   -1 :               0.00008794022499
                   +0 :              -0.00012896123051
                   +1 :              -0.00007307238317
                3p
                   -1 :              -0.00005993988864
                   +0 :               0.00005580985020
                   +1 :               0.00005068564729
                3d
                   -2 :              -0.00000211814460
                   -1 :               0.00000407970169
                   +0 :               0.00000442856663
                   +1 :              -0.00000124095628
                   +2 :               0.00000202454293
             14 vec=     2.803193      4.128785    -16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00000337657458
                2s
                   +0 :               0.00004569427794
                3s
                   +0 :              -0.00000822231857
                2p
                   -1 :              -0.00000453031105
                   +0 :              -0.00004157925863
                   +1 :               0.00000254011272
                3p
                   -1 :               0.00001836276460
                   +0 :              -0.00001850429960
                   +1 :              -0.00002478875204
                3d
                   -2 :              -0.00000030101972
                   -1 :              -0.00000295376654
                   +0 :               0.00000506040558
                   +1 :               0.00000198322395
                   +2 :               0.00000250436437
             15 vec=     2.803193     -4.854973    -16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00000188363518
                2s
                   +0 :              -0.00002405992536
                3s
                   +0 :              -0.00000684446706
                2p
                   -1 :              -0.00005004269004
                   +0 :              -0.00002537659171
                   +1 :              -0.00016407147016
                3p
                   -1 :               0.00001393564973
                   +0 :               0.00007243368970
                   +1 :               0.00008763865275
                3d
                   -2 :              -0.00000117555827
                   -1 :               0.00000088072981
                   +0 :              -0.00000394153313
                   +1 :              -0.00000038725753
                   +2 :               0.00000080876550
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 16)  npairs=  14
              1 vec=     0.419351      2.752474     -4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00077662026940
                2s
                   +0 :               0.01122679702314
                3s
                   +0 :              -0.00216725606762
                2p
                   -1 :               0.00433536485434
                   +0 :              -0.00488966470281
                   +1 :              -0.00742385633056
                3p
                   -1 :              -0.00378573527030
                   +0 :              -0.00160452377397
                   +1 :              -0.00389325264933
                3d
                   -2 :              -0.00125751969484
                   -1 :              -0.00036113636356
                   +0 :               0.00107474041054
                   +1 :               0.00166925097186
                   +2 :              -0.00016815448172
              2 vec=     0.419351     -6.231284     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00023344007578
                2s
                   +0 :              -0.00147885017954
                3s
                   +0 :               0.00086507703051
                2p
                   -1 :               0.00007177421065
                   +0 :               0.00084786024732
                   +1 :              -0.00128905542218
                3p
                   -1 :              -0.00004103585848
                   +0 :              -0.00070199978909
                   +1 :               0.00063702305428
                3d
                   -2 :              -0.00006394697501
                   -1 :              -0.00003671365338
                   +0 :              -0.00003042089489
                   +1 :               0.00002033003907
                   +2 :              -0.00002360139183
              3 vec=    -7.360812     -1.739405     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00045703232751
                2s
                   +0 :              -0.00205309846119
                3s
                   +0 :               0.00075055080988
                2p
                   -1 :               0.00105068282469
                   +0 :              -0.00017801000881
                   +1 :               0.00219308118972
                3p
                   -1 :              -0.00045651699903
                   +0 :               0.00157066108488
                   +1 :              -0.00120908462206
                3d
                   -2 :               0.00010397109410
                   -1 :              -0.00007434900692
                   +0 :              -0.00029431910422
                   +1 :               0.00010982510784
                   +2 :               0.00011936986930
              4 vec=     8.199513     -1.739405     -4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00073108620633
                2s
                   +0 :               0.00441610775982
                3s
                   +0 :              -0.00159805249056
                2p
                   -1 :              -0.00121918879210
                   +0 :              -0.00198240657130
                   +1 :               0.00135057957988
                3p
                   -1 :               0.00071197089753
                   +0 :               0.00021427111475
                   +1 :              -0.00037774946118
                3d
                   -2 :               0.00013084859463
                   -1 :               0.00012139415384
                   +0 :               0.00017521407633
                   +1 :               0.00010787282939
                   +2 :              -0.00011131322135
              5 vec=    -7.360812      7.244353     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00003862376840
                2s
                   +0 :              -0.00031078018155
                3s
                   +0 :               0.00000100439630
                2p
                   -1 :              -0.00179524053434
                   +0 :               0.00059881458622
                   +1 :               0.00082379444627
                3p
                   -1 :               0.00136083506116
                   +0 :              -0.00024753763339
                   +1 :              -0.00064115651789
                3d
                   -2 :              -0.00014538807746
                   -1 :               0.00003641751335
                   +0 :              -0.00020401049372
                   +1 :              -0.00000533580235
                   +2 :              -0.00001169151097
              6 vec=     8.199513      7.244353     -4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00001911950538
                2s
                   +0 :               0.00009492168573
                3s
                   +0 :               0.00008831311317
                2p
                   -1 :               0.00030604695385
                   +0 :               0.00011874942760
                   +1 :              -0.00024942125078
                3p
                   -1 :              -0.00015111510483
                   +0 :              -0.00012273320908
                   +1 :               0.00039719981918
                3d
                   -2 :               0.00013847219106
                   -1 :              -0.00007893915511
                   +0 :              -0.00008016959128
                   +1 :               0.00002635547948
                   +2 :              -0.00001101326553
              7 vec=     0.419351     11.736232     -4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001835925488
                2s
                   +0 :               0.00005346980369
                3s
                   +0 :              -0.00012956139307
                2p
                   -1 :               0.00048538449920
                   +0 :               0.00026357463221
                   +1 :              -0.00035412912423
                3p
                   -1 :              -0.00046547383791
                   +0 :               0.00001830649102
                   +1 :               0.00039362062696
                3d
                   -2 :               0.00004355487985
                   -1 :               0.00002512467380
                   +0 :               0.00001698623438
                   +1 :               0.00000234557541
                   +2 :               0.00000630208495
              8 vec=    -7.360812    -10.723163     -4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00002823082140
                2s
                   +0 :              -0.00045657197758
                3s
                   +0 :              -0.00002852931877
                2p
                   -1 :               0.00029261470983
                   +0 :              -0.00000014316482
                   +1 :               0.00004983291400
                3p
                   -1 :               0.00001236210633
                   +0 :               0.00021155666159
                   +1 :               0.00008316135032
                3d
                   -2 :              -0.00002547211181
                   -1 :              -0.00002112505569
                   +0 :               0.00001265041094
                   +1 :              -0.00000008717230
                   +2 :               0.00002417399476
              9 vec=     8.199513    -10.723163     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00007223513126
                2s
                   +0 :               0.00064176309223
                3s
                   +0 :              -0.00015722099138
                2p
                   -1 :              -0.00007429714292
                   +0 :              -0.00007012946908
                   +1 :               0.00012278408669
                3p
                   -1 :              -0.00007556645898
                   +0 :              -0.00004273062651
                   +1 :               0.00000965575471
                3d
                   -2 :              -0.00000110225098
                   -1 :               0.00000618183323
                   +0 :               0.00000440257150
                   +1 :               0.00000206908335
                   +2 :              -0.00001135203441
             10 vec=     0.419351    -15.215042     -4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000419545791
                2s
                   +0 :               0.00002916221381
                3s
                   +0 :              -0.00001832025193
                2p
                   -1 :               0.00003073579053
                   +0 :              -0.00008430530143
                   +1 :              -0.00004979110504
                3p
                   -1 :              -0.00001354946648
                   +0 :               0.00006991432128
                   +1 :               0.00000462032878
                3d
                   -2 :               0.00000342967172
                   -1 :               0.00000138778383
                   +0 :              -0.00000267816093
                   +1 :              -0.00000283938014
                   +2 :              -0.00000606484637
             11 vec=   -15.140975      2.752474     -4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00009355003287
                2s
                   +0 :              -0.00064816766949
                3s
                   +0 :               0.00027837014680
                2p
                   -1 :              -0.00021775510874
                   +0 :               0.00010068596772
                   +1 :               0.00045655408722
                3p
                   -1 :               0.00017722262722
                   +0 :              -0.00005721414732
                   +1 :              -0.00023013781037
                3d
                   -2 :              -0.00001656322731
                   -1 :              -0.00000761107410
                   +0 :               0.00001758555371
                   +1 :               0.00000136441496
                   +2 :               0.00000000872801
             12 vec=    15.979676      2.752474     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00001535990710
                2s
                   +0 :               0.00013213770945
                3s
                   +0 :              -0.00004300110034
                2p
                   -1 :              -0.00013994051210
                   +0 :              -0.00007374612736
                   +1 :               0.00044167038622
                3p
                   -1 :               0.00015290938018
                   +0 :               0.00004469972963
                   +1 :              -0.00036046572503
                3d
                   -2 :               0.00000195662479
                   -1 :              -0.00000985396677
                   +0 :               0.00000948341586
                   +1 :               0.00001069115909
                   +2 :              -0.00002363911366
             13 vec=   -15.140975     -6.231284     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00003441520290
                2s
                   +0 :              -0.00024627435997
                3s
                   +0 :               0.00009503672504
                2p
                   -1 :              -0.00007884176275
                   +0 :               0.00006054458004
                   +1 :               0.00017687433934
                3p
                   -1 :               0.00008393990756
                   +0 :              -0.00001984820955
                   +1 :              -0.00007511577898
                3d
                   -2 :              -0.00000607715668
                   -1 :               0.00000145385611
                   +0 :               0.00000171516804
                   +1 :               0.00000273491185
                   +2 :               0.00001128981599
             14 vec=    15.979676     -6.231284     -4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00000871328119
                2s
                   +0 :               0.00005980400330
                3s
                   +0 :              -0.00000677427950
                2p
                   -1 :               0.00002148297195
                   +0 :               0.00000490530024
                   +1 :              -0.00002637436023
                3p
                   -1 :              -0.00005189054118
                   +0 :              -0.00002233772940
                   +1 :               0.00005228321735
                3d
                   -2 :              -0.00000744834614
                   -1 :               0.00000355244532
                   +0 :              -0.00000443455097
                   +1 :               0.00000100685543
                   +2 :              -0.00000638332710
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 17)  npairs=  14
              1 vec=    -2.593128     -1.739405     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00037235606882
                2s
                   +0 :              -0.03015226771099
                3s
                   +0 :              -0.00063874331453
                2p
                   -1 :               0.00286959227577
                   +0 :               0.01934212870606
                   +1 :               0.00491180146954
                3p
                   -1 :               0.00685212388112
                   +0 :               0.00000624809867
                   +1 :               0.00295133253052
                3d
                   -2 :              -0.00071864467445
                   -1 :              -0.00108433086705
                   +0 :              -0.00078963085481
                   +1 :              -0.00166986355688
                   +2 :               0.00020190003119
              2 vec=     5.187034      2.752474     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00125696056277
                2s
                   +0 :               0.01111693904188
                3s
                   +0 :              -0.00538616209279
                2p
                   -1 :               0.00627746696175
                   +0 :              -0.01182013726780
                   +1 :               0.01425244123179
                3p
                   -1 :              -0.00376806527541
                   +0 :               0.00789589998063
                   +1 :              -0.01154765430259
                3d
                   -2 :              -0.00060189837616
                   -1 :               0.00051680172268
                   +0 :              -0.00040767223353
                   +1 :               0.00105289060280
                   +2 :              -0.00048858668902
              3 vec=    -2.593128      7.244353     -4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00027559166941
                2s
                   +0 :              -0.00164022567887
                3s
                   +0 :               0.00074812411923
                2p
                   -1 :              -0.00056600293301
                   +0 :               0.00194140355620
                   +1 :              -0.00237566434473
                3p
                   -1 :               0.00018833888166
                   +0 :               0.00008647598225
                   +1 :               0.00141713244241
                3d
                   -2 :               0.00010158528159
                   -1 :               0.00012394544248
                   +0 :              -0.00017510841674
                   +1 :               0.00010310825721
                   +2 :               0.00004046587822
              4 vec=     5.187034     -6.231284     -4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00005125522668
                2s
                   +0 :              -0.00041023166068
                3s
                   +0 :               0.00047530111672
                2p
                   -1 :               0.00053589055011
                   +0 :              -0.00074896282073
                   +1 :               0.00185366041554
                3p
                   -1 :              -0.00094351231456
                   +0 :              -0.00009448856817
                   +1 :              -0.00132872280556
                3d
                   -2 :               0.00002484145504
                   -1 :              -0.00005524438019
                   +0 :               0.00005358844375
                   +1 :               0.00003974263488
                   +2 :              -0.00000308097977
              5 vec=   -10.373291      2.752474     -4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00016664079666
                2s
                   +0 :               0.00061782949423
                3s
                   +0 :              -0.00075694315977
                2p
                   -1 :              -0.00063532369124
                   +0 :               0.00023873311699
                   +1 :              -0.00114425483600
                3p
                   -1 :               0.00029227430749
                   +0 :               0.00026213431007
                   +1 :               0.00157910270652
                3d
                   -2 :               0.00000659564930
                   -1 :               0.00004758319515
                   +0 :               0.00003405379209
                   +1 :               0.00000078204081
                   +2 :              -0.00009915135809
              6 vec=    -2.593128    -10.723163     -4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00003238379563
                2s
                   +0 :              -0.00034790503364
                3s
                   +0 :               0.00013609624020
                2p
                   -1 :               0.00046692434615
                   +0 :               0.00010539549367
                   +1 :               0.00014142288292
                3p
                   -1 :              -0.00033498088143
                   +0 :              -0.00006000012346
                   +1 :              -0.00028739261213
                3d
                   -2 :               0.00002494234152
                   -1 :               0.00001085899490
                   +0 :              -0.00000269636130
                   +1 :               0.00001268408447
                   +2 :              -0.00001550783367
              7 vec=   -10.373291     -6.231284     -4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00001992373138
                2s
                   +0 :              -0.00026631616855
                3s
                   +0 :              -0.00014126632320
                2p
                   -1 :              -0.00056280872546
                   +0 :               0.00002923645903
                   +1 :              -0.00038245636894
                3p
                   -1 :               0.00047779220351
                   +0 :               0.00012178754570
                   +1 :               0.00049189132867
                3d
                   -2 :              -0.00000801482272
                   -1 :               0.00000691530765
                   +0 :               0.00000621733123
                   +1 :              -0.00002454637623
                   +2 :              -0.00001930415691
              8 vec=     5.187034     11.736232     -4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00006259025173
                2s
                   +0 :               0.00047646423036
                3s
                   +0 :              -0.00008730961102
                2p
                   -1 :              -0.00013913405393
                   +0 :               0.00011290573350
                   +1 :               0.00047774259570
                3p
                   -1 :               0.00015341595770
                   +0 :              -0.00026567373331
                   +1 :              -0.00051386945864
                3d
                   -2 :              -0.00004548511238
                   -1 :              -0.00004654083903
                   +0 :               0.00001909659650
                   +1 :              -0.00000796643200
                   +2 :              -0.00005027759093
              9 vec=    12.967197     -1.739405     -4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00010729457258
                2s
                   +0 :              -0.00019346206228
                3s
                   +0 :               0.00037877405790
                2p
                   -1 :               0.00010879568337
                   +0 :               0.00011108221612
                   +1 :               0.00080974664113
                3p
                   -1 :              -0.00012727203867
                   +0 :              -0.00013457660006
                   +1 :              -0.00060862480309
                3d
                   -2 :              -0.00000662100710
                   -1 :              -0.00001613209460
                   +0 :               0.00002222099165
                   +1 :               0.00003232578068
                   +2 :              -0.00001715365559
             10 vec=    12.967197      7.244353     -4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00002773618863
                2s
                   +0 :              -0.00014361194772
                3s
                   +0 :               0.00017609257736
                2p
                   -1 :              -0.00018085049438
                   +0 :              -0.00006126703633
                   +1 :              -0.00010551140240
                3p
                   -1 :               0.00020638535712
                   +0 :               0.00000826999533
                   +1 :               0.00014581965279
                3d
                   -2 :               0.00001627138069
                   -1 :              -0.00001060591794
                   +0 :               0.00001346379277
                   +1 :               0.00000637442477
                   +2 :              -0.00000696845989
             11 vec=   -10.373291     11.736232     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00001502960260
                2s
                   +0 :               0.00003921033501
                3s
                   +0 :              -0.00008873088198
                2p
                   -1 :               0.00007004893790
                   +0 :               0.00014102256449
                   +1 :              -0.00026617749148
                3p
                   -1 :              -0.00015916701331
                   +0 :              -0.00004617959039
                   +1 :               0.00028435423337
                3d
                   -2 :               0.00002768102034
                   -1 :              -0.00000179448956
                   +0 :               0.00001507858057
                   +1 :              -0.00000681275502
                   +2 :               0.00000193647013
             12 vec=     5.187034    -15.215042     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00000502126161
                2s
                   +0 :              -0.00001201706301
                3s
                   +0 :               0.00001335221364
                2p
                   -1 :              -0.00004753275708
                   +0 :               0.00009057813568
                   +1 :              -0.00004785145297
                3p
                   -1 :               0.00001143044380
                   +0 :              -0.00007344023046
                   +1 :               0.00002104507023
                3d
                   -2 :              -0.00000620106669
                   -1 :              -0.00000012570481
                   +0 :               0.00000382601440
                   +1 :              -0.00000103779641
                   +2 :              -0.00000013094152
             13 vec=    -2.593128     16.228111     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00001188719448
                2s
                   +0 :              -0.00007290647858
                3s
                   +0 :               0.00004139229186
                2p
                   -1 :              -0.00009770724952
                   +0 :              -0.00005453946746
                   +1 :               0.00002537673814
                3p
                   -1 :               0.00007879019905
                   +0 :               0.00002911095871
                   +1 :              -0.00002894505649
                3d
                   -2 :              -0.00000776054181
                   -1 :              -0.00000022798875
                   +0 :               0.00000074159823
                   +1 :               0.00000358180687
                   +2 :              -0.00000236090316
             14 vec=    12.967197    -10.723163     -4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00002132558702
                2s
                   +0 :               0.00017097103206
                3s
                   +0 :              -0.00005962112844
                2p
                   -1 :               0.00000829076746
                   +0 :              -0.00006939813728
                   +1 :               0.00015795525906
                3p
                   -1 :              -0.00002278913611
                   +0 :               0.00002673671670
                   +1 :              -0.00009664393476
                3d
                   -2 :              -0.00000564067514
                   -1 :               0.00000159684063
                   +0 :               0.00000196513362
                   +1 :               0.00000285112663
                   +2 :               0.00000032639976
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 18)  npairs=  14
              1 vec=     2.803193     -1.376461     -4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00067397894611
                2s
                   +0 :               0.03412448264678
                3s
                   +0 :               0.00009390006191
                2p
                   -1 :              -0.00940757716479
                   +0 :              -0.02152764330250
                   +1 :               0.00555981258843
                3p
                   -1 :               0.00009286906369
                   +0 :              -0.00175198790637
                   +1 :               0.00158974108723
                3d
                   -2 :              -0.00052616309684
                   -1 :               0.00131961356565
                   +0 :               0.00180616455303
                   +1 :              -0.00155822211963
                   +2 :               0.00007813670180
              2 vec=    -4.976970      3.115418     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00175352174147
                2s
                   +0 :              -0.01125455441765
                3s
                   +0 :               0.00581743309526
                2p
                   -1 :              -0.00205259853804
                   +0 :               0.00074936819497
                   +1 :               0.01080998481880
                3p
                   -1 :               0.00051624488734
                   +0 :               0.00016865875796
                   +1 :              -0.00875950908467
                3d
                   -2 :              -0.00039248388855
                   -1 :              -0.00015642712346
                   +0 :              -0.00025279762809
                   +1 :               0.00017306665211
                   +2 :               0.00040505277368
              3 vec=    -4.976970     -5.868340     -4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00012032382809
                2s
                   +0 :              -0.00031342993940
                3s
                   +0 :               0.00002906808424
                2p
                   -1 :               0.00271205056792
                   +0 :              -0.00222794735947
                   +1 :               0.00179090370663
                3p
                   -1 :              -0.00122230247919
                   +0 :               0.00098473202729
                   +1 :              -0.00098980230971
                3d
                   -2 :               0.00005775631683
                   -1 :              -0.00006843811908
                   +0 :               0.00008501973097
                   +1 :               0.00016548339862
                   +2 :               0.00003565920092
              4 vec=     2.803193      7.607297     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00012377723936
                2s
                   +0 :               0.00048645715815
                3s
                   +0 :              -0.00018585777077
                2p
                   -1 :              -0.00221035698093
                   +0 :              -0.00258261355347
                   +1 :              -0.00280236553475
                3p
                   -1 :               0.00208209349982
                   +0 :               0.00120871441343
                   +1 :               0.00192606744169
                3d
                   -2 :               0.00005368858951
                   -1 :               0.00000896035080
                   +0 :              -0.00000071224241
                   +1 :              -0.00011100139317
                   +2 :              -0.00001208955986
              5 vec=     2.803193    -10.360219     -4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00012845675832
                2s
                   +0 :               0.00092097562433
                3s
                   +0 :              -0.00044095276674
                2p
                   -1 :              -0.00074661566762
                   +0 :              -0.00005527705574
                   +1 :              -0.00022580007503
                3p
                   -1 :               0.00050910340628
                   +0 :              -0.00003844567620
                   +1 :               0.00008304859823
                3d
                   -2 :              -0.00000466003723
                   -1 :              -0.00000836522973
                   +0 :              -0.00004700140314
                   +1 :              -0.00000345002998
                   +2 :               0.00002449774997
              6 vec=    10.583355      3.115418     -4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00003569248725
                2s
                   +0 :               0.00038593367727
                3s
                   +0 :              -0.00002243488688
                2p
                   -1 :               0.00063427592264
                   +0 :              -0.00069211411664
                   +1 :              -0.00066121224036
                3p
                   -1 :              -0.00047057754337
                   +0 :               0.00043712232248
                   +1 :               0.00071970462101
                3d
                   -2 :               0.00002196373012
                   -1 :              -0.00002692248484
                   +0 :               0.00003480239470
                   +1 :               0.00005811590580
                   +2 :               0.00011615420770
              7 vec=    10.583355     -5.868340     -4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00004074740603
                2s
                   +0 :               0.00070533928640
                3s
                   +0 :              -0.00014150468809
                2p
                   -1 :              -0.00016707896752
                   +0 :               0.00036297580232
                   +1 :              -0.00000471763150
                3p
                   -1 :               0.00010465251226
                   +0 :              -0.00030888740818
                   +1 :               0.00005343569314
                3d
                   -2 :               0.00003744912134
                   -1 :               0.00000687264301
                   +0 :               0.00002462248765
                   +1 :              -0.00000157981130
                   +2 :               0.00001971605347
              8 vec=   -12.757133     -1.376461     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00005607513357
                2s
                   +0 :              -0.00092259230165
                3s
                   +0 :               0.00004478952038
                2p
                   -1 :               0.00069331443566
                   +0 :               0.00064615856084
                   +1 :               0.00027571111699
                3p
                   -1 :              -0.00050087648593
                   +0 :              -0.00012084968809
                   +1 :              -0.00013680199509
                3d
                   -2 :               0.00000303225449
                   -1 :              -0.00000392147466
                   +0 :              -0.00003210273284
                   +1 :              -0.00000293611583
                   +2 :              -0.00002268295766
              9 vec=    -4.976970     12.099176     -4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00007405748831
                2s
                   +0 :              -0.00058457307739
                3s
                   +0 :               0.00016214882761
                2p
                   -1 :              -0.00013188738512
                   +0 :               0.00035294978745
                   +1 :               0.00020615266793
                3p
                   -1 :               0.00007292056339
                   +0 :              -0.00010223778880
                   +1 :              -0.00026738158557
                3d
                   -2 :              -0.00002879620731
                   -1 :               0.00000828103324
                   +0 :              -0.00001366720506
                   +1 :               0.00002774694372
                   +2 :              -0.00001781263194
             10 vec=   -12.757133      7.607297     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00003923775223
                2s
                   +0 :              -0.00029011047490
                3s
                   +0 :               0.00008516193504
                2p
                   -1 :              -0.00010241252785
                   +0 :               0.00010034585724
                   +1 :               0.00006383119182
                3p
                   -1 :               0.00001736802967
                   +0 :              -0.00003885270434
                   +1 :               0.00001322354606
                3d
                   -2 :               0.00000549419265
                   -1 :              -0.00000471261014
                   +0 :               0.00000184604508
                   +1 :              -0.00000268459205
                   +2 :              -0.00001566080481
             11 vec=    -4.976970    -14.852098     -4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00001456990809
                2s
                   +0 :               0.00005898229584
                3s
                   +0 :              -0.00006313294777
                2p
                   -1 :              -0.00000268603194
                   +0 :              -0.00001456937611
                   +1 :              -0.00003484426521
                3p
                   -1 :               0.00004382874747
                   +0 :               0.00003631408728
                   +1 :               0.00000435052442
                3d
                   -2 :               0.00000240998681
                   -1 :              -0.00000444116983
                   +0 :              -0.00000022158195
                   +1 :               0.00000360092376
                   +2 :              -0.00000046515000
             12 vec=    10.583355     12.099176     -4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00003080585912
                2s
                   +0 :               0.00020946739340
                3s
                   +0 :              -0.00006569898354
                2p
                   -1 :               0.00010975181495
                   +0 :               0.00011958299032
                   +1 :               0.00009786577402
                3p
                   -1 :              -0.00001751138103
                   +0 :              -0.00015209059315
                   +1 :              -0.00003267765431
                3d
                   -2 :               0.00000483010404
                   -1 :              -0.00000684045129
                   +0 :              -0.00000612591379
                   +1 :              -0.00000996148723
                   +2 :               0.00000838037796
             13 vec=   -12.757133    -10.360219     -4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00002273687031
                2s
                   +0 :              -0.00016564386399
                3s
                   +0 :               0.00004149468142
                2p
                   -1 :               0.00015552584365
                   +0 :               0.00000686208286
                   +1 :               0.00002634102725
                3p
                   -1 :              -0.00009683162919
                   +0 :               0.00002161927546
                   +1 :               0.00001651559087
                3d
                   -2 :              -0.00000445566340
                   -1 :               0.00000323789981
                   +0 :              -0.00000627801434
                   +1 :               0.00000283509289
                   +2 :              -0.00001059283377
             14 vec=     2.803193     16.591055     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00001857712002
                2s
                   +0 :               0.00009970648678
                3s
                   +0 :              -0.00005732194769
                2p
                   -1 :              -0.00000066142240
                   +0 :               0.00001185997994
                   +1 :              -0.00001605217359
                3p
                   -1 :               0.00000316542586
                   +0 :              -0.00000880462102
                   +1 :               0.00002443844938
                3d
                   -2 :               0.00001031985132
                   -1 :              -0.00000145767852
                   +0 :               0.00000006613229
                   +1 :              -0.00000325021084
                   +2 :               0.00000244351203
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 19)  npairs=  15
              1 vec=    -5.186256     -0.000299     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00015530835875
                2s
                   +0 :              -0.00188956953857
                3s
                   +0 :               0.00020024928614
                2p
                   -1 :              -0.00110516702997
                   +0 :               0.00147857029914
                   +1 :              -0.00001161058995
                3p
                   -1 :              -0.00035663026603
                   +0 :              -0.00015405791350
                   +1 :               0.00054671545571
                3d
                   -2 :               0.00005875604217
                   -1 :               0.00009148666795
                   +0 :               0.00002988899537
                   +1 :              -0.00015429777441
                   +2 :               0.00008076675965
              2 vec=     2.593906      4.491580     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00012901355337
                2s
                   +0 :              -0.00112882226484
                3s
                   +0 :               0.00024553226643
                2p
                   -1 :               0.00019559158854
                   +0 :              -0.00008307305459
                   +1 :               0.00084144845241
                3p
                   -1 :              -0.00034855710590
                   +0 :               0.00048311739266
                   +1 :              -0.00063176892721
                3d
                   -2 :              -0.00002944538573
                   -1 :               0.00014607763000
                   +0 :              -0.00007312743914
                   +1 :              -0.00003606995584
                   +2 :              -0.00005343179679
              3 vec=     2.593906     -4.492178     -8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00035913173069
                2s
                   +0 :               0.00281080539399
                3s
                   +0 :              -0.00053601066162
                2p
                   -1 :              -0.00235754585209
                   +0 :              -0.00252292020008
                   +1 :               0.00069122467574
                3p
                   -1 :               0.00021589724235
                   +0 :               0.00001462159696
                   +1 :              -0.00102859060785
                3d
                   -2 :               0.00008540375488
                   -1 :               0.00019556630043
                   +0 :               0.00005185988525
                   +1 :               0.00015073467486
                   +2 :              -0.00013895475373
              4 vec=    -5.186256      8.983459     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00004251366705
                2s
                   +0 :               0.00001917036290
                3s
                   +0 :              -0.00003052698683
                2p
                   -1 :               0.00030479352697
                   +0 :               0.00010155883153
                   +1 :               0.00059565766147
                3p
                   -1 :              -0.00021625917314
                   +0 :               0.00012255479916
                   +1 :              -0.00054526786942
                3d
                   -2 :              -0.00005468382049
                   -1 :              -0.00002258012983
                   +0 :              -0.00002041446011
                   +1 :               0.00000081538367
                   +2 :              -0.00003072787960
              5 vec=    -5.186256     -8.984057     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000818862568
                2s
                   +0 :              -0.00008882207434
                3s
                   +0 :              -0.00005816625256
                2p
                   -1 :              -0.00005746111339
                   +0 :              -0.00020235164094
                   +1 :              -0.00015270641057
                3p
                   -1 :               0.00006961108295
                   +0 :               0.00013143998356
                   +1 :               0.00012576585907
                3d
                   -2 :               0.00000396703060
                   -1 :              -0.00001696520370
                   +0 :              -0.00001549505867
                   +1 :               0.00001392411298
                   +2 :               0.00002252009436
              6 vec=    10.374069     -0.000299     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00001857917746
                2s
                   +0 :               0.00045346229002
                3s
                   +0 :               0.00007075415376
                2p
                   -1 :               0.00041085274694
                   +0 :              -0.00050056302896
                   +1 :               0.00050575436180
                3p
                   -1 :              -0.00023185023220
                   +0 :               0.00036882289044
                   +1 :              -0.00023669826410
                3d
                   -2 :              -0.00002697934308
                   -1 :              -0.00000482974941
                   +0 :              -0.00006526650440
                   +1 :               0.00002506475974
                   +2 :              -0.00000340113657
              7 vec=   -12.966419      4.491580     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00000368015606
                2s
                   +0 :              -0.00000525700003
                3s
                   +0 :              -0.00003800582794
                2p
                   -1 :              -0.00012839868419
                   +0 :               0.00033925527792
                   +1 :              -0.00018910899069
                3p
                   -1 :               0.00007704432290
                   +0 :              -0.00022480503418
                   +1 :               0.00021464455039
                3d
                   -2 :              -0.00000265069069
                   -1 :              -0.00001993159741
                   +0 :               0.00002584736788
                   +1 :              -0.00000711284621
                   +2 :              -0.00002345691123
              8 vec=   -12.966419     -4.492178     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00000286324405
                2s
                   +0 :              -0.00006181754261
                3s
                   +0 :              -0.00002317320217
                2p
                   -1 :               0.00001984075371
                   +0 :               0.00024883007131
                   +1 :               0.00000758564923
                3p
                   -1 :               0.00002274023118
                   +0 :              -0.00011721998923
                   +1 :               0.00003616836774
                3d
                   -2 :               0.00000230020017
                   -1 :              -0.00000913308484
                   +0 :              -0.00000520758831
                   +1 :               0.00000202070256
                   +2 :               0.00000088207776
              9 vec=     2.593906     13.475338     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000942607316
                2s
                   +0 :               0.00007757303375
                3s
                   +0 :              -0.00003951532635
                2p
                   -1 :              -0.00002662250136
                   +0 :              -0.00009871004552
                   +1 :              -0.00011515364318
                3p
                   -1 :               0.00003474586163
                   +0 :               0.00005664635645
                   +1 :               0.00005409052465
                3d
                   -2 :               0.00001082273245
                   -1 :               0.00001018006659
                   +0 :              -0.00000749916163
                   +1 :              -0.00000464987333
                   +2 :              -0.00000059856287
             10 vec=    10.374069      8.983459     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00003098862662
                2s
                   +0 :               0.00022971742628
                3s
                   +0 :              -0.00008810963562
                2p
                   -1 :               0.00007741140348
                   +0 :              -0.00011205647307
                   +1 :               0.00014166083916
                3p
                   -1 :              -0.00000225224417
                   +0 :               0.00007328515623
                   +1 :              -0.00009142014852
                3d
                   -2 :              -0.00000892237691
                   -1 :              -0.00000375800901
                   +0 :               0.00000810715620
                   +1 :               0.00001434533559
                   +2 :               0.00002182358155
             11 vec=     2.593906    -13.475936     -8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00000738399887
                2s
                   +0 :               0.00004322716528
                3s
                   +0 :              -0.00002900204989
                2p
                   -1 :              -0.00006189844677
                   +0 :               0.00001699589398
                   +1 :              -0.00001188679872
                3p
                   -1 :               0.00006640552890
                   +0 :              -0.00003066741023
                   +1 :              -0.00001861461786
                3d
                   -2 :               0.00000435242637
                   -1 :               0.00000343061714
                   +0 :               0.00000568035905
                   +1 :              -0.00000710756212
                   +2 :              -0.00000154094321
             12 vec=    10.374069     -8.984057     -8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00001014828964
                2s
                   +0 :              -0.00002726349096
                3s
                   +0 :               0.00005579930372
                2p
                   -1 :              -0.00004767409499
                   +0 :              -0.00006521221198
                   +1 :               0.00001749163332
                3p
                   -1 :               0.00001878287146
                   +0 :               0.00004075840910
                   +1 :               0.00002911834500
                3d
                   -2 :              -0.00000615055718
                   -1 :              -0.00000084151977
                   +0 :              -0.00000513063255
                   +1 :               0.00000535020128
                   +2 :               0.00000421362085
             13 vec=    -5.186256     -0.000299     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000832254992
                2s
                   +0 :               0.00005530591412
                3s
                   +0 :              -0.00003559409435
                2p
                   -1 :              -0.00003559164729
                   +0 :               0.00001377900702
                   +1 :               0.00007184837939
                3p
                   -1 :               0.00003570722245
                   +0 :              -0.00000845509547
                   +1 :              -0.00005723262707
                3d
                   -2 :              -0.00000025407693
                   -1 :               0.00000183638784
                   +0 :               0.00000031135193
                   +1 :              -0.00000047637970
                   +2 :               0.00000046014503
             14 vec=     2.593906      4.491580     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00002664102472
                2s
                   +0 :               0.00017313977481
                3s
                   +0 :              -0.00007287859043
                2p
                   -1 :              -0.00004417663788
                   +0 :               0.00017879318612
                   +1 :              -0.00007291738216
                3p
                   -1 :               0.00005405882785
                   +0 :              -0.00011952998862
                   +1 :               0.00003917185813
                3d
                   -2 :               0.00000527346086
                   -1 :               0.00000589225086
                   +0 :              -0.00000135503439
                   +1 :              -0.00000185688987
                   +2 :              -0.00000916137345
             15 vec=     2.593906     -4.492178     16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00001457057351
                2s
                   +0 :               0.00008111151342
                3s
                   +0 :              -0.00005241934761
                2p
                   -1 :              -0.00017076175263
                   +0 :               0.00010148604906
                   +1 :              -0.00002725857125
                3p
                   -1 :               0.00013857874651
                   +0 :              -0.00009275561237
                   +1 :              -0.00000274938362
                3d
                   -2 :               0.00000248401759
                   -1 :               0.00000483261288
                   +0 :              -0.00000014097819
                   +1 :              -0.00000178505646
                   +2 :               0.00000220630347
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 20)  npairs=  15
              1 vec=    -2.174296      4.491580     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00000238231620
                2s
                   +0 :               0.00040395282314
                3s
                   +0 :               0.00010884059309
                2p
                   -1 :               0.00060017525264
                   +0 :              -0.00012239315163
                   +1 :              -0.00400646871778
                3p
                   -1 :               0.00024655118577
                   +0 :              -0.00101841277973
                   +1 :               0.00273038617325
                3d
                   -2 :              -0.00006065151377
                   -1 :              -0.00009698976128
                   +0 :               0.00001975693846
                   +1 :              -0.00018808611681
                   +2 :               0.00000380906001
              2 vec=    -2.174296     -4.492178     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00047344811407
                2s
                   +0 :              -0.00401127636577
                3s
                   +0 :               0.00104338058673
                2p
                   -1 :               0.00182658326148
                   +0 :               0.00382719678386
                   +1 :              -0.00153727704903
                3p
                   -1 :               0.00014738935665
                   +0 :              -0.00106729149131
                   +1 :               0.00046615076120
                3d
                   -2 :               0.00007005211822
                   -1 :              -0.00013518015825
                   +0 :               0.00002303974473
                   +1 :               0.00003156350344
                   +2 :               0.00010835726856
              3 vec=     5.605867     -0.000299     -8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00028875145490
                2s
                   +0 :               0.00225809871583
                3s
                   +0 :              -0.00041161969282
                2p
                   -1 :               0.00225806070625
                   +0 :              -0.00064063400308
                   +1 :               0.00234792327395
                3p
                   -1 :              -0.00118413160787
                   +0 :              -0.00091039494949
                   +1 :              -0.00108977723213
                3d
                   -2 :               0.00011839921590
                   -1 :              -0.00009199262476
                   +0 :               0.00000359214625
                   +1 :               0.00005086125038
                   +2 :              -0.00005667743927
              4 vec=    -9.954459     -0.000299     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00013873458071
                2s
                   +0 :              -0.00121827528100
                3s
                   +0 :               0.00045445537990
                2p
                   -1 :              -0.00007802350829
                   +0 :               0.00028751486474
                   +1 :               0.00060075103379
                3p
                   -1 :               0.00001525403558
                   +0 :              -0.00014468928718
                   +1 :              -0.00042879974211
                3d
                   -2 :              -0.00000934369130
                   -1 :               0.00000072776404
                   +0 :              -0.00001356381981
                   +1 :               0.00004593387798
                   +2 :               0.00003312737317
              5 vec=     5.605867      8.983459     -8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00004168359601
                2s
                   +0 :               0.00036065958038
                3s
                   +0 :              -0.00007549957240
                2p
                   -1 :              -0.00004179051556
                   +0 :               0.00003724362516
                   +1 :               0.00019268504175
                3p
                   -1 :               0.00014609500554
                   +0 :              -0.00014713216497
                   +1 :              -0.00009688298038
                3d
                   -2 :               0.00000090293157
                   -1 :              -0.00003561464677
                   +0 :              -0.00003392035522
                   +1 :               0.00004373535822
                   +2 :               0.00001163078232
              6 vec=     5.605867     -8.984057     -8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00004130492381
                2s
                   +0 :               0.00057237819521
                3s
                   +0 :              -0.00006729726468
                2p
                   -1 :              -0.00012530025488
                   +0 :              -0.00024765647750
                   +1 :               0.00029406415937
                3p
                   -1 :              -0.00012099273467
                   +0 :               0.00015469577040
                   +1 :              -0.00019906604010
                3d
                   -2 :              -0.00001799698133
                   -1 :               0.00000568323007
                   +0 :              -0.00001090646862
                   +1 :               0.00000945014755
                   +2 :              -0.00001781319443
              7 vec=    -9.954459      8.983459     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00000547300622
                2s
                   +0 :              -0.00000116395598
                3s
                   +0 :              -0.00005339496678
                2p
                   -1 :              -0.00005860636567
                   +0 :              -0.00004222754944
                   +1 :              -0.00017679704730
                3p
                   -1 :              -0.00000462967481
                   +0 :               0.00010891809555
                   +1 :               0.00019931193768
                3d
                   -2 :              -0.00000392302772
                   -1 :               0.00001434305334
                   +0 :              -0.00000611726566
                   +1 :               0.00000343108047
                   +2 :               0.00001696123735
              8 vec=    -9.954459     -8.984057     -8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00003155693202
                2s
                   +0 :              -0.00027088553315
                3s
                   +0 :               0.00008971926582
                2p
                   -1 :               0.00016376056929
                   +0 :               0.00019442759303
                   +1 :               0.00021110152382
                3p
                   -1 :              -0.00005857855364
                   +0 :              -0.00014733516107
                   +1 :              -0.00013067425004
                3d
                   -2 :              -0.00000222733848
                   -1 :               0.00000513894556
                   +0 :               0.00001074315806
                   +1 :               0.00000747300266
                   +2 :               0.00000962284748
              9 vec=    -2.174296     13.475338     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00003411673399
                2s
                   +0 :              -0.00024265627014
                3s
                   +0 :               0.00009095095143
                2p
                   -1 :              -0.00013306346444
                   +0 :               0.00003319020511
                   +1 :              -0.00005719336249
                3p
                   -1 :               0.00007822091400
                   +0 :               0.00005037751371
                   +1 :               0.00004408369395
                3d
                   -2 :               0.00000777944381
                   -1 :               0.00001063011088
                   +0 :               0.00000362055023
                   +1 :               0.00000161639299
                   +2 :              -0.00000223029540
             10 vec=    -2.174296    -13.475936     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00001555579859
                2s
                   +0 :               0.00012123897962
                3s
                   +0 :              -0.00005518870983
                2p
                   -1 :              -0.00006645088873
                   +0 :              -0.00000640474137
                   +1 :              -0.00005397444179
                3p
                   -1 :               0.00003817402104
                   +0 :               0.00002612405875
                   +1 :               0.00004626728004
                3d
                   -2 :              -0.00000712540854
                   -1 :              -0.00000039092876
                   +0 :               0.00000005987823
                   +1 :               0.00000378878729
                   +2 :              -0.00000230530986
             11 vec=    13.386029      4.491580     -8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00002140183376
                2s
                   +0 :              -0.00006739948804
                3s
                   +0 :               0.00009726659643
                2p
                   -1 :               0.00021114143624
                   +0 :               0.00008407803966
                   +1 :              -0.00001151572250
                3p
                   -1 :              -0.00014244936025
                   +0 :              -0.00012005185245
                   +1 :               0.00008090433303
                3d
                   -2 :              -0.00000172816978
                   -1 :               0.00000719443707
                   +0 :               0.00000626962031
                   +1 :              -0.00000947029898
                   +2 :              -0.00000213350271
             12 vec=    13.386029     -4.492178     -8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00002913620723
                2s
                   +0 :               0.00023545912969
                3s
                   +0 :              -0.00006849979376
                2p
                   -1 :              -0.00001433780638
                   +0 :              -0.00012466664432
                   +1 :               0.00030091780477
                3p
                   -1 :              -0.00003679595312
                   +0 :               0.00003943249930
                   +1 :              -0.00017944166208
                3d
                   -2 :               0.00000217519996
                   -1 :               0.00000459775883
                   +0 :               0.00000740603988
                   +1 :               0.00001172058339
                   +2 :              -0.00000902941801
             13 vec=    -2.174296      4.491580     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000360481798
                2s
                   +0 :               0.00000540397992
                3s
                   +0 :              -0.00002196306625
                2p
                   -1 :               0.00004848978737
                   +0 :               0.00009087004109
                   +1 :              -0.00012179598036
                3p
                   -1 :              -0.00005509262532
                   +0 :              -0.00009402604977
                   +1 :               0.00007985583218
                3d
                   -2 :              -0.00000175364461
                   -1 :              -0.00000135245367
                   +0 :               0.00000191037219
                   +1 :               0.00000454234430
                   +2 :              -0.00000583870700
             14 vec=    -2.174296     -4.492178     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000075131297
                2s
                   +0 :               0.00002900229011
                3s
                   +0 :              -0.00000046931241
                2p
                   -1 :               0.00001648678026
                   +0 :               0.00001207716116
                   +1 :              -0.00006308480416
                3p
                   -1 :               0.00000922747814
                   +0 :               0.00000776041367
                   +1 :               0.00004317979355
                3d
                   -2 :              -0.00000265798626
                   -1 :               0.00000349167365
                   +0 :               0.00000822723799
                   +1 :              -0.00000038770361
                   +2 :              -0.00000241575940
             15 vec=     5.605867     -0.000299     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00001308701093
                2s
                   +0 :               0.00007888214721
                3s
                   +0 :              -0.00002170114050
                2p
                   -1 :               0.00005144825825
                   +0 :               0.00007744832784
                   +1 :               0.00001159842012
                3p
                   -1 :              -0.00006442445481
                   +0 :              -0.00003804231336
                   +1 :              -0.00001399469095
                3d
                   -2 :              -0.00000964262504
                   -1 :              -0.00000597554724
                   +0 :               0.00000520275633
                   +1 :               0.00000020119357
                   +2 :              -0.00000467429676
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 21)  npairs=  14
              1 vec=     0.209805     -0.362794     -8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00034395908130
                2s
                   +0 :               0.00212735152471
                3s
                   +0 :              -0.00066020276631
                2p
                   -1 :              -0.00074671826342
                   +0 :              -0.00200328794744
                   +1 :              -0.00353771274992
                3p
                   -1 :               0.00051715884531
                   +0 :               0.00088638960427
                   +1 :               0.00185767761342
                3d
                   -2 :              -0.00011358227322
                   -1 :               0.00000391547620
                   +0 :               0.00009574227728
                   +1 :              -0.00009446921383
                   +2 :               0.00004670826900
              2 vec=    -7.570358      4.129085     -8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00011801633471
                2s
                   +0 :               0.00057033264889
                3s
                   +0 :              -0.00029957142686
                2p
                   -1 :              -0.00099644297174
                   +0 :              -0.00044770066709
                   +1 :               0.00120873091234
                3p
                   -1 :               0.00072937073409
                   +0 :               0.00026651509762
                   +1 :              -0.00116323879394
                3d
                   -2 :              -0.00005782297421
                   -1 :               0.00003044112937
                   +0 :              -0.00002549212328
                   +1 :               0.00009257728248
                   +2 :               0.00008932029160
              3 vec=     0.209805      8.620964     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00006874640668
                2s
                   +0 :               0.00051086080364
                3s
                   +0 :              -0.00027500815443
                2p
                   -1 :               0.00036387714251
                   +0 :              -0.00008390244412
                   +1 :               0.00016905658283
                3p
                   -1 :              -0.00032677775607
                   +0 :               0.00009773626467
                   +1 :              -0.00046148406594
                3d
                   -2 :              -0.00007259012329
                   -1 :               0.00001527102338
                   +0 :               0.00002041665684
                   +1 :               0.00005507304877
                   +2 :               0.00001293148326
              4 vec=    -7.570358     -4.854673     -8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00012419594098
                2s
                   +0 :              -0.00123580120811
                3s
                   +0 :               0.00026283437704
                2p
                   -1 :               0.00087216384972
                   +0 :               0.00051118643298
                   +1 :               0.00069358072078
                3p
                   -1 :              -0.00034290365113
                   +0 :              -0.00005317464279
                   +1 :              -0.00042470394151
                3d
                   -2 :              -0.00001122859414
                   -1 :               0.00000295296044
                   +0 :              -0.00003066364138
                   +1 :               0.00002183370626
                   +2 :               0.00000946484721
              5 vec=     7.989968      4.129085     -8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00028201362145
                2s
                   +0 :              -0.00142965450322
                3s
                   +0 :               0.00102918574131
                2p
                   -1 :              -0.00162860137161
                   +0 :               0.00085023742861
                   +1 :              -0.00014666724702
                3p
                   -1 :               0.00161606499352
                   +0 :              -0.00076456864373
                   +1 :               0.00028131493891
                3d
                   -2 :               0.00010950906880
                   -1 :              -0.00017501866471
                   +0 :               0.00006561512328
                   +1 :              -0.00008954024511
                   +2 :              -0.00005047281505
              6 vec=     0.209805     -9.346552     -8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00003574975442
                2s
                   +0 :               0.00017275029892
                3s
                   +0 :              -0.00012052739639
                2p
                   -1 :               0.00028386931138
                   +0 :              -0.00009169156736
                   +1 :              -0.00050813921015
                3p
                   -1 :              -0.00023777545565
                   +0 :               0.00009294916640
                   +1 :               0.00022859095601
                3d
                   -2 :               0.00000635590813
                   -1 :              -0.00000129838165
                   +0 :              -0.00000536844296
                   +1 :              -0.00001723452740
                   +2 :              -0.00001081084792
              7 vec=     7.989968     -4.854673     -8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00004105297808
                2s
                   +0 :               0.00070955056844
                3s
                   +0 :              -0.00007507856665
                2p
                   -1 :              -0.00053869463571
                   +0 :              -0.00058435190451
                   +1 :               0.00013205756127
                3p
                   -1 :               0.00026928095766
                   +0 :               0.00015306668236
                   +1 :               0.00002989073667
                3d
                   -2 :               0.00003170570296
                   -1 :              -0.00000882409726
                   +0 :               0.00004183924588
                   +1 :              -0.00001243919231
                   +2 :               0.00000456188841
              8 vec=     0.209805     -0.362794     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001486423991
                2s
                   +0 :               0.00007520209730
                3s
                   +0 :              -0.00004088675754
                2p
                   -1 :               0.00005205375692
                   +0 :              -0.00000256218804
                   +1 :              -0.00003686738833
                3p
                   -1 :              -0.00004465121290
                   +0 :              -0.00000372531361
                   +1 :               0.00001447007722
                3d
                   -2 :               0.00000416889787
                   -1 :              -0.00000462950795
                   +0 :               0.00000251149938
                   +1 :              -0.00000002050892
                   +2 :               0.00001068778424
              9 vec=    -7.570358     13.112843     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00001960512290
                2s
                   +0 :               0.00011484648006
                3s
                   +0 :              -0.00009999518264
                2p
                   -1 :               0.00004564528923
                   +0 :               0.00003397664782
                   +1 :               0.00005466644958
                3p
                   -1 :              -0.00005734332166
                   +0 :              -0.00000226566476
                   +1 :              -0.00003391976266
                3d
                   -2 :              -0.00000348444902
                   -1 :               0.00000062829396
                   +0 :               0.00000223857227
                   +1 :               0.00000545904235
                   +2 :               0.00000463568774
             10 vec=   -15.350520     -0.362794     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000062871921
                2s
                   +0 :              -0.00007797552110
                3s
                   +0 :              -0.00001578499260
                2p
                   -1 :              -0.00006104130377
                   +0 :               0.00009070899012
                   +1 :               0.00000409146802
                3p
                   -1 :               0.00003185054675
                   +0 :               0.00000016356546
                   +1 :               0.00008320793820
                3d
                   -2 :               0.00000205777852
                   -1 :               0.00000577080054
                   +0 :               0.00000426660266
                   +1 :              -0.00000206156383
                   +2 :              -0.00001085721957
             11 vec=     7.989968     13.112843     -8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000871218981
                2s
                   +0 :               0.00006667556847
                3s
                   +0 :              -0.00002136404710
                2p
                   -1 :               0.00017914132623
                   +0 :               0.00002531591926
                   +1 :              -0.00011606997843
                3p
                   -1 :              -0.00012493203093
                   +0 :              -0.00003203889349
                   +1 :               0.00011372564377
                3d
                   -2 :               0.00001405795913
                   -1 :              -0.00000851561260
                   +0 :              -0.00000416155083
                   +1 :              -0.00001363908729
                   +2 :               0.00001000039011
             12 vec=    -7.570358    -13.838431     -8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00002037305127
                2s
                   +0 :              -0.00014395906060
                3s
                   +0 :               0.00004458433416
                2p
                   -1 :               0.00006337648443
                   +0 :               0.00003365552434
                   +1 :               0.00000176485295
                3p
                   -1 :              -0.00000937780307
                   +0 :               0.00001512412149
                   +1 :              -0.00001828744921
                3d
                   -2 :               0.00000143541784
                   -1 :              -0.00000020748708
                   +0 :              -0.00000461328534
                   +1 :               0.00000205033720
                   +2 :              -0.00000006042655
             13 vec=    15.770130     -0.362794     -8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00000320753740
                2s
                   +0 :               0.00002693170318
                3s
                   +0 :               0.00002468360935
                2p
                   -1 :              -0.00009902009094
                   +0 :               0.00007190458995
                   +1 :              -0.00002638766862
                3p
                   -1 :               0.00009147727523
                   +0 :              -0.00008632083019
                   +1 :               0.00007219446939
                3d
                   -2 :               0.00000845949767
                   -1 :              -0.00000462397638
                   +0 :               0.00000996089432
                   +1 :              -0.00000693926142
                   +2 :               0.00000770895166
             14 vec=     7.989968    -13.838431     -8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00001105579288
                2s
                   +0 :               0.00009965244606
                3s
                   +0 :              -0.00002708347743
                2p
                   -1 :              -0.00008326998236
                   +0 :              -0.00005253131558
                   +1 :              -0.00000788950866
                3p
                   -1 :               0.00002147203752
                   +0 :               0.00002814455824
                   +1 :               0.00001243161445
                3d
                   -2 :               0.00000014490982
                   -1 :              -0.00000092530640
                   +0 :              -0.00000067005516
                   +1 :              -0.00000130086563
                   +2 :              -0.00000039713301
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 22)  npairs=  14
              1 vec=    -2.173777     -1.739555      4.091257   |vec|=    4.948711
                1s
                   +0 :               0.00066138955602
                2s
                   +0 :              -0.03554269193001
                3s
                   +0 :               0.00066363715145
                2p
                   -1 :               0.00969990584276
                   +0 :              -0.02901568650801
                   +1 :               0.00342206656865
                3p
                   -1 :               0.00072133557242
                   +0 :               0.00563748087461
                   +1 :               0.00117360578869
                3d
                   -2 :              -0.00076638793073
                   -1 :               0.00049425239796
                   +0 :              -0.00063212055376
                   +1 :              -0.00028952621835
                   +2 :               0.00038832377055
              2 vec=     5.606385      2.752324      4.091257   |vec|=    7.466273
                1s
                   +0 :               0.00039883294373
                2s
                   +0 :              -0.00223720258026
                3s
                   +0 :               0.00139278897345
                2p
                   -1 :               0.00349615353712
                   +0 :              -0.00450053099146
                   +1 :              -0.00030739660519
                3p
                   -1 :              -0.00241150051188
                   +0 :               0.00497789358832
                   +1 :               0.00170913681595
                3d
                   -2 :              -0.00011349528777
                   -1 :              -0.00000608345092
                   +0 :               0.00015605113354
                   +1 :              -0.00038000165893
                   +2 :              -0.00006499416147
              3 vec=    -2.173777      7.244203      4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00027864363126
                2s
                   +0 :              -0.00165407342855
                3s
                   +0 :               0.00093825510352
                2p
                   -1 :              -0.00148061261013
                   +0 :              -0.00470687292120
                   +1 :              -0.00024078592392
                3p
                   -1 :               0.00107989371391
                   +0 :               0.00200590837625
                   +1 :              -0.00036555643497
                3d
                   -2 :              -0.00005224120790
                   -1 :               0.00025141209213
                   +0 :              -0.00026626703459
                   +1 :              -0.00019476852442
                   +2 :              -0.00015490306856
              4 vec=     5.606385     -6.231434      4.091257   |vec|=    9.327417
                1s
                   +0 :              -0.00032750275586
                2s
                   +0 :               0.00208956370330
                3s
                   +0 :              -0.00059582609580
                2p
                   -1 :              -0.00092549830383
                   +0 :               0.00121088370615
                   +1 :              -0.00070189725829
                3p
                   -1 :               0.00016979343277
                   +0 :              -0.00066317069062
                   +1 :               0.00112635551264
                3d
                   -2 :              -0.00001935134557
                   -1 :               0.00010269057003
                   +0 :               0.00004829374135
                   +1 :               0.00003832006753
                   +2 :              -0.00001124243648
              5 vec=    -9.953940      2.752324      4.091257   |vec|=   11.108312
                1s
                   +0 :              -0.00019664310530
                2s
                   +0 :               0.00071699755457
                3s
                   +0 :              -0.00057915394369
                2p
                   -1 :               0.00051081178803
                   +0 :              -0.00101279302415
                   +1 :               0.00131875597797
                3p
                   -1 :              -0.00062192834919
                   +0 :               0.00036095962749
                   +1 :              -0.00068476514901
                3d
                   -2 :              -0.00004154923120
                   -1 :               0.00001357567117
                   +0 :              -0.00009170614986
                   +1 :               0.00002304027156
                   +2 :               0.00005103362715
              6 vec=    -2.173777    -10.723313      4.091257   |vec|=   11.681316
                1s
                   +0 :              -0.00004479257566
                2s
                   +0 :               0.00015746633512
                3s
                   +0 :              -0.00006872024649
                2p
                   -1 :              -0.00026376251379
                   +0 :               0.00013949930562
                   +1 :               0.00012403250211
                3p
                   -1 :               0.00028815806669
                   +0 :              -0.00010846835554
                   +1 :              -0.00027089363530
                3d
                   -2 :               0.00004055676731
                   -1 :              -0.00004109331890
                   +0 :               0.00002644268217
                   +1 :              -0.00001792226413
                   +2 :              -0.00004955564559
              7 vec=    -9.953940     -6.231434      4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00002112244482
                2s
                   +0 :              -0.00050616536734
                3s
                   +0 :               0.00001192312955
                2p
                   -1 :               0.00030106233808
                   +0 :              -0.00072585181239
                   +1 :               0.00046006988853
                3p
                   -1 :              -0.00024026833247
                   +0 :               0.00044622686520
                   +1 :              -0.00034137433054
                3d
                   -2 :               0.00002499099813
                   -1 :              -0.00001425338833
                   +0 :               0.00001537804249
                   +1 :              -0.00002916256182
                   +2 :              -0.00000935095910
              8 vec=     5.606385     11.736082      4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00000471561644
                2s
                   +0 :               0.00026336392565
                3s
                   +0 :               0.00000620350999
                2p
                   -1 :               0.00014995968443
                   +0 :               0.00036334159816
                   +1 :               0.00010066143240
                3p
                   -1 :               0.00003428832310
                   +0 :               0.00000272286979
                   +1 :              -0.00024275676689
                3d
                   -2 :              -0.00001559546372
                   -1 :               0.00001835262248
                   +0 :               0.00000649498828
                   +1 :              -0.00000635312400
                   +2 :              -0.00001325840999
              9 vec=    13.386548     -1.739555      4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00008208317657
                2s
                   +0 :               0.00075588194336
                3s
                   +0 :              -0.00018597480274
                2p
                   -1 :              -0.00049518884813
                   +0 :               0.00046422610248
                   +1 :               0.00034281328988
                3p
                   -1 :               0.00027749046838
                   +0 :              -0.00017402608294
                   +1 :              -0.00008768123525
                3d
                   -2 :               0.00002671929645
                   -1 :               0.00001547436738
                   +0 :               0.00002078988439
                   +1 :              -0.00001916874308
                   +2 :              -0.00000187283733
             10 vec=    13.386548      7.244203      4.091257   |vec|=   15.761235
                1s
                   +0 :               0.00000766294814
                2s
                   +0 :               0.00000684167505
                3s
                   +0 :               0.00003114704753
                2p
                   -1 :               0.00012677918224
                   +0 :               0.00014604165143
                   +1 :              -0.00010745548052
                3p
                   -1 :              -0.00009135068914
                   +0 :              -0.00007101207980
                   +1 :               0.00011834381127
                3d
                   -2 :               0.00000968912883
                   -1 :              -0.00001057564318
                   +0 :               0.00000116873535
                   +1 :              -0.00000480498806
                   +2 :               0.00001512402127
             11 vec=    -9.953940     11.736082      4.091257   |vec|=   15.923408
                1s
                   +0 :               0.00003787637033
                2s
                   +0 :              -0.00028346682136
                3s
                   +0 :               0.00010872422671
                2p
                   -1 :              -0.00014846900923
                   +0 :              -0.00005782118831
                   +1 :               0.00017128760672
                3p
                   -1 :               0.00001912037869
                   +0 :               0.00000135241510
                   +1 :              -0.00012553704492
                3d
                   -2 :               0.00000244336656
                   -1 :              -0.00000218152575
                   +0 :               0.00001573626444
                   +1 :              -0.00000528325305
                   +2 :               0.00000571718737
             12 vec=     5.606385    -15.215192      4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00000891679508
                2s
                   +0 :               0.00005705736359
                3s
                   +0 :              -0.00002292713693
                2p
                   -1 :              -0.00013371070788
                   +0 :               0.00003169982775
                   +1 :              -0.00000707427616
                3p
                   -1 :               0.00007041079284
                   +0 :              -0.00002937040406
                   +1 :              -0.00003263750720
                3d
                   -2 :               0.00000451523357
                   -1 :              -0.00000056271865
                   +0 :               0.00000128512073
                   +1 :              -0.00000337317238
                   +2 :               0.00000048834989
             13 vec=    -2.173777     16.227961      4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00000329402930
                2s
                   +0 :              -0.00002485163022
                3s
                   +0 :               0.00000904591886
                2p
                   -1 :               0.00006291901629
                   +0 :               0.00000109731280
                   +1 :              -0.00010517657112
                3p
                   -1 :              -0.00007668869668
                   +0 :               0.00000247076005
                   +1 :               0.00008038439738
                3d
                   -2 :               0.00000256370818
                   -1 :               0.00000233307084
                   +0 :              -0.00000126638980
                   +1 :              -0.00000123385731
                   +2 :              -0.00000144935043
             14 vec=    13.386548    -10.723313      4.091257   |vec|=   17.633136
                1s
                   +0 :              -0.00000764809631
                2s
                   +0 :               0.00009176073062
                3s
                   +0 :              -0.00000028411229
                2p
                   -1 :              -0.00003185458427
                   +0 :               0.00005885035634
                   +1 :               0.00005442863751
                3p
                   -1 :              -0.00001824500985
                   +0 :              -0.00002512296048
                   +1 :               0.00001005677010
                3d
                   -2 :               0.00000277485235
                   -1 :               0.00000490170827
                   +0 :              -0.00000232122841
                   +1 :               0.00000234041872
                   +2 :              -0.00000253532204
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 23)  npairs=  14
              1 vec=     2.593388     -1.739555      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00202171921674
                2s
                   +0 :               0.03897617367143
                3s
                   +0 :              -0.00393564854278
                2p
                   -1 :              -0.00609697061814
                   +0 :               0.01997409915467
                   +1 :               0.01641590953616
                3p
                   -1 :              -0.00234654809015
                   +0 :               0.00101987564793
                   +1 :              -0.00807550749529
                3d
                   -2 :              -0.00052458452030
                   -1 :              -0.00182035874965
                   +0 :               0.00124298958217
                   +1 :               0.00054185156383
                   +2 :              -0.00049236739009
              2 vec=    -5.186775      2.752324      4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00117140828120
                2s
                   +0 :              -0.00681039592418
                3s
                   +0 :               0.00397465571635
                2p
                   -1 :              -0.00269549902222
                   +0 :               0.00001669966020
                   +1 :               0.00763228338631
                3p
                   -1 :               0.00179406726915
                   +0 :              -0.00062587859783
                   +1 :              -0.00610248366028
                3d
                   -2 :              -0.00039365694299
                   -1 :               0.00017346306943
                   +0 :              -0.00026374188444
                   +1 :              -0.00021761937476
                   +2 :               0.00012541238181
              3 vec=     2.593388      7.244203      4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00018545318154
                2s
                   +0 :              -0.00129139003198
                3s
                   +0 :               0.00045860453073
                2p
                   -1 :              -0.00128740686114
                   +0 :               0.00204645753365
                   +1 :              -0.00011879695525
                3p
                   -1 :               0.00077774713368
                   +0 :              -0.00059816367227
                   +1 :              -0.00041625908044
                3d
                   -2 :              -0.00013114941134
                   -1 :               0.00014855145476
                   +0 :               0.00011708462327
                   +1 :              -0.00009128336863
                   +2 :              -0.00002576213100
              4 vec=    -5.186775     -6.231434      4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00002144939444
                2s
                   +0 :              -0.00014228023926
                3s
                   +0 :               0.00000892948478
                2p
                   -1 :               0.00135383230638
                   +0 :              -0.00120571010483
                   +1 :               0.00113605071844
                3p
                   -1 :              -0.00126323906269
                   +0 :               0.00095991040430
                   +1 :              -0.00078018081612
                3d
                   -2 :               0.00005327542287
                   -1 :              -0.00003926081323
                   +0 :              -0.00003150121584
                   +1 :              -0.00003334056130
                   +2 :               0.00000854699123
              5 vec=    10.373550      2.752324      4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00016645517211
                2s
                   +0 :               0.00138051694080
                3s
                   +0 :              -0.00056375207757
                2p
                   -1 :               0.00111779445794
                   +0 :               0.00012184037042
                   +1 :               0.00140726548749
                3p
                   -1 :              -0.00089027138353
                   +0 :               0.00014469322676
                   +1 :              -0.00089925900960
                3d
                   -2 :              -0.00007999925972
                   -1 :              -0.00004509202524
                   +0 :              -0.00002101751227
                   +1 :               0.00011247858372
                   +2 :              -0.00000687521345
              6 vec=     2.593388    -10.723313      4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00002241086139
                2s
                   +0 :              -0.00016713549147
                3s
                   +0 :               0.00010709714103
                2p
                   -1 :               0.00035042067684
                   +0 :               0.00001621862783
                   +1 :               0.00010058762653
                3p
                   -1 :              -0.00043996057343
                   +0 :               0.00001816292404
                   +1 :              -0.00023836180881
                3d
                   -2 :              -0.00000496997401
                   -1 :              -0.00002119725712
                   +0 :              -0.00004417113855
                   +1 :              -0.00002411022844
                   +2 :              -0.00001491651737
              7 vec=    10.373550     -6.231434      4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00005746871518
                2s
                   +0 :               0.00082689850125
                3s
                   +0 :              -0.00014048012600
                2p
                   -1 :              -0.00005515312441
                   +0 :               0.00005309163453
                   +1 :               0.00050862519505
                3p
                   -1 :               0.00004256209229
                   +0 :               0.00005889753148
                   +1 :              -0.00024333385488
                3d
                   -2 :              -0.00002076443608
                   -1 :               0.00002352082159
                   +0 :               0.00000933511901
                   +1 :               0.00000102295285
                   +2 :              -0.00002633783154
              8 vec=    -5.186775     11.736082      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00005896020280
                2s
                   +0 :               0.00019152661721
                3s
                   +0 :              -0.00024846298728
                2p
                   -1 :              -0.00019381226879
                   +0 :              -0.00035499629480
                   +1 :              -0.00061521427610
                3p
                   -1 :               0.00015275361198
                   +0 :               0.00006913010551
                   +1 :               0.00043245463963
                3d
                   -2 :              -0.00000709588134
                   -1 :              -0.00001553066188
                   +0 :               0.00001902659033
                   +1 :              -0.00001116014546
                   +2 :              -0.00000442928400
              9 vec=   -12.966938     -1.739555      4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00007384466537
                2s
                   +0 :              -0.00094604871022
                3s
                   +0 :               0.00007036929868
                2p
                   -1 :              -0.00015140739789
                   +0 :              -0.00042178787477
                   +1 :              -0.00001153544928
                3p
                   -1 :               0.00026553917890
                   +0 :              -0.00000992203849
                   +1 :               0.00028120421903
                3d
                   -2 :              -0.00001140329585
                   -1 :               0.00003730487718
                   +0 :              -0.00001880055875
                   +1 :              -0.00000289096815
                   +2 :               0.00000026734721
             10 vec=   -12.966938      7.244203      4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00002467433301
                2s
                   +0 :              -0.00018582846030
                3s
                   +0 :               0.00003314933338
                2p
                   -1 :              -0.00019015324316
                   +0 :              -0.00006128265311
                   +1 :               0.00015336499732
                3p
                   -1 :               0.00008424252800
                   +0 :               0.00000972330795
                   +1 :              -0.00004460769868
                3d
                   -2 :               0.00000323436393
                   -1 :               0.00000176299834
                   +0 :              -0.00000165013531
                   +1 :              -0.00000059223475
                   +2 :              -0.00000295695385
             11 vec=    10.373550     11.736082      4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00001659595500
                2s
                   +0 :              -0.00005681174870
                3s
                   +0 :               0.00002028623198
                2p
                   -1 :               0.00015415447972
                   +0 :               0.00009344775591
                   +1 :               0.00006756684169
                3p
                   -1 :              -0.00005403152301
                   +0 :              -0.00004777445090
                   +1 :              -0.00002686031298
                3d
                   -2 :              -0.00000478794867
                   -1 :              -0.00001139911938
                   +0 :              -0.00000673247071
                   +1 :              -0.00000663324832
                   +2 :              -0.00000258582878
             12 vec=    -5.186775    -15.215192      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00001314984585
                2s
                   +0 :              -0.00008113508948
                3s
                   +0 :               0.00002656221511
                2p
                   -1 :               0.00002150272014
                   +0 :               0.00009773499770
                   +1 :              -0.00003132245855
                3p
                   -1 :               0.00001072674935
                   +0 :              -0.00010246416397
                   +1 :              -0.00000104127532
                3d
                   -2 :               0.00000888437386
                   -1 :               0.00000816149451
                   +0 :              -0.00000380647204
                   +1 :              -0.00000264808258
                   +2 :              -0.00000764168260
             13 vec=     2.593388     16.227961      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00001093156942
                2s
                   +0 :               0.00007453295024
                3s
                   +0 :              -0.00004065105985
                2p
                   -1 :               0.00005838939335
                   +0 :               0.00005907856588
                   +1 :              -0.00001814461769
                3p
                   -1 :              -0.00006619086819
                   +0 :              -0.00004949201206
                   +1 :              -0.00000479221662
                3d
                   -2 :               0.00000274960281
                   -1 :               0.00000586209910
                   +0 :               0.00000481085333
                   +1 :              -0.00000097035462
                   +2 :              -0.00000030591363
             14 vec=   -12.966938    -10.723313      4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00000495118509
                2s
                   +0 :              -0.00007616410868
                3s
                   +0 :              -0.00000225265517
                2p
                   -1 :               0.00002364982772
                   +0 :               0.00001720528921
                   +1 :               0.00000220195032
                3p
                   -1 :               0.00001528701364
                   +0 :              -0.00004588064040
                   +1 :               0.00005586415065
                3d
                   -2 :              -0.00000144530942
                   -1 :               0.00000115398260
                   +0 :              -0.00000289008688
                   +1 :               0.00000095411513
                   +2 :              -0.00000138259276
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 24)  npairs=  14
              1 vec=     0.209805      3.115717      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00220346538477
                2s
                   +0 :               0.01383796479038
                3s
                   +0 :              -0.00492698386150
                2p
                   -1 :               0.00621558454774
                   +0 :              -0.00054755416611
                   +1 :              -0.00176264095834
                3p
                   -1 :              -0.00449059390750
                   +0 :               0.00280362535510
                   +1 :              -0.00537624957050
                3d
                   -2 :              -0.00089253014293
                   -1 :              -0.00006844553932
                   +0 :               0.00079911462019
                   +1 :              -0.00150421190540
                   +2 :               0.00012279207841
              2 vec=     0.209805     -5.868041      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00019073296055
                2s
                   +0 :               0.00229046807868
                3s
                   +0 :              -0.00045498307120
                2p
                   -1 :              -0.00433029925094
                   +0 :               0.00109255380227
                   +1 :               0.00274665350507
                3p
                   -1 :               0.00332503261156
                   +0 :              -0.00039974303987
                   +1 :              -0.00294602431463
                3d
                   -2 :               0.00000090238537
                   -1 :              -0.00005765797256
                   +0 :               0.00000199735132
                   +1 :              -0.00010553972500
                   +2 :               0.00041729891528
              3 vec=    -7.570358     -1.376162      4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00020416672899
                2s
                   +0 :              -0.00098241560952
                3s
                   +0 :               0.00034958790100
                2p
                   -1 :               0.00194025244882
                   +0 :              -0.00386306804657
                   +1 :               0.00136516556849
                3p
                   -1 :              -0.00015054410688
                   +0 :               0.00000171395751
                   +1 :              -0.00091109326354
                3d
                   -2 :               0.00004871631133
                   -1 :               0.00003301085469
                   +0 :              -0.00015666415870
                   +1 :               0.00003247987062
                   +2 :               0.00000676546137
              4 vec=     7.989968     -1.376162      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00031840754804
                2s
                   +0 :               0.00149835723714
                3s
                   +0 :              -0.00057176582543
                2p
                   -1 :              -0.00175303684038
                   +0 :               0.00242561117333
                   +1 :              -0.00026207656244
                3p
                   -1 :               0.00102559536043
                   +0 :               0.00014155110157
                   +1 :               0.00078349156858
                3d
                   -2 :              -0.00002792887135
                   -1 :              -0.00009714415057
                   +0 :               0.00008306060679
                   +1 :               0.00016160946977
                   +2 :               0.00011111259361
              5 vec=    -7.570358      7.607596      4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00006333633020
                2s
                   +0 :               0.00004980758635
                3s
                   +0 :              -0.00032883675002
                2p
                   -1 :              -0.00009803886151
                   +0 :               0.00033157539324
                   +1 :               0.00032786079255
                3p
                   -1 :              -0.00017013448649
                   +0 :              -0.00049392899616
                   +1 :              -0.00008184213666
                3d
                   -2 :               0.00005529183354
                   -1 :               0.00001056370489
                   +0 :              -0.00000408579275
                   +1 :              -0.00000322809034
                   +2 :               0.00001847110460
              6 vec=     7.989968      7.607596      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00007162366139
                2s
                   +0 :               0.00047683714547
                3s
                   +0 :              -0.00010101129315
                2p
                   -1 :               0.00054317396334
                   +0 :               0.00058112410171
                   +1 :               0.00043682738468
                3p
                   -1 :              -0.00029066046925
                   +0 :              -0.00046612468567
                   +1 :              -0.00033930056780
                3d
                   -2 :               0.00003294395491
                   -1 :              -0.00001513343326
                   +0 :              -0.00006188019576
                   +1 :               0.00000192108627
                   +2 :              -0.00000076159699
              7 vec=     0.209805     12.099475      4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00003638221000
                2s
                   +0 :               0.00013025984516
                3s
                   +0 :              -0.00015465652093
                2p
                   -1 :               0.00009517620789
                   +0 :              -0.00009855274873
                   +1 :               0.00030687964093
                3p
                   -1 :              -0.00010136559725
                   +0 :               0.00002476549184
                   +1 :              -0.00024648294617
                3d
                   -2 :              -0.00000803466666
                   -1 :              -0.00001548311842
                   +0 :               0.00001435428320
                   +1 :               0.00003549752834
                   +2 :              -0.00001154196563
              8 vec=    -7.570358    -10.359920      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00002717245427
                2s
                   +0 :              -0.00010464050476
                3s
                   +0 :              -0.00015012322656
                2p
                   -1 :              -0.00018605422299
                   +0 :              -0.00027748011482
                   +1 :              -0.00008220014861
                3p
                   -1 :               0.00028973956364
                   +0 :               0.00006201355079
                   +1 :               0.00014006148321
                3d
                   -2 :              -0.00001250157481
                   -1 :              -0.00002151881474
                   +0 :              -0.00001706066925
                   +1 :               0.00001079407895
                   +2 :               0.00002413762353
              9 vec=     7.989968    -10.359920      4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00003503398950
                2s
                   +0 :               0.00054718847867
                3s
                   +0 :              -0.00010055012856
                2p
                   -1 :              -0.00067472041973
                   +0 :               0.00003797244001
                   +1 :               0.00024324672392
                3p
                   -1 :               0.00040491236996
                   +0 :               0.00006215859644
                   +1 :              -0.00009491173608
                3d
                   -2 :               0.00001133488284
                   -1 :               0.00000085241616
                   +0 :               0.00001422946486
                   +1 :              -0.00000961523685
                   +2 :               0.00003111205190
             10 vec=     0.209805    -14.851799      4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00000303733528
                2s
                   +0 :              -0.00002061961825
                3s
                   +0 :               0.00002362148967
                2p
                   -1 :               0.00012076913819
                   +0 :              -0.00003233838778
                   +1 :              -0.00007591429405
                3p
                   -1 :              -0.00008222405167
                   +0 :               0.00001719498646
                   +1 :               0.00000325648568
                3d
                   -2 :              -0.00000386249404
                   -1 :              -0.00000546908489
                   +0 :               0.00000132050281
                   +1 :               0.00000023709791
                   +2 :              -0.00000024889106
             11 vec=   -15.350520      3.115717      4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00002757984538
                2s
                   +0 :              -0.00025265995762
                3s
                   +0 :               0.00003902929781
                2p
                   -1 :              -0.00003369498956
                   +0 :               0.00013278884319
                   +1 :               0.00013385029832
                3p
                   -1 :              -0.00004377613725
                   +0 :              -0.00013578708379
                   +1 :               0.00002859364000
                3d
                   -2 :              -0.00000932731120
                   -1 :              -0.00000429320490
                   +0 :               0.00000167443871
                   +1 :               0.00001779934316
                   +2 :              -0.00001007715165
             12 vec=    15.770130      3.115717      4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00000340136104
                2s
                   +0 :               0.00007032071626
                3s
                   +0 :              -0.00003702287329
                2p
                   -1 :               0.00000363724265
                   +0 :              -0.00009110780218
                   +1 :              -0.00000059741927
                3p
                   -1 :               0.00000523209049
                   +0 :               0.00010387120725
                   +1 :               0.00007806727138
                3d
                   -2 :              -0.00000465111136
                   -1 :              -0.00000504867754
                   +0 :               0.00000155530964
                   +1 :              -0.00000977862737
                   +2 :               0.00001589627782
             13 vec=   -15.350520     -5.868041      4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00002669223441
                2s
                   +0 :              -0.00020576939998
                3s
                   +0 :               0.00006350975421
                2p
                   -1 :               0.00015795906404
                   +0 :               0.00008394100786
                   +1 :               0.00008812315846
                3p
                   -1 :              -0.00008144214625
                   +0 :              -0.00006204853696
                   +1 :              -0.00001334047650
                3d
                   -2 :              -0.00000117727238
                   -1 :               0.00000006980289
                   +0 :              -0.00000037632424
                   +1 :               0.00000135368525
                   +2 :              -0.00000516278309
             14 vec=    15.770130     -5.868041      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000621952081
                2s
                   +0 :               0.00006671815807
                3s
                   +0 :              -0.00002111869804
                2p
                   -1 :              -0.00016175172224
                   +0 :               0.00010867073525
                   +1 :               0.00007833604116
                3p
                   -1 :               0.00010810506414
                   +0 :              -0.00008231934635
                   +1 :              -0.00002811324087
                3d
                   -2 :               0.00000096546905
                   -1 :               0.00000398420988
                   +0 :              -0.00000165671712
                   +1 :               0.00000145358214
                   +2 :               0.00000058133759
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 25)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00152950389692
                2s
                   +0 :              -0.00143699098795
                3s
                   +0 :              -0.00653990081846
                2p
                   -1 :               0.00857130761966
                   +0 :               0.01431853999966
                   +1 :               0.86879565068755
                3p
                   -1 :              -0.00373619794519
                   +0 :              -0.00525152231347
                   +1 :              -0.03869603682827
                3d
                   -2 :               0.00372416504841
                   -1 :              -0.00087604234776
                   +0 :              -0.00134807223353
                   +1 :              -0.00241861247504
                   +2 :              -0.00073710650926
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00009423091260
                2s
                   +0 :              -0.00067388784437
                3s
                   +0 :              -0.00020792568790
                2p
                   -1 :               0.00124382181123
                   +0 :               0.00139067504034
                   +1 :               0.00061319551174
                3p
                   -1 :               0.00113758231083
                   +0 :              -0.00122060014913
                   +1 :               0.00011690231239
                3d
                   -2 :              -0.00010847720436
                   -1 :              -0.00003151278306
                   +0 :               0.00014858877986
                   +1 :               0.00000931902909
                   +2 :               0.00030769312492
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00013472564585
                2s
                   +0 :              -0.00108382100236
                3s
                   +0 :              -0.00010002155084
                2p
                   -1 :              -0.00385582366915
                   +0 :              -0.00021626592294
                   +1 :               0.00202794160818
                3p
                   -1 :               0.00121297636773
                   +0 :               0.00019685388453
                   +1 :              -0.00098750657205
                3d
                   -2 :              -0.00007992231265
                   -1 :              -0.00002112080087
                   +0 :              -0.00004306552828
                   +1 :              -0.00004096433787
                   +2 :               0.00012854381819
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00029639669221
                2s
                   +0 :              -0.00212835742263
                3s
                   +0 :               0.00111601543791
                2p
                   -1 :               0.00236450873984
                   +0 :               0.00011071330797
                   +1 :              -0.00320653128295
                3p
                   -1 :              -0.00176741610401
                   +0 :              -0.00001744274810
                   +1 :               0.00116811171140
                3d
                   -2 :              -0.00002227664643
                   -1 :               0.00006947487444
                   +0 :               0.00000196603208
                   +1 :              -0.00002169737048
                   +2 :              -0.00004722140121
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00026143758885
                2s
                   +0 :               0.00120764896519
                3s
                   +0 :              -0.00109075720449
                2p
                   -1 :               0.00006782411190
                   +0 :              -0.00041449298998
                   +1 :              -0.00271458643195
                3p
                   -1 :              -0.00131965987112
                   +0 :               0.00029036048349
                   +1 :               0.00037406561164
                3d
                   -2 :              -0.00023868284802
                   -1 :              -0.00000624890298
                   +0 :               0.00007174220014
                   +1 :              -0.00006136235337
                   +2 :               0.00011618898450
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00049310229919
                2s
                   +0 :               0.00183186962313
                3s
                   +0 :              -0.00028014891278
                2p
                   -1 :              -0.00169271167829
                   +0 :               0.00002164097292
                   +1 :               0.00066690854008
                3p
                   -1 :              -0.00056165254906
                   +0 :               0.00002606388629
                   +1 :               0.00001143314414
                3d
                   -2 :               0.00001482458309
                   -1 :               0.00021903242535
                   +0 :              -0.00010163061421
                   +1 :               0.00000966712720
                   +2 :              -0.00028220686163
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00005193573172
                2s
                   +0 :              -0.00077490079246
                3s
                   +0 :               0.00064050494493
                2p
                   -1 :              -0.00116827314971
                   +0 :              -0.00016334203377
                   +1 :              -0.00080903321008
                3p
                   -1 :               0.00120141877052
                   +0 :               0.00008810428745
                   +1 :               0.00152995448246
                3d
                   -2 :               0.00013819991297
                   -1 :              -0.00011281990142
                   +0 :               0.00012652136835
                   +1 :               0.00008916776007
                   +2 :               0.00021261546068
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00013105309431
                2s
                   +0 :              -0.00143470446603
                3s
                   +0 :               0.00024968856186
                2p
                   -1 :              -0.00004907652777
                   +0 :              -0.00013842087964
                   +1 :               0.00130114662983
                3p
                   -1 :               0.00000255438692
                   +0 :               0.00014404973297
                   +1 :              -0.00018727544309
                3d
                   -2 :               0.00001530954295
                   -1 :              -0.00002543952453
                   +0 :               0.00003651559252
                   +1 :              -0.00001035999673
                   +2 :              -0.00005661293612
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001996670497
                2s
                   +0 :              -0.00036168341276
                3s
                   +0 :              -0.00000521935687
                2p
                   -1 :               0.00029272005735
                   +0 :               0.00009915508796
                   +1 :               0.00007748337717
                3p
                   -1 :               0.00002200107506
                   +0 :              -0.00006852878973
                   +1 :               0.00007557075203
                3d
                   -2 :              -0.00001868752793
                   -1 :               0.00000585917696
                   +0 :               0.00001627790296
                   +1 :              -0.00000669474560
                   +2 :               0.00000143197833
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00009439255925
                2s
                   +0 :              -0.00090692070464
                3s
                   +0 :               0.00021823991280
                2p
                   -1 :              -0.00081545906461
                   +0 :               0.00021636671153
                   +1 :               0.00037235697684
                3p
                   -1 :               0.00025484766057
                   +0 :              -0.00020219183812
                   +1 :              -0.00007868520041
                3d
                   -2 :               0.00002219940429
                   -1 :              -0.00000702309716
                   +0 :               0.00001144662554
                   +1 :              -0.00000911380758
                   +2 :              -0.00000104240529
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001794531247
                2s
                   +0 :               0.00043954618622
                3s
                   +0 :              -0.00001519308372
                2p
                   -1 :              -0.00045077968666
                   +0 :               0.00005462893548
                   +1 :               0.00031726646827
                3p
                   -1 :               0.00003345486952
                   +0 :              -0.00006036329876
                   +1 :              -0.00008096737469
                3d
                   -2 :              -0.00001814741284
                   -1 :               0.00001861233346
                   +0 :              -0.00001237846252
                   +1 :              -0.00000069338833
                   +2 :              -0.00001445628113
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004668493767
                2s
                   +0 :               0.00065501586048
                3s
                   +0 :              -0.00007027077802
                2p
                   -1 :               0.00095527686626
                   +0 :               0.00011654475869
                   +1 :               0.00011805287564
                3p
                   -1 :              -0.00026316471486
                   +0 :              -0.00007848275704
                   +1 :               0.00005036781386
                3d
                   -2 :               0.00002966134681
                   -1 :              -0.00000803102997
                   +0 :               0.00000149066766
                   +1 :               0.00000383049470
                   +2 :              -0.00000925102198
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001732161728
                2s
                   +0 :               0.00075767979486
                3s
                   +0 :               0.00002878330492
                2p
                   -1 :              -0.00020099664844
                   +0 :              -0.00036031199796
                   +1 :               0.00127685282222
                3p
                   -1 :               0.00013329680934
                   +0 :               0.00035962781831
                   +1 :              -0.00034575969166
                3d
                   -2 :               0.00003198143921
                   -1 :               0.00002075055651
                   +0 :               0.00000372097374
                   +1 :               0.00005082743508
                   +2 :               0.00001958455297
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001894203152
                2s
                   +0 :              -0.00021191636976
                3s
                   +0 :               0.00004861266833
                2p
                   -1 :               0.00008468724132
                   +0 :              -0.00000611515544
                   +1 :               0.00014532575916
                3p
                   -1 :              -0.00000523317822
                   +0 :               0.00000930303214
                   +1 :              -0.00002776996113
                3d
                   -2 :               0.00000117018206
                   -1 :              -0.00000487419506
                   +0 :               0.00000123321174
                   +1 :              -0.00000013964005
                   +2 :               0.00000255036039
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000910240038
                2s
                   +0 :              -0.00010823693382
                3s
                   +0 :               0.00000692142243
                2p
                   -1 :              -0.00005584016215
                   +0 :              -0.00001267992993
                   +1 :               0.00010926124756
                3p
                   -1 :               0.00002073004508
                   +0 :               0.00001244424591
                   +1 :              -0.00001343594344
                3d
                   -2 :              -0.00000195618723
                   -1 :              -0.00000010895151
                   +0 :               0.00000060365049
                   +1 :              -0.00000110609061
                   +2 :              -0.00000282133910
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000905228777
                2s
                   +0 :               0.00006166715162
                3s
                   +0 :              -0.00003462226562
                2p
                   -1 :              -0.00007512691427
                   +0 :               0.00001897145874
                   +1 :              -0.00004367359446
                3p
                   -1 :               0.00005584434065
                   +0 :              -0.00001519345229
                   +1 :               0.00000331234657
                3d
                   -2 :               0.00000446871178
                   -1 :               0.00000021711389
                   +0 :               0.00000000383673
                   +1 :               0.00000172725236
                   +2 :               0.00000402945993
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000638247002
                2s
                   +0 :               0.00003541363022
                3s
                   +0 :              -0.00001437253073
                2p
                   -1 :               0.00005519246441
                   +0 :              -0.00004556507609
                   +1 :              -0.00007990115052
                3p
                   -1 :              -0.00004378018273
                   +0 :               0.00004268225560
                   +1 :               0.00003144222828
                3d
                   -2 :              -0.00000160689838
                   -1 :               0.00000189384418
                   +0 :              -0.00000241673768
                   +1 :              -0.00000198918801
                   +2 :              -0.00000084416860
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001637662380
                2s
                   +0 :               0.00014230593998
                3s
                   +0 :              -0.00002128819811
                2p
                   -1 :              -0.00002219229131
                   +0 :              -0.00002975375515
                   +1 :               0.00007517296878
                3p
                   -1 :              -0.00000935136301
                   +0 :               0.00001871703089
                   +1 :               0.00001003640728
                3d
                   -2 :               0.00000353890116
                   -1 :               0.00000048542247
                   +0 :               0.00000014808454
                   +1 :               0.00000367996906
                   +2 :              -0.00000003323874
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001496172737
                2s
                   +0 :               0.00017270791464
                3s
                   +0 :              -0.00003248345994
                2p
                   -1 :               0.00010137166658
                   +0 :               0.00001771137476
                   +1 :               0.00013396354428
                3p
                   -1 :              -0.00001183994048
                   +0 :              -0.00001017485021
                   +1 :              -0.00002340774933
                3d
                   -2 :              -0.00000190462465
                   -1 :               0.00000268665672
                   +0 :              -0.00000503706568
                   +1 :              -0.00000450034584
                   +2 :              -0.00000403566827
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 26)  npairs=  12
              1 vec=    -4.767165     -0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00500184189994
                2s
                   +0 :              -0.11463679014508
                3s
                   +0 :               0.01175923043443
                2p
                   -1 :               0.00747588837816
                   +0 :               0.00416146440129
                   +1 :               0.07091853772619
                3p
                   -1 :              -0.00395258917104
                   +0 :              -0.00380507746915
                   +1 :              -0.01002373795906
                3d
                   -2 :               0.00124153347887
                   -1 :               0.00108908074956
                   +0 :               0.00236409950006
                   +1 :               0.00014400370766
                   +2 :              -0.00358635643729
              2 vec=     3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00154482722502
                2s
                   +0 :               0.03045206951281
                3s
                   +0 :              -0.00283726581986
                2p
                   -1 :              -0.02103823594338
                   +0 :               0.00201095452065
                   +1 :               0.00969729450632
                3p
                   -1 :               0.00221045010015
                   +0 :              -0.00163694917601
                   +1 :              -0.00050250274980
                3d
                   -2 :              -0.00084783799792
                   -1 :              -0.00031127792769
                   +0 :              -0.00077422608918
                   +1 :               0.00030173112843
                   +2 :              -0.00116924468754
              3 vec=     3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00018734675794
                2s
                   +0 :               0.02669257228454
                3s
                   +0 :               0.00467425594984
                2p
                   -1 :               0.02142001450404
                   +0 :               0.00374223779050
                   +1 :               0.00779312553746
                3p
                   -1 :               0.00431900740946
                   +0 :              -0.00386642373568
                   +1 :               0.00242919503940
                3d
                   -2 :               0.00191520455194
                   -1 :              -0.00065351807132
                   +0 :              -0.00128991283936
                   +1 :               0.00052774568241
                   +2 :              -0.00144463020187
              4 vec=    -4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00025505620484
                2s
                   +0 :              -0.00266956222571
                3s
                   +0 :               0.00051020660898
                2p
                   -1 :               0.00253949103276
                   +0 :              -0.00037473739310
                   +1 :               0.00170579283167
                3p
                   -1 :              -0.00050421641330
                   +0 :               0.00018182406118
                   +1 :              -0.00074084740122
                3d
                   -2 :              -0.00001699324313
                   -1 :               0.00005775509682
                   +0 :              -0.00004857606918
                   +1 :              -0.00002203168388
                   +2 :               0.00006918582062
              5 vec=    -4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00028030448774
                2s
                   +0 :              -0.00294554852373
                3s
                   +0 :               0.00017553411258
                2p
                   -1 :              -0.00384526800760
                   +0 :              -0.00009089974889
                   +1 :               0.00127397893882
                3p
                   -1 :              -0.00019973993845
                   +0 :               0.00025722049913
                   +1 :              -0.00004905083293
                3d
                   -2 :               0.00025221087307
                   -1 :               0.00009007600202
                   +0 :               0.00018745917929
                   +1 :               0.00000036295230
                   +2 :               0.00015128636597
              6 vec=    10.793160      0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00102789267687
                2s
                   +0 :               0.00841100830825
                3s
                   +0 :              -0.00258310836521
                2p
                   -1 :              -0.00001999872660
                   +0 :              -0.00168628361097
                   +1 :               0.00785929961682
                3p
                   -1 :               0.00022904608316
                   +0 :               0.00162871857310
                   +1 :              -0.00267096739434
                3d
                   -2 :               0.00005827404715
                   -1 :              -0.00005324465225
                   +0 :              -0.00006896603114
                   +1 :               0.00008806312713
                   +2 :               0.00007378909228
              7 vec=   -12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00007813718665
                2s
                   +0 :              -0.00107266486954
                3s
                   +0 :               0.00002091289223
                2p
                   -1 :               0.00040445059661
                   +0 :               0.00009513525610
                   +1 :              -0.00028003640506
                3p
                   -1 :               0.00012168869692
                   +0 :              -0.00008950050265
                   +1 :               0.00034382890570
                3d
                   -2 :              -0.00000677968927
                   -1 :               0.00001773450735
                   +0 :               0.00002900556178
                   +1 :               0.00000127953946
                   +2 :               0.00003623658168
              8 vec=   -12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00002197104860
                2s
                   +0 :              -0.00063736285407
                3s
                   +0 :              -0.00002741327891
                2p
                   -1 :              -0.00033091363793
                   +0 :              -0.00010065052337
                   +1 :              -0.00019883119131
                3p
                   -1 :               0.00011646580287
                   +0 :               0.00011264144330
                   +1 :               0.00029551978214
                3d
                   -2 :              -0.00003086297366
                   -1 :               0.00000939793242
                   +0 :               0.00003449805429
                   +1 :               0.00000451505292
                   +2 :              -0.00000917573525
              9 vec=     3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00002168174645
                2s
                   +0 :               0.00020194712640
                3s
                   +0 :              -0.00008459962457
                2p
                   -1 :              -0.00017128712931
                   +0 :              -0.00014673813420
                   +1 :              -0.00018622646586
                3p
                   -1 :               0.00014554402569
                   +0 :               0.00012130749375
                   +1 :              -0.00015684977225
                3d
                   -2 :               0.00005263092890
                   -1 :              -0.00000677726627
                   +0 :               0.00001128815442
                   +1 :              -0.00001167507900
                   +2 :               0.00001374500683
             10 vec=     3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00005692029649
                2s
                   +0 :              -0.00040527657173
                3s
                   +0 :               0.00016495629938
                2p
                   -1 :              -0.00033578686458
                   +0 :              -0.00010668487140
                   +1 :              -0.00057547762594
                3p
                   -1 :               0.00019620803181
                   +0 :               0.00009340754643
                   +1 :               0.00012243462239
                3d
                   -2 :              -0.00004074390539
                   -1 :              -0.00000185247422
                   +0 :              -0.00003014394420
                   +1 :              -0.00000245762691
                   +2 :              -0.00000040298547
             11 vec=    10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00004651339376
                2s
                   +0 :               0.00070013635986
                3s
                   +0 :              -0.00010960397176
                2p
                   -1 :              -0.00028000155101
                   +0 :               0.00010489818089
                   +1 :               0.00026312763264
                3p
                   -1 :              -0.00002318289723
                   +0 :              -0.00008772663867
                   +1 :               0.00002264927493
                3d
                   -2 :              -0.00000589115554
                   -1 :              -0.00000907144989
                   +0 :              -0.00000176673234
                   +1 :              -0.00000066526100
                   +2 :              -0.00001419233185
             12 vec=    10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00009639546884
                2s
                   +0 :               0.00092569749389
                3s
                   +0 :              -0.00025483889927
                2p
                   -1 :               0.00006724256504
                   +0 :               0.00011869734547
                   +1 :               0.00079079587577
                3p
                   -1 :              -0.00004537636146
                   +0 :              -0.00007825616694
                   +1 :              -0.00042332762717
                3d
                   -2 :              -0.00003126033929
                   -1 :               0.00000527213133
                   +0 :               0.00003171582660
                   +1 :              -0.00000323623023
                   +2 :              -0.00000783252687
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 27)  npairs=  12
              1 vec=    -2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00165613556422
                2s
                   +0 :              -0.05502310270701
                3s
                   +0 :               0.00428805736722
                2p
                   -1 :              -0.04192592365701
                   +0 :              -0.00368806383264
                   +1 :               0.00834201641924
                3p
                   -1 :               0.00777147076457
                   +0 :               0.00184091198784
                   +1 :              -0.00200099624732
                3d
                   -2 :               0.00126650067488
                   -1 :               0.00036090814925
                   +0 :               0.00057251413391
                   +1 :               0.00050009867556
                   +2 :               0.00126011711052
              2 vec=    -2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00212964372575
                2s
                   +0 :              -0.02806612916323
                3s
                   +0 :               0.00546696650412
                2p
                   -1 :               0.01760218567632
                   +0 :              -0.00079300686809
                   +1 :               0.00232121381166
                3p
                   -1 :              -0.00310403035211
                   +0 :               0.00051455795457
                   +1 :               0.00093178401760
                3d
                   -2 :              -0.00044965519859
                   -1 :               0.00005147271613
                   +0 :               0.00038139548485
                   +1 :               0.00042567102090
                   +2 :               0.00070372359948
              3 vec=     5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00067660865739
                2s
                   +0 :               0.04693788506196
                3s
                   +0 :               0.00291513680793
                2p
                   -1 :              -0.00277069704381
                   +0 :               0.00434287129515
                   +1 :               0.03433630791476
                3p
                   -1 :              -0.00344185767965
                   +0 :              -0.00473957889004
                   +1 :               0.00636974767672
                3d
                   -2 :              -0.00035744539418
                   -1 :              -0.00003448731122
                   +0 :              -0.00193834362953
                   +1 :              -0.00095855604702
                   +2 :               0.00347676106953
              4 vec=   -10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00047701247717
                2s
                   +0 :              -0.00571095913850
                3s
                   +0 :               0.00027569669639
                2p
                   -1 :               0.00150486030124
                   +0 :              -0.00060727943438
                   +1 :               0.00807627696595
                3p
                   -1 :              -0.00018348377543
                   +0 :               0.00009995715245
                   +1 :              -0.00057646509376
                3d
                   -2 :              -0.00001957596663
                   -1 :               0.00001935539632
                   +0 :               0.00018675914009
                   +1 :               0.00011466010293
                   +2 :              -0.00043265556103
              5 vec=     5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00074831805587
                2s
                   +0 :               0.00607649405237
                3s
                   +0 :              -0.00163848964715
                2p
                   -1 :               0.00585980315464
                   +0 :               0.00025853191748
                   +1 :               0.00068248961293
                3p
                   -1 :              -0.00136301421867
                   +0 :              -0.00023406113934
                   +1 :               0.00112672727306
                3d
                   -2 :               0.00034877968581
                   -1 :              -0.00008124638441
                   +0 :              -0.00038355223148
                   +1 :              -0.00012050100963
                   +2 :              -0.00005756654857
              6 vec=     5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00032258989002
                2s
                   +0 :               0.00325777951126
                3s
                   +0 :              -0.00064274804215
                2p
                   -1 :              -0.00341680099953
                   +0 :               0.00036866607519
                   +1 :               0.00082916699970
                3p
                   -1 :               0.00086560700389
                   +0 :              -0.00034101331891
                   +1 :              -0.00008221510184
                3d
                   -2 :              -0.00006938572536
                   -1 :              -0.00001856497621
                   +0 :              -0.00006850513984
                   +1 :              -0.00008029325544
                   +2 :              -0.00009328655321
              7 vec=   -10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00000557340489
                2s
                   +0 :              -0.00072679731791
                3s
                   +0 :              -0.00011264754413
                2p
                   -1 :               0.00001214173763
                   +0 :              -0.00010478649299
                   +1 :               0.00023237685684
                3p
                   -1 :              -0.00036134765334
                   +0 :               0.00010338518663
                   +1 :               0.00010846276174
                3d
                   -2 :               0.00003844301780
                   -1 :               0.00000634494491
                   +0 :               0.00001457615274
                   +1 :              -0.00000963448977
                   +2 :               0.00003128385089
              8 vec=    -2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00007873118805
                2s
                   +0 :              -0.00061732042486
                3s
                   +0 :               0.00011300790605
                2p
                   -1 :               0.00008480591863
                   +0 :              -0.00020274173623
                   +1 :              -0.00038255812862
                3p
                   -1 :              -0.00016095857120
                   +0 :               0.00019758918463
                   +1 :               0.00010794617364
                3d
                   -2 :              -0.00001681845259
                   -1 :               0.00001538583570
                   +0 :               0.00002204584320
                   +1 :               0.00001762153062
                   +2 :              -0.00001474382267
              9 vec=   -10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00005795284658
                2s
                   +0 :              -0.00078112681179
                3s
                   +0 :               0.00007446584487
                2p
                   -1 :               0.00084443836792
                   +0 :               0.00001357184700
                   +1 :               0.00024102304767
                3p
                   -1 :              -0.00033964085765
                   +0 :              -0.00003136009158
                   +1 :               0.00008533519610
                3d
                   -2 :              -0.00000263915071
                   -1 :              -0.00000464306229
                   +0 :               0.00001075691046
                   +1 :               0.00001238033698
                   +2 :              -0.00002120170332
             10 vec=    13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00005828675491
                2s
                   +0 :               0.00085150620364
                3s
                   +0 :              -0.00016843116734
                2p
                   -1 :               0.00071217719504
                   +0 :               0.00010087552969
                   +1 :               0.00032150372470
                3p
                   -1 :              -0.00022861679260
                   +0 :              -0.00006752759125
                   +1 :              -0.00010282973180
                3d
                   -2 :               0.00001114713094
                   -1 :              -0.00003406252208
                   +0 :              -0.00000768313851
                   +1 :               0.00000083846911
                   +2 :              -0.00001478924323
             11 vec=    -2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00000120384013
                2s
                   +0 :              -0.00007915370230
                3s
                   +0 :              -0.00003158590273
                2p
                   -1 :               0.00009281146437
                   +0 :               0.00012818754538
                   +1 :              -0.00011602302920
                3p
                   -1 :              -0.00004837727970
                   +0 :              -0.00012387644449
                   +1 :              -0.00004375949164
                3d
                   -2 :               0.00000445725384
                   -1 :               0.00000364014291
                   +0 :               0.00000825240151
                   +1 :               0.00001013397959
                   +2 :              -0.00000542675556
             12 vec=    13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00000328339984
                2s
                   +0 :               0.00033057953187
                3s
                   +0 :              -0.00001024753130
                2p
                   -1 :               0.00002565575928
                   +0 :              -0.00018582198841
                   +1 :               0.00007643117288
                3p
                   -1 :              -0.00011685796630
                   +0 :               0.00015441602654
                   +1 :               0.00002938941211
                3d
                   -2 :               0.00001399296386
                   -1 :              -0.00000663168805
                   +0 :              -0.00000583539795
                   +1 :              -0.00000111529916
                   +2 :              -0.00001317369322
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 28)  npairs=  18
              1 vec=     3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00006036418531
                2s
                   +0 :               0.00055924167269
                3s
                   +0 :              -0.00019183402851
                2p
                   -1 :               0.00042027614830
                   +0 :              -0.00023508651865
                   +1 :              -0.00004375434734
                3p
                   -1 :              -0.00030639847071
                   +0 :               0.00015059798128
                   +1 :               0.00005076077783
                3d
                   -2 :              -0.00001957007675
                   -1 :              -0.00000453452693
                   +0 :              -0.00004964091836
                   +1 :              -0.00001192758060
                   +2 :              -0.00000023585586
              2 vec=     3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00001281878209
                2s
                   +0 :              -0.00002691013780
                3s
                   +0 :               0.00006123887140
                2p
                   -1 :              -0.00009381660168
                   +0 :              -0.00042095807180
                   +1 :              -0.00014582714753
                3p
                   -1 :               0.00009493714273
                   +0 :               0.00045205717454
                   +1 :               0.00005629162319
                3d
                   -2 :              -0.00000601319048
                   -1 :              -0.00000661702411
                   +0 :               0.00001063154869
                   +1 :              -0.00001356902073
                   +2 :               0.00002169657113
              3 vec=    -4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00004120397925
                2s
                   +0 :              -0.00040190379051
                3s
                   +0 :               0.00006629989388
                2p
                   -1 :              -0.00042516121674
                   +0 :               0.00032396264996
                   +1 :              -0.00043073955633
                3p
                   -1 :               0.00012134186558
                   +0 :              -0.00007458545940
                   +1 :               0.00025284386467
                3d
                   -2 :              -0.00000368782413
                   -1 :               0.00000606681428
                   +0 :              -0.00000140202281
                   +1 :              -0.00001204429207
                   +2 :               0.00001667368013
              4 vec=    -4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00007735378986
                2s
                   +0 :              -0.00053736543858
                3s
                   +0 :               0.00016484885959
                2p
                   -1 :               0.00004571003940
                   +0 :              -0.00044954835308
                   +1 :              -0.00001092546375
                3p
                   -1 :              -0.00020232319869
                   +0 :               0.00023973474106
                   +1 :               0.00000518859186
                3d
                   -2 :              -0.00001077837950
                   -1 :              -0.00004917696020
                   +0 :               0.00000349512334
                   +1 :              -0.00001362099992
                   +2 :               0.00001069838658
              5 vec=    -4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003056486082
                2s
                   +0 :              -0.00036958521279
                3s
                   +0 :               0.00006769949528
                2p
                   -1 :               0.00012203444237
                   +0 :               0.00035859747564
                   +1 :              -0.00000227825770
                3p
                   -1 :              -0.00007258410694
                   +0 :              -0.00006458608380
                   +1 :               0.00009990068043
                3d
                   -2 :              -0.00000115483084
                   -1 :               0.00000421188065
                   +0 :              -0.00000634015866
                   +1 :              -0.00001556161463
                   +2 :              -0.00001275447372
              6 vec=    -4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00000190095501
                2s
                   +0 :              -0.00025259990335
                3s
                   +0 :              -0.00001227780559
                2p
                   -1 :               0.00001757274500
                   +0 :              -0.00037659385644
                   +1 :               0.00014890327905
                3p
                   -1 :               0.00003821572358
                   +0 :               0.00003934584458
                   +1 :               0.00000457967420
                3d
                   -2 :              -0.00001559826847
                   -1 :               0.00000591506087
                   +0 :              -0.00001135905729
                   +1 :               0.00001568192665
                   +2 :              -0.00000186035396
              7 vec=     3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001635920056
                2s
                   +0 :              -0.00007194281490
                3s
                   +0 :               0.00004165322669
                2p
                   -1 :              -0.00015767427630
                   +0 :               0.00031243312768
                   +1 :              -0.00026385856442
                3p
                   -1 :               0.00016688669913
                   +0 :              -0.00020159525796
                   +1 :               0.00018684393875
                3d
                   -2 :              -0.00000555152480
                   -1 :              -0.00001041385597
                   +0 :               0.00001456463197
                   +1 :              -0.00000491255086
                   +2 :              -0.00001755707625
              8 vec=     3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001604400560
                2s
                   +0 :              -0.00008267469413
                3s
                   +0 :               0.00005442569551
                2p
                   -1 :               0.00013020754286
                   +0 :              -0.00023368920021
                   +1 :              -0.00007093609568
                3p
                   -1 :              -0.00008084233860
                   +0 :               0.00013196515664
                   +1 :               0.00000299576072
                3d
                   -2 :               0.00000074191737
                   -1 :               0.00001236350880
                   +0 :              -0.00000105659258
                   +1 :              -0.00001451082176
                   +2 :              -0.00000313574717
              9 vec=     3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000477292850
                2s
                   +0 :               0.00002769819063
                3s
                   +0 :              -0.00001344362137
                2p
                   -1 :              -0.00004022899615
                   +0 :              -0.00007075914502
                   +1 :              -0.00004705436088
                3p
                   -1 :               0.00002812194748
                   +0 :               0.00002029446108
                   +1 :               0.00001075719594
                3d
                   -2 :              -0.00000271876973
                   -1 :               0.00000466264300
                   +0 :              -0.00000273354257
                   +1 :               0.00000420736145
                   +2 :               0.00000088482738
             10 vec=     3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001052224913
                2s
                   +0 :               0.00008689553204
                3s
                   +0 :              -0.00001968400774
                2p
                   -1 :              -0.00011307704143
                   +0 :              -0.00002864601597
                   +1 :               0.00006288483189
                3p
                   -1 :               0.00007216052158
                   +0 :               0.00007602988380
                   +1 :              -0.00007912350465
                3d
                   -2 :               0.00001067361166
                   -1 :              -0.00000213440048
                   +0 :               0.00001867499093
                   +1 :              -0.00000395002589
                   +2 :               0.00000489275959
             11 vec=    10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001184106296
                2s
                   +0 :              -0.00002206944013
                3s
                   +0 :               0.00008307804229
                2p
                   -1 :              -0.00013699267623
                   +0 :               0.00018652805275
                   +1 :              -0.00006895141844
                3p
                   -1 :               0.00014083660137
                   +0 :              -0.00029197953128
                   +1 :               0.00011240715088
                3d
                   -2 :              -0.00000134278612
                   -1 :              -0.00000942868168
                   +0 :               0.00001964042495
                   +1 :              -0.00000993396606
                   +2 :              -0.00000641405368
             12 vec=    10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000270857759
                2s
                   +0 :               0.00001725276944
                3s
                   +0 :               0.00001843358677
                2p
                   -1 :               0.00011689078450
                   +0 :              -0.00002653500540
                   +1 :              -0.00007787130127
                3p
                   -1 :              -0.00007638115519
                   +0 :               0.00008079048677
                   +1 :               0.00009414263028
                3d
                   -2 :              -0.00000768374609
                   -1 :              -0.00000168956898
                   +0 :              -0.00000020704317
                   +1 :               0.00000036709098
                   +2 :               0.00000499644593
             13 vec=    10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001414036565
                2s
                   +0 :               0.00014619389028
                3s
                   +0 :              -0.00002111543459
                2p
                   -1 :              -0.00002585427838
                   +0 :              -0.00006343250206
                   +1 :               0.00008880691975
                3p
                   -1 :              -0.00001096666543
                   +0 :               0.00000009189436
                   +1 :              -0.00001314834209
                3d
                   -2 :              -0.00000551171161
                   -1 :              -0.00000100595765
                   +0 :               0.00000175824878
                   +1 :              -0.00000387865893
                   +2 :              -0.00000153965909
             14 vec=    10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000998153194
                2s
                   +0 :               0.00010026345424
                3s
                   +0 :              -0.00002157906414
                2p
                   -1 :              -0.00009306998121
                   +0 :               0.00006647015648
                   +1 :               0.00008172171831
                3p
                   -1 :               0.00005715000702
                   +0 :              -0.00002409489997
                   +1 :               0.00001420744291
                3d
                   -2 :              -0.00000210000344
                   -1 :               0.00000023440091
                   +0 :              -0.00000293934973
                   +1 :               0.00000528265219
                   +2 :               0.00000412622849
             15 vec=   -12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000416404252
                2s
                   +0 :              -0.00005031464739
                3s
                   +0 :               0.00001859862040
                2p
                   -1 :               0.00007821872857
                   +0 :              -0.00002807860587
                   +1 :               0.00003016443636
                3p
                   -1 :              -0.00007718596615
                   +0 :               0.00003609141355
                   +1 :              -0.00003466953596
                3d
                   -2 :               0.00000781580893
                   -1 :               0.00000652293129
                   +0 :              -0.00000236260129
                   +1 :               0.00000300428160
                   +2 :               0.00000546214664
             16 vec=   -12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002256022219
                2s
                   +0 :              -0.00018996909081
                3s
                   +0 :               0.00006174218811
                2p
                   -1 :               0.00008576651389
                   +0 :              -0.00012670591621
                   +1 :               0.00013512686782
                3p
                   -1 :              -0.00003810050582
                   +0 :               0.00004453466244
                   +1 :              -0.00007276391399
                3d
                   -2 :              -0.00000349640696
                   -1 :               0.00000276163242
                   +0 :              -0.00000043203594
                   +1 :              -0.00000199751582
                   +2 :               0.00000195656783
             17 vec=    -4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002904547050
                2s
                   +0 :              -0.00019519877842
                3s
                   +0 :               0.00009104445838
                2p
                   -1 :              -0.00001464129238
                   +0 :               0.00009587371890
                   +1 :               0.00000397845265
                3p
                   -1 :              -0.00000115039411
                   +0 :              -0.00003662232133
                   +1 :              -0.00001986859134
                3d
                   -2 :               0.00000139483850
                   -1 :               0.00000247718808
                   +0 :               0.00000328987127
                   +1 :               0.00000631881736
                   +2 :               0.00000765667060
             18 vec=    -4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000592941126
                2s
                   +0 :               0.00004108581855
                3s
                   +0 :              -0.00001503059063
                2p
                   -1 :               0.00004688194257
                   +0 :               0.00002214634971
                   +1 :              -0.00006948292029
                3p
                   -1 :              -0.00002034963183
                   +0 :               0.00000592867571
                   +1 :               0.00005913681270
                3d
                   -2 :               0.00000390949140
                   -1 :               0.00000251071624
                   +0 :              -0.00000154841952
                   +1 :               0.00000426901064
                   +2 :              -0.00000608721049
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 29)  npairs=  14
              1 vec=     0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00008485132841
                2s
                   +0 :               0.00066993308179
                3s
                   +0 :              -0.00028423122519
                2p
                   -1 :              -0.00020460094686
                   +0 :              -0.00053387166749
                   +1 :               0.00036719619750
                3p
                   -1 :               0.00022116653172
                   +0 :               0.00038328816523
                   +1 :              -0.00022607881901
                3d
                   -2 :               0.00001806127460
                   -1 :              -0.00002395578670
                   +0 :              -0.00003699909205
                   +1 :               0.00000836889972
                   +2 :               0.00000107944870
              2 vec=     0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003411754347
                2s
                   +0 :              -0.00020823170901
                3s
                   +0 :               0.00013916834384
                2p
                   -1 :              -0.00013904782188
                   +0 :              -0.00044046043577
                   +1 :              -0.00020451903651
                3p
                   -1 :               0.00012412078365
                   +0 :               0.00047097352464
                   +1 :               0.00017188317401
                3d
                   -2 :               0.00001340299860
                   -1 :               0.00001048922113
                   +0 :               0.00004399787070
                   +1 :               0.00000702937079
                   +2 :              -0.00002014858631
              3 vec=     0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00005630308331
                2s
                   +0 :               0.00013356672919
                3s
                   +0 :              -0.00019949763056
                2p
                   -1 :              -0.00031995336372
                   +0 :               0.00020771219024
                   +1 :              -0.00058135600969
                3p
                   -1 :               0.00030507175811
                   +0 :               0.00003804754438
                   +1 :               0.00005141324886
                3d
                   -2 :               0.00000875022912
                   -1 :              -0.00002756754281
                   +0 :              -0.00000297697538
                   +1 :               0.00003459673252
                   +2 :               0.00000531370044
              4 vec=     0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000788408354
                2s
                   +0 :               0.00007831893492
                3s
                   +0 :              -0.00001985374049
                2p
                   -1 :               0.00026326239997
                   +0 :              -0.00005485904690
                   +1 :              -0.00052470115659
                3p
                   -1 :              -0.00018982727660
                   +0 :               0.00001192725808
                   +1 :               0.00011281122882
                3d
                   -2 :               0.00000971839407
                   -1 :               0.00000263329197
                   +0 :              -0.00000403137449
                   +1 :              -0.00002247627856
                   +2 :               0.00000741555049
              5 vec=    -7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00002486962496
                2s
                   +0 :              -0.00025862237942
                3s
                   +0 :               0.00010657496861
                2p
                   -1 :              -0.00001541161070
                   +0 :               0.00013069423172
                   +1 :              -0.00004675876787
                3p
                   -1 :               0.00012722231736
                   +0 :              -0.00004342648579
                   +1 :               0.00003693364075
                3d
                   -2 :              -0.00000749809443
                   -1 :              -0.00001072110261
                   +0 :               0.00001766086005
                   +1 :              -0.00000213232748
                   +2 :               0.00000197389932
              6 vec=    -7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003317220573
                2s
                   +0 :              -0.00028248040536
                3s
                   +0 :               0.00008710103440
                2p
                   -1 :               0.00004524884522
                   +0 :              -0.00012126635944
                   +1 :               0.00001397429057
                3p
                   -1 :               0.00007323426440
                   +0 :               0.00000617978573
                   +1 :               0.00002192896905
                3d
                   -2 :              -0.00000885697350
                   -1 :               0.00001688983200
                   +0 :              -0.00000063761257
                   +1 :               0.00000418150426
                   +2 :              -0.00000345003860
              7 vec=     7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001107459072
                2s
                   +0 :               0.00032312833714
                3s
                   +0 :               0.00001511322697
                2p
                   -1 :              -0.00028912784728
                   +0 :              -0.00035958042273
                   +1 :               0.00029785679327
                3p
                   -1 :               0.00010917867085
                   +0 :               0.00014314000145
                   +1 :              -0.00020831040388
                3d
                   -2 :               0.00000897242095
                   -1 :               0.00000558042906
                   +0 :              -0.00001139128411
                   +1 :               0.00000411966128
                   +2 :              -0.00002198773012
              8 vec=     7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001681952786
                2s
                   +0 :              -0.00004919589567
                3s
                   +0 :               0.00010015148316
                2p
                   -1 :              -0.00002985958797
                   +0 :              -0.00011636437421
                   +1 :              -0.00015151941708
                3p
                   -1 :              -0.00001554568534
                   +0 :               0.00015500107869
                   +1 :               0.00014286712011
                3d
                   -2 :              -0.00000845277054
                   -1 :              -0.00000629121513
                   +0 :              -0.00000744056691
                   +1 :               0.00002701811024
                   +2 :               0.00000850847599
              9 vec=    -7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001193790709
                2s
                   +0 :               0.00007223573300
                3s
                   +0 :              -0.00004746636301
                2p
                   -1 :               0.00004751106713
                   +0 :              -0.00005382241880
                   +1 :              -0.00018501634222
                3p
                   -1 :              -0.00003592954693
                   +0 :               0.00006403370721
                   +1 :               0.00015992715324
                3d
                   -2 :               0.00000138506359
                   -1 :               0.00000317655323
                   +0 :              -0.00000236366107
                   +1 :              -0.00000561172535
                   +2 :               0.00001301290583
             10 vec=    -7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000328395129
                2s
                   +0 :               0.00000646032806
                3s
                   +0 :              -0.00001334900473
                2p
                   -1 :              -0.00008793214903
                   +0 :               0.00002468867330
                   +1 :              -0.00009870555712
                3p
                   -1 :               0.00006075442668
                   +0 :              -0.00002770683507
                   +1 :               0.00009191293814
                3d
                   -2 :              -0.00000356839860
                   -1 :               0.00000259387550
                   +0 :               0.00000642388290
                   +1 :              -0.00000325449708
                   +2 :              -0.00001099731630
             11 vec=     7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00003055197821
                2s
                   +0 :               0.00019367357477
                3s
                   +0 :              -0.00007444350972
                2p
                   -1 :               0.00012287737924
                   +0 :              -0.00017209740374
                   +1 :               0.00033444860202
                3p
                   -1 :              -0.00005641160076
                   +0 :               0.00007660996349
                   +1 :              -0.00027645053775
                3d
                   -2 :              -0.00000983821062
                   -1 :               0.00000744426269
                   +0 :              -0.00000590829216
                   +1 :               0.00002073752858
                   +2 :              -0.00000230958351
             12 vec=     7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002608621078
                2s
                   +0 :              -0.00012656386003
                3s
                   +0 :               0.00008718087323
                2p
                   -1 :              -0.00000161709999
                   +0 :              -0.00014876542488
                   +1 :               0.00012735217316
                3p
                   -1 :               0.00002007788600
                   +0 :               0.00014594744681
                   +1 :              -0.00009480851086
                3d
                   -2 :              -0.00000536875110
                   -1 :               0.00000834375143
                   +0 :               0.00001527302031
                   +1 :              -0.00000107400364
                   +2 :               0.00000068351358
             13 vec=     0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001109444450
                2s
                   +0 :              -0.00005057250442
                3s
                   +0 :               0.00002018451640
                2p
                   -1 :               0.00005266581204
                   +0 :               0.00001164443454
                   +1 :              -0.00004337634733
                3p
                   -1 :              -0.00004074925240
                   +0 :               0.00000960446785
                   +1 :               0.00005584326504
                3d
                   -2 :               0.00000506584149
                   -1 :               0.00000679793776
                   +0 :              -0.00000064717507
                   +1 :              -0.00000736699136
                   +2 :               0.00000936655029
             14 vec=     0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002424210940
                2s
                   +0 :               0.00014407274421
                3s
                   +0 :              -0.00009464414099
                2p
                   -1 :               0.00005579966627
                   +0 :               0.00012688879649
                   +1 :               0.00001562727067
                3p
                   -1 :              -0.00004119447345
                   +0 :              -0.00012258648219
                   +1 :               0.00000115380845
                3d
                   -2 :               0.00000112160325
                   -1 :              -0.00000406770457
                   +0 :              -0.00000632910976
                   +1 :              -0.00000309681289
                   +2 :              -0.00000265836239
WF             site_B          number of pairs
WF( 44)=[O_13_2px]  to site O ( 30)  npairs=  14
              1 vec=    -2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003334045611
                2s
                   +0 :              -0.00005489961458
                3s
                   +0 :               0.00016309598303
                2p
                   -1 :              -0.00010922718122
                   +0 :               0.00023040228254
                   +1 :               0.00003401657729
                3p
                   -1 :              -0.00001184596370
                   +0 :              -0.00041951713076
                   +1 :              -0.00010684800022
                3d
                   -2 :               0.00002395146548
                   -1 :               0.00001535924455
                   +0 :               0.00006960263134
                   +1 :               0.00000965308769
                   +2 :               0.00001912370953
              2 vec=    -2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000800544871
                2s
                   +0 :              -0.00019319316121
                3s
                   +0 :              -0.00000093607029
                2p
                   -1 :               0.00003521413714
                   +0 :               0.00006249919435
                   +1 :               0.00003063766271
                3p
                   -1 :              -0.00010069867744
                   +0 :              -0.00011557533789
                   +1 :              -0.00008286296085
                3d
                   -2 :               0.00000768081311
                   -1 :              -0.00001687241982
                   +0 :              -0.00000911384521
                   +1 :              -0.00001792267026
                   +2 :              -0.00000411377442
              3 vec=     5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001525216674
                2s
                   +0 :               0.00028476484242
                3s
                   +0 :               0.00001784020671
                2p
                   -1 :               0.00030452046229
                   +0 :              -0.00015946037118
                   +1 :              -0.00025219450647
                3p
                   -1 :              -0.00008099666625
                   +0 :               0.00002322135500
                   +1 :               0.00011367362655
                3d
                   -2 :              -0.00000906368248
                   -1 :              -0.00000801939077
                   +0 :               0.00003297401787
                   +1 :               0.00000893926638
                   +2 :               0.00001582400920
              4 vec=     5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00011149333805
                2s
                   +0 :               0.00090977395454
                3s
                   +0 :              -0.00030123873037
                2p
                   -1 :               0.00016304376901
                   +0 :               0.00022140576524
                   +1 :               0.00032411354278
                3p
                   -1 :               0.00001428129151
                   +0 :               0.00007326267634
                   +1 :              -0.00028028877997
                3d
                   -2 :              -0.00002685857594
                   -1 :               0.00001090646933
                   +0 :               0.00002341531612
                   +1 :              -0.00000104865908
                   +2 :              -0.00001722656108
              5 vec=    -2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00006114570929
                2s
                   +0 :               0.00051464031859
                3s
                   +0 :              -0.00017722646607
                2p
                   -1 :               0.00030270637052
                   +0 :              -0.00040477362497
                   +1 :              -0.00009343452489
                3p
                   -1 :              -0.00017928978000
                   +0 :               0.00016925599758
                   +1 :               0.00005405854641
                3d
                   -2 :              -0.00000002489353
                   -1 :               0.00000263491998
                   +0 :              -0.00000436811846
                   +1 :              -0.00001891701455
                   +2 :               0.00001244051066
              6 vec=    -2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00001584567473
                2s
                   +0 :               0.00012773665173
                3s
                   +0 :              -0.00004271348704
                2p
                   -1 :              -0.00004446103502
                   +0 :               0.00012745350174
                   +1 :               0.00021105434893
                3p
                   -1 :               0.00005196143711
                   +0 :              -0.00007158555344
                   +1 :              -0.00018632318377
                3d
                   -2 :              -0.00000138207027
                   -1 :               0.00000442817799
                   +0 :              -0.00000335434869
                   +1 :               0.00000009009200
                   +2 :              -0.00000500919690
              7 vec=     5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001441503296
                2s
                   +0 :               0.00023246984162
                3s
                   +0 :               0.00002511067400
                2p
                   -1 :               0.00005575223754
                   +0 :              -0.00000090913591
                   +1 :               0.00010588385143
                3p
                   -1 :              -0.00007625020125
                   +0 :              -0.00022041129057
                   +1 :               0.00000933349505
                3d
                   -2 :              -0.00001024071078
                   -1 :               0.00001312732563
                   +0 :               0.00001423773805
                   +1 :              -0.00002454188197
                   +2 :               0.00001264196952
              8 vec=     5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00000130253089
                2s
                   +0 :               0.00026614166437
                3s
                   +0 :               0.00005817795216
                2p
                   -1 :               0.00003271370982
                   +0 :               0.00003628963725
                   +1 :               0.00018835532528
                3p
                   -1 :              -0.00000238462181
                   +0 :               0.00019354880186
                   +1 :              -0.00003332247072
                3d
                   -2 :               0.00000386357039
                   -1 :              -0.00000615193870
                   +0 :               0.00001345669909
                   +1 :               0.00002264278166
                   +2 :               0.00000094893659
              9 vec=   -10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000890858222
                2s
                   +0 :               0.00004446992769
                3s
                   +0 :              -0.00004573779517
                2p
                   -1 :              -0.00013679337460
                   +0 :              -0.00008515415388
                   +1 :               0.00007781042559
                3p
                   -1 :               0.00008107083724
                   +0 :               0.00012457897414
                   +1 :              -0.00004751882956
                3d
                   -2 :               0.00000445848212
                   -1 :              -0.00001032933829
                   +0 :              -0.00002038971906
                   +1 :               0.00000096192900
                   +2 :               0.00000668007547
             10 vec=   -10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000728278199
                2s
                   +0 :              -0.00009156141068
                3s
                   +0 :              -0.00000300909160
                2p
                   -1 :              -0.00003944362662
                   +0 :              -0.00002153764425
                   +1 :               0.00002538421723
                3p
                   -1 :              -0.00000442075048
                   +0 :              -0.00006068089848
                   +1 :              -0.00001824687402
                3d
                   -2 :              -0.00000763584487
                   -1 :               0.00000015666010
                   +0 :              -0.00001162410112
                   +1 :               0.00000149256196
                   +2 :              -0.00000322252815
             11 vec=    -2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000856364437
                2s
                   +0 :              -0.00004345946002
                3s
                   +0 :               0.00002782383407
                2p
                   -1 :              -0.00004807619516
                   +0 :               0.00002142415207
                   +1 :              -0.00003181517449
                3p
                   -1 :               0.00003361296476
                   +0 :               0.00002466752832
                   +1 :               0.00001422065335
                3d
                   -2 :               0.00000012408517
                   -1 :               0.00000135783636
                   +0 :               0.00000304793816
                   +1 :               0.00000044546828
                   +2 :              -0.00000366649015
             12 vec=    -2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000401618538
                2s
                   +0 :              -0.00002572936510
                3s
                   +0 :               0.00002206010919
                2p
                   -1 :              -0.00011979105619
                   +0 :              -0.00011674576652
                   +1 :              -0.00001806847639
                3p
                   -1 :               0.00008458121906
                   +0 :               0.00006142997529
                   +1 :               0.00000926456893
                3d
                   -2 :               0.00000043054692
                   -1 :               0.00000331697220
                   +0 :              -0.00000113334716
                   +1 :              -0.00000267585002
                   +2 :              -0.00000001112527
             13 vec=   -10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000557391744
                2s
                   +0 :              -0.00003441374462
                3s
                   +0 :              -0.00003425163113
                2p
                   -1 :               0.00005960418589
                   +0 :               0.00002036454550
                   +1 :               0.00011330710423
                3p
                   -1 :              -0.00003850278546
                   +0 :               0.00006067848717
                   +1 :              -0.00002606851291
                3d
                   -2 :               0.00000421959650
                   -1 :              -0.00000298033682
                   +0 :              -0.00000580508572
                   +1 :               0.00000147122664
                   +2 :              -0.00000399799119
             14 vec=   -10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000078380738
                2s
                   +0 :              -0.00003626705361
                3s
                   +0 :               0.00000625170598
                2p
                   -1 :               0.00003580729457
                   +0 :              -0.00003632916111
                   +1 :              -0.00001015602844
                3p
                   -1 :              -0.00001401331756
                   +0 :              -0.00001205370697
                   +1 :               0.00000254437930
                3d
                   -2 :               0.00000348785502
                   -1 :              -0.00000033959354
                   +0 :              -0.00000382158995
                   +1 :              -0.00000341877933
                   +2 :               0.00000092534864
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al(  1)  npairs=  15
              1 vec=    -0.209805     -3.115717     10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00024101990451
                2p
                   -1 :               0.00009103709026
                   +0 :              -0.00017447208643
                   +1 :              -0.00015611845992
                3s
                   +0 :               0.00156076047972
                4s
                   +0 :              -0.00091189996923
                3p
                   -1 :              -0.00137251930962
                   +0 :               0.00228838976042
                   +1 :               0.00068688757349
                4p
                   -1 :               0.00004863311772
                   +0 :              -0.00094729844121
                   +1 :              -0.00004580535359
                3d
                   -2 :               0.00018037882812
                   -1 :              -0.00055446066863
                   +0 :               0.00072325435758
                   +1 :               0.00019732894612
                   +2 :              -0.00003918657686
              2 vec=    -0.209805      5.868041     10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00000389521132
                2p
                   -1 :               0.00000202717549
                   +0 :               0.00004903611699
                   +1 :               0.00016699969064
                3s
                   +0 :               0.00026338777855
                4s
                   +0 :               0.00009502268496
                3p
                   -1 :               0.00017293218217
                   +0 :               0.00010892047497
                   +1 :              -0.00077834655233
                4p
                   -1 :               0.00006322311203
                   +0 :               0.00007697322930
                   +1 :               0.00026882012436
                3d
                   -2 :               0.00005876668421
                   -1 :              -0.00006772677977
                   +0 :               0.00000614862727
                   +1 :              -0.00007949828725
                   +2 :               0.00030983100209
              3 vec=     7.570358      1.376162     10.693237   |vec|=   13.173817
                2s
                   +0 :              -0.00030120388076
                2p
                   -1 :               0.00002473286512
                   +0 :              -0.00019134433883
                   +1 :              -0.00025267556217
                3s
                   +0 :              -0.00004976306993
                4s
                   +0 :              -0.00012134659770
                3p
                   -1 :              -0.00051207292604
                   +0 :               0.00013934081860
                   +1 :               0.00050477553098
                4p
                   -1 :               0.00009186375783
                   +0 :              -0.00011919595051
                   +1 :              -0.00018952818543
                3d
                   -2 :              -0.00012728280911
                   -1 :              -0.00014938301336
                   +0 :               0.00007380046612
                   +1 :              -0.00004992311726
                   +2 :               0.00003664219617
              4 vec=    -7.989968      1.376162     10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00006155326486
                2p
                   -1 :              -0.00016259653539
                   +0 :              -0.00009885011538
                   +1 :               0.00007735597555
                3s
                   +0 :              -0.00065209849070
                4s
                   +0 :               0.00005155350067
                3p
                   -1 :               0.00050469440916
                   +0 :              -0.00011063226715
                   +1 :               0.00016660048692
                4p
                   -1 :              -0.00016136180083
                   +0 :              -0.00007756992716
                   +1 :               0.00008829511022
                3d
                   -2 :               0.00010278478054
                   -1 :               0.00010511990779
                   +0 :               0.00004447363876
                   +1 :               0.00016095825134
                   +2 :              -0.00013425517676
              5 vec=    -0.209805     -3.115717    -13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00014410190710
                2p
                   -1 :               0.00005810401934
                   +0 :               0.00000243947825
                   +1 :              -0.00001757382170
                3s
                   +0 :               0.00023621696915
                4s
                   +0 :              -0.00003058602229
                3p
                   -1 :              -0.00025945180062
                   +0 :               0.00006227466391
                   +1 :               0.00010804833742
                4p
                   -1 :               0.00005956197645
                   +0 :              -0.00005405931882
                   +1 :              -0.00005006635553
                3d
                   -2 :               0.00001191185425
                   -1 :              -0.00002982788497
                   +0 :              -0.00002649390696
                   +1 :               0.00001558936460
                   +2 :               0.00001046514679
              6 vec=    -0.209805      5.868041    -13.854306   |vec|=   15.047249
                2s
                   +0 :               0.00004208884384
                2p
                   -1 :               0.00001902324448
                   +0 :               0.00001387899175
                   +1 :              -0.00000853134533
                3s
                   +0 :              -0.00016927340993
                4s
                   +0 :              -0.00002340544088
                3p
                   -1 :              -0.00022805737624
                   +0 :              -0.00003933935939
                   +1 :               0.00010324507711
                4p
                   -1 :              -0.00000198730565
                   +0 :               0.00004396458547
                   +1 :              -0.00003160865031
                3d
                   -2 :               0.00003963858695
                   -1 :              -0.00000411358458
                   +0 :               0.00001017131021
                   +1 :              -0.00001038935913
                   +2 :               0.00005543103781
              7 vec=     7.570358     -7.607596     10.693237   |vec|=   15.150285
                2s
                   +0 :              -0.00009481726010
                2p
                   -1 :              -0.00001240099090
                   +0 :              -0.00004131518745
                   +1 :              -0.00005887949902
                3s
                   +0 :               0.00031311919596
                4s
                   +0 :              -0.00007147124928
                3p
                   -1 :               0.00006152129699
                   +0 :               0.00027573902483
                   +1 :               0.00023398564942
                4p
                   -1 :              -0.00001731442527
                   +0 :              -0.00005666459041
                   +1 :              -0.00001524475238
                3d
                   -2 :              -0.00009627505892
                   -1 :              -0.00002501939840
                   +0 :               0.00004417477560
                   +1 :               0.00007403972699
                   +2 :               0.00000826525517
              8 vec=    -7.989968     -7.607596     10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00007804751468
                2p
                   -1 :               0.00000156534784
                   +0 :               0.00001978948548
                   +1 :               0.00000782429585
                3s
                   +0 :              -0.00032422378069
                4s
                   +0 :               0.00008893654766
                3p
                   -1 :               0.00007396686751
                   +0 :              -0.00010855509199
                   +1 :              -0.00000087019520
                4p
                   -1 :              -0.00002442031579
                   +0 :               0.00001577750220
                   +1 :               0.00000128681619
                3d
                   -2 :               0.00006362201958
                   -1 :              -0.00001181015618
                   +0 :              -0.00004722273637
                   +1 :              -0.00002627583850
                   +2 :               0.00004510334077
              9 vec=     7.570358      1.376162    -13.854306   |vec|=   15.847584
                2s
                   +0 :               0.00001990657371
                2p
                   -1 :              -0.00000017791912
                   +0 :              -0.00006935652954
                   +1 :               0.00000561241892
                3s
                   +0 :               0.00004738684498
                4s
                   +0 :               0.00004960012443
                3p
                   -1 :              -0.00005260701100
                   +0 :               0.00039226021447
                   +1 :               0.00014435407850
                4p
                   -1 :              -0.00002680314859
                   +0 :              -0.00013441111793
                   +1 :              -0.00000308033006
                3d
                   -2 :              -0.00007660604820
                   -1 :               0.00002152036748
                   +0 :              -0.00009899882188
                   +1 :               0.00000172922105
                   +2 :               0.00004999422224
             10 vec=    -7.989968      1.376162    -13.854306   |vec|=   16.052264
                2s
                   +0 :               0.00007350916100
                2p
                   -1 :               0.00003996671006
                   +0 :              -0.00003740878924
                   +1 :              -0.00001422666082
                3s
                   +0 :               0.00000944885198
                4s
                   +0 :               0.00004649151287
                3p
                   -1 :              -0.00031690746964
                   +0 :               0.00012329479384
                   +1 :              -0.00019529300888
                4p
                   -1 :               0.00002205126680
                   +0 :              -0.00002076792172
                   +1 :               0.00003581219582
                3d
                   -2 :               0.00004721343187
                   -1 :              -0.00001027232351
                   +0 :              -0.00007801502636
                   +1 :              -0.00001974837230
                   +2 :               0.00002501958577
             11 vec=    -0.209805    -12.099475     10.693237   |vec|=   16.148889
                2s
                   +0 :              -0.00026985310701
                2p
                   -1 :               0.00014346375036
                   +0 :              -0.00012524179550
                   +1 :               0.00000615460714
                3s
                   +0 :               0.00085304099848
                4s
                   +0 :              -0.00026034926129
                3p
                   -1 :              -0.00064890637258
                   +0 :               0.00057825737927
                   +1 :              -0.00006343438023
                4p
                   -1 :               0.00012992248686
                   +0 :              -0.00014662506362
                   +1 :               0.00002358478333
                3d
                   -2 :               0.00003855886738
                   -1 :              -0.00013042941656
                   +0 :               0.00003402465106
                   +1 :              -0.00001953820630
                   +2 :              -0.00001868659428
             12 vec=     7.570358     10.359920     10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00001349402894
                2p
                   -1 :              -0.00000569841383
                   +0 :               0.00000557849577
                   +1 :              -0.00001255791693
                3s
                   +0 :               0.00026268310350
                4s
                   +0 :               0.00000476726616
                3p
                   -1 :               0.00008454363599
                   +0 :               0.00009852256319
                   +1 :               0.00014526530325
                4p
                   -1 :               0.00000038259160
                   +0 :               0.00001888559065
                   +1 :               0.00000647158334
                3d
                   -2 :               0.00004339441081
                   -1 :               0.00003916491021
                   +0 :              -0.00001405758809
                   +1 :               0.00003583584039
                   +2 :               0.00003487866423
             13 vec=    -7.989968     10.359920     10.693237   |vec|=   16.897125
                2s
                   +0 :              -0.00011553972702
                2p
                   -1 :              -0.00002765891439
                   +0 :              -0.00003359007027
                   +1 :               0.00004147935674
                3s
                   +0 :               0.00054176457668
                4s
                   +0 :              -0.00013719455887
                3p
                   -1 :               0.00016974304345
                   +0 :               0.00026416974210
                   +1 :              -0.00025835495838
                4p
                   -1 :              -0.00003954145689
                   +0 :              -0.00004598484113
                   +1 :               0.00003341038312
                3d
                   -2 :              -0.00004881625984
                   -1 :               0.00003963291525
                   +0 :               0.00002664583000
                   +1 :              -0.00006778217093
                   +2 :              -0.00002394504246
             14 vec=     7.570358     -7.607596    -13.854306   |vec|=   17.525057
                2s
                   +0 :               0.00007966851075
                2p
                   -1 :              -0.00000583082557
                   +0 :              -0.00000378144891
                   +1 :               0.00004266196221
                3s
                   +0 :              -0.00035034639880
                4s
                   +0 :               0.00005931284878
                3p
                   -1 :               0.00004545307884
                   +0 :               0.00002560361529
                   +1 :              -0.00027852810207
                4p
                   -1 :               0.00000647022518
                   +0 :               0.00000396272778
                   +1 :               0.00003942200010
                3d
                   -2 :               0.00000670889650
                   -1 :               0.00000019553635
                   +0 :               0.00003936696958
                   +1 :               0.00002130702953
                   +2 :              -0.00006716724917
             15 vec=    -7.989968     -7.607596    -13.854306   |vec|=   17.710361
                2s
                   +0 :              -0.00009504051603
                2p
                   -1 :               0.00003891308394
                   +0 :               0.00000849511640
                   +1 :               0.00005646765963
                3s
                   +0 :               0.00022043053985
                4s
                   +0 :              -0.00005610157841
                3p
                   -1 :              -0.00015144074622
                   +0 :               0.00000161813249
                   +1 :              -0.00021745732474
                4p
                   -1 :               0.00003982422049
                   +0 :              -0.00001820582923
                   +1 :               0.00003280219610
                3d
                   -2 :               0.00004322489379
                   -1 :              -0.00000251945335
                   +0 :              -0.00001278908941
                   +1 :               0.00003012951029
                   +2 :               0.00001280874712
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al(  2)  npairs=  13
              1 vec=    -0.209805     -3.115717     -6.601980   |vec|=    7.303276
                2s
                   +0 :               0.00142514456878
                2p
                   -1 :              -0.00026965036661
                   +0 :              -0.00125673095788
                   +1 :               0.00001145098539
                3s
                   +0 :              -0.00492127275396
                4s
                   +0 :               0.00257309060405
                3p
                   -1 :               0.00243583454603
                   +0 :               0.00144932152118
                   +1 :              -0.00036488532985
                4p
                   -1 :              -0.00107703766913
                   +0 :              -0.00138019103543
                   +1 :               0.00035187809813
                3d
                   -2 :              -0.00086340922768
                   -1 :               0.00133091152086
                   +0 :               0.00110889556147
                   +1 :              -0.00022862227735
                   +2 :              -0.00016935629874
              2 vec=    -0.209805      5.868041     -6.601980   |vec|=    8.835387
                2s
                   +0 :              -0.00186129859220
                2p
                   -1 :               0.00000337651640
                   +0 :               0.00035750532177
                   +1 :               0.00000148567500
                3s
                   +0 :               0.01755365432129
                4s
                   +0 :              -0.00223057423710
                3p
                   -1 :               0.00690569280933
                   +0 :              -0.00929336297639
                   +1 :              -0.00030547962481
                4p
                   -1 :               0.00040856771544
                   +0 :               0.00063596288495
                   +1 :               0.00000115871171
                3d
                   -2 :               0.00046605525972
                   -1 :              -0.00307355533715
                   +0 :               0.00078447249931
                   +1 :               0.00003205174096
                   +2 :              -0.00220314474788
              3 vec=     7.570358      1.376162     -6.601980   |vec|=   10.138554
                2s
                   +0 :              -0.00133099492922
                2p
                   -1 :              -0.00027161469527
                   +0 :               0.00045243483730
                   +1 :              -0.00076579862624
                3s
                   +0 :               0.00595556347199
                4s
                   +0 :              -0.00266176271352
                3p
                   -1 :               0.00143862420875
                   +0 :              -0.00353069965826
                   +1 :               0.00456702832726
                4p
                   -1 :              -0.00046695885025
                   +0 :               0.00105048327713
                   +1 :              -0.00154264342376
                3d
                   -2 :               0.00030870872904
                   -1 :              -0.00033323404229
                   +0 :              -0.00022809426520
                   +1 :              -0.00085700021316
                   +2 :               0.00076759287566
              4 vec=    -7.989968      1.376162     -6.601980   |vec|=   10.455599
                2s
                   +0 :              -0.00038618804020
                2p
                   -1 :               0.00004310913192
                   +0 :              -0.00002418062141
                   +1 :               0.00033417779735
                3s
                   +0 :               0.00174775135708
                4s
                   +0 :              -0.00074010371137
                3p
                   -1 :              -0.00025302102785
                   +0 :              -0.00076586517290
                   +1 :              -0.00212970633547
                4p
                   -1 :              -0.00002535686155
                   +0 :               0.00021872413911
                   +1 :               0.00066630577090
                3d
                   -2 :               0.00000808806314
                   -1 :               0.00047911503574
                   +0 :              -0.00030169791855
                   +1 :               0.00052357202524
                   +2 :               0.00033759629244
              5 vec=     7.570358     -7.607596     -6.601980   |vec|=   12.600475
                2s
                   +0 :              -0.00000827255797
                2p
                   -1 :               0.00017458851603
                   +0 :              -0.00009207566886
                   +1 :              -0.00013083156950
                3s
                   +0 :              -0.00104866954177
                4s
                   +0 :               0.00036836593876
                3p
                   -1 :              -0.00070037806696
                   +0 :               0.00103253798534
                   +1 :               0.00004902673908
                4p
                   -1 :               0.00025674204643
                   +0 :              -0.00020611964939
                   +1 :              -0.00003448130934
                3d
                   -2 :               0.00002257819353
                   -1 :              -0.00008436351660
                   +0 :              -0.00017121266723
                   +1 :               0.00014763842102
                   +2 :              -0.00000603419668
              6 vec=    -7.989968     -7.607596     -6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00020108567950
                2p
                   -1 :               0.00002382990158
                   +0 :               0.00010643000015
                   +1 :               0.00007493575737
                3s
                   +0 :              -0.00150856330208
                4s
                   +0 :               0.00016921235082
                3p
                   -1 :               0.00020924987930
                   +0 :               0.00017936563863
                   +1 :               0.00009579984278
                4p
                   -1 :              -0.00001402866395
                   +0 :               0.00001361110755
                   +1 :               0.00014721815842
                3d
                   -2 :              -0.00023107374694
                   -1 :              -0.00001273221315
                   +0 :               0.00011173465813
                   +1 :              -0.00003899734399
                   +2 :              -0.00004911306394
              7 vec=    -0.209805    -12.099475     -6.601980   |vec|=   13.785044
                2s
                   +0 :               0.00003083999344
                2p
                   -1 :              -0.00012596144260
                   +0 :               0.00003239918319
                   +1 :              -0.00021096977093
                3s
                   +0 :              -0.00077572312875
                4s
                   +0 :               0.00054185053090
                3p
                   -1 :               0.00127133002330
                   +0 :               0.00001114917347
                   +1 :               0.00078036830443
                4p
                   -1 :              -0.00059158344771
                   +0 :              -0.00010845397877
                   +1 :              -0.00012708684533
                3d
                   -2 :               0.00010999748200
                   -1 :              -0.00001709481044
                   +0 :               0.00007660745503
                   +1 :               0.00001010590388
                   +2 :               0.00015640441531
              8 vec=     7.570358     10.359920     -6.601980   |vec|=   14.429982
                2s
                   +0 :              -0.00022019329254
                2p
                   -1 :              -0.00007953890695
                   +0 :               0.00014063119814
                   +1 :               0.00006385234921
                3s
                   +0 :               0.00089475525006
                4s
                   +0 :              -0.00017453567583
                3p
                   -1 :               0.00034172142819
                   +0 :              -0.00068789555093
                   +1 :              -0.00034404364484
                4p
                   -1 :              -0.00003411996979
                   +0 :               0.00010484296581
                   +1 :               0.00017405786274
                3d
                   -2 :              -0.00008865136156
                   -1 :              -0.00013653858420
                   +0 :               0.00006607911089
                   +1 :               0.00003165831208
                   +2 :               0.00000500413083
              9 vec=    -7.989968     10.359920     -6.601980   |vec|=   14.654476
                2s
                   +0 :               0.00008331390060
                2p
                   -1 :               0.00006710990280
                   +0 :              -0.00003110020641
                   +1 :               0.00001062920106
                3s
                   +0 :              -0.00013625727059
                4s
                   +0 :              -0.00003535932962
                3p
                   -1 :              -0.00038800896443
                   +0 :               0.00006839207943
                   +1 :              -0.00013554243435
                4p
                   -1 :               0.00005361026409
                   +0 :               0.00002416024962
                   +1 :               0.00004515952234
                3d
                   -2 :              -0.00001836605704
                   -1 :               0.00008330433027
                   +0 :               0.00002695697141
                   +1 :               0.00003363955307
                   +2 :               0.00005155715620
             10 vec=    -0.209805     14.851799     -6.601980   |vec|=   16.254417
                2s
                   +0 :              -0.00016382934315
                2p
                   -1 :              -0.00005427036289
                   +0 :               0.00006664589905
                   +1 :               0.00002029533281
                3s
                   +0 :               0.00057467609120
                4s
                   +0 :              -0.00009304125263
                3p
                   -1 :               0.00019979750437
                   +0 :              -0.00031791993632
                   +1 :              -0.00013164095235
                4p
                   -1 :               0.00000799820838
                   +0 :               0.00006527799614
                   +1 :               0.00004875081544
                3d
                   -2 :              -0.00003369371977
                   -1 :              -0.00006355779964
                   +0 :               0.00002502250289
                   +1 :              -0.00001044931381
                   +2 :              -0.00001260211267
             11 vec=    15.350520     -3.115717     -6.601980   |vec|=   16.998009
                2s
                   +0 :               0.00002485717532
                2p
                   -1 :              -0.00002872611371
                   +0 :              -0.00001702051443
                   +1 :               0.00001843693846
                3s
                   +0 :              -0.00010838601528
                4s
                   +0 :               0.00004082174537
                3p
                   -1 :               0.00014287164870
                   +0 :               0.00008177529013
                   +1 :              -0.00009685726438
                4p
                   -1 :              -0.00003361969096
                   +0 :              -0.00001035377073
                   +1 :               0.00002677234701
                3d
                   -2 :               0.00003596811359
                   -1 :              -0.00002415064814
                   +0 :               0.00001216199577
                   +1 :               0.00000435717571
                   +2 :               0.00005525716283
             12 vec=   -15.770130     -3.115717     -6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00006159343530
                2p
                   -1 :              -0.00001213959046
                   +0 :              -0.00003634871604
                   +1 :              -0.00000942215660
                3s
                   +0 :              -0.00026005642032
                4s
                   +0 :               0.00007123864281
                3p
                   -1 :               0.00005065291407
                   +0 :               0.00021078332164
                   +1 :               0.00005040518741
                4p
                   -1 :              -0.00001316718043
                   +0 :              -0.00005007099238
                   +1 :               0.00000137354513
                3d
                   -2 :              -0.00001311133674
                   -1 :              -0.00002369658850
                   +0 :              -0.00001506897090
                   +1 :              -0.00004683142155
                   +2 :               0.00002164050156
             13 vec=    15.350520      5.868041     -6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00002827711001
                2p
                   -1 :              -0.00001366720171
                   +0 :              -0.00000728705954
                   +1 :              -0.00000890480923
                3s
                   +0 :               0.00016999213505
                4s
                   +0 :              -0.00007122564158
                3p
                   -1 :               0.00014814847964
                   +0 :               0.00001147978688
                   +1 :               0.00007578470334
                4p
                   -1 :              -0.00006818069788
                   +0 :               0.00000646892374
                   +1 :              -0.00002324784207
                3d
                   -2 :               0.00001910471863
                   -1 :               0.00001003841893
                   +0 :              -0.00000098086305
                   +1 :               0.00002141807494
                   +2 :               0.00000715723285
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Cr(  3)  npairs=  14
              1 vec=    -0.209805     -3.115717      5.671791   |vec|=    6.474637
                3s
                   +0 :              -0.00358949870694
                3p
                   -1 :               0.00136633741895
                   +0 :              -0.00017135902548
                   +1 :               0.00046690233130
                4s
                   +0 :               0.00740536479210
                5s
                   +0 :              -0.00167359715169
                3d
                   -2 :               0.00018428771672
                   -1 :               0.00103280488377
                   +0 :               0.00247853005759
                   +1 :              -0.00001331992984
                   +2 :              -0.00002271374633
                4d
                   -2 :               0.00018220716025
                   -1 :              -0.00251703925548
                   +0 :               0.00334703110787
                   +1 :               0.00022463931543
                   +2 :              -0.00136535016663
                4p
                   -1 :              -0.00250531592932
                   +0 :               0.00260023414806
                   +1 :              -0.00064717897390
              2 vec=    -0.209805      5.868041      5.671791   |vec|=    8.163770
                3s
                   +0 :              -0.00098420758385
                3p
                   -1 :              -0.00026886292451
                   +0 :               0.00089797949221
                   +1 :              -0.00036128921642
                4s
                   +0 :              -0.00134992050981
                5s
                   +0 :               0.00001503141775
                3d
                   -2 :              -0.00099435523583
                   -1 :               0.00130194045442
                   +0 :               0.00358271693615
                   +1 :              -0.00021860526412
                   +2 :               0.00262844906608
                4d
                   -2 :              -0.00012054522845
                   -1 :               0.00079003309271
                   +0 :              -0.00004786264392
                   +1 :               0.00020315771357
                   +2 :              -0.00016687010983
                4p
                   -1 :              -0.00050155949572
                   +0 :               0.00052251209431
                   +1 :               0.00061138216306
              3 vec=     7.570358      1.376162      5.671791   |vec|=    9.558941
                3s
                   +0 :               0.00104904786887
                3p
                   -1 :              -0.00030967122976
                   +0 :               0.00040390968972
                   +1 :               0.00083183649154
                4s
                   +0 :              -0.00278216197787
                5s
                   +0 :               0.00055742175922
                3d
                   -2 :               0.00065644227968
                   -1 :               0.00053617406600
                   +0 :               0.00040457545898
                   +1 :               0.00010268203036
                   +2 :               0.00063640644449
                4d
                   -2 :              -0.00011972956415
                   -1 :              -0.00005999541890
                   +0 :               0.00016076384976
                   +1 :              -0.00087886804319
                   +2 :              -0.00087680236986
                4p
                   -1 :               0.00008275808454
                   +0 :              -0.00071900257583
                   +1 :              -0.00196212453421
              4 vec=    -7.989968      1.376162      5.671791   |vec|=    9.894576
                3s
                   +0 :               0.00057682432574
                3p
                   -1 :               0.00072061166938
                   +0 :               0.00037060690091
                   +1 :              -0.00002750678131
                4s
                   +0 :              -0.00160906361453
                5s
                   +0 :               0.00041540081840
                3d
                   -2 :              -0.00103074126533
                   -1 :               0.00045690142442
                   +0 :               0.00047328065457
                   +1 :              -0.00026271552575
                   +2 :               0.00037629878148
                4d
                   -2 :               0.00027574615463
                   -1 :              -0.00008131810811
                   +0 :              -0.00029488718329
                   +1 :               0.00080268210248
                   +2 :              -0.00058705578738
                4p
                   -1 :              -0.00125740948392
                   +0 :              -0.00074125168460
                   +1 :               0.00027416632147
              5 vec=     7.570358     -7.607596      5.671791   |vec|=   12.138989
                3s
                   +0 :               0.00014333160093
                3p
                   -1 :              -0.00013628625603
                   +0 :               0.00003062550477
                   +1 :               0.00016937971853
                4s
                   +0 :              -0.00009324862065
                5s
                   +0 :               0.00002367892426
                3d
                   -2 :              -0.00056429652856
                   -1 :              -0.00024929730148
                   +0 :              -0.00033551612893
                   +1 :               0.00022976495098
                   +2 :               0.00007104023949
                4d
                   -2 :              -0.00001469683420
                   -1 :               0.00006077130319
                   +0 :               0.00000768385315
                   +1 :              -0.00006562894243
                   +2 :              -0.00013728672766
                4p
                   -1 :               0.00006700312383
                   +0 :               0.00000874868269
                   +1 :              -0.00003304803087
              6 vec=    -7.989968     -7.607596      5.671791   |vec|=   12.405012
                3s
                   +0 :              -0.00025451414947
                3p
                   -1 :               0.00001023226616
                   +0 :              -0.00010349367446
                   +1 :               0.00014409621416
                4s
                   +0 :               0.00086508172197
                5s
                   +0 :              -0.00000928720784
                3d
                   -2 :               0.00058013796787
                   -1 :              -0.00007427453431
                   +0 :              -0.00058043112199
                   +1 :               0.00006587604539
                   +2 :               0.00021968092817
                4d
                   -2 :               0.00016301079095
                   -1 :              -0.00013327530168
                   +0 :               0.00002474282684
                   +1 :              -0.00031712927469
                   +2 :               0.00021402670371
                4p
                   -1 :              -0.00025175396562
                   +0 :               0.00027758256040
                   +1 :              -0.00079655086491
              7 vec=    -0.209805    -12.099475      5.671791   |vec|=   13.364525
                3s
                   +0 :               0.00044485355738
                3p
                   -1 :              -0.00003614072473
                   +0 :               0.00000500133217
                   +1 :               0.00007894197415
                4s
                   +0 :              -0.00091707494796
                5s
                   +0 :               0.00011723468019
                3d
                   -2 :              -0.00015602823521
                   -1 :               0.00003739585508
                   +0 :              -0.00013910283699
                   +1 :               0.00006644744088
                   +2 :               0.00019102777146
                4d
                   -2 :               0.00025551028359
                   -1 :              -0.00007894617822
                   +0 :               0.00011924368574
                   +1 :              -0.00016821626845
                   +2 :              -0.00001333333088
                4p
                   -1 :               0.00016574537767
                   +0 :              -0.00006129563666
                   +1 :              -0.00017999442385
              8 vec=     7.570358     10.359920      5.671791   |vec|=   14.028809
                3s
                   +0 :              -0.00009769727783
                3p
                   -1 :              -0.00013724439361
                   +0 :              -0.00006564740584
                   +1 :              -0.00012851718909
                4s
                   +0 :              -0.00000928039115
                5s
                   +0 :               0.00001588826112
                3d
                   -2 :               0.00013289408866
                   -1 :              -0.00028373960637
                   +0 :               0.00000893423718
                   +1 :               0.00002465611687
                   +2 :               0.00023113081109
                4d
                   -2 :               0.00004915719954
                   -1 :               0.00013195038227
                   +0 :              -0.00001130334364
                   +1 :               0.00012985510168
                   +2 :              -0.00002462796560
                4p
                   -1 :               0.00009032486740
                   +0 :               0.00008467281646
                   +1 :               0.00022268869182
              9 vec=    -7.989968     10.359920      5.671791   |vec|=   14.259619
                3s
                   +0 :              -0.00005801397678
                3p
                   -1 :              -0.00009036121590
                   +0 :              -0.00009143537462
                   +1 :               0.00008171299363
                4s
                   +0 :               0.00010819643936
                5s
                   +0 :              -0.00001851607213
                3d
                   -2 :              -0.00006647512609
                   -1 :              -0.00004618751086
                   +0 :              -0.00011494348387
                   +1 :              -0.00003035421224
                   +2 :               0.00004359254277
                4d
                   -2 :              -0.00010349291969
                   -1 :               0.00006841894062
                   +0 :              -0.00004669673611
                   +1 :              -0.00012197631617
                   +2 :              -0.00011880522642
                4p
                   -1 :               0.00023460345596
                   +0 :               0.00013313034511
                   +1 :              -0.00014553888007
             10 vec=    -0.209805     14.851799      5.671791   |vec|=   15.899345
                3s
                   +0 :              -0.00029418294942
                3p
                   -1 :              -0.00021146370563
                   +0 :              -0.00007311869919
                   +1 :               0.00000227504720
                4s
                   +0 :               0.00057368767434
                5s
                   +0 :              -0.00004085638921
                3d
                   -2 :              -0.00004425585426
                   -1 :              -0.00027090204839
                   +0 :               0.00006089283967
                   +1 :               0.00001334852559
                   +2 :               0.00027858431010
                4d
                   -2 :               0.00003039664818
                   -1 :               0.00014098331780
                   +0 :              -0.00006703885171
                   +1 :              -0.00000035872396
                   +2 :              -0.00015662596668
                4p
                   -1 :               0.00042575749267
                   +0 :               0.00013213867607
                   +1 :               0.00001330725533
             11 vec=    15.350520     -3.115717      5.671791   |vec|=   16.658793
                3s
                   +0 :               0.00000721873708
                3p
                   -1 :               0.00001457541616
                   +0 :              -0.00002426352653
                   +1 :              -0.00004325692298
                4s
                   +0 :               0.00006940076950
                5s
                   +0 :              -0.00001066273841
                3d
                   -2 :              -0.00000213149586
                   -1 :              -0.00004441800387
                   +0 :               0.00000640358481
                   +1 :              -0.00004690617362
                   +2 :              -0.00009434354648
                4d
                   -2 :              -0.00004510194069
                   -1 :              -0.00000621027974
                   +0 :              -0.00001689508922
                   +1 :               0.00005903117253
                   +2 :               0.00008354776624
                4p
                   -1 :              -0.00005871086512
                   +0 :               0.00005623059232
                   +1 :               0.00012001824751
             12 vec=   -15.770130     -3.115717      5.671791   |vec|=   17.046229
                3s
                   +0 :               0.00001495179027
                3p
                   -1 :              -0.00002136800015
                   +0 :              -0.00002485547202
                   +1 :               0.00001875183520
                4s
                   +0 :               0.00005277035059
                5s
                   +0 :              -0.00001090252311
                3d
                   -2 :               0.00003398036252
                   -1 :              -0.00002355745893
                   +0 :              -0.00002165295252
                   +1 :               0.00002083168962
                   +2 :              -0.00003351290224
                4d
                   -2 :               0.00001937078012
                   -1 :              -0.00002264282151
                   +0 :               0.00002055546957
                   +1 :              -0.00006939056039
                   +2 :               0.00003952490408
                4p
                   -1 :               0.00002874411208
                   +0 :               0.00007505064882
                   +1 :              -0.00006971448471
             13 vec=    15.350520      5.868041      5.671791   |vec|=   17.385097
                3s
                   +0 :              -0.00001427542921
                3p
                   -1 :               0.00001707968125
                   +0 :              -0.00001066163974
                   +1 :              -0.00001027007895
                4s
                   +0 :              -0.00000706880648
                5s
                   +0 :               0.00000572072802
                3d
                   -2 :               0.00006707882503
                   -1 :               0.00008718495236
                   +0 :              -0.00001328568370
                   +1 :              -0.00004349539830
                   +2 :              -0.00001077168228
                4d
                   -2 :              -0.00000504040950
                   -1 :              -0.00000595227426
                   +0 :               0.00000027592267
                   +1 :              -0.00000107463587
                   +2 :              -0.00001124281054
                4p
                   -1 :              -0.00001874376117
                   +0 :               0.00001090588522
                   +1 :              -0.00000270454082
             14 vec=   -15.770130      5.868041      5.671791   |vec|=   17.756693
                3s
                   +0 :              -0.00003646611047
                3p
                   -1 :               0.00004490028907
                   +0 :               0.00001590882777
                   +1 :               0.00004637339936
                4s
                   +0 :               0.00002526737251
                5s
                   +0 :               0.00000484791118
                3d
                   -2 :              -0.00004843874721
                   -1 :               0.00012018137364
                   +0 :              -0.00001756868971
                   +1 :               0.00007543472081
                   +2 :              -0.00009016436300
                4d
                   -2 :               0.00000824164285
                   -1 :              -0.00003421981761
                   +0 :               0.00001988866333
                   +1 :              -0.00000637333492
                   +2 :               0.00003523947097
                4p
                   -1 :              -0.00006521812915
                   +0 :              -0.00002464369317
                   +1 :              -0.00004442929346
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al(  4)  npairs=  14
              1 vec=    -0.209805     -3.115717     -1.580534   |vec|=    3.499971
                2s
                   +0 :              -0.04490074206369
                2p
                   -1 :               0.04243275105964
                   +0 :               0.02837193060344
                   +1 :               0.00171109525483
                3s
                   +0 :              -0.10441012336635
                4s
                   +0 :              -0.01647951072566
                3p
                   -1 :               0.06553352674848
                   +0 :               0.05189677554236
                   +1 :               0.02017327192690
                4p
                   -1 :               0.02381311807225
                   +0 :               0.01332554615766
                   +1 :              -0.00313600430119
                3d
                   -2 :              -0.00787361062373
                   -1 :              -0.05891477822397
                   +0 :              -0.00422053893997
                   +1 :              -0.00451877965579
                   +2 :               0.03691053987643
              2 vec=    -0.209805      5.868041     -1.580534   |vec|=    6.080790
                2s
                   +0 :              -0.00448682120770
                2p
                   -1 :              -0.00336810690380
                   +0 :               0.00146313066633
                   +1 :              -0.00040832532828
                3s
                   +0 :               0.00626280984876
                4s
                   +0 :              -0.00633695681186
                3p
                   -1 :               0.01045841929374
                   +0 :              -0.00728922762661
                   +1 :               0.00450844204224
                4p
                   -1 :              -0.00417086359069
                   +0 :               0.00261305094839
                   +1 :              -0.00126242561900
                3d
                   -2 :               0.00194370077654
                   -1 :              -0.00281126196357
                   +0 :              -0.00299397699950
                   +1 :              -0.00020108407350
                   +2 :              -0.00437059205531
              3 vec=     7.570358      1.376162     -1.580534   |vec|=    7.855076
                2s
                   +0 :              -0.00015292087765
                2p
                   -1 :               0.00030501221345
                   +0 :              -0.00073199531425
                   +1 :              -0.00020312191860
                3s
                   +0 :              -0.00235518917034
                4s
                   +0 :               0.00006847049745
                3p
                   -1 :              -0.00076806079787
                   +0 :               0.00414944033681
                   +1 :              -0.00265714549710
                4p
                   -1 :              -0.00005518658431
                   +0 :              -0.00065631360240
                   +1 :              -0.00007092654211
                3d
                   -2 :              -0.00022867006504
                   -1 :               0.00037873200655
                   +0 :               0.00017740311188
                   +1 :               0.00203936256277
                   +2 :              -0.00094775023421
              4 vec=    -7.989968      1.376162     -1.580534   |vec|=    8.260236
                2s
                   +0 :              -0.00026625369700
                2p
                   -1 :              -0.00044817821441
                   +0 :               0.00042902593466
                   +1 :              -0.00014240569806
                3s
                   +0 :              -0.00017972100540
                4s
                   +0 :              -0.00070690028637
                3p
                   -1 :               0.00192850935700
                   +0 :              -0.00176814100282
                   +1 :               0.00235307869505
                4p
                   -1 :              -0.00082735242561
                   +0 :               0.00066115596940
                   +1 :               0.00007406904417
                3d
                   -2 :               0.00019570161948
                   -1 :              -0.00038782055606
                   +0 :               0.00032252283682
                   +1 :              -0.00076876662831
                   +2 :              -0.00124887783904
              5 vec=     7.570358     -7.607596     -1.580534   |vec|=   10.848222
                2s
                   +0 :               0.00044235473601
                2p
                   -1 :              -0.00048836499941
                   +0 :               0.00021845269950
                   +1 :               0.00014442151786
                3s
                   +0 :              -0.00113745244178
                4s
                   +0 :               0.00024700988714
                3p
                   -1 :               0.00165693672759
                   +0 :              -0.00059890923001
                   +1 :              -0.00085355858872
                4p
                   -1 :              -0.00042915744200
                   +0 :               0.00003194085094
                   +1 :              -0.00000454095431
                3d
                   -2 :               0.00079069204556
                   -1 :               0.00008514065355
                   +0 :               0.00017718391732
                   +1 :               0.00024742422903
                   +2 :               0.00062154466326
              6 vec=    -7.989968     -7.607596     -1.580534   |vec|=   11.145097
                2s
                   +0 :              -0.00012558115589
                2p
                   -1 :               0.00007903601297
                   +0 :              -0.00017759598572
                   +1 :              -0.00018200251653
                3s
                   +0 :              -0.00006838792130
                4s
                   +0 :               0.00069176987437
                3p
                   -1 :              -0.00032621804201
                   +0 :               0.00092867082931
                   +1 :               0.00169468438554
                4p
                   -1 :              -0.00013403255109
                   +0 :              -0.00023336598245
                   +1 :              -0.00057226452661
                3d
                   -2 :               0.00001585706591
                   -1 :              -0.00005242469325
                   +0 :               0.00027415135744
                   +1 :              -0.00059856651151
                   +2 :              -0.00099223547751
              7 vec=    -0.209805    -12.099475     -1.580534   |vec|=   12.204073
                2s
                   +0 :               0.00030446929124
                2p
                   -1 :              -0.00016865797455
                   +0 :              -0.00008393392023
                   +1 :              -0.00015179494091
                3s
                   +0 :              -0.00137674706939
                4s
                   +0 :               0.00010472946562
                3p
                   -1 :               0.00127369079418
                   +0 :               0.00074982247830
                   +1 :               0.00077192622919
                4p
                   -1 :              -0.00020550245682
                   +0 :              -0.00000030667474
                   +1 :              -0.00035338265960
                3d
                   -2 :              -0.00008047095285
                   -1 :              -0.00018616852231
                   +0 :               0.00013632665965
                   +1 :               0.00008125367141
                   +2 :               0.00024733917102
              8 vec=     7.570358     10.359920     -1.580534   |vec|=   12.928122
                2s
                   +0 :              -0.00009415278557
                2p
                   -1 :               0.00004989992690
                   +0 :              -0.00018308666341
                   +1 :               0.00015050734632
                3s
                   +0 :               0.00202101306947
                4s
                   +0 :              -0.00024301405531
                3p
                   -1 :              -0.00038273375613
                   +0 :              -0.00045900763748
                   +1 :               0.00082711684923
                4p
                   -1 :               0.00001907329231
                   +0 :              -0.00010190599692
                   +1 :               0.00007533464231
                3d
                   -2 :              -0.00021194711992
                   -1 :               0.00008586676508
                   +0 :               0.00025422369582
                   +1 :              -0.00052483023786
                   +2 :               0.00044995714907
              9 vec=    -7.989968     10.359920     -1.580534   |vec|=   13.178225
                2s
                   +0 :               0.00005849438092
                2p
                   -1 :              -0.00003698224062
                   +0 :               0.00004056802765
                   +1 :              -0.00011789271523
                3s
                   +0 :               0.00171495006339
                4s
                   +0 :              -0.00000551471977
                3p
                   -1 :               0.00050629577993
                   +0 :              -0.00163972957737
                   +1 :              -0.00084190935362
                4p
                   -1 :              -0.00001185542657
                   +0 :               0.00020384009372
                   +1 :              -0.00008493054693
                3d
                   -2 :              -0.00021192904994
                   -1 :              -0.00034287932970
                   +0 :               0.00015403590893
                   +1 :               0.00059054442664
                   +2 :               0.00022986958671
             10 vec=    -0.209805     14.851799     -1.580534   |vec|=   14.937136
                2s
                   +0 :              -0.00021270389821
                2p
                   -1 :              -0.00003032627014
                   +0 :              -0.00002351549816
                   +1 :              -0.00000918892540
                3s
                   +0 :               0.00112608940019
                4s
                   +0 :              -0.00026490220263
                3p
                   -1 :               0.00027751686725
                   +0 :              -0.00008363814560
                   +1 :              -0.00003665463885
                4p
                   -1 :              -0.00005806495463
                   +0 :              -0.00004878405363
                   +1 :               0.00001424814199
                3d
                   -2 :              -0.00002028084711
                   -1 :               0.00000781360060
                   +0 :               0.00003989462263
                   +1 :              -0.00001436769255
                   +2 :               0.00002392791142
             11 vec=    15.350520     -3.115717     -1.580534   |vec|=   15.743070
                2s
                   +0 :              -0.00001581809511
                2p
                   -1 :              -0.00003155496685
                   +0 :               0.00001771561874
                   +1 :              -0.00003153768082
                3s
                   +0 :              -0.00000006394005
                4s
                   +0 :              -0.00000696747904
                3p
                   -1 :               0.00011649752899
                   +0 :              -0.00008521684097
                   +1 :               0.00006248875933
                4p
                   -1 :              -0.00002619078724
                   +0 :               0.00001891105475
                   +1 :               0.00000318344208
                3d
                   -2 :              -0.00000027641940
                   -1 :               0.00003517241053
                   +0 :              -0.00000645236972
                   +1 :              -0.00004778492507
                   +2 :              -0.00000784600532
             12 vec=   -15.770130     -3.115717     -1.580534   |vec|=   16.152486
                2s
                   +0 :               0.00005570645680
                2p
                   -1 :               0.00001838355932
                   +0 :               0.00000609009448
                   +1 :              -0.00001557364313
                3s
                   +0 :              -0.00033821630636
                4s
                   +0 :               0.00009892638165
                3p
                   -1 :              -0.00016808703104
                   +0 :               0.00004222274925
                   +1 :               0.00014681243209
                4p
                   -1 :               0.00001233972752
                   +0 :              -0.00001551061863
                   +1 :              -0.00005266285842
                3d
                   -2 :               0.00004949670344
                   -1 :               0.00005763354082
                   +0 :              -0.00002200349196
                   +1 :               0.00000148325460
                   +2 :               0.00001907443956
             13 vec=    15.350520      5.868041     -1.580534   |vec|=   16.509708
                2s
                   +0 :              -0.00009454222773
                2p
                   -1 :              -0.00003244171867
                   +0 :              -0.00000554257813
                   +1 :              -0.00001664310528
                3s
                   +0 :               0.00051047134180
                4s
                   +0 :              -0.00008162355273
                3p
                   -1 :               0.00022599515753
                   +0 :              -0.00007492344286
                   +1 :               0.00019196324932
                4p
                   -1 :              -0.00001572679644
                   +0 :              -0.00002616501231
                   +1 :              -0.00002379599778
                3d
                   -2 :               0.00003551991382
                   -1 :              -0.00007268698771
                   +0 :              -0.00000224071508
                   +1 :              -0.00004375028729
                   +2 :               0.00000930201009
             14 vec=   -15.770130      5.868041     -1.580534   |vec|=   16.900562
                2s
                   +0 :              -0.00004405004906
                2p
                   -1 :              -0.00003793539428
                   +0 :               0.00000097425722
                   +1 :              -0.00000521813233
                3s
                   +0 :               0.00022878039794
                4s
                   +0 :              -0.00005830935995
                3p
                   -1 :               0.00024901939127
                   +0 :              -0.00005530823184
                   +1 :               0.00000525381760
                4p
                   -1 :              -0.00004877745745
                   +0 :               0.00000179186523
                   +1 :              -0.00000312464417
                3d
                   -2 :              -0.00003907025508
                   -1 :              -0.00005355568648
                   +0 :              -0.00001073600707
                   +1 :               0.00000702227502
                   +2 :              -0.00004735046244
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al(  5)  npairs=  14
              1 vec=    -2.803193      1.376162     -5.671873   |vec|=    6.474709
                2s
                   +0 :              -0.00138850158879
                2p
                   -1 :               0.00056549314464
                   +0 :               0.00122003297997
                   +1 :               0.00066842051194
                3s
                   +0 :               0.00427230657427
                4s
                   +0 :              -0.00367790084448
                3p
                   -1 :              -0.00261612373346
                   +0 :              -0.00914657176613
                   +1 :              -0.00393524151278
                4p
                   -1 :               0.00010088152654
                   +0 :               0.00375772759341
                   +1 :               0.00149446471810
                3d
                   -2 :              -0.00157756138241
                   -1 :              -0.00232684359867
                   +0 :               0.00195268734753
                   +1 :              -0.00012063824272
                   +2 :              -0.00005822928275
              2 vec=     4.976970     -3.115717     -5.671873   |vec|=    8.163827
                2s
                   +0 :              -0.00055215346238
                2p
                   -1 :              -0.00066294876847
                   +0 :               0.00023540158501
                   +1 :              -0.00042617539173
                3s
                   +0 :              -0.00300327447112
                4s
                   +0 :               0.00068704690981
                3p
                   -1 :               0.00618954781202
                   +0 :              -0.00246648086544
                   +1 :              -0.00006678166373
                4p
                   -1 :              -0.00113012998133
                   +0 :               0.00031041531121
                   +1 :              -0.00049939925271
                3d
                   -2 :               0.00161571281399
                   -1 :              -0.00038247355308
                   +0 :               0.00147914525789
                   +1 :              -0.00131161091937
                   +2 :               0.00028166536608
              3 vec=     4.976970      5.868041     -5.671873   |vec|=    9.558990
                2s
                   +0 :               0.00074426153847
                2p
                   -1 :               0.00070434860351
                   +0 :              -0.00054417128710
                   +1 :              -0.00052467655256
                3s
                   +0 :              -0.00177861063998
                4s
                   +0 :               0.00048102911985
                3p
                   -1 :              -0.00335411360752
                   +0 :               0.00152767359432
                   +1 :               0.00245183796028
                4p
                   -1 :               0.00065164101080
                   +0 :              -0.00029382345613
                   +1 :              -0.00044989565253
                3d
                   -2 :               0.00022504928230
                   -1 :               0.00043265559986
                   +0 :               0.00043724133223
                   +1 :              -0.00035094204184
                   +2 :               0.00033878793831
              4 vec=    -2.803193     -7.607596     -5.671873   |vec|=    9.894622
                2s
                   +0 :              -0.00219662003445
                2p
                   -1 :               0.00016511695939
                   +0 :              -0.00027742948680
                   +1 :               0.00186545848390
                3s
                   +0 :               0.00582868770248
                4s
                   +0 :              -0.00144419302043
                3p
                   -1 :              -0.00002103880091
                   +0 :               0.00285204537339
                   +1 :              -0.00843412517879
                4p
                   -1 :              -0.00015995946691
                   +0 :              -0.00148188738702
                   +1 :               0.00152559253734
                3d
                   -2 :               0.00079821058779
                   -1 :              -0.00065107278240
                   +0 :              -0.00096283350750
                   +1 :               0.00041906660257
                   +2 :               0.00110393928881
              5 vec=    -2.803193     10.359920     -5.671873   |vec|=   12.139027
                2s
                   +0 :               0.00033447273627
                2p
                   -1 :               0.00029377725840
                   +0 :              -0.00015953603923
                   +1 :              -0.00000445130767
                3s
                   +0 :              -0.00088543001912
                4s
                   +0 :               0.00051815384839
                3p
                   -1 :              -0.00137920308863
                   +0 :               0.00036709359687
                   +1 :               0.00026790881272
                4p
                   -1 :               0.00046751930070
                   +0 :              -0.00016163643251
                   +1 :              -0.00007720383770
                3d
                   -2 :               0.00008646611577
                   -1 :               0.00014804021053
                   +0 :               0.00010326052444
                   +1 :               0.00001373641291
                   +2 :               0.00012572647154
              6 vec=   -10.583355     -3.115717     -5.671873   |vec|=   12.405049
                2s
                   +0 :              -0.00015332820705
                2p
                   -1 :               0.00014248590510
                   +0 :               0.00009140441671
                   +1 :               0.00014867687017
                3s
                   +0 :               0.00036338178321
                4s
                   +0 :              -0.00004742880655
                3p
                   -1 :              -0.00042384682083
                   +0 :              -0.00014902902792
                   +1 :              -0.00058981079034
                4p
                   -1 :               0.00009414318205
                   +0 :              -0.00004237638231
                   +1 :               0.00003813822198
                3d
                   -2 :               0.00015693699495
                   -1 :               0.00004718545592
                   +0 :              -0.00001193368599
                   +1 :               0.00021942454138
                   +2 :               0.00029224708184
              7 vec=   -10.583355      5.868041     -5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00009509891078
                2p
                   -1 :              -0.00000946867704
                   +0 :               0.00005280058665
                   +1 :              -0.00002907792588
                3s
                   +0 :              -0.00032855147571
                4s
                   +0 :               0.00013841527135
                3p
                   -1 :              -0.00004257871170
                   +0 :              -0.00015952483857
                   +1 :               0.00019057503550
                4p
                   -1 :               0.00002946957670
                   +0 :               0.00000041789041
                   +1 :              -0.00009904618466
                3d
                   -2 :               0.00001832120297
                   -1 :               0.00006645217310
                   +0 :               0.00004825004715
                   +1 :               0.00009392583714
                   +2 :               0.00009279797884
              8 vec=    12.757133      1.376162     -5.671873   |vec|=   14.028842
                2s
                   +0 :               0.00041854303656
                2p
                   -1 :              -0.00016243348649
                   +0 :              -0.00009536229679
                   +1 :               0.00008964111883
                3s
                   +0 :              -0.00112470856556
                4s
                   +0 :               0.00021582520156
                3p
                   -1 :               0.00075176874402
                   +0 :               0.00040704796752
                   +1 :              -0.00017268874629
                4p
                   -1 :              -0.00018714722513
                   +0 :              -0.00012594181596
                   +1 :              -0.00006745279793
                3d
                   -2 :               0.00013796298096
                   -1 :              -0.00019098186758
                   +0 :               0.00001713555638
                   +1 :               0.00007288968652
                   +2 :               0.00000093105260
              9 vec=     4.976970    -12.099475     -5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00004793607887
                2p
                   -1 :               0.00014557206832
                   +0 :               0.00006921530119
                   +1 :              -0.00000689187309
                3s
                   +0 :               0.00025906514583
                4s
                   +0 :              -0.00016196091438
                3p
                   -1 :              -0.00087728968972
                   +0 :              -0.00021788439623
                   +1 :               0.00002714390529
                4p
                   -1 :               0.00025272171329
                   +0 :               0.00004001955445
                   +1 :              -0.00002378855252
                3d
                   -2 :              -0.00006835076696
                   -1 :               0.00014885734620
                   +0 :              -0.00013923857073
                   +1 :               0.00009580044075
                   +2 :              -0.00004279938792
             10 vec=    12.757133     -7.607596     -5.671873   |vec|=   15.899374
                2s
                   +0 :              -0.00015160683406
                2p
                   -1 :               0.00007105000196
                   +0 :               0.00004888906238
                   +1 :              -0.00009984309270
                3s
                   +0 :               0.00046838527220
                4s
                   +0 :              -0.00011428648499
                3p
                   -1 :              -0.00037289980948
                   +0 :              -0.00016078020472
                   +1 :               0.00053155354316
                4p
                   -1 :               0.00007247230203
                   +0 :               0.00001053050209
                   +1 :              -0.00011007544459
                3d
                   -2 :              -0.00013163956634
                   -1 :               0.00007467445299
                   +0 :              -0.00007941519957
                   +1 :              -0.00004450570775
                   +2 :               0.00008015440470
             11 vec=     4.976970     14.851799     -5.671873   |vec|=   16.658821
                2s
                   +0 :               0.00006818217661
                2p
                   -1 :               0.00002285541097
                   +0 :              -0.00001898682403
                   +1 :               0.00001070393344
                3s
                   +0 :               0.00000393744486
                4s
                   +0 :               0.00002690430127
                3p
                   -1 :               0.00004415407036
                   +0 :               0.00005951280382
                   +1 :              -0.00007790889759
                4p
                   -1 :              -0.00000379209376
                   +0 :              -0.00000023644857
                   +1 :               0.00002254641120
                3d
                   -2 :              -0.00001312973309
                   -1 :               0.00005569685156
                   +0 :              -0.00001985980396
                   +1 :               0.00001176300963
                   +2 :               0.00000583064797
             12 vec=   -10.583355    -12.099475     -5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00014712802493
                2p
                   -1 :               0.00005384451899
                   +0 :               0.00004833263441
                   +1 :               0.00008829276395
                3s
                   +0 :               0.00051963817104
                4s
                   +0 :              -0.00018714164898
                3p
                   -1 :              -0.00033062940149
                   +0 :              -0.00024700310731
                   +1 :              -0.00045559615221
                4p
                   -1 :               0.00010514504083
                   +0 :               0.00005559246204
                   +1 :               0.00009804258495
                3d
                   -2 :               0.00008406164498
                   -1 :               0.00007157903372
                   +0 :               0.00000752735475
                   +1 :               0.00013292895242
                   +2 :               0.00006830214041
             13 vec=    12.757133     10.359920     -5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00002741749388
                2p
                   -1 :              -0.00003506390410
                   +0 :              -0.00002246274430
                   +1 :              -0.00000144378559
                3s
                   +0 :               0.00008711823275
                4s
                   +0 :              -0.00002298286725
                3p
                   -1 :               0.00016644542040
                   +0 :               0.00006068363614
                   +1 :              -0.00002254549303
                4p
                   -1 :              -0.00005167193737
                   +0 :               0.00000489580866
                   +1 :               0.00001695339480
                3d
                   -2 :               0.00001704067296
                   -1 :              -0.00001111166480
                   +0 :               0.00001530283205
                   +1 :               0.00000483895568
                   +2 :              -0.00000234611719
             14 vec=    -2.803193    -16.591354     -5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00001792152640
                2p
                   -1 :              -0.00000033876847
                   +0 :              -0.00001794426331
                   +1 :               0.00001280384015
                3s
                   +0 :              -0.00017450303357
                4s
                   +0 :               0.00006760119314
                3p
                   -1 :               0.00006621216862
                   +0 :               0.00001946155248
                   +1 :               0.00002809281618
                4p
                   -1 :              -0.00001853234924
                   +0 :               0.00003381523882
                   +1 :              -0.00004136383059
                3d
                   -2 :               0.00005692140624
                   -1 :              -0.00000567801181
                   +0 :               0.00000499589014
                   +1 :               0.00005341246028
                   +2 :              -0.00003037111800
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al(  6)  npairs=  14
              1 vec=    -2.803193      1.376162      1.580453   |vec|=    3.499934
                2s
                   +0 :               0.02104397952705
                2p
                   -1 :               0.00281193367516
                   +0 :               0.01263820736528
                   +1 :              -0.01977706261590
                3s
                   +0 :               0.03411390201510
                4s
                   +0 :               0.01134698054611
                3p
                   -1 :              -0.02781442879733
                   +0 :               0.02457888247140
                   +1 :              -0.03807132169108
                4p
                   -1 :               0.00597688261257
                   +0 :               0.00602927670427
                   +1 :              -0.01019260053451
                3d
                   -2 :               0.00730649489121
                   -1 :              -0.00320680016423
                   +0 :               0.00377838328968
                   +1 :              -0.02964857452048
                   +2 :               0.03250963619788
              2 vec=     4.976970     -3.115717      1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00128502403315
                2p
                   -1 :               0.00043951273713
                   +0 :               0.00146036822479
                   +1 :               0.00045344565917
                3s
                   +0 :               0.00233644883681
                4s
                   +0 :               0.00134429691650
                3p
                   -1 :              -0.00348000881207
                   +0 :              -0.00854252527060
                   +1 :              -0.00228386498762
                4p
                   -1 :               0.00178439023268
                   +0 :               0.00300385407510
                   +1 :               0.00118735291711
                3d
                   -2 :               0.00400656581311
                   -1 :               0.00113936860385
                   +0 :               0.00173129378038
                   +1 :              -0.00220773019330
                   +2 :              -0.00076146196848
              3 vec=     4.976970      5.868041      1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00014148699945
                2p
                   -1 :              -0.00031728256667
                   +0 :              -0.00053362368102
                   +1 :              -0.00025273151504
                3s
                   +0 :               0.01415488355687
                4s
                   +0 :              -0.00019301110885
                3p
                   -1 :               0.00211500988193
                   +0 :               0.01209378826275
                   +1 :               0.00897407913845
                4p
                   -1 :              -0.00018077147397
                   +0 :              -0.00086933312932
                   +1 :               0.00021627357114
                3d
                   -2 :               0.00089042509346
                   -1 :               0.00220701878888
                   +0 :               0.00092288077860
                   +1 :               0.00451920320558
                   +2 :               0.00291330890568
              4 vec=    -2.803193     -7.607596      1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00043616372200
                2p
                   -1 :               0.00056425842426
                   +0 :               0.00055236301978
                   +1 :               0.00134673345713
                3s
                   +0 :              -0.00718739410346
                4s
                   +0 :               0.00108778354357
                3p
                   -1 :              -0.00077532897534
                   +0 :              -0.00804761455362
                   +1 :              -0.01177953666737
                4p
                   -1 :               0.00032393984179
                   +0 :               0.00133693150153
                   +1 :               0.00198875977693
                3d
                   -2 :               0.00406852610780
                   -1 :               0.00237521562330
                   +0 :              -0.00133687465769
                   +1 :              -0.00307087664472
                   +2 :              -0.00131068006620
              5 vec=    -2.803193     10.359920      1.580453   |vec|=   10.848210
                2s
                   +0 :              -0.00044397004962
                2p
                   -1 :              -0.00015885580346
                   +0 :               0.00007493840149
                   +1 :               0.00042891400195
                3s
                   +0 :               0.00275398436291
                4s
                   +0 :              -0.00040850159536
                3p
                   -1 :               0.00111488338251
                   +0 :               0.00033315451674
                   +1 :              -0.00245308404925
                4p
                   -1 :              -0.00015381659999
                   +0 :              -0.00001647903380
                   +1 :               0.00046303478556
                3d
                   -2 :              -0.00074323029181
                   -1 :               0.00023748182890
                   +0 :              -0.00007337569593
                   +1 :              -0.00020463704368
                   +2 :               0.00012456178571
              6 vec=   -10.583355     -3.115717      1.580453   |vec|=   11.145086
                2s
                   +0 :               0.00054771316684
                2p
                   -1 :              -0.00010827691050
                   +0 :              -0.00015581893618
                   +1 :              -0.00011867673228
                3s
                   +0 :              -0.00337576547935
                4s
                   +0 :               0.00046862524115
                3p
                   -1 :               0.00010856221563
                   +0 :              -0.00001531255030
                   +1 :               0.00179198718468
                4p
                   -1 :              -0.00016157269294
                   +0 :              -0.00010648893364
                   +1 :              -0.00008330636474
                3d
                   -2 :               0.00013332976110
                   -1 :              -0.00049471813667
                   +0 :              -0.00016330916876
                   +1 :               0.00014033176572
                   +2 :              -0.00049437611928
              7 vec=   -10.583355      5.868041      1.580453   |vec|=   12.204063
                2s
                   +0 :               0.00017718268647
                2p
                   -1 :               0.00023941328729
                   +0 :               0.00011987616550
                   +1 :              -0.00000493447003
                3s
                   +0 :               0.00003003240554
                4s
                   +0 :               0.00014471759793
                3p
                   -1 :              -0.00068456209910
                   +0 :              -0.00022047491206
                   +1 :              -0.00028760583647
                4p
                   -1 :               0.00032705488145
                   +0 :               0.00010308606840
                   +1 :               0.00010076480254
                3d
                   -2 :              -0.00009329366770
                   -1 :               0.00007441606081
                   +0 :               0.00004697563303
                   +1 :               0.00007866552533
                   +2 :              -0.00012819971806
              8 vec=    12.757133      1.376162      1.580453   |vec|=   12.928112
                2s
                   +0 :              -0.00007632227387
                2p
                   -1 :              -0.00005701327825
                   +0 :              -0.00007881928241
                   +1 :               0.00008336324390
                3s
                   +0 :               0.00026327931864
                4s
                   +0 :              -0.00005160402615
                3p
                   -1 :               0.00026505871158
                   +0 :               0.00047229246204
                   +1 :              -0.00041810568810
                4p
                   -1 :              -0.00002573044358
                   +0 :              -0.00012304947170
                   +1 :               0.00013600331687
                3d
                   -2 :              -0.00003993403818
                   -1 :               0.00007317476759
                   +0 :              -0.00000550647655
                   +1 :               0.00009399109229
                   +2 :              -0.00006577931704
              9 vec=     4.976970    -12.099475      1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00015987790508
                2p
                   -1 :               0.00007494649271
                   +0 :               0.00010782290646
                   +1 :               0.00014179906445
                3s
                   +0 :              -0.00284149922656
                4s
                   +0 :               0.00016209436370
                3p
                   -1 :               0.00138128737017
                   +0 :              -0.00241812909850
                   +1 :              -0.00013023017120
                4p
                   -1 :               0.00011268342427
                   +0 :               0.00035265736826
                   +1 :               0.00008570149131
                3d
                   -2 :              -0.00017664943249
                   -1 :               0.00100994881875
                   +0 :              -0.00024153352316
                   +1 :              -0.00001862532663
                   +2 :               0.00036891097879
             10 vec=    12.757133     -7.607596      1.580453   |vec|=   14.937128
                2s
                   +0 :               0.00008108294879
                2p
                   -1 :              -0.00000386389412
                   +0 :              -0.00001853946154
                   +1 :              -0.00002965568719
                3s
                   +0 :              -0.00033640975130
                4s
                   +0 :              -0.00001775948473
                3p
                   -1 :              -0.00008374669509
                   +0 :               0.00001530126819
                   +1 :               0.00017513247879
                4p
                   -1 :               0.00000504655485
                   +0 :              -0.00003376093985
                   +1 :              -0.00010777661215
                3d
                   -2 :              -0.00001567985842
                   -1 :              -0.00009993944969
                   +0 :              -0.00001859635863
                   +1 :              -0.00000096719374
                   +2 :               0.00007566854914
             11 vec=     4.976970     14.851799      1.580453   |vec|=   15.743062
                2s
                   +0 :              -0.00016162676298
                2p
                   -1 :              -0.00006789077060
                   +0 :              -0.00001456393095
                   +1 :              -0.00001092804063
                3s
                   +0 :               0.00065492709458
                4s
                   +0 :              -0.00022418272042
                3p
                   -1 :               0.00046453682428
                   +0 :               0.00011301129094
                   +1 :               0.00003139010327
                4p
                   -1 :              -0.00011968337712
                   +0 :              -0.00004107423634
                   +1 :               0.00000230309089
                3d
                   -2 :              -0.00001134712831
                   -1 :               0.00003274931001
                   +0 :              -0.00005251013223
                   +1 :              -0.00000101221556
                   +2 :              -0.00012793008256
             12 vec=   -10.583355    -12.099475      1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00004920805509
                2p
                   -1 :              -0.00000317409162
                   +0 :              -0.00002278452060
                   +1 :               0.00001537996664
                3s
                   +0 :              -0.00009138300463
                4s
                   +0 :              -0.00008728096007
                3p
                   -1 :              -0.00011594596645
                   +0 :               0.00015926541987
                   +1 :              -0.00019282906719
                4p
                   -1 :               0.00006970895739
                   +0 :              -0.00005066027376
                   +1 :               0.00014792073632
                3d
                   -2 :              -0.00001658684045
                   -1 :               0.00000183887190
                   +0 :               0.00002148606440
                   +1 :              -0.00000361930522
                   +2 :               0.00003338682305
             13 vec=    12.757133     10.359920      1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00001296227910
                2p
                   -1 :              -0.00000386919765
                   +0 :              -0.00002820909119
                   +1 :               0.00000026358990
                3s
                   +0 :              -0.00003295481220
                4s
                   +0 :               0.00002303117788
                3p
                   -1 :              -0.00005889189002
                   +0 :               0.00011175080607
                   +1 :              -0.00010872410145
                4p
                   -1 :               0.00001718501680
                   +0 :              -0.00003766414761
                   +1 :               0.00001285060654
                3d
                   -2 :              -0.00001604506051
                   -1 :               0.00000835989613
                   +0 :               0.00000442147455
                   +1 :               0.00000454706256
                   +2 :              -0.00002085835871
             14 vec=    -2.803193    -16.591354      1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00000062017217
                2p
                   -1 :               0.00000914601726
                   +0 :              -0.00003003068905
                   +1 :              -0.00000723019208
                3s
                   +0 :              -0.00029104401243
                4s
                   +0 :               0.00012339721632
                3p
                   -1 :               0.00015647720691
                   +0 :               0.00000684670398
                   +1 :               0.00003824559896
                4p
                   -1 :              -0.00007272690535
                   +0 :              -0.00001491111905
                   +1 :               0.00001099837996
                3d
                   -2 :               0.00002475852745
                   -1 :               0.00002095802724
                   +0 :              -0.00000114199060
                   +1 :              -0.00001455999615
                   +2 :              -0.00001070489970
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al(  7)  npairs=  15
              1 vec=    -2.803193      1.376162    -10.693319   |vec|=   11.139963
                2s
                   +0 :               0.00055129292148
                2p
                   -1 :               0.00002171809991
                   +0 :              -0.00013635070812
                   +1 :               0.00027541223047
                3s
                   +0 :              -0.00182253756666
                4s
                   +0 :               0.00036007731919
                3p
                   -1 :              -0.00085836508347
                   +0 :               0.00052260851474
                   +1 :              -0.00090424993607
                4p
                   -1 :              -0.00001386014424
                   +0 :               0.00003026754587
                   +1 :               0.00027607577403
                3d
                   -2 :               0.00000888454643
                   -1 :               0.00023070118292
                   +0 :               0.00032154613071
                   +1 :              -0.00001530456960
                   +2 :              -0.00031728812102
              2 vec=     4.976970     -3.115717    -10.693319   |vec|=   12.199385
                2s
                   +0 :               0.00035968460913
                2p
                   -1 :              -0.00034488807664
                   +0 :              -0.00010191998281
                   +1 :              -0.00003755138975
                3s
                   +0 :              -0.00125475609265
                4s
                   +0 :               0.00018759298848
                3p
                   -1 :               0.00174071956502
                   +0 :               0.00033115024737
                   +1 :               0.00029157331611
                4p
                   -1 :              -0.00031192378713
                   +0 :              -0.00003502189687
                   +1 :              -0.00008676487441
                3d
                   -2 :              -0.00002754863439
                   -1 :              -0.00036932920392
                   +0 :               0.00026725396658
                   +1 :              -0.00016006736713
                   +2 :               0.00017661033786
              3 vec=     4.976970      5.868041    -10.693319   |vec|=   13.173883
                2s
                   +0 :              -0.00009588690364
                2p
                   -1 :               0.00005210266019
                   +0 :              -0.00002463610344
                   +1 :               0.00010762408630
                3s
                   +0 :               0.00160047707255
                4s
                   +0 :              -0.00016968982415
                3p
                   -1 :               0.00038497516373
                   +0 :              -0.00083546868628
                   +1 :               0.00023790038384
                4p
                   -1 :              -0.00002005346188
                   +0 :              -0.00000468952653
                   +1 :               0.00011767172651
                3d
                   -2 :               0.00013324508785
                   -1 :              -0.00018201656386
                   +0 :               0.00004750617520
                   +1 :              -0.00016844989424
                   +2 :               0.00003421217749
              4 vec=    -2.803193     -7.607596    -10.693319   |vec|=   13.419406
                2s
                   +0 :              -0.00016747298178
                2p
                   -1 :              -0.00014106650230
                   +0 :               0.00006725327560
                   +1 :               0.00009469097457
                3s
                   +0 :              -0.00035411678448
                4s
                   +0 :               0.00014930893982
                3p
                   -1 :               0.00103724882078
                   +0 :               0.00043299057941
                   +1 :              -0.00030945225675
                4p
                   -1 :              -0.00017515683098
                   +0 :              -0.00019488724987
                   +1 :              -0.00003258074634
                3d
                   -2 :              -0.00000873823267
                   -1 :              -0.00025453564604
                   +0 :              -0.00028065669749
                   +1 :               0.00023625502311
                   +2 :               0.00010652226313
              5 vec=    -2.803193      1.376162     13.854224   |vec|=   14.201804
                2s
                   +0 :               0.00006739129482
                2p
                   -1 :               0.00006474143364
                   +0 :              -0.00005064825082
                   +1 :              -0.00003814789600
                3s
                   +0 :              -0.00002338712896
                4s
                   +0 :              -0.00004608642515
                3p
                   -1 :              -0.00036041758109
                   +0 :               0.00038053252512
                   +1 :               0.00016685407031
                4p
                   -1 :               0.00007360815197
                   +0 :              -0.00015067611822
                   +1 :              -0.00003232963608
                3d
                   -2 :              -0.00004996740588
                   -1 :              -0.00000299449358
                   +0 :               0.00006293336202
                   +1 :               0.00002851164629
                   +2 :               0.00007838545770
              6 vec=     4.976970     -3.115717     13.854224   |vec|=   15.047174
                2s
                   +0 :               0.00007019486290
                2p
                   -1 :               0.00002622604705
                   +0 :              -0.00002419023661
                   +1 :               0.00005820774135
                3s
                   +0 :              -0.00014294769947
                4s
                   +0 :               0.00000000850038
                3p
                   -1 :              -0.00014378410471
                   +0 :               0.00021940841430
                   +1 :              -0.00018861215313
                4p
                   -1 :               0.00001094003994
                   +0 :              -0.00010324129080
                   +1 :               0.00002635978283
                3d
                   -2 :               0.00003553499115
                   -1 :              -0.00005534874215
                   +0 :               0.00004838287227
                   +1 :              -0.00002759649110
                   +2 :              -0.00002885824886
              7 vec=    -2.803193     10.359920    -10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00000422871308
                2p
                   -1 :              -0.00001156300810
                   +0 :              -0.00004184746796
                   +1 :              -0.00005800517131
                3s
                   +0 :               0.00016256136174
                4s
                   +0 :               0.00001484612158
                3p
                   -1 :               0.00005635657836
                   +0 :               0.00012759135026
                   +1 :               0.00009275736190
                4p
                   -1 :              -0.00000518525058
                   +0 :              -0.00004685227098
                   +1 :              -0.00004653996428
                3d
                   -2 :              -0.00004068631678
                   -1 :               0.00003229907311
                   +0 :              -0.00000671799758
                   +1 :               0.00001421828679
                   +2 :               0.00002943921626
              8 vec=   -10.583355     -3.115717    -10.693319   |vec|=   15.364315
                2s
                   +0 :              -0.00011494025908
                2p
                   -1 :               0.00000302049030
                   +0 :               0.00005091564984
                   +1 :               0.00001542212669
                3s
                   +0 :               0.00016048948930
                4s
                   +0 :              -0.00001819009479
                3p
                   -1 :              -0.00007613369644
                   +0 :              -0.00018661103232
                   +1 :               0.00017751593493
                4p
                   -1 :              -0.00000490668216
                   +0 :               0.00005006227991
                   +1 :              -0.00010463088484
                3d
                   -2 :              -0.00000228855513
                   -1 :               0.00004046187898
                   +0 :               0.00001355100409
                   +1 :              -0.00002008632288
                   +2 :              -0.00005449496076
              9 vec=     4.976970      5.868041     13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00002025859553
                2p
                   -1 :               0.00001193606647
                   +0 :              -0.00004501927602
                   +1 :               0.00000003907140
                3s
                   +0 :              -0.00017508955017
                4s
                   +0 :              -0.00003645541748
                3p
                   -1 :              -0.00004859222235
                   +0 :               0.00027165915502
                   +1 :              -0.00010090724194
                4p
                   -1 :              -0.00000739947190
                   +0 :              -0.00010677081068
                   +1 :              -0.00000295212158
                3d
                   -2 :              -0.00001261762318
                   -1 :               0.00002466707389
                   +0 :               0.00009288261979
                   +1 :               0.00000887871972
                   +2 :               0.00005846141682
             10 vec=    -2.803193     -7.607596     13.854224   |vec|=   16.052194
                2s
                   +0 :               0.00000714863886
                2p
                   -1 :               0.00002047231361
                   +0 :              -0.00003152405275
                   +1 :               0.00002343225758
                3s
                   +0 :              -0.00018116950125
                4s
                   +0 :              -0.00002235906625
                3p
                   -1 :              -0.00006375918920
                   +0 :               0.00011504192937
                   +1 :               0.00003127573064
                4p
                   -1 :               0.00004746953993
                   +0 :              -0.00004888493260
                   +1 :               0.00003181995704
                3d
                   -2 :              -0.00008895103829
                   -1 :               0.00002478402669
                   +0 :               0.00003779838132
                   +1 :              -0.00000535392088
                   +2 :              -0.00005788141490
             11 vec=   -10.583355      5.868041    -10.693319   |vec|=   16.148943
                2s
                   +0 :               0.00018990588413
                2p
                   -1 :               0.00003794601349
                   +0 :              -0.00009900929271
                   +1 :              -0.00007181435201
                3s
                   +0 :              -0.00064221099127
                4s
                   +0 :               0.00023243331667
                3p
                   -1 :              -0.00014525071620
                   +0 :               0.00048490018663
                   +1 :               0.00032047180992
                4p
                   -1 :               0.00003717351127
                   +0 :              -0.00014743636602
                   +1 :              -0.00006031803216
                3d
                   -2 :              -0.00000608125627
                   -1 :               0.00005875535756
                   +0 :              -0.00006039125034
                   +1 :              -0.00009064332252
                   +2 :              -0.00002310443111
             12 vec=    12.757133      1.376162    -10.693319   |vec|=   16.702854
                2s
                   +0 :               0.00005195477826
                2p
                   -1 :              -0.00001301850281
                   +0 :              -0.00004846529679
                   +1 :               0.00003229468696
                3s
                   +0 :              -0.00025442619622
                4s
                   +0 :               0.00009482037825
                3p
                   -1 :               0.00007415938060
                   +0 :               0.00029422260765
                   +1 :              -0.00017662391284
                4p
                   -1 :              -0.00002536709576
                   +0 :              -0.00007780523339
                   +1 :               0.00004961327941
                3d
                   -2 :               0.00005010748822
                   -1 :              -0.00002486154235
                   +0 :              -0.00007369105136
                   +1 :               0.00006149067617
                   +2 :              -0.00004163985246
             13 vec=     4.976970    -12.099475    -10.693319   |vec|=   16.897177
                2s
                   +0 :               0.00012259654458
                2p
                   -1 :              -0.00003290092803
                   +0 :              -0.00004045696473
                   +1 :              -0.00003938151307
                3s
                   +0 :              -0.00048697415242
                4s
                   +0 :               0.00009234526772
                3p
                   -1 :               0.00012889052560
                   +0 :               0.00026436366890
                   +1 :               0.00028457682407
                4p
                   -1 :               0.00001685240265
                   +0 :              -0.00003928576121
                   +1 :              -0.00011260197470
                3d
                   -2 :              -0.00004898346061
                   -1 :              -0.00001806102320
                   +0 :              -0.00006996546827
                   +1 :              -0.00000724697675
                   +2 :               0.00002502076290
             14 vec=    -2.803193     10.359920     13.854224   |vec|=   17.524992
                2s
                   +0 :              -0.00000432635662
                2p
                   -1 :              -0.00000589806515
                   +0 :               0.00000505046821
                   +1 :              -0.00002015054825
                3s
                   +0 :               0.00011223511251
                4s
                   +0 :               0.00002238259493
                3p
                   -1 :               0.00015678082626
                   +0 :              -0.00002474293495
                   +1 :               0.00014593400667
                4p
                   -1 :               0.00000311189098
                   +0 :               0.00000372812688
                   +1 :              -0.00003138404512
                3d
                   -2 :               0.00003380033122
                   -1 :               0.00000193898730
                   +0 :              -0.00003933063194
                   +1 :               0.00002809104145
                   +2 :              -0.00004353925393
             15 vec=   -10.583355     -3.115717     13.854224   |vec|=   17.710297
                2s
                   +0 :               0.00000613591495
                2p
                   -1 :              -0.00000198545374
                   +0 :              -0.00001520122411
                   +1 :              -0.00002808365668
                3s
                   +0 :              -0.00005707422310
                4s
                   +0 :               0.00000540192981
                3p
                   -1 :               0.00003667858616
                   +0 :               0.00007622283350
                   +1 :               0.00017900242202
                4p
                   -1 :              -0.00000561871368
                   +0 :              -0.00001633670748
                   +1 :              -0.00001581188660
                3d
                   -2 :              -0.00001937330253
                   -1 :              -0.00002270074486
                   +0 :               0.00002568592406
                   +1 :              -0.00000042594122
                   +2 :              -0.00003303656562
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al(  8)  npairs=  13
              1 vec=    -2.803193      1.376162      6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00209234947216
                2p
                   -1 :               0.00072705247713
                   +0 :               0.00046046783723
                   +1 :              -0.00024323588530
                3s
                   +0 :              -0.00631485800974
                4s
                   +0 :               0.00212363752809
                3p
                   -1 :              -0.00729576128945
                   +0 :              -0.00424941443688
                   +1 :              -0.00296650839893
                4p
                   -1 :               0.00038809510864
                   +0 :               0.00060057552925
                   +1 :               0.00070720097543
                3d
                   -2 :               0.00047772465267
                   -1 :              -0.00226155678418
                   +0 :              -0.00063461280818
                   +1 :               0.00010322503720
                   +2 :               0.00169402319498
              2 vec=     4.976970     -3.115717      6.601898   |vec|=    8.835326
                2s
                   +0 :               0.00145990135785
                2p
                   -1 :              -0.00091540081123
                   +0 :               0.00039133608904
                   +1 :               0.00006206085728
                3s
                   +0 :              -0.01313210819939
                4s
                   +0 :               0.00327386368931
                3p
                   -1 :               0.00786230314102
                   +0 :              -0.00735088480971
                   +1 :              -0.00457211770852
                4p
                   -1 :              -0.00188070240684
                   +0 :               0.00129005443473
                   +1 :               0.00030902574045
                3d
                   -2 :               0.00225251614121
                   -1 :               0.00154751912050
                   +0 :              -0.00053461413278
                   +1 :              -0.00166912535826
                   +2 :               0.00011987450627
              3 vec=     4.976970      5.868041      6.601898   |vec|=   10.138500
                2s
                   +0 :               0.00055429909054
                2p
                   -1 :               0.00005732287713
                   +0 :               0.00038391972297
                   +1 :              -0.00007128877042
                3s
                   +0 :              -0.00074316940365
                4s
                   +0 :               0.00015180404446
                3p
                   -1 :              -0.00020653989478
                   +0 :              -0.00200899600667
                   +1 :               0.00131652517785
                4p
                   -1 :              -0.00022796168638
                   +0 :               0.00036537886341
                   +1 :              -0.00020857477321
                3d
                   -2 :               0.00009597574053
                   -1 :              -0.00040260004788
                   +0 :              -0.00015927754648
                   +1 :               0.00011424215124
                   +2 :               0.00008397995496
              4 vec=    -2.803193     -7.607596      6.601898   |vec|=   10.455547
                2s
                   +0 :               0.00176589761662
                2p
                   -1 :              -0.00044433069459
                   +0 :               0.00058128990316
                   +1 :              -0.00065957669087
                3s
                   +0 :              -0.00706193921674
                4s
                   +0 :               0.00233953371357
                3p
                   -1 :               0.00244956143846
                   +0 :              -0.00381009329374
                   +1 :               0.00302235138386
                4p
                   -1 :              -0.00046827633408
                   +0 :               0.00108841658562
                   +1 :              -0.00073473260775
                3d
                   -2 :              -0.00062442722091
                   -1 :               0.00041159388488
                   +0 :              -0.00041768989346
                   +1 :               0.00048846808278
                   +2 :              -0.00018528871076
              5 vec=    -2.803193     10.359920      6.601898   |vec|=   12.600432
                2s
                   +0 :               0.00032423623031
                2p
                   -1 :               0.00032506530071
                   +0 :               0.00012078449167
                   +1 :              -0.00003460994598
                3s
                   +0 :              -0.00033095873676
                4s
                   +0 :               0.00033741187386
                3p
                   -1 :              -0.00132916954150
                   +0 :              -0.00034995985925
                   +1 :               0.00024782953056
                4p
                   -1 :               0.00038051304429
                   +0 :               0.00015383565511
                   +1 :              -0.00004039269872
                3d
                   -2 :               0.00014676018884
                   -1 :              -0.00012904748793
                   +0 :               0.00014045121536
                   +1 :               0.00013658620260
                   +2 :               0.00008595874882
              6 vec=   -10.583355     -3.115717      6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00018381239026
                2p
                   -1 :               0.00002076617624
                   +0 :               0.00009973205319
                   +1 :              -0.00003649260930
                3s
                   +0 :              -0.00047098743656
                4s
                   +0 :               0.00007227643023
                3p
                   -1 :              -0.00021728823943
                   +0 :              -0.00042677159319
                   +1 :              -0.00002896645314
                4p
                   -1 :               0.00010987461791
                   +0 :               0.00008260279590
                   +1 :               0.00005999733737
                3d
                   -2 :               0.00012244748093
                   -1 :               0.00007381507331
                   +0 :              -0.00023346111240
                   +1 :               0.00018519209123
                   +2 :              -0.00002269118127
              7 vec=   -10.583355      5.868041      6.601898   |vec|=   13.785005
                2s
                   +0 :              -0.00003968647691
                2p
                   -1 :               0.00009606188618
                   +0 :              -0.00004589624447
                   +1 :               0.00011132258045
                3s
                   +0 :               0.00016015556597
                4s
                   +0 :              -0.00005207158974
                3p
                   -1 :              -0.00043553293428
                   +0 :               0.00024130748846
                   +1 :              -0.00051849974182
                4p
                   -1 :               0.00011500320966
                   +0 :              -0.00009234076042
                   +1 :               0.00017405400751
                3d
                   -2 :               0.00000265126085
                   -1 :              -0.00011718692379
                   +0 :              -0.00001264644247
                   +1 :              -0.00006242843472
                   +2 :              -0.00005136107548
              8 vec=    12.757133      1.376162      6.601898   |vec|=   14.429945
                2s
                   +0 :              -0.00001363712032
                2p
                   -1 :              -0.00004448673218
                   +0 :              -0.00000984875611
                   +1 :              -0.00000427745676
                3s
                   +0 :              -0.00001266917932
                4s
                   +0 :               0.00012356261714
                3p
                   -1 :               0.00012597579400
                   +0 :               0.00009788011951
                   +1 :              -0.00009332749254
                4p
                   -1 :              -0.00005053924826
                   +0 :              -0.00000460616863
                   +1 :               0.00013387953840
                3d
                   -2 :              -0.00001079888084
                   -1 :               0.00003828920437
                   +0 :               0.00000233658077
                   +1 :              -0.00005909925916
                   +2 :               0.00008099849834
              9 vec=     4.976970    -12.099475      6.601898   |vec|=   14.654439
                2s
                   +0 :              -0.00006256838598
                2p
                   -1 :              -0.00004248631548
                   +0 :              -0.00004446683843
                   +1 :              -0.00008506396324
                3s
                   +0 :               0.00009479385704
                4s
                   +0 :               0.00001398313779
                3p
                   -1 :               0.00023313987455
                   +0 :               0.00007363662158
                   +1 :               0.00046751613197
                4p
                   -1 :              -0.00006556206548
                   +0 :               0.00004899489495
                   +1 :              -0.00008162035190
                3d
                   -2 :              -0.00003441758701
                   -1 :              -0.00002970025482
                   +0 :              -0.00005284007011
                   +1 :               0.00006689334592
                   +2 :               0.00017377763809
             10 vec=    12.757133     -7.607596      6.601898   |vec|=   16.254384
                2s
                   +0 :               0.00008484851742
                2p
                   -1 :              -0.00002621868031
                   +0 :               0.00002201613211
                   +1 :               0.00002612158499
                3s
                   +0 :              -0.00032252332868
                4s
                   +0 :               0.00010605926695
                3p
                   -1 :               0.00013723688073
                   +0 :              -0.00012577327283
                   +1 :              -0.00013918096632
                4p
                   -1 :              -0.00002954787912
                   +0 :               0.00003947789965
                   +1 :               0.00005068267088
                3d
                   -2 :               0.00003814447672
                   -1 :               0.00002858087835
                   +0 :              -0.00001027653923
                   +1 :               0.00000516173411
                   +2 :               0.00004313283265
             11 vec=     4.976970     14.851799      6.601898   |vec|=   16.997977
                2s
                   +0 :              -0.00011747398898
                2p
                   -1 :              -0.00002973359957
                   +0 :              -0.00003412900104
                   +1 :               0.00000307044842
                3s
                   +0 :               0.00068444380418
                4s
                   +0 :              -0.00013422787313
                3p
                   -1 :               0.00026307586327
                   +0 :               0.00030066170091
                   +1 :              -0.00000598296607
                4p
                   -1 :              -0.00001567885486
                   +0 :              -0.00004307676881
                   +1 :              -0.00000829819644
                3d
                   -2 :              -0.00000145482652
                   -1 :               0.00007856021970
                   +0 :               0.00004596707110
                   +1 :              -0.00000320774951
                   +2 :              -0.00003680015893
             12 vec=   -10.583355    -12.099475      6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00005698729396
                2p
                   -1 :               0.00004575093663
                   +0 :              -0.00002185592066
                   +1 :               0.00002480457500
                3s
                   +0 :               0.00001661196659
                4s
                   +0 :              -0.00004413088878
                3p
                   -1 :              -0.00019357966651
                   +0 :               0.00003273864017
                   +1 :              -0.00002399536044
                4p
                   -1 :               0.00004751687438
                   +0 :              -0.00002308310637
                   +1 :               0.00000087296993
                3d
                   -2 :               0.00000940267624
                   -1 :              -0.00005426730442
                   +0 :               0.00001022319054
                   +1 :              -0.00001288966279
                   +2 :              -0.00003382122260
             13 vec=    12.757133     10.359920      6.601898   |vec|=   17.710376
                2s
                   +0 :              -0.00004616351686
                2p
                   -1 :               0.00001091135163
                   +0 :              -0.00001352476986
                   +1 :              -0.00002579398320
                3s
                   +0 :               0.00025610178049
                4s
                   +0 :              -0.00008565267635
                3p
                   -1 :              -0.00002633839394
                   +0 :               0.00007381136946
                   +1 :               0.00014636158629
                4p
                   -1 :               0.00000403941781
                   +0 :              -0.00002184210371
                   +1 :              -0.00003669854503
                3d
                   -2 :               0.00000574029530
                   -1 :              -0.00001177051730
                   +0 :               0.00001414370388
                   +1 :               0.00001717707832
                   +2 :               0.00000035403122
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al(  9)  npairs=  14
              1 vec=     2.383582      1.376162      2.510804   |vec|=    3.725510
                2s
                   +0 :               0.00890143147539
                2p
                   -1 :               0.00358252528798
                   +0 :               0.01001594007537
                   +1 :               0.00952024096515
                3s
                   +0 :               0.02831012384506
                4s
                   +0 :               0.00206117535476
                3p
                   -1 :              -0.01925905354164
                   +0 :               0.03095504751966
                   +1 :               0.02575670639896
                4p
                   -1 :               0.00523764122088
                   +0 :               0.00259683922953
                   +1 :               0.00188559124903
                3d
                   -2 :              -0.00549986306643
                   -1 :              -0.00406359185714
                   +0 :               0.01276122427181
                   +1 :               0.02502506958601
                   +2 :               0.01926923887408
              2 vec=    -5.396580     -3.115717      2.510804   |vec|=    6.718252
                2s
                   +0 :              -0.00209867346280
                2p
                   -1 :               0.00059757095648
                   +0 :              -0.00038187774050
                   +1 :               0.00072239594560
                3s
                   +0 :               0.01416720640056
                4s
                   +0 :              -0.00436113013618
                3p
                   -1 :              -0.00476204410339
                   +0 :               0.00724988665115
                   +1 :              -0.00869156788713
                4p
                   -1 :               0.00109390020096
                   +0 :              -0.00189040644253
                   +1 :               0.00127187930824
                3d
                   -2 :              -0.00026508388066
                   -1 :              -0.00216439940648
                   +0 :               0.00036434045147
                   +1 :              -0.00017543465976
                   +2 :               0.00217449887132
              3 vec=    -5.396580      5.868041      2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00075617436224
                2p
                   -1 :              -0.00014977497489
                   +0 :              -0.00055165882785
                   +1 :               0.00054042884366
                3s
                   +0 :               0.00736144862948
                4s
                   +0 :              -0.00125639962899
                3p
                   -1 :              -0.00056931747116
                   +0 :               0.00782899632032
                   +1 :              -0.00493802053316
                4p
                   -1 :               0.00015761091328
                   +0 :              -0.00103113462576
                   +1 :               0.00089933578399
                3d
                   -2 :               0.00077633513064
                   -1 :               0.00003427519040
                   +0 :               0.00130775326992
                   +1 :              -0.00212716474623
                   +2 :               0.00120317455709
              4 vec=     2.383582     -7.607596      2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00113500501794
                2p
                   -1 :               0.00116817124736
                   +0 :               0.00028088528037
                   +1 :              -0.00073214181668
                3s
                   +0 :              -0.00064793408661
                4s
                   +0 :              -0.00073409006395
                3p
                   -1 :              -0.00550140546335
                   +0 :              -0.00585644248816
                   +1 :               0.00469597257188
                4p
                   -1 :               0.00189586003453
                   +0 :               0.00026462916477
                   +1 :               0.00001397659041
                3d
                   -2 :              -0.00263665946839
                   -1 :               0.00158085345908
                   +0 :              -0.00344030590379
                   +1 :               0.00140332921901
                   +2 :              -0.00110291559721
              5 vec=     2.383582     10.359920      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00001042750057
                2p
                   -1 :              -0.00006200949794
                   +0 :              -0.00001947535612
                   +1 :              -0.00016393226816
                3s
                   +0 :               0.00052816314131
                4s
                   +0 :               0.00000686721339
                3p
                   -1 :               0.00060371280122
                   +0 :               0.00009624088844
                   +1 :               0.00036048693145
                4p
                   -1 :              -0.00020518163457
                   +0 :              -0.00002456068233
                   +1 :              -0.00006908526957
                3d
                   -2 :               0.00021048531282
                   -1 :               0.00029665880253
                   +0 :              -0.00018543689662
                   +1 :              -0.00020825028545
                   +2 :              -0.00003589235702
              6 vec=    10.163745     -3.115717      2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00027729759517
                2p
                   -1 :               0.00003972558321
                   +0 :              -0.00015956999207
                   +1 :              -0.00034701977643
                3s
                   +0 :              -0.00029240476346
                4s
                   +0 :              -0.00009953700054
                3p
                   -1 :               0.00022654395144
                   +0 :               0.00088759753590
                   +1 :               0.00074450898134
                4p
                   -1 :              -0.00000583562908
                   +0 :              -0.00036249450873
                   +1 :              -0.00021986469737
                3d
                   -2 :              -0.00006030945441
                   -1 :              -0.00011040145703
                   +0 :              -0.00026406245099
                   +1 :              -0.00005217879249
                   +2 :               0.00009480941400
              7 vec=    10.163745      5.868041      2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00011559553318
                2p
                   -1 :               0.00014863299686
                   +0 :               0.00017790849918
                   +1 :               0.00000951978259
                3s
                   +0 :              -0.00011202668364
                4s
                   +0 :               0.00027001596698
                3p
                   -1 :              -0.00042044123952
                   +0 :              -0.00042990564376
                   +1 :              -0.00012005166982
                4p
                   -1 :               0.00022580576955
                   +0 :               0.00014672540554
                   +1 :               0.00011434018050
                3d
                   -2 :               0.00005171354570
                   -1 :               0.00016473960050
                   +0 :               0.00004225718324
                   +1 :              -0.00007281112596
                   +2 :              -0.00009391212329
              8 vec=   -13.176743      1.376162      2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00003908166368
                2p
                   -1 :               0.00007354789210
                   +0 :               0.00003611790714
                   +1 :               0.00006772712024
                3s
                   +0 :               0.00022757175829
                4s
                   +0 :              -0.00016722329450
                3p
                   -1 :              -0.00044553672942
                   +0 :              -0.00014401625214
                   +1 :              -0.00042171752881
                4p
                   -1 :               0.00013522582466
                   +0 :              -0.00003181377600
                   +1 :               0.00016436114964
                3d
                   -2 :               0.00015693346659
                   -1 :              -0.00008912448402
                   +0 :              -0.00012411748626
                   +1 :               0.00000920945294
                   +2 :               0.00011531504631
              9 vec=    -5.396580    -12.099475      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00018918680048
                2p
                   -1 :              -0.00011905145853
                   +0 :               0.00006647949388
                   +1 :               0.00013117059602
                3s
                   +0 :              -0.00159899401685
                4s
                   +0 :               0.00038734147659
                3p
                   -1 :               0.00119439463427
                   +0 :              -0.00110936972003
                   +1 :              -0.00092219346609
                4p
                   -1 :              -0.00025331007790
                   +0 :               0.00012009659442
                   +1 :               0.00020057477091
                3d
                   -2 :               0.00007999077933
                   -1 :               0.00033478809705
                   +0 :              -0.00027689770758
                   +1 :              -0.00000666466418
                   +2 :               0.00030876988781
             10 vec=   -13.176743     -7.607596      2.510804   |vec|=   15.420966
                2s
                   +0 :               0.00000479463023
                2p
                   -1 :               0.00000311516164
                   +0 :               0.00005363279010
                   +1 :               0.00000251590756
                3s
                   +0 :              -0.00017672874629
                4s
                   +0 :               0.00006365414893
                3p
                   -1 :               0.00005765507066
                   +0 :              -0.00030342341544
                   +1 :              -0.00000314132387
                4p
                   -1 :              -0.00004247606081
                   +0 :               0.00009043881118
                   +1 :              -0.00000987286389
                3d
                   -2 :               0.00001326678423
                   -1 :               0.00000459420488
                   +0 :               0.00001275040158
                   +1 :               0.00008001166133
                   +2 :               0.00002691670754
             11 vec=    -5.396580     14.851799      2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00004973445234
                2p
                   -1 :              -0.00004524304051
                   +0 :               0.00004633572468
                   +1 :              -0.00004056475696
                3s
                   +0 :               0.00040432112907
                4s
                   +0 :              -0.00015661293358
                3p
                   -1 :               0.00030017558904
                   +0 :              -0.00019304930139
                   +1 :               0.00016460523656
                4p
                   -1 :              -0.00010508902954
                   +0 :               0.00002908858624
                   +1 :              -0.00003155391531
                3d
                   -2 :              -0.00000055311168
                   -1 :              -0.00002097584310
                   +0 :               0.00002673073698
                   +1 :               0.00000958009321
                   +2 :              -0.00003538448183
             12 vec=    10.163745    -12.099475      2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00000660078610
                2p
                   -1 :              -0.00006470378187
                   +0 :              -0.00000568428519
                   +1 :               0.00000499706877
                3s
                   +0 :              -0.00006042086736
                4s
                   +0 :               0.00006106618989
                3p
                   -1 :               0.00023729346581
                   +0 :               0.00011028244800
                   +1 :              -0.00005367440280
                4p
                   -1 :              -0.00009279420529
                   +0 :              -0.00000726696333
                   +1 :               0.00003795335923
                3d
                   -2 :              -0.00000633376975
                   -1 :              -0.00002133600484
                   +0 :               0.00003227951971
                   +1 :              -0.00002410868777
                   +2 :              -0.00001569272566
             13 vec=   -13.176743     10.359920      2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00002639574843
                2p
                   -1 :               0.00000681206155
                   +0 :               0.00000742181085
                   +1 :               0.00001158372458
                3s
                   +0 :               0.00016020168128
                4s
                   +0 :              -0.00004547697519
                3p
                   -1 :              -0.00008404488673
                   +0 :              -0.00001238692181
                   +1 :              -0.00008349479273
                4p
                   -1 :               0.00004091958193
                   +0 :               0.00001161640781
                   +1 :               0.00004248852285
                3d
                   -2 :               0.00000027311967
                   -1 :               0.00001296009074
                   +0 :               0.00002448695785
                   +1 :               0.00000138537941
                   +2 :               0.00001220222045
             14 vec=     2.383582    -16.591354      2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00007844608879
                2p
                   -1 :               0.00004431052609
                   +0 :              -0.00003060445340
                   +1 :              -0.00001300026847
                3s
                   +0 :               0.00020744713584
                4s
                   +0 :              -0.00009982968660
                3p
                   -1 :              -0.00021017865290
                   +0 :               0.00008160482944
                   +1 :               0.00001183216446
                4p
                   -1 :               0.00005377159200
                   +0 :              -0.00003551159313
                   +1 :              -0.00000138857157
                3d
                   -2 :              -0.00000671686486
                   -1 :              -0.00000794066612
                   +0 :               0.00002714659364
                   +1 :              -0.00004347695021
                   +2 :              -0.00000691737871
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al( 10)  npairs=  13
              1 vec=     2.383582      1.376162      9.763130   |vec|=   10.143668
                2s
                   +0 :              -0.00057629946415
                2p
                   -1 :              -0.00004124083000
                   +0 :               0.00000529722240
                   +1 :              -0.00009611782646
                3s
                   +0 :               0.00198652871326
                4s
                   +0 :              -0.00039083557306
                3p
                   -1 :              -0.00054666505841
                   +0 :               0.00008346431492
                   +1 :               0.00014634800917
                4p
                   -1 :               0.00012966234389
                   +0 :               0.00003206637421
                   +1 :               0.00004783296037
                3d
                   -2 :               0.00025852229616
                   -1 :              -0.00018756838296
                   +0 :              -0.00013194997523
                   +1 :               0.00011075574215
                   +2 :               0.00020168962640
              2 vec=    -5.396580     -3.115717      9.763130   |vec|=   11.582292
                2s
                   +0 :              -0.00037938108233
                2p
                   -1 :              -0.00007958886190
                   +0 :               0.00008157754565
                   +1 :               0.00016325864088
                3s
                   +0 :               0.00081915537702
                4s
                   +0 :              -0.00002061946197
                3p
                   -1 :               0.00035998890354
                   +0 :              -0.00075481348195
                   +1 :              -0.00058939435302
                4p
                   -1 :              -0.00001713142967
                   +0 :               0.00028096204534
                   +1 :               0.00002585213490
                3d
                   -2 :              -0.00038030549557
                   -1 :               0.00006939111968
                   +0 :              -0.00036198748879
                   +1 :               0.00001055392264
                   +2 :               0.00011995929978
              3 vec=    -5.396580      5.868041      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00003601522575
                2p
                   -1 :               0.00002578616908
                   +0 :               0.00003044414980
                   +1 :              -0.00009275815691
                3s
                   +0 :               0.00130279839783
                4s
                   +0 :              -0.00009001830483
                3p
                   -1 :               0.00055186688998
                   +0 :               0.00026193415409
                   +1 :              -0.00076806354418
                4p
                   -1 :              -0.00001873791786
                   +0 :               0.00005130643903
                   +1 :               0.00008790182167
                3d
                   -2 :              -0.00019515336549
                   -1 :               0.00014021257790
                   +0 :              -0.00017657240427
                   +1 :              -0.00004199088504
                   +2 :               0.00014539731532
              4 vec=     2.383582     -7.607596      9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00020547140228
                2p
                   -1 :               0.00015455536053
                   +0 :              -0.00001674854562
                   +1 :               0.00015929175904
                3s
                   +0 :              -0.00033620746930
                4s
                   +0 :               0.00017925639007
                3p
                   -1 :               0.00011997044022
                   +0 :              -0.00024749657603
                   +1 :              -0.00108277914103
                4p
                   -1 :              -0.00006676456268
                   +0 :               0.00018659415208
                   +1 :               0.00019007129586
                3d
                   -2 :               0.00039606014801
                   -1 :              -0.00016944962100
                   +0 :               0.00009863174825
                   +1 :              -0.00027856784446
                   +2 :              -0.00011556808053
              5 vec=     2.383582     10.359920      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00016225872256
                2p
                   -1 :              -0.00002937314681
                   +0 :              -0.00005126552101
                   +1 :               0.00000462873929
                3s
                   +0 :               0.00061334902855
                4s
                   +0 :              -0.00013694886638
                3p
                   -1 :               0.00008261169030
                   +0 :               0.00055842060544
                   +1 :               0.00008042529567
                4p
                   -1 :              -0.00000174421309
                   +0 :              -0.00007586931911
                   +1 :               0.00002941643345
                3d
                   -2 :              -0.00001630913772
                   -1 :               0.00008720216445
                   +0 :               0.00005555748924
                   +1 :               0.00017483893269
                   +2 :               0.00004827629213
              6 vec=    10.163745     -3.115717      9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00021534613655
                2p
                   -1 :               0.00002710917654
                   +0 :               0.00002312172028
                   +1 :               0.00001649519003
                3s
                   +0 :              -0.00071955040768
                4s
                   +0 :               0.00013941609175
                3p
                   -1 :              -0.00024916787297
                   +0 :              -0.00010211251414
                   +1 :               0.00000839146497
                4p
                   -1 :               0.00007268335188
                   +0 :               0.00001110025937
                   +1 :              -0.00006227060700
                3d
                   -2 :              -0.00015725611596
                   -1 :              -0.00012039821167
                   +0 :               0.00008127811104
                   +1 :              -0.00001018079202
                   +2 :               0.00007741785439
              7 vec=     2.383582      1.376162    -14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00005161006507
                2p
                   -1 :              -0.00002279807901
                   +0 :              -0.00001805464941
                   +1 :               0.00000578048274
                3s
                   +0 :              -0.00017485120938
                4s
                   +0 :               0.00006997775731
                3p
                   -1 :               0.00010293042293
                   +0 :               0.00004500958423
                   +1 :              -0.00011421095260
                4p
                   -1 :               0.00000498864306
                   +0 :              -0.00002357646422
                   +1 :               0.00001458772560
                3d
                   -2 :               0.00006873005943
                   -1 :              -0.00002516072875
                   +0 :              -0.00000162955134
                   +1 :              -0.00000826712432
                   +2 :              -0.00000521980193
              8 vec=    10.163745      5.868041      9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00004257388096
                2p
                   -1 :              -0.00004142297179
                   +0 :               0.00001331836424
                   +1 :              -0.00000648660206
                3s
                   +0 :               0.00020327078785
                4s
                   +0 :              -0.00009589460688
                3p
                   -1 :               0.00021633090825
                   +0 :               0.00000088553556
                   +1 :               0.00000795479253
                4p
                   -1 :              -0.00005854979061
                   +0 :              -0.00003240351987
                   +1 :              -0.00002167180857
                3d
                   -2 :               0.00005204220006
                   -1 :               0.00000502964411
                   +0 :              -0.00002828863157
                   +1 :               0.00000302439319
                   +2 :              -0.00001489893702
              9 vec=    -5.396580     -3.115717    -14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00000278937238
                2p
                   -1 :              -0.00004596433779
                   +0 :              -0.00001269254278
                   +1 :               0.00001478808163
                3s
                   +0 :              -0.00014749004662
                4s
                   +0 :               0.00006822254381
                3p
                   -1 :               0.00020208262410
                   +0 :               0.00014461992058
                   +1 :              -0.00010960804842
                4p
                   -1 :              -0.00005062093358
                   +0 :              -0.00004092639274
                   +1 :               0.00001758392772
                3d
                   -2 :               0.00004300271222
                   -1 :              -0.00002535424177
                   +0 :              -0.00004066809016
                   +1 :              -0.00002285942280
                   +2 :              -0.00000106296944
             10 vec=   -13.176743      1.376162      9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00009519277563
                2p
                   -1 :               0.00005005851058
                   +0 :              -0.00003180739089
                   +1 :               0.00006764260229
                3s
                   +0 :               0.00031801485392
                4s
                   +0 :              -0.00015171435103
                3p
                   -1 :              -0.00033546660126
                   +0 :               0.00016016579325
                   +1 :              -0.00039526425888
                4p
                   -1 :               0.00007836640517
                   +0 :              -0.00007853141830
                   +1 :               0.00014771744084
                3d
                   -2 :              -0.00002044481191
                   -1 :              -0.00000473900040
                   +0 :              -0.00002266942062
                   +1 :              -0.00008081482769
                   +2 :               0.00008059385880
             11 vec=    -5.396580    -12.099475      9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00001218550512
                2p
                   -1 :               0.00002163158213
                   +0 :              -0.00000837459321
                   +1 :               0.00001778831358
                3s
                   +0 :              -0.00019577295346
                4s
                   +0 :               0.00005851438014
                3p
                   -1 :               0.00000456952831
                   +0 :              -0.00000079785927
                   +1 :              -0.00006474077367
                4p
                   -1 :              -0.00000565913329
                   +0 :               0.00001424649682
                   +1 :               0.00001083665259
                3d
                   -2 :               0.00003516843600
                   -1 :              -0.00001023672734
                   +0 :               0.00001202464396
                   +1 :              -0.00002947038747
                   +2 :              -0.00000055745439
             12 vec=    -5.396580      5.868041    -14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00007289422960
                2p
                   -1 :              -0.00002295286036
                   +0 :               0.00003154388250
                   +1 :              -0.00002243272704
                3s
                   +0 :               0.00011358305330
                4s
                   +0 :              -0.00003358198221
                3p
                   -1 :               0.00004408039089
                   +0 :              -0.00002989434562
                   +1 :               0.00012089723214
                4p
                   -1 :              -0.00000389491965
                   +0 :               0.00002199034533
                   +1 :              -0.00002446975787
                3d
                   -2 :               0.00002800911314
                   -1 :               0.00002785165903
                   +0 :              -0.00004228470572
                   +1 :              -0.00002801504460
                   +2 :              -0.00002706179087
             13 vec=     2.383582     -7.607596    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00005171047277
                2p
                   -1 :               0.00001203208860
                   +0 :              -0.00000057410534
                   +1 :              -0.00006253335624
                3s
                   +0 :              -0.00013126637736
                4s
                   +0 :              -0.00003217444979
                3p
                   -1 :              -0.00006498830907
                   +0 :              -0.00007882712592
                   +1 :               0.00027838321272
                4p
                   -1 :               0.00002045821310
                   +0 :               0.00005390547450
                   +1 :              -0.00006768344523
                3d
                   -2 :               0.00002309112945
                   -1 :               0.00004527540707
                   +0 :               0.00008975832100
                   +1 :              -0.00003148206707
                   +2 :              -0.00005166927528
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al( 11)  npairs=  14
              1 vec=     2.383582      1.376162     -2.510641   |vec|=    3.725400
                2s
                   +0 :               0.01400138905263
                2p
                   -1 :               0.00374157074693
                   +0 :              -0.01141968187717
                   +1 :               0.01392788976471
                3s
                   +0 :               0.03870113632823
                4s
                   +0 :               0.00711341306621
                3p
                   -1 :              -0.00764942847619
                   +0 :              -0.03174983638774
                   +1 :               0.02077802831215
                4p
                   -1 :               0.00338596245273
                   +0 :              -0.00559370290401
                   +1 :               0.00835483953337
                3d
                   -2 :               0.00034705440908
                   -1 :               0.00192389928548
                   +0 :               0.01067379089159
                   +1 :              -0.02863689522552
                   +2 :               0.02159609965191
              2 vec=    -5.396580     -3.115717     -2.510641   |vec|=    6.718191
                2s
                   +0 :               0.00425807765329
                2p
                   -1 :              -0.00035469085979
                   +0 :              -0.00145312342947
                   +1 :              -0.00296117871628
                3s
                   +0 :              -0.01678761935744
                4s
                   +0 :               0.00941764401270
                3p
                   -1 :               0.00036028889088
                   +0 :               0.00753877731653
                   +1 :               0.01224710282162
                4p
                   -1 :              -0.00095798049738
                   +0 :              -0.00306395134428
                   +1 :              -0.00497250760804
                3d
                   -2 :              -0.00063381594361
                   -1 :               0.00068974066391
                   +0 :              -0.00086945675929
                   +1 :              -0.00227013279387
                   +2 :               0.00057903125303
              3 vec=    -5.396580      5.868041     -2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00028440724814
                2p
                   -1 :               0.00029499358007
                   +0 :               0.00013659366437
                   +1 :              -0.00051743710294
                3s
                   +0 :               0.00292520984003
                4s
                   +0 :               0.00044919081405
                3p
                   -1 :              -0.00262679061004
                   +0 :              -0.00475190205287
                   +1 :               0.00110962681551
                4p
                   -1 :               0.00044034511916
                   +0 :               0.00017284855567
                   +1 :              -0.00109748396191
                3d
                   -2 :               0.00112638577355
                   -1 :               0.00008011133997
                   +0 :               0.00235231309151
                   +1 :               0.00160113619957
                   +2 :               0.00035928312504
              4 vec=     2.383582     -7.607596     -2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00125482956804
                2p
                   -1 :              -0.00091074227526
                   +0 :              -0.00063000177463
                   +1 :              -0.00056604717178
                3s
                   +0 :              -0.00695425073781
                4s
                   +0 :              -0.00097497853610
                3p
                   -1 :               0.00323651538332
                   +0 :               0.00794178051979
                   +1 :               0.00813227068048
                4p
                   -1 :               0.00085033872862
                   +0 :              -0.00057564021196
                   +1 :              -0.00257963668954
                3d
                   -2 :              -0.00231357053508
                   -1 :              -0.00132779410192
                   +0 :              -0.00186196478418
                   +1 :              -0.00177808086423
                   +2 :              -0.00011236299118
              5 vec=     2.383582     10.359920     -2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00065373713095
                2p
                   -1 :               0.00028053513237
                   +0 :              -0.00002258242350
                   +1 :               0.00023391216734
                3s
                   +0 :              -0.00034456751279
                4s
                   +0 :              -0.00034357059821
                3p
                   -1 :               0.00035676418464
                   +0 :               0.00024581917775
                   +1 :              -0.00096218942584
                4p
                   -1 :              -0.00043774795849
                   +0 :               0.00000447731819
                   +1 :               0.00009448568900
                3d
                   -2 :              -0.00004314321702
                   -1 :              -0.00019182788966
                   +0 :               0.00010885092856
                   +1 :               0.00021980798182
                   +2 :              -0.00020526174600
              6 vec=    10.163745     -3.115717     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00028515185275
                2p
                   -1 :               0.00013038280513
                   +0 :               0.00000378329245
                   +1 :               0.00009342429247
                3s
                   +0 :               0.00037646216350
                4s
                   +0 :              -0.00037920556891
                3p
                   -1 :              -0.00054775594521
                   +0 :               0.00026367024023
                   +1 :              -0.00102988837222
                4p
                   -1 :               0.00015028979046
                   +0 :              -0.00005658976055
                   +1 :               0.00017731154523
                3d
                   -2 :              -0.00006421106860
                   -1 :              -0.00020546074721
                   +0 :              -0.00002881090181
                   +1 :               0.00010839249403
                   +2 :              -0.00034953700875
              7 vec=    10.163745      5.868041     -2.510641   |vec|=   12.001622
                2s
                   +0 :               0.00022415618924
                2p
                   -1 :               0.00003271234338
                   +0 :              -0.00000310258852
                   +1 :               0.00007398291132
                3s
                   +0 :              -0.00035244301369
                4s
                   +0 :               0.00019291268185
                3p
                   -1 :              -0.00000396692518
                   +0 :              -0.00030599648253
                   +1 :              -0.00020590109161
                4p
                   -1 :               0.00016562519977
                   +0 :              -0.00002985664683
                   +1 :              -0.00000431056113
                3d
                   -2 :               0.00041139421471
                   -1 :              -0.00015086735960
                   +0 :               0.00013316760987
                   +1 :              -0.00004940741983
                   +2 :              -0.00030685985338
              8 vec=   -13.176743      1.376162     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00011073093540
                2p
                   -1 :              -0.00002814119194
                   +0 :               0.00009959986369
                   +1 :               0.00003462954013
                3s
                   +0 :               0.00036113382828
                4s
                   +0 :              -0.00015882989141
                3p
                   -1 :               0.00008214784202
                   +0 :              -0.00043517338168
                   +1 :              -0.00020916201516
                4p
                   -1 :               0.00001490245320
                   +0 :               0.00015581742598
                   +1 :               0.00009243736602
                3d
                   -2 :              -0.00006334480122
                   -1 :               0.00001673561903
                   +0 :              -0.00000108085159
                   +1 :               0.00014275106340
                   +2 :               0.00006719022603
              9 vec=    -5.396580    -12.099475     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00004440104663
                2p
                   -1 :               0.00018796101990
                   +0 :               0.00023203441665
                   +1 :              -0.00036516438264
                3s
                   +0 :              -0.00060182987886
                4s
                   +0 :              -0.00006401543146
                3p
                   -1 :              -0.00041175042335
                   +0 :              -0.00009104330544
                   +1 :               0.00176592510234
                4p
                   -1 :               0.00022930689059
                   +0 :               0.00003350914906
                   +1 :              -0.00051360321418
                3d
                   -2 :              -0.00043927042782
                   -1 :              -0.00008966727111
                   +0 :              -0.00007488480254
                   +1 :               0.00005415960759
                   +2 :              -0.00021711613890
             10 vec=   -13.176743     -7.607596     -2.510641   |vec|=   15.420940
                2s
                   +0 :              -0.00003436201546
                2p
                   -1 :              -0.00001258908212
                   +0 :               0.00002140291915
                   +1 :               0.00002417095841
                3s
                   +0 :               0.00002664681619
                4s
                   +0 :               0.00001190914429
                3p
                   -1 :               0.00005504227134
                   +0 :              -0.00014154442330
                   +1 :              -0.00002784226935
                4p
                   -1 :              -0.00000087140764
                   +0 :               0.00006545473712
                   +1 :              -0.00003233260212
                3d
                   -2 :              -0.00000778509777
                   -1 :               0.00000202408523
                   +0 :              -0.00002264065670
                   +1 :               0.00002657904421
                   +2 :              -0.00001673908018
             11 vec=    -5.396580     14.851799     -2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00001168142147
                2p
                   -1 :              -0.00002534538830
                   +0 :              -0.00005623743599
                   +1 :              -0.00002656257445
                3s
                   +0 :               0.00007464514405
                4s
                   +0 :              -0.00000455639534
                3p
                   -1 :               0.00011563745383
                   +0 :               0.00028501919950
                   +1 :               0.00018237802803
                4p
                   -1 :              -0.00004354067478
                   +0 :              -0.00007160058609
                   +1 :              -0.00004724965157
                3d
                   -2 :               0.00002913573481
                   -1 :               0.00004857606847
                   +0 :               0.00000150161463
                   +1 :              -0.00000548595892
                   +2 :               0.00000251432401
             12 vec=    10.163745    -12.099475     -2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00002739384713
                2p
                   -1 :              -0.00003484500010
                   +0 :               0.00003551621194
                   +1 :               0.00004343200534
                3s
                   +0 :              -0.00005157723505
                4s
                   +0 :               0.00011172018948
                3p
                   -1 :               0.00015286580589
                   +0 :              -0.00020991020087
                   +1 :              -0.00019411375760
                4p
                   -1 :              -0.00007565401864
                   +0 :               0.00003979848419
                   +1 :               0.00008840016451
                3d
                   -2 :               0.00006809455468
                   -1 :               0.00008503851604
                   +0 :               0.00000686461966
                   +1 :               0.00005404156529
                   +2 :               0.00001792706876
             13 vec=   -13.176743     10.359920     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00006611987028
                2p
                   -1 :               0.00002843253743
                   +0 :              -0.00002822032406
                   +1 :              -0.00002420158797
                3s
                   +0 :              -0.00014984717055
                4s
                   +0 :               0.00006031407354
                3p
                   -1 :              -0.00010661566712
                   +0 :               0.00011184968252
                   +1 :               0.00012041167355
                4p
                   -1 :               0.00002517204972
                   +0 :              -0.00003516377189
                   +1 :              -0.00003498539638
                3d
                   -2 :              -0.00000488305824
                   -1 :              -0.00001069064741
                   +0 :               0.00000353580387
                   +1 :              -0.00003385452514
                   +2 :              -0.00001130253159
             14 vec=     2.383582    -16.591354     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00002023822778
                2p
                   -1 :              -0.00000203842946
                   +0 :               0.00002107128084
                   +1 :               0.00002489912533
                3s
                   +0 :              -0.00020936407621
                4s
                   +0 :               0.00010706035531
                3p
                   -1 :               0.00007234624660
                   +0 :              -0.00001905102565
                   +1 :              -0.00011103319429
                4p
                   -1 :              -0.00004976911885
                   +0 :              -0.00000222350656
                   +1 :               0.00000058317958
                3d
                   -2 :               0.00000956379320
                   -1 :              -0.00001852320966
                   +0 :              -0.00001124167864
                   +1 :              -0.00000337727586
                   +2 :               0.00002354303622
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site Al( 12)  npairs=  13
              1 vec=     2.383582      1.376162     -9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00003426396942
                2p
                   -1 :               0.00000193718214
                   +0 :               0.00011495021298
                   +1 :              -0.00020424837070
                3s
                   +0 :              -0.00061028725440
                4s
                   +0 :               0.00025430608652
                3p
                   -1 :              -0.00052876639276
                   +0 :              -0.00006566797340
                   +1 :               0.00057275806048
                4p
                   -1 :               0.00008084074011
                   +0 :              -0.00007634850368
                   +1 :              -0.00029225351257
                3d
                   -2 :               0.00003072382680
                   -1 :               0.00006707360986
                   +0 :               0.00003952264701
                   +1 :               0.00005608565892
                   +2 :               0.00028596690806
              2 vec=    -5.396580     -3.115717     -9.762967   |vec|=   11.582154
                2s
                   +0 :               0.00035999158462
                2p
                   -1 :               0.00019111281945
                   +0 :              -0.00008544349525
                   +1 :              -0.00044416597472
                3s
                   +0 :              -0.00128024880266
                4s
                   +0 :               0.00050571763579
                3p
                   -1 :              -0.00061229369558
                   +0 :               0.00068242278933
                   +1 :               0.00213030121741
                4p
                   -1 :               0.00003124452518
                   +0 :              -0.00034661218562
                   +1 :              -0.00052732846523
                3d
                   -2 :               0.00006946099419
                   -1 :               0.00025404761533
                   +0 :              -0.00004827658964
                   +1 :              -0.00038639251944
                   +2 :              -0.00011360698818
              3 vec=    -5.396580      5.868041     -9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00000364642231
                2p
                   -1 :               0.00010494094757
                   +0 :              -0.00000055238099
                   +1 :              -0.00005787606329
                3s
                   +0 :               0.00150040475069
                4s
                   +0 :              -0.00010014114346
                3p
                   -1 :               0.00046332709628
                   +0 :              -0.00038372611407
                   +1 :              -0.00087856598788
                4p
                   -1 :               0.00013774925991
                   +0 :               0.00002734807273
                   +1 :               0.00005079743062
                3d
                   -2 :              -0.00033472055813
                   -1 :              -0.00020161491114
                   +0 :              -0.00018460127246
                   +1 :               0.00013155322870
                   +2 :               0.00007872847697
              4 vec=     2.383582     -7.607596     -9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00001508404903
                2p
                   -1 :               0.00035900200141
                   +0 :               0.00012393254974
                   +1 :               0.00006075669660
                3s
                   +0 :              -0.00080825008097
                4s
                   +0 :              -0.00012745972359
                3p
                   -1 :              -0.00071270339807
                   +0 :              -0.00054272399476
                   +1 :               0.00006651834225
                4p
                   -1 :               0.00028822182462
                   +0 :               0.00040422455493
                   +1 :              -0.00014983277233
                3d
                   -2 :              -0.00022035851677
                   -1 :               0.00010550278653
                   +0 :               0.00012917759977
                   +1 :              -0.00005995428638
                   +2 :               0.00022689810375
              5 vec=     2.383582     10.359920     -9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00004217617725
                2p
                   -1 :              -0.00008458440376
                   +0 :               0.00003118576121
                   +1 :              -0.00006276484844
                3s
                   +0 :               0.00027614337038
                4s
                   +0 :              -0.00016388632092
                3p
                   -1 :               0.00035048938138
                   +0 :              -0.00025140274622
                   +1 :               0.00037853995660
                4p
                   -1 :              -0.00011924450161
                   +0 :               0.00010906542408
                   +1 :              -0.00005076581271
                3d
                   -2 :               0.00005272385245
                   -1 :              -0.00005780233886
                   +0 :               0.00003135364364
                   +1 :              -0.00004001533047
                   +2 :              -0.00002830411241
              6 vec=    10.163745     -3.115717     -9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00000302962714
                2p
                   -1 :               0.00003980419529
                   +0 :              -0.00000323691701
                   +1 :               0.00010212256221
                3s
                   +0 :              -0.00008335699386
                4s
                   +0 :               0.00002896981353
                3p
                   -1 :              -0.00015903898440
                   +0 :               0.00010468323751
                   +1 :              -0.00066054914963
                4p
                   -1 :              -0.00004502741384
                   +0 :              -0.00004613727552
                   +1 :               0.00014084591566
                3d
                   -2 :               0.00004900813084
                   -1 :               0.00006121531129
                   +0 :               0.00003162669211
                   +1 :               0.00017180639475
                   +2 :              -0.00020447368323
              7 vec=     2.383582      1.376162     14.784576   |vec|=   15.038583
                2s
                   +0 :               0.00000230541279
                2p
                   -1 :               0.00001492305943
                   +0 :              -0.00000726479643
                   +1 :              -0.00001161791822
                3s
                   +0 :               0.00001590229032
                4s
                   +0 :               0.00000527027443
                3p
                   -1 :              -0.00008350665729
                   +0 :               0.00001251005527
                   +1 :               0.00002971390766
                4p
                   -1 :               0.00002730278255
                   +0 :               0.00000946979550
                   +1 :               0.00000226528109
                3d
                   -2 :              -0.00004991139117
                   -1 :              -0.00000905059363
                   +0 :               0.00002105133013
                   +1 :               0.00001252543409
                   +2 :               0.00005636497508
              8 vec=    10.163745      5.868041     -9.762967   |vec|=   15.266013
                2s
                   +0 :               0.00023356936031
                2p
                   -1 :               0.00001360221507
                   +0 :              -0.00010177856631
                   +1 :               0.00016259119511
                3s
                   +0 :              -0.00068304308349
                4s
                   +0 :               0.00017394120144
                3p
                   -1 :               0.00005863962287
                   +0 :               0.00043021741611
                   +1 :              -0.00082881157316
                4p
                   -1 :              -0.00004834364735
                   +0 :              -0.00009401847034
                   +1 :               0.00019020168971
                3d
                   -2 :              -0.00012791711019
                   -1 :               0.00006507646414
                   +0 :               0.00001679864107
                   +1 :               0.00016123232242
                   +2 :              -0.00010317571110
              9 vec=    -5.396580     -3.115717     14.784576   |vec|=   16.044141
                2s
                   +0 :               0.00010580837970
                2p
                   -1 :              -0.00004220095008
                   +0 :               0.00002033331396
                   +1 :              -0.00003995869079
                3s
                   +0 :              -0.00039765512615
                4s
                   +0 :               0.00015377818118
                3p
                   -1 :               0.00016668109972
                   +0 :              -0.00013867772847
                   +1 :               0.00016099541064
                4p
                   -1 :              -0.00002504755226
                   +0 :               0.00005415101755
                   +1 :              -0.00006650428538
                3d
                   -2 :              -0.00001525575430
                   -1 :               0.00002854872914
                   +0 :               0.00002188639578
                   +1 :               0.00000094857005
                   +2 :              -0.00005039306613
             10 vec=   -13.176743      1.376162     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00000806128219
                2p
                   -1 :               0.00000498064133
                   +0 :              -0.00000908015257
                   +1 :              -0.00002142313416
                3s
                   +0 :              -0.00002154311702
                4s
                   +0 :              -0.00002533935433
                3p
                   -1 :              -0.00008956724817
                   +0 :               0.00004608173367
                   +1 :               0.00006800974323
                4p
                   -1 :               0.00003530929311
                   +0 :               0.00001698269713
                   +1 :               0.00000850374834
                3d
                   -2 :               0.00000828851169
                   -1 :               0.00000553052872
                   +0 :              -0.00002280463265
                   +1 :              -0.00003307107744
                   +2 :              -0.00002266580223
             11 vec=    -5.396580    -12.099475     -9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00006208454825
                2p
                   -1 :               0.00010052163052
                   +0 :               0.00000600398270
                   +1 :               0.00001604405348
                3s
                   +0 :               0.00009233143572
                4s
                   +0 :              -0.00005839056029
                3p
                   -1 :              -0.00036886029572
                   +0 :               0.00001724605887
                   +1 :              -0.00009081880537
                4p
                   -1 :               0.00007861342502
                   +0 :              -0.00000776569685
                   +1 :               0.00004890877215
                3d
                   -2 :               0.00006404211044
                   -1 :               0.00003097676713
                   +0 :              -0.00000091144835
                   +1 :              -0.00000503816907
                   +2 :              -0.00000969718216
             12 vec=    -5.396580      5.868041     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00000561617820
                2p
                   -1 :               0.00001452827349
                   +0 :               0.00000316351391
                   +1 :               0.00003145281685
                3s
                   +0 :              -0.00013231503685
                4s
                   +0 :               0.00000623283205
                3p
                   -1 :              -0.00011847051386
                   +0 :              -0.00017056024719
                   +1 :              -0.00008158587129
                4p
                   -1 :               0.00002093165843
                   +0 :               0.00000873999161
                   +1 :               0.00002352572612
                3d
                   -2 :               0.00002842854403
                   -1 :              -0.00004392346293
                   +0 :              -0.00006557771319
                   +1 :               0.00001135359025
                   +2 :              -0.00001446925236
             13 vec=     2.383582     -7.607596     14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00011903464346
                2p
                   -1 :              -0.00003935690188
                   +0 :               0.00003872105155
                   +1 :               0.00002949653218
                3s
                   +0 :              -0.00054773032978
                4s
                   +0 :               0.00016730361188
                3p
                   -1 :               0.00025537651695
                   +0 :              -0.00028549163195
                   +1 :              -0.00029743106555
                4p
                   -1 :              -0.00006790464570
                   +0 :               0.00008655929117
                   +1 :               0.00005442112184
                3d
                   -2 :               0.00006168638934
                   -1 :               0.00004303972259
                   +0 :               0.00000512784764
                   +1 :              -0.00008603142183
                   +2 :               0.00001161082142
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 13)  npairs=  15
              1 vec=     2.174037      4.491729      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00027260010377
                2s
                   +0 :               0.00249879218711
                3s
                   +0 :              -0.00033506095207
                2p
                   -1 :               0.00013568554205
                   +0 :               0.00127314498739
                   +1 :               0.00115844214735
                3p
                   -1 :               0.00027394909827
                   +0 :               0.00016711945912
                   +1 :               0.00010971863467
                3d
                   -2 :               0.00008620467985
                   -1 :               0.00008067444659
                   +0 :              -0.00001190145361
                   +1 :               0.00007196336804
                   +2 :              -0.00002187682978
              2 vec=     2.174037     -4.492029      8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00016291732486
                2s
                   +0 :              -0.00189279204705
                3s
                   +0 :               0.00055481802737
                2p
                   -1 :               0.00174244895040
                   +0 :              -0.00250588885636
                   +1 :               0.00009629872281
                3p
                   -1 :              -0.00095319809828
                   +0 :               0.00082985479929
                   +1 :               0.00093720147667
                3d
                   -2 :              -0.00013212125115
                   -1 :              -0.00004162952970
                   +0 :              -0.00009074114043
                   +1 :               0.00029575601343
                   +2 :               0.00006131328764
              3 vec=    -5.606126     -0.000150      8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00027210767696
                2s
                   +0 :              -0.00238586435113
                3s
                   +0 :               0.00059334662249
                2p
                   -1 :              -0.00052942231446
                   +0 :              -0.00161701266097
                   +1 :               0.00201689412180
                3p
                   -1 :              -0.00021356922704
                   +0 :               0.00045909395614
                   +1 :              -0.00109262426395
                3d
                   -2 :               0.00001563864309
                   -1 :              -0.00007456686906
                   +0 :              -0.00009447261662
                   +1 :              -0.00001910304676
                   +2 :               0.00001352060909
              4 vec=     9.954199     -0.000150      8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00000195039816
                2s
                   +0 :              -0.00000388241243
                3s
                   +0 :              -0.00012892734191
                2p
                   -1 :              -0.00001112081481
                   +0 :               0.00037518410317
                   +1 :              -0.00001222455156
                3p
                   -1 :               0.00011665895213
                   +0 :              -0.00038910909200
                   +1 :              -0.00013524006332
                3d
                   -2 :               0.00004625581866
                   -1 :               0.00005269743725
                   +0 :              -0.00002002616941
                   +1 :              -0.00005799561319
                   +2 :              -0.00002337587269
              5 vec=    -5.606126      8.983608      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00000249360163
                2s
                   +0 :               0.00037020506471
                3s
                   +0 :               0.00001361002633
                2p
                   -1 :               0.00004619720447
                   +0 :              -0.00016974056404
                   +1 :              -0.00002977377276
                3p
                   -1 :               0.00014815962109
                   +0 :               0.00020938771722
                   +1 :              -0.00023460567576
                3d
                   -2 :              -0.00001025394583
                   -1 :              -0.00000624108679
                   +0 :               0.00000723573371
                   +1 :              -0.00002335086040
                   +2 :               0.00002715918301
              6 vec=    -5.606126     -8.983908      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00000007798468
                2s
                   +0 :              -0.00037151137043
                3s
                   +0 :               0.00003268786602
                2p
                   -1 :               0.00014041575868
                   +0 :              -0.00031188795875
                   +1 :              -0.00028744252670
                3p
                   -1 :              -0.00002123139581
                   +0 :               0.00004514427046
                   +1 :               0.00020962938014
                3d
                   -2 :               0.00000820255664
                   -1 :              -0.00001330429481
                   +0 :               0.00001950203603
                   +1 :              -0.00003414314607
                   +2 :               0.00000260555779
              7 vec=     9.954199      8.983608      8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00001814264867
                2s
                   +0 :               0.00018909645043
                3s
                   +0 :              -0.00003009525952
                2p
                   -1 :              -0.00010023731260
                   +0 :               0.00011483305512
                   +1 :               0.00011355604113
                3p
                   -1 :               0.00006872650472
                   +0 :              -0.00003805783227
                   +1 :              -0.00000576217409
                3d
                   -2 :              -0.00000358528007
                   -1 :               0.00000650459552
                   +0 :               0.00000087011158
                   +1 :               0.00000035821257
                   +2 :              -0.00000538337046
              8 vec=     9.954199     -8.983908      8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00000551910379
                2s
                   +0 :               0.00004796123290
                3s
                   +0 :              -0.00005087792659
                2p
                   -1 :              -0.00005116508041
                   +0 :               0.00009555251090
                   +1 :               0.00017974627100
                3p
                   -1 :               0.00004694358027
                   +0 :              -0.00001828643245
                   +1 :              -0.00014001591654
                3d
                   -2 :               0.00001273034251
                   -1 :              -0.00000094586818
                   +0 :               0.00001321287219
                   +1 :              -0.00000300571594
                   +2 :              -0.00000514095262
              9 vec=     2.174037     13.475487      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00002908813425
                2s
                   +0 :               0.00032211457308
                3s
                   +0 :              -0.00005013112640
                2p
                   -1 :               0.00022502855171
                   +0 :               0.00012067704153
                   +1 :              -0.00006325260797
                3p
                   -1 :              -0.00006876716844
                   +0 :               0.00001295389537
                   +1 :               0.00007035168392
                3d
                   -2 :               0.00000722444829
                   -1 :               0.00001264284885
                   +0 :               0.00000367690478
                   +1 :               0.00000854348731
                   +2 :               0.00000696709971
             10 vec=     2.174037    -13.475787      8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00007362143751
                2s
                   +0 :               0.00045475709085
                3s
                   +0 :              -0.00027132052444
                2p
                   -1 :              -0.00008470544114
                   +0 :               0.00009382657993
                   +1 :               0.00003426804810
                3p
                   -1 :               0.00007894440461
                   +0 :              -0.00007506335085
                   +1 :              -0.00004716828240
                3d
                   -2 :               0.00001101983108
                   -1 :              -0.00000016539820
                   +0 :              -0.00001317385443
                   +1 :              -0.00001208770011
                   +2 :              -0.00001183938670
             11 vec=   -13.386289      4.491729      8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00000233644329
                2s
                   +0 :               0.00002485909297
                3s
                   +0 :               0.00001671328362
                2p
                   -1 :               0.00020891851570
                   +0 :              -0.00016985815441
                   +1 :               0.00003051016903
                3p
                   -1 :              -0.00018808315064
                   +0 :               0.00017388425101
                   +1 :              -0.00008364241913
                3d
                   -2 :               0.00001085190542
                   -1 :              -0.00000032336697
                   +0 :               0.00000476461533
                   +1 :              -0.00000786920189
                   +2 :               0.00001015807103
             12 vec=   -13.386289     -4.492029      8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00001530991762
                2s
                   +0 :              -0.00011985457860
                3s
                   +0 :               0.00002820445469
                2p
                   -1 :              -0.00006054499258
                   +0 :              -0.00007541933005
                   +1 :               0.00013871314629
                3p
                   -1 :               0.00005782249198
                   +0 :               0.00004206789296
                   +1 :              -0.00008106429542
                3d
                   -2 :               0.00000259490333
                   -1 :              -0.00000521687974
                   +0 :              -0.00000201332170
                   +1 :              -0.00000072113070
                   +2 :               0.00000045009850
             13 vec=     2.174037      4.491729    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00001414061556
                2s
                   +0 :              -0.00012238639478
                3s
                   +0 :               0.00003742310877
                2p
                   -1 :              -0.00004401578549
                   +0 :               0.00015146912546
                   +1 :              -0.00006088225780
                3p
                   -1 :               0.00002277751844
                   +0 :              -0.00005228169960
                   +1 :               0.00004911370418
                3d
                   -2 :              -0.00000196191198
                   -1 :              -0.00000087271116
                   +0 :              -0.00000311392582
                   +1 :              -0.00000201762866
                   +2 :              -0.00000318745176
             14 vec=     2.174037     -4.492029    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00000828502677
                2s
                   +0 :              -0.00006662055400
                3s
                   +0 :               0.00002719575174
                2p
                   -1 :              -0.00001114123743
                   +0 :               0.00006999217183
                   +1 :               0.00003665664541
                3p
                   -1 :              -0.00000728687853
                   +0 :              -0.00000584369491
                   +1 :              -0.00004266030586
                3d
                   -2 :              -0.00000153127746
                   -1 :               0.00000040315648
                   +0 :               0.00000086918438
                   +1 :               0.00000151935682
                   +2 :              -0.00000086018883
             15 vec=    -5.606126     -0.000150    -16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00000387409059
                2s
                   +0 :               0.00006223193716
                3s
                   +0 :              -0.00000332260351
                2p
                   -1 :              -0.00018686617644
                   +0 :               0.00001295294546
                   +1 :              -0.00003145624508
                3p
                   -1 :               0.00008367751030
                   +0 :              -0.00008153899612
                   +1 :               0.00002887479540
                3d
                   -2 :               0.00000245431672
                   -1 :               0.00000167429619
                   +0 :               0.00000637690756
                   +1 :              -0.00000021232291
                   +2 :              -0.00000108956826
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 14)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00039641191746
                2s
                   +0 :              -0.00297683142835
                3s
                   +0 :               0.00093280345196
                2p
                   -1 :              -0.00349894958378
                   +0 :              -0.00253399023153
                   +1 :              -0.00154546767906
                3p
                   -1 :               0.00189057555154
                   +0 :               0.00121997874013
                   +1 :               0.00052431256546
                3d
                   -2 :              -0.00000181658071
                   -1 :               0.00009230913190
                   +0 :              -0.00002385491306
                   +1 :              -0.00000995519327
                   +2 :               0.00004905926759
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00020730957233
                2s
                   +0 :               0.00225267627979
                3s
                   +0 :              -0.00010675418276
                2p
                   -1 :               0.00107766980812
                   +0 :               0.00257939246519
                   +1 :              -0.00132746060251
                3p
                   -1 :              -0.00008598223547
                   +0 :              -0.00049297545841
                   +1 :              -0.00007958354177
                3d
                   -2 :              -0.00004704190733
                   -1 :               0.00013331349503
                   +0 :               0.00000976455436
                   +1 :              -0.00003629140175
                   +2 :              -0.00002956261227
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00014749436543
                2s
                   +0 :              -0.00122241799463
                3s
                   +0 :               0.00039498381481
                2p
                   -1 :              -0.00102199102078
                   +0 :              -0.00262389489342
                   +1 :               0.00002029208616
                3p
                   -1 :               0.00105575353164
                   +0 :               0.00162532556750
                   +1 :              -0.00072852921599
                3d
                   -2 :               0.00008818052735
                   -1 :               0.00009882177161
                   +0 :              -0.00008401106628
                   +1 :              -0.00023874818272
                   +2 :               0.00018759536085
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00004679460475
                2s
                   +0 :               0.00076742019933
                3s
                   +0 :              -0.00004909664075
                2p
                   -1 :               0.00018398610155
                   +0 :               0.00009352250033
                   +1 :               0.00038534487177
                3p
                   -1 :               0.00000733433135
                   +0 :               0.00013634912215
                   +1 :              -0.00005121825623
                3d
                   -2 :              -0.00000131986345
                   -1 :               0.00002004858033
                   +0 :               0.00004099270681
                   +1 :               0.00003193293872
                   +2 :               0.00000745036250
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001548269051
                2s
                   +0 :              -0.00001224086783
                3s
                   +0 :              -0.00002327153582
                2p
                   -1 :              -0.00026583633729
                   +0 :              -0.00034807604001
                   +1 :               0.00006996007197
                3p
                   -1 :               0.00019366920210
                   +0 :               0.00024412314699
                   +1 :               0.00003405265679
                3d
                   -2 :              -0.00000360297771
                   -1 :              -0.00001482863425
                   +0 :              -0.00002257398358
                   +1 :               0.00001489058252
                   +2 :              -0.00001731281945
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00010146684183
                2s
                   +0 :               0.00055787658613
                3s
                   +0 :              -0.00046945931848
                2p
                   -1 :              -0.00026806957506
                   +0 :               0.00009287432786
                   +1 :               0.00011726609323
                3p
                   -1 :               0.00028104575757
                   +0 :              -0.00012502493967
                   +1 :               0.00007416764668
                3d
                   -2 :              -0.00004652012266
                   -1 :               0.00007233625589
                   +0 :              -0.00002561283135
                   +1 :               0.00006527774402
                   +2 :              -0.00000880716227
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000528901393
                2s
                   +0 :               0.00007322046043
                3s
                   +0 :               0.00000179925140
                2p
                   -1 :              -0.00009093887461
                   +0 :              -0.00008322451170
                   +1 :               0.00001111936417
                3p
                   -1 :               0.00009069246459
                   +0 :               0.00010100220792
                   +1 :               0.00004448947628
                3d
                   -2 :               0.00000043532611
                   -1 :               0.00000422872788
                   +0 :              -0.00000028607980
                   +1 :               0.00000414621861
                   +2 :              -0.00000496336231
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002877188543
                2s
                   +0 :              -0.00019518745609
                3s
                   +0 :               0.00007971605792
                2p
                   -1 :              -0.00003572426778
                   +0 :              -0.00003037277157
                   +1 :              -0.00024554983361
                3p
                   -1 :               0.00004217524881
                   +0 :               0.00002721260576
                   +1 :               0.00018706845755
                3d
                   -2 :               0.00000409675581
                   -1 :               0.00000249198392
                   +0 :              -0.00000144296284
                   +1 :              -0.00000565190739
                   +2 :               0.00000287956710
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00004768346518
                2s
                   +0 :               0.00039382305586
                3s
                   +0 :              -0.00008300549765
                2p
                   -1 :               0.00036386673592
                   +0 :               0.00018168178564
                   +1 :               0.00004728199918
                3p
                   -1 :              -0.00019018038087
                   +0 :              -0.00006639572813
                   +1 :              -0.00006390071464
                3d
                   -2 :              -0.00001119293552
                   -1 :              -0.00000006443855
                   +0 :               0.00000237217644
                   +1 :               0.00000058424326
                   +2 :               0.00000176499423
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00002814756042
                2s
                   +0 :               0.00017372322853
                3s
                   +0 :              -0.00007732084072
                2p
                   -1 :               0.00003286010761
                   +0 :               0.00007324268952
                   +1 :              -0.00015525081277
                3p
                   -1 :              -0.00004346729963
                   +0 :              -0.00006678240045
                   +1 :               0.00009796214662
                3d
                   -2 :               0.00000778792727
                   -1 :              -0.00000805593078
                   +0 :              -0.00001173822909
                   +1 :              -0.00000502462383
                   +2 :              -0.00000534166802
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001114151114
                2s
                   +0 :               0.00000698366156
                3s
                   +0 :              -0.00002347316370
                2p
                   -1 :              -0.00010277540829
                   +0 :              -0.00007460330875
                   +1 :              -0.00012054600723
                3p
                   -1 :               0.00012921484118
                   +0 :               0.00005103924561
                   +1 :               0.00009534505951
                3d
                   -2 :               0.00000133549658
                   -1 :              -0.00000694344967
                   +0 :               0.00000572368139
                   +1 :              -0.00001484671664
                   +2 :               0.00000012180929
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000587630255
                2s
                   +0 :              -0.00008586022782
                3s
                   +0 :               0.00006569850906
                2p
                   -1 :               0.00011978991273
                   +0 :               0.00014598394946
                   +1 :               0.00004107904214
                3p
                   -1 :              -0.00010411075884
                   +0 :              -0.00001644883015
                   +1 :              -0.00001463838125
                3d
                   -2 :               0.00001218330605
                   -1 :              -0.00002089569304
                   +0 :               0.00002380954240
                   +1 :              -0.00002824002978
                   +2 :               0.00000541304201
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00001456946590
                2s
                   +0 :               0.00013459923832
                3s
                   +0 :              -0.00003842056181
                2p
                   -1 :              -0.00010501145067
                   +0 :              -0.00009579481534
                   +1 :              -0.00007168333832
                3p
                   -1 :               0.00003886126544
                   +0 :               0.00001663932076
                   +1 :               0.00006487546007
                3d
                   -2 :              -0.00000214129319
                   -1 :               0.00000328855668
                   +0 :               0.00000874130386
                   +1 :              -0.00000543094978
                   +2 :              -0.00000632425685
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00000330399186
                2s
                   +0 :              -0.00003020106312
                3s
                   +0 :               0.00000366179793
                2p
                   -1 :               0.00000001040497
                   +0 :               0.00001949879432
                   +1 :               0.00005884146799
                3p
                   -1 :              -0.00001751618521
                   +0 :               0.00001031971193
                   +1 :              -0.00001989368717
                3d
                   -2 :               0.00000100371920
                   -1 :              -0.00000078384624
                   +0 :              -0.00000239940045
                   +1 :              -0.00000257236428
                   +2 :              -0.00000065044788
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001087557291
                2s
                   +0 :               0.00004795313785
                3s
                   +0 :              -0.00003475833728
                2p
                   -1 :              -0.00004622713949
                   +0 :               0.00002418193689
                   +1 :               0.00004974086178
                3p
                   -1 :               0.00002530737966
                   +0 :               0.00003563508069
                   +1 :              -0.00002771857513
                3d
                   -2 :              -0.00000467386257
                   -1 :              -0.00000158476682
                   +0 :               0.00000118006136
                   +1 :              -0.00000286755668
                   +2 :              -0.00000119786730
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 15)  npairs=  14
              1 vec=    -0.209805     -0.363094      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00005243883147
                2s
                   +0 :               0.00029204251069
                3s
                   +0 :              -0.00008952243126
                2p
                   -1 :              -0.00151472502445
                   +0 :              -0.00170147718026
                   +1 :              -0.00097884136848
                3p
                   -1 :               0.00008829116780
                   +0 :               0.00133325584737
                   +1 :               0.00092413197633
                3d
                   -2 :               0.00000161840382
                   -1 :               0.00000423342347
                   +0 :               0.00004212346625
                   +1 :               0.00011357628329
                   +2 :              -0.00015121085329
              2 vec=     7.570358      4.128785      8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00007311048794
                2s
                   +0 :               0.00041940443049
                3s
                   +0 :              -0.00021003360368
                2p
                   -1 :               0.00013694278420
                   +0 :              -0.00015426169485
                   +1 :              -0.00004668854248
                3p
                   -1 :              -0.00022058829525
                   +0 :               0.00017710141624
                   +1 :               0.00002873425858
                3d
                   -2 :               0.00000862399867
                   -1 :              -0.00001276238164
                   +0 :              -0.00000545203273
                   +1 :               0.00002079871653
                   +2 :              -0.00000980612314
              3 vec=    -0.209805      8.620664      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00001111896352
                2s
                   +0 :              -0.00002070616063
                3s
                   +0 :               0.00024826577612
                2p
                   -1 :               0.00043431248274
                   +0 :              -0.00002129066483
                   +1 :              -0.00049425067165
                3p
                   -1 :               0.00026072129172
                   +0 :               0.00027533668167
                   +1 :               0.00041415291452
                3d
                   -2 :               0.00002229204636
                   -1 :               0.00005390539851
                   +0 :              -0.00009508075845
                   +1 :              -0.00000735028435
                   +2 :              -0.00005206711741
              4 vec=     7.570358     -4.854973      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00001944591440
                2s
                   +0 :              -0.00021241640129
                3s
                   +0 :               0.00002916895642
                2p
                   -1 :               0.00010271781335
                   +0 :              -0.00014614515045
                   +1 :               0.00022597417594
                3p
                   -1 :              -0.00021741083893
                   +0 :              -0.00009476301874
                   +1 :              -0.00044145701215
                3d
                   -2 :              -0.00004047183802
                   -1 :              -0.00004167370580
                   +0 :               0.00000217731011
                   +1 :               0.00001350504819
                   +2 :              -0.00005956885232
              5 vec=    -7.989968      4.128785      8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00000855744358
                2s
                   +0 :               0.00013017602049
                3s
                   +0 :               0.00000478308927
                2p
                   -1 :              -0.00032839587797
                   +0 :               0.00045565075823
                   +1 :              -0.00039607858499
                3p
                   -1 :               0.00019955373682
                   +0 :              -0.00031769451543
                   +1 :               0.00023219957002
                3d
                   -2 :              -0.00000437478754
                   -1 :               0.00003307056039
                   +0 :               0.00002121369489
                   +1 :               0.00000695357681
                   +2 :               0.00000570046549
              6 vec=    -0.209805     -9.346852      8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00012772818144
                2s
                   +0 :              -0.00093366345226
                3s
                   +0 :               0.00036279822511
                2p
                   -1 :               0.00150794970002
                   +0 :              -0.00072874322725
                   +1 :              -0.00010393451666
                3p
                   -1 :              -0.00111370654897
                   +0 :               0.00056688680080
                   +1 :               0.00009873037108
                3d
                   -2 :              -0.00001409253273
                   -1 :              -0.00006164804056
                   +0 :               0.00002725260104
                   +1 :               0.00005042863057
                   +2 :              -0.00006472064665
              7 vec=    -7.989968     -4.854973      8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00005115694608
                2s
                   +0 :              -0.00052424009871
                3s
                   +0 :               0.00007052048889
                2p
                   -1 :              -0.00020549414779
                   +0 :              -0.00028921232691
                   +1 :               0.00022175661520
                3p
                   -1 :               0.00004603338627
                   +0 :              -0.00004346188386
                   +1 :              -0.00000287074845
                3d
                   -2 :              -0.00000164902452
                   -1 :              -0.00002262025137
                   +0 :              -0.00001650814424
                   +1 :               0.00002626239794
                   +2 :               0.00000145206421
              8 vec=    -0.209805     -0.363094    -16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000895713535
                2s
                   +0 :               0.00004700489647
                3s
                   +0 :              -0.00004121635593
                2p
                   -1 :               0.00007461806988
                   +0 :              -0.00002342896585
                   +1 :               0.00003593718809
                3p
                   -1 :              -0.00008070105848
                   +0 :               0.00003357992203
                   +1 :              -0.00001650580721
                3d
                   -2 :              -0.00000223192791
                   -1 :               0.00000662189667
                   +0 :              -0.00000170242873
                   +1 :               0.00000197104464
                   +2 :               0.00000264896810
              9 vec=     7.570358     13.112543      8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00000776743495
                2s
                   +0 :               0.00008918188756
                3s
                   +0 :               0.00001538851662
                2p
                   -1 :              -0.00000490123523
                   +0 :               0.00002594600464
                   +1 :               0.00016736443272
                3p
                   -1 :               0.00004454110053
                   +0 :              -0.00002531966193
                   +1 :              -0.00007722954164
                3d
                   -2 :              -0.00000225292585
                   -1 :               0.00000546442743
                   +0 :              -0.00000474080689
                   +1 :              -0.00000441014991
                   +2 :              -0.00000433713992
             10 vec=    15.350520     -0.363094      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00000620503547
                2s
                   +0 :               0.00001346378389
                3s
                   +0 :              -0.00001829462313
                2p
                   -1 :              -0.00000642311563
                   +0 :               0.00001908552750
                   +1 :              -0.00001074743110
                3p
                   -1 :              -0.00001494992457
                   +0 :              -0.00002502986169
                   +1 :              -0.00001401524430
                3d
                   -2 :              -0.00000428584209
                   -1 :               0.00000210890210
                   +0 :              -0.00000521326155
                   +1 :               0.00000502040408
                   +2 :               0.00000307912097
             11 vec=    -7.989968     13.112543      8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00002282873466
                2s
                   +0 :               0.00018179362685
                3s
                   +0 :              -0.00003783934145
                2p
                   -1 :               0.00011436798510
                   +0 :               0.00000486772451
                   +1 :              -0.00003973620605
                3p
                   -1 :              -0.00006727357783
                   +0 :               0.00004865129568
                   +1 :              -0.00000702537135
                3d
                   -2 :               0.00000028420716
                   -1 :               0.00000784132402
                   +0 :               0.00000920485411
                   +1 :              -0.00000492093178
                   +2 :               0.00000545327124
             12 vec=     7.570358    -13.838731      8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000380202722
                2s
                   +0 :              -0.00006422229924
                3s
                   +0 :              -0.00001671291871
                2p
                   -1 :               0.00009033797430
                   +0 :              -0.00009289959688
                   +1 :               0.00002783421191
                3p
                   -1 :              -0.00004609369671
                   +0 :               0.00001069058992
                   +1 :              -0.00001973649981
                3d
                   -2 :              -0.00000195537205
                   -1 :               0.00000372106356
                   +0 :              -0.00000622639586
                   +1 :               0.00000009242792
                   +2 :              -0.00000036476764
             13 vec=   -15.770130     -0.363094      8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00000883544173
                2s
                   +0 :              -0.00007160149768
                3s
                   +0 :               0.00000215965184
                2p
                   -1 :               0.00003114339866
                   +0 :               0.00005011934967
                   +1 :               0.00006771507404
                3p
                   -1 :              -0.00003982003644
                   +0 :              -0.00005943428455
                   +1 :              -0.00001146756798
                3d
                   -2 :              -0.00000042348040
                   -1 :              -0.00000121406617
                   +0 :               0.00000589849374
                   +1 :               0.00000808168722
                   +2 :               0.00000077034873
             14 vec=    -7.989968    -13.838731      8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00001744206228
                2s
                   +0 :              -0.00014409797539
                3s
                   +0 :               0.00004388911163
                2p
                   -1 :               0.00003967939259
                   +0 :              -0.00002391373197
                   +1 :               0.00001500206787
                3p
                   -1 :              -0.00000135945257
                   +0 :              -0.00001968250704
                   +1 :              -0.00000438024846
                3d
                   -2 :               0.00000317989782
                   -1 :               0.00000240008377
                   +0 :              -0.00000273315913
                   +1 :              -0.00000048959199
                   +2 :               0.00000051702532
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 16)  npairs=  14
              1 vec=    -2.593647     -1.739405     -4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00050272817592
                2s
                   +0 :              -0.01632108734903
                3s
                   +0 :              -0.00279050056010
                2p
                   -1 :              -0.00456537043983
                   +0 :               0.01294086444017
                   +1 :               0.00351619312954
                3p
                   -1 :               0.00119519491267
                   +0 :               0.00182713206921
                   +1 :               0.00516580300391
                3d
                   -2 :              -0.00006592246523
                   -1 :               0.00022383587816
                   +0 :              -0.00131409409605
                   +1 :              -0.00194529224158
                   +2 :              -0.00075096964588
              2 vec=     5.186516      2.752474     -4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00133211307420
                2s
                   +0 :               0.00889203575703
                3s
                   +0 :              -0.00439151781217
                2p
                   -1 :               0.00821039997167
                   +0 :              -0.00105120676278
                   +1 :               0.00371310829708
                3p
                   -1 :              -0.00740745988806
                   +0 :               0.00038758490680
                   +1 :              -0.00176952802131
                3d
                   -2 :              -0.00041249890068
                   -1 :               0.00002530322458
                   +0 :               0.00015176744529
                   +1 :               0.00013432103486
                   +2 :              -0.00005943082542
              3 vec=    -2.593647      7.244353     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00002260776968
                2s
                   +0 :              -0.00046522712714
                3s
                   +0 :               0.00030976154231
                2p
                   -1 :               0.00262742479218
                   +0 :               0.00137480061960
                   +1 :              -0.00175171945908
                3p
                   -1 :              -0.00128743327638
                   +0 :              -0.00066430930121
                   +1 :               0.00100420403627
                3d
                   -2 :               0.00007815090033
                   -1 :               0.00005318907089
                   +0 :              -0.00004712729639
                   +1 :               0.00010403733370
                   +2 :               0.00006159400969
              4 vec=     5.186516     -6.231284     -4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00020534371077
                2s
                   +0 :              -0.00092680077204
                3s
                   +0 :               0.00034087665067
                2p
                   -1 :              -0.00266813832089
                   +0 :               0.00358479948117
                   +1 :              -0.00031961080757
                3p
                   -1 :               0.00202949752356
                   +0 :              -0.00197054324279
                   +1 :              -0.00032938810849
                3d
                   -2 :              -0.00000181602014
                   -1 :              -0.00006034050820
                   +0 :              -0.00000705935108
                   +1 :              -0.00008165825796
                   +2 :               0.00003388513448
              5 vec=   -10.373810      2.752474     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00006553175294
                2s
                   +0 :              -0.00028521206527
                3s
                   +0 :               0.00020075180381
                2p
                   -1 :              -0.00021946319990
                   +0 :               0.00001616139611
                   +1 :              -0.00017971430268
                3p
                   -1 :               0.00000706745626
                   +0 :              -0.00004586009289
                   +1 :               0.00005390076819
                3d
                   -2 :               0.00001793213349
                   -1 :               0.00002625451899
                   +0 :               0.00005865963889
                   +1 :               0.00005705683592
                   +2 :               0.00001008292280
              6 vec=    -2.593647    -10.723163     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00003444577269
                2s
                   +0 :              -0.00043849257625
                3s
                   +0 :               0.00007110963525
                2p
                   -1 :              -0.00027289401299
                   +0 :               0.00102623842263
                   +1 :              -0.00086437668832
                3p
                   -1 :               0.00031242509757
                   +0 :              -0.00072592403235
                   +1 :               0.00081744483787
                3d
                   -2 :              -0.00008477337883
                   -1 :               0.00005881951792
                   +0 :              -0.00007706248810
                   +1 :               0.00004295972736
                   +2 :               0.00006548279294
              7 vec=   -10.373810     -6.231284     -4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00002750083098
                2s
                   +0 :              -0.00041413008004
                3s
                   +0 :               0.00011460019556
                2p
                   -1 :               0.00008889755278
                   +0 :              -0.00052147930782
                   +1 :              -0.00005754463713
                3p
                   -1 :              -0.00002000444778
                   +0 :               0.00039940431633
                   +1 :               0.00003163812471
                3d
                   -2 :               0.00001631575553
                   -1 :              -0.00001052123659
                   +0 :              -0.00002075903726
                   +1 :              -0.00000124564123
                   +2 :               0.00004130242770
              8 vec=     5.186516     11.736232     -4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00007363148553
                2s
                   +0 :               0.00100784765794
                3s
                   +0 :              -0.00009104908080
                2p
                   -1 :               0.00049342082671
                   +0 :              -0.00061939953556
                   +1 :              -0.00020863682130
                3p
                   -1 :              -0.00024277024573
                   +0 :               0.00013168017544
                   +1 :               0.00018765928725
                3d
                   -2 :               0.00001873747156
                   -1 :               0.00000659813152
                   +0 :               0.00003912345530
                   +1 :              -0.00000577307277
                   +2 :              -0.00002747505479
              9 vec=    12.966678     -1.739405     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00006242522324
                2s
                   +0 :               0.00028824159683
                3s
                   +0 :              -0.00018853304978
                2p
                   -1 :               0.00005736448043
                   +0 :              -0.00017223174883
                   +1 :               0.00030802369191
                3p
                   -1 :              -0.00008887091721
                   +0 :               0.00012579971621
                   +1 :              -0.00035205323302
                3d
                   -2 :               0.00000337818383
                   -1 :               0.00001140833186
                   +0 :               0.00000132196079
                   +1 :               0.00000738236347
                   +2 :              -0.00003511775284
             10 vec=    12.966678      7.244353     -4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00002252429757
                2s
                   +0 :               0.00017365808172
                3s
                   +0 :              -0.00005898519672
                2p
                   -1 :              -0.00005365609448
                   +0 :              -0.00004712132908
                   +1 :               0.00002250294136
                3p
                   -1 :               0.00003029324935
                   +0 :               0.00000744713152
                   +1 :               0.00004353896555
                3d
                   -2 :               0.00001453537525
                   -1 :              -0.00000709698094
                   +0 :              -0.00000660522004
                   +1 :               0.00000334821973
                   +2 :               0.00000132807874
             11 vec=   -10.373810     11.736232     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00001211773167
                2s
                   +0 :              -0.00000280324319
                3s
                   +0 :               0.00005052716464
                2p
                   -1 :               0.00001944047553
                   +0 :              -0.00002953033798
                   +1 :              -0.00006076581482
                3p
                   -1 :               0.00001835379535
                   +0 :              -0.00001676679209
                   +1 :              -0.00002453132209
                3d
                   -2 :               0.00000205157734
                   -1 :               0.00000585036412
                   +0 :              -0.00000828465702
                   +1 :               0.00000317769194
                   +2 :              -0.00000016540044
             12 vec=     5.186516    -15.215042     -4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00004386618662
                2s
                   +0 :              -0.00029834045596
                3s
                   +0 :               0.00009418049631
                2p
                   -1 :               0.00019085908426
                   +0 :              -0.00016592379531
                   +1 :              -0.00002861091170
                3p
                   -1 :              -0.00004068740567
                   +0 :               0.00021728104177
                   +1 :              -0.00001588828500
                3d
                   -2 :              -0.00000638724926
                   -1 :              -0.00001612444469
                   +0 :               0.00000593698541
                   +1 :              -0.00000161970008
                   +2 :               0.00000750929206
             13 vec=    -2.593647     16.228111     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00002843576115
                2s
                   +0 :               0.00020564846031
                3s
                   +0 :              -0.00005827604490
                2p
                   -1 :               0.00012257059444
                   +0 :              -0.00002654549215
                   +1 :              -0.00013082578264
                3p
                   -1 :              -0.00004371545916
                   +0 :              -0.00001088536784
                   +1 :               0.00010268498298
                3d
                   -2 :               0.00000499388072
                   -1 :               0.00000335844239
                   +0 :               0.00000904675458
                   +1 :              -0.00000244528474
                   +2 :              -0.00001086191749
             14 vec=    12.966678    -10.723163     -4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00002506304562
                2s
                   +0 :              -0.00015742696765
                3s
                   +0 :               0.00006706139659
                2p
                   -1 :               0.00001498585445
                   +0 :              -0.00000595514667
                   +1 :               0.00004317410379
                3p
                   -1 :               0.00002265966202
                   +0 :               0.00002251303814
                   +1 :              -0.00005982867160
                3d
                   -2 :               0.00000711524677
                   -1 :              -0.00000260864048
                   +0 :              -0.00000226311800
                   +1 :               0.00000048867535
                   +2 :               0.00001005599639
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 17)  npairs=  14
              1 vec=     2.174037     -1.739405     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00152529810492
                2s
                   +0 :              -0.03532006248281
                3s
                   +0 :               0.00356501303120
                2p
                   -1 :               0.00004384333284
                   +0 :               0.02185522943149
                   +1 :              -0.01013312269987
                3p
                   -1 :              -0.00547929699078
                   +0 :              -0.00154617403655
                   +1 :               0.00072467684468
                3d
                   -2 :              -0.00008967320832
                   -1 :               0.00111111687519
                   +0 :              -0.00167459392422
                   +1 :               0.00126982369155
                   +2 :              -0.00111507311417
              2 vec=    -5.606126      2.752474     -4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00019222929540
                2s
                   +0 :               0.00142818515887
                3s
                   +0 :              -0.00077592233282
                2p
                   -1 :               0.00159991010391
                   +0 :               0.00097503313782
                   +1 :              -0.00189648131380
                3p
                   -1 :              -0.00146485791864
                   +0 :              -0.00163278459993
                   +1 :               0.00050629270640
                3d
                   -2 :               0.00012823779638
                   -1 :               0.00003537548377
                   +0 :               0.00022400088169
                   +1 :              -0.00015638909886
                   +2 :              -0.00015065579727
              3 vec=     2.174037      7.244353     -4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00028451263973
                2s
                   +0 :               0.00093370458782
                3s
                   +0 :              -0.00013011990173
                2p
                   -1 :               0.00177016325595
                   +0 :               0.00267127690409
                   +1 :               0.00057925824590
                3p
                   -1 :              -0.00066226154370
                   +0 :              -0.00276795249466
                   +1 :              -0.00025888135056
                3d
                   -2 :              -0.00003634365595
                   -1 :              -0.00006795126462
                   +0 :               0.00020750469279
                   +1 :               0.00002133021529
                   +2 :               0.00006720119083
              4 vec=    -5.606126     -6.231284     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00068914393069
                2s
                   +0 :              -0.00411370979858
                3s
                   +0 :               0.00162540380512
                2p
                   -1 :               0.00040974439475
                   +0 :               0.00161847169181
                   +1 :               0.00252907428281
                3p
                   -1 :              -0.00010218944780
                   +0 :               0.00012438951890
                   +1 :              -0.00174877536329
                3d
                   -2 :               0.00020512474245
                   -1 :               0.00011335148558
                   +0 :              -0.00019173271839
                   +1 :              -0.00004732277755
                   +2 :               0.00008272844192
              5 vec=     9.954199      2.752474     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00005861144495
                2s
                   +0 :               0.00059626513089
                3s
                   +0 :              -0.00030068394497
                2p
                   -1 :              -0.00004161326794
                   +0 :              -0.00022851470317
                   +1 :               0.00183495909409
                3p
                   -1 :              -0.00016143370177
                   +0 :               0.00019217395471
                   +1 :              -0.00156870941028
                3d
                   -2 :              -0.00007715609464
                   -1 :               0.00001437920375
                   +0 :               0.00017508545076
                   +1 :              -0.00003034528475
                   +2 :              -0.00011909019523
              6 vec=     2.174037    -10.723163     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00005934206623
                2s
                   +0 :               0.00004913558381
                3s
                   +0 :              -0.00016573106924
                2p
                   -1 :              -0.00028718903861
                   +0 :              -0.00022730476799
                   +1 :              -0.00060124281242
                3p
                   -1 :               0.00053218931987
                   +0 :               0.00022234283220
                   +1 :               0.00058130777828
                3d
                   -2 :               0.00007095733579
                   -1 :               0.00000231923662
                   +0 :               0.00010647966335
                   +1 :               0.00007771180326
                   +2 :               0.00012111588671
              7 vec=     9.954199     -6.231284     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00001870278631
                2s
                   +0 :              -0.00030934220224
                3s
                   +0 :               0.00008517790599
                2p
                   -1 :               0.00008075617914
                   +0 :               0.00006168819985
                   +1 :              -0.00086933210105
                3p
                   -1 :               0.00001687229324
                   +0 :              -0.00027157902977
                   +1 :               0.00076227672324
                3d
                   -2 :               0.00001250963577
                   -1 :               0.00003509011912
                   +0 :              -0.00000122427112
                   +1 :              -0.00005272833637
                   +2 :               0.00003694970801
              8 vec=    -5.606126     11.736232     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00000815204080
                2s
                   +0 :               0.00050068097211
                3s
                   +0 :               0.00011838400493
                2p
                   -1 :               0.00008871679511
                   +0 :              -0.00027999890733
                   +1 :              -0.00015466937323
                3p
                   -1 :               0.00022623487536
                   +0 :              -0.00013684651610
                   +1 :               0.00003887535929
                3d
                   -2 :              -0.00002762779154
                   -1 :              -0.00002096275579
                   +0 :              -0.00000644052673
                   +1 :               0.00000596977924
                   +2 :              -0.00001534588861
              9 vec=   -13.386289     -1.739405     -4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00003037059483
                2s
                   +0 :              -0.00025739214021
                3s
                   +0 :               0.00005873193559
                2p
                   -1 :              -0.00013081221640
                   +0 :              -0.00007095356052
                   +1 :              -0.00004660703274
                3p
                   -1 :               0.00008817117131
                   +0 :               0.00007397229611
                   +1 :               0.00017132096824
                3d
                   -2 :              -0.00000089950727
                   -1 :              -0.00000326613073
                   +0 :               0.00000190497852
                   +1 :              -0.00000793222452
                   +2 :              -0.00002222377081
             10 vec=   -13.386289      7.244353     -4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000169686194
                2s
                   +0 :               0.00000690134665
                3s
                   +0 :               0.00001717415612
                2p
                   -1 :               0.00004796813081
                   +0 :               0.00002421920744
                   +1 :              -0.00002649887686
                3p
                   -1 :              -0.00006017255245
                   +0 :              -0.00005437153364
                   +1 :              -0.00001515581437
                3d
                   -2 :               0.00000214590495
                   -1 :               0.00000405864257
                   +0 :               0.00000330320593
                   +1 :              -0.00000207016515
                   +2 :               0.00000561287718
             11 vec=     9.954199     11.736232     -4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00007008853613
                2s
                   +0 :               0.00051073300859
                3s
                   +0 :              -0.00021498273155
                2p
                   -1 :               0.00024285124244
                   +0 :              -0.00002539698634
                   +1 :               0.00040193996649
                3p
                   -1 :              -0.00010387633356
                   +0 :               0.00000951259740
                   +1 :              -0.00025365559256
                3d
                   -2 :              -0.00000929752404
                   -1 :              -0.00000657951312
                   +0 :              -0.00001448762995
                   +1 :               0.00000035578975
                   +2 :              -0.00001516017906
             12 vec=    -5.606126    -15.215042     -4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00000600433367
                2s
                   +0 :              -0.00006929129896
                3s
                   +0 :               0.00001505959946
                2p
                   -1 :               0.00025052696277
                   +0 :               0.00007515614178
                   +1 :               0.00038848062559
                3p
                   -1 :              -0.00019551694914
                   +0 :              -0.00004029416166
                   +1 :              -0.00034419027359
                3d
                   -2 :               0.00002234730832
                   -1 :               0.00000547445564
                   +0 :              -0.00001021754761
                   +1 :               0.00001144384354
                   +2 :              -0.00000986504155
             13 vec=     2.174037     16.228111     -4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00003515904749
                2s
                   +0 :               0.00025401788751
                3s
                   +0 :              -0.00010023407709
                2p
                   -1 :               0.00015890378108
                   +0 :              -0.00006419275844
                   +1 :               0.00019428780186
                3p
                   -1 :              -0.00006302488262
                   +0 :               0.00001857331828
                   +1 :              -0.00014815324455
                3d
                   -2 :              -0.00001286284754
                   -1 :               0.00000070616807
                   +0 :              -0.00000030715643
                   +1 :              -0.00000046231872
                   +2 :              -0.00000149875793
             14 vec=   -13.386289    -10.723163     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00000187406438
                2s
                   +0 :              -0.00000730517600
                3s
                   +0 :              -0.00000779226129
                2p
                   -1 :              -0.00001680873313
                   +0 :              -0.00002625976782
                   +1 :              -0.00009042293037
                3p
                   -1 :               0.00001522434236
                   +0 :               0.00002872895966
                   +1 :               0.00010763917156
                3d
                   -2 :              -0.00000236350594
                   -1 :               0.00000077844010
                   +0 :               0.00000528268319
                   +1 :              -0.00000127758307
                   +2 :              -0.00001155779922
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 18)  npairs=  14
              1 vec=    -0.209805      3.115418     -4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00181404287681
                2s
                   +0 :               0.04336575774454
                3s
                   +0 :              -0.00254213911219
                2p
                   -1 :               0.01015117323138
                   +0 :              -0.02284904648577
                   +1 :               0.00166935934855
                3p
                   -1 :               0.00421436356445
                   +0 :              -0.00113324213805
                   +1 :              -0.00270698208592
                3d
                   -2 :              -0.00007647605140
                   -1 :              -0.00224156681958
                   +0 :               0.00140625383032
                   +1 :              -0.00068368553506
                   +2 :              -0.00057545610941
              2 vec=    -0.209805     -5.868340     -4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00141066196405
                2s
                   +0 :              -0.01187522948909
                3s
                   +0 :               0.00605180651316
                2p
                   -1 :               0.01545588083513
                   +0 :               0.01322041498451
                   +1 :               0.00045687646143
                3p
                   -1 :              -0.01189608543679
                   +0 :              -0.00899956399597
                   +1 :              -0.00123051396587
                3d
                   -2 :               0.00007488998043
                   -1 :               0.00135995530071
                   +0 :               0.00050425034198
                   +1 :              -0.00000767281917
                   +2 :              -0.00068292912744
              3 vec=     7.570358     -1.376461     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00019301571994
                2s
                   +0 :               0.00117100961108
                3s
                   +0 :              -0.00065643736064
                2p
                   -1 :              -0.00187532048215
                   +0 :              -0.00002692918752
                   +1 :              -0.00152330702845
                3p
                   -1 :               0.00144593885763
                   +0 :              -0.00039580932331
                   +1 :               0.00108407754196
                3d
                   -2 :              -0.00001723991966
                   -1 :               0.00008765617784
                   +0 :               0.00008099747559
                   +1 :              -0.00009637644378
                   +2 :               0.00017859829548
              4 vec=    -7.989968     -1.376461     -4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00022894582098
                2s
                   +0 :               0.00138292191670
                3s
                   +0 :              -0.00076961305217
                2p
                   -1 :               0.00100076756993
                   +0 :              -0.00050070454781
                   +1 :               0.00080383787648
                3p
                   -1 :              -0.00106925277630
                   +0 :               0.00015406805293
                   +1 :              -0.00024282203231
                3d
                   -2 :               0.00005304325017
                   -1 :               0.00006571175618
                   +0 :              -0.00003791270636
                   +1 :               0.00018026480050
                   +2 :               0.00009090917409
              5 vec=     7.570358      7.607297     -4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00006422934795
                2s
                   +0 :              -0.00012984171971
                3s
                   +0 :               0.00046800968132
                2p
                   -1 :              -0.00095619954252
                   +0 :               0.00006525412808
                   +1 :               0.00032895579050
                3p
                   -1 :               0.00118048102838
                   +0 :              -0.00044343219568
                   +1 :               0.00028416884765
                3d
                   -2 :               0.00008687245060
                   -1 :               0.00000881892532
                   +0 :              -0.00006576183875
                   +1 :              -0.00006759079268
                   +2 :              -0.00002860821691
              6 vec=    -7.989968      7.607297     -4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00003272631452
                2s
                   +0 :               0.00038083614720
                3s
                   +0 :              -0.00005926368436
                2p
                   -1 :               0.00053147268516
                   +0 :              -0.00038570210306
                   +1 :              -0.00052943227724
                3p
                   -1 :              -0.00047551862093
                   +0 :               0.00029086003648
                   +1 :               0.00026930075741
                3d
                   -2 :              -0.00000537887495
                   -1 :               0.00002940464230
                   +0 :              -0.00004021300090
                   +1 :              -0.00000231714679
                   +2 :               0.00000434403406
              7 vec=    -0.209805     12.099176     -4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00001262980153
                2s
                   +0 :               0.00046664434180
                3s
                   +0 :               0.00003014169354
                2p
                   -1 :              -0.00051398897234
                   +0 :               0.00005543181723
                   +1 :               0.00017489934609
                3p
                   -1 :               0.00056969270921
                   +0 :              -0.00018063138547
                   +1 :              -0.00008390953822
                3d
                   -2 :               0.00001092393465
                   -1 :              -0.00001698386649
                   +0 :              -0.00000120535633
                   +1 :              -0.00000818039492
                   +2 :              -0.00001823561655
              8 vec=     7.570358    -10.360219     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00004652060436
                2s
                   +0 :              -0.00054613040610
                3s
                   +0 :              -0.00000321860689
                2p
                   -1 :               0.00016725066172
                   +0 :              -0.00001082542117
                   +1 :               0.00036600924387
                3p
                   -1 :              -0.00017812560817
                   +0 :               0.00029175176854
                   +1 :              -0.00046038910132
                3d
                   -2 :               0.00002656089657
                   -1 :              -0.00002000112731
                   +0 :              -0.00003401136817
                   +1 :               0.00004214311664
                   +2 :              -0.00005729234626
              9 vec=    -7.989968    -10.360219     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00014883797180
                2s
                   +0 :               0.00057344764504
                3s
                   +0 :              -0.00049204662073
                2p
                   -1 :               0.00048916634319
                   +0 :              -0.00017843235039
                   +1 :               0.00027770737088
                3p
                   -1 :              -0.00043633537283
                   +0 :               0.00016406005469
                   +1 :              -0.00020520732150
                3d
                   -2 :               0.00001664422766
                   -1 :               0.00001563718879
                   +0 :              -0.00001761905719
                   +1 :               0.00002513468617
                   +2 :               0.00000448644735
             10 vec=    -0.209805    -14.852098     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00001935760885
                2s
                   +0 :               0.00009119172206
                3s
                   +0 :              -0.00015846821409
                2p
                   -1 :              -0.00014775449005
                   +0 :               0.00010482112416
                   +1 :               0.00015250303507
                3p
                   -1 :               0.00021522560575
                   +0 :              -0.00003861770505
                   +1 :              -0.00012440919150
                3d
                   -2 :               0.00001592974018
                   -1 :               0.00000550829924
                   +0 :              -0.00001576787915
                   +1 :               0.00000990885335
                   +2 :               0.00001009957730
             11 vec=    15.350520      3.115418     -4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00002544105545
                2s
                   +0 :              -0.00012528179800
                3s
                   +0 :               0.00009671857340
                2p
                   -1 :              -0.00021610934069
                   +0 :              -0.00018133736390
                   +1 :              -0.00027235264725
                3p
                   -1 :               0.00015198829789
                   +0 :               0.00011267038017
                   +1 :               0.00028080510054
                3d
                   -2 :               0.00001366738291
                   -1 :              -0.00000543150278
                   +0 :              -0.00001133641325
                   +1 :               0.00000472699915
                   +2 :               0.00002289266239
             12 vec=   -15.770130      3.115418     -4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00001192531243
                2s
                   +0 :               0.00009509304686
                3s
                   +0 :              -0.00003949509635
                2p
                   -1 :              -0.00007935953230
                   +0 :              -0.00006220436464
                   +1 :               0.00003211297908
                3p
                   -1 :               0.00004120003098
                   +0 :               0.00003427532909
                   +1 :              -0.00005943016195
                3d
                   -2 :               0.00000201259860
                   -1 :               0.00000239893657
                   +0 :              -0.00000622322072
                   +1 :              -0.00000543615534
                   +2 :               0.00000442553107
             13 vec=    15.350520     -5.868340     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00000132352810
                2s
                   +0 :              -0.00001013883784
                3s
                   +0 :              -0.00001562053255
                2p
                   -1 :              -0.00003283618478
                   +0 :               0.00002026476675
                   +1 :               0.00005870210163
                3p
                   -1 :               0.00003157643587
                   +0 :               0.00000385607028
                   +1 :              -0.00008116339109
                3d
                   -2 :              -0.00000161834683
                   -1 :               0.00000357758259
                   +0 :              -0.00000195139975
                   +1 :               0.00000181660030
                   +2 :              -0.00001217231846
             14 vec=   -15.770130     -5.868340     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00002026521361
                2s
                   +0 :              -0.00015032683456
                3s
                   +0 :               0.00005960500435
                2p
                   -1 :               0.00009881670090
                   +0 :               0.00005494007475
                   +1 :               0.00006418977379
                3p
                   -1 :              -0.00006902297770
                   +0 :              -0.00000792837474
                   +1 :              -0.00004539858064
                3d
                   -2 :              -0.00000126925090
                   -1 :               0.00000043360664
                   +0 :              -0.00000362521566
                   +1 :              -0.00000025516266
                   +2 :              -0.00000428109468
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 19)  npairs=  14
              1 vec=    -0.419091     -0.000299     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00039352107079
                2s
                   +0 :              -0.00244802837043
                3s
                   +0 :               0.00086291763259
                2p
                   -1 :              -0.00273207720620
                   +0 :               0.00146284014761
                   +1 :              -0.00079095515390
                3p
                   -1 :               0.00105040784535
                   +0 :              -0.00043096541856
                   +1 :               0.00080897276512
                3d
                   -2 :              -0.00010576221900
                   -1 :              -0.00000620735856
                   +0 :              -0.00021020647729
                   +1 :              -0.00006714367492
                   +2 :              -0.00006546861489
              2 vec=     7.361071      4.491580     -8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00007865486897
                2s
                   +0 :              -0.00028770484770
                3s
                   +0 :               0.00017533008875
                2p
                   -1 :               0.00019261443799
                   +0 :               0.00017140105869
                   +1 :               0.00121318231279
                3p
                   -1 :              -0.00036635160990
                   +0 :              -0.00007685076128
                   +1 :              -0.00086762048524
                3d
                   -2 :              -0.00008140128753
                   -1 :               0.00006603969807
                   +0 :               0.00001276194504
                   +1 :               0.00000767542064
                   +2 :               0.00002208427110
              3 vec=     7.361071     -4.492178     -8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00004140916546
                2s
                   +0 :              -0.00065407089821
                3s
                   +0 :               0.00009729035489
                2p
                   -1 :               0.00049556263157
                   +0 :               0.00030206401885
                   +1 :               0.00005650296864
                3p
                   -1 :              -0.00054664593844
                   +0 :               0.00004379050817
                   +1 :              -0.00022580786065
                3d
                   -2 :              -0.00005038586278
                   -1 :               0.00002988705345
                   +0 :              -0.00001857174863
                   +1 :               0.00001590967934
                   +2 :              -0.00004910555694
              4 vec=    -0.419091      8.983459     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00014128716669
                2s
                   +0 :               0.00145157994374
                3s
                   +0 :              -0.00036179939462
                2p
                   -1 :               0.00105090987931
                   +0 :              -0.00061049588542
                   +1 :              -0.00062144933536
                3p
                   -1 :              -0.00046835650536
                   +0 :               0.00007230231433
                   +1 :               0.00041909525200
                3d
                   -2 :               0.00003039880281
                   -1 :               0.00002975762598
                   +0 :               0.00003960712466
                   +1 :              -0.00000359299410
                   +2 :               0.00002114903667
              5 vec=    -0.419091     -8.984057     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00029269348804
                2s
                   +0 :               0.00145790656392
                3s
                   +0 :              -0.00102491927162
                2p
                   -1 :              -0.00089532311715
                   +0 :              -0.00081028062456
                   +1 :               0.00185219945631
                3p
                   -1 :               0.00098015498438
                   +0 :               0.00073198726808
                   +1 :              -0.00155879264106
                3d
                   -2 :               0.00009433544904
                   -1 :              -0.00015186599257
                   +0 :              -0.00006836297485
                   +1 :               0.00012846095498
                   +2 :               0.00004782827458
              6 vec=    -8.199254      4.491580     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00004538531334
                2s
                   +0 :              -0.00013084626153
                3s
                   +0 :               0.00015040764693
                2p
                   -1 :               0.00013526869751
                   +0 :              -0.00033264643517
                   +1 :              -0.00087399868435
                3p
                   -1 :              -0.00024471498397
                   +0 :               0.00024028032097
                   +1 :               0.00057540460039
                3d
                   -2 :               0.00002737885764
                   -1 :               0.00000911238919
                   +0 :              -0.00000167414485
                   +1 :              -0.00002409609533
                   +2 :               0.00000643399137
              7 vec=    -8.199254     -4.492178     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00000487473950
                2s
                   +0 :              -0.00031377469110
                3s
                   +0 :               0.00000896563479
                2p
                   -1 :              -0.00046831550896
                   +0 :               0.00049662593723
                   +1 :               0.00023961599686
                3p
                   -1 :               0.00030055231473
                   +0 :              -0.00028304139214
                   +1 :              -0.00005078266611
                3d
                   -2 :              -0.00000155433005
                   -1 :               0.00001534109672
                   +0 :              -0.00002627763878
                   +1 :               0.00000433462358
                   +2 :               0.00002712851777
              8 vec=    -0.419091     -0.000299     16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00002160686510
                2s
                   +0 :              -0.00011801334998
                3s
                   +0 :               0.00006499502179
                2p
                   -1 :               0.00001536188030
                   +0 :              -0.00003436183814
                   +1 :              -0.00007931711321
                3p
                   -1 :              -0.00003126951717
                   +0 :               0.00004306038826
                   +1 :               0.00006463256847
                3d
                   -2 :              -0.00000673905241
                   -1 :              -0.00000344262321
                   +0 :              -0.00000136524708
                   +1 :               0.00000641088634
                   +2 :               0.00000845231515
              9 vec=    15.141234     -0.000299     -8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00002680945667
                2s
                   +0 :              -0.00019330393392
                3s
                   +0 :               0.00010187816253
                2p
                   -1 :               0.00001844605529
                   +0 :               0.00002066932287
                   +1 :              -0.00006318547850
                3p
                   -1 :              -0.00003405575168
                   +0 :              -0.00002099963370
                   +1 :               0.00001979406665
                3d
                   -2 :              -0.00000588364885
                   -1 :               0.00000508330562
                   +0 :              -0.00000019267585
                   +1 :               0.00000312727139
                   +2 :              -0.00000565233361
             10 vec=     7.361071     13.475338     -8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000290345857
                2s
                   +0 :               0.00009177772163
                3s
                   +0 :               0.00000903222426
                2p
                   -1 :               0.00002002943033
                   +0 :              -0.00010313556441
                   +1 :               0.00003987383362
                3p
                   -1 :               0.00003816519089
                   +0 :               0.00000852606575
                   +1 :               0.00003203951236
                3d
                   -2 :               0.00001085151411
                   -1 :               0.00000086100680
                   +0 :              -0.00000321012698
                   +1 :              -0.00000561441684
                   +2 :              -0.00000270879724
             11 vec=     7.361071    -13.475936     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00002238709949
                2s
                   +0 :              -0.00017020111202
                3s
                   +0 :               0.00005937829595
                2p
                   -1 :               0.00008464399039
                   +0 :               0.00001015948926
                   +1 :              -0.00027319420531
                3p
                   -1 :              -0.00000970154230
                   +0 :               0.00001963483636
                   +1 :               0.00021327210558
                3d
                   -2 :              -0.00000316315076
                   -1 :              -0.00001711872824
                   +0 :               0.00000483087726
                   +1 :              -0.00000235155308
                   +2 :               0.00001803321516
             12 vec=    -8.199254     13.475338     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00001762728618
                2s
                   +0 :               0.00013366686127
                3s
                   +0 :              -0.00002455227699
                2p
                   -1 :               0.00003361193800
                   +0 :              -0.00005054904008
                   +1 :              -0.00006807928332
                3p
                   -1 :              -0.00001403586797
                   +0 :              -0.00001702428275
                   +1 :              -0.00000171044747
                3d
                   -2 :              -0.00000153802448
                   -1 :               0.00000027920274
                   +0 :               0.00000366562505
                   +1 :               0.00000287049872
                   +2 :               0.00000156671433
             13 vec=    -8.199254    -13.475936     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000227201953
                2s
                   +0 :              -0.00000623719368
                3s
                   +0 :              -0.00001977709193
                2p
                   -1 :              -0.00005516568708
                   +0 :              -0.00010585867770
                   +1 :               0.00004960308506
                3p
                   -1 :               0.00006943070206
                   +0 :               0.00010326330241
                   +1 :              -0.00002670394366
                3d
                   -2 :              -0.00000131027227
                   -1 :              -0.00000636542460
                   +0 :              -0.00000817304452
                   +1 :              -0.00000076562559
                   +2 :               0.00001023640195
             14 vec=   -15.979417     -0.000299     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000330826907
                2s
                   +0 :              -0.00003277158920
                3s
                   +0 :               0.00000676188305
                2p
                   -1 :              -0.00003351543135
                   +0 :               0.00004372058124
                   +1 :               0.00003033502977
                3p
                   -1 :               0.00001811628686
                   +0 :              -0.00003055860378
                   +1 :              -0.00000631615702
                3d
                   -2 :              -0.00000163957573
                   -1 :              -0.00000234352308
                   +0 :               0.00000224908195
                   +1 :              -0.00000175479759
                   +2 :               0.00000009216458
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 20)  npairs=  15
              1 vec=     2.592869      4.491580     -8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00027919301558
                2s
                   +0 :               0.00287939681544
                3s
                   +0 :              -0.00044483273154
                2p
                   -1 :              -0.00072950245076
                   +0 :              -0.00237784697723
                   +1 :               0.00282208183165
                3p
                   -1 :               0.00060022965969
                   +0 :               0.00055545886672
                   +1 :              -0.00057577120451
                3d
                   -2 :              -0.00004645863592
                   -1 :              -0.00009258997775
                   +0 :               0.00000919331410
                   +1 :              -0.00009009874070
                   +2 :               0.00009952940852
              2 vec=     2.592869     -4.492178     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00004163050962
                2s
                   +0 :               0.00003409608958
                3s
                   +0 :              -0.00030232524172
                2p
                   -1 :               0.00174108760589
                   +0 :               0.00182468373402
                   +1 :               0.00017326426879
                3p
                   -1 :              -0.00054029776708
                   +0 :              -0.00060224179272
                   +1 :               0.00005606249214
                3d
                   -2 :               0.00003549282960
                   -1 :              -0.00007154533960
                   +0 :               0.00003631850557
                   +1 :              -0.00011028616197
                   +2 :              -0.00001346526160
              3 vec=    -5.187294     -0.000299     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00033449396847
                2s
                   +0 :              -0.00254331128435
                3s
                   +0 :               0.00064958312337
                2p
                   -1 :              -0.00006885260506
                   +0 :               0.00184123964779
                   +1 :               0.00355095901321
                3p
                   -1 :              -0.00081292225422
                   +0 :               0.00024089884413
                   +1 :              -0.00179977926337
                3d
                   -2 :               0.00016460329552
                   -1 :               0.00015970018733
                   +0 :              -0.00009184746269
                   +1 :              -0.00000734036249
                   +2 :               0.00006653326904
              4 vec=    10.373032     -0.000299     -8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00005329385853
                2s
                   +0 :              -0.00032996294576
                3s
                   +0 :               0.00003571568337
                2p
                   -1 :               0.00044260539315
                   +0 :              -0.00009310115112
                   +1 :              -0.00021019969442
                3p
                   -1 :              -0.00045524585984
                   +0 :              -0.00004069533748
                   +1 :              -0.00000140355400
                3d
                   -2 :              -0.00000602126579
                   -1 :              -0.00000454217010
                   +0 :              -0.00000462269504
                   +1 :               0.00002807118275
                   +2 :              -0.00005846991398
              5 vec=    -5.187294      8.983459     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000266915416
                2s
                   +0 :               0.00015045676147
                3s
                   +0 :               0.00003276757826
                2p
                   -1 :               0.00002510508055
                   +0 :               0.00027547850945
                   +1 :               0.00006421385060
                3p
                   -1 :              -0.00002778718263
                   +0 :              -0.00021636256085
                   +1 :              -0.00006224398837
                3d
                   -2 :              -0.00000083076255
                   -1 :               0.00000362650529
                   +0 :               0.00002581051887
                   +1 :               0.00002248667753
                   +2 :               0.00001686290444
              6 vec=    -5.187294     -8.984057     -8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00001438715261
                2s
                   +0 :              -0.00037200366688
                3s
                   +0 :              -0.00004624725439
                2p
                   -1 :               0.00053221875391
                   +0 :               0.00042841656895
                   +1 :              -0.00027567908681
                3p
                   -1 :              -0.00030493114796
                   +0 :              -0.00025504302616
                   +1 :               0.00020906442358
                3d
                   -2 :              -0.00000415166928
                   -1 :               0.00001659499737
                   +0 :               0.00006448233516
                   +1 :               0.00000581122062
                   +2 :              -0.00003518971810
              7 vec=    10.373032      8.983459     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00001269625334
                2s
                   +0 :               0.00009374194378
                3s
                   +0 :              -0.00002018382125
                2p
                   -1 :              -0.00021717737795
                   +0 :              -0.00026704525553
                   +1 :               0.00000661823260
                3p
                   -1 :               0.00021133652999
                   +0 :               0.00016744250948
                   +1 :               0.00003693148468
                3d
                   -2 :               0.00001516117576
                   -1 :              -0.00001288483169
                   +0 :              -0.00001793194844
                   +1 :               0.00001325073884
                   +2 :              -0.00001031091586
              8 vec=     2.592869     13.475338     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00000781214979
                2s
                   +0 :               0.00012384487004
                3s
                   +0 :              -0.00000423546795
                2p
                   -1 :               0.00007944360794
                   +0 :              -0.00024566524584
                   +1 :               0.00010985027157
                3p
                   -1 :              -0.00001024774475
                   +0 :               0.00012950142312
                   +1 :              -0.00010211473615
                3d
                   -2 :              -0.00000390512831
                   -1 :              -0.00000405672808
                   +0 :               0.00000437696819
                   +1 :               0.00000685787857
                   +2 :              -0.00000040989020
              9 vec=    10.373032     -8.984057     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002223942350
                2s
                   +0 :              -0.00015805549581
                3s
                   +0 :               0.00004439190858
                2p
                   -1 :              -0.00009201544048
                   +0 :               0.00010819084334
                   +1 :              -0.00021723502622
                3p
                   -1 :               0.00006202171979
                   +0 :              -0.00004168324536
                   +1 :               0.00012378612104
                3d
                   -2 :               0.00000143779494
                   -1 :              -0.00000134143001
                   +0 :               0.00000132112711
                   +1 :              -0.00001064107338
                   +2 :               0.00000884292046
             10 vec=     2.592869    -13.475936     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00004575644583
                2s
                   +0 :              -0.00031171982842
                3s
                   +0 :               0.00013398990854
                2p
                   -1 :               0.00019735606843
                   +0 :               0.00014005826570
                   +1 :               0.00004184396295
                3p
                   -1 :              -0.00010548609210
                   +0 :              -0.00009483555403
                   +1 :              -0.00005522731511
                3d
                   -2 :              -0.00002580697981
                   -1 :               0.00000903855622
                   +0 :              -0.00000386389609
                   +1 :               0.00000699397532
                   +2 :               0.00000001878600
             11 vec=   -12.967456      4.491580     -8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00000809295111
                2s
                   +0 :              -0.00002243068572
                3s
                   +0 :               0.00003976495910
                2p
                   -1 :               0.00002655561265
                   +0 :              -0.00008167765213
                   +1 :               0.00012850872920
                3p
                   -1 :              -0.00002533743463
                   +0 :               0.00006187436928
                   +1 :              -0.00016397985182
                3d
                   -2 :               0.00000981096052
                   -1 :              -0.00000709297054
                   +0 :              -0.00000839977939
                   +1 :              -0.00000828744334
                   +2 :               0.00000844073293
             12 vec=   -12.967456     -4.492178     -8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000617308229
                2s
                   +0 :               0.00003860657618
                3s
                   +0 :              -0.00003470827798
                2p
                   -1 :              -0.00004433147482
                   +0 :               0.00006015042531
                   +1 :               0.00002190215621
                3p
                   -1 :               0.00005600768110
                   +0 :              -0.00007163882086
                   +1 :               0.00000082198554
                3d
                   -2 :              -0.00001234999173
                   -1 :               0.00000181036083
                   +0 :               0.00000689549398
                   +1 :               0.00000827638466
                   +2 :              -0.00000069048636
             13 vec=     2.592869      4.491580     16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00001264602561
                2s
                   +0 :              -0.00010907559985
                3s
                   +0 :               0.00004066544282
                2p
                   -1 :               0.00005511984735
                   +0 :              -0.00006215926418
                   +1 :               0.00009995276843
                3p
                   -1 :              -0.00004186258617
                   +0 :               0.00001039973726
                   +1 :              -0.00006117823132
                3d
                   -2 :               0.00000325649948
                   -1 :              -0.00000151626358
                   +0 :              -0.00000665054734
                   +1 :              -0.00000017316064
                   +2 :               0.00000073115185
             14 vec=     2.592869     -4.492178     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00002476562393
                2s
                   +0 :              -0.00016193100746
                3s
                   +0 :               0.00007167370324
                2p
                   -1 :              -0.00010414382628
                   +0 :              -0.00019044003586
                   +1 :              -0.00001316191394
                3p
                   -1 :               0.00006288308582
                   +0 :               0.00014189261910
                   +1 :              -0.00001613749961
                3d
                   -2 :               0.00001064043431
                   -1 :               0.00000143203052
                   +0 :               0.00000335024553
                   +1 :              -0.00000672913042
                   +2 :               0.00000123223784
             15 vec=    -5.187294     -0.000299     16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001407512146
                2s
                   +0 :              -0.00006793697465
                3s
                   +0 :               0.00005736967635
                2p
                   -1 :              -0.00012821769333
                   +0 :              -0.00009987535083
                   +1 :               0.00016177685260
                3p
                   -1 :               0.00007777940387
                   +0 :               0.00011629570213
                   +1 :              -0.00014223133343
                3d
                   -2 :              -0.00000116194578
                   -1 :               0.00000135286889
                   +0 :               0.00000119151633
                   +1 :              -0.00000654525527
                   +2 :               0.00000403948100
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 21)  npairs=  15
              1 vec=     4.976970     -0.362794     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00009471659170
                2s
                   +0 :              -0.00130887926004
                3s
                   +0 :              -0.00007799220718
                2p
                   -1 :              -0.00320998891719
                   +0 :               0.00122430175705
                   +1 :              -0.00267120162565
                3p
                   -1 :               0.00201336308349
                   +0 :               0.00092025503256
                   +1 :               0.00077128464315
                3d
                   -2 :              -0.00006256592240
                   -1 :              -0.00014055510347
                   +0 :              -0.00002820140746
                   +1 :               0.00005954552958
                   +2 :              -0.00009555894418
              2 vec=    -2.803193      4.129085     -8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00035643782781
                2s
                   +0 :               0.00345019531049
                3s
                   +0 :              -0.00065392179016
                2p
                   -1 :              -0.00105295784455
                   +0 :              -0.00371945413860
                   +1 :              -0.00300746281152
                3p
                   -1 :               0.00078953769076
                   +0 :               0.00089282145265
                   +1 :               0.00042917667429
                3d
                   -2 :              -0.00001133348251
                   -1 :              -0.00003238323910
                   +0 :              -0.00007156075884
                   +1 :               0.00015172034249
                   +2 :               0.00003381247843
              3 vec=    -2.803193     -4.854673     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00013444741078
                2s
                   +0 :              -0.00077665617732
                3s
                   +0 :               0.00013699096158
                2p
                   -1 :               0.00203369551388
                   +0 :              -0.00044714614592
                   +1 :              -0.00125466979436
                3p
                   -1 :              -0.00116407791435
                   +0 :               0.00109590255059
                   +1 :               0.00096293466578
                3d
                   -2 :               0.00009322201921
                   -1 :               0.00001438705026
                   +0 :               0.00007194404922
                   +1 :               0.00005951478721
                   +2 :               0.00006068209459
              4 vec=     4.976970      8.620964     -8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00011687004957
                2s
                   +0 :               0.00102953838540
                3s
                   +0 :              -0.00037108670065
                2p
                   -1 :               0.00072091612160
                   +0 :              -0.00016812915078
                   +1 :               0.00013201346588
                3p
                   -1 :              -0.00053127711834
                   +0 :               0.00014573777614
                   +1 :              -0.00005087685009
                3d
                   -2 :              -0.00001021278509
                   -1 :               0.00004781656250
                   +0 :              -0.00000599473299
                   +1 :               0.00000658706604
                   +2 :               0.00000618391097
              5 vec=     4.976970     -9.346552     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00002957534765
                2s
                   +0 :              -0.00044336360147
                3s
                   +0 :               0.00003687711727
                2p
                   -1 :               0.00009291803756
                   +0 :              -0.00021153652619
                   +1 :               0.00004507810423
                3p
                   -1 :               0.00016065532362
                   +0 :               0.00027813454420
                   +1 :              -0.00010748326667
                3d
                   -2 :              -0.00001420156533
                   -1 :               0.00001722742195
                   +0 :               0.00002580041918
                   +1 :               0.00003670918264
                   +2 :               0.00002406446488
              6 vec=   -10.583355     -0.362794     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00001237925952
                2s
                   +0 :              -0.00015750974126
                3s
                   +0 :              -0.00003165839664
                2p
                   -1 :               0.00020538751036
                   +0 :              -0.00000598242032
                   +1 :               0.00013164214936
                3p
                   -1 :              -0.00021265738675
                   +0 :              -0.00005935141320
                   +1 :               0.00000776951115
                3d
                   -2 :              -0.00001645453473
                   -1 :               0.00000989602584
                   +0 :               0.00000811983723
                   +1 :              -0.00001287186696
                   +2 :              -0.00002868333550
              7 vec=    12.757133      4.129085     -8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00001337677575
                2s
                   +0 :              -0.00006896522310
                3s
                   +0 :               0.00006312372463
                2p
                   -1 :              -0.00025462493290
                   +0 :               0.00009882301347
                   +1 :              -0.00002328075050
                3p
                   -1 :               0.00019254457799
                   +0 :              -0.00009948290121
                   +1 :               0.00006153676759
                3d
                   -2 :              -0.00001077709991
                   -1 :               0.00000044026073
                   +0 :               0.00000942342807
                   +1 :              -0.00000390584862
                   +2 :               0.00000279661191
              8 vec=    -2.803193     13.112843     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00002109409819
                2s
                   +0 :               0.00021369616985
                3s
                   +0 :              -0.00004196878431
                2p
                   -1 :               0.00025654692104
                   +0 :              -0.00023965509401
                   +1 :              -0.00006649619037
                3p
                   -1 :              -0.00013447904047
                   +0 :               0.00015375888359
                   +1 :               0.00003497215307
                3d
                   -2 :              -0.00000603981187
                   -1 :               0.00000792892898
                   +0 :              -0.00001092318232
                   +1 :              -0.00000883397126
                   +2 :               0.00000200602228
              9 vec=    12.757133     -4.854673     -8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00003168130075
                2s
                   +0 :               0.00020376038434
                3s
                   +0 :              -0.00010076198260
                2p
                   -1 :               0.00000214798117
                   +0 :              -0.00002124862789
                   +1 :               0.00006687492915
                3p
                   -1 :              -0.00000084840807
                   +0 :              -0.00002037098846
                   +1 :              -0.00004172006837
                3d
                   -2 :              -0.00000286357474
                   -1 :               0.00001156276650
                   +0 :              -0.00000726100654
                   +1 :              -0.00000123086170
                   +2 :               0.00000927577837
             10 vec=   -10.583355      8.620964     -8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00004725889643
                2s
                   +0 :              -0.00031309785306
                3s
                   +0 :               0.00016776416967
                2p
                   -1 :              -0.00015186697517
                   +0 :               0.00001127215607
                   +1 :               0.00009765564317
                3p
                   -1 :               0.00013519133829
                   +0 :              -0.00003107889023
                   +1 :              -0.00007307914855
                3d
                   -2 :              -0.00000594824952
                   -1 :               0.00000746621336
                   +0 :               0.00000056309354
                   +1 :               0.00000382319672
                   +2 :              -0.00001341872823
             11 vec=    -2.803193    -13.838431     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00004116288810
                2s
                   +0 :               0.00017773728866
                3s
                   +0 :              -0.00015420062383
                2p
                   -1 :               0.00008135630674
                   +0 :              -0.00010392543135
                   +1 :              -0.00023665621674
                3p
                   -1 :               0.00000888864172
                   +0 :               0.00013240967901
                   +1 :               0.00021746713952
                3d
                   -2 :              -0.00000092003818
                   -1 :              -0.00000728875816
                   +0 :              -0.00000587742497
                   +1 :              -0.00001296264710
                   +2 :              -0.00000115593055
             12 vec=   -10.583355     -9.346552     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00003086599340
                2s
                   +0 :              -0.00022673231290
                3s
                   +0 :               0.00008064731547
                2p
                   -1 :               0.00024537391070
                   +0 :               0.00008064649480
                   +1 :               0.00016136296513
                3p
                   -1 :              -0.00019073238852
                   +0 :              -0.00001208924317
                   +1 :              -0.00007669541510
                3d
                   -2 :               0.00001094733528
                   -1 :               0.00001174373972
                   +0 :              -0.00001384250867
                   +1 :               0.00000077705555
                   +2 :              -0.00000330660690
             13 vec=     4.976970     -0.362794     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000321258886
                2s
                   +0 :               0.00004349074242
                3s
                   +0 :               0.00000297640814
                2p
                   -1 :              -0.00008813892832
                   +0 :              -0.00002979749819
                   +1 :              -0.00006190486245
                3p
                   -1 :               0.00005414758469
                   +0 :               0.00005671589354
                   +1 :               0.00005748475292
                3d
                   -2 :               0.00000529431038
                   -1 :               0.00000292497365
                   +0 :              -0.00000062921944
                   +1 :               0.00000244519190
                   +2 :              -0.00000457605092
             14 vec=    -2.803193      4.129085     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000203971036
                2s
                   +0 :               0.00000370620687
                3s
                   +0 :              -0.00000627619119
                2p
                   -1 :              -0.00005999145270
                   +0 :               0.00003396798900
                   +1 :              -0.00002493707320
                3p
                   -1 :               0.00005855297381
                   +0 :              -0.00002462758123
                   +1 :               0.00000910124246
                3d
                   -2 :               0.00000086655061
                   -1 :               0.00000311901688
                   +0 :              -0.00000880032494
                   +1 :              -0.00000373607970
                   +2 :              -0.00000370718818
             15 vec=    -2.803193     -4.854673     16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00001431432302
                2s
                   +0 :              -0.00009978771155
                3s
                   +0 :               0.00002306533114
                2p
                   -1 :               0.00002397684755
                   +0 :              -0.00009343533193
                   +1 :               0.00001898319713
                3p
                   -1 :              -0.00005632581276
                   +0 :               0.00002762195666
                   +1 :               0.00002654189233
                3d
                   -2 :               0.00000016372497
                   -1 :              -0.00000547514931
                   +0 :              -0.00000693221830
                   +1 :               0.00000654641856
                   +2 :              -0.00001246377884
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 22)  npairs=  14
              1 vec=     2.593388     -1.739555      4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00266884647064
                2s
                   +0 :              -0.03282787721397
                3s
                   +0 :               0.00501960794370
                2p
                   -1 :               0.00383603480012
                   +0 :              -0.01099302399370
                   +1 :              -0.00876820569965
                3p
                   -1 :              -0.00431221318053
                   +0 :              -0.00300705474088
                   +1 :              -0.00122663890158
                3d
                   -2 :              -0.00026176196871
                   -1 :              -0.00091001009904
                   +0 :              -0.00133037148291
                   +1 :              -0.00171533800798
                   +2 :              -0.00071561474823
              2 vec=    -5.186775      2.752324      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00054634968898
                2s
                   +0 :               0.00386256797606
                3s
                   +0 :              -0.00258101168927
                2p
                   -1 :               0.00378124221959
                   +0 :               0.00516532981541
                   +1 :              -0.00220089027201
                3p
                   -1 :              -0.00319200113808
                   +0 :              -0.00371828576005
                   +1 :               0.00140322291711
                3d
                   -2 :               0.00001935953174
                   -1 :              -0.00046564517067
                   +0 :              -0.00027474743096
                   +1 :               0.00058731510586
                   +2 :               0.00001548916430
              3 vec=     2.593388      7.244203      4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00003539987099
                2s
                   +0 :               0.00006075003863
                3s
                   +0 :               0.00014584096873
                2p
                   -1 :               0.00169556378959
                   +0 :               0.00340333168669
                   +1 :               0.00013434088739
                3p
                   -1 :              -0.00060221503075
                   +0 :              -0.00029621849208
                   +1 :              -0.00108990922719
                3d
                   -2 :              -0.00005269671696
                   -1 :              -0.00001066447334
                   +0 :               0.00013623285889
                   +1 :               0.00001340672249
                   +2 :               0.00005376609964
              4 vec=    -5.186775     -6.231434      4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00041448786347
                2s
                   +0 :              -0.00221358078549
                3s
                   +0 :               0.00097005591062
                2p
                   -1 :              -0.00114415429994
                   +0 :              -0.00233865937189
                   +1 :               0.00040274315421
                3p
                   -1 :               0.00094845947463
                   +0 :              -0.00011699307256
                   +1 :               0.00025666085894
                3d
                   -2 :              -0.00013822423532
                   -1 :               0.00013208945064
                   +0 :              -0.00007441184443
                   +1 :               0.00019713750961
                   +2 :               0.00004229809043
              5 vec=    10.373550      2.752324      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00003294850153
                2s
                   +0 :              -0.00002468789346
                3s
                   +0 :               0.00008899360829
                2p
                   -1 :              -0.00008232028650
                   +0 :              -0.00013525158875
                   +1 :               0.00043887100243
                3p
                   -1 :              -0.00005254741677
                   +0 :               0.00019188915380
                   +1 :              -0.00033252251504
                3d
                   -2 :              -0.00000150187449
                   -1 :              -0.00001828539485
                   +0 :               0.00001987219604
                   +1 :              -0.00001026103271
                   +2 :               0.00002282159125
              6 vec=     2.593388    -10.723313      4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00009995183611
                2s
                   +0 :              -0.00070820967016
                3s
                   +0 :               0.00021768083422
                2p
                   -1 :               0.00099125884614
                   +0 :              -0.00064603945682
                   +1 :              -0.00028146739921
                3p
                   -1 :              -0.00068038346716
                   +0 :               0.00049175173589
                   +1 :               0.00023035243876
                3d
                   -2 :               0.00001364466703
                   -1 :              -0.00001125511852
                   +0 :               0.00006191505206
                   +1 :               0.00001769793458
                   +2 :               0.00003240139308
              7 vec=    10.373550     -6.231434      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00003447738418
                2s
                   +0 :              -0.00032335919719
                3s
                   +0 :               0.00011680793828
                2p
                   -1 :               0.00010974268026
                   +0 :               0.00012386362003
                   +1 :               0.00011270963763
                3p
                   -1 :              -0.00009224488488
                   +0 :              -0.00009880688139
                   +1 :              -0.00015322731808
                3d
                   -2 :               0.00000711073532
                   -1 :               0.00002344716162
                   +0 :              -0.00001773981720
                   +1 :               0.00001961154308
                   +2 :              -0.00001322313782
              8 vec=    -5.186775     11.736082      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00002328663668
                2s
                   +0 :               0.00056787455034
                3s
                   +0 :               0.00006731248274
                2p
                   -1 :              -0.00010463899863
                   +0 :               0.00014748341665
                   +1 :              -0.00015284490882
                3p
                   -1 :               0.00030138385155
                   +0 :               0.00014959148310
                   +1 :               0.00006780499422
                3d
                   -2 :              -0.00000861395255
                   -1 :               0.00002229566677
                   +0 :               0.00002644896666
                   +1 :               0.00001839815576
                   +2 :              -0.00002400759599
              9 vec=   -12.966938     -1.739555      4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00007880348806
                2s
                   +0 :              -0.00061363223686
                3s
                   +0 :               0.00023543754747
                2p
                   -1 :              -0.00019529856006
                   +0 :              -0.00016519099835
                   +1 :               0.00031736865713
                3p
                   -1 :               0.00016533506320
                   +0 :               0.00007967749760
                   +1 :              -0.00009830505443
                3d
                   -2 :              -0.00003510438702
                   -1 :              -0.00000792925418
                   +0 :              -0.00000261900092
                   +1 :              -0.00001390501705
                   +2 :               0.00001582378533
             10 vec=   -12.966938      7.244203      4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00000323322380
                2s
                   +0 :               0.00003774776241
                3s
                   +0 :               0.00001812384468
                2p
                   -1 :              -0.00008164995555
                   +0 :               0.00009177194835
                   +1 :              -0.00024278093292
                3p
                   -1 :               0.00005871801382
                   +0 :              -0.00002879684151
                   +1 :               0.00011690978065
                3d
                   -2 :              -0.00000648709646
                   -1 :               0.00000152676608
                   +0 :               0.00000391355569
                   +1 :               0.00000211090474
                   +2 :              -0.00001068756631
             11 vec=    10.373550     11.736082      4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00002141307710
                2s
                   +0 :               0.00017945251673
                3s
                   +0 :              -0.00003866883897
                2p
                   -1 :               0.00007947518459
                   +0 :              -0.00017890831379
                   +1 :               0.00013090928471
                3p
                   -1 :              -0.00003279438770
                   +0 :               0.00015399880930
                   +1 :              -0.00000843780065
                3d
                   -2 :              -0.00000737008141
                   -1 :               0.00001480141841
                   +0 :               0.00000475769431
                   +1 :               0.00000656891085
                   +2 :              -0.00001137580831
             12 vec=    -5.186775    -15.215192      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00000311407134
                2s
                   +0 :              -0.00006353696099
                3s
                   +0 :               0.00003677937752
                2p
                   -1 :              -0.00003421978210
                   +0 :               0.00006367975322
                   +1 :               0.00002268031388
                3p
                   -1 :               0.00009963040446
                   +0 :              -0.00008990134037
                   +1 :               0.00003268226731
                3d
                   -2 :              -0.00001599603751
                   -1 :              -0.00001227275825
                   +0 :              -0.00000000515982
                   +1 :              -0.00000120962009
                   +2 :               0.00000483429247
             13 vec=     2.593388     16.227961      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00002100691823
                2s
                   +0 :               0.00016718228890
                3s
                   +0 :              -0.00004184647216
                2p
                   -1 :               0.00009821628107
                   +0 :              -0.00004134643649
                   +1 :              -0.00010433262014
                3p
                   -1 :              -0.00000631228898
                   +0 :               0.00003551195342
                   +1 :               0.00007881916350
                3d
                   -2 :               0.00000483152749
                   -1 :               0.00000157525016
                   +0 :               0.00000078993548
                   +1 :               0.00000200503346
                   +2 :              -0.00000387286703
             14 vec=   -12.966938    -10.723313      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000600932335
                2s
                   +0 :               0.00001831790147
                3s
                   +0 :              -0.00001793164817
                2p
                   -1 :              -0.00004969818003
                   +0 :              -0.00007277437252
                   +1 :               0.00009694453676
                3p
                   -1 :               0.00004724630876
                   +0 :               0.00007657301656
                   +1 :              -0.00005625089191
                3d
                   -2 :               0.00000006479632
                   -1 :               0.00000281775354
                   +0 :               0.00000342605218
                   +1 :              -0.00000280607132
                   +2 :               0.00000075254997
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 23)  npairs=  14
              1 vec=    -0.419610      2.752324      4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00115398614670
                2s
                   +0 :               0.04704285890421
                3s
                   +0 :              -0.00180768277526
                2p
                   -1 :               0.01220475747028
                   +0 :               0.03699006835476
                   +1 :              -0.00269372941686
                3p
                   -1 :              -0.00113092396494
                   +0 :              -0.00608638179664
                   +1 :               0.00188134898159
                3d
                   -2 :              -0.00013339761175
                   -1 :               0.00023458845549
                   +0 :               0.00132451976905
                   +1 :               0.00028119956687
                   +2 :              -0.00069102156464
              2 vec=    -0.419610     -6.231434      4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00033567995134
                2s
                   +0 :               0.00179038292829
                3s
                   +0 :              -0.00117210266316
                2p
                   -1 :               0.00180070504965
                   +0 :               0.00506266609595
                   +1 :              -0.00310017516319
                3p
                   -1 :               0.00033540488284
                   +0 :              -0.00562872484546
                   +1 :               0.00321028290274
                3d
                   -2 :               0.00001162802158
                   -1 :              -0.00033030294808
                   +0 :              -0.00016855890195
                   +1 :              -0.00020420886635
                   +2 :              -0.00016742280782
              3 vec=     7.360553     -1.739555      4.091257   |vec|=    8.598963
                1s
                   +0 :              -0.00009120398943
                2s
                   +0 :               0.00095095455571
                3s
                   +0 :              -0.00071756492571
                2p
                   -1 :              -0.00090287374074
                   +0 :               0.00510649589313
                   +1 :              -0.00002976605044
                3p
                   -1 :               0.00034887553657
                   +0 :              -0.00284205674963
                   +1 :              -0.00055180592425
                3d
                   -2 :               0.00008031511284
                   -1 :              -0.00001407718143
                   +0 :               0.00011969892474
                   +1 :              -0.00030798404846
                   +2 :              -0.00009449347922
              4 vec=    -8.199773     -1.739555      4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00003969455965
                2s
                   +0 :              -0.00031927526749
                3s
                   +0 :              -0.00003777073689
                2p
                   -1 :              -0.00155785092293
                   +0 :              -0.00015723946622
                   +1 :              -0.00063545361038
                3p
                   -1 :               0.00129796690329
                   +0 :               0.00061272882022
                   +1 :               0.00098675798411
                3d
                   -2 :              -0.00012079503786
                   -1 :              -0.00000254345275
                   +0 :               0.00005933888325
                   +1 :              -0.00001640230608
                   +2 :              -0.00006620242353
              5 vec=     7.360553      7.244203      4.091257   |vec|=   11.108312
                1s
                   +0 :               0.00018433221443
                2s
                   +0 :              -0.00081087109353
                3s
                   +0 :               0.00061003882689
                2p
                   -1 :               0.00022735675896
                   +0 :               0.00067557097134
                   +1 :              -0.00032669847524
                3p
                   -1 :              -0.00004840885358
                   +0 :              -0.00016619923838
                   +1 :               0.00067769087889
                3d
                   -2 :               0.00001365532514
                   -1 :              -0.00000589658786
                   +0 :              -0.00000720985371
                   +1 :              -0.00000114639097
                   +2 :               0.00001796472369
              6 vec=    -8.199773      7.244203      4.091257   |vec|=   11.681316
                1s
                   +0 :               0.00008489739977
                2s
                   +0 :              -0.00032665983050
                3s
                   +0 :               0.00020015909460
                2p
                   -1 :               0.00017379480885
                   +0 :              -0.00021445208118
                   +1 :               0.00063918325227
                3p
                   -1 :              -0.00018658846161
                   +0 :               0.00017074253411
                   +1 :              -0.00077793442468
                3d
                   -2 :              -0.00001687352432
                   -1 :               0.00000489045833
                   +0 :              -0.00007143371770
                   +1 :               0.00004258997078
                   +2 :              -0.00001631930464
              7 vec=    -0.419610     11.736082      4.091257   |vec|=   12.435838
                1s
                   +0 :              -0.00003149748395
                2s
                   +0 :               0.00060984293235
                3s
                   +0 :              -0.00006763490002
                2p
                   -1 :               0.00086029448217
                   +0 :               0.00068989229440
                   +1 :               0.00029496161634
                3p
                   -1 :              -0.00071530306843
                   +0 :              -0.00053633537112
                   +1 :              -0.00021588606345
                3d
                   -2 :               0.00001109980710
                   -1 :              -0.00004957449708
                   +0 :              -0.00001194777375
                   +1 :              -0.00000461646811
                   +2 :               0.00001414422339
              8 vec=     7.360553    -10.723313      4.091257   |vec|=   13.634719
                1s
                   +0 :               0.00001311823193
                2s
                   +0 :              -0.00049987075774
                3s
                   +0 :              -0.00002708858751
                2p
                   -1 :               0.00027708282671
                   +0 :              -0.00050141634486
                   +1 :              -0.00019648234919
                3p
                   -1 :              -0.00017371675166
                   +0 :              -0.00003630363706
                   +1 :              -0.00010596492854
                3d
                   -2 :               0.00000624178024
                   -1 :               0.00000485957432
                   +0 :              -0.00000870441786
                   +1 :              -0.00002773979020
                   +2 :              -0.00001241179490
              9 vec=    -8.199773    -10.723313      4.091257   |vec|=   14.105463
                1s
                   +0 :               0.00006084956675
                2s
                   +0 :              -0.00056874426268
                3s
                   +0 :               0.00013783748691
                2p
                   -1 :               0.00003028087918
                   +0 :              -0.00048934041656
                   +1 :               0.00061182470423
                3p
                   -1 :               0.00002251580362
                   +0 :               0.00022198320506
                   +1 :              -0.00032253704997
                3d
                   -2 :               0.00001654875870
                   -1 :              -0.00001519298117
                   +0 :              -0.00001645188368
                   +1 :              -0.00002461550396
                   +2 :               0.00002397613823
             10 vec=    -0.419610    -15.215192      4.091257   |vec|=   15.761235
                1s
                   +0 :              -0.00001576024237
                2s
                   +0 :               0.00003977165504
                3s
                   +0 :              -0.00005966233781
                2p
                   -1 :              -0.00004873409537
                   +0 :              -0.00013616777625
                   +1 :              -0.00017657105595
                3p
                   -1 :               0.00007821301128
                   +0 :               0.00006127285925
                   +1 :               0.00017058831263
                3d
                   -2 :              -0.00001238847404
                   -1 :              -0.00001405540062
                   +0 :              -0.00000143788818
                   +1 :               0.00000508087302
                   +2 :               0.00001704970639
             11 vec=    15.140715      2.752324      4.091257   |vec|=   15.923408
                1s
                   +0 :              -0.00000993289572
                2s
                   +0 :               0.00008448389542
                3s
                   +0 :              -0.00002529545942
                2p
                   -1 :              -0.00003107321381
                   +0 :               0.00002007397166
                   +1 :               0.00004087677651
                3p
                   -1 :              -0.00002608261959
                   +0 :               0.00000959476536
                   +1 :               0.00000019564554
                3d
                   -2 :               0.00000357221123
                   -1 :              -0.00000316835039
                   +0 :              -0.00000867045501
                   +1 :              -0.00000269283287
                   +2 :               0.00000531153785
             12 vec=   -15.979935      2.752324      4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00000160968741
                2s
                   +0 :               0.00003641527576
                3s
                   +0 :              -0.00001190544049
                2p
                   -1 :              -0.00017545292033
                   +0 :              -0.00003503829765
                   +1 :              -0.00007090941630
                3p
                   -1 :               0.00010555155750
                   +0 :               0.00004637203070
                   +1 :               0.00005681168145
                3d
                   -2 :               0.00000074752203
                   -1 :              -0.00000383459489
                   +0 :               0.00000519620118
                   +1 :               0.00000191458360
                   +2 :              -0.00000168557054
             13 vec=    15.140715     -6.231434      4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00001018314538
                2s
                   +0 :              -0.00008542656527
                3s
                   +0 :               0.00002410081491
                2p
                   -1 :              -0.00003668479267
                   +0 :              -0.00003832714555
                   +1 :              -0.00019090057593
                3p
                   -1 :               0.00003824725561
                   +0 :               0.00000800004991
                   +1 :               0.00012762593182
                3d
                   -2 :               0.00000543294795
                   -1 :               0.00000028671501
                   +0 :               0.00000077937520
                   +1 :               0.00000071633797
                   +2 :               0.00000619728003
             14 vec=   -15.979935     -6.231434      4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00000609020439
                2s
                   +0 :              -0.00007051426592
                3s
                   +0 :              -0.00000054404426
                2p
                   -1 :               0.00002185172053
                   +0 :              -0.00007983036049
                   +1 :               0.00004375103481
                3p
                   -1 :              -0.00001327871822
                   +0 :               0.00004463039766
                   +1 :               0.00001847540712
                3d
                   -2 :               0.00000655787802
                   -1 :               0.00000208764994
                   +0 :               0.00000196205431
                   +1 :              -0.00000356005688
                   +2 :               0.00000057900473
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 24)  npairs=  14
              1 vec=    -2.803193     -1.376162      4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00192537860927
                2s
                   +0 :              -0.02535573870847
                3s
                   +0 :               0.00455951357252
                2p
                   -1 :               0.00725774417564
                   +0 :              -0.00987735289229
                   +1 :               0.01241664669301
                3p
                   -1 :              -0.00930905061165
                   +0 :              -0.00050631300539
                   +1 :              -0.00297386109355
                3d
                   -2 :               0.00041818791865
                   -1 :              -0.00126636976962
                   +0 :              -0.00040749566944
                   +1 :               0.00127752959943
                   +2 :              -0.00078086055093
              2 vec=     4.976970      3.115717      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00029435602250
                2s
                   +0 :               0.00110756179414
                3s
                   +0 :              -0.00116097556335
                2p
                   -1 :               0.00494369193373
                   +0 :              -0.00065577553426
                   +1 :               0.00084658774831
                3p
                   -1 :              -0.00486637716388
                   +0 :               0.00087805731198
                   +1 :              -0.00043315095870
                3d
                   -2 :              -0.00005762372639
                   -1 :              -0.00002694405821
                   +0 :               0.00016114895971
                   +1 :              -0.00022190521189
                   +2 :              -0.00008873629057
              3 vec=     4.976970     -5.868041      4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00010201813635
                2s
                   +0 :               0.00119423992757
                3s
                   +0 :              -0.00039672156850
                2p
                   -1 :               0.00062622682771
                   +0 :              -0.00098108450546
                   +1 :               0.00011207549087
                3p
                   -1 :              -0.00054690188856
                   +0 :               0.00007471413625
                   +1 :              -0.00050238925089
                3d
                   -2 :              -0.00008140621956
                   -1 :               0.00003275954844
                   +0 :              -0.00010603607984
                   +1 :              -0.00012505997830
                   +2 :              -0.00013403589450
              4 vec=    -2.803193      7.607596      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00016644370594
                2s
                   +0 :               0.00081276795012
                3s
                   +0 :              -0.00028997083537
                2p
                   -1 :               0.00125844212316
                   +0 :               0.00296129970276
                   +1 :               0.00066849466405
                3p
                   -1 :              -0.00059508975815
                   +0 :              -0.00167852694329
                   +1 :               0.00000669589905
                3d
                   -2 :              -0.00004019277262
                   -1 :              -0.00005226862966
                   +0 :               0.00000383093338
                   +1 :              -0.00007420022718
                   +2 :               0.00001228592646
              5 vec=    -2.803193    -10.359920      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00014310255420
                2s
                   +0 :              -0.00126581764553
                3s
                   +0 :               0.00047276973419
                2p
                   -1 :               0.00170651369098
                   +0 :              -0.00006075089192
                   +1 :              -0.00011117936783
                3p
                   -1 :              -0.00119797752855
                   +0 :              -0.00018332145231
                   +1 :               0.00030799855435
                3d
                   -2 :              -0.00003541860570
                   -1 :               0.00009908387898
                   +0 :               0.00000301127810
                   +1 :               0.00010703821178
                   +2 :              -0.00007409978317
              6 vec=   -10.583355      3.115717      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00004993891309
                2s
                   +0 :               0.00048885163383
                3s
                   +0 :              -0.00016328649239
                2p
                   -1 :               0.00036289902181
                   +0 :               0.00018760455253
                   +1 :              -0.00013652303040
                3p
                   -1 :              -0.00043937193765
                   +0 :              -0.00013801077709
                   +1 :               0.00005424953721
                3d
                   -2 :              -0.00002031461578
                   -1 :              -0.00001394679390
                   +0 :               0.00005153985542
                   +1 :               0.00001536556108
                   +2 :               0.00002467180275
              7 vec=   -10.583355     -5.868041      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00004949573878
                2s
                   +0 :              -0.00059682819623
                3s
                   +0 :               0.00012255336432
                2p
                   -1 :               0.00042798606970
                   +0 :              -0.00026055708933
                   +1 :               0.00032064136775
                3p
                   -1 :              -0.00023559391657
                   +0 :               0.00009601141687
                   +1 :              -0.00021180686592
                3d
                   -2 :              -0.00000310020605
                   -1 :               0.00001527884852
                   +0 :               0.00000298893475
                   +1 :              -0.00003107987484
                   +2 :              -0.00002681213201
              8 vec=    12.757133     -1.376162      4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00007979607447
                2s
                   +0 :              -0.00058898383257
                3s
                   +0 :               0.00025042994992
                2p
                   -1 :              -0.00033201502623
                   +0 :              -0.00004894365064
                   +1 :              -0.00041917084691
                3p
                   -1 :               0.00026558871847
                   +0 :              -0.00001190837254
                   +1 :               0.00020123090798
                3d
                   -2 :              -0.00000073353166
                   -1 :              -0.00001430479952
                   +0 :              -0.00003334687592
                   +1 :               0.00000604866913
                   +2 :              -0.00001443643506
              9 vec=     4.976970     12.099475      4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00003817862706
                2s
                   +0 :               0.00069736290501
                3s
                   +0 :               0.00003328455985
                2p
                   -1 :              -0.00013640292820
                   +0 :               0.00029160851054
                   +1 :               0.00003636417801
                3p
                   -1 :               0.00040178765694
                   +0 :               0.00008043237981
                   +1 :               0.00004297883176
                3d
                   -2 :               0.00000344383594
                   -1 :               0.00001577627918
                   +0 :               0.00001022394346
                   +1 :              -0.00002478898667
                   +2 :              -0.00001281969241
             10 vec=    12.757133      7.607596      4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00002365436140
                2s
                   +0 :               0.00016283785780
                3s
                   +0 :              -0.00004382120391
                2p
                   -1 :               0.00001939644375
                   +0 :               0.00001977032265
                   +1 :               0.00024086346804
                3p
                   -1 :              -0.00001458769951
                   +0 :               0.00000404977405
                   +1 :              -0.00011149563165
                3d
                   -2 :               0.00000201126773
                   -1 :               0.00000374660432
                   +0 :               0.00000582897599
                   +1 :              -0.00000411041234
                   +2 :              -0.00000796604899
             11 vec=     4.976970    -14.851799      4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00002399157953
                2s
                   +0 :               0.00008099075534
                3s
                   +0 :              -0.00004860265209
                2p
                   -1 :               0.00016381225630
                   +0 :              -0.00012342443703
                   +1 :              -0.00009493842179
                3p
                   -1 :              -0.00003808119050
                   +0 :               0.00005106671610
                   +1 :               0.00003686955969
                3d
                   -2 :              -0.00000153178457
                   -1 :              -0.00001137909327
                   +0 :               0.00000642826265
                   +1 :               0.00000751868931
                   +2 :              -0.00000757889943
             12 vec=   -10.583355     12.099475      4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00003031215790
                2s
                   +0 :               0.00021770762232
                3s
                   +0 :              -0.00006137178459
                2p
                   -1 :               0.00000449624982
                   +0 :              -0.00011375089334
                   +1 :              -0.00003048791047
                3p
                   -1 :               0.00002872172394
                   +0 :               0.00012369571769
                   +1 :              -0.00005731026560
                3d
                   -2 :               0.00001103747300
                   -1 :               0.00000051812355
                   +0 :               0.00000592958468
                   +1 :              -0.00000895094379
                   +2 :               0.00001255566385
             13 vec=    12.757133    -10.359920      4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00002149096729
                2s
                   +0 :              -0.00014268269987
                3s
                   +0 :               0.00006417465358
                2p
                   -1 :               0.00008857186646
                   +0 :              -0.00006753718778
                   +1 :              -0.00010209287179
                3p
                   -1 :              -0.00006887123006
                   +0 :               0.00002998523362
                   +1 :               0.00005847974362
                3d
                   -2 :              -0.00000082297158
                   -1 :               0.00000235430436
                   +0 :              -0.00000579100228
                   +1 :              -0.00000309998295
                   +2 :               0.00000001386544
             14 vec=    -2.803193     16.591354      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00001443130095
                2s
                   +0 :               0.00013843845977
                3s
                   +0 :              -0.00002576979858
                2p
                   -1 :               0.00000639688812
                   +0 :              -0.00002125740087
                   +1 :              -0.00000422960381
                3p
                   -1 :               0.00007160376875
                   +0 :               0.00004541131577
                   +1 :              -0.00000190282488
                3d
                   -2 :               0.00000037163828
                   -1 :               0.00000304060795
                   +0 :               0.00000639926542
                   +1 :              -0.00000172244554
                   +2 :              -0.00000054208998
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 25)  npairs=  12
              1 vec=     4.767165      0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00103363908043
                2s
                   +0 :              -0.00306942727916
                3s
                   +0 :               0.00203008281460
                2p
                   -1 :              -0.01167044331073
                   +0 :               0.00188035097891
                   +1 :               0.00587430620901
                3p
                   -1 :               0.00038528296104
                   +0 :               0.00000200646603
                   +1 :              -0.00322945068325
                3d
                   -2 :              -0.00125002298635
                   -1 :               0.00009287520724
                   +0 :               0.00072531669780
                   +1 :               0.00002095763533
                   +2 :              -0.00007053843158
              2 vec=    -3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00010586733720
                2s
                   +0 :              -0.03671400516821
                3s
                   +0 :              -0.00501610035766
                2p
                   -1 :               0.02045793057425
                   +0 :              -0.00618147224481
                   +1 :               0.01699836241819
                3p
                   -1 :               0.00581769087474
                   +0 :               0.00639416568378
                   +1 :               0.00739031519794
                3d
                   -2 :              -0.00318801062489
                   -1 :              -0.00078184759740
                   +0 :               0.00179419448199
                   +1 :              -0.00033962165314
                   +2 :               0.00098660419825
              3 vec=    -3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00235399599214
                2s
                   +0 :               0.04776875190822
                3s
                   +0 :              -0.00356863217607
                2p
                   -1 :               0.02477001309994
                   +0 :              -0.00084301653243
                   +1 :              -0.02109078414131
                3p
                   -1 :               0.00170487691279
                   +0 :               0.00139602249235
                   +1 :               0.00254656212995
                3d
                   -2 :              -0.00204725484720
                   -1 :               0.00085983926706
                   +0 :              -0.00116248811608
                   +1 :               0.00051138947470
                   +2 :              -0.00089272743997
              4 vec=     4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00099532140815
                2s
                   +0 :              -0.00846143368276
                3s
                   +0 :               0.00214556820679
                2p
                   -1 :               0.00554480930790
                   +0 :              -0.00009120720721
                   +1 :              -0.00639031985118
                3p
                   -1 :               0.00003230499655
                   +0 :               0.00014765751337
                   +1 :               0.00237382131139
                3d
                   -2 :               0.00026953695395
                   -1 :              -0.00020221355374
                   +0 :               0.00041511376188
                   +1 :               0.00000123502890
                   +2 :               0.00034764702961
              5 vec=     4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00041849130637
                2s
                   +0 :               0.00510659554231
                3s
                   +0 :              -0.00029388418613
                2p
                   -1 :               0.00678830768769
                   +0 :               0.00057646043441
                   +1 :               0.00254844672924
                3p
                   -1 :              -0.00082359241718
                   +0 :              -0.00015960809105
                   +1 :              -0.00022284301856
                3d
                   -2 :               0.00027507375091
                   -1 :               0.00006910982899
                   +0 :              -0.00010459796378
                   +1 :               0.00004466028528
                   +2 :              -0.00018299449292
              6 vec=   -10.793160     -0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00020286270615
                2s
                   +0 :               0.00100335215373
                3s
                   +0 :              -0.00072256452368
                2p
                   -1 :              -0.00119915282194
                   +0 :               0.00060332653897
                   +1 :              -0.00056771629671
                3p
                   -1 :               0.00057357465764
                   +0 :              -0.00057142864063
                   +1 :               0.00056921236966
                3d
                   -2 :               0.00001605207997
                   -1 :              -0.00006784397113
                   +0 :               0.00003777989113
                   +1 :               0.00002504387120
                   +2 :              -0.00008485890376
              7 vec=    12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00004654011671
                2s
                   +0 :               0.00011059275018
                3s
                   +0 :              -0.00012024989656
                2p
                   -1 :              -0.00008163232589
                   +0 :               0.00018430029124
                   +1 :              -0.00014956045786
                3p
                   -1 :               0.00006776518933
                   +0 :              -0.00016776140271
                   +1 :               0.00004061036929
                3d
                   -2 :               0.00000644792553
                   -1 :               0.00001648372079
                   +0 :              -0.00001429715616
                   +1 :              -0.00000310965089
                   +2 :              -0.00000212247706
              8 vec=    12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00000575411913
                2s
                   +0 :               0.00052682850950
                3s
                   +0 :               0.00007184789479
                2p
                   -1 :               0.00006203060539
                   +0 :               0.00016708179683
                   +1 :               0.00023214971073
                3p
                   -1 :              -0.00005621085131
                   +0 :              -0.00014957889909
                   +1 :               0.00025312172265
                3d
                   -2 :               0.00000962781495
                   -1 :              -0.00000505951671
                   +0 :              -0.00000333871513
                   +1 :              -0.00000780391646
                   +2 :               0.00005146776822
              9 vec=    -3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00006034758158
                2s
                   +0 :              -0.00089705686462
                3s
                   +0 :               0.00016558315530
                2p
                   -1 :               0.00068149431911
                   +0 :              -0.00008776341747
                   +1 :              -0.00039014117343
                3p
                   -1 :              -0.00019707424552
                   +0 :               0.00006038599591
                   +1 :               0.00023110056742
                3d
                   -2 :              -0.00000746214047
                   -1 :              -0.00002030478193
                   +0 :               0.00001655359639
                   +1 :               0.00002640150976
                   +2 :               0.00000728549983
             10 vec=    -3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00003337460343
                2s
                   +0 :               0.00066448960909
                3s
                   +0 :               0.00000714402560
                2p
                   -1 :               0.00053975975143
                   +0 :               0.00003903115613
                   +1 :              -0.00038568097304
                3p
                   -1 :              -0.00000629429172
                   +0 :              -0.00001996212478
                   +1 :               0.00033375350714
                3d
                   -2 :               0.00004380431774
                   -1 :               0.00000952277263
                   +0 :              -0.00002874238267
                   +1 :               0.00000825414389
                   +2 :              -0.00001435930392
             11 vec=   -10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00002878931072
                2s
                   +0 :               0.00005029677672
                3s
                   +0 :              -0.00007270169135
                2p
                   -1 :              -0.00007992716762
                   +0 :               0.00016409124366
                   +1 :              -0.00013762708365
                3p
                   -1 :              -0.00004707368102
                   +0 :              -0.00014479561253
                   +1 :               0.00012120425409
                3d
                   -2 :               0.00002557491776
                   -1 :               0.00000099597157
                   +0 :               0.00000121749740
                   +1 :               0.00000668749826
                   +2 :              -0.00000278366070
             12 vec=   -10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00005902139018
                2s
                   +0 :               0.00063663096839
                3s
                   +0 :              -0.00011681082056
                2p
                   -1 :              -0.00007216669558
                   +0 :              -0.00023975601189
                   +1 :              -0.00057860897667
                3p
                   -1 :              -0.00005859781586
                   +0 :               0.00021434677678
                   +1 :               0.00023954083856
                3d
                   -2 :               0.00002337863317
                   -1 :               0.00001062788866
                   +0 :               0.00000231969656
                   +1 :               0.00000139234932
                   +2 :              -0.00000276103263
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 26)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00090757934460
                2s
                   +0 :               0.00035798636266
                3s
                   +0 :               0.00392507342948
                2p
                   -1 :               0.87859926611492
                   +0 :              -0.02544530746911
                   +1 :              -0.00817598693840
                3p
                   -1 :              -0.04296882525956
                   +0 :               0.00946590114241
                   +1 :               0.00346292747169
                3d
                   -2 :               0.00071318378329
                   -1 :              -0.00246905295865
                   +0 :               0.00080025352056
                   +1 :              -0.00181302709652
                   +2 :               0.00287320967444
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028463813460
                2s
                   +0 :              -0.00107779240521
                3s
                   +0 :               0.00016825311491
                2p
                   -1 :              -0.00123586090034
                   +0 :              -0.00001864809944
                   +1 :               0.00168976939904
                3p
                   -1 :              -0.00068188105436
                   +0 :              -0.00004694093972
                   +1 :               0.00056404290432
                3d
                   -2 :               0.00028183313703
                   -1 :               0.00000930775970
                   +0 :               0.00005898302567
                   +1 :              -0.00020969751593
                   +2 :              -0.00032084564281
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027813610086
                2s
                   +0 :               0.00176641252564
                3s
                   +0 :              -0.00082058913832
                2p
                   -1 :              -0.00239554975950
                   +0 :               0.00001096608182
                   +1 :              -0.00379958967777
                3p
                   -1 :               0.00071708405515
                   +0 :              -0.00008245280793
                   +1 :               0.00166408084334
                3d
                   -2 :              -0.00003022328647
                   -1 :               0.00007388526746
                   +0 :               0.00008652476215
                   +1 :              -0.00001161977768
                   +2 :               0.00007451215769
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00009105096873
                2s
                   +0 :              -0.00019320188298
                3s
                   +0 :              -0.00017083179773
                2p
                   -1 :              -0.00026455480549
                   +0 :               0.00001471176492
                   +1 :               0.00242233837545
                3p
                   -1 :               0.00133806575885
                   +0 :               0.00001792465391
                   +1 :              -0.00089506360398
                3d
                   -2 :              -0.00011793013895
                   -1 :              -0.00001721172741
                   +0 :              -0.00014816424652
                   +1 :               0.00014737024895
                   +2 :               0.00023290646547
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027633519788
                2s
                   +0 :               0.00159372445213
                3s
                   +0 :              -0.00044496052810
                2p
                   -1 :               0.00133424700320
                   +0 :              -0.00136145469370
                   +1 :               0.00064076060738
                3p
                   -1 :               0.00004863790386
                   +0 :               0.00122144775123
                   +1 :              -0.00128003966974
                3d
                   -2 :              -0.00023886119025
                   -1 :              -0.00000784095716
                   +0 :              -0.00012970722184
                   +1 :               0.00000162279776
                   +2 :               0.00013514107952
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00036933382294
                2s
                   +0 :              -0.00185258573498
                3s
                   +0 :               0.00118908913604
                2p
                   -1 :              -0.00185989353260
                   +0 :              -0.00027268224101
                   +1 :              -0.00192660572528
                3p
                   -1 :               0.00018471336215
                   +0 :               0.00035850053962
                   +1 :               0.00145267331396
                3d
                   -2 :              -0.00019184524918
                   -1 :              -0.00004475505567
                   +0 :               0.00000638342344
                   +1 :              -0.00001986096791
                   +2 :               0.00000354937323
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00008327518879
                2s
                   +0 :               0.00064713975800
                3s
                   +0 :               0.00005063194667
                2p
                   -1 :              -0.00240152928933
                   +0 :               0.00045495744764
                   +1 :               0.00373898057855
                3p
                   -1 :               0.00037928204411
                   +0 :              -0.00043615211022
                   +1 :              -0.00109825919896
                3d
                   -2 :              -0.00012573203042
                   -1 :              -0.00004726692645
                   +0 :               0.00002112019547
                   +1 :              -0.00003014606842
                   +2 :               0.00007219755371
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001222434606
                2s
                   +0 :              -0.00007927695995
                3s
                   +0 :               0.00004002291373
                2p
                   -1 :              -0.00003137344732
                   +0 :               0.00013165775976
                   +1 :              -0.00009399574558
                3p
                   -1 :              -0.00001226356944
                   +0 :              -0.00011867360468
                   +1 :               0.00010734468561
                3d
                   -2 :              -0.00001120986676
                   -1 :               0.00000062721521
                   +0 :               0.00001741891350
                   +1 :               0.00000911347750
                   +2 :              -0.00001691066314
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000664037095
                2s
                   +0 :              -0.00060270118896
                3s
                   +0 :              -0.00004899812917
                2p
                   -1 :               0.00090951007186
                   +0 :               0.00038410777775
                   +1 :               0.00074602162948
                3p
                   -1 :              -0.00025530207088
                   +0 :              -0.00037828018284
                   +1 :              -0.00027879665242
                3d
                   -2 :               0.00000953359989
                   -1 :               0.00005193580028
                   +0 :              -0.00001279801929
                   +1 :               0.00000840837461
                   +2 :               0.00003355809984
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00005861522657
                2s
                   +0 :               0.00085083490492
                3s
                   +0 :              -0.00006044527945
                2p
                   -1 :               0.00081752366278
                   +0 :              -0.00016050186151
                   +1 :              -0.00030764193070
                3p
                   -1 :              -0.00007775672545
                   +0 :               0.00009832853300
                   +1 :              -0.00001932269342
                3d
                   -2 :              -0.00003041384757
                   -1 :               0.00000010902131
                   +0 :              -0.00001926789138
                   +1 :              -0.00000558855081
                   +2 :              -0.00002353768565
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00007138558909
                2s
                   +0 :              -0.00100156936849
                3s
                   +0 :               0.00009651646895
                2p
                   -1 :               0.00085983984496
                   +0 :              -0.00015850257212
                   +1 :              -0.00094713943089
                3p
                   -1 :              -0.00010479508570
                   +0 :               0.00010579563026
                   +1 :               0.00025584717586
                3d
                   -2 :               0.00003900058073
                   -1 :              -0.00000281698031
                   +0 :               0.00000785794120
                   +1 :               0.00000497656996
                   +2 :               0.00002511316534
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00009900399764
                2s
                   +0 :               0.00114351035067
                3s
                   +0 :              -0.00016325105597
                2p
                   -1 :               0.00083554725986
                   +0 :               0.00006615391300
                   +1 :               0.00060027899376
                3p
                   -1 :              -0.00006465969110
                   +0 :              -0.00007074502531
                   +1 :              -0.00007673896166
                3d
                   -2 :               0.00005200376909
                   -1 :              -0.00001870482572
                   +0 :              -0.00003442971370
                   +1 :               0.00001305627935
                   +2 :              -0.00001710461344
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003477791654
                2s
                   +0 :               0.00023420192502
                3s
                   +0 :              -0.00011725888291
                2p
                   -1 :              -0.00012064825112
                   +0 :              -0.00016464734454
                   +1 :               0.00026963005493
                3p
                   -1 :               0.00006343444685
                   +0 :               0.00014547648096
                   +1 :              -0.00019182267088
                3d
                   -2 :               0.00000402412039
                   -1 :               0.00000073583709
                   +0 :               0.00000630439658
                   +1 :              -0.00000267158464
                   +2 :              -0.00001234188325
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001100222658
                2s
                   +0 :              -0.00009296542195
                3s
                   +0 :               0.00001651738209
                2p
                   -1 :               0.00005755145489
                   +0 :               0.00003754588535
                   +1 :               0.00002742620713
                3p
                   -1 :              -0.00000775381640
                   +0 :              -0.00002597531231
                   +1 :               0.00000733507336
                3d
                   -2 :               0.00000063217801
                   -1 :               0.00000382390434
                   +0 :               0.00000082097508
                   +1 :               0.00000320710569
                   +2 :               0.00000274193783
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000480526213
                2s
                   +0 :               0.00001012546367
                3s
                   +0 :               0.00002914960227
                2p
                   -1 :              -0.00001742861553
                   +0 :              -0.00003962326745
                   +1 :              -0.00002410727284
                3p
                   -1 :               0.00001821935024
                   +0 :               0.00002872185978
                   +1 :              -0.00003990611805
                3d
                   -2 :              -0.00000001853552
                   -1 :               0.00000094212581
                   +0 :              -0.00000079615584
                   +1 :              -0.00000161325835
                   +2 :               0.00000469305377
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001446562094
                2s
                   +0 :              -0.00017742583507
                3s
                   +0 :               0.00002698706433
                2p
                   -1 :               0.00015579777659
                   +0 :              -0.00002531182003
                   +1 :              -0.00000810343251
                3p
                   -1 :              -0.00000398982576
                   +0 :               0.00001754215511
                   +1 :               0.00000386066382
                3d
                   -2 :               0.00000071395639
                   -1 :              -0.00000385043205
                   +0 :               0.00000614008397
                   +1 :              -0.00000456768031
                   +2 :              -0.00000266209061
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002582761684
                2s
                   +0 :               0.00026580932450
                3s
                   +0 :              -0.00006445185347
                2p
                   -1 :               0.00022609492148
                   +0 :               0.00003095957648
                   +1 :               0.00004223340399
                3p
                   -1 :              -0.00005702929337
                   +0 :              -0.00003095100376
                   +1 :              -0.00002731706850
                3d
                   -2 :              -0.00000151085754
                   -1 :              -0.00000461226027
                   +0 :              -0.00000322353754
                   +1 :               0.00000345751319
                   +2 :               0.00000156013581
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001807645963
                2s
                   +0 :              -0.00016099150758
                3s
                   +0 :               0.00004117667487
                2p
                   -1 :              -0.00000686916428
                   +0 :               0.00004326340366
                   +1 :              -0.00017675579273
                3p
                   -1 :               0.00000987935498
                   +0 :              -0.00004084589441
                   +1 :               0.00007155962764
                3d
                   -2 :               0.00000040184990
                   -1 :               0.00000216535233
                   +0 :               0.00000257821278
                   +1 :              -0.00000331141147
                   +2 :              -0.00000102033915
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000555802449
                2s
                   +0 :               0.00006594027298
                3s
                   +0 :              -0.00000430798839
                2p
                   -1 :               0.00003618898272
                   +0 :               0.00000111310291
                   +1 :               0.00006247103843
                3p
                   -1 :               0.00001575223389
                   +0 :              -0.00000687196105
                   +1 :              -0.00002488655218
                3d
                   -2 :               0.00000272363880
                   -1 :              -0.00000094578311
                   +0 :              -0.00000023834907
                   +1 :              -0.00000017458992
                   +2 :              -0.00000515110037
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 27)  npairs=  12
              1 vec=     2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00484321270063
                2s
                   +0 :               0.10071705812243
                3s
                   +0 :              -0.01121691093616
                2p
                   -1 :               0.05113583992649
                   +0 :              -0.00270301386475
                   +1 :               0.02878536207900
                3p
                   -1 :              -0.00795400895956
                   +0 :               0.00323356844205
                   +1 :              -0.00087221803033
                3d
                   -2 :               0.00356682459225
                   -1 :               0.00056063717007
                   +0 :              -0.00241412372081
                   +1 :              -0.00071695765540
                   +2 :              -0.00011018684974
              2 vec=    -5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00135023221276
                2s
                   +0 :              -0.00783691626162
                3s
                   +0 :               0.00485539260167
                2p
                   -1 :              -0.00415010022575
                   +0 :              -0.00442937518815
                   +1 :               0.00698738998080
                3p
                   -1 :              -0.00114465143605
                   +0 :               0.00446407324665
                   +1 :              -0.00629394598067
                3d
                   -2 :               0.00090505921595
                   -1 :               0.00015180540299
                   +0 :              -0.00021185466516
                   +1 :              -0.00009250017572
                   +2 :               0.00049048023313
              3 vec=     2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00099970429673
                2s
                   +0 :              -0.04695881688110
                3s
                   +0 :              -0.00225265920275
                2p
                   -1 :               0.03040350345010
                   +0 :              -0.00409833953101
                   +1 :              -0.01848932360373
                3p
                   -1 :               0.00306492025991
                   +0 :               0.00434227338513
                   +1 :              -0.00331519705039
                3d
                   -2 :               0.00280957748617
                   -1 :               0.00012039157481
                   +0 :               0.00172476089322
                   +1 :               0.00120068481364
                   +2 :               0.00148924905173
              4 vec=    -5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00069263055438
                2s
                   +0 :               0.00631445938380
                3s
                   +0 :              -0.00143327106008
                2p
                   -1 :               0.00649564273545
                   +0 :               0.00042784430886
                   +1 :              -0.00191671864466
                3p
                   -1 :              -0.00179757119583
                   +0 :              -0.00013719818288
                   +1 :              -0.00056442590524
                3d
                   -2 :              -0.00027523358306
                   -1 :               0.00005750062443
                   +0 :              -0.00016597020148
                   +1 :              -0.00014220259272
                   +2 :              -0.00001209875356
              5 vec=    10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00002398728394
                2s
                   +0 :              -0.00009893826234
                3s
                   +0 :               0.00003144104289
                2p
                   -1 :              -0.00013605438477
                   +0 :               0.00031013906951
                   +1 :              -0.00026845384287
                3p
                   -1 :              -0.00019516474101
                   +0 :              -0.00030538268126
                   +1 :               0.00060687468228
                3d
                   -2 :               0.00000591982253
                   -1 :               0.00004230431668
                   +0 :              -0.00010509837577
                   +1 :              -0.00002945609017
                   +2 :               0.00008940461867
              6 vec=    -5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00100973154805
                2s
                   +0 :              -0.00789957202549
                3s
                   +0 :               0.00263994124094
                2p
                   -1 :               0.00589966739353
                   +0 :               0.00177130010355
                   +1 :               0.00413693380758
                3p
                   -1 :              -0.00205403865152
                   +0 :              -0.00169033973689
                   +1 :              -0.00176247906156
                3d
                   -2 :               0.00000050503743
                   -1 :               0.00007174881853
                   +0 :               0.00004089793473
                   +1 :               0.00005700857936
                   +2 :               0.00004425949679
              7 vec=     2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00003704213986
                2s
                   +0 :               0.00082543165696
                3s
                   +0 :               0.00007653667010
                2p
                   -1 :               0.00001460934053
                   +0 :               0.00000003717888
                   +1 :              -0.00034895550190
                3p
                   -1 :               0.00031645582320
                   +0 :              -0.00000211463701
                   +1 :               0.00001719742415
                3d
                   -2 :              -0.00003092909354
                   -1 :               0.00000205747021
                   +0 :              -0.00001524191584
                   +1 :              -0.00001139561769
                   +2 :               0.00000982561649
              8 vec=    10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00000134164677
                2s
                   +0 :               0.00020987511538
                3s
                   +0 :               0.00003203101914
                2p
                   -1 :              -0.00033067483056
                   +0 :               0.00010850539412
                   +1 :               0.00002427339975
                3p
                   -1 :               0.00010597065524
                   +0 :              -0.00010702336601
                   +1 :               0.00004658212497
                3d
                   -2 :              -0.00003108842291
                   -1 :               0.00000537333761
                   +0 :              -0.00002543269023
                   +1 :              -0.00000226244464
                   +2 :              -0.00001623194079
              9 vec=   -13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000796241386
                2s
                   +0 :               0.00026265741945
                3s
                   +0 :               0.00001186098038
                2p
                   -1 :               0.00011245494768
                   +0 :               0.00014697232113
                   +1 :              -0.00007281615492
                3p
                   -1 :              -0.00018504028682
                   +0 :              -0.00013468863786
                   +1 :              -0.00022716928823
                3d
                   -2 :               0.00001586704684
                   -1 :              -0.00000426927769
                   +0 :              -0.00001768958588
                   +1 :              -0.00000136693103
                   +2 :               0.00005445236565
             10 vec=    10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00003431774307
                2s
                   +0 :               0.00004442823627
                3s
                   +0 :              -0.00015084764073
                2p
                   -1 :              -0.00031870669243
                   +0 :               0.00013814624354
                   +1 :              -0.00012201008593
                3p
                   -1 :               0.00006813402606
                   +0 :              -0.00011865039901
                   +1 :              -0.00017557241490
                3d
                   -2 :              -0.00002240606802
                   -1 :              -0.00000114613830
                   +0 :               0.00003923715184
                   +1 :               0.00000712586256
                   +2 :              -0.00005364888794
             11 vec=   -13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00005265070744
                2s
                   +0 :              -0.00062539226932
                3s
                   +0 :               0.00012474308194
                2p
                   -1 :               0.00011948318961
                   +0 :              -0.00001442290226
                   +1 :               0.00037220944894
                3p
                   -1 :              -0.00005796858807
                   +0 :               0.00000466754415
                   +1 :               0.00003981607545
                3d
                   -2 :               0.00000440627868
                   -1 :              -0.00000158275911
                   +0 :               0.00000085669945
                   +1 :               0.00001097046454
                   +2 :              -0.00002332949954
             12 vec=     2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00010679582186
                2s
                   +0 :              -0.00108593565143
                3s
                   +0 :               0.00026737508549
                2p
                   -1 :               0.00086038535215
                   +0 :              -0.00021102278342
                   +1 :               0.00046841906286
                3p
                   -1 :              -0.00046207574150
                   +0 :               0.00015757286475
                   +1 :              -0.00018401658198
                3d
                   -2 :              -0.00001401573586
                   -1 :              -0.00000150240804
                   +0 :              -0.00003146370004
                   +1 :               0.00000023196959
                   +2 :              -0.00003933496958
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 28)  npairs=  14
              1 vec=    -0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000065774380
                2s
                   +0 :              -0.00019529014739
                3s
                   +0 :              -0.00000554685246
                2p
                   -1 :              -0.00009699543196
                   +0 :              -0.00002551087960
                   +1 :               0.00011139982224
                3p
                   -1 :              -0.00006237021660
                   +0 :               0.00021552650127
                   +1 :              -0.00007475104848
                3d
                   -2 :               0.00000005715864
                   -1 :               0.00001182031394
                   +0 :              -0.00005096061472
                   +1 :              -0.00001247443708
                   +2 :               0.00002987120933
              2 vec=    -0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005007319791
                2s
                   +0 :               0.00054757868413
                3s
                   +0 :              -0.00013535086056
                2p
                   -1 :              -0.00005666416849
                   +0 :               0.00024786261183
                   +1 :              -0.00020242395079
                3p
                   -1 :              -0.00002469471272
                   +0 :              -0.00010913474034
                   +1 :               0.00020935894660
                3d
                   -2 :              -0.00000530039990
                   -1 :              -0.00001864967078
                   +0 :              -0.00000622198543
                   +1 :               0.00001772015442
                   +2 :               0.00000168034087
              3 vec=    -0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00001463485645
                2s
                   +0 :              -0.00034441915864
                3s
                   +0 :              -0.00001861795667
                2p
                   -1 :               0.00007883007575
                   +0 :               0.00029218178320
                   +1 :               0.00000289914203
                3p
                   -1 :              -0.00002933275177
                   +0 :              -0.00005231905591
                   +1 :               0.00001777424653
                3d
                   -2 :              -0.00002831440803
                   -1 :              -0.00000080807654
                   +0 :              -0.00003145195022
                   +1 :              -0.00000060521281
                   +2 :               0.00000194407764
              4 vec=    -0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011751276556
                2s
                   +0 :              -0.00112740619955
                3s
                   +0 :               0.00031824908260
                2p
                   -1 :               0.00026711256630
                   +0 :              -0.00046729860310
                   +1 :               0.00036058332867
                3p
                   -1 :              -0.00011373183519
                   +0 :              -0.00003687767938
                   +1 :              -0.00024238778311
                3d
                   -2 :              -0.00000142139406
                   -1 :               0.00001865921982
                   +0 :              -0.00001991507687
                   +1 :              -0.00000096105080
                   +2 :              -0.00003681388388
              5 vec=     7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00009229850259
                2s
                   +0 :              -0.00079267898043
                3s
                   +0 :               0.00022918277789
                2p
                   -1 :               0.00007089823312
                   +0 :               0.00056422247515
                   +1 :              -0.00039424869572
                3p
                   -1 :              -0.00001345512414
                   +0 :              -0.00019174016335
                   +1 :               0.00020523518378
                3d
                   -2 :              -0.00000903264366
                   -1 :              -0.00002256249840
                   +0 :              -0.00000141510792
                   +1 :              -0.00000372914686
                   +2 :               0.00001008903701
              6 vec=     7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00002217071567
                2s
                   +0 :              -0.00025227759071
                3s
                   +0 :               0.00005745472927
                2p
                   -1 :               0.00016820239403
                   +0 :              -0.00014208058622
                   +1 :               0.00017745456362
                3p
                   -1 :              -0.00007052247140
                   +0 :               0.00001800362942
                   +1 :              -0.00017523291133
                3d
                   -2 :               0.00001258188579
                   -1 :               0.00001173664187
                   +0 :               0.00000125480784
                   +1 :              -0.00000317273040
                   +2 :              -0.00000195051011
              7 vec=    -7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000346333377
                2s
                   +0 :              -0.00015268290960
                3s
                   +0 :              -0.00004619658836
                2p
                   -1 :               0.00020083041671
                   +0 :              -0.00006599901544
                   +1 :              -0.00001332692918
                3p
                   -1 :              -0.00012509360856
                   +0 :               0.00025829299659
                   +1 :               0.00008538934747
                3d
                   -2 :              -0.00001334598437
                   -1 :              -0.00000466393480
                   +0 :              -0.00002934676021
                   +1 :              -0.00002635374330
                   +2 :              -0.00000467505538
              8 vec=    -7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001613530585
                2s
                   +0 :              -0.00004481693032
                3s
                   +0 :              -0.00008863515050
                2p
                   -1 :               0.00003990524168
                   +0 :               0.00009228418147
                   +1 :              -0.00001669815486
                3p
                   -1 :               0.00002083182182
                   +0 :              -0.00023427177684
                   +1 :               0.00001830207793
                3d
                   -2 :              -0.00000031885059
                   -1 :               0.00001427363492
                   +0 :              -0.00001756296420
                   +1 :               0.00001540532030
                   +2 :               0.00000200738425
              9 vec=     7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000176833133
                2s
                   +0 :               0.00002768451944
                3s
                   +0 :               0.00000062614119
                2p
                   -1 :              -0.00001801917174
                   +0 :               0.00001181614015
                   +1 :               0.00019562829368
                3p
                   -1 :               0.00002432028086
                   +0 :              -0.00005238072553
                   +1 :              -0.00013764678145
                3d
                   -2 :              -0.00000208917439
                   -1 :              -0.00000376766162
                   +0 :               0.00001272616788
                   +1 :               0.00001107619445
                   +2 :               0.00000031136407
             10 vec=     7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001673034069
                2s
                   +0 :               0.00014492438204
                3s
                   +0 :              -0.00003508098590
                2p
                   -1 :               0.00003119716543
                   +0 :               0.00009570267109
                   +1 :               0.00007560691674
                3p
                   -1 :              -0.00004368793247
                   +0 :              -0.00000366056900
                   +1 :              -0.00003885363815
                3d
                   -2 :              -0.00000051638726
                   -1 :              -0.00000365481504
                   +0 :               0.00000998138027
                   +1 :               0.00000232108277
                   +2 :              -0.00000159565420
             11 vec=    -7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000499640375
                2s
                   +0 :               0.00003148712859
                3s
                   +0 :              -0.00001370916563
                2p
                   -1 :              -0.00013894429455
                   +0 :               0.00006999001298
                   +1 :              -0.00007670299414
                3p
                   -1 :               0.00011967900956
                   +0 :              -0.00012106633794
                   +1 :               0.00006520331302
                3d
                   -2 :              -0.00000119425764
                   -1 :              -0.00000966832635
                   +0 :               0.00000371781482
                   +1 :              -0.00001024292983
                   +2 :              -0.00001026018535
             12 vec=    -7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000980860580
                2s
                   +0 :               0.00009183899172
                3s
                   +0 :              -0.00002481895553
                2p
                   -1 :              -0.00008580279505
                   +0 :               0.00018593213730
                   +1 :               0.00003787165221
                3p
                   -1 :               0.00007430260772
                   +0 :              -0.00007237030010
                   +1 :              -0.00003416679731
                3d
                   -2 :               0.00000008026561
                   -1 :               0.00000209875561
                   +0 :               0.00000539571107
                   +1 :              -0.00000477470903
                   +2 :              -0.00000088365586
             13 vec=    -0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000702020217
                2s
                   +0 :               0.00013053752214
                3s
                   +0 :              -0.00000912708830
                2p
                   -1 :               0.00018318353103
                   +0 :              -0.00010749831973
                   +1 :              -0.00000440972108
                3p
                   -1 :              -0.00007479997868
                   +0 :              -0.00000911267638
                   +1 :               0.00002334637519
                3d
                   -2 :               0.00000472675885
                   -1 :               0.00000018730379
                   +0 :               0.00000221484701
                   +1 :               0.00000023833672
                   +2 :              -0.00000093775591
             14 vec=    -0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000567105971
                2s
                   +0 :              -0.00000373792987
                3s
                   +0 :               0.00000095650146
                2p
                   -1 :              -0.00000324748664
                   +0 :               0.00001634552282
                   +1 :              -0.00004967982758
                3p
                   -1 :              -0.00000448906781
                   +0 :               0.00001397353123
                   +1 :               0.00003588936992
                3d
                   -2 :               0.00000138416640
                   -1 :              -0.00000608768401
                   +0 :               0.00000285249703
                   +1 :              -0.00000032142294
                   +2 :               0.00000575461965
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 29)  npairs=  18
              1 vec=    -3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00010131671892
                2s
                   +0 :              -0.00083503589050
                3s
                   +0 :               0.00036559754147
                2p
                   -1 :               0.00025263052698
                   +0 :               0.00053676648199
                   +1 :              -0.00035599123046
                3p
                   -1 :              -0.00013479574274
                   +0 :              -0.00042320250920
                   +1 :               0.00028033098032
                3d
                   -2 :              -0.00001020364194
                   -1 :              -0.00000721860126
                   +0 :               0.00006171195088
                   +1 :              -0.00000319696048
                   +2 :              -0.00002096286431
              2 vec=    -3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00001863397023
                2s
                   +0 :               0.00014619837727
                3s
                   +0 :              -0.00006362784411
                2p
                   -1 :              -0.00003450858657
                   +0 :               0.00056321293757
                   +1 :               0.00003750041304
                3p
                   -1 :              -0.00002114822898
                   +0 :              -0.00054223383754
                   +1 :              -0.00008771244454
                3d
                   -2 :              -0.00001906087053
                   -1 :              -0.00001580585255
                   +0 :              -0.00002432785890
                   +1 :              -0.00000429427437
                   +2 :               0.00001904825690
              3 vec=     4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00000474490862
                2s
                   +0 :               0.00012756998546
                3s
                   +0 :               0.00005406684140
                2p
                   -1 :              -0.00063280695306
                   +0 :              -0.00009882447375
                   +1 :               0.00013898637176
                3p
                   -1 :               0.00016543280801
                   +0 :              -0.00006490317037
                   +1 :               0.00007867195302
                3d
                   -2 :              -0.00000961084806
                   -1 :               0.00002227568865
                   +0 :               0.00001191430479
                   +1 :              -0.00002494645503
                   +2 :               0.00001579476359
              4 vec=     4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00008530479136
                2s
                   +0 :               0.00047196834430
                3s
                   +0 :              -0.00022620038170
                2p
                   -1 :              -0.00012501934525
                   +0 :               0.00034207323990
                   +1 :               0.00023071630957
                3p
                   -1 :              -0.00011137957759
                   +0 :              -0.00025619360944
                   +1 :               0.00002349232221
                3d
                   -2 :              -0.00001104428282
                   -1 :              -0.00004707283249
                   +0 :              -0.00001231523374
                   +1 :               0.00002855616075
                   +2 :               0.00000061565669
              5 vec=    -3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00003978489853
                2s
                   +0 :               0.00042585436114
                3s
                   +0 :              -0.00010547002876
                2p
                   -1 :               0.00013570428879
                   +0 :              -0.00038921948026
                   +1 :               0.00009633038822
                3p
                   -1 :               0.00000306430371
                   +0 :               0.00011274582848
                   +1 :              -0.00003175797003
                3d
                   -2 :               0.00000765739953
                   -1 :              -0.00000911331952
                   +0 :              -0.00000643395534
                   +1 :              -0.00000514717972
                   +2 :              -0.00000936937199
              6 vec=    -3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000128734921
                2s
                   +0 :               0.00033562821158
                3s
                   +0 :               0.00002416745511
                2p
                   -1 :               0.00015766741587
                   +0 :               0.00033676064117
                   +1 :               0.00023070178492
                3p
                   -1 :               0.00006480995700
                   +0 :               0.00003984835034
                   +1 :              -0.00014036896928
                3d
                   -2 :              -0.00001008132813
                   -1 :               0.00002270795701
                   +0 :               0.00001614269175
                   +1 :               0.00000313745392
                   +2 :              -0.00002409364267
              7 vec=     4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001385254181
                2s
                   +0 :              -0.00037444235743
                3s
                   +0 :              -0.00000014489141
                2p
                   -1 :              -0.00026996213571
                   +0 :               0.00002169302056
                   +1 :              -0.00010924727371
                3p
                   -1 :               0.00028017959815
                   +0 :               0.00018582514904
                   +1 :              -0.00004549672950
                3d
                   -2 :               0.00002453479699
                   -1 :              -0.00001754162863
                   +0 :              -0.00002752364875
                   +1 :               0.00001392136666
                   +2 :              -0.00001743042068
              8 vec=     4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001091571919
                2s
                   +0 :              -0.00002038921162
                3s
                   +0 :              -0.00003184090891
                2p
                   -1 :               0.00012343210466
                   +0 :               0.00014195071646
                   +1 :              -0.00016321841233
                3p
                   -1 :              -0.00013906844673
                   +0 :              -0.00012732491780
                   +1 :               0.00003916479675
                3d
                   -2 :              -0.00000046776499
                   -1 :              -0.00001633330206
                   +0 :               0.00000477631784
                   +1 :              -0.00002219194275
                   +2 :              -0.00000619279182
              9 vec=   -10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000840826546
                2s
                   +0 :              -0.00003401500566
                3s
                   +0 :               0.00002870616685
                2p
                   -1 :              -0.00001082925660
                   +0 :               0.00006921307204
                   +1 :               0.00005306567276
                3p
                   -1 :              -0.00000886491132
                   +0 :              -0.00004455967469
                   +1 :              -0.00006291602963
                3d
                   -2 :               0.00000105829875
                   -1 :               0.00001070619541
                   +0 :               0.00000286473277
                   +1 :               0.00000003139238
                   +2 :               0.00000106145343
             10 vec=   -10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001022511247
                2s
                   +0 :              -0.00004301153603
                3s
                   +0 :               0.00001266013613
                2p
                   -1 :              -0.00002200521936
                   +0 :               0.00001715643045
                   +1 :               0.00022638219489
                3p
                   -1 :              -0.00001634907328
                   +0 :              -0.00002904963475
                   +1 :              -0.00021089342836
                3d
                   -2 :               0.00000447258064
                   -1 :              -0.00000619333758
                   +0 :              -0.00001704349184
                   +1 :              -0.00000882053833
                   +2 :               0.00001074364662
             11 vec=    -3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002203549112
                2s
                   +0 :               0.00008682573835
                3s
                   +0 :              -0.00012040227575
                2p
                   -1 :              -0.00018756598477
                   +0 :              -0.00020141176667
                   +1 :               0.00003629904131
                3p
                   -1 :               0.00021724209445
                   +0 :               0.00029618810890
                   +1 :              -0.00001168591744
                3d
                   -2 :              -0.00000126063087
                   -1 :              -0.00001647732849
                   +0 :              -0.00001981941278
                   +1 :               0.00000076815434
                   +2 :              -0.00000028855336
             12 vec=    -3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000373355069
                2s
                   +0 :              -0.00001854879869
                3s
                   +0 :              -0.00002224699554
                2p
                   -1 :               0.00000124839451
                   +0 :               0.00008495836822
                   +1 :              -0.00015276103252
                3p
                   -1 :               0.00004811827923
                   +0 :              -0.00012077059816
                   +1 :               0.00013865743573
                3d
                   -2 :              -0.00000789605898
                   -1 :              -0.00000324461046
                   +0 :              -0.00000143156718
                   +1 :               0.00000360741086
                   +2 :              -0.00000499528761
             13 vec=   -10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000591493853
                2s
                   +0 :              -0.00006699867510
                3s
                   +0 :               0.00000459361168
                2p
                   -1 :               0.00000198216740
                   +0 :               0.00003683970811
                   +1 :               0.00004958061697
                3p
                   -1 :               0.00002050100748
                   +0 :              -0.00000933287923
                   +1 :              -0.00001220664651
                3d
                   -2 :              -0.00000046495280
                   -1 :              -0.00000456360109
                   +0 :               0.00000008663362
                   +1 :              -0.00000024920191
                   +2 :              -0.00000296408183
             14 vec=   -10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000569341445
                2s
                   +0 :              -0.00005175680971
                3s
                   +0 :               0.00001269557722
                2p
                   -1 :               0.00002471237506
                   +0 :              -0.00004401724107
                   +1 :               0.00009372134099
                3p
                   -1 :               0.00002405150544
                   +0 :               0.00002469015239
                   +1 :              -0.00004573278559
                3d
                   -2 :              -0.00000207877586
                   -1 :               0.00000565037602
                   +0 :               0.00000555154983
                   +1 :              -0.00000000565906
                   +2 :               0.00000094519428
             15 vec=     4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000323479795
                2s
                   +0 :              -0.00000366844701
                3s
                   +0 :               0.00000992533046
                2p
                   -1 :               0.00001771393566
                   +0 :               0.00007144783907
                   +1 :              -0.00004230576463
                3p
                   -1 :              -0.00003306445171
                   +0 :              -0.00006268411058
                   +1 :               0.00004703630053
                3d
                   -2 :               0.00000117358733
                   -1 :               0.00000029096338
                   +0 :               0.00000442291411
                   +1 :              -0.00000534247215
                   +2 :               0.00000285280393
             16 vec=     4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001072325748
                2s
                   +0 :               0.00010787488642
                3s
                   +0 :              -0.00002716486353
                2p
                   -1 :               0.00013212534096
                   +0 :               0.00008203709552
                   +1 :              -0.00000334577792
                3p
                   -1 :              -0.00007234110444
                   +0 :              -0.00002619888332
                   +1 :              -0.00001090664056
                3d
                   -2 :              -0.00000238505945
                   -1 :              -0.00000033192996
                   +0 :               0.00000079450557
                   +1 :              -0.00000231529092
                   +2 :              -0.00000067005532
             17 vec=    12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002350154475
                2s
                   +0 :               0.00014207388448
                3s
                   +0 :              -0.00007973977944
                2p
                   -1 :               0.00002032514734
                   +0 :              -0.00006935664241
                   +1 :              -0.00002879703055
                3p
                   -1 :              -0.00002913492898
                   +0 :               0.00003198635315
                   +1 :               0.00001246243928
                3d
                   -2 :              -0.00000433744660
                   -1 :               0.00000567034877
                   +0 :              -0.00000386158710
                   +1 :              -0.00000087252943
                   +2 :               0.00000507356216
             18 vec=    12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001190218932
                2s
                   +0 :              -0.00008857664281
                3s
                   +0 :               0.00003307791797
                2p
                   -1 :              -0.00005314734272
                   +0 :              -0.00002192053771
                   +1 :              -0.00012213127824
                3p
                   -1 :               0.00005059847686
                   +0 :              -0.00001441695951
                   +1 :               0.00008294987300
                3d
                   -2 :               0.00000687066105
                   -1 :               0.00000567230440
                   +0 :               0.00000166896382
                   +1 :               0.00000107460756
                   +2 :               0.00000215321882
WF             site_B          number of pairs
WF( 45)=[O_14_2py]  to site O ( 30)  npairs=  14
              1 vec=     2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008045502600
                2s
                   +0 :              -0.00075515667007
                3s
                   +0 :               0.00026118329179
                2p
                   -1 :               0.00013528119701
                   +0 :               0.00048485555533
                   +1 :               0.00037886737208
                3p
                   -1 :              -0.00007856170469
                   +0 :              -0.00032697718406
                   +1 :              -0.00026913311708
                3d
                   -2 :               0.00001162403074
                   -1 :               0.00000052887633
                   +0 :               0.00002866637436
                   +1 :               0.00001425450182
                   +2 :               0.00001838880347
              2 vec=     2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000749542509
                2s
                   +0 :               0.00009887108148
                3s
                   +0 :              -0.00002484938945
                2p
                   -1 :              -0.00032131071088
                   +0 :               0.00028170094090
                   +1 :              -0.00005359532171
                3p
                   -1 :               0.00022318263601
                   +0 :              -0.00026795732491
                   +1 :               0.00009280691205
                3d
                   -2 :               0.00001547639639
                   -1 :               0.00000283438314
                   +0 :              -0.00001485847678
                   +1 :              -0.00000101189176
                   +2 :               0.00001162474990
              3 vec=    -5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00004438396437
                2s
                   +0 :               0.00003454163813
                3s
                   +0 :               0.00023928406373
                2p
                   -1 :              -0.00067926556518
                   +0 :              -0.00017965896059
                   +1 :              -0.00008917367368
                3p
                   -1 :               0.00025324447038
                   +0 :              -0.00020706972344
                   +1 :              -0.00018225016172
                3d
                   -2 :              -0.00000119824358
                   -1 :               0.00000858889626
                   +0 :               0.00003128248482
                   +1 :               0.00005033717989
                   +2 :               0.00000808654978
              4 vec=    -5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001932731564
                2s
                   +0 :               0.00023625481452
                3s
                   +0 :              -0.00004336800054
                2p
                   -1 :              -0.00020617643458
                   +0 :               0.00018526645603
                   +1 :              -0.00048876855787
                3p
                   -1 :              -0.00005298619187
                   +0 :              -0.00002225422591
                   +1 :               0.00023027037638
                3d
                   -2 :              -0.00000348698870
                   -1 :              -0.00002007982835
                   +0 :               0.00001074583390
                   +1 :              -0.00001269213068
                   +2 :               0.00001963849930
              5 vec=     2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00003309787773
                2s
                   +0 :               0.00033951355473
                3s
                   +0 :              -0.00011294407757
                2p
                   -1 :               0.00001042263231
                   +0 :              -0.00016401655696
                   +1 :              -0.00011158041813
                3p
                   -1 :               0.00006916129793
                   +0 :               0.00003093827075
                   +1 :              -0.00001535644090
                3d
                   -2 :              -0.00000363617168
                   -1 :              -0.00000888073921
                   +0 :              -0.00001426357910
                   +1 :               0.00001350588246
                   +2 :              -0.00001069066381
              6 vec=     2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00004837856620
                2s
                   +0 :               0.00037466291104
                3s
                   +0 :              -0.00012734126563
                2p
                   -1 :               0.00023059235022
                   +0 :               0.00018346690144
                   +1 :               0.00000343739495
                3p
                   -1 :              -0.00006752208412
                   +0 :              -0.00003147749799
                   +1 :              -0.00008563824942
                3d
                   -2 :               0.00000108588343
                   -1 :               0.00000937684942
                   +0 :               0.00000570486823
                   +1 :              -0.00002087033505
                   +2 :              -0.00000175943485
              7 vec=    -5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000903082299
                2s
                   +0 :              -0.00019850291910
                3s
                   +0 :              -0.00000360563258
                2p
                   -1 :               0.00012296085640
                   +0 :               0.00035402546954
                   +1 :               0.00038428895023
                3p
                   -1 :              -0.00012731009258
                   +0 :              -0.00025004305288
                   +1 :              -0.00023924644688
                3d
                   -2 :               0.00003090246049
                   -1 :               0.00000664956731
                   +0 :               0.00001933529387
                   +1 :               0.00001332240079
                   +2 :              -0.00000504617224
              8 vec=    -5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002654166483
                2s
                   +0 :               0.00013566421619
                3s
                   +0 :              -0.00011918749376
                2p
                   -1 :              -0.00020063195389
                   +0 :               0.00015199774374
                   +1 :              -0.00005458330776
                3p
                   -1 :               0.00014914667067
                   +0 :              -0.00010907818262
                   +1 :               0.00006908780944
                3d
                   -2 :              -0.00001016359725
                   -1 :               0.00002488880986
                   +0 :               0.00000634787543
                   +1 :               0.00001490357365
                   +2 :               0.00000258100572
              9 vec=    10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001766237480
                2s
                   +0 :              -0.00011096698755
                3s
                   +0 :               0.00005233152178
                2p
                   -1 :              -0.00012937637489
                   +0 :               0.00005730707952
                   +1 :              -0.00012480640606
                3p
                   -1 :               0.00008988189188
                   +0 :              -0.00004078648643
                   +1 :               0.00009997975921
                3d
                   -2 :              -0.00000624751273
                   -1 :              -0.00000117327093
                   +0 :              -0.00000253047060
                   +1 :              -0.00000311628161
                   +2 :               0.00000506435835
             10 vec=    10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000994550080
                2s
                   +0 :              -0.00005081026294
                3s
                   +0 :               0.00002063300893
                2p
                   -1 :              -0.00022764979188
                   +0 :               0.00000898875551
                   +1 :              -0.00002480275440
                3p
                   -1 :               0.00017600458465
                   +0 :              -0.00002654633224
                   +1 :               0.00002293275061
                3d
                   -2 :               0.00000863618152
                   -1 :               0.00000449805868
                   +0 :              -0.00001344159274
                   +1 :              -0.00000453226310
                   +2 :              -0.00000561263607
             11 vec=     2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00004034745214
                2s
                   +0 :              -0.00026270170891
                3s
                   +0 :               0.00011116687236
                2p
                   -1 :               0.00033970155920
                   +0 :               0.00026530939554
                   +1 :               0.00008135897410
                3p
                   -1 :              -0.00025471912021
                   +0 :              -0.00013650520995
                   +1 :              -0.00010311435181
                3d
                   -2 :              -0.00000676359294
                   -1 :               0.00002416153015
                   +0 :               0.00000777321058
                   +1 :               0.00000234627101
                   +2 :              -0.00000968862898
             12 vec=     2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002762364055
                2s
                   +0 :               0.00013164464966
                3s
                   +0 :              -0.00009209963712
                2p
                   -1 :               0.00006866277658
                   +0 :               0.00016795281419
                   +1 :               0.00007288518570
                3p
                   -1 :              -0.00004329570725
                   +0 :              -0.00018211290573
                   +1 :              -0.00006305163841
                3d
                   -2 :              -0.00000655951696
                   -1 :               0.00000375853779
                   +0 :              -0.00001623450832
                   +1 :              -0.00000513652895
                   +2 :              -0.00000712019062
             13 vec=    10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000242758721
                2s
                   +0 :              -0.00003166300644
                3s
                   +0 :              -0.00001157195852
                2p
                   -1 :               0.00001518682229
                   +0 :               0.00002025061968
                   +1 :              -0.00009976426106
                3p
                   -1 :               0.00001938674745
                   +0 :               0.00000243177987
                   +1 :               0.00004534668348
                3d
                   -2 :              -0.00000519175056
                   -1 :              -0.00000163229074
                   +0 :              -0.00000011043917
                   +1 :              -0.00000676455897
                   +2 :               0.00000551615289
             14 vec=    10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00003062537572
                2s
                   +0 :              -0.00022470804782
                3s
                   +0 :               0.00009965171287
                2p
                   -1 :               0.00009693028685
                   +0 :              -0.00015618274160
                   +1 :              -0.00008442130573
                3p
                   -1 :              -0.00004155724889
                   +0 :               0.00009408962647
                   +1 :               0.00002251697823
                3d
                   -2 :               0.00000510207228
                   -1 :              -0.00000336619987
                   +0 :               0.00000377985371
                   +1 :              -0.00000107449460
                   +2 :              -0.00000294097453
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al(  1)  npairs=  15
              1 vec=    -0.209805     -3.115717     10.693237   |vec|=   11.139884
                2s
                   +0 :               0.00031351319731
                2p
                   -1 :              -0.00047843319197
                   +0 :               0.00032631927820
                   +1 :              -0.00014001058667
                3s
                   +0 :              -0.00037249975132
                4s
                   +0 :               0.00085258830042
                3p
                   -1 :               0.00270124133624
                   +0 :              -0.00176956573545
                   +1 :               0.00035947281905
                4p
                   -1 :              -0.00043639907974
                   +0 :               0.00098555334232
                   +1 :              -0.00013932402598
                3d
                   -2 :              -0.00004517790220
                   -1 :               0.00066491916652
                   +0 :              -0.00070162274065
                   +1 :               0.00001953151830
                   +2 :              -0.00009154239240
              2 vec=    -0.209805      5.868041     10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00006228715548
                2p
                   -1 :              -0.00002957936606
                   +0 :               0.00001488705014
                   +1 :              -0.00007523236692
                3s
                   +0 :               0.00061509566394
                4s
                   +0 :              -0.00017415593086
                3p
                   -1 :               0.00085002336653
                   +0 :               0.00061355721604
                   +1 :               0.00063548315822
                4p
                   -1 :              -0.00007366028605
                   +0 :              -0.00012903387772
                   +1 :               0.00001167939364
                3d
                   -2 :               0.00024502894763
                   -1 :              -0.00011235405082
                   +0 :               0.00016614118616
                   +1 :               0.00024437215589
                   +2 :               0.00058220140862
              3 vec=     7.570358      1.376162     10.693237   |vec|=   13.173817
                2s
                   +0 :              -0.00015857753374
                2p
                   -1 :               0.00021723144776
                   +0 :               0.00002366153408
                   +1 :               0.00011905656785
                3s
                   +0 :               0.00214941055448
                4s
                   +0 :              -0.00029071497679
                3p
                   -1 :              -0.00055600974082
                   +0 :               0.00093124026384
                   +1 :               0.00058180991104
                4p
                   -1 :               0.00021809167821
                   +0 :              -0.00005734029889
                   +1 :               0.00005135781951
                3d
                   -2 :               0.00014922287672
                   -1 :              -0.00006011686181
                   +0 :               0.00019847785587
                   +1 :               0.00023638655100
                   +2 :               0.00016889085470
              4 vec=    -7.989968      1.376162     10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00024333755225
                2p
                   -1 :              -0.00000557912060
                   +0 :               0.00006538760422
                   +1 :              -0.00002612737984
                3s
                   +0 :               0.00244106003356
                4s
                   +0 :              -0.00031238288856
                3p
                   -1 :               0.00058560024219
                   +0 :               0.00066766298353
                   +1 :              -0.00111183289947
                4p
                   -1 :               0.00004404309059
                   +0 :               0.00005125492927
                   +1 :               0.00007959475108
                3d
                   -2 :              -0.00029340972431
                   -1 :               0.00027660383238
                   +0 :               0.00006205402022
                   +1 :              -0.00035094018303
                   +2 :               0.00019208343238
              5 vec=    -0.209805     -3.115717    -13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00000101231413
                2p
                   -1 :               0.00008042733913
                   +0 :              -0.00001268446175
                   +1 :              -0.00006895827588
                3s
                   +0 :              -0.00011629156166
                4s
                   +0 :               0.00006948878816
                3p
                   -1 :              -0.00042971716478
                   +0 :              -0.00001050109075
                   +1 :               0.00027523485546
                4p
                   -1 :               0.00007052908939
                   +0 :              -0.00000703805225
                   +1 :              -0.00005000505072
                3d
                   -2 :              -0.00008925433132
                   -1 :               0.00005357265290
                   +0 :               0.00002044063193
                   +1 :              -0.00008845389287
                   +2 :               0.00000473770076
              6 vec=    -0.209805      5.868041    -13.854306   |vec|=   15.047249
                2s
                   +0 :               0.00015819782929
                2p
                   -1 :               0.00013542763321
                   +0 :              -0.00002036923777
                   +1 :              -0.00000115967788
                3s
                   +0 :              -0.00042201477672
                4s
                   +0 :               0.00007347875419
                3p
                   -1 :              -0.00042893769910
                   +0 :               0.00000480691065
                   +1 :              -0.00005623218173
                4p
                   -1 :               0.00003995054109
                   +0 :              -0.00000964917570
                   +1 :               0.00004062049871
                3d
                   -2 :              -0.00001687175005
                   -1 :               0.00001013986741
                   +0 :               0.00007232248463
                   +1 :              -0.00002315297209
                   +2 :               0.00013621092423
              7 vec=     7.570358     -7.607596     10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00011661022363
                2p
                   -1 :               0.00002148496506
                   +0 :               0.00003973892859
                   +1 :               0.00000778302181
                3s
                   +0 :              -0.00021667838310
                4s
                   +0 :               0.00000136894925
                3p
                   -1 :              -0.00014223537156
                   +0 :              -0.00022579875828
                   +1 :               0.00006040303863
                4p
                   -1 :               0.00004736407535
                   +0 :               0.00002885408516
                   +1 :              -0.00009590793983
                3d
                   -2 :              -0.00000580987930
                   -1 :               0.00000001086170
                   +0 :              -0.00004241583469
                   +1 :              -0.00002089841599
                   +2 :               0.00004385062132
              8 vec=    -7.989968     -7.607596     10.693237   |vec|=   15.364258
                2s
                   +0 :              -0.00004457052667
                2p
                   -1 :               0.00001279812722
                   +0 :               0.00001997346924
                   +1 :               0.00002595841696
                3s
                   +0 :               0.00031130782735
                4s
                   +0 :              -0.00012001069849
                3p
                   -1 :              -0.00022459315264
                   +0 :              -0.00010014091447
                   +1 :              -0.00014853917495
                4p
                   -1 :               0.00008325882340
                   +0 :               0.00002386870916
                   +1 :               0.00006108738423
                3d
                   -2 :               0.00001989583428
                   -1 :              -0.00005647142149
                   +0 :              -0.00002080738131
                   +1 :              -0.00001811551990
                   +2 :              -0.00004492033373
              9 vec=     7.570358      1.376162    -13.854306   |vec|=   15.847584
                2s
                   +0 :               0.00007830170756
                2p
                   -1 :               0.00002893462844
                   +0 :              -0.00001012352858
                   +1 :               0.00001005678497
                3s
                   +0 :              -0.00046758647537
                4s
                   +0 :               0.00012975890190
                3p
                   -1 :              -0.00003792168326
                   +0 :               0.00015213946388
                   +1 :              -0.00023973250943
                4p
                   -1 :               0.00002274810225
                   +0 :              -0.00007630501168
                   +1 :               0.00003157854454
                3d
                   -2 :               0.00007572568492
                   -1 :               0.00001093527031
                   +0 :              -0.00000432365824
                   +1 :               0.00005108309576
                   +2 :              -0.00000547518758
             10 vec=    -7.989968      1.376162    -13.854306   |vec|=   16.052264
                2s
                   +0 :              -0.00005188810927
                2p
                   -1 :               0.00003659428381
                   +0 :               0.00001728858502
                   +1 :               0.00001041004615
                3s
                   +0 :              -0.00021818716276
                4s
                   +0 :               0.00003636694645
                3p
                   -1 :              -0.00003267714290
                   +0 :               0.00006935530471
                   +1 :               0.00020330074519
                4p
                   -1 :               0.00006697553638
                   +0 :              -0.00005656583088
                   +1 :               0.00000935415084
                3d
                   -2 :              -0.00005836822302
                   -1 :               0.00006062952152
                   +0 :               0.00000878475788
                   +1 :               0.00001324162625
                   +2 :              -0.00009640115625
             11 vec=    -0.209805    -12.099475     10.693237   |vec|=   16.148889
                2s
                   +0 :               0.00008150434745
                2p
                   -1 :              -0.00006099742000
                   +0 :               0.00004190574122
                   +1 :               0.00001660581385
                3s
                   +0 :              -0.00013647623351
                4s
                   +0 :               0.00007316196365
                3p
                   -1 :               0.00023720220363
                   +0 :              -0.00007755138925
                   +1 :              -0.00004858243413
                4p
                   -1 :              -0.00006376017901
                   +0 :               0.00003133431089
                   +1 :               0.00000067848299
                3d
                   -2 :               0.00000178004382
                   -1 :               0.00001568348824
                   +0 :               0.00003669629920
                   +1 :               0.00001563369119
                   +2 :              -0.00000395392722
             12 vec=     7.570358     10.359920     10.693237   |vec|=   16.702801
                2s
                   +0 :               0.00006502343638
                2p
                   -1 :               0.00002327574586
                   +0 :               0.00004731478969
                   +1 :              -0.00001067111325
                3s
                   +0 :              -0.00020244074170
                4s
                   +0 :               0.00006562060464
                3p
                   -1 :              -0.00014351223306
                   +0 :              -0.00024315950355
                   +1 :              -0.00003143040200
                4p
                   -1 :               0.00001364357447
                   +0 :               0.00005708440075
                   +1 :               0.00000703014206
                3d
                   -2 :              -0.00001126204342
                   -1 :              -0.00003989135199
                   +0 :              -0.00006890364770
                   +1 :              -0.00003229329494
                   +2 :               0.00004198918384
             13 vec=    -7.989968     10.359920     10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00000854143990
                2p
                   -1 :               0.00002994308492
                   +0 :               0.00000215960104
                   +1 :              -0.00002643893334
                3s
                   +0 :               0.00003559569753
                4s
                   +0 :               0.00002308265486
                3p
                   -1 :              -0.00017349321388
                   +0 :               0.00001569705579
                   +1 :               0.00011801716761
                4p
                   -1 :               0.00005007646808
                   +0 :               0.00000958678338
                   +1 :              -0.00003670175684
                3d
                   -2 :               0.00001704464759
                   -1 :              -0.00002456431133
                   +0 :               0.00001023922264
                   +1 :               0.00001356003487
                   +2 :               0.00002287697427
             14 vec=     7.570358     -7.607596    -13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00001336793467
                2p
                   -1 :               0.00001193642101
                   +0 :               0.00001849329072
                   +1 :              -0.00003035928567
                3s
                   +0 :              -0.00043938852465
                4s
                   +0 :              -0.00001314517562
                3p
                   -1 :               0.00011515199455
                   +0 :               0.00003298326907
                   +1 :              -0.00026282247447
                4p
                   -1 :               0.00002643504799
                   +0 :               0.00000925337102
                   +1 :              -0.00002116048901
                3d
                   -2 :               0.00010560904135
                   -1 :              -0.00001627816371
                   +0 :               0.00006245294158
                   +1 :               0.00004038375429
                   +2 :              -0.00007559787339
             15 vec=    -7.989968     -7.607596    -13.854306   |vec|=   17.710361
                2s
                   +0 :              -0.00000605195784
                2p
                   -1 :               0.00002073932251
                   +0 :               0.00000018872878
                   +1 :               0.00000259523401
                3s
                   +0 :              -0.00022885027720
                4s
                   +0 :               0.00002124292351
                3p
                   -1 :               0.00003974312264
                   +0 :               0.00007034508008
                   +1 :               0.00012094149121
                4p
                   -1 :               0.00002395886245
                   +0 :              -0.00001898049614
                   +1 :              -0.00001318162695
                3d
                   -2 :              -0.00002286934757
                   -1 :              -0.00001809163874
                   +0 :               0.00001668743139
                   +1 :              -0.00001288861420
                   +2 :               0.00001806583480
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al(  2)  npairs=  13
              1 vec=    -0.209805     -3.115717     -6.601980   |vec|=    7.303276
                2s
                   +0 :               0.00170917483941
                2p
                   -1 :              -0.00107111492457
                   +0 :              -0.00128123918447
                   +1 :              -0.00012425717630
                3s
                   +0 :              -0.00699629510127
                4s
                   +0 :               0.00247051241125
                3p
                   -1 :               0.00125558991699
                   +0 :              -0.00042450264495
                   +1 :               0.00057603483799
                4p
                   -1 :              -0.00027502751374
                   +0 :              -0.00170414527134
                   +1 :               0.00007637894812
                3d
                   -2 :              -0.00061783649342
                   -1 :               0.00257225294620
                   +0 :               0.00277554030678
                   +1 :               0.00006489858094
                   +2 :              -0.00342360296007
              2 vec=    -0.209805      5.868041     -6.601980   |vec|=    8.835387
                2s
                   +0 :               0.00127932018523
                2p
                   -1 :              -0.00010797595419
                   +0 :               0.00007413643674
                   +1 :               0.00031654483495
                3s
                   +0 :              -0.01680705649344
                4s
                   +0 :               0.00042326448982
                3p
                   -1 :              -0.01013280397634
                   +0 :               0.00836582835000
                   +1 :              -0.00203563855716
                4p
                   -1 :              -0.00041769591281
                   +0 :               0.00049175964191
                   +1 :               0.00064103054572
                3d
                   -2 :              -0.00036638187912
                   -1 :               0.00436362916565
                   +0 :              -0.00063649867081
                   +1 :               0.00031190402172
                   +2 :               0.00287971313516
              3 vec=     7.570358      1.376162     -6.601980   |vec|=   10.138554
                2s
                   +0 :              -0.00064608998414
                2p
                   -1 :               0.00074183098281
                   +0 :               0.00039031984071
                   +1 :               0.00022438379056
                3s
                   +0 :              -0.00055252900601
                4s
                   +0 :               0.00107729993406
                3p
                   -1 :              -0.00344273199340
                   +0 :              -0.00111570333495
                   +1 :              -0.00269156464940
                4p
                   -1 :               0.00090815709014
                   +0 :              -0.00024588691115
                   +1 :               0.00116196329635
                3d
                   -2 :              -0.00080935293374
                   -1 :               0.00036433997327
                   +0 :              -0.00040203345298
                   +1 :               0.00008097123244
                   +2 :              -0.00107915399754
              4 vec=    -7.989968      1.376162     -6.601980   |vec|=   10.455599
                2s
                   +0 :               0.00047720681413
                2p
                   -1 :               0.00010060018503
                   +0 :              -0.00001102493000
                   +1 :              -0.00017791066289
                3s
                   +0 :              -0.00241503690537
                4s
                   +0 :               0.00080957109661
                3p
                   -1 :              -0.00041506226542
                   +0 :              -0.00022924083566
                   +1 :               0.00188089829300
                4p
                   -1 :               0.00015947865610
                   +0 :               0.00007294995115
                   +1 :              -0.00064274184441
                3d
                   -2 :               0.00003097221280
                   -1 :               0.00008779925576
                   +0 :              -0.00024848693078
                   +1 :              -0.00008656126752
                   +2 :              -0.00042056873786
              5 vec=     7.570358     -7.607596     -6.601980   |vec|=   12.600475
                2s
                   +0 :               0.00031257712564
                2p
                   -1 :              -0.00002675900524
                   +0 :              -0.00011367771284
                   +1 :               0.00008370142851
                3s
                   +0 :              -0.00080367744917
                4s
                   +0 :               0.00006137293538
                3p
                   -1 :              -0.00037829171908
                   +0 :               0.00074674503385
                   +1 :              -0.00023600356842
                4p
                   -1 :               0.00020281597780
                   +0 :              -0.00007187386861
                   +1 :              -0.00004352194863
                3d
                   -2 :              -0.00015025526711
                   -1 :              -0.00003776841053
                   +0 :              -0.00029791470480
                   +1 :               0.00021778309950
                   +2 :              -0.00012159064741
              6 vec=    -7.989968     -7.607596     -6.601980   |vec|=   12.856953
                2s
                   +0 :              -0.00039455478545
                2p
                   -1 :               0.00014299028865
                   +0 :               0.00011723784067
                   +1 :               0.00010272535927
                3s
                   +0 :               0.00126009718927
                4s
                   +0 :              -0.00040742214240
                3p
                   -1 :              -0.00088155713080
                   +0 :              -0.00049519860837
                   +1 :              -0.00052691482212
                4p
                   -1 :               0.00013380691778
                   +0 :               0.00015306768140
                   +1 :               0.00010394363370
                3d
                   -2 :               0.00011496104843
                   -1 :               0.00008826311669
                   +0 :              -0.00006636049771
                   +1 :               0.00013239223964
                   +2 :              -0.00001877962990
              7 vec=    -0.209805    -12.099475     -6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00014318840807
                2p
                   -1 :              -0.00000331890689
                   +0 :               0.00008986431272
                   +1 :              -0.00001168238217
                3s
                   +0 :               0.00023806532264
                4s
                   +0 :              -0.00016665068748
                3p
                   -1 :               0.00016333284297
                   +0 :              -0.00051315854483
                   +1 :               0.00011744137529
                4p
                   -1 :               0.00001351583039
                   +0 :               0.00010164767686
                   +1 :              -0.00007401224878
                3d
                   -2 :              -0.00001998274335
                   -1 :               0.00008020544431
                   +0 :              -0.00002649179731
                   +1 :               0.00001470522390
                   +2 :               0.00008106237298
              8 vec=     7.570358     10.359920     -6.601980   |vec|=   14.429982
                2s
                   +0 :              -0.00010736790501
                2p
                   -1 :              -0.00002789607880
                   +0 :              -0.00003432051626
                   +1 :               0.00000260409611
                3s
                   +0 :               0.00038216134322
                4s
                   +0 :              -0.00014709727826
                3p
                   -1 :               0.00012064587082
                   +0 :               0.00007299778222
                   +1 :              -0.00013695274060
                4p
                   -1 :              -0.00000245852619
                   +0 :               0.00004167201204
                   +1 :               0.00003487696928
                3d
                   -2 :              -0.00009347507468
                   -1 :               0.00001814458729
                   +0 :               0.00006099367817
                   +1 :              -0.00001021879973
                   +2 :              -0.00006743813826
              9 vec=    -7.989968     10.359920     -6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00004485788752
                2p
                   -1 :              -0.00001599366783
                   +0 :               0.00000366688262
                   +1 :               0.00003628665549
                3s
                   +0 :               0.00007846979273
                4s
                   +0 :               0.00007896002507
                3p
                   -1 :               0.00020422415007
                   +0 :               0.00005301922085
                   +1 :              -0.00009879132396
                4p
                   -1 :              -0.00003221336219
                   +0 :              -0.00003504931531
                   +1 :              -0.00001776426183
                3d
                   -2 :              -0.00002206026035
                   -1 :              -0.00000764818874
                   +0 :              -0.00000929564475
                   +1 :              -0.00002673621728
                   +2 :               0.00000459757761
             10 vec=    -0.209805     14.851799     -6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00007704894088
                2p
                   -1 :               0.00001286893363
                   +0 :              -0.00004271036902
                   +1 :              -0.00001213325237
                3s
                   +0 :              -0.00025562762711
                4s
                   +0 :               0.00005202178783
                3p
                   -1 :              -0.00002972190285
                   +0 :               0.00020690554760
                   +1 :               0.00012098072559
                4p
                   -1 :              -0.00002420956696
                   +0 :              -0.00004750983327
                   +1 :              -0.00004789015271
                3d
                   -2 :               0.00002071873378
                   -1 :               0.00003447899533
                   +0 :              -0.00003801847636
                   +1 :               0.00000571135480
                   +2 :               0.00000623166228
             11 vec=    15.350520     -3.115717     -6.601980   |vec|=   16.998009
                2s
                   +0 :               0.00002316183412
                2p
                   -1 :               0.00000187803106
                   +0 :               0.00001982481656
                   +1 :              -0.00000302624085
                3s
                   +0 :               0.00000548917409
                4s
                   +0 :              -0.00004691208066
                3p
                   -1 :              -0.00004307095614
                   +0 :              -0.00012166935262
                   +1 :               0.00004432915632
                4p
                   -1 :               0.00002901384716
                   +0 :               0.00003433321756
                   +1 :              -0.00003564844750
                3d
                   -2 :              -0.00001595886181
                   -1 :               0.00000338797867
                   +0 :               0.00001690260983
                   +1 :              -0.00002837651651
                   +2 :              -0.00003319687705
             12 vec=   -15.770130     -3.115717     -6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00002166211577
                2p
                   -1 :              -0.00001970927586
                   +0 :              -0.00003894901596
                   +1 :               0.00001440479185
                3s
                   +0 :              -0.00012794540999
                4s
                   +0 :               0.00001743121256
                3p
                   -1 :               0.00011317816964
                   +0 :               0.00019848007009
                   +1 :              -0.00006516219772
                4p
                   -1 :              -0.00002168667804
                   +0 :              -0.00003781668542
                   +1 :               0.00003402471547
                3d
                   -2 :              -0.00001851781298
                   -1 :              -0.00000964258923
                   +0 :              -0.00003715622591
                   +1 :              -0.00004406999615
                   +2 :               0.00002907927617
             13 vec=    15.350520      5.868041     -6.601980   |vec|=   17.710407
                2s
                   +0 :               0.00001221921740
                2p
                   -1 :               0.00003054224819
                   +0 :               0.00002727143615
                   +1 :              -0.00000169500712
                3s
                   +0 :              -0.00010610741516
                4s
                   +0 :               0.00009031809918
                3p
                   -1 :              -0.00020865765266
                   +0 :              -0.00011236112035
                   +1 :              -0.00002002424962
                4p
                   -1 :               0.00007495957773
                   +0 :               0.00000957011749
                   +1 :               0.00002615004198
                3d
                   -2 :              -0.00002754830148
                   -1 :              -0.00002257209036
                   +0 :              -0.00002176430883
                   +1 :              -0.00003429966613
                   +2 :              -0.00000244619450
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Cr(  3)  npairs=  14
              1 vec=    -0.209805     -3.115717      5.671791   |vec|=    6.474637
                3s
                   +0 :               0.00717705386906
                3p
                   -1 :              -0.00255300539895
                   +0 :               0.00270203045323
                   +1 :              -0.00075662737353
                4s
                   +0 :              -0.01275843964500
                5s
                   +0 :               0.00310786482025
                3d
                   -2 :               0.00101803768311
                   -1 :              -0.00110308916127
                   +0 :              -0.00078074568001
                   +1 :              -0.00087355516945
                   +2 :              -0.00043565889979
                4d
                   -2 :              -0.00030652742706
                   -1 :               0.00378625089591
                   +0 :              -0.00337685699640
                   +1 :               0.00046842461330
                   +2 :              -0.00073139027963
                4p
                   -1 :               0.00211847487828
                   +0 :              -0.00398369884671
                   +1 :               0.00080536488009
              2 vec=    -0.209805      5.868041      5.671791   |vec|=    8.163770
                3s
                   +0 :              -0.00290799798472
                3p
                   -1 :              -0.00236242552460
                   +0 :              -0.00086928937056
                   +1 :              -0.00080642230847
                4s
                   +0 :              -0.00267626570526
                5s
                   +0 :              -0.00052330591002
                3d
                   -2 :              -0.00274731965345
                   -1 :              -0.00240054491947
                   +0 :               0.00317705082939
                   +1 :              -0.00136683343776
                   +2 :               0.00463408637851
                4d
                   -2 :              -0.00052728031585
                   -1 :               0.00088713584613
                   +0 :               0.00037622176588
                   +1 :               0.00037241551365
                   +2 :               0.00031439254691
                4p
                   -1 :              -0.00230648656913
                   +0 :               0.00132508011583
                   +1 :              -0.00038826714006
              3 vec=     7.570358      1.376162      5.671791   |vec|=    9.558941
                3s
                   +0 :              -0.00038291921401
                3p
                   -1 :               0.00104860328284
                   +0 :               0.00005785597801
                   +1 :               0.00072301546147
                4s
                   +0 :               0.00022762829047
                5s
                   +0 :               0.00000835276160
                3d
                   -2 :               0.00038990451526
                   -1 :               0.00038858256553
                   +0 :              -0.00004280334764
                   +1 :               0.00146572771954
                   +2 :               0.00174465669004
                4d
                   -2 :              -0.00023154979588
                   -1 :              -0.00050070243160
                   +0 :              -0.00003720775997
                   +1 :              -0.00086442304939
                   +2 :              -0.00121435884290
                4p
                   -1 :              -0.00204288565350
                   +0 :              -0.00001907931499
                   +1 :              -0.00104819967294
              4 vec=    -7.989968      1.376162      5.671791   |vec|=    9.894576
                3s
                   +0 :               0.00021085529100
                3p
                   -1 :               0.00017806368328
                   +0 :               0.00039993061163
                   +1 :               0.00026097571597
                4s
                   +0 :              -0.00067740149589
                5s
                   +0 :               0.00000039370761
                3d
                   -2 :               0.00007360298281
                   -1 :               0.00014055055223
                   +0 :               0.00019315227952
                   +1 :              -0.00003974874361
                   +2 :              -0.00086957164949
                4d
                   -2 :               0.00005490616814
                   -1 :              -0.00011513509694
                   +0 :              -0.00027811753066
                   +1 :               0.00051033555313
                   +2 :               0.00043259863923
                4p
                   -1 :              -0.00049089569719
                   +0 :              -0.00098864208064
                   +1 :              -0.00010213886273
              5 vec=     7.570358     -7.607596      5.671791   |vec|=   12.138989
                3s
                   +0 :              -0.00044812245193
                3p
                   -1 :               0.00005527738617
                   +0 :              -0.00029643490846
                   +1 :              -0.00026994002716
                4s
                   +0 :               0.00060123510543
                5s
                   +0 :              -0.00008923540734
                3d
                   -2 :              -0.00039122373054
                   -1 :               0.00027477581067
                   +0 :              -0.00071616313053
                   +1 :              -0.00097517599749
                   +2 :              -0.00071356833144
                4d
                   -2 :              -0.00002501128825
                   -1 :              -0.00009643804590
                   +0 :              -0.00000188094039
                   +1 :               0.00020245730294
                   +2 :               0.00018009868909
                4p
                   -1 :              -0.00017156907330
                   +0 :               0.00014197089521
                   +1 :               0.00025118557652
              6 vec=    -7.989968     -7.607596      5.671791   |vec|=   12.405012
                3s
                   +0 :              -0.00065797299243
                3p
                   -1 :               0.00018605779253
                   +0 :              -0.00021889529437
                   +1 :               0.00039601946008
                4s
                   +0 :               0.00125360442060
                5s
                   +0 :              -0.00005939804404
                3d
                   -2 :               0.00002037718000
                   -1 :               0.00015834967241
                   +0 :              -0.00025114388263
                   +1 :               0.00056372863090
                   +2 :              -0.00019634246292
                4d
                   -2 :               0.00033514364301
                   -1 :              -0.00031650615296
                   +0 :               0.00004757636305
                   +1 :              -0.00051884858367
                   +2 :               0.00019040452498
                4p
                   -1 :              -0.00044354422690
                   +0 :               0.00038073418328
                   +1 :              -0.00076738464216
              7 vec=    -0.209805    -12.099475      5.671791   |vec|=   13.364525
                3s
                   +0 :               0.00002725370047
                3p
                   -1 :              -0.00005801841360
                   +0 :               0.00006312152897
                   +1 :               0.00005763251772
                4s
                   +0 :              -0.00019149439695
                5s
                   +0 :              -0.00000543371690
                3d
                   -2 :              -0.00005291733528
                   -1 :              -0.00028158203565
                   +0 :              -0.00015737690828
                   +1 :               0.00014660900627
                   +2 :               0.00002053591512
                4d
                   -2 :               0.00002298920898
                   -1 :               0.00012903560281
                   +0 :              -0.00000018451235
                   +1 :              -0.00010120730101
                   +2 :               0.00002735195261
                4p
                   -1 :               0.00014705227935
                   +0 :              -0.00007867253895
                   +1 :              -0.00007889049795
              8 vec=     7.570358     10.359920      5.671791   |vec|=   14.028809
                3s
                   +0 :              -0.00070783808690
                3p
                   -1 :              -0.00056629718654
                   +0 :              -0.00012217935690
                   +1 :              -0.00005961949541
                4s
                   +0 :               0.00115860652659
                5s
                   +0 :              -0.00006209216729
                3d
                   -2 :              -0.00009612866510
                   -1 :              -0.00057988874113
                   +0 :              -0.00001753560416
                   +1 :               0.00003164247003
                   +2 :               0.00030284974061
                4d
                   -2 :              -0.00002450384446
                   -1 :               0.00038274154110
                   +0 :              -0.00007938779248
                   +1 :               0.00002379123407
                   +2 :              -0.00038164423395
                4p
                   -1 :               0.00094076348986
                   +0 :               0.00015369170884
                   +1 :               0.00001447160139
              9 vec=    -7.989968     10.359920      5.671791   |vec|=   14.259619
                3s
                   +0 :               0.00001576824956
                3p
                   -1 :               0.00007639123535
                   +0 :               0.00003445951625
                   +1 :              -0.00009740396978
                4s
                   +0 :              -0.00008363213185
                5s
                   +0 :              -0.00001960322294
                3d
                   -2 :               0.00002117924971
                   -1 :               0.00005650578381
                   +0 :               0.00000591298307
                   +1 :              -0.00019415724775
                   +2 :              -0.00006768158258
                4d
                   -2 :               0.00012614059326
                   -1 :              -0.00005063501252
                   +0 :              -0.00002745941283
                   +1 :               0.00009915919479
                   +2 :               0.00003504313695
                4p
                   -1 :              -0.00007804606793
                   +0 :              -0.00006127470709
                   +1 :               0.00024797083702
             10 vec=    -0.209805     14.851799      5.671791   |vec|=   15.899345
                3s
                   +0 :              -0.00020189466683
                3p
                   -1 :              -0.00008759459679
                   +0 :              -0.00005550737044
                   +1 :               0.00004756426020
                4s
                   +0 :               0.00038543532411
                5s
                   +0 :               0.00000178178603
                3d
                   -2 :               0.00006043205046
                   -1 :              -0.00001525903974
                   +0 :               0.00007585880267
                   +1 :               0.00003077123509
                   +2 :               0.00012256496967
                4d
                   -2 :               0.00000317458503
                   -1 :               0.00012461321136
                   +0 :               0.00001883546135
                   +1 :              -0.00000694427322
                   +2 :              -0.00006072525024
                4p
                   -1 :               0.00016692019533
                   +0 :               0.00013464675172
                   +1 :              -0.00004791842605
             11 vec=    15.350520     -3.115717      5.671791   |vec|=   16.658793
                3s
                   +0 :               0.00002743160353
                3p
                   -1 :              -0.00001622360789
                   +0 :               0.00002005154888
                   +1 :              -0.00002342687925
                4s
                   +0 :              -0.00012503802319
                5s
                   +0 :              -0.00000001863143
                3d
                   -2 :               0.00008801169662
                   -1 :               0.00010668420643
                   +0 :              -0.00000235344067
                   +1 :              -0.00006530201791
                   +2 :              -0.00003374991209
                4d
                   -2 :               0.00003049912330
                   -1 :               0.00005155753500
                   +0 :              -0.00001186758741
                   +1 :              -0.00002423803188
                   +2 :               0.00004777432443
                4p
                   -1 :               0.00008954332856
                   +0 :              -0.00008289475447
                   +1 :               0.00000652267492
             12 vec=   -15.770130     -3.115717      5.671791   |vec|=   17.046229
                3s
                   +0 :              -0.00004096077720
                3p
                   -1 :               0.00002607340140
                   +0 :              -0.00001160571400
                   +1 :               0.00004962965620
                4s
                   +0 :               0.00002768669903
                5s
                   +0 :              -0.00001822640116
                3d
                   -2 :              -0.00009080922315
                   -1 :               0.00010575021383
                   +0 :              -0.00003478487390
                   +1 :               0.00009814727808
                   +2 :              -0.00001339693011
                4d
                   -2 :               0.00001559691556
                   -1 :              -0.00001010437786
                   +0 :              -0.00000082105577
                   +1 :              -0.00003054746193
                   +2 :               0.00002470942225
                4p
                   -1 :              -0.00000118042213
                   +0 :              -0.00001368987220
                   +1 :              -0.00005729029271
             13 vec=    15.350520      5.868041      5.671791   |vec|=   17.385097
                3s
                   +0 :              -0.00002095676344
                3p
                   -1 :               0.00003372915804
                   +0 :              -0.00002486967036
                   +1 :              -0.00003761784515
                4s
                   +0 :              -0.00004097351448
                5s
                   +0 :               0.00002125265191
                3d
                   -2 :               0.00003450677055
                   -1 :               0.00003892980117
                   +0 :               0.00000544138739
                   +1 :               0.00001892555145
                   +2 :               0.00000163631540
                4d
                   -2 :              -0.00006757062400
                   -1 :              -0.00002731026634
                   +0 :              -0.00002887364749
                   +1 :               0.00001320968843
                   +2 :               0.00002242367756
                4p
                   -1 :              -0.00008522581783
                   +0 :               0.00002469897907
                   +1 :               0.00005557803523
             14 vec=   -15.770130      5.868041      5.671791   |vec|=   17.756693
                3s
                   +0 :              -0.00003879477901
                3p
                   -1 :               0.00000456546311
                   +0 :               0.00000655945150
                   +1 :               0.00003116334491
                4s
                   +0 :               0.00005434406892
                5s
                   +0 :              -0.00000785923456
                3d
                   -2 :               0.00002232948574
                   -1 :               0.00003355599909
                   +0 :              -0.00001673086024
                   +1 :              -0.00003456967062
                   +2 :              -0.00002359122022
                4d
                   -2 :               0.00001273790319
                   -1 :              -0.00000684082152
                   +0 :              -0.00000600964618
                   +1 :              -0.00002131813487
                   +2 :               0.00002606279154
                4p
                   -1 :              -0.00001562574746
                   +0 :              -0.00000259362421
                   +1 :              -0.00005965019236
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al(  4)  npairs=  14
              1 vec=    -0.209805     -3.115717     -1.580534   |vec|=    3.499971
                2s
                   +0 :              -0.02275386207550
                2p
                   -1 :               0.02223349821317
                   +0 :               0.00427784824538
                   +1 :               0.00037185960657
                3s
                   +0 :              -0.03255549931845
                4s
                   +0 :              -0.00974092723878
                3p
                   -1 :               0.05847894762870
                   +0 :              -0.01464607400681
                   +1 :               0.00735817849595
                4p
                   -1 :               0.00947311884455
                   +0 :               0.00320216388825
                   +1 :              -0.00177083018209
                3d
                   -2 :              -0.00379004245067
                   -1 :              -0.00117725347356
                   +0 :               0.03083815092791
                   +1 :               0.00080380779358
                   +2 :               0.03753455752351
              2 vec=    -0.209805      5.868041     -1.580534   |vec|=    6.080790
                2s
                   +0 :               0.00169302941296
                2p
                   -1 :               0.00144187987236
                   +0 :               0.00036276619194
                   +1 :              -0.00007953444170
                3s
                   +0 :              -0.00347095306547
                4s
                   +0 :               0.00351935131422
                3p
                   -1 :              -0.00579361287608
                   +0 :               0.00124412247521
                   +1 :              -0.00259630956907
                4p
                   -1 :               0.00203944850768
                   +0 :               0.00050332317797
                   +1 :               0.00051238153874
                3d
                   -2 :              -0.00095244235090
                   -1 :               0.00169151509713
                   +0 :              -0.00003960429491
                   +1 :              -0.00006413211052
                   +2 :               0.00256481826473
              3 vec=     7.570358      1.376162     -1.580534   |vec|=    7.855076
                2s
                   +0 :              -0.00019019967944
                2p
                   -1 :              -0.00077676770373
                   +0 :              -0.00019853246198
                   +1 :               0.00008510280927
                3s
                   +0 :               0.00580774683905
                4s
                   +0 :              -0.00088913797135
                3p
                   -1 :               0.00632961795823
                   +0 :               0.00142305400513
                   +1 :               0.00518113814784
                4p
                   -1 :              -0.00114189655572
                   +0 :              -0.00104940856491
                   +1 :              -0.00025560707881
                3d
                   -2 :               0.00214481419954
                   -1 :              -0.00061311379274
                   +0 :              -0.00117423942935
                   +1 :              -0.00050717294588
                   +2 :               0.00018084809717
              4 vec=    -7.989968      1.376162     -1.580534   |vec|=    8.260236
                2s
                   +0 :               0.00045008896139
                2p
                   -1 :              -0.00043193737661
                   +0 :               0.00022693433927
                   +1 :              -0.00089291429700
                3s
                   +0 :              -0.00203109690055
                4s
                   +0 :               0.00078774100383
                3p
                   -1 :               0.00250218507712
                   +0 :              -0.00102085270860
                   +1 :               0.00374908050745
                4p
                   -1 :              -0.00079014208908
                   +0 :               0.00025500904490
                   +1 :              -0.00122041877758
                3d
                   -2 :              -0.00042030609448
                   -1 :              -0.00079352444542
                   +0 :              -0.00003369872278
                   +1 :              -0.00013345992424
                   +2 :              -0.00066193107490
              5 vec=     7.570358     -7.607596     -1.580534   |vec|=   10.848222
                2s
                   +0 :              -0.00007692098683
                2p
                   -1 :              -0.00000051890791
                   +0 :               0.00009703474673
                   +1 :               0.00003439024295
                3s
                   +0 :              -0.00069491835836
                4s
                   +0 :               0.00015159828325
                3p
                   -1 :               0.00041329257222
                   +0 :              -0.00128263166603
                   +1 :              -0.00112976317522
                4p
                   -1 :              -0.00017854738741
                   +0 :               0.00015343520663
                   +1 :               0.00033663477221
                3d
                   -2 :               0.00009510439729
                   -1 :               0.00028848529332
                   +0 :              -0.00018305326923
                   +1 :              -0.00016826653464
                   +2 :              -0.00013703071380
              6 vec=    -7.989968     -7.607596     -1.580534   |vec|=   11.145097
                2s
                   +0 :               0.00002230894293
                2p
                   -1 :               0.00006653263655
                   +0 :              -0.00000335519993
                   +1 :              -0.00005245605697
                3s
                   +0 :              -0.00125574984059
                4s
                   +0 :               0.00039879402574
                3p
                   -1 :               0.00012438238073
                   +0 :              -0.00054661637071
                   +1 :               0.00086317290151
                4p
                   -1 :              -0.00011676529481
                   +0 :               0.00004620472284
                   +1 :              -0.00023277315872
                3d
                   -2 :               0.00002865553190
                   -1 :               0.00002474282756
                   +0 :              -0.00027589769220
                   +1 :               0.00029193016753
                   +2 :              -0.00028786644653
              7 vec=    -0.209805    -12.099475     -1.580534   |vec|=   12.204073
                2s
                   +0 :               0.00000865194836
                2p
                   -1 :               0.00000408169457
                   +0 :              -0.00018953438606
                   +1 :              -0.00006287393888
                3s
                   +0 :               0.00011048121505
                4s
                   +0 :              -0.00014221899197
                3p
                   -1 :              -0.00009362036550
                   +0 :               0.00091474877010
                   +1 :               0.00031341146750
                4p
                   -1 :               0.00008325293951
                   +0 :              -0.00025793045906
                   +1 :              -0.00003073569201
                3d
                   -2 :              -0.00005650720186
                   -1 :              -0.00004567209072
                   +0 :              -0.00010777234129
                   +1 :              -0.00003821758996
                   +2 :              -0.00003328753354
              8 vec=     7.570358     10.359920     -1.580534   |vec|=   12.928122
                2s
                   +0 :               0.00003205534087
                2p
                   -1 :               0.00006323777314
                   +0 :               0.00020784313963
                   +1 :              -0.00021279915036
                3s
                   +0 :              -0.00029960981360
                4s
                   +0 :               0.00025332496738
                3p
                   -1 :              -0.00034851074366
                   +0 :              -0.00086195117208
                   +1 :               0.00094405157216
                4p
                   -1 :               0.00016183056720
                   +0 :               0.00021681737385
                   +1 :              -0.00018865625586
                3d
                   -2 :               0.00031351113894
                   -1 :              -0.00016745758376
                   +0 :              -0.00012433584185
                   +1 :              -0.00005633594785
                   +2 :               0.00009737677401
              9 vec=    -7.989968     10.359920     -1.580534   |vec|=   13.178225
                2s
                   +0 :              -0.00022049688777
                2p
                   -1 :              -0.00005147617283
                   +0 :               0.00002104918881
                   +1 :               0.00015090322061
                3s
                   +0 :               0.00064941691504
                4s
                   +0 :              -0.00027910049384
                3p
                   -1 :               0.00026840654135
                   +0 :               0.00020432401304
                   +1 :              -0.00061479247091
                4p
                   -1 :              -0.00004141465776
                   +0 :              -0.00001257165250
                   +1 :               0.00017979430284
                3d
                   -2 :              -0.00008476129197
                   -1 :              -0.00005325637580
                   +0 :              -0.00008932453581
                   +1 :               0.00000215566811
                   +2 :               0.00002613077379
             10 vec=    -0.209805     14.851799     -1.580534   |vec|=   14.937136
                2s
                   +0 :              -0.00003983702086
                2p
                   -1 :               0.00000084371094
                   +0 :               0.00001839797952
                   +1 :               0.00001367391328
                3s
                   +0 :               0.00022891740408
                4s
                   +0 :              -0.00008605673376
                3p
                   -1 :               0.00011775629090
                   +0 :               0.00001264800435
                   +1 :              -0.00011685458557
                4p
                   -1 :              -0.00005724449040
                   +0 :              -0.00000437613713
                   +1 :               0.00004560386133
                3d
                   -2 :              -0.00006067554639
                   -1 :               0.00005986994382
                   +0 :              -0.00006980904125
                   +1 :               0.00000395516638
                   +2 :              -0.00000190936748
             11 vec=    15.350520     -3.115717     -1.580534   |vec|=   15.743070
                2s
                   +0 :               0.00002065631124
                2p
                   -1 :               0.00003968549224
                   +0 :              -0.00000955718645
                   +1 :               0.00000844699377
                3s
                   +0 :              -0.00007635085425
                4s
                   +0 :               0.00004022865594
                3p
                   -1 :              -0.00020626546727
                   +0 :              -0.00006794003611
                   +1 :              -0.00005208253241
                4p
                   -1 :               0.00007305728345
                   +0 :               0.00005364465367
                   +1 :               0.00002646597796
                3d
                   -2 :              -0.00002053708651
                   -1 :              -0.00000628138137
                   +0 :              -0.00000036587356
                   +1 :              -0.00000929126850
                   +2 :               0.00004881898664
             12 vec=   -15.770130     -3.115717     -1.580534   |vec|=   16.152486
                2s
                   +0 :               0.00001684674345
                2p
                   -1 :              -0.00000407667433
                   +0 :               0.00000977416111
                   +1 :               0.00000362934236
                3s
                   +0 :              -0.00011529733394
                4s
                   +0 :               0.00003236653189
                3p
                   -1 :               0.00006367334378
                   +0 :              -0.00007224616022
                   +1 :               0.00000762829176
                4p
                   -1 :              -0.00001335530849
                   +0 :              -0.00000164259253
                   +1 :              -0.00000265661028
                3d
                   -2 :              -0.00001661269669
                   -1 :               0.00001098718847
                   +0 :              -0.00003821531833
                   +1 :               0.00001365435598
                   +2 :              -0.00000450959089
             13 vec=    15.350520      5.868041     -1.580534   |vec|=   16.509708
                2s
                   +0 :              -0.00004272775515
                2p
                   -1 :              -0.00001841005575
                   +0 :               0.00000405767337
                   +1 :              -0.00002268827794
                3s
                   +0 :               0.00027704179892
                4s
                   +0 :              -0.00013399440253
                3p
                   -1 :               0.00010014905170
                   +0 :              -0.00001502987784
                   +1 :               0.00023708329687
                4p
                   -1 :              -0.00001967038820
                   +0 :              -0.00000007354759
                   +1 :              -0.00009650132627
                3d
                   -2 :               0.00003190947840
                   -1 :               0.00001584783418
                   +0 :               0.00001489083514
                   +1 :              -0.00000853898598
                   +2 :               0.00002393502494
             14 vec=   -15.770130      5.868041     -1.580534   |vec|=   16.900562
                2s
                   +0 :               0.00001483604083
                2p
                   -1 :               0.00000107924293
                   +0 :               0.00002430531342
                   +1 :               0.00003108349946
                3s
                   +0 :              -0.00008045163521
                4s
                   +0 :               0.00004038833627
                3p
                   -1 :              -0.00003264730200
                   +0 :              -0.00010951625274
                   +1 :              -0.00013600357294
                4p
                   -1 :               0.00001429433680
                   +0 :               0.00002178712510
                   +1 :               0.00002416227206
                3d
                   -2 :              -0.00003019543051
                   -1 :               0.00001045586728
                   +0 :              -0.00001432451473
                   +1 :               0.00003279031693
                   +2 :               0.00003625852851
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al(  5)  npairs=  14
              1 vec=    -2.803193      1.376162     -5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00468867730108
                2p
                   -1 :               0.00079875473973
                   +0 :              -0.00284108233088
                   +1 :              -0.00217023425338
                3s
                   +0 :              -0.01192582641962
                4s
                   +0 :               0.00758271288180
                3p
                   -1 :              -0.00344219335122
                   +0 :               0.01196939510584
                   +1 :               0.00715502213681
                4p
                   -1 :               0.00184700174687
                   +0 :              -0.00555795955798
                   +1 :              -0.00351685652809
                3d
                   -2 :              -0.00093824888794
                   -1 :               0.00048591298278
                   +0 :              -0.00203065063016
                   +1 :              -0.00079469506815
                   +2 :               0.00119347403415
              2 vec=     4.976970     -3.115717     -5.671873   |vec|=    8.163827
                2s
                   +0 :              -0.00129721923570
                2p
                   -1 :               0.00079186887317
                   +0 :               0.00049730957250
                   +1 :              -0.00096026659371
                3s
                   +0 :              -0.01020466411723
                4s
                   +0 :              -0.00147360580282
                3p
                   -1 :              -0.00049398889676
                   +0 :               0.00032233613067
                   +1 :              -0.00843375506690
                4p
                   -1 :               0.00172322733383
                   +0 :               0.00041189566812
                   +1 :              -0.00074868508275
                3d
                   -2 :               0.00208584555677
                   -1 :               0.00011091721940
                   +0 :               0.00217990240613
                   +1 :               0.00066151973614
                   +2 :              -0.00295820355581
              3 vec=     4.976970      5.868041     -5.671873   |vec|=    9.558990
                2s
                   +0 :              -0.00046998679130
                2p
                   -1 :              -0.00015188029463
                   +0 :               0.00011475804346
                   +1 :               0.00105752030303
                3s
                   +0 :               0.00087021723411
                4s
                   +0 :              -0.00020816530419
                3p
                   -1 :               0.00094588193140
                   +0 :              -0.00066368138882
                   +1 :              -0.00474429431804
                4p
                   -1 :              -0.00017183634282
                   +0 :               0.00027253191330
                   +1 :               0.00102621012136
                3d
                   -2 :              -0.00102906541158
                   -1 :               0.00019654237598
                   +0 :              -0.00018986146735
                   +1 :               0.00091256597397
                   +2 :               0.00020172305855
              4 vec=    -2.803193     -7.607596     -5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00007941618431
                2p
                   -1 :               0.00027166268151
                   +0 :              -0.00035280374578
                   +1 :               0.00014015310149
                3s
                   +0 :              -0.00012378419400
                4s
                   +0 :              -0.00016658351790
                3p
                   -1 :              -0.00121603360884
                   +0 :               0.00223614209657
                   +1 :              -0.00077041161819
                4p
                   -1 :               0.00068398672400
                   +0 :              -0.00060096920233
                   +1 :               0.00020973615382
                3d
                   -2 :               0.00027898412099
                   -1 :              -0.00039283855361
                   +0 :              -0.00019763838788
                   +1 :              -0.00013978203559
                   +2 :               0.00030749984489
              5 vec=    -2.803193     10.359920     -5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00039150420687
                2p
                   -1 :              -0.00024216204874
                   +0 :               0.00015489025355
                   +1 :              -0.00009900792779
                3s
                   +0 :               0.00071204004313
                4s
                   +0 :              -0.00040770381486
                3p
                   -1 :               0.00097986010346
                   +0 :               0.00001471557933
                   +1 :               0.00008499807580
                4p
                   -1 :              -0.00031676742905
                   +0 :               0.00012687931904
                   +1 :              -0.00009764232978
                3d
                   -2 :              -0.00009531315116
                   -1 :               0.00004171048109
                   +0 :              -0.00025528120317
                   +1 :               0.00003810617528
                   +2 :              -0.00008338601413
              6 vec=   -10.583355     -3.115717     -5.671873   |vec|=   12.405049
                2s
                   +0 :              -0.00048399139690
                2p
                   -1 :               0.00015628378683
                   +0 :               0.00018991218946
                   +1 :               0.00024657914653
                3s
                   +0 :               0.00126928469775
                4s
                   +0 :              -0.00026298232177
                3p
                   -1 :              -0.00060268194427
                   +0 :              -0.00070578029397
                   +1 :              -0.00119086082674
                4p
                   -1 :               0.00017279534522
                   +0 :               0.00014917125801
                   +1 :               0.00010831571015
                3d
                   -2 :               0.00026184383382
                   -1 :               0.00014235867993
                   +0 :              -0.00010853476669
                   +1 :               0.00041701024857
                   +2 :               0.00027608855116
              7 vec=   -10.583355      5.868041     -5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00017388838486
                2p
                   -1 :               0.00013874795281
                   +0 :              -0.00002231738929
                   +1 :              -0.00006068905006
                3s
                   +0 :              -0.00088793892109
                4s
                   +0 :               0.00022937802946
                3p
                   -1 :              -0.00078715955453
                   +0 :              -0.00003852913390
                   +1 :               0.00042921658630
                4p
                   -1 :               0.00016468487872
                   +0 :               0.00007015322331
                   +1 :              -0.00010999966865
                3d
                   -2 :               0.00016272297131
                   -1 :               0.00006200462223
                   +0 :              -0.00003588820058
                   +1 :              -0.00000555795954
                   +2 :               0.00013400800895
              8 vec=    12.757133      1.376162     -5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00042933358898
                2p
                   -1 :               0.00018349993568
                   +0 :               0.00005464118877
                   +1 :              -0.00025722766331
                3s
                   +0 :               0.00107808064583
                4s
                   +0 :              -0.00022654473146
                3p
                   -1 :              -0.00087268887122
                   +0 :              -0.00024412276656
                   +1 :               0.00088925975708
                4p
                   -1 :               0.00019284344427
                   +0 :               0.00005826788184
                   +1 :              -0.00007410616809
                3d
                   -2 :              -0.00019633032721
                   -1 :               0.00009108061696
                   +0 :              -0.00010209470209
                   +1 :              -0.00016030795842
                   +2 :               0.00016774827280
              9 vec=     4.976970    -12.099475     -5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00000004643401
                2p
                   -1 :              -0.00007220099271
                   +0 :               0.00001608529544
                   +1 :              -0.00002720982074
                3s
                   +0 :               0.00002743665637
                4s
                   +0 :              -0.00009001420554
                3p
                   -1 :               0.00032110518880
                   +0 :              -0.00024116254020
                   +1 :               0.00023572823905
                4p
                   -1 :              -0.00000982888074
                   +0 :               0.00008490962029
                   +1 :              -0.00004879786256
                3d
                   -2 :               0.00008315707266
                   -1 :              -0.00004208358992
                   +0 :              -0.00001755671866
                   +1 :              -0.00004637834154
                   +2 :               0.00011322144790
             10 vec=    12.757133     -7.607596     -5.671873   |vec|=   15.899374
                2s
                   +0 :              -0.00008871988271
                2p
                   -1 :               0.00001620790304
                   +0 :              -0.00000032001064
                   +1 :              -0.00001356901109
                3s
                   +0 :               0.00021835205303
                4s
                   +0 :              -0.00005689359502
                3p
                   -1 :               0.00000234051699
                   +0 :               0.00000700688900
                   +1 :               0.00006926002427
                4p
                   -1 :              -0.00001224841126
                   +0 :              -0.00002112417694
                   +1 :              -0.00001098655226
                3d
                   -2 :              -0.00000310172075
                   -1 :               0.00000029220599
                   +0 :               0.00002192520757
                   +1 :              -0.00003523265448
                   +2 :               0.00002358305951
             11 vec=     4.976970     14.851799     -5.671873   |vec|=   16.658821
                2s
                   +0 :               0.00004136131549
                2p
                   -1 :              -0.00000266325131
                   +0 :               0.00000126206443
                   +1 :              -0.00002555621186
                3s
                   +0 :              -0.00017898271230
                4s
                   +0 :               0.00002840130929
                3p
                   -1 :              -0.00004939655800
                   +0 :               0.00006827031499
                   +1 :               0.00019330962321
                4p
                   -1 :              -0.00000600619642
                   +0 :              -0.00000816870179
                   +1 :              -0.00005123026519
                3d
                   -2 :               0.00004605739746
                   -1 :               0.00003409348533
                   +0 :              -0.00000641003094
                   +1 :              -0.00005504709092
                   +2 :              -0.00000716313546
             12 vec=   -10.583355    -12.099475     -5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00003870046553
                2p
                   -1 :               0.00002952628343
                   +0 :               0.00000970373677
                   +1 :               0.00004435825517
                3s
                   +0 :              -0.00000679886431
                4s
                   +0 :              -0.00005503574650
                3p
                   -1 :              -0.00013766965835
                   +0 :               0.00006190542487
                   +1 :              -0.00010798630039
                4p
                   -1 :               0.00004618524475
                   +0 :              -0.00000753845248
                   +1 :               0.00004556975748
                3d
                   -2 :               0.00004939980085
                   -1 :               0.00000985825709
                   +0 :              -0.00003013371240
                   +1 :              -0.00000289903929
                   +2 :              -0.00001720839850
             13 vec=    12.757133     10.359920     -5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00000020832840
                2p
                   -1 :               0.00000411599236
                   +0 :               0.00000236042516
                   +1 :               0.00003124755951
                3s
                   +0 :              -0.00006602287519
                4s
                   +0 :               0.00006579248866
                3p
                   -1 :              -0.00005128372782
                   +0 :               0.00003879589017
                   +1 :              -0.00021509999095
                4p
                   -1 :               0.00003659339047
                   +0 :              -0.00002947960739
                   +1 :               0.00008197556722
                3d
                   -2 :              -0.00001808636690
                   -1 :               0.00000518729765
                   +0 :              -0.00002754809144
                   +1 :               0.00001772331003
                   +2 :              -0.00005316775848
             14 vec=    -2.803193    -16.591354     -5.671873   |vec|=   17.756719
                2s
                   +0 :              -0.00001104589273
                2p
                   -1 :               0.00002431242553
                   +0 :              -0.00000067375415
                   +1 :              -0.00000451447258
                3s
                   +0 :               0.00002429580227
                4s
                   +0 :              -0.00003035575856
                3p
                   -1 :              -0.00012258911169
                   +0 :              -0.00001174445851
                   +1 :               0.00003382419895
                4p
                   -1 :               0.00004021531732
                   +0 :               0.00000984420181
                   +1 :              -0.00001881681630
                3d
                   -2 :               0.00000359956079
                   -1 :               0.00001820263761
                   +0 :              -0.00000585644871
                   +1 :               0.00000390381632
                   +2 :              -0.00001356384622
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al(  6)  npairs=  14
              1 vec=    -2.803193      1.376162      1.580453   |vec|=    3.499934
                2s
                   +0 :               0.02319819231703
                2p
                   -1 :               0.01087630712322
                   +0 :               0.00414452684925
                   +1 :              -0.01963512154368
                3s
                   +0 :               0.02773824484192
                4s
                   +0 :               0.01052049015537
                3p
                   -1 :               0.02197633557663
                   +0 :              -0.01236808515689
                   +1 :              -0.05106324608575
                4p
                   -1 :               0.00639291115286
                   +0 :               0.00279678113405
                   +1 :              -0.00769437174372
                3d
                   -2 :              -0.03015826809292
                   -1 :               0.00170371408656
                   +0 :              -0.03091248857204
                   +1 :              -0.00166113271770
                   +2 :               0.02164294646170
              2 vec=     4.976970     -3.115717      1.580453   |vec|=    6.080769
                2s
                   +0 :              -0.00203884440655
                2p
                   -1 :               0.00087302315623
                   +0 :               0.00051798275474
                   +1 :              -0.00107861274970
                3s
                   +0 :               0.00471646373715
                4s
                   +0 :              -0.00388459098588
                3p
                   -1 :              -0.00107823115895
                   +0 :               0.00054658586125
                   +1 :               0.00571011963636
                4p
                   -1 :               0.00055126128339
                   +0 :               0.00074650583341
                   +1 :              -0.00190289919440
                3d
                   -2 :              -0.00179408207104
                   -1 :              -0.00064943911448
                   +0 :               0.00031338434322
                   +1 :               0.00145997701903
                   +2 :               0.00187635739218
              3 vec=     4.976970      5.868041      1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00026929623119
                2p
                   -1 :              -0.00053764021464
                   +0 :              -0.00019338266058
                   +1 :               0.00067293994791
                3s
                   +0 :              -0.00619495537877
                4s
                   +0 :               0.00071747982804
                3p
                   -1 :              -0.00056626492272
                   +0 :               0.00157613254510
                   +1 :              -0.00860580472737
                4p
                   -1 :              -0.00054252115751
                   +0 :              -0.00100323039420
                   +1 :               0.00107256462132
                3d
                   -2 :              -0.00108446537697
                   -1 :              -0.00024925747679
                   +0 :               0.00112280705587
                   +1 :              -0.00071076777496
                   +2 :              -0.00176595899163
              4 vec=    -2.803193     -7.607596      1.580453   |vec|=    8.260220
                2s
                   +0 :              -0.00005442190349
                2p
                   -1 :               0.00030876963759
                   +0 :               0.00016340938356
                   +1 :               0.00058748235384
                3s
                   +0 :               0.00055525428149
                4s
                   +0 :              -0.00018283329488
                3p
                   -1 :              -0.00069914338358
                   +0 :              -0.00065296180064
                   +1 :              -0.00298285913560
                4p
                   -1 :               0.00032158174858
                   +0 :               0.00011559389919
                   +1 :               0.00097493443766
                3d
                   -2 :               0.00063607633354
                   -1 :               0.00001864798561
                   +0 :               0.00014711077489
                   +1 :              -0.00081072326891
                   +2 :               0.00006721034436
              5 vec=    -2.803193     10.359920      1.580453   |vec|=   10.848210
                2s
                   +0 :              -0.00024126180737
                2p
                   -1 :              -0.00013138267739
                   +0 :               0.00024609076160
                   +1 :              -0.00008244639336
                3s
                   +0 :               0.00204537252114
                4s
                   +0 :              -0.00035798481614
                3p
                   -1 :               0.00160474002475
                   +0 :              -0.00205406996065
                   +1 :               0.00061605556140
                4p
                   -1 :              -0.00042406810398
                   +0 :               0.00028291412567
                   +1 :              -0.00007686214463
                3d
                   -2 :               0.00021400328114
                   -1 :              -0.00037612502610
                   +0 :               0.00025354455201
                   +1 :               0.00011007177517
                   +2 :              -0.00014100505792
              6 vec=   -10.583355     -3.115717      1.580453   |vec|=   11.145086
                2s
                   +0 :               0.00015769455718
                2p
                   -1 :               0.00000795519194
                   +0 :              -0.00005882262110
                   +1 :              -0.00003389786174
                3s
                   +0 :               0.00067684971142
                4s
                   +0 :              -0.00025333197157
                3p
                   -1 :              -0.00032725572568
                   +0 :              -0.00033220638872
                   +1 :              -0.00061036197735
                4p
                   -1 :               0.00007695569121
                   +0 :               0.00002764276895
                   +1 :               0.00024856666344
                3d
                   -2 :               0.00019800932682
                   -1 :               0.00012966447832
                   +0 :               0.00021452975734
                   +1 :               0.00012299208615
                   +2 :              -0.00010397918740
              7 vec=   -10.583355      5.868041      1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00024667071581
                2p
                   -1 :               0.00002862410372
                   +0 :              -0.00017690069194
                   +1 :               0.00006522315363
                3s
                   +0 :               0.00059285544118
                4s
                   +0 :               0.00001381624974
                3p
                   -1 :              -0.00027055116147
                   +0 :               0.00086486281609
                   +1 :              -0.00024407372395
                4p
                   -1 :               0.00010102554583
                   +0 :              -0.00021536973493
                   +1 :              -0.00006979751784
                3d
                   -2 :               0.00008127364992
                   -1 :              -0.00002935561519
                   +0 :               0.00010516493247
                   +1 :              -0.00016904796998
                   +2 :               0.00009662871780
              8 vec=    12.757133      1.376162      1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00006055490295
                2p
                   -1 :               0.00015826926501
                   +0 :               0.00016288979270
                   +1 :               0.00007718392003
                3s
                   +0 :               0.00014735962347
                4s
                   +0 :              -0.00018775596034
                3p
                   -1 :              -0.00079177734184
                   +0 :              -0.00073072499443
                   +1 :              -0.00020656846040
                4p
                   -1 :               0.00019693310664
                   +0 :               0.00018868253623
                   +1 :              -0.00004412554744
                3d
                   -2 :              -0.00021153960129
                   -1 :              -0.00003327055088
                   +0 :               0.00007928603504
                   +1 :              -0.00017477194491
                   +2 :              -0.00016365637391
              9 vec=     4.976970    -12.099475      1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00013932185379
                2p
                   -1 :              -0.00013223799531
                   +0 :               0.00003159274281
                   +1 :              -0.00004917170283
                3s
                   +0 :              -0.00010771993358
                4s
                   +0 :               0.00015092976409
                3p
                   -1 :               0.00044576586782
                   +0 :               0.00006615614309
                   +1 :               0.00011528660210
                4p
                   -1 :              -0.00012128887096
                   +0 :              -0.00001821178209
                   +1 :              -0.00008105909311
                3d
                   -2 :              -0.00000181628079
                   -1 :               0.00008540043188
                   +0 :               0.00011605864853
                   +1 :              -0.00000773313733
                   +2 :               0.00007927484437
             10 vec=    12.757133     -7.607596      1.580453   |vec|=   14.937128
                2s
                   +0 :               0.00005600112199
                2p
                   -1 :              -0.00000287253388
                   +0 :               0.00000972441563
                   +1 :              -0.00001164275492
                3s
                   +0 :              -0.00022608116651
                4s
                   +0 :               0.00010610832506
                3p
                   -1 :               0.00011499203215
                   +0 :               0.00006503590365
                   +1 :              -0.00001220940410
                4p
                   -1 :              -0.00005764138822
                   +0 :              -0.00002698149556
                   +1 :               0.00001537878536
                3d
                   -2 :               0.00001725661291
                   -1 :              -0.00003144448103
                   +0 :               0.00004028398403
                   +1 :               0.00004802630770
                   +2 :               0.00005453085561
             11 vec=     4.976970     14.851799      1.580453   |vec|=   15.743062
                2s
                   +0 :              -0.00006581369298
                2p
                   -1 :              -0.00000528072988
                   +0 :               0.00000476840733
                   +1 :              -0.00003316128812
                3s
                   +0 :               0.00032054052289
                4s
                   +0 :              -0.00006077628717
                3p
                   -1 :               0.00004877435193
                   +0 :              -0.00016226642413
                   +1 :               0.00016656580566
                4p
                   -1 :               0.00000331051460
                   +0 :               0.00005002984970
                   +1 :              -0.00006924953433
                3d
                   -2 :              -0.00004162265963
                   -1 :              -0.00005077239336
                   +0 :               0.00002382862750
                   +1 :               0.00000048409870
                   +2 :               0.00004267259914
             12 vec=   -10.583355    -12.099475      1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00001371284751
                2p
                   -1 :              -0.00000357586274
                   +0 :              -0.00000031604098
                   +1 :               0.00000230073098
                3s
                   +0 :              -0.00002972864373
                4s
                   +0 :              -0.00000174749485
                3p
                   -1 :               0.00002681885823
                   +0 :              -0.00000494259376
                   +1 :              -0.00006962647831
                4p
                   -1 :               0.00000168842389
                   +0 :              -0.00000936836490
                   +1 :               0.00002770557044
                3d
                   -2 :               0.00002447506375
                   -1 :               0.00001349458779
                   +0 :               0.00000222687321
                   +1 :              -0.00000808261957
                   +2 :               0.00001403291005
             13 vec=    12.757133     10.359920      1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00003065800567
                2p
                   -1 :              -0.00001478232055
                   +0 :               0.00001363577729
                   +1 :               0.00000538074292
                3s
                   +0 :               0.00004535384375
                4s
                   +0 :               0.00005388839846
                3p
                   -1 :              -0.00002902809210
                   +0 :              -0.00007477576620
                   +1 :              -0.00006658214951
                4p
                   -1 :               0.00006108854510
                   +0 :               0.00001935167919
                   +1 :               0.00003112361451
                3d
                   -2 :              -0.00000709959043
                   -1 :              -0.00003144255860
                   +0 :              -0.00000101538211
                   +1 :              -0.00000474135712
                   +2 :              -0.00000200292725
             14 vec=    -2.803193    -16.591354      1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00000635741827
                2p
                   -1 :              -0.00001822686576
                   +0 :               0.00000959380742
                   +1 :              -0.00000646524057
                3s
                   +0 :               0.00007586822353
                4s
                   +0 :              -0.00004615560525
                3p
                   -1 :               0.00004223447513
                   +0 :              -0.00004119690333
                   +1 :               0.00003914143879
                4p
                   -1 :               0.00000632756613
                   +0 :               0.00000796176794
                   +1 :              -0.00001091162092
                3d
                   -2 :              -0.00001054393864
                   -1 :               0.00001158193491
                   +0 :               0.00000727757957
                   +1 :               0.00002117244877
                   +2 :               0.00002745765724
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al(  7)  npairs=  15
              1 vec=    -2.803193      1.376162    -10.693319   |vec|=   11.139963
                2s
                   +0 :              -0.00081277776187
                2p
                   -1 :              -0.00012830119458
                   +0 :               0.00043080300588
                   +1 :               0.00041065274754
                3s
                   +0 :               0.00079117448162
                4s
                   +0 :              -0.00029795438074
                3p
                   -1 :               0.00159376875865
                   +0 :              -0.00070471673379
                   +1 :              -0.00234947773713
                4p
                   -1 :              -0.00038919397533
                   +0 :               0.00017471595593
                   +1 :               0.00039481596192
                3d
                   -2 :              -0.00016007315080
                   -1 :              -0.00019736003289
                   +0 :              -0.00015071076129
                   +1 :               0.00028750760625
                   +2 :               0.00005571857552
              2 vec=     4.976970     -3.115717    -10.693319   |vec|=   12.199385
                2s
                   +0 :              -0.00004419561399
                2p
                   -1 :               0.00009816637183
                   +0 :               0.00008095794251
                   +1 :               0.00000556795801
                3s
                   +0 :              -0.00061737491796
                4s
                   +0 :               0.00014626255717
                3p
                   -1 :              -0.00072782664862
                   +0 :              -0.00037867295508
                   +1 :              -0.00053737751423
                4p
                   -1 :               0.00003036874699
                   +0 :              -0.00001000499078
                   +1 :              -0.00002099322646
                3d
                   -2 :              -0.00054621002840
                   -1 :               0.00033516022188
                   +0 :               0.00043183103864
                   +1 :              -0.00007595947907
                   +2 :               0.00000719406406
              3 vec=     4.976970      5.868041    -10.693319   |vec|=   13.173883
                2s
                   +0 :               0.00027180255620
                2p
                   -1 :               0.00003362661572
                   +0 :              -0.00002173841192
                   +1 :              -0.00015306408157
                3s
                   +0 :              -0.00239269035540
                4s
                   +0 :               0.00031866735159
                3p
                   -1 :              -0.00097376648064
                   +0 :               0.00118747400357
                   +1 :              -0.00023844472582
                4p
                   -1 :               0.00015387706985
                   +0 :              -0.00008605259946
                   +1 :              -0.00015469182750
                3d
                   -2 :              -0.00017804231848
                   -1 :               0.00026373750629
                   +0 :              -0.00018156118332
                   +1 :               0.00018172776728
                   +2 :              -0.00006230049089
              4 vec=    -2.803193     -7.607596    -10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00025249952021
                2p
                   -1 :              -0.00002495408929
                   +0 :               0.00000229530126
                   +1 :              -0.00000173153411
                3s
                   +0 :              -0.00276520093425
                4s
                   +0 :               0.00049002314423
                3p
                   -1 :               0.00162907246855
                   +0 :               0.00116577375109
                   +1 :               0.00010493745884
                4p
                   -1 :              -0.00013417832826
                   +0 :              -0.00009897629578
                   +1 :              -0.00010262572278
                3d
                   -2 :              -0.00003108147283
                   -1 :              -0.00050987863367
                   +0 :              -0.00024140779931
                   +1 :               0.00006463212014
                   +2 :               0.00040227603646
              5 vec=    -2.803193      1.376162     13.854224   |vec|=   14.201804
                2s
                   +0 :              -0.00011846445515
                2p
                   -1 :               0.00002402644483
                   +0 :              -0.00000676924884
                   +1 :               0.00000752381817
                3s
                   +0 :               0.00068046428869
                4s
                   +0 :              -0.00013511859044
                3p
                   -1 :              -0.00019204165839
                   +0 :               0.00004727259070
                   +1 :              -0.00000357092366
                4p
                   -1 :               0.00004927011196
                   +0 :               0.00000618032305
                   +1 :               0.00001877116474
                3d
                   -2 :               0.00000428128787
                   -1 :              -0.00005777268704
                   +0 :              -0.00003140601790
                   +1 :              -0.00007109212768
                   +2 :              -0.00000789477771
              6 vec=     4.976970     -3.115717     13.854224   |vec|=   15.047174
                2s
                   +0 :              -0.00024856852660
                2p
                   -1 :               0.00000015271228
                   +0 :              -0.00000793495782
                   +1 :              -0.00005818570945
                3s
                   +0 :               0.00076518154804
                4s
                   +0 :              -0.00010813505654
                3p
                   -1 :              -0.00000380262506
                   +0 :              -0.00006871814539
                   +1 :               0.00015803119019
                4p
                   -1 :              -0.00000381595207
                   +0 :               0.00006543217293
                   +1 :               0.00001316279586
                3d
                   -2 :              -0.00012191372499
                   -1 :               0.00003137434873
                   +0 :              -0.00009682734313
                   +1 :              -0.00000053168345
                   +2 :               0.00002631677787
              7 vec=    -2.803193     10.359920    -10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00001472895719
                2p
                   -1 :              -0.00000368375371
                   +0 :               0.00002079150468
                   +1 :               0.00003961022724
                3s
                   +0 :              -0.00000533103122
                4s
                   +0 :              -0.00002277925943
                3p
                   -1 :               0.00011250132149
                   +0 :              -0.00020641684044
                   +1 :              -0.00017608186320
                4p
                   -1 :              -0.00005002348419
                   +0 :               0.00004811095909
                   +1 :               0.00002084303329
                3d
                   -2 :              -0.00001492104402
                   -1 :              -0.00004959148508
                   +0 :              -0.00004222293192
                   +1 :               0.00001147547194
                   +2 :              -0.00003967419490
              8 vec=   -10.583355     -3.115717    -10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00009480944672
                2p
                   -1 :               0.00001873543805
                   +0 :               0.00000484266463
                   +1 :              -0.00002548473657
                3s
                   +0 :              -0.00026602528727
                4s
                   +0 :              -0.00002128014619
                3p
                   -1 :              -0.00014988337859
                   +0 :              -0.00010471796184
                   +1 :               0.00009941572922
                4p
                   -1 :               0.00004887373552
                   +0 :               0.00007296493948
                   +1 :               0.00001500349819
                3d
                   -2 :               0.00005810170252
                   -1 :               0.00001044902748
                   +0 :               0.00001041892677
                   +1 :               0.00000450664404
                   +2 :               0.00001305307910
              9 vec=     4.976970      5.868041     13.854224   |vec|=   15.847513
                2s
                   +0 :              -0.00007024584193
                2p
                   -1 :               0.00002270232860
                   +0 :              -0.00001056784754
                   +1 :              -0.00002926895951
                3s
                   +0 :               0.00022722203949
                4s
                   +0 :              -0.00011193237740
                3p
                   -1 :               0.00031221603818
                   +0 :               0.00011981812803
                   +1 :              -0.00000494833122
                4p
                   -1 :              -0.00000120556438
                   +0 :              -0.00005405714694
                   +1 :              -0.00004579619732
                3d
                   -2 :               0.00002243301910
                   -1 :               0.00001233981051
                   +0 :               0.00002047181898
                   +1 :               0.00001860463727
                   +2 :              -0.00007402075095
             10 vec=    -2.803193     -7.607596     13.854224   |vec|=   16.052194
                2s
                   +0 :               0.00001752738103
                2p
                   -1 :              -0.00002329313665
                   +0 :               0.00000555630410
                   +1 :              -0.00008029118395
                3s
                   +0 :               0.00019221333364
                4s
                   +0 :               0.00004736360120
                3p
                   -1 :               0.00008214906099
                   +0 :               0.00004133665316
                   +1 :               0.00019468089942
                4p
                   -1 :              -0.00008724167059
                   +0 :               0.00000527148934
                   +1 :              -0.00010060669253
                3d
                   -2 :               0.00011992123195
                   -1 :              -0.00002970244655
                   +0 :              -0.00000206784151
                   +1 :              -0.00002713744446
                   +2 :               0.00005942798715
             11 vec=   -10.583355      5.868041    -10.693319   |vec|=   16.148943
                2s
                   +0 :              -0.00022004407984
                2p
                   -1 :              -0.00003712377208
                   +0 :               0.00007887147215
                   +1 :               0.00007936422027
                3s
                   +0 :               0.00074144750997
                4s
                   +0 :              -0.00032765339522
                3p
                   -1 :               0.00017698731696
                   +0 :              -0.00035539035899
                   +1 :              -0.00035756641098
                4p
                   -1 :              -0.00006209048737
                   +0 :               0.00014093542136
                   +1 :               0.00008854319422
                3d
                   -2 :              -0.00002222271935
                   -1 :              -0.00002228967624
                   +0 :               0.00002140802532
                   +1 :               0.00005800841798
                   +2 :               0.00003399911581
             12 vec=    12.757133      1.376162    -10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00007079530349
                2p
                   -1 :               0.00000772146434
                   +0 :               0.00004330165099
                   +1 :              -0.00003161594403
                3s
                   +0 :               0.00034999334263
                4s
                   +0 :              -0.00010542438080
                3p
                   -1 :               0.00001098374759
                   +0 :              -0.00029922467766
                   +1 :               0.00028238703890
                4p
                   -1 :              -0.00001461987027
                   +0 :               0.00006619607636
                   +1 :              -0.00005380364487
                3d
                   -2 :              -0.00004153342155
                   -1 :              -0.00000317637890
                   +0 :               0.00004805995627
                   +1 :              -0.00008794515148
                   +2 :               0.00004705350049
             13 vec=     4.976970    -12.099475    -10.693319   |vec|=   16.897177
                2s
                   +0 :               0.00003125241397
                2p
                   -1 :               0.00000727213338
                   +0 :              -0.00000634620108
                   +1 :              -0.00000644317677
                3s
                   +0 :              -0.00011078053135
                4s
                   +0 :               0.00000101704348
                3p
                   -1 :              -0.00010066176555
                   +0 :               0.00002723979676
                   +1 :               0.00007929471078
                4p
                   -1 :               0.00003896931069
                   +0 :               0.00000761172990
                   +1 :              -0.00002632709012
                3d
                   -2 :              -0.00002510919774
                   -1 :               0.00000038427962
                   +0 :              -0.00001894951602
                   +1 :              -0.00002474474522
                   +2 :              -0.00002220973837
             14 vec=    -2.803193     10.359920     13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00005980284977
                2p
                   -1 :               0.00002675621740
                   +0 :               0.00003654896305
                   +1 :              -0.00001065495759
                3s
                   +0 :               0.00003090089843
                4s
                   +0 :               0.00010385893426
                3p
                   -1 :               0.00029065178407
                   +0 :              -0.00023321022954
                   +1 :               0.00020199024949
                4p
                   -1 :               0.00001402065449
                   +0 :               0.00008276540571
                   +1 :              -0.00005297405940
                3d
                   -2 :               0.00001043150930
                   -1 :               0.00000450973316
                   +0 :              -0.00009884483530
                   +1 :               0.00001436784720
                   +2 :              -0.00009424764525
             15 vec=   -10.583355     -3.115717     13.854224   |vec|=   17.710297
                2s
                   +0 :               0.00003991819075
                2p
                   -1 :              -0.00000117167200
                   +0 :               0.00000967366030
                   +1 :              -0.00004393099253
                3s
                   +0 :               0.00013099363016
                4s
                   +0 :               0.00002004917211
                3p
                   -1 :              -0.00004128933710
                   +0 :               0.00001013073314
                   +1 :               0.00001697169004
                4p
                   -1 :               0.00001184171319
                   +0 :               0.00000150133790
                   +1 :              -0.00003407790803
                3d
                   -2 :               0.00000692147552
                   -1 :               0.00000336536922
                   +0 :              -0.00001998754318
                   +1 :              -0.00000143184405
                   +2 :               0.00001162578855
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al(  8)  npairs=  13
              1 vec=    -2.803193      1.376162      6.601898   |vec|=    7.303202
                2s
                   +0 :              -0.00187982650709
                2p
                   -1 :              -0.00076924452965
                   +0 :              -0.00140320201955
                   +1 :               0.00100182686933
                3s
                   +0 :               0.00937756180271
                4s
                   +0 :              -0.00374358960356
                3p
                   -1 :               0.00176849326385
                   +0 :               0.00073228566024
                   +1 :              -0.00215907885898
                4p
                   -1 :              -0.00105387215872
                   +0 :              -0.00222189979895
                   +1 :               0.00072841513808
                3d
                   -2 :               0.00292503928117
                   -1 :              -0.00087281524851
                   +0 :              -0.00238746169867
                   +1 :               0.00185995306720
                   +2 :              -0.00123869065656
              2 vec=     4.976970     -3.115717      6.601898   |vec|=    8.835326
                2s
                   +0 :              -0.00138137754802
                2p
                   -1 :              -0.00007128433413
                   +0 :              -0.00019652028291
                   +1 :              -0.00022220910081
                3s
                   +0 :               0.01702249672746
                4s
                   +0 :              -0.00076452006638
                3p
                   -1 :              -0.00481820596804
                   +0 :               0.00931028407569
                   +1 :               0.00975102982609
                4p
                   -1 :              -0.00025865060291
                   +0 :               0.00011503380926
                   +1 :              -0.00004252432851
                3d
                   -2 :              -0.00222247930607
                   -1 :              -0.00190656677317
                   +0 :               0.00047570411217
                   +1 :               0.00392033266379
                   +2 :               0.00149024539173
              3 vec=     4.976970      5.868041      6.601898   |vec|=   10.138500
                2s
                   +0 :               0.00068110576208
                2p
                   -1 :               0.00020838690982
                   +0 :               0.00039056962458
                   +1 :              -0.00076157265565
                3s
                   +0 :               0.00018118321855
                4s
                   +0 :              -0.00067242993285
                3p
                   -1 :               0.00046218068609
                   +0 :              -0.00111960704439
                   +1 :               0.00425787155781
                4p
                   -1 :              -0.00047888747742
                   +0 :              -0.00014547684374
                   +1 :              -0.00120082609122
                3d
                   -2 :               0.00140749218742
                   -1 :              -0.00010780067216
                   +0 :               0.00031918946195
                   +1 :               0.00055031797235
                   +2 :               0.00009913595772
              4 vec=    -2.803193     -7.607596      6.601898   |vec|=   10.455547
                2s
                   +0 :              -0.00073587968717
                2p
                   -1 :               0.00023902080575
                   +0 :              -0.00020912847737
                   +1 :               0.00033862949526
                3s
                   +0 :               0.00251921672536
                4s
                   +0 :              -0.00059014835122
                3p
                   -1 :              -0.00102197390600
                   +0 :               0.00076015302340
                   +1 :              -0.00189218472241
                4p
                   -1 :               0.00001841537470
                   +0 :              -0.00021203086824
                   +1 :               0.00026954191994
                3d
                   -2 :               0.00031428404143
                   -1 :              -0.00008498289537
                   +0 :               0.00033615227698
                   +1 :               0.00013864787386
                   +2 :               0.00003941865881
              5 vec=    -2.803193     10.359920      6.601898   |vec|=   12.600432
                2s
                   +0 :              -0.00027859942183
                2p
                   -1 :              -0.00007023429582
                   +0 :              -0.00020721173280
                   +1 :              -0.00009920729146
                3s
                   +0 :               0.00069199478467
                4s
                   +0 :              -0.00016758050257
                3p
                   -1 :              -0.00002018656899
                   +0 :               0.00113147697332
                   +1 :               0.00082762161481
                4p
                   -1 :              -0.00002964782387
                   +0 :              -0.00019473724868
                   +1 :              -0.00016851444280
                3d
                   -2 :               0.00039237604286
                   -1 :               0.00009399225917
                   +0 :               0.00017696337411
                   +1 :               0.00031041076621
                   +2 :               0.00010970990500
              6 vec=   -10.583355     -3.115717      6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00036768839176
                2p
                   -1 :              -0.00008771086714
                   +0 :               0.00019853277633
                   +1 :              -0.00012815727649
                3s
                   +0 :              -0.00124902570013
                4s
                   +0 :               0.00043697223316
                3p
                   -1 :               0.00038845471246
                   +0 :              -0.00086439052012
                   +1 :               0.00077271156577
                4p
                   -1 :              -0.00009494235934
                   +0 :               0.00020317927246
                   +1 :              -0.00014403477558
                3d
                   -2 :              -0.00010750156453
                   -1 :               0.00004088368798
                   +0 :              -0.00006085925471
                   +1 :               0.00024068850571
                   +2 :              -0.00006684056775
              7 vec=   -10.583355      5.868041      6.601898   |vec|=   13.785005
                2s
                   +0 :               0.00011744645610
                2p
                   -1 :              -0.00003794666080
                   +0 :               0.00005039332589
                   +1 :              -0.00001543787448
                3s
                   +0 :              -0.00000332193751
                4s
                   +0 :               0.00011584611459
                3p
                   -1 :               0.00026534102044
                   +0 :              -0.00032149248295
                   +1 :              -0.00010837634318
                4p
                   -1 :              -0.00000754622072
                   +0 :               0.00004534482660
                   +1 :              -0.00000723769658
                3d
                   -2 :              -0.00009946082537
                   -1 :              -0.00001263395900
                   +0 :               0.00004946870084
                   +1 :               0.00006647827068
                   +2 :               0.00008042826718
              8 vec=    12.757133      1.376162      6.601898   |vec|=   14.429945
                2s
                   +0 :               0.00003222695140
                2p
                   -1 :              -0.00002952348055
                   +0 :               0.00002634443295
                   +1 :               0.00000153120208
                3s
                   +0 :              -0.00021924098707
                4s
                   +0 :               0.00021576025901
                3p
                   -1 :               0.00021592786873
                   +0 :              -0.00027627904796
                   +1 :              -0.00015028109495
                4p
                   -1 :              -0.00004050231930
                   +0 :               0.00013564468093
                   +1 :               0.00014710634125
                3d
                   -2 :               0.00006400840746
                   -1 :               0.00000011744580
                   +0 :              -0.00007287660506
                   +1 :              -0.00006809154573
                   +2 :               0.00008560916736
              9 vec=     4.976970    -12.099475      6.601898   |vec|=   14.654439
                2s
                   +0 :              -0.00006679282690
                2p
                   -1 :               0.00007209409661
                   +0 :              -0.00001124327506
                   +1 :               0.00000686333840
                3s
                   +0 :               0.00022475757512
                4s
                   +0 :              -0.00011428153539
                3p
                   -1 :              -0.00035008160381
                   +0 :               0.00013398896110
                   +1 :              -0.00010346715603
                4p
                   -1 :               0.00011134922560
                   +0 :              -0.00007126840135
                   +1 :               0.00002008797061
                3d
                   -2 :               0.00001540962081
                   -1 :              -0.00002893432723
                   +0 :              -0.00004204034850
                   +1 :              -0.00001187450467
                   +2 :              -0.00005159363035
             10 vec=    12.757133     -7.607596      6.601898   |vec|=   16.254384
                2s
                   +0 :              -0.00005026852040
                2p
                   -1 :              -0.00002038577568
                   +0 :              -0.00001611915782
                   +1 :               0.00000547621456
                3s
                   +0 :               0.00024154914949
                4s
                   +0 :              -0.00009714590575
                3p
                   -1 :               0.00006391497688
                   +0 :               0.00011790980347
                   +1 :               0.00000061939082
                4p
                   -1 :              -0.00001921565941
                   +0 :              -0.00003833822923
                   +1 :              -0.00001701929427
                3d
                   -2 :               0.00001970557546
                   -1 :               0.00002346603505
                   +0 :               0.00004452258082
                   +1 :               0.00003818992792
                   +2 :               0.00000452564847
             11 vec=     4.976970     14.851799      6.601898   |vec|=   16.997977
                2s
                   +0 :              -0.00002666389459
                2p
                   -1 :               0.00000417946204
                   +0 :               0.00000011506353
                   +1 :               0.00002303494333
                3s
                   +0 :               0.00010576916117
                4s
                   +0 :              -0.00004561705718
                3p
                   -1 :               0.00005591910982
                   +0 :               0.00011155737663
                   +1 :              -0.00021601063798
                4p
                   -1 :              -0.00000952750130
                   +0 :               0.00000104361710
                   +1 :               0.00004362555856
                3d
                   -2 :               0.00000634922155
                   -1 :               0.00002288816065
                   +0 :               0.00001876620832
                   +1 :              -0.00002590771538
                   +2 :              -0.00002157282936
             12 vec=   -10.583355    -12.099475      6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00001661685126
                2p
                   -1 :              -0.00000683059301
                   +0 :              -0.00001384047295
                   +1 :              -0.00000920783829
                3s
                   +0 :               0.00009526796397
                4s
                   +0 :              -0.00005289880518
                3p
                   -1 :              -0.00002150028337
                   +0 :               0.00006177860223
                   +1 :               0.00002065285326
                4p
                   -1 :               0.00001969685929
                   +0 :              -0.00001640960559
                   +1 :              -0.00000309497778
                3d
                   -2 :              -0.00000172190952
                   -1 :              -0.00004111804105
                   +0 :               0.00002351061856
                   +1 :              -0.00002560072079
                   +2 :               0.00001974573977
             13 vec=    12.757133     10.359920      6.601898   |vec|=   17.710376
                2s
                   +0 :              -0.00004004783229
                2p
                   -1 :               0.00000803030138
                   +0 :               0.00001600812741
                   +1 :              -0.00003864661389
                3s
                   +0 :               0.00021264674161
                4s
                   +0 :              -0.00007975015977
                3p
                   -1 :              -0.00002271120562
                   +0 :              -0.00006126404808
                   +1 :               0.00020752456036
                4p
                   -1 :              -0.00000183410098
                   +0 :               0.00000480512474
                   +1 :              -0.00005633411335
                3d
                   -2 :               0.00003101883082
                   -1 :              -0.00002711431474
                   +0 :               0.00001791721116
                   +1 :              -0.00002581357022
                   +2 :               0.00002733287835
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al(  9)  npairs=  14
              1 vec=     2.383582      1.376162      2.510804   |vec|=    3.725510
                2s
                   +0 :               0.02023248405455
                2p
                   -1 :               0.01523513673251
                   +0 :               0.01896901010968
                   +1 :               0.02090645600022
                3s
                   +0 :               0.08004822279349
                4s
                   +0 :               0.00518501211225
                3p
                   -1 :               0.02089071763479
                   +0 :               0.02884174160130
                   +1 :               0.04960525013814
                4p
                   -1 :               0.00866915161369
                   +0 :               0.01023757031812
                   +1 :               0.00941504778406
                3d
                   -2 :               0.03349133277094
                   -1 :               0.01995805436179
                   +0 :              -0.00894706311963
                   +1 :               0.03295641317638
                   +2 :               0.01774609929907
              2 vec=    -5.396580     -3.115717      2.510804   |vec|=    6.718252
                2s
                   +0 :              -0.00248141476527
                2p
                   -1 :               0.00154557562825
                   +0 :              -0.00036174616658
                   +1 :               0.00121468145469
                3s
                   +0 :               0.01002976885260
                4s
                   +0 :              -0.00597355466445
                3p
                   -1 :              -0.00695191818273
                   +0 :              -0.00080708543283
                   +1 :              -0.00455942304812
                4p
                   -1 :               0.00261635058794
                   +0 :              -0.00122659702218
                   +1 :               0.00254052389461
                3d
                   -2 :               0.00072502234566
                   -1 :               0.00023283301962
                   +0 :               0.00272131335335
                   +1 :              -0.00043872653073
                   +2 :               0.00028148670147
              3 vec=    -5.396580      5.868041      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00071591847251
                2p
                   -1 :               0.00041640178745
                   +0 :               0.00035776383322
                   +1 :              -0.00034988305505
                3s
                   +0 :              -0.00665241068220
                4s
                   +0 :               0.00280357897513
                3p
                   -1 :              -0.00382041211217
                   +0 :              -0.00433529867274
                   +1 :               0.00429407730481
                4p
                   -1 :               0.00165596163770
                   +0 :               0.00122935944273
                   +1 :              -0.00104964865286
                3d
                   -2 :               0.00076924104333
                   -1 :              -0.00101618168860
                   +0 :              -0.00046487584838
                   +1 :               0.00072055964345
                   +2 :              -0.00017909991112
              4 vec=     2.383582     -7.607596      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00124040327237
                2p
                   -1 :              -0.00045811941145
                   +0 :               0.00028733080544
                   +1 :              -0.00010810893523
                3s
                   +0 :              -0.00459810262372
                4s
                   +0 :               0.00199385045316
                3p
                   -1 :               0.00328349208469
                   +0 :              -0.00192249555415
                   +1 :              -0.00035136829382
                4p
                   -1 :              -0.00064052255698
                   +0 :               0.00076776494422
                   +1 :              -0.00003130979774
                3d
                   -2 :              -0.00026712325804
                   -1 :               0.00016291491652
                   +0 :              -0.00007674079890
                   +1 :               0.00036954050480
                   +2 :               0.00056844065750
              5 vec=     2.383582     10.359920      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00015396810171
                2p
                   -1 :               0.00002145305992
                   +0 :               0.00002980391958
                   +1 :              -0.00008181694521
                3s
                   +0 :               0.00095990704502
                4s
                   +0 :              -0.00027786986793
                3p
                   -1 :               0.00100270355259
                   +0 :              -0.00005224611092
                   +1 :              -0.00029706873636
                4p
                   -1 :              -0.00039675713700
                   +0 :              -0.00011771261813
                   +1 :               0.00006271566648
                3d
                   -2 :              -0.00023959027099
                   -1 :               0.00005995492587
                   +0 :              -0.00003947489075
                   +1 :               0.00016377255758
                   +2 :              -0.00009176714780
              6 vec=    10.163745     -3.115717      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00022725800338
                2p
                   -1 :              -0.00017180396392
                   +0 :              -0.00037570413243
                   +1 :               0.00023978569206
                3s
                   +0 :               0.00105353117028
                4s
                   +0 :              -0.00015736936642
                3p
                   -1 :              -0.00005436237241
                   +0 :               0.00161986981092
                   +1 :              -0.00001422478489
                4p
                   -1 :              -0.00014478557090
                   +0 :              -0.00047878704979
                   +1 :               0.00009633754850
                3d
                   -2 :              -0.00030633441650
                   -1 :               0.00007564101233
                   +0 :              -0.00000705240173
                   +1 :               0.00023258791565
                   +2 :              -0.00016380254302
              7 vec=    10.163745      5.868041      2.510804   |vec|=   12.001657
                2s
                   +0 :              -0.00016335477551
                2p
                   -1 :               0.00021058390497
                   +0 :              -0.00006039898991
                   +1 :              -0.00007843566160
                3s
                   +0 :               0.00021787007387
                4s
                   +0 :               0.00052127727618
                3p
                   -1 :              -0.00124596676142
                   +0 :               0.00041491135490
                   +1 :               0.00000615804328
                4p
                   -1 :               0.00047768142778
                   +0 :              -0.00018798627868
                   +1 :               0.00040056123485
                3d
                   -2 :              -0.00013094056137
                   -1 :              -0.00006460840460
                   +0 :               0.00006558466341
                   +1 :               0.00014347723566
                   +2 :               0.00038543494712
              8 vec=   -13.176743      1.376162      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00013979570317
                2p
                   -1 :               0.00004357154664
                   +0 :               0.00007875200608
                   +1 :              -0.00002562599083
                3s
                   +0 :              -0.00050874877494
                4s
                   +0 :               0.00009641296460
                3p
                   -1 :              -0.00032974996285
                   +0 :              -0.00046394001945
                   +1 :               0.00011213199260
                4p
                   -1 :               0.00007879558416
                   +0 :               0.00005356402474
                   +1 :               0.00000834004087
                3d
                   -2 :               0.00014965957416
                   -1 :              -0.00010030776412
                   +0 :              -0.00006396835067
                   +1 :               0.00008098863450
                   +2 :               0.00012113785279
              9 vec=    -5.396580    -12.099475      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00014965220945
                2p
                   -1 :              -0.00001000588080
                   +0 :              -0.00006378262132
                   +1 :              -0.00004210699510
                3s
                   +0 :              -0.00040963559557
                4s
                   +0 :               0.00005399387155
                3p
                   -1 :              -0.00004705072011
                   +0 :               0.00019340612204
                   +1 :               0.00017479155885
                4p
                   -1 :               0.00006471246286
                   +0 :              -0.00002825880923
                   +1 :              -0.00000578369345
                3d
                   -2 :               0.00001340503000
                   -1 :               0.00001417884174
                   +0 :               0.00002345424741
                   +1 :              -0.00005448599962
                   +2 :              -0.00001027350737
             10 vec=   -13.176743     -7.607596      2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00001308026226
                2p
                   -1 :               0.00001285791314
                   +0 :               0.00002127314989
                   +1 :               0.00003953696364
                3s
                   +0 :               0.00002547912232
                4s
                   +0 :              -0.00002518678008
                3p
                   -1 :              -0.00002521353071
                   +0 :              -0.00013473590306
                   +1 :              -0.00021006884114
                4p
                   -1 :               0.00001834571537
                   +0 :               0.00002432806394
                   +1 :               0.00006268680995
                3d
                   -2 :               0.00003285892499
                   -1 :               0.00000069197628
                   +0 :              -0.00000574164746
                   +1 :               0.00004877234068
                   +2 :               0.00005016817013
             11 vec=    -5.396580     14.851799      2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00000429607915
                2p
                   -1 :               0.00001072139499
                   +0 :              -0.00001444242632
                   +1 :               0.00002499148049
                3s
                   +0 :               0.00035194925738
                4s
                   +0 :              -0.00002346983923
                3p
                   -1 :               0.00014773780561
                   +0 :              -0.00011813101308
                   +1 :              -0.00007151687101
                4p
                   -1 :              -0.00000671459629
                   +0 :               0.00000134705995
                   +1 :               0.00004351421500
                3d
                   -2 :               0.00003012719062
                   -1 :              -0.00005503907200
                   +0 :               0.00004048721997
                   +1 :               0.00002070457277
                   +2 :              -0.00002123186589
             12 vec=    10.163745    -12.099475      2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00000526576325
                2p
                   -1 :              -0.00002165853733
                   +0 :               0.00002707696174
                   +1 :              -0.00004023543198
                3s
                   +0 :               0.00014773015770
                4s
                   +0 :              -0.00008708553706
                3p
                   -1 :               0.00009318645577
                   +0 :              -0.00015611107450
                   +1 :               0.00032206517451
                4p
                   -1 :               0.00000081406428
                   +0 :               0.00003481162645
                   +1 :              -0.00009590207439
                3d
                   -2 :              -0.00002080362471
                   -1 :               0.00001950347624
                   +0 :              -0.00000724037856
                   +1 :              -0.00000070253443
                   +2 :               0.00003025825306
             13 vec=   -13.176743     10.359920      2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00002316256595
                2p
                   -1 :              -0.00001649881456
                   +0 :               0.00000039487258
                   +1 :              -0.00001395510776
                3s
                   +0 :               0.00008777489134
                4s
                   +0 :               0.00001252326570
                3p
                   -1 :               0.00009646983244
                   +0 :              -0.00001282403456
                   +1 :               0.00009240847159
                4p
                   -1 :              -0.00002142281136
                   +0 :              -0.00000553559938
                   +1 :              -0.00003992725076
                3d
                   -2 :              -0.00001636944205
                   -1 :               0.00000914019444
                   +0 :              -0.00001002130162
                   +1 :              -0.00000206628709
                   +2 :              -0.00002666560550
             14 vec=     2.383582    -16.591354      2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00001066551464
                2p
                   -1 :              -0.00000763585814
                   +0 :              -0.00000496636979
                   +1 :               0.00001609797674
                3s
                   +0 :              -0.00004788112019
                4s
                   +0 :               0.00004244506190
                3p
                   -1 :               0.00006347563831
                   +0 :               0.00000474667844
                   +1 :              -0.00007500807704
                4p
                   -1 :              -0.00003471651433
                   +0 :               0.00000059581642
                   +1 :               0.00001066919414
                3d
                   -2 :               0.00001576993532
                   -1 :              -0.00000074421319
                   +0 :               0.00001434012579
                   +1 :              -0.00000164895674
                   +2 :               0.00000060551885
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al( 10)  npairs=  13
              1 vec=     2.383582      1.376162      9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00034298862021
                2p
                   -1 :               0.00005662708805
                   +0 :              -0.00014542048307
                   +1 :               0.00022007803343
                3s
                   +0 :               0.00073195805569
                4s
                   +0 :              -0.00017072011481
                3p
                   -1 :              -0.00023480780515
                   +0 :               0.00126181467598
                   +1 :              -0.00101344822867
                4p
                   -1 :              -0.00009907380171
                   +0 :              -0.00041945297723
                   +1 :               0.00002238669966
                3d
                   -2 :               0.00018894460055
                   -1 :               0.00026487297970
                   +0 :              -0.00001393487089
                   +1 :               0.00018224324097
                   +2 :              -0.00008335557089
              2 vec=    -5.396580     -3.115717      9.763130   |vec|=   11.582292
                2s
                   +0 :              -0.00005658939499
                2p
                   -1 :               0.00035494926728
                   +0 :              -0.00013073990364
                   +1 :              -0.00020965602968
                3s
                   +0 :               0.00113670055085
                4s
                   +0 :              -0.00058661712109
                3p
                   -1 :              -0.00173516868360
                   +0 :               0.00166546630861
                   +1 :               0.00051503676523
                4p
                   -1 :               0.00034004571719
                   +0 :              -0.00071143956804
                   +1 :               0.00005444413516
                3d
                   -2 :               0.00017082232751
                   -1 :              -0.00035003361622
                   +0 :               0.00041311803877
                   +1 :               0.00006497381359
                   +2 :              -0.00019628467271
              3 vec=    -5.396580      5.868041      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00032473178881
                2p
                   -1 :               0.00014980807098
                   +0 :               0.00013458611986
                   +1 :              -0.00027920748185
                3s
                   +0 :               0.00139977116754
                4s
                   +0 :               0.00011326033834
                3p
                   -1 :               0.00041385571197
                   +0 :               0.00007694111005
                   +1 :              -0.00080242175158
                4p
                   -1 :               0.00009338309737
                   +0 :              -0.00006184024325
                   +1 :              -0.00013543259978
                3d
                   -2 :              -0.00024524961566
                   -1 :              -0.00003631584845
                   +0 :              -0.00032863774819
                   +1 :              -0.00001514251336
                   +2 :               0.00017267436017
              4 vec=     2.383582     -7.607596      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00008891223754
                2p
                   -1 :              -0.00015666358684
                   +0 :              -0.00005008522284
                   +1 :              -0.00023624083336
                3s
                   +0 :               0.00141438856655
                4s
                   +0 :              -0.00023056626278
                3p
                   -1 :              -0.00099497997017
                   +0 :               0.00102294849625
                   +1 :               0.00178792863680
                4p
                   -1 :               0.00008473174429
                   +0 :              -0.00030551090456
                   +1 :              -0.00047581621144
                3d
                   -2 :              -0.00047690395047
                   -1 :              -0.00030435706138
                   +0 :              -0.00017411969290
                   +1 :               0.00033067426143
                   +2 :              -0.00020587415792
              5 vec=     2.383582     10.359920      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00005434506065
                2p
                   -1 :               0.00003438801472
                   +0 :              -0.00003172516257
                   +1 :               0.00009041559914
                3s
                   +0 :              -0.00026985245512
                4s
                   +0 :               0.00003291650866
                3p
                   -1 :              -0.00029088706443
                   +0 :               0.00047267953978
                   +1 :              -0.00073488452415
                4p
                   -1 :               0.00013882700072
                   +0 :               0.00003405547540
                   +1 :               0.00007121070566
                3d
                   -2 :              -0.00012858719527
                   -1 :               0.00011928916846
                   +0 :               0.00014787078144
                   +1 :               0.00019854018611
                   +2 :              -0.00003885614453
              6 vec=    10.163745     -3.115717      9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00000243420846
                2p
                   -1 :              -0.00001898446008
                   +0 :               0.00004056392088
                   +1 :              -0.00003115157430
                3s
                   +0 :               0.00031164662988
                4s
                   +0 :              -0.00002665108498
                3p
                   -1 :               0.00008576105687
                   +0 :              -0.00015304549664
                   +1 :               0.00021477215380
                4p
                   -1 :              -0.00001292088659
                   +0 :               0.00005440741719
                   +1 :              -0.00007491182592
                3d
                   -2 :               0.00002876559129
                   -1 :               0.00001950021414
                   +0 :              -0.00003140870386
                   +1 :              -0.00000884669557
                   +2 :              -0.00002654420522
              7 vec=     2.383582      1.376162    -14.784412   |vec|=   15.038422
                2s
                   +0 :              -0.00002564622489
                2p
                   -1 :              -0.00011914296226
                   +0 :               0.00001722852384
                   +1 :               0.00002348822074
                3s
                   +0 :              -0.00022015832104
                4s
                   +0 :               0.00006746067478
                3p
                   -1 :               0.00065305176481
                   +0 :               0.00014388333316
                   +1 :              -0.00005995378326
                4p
                   -1 :              -0.00015434556557
                   +0 :              -0.00006592959905
                   +1 :               0.00005351997701
                3d
                   -2 :              -0.00002871808434
                   -1 :              -0.00008620505138
                   +0 :              -0.00005010364160
                   +1 :              -0.00004527181323
                   +2 :               0.00002235856093
              8 vec=    10.163745      5.868041      9.763130   |vec|=   15.266117
                2s
                   +0 :               0.00014931370438
                2p
                   -1 :               0.00002403069717
                   +0 :               0.00012137631612
                   +1 :               0.00011650140485
                3s
                   +0 :              -0.00041048157269
                4s
                   +0 :               0.00016712045452
                3p
                   -1 :              -0.00012938287718
                   +0 :              -0.00041695568967
                   +1 :              -0.00054314614839
                4p
                   -1 :               0.00007807509289
                   +0 :               0.00012496071738
                   +1 :               0.00011875243845
                3d
                   -2 :              -0.00006707129058
                   -1 :              -0.00006258423908
                   +0 :              -0.00000026960095
                   +1 :              -0.00014796039217
                   +2 :              -0.00010521005097
              9 vec=    -5.396580     -3.115717    -14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00003532915940
                2p
                   -1 :              -0.00001816216575
                   +0 :              -0.00000676203360
                   +1 :               0.00000991217900
                3s
                   +0 :              -0.00015626088059
                4s
                   +0 :              -0.00000528719381
                3p
                   -1 :              -0.00005360413071
                   +0 :              -0.00006086272462
                   +1 :              -0.00015225880539
                4p
                   -1 :               0.00002635765052
                   +0 :               0.00004899296760
                   +1 :               0.00003489034477
                3d
                   -2 :               0.00000358324732
                   -1 :               0.00000949393596
                   +0 :              -0.00001570629791
                   +1 :               0.00004349359401
                   +2 :              -0.00002123962191
             10 vec=   -13.176743      1.376162      9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00000524900523
                2p
                   -1 :               0.00004052548062
                   +0 :               0.00001977822761
                   +1 :               0.00001073966445
                3s
                   +0 :               0.00007623776894
                4s
                   +0 :               0.00000433110974
                3p
                   -1 :              -0.00022173470301
                   +0 :              -0.00006294806172
                   +1 :              -0.00001186235228
                4p
                   -1 :               0.00006267793503
                   +0 :               0.00002662856456
                   +1 :               0.00001573983663
                3d
                   -2 :               0.00002681503020
                   -1 :              -0.00001240157405
                   +0 :               0.00002052176125
                   +1 :               0.00002119362823
                   +2 :               0.00000073290154
             11 vec=    -5.396580    -12.099475      9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00004586262174
                2p
                   -1 :               0.00002311314280
                   +0 :               0.00000914203615
                   +1 :              -0.00000928642722
                3s
                   +0 :               0.00014042019997
                4s
                   +0 :              -0.00003129435142
                3p
                   -1 :              -0.00007202943988
                   +0 :              -0.00007620568567
                   +1 :               0.00004574850029
                4p
                   -1 :               0.00001902746649
                   +0 :               0.00003298773605
                   +1 :              -0.00001418391739
                3d
                   -2 :              -0.00002472391229
                   -1 :               0.00001621734212
                   +0 :               0.00000088794617
                   +1 :               0.00001833939126
                   +2 :              -0.00000126901854
             12 vec=    -5.396580      5.868041    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00010486338287
                2p
                   -1 :              -0.00001791583006
                   +0 :              -0.00002202597586
                   +1 :              -0.00002956810355
                3s
                   +0 :              -0.00056180436691
                4s
                   +0 :               0.00014506930156
                3p
                   -1 :              -0.00017726026997
                   +0 :               0.00015196365376
                   +1 :               0.00011993366603
                4p
                   -1 :               0.00001237389130
                   +0 :              -0.00002926616851
                   +1 :              -0.00004271095018
                3d
                   -2 :               0.00002476581621
                   -1 :               0.00003774163600
                   +0 :               0.00005734688071
                   +1 :              -0.00000289165767
                   +2 :               0.00011485085565
             13 vec=     2.383582     -7.607596    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00003067376972
                2p
                   -1 :               0.00000248989871
                   +0 :               0.00000503759000
                   +1 :              -0.00000807945382
                3s
                   +0 :              -0.00036504831407
                4s
                   +0 :               0.00006947261130
                3p
                   -1 :               0.00005779211214
                   +0 :               0.00004689293778
                   +1 :              -0.00006899911834
                4p
                   -1 :               0.00001303630862
                   +0 :              -0.00001995062572
                   +1 :               0.00000989455627
                3d
                   -2 :               0.00000059347916
                   -1 :               0.00002999931981
                   +0 :               0.00006382390490
                   +1 :               0.00002863693356
                   +2 :              -0.00008870524258
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al( 11)  npairs=  14
              1 vec=     2.383582      1.376162     -2.510641   |vec|=    3.725400
                2s
                   +0 :              -0.02047357955697
                2p
                   -1 :              -0.01066863486665
                   +0 :               0.01886638982745
                   +1 :              -0.02376562013282
                3s
                   +0 :              -0.08066125264686
                4s
                   +0 :              -0.00640252597938
                3p
                   -1 :              -0.03305702029222
                   +0 :               0.02929176991726
                   +1 :              -0.04338045480648
                4p
                   -1 :              -0.00405181146444
                   +0 :               0.00986451209604
                   +1 :              -0.01313950816846
                3d
                   -2 :              -0.03251618667753
                   -1 :               0.01865958049406
                   +0 :               0.00938533784499
                   +1 :               0.03361583080204
                   +2 :              -0.02081241060975
              2 vec=    -5.396580     -3.115717     -2.510641   |vec|=    6.718191
                2s
                   +0 :               0.00198314842382
                2p
                   -1 :              -0.00037273487299
                   +0 :              -0.00043368135765
                   +1 :              -0.00172403927595
                3s
                   +0 :              -0.00826281838925
                4s
                   +0 :               0.00514414166445
                3p
                   -1 :               0.00082815113833
                   +0 :              -0.00059279363524
                   +1 :               0.00694151332365
                4p
                   -1 :              -0.00069051283376
                   +0 :              -0.00138217852259
                   +1 :              -0.00314582576466
                3d
                   -2 :              -0.00088082334675
                   -1 :              -0.00029862780622
                   +0 :              -0.00280736818472
                   +1 :              -0.00017082649257
                   +2 :              -0.00018859993189
              3 vec=    -5.396580      5.868041     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00116452695431
                2p
                   -1 :              -0.00001259432175
                   +0 :               0.00018274616986
                   +1 :               0.00040978610850
                3s
                   +0 :               0.00465352757102
                4s
                   +0 :              -0.00219666874637
                3p
                   -1 :               0.00162944905087
                   +0 :              -0.00129856525604
                   +1 :              -0.00224300628607
                4p
                   -1 :              -0.00046411839290
                   +0 :               0.00048482311183
                   +1 :               0.00048157590380
                3d
                   -2 :              -0.00012510116516
                   -1 :               0.00029065112345
                   +0 :               0.00013245203614
                   +1 :               0.00047864152011
                   +2 :               0.00077399846336
              4 vec=     2.383582     -7.607596     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00073290482761
                2p
                   -1 :               0.00041106007790
                   +0 :               0.00041826633289
                   +1 :              -0.00010801251774
                3s
                   +0 :               0.00641383030011
                4s
                   +0 :              -0.00292047798239
                3p
                   -1 :              -0.00490042632618
                   +0 :              -0.00478653103630
                   +1 :               0.00098591115674
                4p
                   -1 :               0.00164110321767
                   +0 :               0.00130996107787
                   +1 :              -0.00084405554979
                3d
                   -2 :              -0.00037214568611
                   -1 :               0.00137246658048
                   +0 :               0.00038480496597
                   +1 :              -0.00039751131714
                   +2 :              -0.00074280005269
              5 vec=     2.383582     10.359920     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00037516078037
                2p
                   -1 :              -0.00032193135720
                   +0 :              -0.00036450212122
                   +1 :              -0.00003773781076
                3s
                   +0 :              -0.00044190035100
                4s
                   +0 :               0.00014208421513
                3p
                   -1 :               0.00015273573316
                   +0 :               0.00157846747553
                   +1 :               0.00040956379648
                4p
                   -1 :              -0.00013313337006
                   +0 :              -0.00046195516816
                   +1 :               0.00002909948654
                3d
                   -2 :               0.00033843871091
                   -1 :               0.00017098016853
                   +0 :              -0.00003361208900
                   +1 :               0.00025610228484
                   +2 :               0.00015525023827
              6 vec=    10.163745     -3.115717     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00002887488199
                2p
                   -1 :               0.00001629136164
                   +0 :               0.00005684112624
                   +1 :               0.00010617964877
                3s
                   +0 :              -0.00081225785835
                4s
                   +0 :               0.00045901499373
                3p
                   -1 :               0.00072434483424
                   +0 :              -0.00004055475049
                   +1 :              -0.00117821656363
                4p
                   -1 :              -0.00025197400576
                   +0 :              -0.00006215482368
                   +1 :               0.00039762686828
                3d
                   -2 :               0.00025267357110
                   -1 :               0.00009380570460
                   +0 :               0.00011336831773
                   +1 :               0.00007602571892
                   +2 :               0.00007967784749
              7 vec=    10.163745      5.868041     -2.510641   |vec|=   12.001622
                2s
                   +0 :               0.00023189069848
                2p
                   -1 :               0.00016156413271
                   +0 :              -0.00011577420549
                   +1 :              -0.00011759937791
                3s
                   +0 :              -0.00047060038860
                4s
                   +0 :              -0.00025769841352
                3p
                   -1 :              -0.00067868891922
                   +0 :               0.00062674193263
                   +1 :               0.00091429710519
                4p
                   -1 :              -0.00002558241071
                   +0 :              -0.00018770441680
                   +1 :              -0.00050265773343
                3d
                   -2 :              -0.00026860813842
                   -1 :               0.00017176433885
                   +0 :              -0.00003171516049
                   +1 :               0.00009130070038
                   +2 :               0.00038826051946
              8 vec=   -13.176743      1.376162     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00016053262402
                2p
                   -1 :               0.00000113434971
                   +0 :              -0.00008402398428
                   +1 :               0.00005280606001
                3s
                   +0 :               0.00035484792623
                4s
                   +0 :               0.00002672055806
                3p
                   -1 :              -0.00000868460700
                   +0 :               0.00032398819081
                   +1 :              -0.00006238210662
                4p
                   -1 :               0.00002148772079
                   +0 :              -0.00005835240769
                   +1 :              -0.00008273222990
                3d
                   -2 :              -0.00002508684341
                   -1 :              -0.00004870147645
                   +0 :               0.00000336905784
                   +1 :              -0.00006374123184
                   +2 :              -0.00000287207261
              9 vec=    -5.396580    -12.099475     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00011347784577
                2p
                   -1 :              -0.00002274412927
                   +0 :               0.00006925128965
                   +1 :              -0.00001212708184
                3s
                   +0 :               0.00047116607936
                4s
                   +0 :              -0.00011612137055
                3p
                   -1 :               0.00002890470181
                   +0 :              -0.00036041956846
                   +1 :               0.00011627409524
                4p
                   -1 :               0.00001154908499
                   +0 :               0.00002535005880
                   +1 :              -0.00004830194319
                3d
                   -2 :              -0.00025148541388
                   -1 :               0.00017316906316
                   +0 :               0.00005773126106
                   +1 :              -0.00006556967368
                   +2 :               0.00002093030206
             10 vec=   -13.176743     -7.607596     -2.510641   |vec|=   15.420940
                2s
                   +0 :               0.00001122677326
                2p
                   -1 :              -0.00000881658290
                   +0 :               0.00002632552473
                   +1 :              -0.00004597454178
                3s
                   +0 :              -0.00002599131313
                4s
                   +0 :               0.00001740267122
                3p
                   -1 :               0.00004069721255
                   +0 :              -0.00014560443981
                   +1 :               0.00020575952769
                4p
                   -1 :              -0.00000200233043
                   +0 :               0.00002262916118
                   +1 :              -0.00006519639852
                3d
                   -2 :              -0.00005294330349
                   -1 :               0.00002430269692
                   +0 :               0.00001028276142
                   +1 :               0.00004444743729
                   +2 :              -0.00002960195008
             11 vec=    -5.396580     14.851799     -2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00004400257361
                2p
                   -1 :               0.00004556392046
                   +0 :               0.00003876500835
                   +1 :               0.00005184011218
                3s
                   +0 :              -0.00029566769017
                4s
                   +0 :               0.00010023268221
                3p
                   -1 :              -0.00035112434931
                   +0 :              -0.00025184312869
                   +1 :              -0.00033980018833
                4p
                   -1 :               0.00008950050380
                   +0 :               0.00002593732414
                   +1 :               0.00007291461762
                3d
                   -2 :              -0.00003137356321
                   -1 :              -0.00005884457588
                   +0 :              -0.00000118614023
                   +1 :              -0.00001394290060
                   +2 :               0.00006254014525
             12 vec=    10.163745    -12.099475     -2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00004203698306
                2p
                   -1 :               0.00000158798282
                   +0 :              -0.00001828346081
                   +1 :              -0.00003807010541
                3s
                   +0 :              -0.00008827734704
                4s
                   +0 :              -0.00000067382473
                3p
                   -1 :               0.00008470971398
                   +0 :              -0.00005884789511
                   +1 :               0.00002802473701
                4p
                   -1 :              -0.00003324098304
                   +0 :               0.00000091587391
                   +1 :              -0.00002049417341
                3d
                   -2 :               0.00000443507940
                   -1 :               0.00002899631979
                   +0 :              -0.00002615493262
                   +1 :              -0.00002201002525
                   +2 :              -0.00002975686878
             13 vec=   -13.176743     10.359920     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00000205454967
                2p
                   -1 :              -0.00001177086105
                   +0 :              -0.00000955043021
                   +1 :              -0.00000148146209
                3s
                   +0 :              -0.00000799519766
                4s
                   +0 :              -0.00000791572064
                3p
                   -1 :               0.00005386568327
                   +0 :              -0.00000197200578
                   +1 :              -0.00000924100605
                4p
                   -1 :              -0.00000598825644
                   +0 :               0.00001116609593
                   +1 :               0.00001335507382
                3d
                   -2 :              -0.00001703150834
                   -1 :               0.00000122359701
                   +0 :              -0.00000753496541
                   +1 :              -0.00000589701776
                   +2 :              -0.00001914640619
             14 vec=     2.383582    -16.591354     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00002618033020
                2p
                   -1 :               0.00000300193999
                   +0 :              -0.00001143923198
                   +1 :               0.00001799303826
                3s
                   +0 :              -0.00009455466358
                4s
                   +0 :               0.00001812076079
                3p
                   -1 :              -0.00001418437726
                   +0 :               0.00003843524413
                   +1 :              -0.00010154031077
                4p
                   -1 :               0.00000350887200
                   +0 :              -0.00001445944190
                   +1 :               0.00003406721704
                3d
                   -2 :               0.00003236999500
                   -1 :              -0.00002848748848
                   +0 :               0.00000459105099
                   +1 :               0.00000987310210
                   +2 :               0.00000324108990
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site Al( 12)  npairs=  13
              1 vec=     2.383582      1.376162     -9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00048336040570
                2p
                   -1 :              -0.00007483980771
                   +0 :              -0.00022458616142
                   +1 :              -0.00033417864931
                3s
                   +0 :               0.00006405149758
                4s
                   +0 :               0.00002463894093
                3p
                   -1 :               0.00014811366569
                   +0 :               0.00186933292557
                   +1 :               0.00142490683577
                4p
                   -1 :               0.00008787614465
                   +0 :              -0.00061404524868
                   +1 :              -0.00018997427933
                3d
                   -2 :               0.00010975744499
                   -1 :               0.00021563113307
                   +0 :              -0.00014302431424
                   +1 :               0.00059387879738
                   +2 :              -0.00019731865775
              2 vec=    -5.396580     -3.115717     -9.762967   |vec|=   11.582154
                2s
                   +0 :               0.00075270867866
                2p
                   -1 :              -0.00013139167812
                   +0 :              -0.00017708643807
                   +1 :              -0.00000999444480
                3s
                   +0 :              -0.00271123211117
                4s
                   +0 :               0.00113936506121
                3p
                   -1 :               0.00075115385828
                   +0 :               0.00144919247011
                   +1 :               0.00006751607730
                4p
                   -1 :              -0.00027169487942
                   +0 :              -0.00050185057031
                   +1 :               0.00000913780384
                3d
                   -2 :               0.00022909811092
                   -1 :              -0.00008568813629
                   +0 :              -0.00030730101936
                   +1 :              -0.00003937332790
                   +2 :               0.00008039529820
              3 vec=    -5.396580      5.868041     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00003786215399
                2p
                   -1 :              -0.00023592955993
                   +0 :               0.00005297202055
                   +1 :               0.00003558324037
                3s
                   +0 :              -0.00160537172054
                4s
                   +0 :              -0.00008658198923
                3p
                   -1 :               0.00005975768358
                   +0 :               0.00026455122192
                   +1 :               0.00115503193227
                4p
                   -1 :              -0.00037648952175
                   +0 :               0.00006335164055
                   +1 :               0.00000890353287
                3d
                   -2 :               0.00032256537577
                   -1 :               0.00016095765939
                   +0 :               0.00024306938637
                   +1 :              -0.00006262295896
                   +2 :              -0.00013714629527
              4 vec=     2.383582     -7.607596     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00035586996587
                2p
                   -1 :               0.00038147128080
                   +0 :               0.00013684592277
                   +1 :              -0.00002965429570
                3s
                   +0 :              -0.00175472081440
                4s
                   +0 :              -0.00016054516461
                3p
                   -1 :               0.00127499154026
                   +0 :               0.00032748098037
                   +1 :               0.00058770901303
                4p
                   -1 :               0.00024238327575
                   +0 :              -0.00006962510033
                   +1 :              -0.00012139082423
                3d
                   -2 :              -0.00018472815181
                   -1 :              -0.00017621342939
                   +0 :               0.00036843039162
                   +1 :              -0.00006572054767
                   +2 :               0.00065793439459
              5 vec=     2.383582     10.359920     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00013871344467
                2p
                   -1 :               0.00014469770135
                   +0 :              -0.00001690452513
                   +1 :              -0.00000507077551
                3s
                   +0 :              -0.00055252789888
                4s
                   +0 :               0.00020479998400
                3p
                   -1 :              -0.00070811483194
                   +0 :               0.00005317942337
                   +1 :              -0.00000718044674
                4p
                   -1 :               0.00022350684575
                   +0 :               0.00000253789556
                   +1 :               0.00002996665936
                3d
                   -2 :               0.00005753177380
                   -1 :               0.00008805896995
                   +0 :               0.00004875860770
                   +1 :              -0.00005011461971
                   +2 :               0.00000072152764
              6 vec=    10.163745     -3.115717     -9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00001926001642
                2p
                   -1 :              -0.00014550143338
                   +0 :              -0.00001643167362
                   +1 :              -0.00012455481039
                3s
                   +0 :               0.00013971222774
                4s
                   +0 :              -0.00007583173120
                3p
                   -1 :               0.00064109864287
                   +0 :               0.00005554199825
                   +1 :               0.00064193584618
                4p
                   -1 :              -0.00009042320869
                   +0 :              -0.00001453393587
                   +1 :              -0.00015698733868
                3d
                   -2 :               0.00007595480934
                   -1 :              -0.00011882687181
                   +0 :               0.00001133075819
                   +1 :              -0.00006056315316
                   +2 :               0.00016418717282
              7 vec=     2.383582      1.376162     14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00006050501590
                2p
                   -1 :              -0.00008288391363
                   +0 :              -0.00000672017295
                   +1 :               0.00005863155501
                3s
                   +0 :               0.00055989168127
                4s
                   +0 :              -0.00013076580359
                3p
                   -1 :               0.00036653610637
                   +0 :               0.00022517886594
                   +1 :              -0.00045035259326
                4p
                   -1 :              -0.00011450861100
                   +0 :              -0.00006909104887
                   +1 :               0.00008105200293
                3d
                   -2 :               0.00001960449553
                   -1 :               0.00004047372071
                   +0 :              -0.00000965464435
                   +1 :              -0.00005623723314
                   +2 :               0.00001886725293
              8 vec=    10.163745      5.868041     -9.762967   |vec|=   15.266013
                2s
                   +0 :              -0.00018983443514
                2p
                   -1 :              -0.00005144434167
                   +0 :               0.00016747532489
                   +1 :              -0.00012410360020
                3s
                   +0 :               0.00054473968503
                4s
                   +0 :              -0.00022471633596
                3p
                   -1 :               0.00013600278007
                   +0 :              -0.00073242133721
                   +1 :               0.00060547765723
                4p
                   -1 :              -0.00000307109038
                   +0 :               0.00022314964829
                   +1 :              -0.00020127159498
                3d
                   -2 :               0.00008878363589
                   -1 :              -0.00013774354398
                   +0 :               0.00003666631127
                   +1 :              -0.00021147621474
                   +2 :               0.00003839373696
              9 vec=    -5.396580     -3.115717     14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00008444400741
                2p
                   -1 :               0.00001849486187
                   +0 :              -0.00001584168984
                   +1 :               0.00007891560346
                3s
                   +0 :               0.00053298105614
                4s
                   +0 :              -0.00018683505204
                3p
                   -1 :              -0.00005425279587
                   +0 :               0.00012508187737
                   +1 :              -0.00031665963523
                4p
                   -1 :               0.00000543245277
                   +0 :              -0.00005042009465
                   +1 :               0.00008953949986
                3d
                   -2 :               0.00001520857209
                   -1 :              -0.00002678675333
                   +0 :               0.00005114024889
                   +1 :              -0.00002934007091
                   +2 :               0.00001755060895
             10 vec=   -13.176743      1.376162     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00008646293530
                2p
                   -1 :              -0.00000555670165
                   +0 :              -0.00000097465865
                   +1 :              -0.00006539041876
                3s
                   +0 :              -0.00035907520215
                4s
                   +0 :               0.00013672302194
                3p
                   -1 :               0.00006774678525
                   +0 :              -0.00001767652080
                   +1 :               0.00034629284813
                4p
                   -1 :              -0.00002801564180
                   +0 :               0.00000690368865
                   +1 :              -0.00011404434742
                3d
                   -2 :               0.00001693635223
                   -1 :              -0.00003296254619
                   +0 :               0.00002523861425
                   +1 :               0.00001782803770
                   +2 :               0.00001230185353
             11 vec=    -5.396580    -12.099475     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00005870711913
                2p
                   -1 :              -0.00002661196547
                   +0 :              -0.00000023905076
                   +1 :              -0.00002775889844
                3s
                   +0 :              -0.00022014913787
                4s
                   +0 :               0.00006401293106
                3p
                   -1 :               0.00007488673321
                   +0 :               0.00000587703719
                   +1 :               0.00010918592726
                4p
                   -1 :              -0.00002711267686
                   +0 :               0.00001306818949
                   +1 :              -0.00004623173473
                3d
                   -2 :               0.00001143176336
                   -1 :              -0.00003639073388
                   +0 :              -0.00001099795973
                   +1 :               0.00000817444389
                   +2 :               0.00001898868374
             12 vec=    -5.396580      5.868041     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00000759160412
                2p
                   -1 :              -0.00001800326374
                   +0 :               0.00000094272307
                   +1 :              -0.00002731449279
                3s
                   +0 :               0.00006329763889
                4s
                   +0 :              -0.00003798122098
                3p
                   -1 :               0.00036177374623
                   +0 :              -0.00008582939281
                   +1 :               0.00031394360655
                4p
                   -1 :              -0.00003845602272
                   +0 :              -0.00001206052001
                   +1 :              -0.00006373300581
                3d
                   -2 :               0.00004174243877
                   -1 :               0.00006929011855
                   +0 :              -0.00008573318773
                   +1 :               0.00010332798893
                   +2 :              -0.00008629792116
             13 vec=     2.383582     -7.607596     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00004915331454
                2p
                   -1 :               0.00005040778387
                   +0 :              -0.00002238765212
                   +1 :               0.00000241414794
                3s
                   +0 :               0.00052598217521
                4s
                   +0 :              -0.00020675438487
                3p
                   -1 :              -0.00036432292162
                   +0 :               0.00029248431944
                   +1 :               0.00021710279378
                4p
                   -1 :               0.00009692552244
                   +0 :              -0.00012080868430
                   +1 :              -0.00004114780230
                3d
                   -2 :              -0.00005604325196
                   -1 :              -0.00004242712549
                   +0 :               0.00003000872219
                   +1 :               0.00009392794238
                   +2 :              -0.00002516093162
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 13)  npairs=  15
              1 vec=     2.174037      4.491729      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00046669730318
                2s
                   +0 :               0.00360830709827
                3s
                   +0 :              -0.00071330780602
                2p
                   -1 :               0.00000208170462
                   +0 :               0.00295333267059
                   +1 :               0.00109222615603
                3p
                   -1 :               0.00043630960529
                   +0 :              -0.00099645731485
                   +1 :               0.00067249380810
                3d
                   -2 :               0.00006641475892
                   -1 :               0.00001684102445
                   +0 :               0.00006920405588
                   +1 :               0.00028088105372
                   +2 :               0.00009551538810
              2 vec=     2.174037     -4.492029      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00059348575855
                2s
                   +0 :               0.00543167104188
                3s
                   +0 :              -0.00160460798309
                2p
                   -1 :              -0.00289182186003
                   +0 :               0.00495130104541
                   +1 :              -0.00084860396180
                3p
                   -1 :               0.00036791001894
                   +0 :              -0.00162090630735
                   +1 :              -0.00061864950424
                3d
                   -2 :               0.00023945891594
                   -1 :               0.00005307718696
                   +0 :               0.00005453939413
                   +1 :              -0.00036555696514
                   +2 :              -0.00024727373555
              3 vec=    -5.606126     -0.000150      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00049921367889
                2s
                   +0 :               0.00405323399472
                3s
                   +0 :              -0.00059208204438
                2p
                   -1 :               0.00192636153280
                   +0 :               0.00171986672923
                   +1 :              -0.00218018311405
                3p
                   -1 :              -0.00072693139103
                   +0 :               0.00070077520603
                   +1 :               0.00025930254571
                3d
                   -2 :              -0.00001899134775
                   -1 :               0.00019332023391
                   +0 :               0.00011099997554
                   +1 :              -0.00003523746871
                   +2 :              -0.00006838956979
              4 vec=     9.954199     -0.000150      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00005511397268
                2s
                   +0 :               0.00070201101688
                3s
                   +0 :              -0.00025203885173
                2p
                   -1 :              -0.00059266975307
                   +0 :               0.00000649970830
                   +1 :               0.00040805680090
                3p
                   -1 :               0.00021084332399
                   +0 :              -0.00015620652027
                   +1 :              -0.00023656618920
                3d
                   -2 :               0.00001224095548
                   -1 :               0.00001677026223
                   +0 :              -0.00001192833689
                   +1 :              -0.00006579784297
                   +2 :              -0.00001232446237
              5 vec=    -5.606126      8.983608      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00003305164584
                2s
                   +0 :               0.00045073760772
                3s
                   +0 :              -0.00005337550356
                2p
                   -1 :               0.00035485189288
                   +0 :               0.00016058480825
                   +1 :              -0.00012904365211
                3p
                   -1 :               0.00002218653006
                   +0 :              -0.00016058303755
                   +1 :               0.00009247012490
                3d
                   -2 :              -0.00001788486175
                   -1 :               0.00000555765852
                   +0 :              -0.00001911432792
                   +1 :               0.00001199360348
                   +2 :              -0.00001576878744
              6 vec=    -5.606126     -8.983908      8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00004350783432
                2s
                   +0 :              -0.00017539227000
                3s
                   +0 :               0.00012277706188
                2p
                   -1 :               0.00010987343898
                   +0 :              -0.00029247970780
                   +1 :               0.00007146764456
                3p
                   -1 :              -0.00010044162159
                   +0 :               0.00019655320978
                   +1 :              -0.00009306285377
                3d
                   -2 :               0.00002000290226
                   -1 :              -0.00000780165503
                   +0 :              -0.00000009913652
                   +1 :              -0.00001140282495
                   +2 :              -0.00000479472998
              7 vec=     9.954199      8.983608      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00001766179650
                2s
                   +0 :              -0.00005855493048
                3s
                   +0 :               0.00009028035886
                2p
                   -1 :              -0.00005290811570
                   +0 :               0.00005343531214
                   +1 :              -0.00022296405832
                3p
                   -1 :               0.00012859921233
                   +0 :              -0.00000809907092
                   +1 :               0.00021753048276
                3d
                   -2 :               0.00000190384928
                   -1 :               0.00001520314918
                   +0 :               0.00000022800072
                   +1 :               0.00000453856963
                   +2 :              -0.00000707061040
              8 vec=     9.954199     -8.983908      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00002450629931
                2s
                   +0 :              -0.00020496752516
                3s
                   +0 :               0.00011723996253
                2p
                   -1 :               0.00019759733895
                   +0 :              -0.00009316593678
                   +1 :              -0.00027193293848
                3p
                   -1 :              -0.00012278961137
                   +0 :               0.00005968713912
                   +1 :               0.00016756433009
                3d
                   -2 :               0.00000129178643
                   -1 :               0.00000310274262
                   +0 :               0.00001185270960
                   +1 :               0.00000826407528
                   +2 :               0.00000551640900
              9 vec=     2.174037     13.475487      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00000298611175
                2s
                   +0 :               0.00001981395070
                3s
                   +0 :              -0.00004343176853
                2p
                   -1 :               0.00010650507009
                   +0 :               0.00002100622971
                   +1 :              -0.00004260454526
                3p
                   -1 :              -0.00008759615796
                   +0 :               0.00007080389520
                   +1 :               0.00002618409016
                3d
                   -2 :              -0.00000656636346
                   -1 :               0.00001680846608
                   +0 :               0.00000615833980
                   +1 :              -0.00000177883032
                   +2 :              -0.00000107028044
             10 vec=     2.174037    -13.475787      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00000929481200
                2s
                   +0 :               0.00000697856762
                3s
                   +0 :               0.00001217028886
                2p
                   -1 :              -0.00012749484913
                   +0 :               0.00007998135694
                   +1 :               0.00018361535713
                3p
                   -1 :               0.00008290250108
                   +0 :              -0.00004727804559
                   +1 :              -0.00009379131137
                3d
                   -2 :               0.00000076544987
                   -1 :               0.00000983929504
                   +0 :              -0.00000034712619
                   +1 :              -0.00000693634292
                   +2 :               0.00000182825445
             11 vec=   -13.386289      4.491729      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00001062470519
                2s
                   +0 :               0.00011015002294
                3s
                   +0 :              -0.00000064801980
                2p
                   -1 :               0.00006103193837
                   +0 :              -0.00008872884785
                   +1 :              -0.00013247527699
                3p
                   -1 :              -0.00003331590361
                   +0 :               0.00006285830929
                   +1 :               0.00001900015080
                3d
                   -2 :               0.00000290636868
                   -1 :               0.00000371150129
                   +0 :              -0.00000009694818
                   +1 :              -0.00000559646541
                   +2 :              -0.00000066123554
             12 vec=   -13.386289     -4.492029      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000718108480
                2s
                   +0 :               0.00006939472195
                3s
                   +0 :               0.00000322158589
                2p
                   -1 :              -0.00005423500257
                   +0 :               0.00001049133934
                   +1 :              -0.00011925257028
                3p
                   -1 :               0.00004698966060
                   +0 :              -0.00000913313344
                   +1 :               0.00005522250136
                3d
                   -2 :              -0.00000250083733
                   -1 :              -0.00000549202875
                   +0 :               0.00000224652395
                   +1 :              -0.00000157525688
                   +2 :              -0.00000046296749
             13 vec=     2.174037      4.491729    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00003341484661
                2s
                   +0 :              -0.00022429747783
                3s
                   +0 :               0.00008518168559
                2p
                   -1 :              -0.00021381994393
                   +0 :               0.00030288668436
                   +1 :              -0.00002242367736
                3p
                   -1 :               0.00011737605904
                   +0 :              -0.00014763558042
                   +1 :               0.00006474162763
                3d
                   -2 :               0.00000206439508
                   -1 :              -0.00000099475430
                   +0 :               0.00000277557821
                   +1 :              -0.00000416645348
                   +2 :               0.00000514152686
             14 vec=     2.174037     -4.492029    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00002126130733
                2s
                   +0 :              -0.00018047694553
                3s
                   +0 :               0.00004585346279
                2p
                   -1 :              -0.00010630060967
                   +0 :               0.00020820195712
                   +1 :              -0.00005994337630
                3p
                   -1 :               0.00002714451634
                   +0 :              -0.00008244997512
                   +1 :               0.00003738108812
                3d
                   -2 :              -0.00000186331134
                   -1 :               0.00000835056046
                   +0 :               0.00000529445914
                   +1 :              -0.00000197173929
                   +2 :              -0.00000604350512
             15 vec=    -5.606126     -0.000150    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000867061646
                2s
                   +0 :              -0.00009914975700
                3s
                   +0 :              -0.00000404734554
                2p
                   -1 :               0.00005618691694
                   +0 :               0.00015918800918
                   +1 :              -0.00000346104148
                3p
                   -1 :               0.00003222106608
                   +0 :              -0.00000162784105
                   +1 :               0.00002263724711
                3d
                   -2 :               0.00000013225200
                   -1 :              -0.00001061158397
                   +0 :              -0.00000217359696
                   +1 :              -0.00000310515188
                   +2 :               0.00000629046806
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 14)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00034046239039
                2s
                   +0 :               0.00336793341713
                3s
                   +0 :              -0.00051463054075
                2p
                   -1 :               0.00238905228800
                   +0 :               0.00236357156747
                   +1 :               0.00218519276810
                3p
                   -1 :              -0.00025785720925
                   +0 :              -0.00047826703017
                   +1 :              -0.00059913476277
                3d
                   -2 :               0.00005604355075
                   -1 :               0.00011816719419
                   +0 :              -0.00000470393407
                   +1 :               0.00007909380344
                   +2 :              -0.00002019674057
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00048286829960
                2s
                   +0 :               0.00497872996796
                3s
                   +0 :              -0.00068175521082
                2p
                   -1 :               0.00145877422491
                   +0 :               0.00518932292740
                   +1 :              -0.00365395495130
                3p
                   -1 :              -0.00002378994920
                   +0 :              -0.00103246483369
                   +1 :               0.00131759720133
                3d
                   -2 :              -0.00003685292596
                   -1 :               0.00008171652315
                   +0 :               0.00009630247916
                   +1 :              -0.00011533020239
                   +2 :               0.00001103985355
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00032314081075
                2s
                   +0 :               0.00283330233677
                3s
                   +0 :              -0.00066972230577
                2p
                   -1 :              -0.00112433426996
                   +0 :               0.00279384763374
                   +1 :              -0.00152428937030
                3p
                   -1 :              -0.00042879337220
                   +0 :              -0.00074995210639
                   +1 :               0.00184418147489
                3d
                   -2 :              -0.00032180803096
                   -1 :              -0.00008462575951
                   +0 :               0.00007014250185
                   +1 :               0.00046609105949
                   +2 :              -0.00025688035473
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00002652727121
                2s
                   +0 :              -0.00000869066195
                3s
                   +0 :               0.00009239280477
                2p
                   -1 :               0.00012731988814
                   +0 :              -0.00028444476457
                   +1 :               0.00034682726968
                3p
                   -1 :               0.00004072556220
                   +0 :               0.00019873473233
                   +1 :              -0.00041292241935
                3d
                   -2 :              -0.00003989396408
                   -1 :              -0.00000860169321
                   +0 :               0.00003711627484
                   +1 :              -0.00001695088081
                   +2 :               0.00000672623857
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00003278640915
                2s
                   +0 :              -0.00006691049088
                3s
                   +0 :               0.00008070425025
                2p
                   -1 :               0.00024967242608
                   +0 :               0.00029656782037
                   +1 :               0.00007355624606
                3p
                   -1 :              -0.00015199124552
                   +0 :              -0.00029153868962
                   +1 :              -0.00002909154427
                3d
                   -2 :              -0.00000322071113
                   -1 :               0.00001471539296
                   +0 :               0.00003452287496
                   +1 :              -0.00003304750253
                   +2 :               0.00000109660589
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000801008223
                2s
                   +0 :               0.00029065870188
                3s
                   +0 :               0.00001916826728
                2p
                   -1 :              -0.00019158772879
                   +0 :              -0.00042820807470
                   +1 :              -0.00050469728179
                3p
                   -1 :               0.00012881115271
                   +0 :               0.00013634211468
                   +1 :               0.00026031707894
                3d
                   -2 :              -0.00003050500045
                   -1 :               0.00002206130920
                   +0 :              -0.00000023029010
                   +1 :               0.00004115647413
                   +2 :               0.00000807798562
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000364704746
                2s
                   +0 :               0.00006838300251
                3s
                   +0 :               0.00002958559925
                2p
                   -1 :              -0.00013057064222
                   +0 :              -0.00018518061817
                   +1 :              -0.00013324841009
                3p
                   -1 :               0.00011341214514
                   +0 :               0.00016736662931
                   +1 :               0.00023883508707
                3d
                   -2 :               0.00000060451817
                   -1 :              -0.00000285330739
                   +0 :              -0.00001312321933
                   +1 :               0.00001414282592
                   +2 :               0.00001384627454
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000074276368
                2s
                   +0 :               0.00007356108561
                3s
                   +0 :               0.00002035196245
                2p
                   -1 :              -0.00000921835115
                   +0 :              -0.00002624012241
                   +1 :               0.00004523857495
                3p
                   -1 :              -0.00003887822941
                   +0 :               0.00003028934638
                   +1 :               0.00004329074150
                3d
                   -2 :              -0.00000310959753
                   -1 :              -0.00000444893050
                   +0 :              -0.00000586592904
                   +1 :              -0.00000311893894
                   +2 :              -0.00000586599740
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001417139147
                2s
                   +0 :              -0.00009067185719
                3s
                   +0 :              -0.00001553752038
                2p
                   -1 :              -0.00011733527300
                   +0 :               0.00006755021046
                   +1 :               0.00002470302604
                3p
                   -1 :               0.00002222536127
                   +0 :               0.00002941173527
                   +1 :               0.00000414378054
                3d
                   -2 :               0.00000506271442
                   -1 :               0.00000542576368
                   +0 :              -0.00000072717291
                   +1 :              -0.00000091524474
                   +2 :               0.00000784060677
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001386200185
                2s
                   +0 :              -0.00004996695441
                3s
                   +0 :               0.00007147589117
                2p
                   -1 :               0.00002229310437
                   +0 :              -0.00006301250069
                   +1 :              -0.00005608207171
                3p
                   -1 :               0.00004364672539
                   +0 :               0.00006493511621
                   +1 :               0.00002571955771
                3d
                   -2 :              -0.00000159065745
                   -1 :               0.00000396746895
                   +0 :               0.00000620881308
                   +1 :              -0.00000058695751
                   +2 :              -0.00000275265771
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000461036522
                2s
                   +0 :               0.00003116349832
                3s
                   +0 :               0.00001256035085
                2p
                   -1 :              -0.00008670112165
                   +0 :               0.00002503086759
                   +1 :              -0.00006289958012
                3p
                   -1 :               0.00002402619958
                   +0 :              -0.00000095099768
                   +1 :               0.00001366428000
                3d
                   -2 :               0.00000127111542
                   -1 :               0.00000156982182
                   +0 :               0.00000177187455
                   +1 :              -0.00000101322186
                   +2 :               0.00000170621157
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00001459526242
                2s
                   +0 :              -0.00010728845128
                3s
                   +0 :               0.00015456006707
                2p
                   -1 :               0.00001747605371
                   +0 :              -0.00015752967963
                   +1 :               0.00025287262924
                3p
                   -1 :              -0.00004412485737
                   +0 :               0.00015995235787
                   +1 :              -0.00022749016698
                3d
                   -2 :               0.00002460341900
                   -1 :              -0.00002782159254
                   +0 :               0.00001968547046
                   +1 :              -0.00004806515918
                   +2 :               0.00001393440775
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000557188880
                2s
                   +0 :              -0.00001452892489
                3s
                   +0 :              -0.00003939747104
                2p
                   -1 :               0.00007698586829
                   +0 :               0.00014105892386
                   +1 :               0.00008268595976
                3p
                   -1 :              -0.00002406699367
                   +0 :               0.00001778537488
                   +1 :              -0.00011591025183
                3d
                   -2 :              -0.00000060878894
                   -1 :              -0.00000840203378
                   +0 :               0.00000255577193
                   +1 :               0.00000600044474
                   +2 :              -0.00000365796365
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003496763724
                2s
                   +0 :              -0.00024533407883
                3s
                   +0 :               0.00009291937031
                2p
                   -1 :               0.00005726589894
                   +0 :               0.00017574656524
                   +1 :              -0.00005166637371
                3p
                   -1 :              -0.00008207229200
                   +0 :              -0.00007151407659
                   +1 :               0.00000102156654
                3d
                   -2 :               0.00000064076997
                   -1 :               0.00000708809805
                   +0 :               0.00000823984831
                   +1 :               0.00000261207034
                   +2 :               0.00000764994444
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001813483268
                2s
                   +0 :              -0.00014805236979
                3s
                   +0 :               0.00001918505626
                2p
                   -1 :              -0.00007684956395
                   +0 :               0.00008677000365
                   +1 :               0.00006090241101
                3p
                   -1 :               0.00003068477158
                   +0 :               0.00005546493318
                   +1 :              -0.00000784534258
                3d
                   -2 :               0.00000263521283
                   -1 :               0.00000370127520
                   +0 :              -0.00000506232729
                   +1 :              -0.00000436102059
                   +2 :               0.00000533461006
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 15)  npairs=  14
              1 vec=    -0.209805     -0.363094      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00037367407897
                2s
                   +0 :               0.00100950884860
                3s
                   +0 :              -0.00098659275168
                2p
                   -1 :              -0.00200083390187
                   +0 :               0.00345935098213
                   +1 :               0.00214338974441
                3p
                   -1 :               0.00115586766372
                   +0 :              -0.00269325373491
                   +1 :              -0.00127969526470
                3d
                   -2 :              -0.00004522335947
                   -1 :               0.00003380014805
                   +0 :              -0.00034717456139
                   +1 :               0.00002647309971
                   +2 :              -0.00000454961918
              2 vec=     7.570358      4.128785      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00016469354570
                2s
                   +0 :              -0.00051657684476
                3s
                   +0 :               0.00061294479600
                2p
                   -1 :               0.00132123642165
                   +0 :              -0.00105537604943
                   +1 :               0.00064037888623
                3p
                   -1 :              -0.00094461842090
                   +0 :               0.00069978780476
                   +1 :              -0.00017914552506
                3d
                   -2 :              -0.00002199902649
                   -1 :              -0.00000725895861
                   +0 :               0.00001424578933
                   +1 :              -0.00003058645896
                   +2 :              -0.00003770167883
              3 vec=    -0.209805      8.620664      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00013355700016
                2s
                   +0 :              -0.00188975101355
                3s
                   +0 :               0.00022049954602
                2p
                   -1 :               0.00023182797942
                   +0 :              -0.00093637316548
                   +1 :               0.00034017474028
                3p
                   -1 :               0.00024951630144
                   +0 :               0.00009256590324
                   +1 :               0.00012092957756
                3d
                   -2 :               0.00003428931439
                   -1 :              -0.00002070208951
                   +0 :              -0.00020415608626
                   +1 :               0.00005664882739
                   +2 :              -0.00007086677305
              4 vec=     7.570358     -4.854973      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00001402500221
                2s
                   +0 :               0.00032826103430
                3s
                   +0 :              -0.00010198666366
                2p
                   -1 :              -0.00040705141082
                   +0 :               0.00005842842590
                   +1 :               0.00051781005376
                3p
                   -1 :               0.00014563622860
                   +0 :              -0.00001594284702
                   +1 :              -0.00005064554730
                3d
                   -2 :               0.00000789453821
                   -1 :               0.00003008379147
                   +0 :              -0.00000476101899
                   +1 :              -0.00000674839181
                   +2 :               0.00000766710776
              5 vec=    -7.989968      4.128785      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00005548020858
                2s
                   +0 :               0.00097692816958
                3s
                   +0 :              -0.00008776326011
                2p
                   -1 :               0.00034156713428
                   +0 :              -0.00019217934006
                   +1 :              -0.00040438824638
                3p
                   -1 :              -0.00005054031848
                   +0 :              -0.00001008818684
                   +1 :              -0.00005858484682
                3d
                   -2 :              -0.00001512859078
                   -1 :              -0.00001624475976
                   +0 :              -0.00002060246902
                   +1 :               0.00000235384956
                   +2 :               0.00003244037688
              6 vec=    -0.209805     -9.346852      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00017376785284
                2s
                   +0 :               0.00139411676979
                3s
                   +0 :              -0.00052472641755
                2p
                   -1 :              -0.00147655001941
                   +0 :               0.00012490579436
                   +1 :              -0.00012348408750
                3p
                   -1 :               0.00072400288955
                   +0 :              -0.00015254113872
                   +1 :               0.00006647717545
                3d
                   -2 :               0.00000185098659
                   -1 :               0.00001259395648
                   +0 :              -0.00000529619125
                   +1 :              -0.00002425711128
                   +2 :               0.00002002007005
              7 vec=    -7.989968     -4.854973      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00003209470978
                2s
                   +0 :               0.00040557186946
                3s
                   +0 :              -0.00006115129038
                2p
                   -1 :              -0.00035970129719
                   +0 :              -0.00011701942186
                   +1 :              -0.00059733944162
                3p
                   -1 :               0.00010757931394
                   +0 :               0.00017622188738
                   +1 :               0.00016773307475
                3d
                   -2 :              -0.00001657880699
                   -1 :              -0.00002197760907
                   +0 :               0.00004979573880
                   +1 :               0.00000354781280
                   +2 :               0.00003910433670
              8 vec=    -0.209805     -0.363094    -16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000783569171
                2s
                   +0 :               0.00006763912049
                3s
                   +0 :              -0.00005344097368
                2p
                   -1 :               0.00008126013730
                   +0 :              -0.00000613054295
                   +1 :              -0.00005660512278
                3p
                   -1 :              -0.00006496989619
                   +0 :               0.00005843089353
                   +1 :               0.00008264430487
                3d
                   -2 :              -0.00000031963126
                   -1 :               0.00000020494577
                   +0 :              -0.00001320935359
                   +1 :              -0.00000512712757
                   +2 :              -0.00000826959295
              9 vec=     7.570358     13.112543      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00001603514819
                2s
                   +0 :              -0.00014609014901
                3s
                   +0 :               0.00012811475130
                2p
                   -1 :              -0.00024459901851
                   +0 :              -0.00010841364403
                   +1 :               0.00004927904748
                3p
                   -1 :               0.00020117373355
                   +0 :               0.00010041854025
                   +1 :              -0.00002551132687
                3d
                   -2 :              -0.00000033971620
                   -1 :               0.00003546753344
                   +0 :               0.00001178054148
                   +1 :               0.00000029843823
                   +2 :              -0.00002158362232
             10 vec=    15.350520     -0.363094      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00002061876605
                2s
                   +0 :               0.00017464064285
                3s
                   +0 :              -0.00002827249303
                2p
                   -1 :               0.00000496060771
                   +0 :               0.00005950335027
                   +1 :               0.00006814973539
                3p
                   -1 :               0.00001623585912
                   +0 :              -0.00000957918118
                   +1 :              -0.00001697560662
                3d
                   -2 :              -0.00000142208144
                   -1 :               0.00000393701006
                   +0 :              -0.00000023084427
                   +1 :               0.00000628011117
                   +2 :               0.00000464010989
             11 vec=    -7.989968     13.112543      8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00000900915600
                2s
                   +0 :               0.00010033040515
                3s
                   +0 :              -0.00000418714268
                2p
                   -1 :               0.00008225037140
                   +0 :               0.00002845350924
                   +1 :               0.00000008833729
                3p
                   -1 :              -0.00001811749744
                   +0 :               0.00002822695386
                   +1 :              -0.00004173254936
                3d
                   -2 :              -0.00000609241793
                   -1 :              -0.00000121589801
                   +0 :               0.00000204693037
                   +1 :              -0.00000691842297
                   +2 :               0.00000287578745
             12 vec=     7.570358    -13.838731      8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000304191258
                2s
                   +0 :              -0.00001493785573
                3s
                   +0 :               0.00001948442610
                2p
                   -1 :              -0.00005472189564
                   +0 :               0.00000865649177
                   +1 :              -0.00002711927279
                3p
                   -1 :               0.00002550456467
                   +0 :               0.00001166217354
                   +1 :               0.00003938710167
                3d
                   -2 :               0.00000009541115
                   -1 :               0.00000098989603
                   +0 :               0.00000153266551
                   +1 :              -0.00000141024281
                   +2 :               0.00000447397577
             13 vec=   -15.770130     -0.363094      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000301209450
                2s
                   +0 :               0.00006662531680
                3s
                   +0 :               0.00002082740644
                2p
                   -1 :               0.00000804580342
                   +0 :               0.00004151121557
                   +1 :               0.00000936612444
                3p
                   -1 :              -0.00000509456866
                   +0 :              -0.00000552219466
                   +1 :              -0.00007630952671
                3d
                   -2 :               0.00000014110289
                   -1 :               0.00000026167342
                   +0 :              -0.00000192207383
                   +1 :              -0.00000461693048
                   +2 :               0.00000735205128
             14 vec=    -7.989968    -13.838731      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000181687415
                2s
                   +0 :               0.00001989296214
                3s
                   +0 :              -0.00000218684861
                2p
                   -1 :              -0.00003896383288
                   +0 :              -0.00002425433075
                   +1 :              -0.00000675308388
                3p
                   -1 :               0.00001060628930
                   +0 :               0.00001918542745
                   +1 :              -0.00000636974814
                3d
                   -2 :              -0.00000174493155
                   -1 :               0.00000021011702
                   +0 :              -0.00000250669679
                   +1 :              -0.00000163387868
                   +2 :              -0.00000015532825
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 16)  npairs=  14
              1 vec=    -2.593647     -1.739405     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00244480290500
                2s
                   +0 :              -0.05291713171730
                3s
                   +0 :               0.00361095973478
                2p
                   -1 :               0.01751023931343
                   +0 :               0.02508600057968
                   +1 :               0.01856720259043
                3p
                   -1 :              -0.00349871792190
                   +0 :              -0.00004998677353
                   +1 :               0.00043341467412
                3d
                   -2 :              -0.00136375027711
                   -1 :              -0.00215197074370
                   +0 :              -0.00100940089212
                   +1 :              -0.00213461910807
                   +2 :              -0.00005554124990
              2 vec=     5.186516      2.752474     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00227431978563
                2s
                   +0 :              -0.01623688272556
                3s
                   +0 :               0.00762274220947
                2p
                   -1 :              -0.00653188121567
                   +0 :               0.00577509921721
                   +1 :              -0.01381433776500
                3p
                   -1 :               0.00488312621601
                   +0 :              -0.00451353909850
                   +1 :               0.00970336625294
                3d
                   -2 :               0.00063174267498
                   -1 :              -0.00023784875702
                   +0 :              -0.00035756250676
                   +1 :              -0.00046091053357
                   +2 :               0.00042331166944
              3 vec=    -2.593647      7.244353     -4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00009558940108
                2s
                   +0 :              -0.00087320127239
                3s
                   +0 :              -0.00005024533821
                2p
                   -1 :              -0.00396285092961
                   +0 :              -0.00274904071783
                   +1 :               0.00388964661596
                3p
                   -1 :               0.00139229442433
                   +0 :               0.00056370608329
                   +1 :              -0.00155884013958
                3d
                   -2 :               0.00006762314148
                   -1 :              -0.00013583500170
                   +0 :               0.00012212165196
                   +1 :               0.00002648520750
                   +2 :               0.00003714050183
              4 vec=     5.186516     -6.231284     -4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00016867918136
                2s
                   +0 :              -0.00120198227014
                3s
                   +0 :               0.00017294154314
                2p
                   -1 :               0.00231773860787
                   +0 :              -0.00193827939755
                   +1 :               0.00000018852303
                3p
                   -1 :               0.00015731280258
                   +0 :               0.00056811205016
                   +1 :              -0.00095151001335
                3d
                   -2 :               0.00021758464061
                   -1 :               0.00001803647281
                   +0 :               0.00014640987123
                   +1 :              -0.00002633966561
                   +2 :               0.00002486603655
              5 vec=   -10.373810      2.752474     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00004552833389
                2s
                   +0 :              -0.00060120267215
                3s
                   +0 :               0.00017949570069
                2p
                   -1 :               0.00051999449943
                   +0 :              -0.00018448712314
                   +1 :               0.00069775723573
                3p
                   -1 :              -0.00059454572469
                   +0 :               0.00011912963498
                   +1 :              -0.00045661801059
                3d
                   -2 :               0.00001655442895
                   -1 :               0.00002313422159
                   +0 :              -0.00004694704177
                   +1 :               0.00002999526437
                   +2 :               0.00007174605287
              6 vec=    -2.593647    -10.723163     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00006918106013
                2s
                   +0 :              -0.00045525816159
                3s
                   +0 :               0.00022180573274
                2p
                   -1 :               0.00081662143213
                   +0 :              -0.00030966622122
                   +1 :              -0.00051314157541
                3p
                   -1 :              -0.00077907174029
                   +0 :               0.00014934881274
                   +1 :               0.00037712081357
                3d
                   -2 :               0.00003723084148
                   -1 :               0.00000575054720
                   +0 :              -0.00003196819067
                   +1 :              -0.00001161348526
                   +2 :              -0.00005658824740
              7 vec=   -10.373810     -6.231284     -4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00000634028196
                2s
                   +0 :              -0.00012667735588
                3s
                   +0 :              -0.00002969786065
                2p
                   -1 :              -0.00014805885229
                   +0 :               0.00028566151560
                   +1 :              -0.00005778040786
                3p
                   -1 :               0.00011424858821
                   +0 :              -0.00014039995713
                   +1 :               0.00016519601569
                3d
                   -2 :               0.00001493432675
                   -1 :              -0.00000916732194
                   +0 :               0.00000536036429
                   +1 :               0.00002833967595
                   +2 :               0.00002815492182
              8 vec=     5.186516     11.736232     -4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00000163184069
                2s
                   +0 :              -0.00020320996302
                3s
                   +0 :              -0.00009475249028
                2p
                   -1 :              -0.00014251912938
                   +0 :               0.00008039988075
                   +1 :               0.00002438836077
                3p
                   -1 :              -0.00015290272056
                   +0 :              -0.00005307170519
                   +1 :              -0.00016965531842
                3d
                   -2 :              -0.00003739249104
                   -1 :              -0.00000850039929
                   +0 :               0.00002491875761
                   +1 :              -0.00001628568261
                   +2 :               0.00002021387873
              9 vec=    12.966678     -1.739405     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00000113729154
                2s
                   +0 :              -0.00006508023983
                3s
                   +0 :              -0.00003239932155
                2p
                   -1 :               0.00022487355284
                   +0 :              -0.00015870697395
                   +1 :              -0.00008686248681
                3p
                   -1 :              -0.00015883952428
                   +0 :               0.00010889369954
                   +1 :               0.00000886743732
                3d
                   -2 :               0.00000155959521
                   -1 :               0.00000562114114
                   +0 :               0.00000427548956
                   +1 :               0.00000406819775
                   +2 :               0.00001688401265
             10 vec=    12.966678      7.244353     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00002156253225
                2s
                   +0 :              -0.00012328079329
                3s
                   +0 :               0.00003091242606
                2p
                   -1 :              -0.00005369306390
                   +0 :               0.00007778873202
                   +1 :              -0.00019265255336
                3p
                   -1 :               0.00001791306099
                   +0 :              -0.00008495403042
                   +1 :               0.00008861007898
                3d
                   -2 :              -0.00001019667347
                   -1 :               0.00000331411778
                   +0 :               0.00001267838889
                   +1 :              -0.00001073564435
                   +2 :              -0.00001453623473
             11 vec=   -10.373810     11.736232     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00000621982994
                2s
                   +0 :              -0.00003001260318
                3s
                   +0 :              -0.00000470646328
                2p
                   -1 :              -0.00001034082994
                   +0 :              -0.00002924895601
                   +1 :               0.00003830290330
                3p
                   -1 :              -0.00000890043486
                   +0 :               0.00001019424691
                   +1 :               0.00001547720417
                3d
                   -2 :              -0.00000309643693
                   -1 :               0.00000150492527
                   +0 :               0.00001119986814
                   +1 :              -0.00000611774768
                   +2 :              -0.00000765170319
             12 vec=     5.186516    -15.215042     -4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00002072251860
                2s
                   +0 :               0.00012941967553
                3s
                   +0 :              -0.00006355223282
                2p
                   -1 :              -0.00008528229510
                   +0 :               0.00004282073131
                   +1 :               0.00008513094498
                3p
                   -1 :               0.00007375881543
                   +0 :              -0.00006123294419
                   +1 :              -0.00006065373411
                3d
                   -2 :               0.00000192880300
                   -1 :               0.00000051758637
                   +0 :               0.00000743992924
                   +1 :               0.00000176622141
                   +2 :               0.00000160873869
             13 vec=    -2.593647     16.228111     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000169714570
                2s
                   +0 :               0.00002703085479
                3s
                   +0 :              -0.00000386389686
                2p
                   -1 :               0.00001115291052
                   +0 :              -0.00009273298830
                   +1 :               0.00004740008414
                3p
                   -1 :              -0.00001007536610
                   +0 :               0.00005986919481
                   +1 :              -0.00005848543131
                3d
                   -2 :               0.00000316958201
                   -1 :              -0.00000163735823
                   +0 :              -0.00000407576081
                   +1 :               0.00000425922315
                   +2 :               0.00000350418407
             14 vec=    12.966678    -10.723163     -4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00000187222307
                2s
                   +0 :              -0.00001018623229
                3s
                   +0 :               0.00000204941620
                2p
                   -1 :              -0.00005313358676
                   +0 :               0.00004594368204
                   +1 :              -0.00006235223830
                3p
                   -1 :               0.00001921804273
                   +0 :              -0.00006292362636
                   +1 :               0.00002472451775
                3d
                   -2 :              -0.00000151707206
                   -1 :               0.00000040908053
                   +0 :               0.00000198626278
                   +1 :              -0.00000017357557
                   +2 :               0.00000100435815
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 17)  npairs=  14
              1 vec=     2.174037     -1.739405     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00269559740430
                2s
                   +0 :              -0.08187054589168
                3s
                   +0 :               0.00475938177092
                2p
                   -1 :               0.02456678541560
                   +0 :               0.04394476996882
                   +1 :              -0.02784787873936
                3p
                   -1 :              -0.00261477072142
                   +0 :              -0.00588337641994
                   +1 :               0.00377470695748
                3d
                   -2 :               0.00217058925756
                   -1 :              -0.00109200696488
                   +0 :              -0.00101678830652
                   +1 :               0.00127720059617
                   +2 :              -0.00027972597748
              2 vec=    -5.606126      2.752474     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00040521193650
                2s
                   +0 :              -0.00304751216606
                3s
                   +0 :               0.00143797508691
                2p
                   -1 :              -0.00330061017245
                   +0 :               0.00184797340648
                   +1 :               0.00181111898359
                3p
                   -1 :               0.00230323081632
                   +0 :              -0.00074350381582
                   +1 :              -0.00041277280064
                3d
                   -2 :              -0.00016723834279
                   -1 :              -0.00011907720530
                   +0 :              -0.00038998845834
                   +1 :               0.00005408692383
                   +2 :               0.00015225710363
              3 vec=     2.174037      7.244353     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00024984238942
                2s
                   +0 :              -0.00110825569393
                3s
                   +0 :               0.00086822985045
                2p
                   -1 :              -0.00257377172188
                   +0 :              -0.00360324440793
                   +1 :              -0.00212177280155
                3p
                   -1 :               0.00204679132717
                   +0 :               0.00061563790701
                   +1 :              -0.00007760727076
                3d
                   -2 :              -0.00015146928962
                   -1 :              -0.00026622238821
                   +0 :               0.00001334943332
                   +1 :              -0.00004770126416
                   +2 :              -0.00012654810081
              4 vec=    -5.606126     -6.231284     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00026114830535
                2s
                   +0 :              -0.00187113886022
                3s
                   +0 :               0.00060416193918
                2p
                   -1 :               0.00211258269694
                   +0 :               0.00028470059443
                   +1 :               0.00150690948394
                3p
                   -1 :              -0.00040009687007
                   +0 :              -0.00113508450408
                   +1 :              -0.00084353957170
                3d
                   -2 :              -0.00004196917306
                   -1 :               0.00012455924185
                   +0 :               0.00001529310177
                   +1 :               0.00010225488206
                   +2 :               0.00005087218317
              5 vec=     9.954199      2.752474     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00018109829031
                2s
                   +0 :               0.00079705340109
                3s
                   +0 :              -0.00040853481200
                2p
                   -1 :               0.00064640365233
                   +0 :               0.00096834976245
                   +1 :              -0.00117944558688
                3p
                   -1 :              -0.00057019433141
                   +0 :              -0.00104702764316
                   +1 :               0.00091686605872
                3d
                   -2 :               0.00000051785900
                   -1 :               0.00002779118772
                   +0 :              -0.00007741739930
                   +1 :              -0.00004765292019
                   +2 :               0.00012866178720
              6 vec=     2.174037    -10.723163     -4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00003297756803
                2s
                   +0 :              -0.00015691968057
                3s
                   +0 :               0.00000823634000
                2p
                   -1 :               0.00057092342499
                   +0 :               0.00001573104338
                   +1 :               0.00035253140947
                3p
                   -1 :              -0.00058491507247
                   +0 :              -0.00012217743519
                   +1 :              -0.00024052647101
                3d
                   -2 :              -0.00001996875232
                   -1 :              -0.00003590810047
                   +0 :              -0.00000000224863
                   +1 :               0.00000639262279
                   +2 :              -0.00001281492287
              7 vec=     9.954199     -6.231284     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00002282425046
                2s
                   +0 :              -0.00031762553216
                3s
                   +0 :               0.00006278965128
                2p
                   -1 :              -0.00029664995383
                   +0 :               0.00011469175098
                   +1 :              -0.00049933825296
                3p
                   -1 :               0.00007917170799
                   +0 :               0.00001681378755
                   +1 :               0.00030752621910
                3d
                   -2 :              -0.00000996173224
                   -1 :               0.00001305268654
                   +0 :              -0.00002100326717
                   +1 :              -0.00001233972704
                   +2 :              -0.00000664754416
              8 vec=    -5.606126     11.736232     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00000749757068
                2s
                   +0 :              -0.00022217605213
                3s
                   +0 :              -0.00018351479752
                2p
                   -1 :               0.00002034592578
                   +0 :               0.00004431640757
                   +1 :               0.00031400618577
                3p
                   -1 :              -0.00043429712846
                   +0 :               0.00006646747624
                   +1 :               0.00002370802187
                3d
                   -2 :               0.00004653583010
                   -1 :               0.00002690620930
                   +0 :               0.00000999414838
                   +1 :              -0.00000942187332
                   +2 :               0.00003823965266
              9 vec=   -13.386289     -1.739405     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00000236605276
                2s
                   +0 :              -0.00010130423534
                3s
                   +0 :              -0.00006838002551
                2p
                   -1 :              -0.00012854335134
                   +0 :              -0.00005346991064
                   +1 :              -0.00001431166187
                3p
                   -1 :               0.00011277684668
                   +0 :               0.00004686615342
                   +1 :               0.00020719356575
                3d
                   -2 :              -0.00000965700988
                   -1 :               0.00001547120229
                   +0 :               0.00002953347597
                   +1 :              -0.00001146982125
                   +2 :              -0.00002301160404
             10 vec=   -13.386289      7.244353     -4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000876449411
                2s
                   +0 :               0.00000746317076
                3s
                   +0 :              -0.00002017103894
                2p
                   -1 :              -0.00008183632397
                   +0 :               0.00002198376161
                   +1 :              -0.00003800893098
                3p
                   -1 :               0.00005028335017
                   +0 :              -0.00001427467124
                   +1 :               0.00009513637855
                3d
                   -2 :              -0.00000366597806
                   -1 :              -0.00000039231218
                   +0 :              -0.00000337142326
                   +1 :               0.00000284318839
                   +2 :              -0.00000232204378
             11 vec=     9.954199     11.736232     -4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00005553381991
                2s
                   +0 :              -0.00032894531742
                3s
                   +0 :               0.00016365356923
                2p
                   -1 :              -0.00008693261778
                   +0 :               0.00015826734634
                   +1 :              -0.00006867999047
                3p
                   -1 :               0.00004520960270
                   +0 :              -0.00016864947930
                   +1 :               0.00001908028029
                3d
                   -2 :               0.00000246921683
                   -1 :              -0.00002399816801
                   +0 :               0.00001163777661
                   +1 :              -0.00001491740724
                   +2 :              -0.00000741369129
             12 vec=    -5.606126    -15.215042     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00001986983192
                2s
                   +0 :               0.00011868050581
                3s
                   +0 :              -0.00007096937353
                2p
                   -1 :              -0.00001206659826
                   +0 :              -0.00006868797801
                   +1 :              -0.00003921588312
                3p
                   -1 :               0.00002255974087
                   +0 :               0.00004406287331
                   +1 :               0.00001372818345
                3d
                   -2 :              -0.00000280141981
                   -1 :              -0.00000127059474
                   +0 :               0.00000173553766
                   +1 :               0.00000200778289
                   +2 :              -0.00000187148641
             13 vec=     2.174037     16.228111     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00000565965650
                2s
                   +0 :              -0.00003172097634
                3s
                   +0 :               0.00001488398176
                2p
                   -1 :              -0.00000029995086
                   +0 :              -0.00007363079384
                   +1 :              -0.00005332379763
                3p
                   -1 :              -0.00002825214140
                   +0 :               0.00004537254496
                   +1 :               0.00004458561902
                3d
                   -2 :               0.00000047998643
                   -1 :               0.00000649918581
                   +0 :               0.00000067188740
                   +1 :               0.00000525528580
                   +2 :               0.00000939285361
             14 vec=   -13.386289    -10.723163     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00000499490796
                2s
                   +0 :              -0.00004833183496
                3s
                   +0 :               0.00000789463190
                2p
                   -1 :              -0.00002130236087
                   +0 :              -0.00001892000376
                   +1 :               0.00005039597396
                3p
                   -1 :               0.00001442252117
                   +0 :               0.00001163636556
                   +1 :              -0.00001705214101
                3d
                   -2 :               0.00000337426886
                   -1 :               0.00000022663487
                   +0 :              -0.00000046897148
                   +1 :               0.00000056360331
                   +2 :              -0.00000457684490
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 18)  npairs=  14
              1 vec=    -0.209805      3.115418     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00236894121958
                2s
                   +0 :              -0.06024478981098
                3s
                   +0 :               0.00349957809612
                2p
                   -1 :              -0.02569785190386
                   +0 :               0.02368979887238
                   +1 :              -0.00171576571059
                3p
                   -1 :              -0.00097799158707
                   +0 :               0.00311780944488
                   +1 :               0.00452839327610
                3d
                   -2 :               0.00007080230876
                   -1 :               0.00317317575302
                   +0 :              -0.00150308396899
                   +1 :               0.00042988955695
                   +2 :               0.00108325562924
              2 vec=    -0.209805     -5.868340     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00009963442598
                2s
                   +0 :               0.00151550900446
                3s
                   +0 :              -0.00059447976086
                2p
                   -1 :              -0.00009431901349
                   +0 :               0.00143972956808
                   +1 :              -0.00082760960468
                3p
                   -1 :               0.00106365995559
                   +0 :              -0.00107483502611
                   +1 :               0.00076016668597
                3d
                   -2 :              -0.00001722816948
                   -1 :               0.00017574828334
                   +0 :               0.00031771958452
                   +1 :              -0.00004935718690
                   +2 :              -0.00010299048745
              3 vec=     7.570358     -1.376461     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00026697670563
                2s
                   +0 :               0.00275548671173
                3s
                   +0 :              -0.00098458023558
                2p
                   -1 :              -0.00260763712665
                   +0 :              -0.00338340135787
                   +1 :               0.00060385540878
                3p
                   -1 :               0.00103291363881
                   +0 :               0.00080488212322
                   +1 :              -0.00083265040939
                3d
                   -2 :              -0.00005980115640
                   -1 :              -0.00016843013140
                   +0 :               0.00010267500240
                   +1 :              -0.00013876225531
                   +2 :              -0.00007709396734
              4 vec=    -7.989968     -1.376461     -4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00011960441464
                2s
                   +0 :               0.00051916013931
                3s
                   +0 :              -0.00052470283864
                2p
                   -1 :               0.00090469306344
                   +0 :              -0.00109367545176
                   +1 :               0.00258468820202
                3p
                   -1 :              -0.00140841253515
                   +0 :               0.00006218802415
                   +1 :              -0.00128706862012
                3d
                   -2 :               0.00015551967886
                   -1 :               0.00001561461239
                   +0 :              -0.00002030652718
                   +1 :               0.00013565071265
                   +2 :              -0.00004712541211
              5 vec=     7.570358      7.607297     -4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00025876286525
                2s
                   +0 :               0.00145945987405
                3s
                   +0 :              -0.00081917674716
                2p
                   -1 :               0.00114155492719
                   +0 :               0.00053963041951
                   +1 :               0.00021741667616
                3p
                   -1 :              -0.00109435037290
                   +0 :              -0.00056210432245
                   +1 :              -0.00026993270812
                3d
                   -2 :              -0.00003507326577
                   -1 :              -0.00002733124528
                   +0 :               0.00005124479287
                   +1 :              -0.00001229517097
                   +2 :               0.00006788475697
              6 vec=    -7.989968      7.607297     -4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00002926856532
                2s
                   +0 :               0.00004979298679
                3s
                   +0 :              -0.00014306179207
                2p
                   -1 :              -0.00019000570526
                   +0 :              -0.00017558458090
                   +1 :               0.00019556774520
                3p
                   -1 :               0.00007825855893
                   +0 :               0.00006335806303
                   +1 :               0.00002407159192
                3d
                   -2 :               0.00001168531325
                   -1 :              -0.00000257444050
                   +0 :               0.00002019098939
                   +1 :               0.00000210289278
                   +2 :               0.00000028405545
              7 vec=    -0.209805     12.099176     -4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00002422786459
                2s
                   +0 :               0.00003693783583
                3s
                   +0 :              -0.00014618364337
                2p
                   -1 :               0.00029413648381
                   +0 :              -0.00006616015626
                   +1 :              -0.00029774842248
                3p
                   -1 :              -0.00029391464814
                   +0 :               0.00016282475895
                   +1 :               0.00011526382854
                3d
                   -2 :               0.00000471126849
                   -1 :               0.00001246743133
                   +0 :               0.00004172784467
                   +1 :               0.00003271458769
                   +2 :              -0.00000161248981
              8 vec=     7.570358    -10.360219     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00007299417270
                2s
                   +0 :              -0.00083016701801
                3s
                   +0 :               0.00018014854503
                2p
                   -1 :               0.00078466703351
                   +0 :              -0.00017286474957
                   +1 :              -0.00035306843639
                3p
                   -1 :              -0.00027559966094
                   +0 :               0.00012168889864
                   +1 :               0.00008995896425
                3d
                   -2 :               0.00003256023160
                   -1 :              -0.00002377497977
                   +0 :               0.00001770878262
                   +1 :              -0.00000416008191
                   +2 :              -0.00001249588222
              9 vec=    -7.989968    -10.360219     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00000696276335
                2s
                   +0 :              -0.00025049722959
                3s
                   +0 :              -0.00009632277993
                2p
                   -1 :               0.00048305467733
                   +0 :               0.00008992218263
                   +1 :               0.00026215929422
                3p
                   -1 :              -0.00012003172434
                   +0 :              -0.00010598229534
                   +1 :              -0.00008946027517
                3d
                   -2 :              -0.00001868181182
                   -1 :               0.00001595031370
                   +0 :               0.00001108413035
                   +1 :               0.00002682291800
                   +2 :               0.00000921293577
             10 vec=    -0.209805    -14.852098     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00004372802962
                2s
                   +0 :               0.00024117095760
                3s
                   +0 :              -0.00012567257864
                2p
                   -1 :              -0.00013414440743
                   +0 :               0.00001018170411
                   +1 :               0.00003573099579
                3p
                   -1 :               0.00012722187991
                   +0 :              -0.00002123084132
                   +1 :              -0.00004053928633
                3d
                   -2 :               0.00000368859274
                   -1 :              -0.00000236786448
                   +0 :               0.00000114958439
                   +1 :               0.00000127825581
                   +2 :               0.00001036101443
             11 vec=    15.350520      3.115418     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000884894497
                2s
                   +0 :               0.00005500350937
                3s
                   +0 :              -0.00006306660948
                2p
                   -1 :              -0.00008416895455
                   +0 :              -0.00004883308610
                   +1 :               0.00021368753370
                3p
                   -1 :               0.00007955279248
                   +0 :               0.00002340813332
                   +1 :              -0.00025955101558
                3d
                   -2 :               0.00000772686347
                   -1 :              -0.00000137703947
                   +0 :               0.00000723359940
                   +1 :               0.00000484684128
                   +2 :              -0.00002685270519
             12 vec=   -15.770130      3.115418     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00000127528180
                2s
                   +0 :              -0.00001999181089
                3s
                   +0 :              -0.00000681463410
                2p
                   -1 :               0.00011326754065
                   +0 :              -0.00004312941355
                   +1 :              -0.00007105067703
                3p
                   -1 :              -0.00010564938465
                   +0 :               0.00001520719655
                   +1 :               0.00010407667317
                3d
                   -2 :               0.00000421380424
                   -1 :              -0.00000359699641
                   +0 :               0.00000901618859
                   +1 :              -0.00000074101645
                   +2 :              -0.00000845981118
             13 vec=    15.350520     -5.868340     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00000912322035
                2s
                   +0 :              -0.00005913840671
                3s
                   +0 :               0.00003277323200
                2p
                   -1 :               0.00006083924450
                   +0 :               0.00004655082348
                   +1 :              -0.00001062283251
                3p
                   -1 :              -0.00004214004675
                   +0 :              -0.00005210149884
                   +1 :              -0.00002279452651
                3d
                   -2 :              -0.00000688012043
                   -1 :               0.00000799958361
                   +0 :               0.00000597484037
                   +1 :              -0.00000474577558
                   +2 :              -0.00000158611924
             14 vec=   -15.770130     -5.868340     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00000121618980
                2s
                   +0 :              -0.00002679086588
                3s
                   +0 :              -0.00000829384189
                2p
                   -1 :               0.00007698492447
                   +0 :              -0.00005563640112
                   +1 :               0.00000568326027
                3p
                   -1 :              -0.00004833929513
                   +0 :               0.00003102942423
                   +1 :               0.00002445813586
                3d
                   -2 :              -0.00000458545902
                   -1 :               0.00000140540848
                   +0 :              -0.00000228538119
                   +1 :               0.00000116315523
                   +2 :              -0.00000168855972
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 19)  npairs=  14
              1 vec=    -0.419091     -0.000299     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00037069943259
                2s
                   +0 :              -0.00059512507350
                3s
                   +0 :               0.00134501107200
                2p
                   -1 :              -0.00230029051595
                   +0 :               0.00396671515574
                   +1 :               0.00055867467067
                3p
                   -1 :               0.00125903733824
                   +0 :              -0.00374182815605
                   +1 :              -0.00040080032578
                3d
                   -2 :               0.00009378389474
                   -1 :               0.00014111494351
                   +0 :               0.00075988249077
                   +1 :              -0.00002467470430
                   +2 :              -0.00007067163635
              2 vec=     7.361071      4.491580     -8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00024658689751
                2s
                   +0 :               0.00103523252311
                3s
                   +0 :              -0.00084501746048
                2p
                   -1 :              -0.00024054014819
                   +0 :              -0.00124458433995
                   +1 :              -0.00158543835031
                3p
                   -1 :              -0.00002986426638
                   +0 :               0.00094171079405
                   +1 :               0.00094947571507
                3d
                   -2 :               0.00004507906361
                   -1 :              -0.00004217822982
                   +0 :              -0.00004854570874
                   +1 :              -0.00001628813835
                   +2 :               0.00001965635451
              3 vec=     7.361071     -4.492178     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00005272392139
                2s
                   +0 :               0.00012601761512
                3s
                   +0 :              -0.00014755429602
                2p
                   -1 :              -0.00000881326933
                   +0 :               0.00053727723699
                   +1 :              -0.00063835678454
                3p
                   -1 :               0.00010325709569
                   +0 :              -0.00040861797931
                   +1 :               0.00037880333712
                3d
                   -2 :               0.00000526820298
                   -1 :              -0.00003283441019
                   +0 :               0.00004282620579
                   +1 :              -0.00003334633581
                   +2 :               0.00004850988604
              4 vec=    -0.419091      8.983459     -8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00006195415889
                2s
                   +0 :              -0.00046584110989
                3s
                   +0 :               0.00026767822914
                2p
                   -1 :              -0.00082789726054
                   +0 :              -0.00014296433202
                   +1 :               0.00033670265134
                3p
                   -1 :               0.00035624216311
                   +0 :               0.00005322207187
                   +1 :              -0.00031809665768
                3d
                   -2 :               0.00000701881641
                   -1 :              -0.00001596801772
                   +0 :              -0.00002195081854
                   +1 :               0.00000588000522
                   +2 :              -0.00003623352129
              5 vec=    -0.419091     -8.984057     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00001417725275
                2s
                   +0 :              -0.00046774560790
                3s
                   +0 :              -0.00013308124896
                2p
                   -1 :               0.00020220717074
                   +0 :              -0.00049330138762
                   +1 :               0.00006177030944
                3p
                   -1 :               0.00024517433328
                   +0 :               0.00013387959950
                   +1 :              -0.00003482554118
                3d
                   -2 :               0.00000811516226
                   -1 :              -0.00001875561436
                   +0 :               0.00003903639497
                   +1 :               0.00001038043728
                   +2 :               0.00002742260382
              6 vec=    -8.199254      4.491580     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00001320685083
                2s
                   +0 :              -0.00059807386169
                3s
                   +0 :               0.00004516728952
                2p
                   -1 :              -0.00051417198041
                   +0 :               0.00061893752145
                   +1 :               0.00075921576207
                3p
                   -1 :               0.00027623252467
                   +0 :              -0.00060577472652
                   +1 :              -0.00026572172007
                3d
                   -2 :              -0.00000293507082
                   -1 :              -0.00000380286418
                   +0 :               0.00001264971833
                   +1 :               0.00000726908472
                   +2 :              -0.00003906143861
              7 vec=    -8.199254     -4.492178     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00003101355090
                2s
                   +0 :              -0.00031870044742
                3s
                   +0 :               0.00006351751371
                2p
                   -1 :               0.00067436963027
                   +0 :              -0.00035382240695
                   +1 :               0.00056655102694
                3p
                   -1 :              -0.00044643376347
                   +0 :               0.00041599979914
                   +1 :              -0.00023871626329
                3d
                   -2 :               0.00003118394966
                   -1 :              -0.00002239427770
                   +0 :              -0.00006275032755
                   +1 :              -0.00000660739358
                   +2 :               0.00001754991727
              8 vec=    -0.419091     -0.000299     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001783980388
                2s
                   +0 :               0.00013232064519
                3s
                   +0 :              -0.00002566177211
                2p
                   -1 :               0.00004887228897
                   +0 :               0.00011285893289
                   +1 :               0.00000414975015
                3p
                   -1 :              -0.00004462407773
                   +0 :              -0.00000841439755
                   +1 :              -0.00000499169441
                3d
                   -2 :               0.00001115001095
                   -1 :              -0.00000006725032
                   +0 :               0.00000553631585
                   +1 :               0.00000085680351
                   +2 :              -0.00000690770850
              9 vec=    15.141234     -0.000299     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000742247301
                2s
                   +0 :               0.00004685052764
                3s
                   +0 :              -0.00005450562901
                2p
                   -1 :              -0.00004486627825
                   +0 :               0.00007030988922
                   +1 :              -0.00006016161315
                3p
                   -1 :               0.00004306746298
                   +0 :              -0.00004995896582
                   +1 :               0.00000716824585
                3d
                   -2 :               0.00000297902961
                   -1 :              -0.00000430688705
                   +0 :               0.00000816486261
                   +1 :              -0.00000456560002
                   +2 :              -0.00000396660713
             10 vec=     7.361071     13.475338     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000437478633
                2s
                   +0 :              -0.00004709927107
                3s
                   +0 :               0.00000713110535
                2p
                   -1 :               0.00005043809386
                   +0 :               0.00002425033451
                   +1 :              -0.00008387133672
                3p
                   -1 :              -0.00007455067119
                   +0 :               0.00000812731326
                   +1 :               0.00004262271645
                3d
                   -2 :              -0.00000214533418
                   -1 :               0.00000565872604
                   +0 :               0.00000564217677
                   +1 :               0.00000406453861
                   +2 :               0.00000553992737
             11 vec=     7.361071    -13.475936     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00001431434384
                2s
                   +0 :              -0.00012987553232
                3s
                   +0 :               0.00002383969928
                2p
                   -1 :               0.00012466844189
                   +0 :               0.00001099318032
                   +1 :              -0.00008922513097
                3p
                   -1 :              -0.00003087385922
                   +0 :               0.00002636106521
                   +1 :               0.00004940046451
                3d
                   -2 :              -0.00000176346990
                   -1 :              -0.00000201470788
                   +0 :              -0.00000101283624
                   +1 :              -0.00000015708586
                   +2 :               0.00000450244785
             12 vec=    -8.199254     13.475338     -8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00001285752520
                2s
                   +0 :              -0.00009136898853
                3s
                   +0 :               0.00002191227819
                2p
                   -1 :              -0.00002335584732
                   +0 :               0.00002310489887
                   +1 :              -0.00000432623259
                3p
                   -1 :               0.00000710483050
                   +0 :               0.00002408654680
                   +1 :               0.00004057004015
                3d
                   -2 :               0.00000170778362
                   -1 :              -0.00000118998432
                   +0 :              -0.00000195855330
                   +1 :              -0.00000135896135
                   +2 :              -0.00000079013555
             13 vec=    -8.199254    -13.475936     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000161718654
                2s
                   +0 :              -0.00005169011846
                3s
                   +0 :              -0.00001948238778
                2p
                   -1 :               0.00003067345726
                   +0 :               0.00003676347341
                   +1 :               0.00001381422915
                3p
                   -1 :               0.00003464029660
                   +0 :               0.00000706414027
                   +1 :               0.00000973462917
                3d
                   -2 :              -0.00000133531487
                   -1 :              -0.00000908082818
                   +0 :              -0.00000326965675
                   +1 :               0.00000064466248
                   +2 :               0.00000647220167
             14 vec=   -15.979417     -0.000299     -8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00000320981445
                2s
                   +0 :              -0.00000768251395
                3s
                   +0 :              -0.00001211106459
                2p
                   -1 :              -0.00003669977149
                   +0 :               0.00004821460938
                   +1 :              -0.00000623233050
                3p
                   -1 :               0.00002190213082
                   +0 :              -0.00003555935550
                   +1 :               0.00003163025339
                3d
                   -2 :               0.00000304021037
                   -1 :              -0.00000269813666
                   +0 :               0.00000157663704
                   +1 :               0.00000171318409
                   +2 :               0.00000205601771
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 20)  npairs=  15
              1 vec=     2.592869      4.491580     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00033387889269
                2s
                   +0 :              -0.00330347963705
                3s
                   +0 :               0.00056357152417
                2p
                   -1 :              -0.00012794405695
                   +0 :               0.00244326708857
                   +1 :              -0.00255108236165
                3p
                   -1 :              -0.00006044754548
                   +0 :              -0.00052621703471
                   +1 :              -0.00012211950445
                3d
                   -2 :              -0.00003285959820
                   -1 :               0.00002307450691
                   +0 :              -0.00000034195454
                   +1 :               0.00018593894750
                   +2 :              -0.00010527546536
              2 vec=     2.592869     -4.492178     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00060718137929
                2s
                   +0 :              -0.00590006426205
                3s
                   +0 :               0.00094303461272
                2p
                   -1 :               0.00448237626171
                   +0 :               0.00754773062414
                   +1 :               0.00073302084980
                3p
                   -1 :              -0.00079997439634
                   +0 :              -0.00141626419892
                   +1 :              -0.00042907236154
                3d
                   -2 :              -0.00005569352132
                   -1 :              -0.00030631213228
                   +0 :              -0.00019723194567
                   +1 :               0.00001555196351
                   +2 :               0.00019028523989
              3 vec=    -5.187294     -0.000299     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00019419916383
                2s
                   +0 :              -0.00166853271188
                3s
                   +0 :              -0.00010474122484
                2p
                   -1 :              -0.00210912215560
                   +0 :               0.00058385581615
                   +1 :              -0.00066392446352
                3p
                   -1 :               0.00050959363388
                   +0 :               0.00103567227032
                   +1 :               0.00155615100084
                3d
                   -2 :               0.00004874497917
                   -1 :               0.00015393402960
                   +0 :              -0.00004974526175
                   +1 :              -0.00018712939136
                   +2 :               0.00000364407544
              4 vec=    10.373032     -0.000299     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00001293843529
                2s
                   +0 :              -0.00005656610044
                3s
                   +0 :              -0.00002974430938
                2p
                   -1 :              -0.00042318899672
                   +0 :              -0.00039590499627
                   +1 :              -0.00035364069639
                3p
                   -1 :               0.00053498234255
                   +0 :               0.00018577150907
                   +1 :               0.00022031345796
                3d
                   -2 :               0.00000760483853
                   -1 :              -0.00002519692079
                   +0 :              -0.00002848706865
                   +1 :              -0.00002435134394
                   +2 :               0.00003606010478
              5 vec=    -5.187294      8.983459     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000563207789
                2s
                   +0 :              -0.00011598038120
                3s
                   +0 :              -0.00006757311183
                2p
                   -1 :              -0.00031428730346
                   +0 :              -0.00040346704316
                   +1 :              -0.00013784996131
                3p
                   -1 :               0.00018192571007
                   +0 :               0.00036428308682
                   +1 :               0.00003930823868
                3d
                   -2 :              -0.00000697899195
                   -1 :              -0.00000709017575
                   +0 :              -0.00003143268877
                   +1 :              -0.00002119531009
                   +2 :              -0.00000598095017
              6 vec=    -5.187294     -8.984057     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00001769631503
                2s
                   +0 :              -0.00044831060604
                3s
                   +0 :               0.00005464671773
                2p
                   -1 :               0.00007183344574
                   +0 :              -0.00038768504109
                   +1 :               0.00041307533752
                3p
                   -1 :               0.00007828959502
                   +0 :               0.00014276886305
                   +1 :              -0.00014373251805
                3d
                   -2 :              -0.00002560285742
                   -1 :              -0.00000184388228
                   +0 :               0.00003437399516
                   +1 :               0.00002165487155
                   +2 :               0.00001148754890
              7 vec=    10.373032      8.983459     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00003145271553
                2s
                   +0 :               0.00018388943222
                3s
                   +0 :              -0.00012051623454
                2p
                   -1 :               0.00009312831828
                   +0 :              -0.00002139566358
                   +1 :               0.00021904324995
                3p
                   -1 :              -0.00015797887686
                   +0 :               0.00002454601829
                   +1 :              -0.00020447118152
                3d
                   -2 :              -0.00001644635191
                   -1 :               0.00001491835599
                   +0 :               0.00002542939824
                   +1 :               0.00000340382562
                   +2 :               0.00000898201846
              8 vec=     2.592869     13.475338     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001245939628
                2s
                   +0 :               0.00004064463655
                3s
                   +0 :              -0.00002796148673
                2p
                   -1 :               0.00005401525441
                   +0 :               0.00008923016828
                   +1 :              -0.00001615141702
                3p
                   -1 :              -0.00008120028477
                   +0 :              -0.00006812801992
                   +1 :              -0.00000883729963
                3d
                   -2 :              -0.00000002308771
                   -1 :              -0.00000616474284
                   +0 :               0.00000023296966
                   +1 :              -0.00000363755073
                   +2 :              -0.00000228741177
              9 vec=    10.373032     -8.984057     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000533802967
                2s
                   +0 :              -0.00003098421643
                3s
                   +0 :               0.00001049865998
                2p
                   -1 :              -0.00002290925527
                   +0 :              -0.00003223933681
                   +1 :              -0.00010958684564
                3p
                   -1 :               0.00002853377613
                   +0 :               0.00001619834644
                   +1 :               0.00007195455741
                3d
                   -2 :               0.00000036295816
                   -1 :              -0.00000008797267
                   +0 :               0.00000094691906
                   +1 :              -0.00000551869058
                   +2 :               0.00000056402533
             10 vec=     2.592869    -13.475936     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000321894804
                2s
                   +0 :               0.00001974765633
                3s
                   +0 :              -0.00003592074735
                2p
                   -1 :               0.00010013585590
                   +0 :              -0.00008112360579
                   +1 :              -0.00004182722007
                3p
                   -1 :              -0.00004004418305
                   +0 :               0.00005587527566
                   +1 :               0.00000575857464
                3d
                   -2 :               0.00000049647484
                   -1 :               0.00000027560738
                   +0 :              -0.00001091485701
                   +1 :               0.00000416590445
                   +2 :               0.00000339534771
             11 vec=   -12.967456      4.491580     -8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00001875774713
                2s
                   +0 :              -0.00019090261406
                3s
                   +0 :               0.00005946473708
                2p
                   -1 :              -0.00013162701288
                   +0 :               0.00015427484713
                   +1 :               0.00012148137112
                3p
                   -1 :               0.00011972762072
                   +0 :              -0.00011351620060
                   +1 :              -0.00000370794816
                3d
                   -2 :              -0.00002207487980
                   -1 :              -0.00000252024022
                   +0 :               0.00000720801531
                   +1 :               0.00002103821520
                   +2 :              -0.00000382508547
             12 vec=   -12.967456     -4.492178     -8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00000494052882
                2s
                   +0 :              -0.00008669496097
                3s
                   +0 :               0.00000602953890
                2p
                   -1 :              -0.00004967406180
                   +0 :               0.00001946042471
                   +1 :               0.00023596727609
                3p
                   -1 :               0.00004563900360
                   +0 :               0.00000156930351
                   +1 :              -0.00014759580460
                3d
                   -2 :              -0.00000236302497
                   -1 :              -0.00000225082520
                   +0 :               0.00000081447858
                   +1 :              -0.00000134606396
                   +2 :               0.00000587708767
             13 vec=     2.592869      4.491580     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000517045950
                2s
                   +0 :               0.00009786588342
                3s
                   +0 :               0.00000441343795
                2p
                   -1 :               0.00006599461867
                   +0 :               0.00009503030249
                   +1 :              -0.00011484710985
                3p
                   -1 :               0.00004884952008
                   +0 :               0.00000805013271
                   +1 :               0.00006294818419
                3d
                   -2 :              -0.00000239051094
                   -1 :               0.00001410584102
                   +0 :              -0.00000070092489
                   +1 :              -0.00000210172761
                   +2 :               0.00000206473787
             14 vec=     2.592869     -4.492178     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00003705607894
                2s
                   +0 :               0.00027848001320
                3s
                   +0 :              -0.00009659254298
                2p
                   -1 :               0.00006991558526
                   +0 :               0.00025670767676
                   +1 :              -0.00003361268385
                3p
                   -1 :              -0.00006893027285
                   +0 :              -0.00016631796534
                   +1 :               0.00004863076888
                3d
                   -2 :              -0.00000919178128
                   -1 :              -0.00000403168710
                   +0 :              -0.00000772873561
                   +1 :               0.00000764709881
                   +2 :              -0.00000301328178
             15 vec=    -5.187294     -0.000299     16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00002941962028
                2s
                   +0 :               0.00026019469708
                3s
                   +0 :              -0.00004693386137
                2p
                   -1 :              -0.00000956716605
                   +0 :               0.00019745063316
                   +1 :              -0.00010782127643
                3p
                   -1 :              -0.00005588925847
                   +0 :              -0.00004115047631
                   +1 :               0.00011009374490
                3d
                   -2 :              -0.00000033071021
                   -1 :              -0.00001286017862
                   +0 :               0.00000013265226
                   +1 :               0.00000717363878
                   +2 :              -0.00000586499077
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 21)  npairs=  15
              1 vec=     4.976970     -0.362794     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00034368947021
                2s
                   +0 :              -0.00268273289071
                3s
                   +0 :               0.00036719275999
                2p
                   -1 :              -0.00058846962047
                   +0 :               0.00355809284516
                   +1 :              -0.00131726265126
                3p
                   -1 :              -0.00123257381494
                   +0 :              -0.00057691390405
                   +1 :              -0.00055838352154
                3d
                   -2 :              -0.00016754555270
                   -1 :               0.00028310223393
                   +0 :              -0.00014218976151
                   +1 :               0.00021264334048
                   +2 :              -0.00005729445483
              2 vec=    -2.803193      4.129085     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00030969681433
                2s
                   +0 :              -0.00356136754013
                3s
                   +0 :               0.00019207896339
                2p
                   -1 :               0.00159889159676
                   +0 :               0.00364177918843
                   +1 :               0.00429413203773
                3p
                   -1 :              -0.00142464141776
                   +0 :              -0.00037744502840
                   +1 :              -0.00103174553426
                3d
                   -2 :              -0.00003901593791
                   -1 :               0.00010841426109
                   +0 :              -0.00002560666175
                   +1 :              -0.00006666014614
                   +2 :              -0.00008810793506
              3 vec=    -2.803193     -4.854673     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00031310403738
                2s
                   +0 :              -0.00298128875323
                3s
                   +0 :               0.00010296209438
                2p
                   -1 :               0.00269553556606
                   +0 :               0.00143745029674
                   +1 :              -0.00043074708336
                3p
                   -1 :              -0.00030448386160
                   +0 :               0.00100315202956
                   +1 :               0.00021900417284
                3d
                   -2 :               0.00005707918969
                   -1 :              -0.00014570209471
                   +0 :              -0.00012661236979
                   +1 :               0.00014300716328
                   +2 :               0.00005187513675
              4 vec=     4.976970      8.620964     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00011462997536
                2s
                   +0 :              -0.00098192130520
                3s
                   +0 :               0.00045918430169
                2p
                   -1 :              -0.00056709579892
                   +0 :              -0.00019609127035
                   +1 :              -0.00029775096108
                3p
                   -1 :               0.00028555441514
                   +0 :              -0.00004781272256
                   +1 :               0.00045281269281
                3d
                   -2 :               0.00004967316651
                   -1 :              -0.00004332675700
                   +0 :              -0.00000176262755
                   +1 :              -0.00006593393421
                   +2 :               0.00002195049314
              5 vec=     4.976970     -9.346552     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00005253179222
                2s
                   +0 :              -0.00063726382289
                3s
                   +0 :               0.00008752505863
                2p
                   -1 :               0.00021112859965
                   +0 :               0.00002530706197
                   +1 :              -0.00022884657214
                3p
                   -1 :               0.00004118300090
                   +0 :              -0.00007734039290
                   +1 :              -0.00003348902034
                3d
                   -2 :               0.00001519125956
                   -1 :               0.00001989289158
                   +0 :               0.00001316932084
                   +1 :               0.00001653475497
                   +2 :               0.00000095321039
              6 vec=   -10.583355     -0.362794     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00001157404172
                2s
                   +0 :              -0.00021251849011
                3s
                   +0 :               0.00000910396000
                2p
                   -1 :               0.00024047788865
                   +0 :              -0.00024200885709
                   +1 :               0.00004924899413
                3p
                   -1 :              -0.00014649995225
                   +0 :               0.00020391089096
                   +1 :               0.00002942518842
                3d
                   -2 :               0.00001867382885
                   -1 :              -0.00000715022971
                   +0 :              -0.00004164228601
                   +1 :               0.00000602203947
                   +2 :               0.00001228489282
              7 vec=    12.757133      4.129085     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00003572653259
                2s
                   +0 :               0.00021892420928
                3s
                   +0 :              -0.00015823280843
                2p
                   -1 :               0.00023344276478
                   +0 :              -0.00013180367097
                   +1 :               0.00017310840847
                3p
                   -1 :              -0.00016715256627
                   +0 :               0.00013969027103
                   +1 :              -0.00022526304647
                3d
                   -2 :               0.00000818923694
                   -1 :               0.00000327329501
                   +0 :              -0.00000386144705
                   +1 :               0.00001642314693
                   +2 :              -0.00000698287307
              8 vec=    -2.803193     13.112843     -8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00000635888845
                2s
                   +0 :              -0.00009316759131
                3s
                   +0 :               0.00001100336553
                2p
                   -1 :              -0.00022568110414
                   +0 :               0.00009204870763
                   +1 :               0.00006009898588
                3p
                   -1 :               0.00011272891367
                   +0 :              -0.00004871266671
                   +1 :              -0.00002229003995
                3d
                   -2 :              -0.00000049891247
                   -1 :               0.00000133162217
                   +0 :               0.00001032886538
                   +1 :               0.00000476737929
                   +2 :              -0.00000469631281
              9 vec=    12.757133     -4.854673     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00000435060868
                2s
                   +0 :              -0.00002923407213
                3s
                   +0 :               0.00000816164163
                2p
                   -1 :               0.00010422800450
                   +0 :              -0.00002612425670
                   +1 :               0.00001084478436
                3p
                   -1 :              -0.00010120684468
                   +0 :               0.00002528600886
                   +1 :              -0.00001708097826
                3d
                   -2 :              -0.00000381889601
                   -1 :              -0.00000360451732
                   +0 :              -0.00000207011521
                   +1 :               0.00000094632511
                   +2 :              -0.00000466591061
             10 vec=   -10.583355      8.620964     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00002572356244
                2s
                   +0 :               0.00014845712335
                3s
                   +0 :              -0.00010113920531
                2p
                   -1 :              -0.00002596313718
                   +0 :               0.00007071878936
                   +1 :               0.00000099566356
                3p
                   -1 :              -0.00006139782085
                   +0 :              -0.00005973299745
                   +1 :               0.00000767024160
                3d
                   -2 :               0.00000518591735
                   -1 :              -0.00000937610717
                   +0 :              -0.00000321071052
                   +1 :               0.00000900210036
                   +2 :               0.00000522247465
             11 vec=    -2.803193    -13.838431     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000172917657
                2s
                   +0 :              -0.00001223411928
                3s
                   +0 :              -0.00002432636963
                2p
                   -1 :               0.00005921326728
                   +0 :              -0.00013588881704
                   +1 :              -0.00000688543943
                3p
                   -1 :               0.00001058169138
                   +0 :               0.00012309404161
                   +1 :               0.00003006691230
                3d
                   -2 :              -0.00000319592710
                   -1 :              -0.00000402018173
                   +0 :              -0.00000726136461
                   +1 :              -0.00000595316981
                   +2 :              -0.00000040808288
             12 vec=   -10.583355     -9.346552     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000809324218
                2s
                   +0 :              -0.00006820043370
                3s
                   +0 :              -0.00000717174309
                2p
                   -1 :               0.00004566892933
                   +0 :              -0.00005212391367
                   +1 :               0.00007356927971
                3p
                   -1 :              -0.00000158061680
                   +0 :               0.00005414874644
                   +1 :              -0.00003146762879
                3d
                   -2 :              -0.00000279162180
                   -1 :               0.00000076293353
                   +0 :               0.00000093382332
                   +1 :              -0.00000232719870
                   +2 :               0.00000496078377
             13 vec=     4.976970     -0.362794     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00005371331565
                2s
                   +0 :               0.00042486407671
                3s
                   +0 :              -0.00013344678593
                2p
                   -1 :               0.00001134952236
                   +0 :               0.00029726470853
                   +1 :               0.00019183576636
                3p
                   -1 :              -0.00006473462295
                   +0 :              -0.00014045039191
                   +1 :              -0.00014382229065
                3d
                   -2 :              -0.00000158274714
                   -1 :              -0.00001099967263
                   +0 :              -0.00000190896158
                   +1 :              -0.00000701801827
                   +2 :               0.00000024411571
             14 vec=    -2.803193      4.129085     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00001870307094
                2s
                   +0 :               0.00017604435998
                3s
                   +0 :              -0.00004612722114
                2p
                   -1 :               0.00013833225409
                   +0 :               0.00018295413466
                   +1 :               0.00007940699679
                3p
                   -1 :              -0.00007370902996
                   +0 :              -0.00006380363858
                   +1 :              -0.00002242595540
                3d
                   -2 :               0.00000776772699
                   -1 :              -0.00000395416407
                   +0 :              -0.00000161317796
                   +1 :               0.00000574611169
                   +2 :               0.00000254319709
             15 vec=    -2.803193     -4.854673     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00001383191055
                2s
                   +0 :               0.00013443117909
                3s
                   +0 :               0.00000528898887
                2p
                   -1 :              -0.00012976619337
                   +0 :               0.00017845851122
                   +1 :               0.00004673255476
                3p
                   -1 :               0.00012119030710
                   +0 :              -0.00005834681004
                   +1 :              -0.00008724181974
                3d
                   -2 :              -0.00000565960846
                   -1 :               0.00000778544240
                   +0 :               0.00000863351320
                   +1 :              -0.00001217791414
                   +2 :               0.00000994386766
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 22)  npairs=  14
              1 vec=     2.593388     -1.739555      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00202642942696
                2s
                   +0 :               0.05824204232121
                3s
                   +0 :              -0.00268542651494
                2p
                   -1 :              -0.01135700568611
                   +0 :               0.02329216087947
                   +1 :               0.02056983547195
                3p
                   -1 :              -0.00419548004595
                   +0 :               0.00318488291925
                   +1 :               0.00083622872874
                3d
                   -2 :              -0.00111017166847
                   -1 :              -0.00095830490882
                   +0 :               0.00148079053576
                   +1 :               0.00304073163404
                   +2 :               0.00049395049744
              2 vec=    -5.186775      2.752324      4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00008305396999
                2s
                   +0 :              -0.00168705006104
                3s
                   +0 :               0.00054602657001
                2p
                   -1 :               0.00073194058553
                   +0 :               0.00083620543532
                   +1 :               0.00068475122870
                3p
                   -1 :              -0.00029183717377
                   +0 :              -0.00085098752261
                   +1 :              -0.00138765998855
                3d
                   -2 :               0.00004327496809
                   -1 :              -0.00011904339445
                   +0 :              -0.00032637811074
                   +1 :               0.00014826636033
                   +2 :              -0.00002216176703
              3 vec=     2.593388      7.244203      4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00011486847038
                2s
                   +0 :              -0.00180583988783
                3s
                   +0 :               0.00052716362229
                2p
                   -1 :              -0.00103063669479
                   +0 :              -0.00346904131429
                   +1 :               0.00190184850708
                3p
                   -1 :               0.00050512777535
                   +0 :               0.00145053405222
                   +1 :              -0.00122195907492
                3d
                   -2 :               0.00016476493879
                   -1 :              -0.00007643393290
                   +0 :              -0.00012979994604
                   +1 :              -0.00009774919351
                   +2 :              -0.00002040217200
              4 vec=    -5.186775     -6.231434      4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00013138571375
                2s
                   +0 :              -0.00086496900469
                3s
                   +0 :               0.00054359175968
                2p
                   -1 :              -0.00166954842060
                   +0 :              -0.00112615907127
                   +1 :              -0.00163946800720
                3p
                   -1 :               0.00044978999430
                   +0 :               0.00004091269660
                   +1 :               0.00164846292325
                3d
                   -2 :              -0.00001529998338
                   -1 :               0.00006731625078
                   +0 :               0.00005047746361
                   +1 :               0.00002621980911
                   +2 :              -0.00004814589335
              5 vec=    10.373550      2.752324      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00016929690238
                2s
                   +0 :              -0.00088403558365
                3s
                   +0 :               0.00063077651365
                2p
                   -1 :               0.00038864372852
                   +0 :               0.00008900433246
                   +1 :              -0.00053481265334
                3p
                   -1 :              -0.00032951475552
                   +0 :              -0.00022172655539
                   +1 :               0.00053362392297
                3d
                   -2 :              -0.00001830532950
                   -1 :              -0.00000394009610
                   +0 :              -0.00006270310724
                   +1 :              -0.00002772762983
                   +2 :               0.00007502661649
              6 vec=     2.593388    -10.723313      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00004389358239
                2s
                   +0 :               0.00044183533307
                3s
                   +0 :              -0.00011964394233
                2p
                   -1 :              -0.00042238381148
                   +0 :              -0.00004865105571
                   +1 :              -0.00015851199134
                3p
                   -1 :               0.00018647137916
                   +0 :               0.00002329948535
                   +1 :               0.00006900864478
                3d
                   -2 :               0.00000565336970
                   -1 :              -0.00000971739209
                   +0 :              -0.00000673041239
                   +1 :              -0.00002127901618
                   +2 :               0.00000295772587
              7 vec=    10.373550     -6.231434      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00002001942132
                2s
                   +0 :              -0.00000178968658
                3s
                   +0 :               0.00013094346818
                2p
                   -1 :               0.00015719135840
                   +0 :               0.00012065108024
                   +1 :              -0.00010037244603
                3p
                   -1 :              -0.00010699888107
                   +0 :               0.00000009706838
                   +1 :               0.00012579768443
                3d
                   -2 :               0.00000513768448
                   -1 :               0.00001966574344
                   +0 :              -0.00003494125628
                   +1 :               0.00001568501488
                   +2 :              -0.00002434844448
              8 vec=    -5.186775     11.736082      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00015797695589
                2s
                   +0 :               0.00143032572543
                3s
                   +0 :              -0.00037713817259
                2p
                   -1 :               0.00074512554033
                   +0 :               0.00002578939385
                   +1 :              -0.00068399759190
                3p
                   -1 :              -0.00027456393776
                   +0 :               0.00000682078629
                   +1 :               0.00033650719029
                3d
                   -2 :              -0.00000814595904
                   -1 :               0.00001107124555
                   +0 :              -0.00002048548683
                   +1 :              -0.00002324257164
                   +2 :              -0.00004093319079
              9 vec=   -12.966938     -1.739555      4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00004870411262
                2s
                   +0 :              -0.00006626070707
                3s
                   +0 :               0.00020830741053
                2p
                   -1 :              -0.00003966305665
                   +0 :               0.00002301706322
                   +1 :              -0.00037993661783
                3p
                   -1 :               0.00003822647707
                   +0 :              -0.00003827899292
                   +1 :              -0.00000350910119
                3d
                   -2 :              -0.00000741450669
                   -1 :               0.00001035377146
                   +0 :              -0.00000059512224
                   +1 :               0.00002085012718
                   +2 :               0.00001647213604
             10 vec=   -12.966938      7.244203      4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00002071210717
                2s
                   +0 :              -0.00009387572557
                3s
                   +0 :               0.00007069777382
                2p
                   -1 :              -0.00007410933536
                   +0 :               0.00004655861004
                   +1 :               0.00001196791586
                3p
                   -1 :               0.00009503629923
                   +0 :              -0.00006696171770
                   +1 :              -0.00001337980214
                3d
                   -2 :              -0.00000515999414
                   -1 :               0.00000042771431
                   +0 :              -0.00000558588487
                   +1 :               0.00000146984373
                   +2 :               0.00000005366730
             11 vec=    10.373550     11.736082      4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00002276094549
                2s
                   +0 :               0.00017306675446
                3s
                   +0 :              -0.00004127620320
                2p
                   -1 :              -0.00009539304179
                   +0 :              -0.00007230564753
                   +1 :               0.00002920812650
                3p
                   -1 :               0.00012777668402
                   +0 :               0.00005804788898
                   +1 :               0.00001492451897
                3d
                   -2 :              -0.00000023013194
                   -1 :               0.00001582018546
                   +0 :              -0.00000399344737
                   +1 :               0.00001499183416
                   +2 :              -0.00002299482218
             12 vec=    -5.186775    -15.215192      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00001279488346
                2s
                   +0 :              -0.00007302205593
                3s
                   +0 :               0.00004979203330
                2p
                   -1 :               0.00010371055063
                   +0 :              -0.00004695589125
                   +1 :              -0.00001351849023
                3p
                   -1 :              -0.00011995030388
                   +0 :               0.00002757570502
                   +1 :              -0.00000626976195
                3d
                   -2 :               0.00000418496442
                   -1 :              -0.00000108216044
                   +0 :              -0.00000534912653
                   +1 :              -0.00000096142903
                   +2 :              -0.00000541985635
             13 vec=     2.593388     16.227961      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00000947262219
                2s
                   +0 :               0.00007001280548
                3s
                   +0 :              -0.00002704722354
                2p
                   -1 :               0.00001684783046
                   +0 :               0.00010971025190
                   +1 :              -0.00013493364571
                3p
                   -1 :               0.00002636875810
                   +0 :              -0.00007338685076
                   +1 :               0.00007956372678
                3d
                   -2 :               0.00000604607631
                   -1 :              -0.00000523472393
                   +0 :              -0.00000750396979
                   +1 :               0.00000746749186
                   +2 :               0.00000092126162
             14 vec=   -12.966938    -10.723313      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000447759230
                2s
                   +0 :               0.00003322541815
                3s
                   +0 :              -0.00000783845324
                2p
                   -1 :              -0.00003666387659
                   +0 :              -0.00006736748870
                   +1 :              -0.00005637242201
                3p
                   -1 :               0.00000087592554
                   +0 :               0.00003603175995
                   +1 :               0.00002766083125
                3d
                   -2 :              -0.00000125296986
                   -1 :               0.00000190141381
                   +0 :               0.00000058859081
                   +1 :              -0.00000112191730
                   +2 :               0.00000108295174
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 23)  npairs=  14
              1 vec=    -0.419610      2.752324      4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00216420870876
                2s
                   +0 :               0.07593397834969
                3s
                   +0 :              -0.00405765128685
                2p
                   -1 :               0.04254157199732
                   +0 :               0.04612826238898
                   +1 :              -0.00865545916306
                3p
                   -1 :              -0.00618170372022
                   +0 :              -0.00577341400258
                   +1 :               0.00130976079302
                3d
                   -2 :              -0.00081863626932
                   -1 :               0.00128899391886
                   +0 :               0.00097157939511
                   +1 :              -0.00032127914276
                   +2 :              -0.00168346577615
              2 vec=    -0.419610     -6.231434      4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00029560798182
                2s
                   +0 :               0.00257216158106
                3s
                   +0 :              -0.00064080689976
                2p
                   -1 :              -0.00196955665708
                   +0 :              -0.00060059462410
                   +1 :               0.00182504077781
                3p
                   -1 :               0.00016494463620
                   +0 :               0.00114780338746
                   +1 :              -0.00166806456828
                3d
                   -2 :              -0.00003569385074
                   -1 :               0.00011431820844
                   +0 :               0.00016242190698
                   +1 :              -0.00002257791330
                   +2 :              -0.00006808192776
              3 vec=     7.360553     -1.739555      4.091257   |vec|=    8.598963
                1s
                   +0 :              -0.00026947139076
                2s
                   +0 :               0.00136329709759
                3s
                   +0 :              -0.00092320057221
                2p
                   -1 :               0.00131037409364
                   +0 :              -0.00293657774381
                   +1 :               0.00378160943536
                3p
                   -1 :               0.00044506898243
                   +0 :               0.00005347103468
                   +1 :              -0.00201909486113
                3d
                   -2 :               0.00015554390630
                   -1 :               0.00011702696463
                   +0 :               0.00001619560258
                   +1 :              -0.00024650353135
                   +2 :               0.00010019692645
              4 vec=    -8.199773     -1.739555      4.091257   |vec|=    9.327417
                1s
                   +0 :              -0.00030844065619
                2s
                   +0 :               0.00217378970812
                3s
                   +0 :              -0.00079790131727
                2p
                   -1 :              -0.00050732987902
                   +0 :               0.00001495883570
                   +1 :              -0.00324562059183
                3p
                   -1 :               0.00069285398852
                   +0 :              -0.00098353885096
                   +1 :               0.00149054607296
                3d
                   -2 :              -0.00008760545148
                   -1 :               0.00000217380308
                   +0 :               0.00000719908883
                   +1 :               0.00015757743874
                   +2 :               0.00003664683576
              5 vec=     7.360553      7.244203      4.091257   |vec|=   11.108312
                1s
                   +0 :               0.00021731081719
                2s
                   +0 :              -0.00113536863503
                3s
                   +0 :               0.00060562362933
                2p
                   -1 :               0.00154069824977
                   +0 :               0.00099060928051
                   +1 :              -0.00014789829196
                3p
                   -1 :              -0.00125444713622
                   +0 :              -0.00108640431970
                   +1 :               0.00007338187562
                3d
                   -2 :              -0.00013179687327
                   -1 :              -0.00001821336812
                   +0 :               0.00007206089835
                   +1 :               0.00000013131498
                   +2 :              -0.00000349857643
              6 vec=    -8.199773      7.244203      4.091257   |vec|=   11.681316
                1s
                   +0 :              -0.00010336749764
                2s
                   +0 :               0.00061586297817
                3s
                   +0 :              -0.00021795192611
                2p
                   -1 :              -0.00010770979419
                   +0 :               0.00017149229833
                   +1 :              -0.00062286118322
                3p
                   -1 :              -0.00002854308217
                   +0 :              -0.00025152273698
                   +1 :               0.00062657645952
                3d
                   -2 :               0.00001377161844
                   -1 :               0.00001792983792
                   +0 :               0.00000524145231
                   +1 :              -0.00003080407185
                   +2 :               0.00000788917775
              7 vec=    -0.419610     11.736082      4.091257   |vec|=   12.435838
                1s
                   +0 :              -0.00002911191867
                2s
                   +0 :               0.00030790351623
                3s
                   +0 :              -0.00013624694381
                2p
                   -1 :               0.00033082787405
                   +0 :               0.00041341961692
                   +1 :               0.00060851277839
                3p
                   -1 :              -0.00053695988443
                   +0 :              -0.00007257098566
                   +1 :              -0.00035406652366
                3d
                   -2 :               0.00000319799333
                   -1 :               0.00002112442404
                   +0 :               0.00003931123074
                   +1 :               0.00000147262954
                   +2 :               0.00003255946257
              8 vec=     7.360553    -10.723313      4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00003552374723
                2s
                   +0 :               0.00047241732972
                3s
                   +0 :               0.00001245446994
                2p
                   -1 :              -0.00025979482808
                   +0 :              -0.00015324739580
                   +1 :              -0.00008082360799
                3p
                   -1 :              -0.00008185346520
                   +0 :               0.00012911760998
                   +1 :               0.00012689077643
                3d
                   -2 :              -0.00002524996654
                   -1 :              -0.00000856544565
                   +0 :               0.00000143699938
                   +1 :               0.00003577518065
                   +2 :              -0.00000730351812
              9 vec=    -8.199773    -10.723313      4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00000564871195
                2s
                   +0 :               0.00010162603528
                3s
                   +0 :               0.00000753132982
                2p
                   -1 :              -0.00007827223498
                   +0 :              -0.00009728524866
                   +1 :               0.00009017921298
                3p
                   -1 :              -0.00000940531290
                   +0 :               0.00004213187027
                   +1 :              -0.00008956539560
                3d
                   -2 :               0.00000412448832
                   -1 :              -0.00002081619984
                   +0 :              -0.00000400533918
                   +1 :              -0.00000111926483
                   +2 :               0.00001793365749
             10 vec=    -0.419610    -15.215192      4.091257   |vec|=   15.761235
                1s
                   +0 :               0.00000903687907
                2s
                   +0 :              -0.00004146869586
                3s
                   +0 :               0.00002784123714
                2p
                   -1 :               0.00004335161612
                   +0 :              -0.00000813084781
                   +1 :               0.00007856895163
                3p
                   -1 :              -0.00003112574337
                   +0 :              -0.00000003186546
                   +1 :              -0.00008018750854
                3d
                   -2 :               0.00000501376456
                   -1 :               0.00000811053274
                   +0 :              -0.00000074588599
                   +1 :              -0.00000297028624
                   +2 :              -0.00000055709155
             11 vec=    15.140715      2.752324      4.091257   |vec|=   15.923408
                1s
                   +0 :              -0.00003621198492
                2s
                   +0 :               0.00024424603705
                3s
                   +0 :              -0.00009951087813
                2p
                   -1 :               0.00004967454627
                   +0 :               0.00012722295672
                   +1 :               0.00003420758436
                3p
                   -1 :              -0.00000730250746
                   +0 :              -0.00011793281965
                   +1 :               0.00000565034789
                3d
                   -2 :               0.00000670975791
                   -1 :              -0.00000172703174
                   +0 :              -0.00001346077734
                   +1 :              -0.00002011922995
                   +2 :               0.00000182339060
             12 vec=   -15.979935      2.752324      4.091257   |vec|=   16.723397
                1s
                   +0 :               0.00000056196336
                2s
                   +0 :               0.00000688101658
                3s
                   +0 :               0.00001692879876
                2p
                   -1 :              -0.00000285519795
                   +0 :              -0.00003584749701
                   +1 :              -0.00004719059220
                3p
                   -1 :               0.00002394644357
                   +0 :               0.00000807621314
                   +1 :               0.00002132072361
                3d
                   -2 :              -0.00000030924419
                   -1 :               0.00000099552263
                   +0 :               0.00000100306745
                   +1 :               0.00000004316657
                   +2 :               0.00000027518243
             13 vec=    15.140715     -6.231434      4.091257   |vec|=   16.876327
                1s
                   +0 :              -0.00000772634578
                2s
                   +0 :               0.00006805458203
                3s
                   +0 :              -0.00000053135953
                2p
                   -1 :              -0.00002097784262
                   +0 :              -0.00005796914868
                   +1 :              -0.00003284255541
                3p
                   -1 :              -0.00001975724958
                   +0 :               0.00003995293732
                   +1 :               0.00005679031195
                3d
                   -2 :              -0.00000669943232
                   -1 :               0.00000064362632
                   +0 :              -0.00000096834949
                   +1 :               0.00000579887513
                   +2 :               0.00000250467883
             14 vec=   -15.979935     -6.231434      4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00000438860780
                2s
                   +0 :              -0.00001485083548
                3s
                   +0 :               0.00001826193763
                2p
                   -1 :              -0.00005999486126
                   +0 :              -0.00003530715552
                   +1 :               0.00000118000093
                3p
                   -1 :               0.00003162771932
                   +0 :               0.00002458788239
                   +1 :              -0.00000280656718
                3d
                   -2 :               0.00000158765833
                   -1 :              -0.00000034225572
                   +0 :              -0.00000017353989
                   +1 :              -0.00000137268584
                   +2 :              -0.00000254302291
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 24)  npairs=  14
              1 vec=    -2.803193     -1.376162      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00191780913781
                2s
                   +0 :               0.04938677655207
                3s
                   +0 :              -0.00225401443588
                2p
                   -1 :              -0.00760152029013
                   +0 :               0.02379335619954
                   +1 :              -0.02085388714479
                3p
                   -1 :              -0.00161877640372
                   +0 :               0.00048864623964
                   +1 :              -0.00000416840069
                3d
                   -2 :               0.00084786799138
                   -1 :              -0.00068718975102
                   +0 :               0.00094762571839
                   +1 :              -0.00303652749554
                   +2 :               0.00129016583327
              2 vec=     4.976970      3.115717      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00239569237277
                2s
                   +0 :               0.01718084265504
                3s
                   +0 :              -0.00798202928926
                2p
                   -1 :               0.00920735768371
                   +0 :               0.00537216737252
                   +1 :               0.01200256359424
                3p
                   -1 :              -0.00625170874877
                   +0 :              -0.00433246699370
                   +1 :              -0.00851809248798
                3d
                   -2 :              -0.00070958801262
                   -1 :              -0.00023221614422
                   +0 :               0.00040493415259
                   +1 :              -0.00045827835431
                   +2 :              -0.00033457193682
              3 vec=     4.976970     -5.868041      4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00018432869457
                2s
                   +0 :               0.00105851560978
                3s
                   +0 :              -0.00030281808223
                2p
                   -1 :              -0.00550335228069
                   +0 :              -0.00273631280563
                   +1 :               0.00132600902310
                3p
                   -1 :               0.00206654274905
                   +0 :               0.00046917750433
                   +1 :              -0.00039119356712
                3d
                   -2 :              -0.00003441213260
                   -1 :               0.00011693903105
                   +0 :              -0.00004654927230
                   +1 :              -0.00005122709107
                   +2 :              -0.00000381509334
              4 vec=    -2.803193      7.607596      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00009559095956
                2s
                   +0 :               0.00064624613994
                3s
                   +0 :               0.00002396991303
                2p
                   -1 :              -0.00075487641906
                   +0 :              -0.00091055090282
                   +1 :              -0.00082896029846
                3p
                   -1 :               0.00179962131377
                   +0 :               0.00004461748899
                   +1 :               0.00003374462418
                3d
                   -2 :              -0.00023515383368
                   -1 :              -0.00010271958333
                   +0 :              -0.00011541770131
                   +1 :               0.00001082354511
                   +2 :              -0.00018404740891
              5 vec=    -2.803193    -10.359920      4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00005518644023
                2s
                   +0 :               0.00059639359306
                3s
                   +0 :              -0.00024685283157
                2p
                   -1 :              -0.00059433338983
                   +0 :              -0.00022672559026
                   +1 :              -0.00055982377646
                3p
                   -1 :               0.00032981049805
                   +0 :               0.00019372081968
                   +1 :               0.00048445447142
                3d
                   -2 :              -0.00003380629899
                   -1 :              -0.00002959030758
                   +0 :               0.00002279729806
                   +1 :               0.00000884860736
                   +2 :               0.00002569197959
              6 vec=   -10.583355      3.115717      4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00002392887133
                2s
                   +0 :              -0.00006643248232
                3s
                   +0 :               0.00006635467265
                2p
                   -1 :               0.00015984399320
                   +0 :              -0.00010493613040
                   +1 :              -0.00002994177794
                3p
                   -1 :              -0.00015337850314
                   +0 :              -0.00003915383067
                   +1 :               0.00005024182321
                3d
                   -2 :              -0.00000429728331
                   -1 :              -0.00002619047946
                   +0 :               0.00000098985266
                   +1 :               0.00001506299444
                   +2 :              -0.00005687000757
              7 vec=   -10.583355     -5.868041      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00000840699987
                2s
                   +0 :               0.00012458163772
                3s
                   +0 :              -0.00000613879838
                2p
                   -1 :               0.00005807356497
                   +0 :               0.00026866285944
                   +1 :               0.00004064967715
                3p
                   -1 :              -0.00015291838620
                   +0 :              -0.00014681953538
                   +1 :              -0.00004761854810
                3d
                   -2 :              -0.00001536693966
                   -1 :               0.00002678360283
                   +0 :              -0.00000024684413
                   +1 :              -0.00000407253268
                   +2 :              -0.00002244477680
              8 vec=    12.757133     -1.376162      4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00002341081975
                2s
                   +0 :               0.00008870115922
                3s
                   +0 :               0.00018585300928
                2p
                   -1 :              -0.00004026293868
                   +0 :               0.00011904865243
                   +1 :               0.00015114053093
                3p
                   -1 :               0.00000201821451
                   +0 :              -0.00006100739324
                   +1 :               0.00027416549625
                3d
                   -2 :               0.00000496143999
                   -1 :              -0.00000973858645
                   +0 :              -0.00003104828929
                   +1 :              -0.00002146876353
                   +2 :               0.00003754610306
              9 vec=     4.976970     12.099475      4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00002541356163
                2s
                   +0 :               0.00041047541071
                3s
                   +0 :               0.00002751525724
                2p
                   -1 :               0.00017937864064
                   +0 :              -0.00003116590046
                   +1 :              -0.00001409841612
                3p
                   -1 :               0.00005871432489
                   +0 :               0.00001892575578
                   +1 :               0.00008736167169
                3d
                   -2 :               0.00002145206629
                   -1 :               0.00000763124445
                   +0 :              -0.00001511903286
                   +1 :              -0.00000009968873
                   +2 :              -0.00000466605755
             10 vec=    12.757133      7.607596      4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00002691590433
                2s
                   +0 :               0.00019451601139
                3s
                   +0 :              -0.00001928939297
                2p
                   -1 :               0.00000509823670
                   +0 :               0.00016264358018
                   +1 :               0.00022206909985
                3p
                   -1 :               0.00004625759897
                   +0 :              -0.00014729204672
                   +1 :              -0.00011426867192
                3d
                   -2 :               0.00001042740231
                   -1 :              -0.00001190731943
                   +0 :              -0.00001748631244
                   +1 :              -0.00000083386097
                   +2 :               0.00000651511326
             11 vec=     4.976970    -14.851799      4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000197920725
                2s
                   +0 :               0.00000799631382
                3s
                   +0 :               0.00003174966103
                2p
                   -1 :              -0.00010374586415
                   +0 :               0.00005910176832
                   +1 :               0.00002298602577
                3p
                   -1 :               0.00002729314044
                   +0 :              -0.00003872957183
                   +1 :              -0.00002572465161
                3d
                   -2 :               0.00000597700449
                   -1 :              -0.00000436118621
                   +0 :               0.00000001629721
                   +1 :              -0.00000219752401
                   +2 :               0.00000607673634
             12 vec=   -10.583355     12.099475      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00001295909436
                2s
                   +0 :              -0.00007967962644
                3s
                   +0 :               0.00004319917823
                2p
                   -1 :              -0.00009436463308
                   +0 :               0.00006023363437
                   +1 :               0.00001598260157
                3p
                   -1 :               0.00004654521437
                   +0 :              -0.00006002407233
                   +1 :              -0.00001068962544
                3d
                   -2 :              -0.00000093540237
                   -1 :               0.00000142565390
                   +0 :              -0.00000727333254
                   +1 :               0.00000258318084
                   +2 :               0.00000302239493
             13 vec=    12.757133    -10.359920      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00000584406385
                2s
                   +0 :               0.00004890397397
                3s
                   +0 :              -0.00001570348860
                2p
                   -1 :              -0.00006056460540
                   +0 :              -0.00011443801788
                   +1 :              -0.00000440966406
                3p
                   -1 :               0.00003720959020
                   +0 :               0.00009027226406
                   +1 :               0.00003197465427
                3d
                   -2 :              -0.00000049217583
                   -1 :              -0.00000048702982
                   +0 :              -0.00000051339298
                   +1 :              -0.00000015619780
                   +2 :              -0.00000071851234
             14 vec=    -2.803193     16.591354      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000465661374
                2s
                   +0 :               0.00003449163745
                3s
                   +0 :              -0.00001277924862
                2p
                   -1 :               0.00006957609152
                   +0 :               0.00006922962050
                   +1 :               0.00012069563427
                3p
                   -1 :              -0.00003540466185
                   +0 :              -0.00005141388961
                   +1 :              -0.00002862962659
                3d
                   -2 :               0.00000397138252
                   -1 :               0.00000289583266
                   +0 :              -0.00000562844994
                   +1 :              -0.00000636116511
                   +2 :              -0.00000073928019
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 25)  npairs=  12
              1 vec=     4.767165      0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00034828103239
                2s
                   +0 :               0.00361772532018
                3s
                   +0 :              -0.00060460609100
                2p
                   -1 :               0.00134831420930
                   +0 :              -0.01070869206241
                   +1 :              -0.00168522815187
                3p
                   -1 :              -0.00127176015778
                   +0 :              -0.00345586396581
                   +1 :               0.00308505258366
                3d
                   -2 :               0.00001317369041
                   -1 :               0.00016792687322
                   +0 :               0.00003602118755
                   +1 :              -0.00208486038285
                   +2 :               0.00034676403095
              2 vec=    -3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00150458742330
                2s
                   +0 :               0.00839723314023
                3s
                   +0 :              -0.00424394831156
                2p
                   -1 :              -0.00461332000371
                   +0 :              -0.00579646378002
                   +1 :              -0.00741631205815
                3p
                   -1 :               0.00339152340691
                   +0 :               0.00111518686876
                   +1 :               0.00563319999931
                3d
                   -2 :              -0.00043130338353
                   -1 :               0.00050927767640
                   +0 :               0.00041907577363
                   +1 :               0.00071602860256
                   +2 :              -0.00010885692503
              3 vec=    -3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00186866846881
                2s
                   +0 :              -0.01223708785755
                3s
                   +0 :               0.00538294027928
                2p
                   -1 :              -0.00743001997466
                   +0 :              -0.00018719654762
                   +1 :               0.00392822070471
                3p
                   -1 :               0.00407689949299
                   +0 :              -0.00374641320623
                   +1 :              -0.00223959059234
                3d
                   -2 :               0.00002848136062
                   -1 :              -0.00064796386287
                   +0 :              -0.00023395772122
                   +1 :               0.00013812869131
                   +2 :              -0.00030623744882
              4 vec=     4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00003061148579
                2s
                   +0 :               0.00057445500261
                3s
                   +0 :               0.00017627896715
                2p
                   -1 :              -0.00110303603931
                   +0 :               0.00021702865789
                   +1 :               0.00073528674167
                3p
                   -1 :               0.00046895864296
                   +0 :              -0.00056012932193
                   +1 :              -0.00034107554614
                3d
                   -2 :               0.00003834314935
                   -1 :               0.00012866468029
                   +0 :               0.00010566867651
                   +1 :              -0.00002136773553
                   +2 :              -0.00005440559005
              5 vec=     4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00000893426899
                2s
                   +0 :              -0.00042778891295
                3s
                   +0 :               0.00003018385757
                2p
                   -1 :              -0.00084271853256
                   +0 :              -0.00027253924365
                   +1 :              -0.00132260535606
                3p
                   -1 :               0.00025236347304
                   +0 :              -0.00018178619553
                   +1 :               0.00096725451625
                3d
                   -2 :               0.00007748633853
                   -1 :              -0.00001583502917
                   +0 :               0.00005847177677
                   +1 :              -0.00001547477620
                   +2 :               0.00003663824462
              6 vec=   -10.793160     -0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00017521298726
                2s
                   +0 :               0.00078930180716
                3s
                   +0 :              -0.00054501889515
                2p
                   -1 :              -0.00005711330191
                   +0 :               0.00031892250413
                   +1 :              -0.00083443105656
                3p
                   -1 :               0.00008393843084
                   +0 :              -0.00057934245990
                   +1 :               0.00089358562464
                3d
                   -2 :               0.00002984804813
                   -1 :              -0.00002926376150
                   +0 :               0.00002330465652
                   +1 :               0.00003488297540
                   +2 :              -0.00007278717977
              7 vec=    12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00006769196774
                2s
                   +0 :               0.00047011640777
                3s
                   +0 :              -0.00020935419673
                2p
                   -1 :              -0.00031576486912
                   +0 :              -0.00019507410206
                   +1 :               0.00041588504768
                3p
                   -1 :               0.00021617422029
                   +0 :               0.00007602853388
                   +1 :              -0.00030421839188
                3d
                   -2 :               0.00002019272964
                   -1 :              -0.00000123732339
                   +0 :              -0.00001428300714
                   +1 :               0.00001341247954
                   +2 :              -0.00000611812569
              8 vec=    12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00000523216568
                2s
                   +0 :               0.00005551292154
                3s
                   +0 :              -0.00001181812862
                2p
                   -1 :               0.00012039283078
                   +0 :              -0.00037740416263
                   +1 :              -0.00034624619992
                3p
                   -1 :              -0.00006626117062
                   +0 :               0.00022965496241
                   +1 :               0.00025208510626
                3d
                   -2 :              -0.00000641774962
                   -1 :              -0.00002095147310
                   +0 :               0.00001366861200
                   +1 :               0.00000276487076
                   +2 :              -0.00000377458798
              9 vec=    -3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000054142858
                2s
                   +0 :               0.00001987865488
                3s
                   +0 :               0.00000991374137
                2p
                   -1 :              -0.00004569349966
                   +0 :               0.00013411376704
                   +1 :               0.00011929961317
                3p
                   -1 :               0.00002677790264
                   +0 :              -0.00011712721825
                   +1 :              -0.00011975724429
                3d
                   -2 :               0.00000511896191
                   -1 :              -0.00000099002004
                   +0 :              -0.00001733117109
                   +1 :               0.00000560944578
                   +2 :               0.00000624566009
             10 vec=    -3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00005016568305
                2s
                   +0 :              -0.00024720542976
                3s
                   +0 :               0.00012569348349
                2p
                   -1 :              -0.00031953522683
                   +0 :               0.00006688307363
                   +1 :               0.00003253339243
                3p
                   -1 :               0.00024619508588
                   +0 :              -0.00011055522890
                   +1 :              -0.00003204998637
                3d
                   -2 :              -0.00001401034427
                   -1 :              -0.00000083768979
                   +0 :              -0.00000940162714
                   +1 :               0.00000535023631
                   +2 :              -0.00000114907315
             11 vec=   -10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00000418518838
                2s
                   +0 :              -0.00002848031271
                3s
                   +0 :               0.00000183601371
                2p
                   -1 :               0.00002941073818
                   +0 :               0.00002926759982
                   +1 :               0.00003754387345
                3p
                   -1 :               0.00000977231327
                   +0 :              -0.00006184822985
                   +1 :              -0.00001328028442
                3d
                   -2 :               0.00000707358487
                   -1 :              -0.00000622483904
                   +0 :              -0.00000918830899
                   +1 :               0.00000577623553
                   +2 :               0.00000688290919
             12 vec=   -10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00003747580093
                2s
                   +0 :               0.00024866957418
                3s
                   +0 :              -0.00014663545680
                2p
                   -1 :               0.00033996604186
                   +0 :              -0.00007791720279
                   +1 :               0.00000007625350
                3p
                   -1 :              -0.00026133447428
                   +0 :               0.00004942532560
                   +1 :               0.00002184387415
                3d
                   -2 :               0.00000679155126
                   -1 :              -0.00000780746585
                   +0 :               0.00002185761962
                   +1 :              -0.00001016501174
                   +2 :               0.00000516901080
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 26)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00016641331879
                2s
                   +0 :              -0.00266346754482
                3s
                   +0 :              -0.00009534330513
                2p
                   -1 :              -0.02814443851672
                   +0 :               0.87572442065506
                   +1 :               0.01596537455586
                3p
                   -1 :               0.01164138920697
                   +0 :              -0.04028356124159
                   +1 :              -0.00630522109950
                3d
                   -2 :              -0.00108458506314
                   -1 :               0.00224563391765
                   +0 :              -0.00023292432155
                   +1 :               0.00377295147579
                   +2 :               0.00199710529818
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000124136014
                2s
                   +0 :               0.00001461240815
                3s
                   +0 :              -0.00002558995785
                2p
                   -1 :               0.00010836829779
                   +0 :               0.00085003652763
                   +1 :              -0.00004610019921
                3p
                   -1 :               0.00004423472279
                   +0 :              -0.00048128993045
                   +1 :              -0.00000736320294
                3d
                   -2 :              -0.00002527275019
                   -1 :              -0.00000514677318
                   +0 :               0.00001855908252
                   +1 :              -0.00001715205963
                   +2 :               0.00002028656551
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00029056795292
                2s
                   +0 :              -0.00205235735346
                3s
                   +0 :               0.00123748760383
                2p
                   -1 :              -0.00084861923752
                   +0 :               0.00077131080050
                   +1 :               0.00175267275107
                3p
                   -1 :               0.00105030893082
                   +0 :              -0.00057149974772
                   +1 :              -0.00157167183806
                3d
                   -2 :              -0.00019962540684
                   -1 :              -0.00001069707354
                   +0 :              -0.00002086561822
                   +1 :               0.00016726708634
                   +2 :               0.00011635361108
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00026170294425
                2s
                   +0 :               0.00193425990816
                3s
                   +0 :              -0.00109216542751
                2p
                   -1 :              -0.00149981535967
                   +0 :               0.00091571352983
                   +1 :              -0.00027012620088
                3p
                   -1 :               0.00137967475958
                   +0 :              -0.00081446378657
                   +1 :              -0.00000543312997
                3d
                   -2 :              -0.00001580238976
                   -1 :               0.00019146294315
                   +0 :               0.00001333749234
                   +1 :               0.00007386837536
                   +2 :               0.00018895636222
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00007247497547
                2s
                   +0 :               0.00032786129167
                3s
                   +0 :              -0.00022595260559
                2p
                   -1 :               0.00090241451441
                   +0 :              -0.00029002832870
                   +1 :              -0.00018126317996
                3p
                   -1 :              -0.00086793742118
                   +0 :               0.00029832570451
                   +1 :               0.00021036912333
                3d
                   -2 :               0.00005673923097
                   -1 :               0.00008292750862
                   +0 :              -0.00000154286979
                   +1 :              -0.00004094024559
                   +2 :              -0.00006548229887
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00003515928282
                2s
                   +0 :               0.00003073368220
                3s
                   +0 :               0.00015801496211
                2p
                   -1 :               0.00050922730349
                   +0 :              -0.00042245073519
                   +1 :              -0.00055587727625
                3p
                   -1 :              -0.00057908332768
                   +0 :               0.00056984621712
                   +1 :               0.00057351001374
                3d
                   -2 :               0.00002183056872
                   -1 :              -0.00009952517229
                   +0 :              -0.00000537309538
                   +1 :               0.00007164426111
                   +2 :              -0.00007784369557
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000031121795
                2s
                   +0 :               0.00002715788561
                3s
                   +0 :               0.00004026893376
                2p
                   -1 :              -0.00139835401264
                   +0 :              -0.00043525413029
                   +1 :               0.00102945587030
                3p
                   -1 :               0.00151855744990
                   +0 :               0.00080193503840
                   +1 :              -0.00110119952858
                3d
                   -2 :               0.00002839606037
                   -1 :               0.00008870545352
                   +0 :               0.00001067579734
                   +1 :               0.00017501617569
                   +2 :              -0.00005876757115
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003629102753
                2s
                   +0 :              -0.00023446441972
                3s
                   +0 :               0.00008113419322
                2p
                   -1 :               0.00003456613374
                   +0 :               0.00009451328730
                   +1 :               0.00003140144387
                3p
                   -1 :              -0.00002816017661
                   +0 :              -0.00010498415049
                   +1 :               0.00004316093104
                3d
                   -2 :               0.00000277567207
                   -1 :               0.00000130712503
                   +0 :               0.00001160095776
                   +1 :               0.00000959274191
                   +2 :              -0.00000692308457
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002849379255
                2s
                   +0 :               0.00018652345715
                3s
                   +0 :              -0.00006654863688
                2p
                   -1 :              -0.00001275441210
                   +0 :               0.00009168287199
                   +1 :              -0.00004247994813
                3p
                   -1 :              -0.00003321807551
                   +0 :              -0.00010594325587
                   +1 :              -0.00000077003620
                3d
                   -2 :               0.00000586222041
                   -1 :               0.00000608706369
                   +0 :              -0.00001129771472
                   +1 :               0.00000425256811
                   +2 :              -0.00000405132153
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001385160698
                2s
                   +0 :              -0.00011478640678
                3s
                   +0 :               0.00000614787133
                2p
                   -1 :              -0.00001580809286
                   +0 :              -0.00015849918409
                   +1 :              -0.00006213875474
                3p
                   -1 :              -0.00011981367790
                   +0 :               0.00004876367505
                   +1 :               0.00010029330471
                3d
                   -2 :               0.00002735288456
                   -1 :               0.00000484808976
                   +0 :               0.00001916527153
                   +1 :               0.00000307046262
                   +2 :               0.00001084410056
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002294971950
                2s
                   +0 :               0.00023042964708
                3s
                   +0 :              -0.00001982836687
                2p
                   -1 :               0.00001137473131
                   +0 :              -0.00011326297692
                   +1 :               0.00007363664081
                3p
                   -1 :              -0.00013476532453
                   +0 :               0.00001960172944
                   +1 :               0.00004099779044
                3d
                   -2 :              -0.00002256393321
                   -1 :              -0.00000041279812
                   +0 :              -0.00001195855875
                   +1 :               0.00000555707237
                   +2 :              -0.00001786347277
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000186087943
                2s
                   +0 :              -0.00002575137492
                3s
                   +0 :              -0.00001077962982
                2p
                   -1 :               0.00011741237559
                   +0 :              -0.00000064653102
                   +1 :               0.00012148462925
                3p
                   -1 :              -0.00017833205808
                   +0 :              -0.00002263419032
                   +1 :              -0.00015747085869
                3d
                   -2 :              -0.00001816216193
                   -1 :               0.00000954433363
                   +0 :               0.00001163185904
                   +1 :              -0.00000752004404
                   +2 :               0.00001075628753
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001670786710
                2s
                   +0 :               0.00014927522403
                3s
                   +0 :              -0.00001992018013
                2p
                   -1 :              -0.00002044937351
                   +0 :               0.00001911629351
                   +1 :              -0.00017175965445
                3p
                   -1 :               0.00002476559280
                   +0 :              -0.00002891034780
                   +1 :               0.00024139541940
                3d
                   -2 :              -0.00000268997155
                   -1 :              -0.00001126289874
                   +0 :              -0.00001350261274
                   +1 :               0.00000493997238
                   +2 :               0.00001707777939
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000079114371
                2s
                   +0 :               0.00000167665725
                3s
                   +0 :              -0.00000416618879
                2p
                   -1 :              -0.00001528112223
                   +0 :               0.00004827943572
                   +1 :               0.00001928152442
                3p
                   -1 :               0.00000518761722
                   +0 :              -0.00004951769037
                   +1 :              -0.00000712355483
                3d
                   -2 :               0.00000046132168
                   -1 :               0.00000484846098
                   +0 :               0.00000038393709
                   +1 :               0.00000411674187
                   +2 :              -0.00000007124720
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000378355492
                2s
                   +0 :               0.00002250516705
                3s
                   +0 :              -0.00001051812477
                2p
                   -1 :               0.00000692178907
                   +0 :              -0.00003291480121
                   +1 :              -0.00003788243745
                3p
                   -1 :              -0.00001079870374
                   +0 :               0.00001415910658
                   +1 :               0.00003689092907
                3d
                   -2 :               0.00000233630209
                   -1 :              -0.00000048565086
                   +0 :               0.00000026390537
                   +1 :              -0.00000002232033
                   +2 :              -0.00000037473688
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000315276469
                2s
                   +0 :              -0.00001096753498
                3s
                   +0 :               0.00001124916203
                2p
                   -1 :               0.00002852665021
                   +0 :              -0.00001451975626
                   +1 :               0.00002481862661
                3p
                   -1 :              -0.00003610087414
                   +0 :               0.00000623189457
                   +1 :              -0.00002535962200
                3d
                   -2 :               0.00000223664986
                   -1 :               0.00000011331812
                   +0 :               0.00000003657730
                   +1 :              -0.00000158800169
                   +2 :              -0.00000210121050
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000717581877
                2s
                   +0 :               0.00004155163291
                3s
                   +0 :              -0.00002216014294
                2p
                   -1 :              -0.00001008057680
                   +0 :               0.00000061012255
                   +1 :               0.00001033866992
                3p
                   -1 :               0.00000102927065
                   +0 :              -0.00000455843686
                   +1 :              -0.00001343463774
                3d
                   -2 :              -0.00000158421903
                   -1 :              -0.00000066943373
                   +0 :               0.00000390166030
                   +1 :               0.00000230782676
                   +2 :               0.00000270527347
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000378784268
                2s
                   +0 :              -0.00000179530925
                3s
                   +0 :               0.00001714828439
                2p
                   -1 :              -0.00002925788609
                   +0 :              -0.00000038459308
                   +1 :              -0.00000618628463
                3p
                   -1 :               0.00001815199105
                   +0 :              -0.00001483912932
                   +1 :               0.00001789380560
                3d
                   -2 :              -0.00000203875102
                   -1 :               0.00000294797116
                   +0 :              -0.00000285661397
                   +1 :              -0.00000042595099
                   +2 :               0.00000270406934
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000338650757
                2s
                   +0 :               0.00003898700360
                3s
                   +0 :              -0.00000646888856
                2p
                   -1 :               0.00002151148771
                   +0 :               0.00000696830434
                   +1 :               0.00001339334285
                3p
                   -1 :              -0.00001922495712
                   +0 :              -0.00001717902135
                   +1 :              -0.00000201823967
                3d
                   -2 :              -0.00000267581108
                   -1 :              -0.00000066571748
                   +0 :              -0.00000035400122
                   +1 :               0.00000011416678
                   +2 :               0.00000327381896
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 27)  npairs=  12
              1 vec=     2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00028986615688
                2s
                   +0 :              -0.00335062864011
                3s
                   +0 :               0.00042841315554
                2p
                   -1 :               0.00181739040944
                   +0 :              -0.01043298309080
                   +1 :              -0.00012760397787
                3p
                   -1 :              -0.00335173911052
                   +0 :              -0.00367218592631
                   +1 :              -0.00057290088265
                3d
                   -2 :              -0.00037547860211
                   -1 :              -0.00185884073105
                   +0 :              -0.00000787364504
                   +1 :              -0.00091565241813
                   +2 :               0.00019768306269
              2 vec=    -5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00146006494200
                2s
                   +0 :              -0.00824594440125
                3s
                   +0 :               0.00394806414393
                2p
                   -1 :               0.00487459642901
                   +0 :              -0.00631918611239
                   +1 :               0.00758642293702
                3p
                   -1 :              -0.00373509192643
                   +0 :               0.00151620075502
                   +1 :              -0.00540232098453
                3d
                   -2 :               0.00027113238183
                   -1 :               0.00034244886259
                   +0 :              -0.00046866032454
                   +1 :               0.00088618076348
                   +2 :               0.00028097135152
              3 vec=     2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00181390512008
                2s
                   +0 :               0.01169678225362
                3s
                   +0 :              -0.00532096168883
                2p
                   -1 :              -0.00669841391593
                   +0 :              -0.00016572425301
                   +1 :               0.00412367970890
                3p
                   -1 :               0.00379540309963
                   +0 :              -0.00377671162402
                   +1 :              -0.00249288958025
                3d
                   -2 :               0.00030541109759
                   -1 :               0.00038410755182
                   +0 :               0.00023258380964
                   +1 :              -0.00047594097046
                   +2 :              -0.00020271639474
              4 vec=    -5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00010222111826
                2s
                   +0 :              -0.00009049760816
                3s
                   +0 :              -0.00039050035993
                2p
                   -1 :              -0.00143120850583
                   +0 :              -0.00003062479120
                   +1 :               0.00058127134402
                3p
                   -1 :               0.00061643758589
                   +0 :              -0.00038163153085
                   +1 :              -0.00018020145809
                3d
                   -2 :               0.00003025842592
                   -1 :              -0.00005858444625
                   +0 :              -0.00011277602378
                   +1 :               0.00009699855344
                   +2 :              -0.00005584184920
              5 vec=    10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00001880346886
                2s
                   +0 :               0.00028981240873
                3s
                   +0 :               0.00009825631397
                2p
                   -1 :               0.00087540808830
                   +0 :              -0.00043106826389
                   +1 :               0.00108967933948
                3p
                   -1 :              -0.00078808537938
                   +0 :              -0.00004803360072
                   +1 :              -0.00060517389942
                3d
                   -2 :              -0.00006550392046
                   -1 :               0.00000104533185
                   +0 :              -0.00002668219146
                   +1 :              -0.00001609231603
                   +2 :              -0.00006277742272
              6 vec=    -5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00018460805887
                2s
                   +0 :              -0.00091682381610
                3s
                   +0 :               0.00057106482742
                2p
                   -1 :               0.00066802601117
                   +0 :               0.00008511851685
                   +1 :               0.00025326619577
                3p
                   -1 :              -0.00065460389159
                   +0 :              -0.00036857709198
                   +1 :              -0.00033240926740
                3d
                   -2 :               0.00004790969517
                   -1 :               0.00004905727968
                   +0 :              -0.00002742813723
                   +1 :               0.00000611963176
                   +2 :              -0.00006536578491
              7 vec=     2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00004818497957
                2s
                   +0 :              -0.00026512275533
                3s
                   +0 :               0.00016741268287
                2p
                   -1 :              -0.00039909213073
                   +0 :              -0.00023906480555
                   +1 :               0.00007581308134
                3p
                   -1 :               0.00033299310926
                   +0 :               0.00009230415462
                   +1 :              -0.00005133204183
                3d
                   -2 :              -0.00000581718516
                   -1 :               0.00000689785459
                   +0 :               0.00001330801679
                   +1 :               0.00000254400306
                   +2 :              -0.00002434514048
              8 vec=    10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00002078042560
                2s
                   +0 :              -0.00008633761156
                3s
                   +0 :               0.00010575243916
                2p
                   -1 :               0.00026741513922
                   +0 :              -0.00047349564534
                   +1 :              -0.00004036073214
                3p
                   -1 :              -0.00015051218458
                   +0 :               0.00032803060911
                   +1 :               0.00005242161081
                3d
                   -2 :               0.00001185061921
                   -1 :               0.00000763241656
                   +0 :              -0.00001339770881
                   +1 :              -0.00001942172615
                   +2 :               0.00000067631164
              9 vec=   -13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000747681551
                2s
                   +0 :               0.00002879330646
                3s
                   +0 :              -0.00003303948915
                2p
                   -1 :              -0.00025375436204
                   +0 :               0.00003428926912
                   +1 :              -0.00001737838012
                3p
                   -1 :               0.00021851106495
                   +0 :              -0.00005996457982
                   +1 :               0.00003853599390
                3d
                   -2 :              -0.00001647812225
                   -1 :               0.00000799305465
                   +0 :               0.00001179605172
                   +1 :               0.00000293357418
                   +2 :              -0.00000678203900
             10 vec=    10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00005396380119
                2s
                   +0 :               0.00033583924773
                3s
                   +0 :              -0.00013662018252
                2p
                   -1 :              -0.00016595164477
                   +0 :               0.00014563118344
                   +1 :               0.00029895578223
                3p
                   -1 :               0.00012413590035
                   +0 :              -0.00014799355855
                   +1 :              -0.00020438409828
                3d
                   -2 :               0.00000385453012
                   -1 :               0.00000365421175
                   +0 :               0.00000341352627
                   +1 :               0.00000227603248
                   +2 :               0.00001079918911
             11 vec=   -13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00001359182610
                2s
                   +0 :              -0.00005395813623
                3s
                   +0 :               0.00002426050356
                2p
                   -1 :               0.00003908451868
                   +0 :               0.00008139247148
                   +1 :              -0.00001838706142
                3p
                   -1 :              -0.00002636355225
                   +0 :              -0.00010749425300
                   +1 :              -0.00000510608361
                3d
                   -2 :              -0.00000489078703
                   -1 :               0.00000828098376
                   +0 :               0.00000695524784
                   +1 :              -0.00000271919581
                   +2 :              -0.00000519928234
             12 vec=     2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00002243759288
                2s
                   +0 :              -0.00012052219568
                3s
                   +0 :               0.00010370833922
                2p
                   -1 :               0.00001444302612
                   +0 :              -0.00007028695189
                   +1 :              -0.00028588962306
                3p
                   -1 :              -0.00003219483011
                   +0 :               0.00004875384526
                   +1 :               0.00020115040505
                3d
                   -2 :              -0.00000447606728
                   -1 :              -0.00000393863968
                   +0 :              -0.00001908012227
                   +1 :              -0.00001504308091
                   +2 :               0.00000133973578
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 28)  npairs=  14
              1 vec=    -0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00010109195005
                2s
                   +0 :               0.00020960397453
                3s
                   +0 :              -0.00041067323592
                2p
                   -1 :               0.00067825598415
                   +0 :              -0.00071686866938
                   +1 :              -0.00024846839614
                3p
                   -1 :              -0.00061863404265
                   +0 :               0.00072558583738
                   +1 :               0.00014985366280
                3d
                   -2 :               0.00000084640056
                   -1 :               0.00003996809702
                   +0 :               0.00000024001069
                   +1 :              -0.00002051859479
                   +2 :               0.00000026786295
              2 vec=    -0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000398305841
                2s
                   +0 :               0.00049902282827
                3s
                   +0 :               0.00007143501458
                2p
                   -1 :              -0.00026541408599
                   +0 :               0.00009672464946
                   +1 :               0.00040718364667
                3p
                   -1 :               0.00009052160553
                   +0 :               0.00001213391566
                   +1 :              -0.00031730239942
                3d
                   -2 :              -0.00001857535852
                   -1 :               0.00000817029642
                   +0 :              -0.00003015190824
                   +1 :              -0.00001271193471
                   +2 :               0.00002370889562
              3 vec=    -0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00009542595734
                2s
                   +0 :              -0.00141934385149
                3s
                   +0 :               0.00010057489512
                2p
                   -1 :               0.00036722741756
                   +0 :               0.00101578109592
                   +1 :              -0.00000041324204
                3p
                   -1 :              -0.00003668277772
                   +0 :              -0.00001257361087
                   +1 :               0.00022905626050
                3d
                   -2 :              -0.00002703140628
                   -1 :              -0.00002978358718
                   +0 :              -0.00002131153708
                   +1 :              -0.00005115328294
                   +2 :              -0.00002710682820
              4 vec=    -0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00021325368995
                2s
                   +0 :               0.00209434496216
                3s
                   +0 :              -0.00061803346172
                2p
                   -1 :              -0.00080271522672
                   +0 :               0.00128443295057
                   +1 :              -0.00037867308682
                3p
                   -1 :               0.00044361549801
                   +0 :              -0.00036912284662
                   +1 :               0.00020895802840
                3d
                   -2 :               0.00002539050647
                   -1 :               0.00000192444243
                   +0 :               0.00000248907103
                   +1 :              -0.00000133710911
                   +2 :               0.00004605758727
              5 vec=     7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00004865717626
                2s
                   +0 :              -0.00056947659102
                3s
                   +0 :               0.00004533560980
                2p
                   -1 :               0.00027460360567
                   +0 :              -0.00001725567637
                   +1 :              -0.00015162690907
                3p
                   -1 :              -0.00003424507018
                   +0 :               0.00025969022927
                   +1 :              -0.00005726605126
                3d
                   -2 :               0.00002258571751
                   -1 :              -0.00001942565632
                   +0 :              -0.00002474970273
                   +1 :               0.00001774585596
                   +2 :               0.00001091751594
              6 vec=     7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002897566991
                2s
                   +0 :               0.00047144621314
                3s
                   +0 :              -0.00005421461297
                2p
                   -1 :              -0.00008362156385
                   +0 :               0.00007083739076
                   +1 :               0.00000801228343
                3p
                   -1 :              -0.00014861881039
                   +0 :               0.00005476897459
                   +1 :               0.00008576584795
                3d
                   -2 :              -0.00001330823182
                   -1 :              -0.00001945204215
                   +0 :              -0.00000403401648
                   +1 :               0.00000425173266
                   +2 :              -0.00000460406357
              7 vec=    -7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006061205492
                2s
                   +0 :              -0.00045670415264
                3s
                   +0 :               0.00013580544352
                2p
                   -1 :               0.00000610066176
                   +0 :               0.00013343761236
                   +1 :               0.00012800629990
                3p
                   -1 :               0.00014757537932
                   +0 :              -0.00002719814534
                   +1 :              -0.00004852647411
                3d
                   -2 :              -0.00001045327220
                   -1 :              -0.00002681790037
                   +0 :               0.00002000830636
                   +1 :               0.00001417450858
                   +2 :               0.00001809795315
              8 vec=    -7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00006062358935
                2s
                   +0 :               0.00081231564656
                3s
                   +0 :              -0.00010619035534
                2p
                   -1 :              -0.00059665916501
                   +0 :               0.00049117481878
                   +1 :              -0.00027518882169
                3p
                   -1 :               0.00023937724913
                   +0 :              -0.00017337544884
                   +1 :               0.00007913949190
                3d
                   -2 :               0.00000089994957
                   -1 :              -0.00000416359883
                   +0 :              -0.00000668229599
                   +1 :              -0.00001172532329
                   +2 :              -0.00001146845331
              9 vec=     7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001724151373
                2s
                   +0 :              -0.00015503008746
                3s
                   +0 :               0.00004539805685
                2p
                   -1 :              -0.00009758173006
                   +0 :               0.00008467342382
                   +1 :              -0.00016568137238
                3p
                   -1 :               0.00001922264165
                   +0 :              -0.00003265949294
                   +1 :               0.00009044132601
                3d
                   -2 :              -0.00000136191998
                   -1 :               0.00000144810647
                   +0 :              -0.00001603692574
                   +1 :              -0.00000347971173
                   +2 :              -0.00000061122900
             10 vec=     7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000298886169
                2s
                   +0 :              -0.00002073134600
                3s
                   +0 :               0.00004077810769
                2p
                   -1 :               0.00006497713663
                   +0 :              -0.00009475412476
                   +1 :              -0.00002707834890
                3p
                   -1 :               0.00000289972589
                   +0 :               0.00013422505337
                   +1 :               0.00003028870901
                3d
                   -2 :               0.00000720304034
                   -1 :               0.00000593829731
                   +0 :               0.00001874985787
                   +1 :               0.00000289136373
                   +2 :              -0.00001565087473
             11 vec=    -7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000340764920
                2s
                   +0 :              -0.00002263230008
                3s
                   +0 :              -0.00000500910771
                2p
                   -1 :               0.00003068396099
                   +0 :              -0.00003882193755
                   +1 :               0.00021944730185
                3p
                   -1 :              -0.00006530361968
                   +0 :               0.00007773389809
                   +1 :              -0.00015430320781
                3d
                   -2 :              -0.00000081375508
                   -1 :               0.00000891642290
                   +0 :              -0.00000653730498
                   +1 :               0.00001271946940
                   +2 :               0.00001496483865
             12 vec=    -7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000520480148
                2s
                   +0 :              -0.00000240554470
                3s
                   +0 :               0.00003359379467
                2p
                   -1 :               0.00013849643460
                   +0 :               0.00005736320949
                   +1 :               0.00003483811965
                3p
                   -1 :              -0.00006092100707
                   +0 :               0.00003326490037
                   +1 :              -0.00003971337344
                3d
                   -2 :               0.00000180882300
                   -1 :               0.00000143220844
                   +0 :               0.00000084765195
                   +1 :              -0.00000539291713
                   +2 :              -0.00000284280992
             13 vec=    -0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000592081310
                2s
                   +0 :              -0.00007982937364
                3s
                   +0 :               0.00001973048246
                2p
                   -1 :              -0.00018023387729
                   +0 :               0.00000395570680
                   +1 :               0.00001429828554
                3p
                   -1 :               0.00008536600255
                   +0 :              -0.00000995873347
                   +1 :              -0.00000193942274
                3d
                   -2 :              -0.00000725412473
                   -1 :              -0.00000900785117
                   +0 :               0.00000139308195
                   +1 :              -0.00000354383710
                   +2 :               0.00000012739095
             14 vec=    -0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00006239493537
                2s
                   +0 :              -0.00054575274880
                3s
                   +0 :               0.00004711978392
                2p
                   -1 :              -0.00012509664644
                   +0 :              -0.00029809404050
                   +1 :              -0.00002569461776
                3p
                   -1 :              -0.00003263621757
                   +0 :              -0.00001587652945
                   +1 :              -0.00000112608127
                3d
                   -2 :              -0.00000738823348
                   -1 :              -0.00003579193013
                   +0 :              -0.00001737607270
                   +1 :              -0.00000634975449
                   +2 :               0.00001442431506
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 29)  npairs=  18
              1 vec=    -3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00006727745449
                2s
                   +0 :               0.00012222338597
                3s
                   +0 :              -0.00022262069046
                2p
                   -1 :              -0.00019924021085
                   +0 :               0.00009906998139
                   +1 :              -0.00042084331543
                3p
                   -1 :               0.00012283047232
                   +0 :              -0.00005721844809
                   +1 :               0.00035597038475
                3d
                   -2 :              -0.00004111692313
                   -1 :              -0.00003279249590
                   +0 :               0.00001762308850
                   +1 :              -0.00001700615974
                   +2 :               0.00001469548308
              2 vec=    -3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00003072725162
                2s
                   +0 :               0.00058360105546
                3s
                   +0 :              -0.00008602715661
                2p
                   -1 :               0.00012716707919
                   +0 :              -0.00013064671117
                   +1 :               0.00003967571720
                3p
                   -1 :              -0.00015997621114
                   +0 :               0.00024979388910
                   +1 :              -0.00001825762762
                3d
                   -2 :               0.00004758211854
                   -1 :               0.00001997235223
                   +0 :              -0.00000518122769
                   +1 :              -0.00000892992177
                   +2 :               0.00001433192475
              3 vec=     4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00011329036209
                2s
                   +0 :              -0.00138666076020
                3s
                   +0 :               0.00017544197225
                2p
                   -1 :               0.00010915817299
                   +0 :               0.00083924421194
                   +1 :              -0.00003923717107
                3p
                   -1 :              -0.00019172976016
                   +0 :               0.00000965103930
                   +1 :              -0.00005626924684
                3d
                   -2 :               0.00002843369892
                   -1 :               0.00002263696850
                   +0 :              -0.00000357908949
                   +1 :               0.00000110975561
                   +2 :               0.00000789813850
              4 vec=     4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00011324212166
                2s
                   +0 :               0.00144586573632
                3s
                   +0 :              -0.00009887965336
                2p
                   -1 :               0.00025222902684
                   +0 :               0.00082312266570
                   +1 :              -0.00003695520545
                3p
                   -1 :              -0.00009623815307
                   +0 :               0.00005041677103
                   +1 :               0.00015471188000
                3d
                   -2 :              -0.00003683712487
                   -1 :              -0.00001459583095
                   +0 :               0.00003449318137
                   +1 :               0.00003858495051
                   +2 :              -0.00000846968848
              5 vec=    -3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005400031496
                2s
                   +0 :              -0.00053742682852
                3s
                   +0 :               0.00011952425647
                2p
                   -1 :              -0.00035311085471
                   +0 :               0.00029178901704
                   +1 :              -0.00037517972947
                3p
                   -1 :               0.00002758211920
                   +0 :              -0.00003579637044
                   +1 :               0.00019293370658
                3d
                   -2 :              -0.00000459809465
                   -1 :               0.00002801642453
                   +0 :               0.00001523367480
                   +1 :               0.00000194376076
                   +2 :               0.00002233667611
              6 vec=    -3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000647935310
                2s
                   +0 :               0.00062911854344
                3s
                   +0 :               0.00003622377329
                2p
                   -1 :               0.00069642140566
                   +0 :               0.00076428478408
                   +1 :               0.00027592122542
                3p
                   -1 :               0.00002781655391
                   +0 :              -0.00018208243946
                   +1 :               0.00000949445177
                3d
                   -2 :              -0.00000409894665
                   -1 :               0.00006039740099
                   +0 :               0.00001630722990
                   +1 :               0.00002634639945
                   +2 :              -0.00003859860286
              7 vec=     4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00010564316868
                2s
                   +0 :              -0.00158663468866
                3s
                   +0 :               0.00017195896680
                2p
                   -1 :               0.00034071357254
                   +0 :               0.00110673970027
                   +1 :              -0.00069549650421
                3p
                   -1 :              -0.00009145861312
                   +0 :              -0.00016676467733
                   +1 :               0.00003123178369
                3d
                   -2 :               0.00003164713754
                   -1 :              -0.00001368344389
                   +0 :              -0.00002565139432
                   +1 :               0.00004712586282
                   +2 :              -0.00003525213862
              8 vec=     4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000065364745
                2s
                   +0 :               0.00020765141496
                3s
                   +0 :               0.00002172719671
                2p
                   -1 :              -0.00029573942338
                   +0 :              -0.00011854013256
                   +1 :               0.00012863257146
                3p
                   -1 :               0.00025136266501
                   +0 :               0.00019296257728
                   +1 :               0.00006819011499
                3d
                   -2 :               0.00000639527816
                   -1 :               0.00002547986279
                   +0 :               0.00000164355363
                   +1 :               0.00003597922625
                   +2 :               0.00001035943402
              9 vec=   -10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000233651270
                2s
                   +0 :              -0.00006277843312
                3s
                   +0 :              -0.00000239707416
                2p
                   -1 :              -0.00016992860116
                   +0 :               0.00004887048333
                   +1 :              -0.00004525190651
                3p
                   -1 :               0.00013861324227
                   +0 :              -0.00001928573341
                   +1 :               0.00010818253367
                3d
                   -2 :              -0.00000207273898
                   -1 :              -0.00001204644538
                   +0 :               0.00000125138872
                   +1 :              -0.00000744007019
                   +2 :              -0.00001286316598
             10 vec=   -10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003932621458
                2s
                   +0 :               0.00032378680630
                3s
                   +0 :              -0.00011727006602
                2p
                   -1 :               0.00005626316606
                   +0 :               0.00005821163598
                   +1 :              -0.00019397825428
                3p
                   -1 :              -0.00002995735216
                   +0 :              -0.00003338330634
                   +1 :               0.00005148261409
                3d
                   -2 :               0.00000467380651
                   -1 :              -0.00000413982257
                   +0 :               0.00000375720679
                   +1 :               0.00000439530455
                   +2 :              -0.00000354391690
             11 vec=    -3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001811875084
                2s
                   +0 :              -0.00016043520372
                3s
                   +0 :               0.00006135815024
                2p
                   -1 :               0.00012162225730
                   +0 :               0.00003859811369
                   +1 :               0.00003094100565
                3p
                   -1 :               0.00000131546897
                   +0 :              -0.00002492219093
                   +1 :               0.00000191318640
                3d
                   -2 :               0.00000188505043
                   -1 :               0.00000291299042
                   +0 :               0.00000046407491
                   +1 :              -0.00000242687615
                   +2 :              -0.00000142010082
             12 vec=    -3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000582271854
                2s
                   +0 :               0.00006861419097
                3s
                   +0 :              -0.00000298639338
                2p
                   -1 :              -0.00007515303604
                   +0 :              -0.00004767624680
                   +1 :               0.00010119864908
                3p
                   -1 :               0.00000993592640
                   +0 :               0.00006289677474
                   +1 :              -0.00012135848921
                3d
                   -2 :               0.00000732611217
                   -1 :               0.00000152853026
                   +0 :               0.00000039818092
                   +1 :              -0.00000013212583
                   +2 :              -0.00000081271991
             13 vec=   -10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002133379974
                2s
                   +0 :              -0.00019379284283
                3s
                   +0 :               0.00005657498215
                2p
                   -1 :               0.00009877144117
                   +0 :               0.00008000764345
                   +1 :               0.00009501451032
                3p
                   -1 :              -0.00006145634293
                   +0 :              -0.00004706885008
                   +1 :              -0.00000706543790
                3d
                   -2 :               0.00000029667332
                   -1 :               0.00000298907848
                   +0 :              -0.00000099098384
                   +1 :               0.00000179627343
                   +2 :              -0.00000724183066
             14 vec=   -10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001258478733
                2s
                   +0 :               0.00015320723715
                3s
                   +0 :              -0.00001021290725
                2p
                   -1 :              -0.00004115685744
                   +0 :               0.00006661142849
                   +1 :              -0.00010699769267
                3p
                   -1 :              -0.00001127829653
                   +0 :              -0.00001902929685
                   +1 :               0.00003417323495
                3d
                   -2 :               0.00000088509154
                   -1 :               0.00000045520600
                   +0 :               0.00000603203456
                   +1 :               0.00000140728773
                   +2 :              -0.00000357472129
             15 vec=     4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000707182041
                2s
                   +0 :              -0.00006556196868
                3s
                   +0 :               0.00003554375278
                2p
                   -1 :              -0.00006244052015
                   +0 :               0.00001510694290
                   +1 :               0.00003553585484
                3p
                   -1 :               0.00006031565957
                   +0 :              -0.00001822675558
                   +1 :              -0.00005290185602
                3d
                   -2 :              -0.00000124792729
                   -1 :              -0.00001014335385
                   +0 :              -0.00000452491631
                   +1 :               0.00000219391781
                   +2 :              -0.00000987459144
             16 vec=     4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002415594432
                2s
                   +0 :               0.00012819352860
                3s
                   +0 :              -0.00009695507457
                2p
                   -1 :               0.00011910164973
                   +0 :               0.00003889144344
                   +1 :               0.00005730063644
                3p
                   -1 :              -0.00007228222329
                   +0 :              -0.00005574336585
                   +1 :              -0.00006251104708
                3d
                   -2 :               0.00000318883979
                   -1 :              -0.00000108086134
                   +0 :              -0.00000252974816
                   +1 :              -0.00001441907532
                   +2 :              -0.00000465007144
             17 vec=    12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001728587849
                2s
                   +0 :              -0.00012236246740
                3s
                   +0 :               0.00005665210810
                2p
                   -1 :              -0.00006369253010
                   +0 :               0.00002555049490
                   +1 :              -0.00014811002961
                3p
                   -1 :               0.00002187036478
                   +0 :              -0.00004140269584
                   +1 :               0.00009194666737
                3d
                   -2 :               0.00000097493116
                   -1 :              -0.00000243483396
                   +0 :               0.00000537762724
                   +1 :              -0.00000548048972
                   +2 :               0.00000005310188
             18 vec=    12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001768307148
                2s
                   +0 :               0.00016937008058
                3s
                   +0 :              -0.00004491987673
                2p
                   -1 :               0.00001134166995
                   +0 :               0.00002330432470
                   +1 :               0.00009724562508
                3p
                   -1 :               0.00000330017291
                   +0 :               0.00000591602499
                   +1 :              -0.00004849083240
                3d
                   -2 :               0.00000138537949
                   -1 :               0.00000078256324
                   +0 :               0.00000748767090
                   +1 :               0.00000284292068
                   +2 :               0.00000062401066
WF             site_B          number of pairs
WF( 46)=[O_14_2pz]  to site O ( 30)  npairs=  14
              1 vec=     2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004887091416
                2s
                   +0 :              -0.00025154805068
                3s
                   +0 :              -0.00016248783104
                2p
                   -1 :              -0.00074400686518
                   +0 :               0.00015501284574
                   +1 :               0.00025455021057
                3p
                   -1 :               0.00046173544332
                   +0 :              -0.00008990938164
                   +1 :              -0.00005522932955
                3d
                   -2 :               0.00000522083586
                   -1 :              -0.00000695900235
                   +0 :               0.00002329901229
                   +1 :               0.00000005274636
                   +2 :               0.00004298248473
              2 vec=     2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00002196129981
                2s
                   +0 :               0.00039514883721
                3s
                   +0 :               0.00008199473167
                2p
                   -1 :               0.00017153066132
                   +0 :              -0.00041561148472
                   +1 :              -0.00020960915898
                3p
                   -1 :              -0.00017150919154
                   +0 :               0.00054164423167
                   +1 :               0.00023994933463
                3d
                   -2 :              -0.00002126291375
                   -1 :              -0.00001778950975
                   +0 :               0.00001406986832
                   +1 :               0.00001892132284
                   +2 :              -0.00000318791269
              3 vec=    -5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013591509764
                2s
                   +0 :              -0.00165805955137
                3s
                   +0 :               0.00015168034313
                2p
                   -1 :              -0.00014044564842
                   +0 :               0.00100711043863
                   +1 :               0.00079066239047
                3p
                   -1 :               0.00010541574935
                   +0 :               0.00004673948106
                   +1 :              -0.00040060324283
                3d
                   -2 :              -0.00002602205366
                   -1 :              -0.00000296015342
                   +0 :              -0.00008725576907
                   +1 :              -0.00002240870606
                   +2 :              -0.00001396999357
              4 vec=    -5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00010708747694
                2s
                   +0 :               0.00144552511759
                3s
                   +0 :              -0.00012012074020
                2p
                   -1 :               0.00016726134297
                   +0 :               0.00087866844251
                   +1 :              -0.00011803465375
                3p
                   -1 :              -0.00008700588053
                   +0 :              -0.00000432024724
                   +1 :              -0.00014163223546
                3d
                   -2 :               0.00002715811902
                   -1 :              -0.00002871679923
                   +0 :               0.00002718341141
                   +1 :              -0.00004850839746
                   +2 :               0.00000988563062
              5 vec=     2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003338338900
                2s
                   +0 :              -0.00042800829646
                3s
                   +0 :               0.00012079164051
                2p
                   -1 :              -0.00012487794366
                   +0 :               0.00029436385775
                   +1 :               0.00014256155991
                3p
                   -1 :              -0.00007310890490
                   +0 :              -0.00020668173697
                   +1 :               0.00004036634454
                3d
                   -2 :               0.00000555669007
                   -1 :               0.00002354772689
                   +0 :               0.00002175190069
                   +1 :              -0.00001550064907
                   +2 :               0.00000218575801
              6 vec=     2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001226370938
                2s
                   +0 :              -0.00001199007362
                3s
                   +0 :               0.00005204009618
                2p
                   -1 :               0.00033009872309
                   +0 :              -0.00031924740512
                   +1 :              -0.00040934111511
                3p
                   -1 :               0.00007694898453
                   +0 :               0.00030388959904
                   +1 :               0.00011120933581
                3d
                   -2 :               0.00000729083928
                   -1 :               0.00003263398520
                   +0 :               0.00001184013910
                   +1 :              -0.00003191230503
                   +2 :              -0.00002287098364
              7 vec=    -5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006902933451
                2s
                   +0 :              -0.00081456379455
                3s
                   +0 :               0.00012442849985
                2p
                   -1 :              -0.00013635568813
                   +0 :               0.00043612919762
                   +1 :               0.00056000926521
                3p
                   -1 :               0.00008927093276
                   +0 :              -0.00013401163397
                   +1 :              -0.00013045414663
                3d
                   -2 :              -0.00000242890650
                   -1 :               0.00000142731652
                   +0 :               0.00000156495232
                   +1 :              -0.00001701314117
                   +2 :              -0.00000800901196
              8 vec=    -5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001257734760
                2s
                   +0 :               0.00005857978537
                3s
                   +0 :               0.00012785750539
                2p
                   -1 :               0.00024463100853
                   +0 :              -0.00017426697734
                   +1 :              -0.00003146263572
                3p
                   -1 :              -0.00024863491985
                   +0 :               0.00022057155194
                   +1 :              -0.00007837673561
                3d
                   -2 :               0.00002173981280
                   -1 :              -0.00003797052400
                   +0 :               0.00001569560344
                   +1 :              -0.00003248321435
                   +2 :               0.00000632442303
              9 vec=    10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000382956159
                2s
                   +0 :              -0.00002732863893
                3s
                   +0 :              -0.00001631865397
                2p
                   -1 :               0.00010779270711
                   +0 :              -0.00004896357255
                   +1 :              -0.00006980750561
                3p
                   -1 :              -0.00009915354751
                   +0 :               0.00009669066590
                   +1 :              -0.00001911477299
                3d
                   -2 :               0.00000812055193
                   -1 :               0.00000175976353
                   +0 :              -0.00002050035118
                   +1 :               0.00000726543053
                   +2 :              -0.00001118207759
             10 vec=    10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00004369977162
                2s
                   +0 :               0.00034363080061
                3s
                   +0 :              -0.00011405234857
                2p
                   -1 :               0.00013767813758
                   +0 :               0.00014653296212
                   +1 :               0.00022734468806
                3p
                   -1 :              -0.00008370347367
                   +0 :              -0.00010521436411
                   +1 :              -0.00010508090606
                3d
                   -2 :               0.00000066654951
                   -1 :              -0.00000364475644
                   +0 :               0.00000230214912
                   +1 :              -0.00000510651247
                   +2 :               0.00000158773805
             11 vec=     2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000116774430
                2s
                   +0 :              -0.00002244012366
                3s
                   +0 :              -0.00000789767720
                2p
                   -1 :               0.00011450064671
                   +0 :               0.00008077770716
                   +1 :               0.00002155504607
                3p
                   -1 :              -0.00003520791110
                   +0 :              -0.00002752080238
                   +1 :              -0.00002697977549
                3d
                   -2 :               0.00000247859344
                   -1 :               0.00000258350335
                   +0 :               0.00000392361120
                   +1 :               0.00000383251339
                   +2 :              -0.00000204259253
             12 vec=     2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002946383423
                2s
                   +0 :              -0.00012637692682
                3s
                   +0 :               0.00007367891126
                2p
                   -1 :              -0.00008802801617
                   +0 :              -0.00001252037151
                   +1 :               0.00014868334339
                3p
                   -1 :               0.00005823736850
                   +0 :               0.00001712586337
                   +1 :              -0.00013518908212
                3d
                   -2 :               0.00002249827989
                   -1 :              -0.00000335378760
                   +0 :               0.00000722817994
                   +1 :              -0.00001449877433
                   +2 :               0.00001124069708
             13 vec=    10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000136130575
                2s
                   +0 :              -0.00004576995013
                3s
                   +0 :              -0.00003281745102
                2p
                   -1 :               0.00000523982008
                   +0 :              -0.00010593615704
                   +1 :              -0.00008866834643
                3p
                   -1 :               0.00002468596672
                   +0 :               0.00008417226135
                   +1 :              -0.00003381457342
                3d
                   -2 :               0.00000816900685
                   -1 :              -0.00000917722350
                   +0 :              -0.00000190123897
                   +1 :               0.00000922527838
                   +2 :              -0.00000620351657
             14 vec=    10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002311790238
                2s
                   +0 :               0.00023207109353
                3s
                   +0 :              -0.00004427003166
                2p
                   -1 :              -0.00018880493686
                   +0 :               0.00006197525784
                   +1 :               0.00009903048232
                3p
                   -1 :               0.00009268990183
                   +0 :               0.00000456550498
                   +1 :              -0.00001013555385
                3d
                   -2 :              -0.00000202099225
                   -1 :               0.00000187938548
                   +0 :               0.00000247305965
                   +1 :              -0.00000160474776
                   +2 :               0.00000335478541
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al(  1)  npairs=  15
              1 vec=    -0.209805     -3.115717     10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00002823651933
                2p
                   -1 :               0.00027234626319
                   +0 :              -0.00003051957026
                   +1 :               0.00007278942037
                3s
                   +0 :              -0.00032667218351
                4s
                   +0 :               0.00013755796072
                3p
                   -1 :              -0.00096934310218
                   +0 :              -0.00003739605139
                   +1 :              -0.00088308410470
                4p
                   -1 :               0.00035287656380
                   +0 :              -0.00007191114257
                   +1 :               0.00007397361600
                3d
                   -2 :              -0.00023473056060
                   -1 :              -0.00001440526696
                   +0 :              -0.00004347000089
                   +1 :              -0.00014262255507
                   +2 :               0.00011586614166
              2 vec=    -0.209805      5.868041     10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00040726219317
                2p
                   -1 :               0.00018558101192
                   +0 :               0.00014881291174
                   +1 :              -0.00023648092608
                3s
                   +0 :              -0.00125129776216
                4s
                   +0 :               0.00024506922661
                3p
                   -1 :              -0.00074625732515
                   +0 :              -0.00071735965143
                   +1 :               0.00114949886775
                4p
                   -1 :               0.00003172929138
                   +0 :               0.00010036810401
                   +1 :              -0.00022233231548
                3d
                   -2 :               0.00016522271831
                   -1 :              -0.00015290601322
                   +0 :              -0.00007706386540
                   +1 :               0.00026056686965
                   +2 :              -0.00006274565200
              3 vec=     7.570358      1.376162     10.693237   |vec|=   13.173817
                2s
                   +0 :              -0.00011764749872
                2p
                   -1 :               0.00016039249149
                   +0 :              -0.00001391169478
                   +1 :               0.00001008777535
                3s
                   +0 :               0.00131902245276
                4s
                   +0 :              -0.00016247086319
                3p
                   -1 :              -0.00056371085194
                   +0 :               0.00063786773978
                   +1 :               0.00055069084269
                4p
                   -1 :               0.00024248283405
                   +0 :              -0.00000522093809
                   +1 :               0.00001690496878
                3d
                   -2 :               0.00002021587299
                   -1 :              -0.00011456318917
                   +0 :               0.00004586899923
                   +1 :               0.00022154061458
                   +2 :               0.00019805101192
              4 vec=    -7.989968      1.376162     10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00009759266013
                2p
                   -1 :               0.00005324065861
                   +0 :              -0.00011952399230
                   +1 :              -0.00003043333980
                3s
                   +0 :              -0.00073636912102
                4s
                   +0 :              -0.00007808271602
                3p
                   -1 :              -0.00061365395174
                   +0 :              -0.00015439428166
                   +1 :               0.00109700829097
                4p
                   -1 :               0.00002384274175
                   +0 :              -0.00011575205829
                   +1 :              -0.00023022568349
                3d
                   -2 :               0.00009020632528
                   -1 :              -0.00024440112355
                   +0 :               0.00002769891350
                   +1 :               0.00024513163862
                   +2 :              -0.00020406049012
              5 vec=    -0.209805     -3.115717    -13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00004512193952
                2p
                   -1 :              -0.00000823825649
                   +0 :               0.00005185636247
                   +1 :               0.00005356803786
                3s
                   +0 :               0.00017323805302
                4s
                   +0 :              -0.00004643468622
                3p
                   -1 :               0.00010025758213
                   +0 :              -0.00027796141195
                   +1 :              -0.00023292611285
                4p
                   -1 :              -0.00006733346672
                   +0 :               0.00007842969644
                   +1 :               0.00006209420129
                3d
                   -2 :              -0.00000389661984
                   -1 :               0.00000304363703
                   +0 :               0.00001986107127
                   +1 :              -0.00002360343649
                   +2 :              -0.00002066323117
              6 vec=    -0.209805      5.868041    -13.854306   |vec|=   15.047249
                2s
                   +0 :              -0.00000875841371
                2p
                   -1 :               0.00006731170596
                   +0 :               0.00004032907749
                   +1 :              -0.00002261905463
                3s
                   +0 :               0.00005894037917
                4s
                   +0 :              -0.00002163307848
                3p
                   -1 :              -0.00033545645439
                   +0 :              -0.00023947162145
                   +1 :               0.00009409945100
                4p
                   -1 :               0.00006747883812
                   +0 :               0.00006196828954
                   +1 :              -0.00002058689498
                3d
                   -2 :              -0.00003315532631
                   -1 :              -0.00002733548409
                   +0 :               0.00004381977046
                   +1 :               0.00001782625866
                   +2 :               0.00002464142663
              7 vec=     7.570358     -7.607596     10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00004661786967
                2p
                   -1 :              -0.00001955471541
                   +0 :               0.00002547546773
                   +1 :              -0.00004384582115
                3s
                   +0 :               0.00014404479893
                4s
                   +0 :              -0.00001117726030
                3p
                   -1 :              -0.00009841480232
                   +0 :               0.00001486209480
                   +1 :               0.00020913180682
                4p
                   -1 :              -0.00001370365565
                   +0 :               0.00000679865595
                   +1 :              -0.00006942516819
                3d
                   -2 :              -0.00003689722771
                   -1 :              -0.00003389890249
                   +0 :              -0.00000215927059
                   +1 :               0.00001435002669
                   +2 :              -0.00001014718599
              8 vec=    -7.989968     -7.607596     10.693237   |vec|=   15.364258
                2s
                   +0 :              -0.00009299336079
                2p
                   -1 :               0.00000779722088
                   +0 :              -0.00006842111425
                   +1 :               0.00002215984545
                3s
                   +0 :               0.00017435618602
                4s
                   +0 :              -0.00012913540898
                3p
                   -1 :               0.00014479471486
                   +0 :               0.00027917881423
                   +1 :              -0.00012368641488
                4p
                   -1 :              -0.00001065549365
                   +0 :              -0.00011190484357
                   +1 :               0.00002960289635
                3d
                   -2 :               0.00000367538120
                   -1 :               0.00002379962336
                   +0 :               0.00001752980840
                   +1 :              -0.00002124244074
                   +2 :               0.00005085018235
              9 vec=     7.570358      1.376162    -13.854306   |vec|=   15.847584
                2s
                   +0 :               0.00007335954692
                2p
                   -1 :              -0.00000913407287
                   +0 :               0.00000649489165
                   +1 :               0.00002048315930
                3s
                   +0 :              -0.00018616348898
                4s
                   +0 :               0.00001245995507
                3p
                   -1 :               0.00006576594372
                   +0 :              -0.00011228542752
                   +1 :              -0.00009999532551
                4p
                   -1 :              -0.00002721865047
                   +0 :               0.00007051211147
                   +1 :              -0.00000219146316
                3d
                   -2 :              -0.00001823114654
                   -1 :              -0.00000402484054
                   +0 :               0.00005314506444
                   +1 :              -0.00003170534781
                   +2 :              -0.00004461213022
             10 vec=    -7.989968      1.376162    -13.854306   |vec|=   16.052264
                2s
                   +0 :              -0.00001350878461
                2p
                   -1 :              -0.00001556700406
                   +0 :               0.00002555641503
                   +1 :              -0.00000971162363
                3s
                   +0 :               0.00001117928597
                4s
                   +0 :               0.00002797670012
                3p
                   -1 :               0.00004181428890
                   +0 :              -0.00008705350679
                   +1 :               0.00003601234508
                4p
                   -1 :               0.00000370950127
                   +0 :              -0.00000111349165
                   +1 :              -0.00000537087273
                3d
                   -2 :              -0.00001486987366
                   -1 :               0.00004387319448
                   +0 :              -0.00000338302167
                   +1 :               0.00002317418467
                   +2 :              -0.00004502308481
             11 vec=    -0.209805    -12.099475     10.693237   |vec|=   16.148889
                2s
                   +0 :               0.00001755623405
                2p
                   -1 :              -0.00001396629167
                   +0 :               0.00002653725793
                   +1 :               0.00002616762022
                3s
                   +0 :              -0.00005042138576
                4s
                   +0 :               0.00001306356370
                3p
                   -1 :               0.00005362166061
                   +0 :              -0.00012550456736
                   +1 :              -0.00012576210326
                4p
                   -1 :              -0.00000754847500
                   +0 :               0.00003487515027
                   +1 :               0.00003804659318
                3d
                   -2 :               0.00001434322823
                   -1 :               0.00003183674791
                   +0 :              -0.00001803904994
                   +1 :              -0.00000611313360
                   +2 :              -0.00000258843739
             12 vec=     7.570358     10.359920     10.693237   |vec|=   16.702801
                2s
                   +0 :               0.00005605709901
                2p
                   -1 :               0.00003488589562
                   +0 :               0.00006197856836
                   +1 :              -0.00001696391092
                3s
                   +0 :              -0.00013191295226
                4s
                   +0 :               0.00007330300320
                3p
                   -1 :              -0.00014226217527
                   +0 :              -0.00026645447325
                   +1 :               0.00010721085647
                4p
                   -1 :               0.00004642675319
                   +0 :               0.00008119122011
                   +1 :              -0.00000944130260
                3d
                   -2 :               0.00001305601399
                   -1 :              -0.00003467653642
                   +0 :              -0.00005295907470
                   +1 :               0.00000883977570
                   +2 :               0.00009601366223
             13 vec=    -7.989968     10.359920     10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00008335427186
                2p
                   -1 :              -0.00001403816871
                   +0 :               0.00002434051092
                   +1 :              -0.00003321799414
                3s
                   +0 :              -0.00045988905177
                4s
                   +0 :               0.00014778081515
                3p
                   -1 :               0.00003216062355
                   +0 :              -0.00020829517143
                   +1 :               0.00022942884880
                4p
                   -1 :              -0.00002055363190
                   +0 :               0.00004911821616
                   +1 :              -0.00004968722289
                3d
                   -2 :              -0.00000604595007
                   -1 :              -0.00001416437856
                   +0 :              -0.00002959596344
                   +1 :               0.00004335351181
                   +2 :              -0.00003020829180
             14 vec=     7.570358     -7.607596    -13.854306   |vec|=   17.525057
                2s
                   +0 :               0.00000712658990
                2p
                   -1 :              -0.00000989759256
                   +0 :               0.00000527999184
                   +1 :               0.00000643942672
                3s
                   +0 :               0.00019690753855
                4s
                   +0 :              -0.00001650083029
                3p
                   -1 :              -0.00003527488979
                   +0 :              -0.00010328647447
                   +1 :               0.00013762942378
                4p
                   -1 :              -0.00000419152772
                   +0 :               0.00004438431187
                   +1 :               0.00001199408808
                3d
                   -2 :              -0.00004264954341
                   -1 :              -0.00000681124479
                   +0 :              -0.00002214210510
                   +1 :              -0.00001635237793
                   +2 :               0.00003596548999
             15 vec=    -7.989968     -7.607596    -13.854306   |vec|=   17.710361
                2s
                   +0 :               0.00002707883416
                2p
                   -1 :              -0.00000669175982
                   +0 :               0.00001792776165
                   +1 :              -0.00000720834772
                3s
                   +0 :              -0.00021556843534
                4s
                   +0 :               0.00003118136579
                3p
                   -1 :               0.00011442587077
                   +0 :              -0.00007910554580
                   +1 :               0.00010485102029
                4p
                   -1 :              -0.00000564539356
                   +0 :               0.00002617715215
                   +1 :              -0.00000915476840
                3d
                   -2 :              -0.00004314733831
                   -1 :              -0.00000850416171
                   +0 :               0.00004215888418
                   +1 :               0.00001019659120
                   +2 :               0.00001632800794
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al(  2)  npairs=  13
              1 vec=    -0.209805     -3.115717     -6.601980   |vec|=    7.303276
                2s
                   +0 :               0.00290000146535
                2p
                   -1 :              -0.00060054115574
                   +0 :              -0.00099655264542
                   +1 :               0.00036232850757
                3s
                   +0 :              -0.00986119015000
                4s
                   +0 :               0.00338504118471
                3p
                   -1 :               0.00166022903337
                   +0 :               0.00432302167401
                   +1 :              -0.00811797136429
                4p
                   -1 :               0.00010737310039
                   +0 :              -0.00105360588690
                   +1 :               0.00072826848730
                3d
                   -2 :               0.00135397135259
                   -1 :              -0.00044584163888
                   +0 :              -0.00018983305613
                   +1 :               0.00213192468975
                   +2 :              -0.00039792698353
              2 vec=    -0.209805      5.868041     -6.601980   |vec|=    8.835387
                2s
                   +0 :               0.00064364328030
                2p
                   -1 :               0.00035815616264
                   +0 :               0.00001548630746
                   +1 :              -0.00081169391833
                3s
                   +0 :              -0.00539443778368
                4s
                   +0 :               0.00241414691620
                3p
                   -1 :              -0.00412163400608
                   +0 :               0.00166236335576
                   +1 :               0.00501407554220
                4p
                   -1 :               0.00126323874599
                   +0 :              -0.00067124276253
                   +1 :              -0.00185122228241
                3d
                   -2 :               0.00163203461473
                   -1 :               0.00074986774476
                   +0 :              -0.00007935747830
                   +1 :              -0.00080806103856
                   +2 :               0.00078866435756
              3 vec=     7.570358      1.376162     -6.601980   |vec|=   10.138554
                2s
                   +0 :              -0.00018099047665
                2p
                   -1 :              -0.00027024454699
                   +0 :              -0.00026136194685
                   +1 :              -0.00045147059066
                3s
                   +0 :               0.00246225405445
                4s
                   +0 :              -0.00129635892155
                3p
                   -1 :               0.00231099789003
                   +0 :               0.00074856877614
                   +1 :               0.00323667790127
                4p
                   -1 :              -0.00041084204764
                   +0 :               0.00009146262438
                   +1 :              -0.00123992778681
                3d
                   -2 :               0.00040589157902
                   -1 :              -0.00048356667318
                   +0 :              -0.00010004387649
                   +1 :              -0.00010105341729
                   +2 :               0.00050232193553
              4 vec=    -7.989968      1.376162     -6.601980   |vec|=   10.455599
                2s
                   +0 :               0.00153325014401
                2p
                   -1 :              -0.00009332510138
                   +0 :              -0.00040775531079
                   +1 :              -0.00044512337084
                3s
                   +0 :              -0.00625656888038
                4s
                   +0 :               0.00194151708426
                3p
                   -1 :               0.00008259842489
                   +0 :               0.00247962081409
                   +1 :               0.00259528657436
                4p
                   -1 :              -0.00015301923163
                   +0 :              -0.00065989913113
                   +1 :              -0.00060399162894
                3d
                   -2 :              -0.00026622910351
                   -1 :              -0.00011219859251
                   +0 :              -0.00047047210986
                   +1 :              -0.00033340261017
                   +2 :              -0.00044286375864
              5 vec=     7.570358     -7.607596     -6.601980   |vec|=   12.600475
                2s
                   +0 :               0.00048195146368
                2p
                   -1 :              -0.00004913353861
                   +0 :              -0.00027953612928
                   +1 :               0.00028357857488
                3s
                   +0 :              -0.00159996827534
                4s
                   +0 :               0.00068951510916
                3p
                   -1 :               0.00022337244698
                   +0 :               0.00136231089057
                   +1 :              -0.00141235494590
                4p
                   -1 :              -0.00005497477428
                   +0 :              -0.00040820015743
                   +1 :               0.00040992207858
                3d
                   -2 :               0.00001394865712
                   -1 :              -0.00008149065227
                   +0 :              -0.00003950419737
                   +1 :               0.00028259312260
                   +2 :              -0.00012735861247
              6 vec=    -7.989968     -7.607596     -6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00017124475457
                2p
                   -1 :              -0.00001149860708
                   +0 :              -0.00014707823976
                   +1 :              -0.00000716957613
                3s
                   +0 :              -0.00112259517079
                4s
                   +0 :               0.00020794098497
                3p
                   -1 :               0.00022244784976
                   +0 :               0.00108137013721
                   +1 :               0.00011574442144
                4p
                   -1 :              -0.00007120893716
                   +0 :              -0.00021430444304
                   +1 :               0.00014218998385
                3d
                   -2 :              -0.00006671757209
                   -1 :              -0.00015983422879
                   +0 :              -0.00021268216316
                   +1 :              -0.00022161770175
                   +2 :               0.00007945233865
              7 vec=    -0.209805    -12.099475     -6.601980   |vec|=   13.785044
                2s
                   +0 :               0.00001354215165
                2p
                   -1 :               0.00000143262452
                   +0 :               0.00004099583498
                   +1 :               0.00009020702354
                3s
                   +0 :              -0.00018984615628
                4s
                   +0 :               0.00006418337233
                3p
                   -1 :               0.00007495191317
                   +0 :              -0.00017572050127
                   +1 :              -0.00041256673269
                4p
                   -1 :              -0.00000291555926
                   +0 :               0.00002405661823
                   +1 :               0.00009788111154
                3d
                   -2 :              -0.00003086860771
                   -1 :               0.00002487822017
                   +0 :              -0.00003559592517
                   +1 :               0.00015436519389
                   +2 :               0.00002102536607
              8 vec=     7.570358     10.359920     -6.601980   |vec|=   14.429982
                2s
                   +0 :              -0.00012371011216
                2p
                   -1 :              -0.00003378827601
                   +0 :               0.00011091634167
                   +1 :              -0.00003858022138
                3s
                   +0 :               0.00078638525219
                4s
                   +0 :              -0.00033268866291
                3p
                   -1 :               0.00046126479350
                   +0 :              -0.00064904474714
                   +1 :               0.00031164282225
                4p
                   -1 :              -0.00019007008304
                   +0 :               0.00015481719893
                   +1 :              -0.00011608079692
                3d
                   -2 :               0.00010694735169
                   -1 :              -0.00005285933607
                   +0 :               0.00002197569457
                   +1 :              -0.00003992153154
                   +2 :              -0.00002388852580
              9 vec=    -7.989968     10.359920     -6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00009596304654
                2p
                   -1 :              -0.00002437005296
                   +0 :               0.00000399647730
                   +1 :               0.00001303277131
                3s
                   +0 :               0.00015953380411
                4s
                   +0 :               0.00003036527706
                3p
                   -1 :               0.00013710507574
                   +0 :               0.00009674166202
                   +1 :               0.00002532432432
                4p
                   -1 :              -0.00002988253269
                   +0 :              -0.00006818588124
                   +1 :              -0.00004519103641
                3d
                   -2 :               0.00007481009452
                   -1 :              -0.00002785705429
                   +0 :              -0.00009823914541
                   +1 :               0.00003550098633
                   +2 :              -0.00007005229001
             10 vec=    -0.209805     14.851799     -6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00002746065672
                2p
                   -1 :               0.00000493667482
                   +0 :               0.00002112010630
                   +1 :              -0.00002501262230
                3s
                   +0 :              -0.00005294085376
                4s
                   +0 :               0.00002340027955
                3p
                   -1 :              -0.00000371508127
                   +0 :              -0.00010149304201
                   +1 :               0.00012168948552
                4p
                   -1 :               0.00000229467586
                   +0 :               0.00000277914352
                   +1 :              -0.00002210137449
                3d
                   -2 :               0.00006170187076
                   -1 :              -0.00003408817335
                   +0 :              -0.00000554777659
                   +1 :              -0.00000729188230
                   +2 :               0.00000301654020
             11 vec=    15.350520     -3.115717     -6.601980   |vec|=   16.998009
                2s
                   +0 :              -0.00008877379484
                2p
                   -1 :               0.00001433897476
                   +0 :               0.00002341098134
                   +1 :              -0.00001761851260
                3s
                   +0 :               0.00055860118185
                4s
                   +0 :              -0.00011368800648
                3p
                   -1 :              -0.00012977015779
                   +0 :              -0.00025943680059
                   +1 :               0.00019221345027
                4p
                   -1 :               0.00000442863592
                   +0 :               0.00004151157946
                   +1 :              -0.00001087879858
                3d
                   -2 :              -0.00003081472070
                   -1 :               0.00002378267876
                   +0 :               0.00003308446456
                   +1 :              -0.00006758040806
                   +2 :               0.00004795967731
             12 vec=   -15.770130     -3.115717     -6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00001099276624
                2p
                   -1 :              -0.00000882174068
                   +0 :               0.00000452221664
                   +1 :               0.00003400159104
                3s
                   +0 :              -0.00020020013061
                4s
                   +0 :               0.00002232646294
                3p
                   -1 :               0.00009247530633
                   +0 :               0.00004638166125
                   +1 :              -0.00010762146799
                4p
                   -1 :              -0.00002480633724
                   +0 :               0.00000238084880
                   +1 :               0.00004445175685
                3d
                   -2 :              -0.00003325074979
                   -1 :              -0.00000925667302
                   +0 :              -0.00000414881140
                   +1 :               0.00000395852921
                   +2 :               0.00000531740858
             13 vec=    15.350520      5.868041     -6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00003885554285
                2p
                   -1 :              -0.00002909197517
                   +0 :              -0.00000292554007
                   +1 :               0.00001711958568
                3s
                   +0 :               0.00020135615249
                4s
                   +0 :              -0.00006175084227
                3p
                   -1 :               0.00015632675404
                   +0 :              -0.00000220003522
                   +1 :              -0.00007896828260
                4p
                   -1 :              -0.00004059618029
                   +0 :               0.00000429844251
                   +1 :               0.00002657772215
                3d
                   -2 :              -0.00000377649054
                   -1 :              -0.00000627727667
                   +0 :               0.00002335334400
                   +1 :               0.00002845809147
                   +2 :               0.00001176732258
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Cr(  3)  npairs=  14
              1 vec=    -0.209805     -3.115717      5.671791   |vec|=    6.474637
                3s
                   +0 :               0.00025099688379
                3p
                   -1 :               0.00069622426834
                   +0 :              -0.00007084134922
                   +1 :              -0.00090882682463
                4s
                   +0 :              -0.00122821462138
                5s
                   +0 :               0.00081520912378
                3d
                   -2 :              -0.00187613644165
                   -1 :               0.00050868911890
                   +0 :              -0.00060555126657
                   +1 :              -0.00092011279573
                   +2 :               0.00015664907003
                4d
                   -2 :               0.00125878860654
                   -1 :               0.00016504073872
                   +0 :              -0.00018751925354
                   +1 :              -0.00091860553423
                   +2 :               0.00040140008886
                4p
                   -1 :              -0.00088981039282
                   +0 :              -0.00062719622962
                   +1 :               0.00054017406543
              2 vec=    -0.209805      5.868041      5.671791   |vec|=    8.163770
                3s
                   +0 :               0.00154377822270
                3p
                   -1 :               0.00056805167634
                   +0 :               0.00067255141835
                   +1 :               0.00068023112146
                4s
                   +0 :              -0.00191524552060
                5s
                   +0 :              -0.00019217429766
                3d
                   -2 :              -0.00301283219211
                   -1 :               0.00049386723488
                   +0 :              -0.00042595518484
                   +1 :              -0.00082733380356
                   +2 :              -0.00157757975725
                4d
                   -2 :              -0.00075790897979
                   -1 :              -0.00091541781463
                   +0 :              -0.00022716145590
                   +1 :              -0.00069475928730
                   +2 :               0.00025727418148
                4p
                   -1 :              -0.00040353917604
                   +0 :              -0.00169573255640
                   +1 :              -0.00231837952707
              3 vec=     7.570358      1.376162      5.671791   |vec|=    9.558941
                3s
                   +0 :              -0.00096381188177
                3p
                   -1 :               0.00089328714762
                   +0 :              -0.00074365272713
                   +1 :              -0.00010844077586
                4s
                   +0 :               0.00095789137374
                5s
                   +0 :              -0.00001827520655
                3d
                   -2 :               0.00087883998999
                   -1 :               0.00096620919528
                   +0 :              -0.00057777539554
                   +1 :               0.00005191621709
                   +2 :               0.00119186821942
                4d
                   -2 :              -0.00059862367432
                   -1 :              -0.00076172530825
                   +0 :              -0.00024067889046
                   +1 :              -0.00002126454442
                   +2 :              -0.00053989963577
                4p
                   -1 :              -0.00217243714141
                   +0 :               0.00076028302829
                   +1 :               0.00003350179938
              4 vec=    -7.989968      1.376162      5.671791   |vec|=    9.894576
                3s
                   +0 :               0.00272688528988
                3p
                   -1 :              -0.00178462817733
                   +0 :               0.00056784054565
                   +1 :              -0.00170722957507
                4s
                   +0 :              -0.00391718072111
                5s
                   +0 :               0.00007189258947
                3d
                   -2 :               0.00221791588167
                   -1 :              -0.00108110928550
                   +0 :              -0.00121902353556
                   +1 :              -0.00022614508779
                   +2 :              -0.00002863963690
                4d
                   -2 :              -0.00159279074431
                   -1 :               0.00094156100472
                   +0 :               0.00102368173204
                   +1 :               0.00017941672279
                   +2 :              -0.00015634198194
                4p
                   -1 :               0.00352858066209
                   +0 :              -0.00061737707463
                   +1 :               0.00272749675880
              5 vec=     7.570358     -7.607596      5.671791   |vec|=   12.138989
                3s
                   +0 :              -0.00027138551072
                3p
                   -1 :               0.00011578421020
                   +0 :              -0.00028878153682
                   +1 :              -0.00020326308573
                4s
                   +0 :               0.00051377140567
                5s
                   +0 :              -0.00016370682171
                3d
                   -2 :               0.00008821650700
                   -1 :               0.00043832875031
                   +0 :              -0.00041330013474
                   +1 :              -0.00073971458623
                   +2 :              -0.00004649692019
                4d
                   -2 :              -0.00015267054299
                   -1 :              -0.00014490293917
                   +0 :               0.00000273174602
                   +1 :               0.00022299324293
                   +2 :              -0.00011954566520
                4p
                   -1 :              -0.00025118006740
                   +0 :               0.00023242294990
                   +1 :               0.00017623468592
              6 vec=    -7.989968     -7.607596      5.671791   |vec|=   12.405012
                3s
                   +0 :               0.00040891309100
                3p
                   -1 :              -0.00026349521638
                   +0 :               0.00022427854473
                   +1 :              -0.00038194429601
                4s
                   +0 :              -0.00052676126204
                5s
                   +0 :               0.00002953767787
                3d
                   -2 :               0.00052183763711
                   -1 :              -0.00031027734042
                   +0 :              -0.00007540063457
                   +1 :              -0.00040512652278
                   +2 :               0.00020842416443
                4d
                   -2 :              -0.00029087478970
                   -1 :               0.00026863420926
                   +0 :               0.00002089790991
                   +1 :               0.00026804951167
                   +2 :               0.00003549046866
                4p
                   -1 :               0.00041038876391
                   +0 :              -0.00027867190522
                   +1 :               0.00027853025505
              7 vec=    -0.209805    -12.099475      5.671791   |vec|=   13.364525
                3s
                   +0 :               0.00003661662220
                3p
                   -1 :              -0.00001957844088
                   +0 :               0.00008314064215
                   +1 :               0.00000283015714
                4s
                   +0 :              -0.00005245748878
                5s
                   +0 :              -0.00001930297891
                3d
                   -2 :              -0.00012665805699
                   -1 :              -0.00013297110999
                   +0 :              -0.00007990041868
                   +1 :               0.00038010188770
                   +2 :               0.00001772660564
                4d
                   -2 :              -0.00012568145878
                   -1 :               0.00006939635532
                   +0 :               0.00002492007934
                   +1 :               0.00003379784214
                   +2 :              -0.00004572235510
                4p
                   -1 :               0.00004062254428
                   +0 :              -0.00014060313522
                   +1 :               0.00008444427133
              8 vec=     7.570358     10.359920      5.671791   |vec|=   14.028809
                3s
                   +0 :              -0.00086351572080
                3p
                   -1 :              -0.00050322921914
                   +0 :              -0.00019973456047
                   +1 :              -0.00001316891789
                4s
                   +0 :               0.00142329185254
                5s
                   +0 :              -0.00007145153381
                3d
                   -2 :               0.00009184306583
                   -1 :              -0.00079169880869
                   +0 :               0.00002952047951
                   +1 :               0.00003158186298
                   +2 :               0.00065414524635
                4d
                   -2 :              -0.00006129795944
                   -1 :               0.00039296276268
                   +0 :              -0.00002846951960
                   +1 :              -0.00000072121635
                   +2 :              -0.00030050039761
                4p
                   -1 :               0.00069944664922
                   +0 :               0.00031891088375
                   +1 :               0.00000012918617
              9 vec=    -7.989968     10.359920      5.671791   |vec|=   14.259619
                3s
                   +0 :               0.00015477534252
                3p
                   -1 :               0.00006141691319
                   +0 :               0.00009476704554
                   +1 :              -0.00005605023119
                4s
                   +0 :              -0.00049081649456
                5s
                   +0 :               0.00014585729688
                3d
                   -2 :               0.00008660159854
                   -1 :               0.00028422157143
                   +0 :               0.00005034759016
                   +1 :               0.00002786233028
                   +2 :              -0.00021433441724
                4d
                   -2 :               0.00009597823705
                   -1 :              -0.00001871517118
                   +0 :               0.00011587878121
                   +1 :               0.00009204514009
                   +2 :               0.00005763806097
                4p
                   -1 :              -0.00013437037828
                   +0 :              -0.00011418089789
                   +1 :               0.00022598686793
             10 vec=    -0.209805     14.851799      5.671791   |vec|=   15.899345
                3s
                   +0 :               0.00016414902383
                3p
                   -1 :               0.00008398357822
                   +0 :               0.00005377113885
                   +1 :              -0.00003512814074
                4s
                   +0 :              -0.00034426522189
                5s
                   +0 :               0.00002326268448
                3d
                   -2 :               0.00000030942891
                   -1 :               0.00004081914574
                   +0 :               0.00004377563049
                   +1 :              -0.00008007697684
                   +2 :               0.00003500078811
                4d
                   -2 :               0.00000642573220
                   -1 :              -0.00008011889563
                   +0 :               0.00002147400228
                   +1 :               0.00004537910258
                   +2 :               0.00008310096973
                4p
                   -1 :              -0.00021314494410
                   +0 :              -0.00010358896453
                   +1 :               0.00005160254099
             11 vec=    15.350520     -3.115717      5.671791   |vec|=   16.658793
                3s
                   +0 :              -0.00014998352815
                3p
                   -1 :               0.00005891472557
                   +0 :              -0.00005346749477
                   +1 :              -0.00011075056632
                4s
                   +0 :               0.00017283750514
                5s
                   +0 :              -0.00000503039690
                3d
                   -2 :               0.00038131263963
                   -1 :               0.00016754563336
                   +0 :               0.00016719572349
                   +1 :              -0.00026790479857
                   +2 :              -0.00021272463261
                4d
                   -2 :              -0.00006468123911
                   -1 :              -0.00004843271167
                   +0 :              -0.00001119163740
                   +1 :               0.00009549191852
                   +2 :               0.00006499362596
                4p
                   -1 :              -0.00006231823308
                   +0 :               0.00009829602143
                   +1 :               0.00011564563494
             12 vec=   -15.770130     -3.115717      5.671791   |vec|=   17.046229
                3s
                   +0 :               0.00018337841048
                3p
                   -1 :              -0.00006578564026
                   +0 :               0.00009344284857
                   +1 :              -0.00009884989822
                4s
                   +0 :              -0.00039506118978
                5s
                   +0 :               0.00006107190490
                3d
                   -2 :               0.00016551133324
                   -1 :              -0.00015789513186
                   +0 :              -0.00002016474275
                   +1 :              -0.00025816231074
                   +2 :               0.00018523316696
                4d
                   -2 :              -0.00009315964023
                   -1 :               0.00009385153398
                   +0 :              -0.00002670074809
                   +1 :               0.00017254864950
                   +2 :              -0.00006665118189
                4p
                   -1 :               0.00011243098055
                   +0 :              -0.00018876581927
                   +1 :               0.00021240026295
             13 vec=    15.350520      5.868041      5.671791   |vec|=   17.385097
                3s
                   +0 :               0.00000145731080
                3p
                   -1 :              -0.00001071884632
                   +0 :              -0.00004246366633
                   +1 :               0.00001040627267
                4s
                   +0 :              -0.00001594688861
                5s
                   +0 :              -0.00000084335757
                3d
                   -2 :               0.00005916427268
                   -1 :              -0.00005112960336
                   +0 :               0.00004524083474
                   +1 :              -0.00003790584982
                   +2 :               0.00004743370120
                4d
                   -2 :              -0.00001039919577
                   -1 :               0.00000722092019
                   +0 :              -0.00003336832841
                   +1 :              -0.00000196729674
                   +2 :              -0.00000415807251
                4p
                   -1 :               0.00001614990588
                   +0 :               0.00005958359233
                   +1 :              -0.00001538566696
             14 vec=   -15.770130      5.868041      5.671791   |vec|=   17.756693
                3s
                   +0 :               0.00002358430451
                3p
                   -1 :              -0.00005544432401
                   +0 :              -0.00003221604770
                   +1 :              -0.00004196758532
                4s
                   +0 :              -0.00000378523093
                5s
                   +0 :               0.00000061592974
                3d
                   -2 :               0.00005941400815
                   -1 :              -0.00005602152619
                   +0 :               0.00001773006111
                   +1 :              -0.00003012240981
                   +2 :               0.00008353079843
                4d
                   -2 :              -0.00002075404575
                   -1 :               0.00007434311902
                   +0 :              -0.00001774174379
                   +1 :               0.00002018618871
                   +2 :              -0.00009561131755
                4p
                   -1 :               0.00010507846768
                   +0 :               0.00005163566809
                   +1 :               0.00005261888612
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al(  4)  npairs=  14
              1 vec=    -0.209805     -3.115717     -1.580534   |vec|=    3.499971
                2s
                   +0 :              -0.00183207260005
                2p
                   -1 :               0.00280967408115
                   +0 :               0.00181234556181
                   +1 :              -0.00746634598065
                3s
                   +0 :              -0.01887462092635
                4s
                   +0 :               0.00360768003791
                3p
                   -1 :               0.01649145606151
                   +0 :               0.00247118806360
                   +1 :              -0.03930174487043
                4p
                   -1 :              -0.00028470600881
                   +0 :               0.00064600252034
                   +1 :              -0.00152086953417
                3d
                   -2 :               0.03265264321660
                   -1 :              -0.00605931270951
                   +0 :               0.00161179564008
                   +1 :               0.01774449620528
                   +2 :               0.00982362373916
              2 vec=    -0.209805      5.868041     -1.580534   |vec|=    6.080790
                2s
                   +0 :              -0.00072996552934
                2p
                   -1 :              -0.00154757652515
                   +0 :              -0.00080409742367
                   +1 :               0.00077284314349
                3s
                   +0 :               0.00505721503274
                4s
                   +0 :              -0.00148740482240
                3p
                   -1 :               0.00480331586197
                   +0 :               0.00558390238551
                   +1 :              -0.00384776518009
                4p
                   -1 :              -0.00188374468894
                   +0 :              -0.00184934076581
                   +1 :               0.00208248024262
                3d
                   -2 :               0.00232461035725
                   -1 :               0.00120523733867
                   +0 :               0.00026177093629
                   +1 :              -0.00032175021099
                   +2 :               0.00208175559019
              3 vec=     7.570358      1.376162     -1.580534   |vec|=    7.855076
                2s
                   +0 :               0.00001669183194
                2p
                   -1 :              -0.00001134026999
                   +0 :               0.00028559456264
                   +1 :              -0.00063588715786
                3s
                   +0 :               0.01597684812102
                4s
                   +0 :              -0.00019549418054
                3p
                   -1 :               0.00831697572981
                   +0 :              -0.01148259759700
                   +1 :               0.00621225952898
                4p
                   -1 :               0.00016936972318
                   +0 :               0.00067665805755
                   +1 :              -0.00018671778961
                3d
                   -2 :               0.00336390241802
                   -1 :              -0.00281988550764
                   +0 :               0.00114463983642
                   +1 :              -0.00371838370779
                   +2 :              -0.00138673639130
              4 vec=    -7.989968      1.376162     -1.580534   |vec|=    8.260236
                2s
                   +0 :               0.00061494368945
                2p
                   -1 :               0.00081733083161
                   +0 :              -0.00032060206134
                   +1 :               0.00096961251522
                3s
                   +0 :              -0.00963244811250
                4s
                   +0 :               0.00147601924755
                3p
                   -1 :              -0.01054738455333
                   +0 :               0.00768079230551
                   +1 :              -0.00463451592258
                4p
                   -1 :               0.00132167019150
                   +0 :              -0.00099707089880
                   +1 :               0.00095053316120
                3d
                   -2 :               0.00122672676164
                   -1 :               0.00393469672014
                   +0 :              -0.00126904328753
                   +1 :              -0.00075661759372
                   +2 :               0.00387696207480
              5 vec=     7.570358     -7.607596     -1.580534   |vec|=   10.848222
                2s
                   +0 :              -0.00012519231736
                2p
                   -1 :               0.00020564929070
                   +0 :               0.00009998477181
                   +1 :               0.00013531723105
                3s
                   +0 :               0.00198561420163
                4s
                   +0 :              -0.00025128372424
                3p
                   -1 :              -0.00205022365860
                   +0 :              -0.00103590441295
                   +1 :              -0.00055645166611
                4p
                   -1 :               0.00028448609392
                   +0 :               0.00006119984241
                   +1 :               0.00005432423627
                3d
                   -2 :               0.00008156173926
                   -1 :               0.00034048534185
                   +0 :              -0.00009925406947
                   +1 :              -0.00002428131647
                   +2 :              -0.00043485154832
              6 vec=    -7.989968     -7.607596     -1.580534   |vec|=   11.145097
                2s
                   +0 :               0.00060899076375
                2p
                   -1 :              -0.00001156698734
                   +0 :               0.00007907722516
                   +1 :              -0.00024727447731
                3s
                   +0 :              -0.00397077764836
                4s
                   +0 :               0.00085297421896
                3p
                   -1 :               0.00150286024036
                   +0 :               0.00052594911156
                   +1 :               0.00190843193998
                4p
                   -1 :              -0.00001977176654
                   +0 :              -0.00003800646035
                   +1 :              -0.00047166082567
                3d
                   -2 :              -0.00040464608321
                   -1 :              -0.00046235567546
                   +0 :              -0.00005762459332
                   +1 :               0.00006101316957
                   +2 :              -0.00009871207200
              7 vec=    -0.209805    -12.099475     -1.580534   |vec|=   12.204073
                2s
                   +0 :               0.00015160218630
                2p
                   -1 :              -0.00013441105258
                   +0 :              -0.00017177770576
                   +1 :               0.00005525843642
                3s
                   +0 :              -0.00014206201439
                4s
                   +0 :               0.00006771050150
                3p
                   -1 :               0.00037839830846
                   +0 :               0.00062445979576
                   +1 :               0.00000935717712
                4p
                   -1 :              -0.00012186869941
                   +0 :              -0.00014642752015
                   +1 :               0.00008162045232
                3d
                   -2 :              -0.00025643491385
                   -1 :              -0.00009766710770
                   +0 :               0.00005117071750
                   +1 :              -0.00002589561610
                   +2 :               0.00007642914641
              8 vec=     7.570358     10.359920     -1.580534   |vec|=   12.928122
                2s
                   +0 :              -0.00031710559566
                2p
                   -1 :               0.00002015373913
                   +0 :              -0.00005656653883
                   +1 :               0.00012432633221
                3s
                   +0 :               0.00180965073987
                4s
                   +0 :              -0.00024467585521
                3p
                   -1 :              -0.00027591133600
                   +0 :              -0.00071186335903
                   +1 :               0.00017311080967
                4p
                   -1 :               0.00005614024830
                   +0 :               0.00007570274085
                   +1 :               0.00020562807548
                3d
                   -2 :              -0.00030351160292
                   -1 :               0.00007197700741
                   +0 :               0.00008341754053
                   +1 :              -0.00046637394252
                   +2 :               0.00022119655513
              9 vec=    -7.989968     10.359920     -1.580534   |vec|=   13.178225
                2s
                   +0 :               0.00023743456333
                2p
                   -1 :               0.00005604871902
                   +0 :              -0.00010081383465
                   +1 :               0.00009856070124
                3s
                   +0 :              -0.00220200541165
                4s
                   +0 :               0.00009705978364
                3p
                   -1 :              -0.00042741172328
                   +0 :               0.00178089071522
                   +1 :               0.00063514250648
                4p
                   -1 :              -0.00006264683817
                   +0 :              -0.00030928455723
                   +1 :               0.00017261685753
                3d
                   -2 :               0.00008536976333
                   -1 :               0.00040003694456
                   +0 :              -0.00021165541577
                   +1 :              -0.00066383387718
                   +2 :              -0.00022070597851
             10 vec=    -0.209805     14.851799     -1.580534   |vec|=   14.937136
                2s
                   +0 :              -0.00004376608111
                2p
                   -1 :              -0.00005605174137
                   +0 :              -0.00000128209513
                   +1 :              -0.00001790015554
                3s
                   +0 :               0.00032705905898
                4s
                   +0 :              -0.00018739475333
                3p
                   -1 :               0.00047041810515
                   +0 :              -0.00002364122266
                   +1 :              -0.00008099031733
                4p
                   -1 :              -0.00016662691201
                   +0 :               0.00001668760963
                   +1 :              -0.00002455766407
                3d
                   -2 :               0.00000516385763
                   -1 :              -0.00003232508090
                   +0 :               0.00000244052984
                   +1 :               0.00010041789378
                   +2 :              -0.00006185605118
             11 vec=    15.350520     -3.115717     -1.580534   |vec|=   15.743070
                2s
                   +0 :              -0.00015497370420
                2p
                   -1 :               0.00001678189840
                   +0 :               0.00004410629419
                   +1 :              -0.00009785048391
                3s
                   +0 :               0.00054050450195
                4s
                   +0 :              -0.00021164985778
                3p
                   -1 :              -0.00018646066403
                   +0 :              -0.00030508794019
                   +1 :               0.00052006928610
                4p
                   -1 :               0.00005995304618
                   +0 :               0.00008412078403
                   +1 :              -0.00011894557877
                3d
                   -2 :              -0.00012168950565
                   -1 :               0.00004057155076
                   +0 :              -0.00009695892810
                   +1 :              -0.00008120494003
                   +2 :               0.00007275058856
             12 vec=   -15.770130     -3.115717     -1.580534   |vec|=   16.152486
                2s
                   +0 :               0.00004713075813
                2p
                   -1 :               0.00001997710413
                   +0 :               0.00000989715168
                   +1 :               0.00000777884469
                3s
                   +0 :              -0.00011310874612
                4s
                   +0 :              -0.00008204797351
                3p
                   -1 :              -0.00019828600786
                   +0 :              -0.00003066726050
                   +1 :              -0.00019618398506
                4p
                   -1 :               0.00010628205144
                   +0 :               0.00003961117322
                   +1 :               0.00012604269516
                3d
                   -2 :               0.00007061530802
                   -1 :               0.00000021831272
                   +0 :               0.00003489766621
                   +1 :              -0.00002208229024
                   +2 :              -0.00004056582933
             13 vec=    15.350520      5.868041     -1.580534   |vec|=   16.509708
                2s
                   +0 :              -0.00006878288830
                2p
                   -1 :              -0.00001310964537
                   +0 :               0.00002478578389
                   +1 :              -0.00001390061503
                3s
                   +0 :               0.00026866762852
                4s
                   +0 :              -0.00003874102433
                3p
                   -1 :               0.00003534691868
                   +0 :              -0.00015869294901
                   +1 :               0.00002898528186
                4p
                   -1 :              -0.00000199233135
                   +0 :               0.00001853163671
                   +1 :               0.00000451947570
                3d
                   -2 :              -0.00000111950668
                   -1 :              -0.00004355276192
                   +0 :               0.00000411823642
                   +1 :              -0.00002573594534
                   +2 :               0.00000754723181
             14 vec=   -15.770130      5.868041     -1.580534   |vec|=   16.900562
                2s
                   +0 :               0.00001240371555
                2p
                   -1 :              -0.00000235198205
                   +0 :               0.00001632704735
                   +1 :              -0.00001097787581
                3s
                   +0 :              -0.00032144780217
                4s
                   +0 :               0.00012374044841
                3p
                   -1 :              -0.00006615534652
                   +0 :               0.00002922043183
                   +1 :               0.00023703378558
                4p
                   -1 :               0.00004656702998
                   +0 :               0.00001282347879
                   +1 :              -0.00007199359643
                3d
                   -2 :               0.00001887488000
                   -1 :              -0.00000690871170
                   +0 :               0.00000649651799
                   +1 :              -0.00002734963430
                   +2 :              -0.00001391895673
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al(  5)  npairs=  14
              1 vec=    -2.803193      1.376162     -5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00193655242212
                2p
                   -1 :               0.00040941097190
                   +0 :              -0.00142595611804
                   +1 :              -0.00053778627694
                3s
                   +0 :              -0.00504272164230
                4s
                   +0 :               0.00284676441349
                3p
                   -1 :              -0.00199039687109
                   +0 :               0.00944616730188
                   +1 :               0.00140476442009
                4p
                   -1 :               0.00038366269903
                   +0 :              -0.00402593529611
                   +1 :              -0.00001703100243
                3d
                   -2 :               0.00055509172979
                   -1 :              -0.00005395112642
                   +0 :              -0.00293469105860
                   +1 :              -0.00154993983596
                   +2 :              -0.00144097237710
              2 vec=     4.976970     -3.115717     -5.671873   |vec|=    8.163827
                2s
                   +0 :               0.00005299847456
                2p
                   -1 :              -0.00028652021913
                   +0 :               0.00078018115857
                   +1 :              -0.00006009707464
                3s
                   +0 :               0.00417660648258
                4s
                   +0 :               0.00060482518683
                3p
                   -1 :               0.00132454660746
                   +0 :              -0.00250561414289
                   +1 :               0.00325938233455
                4p
                   -1 :              -0.00094036932139
                   +0 :               0.00092029448660
                   +1 :               0.00006466331248
                3d
                   -2 :              -0.00054271224239
                   -1 :              -0.00051201637650
                   +0 :              -0.00136079503484
                   +1 :              -0.00029298033570
                   +2 :               0.00171155688932
              3 vec=     4.976970      5.868041     -5.671873   |vec|=    9.558990
                2s
                   +0 :              -0.00005250053091
                2p
                   -1 :              -0.00044713358281
                   +0 :              -0.00003318612662
                   +1 :              -0.00075964788844
                3s
                   +0 :               0.00138844761770
                4s
                   +0 :              -0.00078402528474
                3p
                   -1 :               0.00201570877806
                   +0 :              -0.00013012179240
                   +1 :               0.00525554621583
                4p
                   -1 :              -0.00055806987097
                   +0 :               0.00003859947238
                   +1 :              -0.00163814381102
                3d
                   -2 :               0.00075121069989
                   -1 :              -0.00022743480700
                   +0 :               0.00008662727124
                   +1 :              -0.00083742563472
                   +2 :              -0.00017270106741
              4 vec=    -2.803193     -7.607596     -5.671873   |vec|=    9.894622
                2s
                   +0 :              -0.00112169491485
                2p
                   -1 :               0.00049421367703
                   +0 :               0.00033769614339
                   +1 :               0.00043968353684
                3s
                   +0 :               0.00332487412028
                4s
                   +0 :              -0.00111688734776
                3p
                   -1 :              -0.00233286453153
                   +0 :              -0.00107844697848
                   +1 :              -0.00218990474882
                4p
                   -1 :               0.00080239807300
                   +0 :               0.00011972419774
                   +1 :               0.00058358731569
                3d
                   -2 :               0.00049421929305
                   -1 :               0.00030725448370
                   +0 :              -0.00020130552353
                   +1 :               0.00046270564069
                   +2 :               0.00028247432654
              5 vec=    -2.803193     10.359920     -5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00010586309550
                2p
                   -1 :              -0.00004026234791
                   +0 :              -0.00004979725557
                   +1 :              -0.00012991563345
                3s
                   +0 :               0.00011843992669
                4s
                   +0 :               0.00008525110932
                3p
                   -1 :              -0.00008490311968
                   +0 :              -0.00008654934928
                   +1 :               0.00089704752877
                4p
                   -1 :               0.00012824116610
                   +0 :               0.00005157053241
                   +1 :              -0.00031251361586
                3d
                   -2 :               0.00019338058763
                   -1 :              -0.00010115083814
                   +0 :               0.00003088310615
                   +1 :              -0.00012738096734
                   +2 :               0.00000068083695
              6 vec=   -10.583355     -3.115717     -5.671873   |vec|=   12.405049
                2s
                   +0 :              -0.00011233183788
                2p
                   -1 :              -0.00009150143901
                   +0 :               0.00002054853842
                   +1 :               0.00014203532928
                3s
                   +0 :              -0.00021633827592
                4s
                   +0 :              -0.00019664328784
                3p
                   -1 :               0.00094526212257
                   +0 :              -0.00001405223949
                   +1 :              -0.00020784629870
                4p
                   -1 :              -0.00014621551634
                   +0 :               0.00001384433108
                   +1 :               0.00019960893885
                3d
                   -2 :              -0.00020890617578
                   -1 :              -0.00009045569911
                   +0 :               0.00009096171905
                   +1 :               0.00012392649871
                   +2 :               0.00004239797409
              7 vec=   -10.583355      5.868041     -5.671873   |vec|=   13.364560
                2s
                   +0 :              -0.00020058072926
                2p
                   -1 :               0.00000551754128
                   +0 :               0.00001606640521
                   +1 :               0.00002263663379
                3s
                   +0 :               0.00066583471859
                4s
                   +0 :              -0.00019161901496
                3p
                   -1 :              -0.00001358392128
                   +0 :              -0.00007979204227
                   +1 :              -0.00027416157397
                4p
                   -1 :              -0.00002800049095
                   +0 :              -0.00005337503814
                   +1 :               0.00009544607852
                3d
                   -2 :               0.00010016078046
                   -1 :              -0.00006427685778
                   +0 :              -0.00009556982001
                   +1 :              -0.00003406115269
                   +2 :              -0.00001581657139
              8 vec=    12.757133      1.376162     -5.671873   |vec|=   14.028842
                2s
                   +0 :               0.00023938888074
                2p
                   -1 :              -0.00001275630314
                   +0 :              -0.00006341884279
                   +1 :               0.00013955508931
                3s
                   +0 :              -0.00030702161727
                4s
                   +0 :               0.00001094597704
                3p
                   -1 :              -0.00012949611725
                   +0 :               0.00023318214735
                   +1 :              -0.00027803427158
                4p
                   -1 :               0.00002949340039
                   +0 :              -0.00005658677276
                   +1 :               0.00000412570132
                3d
                   -2 :              -0.00003956464162
                   -1 :               0.00002359156373
                   +0 :               0.00002164063712
                   +1 :               0.00018125057914
                   +2 :              -0.00004804619507
              9 vec=     4.976970    -12.099475     -5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00006358919386
                2p
                   -1 :              -0.00001741456069
                   +0 :              -0.00001760298405
                   +1 :               0.00004738771268
                3s
                   +0 :               0.00033682231706
                4s
                   +0 :              -0.00017301709093
                3p
                   -1 :              -0.00003938433309
                   +0 :               0.00007737864568
                   +1 :              -0.00031683019148
                4p
                   -1 :               0.00007277321825
                   +0 :               0.00003133310774
                   +1 :               0.00006980285489
                3d
                   -2 :               0.00016112777973
                   -1 :              -0.00011161483674
                   +0 :              -0.00000219645404
                   +1 :               0.00000930082998
                   +2 :               0.00003098064574
             10 vec=    12.757133     -7.607596     -5.671873   |vec|=   15.899374
                2s
                   +0 :               0.00010990591167
                2p
                   -1 :              -0.00002578844131
                   +0 :               0.00002413807985
                   +1 :               0.00009206990706
                3s
                   +0 :              -0.00030901010521
                4s
                   +0 :               0.00013151583965
                3p
                   -1 :               0.00010382856972
                   +0 :              -0.00022150836818
                   +1 :              -0.00043544356655
                4p
                   -1 :              -0.00001770828873
                   +0 :               0.00008942413919
                   +1 :               0.00011688788079
                3d
                   -2 :               0.00004854140083
                   -1 :               0.00001436098177
                   +0 :               0.00005057920749
                   +1 :               0.00003032137040
                   +2 :              -0.00006807549330
             11 vec=     4.976970     14.851799     -5.671873   |vec|=   16.658821
                2s
                   +0 :               0.00003173255724
                2p
                   -1 :               0.00006060791889
                   +0 :              -0.00005389458266
                   +1 :               0.00000292675957
                3s
                   +0 :              -0.00007600993856
                4s
                   +0 :              -0.00000416019718
                3p
                   -1 :              -0.00027607560266
                   +0 :               0.00026707893133
                   +1 :               0.00000549234577
                4p
                   -1 :               0.00004858772311
                   +0 :              -0.00004187126682
                   +1 :              -0.00001054079800
                3d
                   -2 :              -0.00001719100722
                   -1 :               0.00010333567332
                   +0 :               0.00000134629297
                   +1 :               0.00002568481113
                   +2 :               0.00008389726190
             12 vec=   -10.583355    -12.099475     -5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00004755285683
                2p
                   -1 :              -0.00001030570064
                   +0 :               0.00001176188364
                   +1 :               0.00005083734881
                3s
                   +0 :               0.00005580999219
                4s
                   +0 :              -0.00005629988274
                3p
                   -1 :               0.00006718175977
                   +0 :              -0.00001318195998
                   +1 :              -0.00022638340743
                4p
                   -1 :              -0.00001607253177
                   +0 :               0.00000445709689
                   +1 :               0.00007261843905
                3d
                   -2 :               0.00001222279208
                   -1 :              -0.00000228732812
                   +0 :              -0.00001637844677
                   +1 :               0.00002751794662
                   +2 :               0.00001190580970
             13 vec=    12.757133     10.359920     -5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00000244420428
                2p
                   -1 :              -0.00000976389957
                   +0 :              -0.00000191584322
                   +1 :              -0.00002147617888
                3s
                   +0 :               0.00010727624812
                4s
                   +0 :              -0.00006578195007
                3p
                   -1 :               0.00008658322102
                   +0 :              -0.00003664461722
                   +1 :               0.00012768916627
                4p
                   -1 :              -0.00002485816227
                   +0 :               0.00002412150646
                   +1 :              -0.00005599947518
                3d
                   -2 :               0.00000689221188
                   -1 :              -0.00001293362087
                   +0 :               0.00003075860359
                   +1 :              -0.00000495018525
                   +2 :               0.00000819956883
             14 vec=    -2.803193    -16.591354     -5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00001197000468
                2p
                   -1 :               0.00000217798335
                   +0 :               0.00000089137797
                   +1 :              -0.00000916310883
                3s
                   +0 :              -0.00000805101775
                4s
                   +0 :              -0.00001341397066
                3p
                   -1 :              -0.00004648347478
                   +0 :              -0.00001195816755
                   +1 :               0.00001457269692
                4p
                   -1 :               0.00002352391809
                   +0 :               0.00000808769659
                   +1 :              -0.00000369069717
                3d
                   -2 :               0.00003667188148
                   -1 :              -0.00000249537288
                   +0 :              -0.00000591027197
                   +1 :               0.00000688330870
                   +2 :              -0.00000403969033
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al(  6)  npairs=  14
              1 vec=    -2.803193      1.376162      1.580453   |vec|=    3.499934
                2s
                   +0 :              -0.03954373150996
                2p
                   -1 :              -0.02089750327193
                   +0 :              -0.02562732314577
                   +1 :               0.03162646558581
                3s
                   +0 :              -0.09971251719092
                4s
                   +0 :              -0.01222581040671
                3p
                   -1 :              -0.03496441742583
                   +0 :              -0.04622961951454
                   +1 :               0.05598999488283
                4p
                   -1 :              -0.01304266085561
                   +0 :              -0.01190348084115
                   +1 :               0.01572841980671
                3d
                   -2 :               0.03654447820388
                   -1 :              -0.03122426980218
                   +0 :              -0.00313936693930
                   +1 :               0.04411028423536
                   +2 :              -0.01023440346929
              2 vec=     4.976970     -3.115717      1.580453   |vec|=    6.080769
                2s
                   +0 :              -0.00449895567259
                2p
                   -1 :               0.00208976943426
                   +0 :              -0.00078169983290
                   +1 :              -0.00310824077101
                3s
                   +0 :               0.00835060058341
                4s
                   +0 :              -0.00622191870585
                3p
                   -1 :              -0.00503335960121
                   +0 :               0.00323247525591
                   +1 :               0.01030236767886
                4p
                   -1 :               0.00242278057874
                   +0 :              -0.00125086770868
                   +1 :              -0.00378988695704
                3d
                   -2 :              -0.00109080088558
                   -1 :              -0.00055100753725
                   +0 :              -0.00260612660241
                   +1 :               0.00186650765863
                   +2 :               0.00369905730353
              3 vec=     4.976970      5.868041      1.580453   |vec|=    7.855060
                2s
                   +0 :              -0.00034151877177
                2p
                   -1 :              -0.00069364790673
                   +0 :               0.00056704722258
                   +1 :               0.00001746638767
                3s
                   +0 :               0.00658114620585
                4s
                   +0 :              -0.00026138793228
                3p
                   -1 :              -0.00014008220718
                   +0 :               0.00186279427551
                   +1 :               0.00318763087252
                4p
                   -1 :              -0.00030644135227
                   +0 :               0.00034246281954
                   +1 :              -0.00003692451233
                3d
                   -2 :              -0.00040431059681
                   -1 :              -0.00062579990447
                   +0 :               0.00082678045126
                   +1 :               0.00103952310152
                   +2 :               0.00210466146454
              4 vec=    -2.803193     -7.607596      1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00002511500977
                2p
                   -1 :               0.00030073980957
                   +0 :              -0.00023463293990
                   +1 :               0.00013425991352
                3s
                   +0 :              -0.00457283058466
                4s
                   +0 :               0.00010047668365
                3p
                   -1 :               0.00150625637892
                   +0 :              -0.00238636114287
                   +1 :              -0.00294686333994
                4p
                   -1 :               0.00046535326268
                   +0 :              -0.00004881324637
                   +1 :               0.00014147069934
                3d
                   -2 :               0.00108865656982
                   -1 :               0.00166391799200
                   +0 :              -0.00027503946752
                   +1 :              -0.00087396940222
                   +2 :               0.00014657504146
              5 vec=    -2.803193     10.359920      1.580453   |vec|=   10.848210
                2s
                   +0 :               0.00026200433393
                2p
                   -1 :               0.00028769104993
                   +0 :              -0.00021841559798
                   +1 :              -0.00022262304895
                3s
                   +0 :              -0.00000156832466
                4s
                   +0 :               0.00012292707044
                3p
                   -1 :              -0.00095461193919
                   +0 :               0.00110816780337
                   +1 :               0.00013688670320
                4p
                   -1 :               0.00014942011540
                   +0 :              -0.00006665216387
                   +1 :              -0.00026051542098
                3d
                   -2 :               0.00073372920321
                   -1 :              -0.00004808717546
                   +0 :               0.00001505552847
                   +1 :              -0.00034396414700
                   +2 :               0.00041032570602
              6 vec=   -10.583355     -3.115717      1.580453   |vec|=   11.145086
                2s
                   +0 :               0.00008107075893
                2p
                   -1 :              -0.00021889405287
                   +0 :               0.00017540394987
                   +1 :              -0.00006965789432
                3s
                   +0 :              -0.00146217730324
                4s
                   +0 :               0.00074241106265
                3p
                   -1 :               0.00150290311448
                   +0 :              -0.00144022351984
                   +1 :               0.00153173412552
                4p
                   -1 :              -0.00045898509604
                   +0 :               0.00034935621203
                   +1 :              -0.00045583958084
                3d
                   -2 :              -0.00082137166198
                   -1 :               0.00038132904248
                   +0 :               0.00029983570942
                   +1 :               0.00048893303863
                   +2 :               0.00022656624322
              7 vec=   -10.583355      5.868041      1.580453   |vec|=   12.204063
                2s
                   +0 :               0.00034534472587
                2p
                   -1 :              -0.00000035720603
                   +0 :               0.00004756701987
                   +1 :              -0.00020794527343
                3s
                   +0 :              -0.00137414476680
                4s
                   +0 :               0.00022207637801
                3p
                   -1 :              -0.00000805800713
                   +0 :              -0.00040027616356
                   +1 :               0.00132036178974
                4p
                   -1 :              -0.00012134486726
                   +0 :              -0.00003834185436
                   +1 :              -0.00034566939702
                3d
                   -2 :               0.00007368555218
                   -1 :              -0.00006340053401
                   +0 :               0.00004588004767
                   +1 :               0.00006643311950
                   +2 :              -0.00028294898185
              8 vec=    12.757133      1.376162      1.580453   |vec|=   12.928112
                2s
                   +0 :              -0.00004239717390
                2p
                   -1 :               0.00010142968182
                   +0 :               0.00012422652941
                   +1 :               0.00020916201923
                3s
                   +0 :               0.00211907212534
                4s
                   +0 :              -0.00016530398924
                3p
                   -1 :               0.00105782302909
                   +0 :               0.00109115363173
                   +1 :              -0.00019054325452
                4p
                   -1 :               0.00009837895635
                   +0 :              -0.00003064243042
                   +1 :               0.00014606847292
                3d
                   -2 :               0.00026650485393
                   -1 :               0.00061533725514
                   +0 :               0.00020022248813
                   +1 :               0.00030356759424
                   +2 :              -0.00050515102736
              9 vec=     4.976970    -12.099475      1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00012820793667
                2p
                   -1 :              -0.00004461046130
                   +0 :               0.00004106240887
                   +1 :               0.00000841433154
                3s
                   +0 :               0.00054820819657
                4s
                   +0 :              -0.00000574080048
                3p
                   -1 :              -0.00048035172802
                   +0 :               0.00040450259937
                   +1 :              -0.00023705887389
                4p
                   -1 :               0.00003971438521
                   +0 :               0.00000354614921
                   +1 :              -0.00000007791812
                3d
                   -2 :               0.00004197031889
                   -1 :              -0.00017778288920
                   +0 :               0.00002506851551
                   +1 :               0.00003570882597
                   +2 :              -0.00014233402519
             10 vec=    12.757133     -7.607596      1.580453   |vec|=   14.937128
                2s
                   +0 :              -0.00013693409332
                2p
                   -1 :               0.00000360801072
                   +0 :              -0.00000771958372
                   +1 :              -0.00005058861139
                3s
                   +0 :               0.00091762935915
                4s
                   +0 :              -0.00027398832976
                3p
                   -1 :              -0.00029682825170
                   +0 :               0.00022293979779
                   +1 :               0.00037947030212
                4p
                   -1 :               0.00008001704858
                   +0 :               0.00000594891223
                   +1 :              -0.00012773010152
                3d
                   -2 :              -0.00002809342910
                   -1 :              -0.00004581755789
                   +0 :               0.00000555305452
                   +1 :               0.00000798117517
                   +2 :              -0.00000136216956
             11 vec=     4.976970     14.851799      1.580453   |vec|=   15.743062
                2s
                   +0 :              -0.00011725708036
                2p
                   -1 :              -0.00006787768800
                   +0 :              -0.00002735661053
                   +1 :              -0.00004880479261
                3s
                   +0 :               0.00038365738308
                4s
                   +0 :              -0.00013304802855
                3p
                   -1 :               0.00035893454922
                   +0 :               0.00016136272534
                   +1 :               0.00014429466459
                4p
                   -1 :              -0.00007599278248
                   +0 :              -0.00005363824647
                   +1 :              -0.00001570012124
                3d
                   -2 :               0.00000789590884
                   -1 :               0.00006871156036
                   +0 :              -0.00005665774243
                   +1 :               0.00001349420977
                   +2 :              -0.00007602269950
             12 vec=   -10.583355    -12.099475      1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00006556011221
                2p
                   -1 :              -0.00001821053556
                   +0 :              -0.00000550625760
                   +1 :               0.00002061607182
                3s
                   +0 :              -0.00031538072793
                4s
                   +0 :               0.00002555489373
                3p
                   -1 :               0.00011235668527
                   +0 :              -0.00005775781254
                   +1 :              -0.00019531840856
                4p
                   -1 :              -0.00000875707949
                   +0 :               0.00000826252218
                   +1 :               0.00006377012403
                3d
                   -2 :               0.00003668073364
                   -1 :               0.00004865191207
                   +0 :              -0.00000092120331
                   +1 :              -0.00004455697245
                   +2 :               0.00006237738288
             13 vec=    12.757133     10.359920      1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00009285160101
                2p
                   -1 :               0.00000012671217
                   +0 :              -0.00001686421592
                   +1 :              -0.00004727173019
                3s
                   +0 :               0.00053251194330
                4s
                   +0 :              -0.00009623581302
                3p
                   -1 :               0.00001451110777
                   +0 :               0.00019307108539
                   +1 :               0.00034286094329
                4p
                   -1 :              -0.00000837624131
                   +0 :              -0.00000363589544
                   +1 :              -0.00005343100974
                3d
                   -2 :               0.00002160387158
                   -1 :              -0.00000680217429
                   +0 :               0.00002170082527
                   +1 :               0.00010626962777
                   +2 :               0.00004286372473
             14 vec=    -2.803193    -16.591354      1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00002151896332
                2p
                   -1 :              -0.00000461132319
                   +0 :              -0.00000237850558
                   +1 :              -0.00002070036235
                3s
                   +0 :               0.00002234457006
                4s
                   +0 :              -0.00000159578447
                3p
                   -1 :               0.00006615837034
                   +0 :               0.00000690260241
                   +1 :               0.00014871340101
                4p
                   -1 :              -0.00002540596884
                   +0 :              -0.00000573852572
                   +1 :              -0.00001935101428
                3d
                   -2 :              -0.00004246486810
                   -1 :              -0.00000779101426
                   +0 :               0.00000259183561
                   +1 :               0.00004373774745
                   +2 :               0.00002158157979
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al(  7)  npairs=  15
              1 vec=    -2.803193      1.376162    -10.693319   |vec|=   11.139963
                2s
                   +0 :              -0.00057635878062
                2p
                   -1 :              -0.00016016007519
                   +0 :               0.00021362836906
                   +1 :               0.00007805974151
                3s
                   +0 :               0.00163963257472
                4s
                   +0 :              -0.00041356968081
                3p
                   -1 :               0.00086070325873
                   +0 :              -0.00112733360142
                   +1 :              -0.00108780564685
                4p
                   -1 :              -0.00013259756776
                   +0 :               0.00031913237683
                   +1 :               0.00015130236838
                3d
                   -2 :               0.00002962014108
                   -1 :              -0.00029879109788
                   +0 :              -0.00017387449365
                   +1 :               0.00025737583856
                   +2 :              -0.00000898075405
              2 vec=     4.976970     -3.115717    -10.693319   |vec|=   12.199385
                2s
                   +0 :               0.00023651653863
                2p
                   -1 :              -0.00009286475669
                   +0 :              -0.00010521243843
                   +1 :               0.00009028326152
                3s
                   +0 :              -0.00017077426753
                4s
                   +0 :              -0.00002416517006
                3p
                   -1 :               0.00048475877314
                   +0 :               0.00035757224802
                   +1 :              -0.00026197188686
                4p
                   -1 :               0.00004833246660
                   +0 :               0.00003080274460
                   +1 :               0.00011177660097
                3d
                   -2 :               0.00028243728619
                   -1 :              -0.00021606977365
                   +0 :              -0.00019502226908
                   +1 :               0.00008377071457
                   +2 :              -0.00001670852928
              3 vec=     4.976970      5.868041    -10.693319   |vec|=   13.173883
                2s
                   +0 :              -0.00032651345777
                2p
                   -1 :              -0.00027242696224
                   +0 :               0.00016036742101
                   +1 :              -0.00005741882356
                3s
                   +0 :               0.00056847381689
                4s
                   +0 :              -0.00017315937630
                3p
                   -1 :               0.00114945764586
                   +0 :              -0.00039170709701
                   +1 :              -0.00026781358373
                4p
                   -1 :              -0.00029522673601
                   +0 :               0.00010576714999
                   +1 :               0.00014995785524
                3d
                   -2 :               0.00001806138907
                   -1 :              -0.00021193466372
                   +0 :               0.00008407424819
                   +1 :               0.00006153868688
                   +2 :              -0.00023752102828
              4 vec=    -2.803193     -7.607596    -10.693319   |vec|=   13.419406
                2s
                   +0 :              -0.00005254091093
                2p
                   -1 :               0.00010094588778
                   +0 :               0.00011496931744
                   +1 :              -0.00009142568474
                3s
                   +0 :              -0.00116973376609
                4s
                   +0 :               0.00010971180907
                3p
                   -1 :               0.00061542018414
                   +0 :               0.00038591345861
                   +1 :               0.00062225641313
                4p
                   -1 :              -0.00000234987162
                   +0 :               0.00007666545887
                   +1 :              -0.00020852158561
                3d
                   -2 :              -0.00011142187718
                   -1 :              -0.00022500139174
                   +0 :               0.00005252686178
                   +1 :              -0.00007295854547
                   +2 :               0.00027826881325
              5 vec=    -2.803193      1.376162     13.854224   |vec|=   14.201804
                2s
                   +0 :              -0.00012280873406
                2p
                   -1 :              -0.00002112820040
                   +0 :              -0.00001733929454
                   +1 :               0.00006535564678
                3s
                   +0 :               0.00025337083180
                4s
                   +0 :              -0.00002836962773
                3p
                   -1 :               0.00011123556990
                   +0 :               0.00003596549340
                   +1 :              -0.00024315215994
                4p
                   -1 :              -0.00002519343223
                   +0 :               0.00001466732354
                   +1 :              -0.00000990986401
                3d
                   -2 :               0.00005421627416
                   -1 :               0.00003020634909
                   +0 :              -0.00001748134611
                   +1 :              -0.00001877185683
                   +2 :              -0.00000437438372
              6 vec=     4.976970     -3.115717     13.854224   |vec|=   15.047174
                2s
                   +0 :               0.00000589027628
                2p
                   -1 :              -0.00005287254248
                   +0 :              -0.00002148589990
                   +1 :               0.00005024241819
                3s
                   +0 :              -0.00001907461394
                4s
                   +0 :              -0.00005696024157
                3p
                   -1 :               0.00028105774909
                   +0 :               0.00008017780150
                   +1 :              -0.00029107647034
                4p
                   -1 :              -0.00003017068376
                   +0 :              -0.00004081942767
                   +1 :               0.00001949849522
                3d
                   -2 :               0.00006912691105
                   -1 :               0.00002709233249
                   +0 :               0.00000100025416
                   +1 :               0.00002466665533
                   +2 :              -0.00001343467124
              7 vec=    -2.803193     10.359920    -10.693319   |vec|=   15.150343
                2s
                   +0 :              -0.00008325355182
                2p
                   -1 :              -0.00005837592852
                   +0 :               0.00005983973686
                   +1 :              -0.00001357222801
                3s
                   +0 :               0.00056867273330
                4s
                   +0 :              -0.00023883420523
                3p
                   -1 :               0.00048059729430
                   +0 :              -0.00046684022561
                   +1 :               0.00002434337798
                4p
                   -1 :              -0.00015138344100
                   +0 :               0.00011803434476
                   +1 :              -0.00002819381217
                3d
                   -2 :              -0.00003848317457
                   -1 :              -0.00011275520668
                   +0 :               0.00008460611151
                   +1 :               0.00000598117474
                   +2 :              -0.00008774112727
              8 vec=   -10.583355     -3.115717    -10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00002135040221
                2p
                   -1 :               0.00002043857454
                   +0 :               0.00002911702732
                   +1 :               0.00000958682887
                3s
                   +0 :              -0.00015143880709
                4s
                   +0 :              -0.00004101576784
                3p
                   -1 :              -0.00021459203597
                   +0 :              -0.00014170635647
                   +1 :              -0.00007314554143
                4p
                   -1 :               0.00005666835939
                   +0 :               0.00006315118237
                   +1 :               0.00006945084014
                3d
                   -2 :               0.00006832932792
                   -1 :               0.00002783929899
                   +0 :              -0.00001437115398
                   +1 :               0.00003081579126
                   +2 :               0.00001670723015
              9 vec=     4.976970      5.868041     13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00001966621232
                2p
                   -1 :               0.00001352624727
                   +0 :               0.00003615483830
                   +1 :               0.00002705661252
                3s
                   +0 :               0.00011648622370
                4s
                   +0 :               0.00004242332634
                3p
                   -1 :               0.00004598396042
                   +0 :              -0.00016348301234
                   +1 :              -0.00003536594979
                4p
                   -1 :               0.00002324576069
                   +0 :               0.00006969529618
                   +1 :              -0.00000818786387
                3d
                   -2 :              -0.00001819359106
                   -1 :               0.00000669387825
                   +0 :              -0.00005072013594
                   +1 :               0.00000249953989
                   +2 :              -0.00007412122039
             10 vec=    -2.803193     -7.607596     13.854224   |vec|=   16.052194
                2s
                   +0 :               0.00002621145198
                2p
                   -1 :              -0.00002971672230
                   +0 :               0.00000606417051
                   +1 :              -0.00001377582886
                3s
                   +0 :               0.00010042959219
                4s
                   +0 :               0.00002977221740
                3p
                   -1 :               0.00002360173771
                   +0 :               0.00002918272270
                   +1 :              -0.00016040133855
                4p
                   -1 :               0.00000050755918
                   +0 :              -0.00000116828080
                   +1 :               0.00000932497088
                3d
                   -2 :               0.00000662668331
                   -1 :               0.00000532999438
                   +0 :              -0.00004580217361
                   +1 :              -0.00002264078064
                   +2 :               0.00003953743369
             11 vec=   -10.583355      5.868041    -10.693319   |vec|=   16.148943
                2s
                   +0 :              -0.00025347611358
                2p
                   -1 :              -0.00003035994503
                   +0 :               0.00009198908272
                   +1 :               0.00011188190244
                3s
                   +0 :               0.00079411151906
                4s
                   +0 :              -0.00026026596986
                3p
                   -1 :               0.00011457814668
                   +0 :              -0.00041689346336
                   +1 :              -0.00048974383278
                4p
                   -1 :              -0.00001445530030
                   +0 :               0.00011585281329
                   +1 :               0.00009709349087
                3d
                   -2 :               0.00000019940736
                   -1 :              -0.00004140171800
                   +0 :               0.00002676358335
                   +1 :               0.00009105496274
                   +2 :               0.00004892461734
             12 vec=    12.757133      1.376162    -10.693319   |vec|=   16.702854
                2s
                   +0 :               0.00002929081309
                2p
                   -1 :               0.00000097834916
                   +0 :              -0.00004690578644
                   +1 :               0.00002894727769
                3s
                   +0 :               0.00000280904861
                4s
                   +0 :               0.00010612751923
                3p
                   -1 :               0.00005338350169
                   +0 :               0.00016561992104
                   +1 :              -0.00011323332702
                4p
                   -1 :              -0.00000216076547
                   +0 :              -0.00008935328421
                   +1 :               0.00006601569419
                3d
                   -2 :               0.00008263931437
                   -1 :              -0.00000384741345
                   +0 :              -0.00005468530166
                   +1 :               0.00001495685769
                   +2 :              -0.00000699533235
             13 vec=     4.976970    -12.099475    -10.693319   |vec|=   16.897177
                2s
                   +0 :              -0.00008102379842
                2p
                   -1 :               0.00004943671823
                   +0 :               0.00002946153574
                   +1 :              -0.00002175560340
                3s
                   +0 :               0.00028277900434
                4s
                   +0 :              -0.00006607879313
                3p
                   -1 :              -0.00023591698787
                   +0 :              -0.00017256470004
                   +1 :               0.00013429322729
                4p
                   -1 :               0.00004966023513
                   +0 :               0.00002921019441
                   +1 :              -0.00005679505764
                3d
                   -2 :              -0.00005408286964
                   -1 :               0.00005181446722
                   +0 :               0.00001291606693
                   +1 :              -0.00000289245877
                   +2 :              -0.00001577534965
             14 vec=    -2.803193     10.359920     13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00002160353213
                2p
                   -1 :               0.00002447160195
                   +0 :              -0.00000480282665
                   +1 :               0.00002030935148
                3s
                   +0 :              -0.00008714784548
                4s
                   +0 :               0.00000878933888
                3p
                   -1 :              -0.00013899365880
                   +0 :               0.00000813521489
                   +1 :              -0.00010880387075
                4p
                   -1 :               0.00001695619589
                   +0 :              -0.00000450076075
                   +1 :               0.00002156156157
                3d
                   -2 :              -0.00002559411012
                   -1 :              -0.00001016576668
                   +0 :               0.00000365465427
                   +1 :              -0.00002009436539
                   +2 :               0.00001002258460
             15 vec=   -10.583355     -3.115717     13.854224   |vec|=   17.710297
                2s
                   +0 :              -0.00000926678910
                2p
                   -1 :              -0.00000727013396
                   +0 :              -0.00000900574205
                   +1 :               0.00002003628681
                3s
                   +0 :              -0.00009850210301
                4s
                   +0 :               0.00000838860917
                3p
                   -1 :               0.00008607514245
                   +0 :               0.00001314118522
                   +1 :               0.00000876580531
                4p
                   -1 :              -0.00002613760664
                   +0 :              -0.00000384640575
                   +1 :               0.00001671869367
                3d
                   -2 :               0.00000508026296
                   -1 :               0.00000188110610
                   +0 :               0.00002214690133
                   +1 :              -0.00000310456019
                   +2 :              -0.00001045545346
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al(  8)  npairs=  13
              1 vec=    -2.803193      1.376162      6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00249570179311
                2p
                   -1 :               0.00036572582649
                   +0 :               0.00162170605967
                   +1 :              -0.00039286427539
                3s
                   +0 :              -0.00823959443466
                4s
                   +0 :               0.00340104771896
                3p
                   -1 :              -0.00489694903674
                   +0 :              -0.00342535538714
                   +1 :               0.00093389733149
                4p
                   -1 :               0.00095654332927
                   +0 :               0.00170148228420
                   +1 :              -0.00073267980973
                3d
                   -2 :              -0.00029374771061
                   -1 :              -0.00024565124803
                   +0 :               0.00070131089910
                   +1 :              -0.00122437026810
                   +2 :               0.00015507585877
              2 vec=     4.976970     -3.115717      6.601898   |vec|=    8.835326
                2s
                   +0 :              -0.00131687997942
                2p
                   -1 :              -0.00027460735147
                   +0 :              -0.00041364695725
                   +1 :              -0.00012412545201
                3s
                   +0 :               0.01273021399968
                4s
                   +0 :              -0.00117270636580
                3p
                   -1 :              -0.00116855593144
                   +0 :               0.00778206561420
                   +1 :               0.00493095441133
                4p
                   -1 :              -0.00084724924153
                   +0 :              -0.00045152635601
                   +1 :               0.00019572429586
                3d
                   -2 :              -0.00048433752506
                   -1 :              -0.00084388114782
                   +0 :               0.00049722627667
                   +1 :               0.00223033748937
                   +2 :               0.00170284910718
              3 vec=     4.976970      5.868041      6.601898   |vec|=   10.138500
                2s
                   +0 :              -0.00113345851915
                2p
                   -1 :              -0.00050327124787
                   +0 :              -0.00032108144045
                   +1 :              -0.00075904099238
                3s
                   +0 :               0.00554260747644
                4s
                   +0 :              -0.00232814910888
                3p
                   -1 :               0.00309487177345
                   +0 :               0.00278725123890
                   +1 :               0.00445073200188
                4p
                   -1 :              -0.00120859195536
                   +0 :              -0.00093193750196
                   +1 :              -0.00122490886369
                3d
                   -2 :               0.00111132328200
                   -1 :               0.00039440164957
                   +0 :              -0.00003298064391
                   +1 :               0.00086067127377
                   +2 :              -0.00015574641737
              4 vec=    -2.803193     -7.607596      6.601898   |vec|=   10.455547
                2s
                   +0 :               0.00037519683804
                2p
                   -1 :               0.00000600220108
                   +0 :               0.00012893572231
                   +1 :               0.00007109444244
                3s
                   +0 :              -0.00150275479628
                4s
                   +0 :               0.00040846498875
                3p
                   -1 :               0.00008976399579
                   +0 :              -0.00029984534938
                   +1 :              -0.00045918807560
                4p
                   -1 :               0.00007984988329
                   +0 :               0.00007626758859
                   +1 :              -0.00000828894798
                3d
                   -2 :              -0.00007424616171
                   -1 :              -0.00005093732893
                   +0 :              -0.00032363556165
                   +1 :              -0.00046425503733
                   +2 :               0.00004875328250
              5 vec=    -2.803193     10.359920      6.601898   |vec|=   12.600432
                2s
                   +0 :               0.00031335642294
                2p
                   -1 :              -0.00009856242005
                   +0 :               0.00014821419363
                   +1 :               0.00015443570357
                3s
                   +0 :              -0.00202170004468
                4s
                   +0 :               0.00051640182352
                3p
                   -1 :               0.00008557328476
                   +0 :              -0.00117226065365
                   +1 :              -0.00094013427425
                4p
                   -1 :              -0.00012340956762
                   +0 :               0.00025689736332
                   +1 :               0.00031018053354
                3d
                   -2 :              -0.00018815816769
                   -1 :              -0.00028707467166
                   +0 :              -0.00039976695997
                   +1 :              -0.00018087908983
                   +2 :               0.00000062315738
              6 vec=   -10.583355     -3.115717      6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00011304313554
                2p
                   -1 :               0.00003232869999
                   +0 :               0.00001504632078
                   +1 :               0.00004967962274
                3s
                   +0 :              -0.00185033183031
                4s
                   +0 :               0.00050341692960
                3p
                   -1 :               0.00050101517674
                   +0 :              -0.00101200007223
                   +1 :               0.00052484795657
                4p
                   -1 :              -0.00014534339672
                   +0 :               0.00023049007619
                   +1 :              -0.00010443400770
                3d
                   -2 :              -0.00014739306980
                   -1 :               0.00012786168783
                   +0 :              -0.00003343834590
                   +1 :               0.00017322332958
                   +2 :              -0.00016849492154
              7 vec=   -10.583355      5.868041      6.601898   |vec|=   13.785005
                2s
                   +0 :               0.00006311205387
                2p
                   -1 :              -0.00004559012720
                   +0 :               0.00005463431572
                   +1 :              -0.00011598636091
                3s
                   +0 :              -0.00054317367639
                4s
                   +0 :               0.00024954623974
                3p
                   -1 :               0.00007850995732
                   +0 :              -0.00031777982285
                   +1 :               0.00076854109409
                4p
                   -1 :              -0.00001569419406
                   +0 :               0.00015590545188
                   +1 :              -0.00027894657437
                3d
                   -2 :               0.00005600372722
                   -1 :              -0.00010101177292
                   +0 :               0.00006276460341
                   +1 :              -0.00004417310906
                   +2 :              -0.00001064902042
              8 vec=    12.757133      1.376162      6.601898   |vec|=   14.429945
                2s
                   +0 :              -0.00027585746312
                2p
                   -1 :               0.00004112973227
                   +0 :              -0.00010811483776
                   +1 :              -0.00007508871919
                3s
                   +0 :               0.00110464990737
                4s
                   +0 :              -0.00028112618235
                3p
                   -1 :              -0.00019975546051
                   +0 :               0.00057197835106
                   +1 :               0.00033624251166
                4p
                   -1 :               0.00009079795120
                   +0 :              -0.00009408741818
                   +1 :               0.00000109928855
                3d
                   -2 :              -0.00003276943531
                   -1 :              -0.00004149987575
                   +0 :               0.00008038334262
                   +1 :               0.00006759669853
                   +2 :               0.00002977366498
              9 vec=     4.976970    -12.099475      6.601898   |vec|=   14.654439
                2s
                   +0 :              -0.00001055824886
                2p
                   -1 :               0.00001995059545
                   +0 :              -0.00000060970903
                   +1 :               0.00002568288048
                3s
                   +0 :               0.00003474572097
                4s
                   +0 :              -0.00005729200243
                3p
                   -1 :              -0.00010905526899
                   +0 :               0.00000005987986
                   +1 :              -0.00017394594359
                4p
                   -1 :               0.00005378303150
                   +0 :              -0.00001469194056
                   +1 :               0.00002377182249
                3d
                   -2 :              -0.00000187251941
                   -1 :              -0.00004177291024
                   +0 :              -0.00005207847209
                   +1 :              -0.00007965222596
                   +2 :              -0.00000891674746
             10 vec=    12.757133     -7.607596      6.601898   |vec|=   16.254384
                2s
                   +0 :              -0.00008090386512
                2p
                   -1 :              -0.00000982492304
                   +0 :              -0.00002617680556
                   +1 :              -0.00002752890190
                3s
                   +0 :               0.00029015530463
                4s
                   +0 :              -0.00005768617401
                3p
                   -1 :               0.00006409358982
                   +0 :               0.00015288459814
                   +1 :               0.00011642389715
                4p
                   -1 :              -0.00003305569197
                   +0 :              -0.00001513736186
                   +1 :              -0.00000729430636
                3d
                   -2 :               0.00001141349743
                   -1 :               0.00000348361749
                   +0 :               0.00001022598889
                   +1 :               0.00006366340545
                   +2 :               0.00003764204071
             11 vec=     4.976970     14.851799      6.601898   |vec|=   16.997977
                2s
                   +0 :              -0.00005333144476
                2p
                   -1 :               0.00001234999693
                   +0 :              -0.00001313518034
                   +1 :              -0.00002187867410
                3s
                   +0 :               0.00034326492571
                4s
                   +0 :              -0.00011033527317
                3p
                   -1 :               0.00004726105246
                   +0 :               0.00015878823142
                   +1 :               0.00009625601910
                4p
                   -1 :              -0.00002453240583
                   +0 :              -0.00004043556666
                   +1 :              -0.00000545818602
                3d
                   -2 :               0.00006592293548
                   -1 :               0.00005366065325
                   +0 :               0.00003425684771
                   +1 :               0.00003235800463
                   +2 :              -0.00000733991886
             12 vec=   -10.583355    -12.099475      6.601898   |vec|=   17.377853
                2s
                   +0 :               0.00004500771786
                2p
                   -1 :               0.00001753139864
                   +0 :               0.00002734081228
                   +1 :              -0.00000345943481
                3s
                   +0 :              -0.00030545584053
                4s
                   +0 :               0.00009908437045
                3p
                   -1 :              -0.00003011698686
                   +0 :              -0.00021739687080
                   +1 :               0.00006714512944
                4p
                   -1 :              -0.00000593653361
                   +0 :               0.00005156552376
                   +1 :              -0.00002187042813
                3d
                   -2 :               0.00001298270425
                   -1 :               0.00002025985500
                   +0 :              -0.00002177605987
                   +1 :               0.00004817285941
                   +2 :              -0.00003528905685
             13 vec=    12.757133     10.359920      6.601898   |vec|=   17.710376
                2s
                   +0 :              -0.00005683758925
                2p
                   -1 :               0.00000050116549
                   +0 :               0.00001101562497
                   +1 :              -0.00002801383782
                3s
                   +0 :               0.00027218047899
                4s
                   +0 :              -0.00007999747393
                3p
                   -1 :               0.00000804726060
                   +0 :              -0.00002899384795
                   +1 :               0.00016977403126
                4p
                   -1 :               0.00000756139088
                   +0 :              -0.00000378531696
                   +1 :              -0.00004279440461
                3d
                   -2 :               0.00002280962298
                   -1 :              -0.00003239326450
                   +0 :               0.00000442147910
                   +1 :              -0.00002491585460
                   +2 :               0.00001046572778
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al(  9)  npairs=  14
              1 vec=     2.383582      1.376162      2.510804   |vec|=    3.725510
                2s
                   +0 :               0.02114314251176
                2p
                   -1 :               0.01379905504635
                   +0 :               0.01908607221160
                   +1 :               0.01736836079468
                3s
                   +0 :               0.06214777956987
                4s
                   +0 :               0.00888326427551
                3p
                   -1 :               0.01489696310335
                   +0 :               0.05395812128605
                   +1 :               0.01927641248854
                4p
                   -1 :               0.00898970779003
                   +0 :               0.00818807829191
                   +1 :               0.00908334306693
                3d
                   -2 :               0.01807855873318
                   -1 :               0.02726751644665
                   +0 :               0.01951371182487
                   +1 :               0.02931349972737
                   +2 :              -0.00060801755757
              2 vec=    -5.396580     -3.115717      2.510804   |vec|=    6.718252
                2s
                   +0 :               0.00383798073065
                2p
                   -1 :              -0.00238110427745
                   +0 :               0.00144744175794
                   +1 :              -0.00171135951646
                3s
                   +0 :              -0.01097748940850
                4s
                   +0 :               0.00823501439475
                3p
                   -1 :               0.00910530445845
                   +0 :              -0.00474338392891
                   +1 :               0.00229942606319
                4p
                   -1 :              -0.00382692122570
                   +0 :               0.00253965056157
                   +1 :              -0.00292256056906
                3d
                   -2 :               0.00005353741149
                   -1 :               0.00150619304885
                   +0 :              -0.00062443589800
                   +1 :               0.00071586796951
                   +2 :              -0.00010772334420
              3 vec=    -5.396580      5.868041      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00070358934708
                2p
                   -1 :              -0.00020983608646
                   +0 :               0.00032000074468
                   +1 :              -0.00089815391747
                3s
                   +0 :              -0.00208794100576
                4s
                   +0 :              -0.00230193757627
                3p
                   -1 :               0.00592635422060
                   +0 :              -0.00448337807602
                   +1 :               0.00483664607319
                4p
                   -1 :              -0.00309541101885
                   +0 :               0.00007993022279
                   +1 :              -0.00023744345102
                3d
                   -2 :              -0.00089980227039
                   -1 :               0.00114791846590
                   +0 :              -0.00150217032385
                   +1 :               0.00091487234557
                   +2 :              -0.00164929979930
              4 vec=     2.383582     -7.607596      2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00016229522999
                2p
                   -1 :              -0.00011674906618
                   +0 :               0.00015361364626
                   +1 :              -0.00029480184613
                3s
                   +0 :               0.00272568681178
                4s
                   +0 :              -0.00020938492968
                3p
                   -1 :              -0.00052027876755
                   +0 :               0.00123914320079
                   +1 :               0.00029730097574
                4p
                   -1 :              -0.00002565580970
                   +0 :               0.00031568301480
                   +1 :              -0.00023241953264
                3d
                   -2 :              -0.00009727697927
                   -1 :              -0.00067780793908
                   +0 :               0.00077377818354
                   +1 :              -0.00030276860334
                   +2 :               0.00026800428665
              5 vec=     2.383582     10.359920      2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00018255452320
                2p
                   -1 :               0.00007668361101
                   +0 :              -0.00004102467754
                   +1 :               0.00002254816154
                3s
                   +0 :               0.00039279844213
                4s
                   +0 :              -0.00045089636344
                3p
                   -1 :              -0.00071322623531
                   +0 :              -0.00025847310634
                   +1 :              -0.00043149280484
                4p
                   -1 :               0.00004644178978
                   +0 :               0.00006735762197
                   +1 :               0.00010563021771
                3d
                   -2 :              -0.00009152805305
                   -1 :              -0.00006294571654
                   +0 :              -0.00006770896300
                   +1 :              -0.00005533953993
                   +2 :               0.00016227836522
              6 vec=    10.163745     -3.115717      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00044195679273
                2p
                   -1 :               0.00012062127999
                   +0 :              -0.00005560847936
                   +1 :               0.00015706678430
                3s
                   +0 :              -0.00017014754207
                4s
                   +0 :              -0.00049547402380
                3p
                   -1 :              -0.00127276263114
                   +0 :               0.00014343636027
                   +1 :               0.00039937622200
                4p
                   -1 :               0.00048084665084
                   +0 :              -0.00021270645663
                   +1 :              -0.00048496064817
                3d
                   -2 :              -0.00031371386309
                   -1 :              -0.00044471169988
                   +0 :              -0.00007906431934
                   +1 :              -0.00000384502897
                   +2 :               0.00018218823776
              7 vec=    10.163745      5.868041      2.510804   |vec|=   12.001657
                2s
                   +0 :               0.00034461548359
                2p
                   -1 :               0.00009580964215
                   +0 :               0.00013968547540
                   +1 :               0.00007014175798
                3s
                   +0 :              -0.00070458960614
                4s
                   +0 :               0.00057205302967
                3p
                   -1 :              -0.00023039431683
                   +0 :               0.00009446844781
                   +1 :              -0.00029008577467
                4p
                   -1 :               0.00002736624615
                   +0 :               0.00006569735027
                   +1 :               0.00030162289309
                3d
                   -2 :              -0.00009416247975
                   -1 :              -0.00002004073209
                   +0 :               0.00015430891532
                   +1 :               0.00014467197475
                   +2 :               0.00047974985438
              8 vec=   -13.176743      1.376162      2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00022201568708
                2p
                   -1 :              -0.00030172607337
                   +0 :              -0.00023866775349
                   +1 :               0.00008452424625
                3s
                   +0 :              -0.00028697984471
                4s
                   +0 :              -0.00009357602043
                3p
                   -1 :               0.00120957707786
                   +0 :               0.00013173745299
                   +1 :               0.00023538288669
                4p
                   -1 :              -0.00044022415859
                   +0 :              -0.00017202286773
                   +1 :              -0.00010058674608
                3d
                   -2 :              -0.00020375306822
                   -1 :              -0.00009336764337
                   +0 :              -0.00015786872798
                   +1 :               0.00010707785328
                   +2 :              -0.00006700840276
              9 vec=    -5.396580    -12.099475      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00000231688642
                2p
                   -1 :               0.00000271757652
                   +0 :              -0.00005700573539
                   +1 :               0.00004325332715
                3s
                   +0 :              -0.00062398141412
                4s
                   +0 :               0.00009479547498
                3p
                   -1 :               0.00033391543865
                   +0 :              -0.00027185149449
                   +1 :              -0.00044432923510
                4p
                   -1 :              -0.00005478045040
                   +0 :              -0.00006166579454
                   +1 :               0.00014499514556
                3d
                   -2 :               0.00010548801293
                   -1 :               0.00012210309255
                   +0 :              -0.00015770887700
                   +1 :              -0.00009918132945
                   +2 :               0.00005653650382
             10 vec=   -13.176743     -7.607596      2.510804   |vec|=   15.420966
                2s
                   +0 :               0.00001757054722
                2p
                   -1 :               0.00001980063789
                   +0 :              -0.00001251291893
                   +1 :              -0.00002204688444
                3s
                   +0 :              -0.00022860306106
                4s
                   +0 :               0.00007482195666
                3p
                   -1 :              -0.00001057854079
                   +0 :               0.00006989701894
                   +1 :               0.00018699876943
                4p
                   -1 :              -0.00002716250069
                   +0 :              -0.00002938505518
                   +1 :              -0.00006649025161
                3d
                   -2 :              -0.00002819334727
                   -1 :              -0.00001423066711
                   +0 :              -0.00000879946009
                   +1 :               0.00000933275184
                   +2 :               0.00000143581311
             11 vec=    -5.396580     14.851799      2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00002473017373
                2p
                   -1 :               0.00000042915039
                   +0 :              -0.00001466504642
                   +1 :              -0.00003094881915
                3s
                   +0 :               0.00010488462293
                4s
                   +0 :               0.00003454046039
                3p
                   -1 :              -0.00003833295365
                   +0 :               0.00019450361707
                   +1 :               0.00010702457616
                4p
                   -1 :               0.00005238463486
                   +0 :              -0.00003692728521
                   +1 :              -0.00003438638690
                3d
                   -2 :               0.00003361577982
                   -1 :              -0.00002009945161
                   +0 :               0.00000489139972
                   +1 :              -0.00009270628392
                   +2 :               0.00002723815175
             12 vec=    10.163745    -12.099475      2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00003921848103
                2p
                   -1 :              -0.00003997177094
                   +0 :               0.00002225229850
                   +1 :              -0.00000446196203
                3s
                   +0 :              -0.00001716707083
                4s
                   +0 :               0.00001813474100
                3p
                   -1 :               0.00018620563827
                   +0 :              -0.00007647484176
                   +1 :               0.00003547055582
                4p
                   -1 :              -0.00002962314515
                   +0 :               0.00004734665808
                   +1 :              -0.00001725210630
                3d
                   -2 :               0.00004436485445
                   -1 :              -0.00000731213466
                   +0 :               0.00001089948741
                   +1 :               0.00001051742197
                   +2 :               0.00000585912897
             13 vec=   -13.176743     10.359920      2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00005957096659
                2p
                   -1 :               0.00000520216457
                   +0 :              -0.00000834079232
                   +1 :              -0.00002146442357
                3s
                   +0 :              -0.00035001678529
                4s
                   +0 :               0.00014538415100
                3p
                   -1 :              -0.00005395240848
                   +0 :              -0.00001924852564
                   +1 :               0.00018587727621
                4p
                   -1 :               0.00002503794781
                   +0 :               0.00001391835626
                   +1 :              -0.00008311698744
                3d
                   -2 :               0.00001513066406
                   -1 :               0.00000143101267
                   +0 :              -0.00000252996841
                   +1 :               0.00001199636524
                   +2 :               0.00001731918617
             14 vec=     2.383582    -16.591354      2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00002476624274
                2p
                   -1 :              -0.00001820141437
                   +0 :               0.00000982487404
                   +1 :               0.00000855934412
                3s
                   +0 :              -0.00006074206699
                4s
                   +0 :               0.00002173161779
                3p
                   -1 :               0.00008802098438
                   +0 :              -0.00004101126093
                   +1 :              -0.00004142571208
                4p
                   -1 :              -0.00002597146342
                   +0 :               0.00000644188740
                   +1 :               0.00001155879334
                3d
                   -2 :               0.00000457040321
                   -1 :               0.00000823544915
                   +0 :               0.00000932173527
                   +1 :               0.00001437911819
                   +2 :               0.00000861848548
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al( 10)  npairs=  13
              1 vec=     2.383582      1.376162      9.763130   |vec|=   10.143668
                2s
                   +0 :              -0.00002985563059
                2p
                   -1 :              -0.00037346157942
                   +0 :              -0.00010201348336
                   +1 :              -0.00004307895705
                3s
                   +0 :              -0.00057236170128
                4s
                   +0 :               0.00024521113068
                3p
                   -1 :               0.00154518524632
                   +0 :              -0.00005755434174
                   +1 :              -0.00052732254673
                4p
                   -1 :              -0.00042460999617
                   +0 :               0.00004450212991
                   +1 :               0.00002575483459
                3d
                   -2 :               0.00029294528786
                   -1 :              -0.00007915069632
                   +0 :              -0.00009119403879
                   +1 :              -0.00019202842029
                   +2 :              -0.00001878289413
              2 vec=    -5.396580     -3.115717      9.763130   |vec|=   11.582292
                2s
                   +0 :               0.00029729886918
                2p
                   -1 :              -0.00009575076463
                   +0 :               0.00013367291846
                   +1 :               0.00001960865017
                3s
                   +0 :              -0.00119282493991
                4s
                   +0 :               0.00059348872002
                3p
                   -1 :               0.00050930935970
                   +0 :              -0.00112349510051
                   +1 :              -0.00005001488997
                4p
                   -1 :              -0.00002422163386
                   +0 :               0.00045692769082
                   +1 :              -0.00007067125178
                3d
                   -2 :              -0.00001783083570
                   -1 :               0.00025037465881
                   +0 :              -0.00026975615073
                   +1 :              -0.00007663113279
                   +2 :               0.00016302147109
              3 vec=    -5.396580      5.868041      9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00008670184465
                2p
                   -1 :              -0.00002712678360
                   +0 :              -0.00003925925967
                   +1 :               0.00006294833896
                3s
                   +0 :               0.00007754322556
                4s
                   +0 :              -0.00022734186999
                3p
                   -1 :               0.00014920638969
                   +0 :               0.00020981408860
                   +1 :              -0.00007593125722
                4p
                   -1 :              -0.00011383245408
                   +0 :              -0.00020758587479
                   +1 :              -0.00005842130677
                3d
                   -2 :              -0.00003416780389
                   -1 :               0.00002231271651
                   +0 :              -0.00003017723150
                   +1 :              -0.00011644415250
                   +2 :              -0.00003793599202
              4 vec=     2.383582     -7.607596      9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00007563542499
                2p
                   -1 :              -0.00000723920418
                   +0 :              -0.00006076825001
                   +1 :              -0.00009331013826
                3s
                   +0 :               0.00129808637270
                4s
                   +0 :              -0.00020246477268
                3p
                   -1 :              -0.00108944963597
                   +0 :               0.00061082826391
                   +1 :               0.00091818560058
                4p
                   -1 :               0.00010940357748
                   +0 :              -0.00014829881034
                   +1 :              -0.00020120842070
                3d
                   -2 :              -0.00026980656047
                   -1 :              -0.00029050643823
                   +0 :              -0.00016157005628
                   +1 :               0.00014954845067
                   +2 :              -0.00040013431813
              5 vec=     2.383582     10.359920      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00019345184980
                2p
                   -1 :              -0.00004839609194
                   +0 :              -0.00004967217752
                   +1 :               0.00007857190506
                3s
                   +0 :               0.00087976100126
                4s
                   +0 :              -0.00015473108799
                3p
                   -1 :               0.00033458626259
                   +0 :               0.00027264609076
                   +1 :              -0.00027077517776
                4p
                   -1 :              -0.00004697464414
                   +0 :              -0.00003754385486
                   +1 :               0.00005295220715
                3d
                   -2 :               0.00002801183934
                   -1 :               0.00000659852020
                   +0 :              -0.00000316741099
                   +1 :              -0.00003529497096
                   +2 :               0.00009855416232
              6 vec=    10.163745     -3.115717      9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00007987236721
                2p
                   -1 :               0.00001610204881
                   +0 :               0.00002921736710
                   +1 :               0.00001674668918
                3s
                   +0 :              -0.00006617459677
                4s
                   +0 :              -0.00005863826550
                3p
                   -1 :              -0.00006126261285
                   +0 :              -0.00008020619936
                   +1 :              -0.00003242026517
                4p
                   -1 :               0.00005204354881
                   +0 :              -0.00000992723911
                   +1 :              -0.00001683812077
                3d
                   -2 :              -0.00003733876017
                   -1 :               0.00002202680340
                   +0 :               0.00004539496818
                   +1 :              -0.00002143726630
                   +2 :               0.00002543008886
              7 vec=     2.383582      1.376162    -14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00003545490701
                2p
                   -1 :              -0.00001437663806
                   +0 :              -0.00000860959655
                   +1 :              -0.00001300498446
                3s
                   +0 :               0.00001824541838
                4s
                   +0 :              -0.00002264031070
                3p
                   -1 :               0.00000853939740
                   +0 :              -0.00006132978916
                   +1 :               0.00007729336164
                4p
                   -1 :               0.00003187215842
                   +0 :               0.00002342541853
                   +1 :              -0.00001486903221
                3d
                   -2 :               0.00007902381459
                   -1 :               0.00001576391168
                   +0 :               0.00004441116961
                   +1 :              -0.00004380435262
                   +2 :              -0.00008233813807
              8 vec=    10.163745      5.868041      9.763130   |vec|=   15.266117
                2s
                   +0 :               0.00032738585498
                2p
                   -1 :               0.00012749348361
                   +0 :               0.00011591932478
                   +1 :               0.00016446522275
                3s
                   +0 :              -0.00099985669280
                4s
                   +0 :               0.00024808321755
                3p
                   -1 :              -0.00073747870530
                   +0 :              -0.00046600286709
                   +1 :              -0.00077034335976
                4p
                   -1 :               0.00018093768795
                   +0 :               0.00005713776032
                   +1 :               0.00011232721646
                3d
                   -2 :              -0.00020094855547
                   -1 :              -0.00010724917628
                   +0 :               0.00003484404538
                   +1 :              -0.00018636118803
                   +2 :              -0.00011206901117
              9 vec=    -5.396580     -3.115717    -14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00010351187888
                2p
                   -1 :              -0.00000329506626
                   +0 :              -0.00002758359791
                   +1 :              -0.00002402442411
                3s
                   +0 :              -0.00034739789276
                4s
                   +0 :               0.00009288102097
                3p
                   -1 :              -0.00003804521217
                   +0 :               0.00012115479587
                   +1 :               0.00001505212321
                4p
                   -1 :              -0.00000912220700
                   +0 :              -0.00001451336936
                   +1 :              -0.00000581975376
                3d
                   -2 :              -0.00003974418400
                   -1 :               0.00001193406245
                   +0 :               0.00002292289093
                   +1 :               0.00002415496048
                   +2 :               0.00000083918507
             10 vec=   -13.176743      1.376162      9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00003518061920
                2p
                   -1 :              -0.00004446071246
                   +0 :              -0.00000428411642
                   +1 :              -0.00001886392079
                3s
                   +0 :              -0.00027393111260
                4s
                   +0 :               0.00008896592354
                3p
                   -1 :               0.00022526071946
                   +0 :              -0.00002987762967
                   +1 :               0.00020146269485
                4p
                   -1 :              -0.00006454282003
                   +0 :              -0.00001357210984
                   +1 :              -0.00008520309777
                3d
                   -2 :               0.00002138456965
                   -1 :               0.00001591467159
                   +0 :               0.00001694258100
                   +1 :               0.00001292970351
                   +2 :              -0.00005478718932
             11 vec=    -5.396580    -12.099475      9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00000615873065
                2p
                   -1 :              -0.00000113208079
                   +0 :               0.00001106754382
                   +1 :              -0.00001803155343
                3s
                   +0 :              -0.00007881869925
                4s
                   +0 :               0.00000258144390
                3p
                   -1 :               0.00005596642742
                   +0 :              -0.00008952290261
                   +1 :               0.00007845059124
                4p
                   -1 :              -0.00001816368094
                   +0 :               0.00001447393895
                   +1 :              -0.00000629879307
                3d
                   -2 :               0.00000066609920
                   -1 :               0.00001682071754
                   +0 :              -0.00000408811456
                   +1 :               0.00000747497080
                   +2 :               0.00002351206535
             12 vec=    -5.396580      5.868041    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00011109194197
                2p
                   -1 :               0.00000707791186
                   +0 :              -0.00002809572167
                   +1 :              -0.00001687650383
                3s
                   +0 :              -0.00043265832238
                4s
                   +0 :               0.00008770648168
                3p
                   -1 :              -0.00017251702552
                   +0 :               0.00017538280206
                   +1 :               0.00008305073911
                4p
                   -1 :               0.00002754432587
                   +0 :              -0.00001143593330
                   +1 :              -0.00003559222233
                3d
                   -2 :               0.00004142010816
                   -1 :               0.00004393861379
                   +0 :               0.00002272967123
                   +1 :              -0.00002713810937
                   +2 :               0.00006926039056
             13 vec=     2.383582     -7.607596    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00000264607482
                2p
                   -1 :               0.00002840065131
                   +0 :               0.00000284606266
                   +1 :               0.00000246493581
                3s
                   +0 :              -0.00011178974269
                4s
                   +0 :               0.00001867298220
                3p
                   -1 :              -0.00007669621309
                   +0 :               0.00010673565778
                   +1 :              -0.00017268554429
                4p
                   -1 :               0.00001804887220
                   +0 :              -0.00000112188755
                   +1 :               0.00001569958953
                3d
                   -2 :               0.00003414078254
                   -1 :              -0.00001569650667
                   +0 :              -0.00003711461471
                   +1 :               0.00004810668576
                   +2 :               0.00002225867763
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al( 11)  npairs=  14
              1 vec=     2.383582      1.376162     -2.510641   |vec|=    3.725400
                2s
                   +0 :               0.01811670206856
                2p
                   -1 :               0.00955343010357
                   +0 :              -0.01826018388622
                   +1 :               0.01708478156596
                3s
                   +0 :               0.05742306081258
                4s
                   +0 :               0.00584354626448
                3p
                   -1 :               0.03365328075365
                   +0 :              -0.05335657625728
                   +1 :               0.00919889419605
                4p
                   -1 :               0.00052942385335
                   +0 :              -0.00653119901638
                   +1 :               0.01053501003518
                3d
                   -2 :               0.01683913070263
                   -1 :              -0.02661895907006
                   +0 :               0.02072515345626
                   +1 :              -0.02692284199316
                   +2 :              -0.00473489978343
              2 vec=    -5.396580     -3.115717     -2.510641   |vec|=    6.718191
                2s
                   +0 :               0.00006851219099
                2p
                   -1 :              -0.00002278200005
                   +0 :              -0.00048317262698
                   +1 :              -0.00077873034668
                3s
                   +0 :               0.00714142305859
                4s
                   +0 :               0.00005279018755
                3p
                   -1 :              -0.00520839089155
                   +0 :              -0.00333760008931
                   +1 :              -0.00258617867626
                4p
                   -1 :               0.00032863828722
                   +0 :               0.00015535034636
                   +1 :              -0.00103318905469
                3d
                   -2 :               0.00109150893980
                   -1 :              -0.00059100114842
                   +0 :               0.00001100422015
                   +1 :               0.00083454424280
                   +2 :              -0.00107981065687
              3 vec=    -5.396580      5.868041     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00124129140224
                2p
                   -1 :              -0.00111153161225
                   +0 :              -0.00042384901218
                   +1 :               0.00030954367847
                3s
                   +0 :               0.00162099151305
                4s
                   +0 :              -0.00121744232864
                3p
                   -1 :               0.00622597316999
                   +0 :               0.00500257434889
                   +1 :              -0.00167335858763
                4p
                   -1 :              -0.00105964430258
                   +0 :              -0.00061568220472
                   +1 :               0.00130462765409
                3d
                   -2 :              -0.00161037838047
                   -1 :              -0.00038954459835
                   +0 :              -0.00253989720114
                   +1 :              -0.00122086746646
                   +2 :              -0.00139783600569
              4 vec=     2.383582     -7.607596     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00030741617927
                2p
                   -1 :               0.00023771771084
                   +0 :               0.00030614083787
                   +1 :              -0.00021937774578
                3s
                   +0 :               0.00524363799146
                4s
                   +0 :              -0.00197821456556
                3p
                   -1 :              -0.00329883184872
                   +0 :              -0.00452756058555
                   +1 :               0.00111597203083
                4p
                   -1 :               0.00130077702007
                   +0 :               0.00095898921998
                   +1 :              -0.00088322009559
                3d
                   -2 :               0.00038462842702
                   -1 :               0.00139470979564
                   +0 :               0.00045939574839
                   +1 :               0.00011818030695
                   +2 :               0.00002256128040
              5 vec=     2.383582     10.359920     -2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00004067749113
                2p
                   -1 :              -0.00019720426425
                   +0 :               0.00015338370123
                   +1 :               0.00004161772717
                3s
                   +0 :              -0.00054371886285
                4s
                   +0 :              -0.00032538561859
                3p
                   -1 :               0.00070246994354
                   +0 :              -0.00075389932985
                   +1 :              -0.00036008496027
                4p
                   -1 :              -0.00045545009005
                   +0 :               0.00036063274984
                   +1 :               0.00008034444561
                3d
                   -2 :              -0.00001538414788
                   -1 :              -0.00009674590125
                   +0 :              -0.00024087766107
                   +1 :               0.00017829231718
                   +2 :              -0.00022817352386
              6 vec=    10.163745     -3.115717     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00017950161750
                2p
                   -1 :              -0.00005477133962
                   +0 :               0.00006423812102
                   +1 :              -0.00012937479771
                3s
                   +0 :               0.00075304922291
                4s
                   +0 :              -0.00027981741467
                3p
                   -1 :              -0.00010096436828
                   +0 :              -0.00023154099611
                   +1 :               0.00040037568192
                4p
                   -1 :               0.00006585389890
                   +0 :               0.00003646331725
                   +1 :              -0.00014350517587
                3d
                   -2 :               0.00003610902683
                   -1 :               0.00036938281603
                   +0 :              -0.00027854591401
                   +1 :              -0.00011738351109
                   +2 :               0.00017925872952
              7 vec=    10.163745      5.868041     -2.510641   |vec|=   12.001622
                2s
                   +0 :               0.00024754752491
                2p
                   -1 :               0.00003306136355
                   +0 :              -0.00023140932601
                   +1 :               0.00020184674135
                3s
                   +0 :              -0.00038134410113
                4s
                   +0 :               0.00043571862883
                3p
                   -1 :              -0.00019980648589
                   +0 :               0.00040536671624
                   +1 :              -0.00061840090610
                4p
                   -1 :               0.00009997840163
                   +0 :              -0.00020993185129
                   +1 :               0.00024962007946
                3d
                   -2 :               0.00006065034620
                   -1 :               0.00008255158239
                   +0 :               0.00000331550994
                   +1 :              -0.00015211350333
                   +2 :              -0.00014787233153
              8 vec=   -13.176743      1.376162     -2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00012493080559
                2p
                   -1 :               0.00014853550878
                   +0 :              -0.00005636555041
                   +1 :              -0.00001889964545
                3s
                   +0 :              -0.00172849125367
                4s
                   +0 :               0.00039200486107
                3p
                   -1 :              -0.00138786650954
                   +0 :               0.00120208007578
                   +1 :               0.00059142721939
                4p
                   -1 :               0.00030217632837
                   +0 :              -0.00011925376090
                   +1 :              -0.00011803064639
                3d
                   -2 :               0.00032948554116
                   -1 :               0.00024315949287
                   +0 :              -0.00034681272536
                   +1 :              -0.00033844610042
                   +2 :              -0.00001761178840
              9 vec=    -5.396580    -12.099475     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00013026040673
                2p
                   -1 :               0.00013427827742
                   +0 :               0.00011518736083
                   +1 :              -0.00001921956212
                3s
                   +0 :              -0.00000891185489
                4s
                   +0 :              -0.00019150339281
                3p
                   -1 :              -0.00041160733280
                   +0 :              -0.00009543472320
                   +1 :               0.00005503513094
                4p
                   -1 :               0.00020382389880
                   +0 :               0.00013871256224
                   +1 :              -0.00003297678854
                3d
                   -2 :               0.00002133867365
                   -1 :              -0.00009440651072
                   +0 :              -0.00021322511350
                   +1 :               0.00014096740013
                   +2 :               0.00001081768472
             10 vec=   -13.176743     -7.607596     -2.510641   |vec|=   15.420940
                2s
                   +0 :               0.00005197778698
                2p
                   -1 :              -0.00001438918573
                   +0 :              -0.00002720289309
                   +1 :              -0.00003584729879
                3s
                   +0 :              -0.00033755694202
                4s
                   +0 :               0.00013397548913
                3p
                   -1 :               0.00007952176410
                   +0 :               0.00018754967557
                   +1 :               0.00023005875588
                4p
                   -1 :              -0.00001518159987
                   +0 :              -0.00004592320355
                   +1 :              -0.00009827811758
                3d
                   -2 :               0.00000754565469
                   -1 :              -0.00005607355154
                   +0 :               0.00001738331566
                   +1 :              -0.00001745066741
                   +2 :              -0.00002256558931
             11 vec=    -5.396580     14.851799     -2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00006194130873
                2p
                   -1 :               0.00007042964585
                   +0 :               0.00000761466663
                   +1 :              -0.00003972719819
                3s
                   +0 :              -0.00009048373233
                4s
                   +0 :               0.00007836155874
                3p
                   -1 :              -0.00027051511561
                   +0 :              -0.00007611201047
                   +1 :               0.00013543256169
                4p
                   -1 :               0.00008989566399
                   +0 :              -0.00000659090272
                   +1 :              -0.00005087182674
                3d
                   -2 :              -0.00002734727932
                   -1 :               0.00000374817279
                   +0 :               0.00006646410642
                   +1 :               0.00001579497404
                   +2 :               0.00003087622353
             12 vec=    10.163745    -12.099475     -2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00002136299666
                2p
                   -1 :              -0.00003211635732
                   +0 :              -0.00001970944846
                   +1 :              -0.00005980456395
                3s
                   +0 :               0.00025165746853
                4s
                   +0 :              -0.00008918546982
                3p
                   -1 :               0.00007281709073
                   +0 :              -0.00001220792736
                   +1 :               0.00029913246560
                4p
                   -1 :              -0.00000137171733
                   +0 :               0.00001308131082
                   +1 :              -0.00008109285298
                3d
                   -2 :              -0.00000278814141
                   -1 :               0.00003141252140
                   +0 :               0.00001654204405
                   +1 :               0.00003850656029
                   +2 :               0.00003004288069
             13 vec=   -13.176743     10.359920     -2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00005511484959
                2p
                   -1 :              -0.00002135865934
                   +0 :               0.00002355681348
                   +1 :               0.00001090362278
                3s
                   +0 :               0.00013124651562
                4s
                   +0 :              -0.00006896500812
                3p
                   -1 :               0.00006764464168
                   +0 :              -0.00008123584686
                   +1 :              -0.00005761127936
                4p
                   -1 :              -0.00001644673835
                   +0 :               0.00003668366351
                   +1 :               0.00001477578000
                3d
                   -2 :               0.00000418383374
                   -1 :               0.00001356121761
                   +0 :               0.00002026743625
                   +1 :               0.00002252894945
                   +2 :               0.00000051182976
             14 vec=     2.383582    -16.591354     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00000498486392
                2p
                   -1 :               0.00000445282843
                   +0 :              -0.00000012502810
                   +1 :              -0.00000018457058
                3s
                   +0 :              -0.00003173997954
                4s
                   +0 :               0.00001948931897
                3p
                   -1 :               0.00000789839808
                   +0 :               0.00000827297532
                   +1 :              -0.00003169947123
                4p
                   -1 :              -0.00000611401070
                   +0 :              -0.00001326169961
                   +1 :               0.00002621211049
                3d
                   -2 :              -0.00000152386098
                   -1 :              -0.00000484614582
                   +0 :               0.00000699451098
                   +1 :              -0.00000497740093
                   +2 :               0.00000060291893
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site Al( 12)  npairs=  13
              1 vec=     2.383582      1.376162     -9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00035327872087
                2p
                   -1 :               0.00014859292290
                   +0 :               0.00006057560359
                   +1 :              -0.00013265643304
                3s
                   +0 :               0.00067017997197
                4s
                   +0 :              -0.00016695681790
                3p
                   -1 :              -0.00109151037811
                   +0 :              -0.00007007653258
                   +1 :              -0.00028754878912
                4p
                   -1 :               0.00035045965960
                   +0 :               0.00003075042725
                   +1 :              -0.00008178983363
                3d
                   -2 :               0.00018857955341
                   -1 :               0.00011496992368
                   +0 :              -0.00014475910072
                   +1 :               0.00020882287819
                   +2 :               0.00054355746206
              2 vec=    -5.396580     -3.115717     -9.762967   |vec|=   11.582154
                2s
                   +0 :               0.00019665573416
                2p
                   -1 :               0.00002186530903
                   +0 :              -0.00016921445209
                   +1 :               0.00010726719428
                3s
                   +0 :              -0.00101176199710
                4s
                   +0 :               0.00058443065532
                3p
                   -1 :               0.00002170466226
                   +0 :               0.00124480248939
                   +1 :              -0.00056956623222
                4p
                   -1 :              -0.00011409988831
                   +0 :              -0.00039739302919
                   +1 :               0.00022379852594
                3d
                   -2 :               0.00024031569049
                   -1 :              -0.00007164103398
                   +0 :              -0.00038344123958
                   +1 :              -0.00003454857723
                   +2 :              -0.00025101793070
              3 vec=    -5.396580      5.868041     -9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00001978909771
                2p
                   -1 :              -0.00015763576655
                   +0 :               0.00003428948431
                   +1 :              -0.00006996466730
                3s
                   +0 :              -0.00001121923144
                4s
                   +0 :               0.00013742526622
                3p
                   -1 :               0.00098774341527
                   +0 :              -0.00024337299151
                   +1 :               0.00033254724346
                4p
                   -1 :              -0.00035369201031
                   +0 :               0.00003773346527
                   +1 :              -0.00020715119180
                3d
                   -2 :              -0.00024262961523
                   -1 :              -0.00014616799425
                   +0 :               0.00000148728804
                   +1 :               0.00021351325442
                   +2 :               0.00013269751768
              4 vec=     2.383582     -7.607596     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00011918535886
                2p
                   -1 :              -0.00004890509411
                   +0 :               0.00000579367587
                   +1 :              -0.00006825141043
                3s
                   +0 :               0.00190016500145
                4s
                   +0 :              -0.00027728351483
                3p
                   -1 :              -0.00138027566766
                   +0 :              -0.00049339546314
                   +1 :               0.00031060722743
                4p
                   -1 :               0.00009585680358
                   +0 :               0.00007567383564
                   +1 :              -0.00013400982797
                3d
                   -2 :               0.00006732632722
                   -1 :               0.00016136257098
                   +0 :              -0.00024704669411
                   +1 :              -0.00012741954695
                   +2 :              -0.00031499881577
              5 vec=     2.383582     10.359920     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00001826810157
                2p
                   -1 :              -0.00006759619862
                   +0 :              -0.00001354933861
                   +1 :               0.00015779519977
                3s
                   +0 :               0.00001571049392
                4s
                   +0 :              -0.00012103849483
                3p
                   -1 :               0.00047718984958
                   +0 :               0.00009038964893
                   +1 :              -0.00087946056774
                4p
                   -1 :              -0.00020241210249
                   +0 :              -0.00001496233451
                   +1 :               0.00015980770977
                3d
                   -2 :              -0.00018714668156
                   -1 :              -0.00004892802972
                   +0 :               0.00003561639246
                   +1 :               0.00022121733507
                   +2 :              -0.00013208963493
              6 vec=    10.163745     -3.115717     -9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00022980628288
                2p
                   -1 :               0.00004291812306
                   +0 :               0.00006462719190
                   +1 :              -0.00000802465057
                3s
                   +0 :               0.00066988492003
                4s
                   +0 :              -0.00017524439841
                3p
                   -1 :              -0.00013645871247
                   +0 :              -0.00027342616002
                   +1 :              -0.00001884540938
                4p
                   -1 :               0.00002316845584
                   +0 :               0.00005478233138
                   +1 :               0.00004687646882
                3d
                   -2 :               0.00008172505305
                   -1 :               0.00005211952184
                   +0 :              -0.00001183227652
                   +1 :               0.00001212817193
                   +2 :              -0.00009703396804
              7 vec=     2.383582      1.376162     14.784576   |vec|=   15.038583
                2s
                   +0 :               0.00006899778494
                2p
                   -1 :               0.00001941404109
                   +0 :               0.00002510061101
                   +1 :              -0.00005984372789
                3s
                   +0 :              -0.00015102508310
                4s
                   +0 :               0.00003678247505
                3p
                   -1 :              -0.00011768010475
                   +0 :              -0.00004770057588
                   +1 :               0.00022419040444
                4p
                   -1 :               0.00001717976873
                   +0 :               0.00000384940845
                   +1 :              -0.00003775885930
                3d
                   -2 :               0.00003399511675
                   -1 :               0.00003146996397
                   +0 :               0.00000451170059
                   +1 :               0.00005402765713
                   +2 :               0.00008100094168
              8 vec=    10.163745      5.868041     -9.762967   |vec|=   15.266013
                2s
                   +0 :               0.00024414604342
                2p
                   -1 :               0.00000564928929
                   +0 :              -0.00012050658722
                   +1 :               0.00014414835583
                3s
                   +0 :              -0.00087032808701
                4s
                   +0 :               0.00019752129213
                3p
                   -1 :               0.00000999178044
                   +0 :               0.00058579676793
                   +1 :              -0.00085634160245
                4p
                   -1 :              -0.00008703245648
                   +0 :              -0.00010488036876
                   +1 :               0.00020951073105
                3d
                   -2 :              -0.00010619933662
                   -1 :               0.00011546759173
                   +0 :               0.00000086642261
                   +1 :               0.00024529869822
                   +2 :              -0.00013880382961
              9 vec=    -5.396580     -3.115717     14.784576   |vec|=   16.044141
                2s
                   +0 :               0.00005444394898
                2p
                   -1 :               0.00001252388961
                   +0 :               0.00002079947672
                   +1 :              -0.00000936558751
                3s
                   +0 :              -0.00029950565281
                4s
                   +0 :               0.00008710022474
                3p
                   -1 :              -0.00006128591553
                   +0 :              -0.00015641133630
                   +1 :              -0.00000939434051
                4p
                   -1 :               0.00000997962439
                   +0 :               0.00002927504797
                   +1 :               0.00000213734970
                3d
                   -2 :               0.00000032167660
                   -1 :              -0.00001210346905
                   +0 :              -0.00001535859236
                   +1 :               0.00000726544132
                   +2 :               0.00000200699935
             10 vec=   -13.176743      1.376162     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00003146599612
                2p
                   -1 :              -0.00000998839005
                   +0 :              -0.00001601224026
                   +1 :              -0.00000048915376
                3s
                   +0 :              -0.00030862141867
                4s
                   +0 :               0.00008737352262
                3p
                   -1 :              -0.00003572787808
                   +0 :               0.00016257489594
                   +1 :               0.00012907983267
                4p
                   -1 :              -0.00000275715167
                   +0 :              -0.00004716229772
                   +1 :              -0.00003901215826
                3d
                   -2 :               0.00004924506005
                   -1 :               0.00003192635523
                   +0 :               0.00000498787120
                   +1 :              -0.00002223409603
                   +2 :               0.00001267724018
             11 vec=    -5.396580    -12.099475     -9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00008405264447
                2p
                   -1 :               0.00005674455164
                   +0 :              -0.00000356868306
                   +1 :              -0.00001201975293
                3s
                   +0 :               0.00018243762617
                4s
                   +0 :              -0.00005748948055
                3p
                   -1 :              -0.00022163556538
                   +0 :               0.00010761688922
                   +1 :               0.00005266460259
                4p
                   -1 :               0.00003732706871
                   +0 :              -0.00002812545494
                   +1 :              -0.00002318791367
                3d
                   -2 :              -0.00002971515152
                   -1 :              -0.00000559780299
                   +0 :              -0.00004686980294
                   +1 :              -0.00002455317582
                   +2 :              -0.00006140299882
             12 vec=    -5.396580      5.868041     14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00005315978083
                2p
                   -1 :              -0.00002872149396
                   +0 :               0.00000507192185
                   +1 :              -0.00001751508524
                3s
                   +0 :              -0.00029541000198
                4s
                   +0 :               0.00005375250243
                3p
                   -1 :               0.00002471365300
                   +0 :              -0.00008831776266
                   +1 :               0.00004231181122
                4p
                   -1 :              -0.00001779695602
                   +0 :               0.00000914696777
                   +1 :              -0.00000623617121
                3d
                   -2 :              -0.00001560493884
                   -1 :              -0.00001080725663
                   +0 :               0.00003066045082
                   +1 :               0.00000110396449
                   +2 :               0.00003838258331
             13 vec=     2.383582     -7.607596     14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00000598868100
                2p
                   -1 :              -0.00000554342565
                   +0 :              -0.00001422884285
                   +1 :              -0.00003279836947
                3s
                   +0 :              -0.00007287806220
                4s
                   +0 :               0.00000861918919
                3p
                   -1 :               0.00008219972361
                   +0 :               0.00001713308762
                   +1 :               0.00012146091016
                4p
                   -1 :              -0.00002171352033
                   +0 :              -0.00003206980374
                   +1 :              -0.00002755409697
                3d
                   -2 :               0.00003081969748
                   -1 :               0.00003126710132
                   +0 :               0.00000684240632
                   +1 :               0.00001038233638
                   +2 :               0.00001623393559
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 13)  npairs=  15
              1 vec=     2.174037      4.491729      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00014349930633
                2s
                   +0 :               0.00055261324657
                3s
                   +0 :              -0.00054536305997
                2p
                   -1 :              -0.00080294827826
                   +0 :               0.00143090753017
                   +1 :              -0.00254793106934
                3p
                   -1 :               0.00026066095739
                   +0 :              -0.00188909206553
                   +1 :               0.00172041591542
                3d
                   -2 :              -0.00001859791268
                   -1 :              -0.00002872570298
                   +0 :              -0.00001995431265
                   +1 :               0.00015129561534
                   +2 :               0.00001582715639
              2 vec=     2.174037     -4.492029      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00043655078128
                2s
                   +0 :               0.00405143659250
                3s
                   +0 :              -0.00121894304138
                2p
                   -1 :              -0.00139735743012
                   +0 :               0.00354659976916
                   +1 :              -0.00130485228137
                3p
                   -1 :              -0.00032064419472
                   +0 :              -0.00089314989722
                   +1 :               0.00005272985313
                3d
                   -2 :               0.00013097456578
                   -1 :              -0.00007622031046
                   +0 :               0.00001742648598
                   +1 :              -0.00018994508286
                   +2 :              -0.00019008737330
              3 vec=    -5.606126     -0.000150      8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00030930247676
                2s
                   +0 :              -0.00249768769662
                3s
                   +0 :               0.00048010925816
                2p
                   -1 :              -0.00133698927535
                   +0 :              -0.00155331496530
                   +1 :               0.00140090448128
                3p
                   -1 :               0.00042102938331
                   +0 :              -0.00019233199150
                   +1 :              -0.00035475531413
                3d
                   -2 :               0.00004251218103
                   -1 :              -0.00016728111920
                   +0 :              -0.00001418045034
                   +1 :              -0.00000339460385
                   +2 :               0.00005363100312
              4 vec=     9.954199     -0.000150      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00003407858069
                2s
                   +0 :               0.00042765889399
                3s
                   +0 :              -0.00004707113333
                2p
                   -1 :              -0.00028450043899
                   +0 :               0.00010655112191
                   +1 :              -0.00007733793691
                3p
                   -1 :               0.00028257628607
                   +0 :              -0.00000277651592
                   +1 :               0.00007916833172
                3d
                   -2 :               0.00002432185281
                   -1 :               0.00002277702133
                   +0 :               0.00003672409254
                   +1 :               0.00001107059437
                   +2 :               0.00000793957490
              5 vec=    -5.606126      8.983608      8.182514   |vec|=   13.382354
                1s
                   +0 :               0.00006391853674
                2s
                   +0 :              -0.00058700292773
                3s
                   +0 :               0.00014524360387
                2p
                   -1 :               0.00023769018233
                   +0 :              -0.00015322756633
                   +1 :               0.00021307979354
                3p
                   -1 :              -0.00032479205623
                   +0 :              -0.00002217167671
                   +1 :              -0.00008931537912
                3d
                   -2 :              -0.00001009778703
                   -1 :              -0.00001990922153
                   +0 :               0.00001860585220
                   +1 :              -0.00003641829561
                   +2 :              -0.00002219312473
              6 vec=    -5.606126     -8.983908      8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00002353277134
                2s
                   +0 :              -0.00037348723906
                3s
                   +0 :               0.00004584445682
                2p
                   -1 :               0.00014196357607
                   +0 :              -0.00028342500803
                   +1 :               0.00020668843421
                3p
                   -1 :               0.00003811806292
                   +0 :               0.00018426041016
                   +1 :              -0.00017782094107
                3d
                   -2 :              -0.00001106168376
                   -1 :              -0.00001000275208
                   +0 :               0.00000831334023
                   +1 :               0.00000881333966
                   +2 :               0.00001374197385
              7 vec=     9.954199      8.983608      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00000568068995
                2s
                   +0 :               0.00004409277935
                3s
                   +0 :               0.00004408996473
                2p
                   -1 :              -0.00002131641870
                   +0 :               0.00009131754068
                   +1 :              -0.00015330830143
                3p
                   -1 :               0.00003323064814
                   +0 :              -0.00000215404349
                   +1 :               0.00021309424032
                3d
                   -2 :              -0.00000040414061
                   -1 :               0.00001055707040
                   +0 :               0.00000476762026
                   +1 :               0.00000007326426
                   +2 :              -0.00001078924570
              8 vec=     9.954199     -8.983908      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00002234006830
                2s
                   +0 :              -0.00016221463449
                3s
                   +0 :               0.00009717527987
                2p
                   -1 :              -0.00001845826393
                   +0 :              -0.00009337410587
                   +1 :              -0.00023511453570
                3p
                   -1 :               0.00000225321546
                   +0 :               0.00002196441000
                   +1 :               0.00013829877608
                3d
                   -2 :               0.00000042243164
                   -1 :               0.00000478307507
                   +0 :               0.00001021708829
                   +1 :               0.00001716413307
                   +2 :               0.00000393082261
              9 vec=     2.174037     13.475487      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00002691959803
                2s
                   +0 :               0.00022573648588
                3s
                   +0 :              -0.00006902357920
                2p
                   -1 :               0.00011379149758
                   +0 :               0.00008692612690
                   +1 :              -0.00006323859744
                3p
                   -1 :              -0.00002788838428
                   +0 :              -0.00002184012120
                   +1 :               0.00004625411086
                3d
                   -2 :               0.00000816760172
                   -1 :               0.00000134388925
                   +0 :               0.00000371582024
                   +1 :               0.00000125209126
                   +2 :              -0.00000049300455
             10 vec=     2.174037    -13.475787      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00000210225975
                2s
                   +0 :               0.00001694504620
                3s
                   +0 :               0.00002230528273
                2p
                   -1 :              -0.00003078280809
                   +0 :               0.00006790129870
                   +1 :               0.00006129007944
                3p
                   -1 :               0.00002218706070
                   +0 :               0.00001536468535
                   +1 :               0.00000041144086
                3d
                   -2 :              -0.00000684148389
                   -1 :              -0.00000233374995
                   +0 :               0.00000103668321
                   +1 :               0.00000947611051
                   +2 :               0.00000747391048
             11 vec=   -13.386289      4.491729      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00001830260383
                2s
                   +0 :               0.00004756583710
                3s
                   +0 :              -0.00009553069623
                2p
                   -1 :              -0.00024212973645
                   +0 :               0.00010699262804
                   +1 :              -0.00001322389605
                3p
                   -1 :               0.00017440371582
                   +0 :              -0.00014767116738
                   +1 :               0.00008750319466
                3d
                   -2 :              -0.00000906842981
                   -1 :              -0.00000401593001
                   +0 :               0.00000266570119
                   +1 :               0.00000429067016
                   +2 :              -0.00000366621252
             12 vec=   -13.386289     -4.492029      8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00001005892956
                2s
                   +0 :              -0.00014960448005
                3s
                   +0 :               0.00003166633093
                2p
                   -1 :               0.00010985604045
                   +0 :              -0.00010526593775
                   +1 :               0.00007394712521
                3p
                   -1 :              -0.00004005324550
                   +0 :               0.00001987152372
                   +1 :               0.00000994629856
                3d
                   -2 :              -0.00000107563952
                   -1 :              -0.00000306379854
                   +0 :               0.00000139647024
                   +1 :              -0.00000715446843
                   +2 :               0.00000020925489
             13 vec=     2.174037      4.491729    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00001023275749
                2s
                   +0 :              -0.00006328139018
                3s
                   +0 :               0.00003342628551
                2p
                   -1 :               0.00003761272152
                   +0 :              -0.00000442976007
                   +1 :              -0.00011993815708
                3p
                   -1 :              -0.00001160159152
                   +0 :              -0.00002106514038
                   +1 :               0.00006943714882
                3d
                   -2 :              -0.00000222662460
                   -1 :               0.00000344188244
                   +0 :              -0.00000346365552
                   +1 :              -0.00000481257154
                   +2 :               0.00000387663726
             14 vec=     2.174037     -4.492029    -16.365028   |vec|=   17.109030
                1s
                   +0 :              -0.00000759693816
                2s
                   +0 :               0.00002400162847
                3s
                   +0 :              -0.00003065978663
                2p
                   -1 :               0.00001916648253
                   +0 :              -0.00003807148048
                   +1 :              -0.00005310433066
                3p
                   -1 :              -0.00001195136954
                   +0 :               0.00004713017568
                   +1 :               0.00001729582392
                3d
                   -2 :              -0.00000198645570
                   -1 :              -0.00000021700942
                   +0 :              -0.00001162628268
                   +1 :               0.00000446769447
                   +2 :               0.00000347287368
             15 vec=    -5.606126     -0.000150    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00001047739209
                2s
                   +0 :              -0.00005966902631
                3s
                   +0 :               0.00001944385222
                2p
                   -1 :              -0.00001056110062
                   +0 :               0.00002831802378
                   +1 :              -0.00002291117377
                3p
                   -1 :               0.00002079654971
                   +0 :              -0.00000363769534
                   +1 :               0.00001348878669
                3d
                   -2 :              -0.00000682738246
                   -1 :              -0.00000268998596
                   +0 :              -0.00000316206161
                   +1 :              -0.00000154497224
                   +2 :               0.00000065982644
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 14)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00010406806814
                2s
                   +0 :               0.00154988152576
                3s
                   +0 :              -0.00005781536107
                2p
                   -1 :               0.00140915764630
                   +0 :               0.00160683065604
                   +1 :               0.00061169088183
                3p
                   -1 :               0.00004215708321
                   +0 :              -0.00016777014348
                   +1 :              -0.00004554950697
                3d
                   -2 :               0.00003203058177
                   -1 :               0.00009140642198
                   +0 :               0.00000183551448
                   +1 :               0.00012024486377
                   +2 :              -0.00005977307835
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00005682161139
                2s
                   +0 :               0.00045581462101
                3s
                   +0 :              -0.00005635876434
                2p
                   -1 :               0.00018124264039
                   +0 :              -0.00019721993298
                   +1 :               0.00045806825382
                3p
                   -1 :              -0.00009718445084
                   +0 :               0.00031482037487
                   +1 :              -0.00034330213822
                3d
                   -2 :              -0.00004466538975
                   -1 :               0.00008154593625
                   +0 :               0.00008176638604
                   +1 :               0.00002949215755
                   +2 :              -0.00000054660085
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00015914665631
                2s
                   +0 :              -0.00174026501216
                3s
                   +0 :               0.00008700786140
                2p
                   -1 :               0.00120346685390
                   +0 :              -0.00137382813324
                   +1 :              -0.00021178302844
                3p
                   -1 :               0.00042450114287
                   +0 :              -0.00051618424108
                   +1 :              -0.00032867027304
                3d
                   -2 :               0.00010968073608
                   -1 :               0.00013852686814
                   +0 :              -0.00002878253867
                   +1 :              -0.00016553971430
                   +2 :               0.00012429723156
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00003129318012
                2s
                   +0 :               0.00014184215178
                3s
                   +0 :               0.00003514500959
                2p
                   -1 :              -0.00032448638597
                   +0 :               0.00000497365143
                   +1 :               0.00063364441940
                3p
                   -1 :               0.00025652733842
                   +0 :               0.00023550120222
                   +1 :              -0.00052835877645
                3d
                   -2 :              -0.00004644413942
                   -1 :              -0.00003197775351
                   +0 :               0.00001834885450
                   +1 :               0.00000173234132
                   +2 :               0.00001252220979
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000612037069
                2s
                   +0 :               0.00004165797177
                3s
                   +0 :              -0.00000975504789
                2p
                   -1 :               0.00000696978486
                   +0 :               0.00008233817747
                   +1 :              -0.00013178698762
                3p
                   -1 :               0.00002496247877
                   +0 :              -0.00009449554628
                   +1 :               0.00006467692382
                3d
                   -2 :               0.00000506546113
                   -1 :               0.00001128435475
                   +0 :               0.00001527931314
                   +1 :              -0.00001449968625
                   +2 :               0.00000124217579
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00003383756172
                2s
                   +0 :              -0.00056889275939
                3s
                   +0 :               0.00003408160859
                2p
                   -1 :              -0.00015482958720
                   +0 :              -0.00002245873632
                   +1 :               0.00022621489949
                3p
                   -1 :              -0.00000152786337
                   +0 :               0.00004128085009
                   +1 :              -0.00003077431610
                3d
                   -2 :              -0.00000423110845
                   -1 :              -0.00000635453981
                   +0 :              -0.00003380607186
                   +1 :               0.00001870470021
                   +2 :              -0.00000661793311
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001828167562
                2s
                   +0 :               0.00013750179647
                3s
                   +0 :              -0.00002774268330
                2p
                   -1 :               0.00006496991008
                   +0 :               0.00015431475580
                   +1 :              -0.00015909192461
                3p
                   -1 :              -0.00003555160518
                   +0 :              -0.00005836915060
                   +1 :               0.00019171592595
                3d
                   -2 :              -0.00000284387616
                   -1 :              -0.00001492818746
                   +0 :              -0.00001531008992
                   +1 :               0.00000112444599
                   +2 :               0.00001800061694
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000367561396
                2s
                   +0 :               0.00010236343276
                3s
                   +0 :               0.00000883000348
                2p
                   -1 :              -0.00008050679669
                   +0 :               0.00012240551643
                   +1 :              -0.00002420386142
                3p
                   -1 :               0.00000466084707
                   +0 :               0.00000723071702
                   +1 :               0.00004049526266
                3d
                   -2 :              -0.00000181643279
                   -1 :              -0.00000728060223
                   +0 :               0.00000087118835
                   +1 :               0.00000292171502
                   +2 :               0.00000055095060
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00003176579372
                2s
                   +0 :              -0.00024462448910
                3s
                   +0 :               0.00008895987223
                2p
                   -1 :              -0.00028824949575
                   +0 :              -0.00012146367306
                   +1 :              -0.00020793255896
                3p
                   -1 :               0.00014415738125
                   +0 :               0.00008422338583
                   +1 :               0.00014259899865
                3d
                   -2 :               0.00001376304498
                   -1 :               0.00001208079535
                   +0 :               0.00000247813420
                   +1 :               0.00000254584892
                   +2 :              -0.00000228982445
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001776148111
                2s
                   +0 :              -0.00016949873624
                3s
                   +0 :               0.00002618334893
                2p
                   -1 :              -0.00011202005888
                   +0 :              -0.00008171592731
                   +1 :               0.00021373072332
                3p
                   -1 :               0.00004381136586
                   +0 :               0.00004487658825
                   +1 :              -0.00014244092616
                3d
                   -2 :              -0.00000720226857
                   -1 :               0.00001397217155
                   +0 :              -0.00000281738782
                   +1 :               0.00000510821054
                   +2 :               0.00000315137923
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001839850528
                2s
                   +0 :              -0.00014812452221
                3s
                   +0 :               0.00003795193933
                2p
                   -1 :               0.00008436912092
                   +0 :              -0.00006410251077
                   +1 :               0.00002574099335
                3p
                   -1 :              -0.00003871532862
                   +0 :              -0.00001075471450
                   +1 :              -0.00000039032516
                3d
                   -2 :              -0.00000226673332
                   -1 :               0.00000907787816
                   +0 :              -0.00000595412295
                   +1 :               0.00001316849341
                   +2 :              -0.00000002116590
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00002032814357
                2s
                   +0 :               0.00013177233914
                3s
                   +0 :              -0.00009475142886
                2p
                   -1 :              -0.00002291234322
                   +0 :               0.00014742320885
                   +1 :              -0.00015365824039
                3p
                   -1 :               0.00001399740853
                   +0 :              -0.00007301357507
                   +1 :               0.00014694068511
                3d
                   -2 :              -0.00001614228906
                   -1 :               0.00000414759819
                   +0 :              -0.00000139429795
                   +1 :               0.00001691653641
                   +2 :              -0.00001488226110
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00001487044170
                2s
                   +0 :              -0.00009637934689
                3s
                   +0 :               0.00005360640724
                2p
                   -1 :               0.00004466101722
                   +0 :               0.00005580812813
                   +1 :               0.00001083350679
                3p
                   -1 :              -0.00003858655336
                   +0 :              -0.00003918375023
                   +1 :              -0.00001549927590
                3d
                   -2 :               0.00000246866316
                   -1 :               0.00000253513075
                   +0 :               0.00000137706659
                   +1 :              -0.00000038414698
                   +2 :               0.00000375932185
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00002110152934
                2s
                   +0 :              -0.00013271184798
                3s
                   +0 :               0.00005633514610
                2p
                   -1 :              -0.00000601162768
                   +0 :               0.00011657223028
                   +1 :              -0.00004659643919
                3p
                   -1 :              -0.00002632084995
                   +0 :              -0.00004192762702
                   +1 :               0.00001425310395
                3d
                   -2 :               0.00000233864601
                   -1 :               0.00000367744531
                   +0 :              -0.00000151411586
                   +1 :              -0.00000099423806
                   +2 :               0.00000843723021
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001156357561
                2s
                   +0 :              -0.00004330637352
                3s
                   +0 :               0.00004401152916
                2p
                   -1 :               0.00010612270077
                   +0 :               0.00004018029990
                   +1 :              -0.00004003317527
                3p
                   -1 :              -0.00008270543965
                   +0 :              -0.00005085465194
                   +1 :              -0.00000067460813
                3d
                   -2 :               0.00000292042811
                   -1 :               0.00000191509748
                   +0 :               0.00000056973161
                   +1 :               0.00000195262738
                   +2 :              -0.00000061712810
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 15)  npairs=  14
              1 vec=    -0.209805     -0.363094      8.182514   |vec|=    8.193253
                1s
                   +0 :               0.00033865935956
                2s
                   +0 :              -0.00212059076226
                3s
                   +0 :               0.00070458718847
                2p
                   -1 :               0.00109000027138
                   +0 :              -0.00204535680686
                   +1 :              -0.00279255480827
                3p
                   -1 :              -0.00068815256808
                   +0 :               0.00114320660660
                   +1 :               0.00152006105622
                3d
                   -2 :              -0.00011878890113
                   -1 :               0.00001753202846
                   +0 :              -0.00001636719622
                   +1 :               0.00007243968113
                   +2 :               0.00000331662047
              2 vec=     7.570358      4.128785      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00007010777496
                2s
                   +0 :              -0.00018289131812
                3s
                   +0 :               0.00010891832647
                2p
                   -1 :               0.00124391412415
                   +0 :              -0.00002542564500
                   +1 :               0.00090215840380
                3p
                   -1 :              -0.00097504008366
                   +0 :              -0.00009344484129
                   +1 :              -0.00088948523119
                3d
                   -2 :              -0.00004018131911
                   -1 :              -0.00000880782019
                   +0 :              -0.00002124013292
                   +1 :              -0.00005929626836
                   +2 :              -0.00008127325172
              3 vec=    -0.209805      8.620664      8.182514   |vec|=   11.887532
                1s
                   +0 :              -0.00006535944641
                2s
                   +0 :               0.00056624639416
                3s
                   +0 :              -0.00025447462363
                2p
                   -1 :              -0.00009979983662
                   +0 :               0.00030687410802
                   +1 :               0.00002861332590
                3p
                   -1 :              -0.00000595391074
                   +0 :              -0.00012744213248
                   +1 :               0.00003290999686
                3d
                   -2 :               0.00004856604379
                   -1 :              -0.00006567432390
                   +0 :               0.00002369568237
                   +1 :               0.00004915783472
                   +2 :               0.00003329028908
              4 vec=     7.570358     -4.854973      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00008061445040
                2s
                   +0 :               0.00096233626997
                3s
                   +0 :              -0.00015639404747
                2p
                   -1 :              -0.00053727783054
                   +0 :               0.00079569469445
                   +1 :               0.00053896635201
                3p
                   -1 :               0.00011084218422
                   +0 :              -0.00023695952179
                   +1 :              -0.00033449314837
                3d
                   -2 :              -0.00000762374064
                   -1 :               0.00000133339794
                   +0 :               0.00001387060008
                   +1 :              -0.00001577280586
                   +2 :              -0.00000776342590
              5 vec=    -7.989968      4.128785      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00006975883417
                2s
                   +0 :              -0.00008334116716
                3s
                   +0 :              -0.00019456503785
                2p
                   -1 :               0.00014525329157
                   +0 :              -0.00035089963499
                   +1 :               0.00026292126180
                3p
                   -1 :              -0.00040914800594
                   +0 :               0.00031375401537
                   +1 :              -0.00017004506204
                3d
                   -2 :               0.00006202483273
                   -1 :              -0.00004035200316
                   +0 :              -0.00004242433286
                   +1 :               0.00003696172184
                   +2 :               0.00001580933611
              6 vec=    -0.209805     -9.346852      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00000336080141
                2s
                   +0 :               0.00003766834559
                3s
                   +0 :              -0.00000044047590
                2p
                   -1 :              -0.00034952945297
                   +0 :              -0.00012728874596
                   +1 :              -0.00048307832962
                3p
                   -1 :               0.00025901370802
                   +0 :               0.00009755152799
                   +1 :               0.00026230938992
                3d
                   -2 :              -0.00001269538059
                   -1 :               0.00000551968537
                   +0 :               0.00000415760100
                   +1 :               0.00000854012011
                   +2 :               0.00001249324794
              7 vec=    -7.989968     -4.854973      8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00007423823869
                2s
                   +0 :              -0.00087720544761
                3s
                   +0 :               0.00018252258157
                2p
                   -1 :               0.00057599081134
                   +0 :              -0.00056264257107
                   +1 :               0.00034699904604
                3p
                   -1 :              -0.00030035621413
                   +0 :               0.00010294846543
                   +1 :              -0.00018512894029
                3d
                   -2 :               0.00002692024631
                   -1 :               0.00000761133410
                   +0 :              -0.00003735008992
                   +1 :               0.00001629379044
                   +2 :              -0.00001199671661
              8 vec=    -0.209805     -0.363094    -16.365028   |vec|=   16.370400
                1s
                   +0 :               0.00000980543734
                2s
                   +0 :              -0.00004384956708
                3s
                   +0 :               0.00002801554463
                2p
                   -1 :              -0.00005761014308
                   +0 :              -0.00002192954059
                   +1 :              -0.00003109660057
                3p
                   -1 :               0.00005347572771
                   +0 :               0.00000887669045
                   +1 :               0.00000671905253
                3d
                   -2 :               0.00000436494211
                   -1 :              -0.00000412189495
                   +0 :              -0.00000132483054
                   +1 :              -0.00000002180874
                   +2 :              -0.00000462673178
              9 vec=     7.570358     13.112543      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00003377256938
                2s
                   +0 :              -0.00030788614358
                3s
                   +0 :               0.00016703957125
                2p
                   -1 :              -0.00033427063509
                   +0 :              -0.00024828684281
                   +1 :               0.00002524365804
                3p
                   -1 :               0.00023935482907
                   +0 :               0.00013925419955
                   +1 :               0.00000517972499
                3d
                   -2 :              -0.00000569427694
                   -1 :               0.00003284880961
                   +0 :              -0.00000046920139
                   +1 :               0.00000029187752
                   +2 :              -0.00002689345220
             10 vec=    15.350520     -0.363094      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00001179333025
                2s
                   +0 :               0.00015099741325
                3s
                   +0 :              -0.00001952720327
                2p
                   -1 :               0.00004144606581
                   +0 :               0.00013500214348
                   +1 :               0.00001934933990
                3p
                   -1 :               0.00001149165353
                   +0 :              -0.00001633253911
                   +1 :               0.00002815782792
                3d
                   -2 :               0.00000429633035
                   -1 :               0.00000077692413
                   +0 :               0.00000089960091
                   +1 :               0.00000198297632
                   +2 :               0.00000484865231
             11 vec=    -7.989968     13.112543      8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00000462654625
                2s
                   +0 :              -0.00000120862475
                3s
                   +0 :               0.00000492926604
                2p
                   -1 :              -0.00000470199717
                   +0 :               0.00016906762307
                   +1 :              -0.00002958363344
                3p
                   -1 :               0.00003634794224
                   +0 :              -0.00011038168191
                   +1 :               0.00001086638857
                3d
                   -2 :               0.00000359437363
                   -1 :              -0.00001219780942
                   +0 :              -0.00000551712842
                   +1 :               0.00000268901975
                   +2 :              -0.00000674623323
             12 vec=     7.570358    -13.838731      8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000047767134
                2s
                   +0 :               0.00000715685465
                3s
                   +0 :               0.00001224880472
                2p
                   -1 :              -0.00003300799154
                   +0 :               0.00007043020753
                   +1 :               0.00000594625057
                3p
                   -1 :               0.00001229265543
                   +0 :              -0.00003424108955
                   +1 :              -0.00000556868507
                3d
                   -2 :               0.00000356794320
                   -1 :              -0.00000025934355
                   +0 :               0.00000120108249
                   +1 :              -0.00000390181493
                   +2 :               0.00000082593692
             13 vec=   -15.770130     -0.363094      8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00000435835264
                2s
                   +0 :              -0.00007631652815
                3s
                   +0 :              -0.00000001579450
                2p
                   -1 :              -0.00005188575463
                   +0 :              -0.00005189919917
                   +1 :              -0.00004054718958
                3p
                   -1 :               0.00002952926303
                   +0 :              -0.00000190620376
                   +1 :               0.00008490689966
                3d
                   -2 :               0.00000134225159
                   -1 :              -0.00000016979562
                   +0 :              -0.00000412406944
                   +1 :               0.00000171789527
                   +2 :              -0.00000836015380
             14 vec=    -7.989968    -13.838731      8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00000401649233
                2s
                   +0 :              -0.00004543444571
                3s
                   +0 :               0.00000776542957
                2p
                   -1 :               0.00007049420426
                   +0 :              -0.00006297193634
                   +1 :              -0.00000635985590
                3p
                   -1 :              -0.00002538573383
                   +0 :               0.00004010412066
                   +1 :               0.00001693236553
                3d
                   -2 :               0.00000054233460
                   -1 :              -0.00000092420499
                   +0 :               0.00000082200144
                   +1 :               0.00000005017157
                   +2 :              -0.00000048068084
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 16)  npairs=  14
              1 vec=    -2.593647     -1.739405     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00221870863531
                2s
                   +0 :              -0.03998001277026
                3s
                   +0 :               0.00464548862483
                2p
                   -1 :               0.00812975427609
                   +0 :               0.02064105190077
                   +1 :               0.01576398906438
                3p
                   -1 :               0.00077624308397
                   +0 :               0.00033929023672
                   +1 :              -0.00751854611419
                3d
                   -2 :              -0.00054731877515
                   -1 :              -0.00176700142857
                   +0 :              -0.00133625136577
                   +1 :              -0.00047451486371
                   +2 :               0.00046751306662
              2 vec=     5.186516      2.752474     -4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00119975595700
                2s
                   +0 :               0.00710765112141
                3s
                   +0 :              -0.00402853421750
                2p
                   -1 :               0.00245001449577
                   +0 :               0.00032200713246
                   +1 :               0.00793389754967
                3p
                   -1 :              -0.00182557301552
                   +0 :              -0.00100863426674
                   +1 :              -0.00658875902037
                3d
                   -2 :              -0.00037958681826
                   -1 :               0.00009950664053
                   +0 :               0.00024272633001
                   +1 :               0.00021135552074
                   +2 :              -0.00017181205327
              3 vec=    -2.593647      7.244353     -4.091257   |vec|=    8.714702
                1s
                   +0 :              -0.00020148985046
                2s
                   +0 :               0.00143265690006
                3s
                   +0 :              -0.00059465889800
                2p
                   -1 :               0.00126315354615
                   +0 :               0.00207467019552
                   +1 :               0.00012756143402
                3p
                   -1 :              -0.00070679052301
                   +0 :              -0.00081884659293
                   +1 :              -0.00061204472552
                3d
                   -2 :              -0.00013936856094
                   -1 :               0.00012606136195
                   +0 :              -0.00008841259018
                   +1 :               0.00010382375018
                   +2 :               0.00002901212190
              4 vec=     5.186516     -6.231284     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00010811126135
                2s
                   +0 :               0.00063235170936
                3s
                   +0 :              -0.00021870013655
                2p
                   -1 :              -0.00244284533511
                   +0 :              -0.00104382772939
                   +1 :               0.00157966721645
                3p
                   -1 :               0.00190294734299
                   +0 :               0.00099565218817
                   +1 :              -0.00110970734679
                3d
                   -2 :               0.00007777376056
                   -1 :              -0.00007878687593
                   +0 :               0.00001365163955
                   +1 :               0.00001491507564
                   +2 :               0.00002221103042
              5 vec=   -10.373810      2.752474     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00014340919103
                2s
                   +0 :              -0.00134794946068
                3s
                   +0 :               0.00053419320958
                2p
                   -1 :              -0.00075759145732
                   +0 :               0.00008256175230
                   +1 :               0.00137865049810
                3p
                   -1 :               0.00064070660459
                   +0 :               0.00015632336332
                   +1 :              -0.00089210323684
                3d
                   -2 :              -0.00007815075115
                   -1 :              -0.00005981501776
                   +0 :              -0.00000759866864
                   +1 :              -0.00008778636579
                   +2 :              -0.00000103780585
              6 vec=    -2.593647    -10.723163     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00001172314610
                2s
                   +0 :              -0.00001237593374
                3s
                   +0 :              -0.00007829572740
                2p
                   -1 :              -0.00003831097666
                   +0 :              -0.00039326885540
                   +1 :              -0.00026266602334
                3p
                   -1 :               0.00023485128412
                   +0 :               0.00038309266151
                   +1 :               0.00011891284346
                3d
                   -2 :              -0.00003238945988
                   -1 :              -0.00002814117679
                   +0 :               0.00006387135534
                   +1 :               0.00003033858695
                   +2 :               0.00004077697980
              7 vec=   -10.373810     -6.231284     -4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00003386197555
                2s
                   +0 :              -0.00069338423323
                3s
                   +0 :               0.00008451601490
                2p
                   -1 :              -0.00032922522306
                   +0 :               0.00017727705161
                   +1 :               0.00038434186434
                3p
                   -1 :               0.00023185456767
                   +0 :              -0.00007401375228
                   +1 :              -0.00018262661469
                3d
                   -2 :              -0.00002495980254
                   -1 :               0.00002235964590
                   +0 :              -0.00001328926805
                   +1 :              -0.00001132606428
                   +2 :               0.00001304193107
              8 vec=     5.186516     11.736232     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00001538320684
                2s
                   +0 :               0.00009954125346
                3s
                   +0 :               0.00006812259316
                2p
                   -1 :               0.00031623015711
                   +0 :              -0.00021948565590
                   +1 :              -0.00056377513636
                3p
                   -1 :              -0.00031733409183
                   +0 :               0.00001362262196
                   +1 :               0.00040570610684
                3d
                   -2 :               0.00000986603688
                   -1 :              -0.00002043527547
                   +0 :              -0.00000355834665
                   +1 :               0.00001385533287
                   +2 :               0.00003015725202
              9 vec=    12.966678     -1.739405     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00003999131828
                2s
                   +0 :               0.00066989706420
                3s
                   +0 :               0.00000225116591
                2p
                   -1 :               0.00012582131520
                   +0 :              -0.00040758543525
                   +1 :              -0.00009892436449
                3p
                   -1 :              -0.00023626898390
                   +0 :              -0.00001341592244
                   +1 :               0.00021609038028
                3d
                   -2 :              -0.00000379500979
                   -1 :               0.00003658033911
                   +0 :               0.00002504470687
                   +1 :               0.00000061714481
                   +2 :              -0.00000686339392
             10 vec=    12.966678      7.244353     -4.091257   |vec|=   15.406290
                1s
                   +0 :              -0.00003946227666
                2s
                   +0 :               0.00027943632911
                3s
                   +0 :              -0.00006815851247
                2p
                   -1 :               0.00010108142127
                   +0 :              -0.00011907517840
                   +1 :               0.00020223865564
                3p
                   -1 :              -0.00001219756370
                   +0 :               0.00006480659851
                   +1 :              -0.00009227046420
                3d
                   -2 :               0.00000744349383
                   -1 :               0.00000292987160
                   +0 :               0.00000774848654
                   +1 :              -0.00000032139854
                   +2 :              -0.00000844488384
             11 vec=   -10.373810     11.736232     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00000815128924
                2s
                   +0 :              -0.00011310923204
                3s
                   +0 :               0.00003875027921
                2p
                   -1 :              -0.00009670996099
                   +0 :               0.00008028679798
                   +1 :               0.00007505755722
                3p
                   -1 :               0.00001957437076
                   +0 :              -0.00004358723879
                   +1 :              -0.00002907359680
                3d
                   -2 :              -0.00000033778594
                   -1 :              -0.00000833731483
                   +0 :               0.00001479261077
                   +1 :               0.00000578933165
                   +2 :               0.00000399555156
             12 vec=     5.186516    -15.215042     -4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00001436674573
                2s
                   +0 :               0.00009780604088
                3s
                   +0 :              -0.00003172743761
                2p
                   -1 :              -0.00005131732314
                   +0 :               0.00004822246304
                   +1 :              -0.00004267439298
                3p
                   -1 :              -0.00000363808471
                   +0 :              -0.00007216061756
                   +1 :               0.00002517226422
                3d
                   -2 :               0.00000137790386
                   -1 :               0.00000383410416
                   +0 :               0.00000196866721
                   +1 :               0.00000469192479
                   +2 :               0.00000373988817
             13 vec=    -2.593647     16.228111     -4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00000377844244
                2s
                   +0 :              -0.00002490585377
                3s
                   +0 :               0.00001794770779
                2p
                   -1 :              -0.00001114865592
                   +0 :               0.00003225397541
                   +1 :              -0.00001644073336
                3p
                   -1 :               0.00000749160965
                   +0 :              -0.00002438454077
                   +1 :               0.00000637728471
                3d
                   -2 :               0.00000524200775
                   -1 :               0.00000233143189
                   +0 :              -0.00000311340991
                   +1 :               0.00000146224332
                   +2 :               0.00000050312380
             14 vec=    12.966678    -10.723163     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000625622838
                2s
                   +0 :               0.00007325853288
                3s
                   +0 :              -0.00000150985075
                2p
                   -1 :              -0.00005442086394
                   +0 :              -0.00001340534329
                   +1 :              -0.00008968629774
                3p
                   -1 :               0.00000624637594
                   +0 :              -0.00002138448386
                   +1 :               0.00012258206993
                3d
                   -2 :              -0.00000623640459
                   -1 :              -0.00000256891098
                   +0 :               0.00000378757080
                   +1 :              -0.00000157184811
                   +2 :               0.00000290052218
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 17)  npairs=  14
              1 vec=     2.174037     -1.739405     -4.091257   |vec|=    4.948773
                1s
                   +0 :              -0.00108865327562
                2s
                   +0 :               0.03872254870044
                3s
                   +0 :              -0.00184027156443
                2p
                   -1 :              -0.00859907037832
                   +0 :              -0.02807503838080
                   +1 :               0.00261815482789
                3p
                   -1 :              -0.00103862588785
                   +0 :               0.00588709953658
                   +1 :               0.00140865606877
                3d
                   -2 :              -0.00081094903609
                   -1 :               0.00060558024930
                   +0 :               0.00075100093771
                   +1 :               0.00009535835159
                   +2 :              -0.00041487919682
              2 vec=    -5.606126      2.752474     -4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00013392924523
                2s
                   +0 :               0.00048401110129
                3s
                   +0 :              -0.00038621715785
                2p
                   -1 :              -0.00493206086185
                   +0 :              -0.00338452742842
                   +1 :               0.00187142998940
                3p
                   -1 :               0.00359952877807
                   +0 :               0.00423206546307
                   +1 :              -0.00016882544488
                3d
                   -2 :              -0.00024518254401
                   -1 :              -0.00006277312803
                   +0 :              -0.00032713911825
                   +1 :               0.00035479381703
                   +2 :               0.00012658269380
              3 vec=     2.174037      7.244353     -4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00042127430761
                2s
                   +0 :               0.00248897313701
                3s
                   +0 :              -0.00127572733890
                2p
                   -1 :               0.00178319817342
                   +0 :              -0.00427076730134
                   +1 :              -0.00063005955788
                3p
                   -1 :              -0.00140364235350
                   +0 :               0.00165291218392
                   +1 :               0.00003002166708
                3d
                   -2 :              -0.00003983452579
                   -1 :               0.00023356870257
                   +0 :               0.00022922953773
                   +1 :               0.00020165634870
                   +2 :               0.00018305720997
              4 vec=    -5.606126     -6.231284     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00026854011097
                2s
                   +0 :              -0.00170706114091
                3s
                   +0 :               0.00038082300784
                2p
                   -1 :               0.00041038555008
                   +0 :               0.00116153794176
                   +1 :              -0.00091820864212
                3p
                   -1 :               0.00023468695383
                   +0 :              -0.00064399119616
                   +1 :               0.00141804855102
                3d
                   -2 :              -0.00003163772625
                   -1 :               0.00011190484296
                   +0 :              -0.00001833734293
                   +1 :              -0.00002042255773
                   +2 :              -0.00002796667199
              5 vec=     9.954199      2.752474     -4.091257   |vec|=   11.108581
                1s
                   +0 :               0.00017876553736
                2s
                   +0 :              -0.00041120113837
                3s
                   +0 :               0.00051879107711
                2p
                   -1 :              -0.00029631040405
                   +0 :              -0.00080183009626
                   +1 :               0.00075499988277
                3p
                   -1 :               0.00052993077008
                   +0 :               0.00016222021332
                   +1 :              -0.00028110758361
                3d
                   -2 :               0.00000850048959
                   -1 :               0.00000227012111
                   +0 :               0.00010476409105
                   +1 :              -0.00001585321079
                   +2 :              -0.00005724077911
              6 vec=     2.174037    -10.723163     -4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00006454446298
                2s
                   +0 :              -0.00027494869908
                3s
                   +0 :               0.00011042840599
                2p
                   -1 :               0.00037146268126
                   +0 :               0.00015620455176
                   +1 :               0.00026187297444
                3p
                   -1 :              -0.00038492377853
                   +0 :              -0.00013964266390
                   +1 :              -0.00034791574828
                3d
                   -2 :               0.00003464601576
                   -1 :              -0.00003730716126
                   +0 :              -0.00002408900434
                   +1 :               0.00002848131524
                   +2 :               0.00001904873543
              7 vec=     9.954199     -6.231284     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00000432433363
                2s
                   +0 :               0.00042885680382
                3s
                   +0 :               0.00011159032528
                2p
                   -1 :              -0.00026785894170
                   +0 :              -0.00063399636079
                   +1 :               0.00031088762961
                3p
                   -1 :               0.00018707341778
                   +0 :               0.00043377569579
                   +1 :              -0.00012045705026
                3d
                   -2 :               0.00001097202379
                   -1 :              -0.00003159053957
                   +0 :              -0.00003185196898
                   +1 :               0.00005015652146
                   +2 :               0.00001774257818
              8 vec=    -5.606126     11.736232     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00004234189393
                2s
                   +0 :               0.00004593907310
                3s
                   +0 :              -0.00014798847381
                2p
                   -1 :               0.00022526585215
                   +0 :               0.00048525866321
                   +1 :              -0.00018909541767
                3p
                   -1 :              -0.00023544850825
                   +0 :              -0.00018608820447
                   +1 :              -0.00000558454339
                3d
                   -2 :              -0.00001948996031
                   -1 :               0.00001503251554
                   +0 :              -0.00001414550235
                   +1 :               0.00002616253651
                   +2 :               0.00000663486169
              9 vec=   -13.386289     -1.739405     -4.091257   |vec|=   14.105199
                1s
                   +0 :               0.00009186684922
                2s
                   +0 :              -0.00083770992015
                3s
                   +0 :               0.00021271528630
                2p
                   -1 :               0.00036494453865
                   +0 :               0.00026315410995
                   +1 :               0.00033219626178
                3p
                   -1 :              -0.00021155914971
                   +0 :              -0.00004266252219
                   +1 :              -0.00015619592040
                3d
                   -2 :               0.00002011804168
                   -1 :               0.00001542269508
                   +0 :              -0.00001210466258
                   +1 :               0.00000510084999
                   +2 :               0.00002523151106
             10 vec=   -13.386289      7.244353     -4.091257   |vec|=   15.761083
                1s
                   +0 :               0.00000545186472
                2s
                   +0 :              -0.00007027791066
                3s
                   +0 :               0.00000689399287
                2p
                   -1 :              -0.00013858817287
                   +0 :               0.00012666170504
                   +1 :              -0.00005712965479
                3p
                   -1 :               0.00009867509578
                   +0 :              -0.00004565438381
                   +1 :               0.00005433933366
                3d
                   -2 :               0.00001021747736
                   -1 :              -0.00001055994197
                   +0 :              -0.00000036499864
                   +1 :              -0.00000165746102
                   +2 :              -0.00000984626915
             11 vec=     9.954199     11.736232     -4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00006570316013
                2s
                   +0 :               0.00041171981900
                3s
                   +0 :              -0.00018437927980
                2p
                   -1 :               0.00015238907615
                   +0 :              -0.00015738306474
                   +1 :               0.00013753655560
                3p
                   -1 :              -0.00004146866565
                   +0 :               0.00009795199263
                   +1 :              -0.00009775203104
                3d
                   -2 :              -0.00000047456064
                   -1 :               0.00000614821295
                   +0 :              -0.00001007779628
                   +1 :               0.00001393093609
                   +2 :              -0.00000242142285
             12 vec=    -5.606126    -15.215042     -4.091257   |vec|=   16.723174
                1s
                   +0 :               0.00002032000323
                2s
                   +0 :              -0.00014425936858
                3s
                   +0 :               0.00005991820926
                2p
                   -1 :               0.00019112960886
                   +0 :               0.00001731799865
                   +1 :               0.00001118628195
                3p
                   -1 :              -0.00013279028031
                   +0 :              -0.00001960792403
                   +1 :              -0.00002915749913
                3d
                   -2 :               0.00000419409727
                   -1 :              -0.00000081837134
                   +0 :              -0.00000126952013
                   +1 :               0.00000793741175
                   +2 :              -0.00000316338693
             13 vec=     2.174037     16.228111     -4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00000793314920
                2s
                   +0 :               0.00005257683275
                3s
                   +0 :              -0.00001646293592
                2p
                   -1 :              -0.00004771584280
                   +0 :              -0.00000990404098
                   +1 :              -0.00002308406592
                3p
                   -1 :               0.00006299786077
                   +0 :               0.00000752648817
                   +1 :               0.00003610498321
                3d
                   -2 :              -0.00000335258612
                   -1 :               0.00000496774341
                   +0 :              -0.00000289832554
                   +1 :               0.00000101751872
                   +2 :               0.00000335979675
             14 vec=   -13.386289    -10.723163     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00001418058765
                2s
                   +0 :              -0.00010695507061
                3s
                   +0 :               0.00002704515147
                2p
                   -1 :               0.00000491481981
                   +0 :               0.00003567265157
                   +1 :               0.00009303315043
                3p
                   -1 :               0.00001229731317
                   +0 :              -0.00000508455896
                   +1 :              -0.00004427624292
                3d
                   -2 :               0.00000770161308
                   -1 :               0.00000394807228
                   +0 :              -0.00000028077374
                   +1 :              -0.00000293332157
                   +2 :               0.00000073445443
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 18)  npairs=  14
              1 vec=    -0.209805      3.115418     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00239730229210
                2s
                   +0 :              -0.01480716030027
                3s
                   +0 :               0.00568060073128
                2p
                   -1 :              -0.00620526581548
                   +0 :               0.00089145200573
                   +1 :              -0.00294989335687
                3p
                   -1 :               0.00466448995881
                   +0 :               0.00195033676304
                   +1 :              -0.00422826366333
                3d
                   -2 :              -0.00093588537994
                   -1 :              -0.00009411176920
                   +0 :              -0.00085644137284
                   +1 :               0.00139243068020
                   +2 :              -0.00004610983852
              2 vec=    -0.209805     -5.868340     -4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00007058293150
                2s
                   +0 :              -0.00166537725711
                3s
                   +0 :               0.00029028782721
                2p
                   -1 :               0.00419304842492
                   +0 :               0.00074184408530
                   +1 :               0.00258821626724
                3p
                   -1 :              -0.00316456484804
                   +0 :              -0.00020409787427
                   +1 :              -0.00288986109103
                3d
                   -2 :               0.00011464534205
                   -1 :              -0.00001504993531
                   +0 :              -0.00005804274498
                   +1 :               0.00017105347432
                   +2 :              -0.00034823731084
              3 vec=     7.570358     -1.376461     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00021687030523
                2s
                   +0 :               0.00125220321521
                3s
                   +0 :              -0.00035926537784
                2p
                   -1 :              -0.00143262392425
                   +0 :              -0.00383616439141
                   +1 :               0.00124312666128
                3p
                   -1 :               0.00013844470690
                   +0 :               0.00051260989359
                   +1 :              -0.00078675745169
                3d
                   -2 :               0.00006135674130
                   -1 :               0.00015070922904
                   +0 :               0.00020992509049
                   +1 :               0.00005535735075
                   +2 :              -0.00009292457468
              4 vec=    -7.989968     -1.376461     -4.091257   |vec|=    9.081443
                1s
                   +0 :               0.00029403534076
                2s
                   +0 :              -0.00157482770127
                3s
                   +0 :               0.00038240667509
                2p
                   -1 :               0.00201314429212
                   +0 :               0.00236517135786
                   +1 :              -0.00046681728766
                3p
                   -1 :              -0.00139292758828
                   +0 :              -0.00007787655917
                   +1 :               0.00072606855797
                3d
                   -2 :              -0.00006169573575
                   -1 :              -0.00010022421772
                   +0 :              -0.00004151015385
                   +1 :              -0.00017679908507
                   +2 :              -0.00011751362591
              5 vec=     7.570358      7.607297     -4.091257   |vec|=   11.485628
                1s
                   +0 :               0.00022203309933
                2s
                   +0 :              -0.00101076653298
                3s
                   +0 :               0.00070326977305
                2p
                   -1 :              -0.00096104501418
                   +0 :              -0.00059048969922
                   +1 :              -0.00061361006610
                3p
                   -1 :               0.00098270730702
                   +0 :               0.00024377847250
                   +1 :               0.00058067387414
                3d
                   -2 :               0.00002786334095
                   -1 :               0.00003366290286
                   +0 :               0.00004579526173
                   +1 :               0.00003543621627
                   +2 :              -0.00003817647319
              6 vec=    -7.989968      7.607297     -4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00000808395178
                2s
                   +0 :               0.00003618251097
                3s
                   +0 :              -0.00016954476805
                2p
                   -1 :              -0.00020866172882
                   +0 :               0.00045726465176
                   +1 :               0.00024968979544
                3p
                   -1 :              -0.00000913707597
                   +0 :              -0.00038378411416
                   +1 :              -0.00017363130029
                3d
                   -2 :               0.00006111918204
                   -1 :              -0.00001810186078
                   +0 :               0.00007504368329
                   +1 :              -0.00000211083044
                   +2 :               0.00002016948141
              7 vec=    -0.209805     12.099176     -4.091257   |vec|=   12.773897
                1s
                   +0 :               0.00006172292069
                2s
                   +0 :              -0.00027561937197
                3s
                   +0 :               0.00023032570177
                2p
                   -1 :              -0.00033498757352
                   +0 :              -0.00015448364186
                   +1 :               0.00028942238487
                3p
                   -1 :               0.00034303625953
                   +0 :               0.00006928764568
                   +1 :              -0.00019033345985
                3d
                   -2 :               0.00000650014801
                   -1 :              -0.00000618334346
                   +0 :              -0.00001034692406
                   +1 :              -0.00002235518081
                   +2 :              -0.00000160122271
              8 vec=     7.570358    -10.360219     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00004460445311
                2s
                   +0 :              -0.00000700284979
                3s
                   +0 :               0.00018019401271
                2p
                   -1 :               0.00039865375106
                   +0 :              -0.00020706128752
                   +1 :               0.00008478323974
                3p
                   -1 :              -0.00042810944964
                   +0 :               0.00002601858031
                   +1 :               0.00001782362267
                3d
                   -2 :              -0.00000440659275
                   -1 :              -0.00002569613530
                   +0 :               0.00002071622471
                   +1 :              -0.00000034935338
                   +2 :              -0.00002982686194
              9 vec=    -7.989968    -10.360219     -4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00004320578408
                2s
                   +0 :              -0.00060631633214
                3s
                   +0 :               0.00009470163099
                2p
                   -1 :               0.00066405704730
                   +0 :               0.00008688946435
                   +1 :               0.00014030371389
                3p
                   -1 :              -0.00042568608549
                   +0 :              -0.00001500715009
                   +1 :              -0.00003275365879
                3d
                   -2 :              -0.00000573865204
                   -1 :               0.00001277339446
                   +0 :              -0.00001392488106
                   +1 :               0.00001673283469
                   +2 :              -0.00003639233104
             10 vec=    -0.209805    -14.852098     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00002194401523
                2s
                   +0 :               0.00012927519961
                3s
                   +0 :              -0.00007771015653
                2p
                   -1 :              -0.00010768332029
                   +0 :              -0.00005902144010
                   +1 :              -0.00005641216260
                3p
                   -1 :               0.00008617072024
                   +0 :               0.00005034783656
                   +1 :               0.00000383276893
                3d
                   -2 :               0.00000074998793
                   -1 :              -0.00000910574451
                   +0 :               0.00000038318228
                   +1 :               0.00000758177608
                   +2 :               0.00000372141714
             11 vec=    15.350520      3.115418     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00001400599543
                2s
                   +0 :               0.00013857376937
                3s
                   +0 :               0.00000994028080
                2p
                   -1 :              -0.00001667164311
                   +0 :               0.00003204039861
                   +1 :               0.00008422281167
                3p
                   -1 :               0.00007009751213
                   +0 :              -0.00010279164220
                   +1 :               0.00007367088615
                3d
                   -2 :               0.00000065435408
                   -1 :              -0.00000418688862
                   +0 :              -0.00001052191741
                   +1 :              -0.00001189201063
                   +2 :               0.00001023014939
             12 vec=   -15.770130      3.115418     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00001061272379
                2s
                   +0 :              -0.00014067186259
                3s
                   +0 :               0.00004170308626
                2p
                   -1 :               0.00000704083716
                   +0 :              -0.00007341515135
                   +1 :              -0.00002114361403
                3p
                   -1 :              -0.00002347897223
                   +0 :               0.00008751384950
                   +1 :               0.00010418302081
                3d
                   -2 :              -0.00000946019236
                   -1 :              -0.00000607830095
                   +0 :               0.00000312690566
                   +1 :               0.00000859562794
                   +2 :              -0.00001853674876
             13 vec=    15.350520     -5.868340     -4.091257   |vec|=   16.935592
                1s
                   +0 :              -0.00002606680688
                2s
                   +0 :               0.00016337393943
                3s
                   +0 :              -0.00005572902769
                2p
                   -1 :               0.00000312049063
                   +0 :               0.00007397932929
                   +1 :               0.00009293563604
                3p
                   -1 :              -0.00002603610066
                   +0 :              -0.00006490082706
                   +1 :              -0.00002483456729
                3d
                   -2 :              -0.00000086827866
                   -1 :              -0.00000022067209
                   +0 :               0.00000189672705
                   +1 :               0.00000083025096
                   +2 :               0.00000528051815
             14 vec=   -15.770130     -5.868340     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00000755079443
                2s
                   +0 :              -0.00008156834892
                3s
                   +0 :               0.00001600336095
                2p
                   -1 :               0.00011072175486
                   +0 :               0.00004363727373
                   +1 :               0.00003241527905
                3p
                   -1 :              -0.00007063003709
                   +0 :              -0.00003974108552
                   +1 :               0.00002146065510
                3d
                   -2 :              -0.00000400760906
                   -1 :               0.00000578410808
                   +0 :               0.00000234879047
                   +1 :               0.00000052727221
                   +2 :              -0.00000202846268
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 19)  npairs=  14
              1 vec=    -0.419091     -0.000299     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00000631967415
                2s
                   +0 :              -0.00001459353347
                3s
                   +0 :              -0.00017421164977
                2p
                   -1 :              -0.00214211995753
                   +0 :               0.00147286243587
                   +1 :              -0.00087438426568
                3p
                   -1 :               0.00191539109904
                   +0 :              -0.00102632520729
                   +1 :              -0.00043924971336
                3d
                   -2 :              -0.00001129783144
                   -1 :              -0.00014895854150
                   +0 :               0.00017260374418
                   +1 :               0.00001504523882
                   +2 :              -0.00003662703177
              2 vec=     7.361071      4.491580     -8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00009979844009
                2s
                   +0 :              -0.00064234588397
                3s
                   +0 :               0.00029546223193
                2p
                   -1 :               0.00076352238824
                   +0 :               0.00059852599204
                   +1 :               0.00083332736164
                3p
                   -1 :              -0.00065087835658
                   +0 :              -0.00039992077209
                   +1 :              -0.00092378320082
                3d
                   -2 :              -0.00007153909161
                   -1 :               0.00007640557388
                   +0 :               0.00002887990934
                   +1 :               0.00002655748127
                   +2 :              -0.00004908311716
              3 vec=     7.361071     -4.492178     -8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00006577003489
                2s
                   +0 :               0.00011116242017
                3s
                   +0 :               0.00038150447111
                2p
                   -1 :              -0.00020164792289
                   +0 :              -0.00035538533956
                   +1 :              -0.00055906312818
                3p
                   -1 :              -0.00017927306603
                   +0 :              -0.00027131991438
                   +1 :               0.00049562229775
                3d
                   -2 :              -0.00000771723500
                   -1 :               0.00005889444692
                   +0 :              -0.00000866610146
                   +1 :               0.00000106648745
                   +2 :              -0.00002774497885
              4 vec=    -0.419091      8.983459     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00000367533079
                2s
                   +0 :              -0.00004260779759
                3s
                   +0 :               0.00010098617956
                2p
                   -1 :               0.00025325159212
                   +0 :               0.00003503702540
                   +1 :               0.00025933044371
                3p
                   -1 :              -0.00026729519265
                   +0 :              -0.00001888199635
                   +1 :              -0.00055667166534
                3d
                   -2 :              -0.00008027446136
                   -1 :              -0.00001077167111
                   +0 :              -0.00000727426950
                   +1 :               0.00002294227706
                   +2 :              -0.00004661485438
              5 vec=    -0.419091     -8.984057     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00005706725057
                2s
                   +0 :               0.00033414076505
                3s
                   +0 :              -0.00028315923051
                2p
                   -1 :              -0.00033189136718
                   +0 :              -0.00029702764710
                   +1 :              -0.00053395049019
                3p
                   -1 :               0.00040563852841
                   +0 :               0.00026129814865
                   +1 :               0.00018211631457
                3d
                   -2 :               0.00003353675818
                   -1 :              -0.00006706730349
                   +0 :              -0.00001282210077
                   +1 :              -0.00000889992639
                   +2 :               0.00005636145439
              6 vec=    -8.199254      4.491580     -8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00000711015978
                2s
                   +0 :              -0.00011886822490
                3s
                   +0 :              -0.00001945889354
                2p
                   -1 :              -0.00083054587468
                   +0 :               0.00075954366140
                   +1 :               0.00051399484689
                3p
                   -1 :               0.00058201447993
                   +0 :              -0.00060207605677
                   +1 :              -0.00035619987679
                3d
                   -2 :              -0.00002234072648
                   -1 :              -0.00004693257980
                   +0 :               0.00001363658987
                   +1 :               0.00002674999697
                   +2 :              -0.00001094609206
              7 vec=    -8.199254     -4.492178     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00007366265968
                2s
                   +0 :              -0.00087562742976
                3s
                   +0 :               0.00013462819832
                2p
                   -1 :               0.00050118202543
                   +0 :               0.00030852245338
                   +1 :               0.00065007695921
                3p
                   -1 :              -0.00019951864720
                   +0 :               0.00018410870712
                   +1 :              -0.00034855940565
                3d
                   -2 :               0.00002649645908
                   -1 :              -0.00005694096929
                   +0 :              -0.00003816428630
                   +1 :              -0.00000466319579
                   +2 :               0.00001248980572
              8 vec=    -0.419091     -0.000299     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00000769570834
                2s
                   +0 :               0.00005400092355
                3s
                   +0 :              -0.00003080116491
                2p
                   -1 :              -0.00003840999000
                   +0 :               0.00006464082557
                   +1 :               0.00001035412995
                3p
                   -1 :               0.00003457208851
                   +0 :              -0.00006713215304
                   +1 :              -0.00002013864584
                3d
                   -2 :              -0.00000267050630
                   -1 :               0.00000129776787
                   +0 :              -0.00000265832145
                   +1 :              -0.00000310594680
                   +2 :               0.00000326868789
              9 vec=    15.141234     -0.000299     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000722509527
                2s
                   +0 :               0.00010511927474
                3s
                   +0 :               0.00002353221160
                2p
                   -1 :               0.00010838085240
                   +0 :              -0.00010375361301
                   +1 :               0.00008504694856
                3p
                   -1 :              -0.00005710778176
                   +0 :               0.00004090376202
                   +1 :               0.00003111745482
                3d
                   -2 :              -0.00000132291697
                   -1 :               0.00000127908906
                   +0 :              -0.00000414342018
                   +1 :              -0.00000104578764
                   +2 :               0.00000839057400
             10 vec=     7.361071     13.475338     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000377149934
                2s
                   +0 :              -0.00000301263467
                3s
                   +0 :               0.00001592571387
                2p
                   -1 :              -0.00008864666425
                   +0 :              -0.00000278194261
                   +1 :               0.00004075460178
                3p
                   -1 :               0.00010986687362
                   +0 :              -0.00001509470999
                   +1 :              -0.00002745289028
                3d
                   -2 :               0.00000206766066
                   -1 :               0.00000070875972
                   +0 :              -0.00000297310229
                   +1 :              -0.00000233242834
                   +2 :              -0.00000260126818
             11 vec=     7.361071    -13.475936     -8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00002135121414
                2s
                   +0 :               0.00016144583658
                3s
                   +0 :              -0.00006011813125
                2p
                   -1 :              -0.00016850546555
                   +0 :              -0.00006822859010
                   +1 :               0.00004683438675
                3p
                   -1 :               0.00008885012639
                   +0 :               0.00003006925281
                   +1 :              -0.00003928385387
                3d
                   -2 :               0.00000221551320
                   -1 :              -0.00000248869769
                   +0 :              -0.00000004422321
                   +1 :               0.00000518339580
                   +2 :               0.00000311504469
             12 vec=    -8.199254     13.475338     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00001021474727
                2s
                   +0 :               0.00005640032620
                3s
                   +0 :              -0.00004664287713
                2p
                   -1 :               0.00000821571505
                   +0 :               0.00002024245701
                   +1 :               0.00000991033957
                3p
                   -1 :              -0.00001674175780
                   +0 :              -0.00000076132028
                   +1 :               0.00000091796410
                3d
                   -2 :               0.00000420401625
                   -1 :               0.00000286020779
                   +0 :               0.00000287752186
                   +1 :              -0.00000256213425
                   +2 :              -0.00000028783875
             13 vec=    -8.199254    -13.475936     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000247982154
                2s
                   +0 :              -0.00004306027001
                3s
                   +0 :              -0.00001511229066
                2p
                   -1 :              -0.00004917510082
                   +0 :               0.00003954342829
                   +1 :               0.00005920509632
                3p
                   -1 :               0.00009626426067
                   +0 :              -0.00000621562594
                   +1 :              -0.00003999623187
                3d
                   -2 :              -0.00000262334013
                   -1 :              -0.00000561789091
                   +0 :              -0.00000576566029
                   +1 :               0.00000239580301
                   +2 :               0.00000463126316
             14 vec=   -15.979417     -0.000299     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00001638149565
                2s
                   +0 :              -0.00014254283459
                3s
                   +0 :               0.00004245502988
                2p
                   -1 :              -0.00003888458228
                   +0 :               0.00002933636313
                   +1 :               0.00008379651871
                3p
                   -1 :               0.00001162589607
                   +0 :              -0.00000336006213
                   +1 :              -0.00001381914060
                3d
                   -2 :               0.00000367259284
                   -1 :               0.00000088062928
                   +0 :              -0.00000255541390
                   +1 :               0.00000334121065
                   +2 :              -0.00000030577556
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 20)  npairs=  15
              1 vec=     2.592869      4.491580     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00017295977061
                2s
                   +0 :              -0.00120812250235
                3s
                   +0 :               0.00036997431962
                2p
                   -1 :               0.00013825814729
                   +0 :               0.00116141117891
                   +1 :              -0.00298539425871
                3p
                   -1 :              -0.00044931958624
                   +0 :              -0.00065396715168
                   +1 :               0.00216168217574
                3d
                   -2 :              -0.00000066737124
                   -1 :              -0.00001539437107
                   +0 :              -0.00007570127786
                   +1 :              -0.00015670173494
                   +2 :               0.00001014521753
              2 vec=     2.592869     -4.492178     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00018592094894
                2s
                   +0 :               0.00219858837019
                3s
                   +0 :               0.00003257814622
                2p
                   -1 :              -0.00136262913376
                   +0 :              -0.00299429882588
                   +1 :               0.00020257136685
                3p
                   -1 :              -0.00050698980267
                   +0 :               0.00007687859811
                   +1 :              -0.00012515339524
                3d
                   -2 :               0.00000162581690
                   -1 :               0.00020752279710
                   +0 :               0.00008334938138
                   +1 :              -0.00009806259695
                   +2 :              -0.00008111018369
              3 vec=    -5.187294     -0.000299     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00013890291316
                2s
                   +0 :              -0.00121646642402
                3s
                   +0 :              -0.00005308965017
                2p
                   -1 :              -0.00104105338406
                   +0 :               0.00185671978128
                   +1 :              -0.00137582755373
                3p
                   -1 :              -0.00015765130373
                   +0 :              -0.00044649223143
                   +1 :               0.00171477352574
                3d
                   -2 :               0.00004097917736
                   -1 :               0.00018003757732
                   +0 :               0.00005536470143
                   +1 :              -0.00017528221295
                   +2 :              -0.00010627011351
              4 vec=    10.373032     -0.000299     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00000728033660
                2s
                   +0 :               0.00053317186087
                3s
                   +0 :              -0.00000080740457
                2p
                   -1 :               0.00056988783192
                   +0 :              -0.00004186173908
                   +1 :               0.00043181633741
                3p
                   -1 :              -0.00037218186754
                   +0 :              -0.00017462320617
                   +1 :              -0.00016826496710
                3d
                   -2 :               0.00000896756645
                   -1 :              -0.00001330057451
                   +0 :               0.00004883566289
                   +1 :              -0.00000869539898
                   +2 :              -0.00002417017331
              5 vec=    -5.187294      8.983459     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001175414075
                2s
                   +0 :              -0.00008295460653
                3s
                   +0 :               0.00005957739474
                2p
                   -1 :              -0.00036543965018
                   +0 :              -0.00007243949288
                   +1 :              -0.00016440249452
                3p
                   -1 :               0.00033557275283
                   +0 :               0.00011187098113
                   +1 :               0.00011300567695
                3d
                   -2 :              -0.00003359999409
                   -1 :               0.00000087077602
                   +0 :              -0.00001371501271
                   +1 :               0.00000436063977
                   +2 :               0.00000018378566
              6 vec=    -5.187294     -8.984057     -8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00001223907563
                2s
                   +0 :              -0.00026259532840
                3s
                   +0 :              -0.00006140571320
                2p
                   -1 :               0.00036501507523
                   +0 :               0.00025908679369
                   +1 :               0.00027162671461
                3p
                   -1 :              -0.00011366741060
                   +0 :              -0.00029589830147
                   +1 :              -0.00019723208587
                3d
                   -2 :              -0.00001389749960
                   -1 :               0.00000984030934
                   +0 :               0.00001884632812
                   +1 :               0.00002336480174
                   +2 :               0.00001081965012
              7 vec=    10.373032      8.983459     -8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00002935086798
                2s
                   +0 :              -0.00015185180936
                3s
                   +0 :               0.00011097105979
                2p
                   -1 :              -0.00007978281137
                   +0 :              -0.00021597460534
                   +1 :               0.00002182093884
                3p
                   -1 :               0.00008277398231
                   +0 :               0.00015959113459
                   +1 :               0.00001723266083
                3d
                   -2 :               0.00001171794462
                   -1 :              -0.00000993422531
                   +0 :              -0.00002063568998
                   +1 :               0.00000445874027
                   +2 :              -0.00001018901203
              8 vec=     2.592869     13.475338     -8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00001925752844
                2s
                   +0 :              -0.00009087052196
                3s
                   +0 :               0.00005368245002
                2p
                   -1 :              -0.00010462088170
                   +0 :              -0.00007215545517
                   +1 :              -0.00021704579583
                3p
                   -1 :               0.00010313529631
                   +0 :               0.00001013693395
                   +1 :               0.00017364904318
                3d
                   -2 :               0.00000753627732
                   -1 :               0.00000139333381
                   +0 :               0.00000283404533
                   +1 :               0.00000596147544
                   +2 :               0.00000557609196
              9 vec=    10.373032     -8.984057     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001966766513
                2s
                   +0 :               0.00011861408166
                3s
                   +0 :               0.00000214161160
                2p
                   -1 :              -0.00006669904403
                   +0 :               0.00001002805347
                   +1 :               0.00030721998439
                3p
                   -1 :               0.00002100862869
                   +0 :              -0.00004109521412
                   +1 :              -0.00022049492395
                3d
                   -2 :               0.00000936913986
                   -1 :               0.00000444967466
                   +0 :               0.00001271006398
                   +1 :              -0.00000385138614
                   +2 :               0.00000283057208
             10 vec=     2.592869    -13.475936     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001727523572
                2s
                   +0 :               0.00008047972799
                3s
                   +0 :              -0.00005585805806
                2p
                   -1 :              -0.00001905556335
                   +0 :              -0.00001847508607
                   +1 :              -0.00006489551458
                3p
                   -1 :               0.00002211068476
                   +0 :               0.00001768968548
                   +1 :               0.00000813736856
                3d
                   -2 :              -0.00000202292875
                   -1 :               0.00000543360248
                   +0 :              -0.00000952184804
                   +1 :               0.00000874047753
                   +2 :               0.00000633703311
             11 vec=   -12.967456      4.491580     -8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00000075059524
                2s
                   +0 :              -0.00004760324324
                3s
                   +0 :              -0.00001087082974
                2p
                   -1 :              -0.00012848265642
                   +0 :               0.00010747805537
                   +1 :              -0.00012725919221
                3p
                   -1 :               0.00007804978911
                   +0 :              -0.00004583473082
                   +1 :               0.00015038906695
                3d
                   -2 :              -0.00000997166379
                   -1 :               0.00000340534380
                   +0 :               0.00000318812656
                   +1 :               0.00000130470762
                   +2 :              -0.00000862209787
             12 vec=   -12.967456     -4.492178     -8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000960448712
                2s
                   +0 :              -0.00001234156952
                3s
                   +0 :              -0.00005148210654
                2p
                   -1 :               0.00005940666941
                   +0 :               0.00002624083123
                   +1 :               0.00006212994069
                3p
                   -1 :              -0.00002779082485
                   +0 :               0.00004256525933
                   +1 :              -0.00000483826341
                3d
                   -2 :               0.00000794205058
                   -1 :               0.00000528966373
                   +0 :              -0.00000168208083
                   +1 :              -0.00000752736246
                   +2 :              -0.00000524349922
             13 vec=     2.592869      4.491580     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000525845904
                2s
                   +0 :               0.00007831265257
                3s
                   +0 :               0.00000075357563
                2p
                   -1 :              -0.00000661697987
                   +0 :               0.00008010498967
                   +1 :              -0.00003962835245
                3p
                   -1 :               0.00000908553069
                   +0 :              -0.00000110268237
                   +1 :              -0.00001311554559
                3d
                   -2 :              -0.00000669149406
                   -1 :               0.00000363751956
                   +0 :               0.00001089638204
                   +1 :              -0.00000335717371
                   +2 :              -0.00000124632128
             14 vec=     2.592869     -4.492178     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001038673050
                2s
                   +0 :              -0.00006580681738
                3s
                   +0 :               0.00002161468528
                2p
                   -1 :               0.00000990914988
                   +0 :              -0.00002773455434
                   +1 :               0.00002639590282
                3p
                   -1 :               0.00001298977679
                   +0 :              -0.00000670524826
                   +1 :              -0.00002650980907
                3d
                   -2 :               0.00000271165231
                   -1 :               0.00000019567365
                   +0 :              -0.00000309272671
                   +1 :              -0.00000040737195
                   +2 :              -0.00000216176985
             15 vec=    -5.187294     -0.000299     16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000476232153
                2s
                   +0 :              -0.00004455273503
                3s
                   +0 :               0.00000547150097
                2p
                   -1 :               0.00000410457631
                   +0 :              -0.00002998291607
                   +1 :              -0.00001169626790
                3p
                   -1 :              -0.00000090120489
                   +0 :              -0.00001591884003
                   +1 :               0.00000357708251
                3d
                   -2 :               0.00000067513701
                   -1 :              -0.00000060243327
                   +0 :              -0.00000178181043
                   +1 :               0.00000118132718
                   +2 :              -0.00000048783817
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 21)  npairs=  15
              1 vec=     4.976970     -0.362794     -8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00016881858156
                2s
                   +0 :               0.00145913973308
                3s
                   +0 :              -0.00008259472074
                2p
                   -1 :              -0.00077936822918
                   +0 :              -0.00187576654373
                   +1 :              -0.00041934581592
                3p
                   -1 :               0.00148847160744
                   +0 :               0.00044289708714
                   +1 :               0.00096744280379
                3d
                   -2 :               0.00004111835718
                   -1 :              -0.00017931589134
                   +0 :               0.00000933239364
                   +1 :              -0.00012323080506
                   +2 :               0.00006427050303
              2 vec=    -2.803193      4.129085     -8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00032952780063
                2s
                   +0 :               0.00204663915774
                3s
                   +0 :              -0.00095413540873
                2p
                   -1 :               0.00098771779225
                   +0 :              -0.00121211002324
                   +1 :               0.00050806632927
                3p
                   -1 :              -0.00041273323586
                   +0 :               0.00058817086455
                   +1 :              -0.00053249089832
                3d
                   -2 :              -0.00009799800875
                   -1 :              -0.00002442115120
                   +0 :               0.00007786738068
                   +1 :               0.00000291506397
                   +2 :               0.00017112616592
              3 vec=    -2.803193     -4.854673     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00034463316338
                2s
                   +0 :              -0.00317098947251
                3s
                   +0 :               0.00058596408001
                2p
                   -1 :               0.00280231915183
                   +0 :               0.00205574784931
                   +1 :               0.00060999923471
                3p
                   -1 :              -0.00105543905123
                   +0 :              -0.00007736899877
                   +1 :              -0.00070665288995
                3d
                   -2 :               0.00005510214670
                   -1 :              -0.00002881745700
                   +0 :              -0.00013179504105
                   +1 :               0.00010711451514
                   +2 :               0.00004329154730
              4 vec=     4.976970      8.620964     -8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00007504429769
                2s
                   +0 :               0.00065333777013
                3s
                   +0 :              -0.00026616974025
                2p
                   -1 :              -0.00028615554567
                   +0 :              -0.00028382149808
                   +1 :               0.00050723768417
                3p
                   -1 :               0.00019275005784
                   +0 :               0.00003695334150
                   +1 :              -0.00036709921747
                3d
                   -2 :              -0.00004903292209
                   -1 :              -0.00000253314120
                   +0 :               0.00003751082174
                   +1 :               0.00003326422063
                   +2 :               0.00000623277710
              5 vec=     4.976970     -9.346552     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00003214118724
                2s
                   +0 :               0.00004660912323
                3s
                   +0 :               0.00008712610405
                2p
                   -1 :               0.00013101100461
                   +0 :               0.00029190476070
                   +1 :               0.00018699077115
                3p
                   -1 :              -0.00029997442188
                   +0 :              -0.00018747883196
                   +1 :              -0.00016376047387
                3d
                   -2 :               0.00000535565836
                   -1 :               0.00001029844565
                   +0 :               0.00002315307356
                   +1 :               0.00004183956650
                   +2 :              -0.00002848617016
              6 vec=   -10.583355     -0.362794     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00006116834119
                2s
                   +0 :              -0.00087194151587
                3s
                   +0 :               0.00018942848083
                2p
                   -1 :               0.00002829220666
                   +0 :               0.00050567481096
                   +1 :               0.00028307967592
                3p
                   -1 :              -0.00009745183173
                   +0 :              -0.00020659187763
                   +1 :              -0.00000295766437
                3d
                   -2 :               0.00004135646662
                   -1 :               0.00000491094622
                   +0 :               0.00000774896663
                   +1 :               0.00002190123188
                   +2 :               0.00000069611393
              7 vec=    12.757133      4.129085     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00001222324279
                2s
                   +0 :               0.00012177918233
                3s
                   +0 :              -0.00000254356465
                2p
                   -1 :               0.00007619548644
                   +0 :              -0.00008671138139
                   +1 :              -0.00003496440162
                3p
                   -1 :               0.00000709173601
                   +0 :              -0.00004552675174
                   +1 :               0.00010074596167
                3d
                   -2 :              -0.00001463426795
                   -1 :               0.00001952330508
                   +0 :              -0.00000408732486
                   +1 :              -0.00001464668839
                   +2 :               0.00000532248009
              8 vec=    -2.803193     13.112843     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00002657781424
                2s
                   +0 :               0.00017163844275
                3s
                   +0 :              -0.00010674646487
                2p
                   -1 :               0.00008504683233
                   +0 :               0.00002623961305
                   +1 :               0.00004263467776
                3p
                   -1 :              -0.00005198846330
                   +0 :               0.00002835212365
                   +1 :              -0.00008978676487
                3d
                   -2 :              -0.00000843333820
                   -1 :               0.00000434925801
                   +0 :              -0.00000256680936
                   +1 :               0.00001387297491
                   +2 :               0.00000229045156
              9 vec=    12.757133     -4.854673     -8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00001335984544
                2s
                   +0 :               0.00013238920204
                3s
                   +0 :              -0.00000737702952
                2p
                   -1 :              -0.00023584568665
                   +0 :              -0.00002957670712
                   +1 :               0.00005744854352
                3p
                   -1 :               0.00015604559760
                   +0 :              -0.00006547144041
                   +1 :              -0.00001913762520
                3d
                   -2 :               0.00001660228569
                   -1 :              -0.00000659751340
                   +0 :               0.00000533533180
                   +1 :              -0.00001466358414
                   +2 :              -0.00000482202288
             10 vec=   -10.583355      8.620964     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00005074321255
                2s
                   +0 :               0.00029982343000
                3s
                   +0 :              -0.00018019864589
                2p
                   -1 :               0.00010310395278
                   +0 :              -0.00000671446427
                   +1 :              -0.00010802266192
                3p
                   -1 :              -0.00011584696586
                   +0 :               0.00000158209941
                   +1 :               0.00010672473434
                3d
                   -2 :               0.00000717017566
                   -1 :              -0.00000676041754
                   +0 :              -0.00000109506308
                   +1 :              -0.00000215607521
                   +2 :               0.00000859503960
             11 vec=    -2.803193    -13.838431     -8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00002849254605
                2s
                   +0 :              -0.00017305103828
                3s
                   +0 :               0.00007255012216
                2p
                   -1 :               0.00005028236299
                   +0 :               0.00001184804799
                   +1 :               0.00003267717368
                3p
                   -1 :              -0.00001771452397
                   +0 :               0.00001076341344
                   +1 :              -0.00004903027213
                3d
                   -2 :               0.00000356071820
                   -1 :               0.00000341589753
                   +0 :              -0.00000235924196
                   +1 :               0.00000052053385
                   +2 :              -0.00000312465013
             12 vec=   -10.583355     -9.346552     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000481094566
                2s
                   +0 :              -0.00007820637371
                3s
                   +0 :              -0.00000268566037
                2p
                   -1 :               0.00008186704020
                   +0 :               0.00010964946218
                   +1 :               0.00004626275983
                3p
                   -1 :              -0.00001723984127
                   +0 :              -0.00005792581520
                   +1 :               0.00001713115388
                3d
                   -2 :              -0.00000114673020
                   -1 :               0.00000455765088
                   +0 :               0.00000916384856
                   +1 :               0.00000241113181
                   +2 :               0.00000046534997
             13 vec=     4.976970     -0.362794     16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00001277400309
                2s
                   +0 :              -0.00008613613538
                3s
                   +0 :               0.00003877084238
                2p
                   -1 :              -0.00000980593679
                   +0 :              -0.00013012930137
                   +1 :              -0.00009856038873
                3p
                   -1 :              -0.00001056463449
                   +0 :               0.00008981729032
                   +1 :               0.00007571254562
                3d
                   -2 :              -0.00000081072200
                   -1 :               0.00000144891447
                   +0 :              -0.00000273090434
                   +1 :               0.00000264966617
                   +2 :              -0.00000095015588
             14 vec=    -2.803193      4.129085     16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00000503550791
                2s
                   +0 :              -0.00006442391884
                3s
                   +0 :               0.00001180930684
                2p
                   -1 :               0.00001112893837
                   +0 :              -0.00008298860509
                   +1 :              -0.00004844846746
                3p
                   -1 :              -0.00001739965115
                   +0 :               0.00002713539463
                   +1 :               0.00001143351823
                3d
                   -2 :               0.00000002532206
                   -1 :              -0.00000258214440
                   +0 :              -0.00000121186606
                   +1 :               0.00000003562009
                   +2 :              -0.00000059848837
             15 vec=    -2.803193     -4.854673     16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000138088711
                2s
                   +0 :               0.00001507309196
                3s
                   +0 :               0.00000345195558
                2p
                   -1 :               0.00003000819302
                   +0 :               0.00000693808645
                   +1 :              -0.00011039243907
                3p
                   -1 :               0.00000889519891
                   +0 :               0.00002824199440
                   +1 :               0.00005161983198
                3d
                   -2 :              -0.00000183008552
                   -1 :               0.00000385616703
                   +0 :               0.00000160144163
                   +1 :              -0.00000078758457
                   +2 :               0.00000021208496
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 22)  npairs=  14
              1 vec=     2.593388     -1.739555      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00021564691522
                2s
                   +0 :               0.02918362165848
                3s
                   +0 :               0.00115975173045
                2p
                   -1 :              -0.00348160632102
                   +0 :               0.02013558441814
                   +1 :               0.00265862856923
                3p
                   -1 :              -0.00633355899602
                   +0 :              -0.00039887911785
                   +1 :               0.00452628813352
                3d
                   -2 :              -0.00065182723221
                   -1 :              -0.00109763325788
                   +0 :               0.00070604176095
                   +1 :               0.00158539182823
                   +2 :              -0.00018363437385
              2 vec=    -5.186775      2.752324      4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00132777134112
                2s
                   +0 :              -0.01127110013958
                3s
                   +0 :               0.00538040952314
                2p
                   -1 :              -0.00612225946942
                   +0 :              -0.01113172128268
                   +1 :               0.01405900559268
                3p
                   -1 :               0.00375107696727
                   +0 :               0.00723974593319
                   +1 :              -0.01113560312145
                3d
                   -2 :              -0.00075541223042
                   -1 :               0.00056606295541
                   +0 :               0.00047188180704
                   +1 :              -0.00102293279046
                   +2 :               0.00039203387305
              3 vec=     2.593388      7.244203      4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00034701908285
                2s
                   +0 :               0.00185960906555
                3s
                   +0 :              -0.00095177976967
                2p
                   -1 :               0.00136798594314
                   +0 :               0.00183139269678
                   +1 :              -0.00222813549487
                3p
                   -1 :              -0.00068553689943
                   +0 :               0.00050963756341
                   +1 :               0.00123743493549
                3d
                   -2 :               0.00012827157967
                   -1 :               0.00010773905049
                   +0 :               0.00007736608414
                   +1 :              -0.00004791773143
                   +2 :              -0.00000198102854
              4 vec=    -5.186775     -6.231434      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00008109894258
                2s
                   +0 :               0.00083731991285
                3s
                   +0 :              -0.00053665447251
                2p
                   -1 :              -0.00022523338279
                   +0 :              -0.00080054549296
                   +1 :               0.00207670070715
                3p
                   -1 :               0.00073986256554
                   +0 :              -0.00008046425733
                   +1 :              -0.00143744135169
                3d
                   -2 :               0.00001902986958
                   -1 :              -0.00004601397760
                   +0 :              -0.00003723611834
                   +1 :              -0.00001158410851
                   +2 :              -0.00001052407225
              5 vec=    10.373550      2.752324      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00006960418172
                2s
                   +0 :              -0.00005685448690
                3s
                   +0 :               0.00050353204893
                2p
                   -1 :               0.00061241560772
                   +0 :              -0.00042888816296
                   +1 :              -0.00026247779238
                3p
                   -1 :              -0.00022087442973
                   +0 :               0.00065549622853
                   +1 :               0.00078878532877
                3d
                   -2 :               0.00002590026481
                   -1 :               0.00003664372133
                   +0 :              -0.00002624806770
                   +1 :              -0.00000375233394
                   +2 :               0.00007471121399
              6 vec=     2.593388    -10.723313      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00002987433566
                2s
                   +0 :               0.00027298084019
                3s
                   +0 :              -0.00017501167840
                2p
                   -1 :              -0.00041712949722
                   +0 :              -0.00004327504052
                   +1 :              -0.00001646168107
                3p
                   -1 :               0.00030011244204
                   +0 :               0.00008051038007
                   +1 :              -0.00023484399488
                3d
                   -2 :               0.00001062982304
                   -1 :               0.00000768842289
                   +0 :               0.00001652037560
                   +1 :              -0.00000252076030
                   +2 :               0.00000017814767
              7 vec=    10.373550     -6.231434      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00001304783890
                2s
                   +0 :               0.00029955486831
                3s
                   +0 :               0.00010699575803
                2p
                   -1 :               0.00043662743982
                   +0 :              -0.00001743258563
                   +1 :              -0.00005318920570
                3p
                   -1 :              -0.00036851375587
                   +0 :               0.00012160755503
                   +1 :               0.00019448491844
                3d
                   -2 :              -0.00000035955063
                   -1 :               0.00000538872898
                   +0 :               0.00000201769831
                   +1 :               0.00002834688708
                   +2 :              -0.00000255526998
              8 vec=    -5.186775     11.736082      4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00009467854641
                2s
                   +0 :              -0.00077430656401
                3s
                   +0 :               0.00018365781303
                2p
                   -1 :              -0.00014718899469
                   +0 :               0.00029951145873
                   +1 :               0.00050479036633
                3p
                   -1 :               0.00001032102527
                   +0 :              -0.00038312715068
                   +1 :              -0.00047922385696
                3d
                   -2 :              -0.00003938936168
                   -1 :              -0.00004144014922
                   +0 :              -0.00001168961558
                   +1 :               0.00001619921886
                   +2 :               0.00004406663681
              9 vec=   -12.966938     -1.739555      4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00006642366614
                2s
                   +0 :              -0.00003153474594
                3s
                   +0 :              -0.00020668953710
                2p
                   -1 :               0.00008486229356
                   +0 :               0.00021017432207
                   +1 :               0.00086219813293
                3p
                   -1 :              -0.00004584830890
                   +0 :              -0.00026232266693
                   +1 :              -0.00062597118455
                3d
                   -2 :               0.00001824981010
                   -1 :              -0.00000206779148
                   +0 :              -0.00002392268705
                   +1 :               0.00001299253105
                   +2 :               0.00002333704471
             10 vec=   -12.966938      7.244203      4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00000047456268
                2s
                   +0 :              -0.00002414180588
                3s
                   +0 :              -0.00007863439915
                2p
                   -1 :               0.00013070359531
                   +0 :              -0.00009427690169
                   +1 :               0.00013541633355
                3p
                   -1 :              -0.00017828623628
                   +0 :               0.00001548761968
                   +1 :              -0.00005682095920
                3d
                   -2 :               0.00000780457859
                   -1 :              -0.00000770285569
                   +0 :              -0.00000941948292
                   +1 :               0.00000605363656
                   +2 :               0.00001157248086
             11 vec=    10.373550     11.736082      4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00001807115327
                2s
                   +0 :               0.00019449903872
                3s
                   +0 :              -0.00001108220186
                2p
                   -1 :               0.00006048547009
                   +0 :               0.00004430060301
                   +1 :              -0.00003452980010
                3p
                   -1 :               0.00006255104570
                   +0 :               0.00000484040555
                   +1 :               0.00011903083330
                3d
                   -2 :               0.00002089218291
                   -1 :               0.00000089935309
                   +0 :              -0.00001158944568
                   +1 :               0.00001385770484
                   +2 :              -0.00000652905058
             12 vec=    -5.186775    -15.215192      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00000140899230
                2s
                   +0 :              -0.00003059218792
                3s
                   +0 :               0.00001034199604
                2p
                   -1 :               0.00006187288336
                   +0 :               0.00007191903638
                   +1 :              -0.00004618076431
                3p
                   -1 :              -0.00003211635158
                   +0 :              -0.00005202872530
                   +1 :               0.00001239767734
                3d
                   -2 :              -0.00000447832250
                   -1 :              -0.00000072871614
                   +0 :              -0.00000310168220
                   +1 :               0.00000106106209
                   +2 :              -0.00000053292354
             13 vec=     2.593388     16.227961      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00001699941913
                2s
                   +0 :               0.00012197058146
                3s
                   +0 :              -0.00005453929253
                2p
                   -1 :               0.00014047726287
                   +0 :              -0.00009626788702
                   +1 :              -0.00000476056699
                3p
                   -1 :              -0.00009361532413
                   +0 :               0.00006258856632
                   +1 :              -0.00000879733711
                3d
                   -2 :              -0.00000060352085
                   -1 :              -0.00000031395878
                   +0 :              -0.00000061555992
                   +1 :              -0.00000224003673
                   +2 :              -0.00000049387620
             14 vec=   -12.966938    -10.723313      4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00002284749499
                2s
                   +0 :              -0.00016516385217
                3s
                   +0 :               0.00007329592177
                2p
                   -1 :               0.00006001005398
                   +0 :              -0.00009129255980
                   +1 :               0.00019058537910
                3p
                   -1 :              -0.00002242150466
                   +0 :               0.00003201033754
                   +1 :              -0.00011792730175
                3d
                   -2 :              -0.00000015366773
                   -1 :               0.00000162139571
                   +0 :              -0.00000262066221
                   +1 :              -0.00000058701371
                   +2 :               0.00000095012426
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 23)  npairs=  14
              1 vec=    -0.419610      2.752324      4.091257   |vec|=    4.948711
                1s
                   +0 :               0.00067598352527
                2s
                   +0 :              -0.01039523789538
                3s
                   +0 :               0.00180372410782
                2p
                   -1 :              -0.00551216102604
                   +0 :              -0.00603730474987
                   +1 :              -0.00871298696781
                3p
                   -1 :               0.00471289819326
                   +0 :              -0.00073303924317
                   +1 :              -0.00333437609493
                3d
                   -2 :              -0.00120793298994
                   -1 :              -0.00041354084613
                   +0 :              -0.00102989442810
                   +1 :              -0.00163264842026
                   +2 :               0.00025778539529
              2 vec=    -0.419610     -6.231434      4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00021625115667
                2s
                   +0 :               0.00137337096372
                3s
                   +0 :              -0.00075543658262
                2p
                   -1 :              -0.00015518563658
                   +0 :               0.00023226708297
                   +1 :              -0.00099325126753
                3p
                   -1 :              -0.00003212700774
                   +0 :              -0.00020654976248
                   +1 :               0.00032560513079
                3d
                   -2 :              -0.00002106242207
                   -1 :              -0.00009216414318
                   +0 :              -0.00002014968484
                   +1 :              -0.00001576468096
                   +2 :               0.00002841104317
              3 vec=     7.360553     -1.739555      4.091257   |vec|=    8.598963
                1s
                   +0 :              -0.00039931731896
                2s
                   +0 :               0.00166104525092
                3s
                   +0 :              -0.00063365129799
                2p
                   -1 :              -0.00033384287234
                   +0 :               0.00056903550686
                   +1 :               0.00237526665485
                3p
                   -1 :              -0.00015753875935
                   +0 :               0.00091076993586
                   +1 :              -0.00128023131752
                3d
                   -2 :               0.00007694892105
                   -1 :              -0.00006155449441
                   +0 :               0.00032520944992
                   +1 :              -0.00009678302177
                   +2 :              -0.00008171998790
              4 vec=    -8.199773     -1.739555      4.091257   |vec|=    9.327417
                1s
                   +0 :               0.00058625251761
                2s
                   +0 :              -0.00362612642171
                3s
                   +0 :               0.00125707302693
                2p
                   -1 :               0.00055705693226
                   +0 :              -0.00214942066785
                   +1 :               0.00200175076530
                3p
                   -1 :              -0.00012744621499
                   +0 :               0.00026506393334
                   +1 :              -0.00087685030296
                3d
                   -2 :               0.00020934426849
                   -1 :               0.00017346826333
                   +0 :              -0.00019936544336
                   +1 :              -0.00011113558973
                   +2 :               0.00006990601093
              5 vec=     7.360553      7.244203      4.091257   |vec|=   11.108312
                1s
                   +0 :               0.00007401344974
                2s
                   +0 :              -0.00002952517675
                3s
                   +0 :               0.00010168964463
                2p
                   -1 :               0.00240117068670
                   +0 :               0.00085546280183
                   +1 :               0.00099986236587
                3p
                   -1 :              -0.00172412978460
                   +0 :              -0.00043405372994
                   +1 :              -0.00078134868361
                3d
                   -2 :              -0.00015359378324
                   -1 :               0.00006369578189
                   +0 :               0.00019590013266
                   +1 :               0.00000151212676
                   +2 :              -0.00005204756647
              6 vec=    -8.199773      7.244203      4.091257   |vec|=   11.681316
                1s
                   +0 :              -0.00005746145852
                2s
                   +0 :               0.00025085875299
                3s
                   +0 :              -0.00020924522847
                2p
                   -1 :              -0.00034995335736
                   +0 :               0.00009244328916
                   +1 :              -0.00052621529113
                3p
                   -1 :               0.00014213722251
                   +0 :              -0.00007879803300
                   +1 :               0.00057742390108
                3d
                   -2 :               0.00015561546469
                   -1 :              -0.00008060611326
                   +0 :               0.00007084146408
                   +1 :              -0.00002051454123
                   +2 :               0.00004895660076
              7 vec=    -0.419610     11.736082      4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00001231035287
                2s
                   +0 :              -0.00004394820878
                3s
                   +0 :               0.00009330082409
                2p
                   -1 :              -0.00039214699254
                   +0 :               0.00025677511914
                   +1 :              -0.00057227388307
                3p
                   -1 :               0.00040739523998
                   +0 :               0.00003650638228
                   +1 :               0.00044870825930
                3d
                   -2 :               0.00002196190452
                   -1 :               0.00002110112062
                   +0 :              -0.00001006193382
                   +1 :               0.00000352098826
                   +2 :               0.00000943620585
              8 vec=     7.360553    -10.723313      4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00001329021133
                2s
                   +0 :               0.00033907369833
                3s
                   +0 :               0.00003451178990
                2p
                   -1 :              -0.00015561113404
                   +0 :               0.00014179538872
                   +1 :               0.00018124105146
                3p
                   -1 :              -0.00008529249103
                   +0 :               0.00005743400431
                   +1 :              -0.00011860924456
                3d
                   -2 :              -0.00000344230449
                   -1 :              -0.00000106834070
                   +0 :               0.00000208651741
                   +1 :               0.00000990592743
                   +2 :              -0.00001877268613
              9 vec=    -8.199773    -10.723313      4.091257   |vec|=   14.105463
                1s
                   +0 :               0.00005877181192
                2s
                   +0 :              -0.00052666992724
                3s
                   +0 :               0.00013320807495
                2p
                   -1 :               0.00004613316623
                   +0 :              -0.00008088974128
                   +1 :               0.00014079406113
                3p
                   -1 :               0.00008662359821
                   +0 :              -0.00003643402371
                   +1 :              -0.00000965826724
                3d
                   -2 :               0.00000129985499
                   -1 :               0.00000858814575
                   +0 :              -0.00001308427037
                   +1 :              -0.00000333583009
                   +2 :               0.00000287845208
             10 vec=    -0.419610    -15.215192      4.091257   |vec|=   15.761235
                1s
                   +0 :               0.00001197164425
                2s
                   +0 :              -0.00008256987732
                3s
                   +0 :               0.00004104410532
                2p
                   -1 :               0.00002507075967
                   +0 :              -0.00005623379603
                   +1 :              -0.00002121342546
                3p
                   -1 :              -0.00002184210460
                   +0 :               0.00003589645426
                   +1 :              -0.00001889977850
                3d
                   -2 :               0.00000495102203
                   -1 :               0.00000544654136
                   +0 :               0.00000015302468
                   +1 :               0.00000471223303
                   +2 :               0.00000237512697
             11 vec=    15.140715      2.752324      4.091257   |vec|=   15.923408
                1s
                   +0 :              -0.00005854846061
                2s
                   +0 :               0.00042060324343
                3s
                   +0 :              -0.00017363543250
                2p
                   -1 :               0.00020203021340
                   +0 :               0.00008087323780
                   +1 :               0.00035764282030
                3p
                   -1 :              -0.00015313973902
                   +0 :              -0.00001932345129
                   +1 :              -0.00015899338028
                3d
                   -2 :              -0.00001364634380
                   -1 :              -0.00000584464461
                   +0 :              -0.00001645486027
                   +1 :               0.00000315938373
                   +2 :               0.00000074936897
             12 vec=   -15.979935      2.752324      4.091257   |vec|=   16.723397
                1s
                   +0 :               0.00002062165053
                2s
                   +0 :              -0.00017718783497
                3s
                   +0 :               0.00006647510167
                2p
                   -1 :               0.00015792965873
                   +0 :              -0.00000271154375
                   +1 :               0.00034733817517
                3p
                   -1 :              -0.00016893968827
                   +0 :              -0.00002157790509
                   +1 :              -0.00025299329652
                3d
                   -2 :               0.00000237464060
                   -1 :               0.00000023648860
                   +0 :              -0.00001157032591
                   +1 :              -0.00000571467115
                   +2 :               0.00001122845767
             13 vec=    15.140715     -6.231434      4.091257   |vec|=   16.876327
                1s
                   +0 :              -0.00002422578378
                2s
                   +0 :               0.00019766641181
                3s
                   +0 :              -0.00005983567364
                2p
                   -1 :              -0.00005571222389
                   +0 :               0.00006418993781
                   +1 :               0.00011649399260
                3p
                   -1 :              -0.00000370502625
                   +0 :              -0.00001879801300
                   +1 :              -0.00000784148188
                3d
                   -2 :              -0.00000433608512
                   -1 :              -0.00000030063768
                   +0 :               0.00000118286216
                   +1 :              -0.00000651558829
                   +2 :              -0.00000774288149
             14 vec=   -15.979935     -6.231434      4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00000474764919
                2s
                   +0 :              -0.00006138717001
                3s
                   +0 :               0.00000151053688
                2p
                   -1 :               0.00002457029109
                   +0 :               0.00002056952767
                   +1 :               0.00003382338075
                3p
                   -1 :               0.00002217324154
                   +0 :              -0.00002705619535
                   +1 :               0.00000965771033
                3d
                   -2 :              -0.00000419241898
                   -1 :               0.00000533951665
                   +0 :               0.00000124407907
                   +1 :               0.00000001661036
                   +2 :               0.00000126799760
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 24)  npairs=  14
              1 vec=    -2.803193     -1.376162      4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00070858485843
                2s
                   +0 :              -0.03403491963635
                3s
                   +0 :              -0.00002601207985
                2p
                   -1 :               0.00976543709040
                   +0 :              -0.02284012125562
                   +1 :               0.00546990948710
                3p
                   -1 :              -0.00020998873930
                   +0 :              -0.00116279144598
                   +1 :               0.00113971152794
                3d
                   -2 :              -0.00039610190688
                   -1 :               0.00131157247121
                   +0 :              -0.00178017596101
                   +1 :               0.00148205923184
                   +2 :              -0.00004848428429
              2 vec=     4.976970      3.115717      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00183297697592
                2s
                   +0 :               0.01170243854839
                3s
                   +0 :              -0.00593844277063
                2p
                   -1 :               0.00196127797444
                   +0 :               0.00110243722330
                   +1 :               0.01083469165140
                3p
                   -1 :              -0.00034693198619
                   +0 :              -0.00026908268065
                   +1 :              -0.00845965985484
                3d
                   -2 :              -0.00051107033835
                   -1 :              -0.00015679626659
                   +0 :               0.00024836558307
                   +1 :              -0.00013371512280
                   +2 :              -0.00040272568045
              3 vec=     4.976970     -5.868041      4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00019420576762
                2s
                   +0 :               0.00051429583298
                3s
                   +0 :              -0.00023006714835
                2p
                   -1 :              -0.00257782590607
                   +0 :              -0.00239362685733
                   +1 :               0.00191693669380
                3p
                   -1 :               0.00100402711499
                   +0 :               0.00106691866452
                   +1 :              -0.00089319292370
                3d
                   -2 :               0.00005447161680
                   -1 :              -0.00006629717993
                   +0 :              -0.00005050936884
                   +1 :              -0.00013197179940
                   +2 :              -0.00002076259552
              4 vec=    -2.803193      7.607596      4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00024539016641
                2s
                   +0 :              -0.00112319490585
                3s
                   +0 :               0.00048438525001
                2p
                   -1 :               0.00114184417499
                   +0 :              -0.00271770133195
                   +1 :              -0.00236672234387
                3p
                   -1 :              -0.00158382617912
                   +0 :               0.00098747313905
                   +1 :               0.00139621578520
                3d
                   -2 :               0.00010808752408
                   -1 :              -0.00000647643715
                   +0 :               0.00005636706041
                   +1 :               0.00016317972538
                   +2 :               0.00007954288159
              5 vec=    -2.803193    -10.359920      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00008504944964
                2s
                   +0 :              -0.00056857340642
                3s
                   +0 :               0.00030864295524
                2p
                   -1 :               0.00059948136543
                   +0 :              -0.00013845710943
                   +1 :              -0.00033624299223
                3p
                   -1 :              -0.00037287573154
                   +0 :               0.00002813561601
                   +1 :               0.00010926711442
                3d
                   -2 :              -0.00000674421610
                   -1 :              -0.00002189171608
                   +0 :               0.00003681933787
                   +1 :               0.00000518464130
                   +2 :              -0.00001709340658
              6 vec=   -10.583355      3.115717      4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00004167501196
                2s
                   +0 :              -0.00051244488421
                3s
                   +0 :               0.00006862621894
                2p
                   -1 :              -0.00010391598720
                   +0 :              -0.00035737787236
                   +1 :              -0.00026989396472
                3p
                   -1 :              -0.00009180081744
                   +0 :               0.00020271582984
                   +1 :               0.00042970930296
                3d
                   -2 :               0.00005605213861
                   -1 :              -0.00003880084212
                   +0 :              -0.00000092737110
                   +1 :              -0.00001400943461
                   +2 :              -0.00006625758073
              7 vec=   -10.583355     -5.868041      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00002920829603
                2s
                   +0 :              -0.00062006024323
                3s
                   +0 :               0.00006869159836
                2p
                   -1 :               0.00008451793778
                   +0 :               0.00034511484792
                   +1 :               0.00004878606877
                3p
                   -1 :               0.00002915612589
                   +0 :              -0.00028409171509
                   +1 :               0.00004980669197
                3d
                   -2 :               0.00003022374071
                   -1 :              -0.00000117111401
                   +0 :              -0.00002384722486
                   +1 :               0.00001411561712
                   +2 :              -0.00001586291492
              8 vec=    12.757133     -1.376162      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00002029044962
                2s
                   +0 :               0.00063709668843
                3s
                   +0 :               0.00006316857756
                2p
                   -1 :              -0.00068432775823
                   +0 :               0.00079476547921
                   +1 :               0.00044650362448
                3p
                   -1 :               0.00044177386548
                   +0 :              -0.00011763430474
                   +1 :              -0.00018066453403
                3d
                   -2 :               0.00000184637768
                   -1 :              -0.00001008396127
                   +0 :               0.00001970530270
                   +1 :               0.00000526314774
                   +2 :               0.00000828492799
              9 vec=     4.976970     12.099475      4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00008156200891
                2s
                   +0 :               0.00068422943764
                3s
                   +0 :              -0.00019838914612
                2p
                   -1 :               0.00006486941981
                   +0 :               0.00033849499337
                   +1 :               0.00018772525262
                3p
                   -1 :               0.00005668253789
                   +0 :              -0.00011946889143
                   +1 :              -0.00025316465049
                3d
                   -2 :              -0.00001783125362
                   -1 :               0.00000497225637
                   +0 :               0.00001989272798
                   +1 :              -0.00002456912643
                   +2 :               0.00000272061801
             10 vec=    12.757133      7.607596      4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00000837811026
                2s
                   +0 :               0.00008961347750
                3s
                   +0 :               0.00000960188485
                2p
                   -1 :               0.00004188709825
                   +0 :               0.00008832210290
                   +1 :               0.00006553231136
                3p
                   -1 :               0.00003224636421
                   +0 :              -0.00002646103030
                   +1 :               0.00000259606150
                3d
                   -2 :               0.00000487234034
                   -1 :              -0.00000575209138
                   +0 :              -0.00000679581197
                   +1 :               0.00000347360556
                   +2 :               0.00001644273038
             11 vec=     4.976970    -14.851799      4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000836272469
                2s
                   +0 :              -0.00002665660579
                3s
                   +0 :               0.00004360979886
                2p
                   -1 :              -0.00001254746838
                   +0 :               0.00002688188401
                   +1 :              -0.00003499837927
                3p
                   -1 :              -0.00003459639305
                   +0 :               0.00000709875494
                   +1 :               0.00000286507945
                3d
                   -2 :               0.00000234396687
                   -1 :              -0.00000317907480
                   +0 :               0.00000233086390
                   +1 :               0.00000008785372
                   +2 :               0.00000224823973
             12 vec=   -10.583355     12.099475      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00002620250586
                2s
                   +0 :              -0.00021481048409
                3s
                   +0 :               0.00005317461884
                2p
                   -1 :              -0.00004053710261
                   +0 :               0.00000155233127
                   +1 :              -0.00001575965236
                3p
                   -1 :              -0.00004082427755
                   +0 :              -0.00000931893978
                   +1 :               0.00007964374162
                3d
                   -2 :               0.00000300269236
                   -1 :               0.00000267746462
                   +0 :              -0.00000265739784
                   +1 :              -0.00000128071632
                   +2 :              -0.00001400054339
             13 vec=    12.757133    -10.359920      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00001536030841
                2s
                   +0 :               0.00009806778506
                3s
                   +0 :              -0.00002985164087
                2p
                   -1 :              -0.00012644897919
                   +0 :              -0.00000117929113
                   +1 :               0.00005755202744
                3p
                   -1 :               0.00004479723878
                   +0 :               0.00004704807602
                   +1 :               0.00000856384293
                3d
                   -2 :               0.00000470488935
                   -1 :               0.00000010362083
                   +0 :               0.00000040860353
                   +1 :              -0.00000575448012
                   +2 :               0.00000443252248
             14 vec=    -2.803193     16.591354      4.091257   |vec|=   17.316735
                1s
                   +0 :               0.00001509337629
                2s
                   +0 :              -0.00008745422868
                3s
                   +0 :               0.00004913991078
                2p
                   -1 :               0.00001638398231
                   +0 :               0.00000240831993
                   +1 :              -0.00003143486418
                3p
                   -1 :              -0.00001197480460
                   +0 :               0.00001310657463
                   +1 :               0.00003268205570
                3d
                   -2 :               0.00000030571510
                   -1 :              -0.00000245992898
                   +0 :              -0.00000530367907
                   +1 :               0.00000193872182
                   +2 :              -0.00000294701471
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 25)  npairs=  12
              1 vec=     4.767165      0.000000      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00510258653245
                2s
                   +0 :               0.11536260941167
                3s
                   +0 :              -0.01209232131290
                2p
                   -1 :              -0.00726332662027
                   +0 :               0.00411926423375
                   +1 :               0.07078524953421
                3p
                   -1 :               0.00363831393464
                   +0 :              -0.00368529927680
                   +1 :              -0.00986800579716
                3d
                   -2 :               0.00124901713896
                   -1 :               0.00106623988640
                   +0 :              -0.00240131363998
                   +1 :              -0.00016131226501
                   +2 :               0.00357593677461
              2 vec=    -3.012998     -4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00153658492168
                2s
                   +0 :              -0.03028524782322
                3s
                   +0 :               0.00285786705948
                2p
                   -1 :               0.02126735763657
                   +0 :               0.00202088140328
                   +1 :               0.00969326861324
                3p
                   -1 :              -0.00248566724996
                   +0 :              -0.00159586205624
                   +1 :              -0.00046918135648
                3d
                   -2 :              -0.00085757583501
                   -1 :              -0.00034055532409
                   +0 :               0.00076905125758
                   +1 :              -0.00031058031317
                   +2 :               0.00114879888756
              3 vec=    -3.012998      4.491879      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00018204679230
                2s
                   +0 :              -0.02660564699274
                3s
                   +0 :              -0.00475288076577
                2p
                   -1 :              -0.02128027525988
                   +0 :               0.00304616120198
                   +1 :               0.00836364360023
                3p
                   -1 :              -0.00444306652555
                   +0 :              -0.00344709779438
                   +1 :               0.00189734730198
                3d
                   -2 :               0.00187740918403
                   -1 :              -0.00070052874524
                   +0 :               0.00125069751056
                   +1 :              -0.00054923489128
                   +2 :               0.00147114723298
              4 vec=     4.767165     -8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00022731113704
                2s
                   +0 :               0.00250264493868
                3s
                   +0 :              -0.00043925385097
                2p
                   -1 :              -0.00256198159970
                   +0 :              -0.00035908831805
                   +1 :               0.00160137148561
                3p
                   -1 :               0.00053258076918
                   +0 :               0.00021237196341
                   +1 :              -0.00062404196818
                3d
                   -2 :              -0.00001836382602
                   -1 :               0.00006028389360
                   +0 :               0.00004810633646
                   +1 :               0.00001808272330
                   +2 :              -0.00005560473048
              5 vec=     4.767165      8.983758      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00022917674918
                2s
                   +0 :               0.00257703534400
                3s
                   +0 :              -0.00004237105087
                2p
                   -1 :               0.00373568852977
                   +0 :               0.00021610010780
                   +1 :               0.00105574325048
                3p
                   -1 :               0.00024455330466
                   +0 :               0.00007653501808
                   +1 :               0.00012731355790
                3d
                   -2 :               0.00025336373484
                   -1 :               0.00009825078507
                   +0 :              -0.00019234929255
                   +1 :               0.00000378168992
                   +2 :              -0.00014960637060
              6 vec=   -10.793160     -0.000000      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00099654829405
                2s
                   +0 :              -0.00825341593066
                3s
                   +0 :               0.00253701455107
                2p
                   -1 :               0.00009635198556
                   +0 :              -0.00178232436943
                   +1 :               0.00773055340043
                3p
                   -1 :              -0.00027025417862
                   +0 :               0.00167177007629
                   +1 :              -0.00256739515651
                3d
                   -2 :               0.00006438830637
                   -1 :              -0.00004012776915
                   +0 :               0.00007157358875
                   +1 :              -0.00009151503074
                   +2 :              -0.00006648622206
              7 vec=    12.547328     -4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00007685252937
                2s
                   +0 :               0.00104308858747
                3s
                   +0 :              -0.00001773688166
                2p
                   -1 :              -0.00043641286101
                   +0 :               0.00008626600417
                   +1 :              -0.00027039997665
                3p
                   -1 :              -0.00009136306488
                   +0 :              -0.00010460709622
                   +1 :               0.00031639537393
                3d
                   -2 :              -0.00000244953724
                   -1 :               0.00001735658014
                   +0 :              -0.00001932828552
                   +1 :              -0.00000364144519
                   +2 :              -0.00004019799896
              8 vec=    12.547328      4.491879      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00000118038309
                2s
                   +0 :               0.00054110089050
                3s
                   +0 :               0.00010085088405
                2p
                   -1 :               0.00030719010003
                   +0 :              -0.00007982117514
                   +1 :              -0.00019074834357
                3p
                   -1 :              -0.00007612458886
                   +0 :               0.00005230787969
                   +1 :               0.00029591557241
                3d
                   -2 :              -0.00003241806606
                   -1 :              -0.00000157914088
                   +0 :              -0.00002336948124
                   +1 :              -0.00000710747691
                   +2 :               0.00000872432140
              9 vec=    -3.012998    -13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00001204843242
                2s
                   +0 :              -0.00014926434049
                3s
                   +0 :               0.00005006389682
                2p
                   -1 :               0.00008865519528
                   +0 :              -0.00004974036127
                   +1 :              -0.00023627902658
                3p
                   -1 :              -0.00006538050649
                   +0 :               0.00003046356951
                   +1 :              -0.00010713175599
                3d
                   -2 :               0.00004968765806
                   -1 :               0.00000255866297
                   +0 :              -0.00001330539297
                   +1 :               0.00001410773168
                   +2 :              -0.00000810070195
             10 vec=    -3.012998     13.475637      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00005809918433
                2s
                   +0 :               0.00041132385954
                3s
                   +0 :              -0.00016130550504
                2p
                   -1 :               0.00032701121892
                   +0 :              -0.00009474763948
                   +1 :              -0.00055356806860
                3p
                   -1 :              -0.00018093392927
                   +0 :               0.00009729559751
                   +1 :               0.00009553238630
                3d
                   -2 :              -0.00004178802726
                   -1 :               0.00000030638436
                   +0 :               0.00002826944621
                   +1 :               0.00000612576018
                   +2 :              -0.00000090180249
             11 vec=   -10.793160     -8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00005643134856
                2s
                   +0 :              -0.00074827563647
                3s
                   +0 :               0.00014641808580
                2p
                   -1 :               0.00029647634922
                   +0 :               0.00008742960573
                   +1 :               0.00027037119568
                3p
                   -1 :               0.00001557999591
                   +0 :              -0.00005803869546
                   +1 :               0.00002186142084
                3d
                   -2 :              -0.00000748658711
                   -1 :              -0.00001028851623
                   +0 :               0.00000956202855
                   +1 :              -0.00000121196527
                   +2 :               0.00001588427290
             12 vec=   -10.793160      8.983758      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00009982036626
                2s
                   +0 :              -0.00094436977833
                3s
                   +0 :               0.00026549408154
                2p
                   -1 :               0.00001685006631
                   +0 :               0.00015889450325
                   +1 :               0.00072540294429
                3p
                   -1 :              -0.00002267654826
                   +0 :              -0.00012350661885
                   +1 :              -0.00037486448815
                3d
                   -2 :              -0.00002663631027
                   -1 :               0.00000278466731
                   +0 :              -0.00002052263533
                   +1 :               0.00000141744736
                   +2 :               0.00000707568336
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 26)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00148703425710
                2s
                   +0 :               0.00225393140736
                3s
                   +0 :               0.00628137503362
                2p
                   -1 :              -0.00840905239841
                   +0 :               0.01543548535139
                   +1 :               0.86811093518232
                3p
                   -1 :               0.00366448870779
                   +0 :              -0.00589237709114
                   +1 :              -0.03822271848395
                3d
                   -2 :               0.00376560042524
                   -1 :              -0.00078867686739
                   +0 :               0.00131006471052
                   +1 :               0.00223899242753
                   +2 :               0.00073679143342
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00049319688747
                2s
                   +0 :              -0.00179694804042
                3s
                   +0 :               0.00026887488201
                2p
                   -1 :               0.00160298166760
                   +0 :              -0.00001098249014
                   +1 :               0.00067200471723
                3p
                   -1 :               0.00063920286834
                   +0 :               0.00002917631997
                   +1 :               0.00000729292738
                3d
                   -2 :               0.00001547189310
                   -1 :               0.00021965486811
                   +0 :               0.00010109963118
                   +1 :              -0.00000650141021
                   +2 :               0.00029919102421
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00011104752632
                2s
                   +0 :               0.00119719860373
                3s
                   +0 :              -0.00081072879611
                2p
                   -1 :               0.00095984753724
                   +0 :              -0.00024042042681
                   +1 :              -0.00072089818549
                3p
                   -1 :              -0.00098621328777
                   +0 :               0.00017769794877
                   +1 :               0.00134709363311
                3d
                   -2 :               0.00011186148742
                   -1 :              -0.00009607911079
                   +0 :              -0.00015379734831
                   +1 :              -0.00012190533754
                   +2 :              -0.00021486452753
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00026157636735
                2s
                   +0 :               0.00188443706236
                3s
                   +0 :              -0.00098512053664
                2p
                   -1 :              -0.00211133741007
                   +0 :               0.00030120254324
                   +1 :              -0.00298113789707
                3p
                   -1 :               0.00153377978921
                   +0 :              -0.00020725498617
                   +1 :               0.00099933176885
                3d
                   -2 :              -0.00002579987500
                   -1 :               0.00007143477578
                   +0 :               0.00000358526614
                   +1 :               0.00002932480272
                   +2 :               0.00004857889994
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00029016477744
                2s
                   +0 :              -0.00141263603562
                3s
                   +0 :               0.00118654561785
                2p
                   -1 :              -0.00000507600685
                   +0 :              -0.00042324137898
                   +1 :              -0.00265099698835
                3p
                   -1 :               0.00125581973475
                   +0 :               0.00032559073435
                   +1 :               0.00036364569592
                3d
                   -2 :              -0.00022769761237
                   -1 :              -0.00000179081501
                   +0 :              -0.00007251806138
                   +1 :               0.00006109000226
                   +2 :              -0.00011426612041
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00011682976858
                2s
                   +0 :               0.00079347468798
                3s
                   +0 :               0.00012195161064
                2p
                   -1 :              -0.00141254741463
                   +0 :               0.00130128547570
                   +1 :               0.00050491776260
                3p
                   -1 :              -0.00099169215448
                   +0 :              -0.00120166211615
                   +1 :               0.00014367957054
                3d
                   -2 :              -0.00010764235369
                   -1 :              -0.00003501358637
                   +0 :              -0.00015454081401
                   +1 :              -0.00001613873041
                   +2 :              -0.00030336952993
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00012521443371
                2s
                   +0 :               0.00104676306427
                3s
                   +0 :               0.00011234599757
                2p
                   -1 :               0.00381624497599
                   +0 :              -0.00035547756871
                   +1 :               0.00223031977761
                3p
                   -1 :              -0.00115437095865
                   +0 :               0.00036172984568
                   +1 :              -0.00118620253686
                3d
                   -2 :              -0.00008479247193
                   -1 :              -0.00001020439723
                   +0 :               0.00004954980494
                   +1 :               0.00004783248450
                   +2 :              -0.00013493551917
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001471743648
                2s
                   +0 :              -0.00074178064994
                3s
                   +0 :              -0.00003893555262
                2p
                   -1 :               0.00015308236069
                   +0 :              -0.00033729580007
                   +1 :               0.00126084519562
                3p
                   -1 :              -0.00008554361184
                   +0 :               0.00032627531035
                   +1 :              -0.00032483935785
                3d
                   -2 :               0.00002630765934
                   -1 :               0.00001632498103
                   +0 :              -0.00000541351814
                   +1 :              -0.00004871590159
                   +2 :              -0.00001659839444
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002314177470
                2s
                   +0 :              -0.00047145050865
                3s
                   +0 :               0.00002730063936
                2p
                   -1 :               0.00043525965898
                   +0 :               0.00005532980927
                   +1 :               0.00033284186366
                3p
                   -1 :              -0.00002338038578
                   +0 :              -0.00006405514044
                   +1 :              -0.00009374657094
                3d
                   -2 :              -0.00001845268097
                   -1 :               0.00001883081166
                   +0 :               0.00001472487215
                   +1 :               0.00000032268488
                   +2 :               0.00001685369665
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00006159114056
                2s
                   +0 :              -0.00075032245864
                3s
                   +0 :               0.00011513300882
                2p
                   -1 :              -0.00098906731698
                   +0 :               0.00007968720292
                   +1 :               0.00010332881995
                3p
                   -1 :               0.00028757205625
                   +0 :              -0.00003325243554
                   +1 :               0.00007093165894
                3d
                   -2 :               0.00003151054209
                   -1 :              -0.00000592529300
                   +0 :               0.00000081716090
                   +1 :              -0.00000716348384
                   +2 :               0.00000983269792
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003027359189
                2s
                   +0 :               0.00042473731258
                3s
                   +0 :              -0.00002662987195
                2p
                   -1 :              -0.00032953585299
                   +0 :               0.00004144499067
                   +1 :               0.00010395842415
                3p
                   -1 :               0.00000558531063
                   +0 :              -0.00002627789275
                   +1 :               0.00006304216319
                3d
                   -2 :              -0.00002186640046
                   -1 :               0.00000348273449
                   +0 :              -0.00001659168872
                   +1 :               0.00000912097463
                   +2 :              -0.00000137334059
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00009062623456
                2s
                   +0 :               0.00088879090572
                3s
                   +0 :              -0.00021661800038
                2p
                   -1 :               0.00075736523699
                   +0 :               0.00016225982084
                   +1 :               0.00034643595349
                3p
                   -1 :              -0.00020982232533
                   +0 :              -0.00016556548772
                   +1 :              -0.00005878399051
                3d
                   -2 :               0.00002329285444
                   -1 :              -0.00001098585674
                   +0 :              -0.00001339717163
                   +1 :               0.00001108841309
                   +2 :              -0.00000046997037
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00012854800008
                2s
                   +0 :               0.00140819177590
                3s
                   +0 :              -0.00023338148276
                2p
                   -1 :               0.00003845103860
                   +0 :              -0.00014755585698
                   +1 :               0.00131776055386
                3p
                   -1 :               0.00000868921076
                   +0 :               0.00015241101990
                   +1 :              -0.00018784768470
                3d
                   -2 :               0.00001703492224
                   -1 :              -0.00002408318218
                   +0 :              -0.00003381278626
                   +1 :               0.00000767787386
                   +2 :               0.00005878485969
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001369683217
                2s
                   +0 :              -0.00012359104579
                3s
                   +0 :               0.00001396745122
                2p
                   -1 :               0.00000832906607
                   +0 :              -0.00000552387074
                   +1 :               0.00006610756066
                3p
                   -1 :               0.00002146220828
                   +0 :               0.00000755649888
                   +1 :               0.00001352872341
                3d
                   -2 :               0.00000250150791
                   -1 :               0.00000023611925
                   +0 :              -0.00000171813962
                   +1 :              -0.00000271567732
                   +2 :               0.00000134714223
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000978161737
                2s
                   +0 :              -0.00014087212076
                3s
                   +0 :               0.00001875593908
                2p
                   -1 :              -0.00012058455122
                   +0 :               0.00003068659491
                   +1 :               0.00012820505946
                3p
                   -1 :               0.00003002465291
                   +0 :              -0.00001936081584
                   +1 :              -0.00002429346477
                3d
                   -2 :              -0.00000247841308
                   -1 :               0.00000157699296
                   +0 :               0.00000137130890
                   +1 :               0.00000414544551
                   +2 :               0.00000364088822
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000486826431
                2s
                   +0 :              -0.00003810526837
                3s
                   +0 :               0.00001822395332
                2p
                   -1 :               0.00006355366689
                   +0 :               0.00000841860880
                   +1 :              -0.00002758177587
                3p
                   -1 :              -0.00004547277069
                   +0 :              -0.00001003420349
                   +1 :              -0.00000958723674
                3d
                   -2 :               0.00000384874908
                   -1 :               0.00000156097301
                   +0 :              -0.00000056080604
                   +1 :              -0.00000124231740
                   +2 :              -0.00000272369873
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000685068157
                2s
                   +0 :              -0.00003656251565
                3s
                   +0 :               0.00001440854819
                2p
                   -1 :              -0.00005520905151
                   +0 :              -0.00004139324856
                   +1 :              -0.00007450724705
                3p
                   -1 :               0.00004544547180
                   +0 :               0.00003500264678
                   +1 :               0.00002860871999
                3d
                   -2 :              -0.00000063028969
                   -1 :               0.00000287261041
                   +0 :               0.00000311690732
                   +1 :               0.00000231412492
                   +2 :               0.00000187494069
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001854440646
                2s
                   +0 :               0.00020801821029
                3s
                   +0 :              -0.00004257503149
                2p
                   -1 :              -0.00007130264634
                   +0 :               0.00001619573893
                   +1 :               0.00013065271047
                3p
                   -1 :              -0.00000643219064
                   +0 :              -0.00001461734680
                   +1 :              -0.00001667318170
                3d
                   -2 :              -0.00000084077992
                   -1 :              -0.00000530203078
                   +0 :               0.00000036787983
                   +1 :               0.00000046611055
                   +2 :              -0.00000186011898
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000857801994
                2s
                   +0 :               0.00010226196456
                3s
                   +0 :              -0.00000638119009
                2p
                   -1 :               0.00007072471318
                   +0 :               0.00002343190907
                   +1 :               0.00009777623295
                3p
                   -1 :              -0.00002982536104
                   +0 :              -0.00001298590615
                   +1 :              -0.00000623666195
                3d
                   -2 :              -0.00000178696534
                   -1 :              -0.00000038661224
                   +0 :              -0.00000079446828
                   +1 :              -0.00000061498243
                   +2 :               0.00000271241278
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 27)  npairs=  12
              1 vec=     2.383582      4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00161499333052
                2s
                   +0 :               0.05482651843324
                3s
                   +0 :              -0.00409020122345
                2p
                   -1 :               0.04174052607803
                   +0 :              -0.00364117145528
                   +1 :               0.00811220958841
                3p
                   -1 :              -0.00753746495608
                   +0 :               0.00200945010693
                   +1 :              -0.00166692674957
                3d
                   -2 :               0.00127536362685
                   -1 :               0.00036745042453
                   +0 :              -0.00054681405993
                   +1 :              -0.00050053239809
                   +2 :              -0.00124510815051
              2 vec=    -5.396580     -0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00075098365551
                2s
                   +0 :              -0.04733020188585
                3s
                   +0 :              -0.00273525503706
                2p
                   -1 :               0.00294615528502
                   +0 :               0.00364999383036
                   +1 :               0.03403407360283
                3p
                   -1 :               0.00332268425076
                   +0 :              -0.00445810331989
                   +1 :               0.00657031958776
                3d
                   -2 :              -0.00039025533850
                   -1 :              -0.00005159895386
                   +0 :               0.00191539522225
                   +1 :               0.00100109531852
                   +2 :              -0.00348727986042
              3 vec=     2.383582     -4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00210623215035
                2s
                   +0 :               0.02794991213231
                3s
                   +0 :              -0.00544679170839
                2p
                   -1 :              -0.01774230881898
                   +0 :              -0.00038594328662
                   +1 :               0.00271701999685
                3p
                   -1 :               0.00321789902787
                   +0 :               0.00021180934795
                   +1 :               0.00069054449633
                3d
                   -2 :              -0.00044895349412
                   -1 :               0.00005203993972
                   +0 :              -0.00040754781925
                   +1 :              -0.00041997491550
                   +2 :              -0.00070685363375
              4 vec=    -5.396580      8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00068955890138
                2s
                   +0 :              -0.00559784002366
                3s
                   +0 :               0.00146208507911
                2p
                   -1 :              -0.00575677236120
                   +0 :               0.00000842670553
                   +1 :               0.00062711941394
                3p
                   -1 :               0.00132608288853
                   +0 :              -0.00012601389890
                   +1 :               0.00111009538963
                3d
                   -2 :               0.00033989195019
                   -1 :              -0.00007999890201
                   +0 :               0.00038462095986
                   +1 :               0.00012423566959
                   +2 :               0.00006070831601
              5 vec=    10.163745     -0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00051906178095
                2s
                   +0 :               0.00606246314464
                3s
                   +0 :              -0.00040552570889
                2p
                   -1 :              -0.00140301865077
                   +0 :              -0.00035537712803
                   +1 :               0.00839915419206
                3p
                   -1 :               0.00005333677404
                   +0 :               0.00001449732143
                   +1 :              -0.00075422889478
                3d
                   -2 :              -0.00002007823269
                   -1 :               0.00001743142797
                   +0 :              -0.00019288263195
                   +1 :              -0.00010463381499
                   +2 :               0.00043327507038
              6 vec=    -5.396580     -9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00030687901052
                2s
                   +0 :              -0.00313955651030
                3s
                   +0 :               0.00059370437212
                2p
                   -1 :               0.00337418384828
                   +0 :               0.00030458544713
                   +1 :               0.00072855888511
                3p
                   -1 :              -0.00083950584407
                   +0 :              -0.00032968283985
                   +1 :              -0.00001498356574
                3d
                   -2 :              -0.00007040716022
                   -1 :              -0.00002498744087
                   +0 :               0.00006709476140
                   +1 :               0.00008154381414
                   +2 :               0.00009806300555
              7 vec=     2.383582     13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00009211550506
                2s
                   +0 :               0.00071564017105
                3s
                   +0 :              -0.00017439118571
                2p
                   -1 :              -0.00010589080498
                   +0 :              -0.00019033490792
                   +1 :              -0.00037615672867
                3p
                   -1 :               0.00016910026657
                   +0 :               0.00018266366404
                   +1 :               0.00010327108754
                3d
                   -2 :              -0.00001597252840
                   -1 :               0.00001638709177
                   +0 :              -0.00003161135092
                   +1 :              -0.00000969973950
                   +2 :               0.00000747534841
              8 vec=    10.163745      8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00004161829683
                2s
                   +0 :               0.00091121134507
                3s
                   +0 :              -0.00000065279474
                2p
                   -1 :              -0.00010255375609
                   +0 :               0.00001336419123
                   +1 :               0.00033228528086
                3p
                   -1 :               0.00044477452120
                   +0 :              -0.00003991297908
                   +1 :               0.00001311248706
                3d
                   -2 :               0.00003887659400
                   -1 :               0.00000791133974
                   +0 :              -0.00002494539693
                   +1 :              -0.00000784397445
                   +2 :              -0.00003451742755
              9 vec=   -13.176743      4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00005715479825
                2s
                   +0 :              -0.00085883024827
                3s
                   +0 :               0.00014865542850
                2p
                   -1 :              -0.00068861851285
                   +0 :               0.00003891274089
                   +1 :               0.00023657282472
                3p
                   -1 :               0.00019437142923
                   +0 :              -0.00000932742352
                   +1 :              -0.00001547067035
                3d
                   -2 :               0.00000134134743
                   -1 :              -0.00001960449041
                   +0 :               0.00000806295267
                   +1 :               0.00000243108451
                   +2 :               0.00001059018585
             10 vec=    10.163745     -9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00005440051838
                2s
                   +0 :               0.00073360118096
                3s
                   +0 :              -0.00006863682081
                2p
                   -1 :              -0.00078052716732
                   +0 :              -0.00002590656989
                   +1 :               0.00021744995190
                3p
                   -1 :               0.00029025942354
                   +0 :               0.00001869342657
                   +1 :               0.00008669268546
                3d
                   -2 :              -0.00000123746586
                   -1 :              -0.00000412403913
                   +0 :              -0.00000767285214
                   +1 :              -0.00001159140343
                   +2 :               0.00002194909999
             11 vec=   -13.176743     -4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00000183308717
                2s
                   +0 :              -0.00031706153460
                3s
                   +0 :               0.00000314658772
                2p
                   -1 :              -0.00003120207746
                   +0 :              -0.00018481516227
                   +1 :               0.00010341886857
                3p
                   -1 :               0.00011645133748
                   +0 :               0.00016736885372
                   +1 :              -0.00000616023483
                3d
                   -2 :               0.00001105878576
                   -1 :              -0.00000748229655
                   +0 :               0.00000204961771
                   +1 :              -0.00000395445086
                   +2 :               0.00001601176596
             12 vec=     2.383582    -13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00000781514818
                2s
                   +0 :               0.00002950073424
                3s
                   +0 :               0.00004657056581
                2p
                   -1 :              -0.00005328994373
                   +0 :               0.00012810749149
                   +1 :              -0.00013699727941
                3p
                   -1 :               0.00002173734126
                   +0 :              -0.00011641187376
                   +1 :              -0.00002600739423
                3d
                   -2 :               0.00000658196182
                   -1 :               0.00000226906322
                   +0 :              -0.00000893492615
                   +1 :              -0.00001276961267
                   +2 :               0.00000615314304
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 28)  npairs=  14
              1 vec=    -0.000519      2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006782015789
                2s
                   +0 :               0.00044805168666
                3s
                   +0 :              -0.00031658453577
                2p
                   -1 :               0.00011769227520
                   +0 :              -0.00041661842546
                   +1 :               0.00003025345267
                3p
                   -1 :              -0.00008888374475
                   +0 :               0.00046573141095
                   +1 :               0.00004314242466
                3d
                   -2 :              -0.00000927077272
                   -1 :               0.00001160549858
                   +0 :              -0.00005093888879
                   +1 :               0.00000465645458
                   +2 :               0.00000887041240
              2 vec=    -0.000519      2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00007071842545
                2s
                   +0 :              -0.00056204777963
                3s
                   +0 :               0.00023630670791
                2p
                   -1 :               0.00018642534437
                   +0 :              -0.00055430902569
                   +1 :               0.00032025355547
                3p
                   -1 :              -0.00020144903859
                   +0 :               0.00042017759092
                   +1 :              -0.00027106806780
                3d
                   -2 :               0.00002398664136
                   -1 :              -0.00001561321799
                   +0 :               0.00002900448531
                   +1 :              -0.00001939098966
                   +2 :               0.00000627934837
              3 vec=    -0.000519     -6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000515601855
                2s
                   +0 :               0.00002702179703
                3s
                   +0 :              -0.00000343316654
                2p
                   -1 :              -0.00026883093268
                   +0 :              -0.00018715295119
                   +1 :              -0.00078466088040
                3p
                   -1 :               0.00016669764680
                   +0 :               0.00004417655305
                   +1 :               0.00022317806968
                3d
                   -2 :               0.00001257032290
                   -1 :               0.00000886350240
                   +0 :              -0.00001147165996
                   +1 :               0.00002387751797
                   +2 :              -0.00000324199061
              4 vec=    -0.000519     -6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00001944859562
                2s
                   +0 :               0.00013317690930
                3s
                   +0 :               0.00005125388020
                2p
                   -1 :               0.00026177235636
                   +0 :               0.00036657339240
                   +1 :              -0.00058283519462
                3p
                   -1 :              -0.00027420379920
                   +0 :              -0.00008265133832
                   +1 :               0.00011480325301
                3d
                   -2 :               0.00000544062982
                   -1 :              -0.00002322857825
                   +0 :              -0.00001233670727
                   +1 :              -0.00001827462927
                   +2 :               0.00000001653809
              5 vec=     7.779644     -1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00003757427737
                2s
                   +0 :               0.00034367963102
                3s
                   +0 :              -0.00004250328338
                2p
                   -1 :               0.00001807368429
                   +0 :              -0.00016771474380
                   +1 :               0.00006512143340
                3p
                   -1 :              -0.00006235267241
                   +0 :              -0.00000640829038
                   +1 :               0.00000911978883
                3d
                   -2 :              -0.00000592749231
                   -1 :               0.00000894908324
                   +0 :               0.00001118727574
                   +1 :              -0.00001702175799
                   +2 :              -0.00000507733090
              6 vec=     7.779644     -1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000670945652
                2s
                   +0 :               0.00018148430125
                3s
                   +0 :              -0.00001408753615
                2p
                   -1 :               0.00002976072807
                   +0 :              -0.00000881620937
                   +1 :              -0.00001929719968
                3p
                   -1 :              -0.00014861128026
                   +0 :               0.00011198790599
                   +1 :               0.00002718927271
                3d
                   -2 :              -0.00001449835218
                   -1 :              -0.00001574423810
                   +0 :               0.00000453530644
                   +1 :              -0.00000208440701
                   +2 :              -0.00000402463022
              7 vec=    -7.780681     -1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00002283139588
                2s
                   +0 :              -0.00020048512636
                3s
                   +0 :               0.00002979349018
                2p
                   -1 :              -0.00010870003754
                   +0 :               0.00011613191981
                   +1 :               0.00003240106183
                3p
                   -1 :               0.00015658437211
                   +0 :              -0.00000655401219
                   +1 :              -0.00000649597054
                3d
                   -2 :              -0.00000902132129
                   -1 :              -0.00002130228882
                   +0 :               0.00002235460361
                   +1 :              -0.00000163305456
                   +2 :               0.00000300197160
              8 vec=    -7.780681     -1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00003055223131
                2s
                   +0 :              -0.00045465812838
                3s
                   +0 :               0.00003716467968
                2p
                   -1 :               0.00028983679700
                   +0 :              -0.00023242016555
                   +1 :               0.00016061557038
                3p
                   -1 :              -0.00009618260793
                   +0 :               0.00001867301655
                   +1 :              -0.00006089231344
                3d
                   -2 :               0.00000277222941
                   -1 :               0.00000834384867
                   +0 :               0.00000350654813
                   +1 :               0.00000661545459
                   +2 :               0.00000416394530
              9 vec=     7.779644      7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002088000414
                2s
                   +0 :              -0.00013689084962
                3s
                   +0 :               0.00009039108199
                2p
                   -1 :               0.00002918835684
                   +0 :               0.00014984215267
                   +1 :              -0.00002409464351
                3p
                   -1 :              -0.00004335815197
                   +0 :              -0.00015843187033
                   +1 :               0.00005047358030
                3d
                   -2 :              -0.00000349319181
                   -1 :              -0.00000213744705
                   +0 :               0.00001873706877
                   +1 :              -0.00000033166381
                   +2 :               0.00001386309464
             10 vec=     7.779644      7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001441223613
                2s
                   +0 :              -0.00006789357159
                3s
                   +0 :               0.00006678023317
                2p
                   -1 :              -0.00004951194824
                   +0 :              -0.00012268660025
                   +1 :              -0.00003725243864
                3p
                   -1 :               0.00003964445535
                   +0 :               0.00012770208846
                   +1 :               0.00005670656576
                3d
                   -2 :              -0.00000115985341
                   -1 :               0.00000907217858
                   +0 :               0.00000595994450
                   +1 :              -0.00000279901457
                   +2 :              -0.00001368444528
             11 vec=    -7.780681      7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000847326358
                2s
                   +0 :               0.00003238161354
                3s
                   +0 :              -0.00003190269674
                2p
                   -1 :               0.00013747688375
                   +0 :              -0.00016407456265
                   +1 :               0.00018430872110
                3p
                   -1 :              -0.00014904626628
                   +0 :               0.00016035799176
                   +1 :              -0.00015693416036
                3d
                   -2 :               0.00000854314730
                   -1 :               0.00001887544251
                   +0 :              -0.00001253532049
                   +1 :               0.00001583490160
                   +2 :               0.00001431959399
             12 vec=    -7.780681      7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000895663284
                2s
                   +0 :              -0.00010761106957
                3s
                   +0 :              -0.00000113252639
                2p
                   -1 :              -0.00000247177486
                   +0 :              -0.00008855237553
                   +1 :               0.00012382009344
                3p
                   -1 :              -0.00002806796854
                   +0 :               0.00000248908616
                   +1 :              -0.00007805577097
                3d
                   -2 :               0.00000031079234
                   -1 :              -0.00000495288734
                   +0 :              -0.00000707895138
                   +1 :              -0.00000015097577
                   +2 :               0.00000226514072
             13 vec=    -0.000519     11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002330718171
                2s
                   +0 :              -0.00015727013140
                3s
                   +0 :               0.00008431184291
                2p
                   -1 :              -0.00006142533557
                   +0 :               0.00014546346050
                   +1 :               0.00001770748688
                3p
                   -1 :               0.00004590258918
                   +0 :              -0.00010557335587
                   +1 :               0.00000018315974
                3d
                   -2 :               0.00000295733389
                   -1 :              -0.00000075651720
                   +0 :               0.00000777394390
                   +1 :               0.00000622051012
                   +2 :               0.00000493480521
             14 vec=    -0.000519     11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000825494879
                2s
                   +0 :               0.00007900839167
                3s
                   +0 :              -0.00001416012109
                2p
                   -1 :               0.00002384134917
                   +0 :               0.00004434704622
                   +1 :               0.00001387190357
                3p
                   -1 :              -0.00000183102980
                   +0 :              -0.00000009545211
                   +1 :              -0.00003534605486
                3d
                   -2 :              -0.00000051234237
                   -1 :               0.00000428308497
                   +0 :               0.00000270251011
                   +1 :              -0.00000227386521
                   +2 :              -0.00000300080286
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 29)  npairs=  18
              1 vec=    -3.012479     -1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00005475733421
                2s
                   +0 :               0.00032784124311
                3s
                   +0 :              -0.00024956545994
                2p
                   -1 :              -0.00009307751261
                   +0 :              -0.00045953378131
                   +1 :              -0.00015509909120
                3p
                   -1 :               0.00001499485058
                   +0 :               0.00043181228527
                   +1 :               0.00009591099561
                3d
                   -2 :              -0.00000148833615
                   -1 :              -0.00001269071841
                   +0 :              -0.00000760639764
                   +1 :               0.00000146374842
                   +2 :               0.00000217652296
              2 vec=    -3.012479     -1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00000663741901
                2s
                   +0 :              -0.00019940274183
                3s
                   +0 :              -0.00001227108402
                2p
                   -1 :              -0.00028662600509
                   +0 :              -0.00013359727975
                   +1 :              -0.00004828464751
                3p
                   -1 :               0.00022906690123
                   +0 :               0.00003506220711
                   +1 :               0.00004377807885
                3d
                   -2 :              -0.00001057835785
                   -1 :              -0.00000274271776
                   +0 :               0.00002087399026
                   +1 :               0.00000532990262
                   +2 :              -0.00002171112905
              3 vec=     4.767684      2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00009062638130
                2s
                   +0 :               0.00058284988468
                3s
                   +0 :              -0.00022624630407
                2p
                   -1 :              -0.00007517021904
                   +0 :              -0.00047675629036
                   +1 :               0.00006492981502
                3p
                   -1 :               0.00027274225685
                   +0 :               0.00026158650746
                   +1 :              -0.00009359023138
                3d
                   -2 :              -0.00001592100813
                   -1 :              -0.00005337713603
                   +0 :              -0.00001783213562
                   +1 :               0.00002065620494
                   +2 :              -0.00001707115167
              4 vec=     4.767684      2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00000695534696
                2s
                   +0 :               0.00025725772527
                3s
                   +0 :               0.00006209283461
                2p
                   -1 :               0.00024332643899
                   +0 :               0.00030660847473
                   +1 :              -0.00048970994472
                3p
                   -1 :              -0.00000042120665
                   +0 :              -0.00003572913399
                   +1 :               0.00031493275587
                3d
                   -2 :              -0.00001017926963
                   -1 :               0.00000876331340
                   +0 :               0.00001434036385
                   +1 :               0.00002209527243
                   +2 :              -0.00000903666301
              5 vec=    -3.012479      7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00000777974400
                2s
                   +0 :               0.00000156903547
                3s
                   +0 :               0.00004728045794
                2p
                   -1 :              -0.00011695833870
                   +0 :              -0.00004304703618
                   +1 :              -0.00038049723886
                3p
                   -1 :               0.00009514141757
                   +0 :              -0.00006610933568
                   +1 :               0.00028062645910
                3d
                   -2 :               0.00000767356062
                   -1 :              -0.00000695689411
                   +0 :               0.00002382425487
                   +1 :              -0.00001394162912
                   +2 :               0.00000147352892
              6 vec=    -3.012479      7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000157215579
                2s
                   +0 :              -0.00007612530820
                3s
                   +0 :              -0.00001730364895
                2p
                   -1 :               0.00000239281476
                   +0 :               0.00016990117240
                   +1 :              -0.00028112082100
                3p
                   -1 :              -0.00006610618637
                   +0 :              -0.00014771105655
                   +1 :               0.00018151428591
                3d
                   -2 :               0.00000508533165
                   -1 :              -0.00000625438070
                   +0 :              -0.00000524184771
                   +1 :               0.00000000251109
                   +2 :               0.00001285406578
              7 vec=     4.767684     -6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005671170735
                2s
                   +0 :               0.00079243881738
                3s
                   +0 :              -0.00008305549410
                2p
                   -1 :              -0.00014710258072
                   +0 :              -0.00066243966914
                   +1 :               0.00019846312183
                3p
                   -1 :               0.00000522459488
                   +0 :               0.00008133191647
                   +1 :              -0.00002340965618
                3d
                   -2 :              -0.00001763729163
                   -1 :               0.00001146034839
                   +0 :               0.00001854309410
                   +1 :              -0.00001098773759
                   +2 :               0.00000301777495
              8 vec=     4.767684     -6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001318143095
                2s
                   +0 :               0.00020066453872
                3s
                   +0 :              -0.00005370131904
                2p
                   -1 :              -0.00020644805549
                   +0 :               0.00022151254734
                   +1 :              -0.00001375959254
                3p
                   -1 :               0.00016522008666
                   +0 :              -0.00004339708658
                   +1 :               0.00007518338074
                3d
                   -2 :               0.00000698338350
                   -1 :               0.00001552013727
                   +0 :              -0.00000615964001
                   +1 :               0.00000251252519
                   +2 :               0.00000887552149
              9 vec=   -10.792642      2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000501768598
                2s
                   +0 :               0.00000351933676
                3s
                   +0 :              -0.00002283329673
                2p
                   -1 :              -0.00010297271726
                   +0 :               0.00002163773273
                   +1 :              -0.00006928813697
                3p
                   -1 :               0.00006210843420
                   +0 :               0.00003659069837
                   +1 :               0.00007102231402
                3d
                   -2 :              -0.00000608436292
                   -1 :              -0.00000659366761
                   +0 :               0.00000050522244
                   +1 :              -0.00000392294633
                   +2 :              -0.00000566271120
             10 vec=   -10.792642      2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000333408394
                2s
                   +0 :              -0.00009929289837
                3s
                   +0 :               0.00001744001647
                2p
                   -1 :               0.00003395684039
                   +0 :               0.00002757622272
                   +1 :              -0.00013336545067
                3p
                   -1 :              -0.00003656798298
                   +0 :              -0.00010174432427
                   +1 :               0.00016116893857
                3d
                   -2 :              -0.00000554763345
                   -1 :               0.00000175112934
                   +0 :              -0.00000782978805
                   +1 :               0.00001502448471
                   +2 :               0.00000477145548
             11 vec=    -3.012479    -10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001448446428
                2s
                   +0 :              -0.00010624770998
                3s
                   +0 :               0.00004238677435
                2p
                   -1 :               0.00006845377918
                   +0 :              -0.00002420069238
                   +1 :               0.00010545507325
                3p
                   -1 :              -0.00004074284730
                   +0 :               0.00007094620934
                   +1 :              -0.00011128839553
                3d
                   -2 :               0.00001195015746
                   -1 :               0.00000190475450
                   +0 :              -0.00000495262000
                   +1 :               0.00000506650731
                   +2 :              -0.00000824003839
             12 vec=    -3.012479    -10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000104954431
                2s
                   +0 :              -0.00000237807714
                3s
                   +0 :               0.00000166575306
                2p
                   -1 :              -0.00002014854847
                   +0 :              -0.00009408219948
                   +1 :              -0.00001574220923
                3p
                   -1 :               0.00000333535921
                   +0 :               0.00004759983853
                   +1 :              -0.00001372305171
                3d
                   -2 :              -0.00000266146896
                   -1 :               0.00000456608142
                   +0 :               0.00000289363343
                   +1 :              -0.00000295470860
                   +2 :               0.00000033989925
             13 vec=   -10.792642     -6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001803575725
                2s
                   +0 :              -0.00017634267124
                3s
                   +0 :               0.00003427450037
                2p
                   -1 :               0.00012453060403
                   +0 :               0.00006305675793
                   +1 :               0.00004771169585
                3p
                   -1 :              -0.00006924904854
                   +0 :               0.00001598123229
                   +1 :               0.00002698901158
                3d
                   -2 :              -0.00000203962198
                   -1 :               0.00000018039698
                   +0 :              -0.00000366655140
                   +1 :              -0.00000170465880
                   +2 :              -0.00000595228331
             14 vec=   -10.792642     -6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001010178077
                2s
                   +0 :              -0.00011088148444
                3s
                   +0 :               0.00002116874350
                2p
                   -1 :               0.00000567309779
                   +0 :              -0.00005670021501
                   +1 :               0.00008059353008
                3p
                   -1 :               0.00004009959056
                   +0 :               0.00000542520156
                   +1 :              -0.00000556776468
                3d
                   -2 :              -0.00000564629543
                   -1 :              -0.00000040251545
                   +0 :              -0.00000373686689
                   +1 :               0.00000488645969
                   +2 :              -0.00000114820867
             15 vec=     4.767684     11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001393091945
                2s
                   +0 :               0.00010698323138
                3s
                   +0 :              -0.00005438841744
                2p
                   -1 :               0.00009978362837
                   +0 :              -0.00006759407563
                   +1 :              -0.00003203864184
                3p
                   -1 :              -0.00007996605363
                   +0 :               0.00003638923724
                   +1 :               0.00001755121671
                3d
                   -2 :              -0.00000367761946
                   -1 :               0.00001122253631
                   +0 :              -0.00000293550938
                   +1 :               0.00000095966638
                   +2 :               0.00001405832346
             16 vec=     4.767684     11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002654721761
                2s
                   +0 :               0.00019309339747
                3s
                   +0 :              -0.00007643345240
                2p
                   -1 :               0.00009096531091
                   +0 :               0.00011131941488
                   +1 :              -0.00000763003449
                3p
                   -1 :              -0.00003883283344
                   +0 :              -0.00004369152785
                   +1 :               0.00001211895348
                3d
                   -2 :              -0.00000275423771
                   -1 :              -0.00000012324692
                   +0 :              -0.00000051205213
                   +1 :              -0.00000277060198
                   +2 :              -0.00000293881681
             17 vec=    12.547846     -1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001738507143
                2s
                   +0 :               0.00014431837050
                3s
                   +0 :              -0.00004397556738
                2p
                   -1 :              -0.00004295459811
                   +0 :              -0.00007161820930
                   +1 :               0.00007921583495
                3p
                   -1 :               0.00001489937348
                   +0 :               0.00001784265384
                   +1 :              -0.00003946162830
                3d
                   -2 :              -0.00000435422610
                   -1 :               0.00000360036862
                   +0 :               0.00000010872250
                   +1 :               0.00000353946704
                   +2 :               0.00000128493432
             18 vec=    12.547846     -1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000875637412
                2s
                   +0 :               0.00007124760862
                3s
                   +0 :              -0.00002723145327
                2p
                   -1 :               0.00001858789224
                   +0 :              -0.00000632521438
                   +1 :               0.00006085275231
                3p
                   -1 :              -0.00000556080035
                   +0 :               0.00001311355495
                   +1 :              -0.00004928998557
                3d
                   -2 :               0.00000255251522
                   -1 :               0.00000008014016
                   +0 :               0.00000020610891
                   +1 :              -0.00000194095234
                   +2 :              -0.00000304525714
WF             site_B          number of pairs
WF( 47)=[O_14_2px]  to site O ( 30)  npairs=  14
              1 vec=     2.383582     -1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003035046406
                2s
                   +0 :              -0.00003189644334
                3s
                   +0 :               0.00011607971892
                2p
                   -1 :               0.00019708761702
                   +0 :               0.00022794887881
                   +1 :               0.00006535789497
                3p
                   -1 :              -0.00003434060526
                   +0 :              -0.00020023523475
                   +1 :              -0.00014299825610
                3d
                   -2 :              -0.00000394179723
                   -1 :              -0.00001037646785
                   +0 :               0.00002434656723
                   +1 :               0.00002517201805
                   +2 :               0.00000051215206
              2 vec=     2.383582     -1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005525262987
                2s
                   +0 :               0.00024521368150
                3s
                   +0 :              -0.00023529628261
                2p
                   -1 :               0.00006324129203
                   +0 :               0.00039300052936
                   +1 :               0.00012914867593
                3p
                   -1 :               0.00003526750908
                   +0 :              -0.00047783134827
                   +1 :              -0.00020384661651
                3d
                   -2 :               0.00002149546892
                   -1 :               0.00001775515289
                   +0 :              -0.00006226010469
                   +1 :              -0.00000938584520
                   +2 :              -0.00001706856920
              3 vec=    -5.396580      3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00003573088529
                2s
                   +0 :              -0.00032696133061
                3s
                   +0 :              -0.00001545689469
                2p
                   -1 :              -0.00015036903906
                   +0 :              -0.00010424593269
                   +1 :               0.00012727280583
                3p
                   -1 :              -0.00004451017212
                   +0 :               0.00028256019294
                   +1 :              -0.00016131999635
                3d
                   -2 :               0.00000162204874
                   -1 :               0.00001747935099
                   +0 :              -0.00004822890234
                   +1 :              -0.00000484143578
                   +2 :               0.00000646322678
              4 vec=    -5.396580      3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00004924405975
                2s
                   +0 :              -0.00056584321212
                3s
                   +0 :               0.00011482306134
                2p
                   -1 :              -0.00028843860203
                   +0 :              -0.00021117282099
                   +1 :              -0.00013411303369
                3p
                   -1 :               0.00009734227980
                   +0 :               0.00001469093380
                   +1 :               0.00004276172518
                3d
                   -2 :               0.00000291392545
                   -1 :              -0.00000151748155
                   +0 :              -0.00001054958130
                   +1 :              -0.00000505385885
                   +2 :              -0.00000976657579
              5 vec=     2.383582      7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000758795592
                2s
                   +0 :              -0.00007080996780
                3s
                   +0 :              -0.00001752505646
                2p
                   -1 :              -0.00011445270106
                   +0 :               0.00002269654649
                   +1 :               0.00017319787823
                3p
                   -1 :               0.00007140237772
                   +0 :               0.00003326631474
                   +1 :              -0.00015682374091
                3d
                   -2 :              -0.00000461895424
                   -1 :               0.00000096748936
                   +0 :              -0.00001061647641
                   +1 :              -0.00000695570766
                   +2 :               0.00000750359169
              6 vec=     2.383582      7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001744972320
                2s
                   +0 :              -0.00008397438692
                3s
                   +0 :               0.00004635947317
                2p
                   -1 :              -0.00032994463993
                   +0 :              -0.00007524127592
                   +1 :              -0.00007035275105
                3p
                   -1 :               0.00022816803328
                   +0 :               0.00004216105434
                   +1 :               0.00004341330131
                3d
                   -2 :              -0.00000476213663
                   -1 :               0.00000789123022
                   +0 :              -0.00000860589649
                   +1 :               0.00001107593779
                   +2 :              -0.00001574333615
              7 vec=    -5.396580     -5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000650733718
                2s
                   +0 :              -0.00030243953294
                3s
                   +0 :              -0.00002398131511
                2p
                   -1 :               0.00001380080142
                   +0 :               0.00010597074505
                   +1 :               0.00013303292806
                3p
                   -1 :              -0.00003111798377
                   +0 :               0.00014680726876
                   +1 :               0.00001697359263
                3d
                   -2 :              -0.00000646834499
                   -1 :               0.00000119850327
                   +0 :              -0.00001070714315
                   +1 :              -0.00002862100043
                   +2 :               0.00000229318553
              8 vec=    -5.396580     -5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001233245628
                2s
                   +0 :              -0.00013658552388
                3s
                   +0 :               0.00000613582851
                2p
                   -1 :               0.00005520582107
                   +0 :              -0.00003053906636
                   +1 :              -0.00000526003134
                3p
                   -1 :              -0.00002642218595
                   +0 :              -0.00012107320310
                   +1 :               0.00005012944081
                3d
                   -2 :              -0.00000558601644
                   -1 :              -0.00000260315869
                   +0 :               0.00000388629105
                   +1 :               0.00001210106771
                   +2 :              -0.00001060258510
              9 vec=    10.163745      3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000671631635
                2s
                   +0 :               0.00004772899440
                3s
                   +0 :               0.00000429187146
                2p
                   -1 :              -0.00004886018322
                   +0 :               0.00000838606424
                   +1 :              -0.00005113688800
                3p
                   -1 :               0.00008539240458
                   +0 :              -0.00005742314765
                   +1 :               0.00004898893134
                3d
                   -2 :              -0.00001033294100
                   -1 :              -0.00000451107534
                   +0 :               0.00000911022579
                   +1 :              -0.00000571611886
                   +2 :               0.00000664018036
             10 vec=    10.163745      3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001065821011
                2s
                   +0 :               0.00007508530084
                3s
                   +0 :              -0.00000903941032
                2p
                   -1 :               0.00013540581693
                   +0 :              -0.00006494632785
                   +1 :               0.00009655702340
                3p
                   -1 :              -0.00008489657757
                   +0 :               0.00010139326633
                   +1 :              -0.00005303750487
                3d
                   -2 :               0.00000052120679
                   -1 :              -0.00001083394496
                   +0 :               0.00001043375576
                   +1 :               0.00000010288873
                   +2 :              -0.00000745659314
             11 vec=     2.383582    -10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000877988064
                2s
                   +0 :               0.00006766555754
                3s
                   +0 :              -0.00004365965159
                2p
                   -1 :               0.00011377899052
                   +0 :              -0.00011533454532
                   +1 :              -0.00001929913871
                3p
                   -1 :              -0.00009405152005
                   +0 :               0.00008321403216
                   +1 :              -0.00000014348276
                3d
                   -2 :               0.00000587699198
                   -1 :               0.00000151371802
                   +0 :              -0.00000164701135
                   +1 :               0.00000377982678
                   +2 :              -0.00000256866652
             12 vec=     2.383582    -10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000432687264
                2s
                   +0 :               0.00002511249829
                3s
                   +0 :              -0.00001484049561
                2p
                   -1 :               0.00010003591676
                   +0 :               0.00000662804230
                   +1 :               0.00000391222775
                3p
                   -1 :              -0.00006914490710
                   +0 :               0.00002353391182
                   +1 :              -0.00002037578829
                3d
                   -2 :               0.00000480878531
                   -1 :              -0.00000002645585
                   +0 :              -0.00000242704737
                   +1 :              -0.00000662907592
                   +2 :               0.00000371709581
             13 vec=    10.163745     -5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001798418461
                2s
                   +0 :               0.00015598694471
                3s
                   +0 :              -0.00002032581271
                2p
                   -1 :              -0.00004876857321
                   +0 :              -0.00005836397124
                   +1 :               0.00003820055933
                3p
                   -1 :               0.00002239528833
                   +0 :              -0.00002342090198
                   +1 :               0.00004788028083
                3d
                   -2 :              -0.00000216512376
                   -1 :              -0.00000313485508
                   +0 :               0.00000148563638
                   +1 :              -0.00000742480514
                   +2 :               0.00000858658806
             14 vec=    10.163745     -5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000456048795
                2s
                   +0 :               0.00010106026728
                3s
                   +0 :               0.00001668645222
                2p
                   -1 :              -0.00008502128858
                   +0 :               0.00001673885075
                   +1 :               0.00006520140441
                3p
                   -1 :               0.00003278324790
                   +0 :               0.00008220495088
                   +1 :               0.00003350417915
                3d
                   -2 :              -0.00000311102642
                   -1 :              -0.00000360111264
                   +0 :               0.00000611132084
                   +1 :               0.00000580973734
                   +2 :               0.00000437822873
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al(  1)  npairs=  15
              1 vec=    -2.593388      1.739555     10.693237   |vec|=   11.139884
                2s
                   +0 :               0.00014496349531
                2p
                   -1 :               0.00012767945298
                   +0 :               0.00011366676637
                   +1 :              -0.00025119078522
                3s
                   +0 :              -0.00049747383023
                4s
                   +0 :               0.00033682129614
                3p
                   -1 :              -0.00112774973757
                   +0 :              -0.00111180894971
                   +1 :               0.00111066088049
                4p
                   -1 :               0.00020060422584
                   +0 :               0.00053592609689
                   +1 :              -0.00026513600362
                3d
                   -2 :              -0.00012647792795
                   -1 :              -0.00016637380691
                   +0 :              -0.00032398105372
                   +1 :               0.00023846732104
                   +2 :              -0.00005756672988
              2 vec=     5.186775     -2.752324     10.693237   |vec|=   12.199313
                2s
                   +0 :              -0.00035464701095
                2p
                   -1 :              -0.00002418197804
                   +0 :              -0.00015339382047
                   +1 :              -0.00020071287376
                3s
                   +0 :               0.00095196176046
                4s
                   +0 :              -0.00025974751841
                3p
                   -1 :               0.00024518435205
                   +0 :               0.00056679144430
                   +1 :               0.00078797213488
                4p
                   -1 :              -0.00002080174404
                   +0 :              -0.00012540794245
                   +1 :              -0.00008024106465
                3d
                   -2 :              -0.00000086631362
                   -1 :               0.00007785944321
                   +0 :               0.00006366495152
                   +1 :               0.00023696025825
                   +2 :               0.00019965184566
              3 vec=    -2.593388     -7.244203     10.693237   |vec|=   13.173817
                2s
                   +0 :               0.00025248766296
                2p
                   -1 :              -0.00002621069398
                   +0 :               0.00010772005050
                   +1 :              -0.00018980476905
                3s
                   +0 :              -0.00111742541728
                4s
                   +0 :               0.00020137719375
                3p
                   -1 :               0.00025948015794
                   +0 :              -0.00062208007621
                   +1 :               0.00100916723267
                4p
                   -1 :               0.00005857470152
                   +0 :               0.00006411944027
                   +1 :              -0.00026170227967
                3d
                   -2 :              -0.00018747176780
                   -1 :               0.00005758504762
                   +0 :              -0.00007662395164
                   +1 :               0.00023405625489
                   +2 :               0.00005496598449
              4 vec=     5.186775      6.231434     10.693237   |vec|=   13.419341
                2s
                   +0 :               0.00011529435533
                2p
                   -1 :              -0.00000692413728
                   +0 :               0.00015293587139
                   +1 :               0.00003663684234
                3s
                   +0 :               0.00096376361072
                4s
                   +0 :               0.00004184486534
                3p
                   -1 :               0.00075534999182
                   +0 :               0.00018902550369
                   +1 :               0.00075837001986
                4p
                   -1 :              -0.00016445259856
                   +0 :               0.00013902918660
                   +1 :              -0.00002562721465
                3d
                   -2 :               0.00027593624420
                   -1 :               0.00017399688236
                   +0 :              -0.00004622478213
                   +1 :               0.00028416726336
                   +2 :              -0.00000976271887
              5 vec=    -2.593388      1.739555    -13.854306   |vec|=   14.201883
                2s
                   +0 :               0.00011112769944
                2p
                   -1 :               0.00004352507552
                   +0 :              -0.00004612866637
                   +1 :              -0.00000017890065
                3s
                   +0 :              -0.00026813703940
                4s
                   +0 :               0.00005550662903
                3p
                   -1 :              -0.00014935842575
                   +0 :               0.00020958431206
                   +1 :              -0.00003669514251
                4p
                   -1 :               0.00001062553085
                   +0 :              -0.00004089245012
                   +1 :               0.00003907999668
                3d
                   -2 :               0.00001225655957
                   -1 :              -0.00001709122223
                   +0 :              -0.00000395323879
                   +1 :               0.00000430987863
                   +2 :              -0.00000409563555
              6 vec=     5.186775     -2.752324    -13.854306   |vec|=   15.047249
                2s
                   +0 :              -0.00001345941315
                2p
                   -1 :               0.00001324416292
                   +0 :              -0.00004186550149
                   +1 :              -0.00007064826026
                3s
                   +0 :               0.00003359283930
                4s
                   +0 :               0.00003043751596
                3p
                   -1 :              -0.00008699023170
                   +0 :               0.00022705818735
                   +1 :               0.00041690160827
                4p
                   -1 :              -0.00000040475071
                   +0 :              -0.00007564840570
                   +1 :              -0.00006656514960
                3d
                   -2 :              -0.00004693044411
                   -1 :              -0.00000399403845
                   +0 :              -0.00004303468952
                   +1 :               0.00002740450409
                   +2 :               0.00001682532708
              7 vec=   -10.373550     -2.752324     10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00000703637065
                2p
                   -1 :              -0.00006994762470
                   +0 :              -0.00000140480850
                   +1 :              -0.00001366984911
                3s
                   +0 :              -0.00028130605314
                4s
                   +0 :               0.00004541541601
                3p
                   -1 :               0.00023093307817
                   +0 :              -0.00015074046406
                   +1 :               0.00019622473978
                4p
                   -1 :              -0.00006893251084
                   +0 :               0.00002244448644
                   +1 :              -0.00001609805994
                3d
                   -2 :              -0.00003601430397
                   -1 :               0.00002188915729
                   +0 :              -0.00002021740462
                   +1 :               0.00006098156975
                   +2 :              -0.00007168879080
              8 vec=    -2.593388     10.723313     10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00004151085548
                2p
                   -1 :               0.00002377553621
                   +0 :               0.00004935968036
                   +1 :               0.00000502583736
                3s
                   +0 :               0.00001111500395
                4s
                   +0 :               0.00006736627087
                3p
                   -1 :              -0.00001195194916
                   +0 :              -0.00018749839932
                   +1 :              -0.00019439996679
                4p
                   -1 :               0.00001204033697
                   +0 :               0.00008902368623
                   +1 :               0.00003170606134
                3d
                   -2 :              -0.00004017096457
                   -1 :              -0.00001995660220
                   +0 :               0.00000843010879
                   +1 :              -0.00002850297616
                   +2 :               0.00006360028854
              9 vec=    -2.593388     -7.244203    -13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00007348451810
                2p
                   -1 :               0.00001379296880
                   +0 :               0.00002905352361
                   +1 :               0.00001720016877
                3s
                   +0 :               0.00013752888823
                4s
                   +0 :              -0.00003559069983
                3p
                   -1 :               0.00000283639166
                   +0 :              -0.00009888807453
                   +1 :              -0.00003375568027
                4p
                   -1 :              -0.00002146422794
                   +0 :               0.00000614027916
                   +1 :               0.00003030107774
                3d
                   -2 :              -0.00001523486566
                   -1 :              -0.00001939295138
                   +0 :               0.00000347443505
                   +1 :              -0.00001959647512
                   +2 :              -0.00005366381530
             10 vec=     5.186775      6.231434    -13.854306   |vec|=   16.052264
                2s
                   +0 :              -0.00002505562986
                2p
                   -1 :              -0.00001019307553
                   +0 :              -0.00000342811003
                   +1 :              -0.00001339276166
                3s
                   +0 :              -0.00001440597164
                4s
                   +0 :              -0.00004747428945
                3p
                   -1 :              -0.00011867584382
                   +0 :               0.00001374315145
                   +1 :               0.00007263479363
                4p
                   -1 :               0.00001859805899
                   +0 :               0.00001134827292
                   +1 :              -0.00000570321172
                3d
                   -2 :               0.00002829802898
                   -1 :               0.00002525891206
                   +0 :               0.00004193729589
                   +1 :              -0.00002335922605
                   +2 :              -0.00000394906070
             11 vec=   -10.373550      6.231434     10.693237   |vec|=   16.148889
                2s
                   +0 :               0.00011972240882
                2p
                   -1 :               0.00005210909413
                   +0 :               0.00003963895824
                   +1 :              -0.00003877734369
                3s
                   +0 :              -0.00038285429828
                4s
                   +0 :               0.00011886125261
                3p
                   -1 :              -0.00026079720282
                   +0 :              -0.00018043854602
                   +1 :               0.00017045327303
                4p
                   -1 :               0.00006795949180
                   +0 :               0.00004310976571
                   +1 :              -0.00002822587688
                3d
                   -2 :               0.00002588337757
                   -1 :              -0.00003186677961
                   +0 :              -0.00000139005002
                   +1 :               0.00002506841706
                   +2 :               0.00002166142568
             12 vec=     5.186775    -11.736082     10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00004179985733
                2p
                   -1 :              -0.00000447923827
                   +0 :              -0.00005646426257
                   +1 :              -0.00003418200428
                3s
                   +0 :              -0.00001710158401
                4s
                   +0 :              -0.00006586589603
                3p
                   -1 :               0.00010284444391
                   +0 :               0.00018149506119
                   +1 :               0.00015282815166
                4p
                   -1 :               0.00001592032258
                   +0 :              -0.00007975645450
                   +1 :              -0.00003745604003
                3d
                   -2 :              -0.00007061112871
                   -1 :               0.00001692305267
                   +0 :               0.00005289269809
                   +1 :               0.00002183519398
                   +2 :               0.00007887714292
             13 vec=    12.966938      1.739555     10.693237   |vec|=   16.897125
                2s
                   +0 :              -0.00001441705343
                2p
                   -1 :              -0.00001994584123
                   +0 :              -0.00000428446566
                   +1 :               0.00001849131358
                3s
                   +0 :               0.00012739331341
                4s
                   +0 :              -0.00005938466068
                3p
                   -1 :               0.00011656237739
                   +0 :               0.00004830403889
                   +1 :              -0.00006286449542
                4p
                   -1 :              -0.00004158364480
                   +0 :              -0.00001954520242
                   +1 :               0.00001937457415
                3d
                   -2 :               0.00001820268825
                   -1 :               0.00000693946586
                   +0 :               0.00001230794119
                   +1 :              -0.00000471119324
                   +2 :              -0.00004473935779
             14 vec=   -10.373550     -2.752324    -13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00004600606327
                2p
                   -1 :               0.00001755925187
                   +0 :              -0.00000268188261
                   +1 :               0.00002340186007
                3s
                   +0 :               0.00000464626882
                4s
                   +0 :              -0.00001536628617
                3p
                   -1 :              -0.00002129534382
                   +0 :               0.00007664690312
                   +1 :              -0.00000326233001
                4p
                   -1 :               0.00002586836439
                   +0 :              -0.00004041930549
                   +1 :               0.00001539104861
                3d
                   -2 :              -0.00001468041535
                   -1 :              -0.00000593854044
                   +0 :              -0.00000050785928
                   +1 :               0.00000326973391
                   +2 :              -0.00003030041845
             15 vec=    -2.593388     10.723313    -13.854306   |vec|=   17.710361
                2s
                   +0 :               0.00002406929973
                2p
                   -1 :               0.00002587560706
                   +0 :              -0.00001977345522
                   +1 :              -0.00000083543097
                3s
                   +0 :               0.00007647247134
                4s
                   +0 :               0.00000104693431
                3p
                   -1 :              -0.00000383584960
                   +0 :               0.00006769834600
                   +1 :              -0.00002920614397
                4p
                   -1 :               0.00001484921927
                   +0 :              -0.00001356716415
                   +1 :              -0.00000877393012
                3d
                   -2 :              -0.00002566947825
                   -1 :               0.00001638163068
                   +0 :              -0.00003011612000
                   +1 :               0.00001941670767
                   +2 :              -0.00000337115407
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al(  2)  npairs=  13
              1 vec=    -2.593388      1.739555     -6.601980   |vec|=    7.303276
                2s
                   +0 :              -0.00322404722439
                2p
                   -1 :              -0.00005074973730
                   +0 :               0.00149140538609
                   +1 :               0.00072692349299
                3s
                   +0 :               0.01100067755843
                4s
                   +0 :              -0.00421807696084
                3p
                   -1 :              -0.00491861960977
                   +0 :              -0.00446850735140
                   +1 :              -0.00590632511997
                4p
                   -1 :               0.00047580355051
                   +0 :               0.00160254498135
                   +1 :               0.00078916019578
                3d
                   -2 :               0.00074221315289
                   -1 :               0.00163961995483
                   +0 :              -0.00039004753165
                   +1 :               0.00062407453634
                   +2 :               0.00042696483894
              2 vec=     5.186775     -2.752324     -6.601980   |vec|=    8.835387
                2s
                   +0 :               0.00037323786438
                2p
                   -1 :              -0.00045219682581
                   +0 :              -0.00019216419656
                   +1 :              -0.00062118155440
                3s
                   +0 :              -0.00410510700085
                4s
                   +0 :              -0.00097542543935
                3p
                   -1 :               0.00356998342408
                   +0 :               0.00320703259179
                   +1 :               0.00219576129457
                4p
                   -1 :              -0.00073877462352
                   +0 :               0.00026333184199
                   +1 :              -0.00192565715424
                3d
                   -2 :               0.00118569692481
                   -1 :              -0.00103585354404
                   +0 :              -0.00032351065747
                   +1 :               0.00042659993402
                   +2 :               0.00121654930567
              3 vec=    -2.593388     -7.244203     -6.601980   |vec|=   10.138554
                2s
                   +0 :               0.00082223981523
                2p
                   -1 :              -0.00085512647053
                   +0 :               0.00000012866690
                   +1 :              -0.00006664613353
                3s
                   +0 :              -0.00511015629772
                4s
                   +0 :               0.00245356111525
                3p
                   -1 :               0.00576543719417
                   +0 :               0.00111707025251
                   +1 :               0.00018708875184
                4p
                   -1 :              -0.00189256957475
                   +0 :              -0.00060445059478
                   +1 :              -0.00041223468791
                3d
                   -2 :              -0.00045618552512
                   -1 :              -0.00073958106306
                   +0 :               0.00020068767113
                   +1 :               0.00024896211135
                   +2 :               0.00084750348256
              4 vec=     5.186775      6.231434     -6.601980   |vec|=   10.455599
                2s
                   +0 :              -0.00113473955497
                2p
                   -1 :              -0.00021877296851
                   +0 :               0.00036521676837
                   +1 :              -0.00005787259980
                3s
                   +0 :               0.00454447191240
                4s
                   +0 :              -0.00131135126117
                3p
                   -1 :               0.00099678594638
                   +0 :              -0.00176448203031
                   +1 :               0.00063897796812
                4p
                   -1 :              -0.00023707334588
                   +0 :               0.00046212734194
                   +1 :               0.00003078466241
                3d
                   -2 :               0.00007270576859
                   -1 :               0.00004785672290
                   +0 :               0.00055828975819
                   +1 :              -0.00013678851050
                   +2 :              -0.00030353615315
              5 vec=   -10.373550     -2.752324     -6.601980   |vec|=   12.600475
                2s
                   +0 :              -0.00041324593195
                2p
                   -1 :               0.00017840388246
                   +0 :               0.00028812322367
                   +1 :               0.00005133634144
                3s
                   +0 :               0.00190994794258
                4s
                   +0 :              -0.00078132057020
                3p
                   -1 :              -0.00111640841862
                   +0 :              -0.00169606483175
                   +1 :              -0.00046356768250
                4p
                   -1 :               0.00033289145008
                   +0 :               0.00045657153086
                   +1 :               0.00009893965297
                3d
                   -2 :               0.00010981633725
                   -1 :               0.00021949678687
                   +0 :               0.00011981797209
                   +1 :               0.00025692448028
                   +2 :              -0.00003641830864
              6 vec=    -2.593388     10.723313     -6.601980   |vec|=   12.856953
                2s
                   +0 :              -0.00024884514747
                2p
                   -1 :               0.00002804938514
                   +0 :               0.00007415849190
                   +1 :               0.00001393472705
                3s
                   +0 :               0.00172647758711
                4s
                   +0 :              -0.00026468835088
                3p
                   -1 :               0.00027692607912
                   +0 :              -0.00102617682903
                   +1 :              -0.00018337497758
                4p
                   -1 :               0.00013604828016
                   +0 :               0.00017878753804
                   +1 :               0.00015785590125
                3d
                   -2 :              -0.00012498066636
                   -1 :              -0.00025549292615
                   +0 :               0.00012832082716
                   +1 :               0.00001967626579
                   +2 :              -0.00012797044072
              7 vec=   -10.373550      6.231434     -6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00002714784407
                2p
                   -1 :              -0.00005456733891
                   +0 :              -0.00005170302614
                   +1 :               0.00003978678046
                3s
                   +0 :               0.00055227315853
                4s
                   +0 :              -0.00032650969639
                3p
                   -1 :               0.00037877197471
                   +0 :               0.00014660383133
                   +1 :              -0.00059027054279
                4p
                   -1 :              -0.00013077772074
                   +0 :               0.00003339334687
                   +1 :               0.00026896186978
                3d
                   -2 :              -0.00006936125174
                   -1 :               0.00012664876289
                   +0 :              -0.00000747675205
                   +1 :               0.00005811217058
                   +2 :               0.00007268420549
              8 vec=     5.186775    -11.736082     -6.601980   |vec|=   14.429982
                2s
                   +0 :               0.00021723274611
                2p
                   -1 :              -0.00003580176721
                   +0 :              -0.00016637196865
                   +1 :               0.00005903992542
                3s
                   +0 :              -0.00112840723059
                4s
                   +0 :               0.00037538467155
                3p
                   -1 :               0.00036992072003
                   +0 :               0.00090603701468
                   +1 :              -0.00044498392476
                4p
                   -1 :              -0.00010252408491
                   +0 :              -0.00018649711012
                   +1 :               0.00015057694876
                3d
                   -2 :               0.00003989626347
                   -1 :              -0.00007325610739
                   +0 :              -0.00005207106520
                   +1 :               0.00008939549109
                   +2 :               0.00003273034578
              9 vec=    12.966938      1.739555     -6.601980   |vec|=   14.654476
                2s
                   +0 :               0.00004144948583
                2p
                   -1 :               0.00002060209078
                   +0 :               0.00001208905233
                   +1 :              -0.00000248124483
                3s
                   +0 :              -0.00007003169182
                4s
                   +0 :              -0.00000861743652
                3p
                   -1 :              -0.00007733235430
                   +0 :              -0.00011797677663
                   +1 :               0.00004226414875
                4p
                   -1 :              -0.00001387558071
                   +0 :               0.00004697058052
                   +1 :              -0.00000908043798
                3d
                   -2 :               0.00005801652089
                   -1 :               0.00004995571774
                   +0 :               0.00007159910987
                   +1 :               0.00000860322387
                   +2 :               0.00003071059258
             10 vec=    12.966938     -7.244203     -6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00005813304526
                2p
                   -1 :              -0.00002140127765
                   +0 :              -0.00005161349811
                   +1 :               0.00001404030039
                3s
                   +0 :              -0.00024148992135
                4s
                   +0 :               0.00002625538977
                3p
                   -1 :               0.00008260560840
                   +0 :               0.00024685552085
                   +1 :              -0.00006394569142
                4p
                   -1 :               0.00000752686734
                   +0 :              -0.00003504580696
                   +1 :              -0.00000256680474
                3d
                   -2 :               0.00002148873354
                   -1 :              -0.00004064365928
                   +0 :              -0.00000770673599
                   +1 :               0.00004731765845
                   +2 :               0.00002984226649
             11 vec=   -10.373550    -11.736082     -6.601980   |vec|=   16.998009
                2s
                   +0 :               0.00006445177387
                2p
                   -1 :              -0.00000620302614
                   +0 :              -0.00001176424735
                   +1 :              -0.00000133526409
                3s
                   +0 :              -0.00042956980643
                4s
                   +0 :               0.00007804582903
                3p
                   -1 :               0.00008174544748
                   +0 :               0.00018379121492
                   +1 :               0.00009447892906
                4p
                   -1 :              -0.00000305359975
                   +0 :              -0.00003077319700
                   +1 :               0.00001321870507
                3d
                   -2 :              -0.00006424794843
                   -1 :              -0.00004453805366
                   +0 :              -0.00003473298466
                   +1 :              -0.00003555335283
                   +2 :               0.00002704504968
             12 vec=     5.186775     15.215192     -6.601980   |vec|=   17.377884
                2s
                   +0 :              -0.00004031673247
                2p
                   -1 :               0.00001456645641
                   +0 :               0.00001425800353
                   +1 :               0.00002424048403
                3s
                   +0 :               0.00030340660911
                4s
                   +0 :              -0.00005495460549
                3p
                   -1 :              -0.00000618380383
                   +0 :              -0.00014555935773
                   +1 :              -0.00012529000071
                4p
                   -1 :               0.00001990032591
                   +0 :               0.00002297362065
                   +1 :               0.00004389787092
                3d
                   -2 :              -0.00003103449967
                   -1 :              -0.00002724210759
                   +0 :               0.00001112746152
                   +1 :               0.00000720966662
                   +2 :              -0.00002290280684
             13 vec=    -2.593388    -16.227961     -6.601980   |vec|=   17.710407
                2s
                   +0 :               0.00004778844219
                2p
                   -1 :              -0.00000703020144
                   +0 :               0.00000617712179
                   +1 :               0.00003292384906
                3s
                   +0 :              -0.00025937561079
                4s
                   +0 :               0.00008909061890
                3p
                   -1 :               0.00007831811726
                   +0 :              -0.00000383460705
                   +1 :              -0.00019664333255
                4p
                   -1 :              -0.00002475715548
                   +0 :              -0.00000695702228
                   +1 :               0.00006566677419
                3d
                   -2 :              -0.00000878375339
                   -1 :               0.00003040933131
                   +0 :              -0.00001973415764
                   +1 :               0.00001803842841
                   +2 :               0.00001232492628
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Cr(  3)  npairs=  14
              1 vec=    -2.593388      1.739555      5.671791   |vec|=    6.474637
                3s
                   +0 :               0.00157737967584
                3p
                   -1 :               0.00016361282782
                   +0 :               0.00014702992080
                   +1 :              -0.00139061763479
                4s
                   +0 :              -0.00263901733263
                5s
                   +0 :               0.00013080676525
                3d
                   -2 :              -0.00087397044239
                   -1 :              -0.00021738222487
                   +0 :              -0.00071484224865
                   +1 :              -0.00123048498261
                   +2 :              -0.00126515080861
                4d
                   -2 :               0.00088078714373
                   -1 :              -0.00114947755142
                   +0 :              -0.00151111911667
                   +1 :               0.00062452137925
                   +2 :               0.00085546326503
                4p
                   -1 :              -0.00088673435172
                   +0 :              -0.00075694920603
                   +1 :               0.00182429890235
              2 vec=     5.186775     -2.752324      5.671791   |vec|=    8.163770
                3s
                   +0 :              -0.00084484736674
                3p
                   -1 :               0.00053248838139
                   +0 :              -0.00103143635975
                   +1 :              -0.00010539128416
                4s
                   +0 :               0.00233361153023
                5s
                   +0 :               0.00015891211486
                3d
                   -2 :              -0.00150815043077
                   -1 :              -0.00017582330938
                   +0 :              -0.00142247045713
                   +1 :              -0.00134705454170
                   +2 :              -0.00271619239801
                4d
                   -2 :              -0.00047901928122
                   -1 :              -0.00063197886311
                   +0 :               0.00022065891353
                   +1 :               0.00009441882915
                   +2 :              -0.00055094388892
                4p
                   -1 :              -0.00177417586585
                   +0 :               0.00120729142472
                   +1 :              -0.00033120622783
              3 vec=    -2.593388     -7.244203      5.671791   |vec|=    9.558941
                3s
                   +0 :               0.00031016163965
                3p
                   -1 :               0.00058825205875
                   +0 :               0.00044206730843
                   +1 :              -0.00037487089528
                4s
                   +0 :               0.00056152272521
                5s
                   +0 :              -0.00026288408648
                3d
                   -2 :              -0.00062481379008
                   -1 :               0.00063582415696
                   +0 :               0.00029808044072
                   +1 :              -0.00090867618843
                   +2 :               0.00161857352676
                4d
                   -2 :               0.00049544724435
                   -1 :              -0.00074134502285
                   +0 :               0.00012805210842
                   +1 :               0.00036834793100
                   +2 :              -0.00095379617030
                4p
                   -1 :              -0.00174450185164
                   +0 :              -0.00029892312865
                   +1 :               0.00111746812538
              4 vec=     5.186775      6.231434      5.671791   |vec|=    9.894576
                3s
                   +0 :              -0.00264996409711
                3p
                   -1 :              -0.00188494671860
                   +0 :              -0.00067706778829
                   +1 :               0.00028030834065
                4s
                   +0 :               0.00419690982296
                5s
                   +0 :              -0.00026996121802
                3d
                   -2 :               0.00056123800775
                   -1 :              -0.00063727667213
                   +0 :               0.00081906502232
                   +1 :               0.00044938526692
                   +2 :               0.00129878621981
                4d
                   -2 :              -0.00024930298598
                   -1 :               0.00086951243567
                   +0 :              -0.00073909079369
                   +1 :              -0.00039259873431
                   +2 :              -0.00128965348164
                4p
                   -1 :               0.00337790794408
                   +0 :               0.00090529007265
                   +1 :              -0.00085237889725
              5 vec=   -10.373550     -2.752324      5.671791   |vec|=   12.138989
                3s
                   +0 :               0.00016336094603
                3p
                   -1 :              -0.00006303927505
                   +0 :               0.00023477939464
                   +1 :              -0.00007349504601
                4s
                   +0 :              -0.00039831477873
                5s
                   +0 :               0.00012993480425
                3d
                   -2 :              -0.00009876389999
                   -1 :              -0.00032781720633
                   +0 :               0.00052568648054
                   +1 :              -0.00048366223851
                   +2 :              -0.00018055888142
                4d
                   -2 :               0.00007932365290
                   -1 :               0.00009127477911
                   +0 :              -0.00000620768803
                   +1 :               0.00016251412920
                   +2 :              -0.00020695329653
                4p
                   -1 :               0.00002585241861
                   +0 :              -0.00020565852038
                   +1 :               0.00022742169667
              6 vec=    -2.593388     10.723313      5.671791   |vec|=   12.405012
                3s
                   +0 :              -0.00022687205001
                3p
                   -1 :              -0.00033560144003
                   +0 :              -0.00014248408004
                   +1 :               0.00006382803302
                4s
                   +0 :               0.00002364777367
                5s
                   +0 :              -0.00002093677548
                3d
                   -2 :               0.00011955406158
                   -1 :              -0.00042824239077
                   +0 :               0.00035551442600
                   +1 :               0.00010591390320
                   +2 :               0.00078775587939
                4d
                   -2 :              -0.00020449391361
                   -1 :               0.00014671932902
                   +0 :              -0.00003046953429
                   +1 :              -0.00010697923385
                   +2 :              -0.00007869584959
                4p
                   -1 :              -0.00002125389484
                   +0 :               0.00010254566904
                   +1 :              -0.00027730948599
              7 vec=   -10.373550      6.231434      5.671791   |vec|=   13.364525
                3s
                   +0 :              -0.00025413770372
                3p
                   -1 :               0.00001879260061
                   +0 :              -0.00007450257427
                   +1 :               0.00005129421105
                4s
                   +0 :               0.00050396699188
                5s
                   +0 :              -0.00004190046999
                3d
                   -2 :              -0.00018986401196
                   -1 :               0.00026561978584
                   +0 :               0.00013874721085
                   +1 :               0.00026473625785
                   +2 :              -0.00010712296217
                4d
                   -2 :               0.00004952117081
                   -1 :              -0.00003717844054
                   +0 :              -0.00008120326464
                   +1 :              -0.00004528174072
                   +2 :              -0.00000675358907
                4p
                   -1 :               0.00004441975378
                   +0 :               0.00015241370528
                   +1 :              -0.00011066992590
              8 vec=     5.186775    -11.736082      5.671791   |vec|=   14.028809
                3s
                   +0 :               0.00079667518970
                3p
                   -1 :              -0.00031774200596
                   +0 :               0.00020579890630
                   +1 :               0.00039901887406
                4s
                   +0 :              -0.00122796670572
                5s
                   +0 :               0.00005393471286
                3d
                   -2 :              -0.00051769877552
                   -1 :              -0.00037938773281
                   +0 :              -0.00003003260377
                   +1 :               0.00073647633714
                   +2 :               0.00046746303110
                4d
                   -2 :               0.00022178602498
                   -1 :               0.00025883345935
                   +0 :               0.00003030699903
                   +1 :              -0.00031970678397
                   +2 :              -0.00016096525828
                4p
                   -1 :               0.00042197442201
                   +0 :              -0.00031852133510
                   +1 :              -0.00050796868958
              9 vec=    12.966938      1.739555      5.671791   |vec|=   14.259619
                3s
                   +0 :              -0.00010503239011
                3p
                   -1 :              -0.00000265090969
                   +0 :              -0.00003635298157
                   +1 :              -0.00001077734429
                4s
                   +0 :               0.00037096133321
                5s
                   +0 :              -0.00011705808836
                3d
                   -2 :               0.00016275549886
                   -1 :               0.00011927766112
                   +0 :               0.00001386944983
                   +1 :              -0.00018869020984
                   +2 :              -0.00004574476447
                4d
                   -2 :               0.00002390219219
                   -1 :               0.00002521738915
                   +0 :              -0.00007700560023
                   +1 :              -0.00000622725619
                   +2 :               0.00002242663491
                4p
                   -1 :               0.00010693675069
                   +0 :               0.00003231838564
                   +1 :               0.00006066197163
             10 vec=    12.966938     -7.244203      5.671791   |vec|=   15.899345
                3s
                   +0 :               0.00000493425007
                3p
                   -1 :              -0.00004186095151
                   +0 :              -0.00001000782264
                   +1 :               0.00001393661753
                4s
                   +0 :               0.00001129859063
                5s
                   +0 :               0.00000028211889
                3d
                   -2 :              -0.00015781111282
                   -1 :              -0.00010432795501
                   +0 :              -0.00006835722790
                   +1 :               0.00005535245191
                   +2 :               0.00006587058801
                4d
                   -2 :               0.00001587689142
                   -1 :               0.00003443232488
                   +0 :               0.00001492239436
                   +1 :               0.00001860165118
                   +2 :               0.00001480871767
                4p
                   -1 :               0.00005860902136
                   +0 :               0.00002364133680
                   +1 :               0.00000117167535
             11 vec=   -10.373550    -11.736082      5.671791   |vec|=   16.658793
                3s
                   +0 :               0.00012628017699
                3p
                   -1 :              -0.00007263904329
                   +0 :               0.00005843597202
                   +1 :              -0.00010926801721
                4s
                   +0 :              -0.00018438205493
                5s
                   +0 :               0.00000968782071
                3d
                   -2 :               0.00036497577081
                   -1 :              -0.00015979468148
                   +0 :              -0.00014799753635
                   +1 :              -0.00023415838923
                   +2 :               0.00016936316040
                4d
                   -2 :              -0.00012420574675
                   -1 :               0.00007465563713
                   +0 :               0.00001813978691
                   +1 :               0.00009512067054
                   +2 :              -0.00001901063539
                4p
                   -1 :               0.00009704134907
                   +0 :              -0.00011324214781
                   +1 :               0.00015224181588
             12 vec=     5.186775     15.215192      5.671791   |vec|=   17.046229
                3s
                   +0 :              -0.00016628625712
                3p
                   -1 :              -0.00009984565871
                   +0 :              -0.00006849614465
                   +1 :               0.00002047654296
                4s
                   +0 :               0.00031574785111
                5s
                   +0 :              -0.00004743855955
                3d
                   -2 :              -0.00004424976264
                   -1 :              -0.00025886130924
                   +0 :               0.00002828965574
                   +1 :               0.00002204239054
                   +2 :               0.00021067751707
                4d
                   -2 :              -0.00000262301158
                   -1 :               0.00013434269401
                   +0 :               0.00001284579136
                   +1 :              -0.00000321590433
                   +2 :              -0.00008046151866
                4p
                   -1 :               0.00018498301051
                   +0 :               0.00012595067044
                   +1 :              -0.00002222641048
             13 vec=    -2.593388    -16.227961      5.671791   |vec|=   17.385097
                3s
                   +0 :               0.00000587564643
                3p
                   -1 :               0.00000298615358
                   +0 :               0.00004210543365
                   +1 :               0.00000258194432
                4s
                   +0 :               0.00001734481389
                5s
                   +0 :              -0.00000212999493
                3d
                   -2 :               0.00001147758718
                   -1 :              -0.00004760697691
                   +0 :              -0.00003253687032
                   +1 :              -0.00002669255329
                   +2 :               0.00009126566232
                4d
                   -2 :               0.00000222374792
                   -1 :              -0.00000030212194
                   +0 :               0.00002875985876
                   +1 :              -0.00000395880323
                   +2 :              -0.00001459315901
                4p
                   -1 :              -0.00001040317666
                   +0 :              -0.00005705384722
                   +1 :              -0.00001133446716
             14 vec=    12.966938     10.723313      5.671791   |vec|=   17.756693
                3s
                   +0 :              -0.00000219155160
                3p
                   -1 :              -0.00002417844232
                   +0 :               0.00001994550184
                   +1 :               0.00001556169985
                4s
                   +0 :              -0.00000935558011
                5s
                   +0 :              -0.00000295736639
                3d
                   -2 :              -0.00000998845099
                   -1 :               0.00001585969591
                   +0 :              -0.00000657033848
                   +1 :              -0.00000420862253
                   +2 :               0.00003721471928
                4d
                   -2 :               0.00004952299492
                   -1 :               0.00003601646699
                   +0 :               0.00000542046917
                   +1 :              -0.00003379218120
                   +2 :              -0.00004458784547
                4p
                   -1 :               0.00004942149510
                   +0 :              -0.00003239595372
                   +1 :              -0.00003889124976
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al(  4)  npairs=  14
              1 vec=    -2.593388      1.739555     -1.580534   |vec|=    3.499971
                2s
                   +0 :               0.02403699244507
                2p
                   -1 :               0.00696597882422
                   +0 :              -0.01575550259868
                   +1 :              -0.02328642457855
                3s
                   +0 :               0.06855096289219
                4s
                   +0 :               0.00511541280127
                3p
                   -1 :               0.00278336596471
                   +0 :              -0.02808849941179
                   +1 :              -0.05272027828172
                4p
                   -1 :               0.00333141635371
                   +0 :              -0.00722222767236
                   +1 :              -0.01154040999185
                3d
                   -2 :              -0.01117984379735
                   -1 :              -0.00600077075799
                   +0 :               0.00071441349997
                   +1 :               0.03660922916389
                   +2 :               0.03456149782939
              2 vec=     5.186775     -2.752324     -1.580534   |vec|=    6.080790
                2s
                   +0 :               0.00287557929615
                2p
                   -1 :              -0.00110932471452
                   +0 :              -0.00003519653715
                   +1 :               0.00285168503018
                3s
                   +0 :              -0.00751108161513
                4s
                   +0 :               0.00445660876784
                3p
                   -1 :               0.00376089038783
                   +0 :              -0.00119118750480
                   +1 :              -0.00867013597870
                4p
                   -1 :              -0.00084318742136
                   +0 :               0.00029505060925
                   +1 :               0.00380497942108
                3d
                   -2 :               0.00182371618787
                   -1 :              -0.00050931703067
                   +0 :               0.00127028821895
                   +1 :               0.00012379118800
                   +2 :               0.00239388349182
              3 vec=    -2.593388     -7.244203     -1.580534   |vec|=    7.855076
                2s
                   +0 :               0.00006200488833
                2p
                   -1 :              -0.00049352716677
                   +0 :               0.00011866551069
                   +1 :              -0.00044969665614
                3s
                   +0 :              -0.01265876176004
                4s
                   +0 :               0.00013506767791
                3p
                   -1 :               0.00691795782858
                   +0 :               0.00786950105203
                   +1 :              -0.00387945080683
                4p
                   -1 :              -0.00011120784047
                   +0 :              -0.00025784626631
                   +1 :              -0.00020171361050
                3d
                   -2 :               0.00284988514178
                   -1 :              -0.00303208112845
                   +0 :              -0.00107998873246
                   +1 :               0.00085065162600
                   +2 :               0.00158649774065
              4 vec=     5.186775      6.231434     -1.580534   |vec|=    8.260236
                2s
                   +0 :              -0.00039943000846
                2p
                   -1 :               0.00090741598846
                   +0 :               0.00006313656230
                   +1 :              -0.00003467815367
                3s
                   +0 :               0.00843180526876
                4s
                   +0 :              -0.00092482002167
                3p
                   -1 :              -0.00654199812251
                   +0 :              -0.00576769075636
                   +1 :               0.00565693477987
                4p
                   -1 :               0.00111043458207
                   +0 :               0.00053291074304
                   +1 :              -0.00020288834099
                3d
                   -2 :              -0.00178682791427
                   -1 :               0.00070646960876
                   +0 :               0.00093776230709
                   +1 :              -0.00330290799890
                   +2 :               0.00237134072163
              5 vec=   -10.373550     -2.752324     -1.580534   |vec|=   10.848222
                2s
                   +0 :              -0.00011275764081
                2p
                   -1 :               0.00013098178011
                   +0 :              -0.00019581570213
                   +1 :               0.00015193073917
                3s
                   +0 :              -0.00115086611984
                4s
                   +0 :               0.00009411314518
                3p
                   -1 :              -0.00126047916430
                   +0 :               0.00119657415251
                   +1 :               0.00036585280807
                4p
                   -1 :               0.00005467361799
                   +0 :              -0.00006897104370
                   +1 :              -0.00000514610119
                3d
                   -2 :               0.00028999220773
                   -1 :               0.00025764648779
                   +0 :              -0.00000263541307
                   +1 :              -0.00024088905202
                   +2 :               0.00037064092541
              6 vec=    -2.593388     10.723313     -1.580534   |vec|=   11.145097
                2s
                   +0 :              -0.00046461089413
                2p
                   -1 :              -0.00024951490862
                   +0 :               0.00002031510701
                   +1 :              -0.00017812197568
                3s
                   +0 :               0.00347298827691
                4s
                   +0 :              -0.00108458227958
                3p
                   -1 :               0.00273434688237
                   +0 :              -0.00091982070637
                   +1 :               0.00026415774260
                4p
                   -1 :              -0.00064361299194
                   +0 :               0.00014959755140
                   +1 :              -0.00027443463816
                3d
                   -2 :               0.00033243199170
                   -1 :              -0.00042673907881
                   +0 :              -0.00008717131702
                   +1 :               0.00024624516419
                   +2 :              -0.00058742070184
              7 vec=   -10.373550      6.231434     -1.580534   |vec|=   12.204073
                2s
                   +0 :              -0.00028352599023
                2p
                   -1 :              -0.00012465149686
                   +0 :               0.00019073081711
                   +1 :               0.00015981820432
                3s
                   +0 :               0.00081140284807
                4s
                   +0 :              -0.00011100374721
                3p
                   -1 :               0.00082354571748
                   +0 :              -0.00091570928592
                   +1 :              -0.00063828968967
                4p
                   -1 :              -0.00019595015001
                   +0 :               0.00012696328964
                   +1 :               0.00012738372632
                3d
                   -2 :              -0.00029558017565
                   -1 :              -0.00007307106905
                   +0 :              -0.00011247847111
                   +1 :               0.00016296395279
                   +2 :              -0.00013224154616
              8 vec=     5.186775    -11.736082     -1.580534   |vec|=   12.928122
                2s
                   +0 :               0.00032169789431
                2p
                   -1 :               0.00017961814860
                   +0 :               0.00014053139134
                   +1 :               0.00005473911109
                3s
                   +0 :              -0.00257771004744
                4s
                   +0 :               0.00033340253396
                3p
                   -1 :               0.00027282865680
                   +0 :               0.00084599557168
                   +1 :               0.00065440047157
                4p
                   -1 :               0.00021591967730
                   +0 :              -0.00001460749825
                   +1 :               0.00005750906506
                3d
                   -2 :              -0.00054514573642
                   -1 :              -0.00052440496650
                   +0 :              -0.00019935355713
                   +1 :              -0.00042431755592
                   +2 :              -0.00011113929199
              9 vec=    12.966938      1.739555     -1.580534   |vec|=   13.178225
                2s
                   +0 :              -0.00023487155404
                2p
                   -1 :               0.00003789572988
                   +0 :               0.00006702332803
                   +1 :              -0.00001281790259
                3s
                   +0 :               0.00104951759406
                4s
                   +0 :              -0.00008129887843
                3p
                   -1 :               0.00005329867577
                   +0 :              -0.00072243181206
                   +1 :               0.00016587372325
                4p
                   -1 :               0.00006259590424
                   +0 :               0.00016592823669
                   +1 :               0.00010563133406
                3d
                   -2 :               0.00004997696245
                   -1 :              -0.00015466092432
                   +0 :               0.00010628101244
                   +1 :              -0.00029136899755
                   +2 :              -0.00006584174343
             10 vec=    12.966938     -7.244203     -1.580534   |vec|=   14.937136
                2s
                   +0 :               0.00014425448717
                2p
                   -1 :              -0.00004925672158
                   +0 :               0.00001286807603
                   +1 :               0.00004512224014
                3s
                   +0 :              -0.00084628615371
                4s
                   +0 :               0.00029473971824
                3p
                   -1 :               0.00019646156934
                   +0 :               0.00006229297220
                   +1 :              -0.00051721540322
                4p
                   -1 :              -0.00009891642963
                   +0 :               0.00000994013294
                   +1 :               0.00014304130193
                3d
                   -2 :               0.00003319675298
                   -1 :               0.00005704825649
                   +0 :              -0.00002206087215
                   +1 :               0.00006075072273
                   +2 :              -0.00002571144918
             11 vec=   -10.373550    -11.736082     -1.580534   |vec|=   15.743070
                2s
                   +0 :               0.00014212021231
                2p
                   -1 :              -0.00008766604586
                   +0 :              -0.00004705498061
                   +1 :              -0.00004917764497
                3s
                   +0 :              -0.00046805865953
                4s
                   +0 :               0.00018677789307
                3p
                   -1 :               0.00036549493741
                   +0 :               0.00030682232708
                   +1 :               0.00033021938481
                4p
                   -1 :              -0.00006841797952
                   +0 :              -0.00008230626333
                   +1 :              -0.00008433292701
                3d
                   -2 :              -0.00010392772794
                   -1 :              -0.00005523408509
                   +0 :               0.00008719507971
                   +1 :              -0.00009276776534
                   +2 :              -0.00006184639476
             12 vec=     5.186775     15.215192     -1.580534   |vec|=   16.152486
                2s
                   +0 :              -0.00006866966225
                2p
                   -1 :               0.00001233677789
                   +0 :              -0.00001161623202
                   +1 :              -0.00002346821502
                3s
                   +0 :               0.00026706320070
                4s
                   +0 :               0.00002159243856
                3p
                   -1 :              -0.00021144845867
                   +0 :               0.00000544725203
                   +1 :               0.00017325127595
                4p
                   -1 :               0.00012083474489
                   +0 :              -0.00002654897297
                   +1 :              -0.00004364242395
                3d
                   -2 :               0.00006511639857
                   -1 :              -0.00000141653222
                   +0 :              -0.00001922051949
                   +1 :              -0.00003431088828
                   +2 :               0.00006159727284
             13 vec=    -2.593388    -16.227961     -1.580534   |vec|=   16.509708
                2s
                   +0 :               0.00010683884248
                2p
                   -1 :              -0.00003141920989
                   +0 :              -0.00001869382944
                   +1 :               0.00001369999109
                3s
                   +0 :              -0.00048790866237
                4s
                   +0 :               0.00007436248760
                3p
                   -1 :               0.00017666594079
                   +0 :               0.00017489384667
                   +1 :              -0.00006382715524
                4p
                   -1 :              -0.00001170876641
                   +0 :              -0.00000296636201
                   +1 :               0.00000431214207
                3d
                   -2 :              -0.00000129309454
                   -1 :              -0.00007527703516
                   +0 :              -0.00000244613982
                   +1 :               0.00004205739733
                   +2 :               0.00002013449360
             14 vec=    12.966938     10.723313     -1.580534   |vec|=   16.900562
                2s
                   +0 :               0.00001128309176
                2p
                   -1 :              -0.00002099521111
                   +0 :              -0.00001462676639
                   +1 :               0.00001213240136
                3s
                   +0 :               0.00016399176370
                4s
                   +0 :              -0.00007800769183
                3p
                   -1 :               0.00021365905142
                   +0 :               0.00000234847964
                   +1 :               0.00004574004479
                4p
                   -1 :              -0.00004737845683
                   +0 :              -0.00001200139101
                   +1 :              -0.00004575931659
                3d
                   -2 :               0.00002934806824
                   -1 :              -0.00003385197299
                   +0 :              -0.00000025814608
                   +1 :               0.00001828465600
                   +2 :              -0.00002062645739
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al(  5)  npairs=  14
              1 vec=     2.593388      1.739555     -5.671873   |vec|=    6.474709
                2s
                   +0 :              -0.00098285279892
                2p
                   -1 :               0.00020474830146
                   +0 :               0.00062489773292
                   +1 :              -0.00061768710422
                3s
                   +0 :               0.00223097175931
                4s
                   +0 :              -0.00062641987843
                3p
                   -1 :              -0.00216633430534
                   +0 :              -0.00360733496876
                   +1 :               0.00225008291850
                4p
                   -1 :               0.00082570015720
                   +0 :               0.00160769844371
                   +1 :               0.00003481153250
                3d
                   -2 :               0.00095191472598
                   -1 :              -0.00181976519109
                   +0 :               0.00156517333524
                   +1 :               0.00034671298154
                   +2 :              -0.00090530198230
              2 vec=    -5.186775     -2.752324     -5.671873   |vec|=    8.163827
                2s
                   +0 :               0.00023017870586
                2p
                   -1 :              -0.00051941625018
                   +0 :              -0.00079335749538
                   +1 :               0.00036938875720
                3s
                   +0 :              -0.00211541007997
                4s
                   +0 :              -0.00086731743155
                3p
                   -1 :               0.00453655190054
                   +0 :               0.00340316593255
                   +1 :              -0.00227890424192
                4p
                   -1 :              -0.00085747309134
                   +0 :              -0.00095220605997
                   +1 :               0.00109778785022
                3d
                   -2 :              -0.00123670543912
                   -1 :              -0.00110500742267
                   +0 :               0.00043891044057
                   +1 :               0.00009486125239
                   +2 :               0.00110413220388
              3 vec=     2.593388     -7.244203     -5.671873   |vec|=    9.558990
                2s
                   +0 :              -0.00032666397576
                2p
                   -1 :              -0.00081445489790
                   +0 :               0.00030082567226
                   +1 :              -0.00042974802757
                3s
                   +0 :              -0.00031312558877
                4s
                   +0 :               0.00043847125387
                3p
                   -1 :               0.00503763574400
                   +0 :              -0.00065114801936
                   +1 :               0.00282926996901
                4p
                   -1 :              -0.00150215948031
                   +0 :               0.00011348360441
                   +1 :              -0.00068542742236
                3d
                   -2 :               0.00036437241545
                   -1 :              -0.00077034984810
                   +0 :              -0.00029364208367
                   +1 :              -0.00046712071222
                   +2 :               0.00067077245147
              4 vec=    -5.186775      6.231434     -5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00206972630878
                2p
                   -1 :               0.00139280991046
                   +0 :              -0.00015373869554
                   +1 :               0.00021459517876
                3s
                   +0 :              -0.00579376930379
                4s
                   +0 :               0.00168934932654
                3p
                   -1 :              -0.00630993156756
                   +0 :              -0.00049206020669
                   +1 :              -0.00129802940020
                4p
                   -1 :               0.00140575012420
                   +0 :               0.00063725949682
                   +1 :               0.00010156478090
                3d
                   -2 :              -0.00027631960072
                   -1 :               0.00049876729092
                   +0 :               0.00065575245105
                   +1 :               0.00035660599215
                   +2 :               0.00111459958664
              5 vec=    10.373550     -2.752324     -5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00007555623811
                2p
                   -1 :              -0.00004335399130
                   +0 :               0.00012289370798
                   +1 :              -0.00015438046986
                3s
                   +0 :               0.00034014302422
                4s
                   +0 :              -0.00033290655057
                3p
                   -1 :               0.00040722866402
                   +0 :              -0.00010859286328
                   +1 :               0.00111629997297
                4p
                   -1 :              -0.00009540557526
                   +0 :               0.00003615682511
                   +1 :              -0.00045324599476
                3d
                   -2 :               0.00005040099283
                   -1 :              -0.00009637722933
                   +0 :              -0.00007837581669
                   +1 :              -0.00003996363655
                   +2 :               0.00021420279607
              6 vec=     2.593388     10.723313     -5.671873   |vec|=   12.405049
                2s
                   +0 :               0.00017394632878
                2p
                   -1 :               0.00016690566117
                   +0 :              -0.00006349776464
                   +1 :               0.00010560019174
                3s
                   +0 :               0.00000566355115
                4s
                   +0 :               0.00019401248603
                3p
                   -1 :              -0.00010793148747
                   +0 :               0.00008668411034
                   +1 :              -0.00076286831981
                4p
                   -1 :               0.00012644365841
                   +0 :               0.00000919864874
                   +1 :               0.00016486420506
                3d
                   -2 :              -0.00020956995797
                   -1 :               0.00016058638486
                   +0 :              -0.00007280831647
                   +1 :               0.00015592775596
                   +2 :               0.00000269671215
              7 vec=    10.373550      6.231434     -5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00012615855166
                2p
                   -1 :               0.00000440836029
                   +0 :              -0.00004031420839
                   +1 :               0.00000249436996
                3s
                   +0 :              -0.00041235404317
                4s
                   +0 :               0.00009673929912
                3p
                   -1 :              -0.00013962645782
                   +0 :               0.00014886435491
                   +1 :              -0.00004244662106
                4p
                   -1 :               0.00002393912880
                   +0 :               0.00004601519376
                   +1 :               0.00002480748537
                3d
                   -2 :               0.00001963091590
                   -1 :               0.00000390556342
                   +0 :               0.00005864086839
                   +1 :               0.00002816555584
                   +2 :               0.00009940461734
              8 vec=    -5.186775    -11.736082     -5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00041658837039
                2p
                   -1 :               0.00009735004713
                   +0 :               0.00010260347733
                   +1 :               0.00016274239621
                3s
                   +0 :               0.00082824280284
                4s
                   +0 :              -0.00011739209497
                3p
                   -1 :              -0.00015143340192
                   +0 :              -0.00040546564707
                   +1 :              -0.00039196788484
                4p
                   -1 :              -0.00006012943158
                   +0 :               0.00011197649071
                   +1 :               0.00004384035691
                3d
                   -2 :               0.00005299024157
                   -1 :               0.00012997007431
                   +0 :              -0.00002730911969
                   +1 :               0.00016171012632
                   +2 :               0.00000949439233
              9 vec=   -12.966938      1.739555     -5.671873   |vec|=   14.259652
                2s
                   +0 :               0.00007903789673
                2p
                   -1 :               0.00006140880703
                   +0 :              -0.00001936301923
                   +1 :              -0.00003117712087
                3s
                   +0 :              -0.00042122925605
                4s
                   +0 :               0.00023081765323
                3p
                   -1 :              -0.00046224532676
                   +0 :               0.00004193032524
                   +1 :               0.00027901030777
                4p
                   -1 :               0.00013674355195
                   +0 :              -0.00004714504451
                   +1 :              -0.00013973324092
                3d
                   -2 :               0.00004797987781
                   -1 :               0.00003734212470
                   +0 :               0.00007152147036
                   +1 :               0.00004723149359
                   +2 :               0.00009396425066
             10 vec=   -12.966938     -7.244203     -5.671873   |vec|=   15.899374
                2s
                   +0 :              -0.00001937789450
                2p
                   -1 :               0.00003241488080
                   +0 :              -0.00004534872153
                   +1 :               0.00000348244371
                3s
                   +0 :               0.00003341796504
                4s
                   +0 :              -0.00005675281564
                3p
                   -1 :              -0.00014467910185
                   +0 :               0.00027222197635
                   +1 :               0.00002793471727
                4p
                   -1 :               0.00005045200647
                   +0 :              -0.00008270882730
                   +1 :               0.00000499486517
                3d
                   -2 :               0.00000445789617
                   -1 :               0.00002835659180
                   +0 :              -0.00000409527881
                   +1 :              -0.00004110261139
                   +2 :              -0.00003003450579
             11 vec=    10.373550    -11.736082     -5.671873   |vec|=   16.658821
                2s
                   +0 :              -0.00006157228900
                2p
                   -1 :               0.00003878786028
                   +0 :               0.00005616748972
                   +1 :              -0.00005140931499
                3s
                   +0 :               0.00006385781530
                4s
                   +0 :              -0.00000984931419
                3p
                   -1 :              -0.00013812200796
                   +0 :              -0.00026105354126
                   +1 :               0.00017083845977
                4p
                   -1 :               0.00002194836176
                   +0 :               0.00003637980504
                   +1 :              -0.00003372646419
                3d
                   -2 :              -0.00007617404881
                   -1 :               0.00008302701293
                   +0 :               0.00000876397807
                   +1 :              -0.00008755659729
                   +2 :               0.00001920764543
             12 vec=    -5.186775     15.215192     -5.671873   |vec|=   17.046256
                2s
                   +0 :               0.00011474599450
                2p
                   -1 :               0.00008535853036
                   +0 :              -0.00003435240723
                   +1 :               0.00002850032358
                3s
                   +0 :              -0.00030815195654
                4s
                   +0 :               0.00014232795317
                3p
                   -1 :              -0.00042063327147
                   +0 :               0.00013491746587
                   +1 :              -0.00011914551834
                4p
                   -1 :               0.00011624416369
                   +0 :              -0.00003165619016
                   +1 :               0.00002248061335
                3d
                   -2 :              -0.00001219701617
                   -1 :               0.00009510270111
                   +0 :               0.00001042047361
                   +1 :               0.00001586872382
                   +2 :               0.00006779775601
             13 vec=     2.593388    -16.227961     -5.671873   |vec|=   17.385124
                2s
                   +0 :               0.00001582548994
                2p
                   -1 :              -0.00002972618022
                   +0 :               0.00001289054105
                   +1 :               0.00001284563589
                3s
                   +0 :              -0.00013646307247
                4s
                   +0 :               0.00006846027349
                3p
                   -1 :               0.00016510737942
                   +0 :               0.00000139335135
                   +1 :              -0.00008735573934
                4p
                   -1 :              -0.00005834045545
                   +0 :              -0.00002333774170
                   +1 :               0.00002100809156
                3d
                   -2 :               0.00000211080545
                   -1 :              -0.00000999564798
                   +0 :              -0.00003428914812
                   +1 :               0.00001357795347
                   +2 :               0.00001551197491
             14 vec=   -12.966938     10.723313     -5.671873   |vec|=   17.756719
                2s
                   +0 :              -0.00001932709134
                2p
                   -1 :              -0.00000046970386
                   +0 :               0.00000820017569
                   +1 :              -0.00000225357894
                3s
                   +0 :               0.00009422390268
                4s
                   +0 :              -0.00002218375721
                3p
                   -1 :               0.00001951917608
                   +0 :               0.00000062530064
                   +1 :               0.00001952526297
                4p
                   -1 :              -0.00001512601890
                   +0 :              -0.00002391177012
                   +1 :              -0.00002155727235
                3d
                   -2 :               0.00004629058966
                   -1 :               0.00002579072416
                   +0 :               0.00000262050060
                   +1 :               0.00002066385606
                   +2 :               0.00004280958630
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al(  6)  npairs=  14
              1 vec=     2.593388      1.739555      1.580453   |vec|=    3.499934
                2s
                   +0 :               0.02372388628454
                2p
                   -1 :               0.00681022893476
                   +0 :               0.01587480919259
                   +1 :               0.02320592011637
                3s
                   +0 :               0.06929662195508
                4s
                   +0 :               0.00491437212100
                3p
                   -1 :               0.00341348623308
                   +0 :               0.02774658367118
                   +1 :               0.05299386257487
                4p
                   -1 :               0.00322937219446
                   +0 :               0.00729407844977
                   +1 :               0.01145638497612
                3d
                   -2 :               0.01124956416349
                   -1 :               0.00592229834344
                   +0 :               0.00082957987639
                   +1 :               0.03649495728304
                   +2 :               0.03426794609809
              2 vec=    -5.186775     -2.752324      1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00325369788638
                2p
                   -1 :              -0.00112005795488
                   +0 :              -0.00005321219897
                   +1 :              -0.00299018799311
                3s
                   +0 :              -0.00840005666050
                4s
                   +0 :               0.00471619120129
                3p
                   -1 :               0.00368832236656
                   +0 :               0.00147185694658
                   +1 :               0.00917199753684
                4p
                   -1 :              -0.00083308400038
                   +0 :              -0.00041864382506
                   +1 :              -0.00393398003179
                3d
                   -2 :              -0.00191525945871
                   -1 :               0.00049015441642
                   +0 :               0.00139132495298
                   +1 :               0.00017618355138
                   +2 :               0.00232816652920
              3 vec=     2.593388     -7.244203      1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00022502043249
                2p
                   -1 :              -0.00047601516135
                   +0 :              -0.00022426545940
                   +1 :               0.00060200360046
                3s
                   +0 :              -0.01277688157873
                4s
                   +0 :               0.00032287414402
                3p
                   -1 :               0.00674470850459
                   +0 :              -0.00766012129599
                   +1 :               0.00281303995324
                4p
                   -1 :              -0.00011193004728
                   +0 :               0.00013808506309
                   +1 :               0.00034618696851
                3d
                   -2 :              -0.00279246120967
                   -1 :               0.00301729010633
                   +0 :              -0.00117745326345
                   +1 :               0.00109361026772
                   +2 :               0.00172200480169
              4 vec=    -5.186775      6.231434      1.580453   |vec|=    8.260220
                2s
                   +0 :              -0.00023983209747
                2p
                   -1 :               0.00095513639171
                   +0 :              -0.00007298342337
                   +1 :              -0.00007506630984
                3s
                   +0 :               0.00755388450524
                4s
                   +0 :              -0.00063090713232
                3p
                   -1 :              -0.00685244060379
                   +0 :               0.00609045664914
                   +1 :              -0.00501487841350
                4p
                   -1 :               0.00124975010298
                   +0 :              -0.00062619223937
                   +1 :               0.00006916354083
                3d
                   -2 :               0.00194614348536
                   -1 :              -0.00067090411351
                   +0 :               0.00090662849476
                   +1 :              -0.00342259604203
                   +2 :               0.00231401474821
              5 vec=    10.373550     -2.752324      1.580453   |vec|=   10.848210
                2s
                   +0 :              -0.00000491738427
                2p
                   -1 :               0.00010361785213
                   +0 :               0.00015168425569
                   +1 :              -0.00013615181422
                3s
                   +0 :              -0.00137563397246
                4s
                   +0 :               0.00009779283187
                3p
                   -1 :              -0.00109418977416
                   +0 :              -0.00112627872774
                   +1 :              -0.00032079704247
                4p
                   -1 :               0.00003136003572
                   +0 :               0.00006596198403
                   +1 :              -0.00004250833492
                3d
                   -2 :              -0.00022977462311
                   -1 :              -0.00030803544998
                   +0 :               0.00002364937784
                   +1 :              -0.00026686737235
                   +2 :               0.00043728543467
              6 vec=     2.593388     10.723313      1.580453   |vec|=   11.145086
                2s
                   +0 :              -0.00034406592015
                2p
                   -1 :              -0.00022548508612
                   +0 :              -0.00007399480842
                   +1 :               0.00015122388113
                3s
                   +0 :               0.00295416542912
                4s
                   +0 :              -0.00087725946088
                3p
                   -1 :               0.00260267049893
                   +0 :               0.00125492643047
                   +1 :              -0.00006292902573
                4p
                   -1 :              -0.00061709194952
                   +0 :              -0.00024930688777
                   +1 :               0.00019599093064
                3d
                   -2 :              -0.00027818546559
                   -1 :               0.00046890600084
                   +0 :              -0.00017801075694
                   +1 :               0.00017501961271
                   +2 :              -0.00058378323507
              7 vec=    10.373550      6.231434      1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00038766864890
                2p
                   -1 :              -0.00009839699619
                   +0 :              -0.00010113233034
                   +1 :              -0.00019467765207
                3s
                   +0 :               0.00117502807376
                4s
                   +0 :              -0.00026468258390
                3p
                   -1 :               0.00069110461776
                   +0 :               0.00045688678220
                   +1 :               0.00080229955643
                4p
                   -1 :              -0.00018639975683
                   +0 :              -0.00001833801430
                   +1 :              -0.00017509830637
                3d
                   -2 :               0.00027630720580
                   -1 :               0.00007503878996
                   +0 :              -0.00006322110332
                   +1 :               0.00006376006686
                   +2 :              -0.00013970361163
              8 vec=    -5.186775    -11.736082      1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00007487816658
                2p
                   -1 :               0.00022263587892
                   +0 :              -0.00006817368909
                   +1 :               0.00006002583434
                3s
                   +0 :              -0.00196680995231
                4s
                   +0 :               0.00016895946710
                3p
                   -1 :               0.00020036297127
                   +0 :              -0.00118111299553
                   +1 :              -0.00109517513217
                4p
                   -1 :               0.00020460924519
                   +0 :               0.00008806185902
                   +1 :               0.00003460772497
                3d
                   -2 :               0.00051276302764
                   -1 :               0.00055311757182
                   +0 :              -0.00017064452286
                   +1 :              -0.00033824214792
                   +2 :              -0.00005259494581
              9 vec=   -12.966938      1.739555      1.580453   |vec|=   13.178215
                2s
                   +0 :              -0.00019097028266
                2p
                   -1 :               0.00006713127147
                   +0 :              -0.00008947254245
                   +1 :               0.00004009834122
                3s
                   +0 :               0.00094598738849
                4s
                   +0 :              -0.00007607550280
                3p
                   -1 :              -0.00009686203079
                   +0 :               0.00085875502230
                   +1 :              -0.00037305822652
                4p
                   -1 :               0.00008241908503
                   +0 :              -0.00017939973944
                   +1 :              -0.00005718750962
                3d
                   -2 :              -0.00007898129773
                   -1 :               0.00019422157195
                   +0 :               0.00009905679031
                   +1 :              -0.00029317745632
                   +2 :              -0.00001441840501
             10 vec=   -12.966938     -7.244203      1.580453   |vec|=   14.937128
                2s
                   +0 :               0.00007804692907
                2p
                   -1 :              -0.00005018640684
                   +0 :               0.00001595508637
                   +1 :              -0.00003035232591
                3s
                   +0 :              -0.00062648546063
                4s
                   +0 :               0.00024616059628
                3p
                   -1 :               0.00021097023738
                   +0 :              -0.00020072216249
                   +1 :               0.00046698315200
                4p
                   -1 :              -0.00010655618105
                   +0 :               0.00001172856081
                   +1 :              -0.00014445091820
                3d
                   -2 :              -0.00004782859199
                   -1 :              -0.00003925737275
                   +0 :               0.00000448909303
                   +1 :               0.00008085237134
                   +2 :              -0.00000953234912
             11 vec=    10.373550    -11.736082      1.580453   |vec|=   15.743062
                2s
                   +0 :               0.00018236099186
                2p
                   -1 :              -0.00008770016859
                   +0 :               0.00003097348516
                   +1 :               0.00005644072674
                3s
                   +0 :              -0.00065972058739
                4s
                   +0 :               0.00022731433285
                3p
                   -1 :               0.00039337073690
                   +0 :              -0.00019624986483
                   +1 :              -0.00040002230892
                4p
                   -1 :              -0.00007360450767
                   +0 :               0.00006698920223
                   +1 :               0.00010259643017
                3d
                   -2 :               0.00011299462207
                   -1 :               0.00004762266104
                   +0 :               0.00007532211038
                   +1 :              -0.00006012442714
                   +2 :              -0.00006389283421
             12 vec=    -5.186775     15.215192      1.580453   |vec|=   16.152478
                2s
                   +0 :              -0.00008138075019
                2p
                   -1 :               0.00001344285866
                   +0 :               0.00001616081926
                   +1 :               0.00002780433628
                3s
                   +0 :               0.00031881922457
                4s
                   +0 :               0.00002150929288
                3p
                   -1 :              -0.00021032086156
                   +0 :              -0.00002961297701
                   +1 :              -0.00016684405637
                4p
                   -1 :               0.00012551446342
                   +0 :               0.00001817458277
                   +1 :               0.00004097640341
                3d
                   -2 :              -0.00004950344215
                   -1 :              -0.00001345832060
                   +0 :              -0.00000994524673
                   +1 :              -0.00005748375028
                   +2 :               0.00005568514250
             13 vec=     2.593388    -16.227961      1.580453   |vec|=   16.509700
                2s
                   +0 :               0.00008689298481
                2p
                   -1 :              -0.00003625209130
                   +0 :               0.00002870938500
                   +1 :              -0.00001882298454
                3s
                   +0 :              -0.00044469146461
                4s
                   +0 :               0.00007182706989
                3p
                   -1 :               0.00020162731202
                   +0 :              -0.00022307986772
                   +1 :               0.00013589972365
                4p
                   -1 :              -0.00003383954613
                   +0 :               0.00002198085162
                   +1 :              -0.00002108280383
                3d
                   -2 :              -0.00001777237361
                   -1 :               0.00008081570284
                   +0 :              -0.00002100420324
                   +1 :               0.00004863455380
                   +2 :               0.00002260113626
             14 vec=   -12.966938     10.723313      1.580453   |vec|=   16.900555
                2s
                   +0 :               0.00001894605498
                2p
                   -1 :              -0.00001836629397
                   +0 :               0.00001707519078
                   +1 :              -0.00001127291711
                3s
                   +0 :               0.00012617104091
                4s
                   +0 :              -0.00006031661827
                3p
                   -1 :               0.00019586259732
                   +0 :              -0.00000940118103
                   +1 :              -0.00004341920458
                4p
                   -1 :              -0.00003893365603
                   +0 :               0.00001242526858
                   +1 :               0.00004491651043
                3d
                   -2 :              -0.00002374902271
                   -1 :               0.00002836454599
                   +0 :              -0.00000167360018
                   +1 :               0.00001206716985
                   +2 :              -0.00001445902096
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al(  7)  npairs=  15
              1 vec=     2.593388      1.739555    -10.693319   |vec|=   11.139963
                2s
                   +0 :               0.00022349488497
                2p
                   -1 :               0.00011387997826
                   +0 :              -0.00011683224052
                   +1 :               0.00021336976047
                3s
                   +0 :              -0.00050869467925
                4s
                   +0 :               0.00017812319022
                3p
                   -1 :              -0.00104930177041
                   +0 :               0.00071499528000
                   +1 :              -0.00097094060634
                4p
                   -1 :               0.00017213962599
                   +0 :              -0.00029151051844
                   +1 :               0.00023998458517
                3d
                   -2 :               0.00015917238603
                   -1 :               0.00011469976103
                   +0 :              -0.00001019333678
                   +1 :               0.00023181764572
                   +2 :              -0.00005714858357
              2 vec=    -5.186775     -2.752324    -10.693319   |vec|=   12.199385
                2s
                   +0 :              -0.00038467163544
                2p
                   -1 :              -0.00007498142096
                   +0 :               0.00014207663588
                   +1 :               0.00024869543700
                3s
                   +0 :               0.00077527290032
                4s
                   +0 :              -0.00007286884308
                3p
                   -1 :               0.00057486263164
                   +0 :              -0.00047524177415
                   +1 :              -0.00115786658746
                4p
                   -1 :              -0.00001079021680
                   +0 :              -0.00000916501090
                   +1 :               0.00012552708129
                3d
                   -2 :               0.00005146865120
                   -1 :              -0.00019237642466
                   +0 :               0.00003526725604
                   +1 :               0.00031823350839
                   +2 :               0.00023681663509
              3 vec=     2.593388     -7.244203    -10.693319   |vec|=   13.173883
                2s
                   +0 :               0.00033071240092
                2p
                   -1 :              -0.00010140019121
                   +0 :              -0.00012656420882
                   +1 :               0.00018380204966
                3s
                   +0 :              -0.00129255130309
                4s
                   +0 :               0.00023480533085
                3p
                   -1 :               0.00049612725207
                   +0 :               0.00075696263999
                   +1 :              -0.00108528395773
                4p
                   -1 :               0.00003057145156
                   +0 :              -0.00008925227552
                   +1 :               0.00032445504342
                3d
                   -2 :               0.00020445854664
                   -1 :              -0.00016406147100
                   +0 :              -0.00009656352234
                   +1 :               0.00022230104141
                   +2 :              -0.00002305372053
              4 vec=    -5.186775      6.231434    -10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00012923825449
                2p
                   -1 :              -0.00001912264278
                   +0 :              -0.00013319298736
                   +1 :              -0.00003054156765
                3s
                   +0 :               0.00119007754934
                4s
                   +0 :              -0.00016966768366
                3p
                   -1 :               0.00085849251398
                   +0 :              -0.00055070614852
                   +1 :              -0.00071862518600
                4p
                   -1 :              -0.00021530579821
                   +0 :               0.00003104938996
                   +1 :              -0.00002083014542
                3d
                   -2 :              -0.00030525874916
                   -1 :              -0.00011347985528
                   +0 :               0.00009483875206
                   +1 :               0.00030643999050
                   +2 :               0.00005977432284
              5 vec=     2.593388      1.739555     13.854224   |vec|=   14.201804
                2s
                   +0 :               0.00007265983609
                2p
                   -1 :               0.00003953479083
                   +0 :               0.00004034039497
                   +1 :               0.00000657513839
                3s
                   +0 :              -0.00020773201243
                4s
                   +0 :               0.00004761203088
                3p
                   -1 :              -0.00015205216875
                   +0 :              -0.00022141329350
                   +1 :               0.00000906425701
                4p
                   -1 :              -0.00001393857924
                   +0 :               0.00006263578432
                   +1 :              -0.00002535169660
                3d
                   -2 :              -0.00001967662715
                   -1 :               0.00001059812181
                   +0 :              -0.00001632739119
                   +1 :              -0.00002235864894
                   +2 :               0.00003672788490
              6 vec=    -5.186775     -2.752324     13.854224   |vec|=   15.047174
                2s
                   +0 :              -0.00004019856034
                2p
                   -1 :               0.00004654853428
                   +0 :               0.00003070245344
                   +1 :               0.00006460573595
                3s
                   +0 :               0.00008799294998
                4s
                   +0 :               0.00004932476601
                3p
                   -1 :              -0.00021422326165
                   +0 :              -0.00017914022007
                   +1 :              -0.00032172581531
                4p
                   -1 :               0.00001570871289
                   +0 :               0.00008697130673
                   +1 :               0.00003292387838
                3d
                   -2 :               0.00006138857006
                   -1 :               0.00000444449888
                   +0 :              -0.00002505768165
                   +1 :               0.00000742931132
                   +2 :               0.00005420034031
              7 vec=    10.373550     -2.752324    -10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00006998533429
                2p
                   -1 :              -0.00006346441753
                   +0 :              -0.00003089899829
                   +1 :               0.00002841063582
                3s
                   +0 :              -0.00057376571435
                4s
                   +0 :               0.00019941342824
                3p
                   -1 :               0.00028061652690
                   +0 :               0.00034049981976
                   +1 :              -0.00035112075264
                4p
                   -1 :              -0.00010814502026
                   +0 :              -0.00007879460559
                   +1 :               0.00009193959026
                3d
                   -2 :               0.00002622300829
                   -1 :              -0.00003010708858
                   +0 :              -0.00006991204310
                   +1 :               0.00007672499243
                   +2 :              -0.00007711329141
              8 vec=     2.593388     10.723313    -10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00003898013885
                2p
                   -1 :               0.00002347338336
                   +0 :              -0.00005067391026
                   +1 :              -0.00000863009123
                3s
                   +0 :               0.00005090510941
                4s
                   +0 :               0.00004461574430
                3p
                   -1 :              -0.00008994700286
                   +0 :               0.00021602682074
                   +1 :               0.00020661691979
                4p
                   -1 :               0.00003009307683
                   +0 :              -0.00007972166817
                   +1 :              -0.00003646123912
                3d
                   -2 :               0.00004008191571
                   -1 :               0.00003658445032
                   +0 :               0.00000567028238
                   +1 :              -0.00003007793347
                   +2 :               0.00004386672518
              9 vec=     2.593388     -7.244203     13.854224   |vec|=   15.847513
                2s
                   +0 :              -0.00002716073723
                2p
                   -1 :               0.00002915043130
                   +0 :              -0.00000880137043
                   +1 :              -0.00000358752910
                3s
                   +0 :              -0.00001333525383
                4s
                   +0 :              -0.00001851196958
                3p
                   -1 :              -0.00006245499646
                   +0 :               0.00000575086426
                   +1 :              -0.00005398763679
                4p
                   -1 :               0.00000079663762
                   +0 :              -0.00000697249167
                   +1 :              -0.00001851373465
                3d
                   -2 :               0.00001924391742
                   -1 :               0.00001478455612
                   +0 :              -0.00000251638368
                   +1 :              -0.00001239955255
                   +2 :              -0.00003658886010
             10 vec=    -5.186775      6.231434     13.854224   |vec|=   16.052194
                2s
                   +0 :              -0.00002627410272
                2p
                   -1 :              -0.00000793504629
                   +0 :               0.00001051030066
                   +1 :               0.00001331572541
                3s
                   +0 :               0.00000361017250
                4s
                   +0 :              -0.00001460396347
                3p
                   -1 :              -0.00011247816037
                   +0 :              -0.00008279394390
                   +1 :              -0.00005172964883
                4p
                   -1 :               0.00003285933829
                   +0 :               0.00002545422715
                   +1 :              -0.00000894276303
                3d
                   -2 :              -0.00002395800894
                   -1 :              -0.00001079493929
                   +0 :               0.00002076665523
                   +1 :              -0.00002587151996
                   +2 :              -0.00003089705968
             11 vec=    10.373550      6.231434    -10.693319   |vec|=   16.148943
                2s
                   +0 :               0.00012456381155
                2p
                   -1 :               0.00004915516178
                   +0 :              -0.00003016023615
                   +1 :               0.00003683154982
                3s
                   +0 :              -0.00036661525331
                4s
                   +0 :               0.00010918028330
                3p
                   -1 :              -0.00021523839647
                   +0 :               0.00011859023662
                   +1 :              -0.00015498555272
                4p
                   -1 :               0.00004973569325
                   +0 :              -0.00002661329640
                   +1 :               0.00002170807945
                3d
                   -2 :              -0.00002812291901
                   -1 :               0.00002580288168
                   +0 :               0.00000701768209
                   +1 :               0.00002237659718
                   +2 :               0.00001292516728
             12 vec=    -5.186775    -11.736082    -10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00005134397736
                2p
                   -1 :               0.00003286347984
                   +0 :               0.00006485425104
                   +1 :               0.00002551162587
                3s
                   +0 :               0.00012478039066
                4s
                   +0 :              -0.00013931931682
                3p
                   -1 :              -0.00011974981353
                   +0 :              -0.00029054236282
                   +1 :              -0.00016533702712
                4p
                   -1 :               0.00006371753797
                   +0 :               0.00011628483073
                   +1 :               0.00005359380274
                3d
                   -2 :               0.00007158782914
                   -1 :               0.00002996252262
                   +0 :               0.00008420438613
                   +1 :               0.00003550010212
                   +2 :               0.00007023763376
             13 vec=   -12.966938      1.739555    -10.693319   |vec|=   16.897177
                2s
                   +0 :               0.00000887039545
                2p
                   -1 :              -0.00002018790300
                   +0 :              -0.00000528595602
                   +1 :              -0.00004209684981
                3s
                   +0 :              -0.00000140672521
                4s
                   +0 :               0.00001105327965
                3p
                   -1 :               0.00015401287902
                   +0 :               0.00001726357958
                   +1 :               0.00025042138537
                4p
                   -1 :              -0.00006563776528
                   +0 :              -0.00000565388981
                   +1 :              -0.00009728595579
                3d
                   -2 :              -0.00003466723057
                   -1 :               0.00001261368959
                   +0 :               0.00002379709206
                   +1 :              -0.00003410441353
                   +2 :              -0.00006234834891
             14 vec=    10.373550     -2.752324     13.854224   |vec|=   17.524992
                2s
                   +0 :              -0.00001654602933
                2p
                   -1 :               0.00001562856846
                   +0 :               0.00000163413578
                   +1 :              -0.00001204319424
                3s
                   +0 :               0.00001935469182
                4s
                   +0 :              -0.00001880308822
                3p
                   -1 :              -0.00003940243771
                   +0 :               0.00000532616472
                   +1 :               0.00002572719854
                4p
                   -1 :               0.00001070170194
                   +0 :               0.00000203370971
                   +1 :              -0.00001257421648
                3d
                   -2 :               0.00000870361957
                   -1 :              -0.00000682415556
                   +0 :               0.00001650029253
                   +1 :               0.00000510636379
                   +2 :              -0.00001110451689
             15 vec=     2.593388     10.723313     13.854224   |vec|=   17.710297
                2s
                   +0 :               0.00000495731730
                2p
                   -1 :              -0.00000077778874
                   +0 :               0.00001539981346
                   +1 :               0.00000796737968
                3s
                   +0 :               0.00011384243509
                4s
                   +0 :              -0.00000996571355
                3p
                   -1 :               0.00013052595292
                   +0 :              -0.00004949201699
                   +1 :              -0.00003189233999
                4p
                   -1 :              -0.00000703032158
                   +0 :               0.00001149943883
                   +1 :               0.00002532261445
                3d
                   -2 :               0.00001950333539
                   -1 :              -0.00000737350148
                   +0 :              -0.00003202274120
                   +1 :               0.00000696808199
                   +2 :              -0.00001736517441
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al(  8)  npairs=  13
              1 vec=     2.593388      1.739555      6.601898   |vec|=    7.303202
                2s
                   +0 :              -0.00320751588918
                2p
                   -1 :              -0.00005984538687
                   +0 :              -0.00163467256376
                   +1 :              -0.00082004152009
                3s
                   +0 :               0.01029312710217
                4s
                   +0 :              -0.00400721248815
                3p
                   -1 :              -0.00452849427418
                   +0 :               0.00509115200069
                   +1 :               0.00649463139292
                4p
                   -1 :               0.00026793633650
                   +0 :              -0.00177381464683
                   +1 :              -0.00102591702871
                3d
                   -2 :              -0.00085760578148
                   -1 :              -0.00154533925549
                   +0 :              -0.00029004665048
                   +1 :               0.00065915963102
                   +2 :               0.00047720567500
              2 vec=    -5.186775     -2.752324      6.601898   |vec|=    8.835326
                2s
                   +0 :               0.00041050083699
                2p
                   -1 :              -0.00041397962354
                   +0 :               0.00016256072865
                   +1 :               0.00056410300916
                3s
                   +0 :              -0.00445863461964
                4s
                   +0 :              -0.00062133834069
                3p
                   -1 :               0.00317800699023
                   +0 :              -0.00306402411095
                   +1 :              -0.00153592371218
                4p
                   -1 :              -0.00055643999224
                   +0 :              -0.00025399392258
                   +1 :               0.00161181250308
                3d
                   -2 :              -0.00097563927928
                   -1 :               0.00097146916008
                   +0 :              -0.00016330352064
                   +1 :               0.00051129854811
                   +2 :               0.00137943887595
              3 vec=     2.593388     -7.244203      6.601898   |vec|=   10.138500
                2s
                   +0 :               0.00070445432645
                2p
                   -1 :              -0.00080374181092
                   +0 :               0.00008610482263
                   +1 :               0.00000613531844
                3s
                   +0 :              -0.00442845417597
                4s
                   +0 :               0.00194033424986
                3p
                   -1 :               0.00519660494072
                   +0 :              -0.00140933237628
                   +1 :               0.00002463535179
                4p
                   -1 :              -0.00158932326353
                   +0 :               0.00062439211974
                   +1 :               0.00042260948233
                3d
                   -2 :               0.00058565645797
                   -1 :               0.00076510266985
                   +0 :               0.00010820084870
                   +1 :               0.00027977182885
                   +2 :               0.00082860598797
              4 vec=    -5.186775      6.231434      6.601898   |vec|=   10.455547
                2s
                   +0 :              -0.00120787880147
                2p
                   -1 :              -0.00034076789753
                   +0 :              -0.00040230656256
                   +1 :               0.00005378980768
                3s
                   +0 :               0.00483239343761
                4s
                   +0 :              -0.00152350791360
                3p
                   -1 :               0.00161558479206
                   +0 :               0.00216472033664
                   +1 :              -0.00057126063709
                4p
                   -1 :              -0.00040685833245
                   +0 :              -0.00061025796201
                   +1 :              -0.00004439018352
                3d
                   -2 :              -0.00014458893292
                   -1 :              -0.00005583643289
                   +0 :               0.00048912156469
                   +1 :              -0.00021893369086
                   +2 :              -0.00035128092645
              5 vec=    10.373550     -2.752324      6.601898   |vec|=   12.600432
                2s
                   +0 :              -0.00043349273786
                2p
                   -1 :               0.00013942777683
                   +0 :              -0.00018874950272
                   +1 :              -0.00000861545434
                3s
                   +0 :               0.00191632296591
                4s
                   +0 :              -0.00061592303466
                3p
                   -1 :              -0.00089302543718
                   +0 :               0.00119018743555
                   +1 :               0.00016623463127
                4p
                   -1 :               0.00025683519931
                   +0 :              -0.00029939747036
                   +1 :               0.00005200413053
                3d
                   -2 :              -0.00008247342747
                   -1 :              -0.00023308460795
                   +0 :               0.00027598273524
                   +1 :               0.00022700881241
                   +2 :              -0.00005581007760
              6 vec=     2.593388     10.723313      6.601898   |vec|=   12.856911
                2s
                   +0 :              -0.00018980442223
                2p
                   -1 :               0.00004064823549
                   +0 :              -0.00006289652263
                   +1 :              -0.00002084978773
                3s
                   +0 :               0.00183792808876
                4s
                   +0 :              -0.00047211006484
                3p
                   -1 :               0.00054371700080
                   +0 :               0.00108980356778
                   +1 :              -0.00006164859643
                4p
                   -1 :              -0.00008781277906
                   +0 :              -0.00024091165925
                   +1 :               0.00003120852487
                3d
                   -2 :               0.00010298555971
                   -1 :               0.00028392752822
                   +0 :               0.00014568901321
                   +1 :              -0.00000655320543
                   +2 :              -0.00013615672434
              7 vec=    10.373550      6.231434      6.601898   |vec|=   13.785005
                2s
                   +0 :              -0.00003481340348
                2p
                   -1 :              -0.00003451131196
                   +0 :              -0.00002436658309
                   +1 :              -0.00002979634389
                3s
                   +0 :               0.00039032441944
                4s
                   +0 :              -0.00019007758816
                3p
                   -1 :               0.00027700142161
                   +0 :               0.00015455165517
                   +1 :               0.00033287194486
                4p
                   -1 :              -0.00011188731767
                   +0 :              -0.00008884770171
                   +1 :              -0.00011530111297
                3d
                   -2 :               0.00005513990383
                   -1 :              -0.00013319824865
                   +0 :              -0.00004803251977
                   +1 :               0.00009176763020
                   +2 :               0.00002569939507
              8 vec=    -5.186775    -11.736082      6.601898   |vec|=   14.429945
                2s
                   +0 :               0.00024571813105
                2p
                   -1 :              -0.00005148071905
                   +0 :               0.00009855457408
                   +1 :              -0.00004516771247
                3s
                   +0 :              -0.00095032029241
                4s
                   +0 :               0.00018168110701
                3p
                   -1 :               0.00015676719086
                   +0 :              -0.00054428784218
                   +1 :               0.00021753288178
                4p
                   -1 :               0.00008547786117
                   +0 :               0.00008378517863
                   +1 :              -0.00001226843645
                3d
                   -2 :              -0.00007429292929
                   -1 :               0.00001670912178
                   +0 :              -0.00007078230713
                   +1 :               0.00002904060925
                   +2 :               0.00000388887065
              9 vec=   -12.966938      1.739555      6.601898   |vec|=   14.654439
                2s
                   +0 :               0.00004042790472
                2p
                   -1 :              -0.00001955433383
                   +0 :               0.00002276144272
                   +1 :              -0.00000671080967
                3s
                   +0 :              -0.00007748760556
                4s
                   +0 :               0.00004262476064
                3p
                   -1 :               0.00008304361774
                   +0 :              -0.00003687016827
                   +1 :               0.00002239715472
                4p
                   -1 :              -0.00001061556283
                   +0 :              -0.00001177385372
                   +1 :              -0.00002205965340
                3d
                   -2 :              -0.00007797558545
                   -1 :              -0.00005628676545
                   +0 :               0.00007152131487
                   +1 :               0.00002642318117
                   +2 :               0.00002327570271
             10 vec=   -12.966938     -7.244203      6.601898   |vec|=   16.254384
                2s
                   +0 :               0.00002764054375
                2p
                   -1 :              -0.00002014468488
                   +0 :               0.00001166171255
                   +1 :               0.00001333174594
                3s
                   +0 :              -0.00009002020051
                4s
                   +0 :              -0.00000307194134
                3p
                   -1 :               0.00008911335527
                   +0 :              -0.00006951530942
                   +1 :              -0.00009187772020
                4p
                   -1 :              -0.00000522499379
                   +0 :              -0.00000662960991
                   +1 :               0.00004709851637
                3d
                   -2 :              -0.00003243028640
                   -1 :               0.00005863632073
                   +0 :              -0.00000371769654
                   +1 :               0.00001386890026
                   +2 :               0.00005215985592
             11 vec=    10.373550    -11.736082      6.601898   |vec|=   16.997977
                2s
                   +0 :               0.00010492338047
                2p
                   -1 :              -0.00001716515676
                   +0 :               0.00002843990037
                   +1 :              -0.00000509360309
                3s
                   +0 :              -0.00063949804799
                4s
                   +0 :               0.00016266708606
                3p
                   -1 :               0.00015583491586
                   +0 :              -0.00028784549269
                   +1 :              -0.00010917664232
                4p
                   -1 :              -0.00002222942102
                   +0 :               0.00005655661234
                   +1 :               0.00002075043469
                3d
                   -2 :               0.00004962163717
                   -1 :               0.00006575530656
                   +0 :              -0.00005265083592
                   +1 :              -0.00006105357330
                   +2 :               0.00003643392541
             12 vec=    -5.186775     15.215192      6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00001048418006
                2p
                   -1 :               0.00002717517238
                   +0 :              -0.00001274987767
                   +1 :              -0.00002825612113
                3s
                   +0 :               0.00025622653434
                4s
                   +0 :              -0.00006374413754
                3p
                   -1 :              -0.00002146740326
                   +0 :               0.00017190189273
                   +1 :               0.00012948604838
                4p
                   -1 :              -0.00000671618990
                   +0 :              -0.00003311550035
                   +1 :              -0.00002537494065
                3d
                   -2 :               0.00004908415652
                   -1 :               0.00002575420529
                   +0 :               0.00001374702578
                   +1 :               0.00002594058517
                   +2 :              -0.00000992740907
             13 vec=     2.593388    -16.227961      6.601898   |vec|=   17.710376
                2s
                   +0 :               0.00007230455461
                2p
                   -1 :              -0.00002923465179
                   +0 :              -0.00000277742613
                   +1 :              -0.00002367947137
                3s
                   +0 :              -0.00036376609946
                4s
                   +0 :               0.00011210618284
                3p
                   -1 :               0.00018760691695
                   +0 :              -0.00001179627585
                   +1 :               0.00011547412223
                4p
                   -1 :              -0.00004370270685
                   +0 :               0.00001419923250
                   +1 :              -0.00003512531941
                3d
                   -2 :               0.00000330933445
                   -1 :              -0.00002821832217
                   +0 :              -0.00001090096516
                   +1 :               0.00002289711993
                   +2 :               0.00002421313888
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al(  9)  npairs=  14
              1 vec=     0.000000     -2.752324      2.510804   |vec|=    3.725510
                2s
                   +0 :              -0.02276121426871
                2p
                   -1 :               0.02401945329017
                   +0 :              -0.02153699343139
                   +1 :              -0.00199978916288
                3s
                   +0 :              -0.06797661781883
                4s
                   +0 :              -0.00872372020850
                3p
                   -1 :               0.02724610125403
                   +0 :              -0.06220662753404
                   +1 :               0.01195280053664
                4p
                   -1 :               0.01283106022621
                   +0 :              -0.00838950342373
                   +1 :              -0.00460564528324
                3d
                   -2 :              -0.00143453222333
                   -1 :               0.04361258079818
                   +0 :              -0.02327998229837
                   +1 :               0.00025833466982
                   +2 :               0.01573143887657
              2 vec=     0.000000      6.231434      2.510804   |vec|=    6.718252
                2s
                   +0 :              -0.00227445208057
                2p
                   -1 :              -0.00185236867465
                   +0 :              -0.00106258246263
                   +1 :               0.00096663097192
                3s
                   +0 :               0.00242318149726
                4s
                   +0 :              -0.00495116659829
                3p
                   -1 :               0.00071321171216
                   +0 :               0.00048294765676
                   +1 :              -0.00594416403946
                4p
                   -1 :              -0.00302481098068
                   +0 :              -0.00125419868179
                   +1 :               0.00144898221626
                3d
                   -2 :              -0.00090388171435
                   -1 :               0.00057203641114
                   +0 :               0.00035860712497
                   +1 :               0.00007368890707
                   +2 :               0.00042234751272
              3 vec=    -7.780163      1.739555      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00070805430106
                2p
                   -1 :              -0.00029663910755
                   +0 :              -0.00027347596021
                   +1 :              -0.00072895958654
                3s
                   +0 :              -0.00203654697845
                4s
                   +0 :               0.00054837770025
                3p
                   -1 :               0.00065575282246
                   +0 :               0.00185509175327
                   +1 :               0.00407511576130
                4p
                   -1 :               0.00029459310885
                   +0 :              -0.00040570409274
                   +1 :              -0.00089883608088
                3d
                   -2 :              -0.00042471378700
                   -1 :               0.00048229684196
                   +0 :               0.00105004138806
                   +1 :               0.00004355598047
                   +2 :              -0.00137434441385
              4 vec=     7.780163      1.739555      2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00023123906728
                2p
                   -1 :              -0.00056790831880
                   +0 :              -0.00000129936020
                   +1 :              -0.00003157331220
                3s
                   +0 :              -0.00187251436214
                4s
                   +0 :               0.00262173623347
                3p
                   -1 :               0.00391311622747
                   +0 :              -0.00003177885156
                   +1 :              -0.00333841991806
                4p
                   -1 :              -0.00108960833094
                   +0 :               0.00044634570942
                   +1 :               0.00237532865246
                3d
                   -2 :               0.00052044295405
                   -1 :               0.00027069697911
                   +0 :               0.00064704102631
                   +1 :              -0.00101142028255
                   +2 :              -0.00075206285335
              5 vec=    -7.780163     -7.244203      2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00024409701229
                2p
                   -1 :               0.00002969805938
                   +0 :               0.00012794335182
                   +1 :              -0.00012641067357
                3s
                   +0 :               0.00029355447556
                4s
                   +0 :               0.00047886159180
                3p
                   -1 :               0.00012742761418
                   +0 :              -0.00056801829977
                   +1 :               0.00121553778714
                4p
                   -1 :              -0.00025217089258
                   +0 :               0.00036545644936
                   +1 :              -0.00062306838154
                3d
                   -2 :              -0.00032861430991
                   -1 :              -0.00024564403063
                   +0 :               0.00020050293457
                   +1 :               0.00036662936360
                   +2 :              -0.00015880798253
              6 vec=     7.780163     -7.244203      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00015288310438
                2p
                   -1 :              -0.00003637103010
                   +0 :               0.00004526609099
                   +1 :              -0.00006188123470
                3s
                   +0 :              -0.00060425500011
                4s
                   +0 :               0.00038705409852
                3p
                   -1 :              -0.00032543200235
                   +0 :               0.00017572383206
                   +1 :               0.00017678423286
                4p
                   -1 :               0.00001812234028
                   +0 :              -0.00004605307060
                   +1 :               0.00008248282020
                3d
                   -2 :              -0.00009317840877
                   -1 :              -0.00008477126789
                   +0 :               0.00015135613033
                   +1 :              -0.00015727303729
                   +2 :               0.00008379227835
              7 vec=     0.000000    -11.736082      2.510804   |vec|=   12.001657
                2s
                   +0 :              -0.00035624352991
                2p
                   -1 :               0.00013537354649
                   +0 :              -0.00020992541983
                   +1 :              -0.00010346498939
                3s
                   +0 :               0.00066620583998
                4s
                   +0 :              -0.00063042043950
                3p
                   -1 :              -0.00047442220443
                   +0 :               0.00013314074622
                   +1 :               0.00019922839221
                4p
                   -1 :               0.00034402929489
                   +0 :              -0.00013025827706
                   +1 :               0.00004089013803
                3d
                   -2 :              -0.00034699241189
                   -1 :               0.00010948284726
                   +0 :              -0.00015476403232
                   +1 :              -0.00001186176927
                   +2 :               0.00013603051219
              8 vec=    -7.780163     10.723313      2.510804   |vec|=   13.484232
                2s
                   +0 :              -0.00009659988274
                2p
                   -1 :               0.00006065241008
                   +0 :               0.00001612866807
                   +1 :               0.00010103450039
                3s
                   +0 :               0.00133988076455
                4s
                   +0 :              -0.00027576602779
                3p
                   -1 :              -0.00028938012589
                   +0 :               0.00079011516030
                   +1 :              -0.00119057319585
                4p
                   -1 :               0.00010854963234
                   +0 :              -0.00000664415259
                   +1 :               0.00026370025151
                3d
                   -2 :              -0.00011042831692
                   -1 :               0.00005929733295
                   +0 :               0.00027502874768
                   +1 :              -0.00028115775937
                   +2 :               0.00021542652941
              9 vec=     7.780163     10.723313      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00021181205689
                2p
                   -1 :              -0.00001954436122
                   +0 :               0.00018863338402
                   +1 :               0.00024797923585
                3s
                   +0 :               0.00013474595675
                4s
                   +0 :               0.00016465085812
                3p
                   -1 :               0.00040630617471
                   +0 :              -0.00004207985485
                   +1 :              -0.00071776534786
                4p
                   -1 :              -0.00016108579025
                   +0 :               0.00016488306149
                   +1 :               0.00026914856795
                3d
                   -2 :              -0.00004867087764
                   -1 :               0.00002158570353
                   +0 :               0.00019877707202
                   +1 :               0.00015728619995
                   +2 :              -0.00008504734473
             10 vec=     0.000000     15.215192      2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00001761385537
                2p
                   -1 :              -0.00000609302528
                   +0 :              -0.00001597988938
                   +1 :              -0.00002511698709
                3s
                   +0 :               0.00028634043141
                4s
                   +0 :              -0.00009662478969
                3p
                   -1 :               0.00014872196908
                   +0 :               0.00009117911367
                   +1 :               0.00006315603910
                4p
                   -1 :              -0.00007652348719
                   +0 :              -0.00001977120132
                   +1 :               0.00000750520990
                3d
                   -2 :              -0.00002162351751
                   -1 :               0.00003663212114
                   +0 :               0.00000124535519
                   +1 :               0.00003272776669
                   +2 :              -0.00000804942217
             11 vec=   -15.560325     -2.752324      2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00003726459392
                2p
                   -1 :              -0.00003466690727
                   +0 :              -0.00001642891320
                   +1 :               0.00005731356858
                3s
                   +0 :               0.00004507755313
                4s
                   +0 :              -0.00004623824134
                3p
                   -1 :               0.00014331399168
                   +0 :               0.00001108793172
                   +1 :              -0.00024046471296
                4p
                   -1 :              -0.00003253054254
                   +0 :              -0.00003736992702
                   +1 :               0.00006441638707
                3d
                   -2 :               0.00002002790586
                   -1 :              -0.00001105154995
                   +0 :              -0.00002557899285
                   +1 :               0.00001324986746
                   +2 :               0.00002914493394
             12 vec=    15.560325     -2.752324      2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00004628418486
                2p
                   -1 :              -0.00005190160193
                   +0 :              -0.00001046755959
                   +1 :              -0.00000427347262
                3s
                   +0 :              -0.00029299331246
                4s
                   +0 :               0.00004839355064
                3p
                   -1 :               0.00020998983177
                   +0 :              -0.00007192042282
                   +1 :              -0.00001373581758
                4p
                   -1 :              -0.00004304208141
                   +0 :               0.00001743567396
                   +1 :              -0.00001656181266
                3d
                   -2 :               0.00000931109800
                   -1 :              -0.00007932868952
                   +0 :              -0.00001760144490
                   +1 :              -0.00001359057998
                   +2 :               0.00002792067571
             13 vec=   -15.560325      6.231434      2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00001777484902
                2p
                   -1 :               0.00000398641462
                   +0 :               0.00000679363619
                   +1 :              -0.00000507972225
                3s
                   +0 :              -0.00005111939482
                4s
                   +0 :               0.00003109471023
                3p
                   -1 :              -0.00004037626551
                   +0 :              -0.00000528562091
                   +1 :               0.00001001446969
                4p
                   -1 :               0.00001026475034
                   +0 :               0.00001217695843
                   +1 :               0.00000085277667
                3d
                   -2 :              -0.00000316872484
                   -1 :              -0.00000646084548
                   +0 :              -0.00002164615637
                   +1 :              -0.00000738107430
                   +2 :               0.00000252188362
             14 vec=    15.560325      6.231434      2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00003839209618
                2p
                   -1 :              -0.00000712679908
                   +0 :               0.00000351243261
                   +1 :              -0.00001324976950
                3s
                   +0 :               0.00022302258717
                4s
                   +0 :              -0.00010316788048
                3p
                   -1 :               0.00005888035151
                   +0 :               0.00002286317309
                   +1 :               0.00013647033326
                4p
                   -1 :              -0.00002286802559
                   +0 :              -0.00001786185401
                   +1 :              -0.00006186574018
                3d
                   -2 :              -0.00001165305643
                   -1 :               0.00001345683016
                   +0 :              -0.00001005246201
                   +1 :              -0.00000114422003
                   +2 :               0.00002201624504
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al( 10)  npairs=  13
              1 vec=     0.000000     -2.752324      9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00031400546661
                2p
                   -1 :              -0.00024595327258
                   +0 :               0.00008569765692
                   +1 :               0.00025527079559
                3s
                   +0 :              -0.00049758458317
                4s
                   +0 :              -0.00001694128193
                3p
                   -1 :               0.00020029721065
                   +0 :               0.00000811136458
                   +1 :              -0.00111392637921
                4p
                   -1 :              -0.00011141753036
                   +0 :              -0.00005457316213
                   +1 :               0.00028542246587
                3d
                   -2 :               0.00011823260518
                   -1 :              -0.00017722802467
                   +0 :               0.00014495134188
                   +1 :               0.00008512070496
                   +2 :               0.00037394157872
              2 vec=     0.000000      6.231434      9.763130   |vec|=   11.582292
                2s
                   +0 :              -0.00006777783206
                2p
                   -1 :               0.00002404104005
                   +0 :              -0.00015655291601
                   +1 :               0.00015558151642
                3s
                   +0 :               0.00062343901172
                4s
                   +0 :              -0.00050366657741
                3p
                   -1 :               0.00001780823907
                   +0 :               0.00135038203904
                   +1 :              -0.00070686745844
                4p
                   -1 :              -0.00005658026860
                   +0 :              -0.00053619201061
                   +1 :               0.00000144583608
                3d
                   -2 :              -0.00027700735607
                   -1 :               0.00007285982038
                   +0 :               0.00041460942375
                   +1 :              -0.00024837200353
                   +2 :              -0.00007747004435
              3 vec=    -7.780163      1.739555      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00016823790061
                2p
                   -1 :               0.00003449692404
                   +0 :               0.00006100112106
                   +1 :              -0.00006207656644
                3s
                   +0 :              -0.00095607204042
                4s
                   +0 :               0.00008571144148
                3p
                   -1 :              -0.00022197084136
                   +0 :              -0.00040524450588
                   +1 :               0.00089202974499
                4p
                   -1 :              -0.00003792103214
                   +0 :               0.00003513346107
                   +1 :              -0.00009275075736
                3d
                   -2 :               0.00033232855466
                   -1 :              -0.00017661745997
                   +0 :               0.00009060789910
                   +1 :               0.00028636808447
                   +2 :              -0.00023301110790
              4 vec=     7.780163      1.739555      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00005707838715
                2p
                   -1 :               0.00000174609449
                   +0 :               0.00001877744131
                   +1 :               0.00001324724006
                3s
                   +0 :              -0.00071855360214
                4s
                   +0 :               0.00024189298717
                3p
                   -1 :              -0.00018695472897
                   +0 :              -0.00031267140784
                   +1 :              -0.00057576525027
                4p
                   -1 :              -0.00005972875274
                   +0 :               0.00015412142152
                   +1 :               0.00009016638453
                3d
                   -2 :              -0.00009809032479
                   -1 :              -0.00006080086682
                   +0 :               0.00011442045123
                   +1 :              -0.00013836788293
                   +2 :              -0.00009020717656
              5 vec=    -7.780163     -7.244203      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00017684456734
                2p
                   -1 :               0.00003345232948
                   +0 :              -0.00003686384228
                   +1 :              -0.00001243982775
                3s
                   +0 :               0.00041708408573
                4s
                   +0 :              -0.00001892581831
                3p
                   -1 :              -0.00010950104571
                   +0 :               0.00012051686326
                   +1 :               0.00014189929316
                4p
                   -1 :               0.00000111380130
                   +0 :               0.00000304711157
                   +1 :              -0.00009336424810
                3d
                   -2 :              -0.00010807766736
                   -1 :              -0.00004104802925
                   +0 :              -0.00007995225117
                   +1 :               0.00002378604579
                   +2 :              -0.00006573195070
              6 vec=     7.780163     -7.244203      9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00024866357762
                2p
                   -1 :               0.00003263382247
                   +0 :               0.00006865012810
                   +1 :               0.00008419583234
                3s
                   +0 :              -0.00106856989062
                4s
                   +0 :               0.00020247548614
                3p
                   -1 :              -0.00000272318459
                   +0 :              -0.00051532874356
                   +1 :              -0.00038385437557
                4p
                   -1 :               0.00003167517384
                   +0 :               0.00007044859162
                   +1 :               0.00006626933618
                3d
                   -2 :              -0.00008676767163
                   -1 :               0.00007389403459
                   +0 :              -0.00002503568624
                   +1 :              -0.00001428197255
                   +2 :               0.00006869109286
              7 vec=     0.000000     -2.752324    -14.784412   |vec|=   15.038422
                2s
                   +0 :              -0.00005650988270
                2p
                   -1 :              -0.00001917550254
                   +0 :               0.00001648345404
                   +1 :               0.00001646813357
                3s
                   +0 :               0.00007162460887
                4s
                   +0 :              -0.00001538179444
                3p
                   -1 :               0.00003794550133
                   +0 :               0.00003060836331
                   +1 :              -0.00004605845937
                4p
                   -1 :               0.00001021310652
                   +0 :              -0.00000849877543
                   +1 :              -0.00002885581304
                3d
                   -2 :               0.00011541467442
                   -1 :              -0.00003589724250
                   +0 :              -0.00003764642543
                   +1 :              -0.00002196264079
                   +2 :               0.00005207043956
              8 vec=     0.000000    -11.736082      9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00026223752677
                2p
                   -1 :               0.00016539069085
                   +0 :              -0.00010704826217
                   +1 :              -0.00000808955981
                3s
                   +0 :               0.00076426590218
                4s
                   +0 :              -0.00016689906521
                3p
                   -1 :              -0.00083956791332
                   +0 :               0.00040312755336
                   +1 :               0.00012785523642
                4p
                   -1 :               0.00013857211344
                   +0 :              -0.00003328099202
                   +1 :              -0.00006712930358
                3d
                   -2 :               0.00001650046043
                   -1 :              -0.00018364413493
                   +0 :              -0.00001603151268
                   +1 :              -0.00000168168083
                   +2 :              -0.00018042852252
              9 vec=     0.000000      6.231434    -14.784412   |vec|=   16.043990
                2s
                   +0 :              -0.00009103860290
                2p
                   -1 :              -0.00002453278090
                   +0 :               0.00003023436791
                   +1 :               0.00001566858141
                3s
                   +0 :               0.00037460042366
                4s
                   +0 :              -0.00011454859560
                3p
                   -1 :              -0.00000212598888
                   +0 :              -0.00017723309131
                   +1 :              -0.00007985468550
                4p
                   -1 :              -0.00001335601616
                   +0 :               0.00003303214293
                   +1 :               0.00003063711710
                3d
                   -2 :              -0.00000662816797
                   -1 :               0.00000704684011
                   +0 :               0.00000048223921
                   +1 :               0.00000677271089
                   +2 :              -0.00001108978196
             10 vec=    -7.780163     10.723313      9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00000075913536
                2p
                   -1 :              -0.00000090340917
                   +0 :              -0.00000539747750
                   +1 :              -0.00001187850250
                3s
                   +0 :               0.00016614547258
                4s
                   +0 :              -0.00003149278607
                3p
                   -1 :               0.00005618092213
                   +0 :               0.00007792803751
                   +1 :              -0.00002616857531
                4p
                   -1 :              -0.00000931157447
                   +0 :              -0.00001965804723
                   +1 :               0.00001605494304
                3d
                   -2 :              -0.00000831212577
                   -1 :              -0.00000243042149
                   +0 :              -0.00000247191092
                   +1 :              -0.00001231374476
                   +2 :               0.00002576961324
             11 vec=     7.780163     10.723313      9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00001712907786
                2p
                   -1 :               0.00000840473980
                   +0 :               0.00001961384910
                   +1 :               0.00002041189669
                3s
                   +0 :               0.00007822387544
                4s
                   +0 :              -0.00000118957434
                3p
                   -1 :              -0.00000638332111
                   +0 :              -0.00005420811033
                   +1 :              -0.00003526439909
                4p
                   -1 :              -0.00000829505475
                   +0 :               0.00005101950105
                   +1 :               0.00001450880282
                3d
                   -2 :               0.00001034081474
                   -1 :              -0.00001959006442
                   +0 :              -0.00000333799525
                   +1 :              -0.00002448893740
                   +2 :               0.00000361047981
             12 vec=    -7.780163      1.739555    -14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00002814680440
                2p
                   -1 :              -0.00000992317078
                   +0 :              -0.00000217770989
                   +1 :              -0.00004107652622
                3s
                   +0 :               0.00016244594573
                4s
                   +0 :              -0.00000008405205
                3p
                   -1 :              -0.00005842820284
                   +0 :              -0.00005302222817
                   +1 :               0.00008048369219
                4p
                   -1 :              -0.00000460315515
                   +0 :              -0.00002598115413
                   +1 :              -0.00003251805991
                3d
                   -2 :               0.00002623561913
                   -1 :               0.00002696994440
                   +0 :              -0.00001273696131
                   +1 :               0.00000512784287
                   +2 :               0.00003232531058
             13 vec=     7.780163      1.739555    -14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00005976132910
                2p
                   -1 :              -0.00002504442297
                   +0 :               0.00000855966745
                   +1 :              -0.00000828547610
                3s
                   +0 :               0.00031790157169
                4s
                   +0 :              -0.00005916505011
                3p
                   -1 :               0.00005095612586
                   +0 :              -0.00013693878916
                   +1 :               0.00017648673295
                4p
                   -1 :              -0.00002633656966
                   +0 :              -0.00000109136391
                   +1 :              -0.00004050101855
                3d
                   -2 :              -0.00001528948250
                   -1 :              -0.00000649555955
                   +0 :               0.00000145788015
                   +1 :              -0.00006376898968
                   +2 :               0.00006641856401
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al( 11)  npairs=  14
              1 vec=     0.000000     -2.752324     -2.510641   |vec|=    3.725400
                2s
                   +0 :              -0.02269021875048
                2p
                   -1 :               0.02391668862137
                   +0 :               0.02152362406183
                   +1 :               0.00209467963217
                3s
                   +0 :              -0.06908039759087
                4s
                   +0 :              -0.00861736604633
                3p
                   -1 :               0.02855626173411
                   +0 :               0.06208306869164
                   +1 :              -0.01274991576454
                4p
                   -1 :               0.01259474703298
                   +0 :               0.00845303571736
                   +1 :               0.00478727040296
                3d
                   -2 :               0.00157811046230
                   -1 :              -0.04363764343739
                   +0 :              -0.02328540483625
                   +1 :               0.00031399011432
                   +2 :               0.01612838015892
              2 vec=     0.000000      6.231434     -2.510641   |vec|=    6.718191
                2s
                   +0 :              -0.00218837212451
                2p
                   -1 :              -0.00196481336707
                   +0 :               0.00114500148411
                   +1 :              -0.00090682266296
                3s
                   +0 :               0.00220915589081
                4s
                   +0 :              -0.00475453964984
                3p
                   -1 :               0.00119828988621
                   +0 :              -0.00087894219325
                   +1 :               0.00569221099178
                4p
                   -1 :              -0.00302524131721
                   +0 :               0.00139743832571
                   +1 :              -0.00152217187803
                3d
                   -2 :               0.00087331335456
                   -1 :              -0.00044056399075
                   +0 :               0.00042519844545
                   +1 :              -0.00006158054821
                   +2 :               0.00022136743380
              3 vec=    -7.780163      1.739555     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00036118456324
                2p
                   -1 :              -0.00053438970514
                   +0 :               0.00004987514458
                   +1 :              -0.00002043045317
                3s
                   +0 :              -0.00106399833995
                4s
                   +0 :               0.00220067333596
                3p
                   -1 :               0.00373904827692
                   +0 :              -0.00004990777564
                   +1 :               0.00358896935012
                4p
                   -1 :              -0.00100359287036
                   +0 :              -0.00054268892048
                   +1 :              -0.00237114492779
                3d
                   -2 :              -0.00038010999726
                   -1 :              -0.00040931783750
                   +0 :               0.00053313400360
                   +1 :              -0.00086442727714
                   +2 :              -0.00073165553497
              4 vec=     7.780163      1.739555     -2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00093278626377
                2p
                   -1 :              -0.00039945799080
                   +0 :               0.00029876717973
                   +1 :               0.00071058981088
                3s
                   +0 :              -0.00286642474963
                4s
                   +0 :               0.00082974057722
                3p
                   -1 :               0.00126469137649
                   +0 :              -0.00195640544402
                   +1 :              -0.00397922499752
                4p
                   -1 :               0.00015449308222
                   +0 :               0.00044677215210
                   +1 :               0.00089460755211
                3d
                   -2 :               0.00047708499734
                   -1 :              -0.00037098821202
                   +0 :               0.00102345895343
                   +1 :               0.00012910215058
                   +2 :              -0.00123550440254
              5 vec=    -7.780163     -7.244203     -2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00029802888716
                2p
                   -1 :              -0.00004769817745
                   +0 :              -0.00005752349092
                   +1 :              -0.00004804376361
                3s
                   +0 :              -0.00084039083909
                4s
                   +0 :               0.00043193177399
                3p
                   -1 :              -0.00032633082547
                   +0 :               0.00006868526453
                   +1 :               0.00022880422077
                4p
                   -1 :               0.00003523729168
                   +0 :              -0.00000328327877
                   +1 :              -0.00013227949004
                3d
                   -2 :               0.00001649281755
                   -1 :               0.00006747995779
                   +0 :               0.00025563328856
                   +1 :              -0.00021180042653
                   +2 :              -0.00001048538357
              6 vec=     7.780163     -7.244203     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00036209630615
                2p
                   -1 :               0.00011724206677
                   +0 :              -0.00012154297004
                   +1 :               0.00010292696887
                3s
                   +0 :               0.00064315810414
                4s
                   +0 :               0.00045357751083
                3p
                   -1 :              -0.00029333450881
                   +0 :               0.00052998638267
                   +1 :              -0.00107780459920
                4p
                   -1 :              -0.00020548082600
                   +0 :              -0.00031455578189
                   +1 :               0.00058954958152
                3d
                   -2 :               0.00024256375043
                   -1 :               0.00013904970947
                   +0 :               0.00015418070941
                   +1 :               0.00028777817218
                   +2 :              -0.00018033714245
              7 vec=     0.000000    -11.736082     -2.510641   |vec|=   12.001622
                2s
                   +0 :              -0.00032646053984
                2p
                   -1 :               0.00020591467254
                   +0 :               0.00020195764925
                   +1 :               0.00006693704781
                3s
                   +0 :               0.00050647518600
                4s
                   +0 :              -0.00047379974240
                3p
                   -1 :              -0.00064046894518
                   +0 :              -0.00019805963285
                   +1 :              -0.00016767812670
                4p
                   -1 :               0.00027004674964
                   +0 :               0.00019673463969
                   +1 :              -0.00003969059170
                3d
                   -2 :               0.00037288938682
                   -1 :              -0.00013745012402
                   +0 :              -0.00006945512077
                   +1 :              -0.00007480513781
                   +2 :               0.00008288111895
              8 vec=    -7.780163     10.723313     -2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00013500934466
                2p
                   -1 :              -0.00006740103287
                   +0 :              -0.00021577238900
                   +1 :              -0.00028171162733
                3s
                   +0 :               0.00030863283216
                4s
                   +0 :               0.00019785451882
                3p
                   -1 :               0.00052477553898
                   +0 :               0.00012817054742
                   +1 :               0.00095231084925
                4p
                   -1 :              -0.00010154424710
                   +0 :              -0.00013688317725
                   +1 :              -0.00039484089221
                3d
                   -2 :              -0.00001467690784
                   -1 :               0.00006588131205
                   +0 :               0.00022210076628
                   +1 :               0.00018421252708
                   +2 :              -0.00022380050941
              9 vec=     7.780163     10.723313     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00005282778366
                2p
                   -1 :               0.00005810276065
                   +0 :              -0.00000098593330
                   +1 :              -0.00009874253954
                3s
                   +0 :               0.00131635042175
                4s
                   +0 :              -0.00026007122239
                3p
                   -1 :              -0.00022742626143
                   +0 :              -0.00082344519217
                   +1 :               0.00120913381758
                4p
                   -1 :               0.00008607537051
                   +0 :               0.00002536807345
                   +1 :              -0.00026108462539
                3d
                   -2 :               0.00011094984410
                   -1 :              -0.00008254649790
                   +0 :               0.00030088905631
                   +1 :              -0.00030048004980
                   +2 :               0.00022885648077
             10 vec=     0.000000     15.215192     -2.510641   |vec|=   15.420940
                2s
                   +0 :              -0.00002783307623
                2p
                   -1 :              -0.00002579711280
                   +0 :               0.00001285693690
                   +1 :               0.00000676352566
                3s
                   +0 :               0.00027900947892
                4s
                   +0 :              -0.00012198074921
                3p
                   -1 :               0.00020868251240
                   +0 :              -0.00009165057187
                   +1 :               0.00000918247043
                4p
                   -1 :              -0.00009450069307
                   +0 :               0.00000704329233
                   +1 :              -0.00003887529328
                3d
                   -2 :               0.00002549351620
                   -1 :              -0.00002535347556
                   +0 :              -0.00000373406461
                   +1 :               0.00004026710945
                   +2 :              -0.00001166776205
             11 vec=   -15.560325     -2.752324     -2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00000480397425
                2p
                   -1 :              -0.00004866485366
                   +0 :              -0.00000068922292
                   +1 :               0.00002413746114
                3s
                   +0 :              -0.00019215314328
                4s
                   +0 :               0.00002137678777
                3p
                   -1 :               0.00021004280322
                   +0 :               0.00011552747566
                   +1 :              -0.00003980593593
                4p
                   -1 :              -0.00004204872134
                   +0 :              -0.00003122798958
                   +1 :               0.00002077374477
                3d
                   -2 :              -0.00001447847098
                   -1 :               0.00008714225420
                   +0 :              -0.00001775814021
                   +1 :              -0.00003019792761
                   +2 :               0.00004488541718
             12 vec=    15.560325     -2.752324     -2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00005948345764
                2p
                   -1 :              -0.00001713674661
                   +0 :               0.00002152422325
                   +1 :              -0.00006569038436
                3s
                   +0 :               0.00004103863880
                4s
                   +0 :              -0.00006558490288
                3p
                   -1 :               0.00009231930629
                   +0 :              -0.00007659466515
                   +1 :               0.00025705237685
                4p
                   -1 :              -0.00003057277368
                   +0 :               0.00004150818223
                   +1 :              -0.00008240864280
                3d
                   -2 :              -0.00002880368749
                   -1 :               0.00002323776418
                   +0 :              -0.00005831041191
                   +1 :              -0.00001837724959
                   +2 :               0.00000610406174
             13 vec=   -15.560325      6.231434     -2.510641   |vec|=   16.948682
                2s
                   +0 :              -0.00001443613268
                2p
                   -1 :               0.00001206173350
                   +0 :              -0.00001042736290
                   +1 :               0.00000368790445
                3s
                   +0 :               0.00013216966670
                4s
                   +0 :              -0.00007040842299
                3p
                   -1 :              -0.00005034671854
                   +0 :               0.00000236090603
                   +1 :              -0.00007873521453
                4p
                   -1 :               0.00000482188302
                   +0 :               0.00001259672204
                   +1 :               0.00003763214033
                3d
                   -2 :              -0.00000891552578
                   -1 :              -0.00001192469915
                   +0 :              -0.00000043658488
                   +1 :               0.00000865579764
                   +2 :               0.00000914517881
             14 vec=    15.560325      6.231434     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00001467092473
                2p
                   -1 :              -0.00000444231435
                   +0 :              -0.00000629063688
                   +1 :               0.00000237835482
                3s
                   +0 :              -0.00003873923141
                4s
                   +0 :               0.00002956841224
                3p
                   -1 :               0.00001156839687
                   +0 :               0.00001442746582
                   +1 :               0.00000058895947
                4p
                   -1 :              -0.00000489592020
                   +0 :              -0.00001418709856
                   +1 :              -0.00000091301217
                3d
                   -2 :               0.00000510115602
                   -1 :               0.00000543679031
                   +0 :              -0.00001932001660
                   +1 :              -0.00000425003710
                   +2 :              -0.00000158055504
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site Al( 12)  npairs=  13
              1 vec=     0.000000     -2.752324     -9.762967   |vec|=   10.143511
                2s
                   +0 :               0.00032308033160
                2p
                   -1 :              -0.00012310754507
                   +0 :              -0.00010993511805
                   +1 :              -0.00022078752982
                3s
                   +0 :              -0.00027524925363
                4s
                   +0 :               0.00001743580238
                3p
                   -1 :              -0.00057247953270
                   +0 :               0.00009352204412
                   +1 :               0.00106627258500
                4p
                   -1 :              -0.00001592818920
                   +0 :               0.00001154360066
                   +1 :              -0.00040632922699
                3d
                   -2 :              -0.00044215710141
                   -1 :               0.00024745480110
                   +0 :               0.00010560373515
                   +1 :              -0.00001082679436
                   +2 :               0.00046159748461
              2 vec=     0.000000      6.231434     -9.762967   |vec|=   11.582154
                2s
                   +0 :              -0.00035030465389
                2p
                   -1 :              -0.00005463295169
                   +0 :               0.00018926576183
                   +1 :              -0.00016374669615
                3s
                   +0 :               0.00151633599340
                4s
                   +0 :              -0.00075899061215
                3p
                   -1 :               0.00035159778238
                   +0 :              -0.00141924197318
                   +1 :               0.00053479834201
                4p
                   -1 :              -0.00010208659868
                   +0 :               0.00051745855138
                   +1 :               0.00003712112805
                3d
                   -2 :               0.00035888171193
                   -1 :              -0.00016073387562
                   +0 :               0.00035620814915
                   +1 :              -0.00016783317147
                   +2 :               0.00007321856119
              3 vec=    -7.780163      1.739555     -9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00009567552402
                2p
                   -1 :               0.00004369383694
                   +0 :              -0.00006698374536
                   +1 :              -0.00013313815952
                3s
                   +0 :              -0.00124146612216
                4s
                   +0 :               0.00030386442969
                3p
                   -1 :              -0.00051409403805
                   +0 :               0.00069865500257
                   +1 :               0.00149494283513
                4p
                   -1 :              -0.00005182419489
                   +0 :              -0.00026764774153
                   +1 :              -0.00029218246448
                3d
                   -2 :               0.00011206287653
                   -1 :              -0.00002527788827
                   +0 :               0.00014935991313
                   +1 :              -0.00023686882879
                   +2 :              -0.00012459725369
              4 vec=     7.780163      1.739555     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00001896107249
                2p
                   -1 :              -0.00011955762331
                   +0 :              -0.00002941937400
                   +1 :               0.00002802145622
                3s
                   +0 :              -0.00074048623591
                4s
                   +0 :              -0.00006894319994
                3p
                   -1 :               0.00041251741948
                   +0 :               0.00040263025028
                   +1 :              -0.00101707839585
                4p
                   -1 :              -0.00025208327921
                   +0 :              -0.00004635217587
                   +1 :               0.00012862208891
                3d
                   -2 :              -0.00032235541357
                   -1 :               0.00010340283391
                   +0 :               0.00009101260701
                   +1 :               0.00032227007146
                   +2 :              -0.00024976863477
              5 vec=    -7.780163     -7.244203     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00020053289249
                2p
                   -1 :               0.00006673701991
                   +0 :              -0.00005435033145
                   +1 :              -0.00002736844952
                3s
                   +0 :              -0.00053845886143
                4s
                   +0 :               0.00013728119412
                3p
                   -1 :              -0.00039900833094
                   +0 :               0.00018445238188
                   +1 :              -0.00000208765435
                4p
                   -1 :               0.00009492080431
                   +0 :              -0.00002437425289
                   +1 :               0.00005763068558
                3d
                   -2 :               0.00020895519682
                   -1 :               0.00012136272294
                   +0 :              -0.00000556629401
                   +1 :              -0.00001739339754
                   +2 :              -0.00001062042855
              6 vec=     7.780163     -7.244203     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00000526744859
                2p
                   -1 :               0.00004075230968
                   +0 :              -0.00000385880916
                   +1 :               0.00013995938386
                3s
                   +0 :              -0.00015167737203
                4s
                   +0 :               0.00018676557182
                3p
                   -1 :              -0.00020143120500
                   +0 :               0.00004742164090
                   +1 :              -0.00079584134870
                4p
                   -1 :              -0.00001958459619
                   +0 :              -0.00004157495025
                   +1 :               0.00025995077571
                3d
                   -2 :               0.00004346733926
                   -1 :               0.00011294881188
                   +0 :              -0.00004652152248
                   +1 :               0.00014751125256
                   +2 :              -0.00018180243118
              7 vec=     0.000000     -2.752324     14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00006090654096
                2p
                   -1 :              -0.00003777621083
                   +0 :              -0.00001810536857
                   +1 :              -0.00004983997896
                3s
                   +0 :               0.00012284041341
                4s
                   +0 :              -0.00003448969502
                3p
                   -1 :               0.00010917565833
                   +0 :               0.00003505488285
                   +1 :               0.00022892529154
                4p
                   -1 :              -0.00001307349527
                   +0 :              -0.00000806858326
                   +1 :              -0.00004049102360
                3d
                   -2 :              -0.00008291498684
                   -1 :               0.00005730866063
                   +0 :              -0.00001443291239
                   +1 :               0.00000684256934
                   +2 :               0.00005304975160
              8 vec=     0.000000    -11.736082     -9.762967   |vec|=   15.266013
                2s
                   +0 :              -0.00032822135599
                2p
                   -1 :               0.00018436208735
                   +0 :               0.00015525104901
                   +1 :               0.00009293896894
                3s
                   +0 :               0.00109524777472
                4s
                   +0 :              -0.00025802905750
                3p
                   -1 :              -0.00098215566693
                   +0 :              -0.00072242359054
                   +1 :              -0.00061089522117
                4p
                   -1 :               0.00018972072488
                   +0 :               0.00013783829888
                   +1 :               0.00022447898587
                3d
                   -2 :               0.00007081432640
                   -1 :               0.00032005771714
                   +0 :              -0.00000914966452
                   +1 :               0.00003174590333
                   +2 :              -0.00022093698503
              9 vec=     0.000000      6.231434     14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00010005403275
                2p
                   -1 :              -0.00002945404554
                   +0 :              -0.00002817953221
                   +1 :              -0.00000516446084
                3s
                   +0 :               0.00045820706698
                4s
                   +0 :              -0.00015232009789
                3p
                   -1 :               0.00007779999743
                   +0 :               0.00020479505491
                   +1 :               0.00000997038720
                4p
                   -1 :              -0.00002913477197
                   +0 :              -0.00005242844402
                   +1 :              -0.00001233938179
                3d
                   -2 :               0.00001664093969
                   -1 :               0.00000775605032
                   +0 :               0.00000235773326
                   +1 :               0.00000009881033
                   +2 :              -0.00001809388826
             10 vec=    -7.780163     10.723313     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00010383399949
                2p
                   -1 :               0.00004763398351
                   +0 :               0.00000008857884
                   +1 :              -0.00008727924888
                3s
                   +0 :              -0.00020416133673
                4s
                   +0 :               0.00007898263075
                3p
                   -1 :              -0.00018801333329
                   +0 :              -0.00010182198938
                   +1 :               0.00032604760783
                4p
                   -1 :               0.00003960363545
                   +0 :               0.00002824020689
                   +1 :              -0.00005984938121
                3d
                   -2 :               0.00005339474172
                   -1 :              -0.00001527620108
                   +0 :               0.00004104616419
                   +1 :              -0.00002110636065
                   +2 :              -0.00002356789032
             11 vec=     7.780163     10.723313     -9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00003128099309
                2p
                   -1 :              -0.00001272329396
                   +0 :               0.00001840708313
                   +1 :              -0.00000023298176
                3s
                   +0 :               0.00027804554723
                4s
                   +0 :              -0.00006299801305
                3p
                   -1 :               0.00008839652011
                   +0 :              -0.00016383485674
                   +1 :               0.00013847530760
                4p
                   -1 :              -0.00001794344606
                   +0 :               0.00003235239936
                   +1 :              -0.00002798833162
                3d
                   -2 :               0.00002370251456
                   -1 :              -0.00001578861910
                   +0 :               0.00000708269316
                   +1 :              -0.00004423497096
                   +2 :               0.00004034578135
             12 vec=    -7.780163      1.739555     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00006470367161
                2p
                   -1 :              -0.00002406600320
                   +0 :              -0.00000703798640
                   +1 :               0.00001437163013
                3s
                   +0 :               0.00033697941814
                4s
                   +0 :              -0.00009111624273
                3p
                   -1 :               0.00006174190695
                   +0 :               0.00012790812685
                   +1 :              -0.00019399471782
                4p
                   -1 :              -0.00002347892725
                   +0 :              -0.00001550638085
                   +1 :               0.00004736272084
                3d
                   -2 :               0.00001156383297
                   -1 :              -0.00000516696346
                   +0 :              -0.00000848962152
                   +1 :              -0.00005909924449
                   +2 :               0.00005975796889
             13 vec=     7.780163      1.739555     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00004322963156
                2p
                   -1 :              -0.00000832154806
                   +0 :              -0.00000597417012
                   +1 :               0.00001552914334
                3s
                   +0 :               0.00032199008467
                4s
                   +0 :              -0.00004966744865
                3p
                   -1 :              -0.00002251016296
                   +0 :               0.00016176554967
                   +1 :               0.00003068908143
                4p
                   -1 :               0.00000303641642
                   +0 :              -0.00001229150226
                   +1 :               0.00000746513322
                3d
                   -2 :              -0.00002217156814
                   -1 :              -0.00000991632296
                   +0 :               0.00000623612729
                   +1 :               0.00003044128804
                   +2 :               0.00001360904955
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 13)  npairs=  14
              1 vec=    -0.209546      0.363243      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00026706819287
                2s
                   +0 :               0.00169046421580
                3s
                   +0 :              -0.00056542918876
                2p
                   -1 :              -0.00242496414543
                   +0 :               0.00262206954467
                   +1 :              -0.00161552707290
                3p
                   -1 :               0.00126430066527
                   +0 :              -0.00165667388677
                   +1 :               0.00136712196802
                3d
                   -2 :               0.00001195625270
                   -1 :               0.00011215968102
                   +0 :              -0.00000688732541
                   +1 :               0.00004477922539
                   +2 :              -0.00012475746097
              2 vec=    -0.209546     -8.620515      8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00002415987015
                2s
                   +0 :              -0.00005131368762
                3s
                   +0 :               0.00001069076418
                2p
                   -1 :               0.00122926838279
                   +0 :               0.00009915010191
                   +1 :              -0.00061325964576
                3p
                   -1 :              -0.00113202343934
                   +0 :              -0.00000762510171
                   +1 :               0.00044882275787
                3d
                   -2 :               0.00004995809278
                   -1 :              -0.00004247058625
                   +0 :               0.00002112051105
                   +1 :              -0.00000834421975
                   +2 :              -0.00006404556947
              3 vec=     7.570617     -4.128636      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00005104345920
                2s
                   +0 :              -0.00048003068182
                3s
                   +0 :               0.00009624860063
                2p
                   -1 :              -0.00012719330054
                   +0 :              -0.00025511544090
                   +1 :              -0.00022438567851
                3p
                   -1 :               0.00026661817411
                   +0 :              -0.00002730021659
                   +1 :               0.00000935847738
                3d
                   -2 :               0.00002418073181
                   -1 :               0.00001872414275
                   +0 :               0.00002701931633
                   +1 :               0.00004536241642
                   +2 :               0.00004747561074
              4 vec=    -7.989708     -4.128636      8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00007953711916
                2s
                   +0 :              -0.00072719945613
                3s
                   +0 :               0.00012085673990
                2p
                   -1 :               0.00029510578076
                   +0 :              -0.00061601924383
                   +1 :               0.00064835307531
                3p
                   -1 :              -0.00044838299094
                   +0 :               0.00025259447491
                   +1 :              -0.00024419401836
                3d
                   -2 :               0.00001819750308
                   -1 :              -0.00001582279520
                   +0 :              -0.00001310094709
                   +1 :               0.00001359163225
                   +2 :              -0.00004149650052
              5 vec=     7.570617      4.855122      8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00005613420074
                2s
                   +0 :               0.00000708755769
                3s
                   +0 :               0.00016610672084
                2p
                   -1 :               0.00000648143885
                   +0 :               0.00007606261896
                   +1 :               0.00004808821744
                3p
                   -1 :              -0.00015426628265
                   +0 :              -0.00011287169014
                   +1 :               0.00020486992245
                3d
                   -2 :               0.00001143846747
                   -1 :               0.00002152698864
                   +0 :               0.00002613370255
                   +1 :               0.00003368731890
                   +2 :               0.00005289504569
              6 vec=    -7.989708      4.855122      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00006095355133
                2s
                   +0 :               0.00043420998194
                3s
                   +0 :              -0.00018101764923
                2p
                   -1 :              -0.00018167698092
                   +0 :               0.00047460690124
                   +1 :              -0.00062597696610
                3p
                   -1 :               0.00007321313547
                   +0 :              -0.00036792550182
                   +1 :               0.00042625469130
                3d
                   -2 :               0.00000963453189
                   -1 :               0.00001521941139
                   +0 :              -0.00001722688861
                   +1 :               0.00003885975870
                   +2 :              -0.00002639420773
              7 vec=    -0.209546      9.347001      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00008987067368
                2s
                   +0 :               0.00102180225132
                3s
                   +0 :              -0.00019332943685
                2p
                   -1 :               0.00055431051618
                   +0 :               0.00063186892325
                   +1 :              -0.00013731738407
                3p
                   -1 :              -0.00025863948500
                   +0 :              -0.00006742504441
                   +1 :               0.00012445324989
                3d
                   -2 :               0.00001961332768
                   -1 :               0.00002123303622
                   +0 :               0.00004060019883
                   +1 :               0.00001770737330
                   +2 :               0.00001464442155
              8 vec=    -0.209546      0.363243    -16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000401319016
                2s
                   +0 :               0.00001447239080
                3s
                   +0 :              -0.00000365399539
                2p
                   -1 :              -0.00001405259775
                   +0 :               0.00003070602217
                   +1 :               0.00000641610925
                3p
                   -1 :               0.00000087246994
                   +0 :              -0.00002447740045
                   +1 :              -0.00000637922912
                3d
                   -2 :               0.00000365510540
                   -1 :               0.00000070777210
                   +0 :               0.00000199855127
                   +1 :               0.00000070737354
                   +2 :               0.00000096606185
              9 vec=     7.570617    -13.112394      8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00002536418556
                2s
                   +0 :               0.00022204627803
                3s
                   +0 :              -0.00015235477045
                2p
                   -1 :              -0.00005456507093
                   +0 :               0.00020204971098
                   +1 :               0.00030559720618
                3p
                   -1 :               0.00008522237763
                   +0 :              -0.00010793784343
                   +1 :              -0.00021586748279
                3d
                   -2 :               0.00001901920012
                   -1 :               0.00001389931587
                   +0 :               0.00000277674377
                   +1 :              -0.00002797892450
                   +2 :              -0.00001797574459
             10 vec=    -7.989708    -13.112394      8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00001331584133
                2s
                   +0 :              -0.00013749948773
                3s
                   +0 :               0.00002605836566
                2p
                   -1 :               0.00002619912478
                   +0 :              -0.00012645804957
                   +1 :              -0.00002261160653
                3p
                   -1 :               0.00001628814294
                   +0 :               0.00002665932462
                   +1 :               0.00000654365316
                3d
                   -2 :              -0.00000418088263
                   -1 :               0.00000452477452
                   +0 :               0.00000182755353
                   +1 :               0.00000061788046
                   +2 :               0.00000423573198
             11 vec=    15.350780      0.363243      8.182514   |vec|=   17.399193
                1s
                   +0 :               0.00000740766075
                2s
                   +0 :              -0.00008985011369
                3s
                   +0 :               0.00001465080111
                2p
                   -1 :              -0.00001283803524
                   +0 :              -0.00014885071879
                   +1 :              -0.00006874043293
                3p
                   -1 :               0.00000402844262
                   +0 :               0.00007126769281
                   +1 :               0.00000481829846
                3d
                   -2 :               0.00000432580043
                   -1 :              -0.00000343553657
                   +0 :               0.00000017554632
                   +1 :               0.00000568711093
                   +2 :               0.00000126095867
             12 vec=   -15.769871      0.363243      8.182514   |vec|=   17.770040
                1s
                   +0 :              -0.00000231468913
                2s
                   +0 :               0.00002591313168
                3s
                   +0 :              -0.00000225131670
                2p
                   -1 :               0.00002480386920
                   +0 :              -0.00001454455047
                   +1 :              -0.00000482814167
                3p
                   -1 :              -0.00001892321715
                   +0 :               0.00002430835845
                   +1 :               0.00000339422826
                3d
                   -2 :               0.00000059461804
                   -1 :              -0.00000206837189
                   +0 :               0.00000207302998
                   +1 :              -0.00000308318857
                   +2 :               0.00000209570573
             13 vec=     7.570617     13.838880      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000819216496
                2s
                   +0 :               0.00010189280095
                3s
                   +0 :              -0.00000106614748
                2p
                   -1 :              -0.00001577024616
                   +0 :               0.00001988635008
                   +1 :               0.00002480014917
                3p
                   -1 :               0.00006154610900
                   +0 :               0.00003136796315
                   +1 :               0.00002899450833
                3d
                   -2 :               0.00000641188645
                   -1 :               0.00000441085447
                   +0 :               0.00000062230203
                   +1 :               0.00000341734506
                   +2 :              -0.00000260414930
             14 vec=    -7.989708     13.838880      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00001219941553
                2s
                   +0 :               0.00011139637189
                3s
                   +0 :              -0.00002866961509
                2p
                   -1 :               0.00004217092802
                   +0 :               0.00006649216258
                   +1 :              -0.00006905571561
                3p
                   -1 :              -0.00000052963741
                   +0 :              -0.00002488993377
                   +1 :               0.00002586482783
                3d
                   -2 :               0.00000116644432
                   -1 :               0.00000002545757
                   +0 :               0.00000065470543
                   +1 :              -0.00000044678609
                   +2 :               0.00000170480252
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 14)  npairs=  15
              1 vec=     2.802933     -4.128636      8.182514   |vec|=    9.584133
                1s
                   +0 :               0.00026057409659
                2s
                   +0 :              -0.00172797320355
                3s
                   +0 :               0.00063982874026
                2p
                   -1 :              -0.00172309355573
                   +0 :              -0.00187577476529
                   +1 :              -0.00027021833421
                3p
                   -1 :               0.00151917827902
                   +0 :               0.00155244198927
                   +1 :               0.00045827244531
                3d
                   -2 :               0.00001110061543
                   -1 :               0.00015236278132
                   +0 :               0.00002323166848
                   +1 :               0.00007011498234
                   +2 :               0.00002476343913
              2 vec=    -4.977229      0.363243      8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00029660540420
                2s
                   +0 :              -0.00256225098741
                3s
                   +0 :               0.00077822662591
                2p
                   -1 :              -0.00110640191960
                   +0 :              -0.00181850106897
                   +1 :              -0.00024742738656
                3p
                   -1 :               0.00006822499981
                   +0 :               0.00035856310073
                   +1 :               0.00091036309536
                3d
                   -2 :               0.00013969943545
                   -1 :              -0.00005780444667
                   +0 :               0.00003027879066
                   +1 :               0.00006688171780
                   +2 :              -0.00002596118080
              3 vec=     2.802933      4.855122      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00040391764081
                2s
                   +0 :               0.00335599317155
                3s
                   +0 :              -0.00071246012541
                2p
                   -1 :               0.00121273021693
                   +0 :               0.00215371655051
                   +1 :               0.00234282150832
                3p
                   -1 :              -0.00061026790620
                   +0 :              -0.00006298258747
                   +1 :              -0.00065006347251
                3d
                   -2 :              -0.00002375987267
                   -1 :              -0.00010189438144
                   +0 :               0.00005951693854
                   +1 :               0.00015150357257
                   +2 :               0.00006525892471
              4 vec=    -4.977229     -8.620515      8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00002853771752
                2s
                   +0 :              -0.00036842226013
                3s
                   +0 :               0.00010522846820
                2p
                   -1 :              -0.00018926934626
                   +0 :              -0.00027986802997
                   +1 :               0.00018164633640
                3p
                   -1 :               0.00015233944272
                   +0 :               0.00019695907932
                   +1 :              -0.00026197614522
                3d
                   -2 :               0.00002626299449
                   -1 :               0.00000622720747
                   +0 :              -0.00002179091237
                   +1 :              -0.00004960662100
                   +2 :               0.00003586471523
              5 vec=    10.583096      0.363243      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00005410827577
                2s
                   +0 :               0.00032325691516
                3s
                   +0 :              -0.00013258966385
                2p
                   -1 :               0.00026138959255
                   +0 :               0.00021756924702
                   +1 :              -0.00011344879914
                3p
                   -1 :              -0.00027217295243
                   +0 :              -0.00008549262333
                   +1 :               0.00008211293176
                3d
                   -2 :              -0.00000205138417
                   -1 :              -0.00004760615836
                   +0 :              -0.00001973100752
                   +1 :              -0.00000397291368
                   +2 :              -0.00001483353821
              6 vec=    -4.977229      9.347001      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00002034098546
                2s
                   +0 :               0.00050920512223
                3s
                   +0 :              -0.00005604639723
                2p
                   -1 :               0.00012712603184
                   +0 :               0.00040139723639
                   +1 :              -0.00014963640344
                3p
                   -1 :              -0.00003139576505
                   +0 :              -0.00018214633134
                   +1 :              -0.00004398646424
                3d
                   -2 :              -0.00001417393042
                   -1 :              -0.00001583180360
                   +0 :              -0.00001695058184
                   +1 :               0.00000854349420
                   +2 :               0.00000185738706
              7 vec=     2.802933    -13.112394      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00000415170253
                2s
                   +0 :              -0.00013273369226
                3s
                   +0 :              -0.00002313539975
                2p
                   -1 :              -0.00010009962610
                   +0 :              -0.00013649983760
                   +1 :               0.00002139591204
                3p
                   -1 :               0.00018889650459
                   +0 :               0.00002089437252
                   +1 :               0.00003614953363
                3d
                   -2 :               0.00000935168403
                   -1 :               0.00000640755325
                   +0 :              -0.00000456393605
                   +1 :              -0.00001061309778
                   +2 :              -0.00000787330032
              8 vec=   -12.757392     -4.128636      8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00001658751477
                2s
                   +0 :               0.00011650137788
                3s
                   +0 :              -0.00005871729769
                2p
                   -1 :              -0.00011928741616
                   +0 :               0.00003308809229
                   +1 :              -0.00002087218495
                3p
                   -1 :               0.00005580697771
                   +0 :              -0.00000987852082
                   +1 :               0.00000286406944
                3d
                   -2 :               0.00000264348472
                   -1 :               0.00001340625184
                   +0 :              -0.00001545469411
                   +1 :               0.00000350312529
                   +2 :               0.00000624608170
              9 vec=    10.583096     -8.620515      8.182514   |vec|=   15.914419
                1s
                   +0 :               0.00003785712288
                2s
                   +0 :              -0.00035655081787
                3s
                   +0 :               0.00008484173625
                2p
                   -1 :               0.00003071217099
                   +0 :              -0.00013561875492
                   +1 :              -0.00022598011229
                3p
                   -1 :               0.00003588593914
                   +0 :               0.00001243715210
                   +1 :               0.00008830988411
                3d
                   -2 :               0.00000269569811
                   -1 :               0.00000838114030
                   +0 :              -0.00000505644711
                   +1 :              -0.00000380438783
                   +2 :               0.00001078227686
             10 vec=   -12.757392      4.855122      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00003499010841
                2s
                   +0 :              -0.00024205338590
                3s
                   +0 :               0.00011634332074
                2p
                   -1 :               0.00002630035249
                   +0 :              -0.00010571753959
                   +1 :               0.00009487203292
                3p
                   -1 :               0.00000922749549
                   +0 :               0.00002422546759
                   +1 :              -0.00006243813694
                3d
                   -2 :              -0.00000068631970
                   -1 :               0.00000082106228
                   +0 :               0.00000568913322
                   +1 :               0.00000290328317
                   +2 :              -0.00000008293459
             11 vec=    10.583096      9.347001      8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00001468229823
                2s
                   +0 :              -0.00005362276977
                3s
                   +0 :               0.00007437536796
                2p
                   -1 :              -0.00004932225377
                   +0 :              -0.00000772925670
                   +1 :               0.00009303435869
                3p
                   -1 :               0.00005790740264
                   +0 :               0.00004094485686
                   +1 :              -0.00003238100367
                3d
                   -2 :              -0.00000286268333
                   -1 :              -0.00000200925220
                   +0 :              -0.00000469087261
                   +1 :               0.00000304258372
                   +2 :              -0.00000115030830
             12 vec=     2.802933     13.838880      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00001636624734
                2s
                   +0 :               0.00018948856954
                3s
                   +0 :              -0.00004152607437
                2p
                   -1 :               0.00014795771092
                   +0 :               0.00012887264127
                   +1 :               0.00001052305154
                3p
                   -1 :              -0.00003053008673
                   +0 :              -0.00003824319083
                   +1 :              -0.00001095713960
                3d
                   -2 :              -0.00000016887928
                   -1 :              -0.00000830899369
                   +0 :              -0.00000020271785
                   +1 :               0.00000127856572
                   +2 :               0.00000052003110
             13 vec=     2.802933     -4.128636    -16.365028   |vec|=   17.108951
                1s
                   +0 :              -0.00001593213571
                2s
                   +0 :               0.00011599648887
                3s
                   +0 :              -0.00004765956679
                2p
                   -1 :              -0.00011103356896
                   +0 :              -0.00007189827798
                   +1 :              -0.00007630545685
                3p
                   -1 :               0.00007401546248
                   +0 :               0.00004438379650
                   +1 :               0.00004118383231
                3d
                   -2 :              -0.00000298190557
                   -1 :              -0.00000321088646
                   +0 :               0.00000455657658
                   +1 :              -0.00000479182858
                   +2 :              -0.00000163773102
             14 vec=    -4.977229      0.363243    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00000243662805
                2s
                   +0 :               0.00001252425701
                3s
                   +0 :               0.00001295427822
                2p
                   -1 :              -0.00001844143389
                   +0 :              -0.00000202521666
                   +1 :              -0.00002338125292
                3p
                   -1 :              -0.00001249740081
                   +0 :              -0.00003789408197
                   +1 :               0.00000894307310
                3d
                   -2 :              -0.00000347516248
                   -1 :               0.00000401549294
                   +0 :               0.00000963406396
                   +1 :               0.00000230259284
                   +2 :              -0.00000086415316
             15 vec=     2.802933      4.855122    -16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00000713664242
                2s
                   +0 :               0.00002055892402
                3s
                   +0 :              -0.00001517756822
                2p
                   -1 :              -0.00008209396883
                   +0 :              -0.00003100060071
                   +1 :               0.00007105136289
                3p
                   -1 :               0.00005254429095
                   +0 :               0.00004391983463
                   +1 :              -0.00003877132229
                3d
                   -2 :              -0.00000236583708
                   -1 :              -0.00000199689174
                   +0 :              -0.00000045002809
                   +1 :               0.00000057042462
                   +2 :              -0.00000404446537
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 15)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00010808036800
                2s
                   +0 :               0.00014617894001
                3s
                   +0 :              -0.00041633215457
                2p
                   -1 :              -0.00047499321015
                   +0 :              -0.00012456105194
                   +1 :               0.00033672438003
                3p
                   -1 :               0.00068377031077
                   +0 :              -0.00046469616382
                   +1 :              -0.00073890641383
                3d
                   -2 :               0.00003700202632
                   -1 :               0.00014853034742
                   +0 :               0.00001033785437
                   +1 :              -0.00005894708807
                   +2 :               0.00000961864855
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00015286374511
                2s
                   +0 :              -0.00152108518110
                3s
                   +0 :               0.00010218521302
                2p
                   -1 :               0.00011664170566
                   +0 :              -0.00111889876050
                   +1 :              -0.00073609247404
                3p
                   -1 :              -0.00035551494862
                   +0 :              -0.00002615471306
                   +1 :              -0.00005843033365
                3d
                   -2 :              -0.00001789022067
                   -1 :               0.00007504328018
                   +0 :              -0.00007569404466
                   +1 :              -0.00011518826049
                   +2 :              -0.00006149612389
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00021157223001
                2s
                   +0 :               0.00211832270717
                3s
                   +0 :              -0.00027284292570
                2p
                   -1 :               0.00011556813857
                   +0 :               0.00250171751053
                   +1 :              -0.00054669676703
                3p
                   -1 :              -0.00011421233927
                   +0 :              -0.00036563411794
                   +1 :              -0.00109998125338
                3d
                   -2 :              -0.00010491581402
                   -1 :              -0.00014284644504
                   +0 :               0.00006693194281
                   +1 :              -0.00027805407808
                   +2 :               0.00022116496075
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00000370338658
                2s
                   +0 :              -0.00050654900643
                3s
                   +0 :              -0.00000588815075
                2p
                   -1 :               0.00054758233731
                   +0 :              -0.00005106855866
                   +1 :               0.00053440877056
                3p
                   -1 :              -0.00030553405910
                   +0 :              -0.00027212458481
                   +1 :              -0.00043716198786
                3d
                   -2 :              -0.00003305862710
                   -1 :               0.00000629199570
                   +0 :              -0.00003638692753
                   +1 :               0.00002403538567
                   +2 :              -0.00002811975568
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000244094875
                2s
                   +0 :              -0.00002995642791
                3s
                   +0 :               0.00002008388720
                2p
                   -1 :              -0.00013198771988
                   +0 :               0.00010273106661
                   +1 :               0.00007030775044
                3p
                   -1 :               0.00012247929669
                   +0 :              -0.00004022602988
                   +1 :              -0.00006606398982
                3d
                   -2 :               0.00000785770347
                   -1 :              -0.00000324784294
                   +0 :              -0.00000194528154
                   +1 :              -0.00000459818177
                   +2 :              -0.00000155136624
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00002142923286
                2s
                   +0 :               0.00021373728859
                3s
                   +0 :               0.00020521412040
                2p
                   -1 :               0.00008637831083
                   +0 :              -0.00002698732774
                   +1 :               0.00035947016954
                3p
                   -1 :               0.00007863465116
                   +0 :               0.00002676220496
                   +1 :              -0.00011533424341
                3d
                   -2 :              -0.00000468509140
                   -1 :               0.00005762708499
                   +0 :               0.00004208333271
                   +1 :              -0.00000213780397
                   +2 :              -0.00002838457501
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00001847690247
                2s
                   +0 :              -0.00015569027903
                3s
                   +0 :               0.00002312624280
                2p
                   -1 :              -0.00010910603988
                   +0 :              -0.00009202824285
                   +1 :              -0.00007545872784
                3p
                   -1 :               0.00017033027232
                   +0 :               0.00000004806326
                   +1 :               0.00008153051491
                3d
                   -2 :              -0.00001247386675
                   -1 :              -0.00000276821300
                   +0 :               0.00001340196670
                   +1 :               0.00001088850176
                   +2 :               0.00000460924982
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001120276765
                2s
                   +0 :               0.00000894439486
                3s
                   +0 :              -0.00004750503628
                2p
                   -1 :              -0.00016827062546
                   +0 :              -0.00009081990100
                   +1 :               0.00000398112140
                3p
                   -1 :               0.00012393648343
                   +0 :              -0.00001986828750
                   +1 :               0.00004254402374
                3d
                   -2 :              -0.00000142245160
                   -1 :              -0.00000278565868
                   +0 :              -0.00000003298982
                   +1 :               0.00000423355385
                   +2 :               0.00000137008309
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00000366825175
                2s
                   +0 :               0.00001493949402
                3s
                   +0 :              -0.00003553876044
                2p
                   -1 :              -0.00016932472200
                   +0 :               0.00001434973369
                   +1 :              -0.00001958873601
                3p
                   -1 :               0.00009415630983
                   +0 :              -0.00003974172766
                   +1 :               0.00002000448366
                3d
                   -2 :               0.00000411444283
                   -1 :               0.00000737739964
                   +0 :              -0.00000333221539
                   +1 :              -0.00000778424807
                   +2 :               0.00000492532596
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000130811364
                2s
                   +0 :               0.00005992859723
                3s
                   +0 :               0.00001598497503
                2p
                   -1 :               0.00005278138713
                   +0 :               0.00003414672418
                   +1 :               0.00012352161497
                3p
                   -1 :              -0.00005630778783
                   +0 :              -0.00000547306523
                   +1 :              -0.00005122482518
                3d
                   -2 :              -0.00000122221628
                   -1 :               0.00000569157702
                   +0 :               0.00000830904397
                   +1 :              -0.00000603504421
                   +2 :              -0.00000200025977
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001036281739
                2s
                   +0 :               0.00012478776838
                3s
                   +0 :              -0.00002113076174
                2p
                   -1 :              -0.00002205315835
                   +0 :               0.00009281605715
                   +1 :              -0.00003776410818
                3p
                   -1 :               0.00005653235920
                   +0 :              -0.00001620576684
                   +1 :              -0.00000324792191
                3d
                   -2 :              -0.00000068452072
                   -1 :               0.00000564252730
                   +0 :               0.00000229458103
                   +1 :              -0.00000181136097
                   +2 :              -0.00000110047579
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00001466653747
                2s
                   +0 :              -0.00007118807930
                3s
                   +0 :               0.00004920788991
                2p
                   -1 :              -0.00007742979072
                   +0 :              -0.00020066421870
                   +1 :              -0.00009095250565
                3p
                   -1 :               0.00008390027479
                   +0 :               0.00007145602590
                   +1 :               0.00009455081235
                3d
                   -2 :               0.00000487379019
                   -1 :              -0.00000296884985
                   +0 :              -0.00001069727376
                   +1 :               0.00000620246955
                   +2 :              -0.00001192213811
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000559344733
                2s
                   +0 :               0.00001616734365
                3s
                   +0 :              -0.00002721422957
                2p
                   -1 :              -0.00002982874085
                   +0 :              -0.00000043384903
                   +1 :              -0.00000125425947
                3p
                   -1 :               0.00000947428996
                   +0 :               0.00002561446273
                   +1 :               0.00002161997515
                3d
                   -2 :               0.00000045263136
                   -1 :              -0.00000071989749
                   +0 :              -0.00000556322659
                   +1 :              -0.00000484941284
                   +2 :               0.00000097106012
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001992645640
                2s
                   +0 :               0.00013003236329
                3s
                   +0 :              -0.00005061856662
                2p
                   -1 :              -0.00001206873626
                   +0 :              -0.00011070390996
                   +1 :              -0.00000096226776
                3p
                   -1 :              -0.00001370069992
                   +0 :               0.00003115053415
                   +1 :               0.00002852372140
                3d
                   -2 :              -0.00000478267724
                   -1 :              -0.00000046312598
                   +0 :               0.00000251096303
                   +1 :              -0.00000349227738
                   +2 :               0.00000567942355
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000457656378
                2s
                   +0 :               0.00001352785069
                3s
                   +0 :              -0.00002073593367
                2p
                   -1 :               0.00002590923602
                   +0 :              -0.00004688812889
                   +1 :              -0.00006447474496
                3p
                   -1 :              -0.00004199411217
                   +0 :               0.00002622388014
                   +1 :               0.00004384890522
                3d
                   -2 :               0.00000107765466
                   -1 :               0.00000065585190
                   +0 :              -0.00000108343273
                   +1 :              -0.00000062147566
                   +2 :              -0.00000040021191
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 16)  npairs=  14
              1 vec=     2.802933     -1.376012     -4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00116910324710
                2s
                   +0 :              -0.00885950189432
                3s
                   +0 :              -0.00364847498595
                2p
                   -1 :              -0.00163873182458
                   +0 :               0.01065250315967
                   +1 :              -0.00060163904230
                3p
                   -1 :              -0.00126998108337
                   +0 :              -0.00112242011370
                   +1 :              -0.00783087781756
                3d
                   -2 :              -0.00014060708624
                   -1 :               0.00014713519301
                   +0 :               0.00003857307057
                   +1 :               0.00147322951918
                   +2 :              -0.00089885930972
              2 vec=    -4.977229      3.115867     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00076645759378
                2s
                   +0 :               0.00737987375609
                3s
                   +0 :              -0.00327729988935
                2p
                   -1 :               0.00781860894785
                   +0 :              -0.00725266331577
                   +1 :              -0.00860242940492
                3p
                   -1 :              -0.00704454212971
                   +0 :               0.00467653594196
                   +1 :               0.00596560468237
                3d
                   -2 :               0.00062526035423
                   -1 :               0.00045843968960
                   +0 :              -0.00020185867934
                   +1 :              -0.00050544034544
                   +2 :              -0.00020311114142
              3 vec=    -4.977229     -5.867891     -4.091257   |vec|=    8.714548
                1s
                   +0 :               0.00028432305363
                2s
                   +0 :              -0.00166994460061
                3s
                   +0 :               0.00063935162423
                2p
                   -1 :              -0.00081644077302
                   +0 :               0.00333568040981
                   +1 :               0.00204396840936
                3p
                   -1 :               0.00030078428774
                   +0 :              -0.00024602852843
                   +1 :              -0.00079960000609
                3d
                   -2 :               0.00001461636895
                   -1 :               0.00008695884367
                   +0 :              -0.00022229919905
                   +1 :              -0.00015111183511
                   +2 :               0.00004296450450
              4 vec=     2.802933      7.607746     -4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00014016916422
                2s
                   +0 :               0.00067237983753
                3s
                   +0 :               0.00005363263088
                2p
                   -1 :               0.00111986798675
                   +0 :              -0.00179794620630
                   +1 :              -0.00194438163441
                3p
                   -1 :              -0.00043106213842
                   +0 :              -0.00000959094787
                   +1 :               0.00176138712485
                3d
                   -2 :               0.00003531616764
                   -1 :              -0.00008151278575
                   +0 :               0.00005490520092
                   +1 :               0.00001522408881
                   +2 :              -0.00005146099988
              5 vec=     2.802933    -10.359770     -4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00022440097847
                2s
                   +0 :               0.00094027035471
                3s
                   +0 :              -0.00084305432984
                2p
                   -1 :              -0.00097296009779
                   +0 :               0.00047875201615
                   +1 :               0.00095136830309
                3p
                   -1 :               0.00127919912940
                   +0 :               0.00001059774776
                   +1 :              -0.00092571238483
                3d
                   -2 :               0.00007480336939
                   -1 :               0.00001409068629
                   +0 :              -0.00000677894066
                   +1 :              -0.00003061925024
                   +2 :               0.00003483142823
              6 vec=    10.583096      3.115867     -4.091257   |vec|=   11.766432
                1s
                   +0 :               0.00002336406486
                2s
                   +0 :              -0.00022175304727
                3s
                   +0 :               0.00017646191839
                2p
                   -1 :               0.00000053143805
                   +0 :              -0.00020315175314
                   +1 :              -0.00009787734312
                3p
                   -1 :              -0.00013644895181
                   +0 :               0.00018693677419
                   +1 :               0.00020489904071
                3d
                   -2 :               0.00000811253044
                   -1 :              -0.00000307365190
                   +0 :              -0.00004488323567
                   +1 :              -0.00000064949112
                   +2 :               0.00005332991551
              7 vec=    10.583096     -5.867891     -4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00004713871655
                2s
                   +0 :               0.00000537120700
                3s
                   +0 :              -0.00021453875565
                2p
                   -1 :               0.00001924930966
                   +0 :               0.00010607084970
                   +1 :               0.00064285283918
                3p
                   -1 :               0.00011187824414
                   +0 :               0.00003031083141
                   +1 :              -0.00060735556417
                3d
                   -2 :               0.00001464280094
                   -1 :              -0.00002723203339
                   +0 :               0.00000956337725
                   +1 :               0.00000026656153
                   +2 :               0.00000435305956
              8 vec=   -12.757392     -1.376012     -4.091257   |vec|=   13.467845
                1s
                   +0 :              -0.00006188889170
                2s
                   +0 :               0.00027912984887
                3s
                   +0 :              -0.00015444328917
                2p
                   -1 :               0.00043650888471
                   +0 :               0.00018473304572
                   +1 :              -0.00024319744354
                3p
                   -1 :              -0.00041589484322
                   +0 :              -0.00016840863579
                   +1 :               0.00029083331778
                3d
                   -2 :               0.00005191057362
                   -1 :               0.00000185945497
                   +0 :              -0.00000093509278
                   +1 :               0.00003831734836
                   +2 :              -0.00001904223562
              9 vec=    -4.977229     12.099625     -4.091257   |vec|=   13.708104
                1s
                   +0 :               0.00003700167929
                2s
                   +0 :               0.00023836152384
                3s
                   +0 :               0.00016400929215
                2p
                   -1 :               0.00063531532648
                   +0 :               0.00001396769175
                   +1 :              -0.00057967789246
                3p
                   -1 :              -0.00040683394607
                   +0 :              -0.00006903345413
                   +1 :               0.00044271874217
                3d
                   -2 :               0.00002702770728
                   -1 :               0.00003287360363
                   +0 :               0.00002086882934
                   +1 :              -0.00000282194571
                   +2 :              -0.00001173355680
             10 vec=   -12.757392      7.607746     -4.091257   |vec|=   15.406727
                1s
                   +0 :               0.00002868287907
                2s
                   +0 :              -0.00015755146797
                3s
                   +0 :               0.00014653307673
                2p
                   -1 :              -0.00005984023867
                   +0 :              -0.00000129649559
                   +1 :               0.00015844063699
                3p
                   -1 :               0.00004012323438
                   +0 :              -0.00002429365296
                   +1 :              -0.00018726612148
                3d
                   -2 :              -0.00000285711877
                   -1 :               0.00000741116319
                   +0 :               0.00000755209399
                   +1 :               0.00001020436353
                   +2 :               0.00001159658600
             11 vec=    -4.977229    -14.851649     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000059097988
                2s
                   +0 :              -0.00005736750558
                3s
                   +0 :              -0.00005696782239
                2p
                   -1 :              -0.00011601141530
                   +0 :               0.00006292088281
                   +1 :               0.00007446320728
                3p
                   -1 :               0.00024519552750
                   +0 :               0.00003268498335
                   +1 :              -0.00001628429303
                3d
                   -2 :              -0.00001388523628
                   -1 :              -0.00001004300895
                   +0 :               0.00001478045440
                   +1 :               0.00000152443429
                   +2 :               0.00001656186619
             12 vec=    10.583096     12.099625     -4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00000322823219
                2s
                   +0 :               0.00007427888317
                3s
                   +0 :              -0.00001636838394
                2p
                   -1 :              -0.00001874349384
                   +0 :               0.00009468156841
                   +1 :               0.00002795584896
                3p
                   -1 :               0.00005253656515
                   +0 :              -0.00009292688140
                   +1 :               0.00003002412329
                3d
                   -2 :               0.00000839301660
                   -1 :               0.00000206054928
                   +0 :               0.00000040363062
                   +1 :               0.00000588293295
                   +2 :              -0.00001314392841
             13 vec=   -12.757392    -10.359770     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00002191275290
                2s
                   +0 :              -0.00013641656294
                3s
                   +0 :               0.00005607301998
                2p
                   -1 :               0.00008826264855
                   +0 :              -0.00007420036190
                   +1 :               0.00006679595339
                3p
                   -1 :              -0.00005715055806
                   +0 :               0.00005427772982
                   +1 :              -0.00002519045317
                3d
                   -2 :               0.00000052981750
                   -1 :               0.00000220814105
                   +0 :              -0.00000066691394
                   +1 :              -0.00000056997535
                   +2 :              -0.00000210852191
             14 vec=     2.802933     16.591504     -4.091257   |vec|=   17.316836
                1s
                   +0 :              -0.00001667178660
                2s
                   +0 :               0.00014580367959
                3s
                   +0 :              -0.00004366181930
                2p
                   -1 :               0.00012475454813
                   +0 :              -0.00006526102498
                   +1 :              -0.00009574653179
                3p
                   -1 :              -0.00005140211836
                   +0 :               0.00003838097701
                   +1 :               0.00008080344497
                3d
                   -2 :               0.00000132245703
                   -1 :               0.00000289795942
                   +0 :              -0.00000022150439
                   +1 :              -0.00000436131334
                   +2 :              -0.00000550393233
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 17)  npairs=  14
              1 vec=    -0.209546      3.115867     -4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00167009395382
                2s
                   +0 :               0.04278425037719
                3s
                   +0 :              -0.00262786088204
                2p
                   -1 :               0.01572449234054
                   +0 :              -0.02434610752698
                   +1 :               0.00358460346198
                3p
                   -1 :              -0.00276712942619
                   +0 :              -0.00120739999886
                   +1 :              -0.00306389210763
                3d
                   -2 :              -0.00027893200250
                   -1 :              -0.00190739749057
                   +0 :               0.00181427467663
                   +1 :               0.00053653326942
                   +2 :              -0.00042433766147
              2 vec=    -0.209546     -5.867891     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00170507567420
                2s
                   +0 :              -0.01060142431089
                3s
                   +0 :               0.00568457187845
                2p
                   -1 :               0.01067173360780
                   +0 :               0.00024673702448
                   +1 :              -0.00102896285839
                3p
                   -1 :              -0.00835015865083
                   +0 :               0.00067971044472
                   +1 :               0.00128130563107
                3d
                   -2 :              -0.00011289729671
                   -1 :               0.00026609280019
                   +0 :              -0.00028609089060
                   +1 :               0.00003951328577
                   +2 :              -0.00055256188497
              3 vec=     7.570617     -1.376012     -4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00018579921394
                2s
                   +0 :              -0.00100810370679
                3s
                   +0 :               0.00036010894110
                2p
                   -1 :               0.00054097202755
                   +0 :              -0.00248411740359
                   +1 :              -0.00246776761146
                3p
                   -1 :              -0.00065210803428
                   +0 :               0.00104129660189
                   +1 :               0.00107359572256
                3d
                   -2 :              -0.00008924071203
                   -1 :               0.00019080073826
                   +0 :               0.00010013119731
                   +1 :              -0.00004661122875
                   +2 :              -0.00004272496849
              4 vec=    -7.989708     -1.376012     -4.091257   |vec|=    9.081147
                1s
                   +0 :              -0.00000904475662
                2s
                   +0 :              -0.00008423225842
                3s
                   +0 :               0.00001896154872
                2p
                   -1 :              -0.00067846276608
                   +0 :              -0.00088841840976
                   +1 :               0.00359158505227
                3p
                   -1 :               0.00035646500652
                   +0 :               0.00012301153311
                   +1 :              -0.00286887311707
                3d
                   -2 :               0.00000189205471
                   -1 :              -0.00007337360125
                   +0 :              -0.00000829299112
                   +1 :               0.00007126221615
                   +2 :               0.00007563290255
              5 vec=     7.570617      7.607746     -4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00015696187904
                2s
                   +0 :               0.00130996450860
                3s
                   +0 :              -0.00056300079193
                2p
                   -1 :               0.00057325677396
                   +0 :              -0.00007958127292
                   +1 :               0.00121526854762
                3p
                   -1 :              -0.00036653674832
                   +0 :              -0.00011244995740
                   +1 :              -0.00085640709268
                3d
                   -2 :              -0.00003294491379
                   -1 :              -0.00006047047237
                   +0 :              -0.00002274917937
                   +1 :               0.00000974432066
                   +2 :              -0.00004877687420
              6 vec=    -7.989708      7.607746     -4.091257   |vec|=   11.766547
                1s
                   +0 :              -0.00002737542868
                2s
                   +0 :               0.00022996416114
                3s
                   +0 :               0.00003225127131
                2p
                   -1 :              -0.00065609824553
                   +0 :              -0.00017253839202
                   +1 :              -0.00018293209015
                3p
                   -1 :               0.00062294849396
                   +0 :               0.00003119403930
                   +1 :              -0.00005557051762
                3d
                   -2 :              -0.00009415600819
                   -1 :               0.00004387544031
                   +0 :              -0.00001678297225
                   +1 :               0.00001951320956
                   +2 :              -0.00002697239629
              7 vec=    -0.209546     12.099625     -4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00004307574654
                2s
                   +0 :               0.00080755340058
                3s
                   +0 :              -0.00013049311371
                2p
                   -1 :               0.00014300452428
                   +0 :               0.00010721322371
                   +1 :               0.00036046389762
                3p
                   -1 :              -0.00002787539031
                   +0 :              -0.00013560436846
                   +1 :              -0.00023639885845
                3d
                   -2 :              -0.00003439489677
                   -1 :              -0.00000198222515
                   +0 :               0.00002188836236
                   +1 :              -0.00001742964534
                   +2 :               0.00000431800622
              8 vec=     7.570617    -10.359770     -4.091257   |vec|=   13.467645
                1s
                   +0 :               0.00002349349485
                2s
                   +0 :              -0.00059012908319
                3s
                   +0 :              -0.00001347135585
                2p
                   -1 :              -0.00025288686455
                   +0 :               0.00049977992156
                   +1 :              -0.00074711110356
                3p
                   -1 :               0.00018743618120
                   +0 :              -0.00007763762440
                   +1 :               0.00056571388823
                3d
                   -2 :              -0.00000176440413
                   -1 :               0.00000069248485
                   +0 :              -0.00001648010905
                   +1 :               0.00001702564878
                   +2 :               0.00002170280033
              9 vec=    -7.989708    -10.359770     -4.091257   |vec|=   13.707613
                1s
                   +0 :               0.00006584610919
                2s
                   +0 :              -0.00072426867394
                3s
                   +0 :               0.00009231695803
                2p
                   -1 :               0.00012800824547
                   +0 :               0.00043909521556
                   +1 :              -0.00008503511843
                3p
                   -1 :              -0.00011490093683
                   +0 :              -0.00005128132845
                   +1 :               0.00022124054507
                3d
                   -2 :               0.00001955523699
                   -1 :               0.00002235135019
                   +0 :              -0.00002235033278
                   +1 :              -0.00003026238452
                   +2 :              -0.00001313483579
             10 vec=    -0.209546    -14.851649     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00004543748286
                2s
                   +0 :              -0.00032882800061
                3s
                   +0 :               0.00008851960164
                2p
                   -1 :               0.00019177856688
                   +0 :               0.00012668279399
                   +1 :               0.00004062034654
                3p
                   -1 :              -0.00004805831072
                   +0 :              -0.00005984772640
                   +1 :              -0.00003303873059
                3d
                   -2 :               0.00001261555910
                   -1 :               0.00000070319915
                   +0 :              -0.00000340777617
                   +1 :               0.00000157356448
                   +2 :               0.00000855190019
             11 vec=    15.350780      3.115867     -4.091257   |vec|=   16.189300
                1s
                   +0 :              -0.00001311808939
                2s
                   +0 :               0.00009935708994
                3s
                   +0 :              -0.00005882230852
                2p
                   -1 :              -0.00000703572437
                   +0 :              -0.00005476523765
                   +1 :               0.00008142391985
                3p
                   -1 :              -0.00001936317165
                   +0 :               0.00004613105211
                   +1 :              -0.00004135027181
                3d
                   -2 :              -0.00000255841445
                   -1 :               0.00000357040752
                   +0 :              -0.00000866844821
                   +1 :               0.00000702098127
                   +2 :               0.00000232379406
             12 vec=   -15.769871      3.115867     -4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00000949112654
                2s
                   +0 :               0.00006446771194
                3s
                   +0 :              -0.00001961348119
                2p
                   -1 :              -0.00001890096460
                   +0 :               0.00004120001963
                   +1 :              -0.00006978769753
                3p
                   -1 :               0.00000025218064
                   +0 :              -0.00004614759293
                   +1 :               0.00002727456588
                3d
                   -2 :              -0.00000705669742
                   -1 :               0.00000044669751
                   +0 :              -0.00000467340852
                   +1 :               0.00000573324925
                   +2 :               0.00000176440993
             13 vec=    15.350780     -5.867891     -4.091257   |vec|=   16.935671
                1s
                   +0 :               0.00001094565343
                2s
                   +0 :              -0.00008125512809
                3s
                   +0 :               0.00001359485156
                2p
                   -1 :              -0.00004316463665
                   +0 :              -0.00001466001600
                   +1 :              -0.00008453862437
                3p
                   -1 :               0.00004156196280
                   +0 :               0.00002656031569
                   +1 :               0.00004174333287
                3d
                   -2 :               0.00000784433151
                   -1 :               0.00000188699336
                   +0 :              -0.00000182708522
                   +1 :              -0.00000318097339
                   +2 :               0.00000359629922
             14 vec=   -15.769871     -5.867891     -4.091257   |vec|=   17.316448
                1s
                   +0 :              -0.00000711347011
                2s
                   +0 :               0.00001526973330
                3s
                   +0 :              -0.00003222312919
                2p
                   -1 :              -0.00006838824969
                   +0 :               0.00001458694117
                   +1 :               0.00000628480247
                3p
                   -1 :               0.00007439965333
                   +0 :               0.00000726298720
                   +1 :               0.00002362572197
                3d
                   -2 :              -0.00000745139651
                   -1 :              -0.00000273181465
                   +0 :              -0.00000214857352
                   +1 :               0.00000249779634
                   +2 :               0.00000217365083
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 18)  npairs=  14
              1 vec=    -2.593388     -1.013068     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00018015234014
                2s
                   +0 :              -0.01587467963246
                3s
                   +0 :              -0.00018878459094
                2p
                   -1 :              -0.00613670058303
                   +0 :               0.01338608173424
                   +1 :               0.00503073168476
                3p
                   -1 :              -0.00044927611955
                   +0 :              -0.00432529073501
                   +1 :               0.00394270979188
                3d
                   -2 :               0.00042043068429
                   -1 :               0.00116137171006
                   +0 :               0.00018691107179
                   +1 :              -0.00057656560686
                   +2 :              -0.00110545765580
              2 vec=     5.186775      3.478811     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00021210077638
                2s
                   +0 :              -0.00113325848887
                3s
                   +0 :               0.00072243503649
                2p
                   -1 :              -0.00115329547943
                   +0 :               0.00244357016390
                   +1 :               0.00334249687717
                3p
                   -1 :               0.00128503929116
                   +0 :              -0.00284868390153
                   +1 :              -0.00201187488375
                3d
                   -2 :              -0.00010380885326
                   -1 :               0.00018003920570
                   +0 :               0.00017131034613
                   +1 :               0.00014629476682
                   +2 :              -0.00011121034837
              3 vec=     5.186775     -5.504947     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00050709057221
                2s
                   +0 :              -0.00262236625990
                3s
                   +0 :               0.00116987223465
                2p
                   -1 :               0.00099296978281
                   +0 :               0.00236295452457
                   +1 :              -0.00223191103435
                3p
                   -1 :              -0.00086294301667
                   +0 :              -0.00004748769417
                   +1 :               0.00128777885106
                3d
                   -2 :              -0.00019272664631
                   -1 :               0.00024462891450
                   +0 :              -0.00030227094936
                   +1 :              -0.00005310045201
                   +2 :               0.00005045323580
              4 vec=    -2.593388      7.970690     -4.091257   |vec|=    9.327161
                1s
                   +0 :              -0.00057713452338
                2s
                   +0 :               0.00353521321313
                3s
                   +0 :              -0.00114250430169
                2p
                   -1 :               0.00068660306144
                   +0 :              -0.00181515721093
                   +1 :              -0.00025054112434
                3p
                   -1 :               0.00038236953823
                   +0 :               0.00049551797624
                   +1 :               0.00004507330720
                3d
                   -2 :               0.00002273418612
                   -1 :               0.00004098580773
                   +0 :               0.00011174696402
                   +1 :              -0.00015368518655
                   +2 :               0.00007366551054
              5 vec=    -2.593388     -9.996826     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00012550977420
                2s
                   +0 :               0.00005797806645
                3s
                   +0 :              -0.00029894427955
                2p
                   -1 :               0.00122210102163
                   +0 :               0.00080866258447
                   +1 :               0.00102591618932
                3p
                   -1 :              -0.00070099345881
                   +0 :              -0.00023657380310
                   +1 :              -0.00084144574105
                3d
                   -2 :               0.00007888994784
                   -1 :              -0.00002045200962
                   +0 :              -0.00017827108964
                   +1 :              -0.00002237993153
                   +2 :              -0.00008159273505
              6 vec=   -10.373550      3.478811     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00002622611150
                2s
                   +0 :               0.00021354476624
                3s
                   +0 :              -0.00001276827026
                2p
                   -1 :               0.00002510975574
                   +0 :              -0.00002162472601
                   +1 :              -0.00019115688827
                3p
                   -1 :              -0.00004285271490
                   +0 :               0.00000976267829
                   +1 :               0.00005292310496
                3d
                   -2 :              -0.00003398977008
                   -1 :               0.00003943651879
                   +0 :              -0.00003237814197
                   +1 :               0.00005873683411
                   +2 :               0.00009523725558
              7 vec=   -10.373550     -5.504947     -4.091257   |vec|=   12.435971
                1s
                   +0 :              -0.00001309637593
                2s
                   +0 :              -0.00021672978557
                3s
                   +0 :              -0.00013922900951
                2p
                   -1 :              -0.00023906339900
                   +0 :               0.00051821285442
                   +1 :               0.00008321102217
                3p
                   -1 :               0.00032495595521
                   +0 :              -0.00023987125721
                   +1 :              -0.00000920123260
                3d
                   -2 :              -0.00002142819193
                   -1 :               0.00000987877658
                   +0 :               0.00002819674986
                   +1 :               0.00001703476417
                   +2 :               0.00003056603774
              8 vec=    12.966938     -1.013068     -4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00004074517619
                2s
                   +0 :              -0.00029012489038
                3s
                   +0 :               0.00006896977532
                2p
                   -1 :              -0.00008907319239
                   +0 :              -0.00028024687608
                   +1 :              -0.00032791294930
                3p
                   -1 :              -0.00003274835906
                   +0 :               0.00022958037046
                   +1 :               0.00008592446815
                3d
                   -2 :              -0.00001367752984
                   -1 :               0.00002347547385
                   +0 :               0.00001547062775
                   +1 :               0.00001062390830
                   +2 :              -0.00002754414766
              9 vec=     5.186775     12.462569     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00009474432261
                2s
                   +0 :               0.00085417414196
                3s
                   +0 :              -0.00021358280950
                2p
                   -1 :               0.00035428832578
                   +0 :              -0.00019242136407
                   +1 :              -0.00008487161004
                3p
                   -1 :              -0.00011252779115
                   +0 :              -0.00000003932005
                   +1 :               0.00009568554971
                3d
                   -2 :              -0.00000081396748
                   -1 :               0.00000625257371
                   +0 :               0.00000953045604
                   +1 :              -0.00000992706852
                   +2 :               0.00002006865526
             10 vec=    12.966938      7.970690     -4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000556988432
                2s
                   +0 :               0.00005741178263
                3s
                   +0 :              -0.00001455745102
                2p
                   -1 :              -0.00010233999784
                   +0 :              -0.00012180185798
                   +1 :               0.00005180773433
                3p
                   -1 :               0.00006187627183
                   +0 :               0.00006672362299
                   +1 :              -0.00002821017423
                3d
                   -2 :               0.00000991502847
                   -1 :              -0.00000569743193
                   +0 :              -0.00000133550487
                   +1 :               0.00000492726973
                   +2 :               0.00000573197181
             11 vec=     5.186775    -14.488705     -4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00009194487385
                2s
                   +0 :              -0.00061192632679
                3s
                   +0 :               0.00026716850601
                2p
                   -1 :               0.00040389674380
                   +0 :               0.00014899622536
                   +1 :              -0.00005940941258
                3p
                   -1 :              -0.00022707565911
                   +0 :              -0.00008958521267
                   +1 :              -0.00002966049812
                3d
                   -2 :               0.00000585074544
                   -1 :               0.00001161963957
                   +0 :               0.00001597144256
                   +1 :               0.00000435907275
                   +2 :              -0.00000922041811
             12 vec=   -10.373550     12.462569     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00002059980583
                2s
                   +0 :               0.00015957792740
                3s
                   +0 :              -0.00005942049110
                2p
                   -1 :               0.00032200004581
                   +0 :              -0.00005257589767
                   +1 :              -0.00014986460512
                3p
                   -1 :              -0.00027728600003
                   +0 :               0.00003712804115
                   +1 :               0.00008558089677
                3d
                   -2 :               0.00001404715297
                   -1 :               0.00001192263715
                   +0 :               0.00000620821049
                   +1 :               0.00000454123067
                   +2 :               0.00000898619420
             13 vec=    12.966938     -9.996826     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00002444983249
                2s
                   +0 :              -0.00017254181657
                3s
                   +0 :               0.00006437435927
                2p
                   -1 :               0.00008588041584
                   +0 :               0.00004067353031
                   +1 :               0.00000555578322
                3p
                   -1 :              -0.00002555084606
                   +0 :              -0.00001580478910
                   +1 :              -0.00004136221567
                3d
                   -2 :              -0.00000653829060
                   -1 :               0.00000289058718
                   +0 :               0.00000266360176
                   +1 :              -0.00000370656845
                   +2 :              -0.00000700407077
             14 vec=    -2.593388     16.954448     -4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00001321778133
                2s
                   +0 :               0.00009627839621
                3s
                   +0 :              -0.00001952565757
                2p
                   -1 :               0.00002854658156
                   +0 :              -0.00001776353857
                   +1 :               0.00002127108333
                3p
                   -1 :               0.00002253292471
                   +0 :              -0.00000996112260
                   +1 :              -0.00000807770118
                3d
                   -2 :               0.00000719785285
                   -1 :              -0.00000084902540
                   +0 :              -0.00000239818440
                   +1 :              -0.00000488768993
                   +2 :               0.00000218136001
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 19)  npairs=  15
              1 vec=    -2.802674     -4.128785     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00009884288441
                2s
                   +0 :              -0.00060921244650
                3s
                   +0 :               0.00011052522997
                2p
                   -1 :              -0.00261114716714
                   +0 :               0.00101231059992
                   +1 :               0.00112510967477
                3p
                   -1 :               0.00220742603340
                   +0 :              -0.00084368764501
                   +1 :              -0.00137642931107
                3d
                   -2 :              -0.00000466135033
                   -1 :              -0.00017942396761
                   +0 :               0.00000601861376
                   +1 :               0.00015687494216
                   +2 :               0.00000768713691
              2 vec=     4.977489      0.363094     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00046359836050
                2s
                   +0 :              -0.00349753915823
                3s
                   +0 :               0.00115326639769
                2p
                   -1 :              -0.00075676496212
                   +0 :               0.00290944514161
                   +1 :              -0.00081671075184
                3p
                   -1 :              -0.00019486353334
                   +0 :              -0.00095578163679
                   +1 :              -0.00015561107587
                3d
                   -2 :              -0.00018825361027
                   -1 :               0.00004921265497
                   +0 :              -0.00003165475038
                   +1 :               0.00007153056260
                   +2 :               0.00000414687463
              3 vec=    -2.802674      4.854973     -8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00036568477986
                2s
                   +0 :               0.00313448552699
                3s
                   +0 :              -0.00057595525978
                2p
                   -1 :               0.00163607513436
                   +0 :              -0.00155675678832
                   +1 :              -0.00303188538498
                3p
                   -1 :              -0.00086106471993
                   +0 :              -0.00048094775689
                   +1 :               0.00123038380059
                3d
                   -2 :              -0.00001157934398
                   -1 :               0.00009722498282
                   +0 :               0.00007816582903
                   +1 :               0.00007664395965
                   +2 :               0.00011560924195
              4 vec=     4.977489     -8.620664     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00012342529299
                2s
                   +0 :              -0.00108057629889
                3s
                   +0 :               0.00041605310710
                2p
                   -1 :               0.00049391181508
                   +0 :               0.00032986120287
                   +1 :               0.00015509454819
                3p
                   -1 :              -0.00034671079168
                   +0 :              -0.00010487142057
                   +1 :              -0.00008619063945
                3d
                   -2 :              -0.00003113736917
                   -1 :               0.00003865770705
                   +0 :              -0.00002948795805
                   +1 :              -0.00000275472646
                   +2 :              -0.00003695210783
              5 vec=   -10.582837      0.363094     -8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00004262275848
                2s
                   +0 :               0.00018131711597
                3s
                   +0 :              -0.00009389197807
                2p
                   -1 :               0.00023972140854
                   +0 :              -0.00014702867515
                   +1 :              -0.00004625403885
                3p
                   -1 :              -0.00025909087913
                   +0 :               0.00002329415905
                   +1 :               0.00005763383873
                3d
                   -2 :               0.00000971308543
                   -1 :               0.00005604143050
                   +0 :              -0.00003295135947
                   +1 :               0.00001211083263
                   +2 :              -0.00000845147169
              6 vec=     4.977489      9.346852     -8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00005916296713
                2s
                   +0 :               0.00083387837399
                3s
                   +0 :              -0.00014822067828
                2p
                   -1 :               0.00033291024216
                   +0 :              -0.00043493602219
                   +1 :               0.00004533307687
                3p
                   -1 :              -0.00009421617892
                   +0 :               0.00020858952084
                   +1 :               0.00016583389496
                3d
                   -2 :               0.00002569240482
                   -1 :               0.00001545275057
                   +0 :              -0.00001077072056
                   +1 :              -0.00000170276970
                   +2 :               0.00001702291972
              7 vec=    -2.802674    -13.112543     -8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00000389725090
                2s
                   +0 :              -0.00007098125400
                3s
                   +0 :              -0.00002935907071
                2p
                   -1 :              -0.00006696678166
                   +0 :               0.00002568275235
                   +1 :               0.00003214899770
                3p
                   -1 :               0.00015341262952
                   +0 :               0.00008916877416
                   +1 :              -0.00002968457699
                3d
                   -2 :              -0.00001423392744
                   -1 :              -0.00000411239409
                   +0 :              -0.00000117198687
                   +1 :              -0.00002215178157
                   +2 :              -0.00001263846765
              8 vec=    12.757651     -4.128785     -8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00003356411141
                2s
                   +0 :              -0.00025549133661
                3s
                   +0 :               0.00011342954250
                2p
                   -1 :               0.00010414540218
                   +0 :               0.00009710337552
                   +1 :              -0.00017303589027
                3p
                   -1 :              -0.00010832811224
                   +0 :              -0.00010143310113
                   +1 :               0.00006708670875
                3d
                   -2 :              -0.00000774816732
                   -1 :               0.00001044502562
                   +0 :               0.00000768451327
                   +1 :              -0.00000289658893
                   +2 :              -0.00000744701872
              9 vec=   -10.582837     -8.620664     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00002741061591
                2s
                   +0 :              -0.00021653260432
                3s
                   +0 :               0.00005676968627
                2p
                   -1 :              -0.00002954308131
                   +0 :               0.00003623849367
                   +1 :               0.00021754884319
                3p
                   -1 :               0.00003493908538
                   +0 :               0.00006688542484
                   +1 :              -0.00013538367861
                3d
                   -2 :               0.00000607309420
                   -1 :              -0.00001149678233
                   +0 :              -0.00000099002960
                   +1 :              -0.00000671592333
                   +2 :               0.00001144269747
             10 vec=    12.757651      4.854973     -8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00002031546292
                2s
                   +0 :              -0.00010310578050
                3s
                   +0 :               0.00007217452023
                2p
                   -1 :              -0.00003205228516
                   +0 :               0.00000017881860
                   +1 :              -0.00003392890925
                3p
                   -1 :               0.00003203397807
                   +0 :               0.00001416930683
                   +1 :               0.00005628903617
                3d
                   -2 :               0.00000098191482
                   -1 :              -0.00000102235699
                   +0 :               0.00000066680568
                   +1 :               0.00000185953917
                   +2 :               0.00000316904341
             11 vec=   -10.582837      9.346852     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000409382465
                2s
                   +0 :               0.00006099795097
                3s
                   +0 :               0.00001427006307
                2p
                   -1 :              -0.00003585528903
                   +0 :               0.00004170200513
                   +1 :              -0.00011795450936
                3p
                   -1 :               0.00005194487610
                   +0 :              -0.00007552622897
                   +1 :               0.00004257305248
                3d
                   -2 :               0.00000415584687
                   -1 :              -0.00000556565297
                   +0 :               0.00000498187596
                   +1 :              -0.00000242106229
                   +2 :               0.00000063015460
             12 vec=    -2.802674     13.838731     -8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00001959939786
                2s
                   +0 :               0.00018109486282
                3s
                   +0 :              -0.00003799780763
                2p
                   -1 :               0.00020136222934
                   +0 :              -0.00013528246716
                   +1 :              -0.00010727719628
                3p
                   -1 :              -0.00007550989088
                   +0 :               0.00005620984909
                   +1 :               0.00008376358130
                3d
                   -2 :               0.00000332307539
                   -1 :               0.00000705427943
                   +0 :              -0.00000101487132
                   +1 :              -0.00000726511204
                   +2 :               0.00000325513830
             13 vec=    -2.802674     -4.128785     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000945631675
                2s
                   +0 :               0.00005285071021
                3s
                   +0 :              -0.00003506473850
                2p
                   -1 :              -0.00012700671056
                   +0 :               0.00012759402986
                   +1 :              -0.00001263438775
                3p
                   -1 :               0.00009063831264
                   +0 :              -0.00010614200189
                   +1 :               0.00003163256610
                3d
                   -2 :               0.00000366662975
                   -1 :               0.00000440469056
                   +0 :               0.00000267964225
                   +1 :              -0.00000059459951
                   +2 :               0.00000012901985
             14 vec=     4.977489      0.363094     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000334102260
                2s
                   +0 :               0.00005393964689
                3s
                   +0 :              -0.00000708906413
                2p
                   -1 :              -0.00005731331153
                   +0 :               0.00005488624574
                   +1 :              -0.00000958271285
                3p
                   -1 :               0.00001962006576
                   +0 :              -0.00001118615047
                   +1 :              -0.00000507827379
                3d
                   -2 :               0.00000228172827
                   -1 :              -0.00000192940200
                   +0 :               0.00000544966927
                   +1 :              -0.00000033256160
                   +2 :              -0.00000079173114
             15 vec=    -2.802674      4.854973     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000835304483
                2s
                   +0 :               0.00003684017523
                3s
                   +0 :              -0.00001452214679
                2p
                   -1 :              -0.00005558622319
                   +0 :               0.00004070910685
                   +1 :              -0.00007594395333
                3p
                   -1 :               0.00003997813142
                   +0 :              -0.00003826926293
                   +1 :               0.00004670590919
                3d
                   -2 :               0.00000448639180
                   -1 :               0.00000254497594
                   +0 :               0.00000207922001
                   +1 :               0.00000077425444
                   +2 :              -0.00000432577838
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 20)  npairs=  14
              1 vec=     0.209286      0.363094     -8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00020223353375
                2s
                   +0 :               0.00123665255593
                3s
                   +0 :              -0.00028058710196
                2p
                   -1 :              -0.00260886627966
                   +0 :              -0.00200695635955
                   +1 :               0.00221325581913
                3p
                   -1 :               0.00111284883407
                   +0 :               0.00110430641134
                   +1 :              -0.00187934077739
                3d
                   -2 :               0.00002448635638
                   -1 :              -0.00008384291514
                   +0 :              -0.00004437598860
                   +1 :               0.00010413563201
                   +2 :              -0.00008649688150
              2 vec=     0.209286     -8.620664     -8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00012575541886
                2s
                   +0 :               0.00070014027739
                3s
                   +0 :              -0.00034354284308
                2p
                   -1 :               0.00152908737416
                   +0 :              -0.00060403924328
                   +1 :               0.00000809062122
                3p
                   -1 :              -0.00144195458941
                   +0 :               0.00038476692877
                   +1 :               0.00002987868682
                3d
                   -2 :              -0.00002407808926
                   -1 :               0.00007283617408
                   +0 :              -0.00003139170767
                   +1 :              -0.00007248162662
                   +2 :              -0.00010463465556
              3 vec=    -7.570876     -4.128785     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00007766310375
                2s
                   +0 :               0.00023076596929
                3s
                   +0 :              -0.00037903774108
                2p
                   -1 :              -0.00035825629704
                   +0 :               0.00015674072277
                   +1 :              -0.00029130466539
                3p
                   -1 :               0.00005965005216
                   +0 :               0.00021307468432
                   +1 :               0.00052931821941
                3d
                   -2 :               0.00002613393756
                   -1 :               0.00004066276577
                   +0 :               0.00001679093833
                   +1 :              -0.00005267308651
                   +2 :              -0.00005189596232
              4 vec=     7.989449     -4.128785     -8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00007382651318
                2s
                   +0 :              -0.00068889053676
                3s
                   +0 :               0.00009344310038
                2p
                   -1 :               0.00029779100298
                   +0 :               0.00027490498864
                   +1 :              -0.00068806497810
                3p
                   -1 :              -0.00046886152150
                   +0 :              -0.00001979886865
                   +1 :               0.00026700362145
                3d
                   -2 :              -0.00000135682143
                   -1 :               0.00001842603180
                   +0 :              -0.00001350386015
                   +1 :               0.00000422937216
                   +2 :              -0.00006194034316
              5 vec=    -7.570876      4.854973     -8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00019576843273
                2s
                   +0 :              -0.00101832767293
                3s
                   +0 :               0.00075768272275
                2p
                   -1 :               0.00003401906645
                   +0 :               0.00066237380029
                   +1 :               0.00086844732705
                3p
                   -1 :              -0.00011770439599
                   +0 :              -0.00059228446874
                   +1 :              -0.00103948793720
                3d
                   -2 :              -0.00002487563666
                   -1 :              -0.00001805721202
                   +0 :               0.00004528575242
                   +1 :               0.00014432183896
                   +2 :               0.00010236331060
              6 vec=     7.989449      4.854973     -8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00001653507767
                2s
                   +0 :               0.00016836603323
                3s
                   +0 :              -0.00005835192733
                2p
                   -1 :              -0.00031877613546
                   +0 :              -0.00049146088847
                   +1 :               0.00056840296814
                3p
                   -1 :               0.00017284850960
                   +0 :               0.00040127299969
                   +1 :              -0.00034093408451
                3d
                   -2 :               0.00000259446513
                   -1 :              -0.00000841572350
                   +0 :              -0.00001097256082
                   +1 :               0.00003681271922
                   +2 :              -0.00000803145079
              7 vec=     0.209286      9.346852     -8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00006623110434
                2s
                   +0 :               0.00091520294397
                3s
                   +0 :              -0.00012107425721
                2p
                   -1 :               0.00069125379536
                   +0 :              -0.00051550125088
                   +1 :               0.00016829562456
                3p
                   -1 :              -0.00029466512352
                   +0 :              -0.00001792212135
                   +1 :              -0.00014413030100
                3d
                   -2 :              -0.00001002962624
                   -1 :              -0.00002244133856
                   +0 :               0.00004619006084
                   +1 :               0.00003512727012
                   +2 :               0.00003138967362
              8 vec=     0.209286      0.363094     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00000413875363
                2s
                   +0 :               0.00001224050337
                3s
                   +0 :              -0.00000582291962
                2p
                   -1 :              -0.00003937126351
                   +0 :              -0.00003879967800
                   +1 :               0.00000680979468
                3p
                   -1 :               0.00002003551289
                   +0 :               0.00003660795582
                   +1 :              -0.00000495111559
                3d
                   -2 :              -0.00000895260198
                   -1 :               0.00000014782928
                   +0 :               0.00000298479745
                   +1 :               0.00000077518084
                   +2 :              -0.00000139251286
              9 vec=    -7.570876    -13.112543     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000714761228
                2s
                   +0 :               0.00000561600461
                3s
                   +0 :              -0.00007131857432
                2p
                   -1 :               0.00008796689621
                   +0 :               0.00007951860317
                   +1 :              -0.00006824297619
                3p
                   -1 :              -0.00000133315940
                   +0 :              -0.00002492388018
                   +1 :               0.00007600017922
                3d
                   -2 :              -0.00000588915032
                   -1 :               0.00000239449572
                   +0 :               0.00000368464506
                   +1 :              -0.00000283147418
                   +2 :              -0.00000131974070
             10 vec=     7.989449    -13.112543     -8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000181448495
                2s
                   +0 :              -0.00004327984266
                3s
                   +0 :              -0.00001830818491
                2p
                   -1 :               0.00001445405375
                   +0 :               0.00005397701518
                   +1 :               0.00008542771908
                3p
                   -1 :               0.00005039889762
                   +0 :               0.00000880936944
                   +1 :              -0.00010280373974
                3d
                   -2 :               0.00000673209660
                   -1 :              -0.00000365828140
                   +0 :               0.00000417984560
                   +1 :              -0.00000331797198
                   +2 :               0.00000444600747
             11 vec=   -15.351039      0.363094     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00000729714410
                2s
                   +0 :              -0.00005471563981
                3s
                   +0 :               0.00002237468092
                2p
                   -1 :              -0.00013497478025
                   +0 :               0.00005400794766
                   +1 :               0.00004170850920
                3p
                   -1 :               0.00009893448799
                   +0 :              -0.00003585815499
                   +1 :              -0.00002612908506
                3d
                   -2 :              -0.00000997633708
                   -1 :              -0.00000248802527
                   +0 :              -0.00000237714021
                   +1 :               0.00001093573799
                   +2 :               0.00000614910815
             12 vec=    15.769612      0.363094     -8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00001765987372
                2s
                   +0 :              -0.00011567754590
                3s
                   +0 :               0.00005267005499
                2p
                   -1 :              -0.00001008594626
                   +0 :               0.00000774403804
                   +1 :              -0.00003344470029
                3p
                   -1 :              -0.00001081053318
                   +0 :               0.00000917146408
                   +1 :               0.00001860390571
                3d
                   -2 :               0.00000097335817
                   -1 :               0.00000062966871
                   +0 :              -0.00000432481956
                   +1 :              -0.00000265786618
                   +2 :               0.00000275406880
             13 vec=    -7.570876     13.838731     -8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00000328359822
                2s
                   +0 :               0.00004040988456
                3s
                   +0 :               0.00002297617359
                2p
                   -1 :               0.00003079772308
                   +0 :               0.00001868372540
                   +1 :               0.00009880609882
                3p
                   -1 :               0.00001748100243
                   +0 :              -0.00004624876124
                   +1 :              -0.00012625743374
                3d
                   -2 :              -0.00000936944710
                   -1 :              -0.00000255864762
                   +0 :               0.00000907973054
                   +1 :               0.00000781573462
                   +2 :               0.00000202962663
             14 vec=     7.989449     13.838731     -8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00001584092592
                2s
                   +0 :               0.00013983151048
                3s
                   +0 :              -0.00004014807591
                2p
                   -1 :               0.00005076646636
                   +0 :              -0.00004726632635
                   +1 :               0.00008754475861
                3p
                   -1 :              -0.00000353609928
                   +0 :               0.00001818920105
                   +1 :              -0.00002412690704
                3d
                   -2 :               0.00000136980866
                   -1 :               0.00000154150124
                   +0 :               0.00000108851238
                   +1 :               0.00000136239056
                   +2 :               0.00000193512396
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 21)  npairs=  15
              1 vec=     2.593388     -4.491280     -8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00001019104739
                2s
                   +0 :              -0.00039343362980
                3s
                   +0 :              -0.00009799079377
                2p
                   -1 :              -0.00113955649393
                   +0 :               0.00018311190344
                   +1 :              -0.00037500295949
                3p
                   -1 :               0.00132744171374
                   +0 :               0.00028862273323
                   +1 :               0.00086917566140
                3d
                   -2 :              -0.00006261005045
                   -1 :              -0.00018635365300
                   +0 :               0.00006096257268
                   +1 :              -0.00003874011207
                   +2 :               0.00000865765229
              2 vec=    -5.186775      0.000599     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00018182751969
                2s
                   +0 :              -0.00192108142584
                3s
                   +0 :               0.00012294911863
                2p
                   -1 :               0.00007219033289
                   +0 :               0.00168079698272
                   +1 :               0.00039909084395
                3p
                   -1 :              -0.00042419674129
                   +0 :               0.00023454207739
                   +1 :               0.00057402076117
                3d
                   -2 :               0.00007624047384
                   -1 :              -0.00004932858451
                   +0 :              -0.00009034193445
                   +1 :              -0.00019469594757
                   +2 :              -0.00002189984648
              3 vec=     2.593388      4.492478     -8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00028754043569
                2s
                   +0 :               0.00232514646822
                3s
                   +0 :              -0.00027881457596
                2p
                   -1 :               0.00003773720141
                   +0 :              -0.00252858632219
                   +1 :               0.00110259303752
                3p
                   -1 :               0.00023525728213
                   +0 :               0.00026622419295
                   +1 :               0.00076281804120
                3d
                   -2 :               0.00010978816273
                   -1 :              -0.00001675652527
                   +0 :              -0.00000202350656
                   +1 :              -0.00028191490784
                   +2 :               0.00007262670904
              4 vec=    -5.186775     -8.983159     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00002034197282
                2s
                   +0 :              -0.00029675890322
                3s
                   +0 :              -0.00001715860882
                2p
                   -1 :               0.00059026313360
                   +0 :               0.00008280390505
                   +1 :              -0.00048463759572
                3p
                   -1 :              -0.00040177742305
                   +0 :               0.00017157580138
                   +1 :               0.00040305188391
                3d
                   -2 :               0.00004582359915
                   -1 :              -0.00000126123077
                   +0 :              -0.00003998157715
                   +1 :               0.00001519482571
                   +2 :              -0.00002096508028
              5 vec=    10.373550      0.000599     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001151396157
                2s
                   +0 :              -0.00000338758412
                3s
                   +0 :              -0.00006797932646
                2p
                   -1 :              -0.00024746019811
                   +0 :              -0.00007500481365
                   +1 :               0.00020807401317
                3p
                   -1 :               0.00019616228886
                   +0 :               0.00001129816882
                   +1 :              -0.00020627546518
                3d
                   -2 :              -0.00002219660592
                   -1 :               0.00001429118022
                   +0 :              -0.00000102771002
                   +1 :               0.00000528647693
                   +2 :              -0.00002126441866
              6 vec=    -5.186775      8.984357     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00001779292672
                2s
                   +0 :               0.00041341605875
                3s
                   +0 :               0.00007630253477
                2p
                   -1 :               0.00037545834216
                   +0 :              -0.00043858402960
                   +1 :              -0.00045552074115
                3p
                   -1 :              -0.00018284873305
                   +0 :               0.00038377695909
                   +1 :               0.00018415172571
                3d
                   -2 :               0.00000006714615
                   -1 :               0.00002844966192
                   +0 :              -0.00004856256650
                   +1 :              -0.00000299601557
                   +2 :              -0.00001633323383
              7 vec=     2.593388    -13.475038     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00001907047062
                2s
                   +0 :               0.00008463655263
                3s
                   +0 :              -0.00008601184624
                2p
                   -1 :              -0.00006960983230
                   +0 :               0.00032056212256
                   +1 :               0.00016498097358
                3p
                   -1 :               0.00011759261581
                   +0 :              -0.00022193123152
                   +1 :              -0.00013689705639
                3d
                   -2 :               0.00002097082936
                   -1 :               0.00000155893976
                   +0 :               0.00002683700596
                   +1 :               0.00001827334064
                   +2 :               0.00000836373955
              8 vec=    10.373550     -8.983159     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001277143395
                2s
                   +0 :               0.00001677374545
                3s
                   +0 :              -0.00004437263148
                2p
                   -1 :              -0.00014065905265
                   +0 :               0.00018532108011
                   +1 :              -0.00002245544865
                3p
                   -1 :               0.00012811676171
                   +0 :              -0.00007352955388
                   +1 :              -0.00002325051126
                3d
                   -2 :              -0.00000171755958
                   -1 :               0.00000702980432
                   +0 :              -0.00000464283935
                   +1 :               0.00000500747866
                   +2 :               0.00000627328392
              9 vec=   -12.966938     -4.491280     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000591298588
                2s
                   +0 :              -0.00002369506005
                3s
                   +0 :              -0.00002405064434
                2p
                   -1 :               0.00008446406926
                   +0 :              -0.00006277997072
                   +1 :               0.00016858953649
                3p
                   -1 :              -0.00008716779722
                   +0 :               0.00005643112208
                   +1 :              -0.00010714323649
                3d
                   -2 :              -0.00000153562064
                   -1 :              -0.00000590485140
                   +0 :              -0.00001166780185
                   +1 :              -0.00000708436723
                   +2 :               0.00001108584215
             10 vec=   -12.966938      4.492478     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000791742993
                2s
                   +0 :               0.00008616242528
                3s
                   +0 :              -0.00001862045698
                2p
                   -1 :               0.00001053504766
                   +0 :              -0.00005402923898
                   +1 :              -0.00008880560328
                3p
                   -1 :              -0.00003460841819
                   +0 :               0.00003209806001
                   +1 :               0.00001881055935
                3d
                   -2 :              -0.00001208860821
                   -1 :               0.00001419629624
                   +0 :               0.00001017811034
                   +1 :              -0.00000245577989
                   +2 :              -0.00000994323429
             11 vec=    10.373550      8.984357     -8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00000469651010
                2s
                   +0 :               0.00005244096081
                3s
                   +0 :              -0.00001046806483
                2p
                   -1 :              -0.00008879420115
                   +0 :              -0.00005223990024
                   +1 :               0.00006188541038
                3p
                   -1 :               0.00006924863293
                   +0 :               0.00000875685663
                   +1 :              -0.00002344049754
                3d
                   -2 :               0.00000094651188
                   -1 :              -0.00000290872304
                   +0 :               0.00000143889110
                   +1 :              -0.00000098956737
                   +2 :              -0.00000485377198
             12 vec=     2.593388     13.476236     -8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00001140427098
                2s
                   +0 :              -0.00000861517536
                3s
                   +0 :               0.00006193895109
                2p
                   -1 :               0.00007072234108
                   +0 :              -0.00005280043912
                   +1 :               0.00000701968218
                3p
                   -1 :              -0.00000130462726
                   +0 :              -0.00000104318547
                   +1 :              -0.00000529845181
                3d
                   -2 :               0.00000458312463
                   -1 :               0.00000068133963
                   +0 :              -0.00000199102226
                   +1 :              -0.00000594150443
                   +2 :              -0.00000183428871
             13 vec=     2.593388     -4.491280     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000176905370
                2s
                   +0 :              -0.00001328294663
                3s
                   +0 :              -0.00002098533705
                2p
                   -1 :               0.00002447427949
                   +0 :              -0.00003829332394
                   +1 :              -0.00001107624699
                3p
                   -1 :              -0.00004285910678
                   +0 :              -0.00000424491768
                   +1 :              -0.00000966087214
                3d
                   -2 :              -0.00000146523414
                   -1 :              -0.00000139683476
                   +0 :              -0.00000611126998
                   +1 :              -0.00000356856730
                   +2 :              -0.00000396539989
             14 vec=    -5.186775      0.000599     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00002137798444
                2s
                   +0 :               0.00013795587933
                3s
                   +0 :              -0.00005455571816
                2p
                   -1 :              -0.00000764751761
                   +0 :               0.00011923884655
                   +1 :               0.00004580301991
                3p
                   -1 :              -0.00000552458931
                   +0 :              -0.00006513939422
                   +1 :              -0.00005248496644
                3d
                   -2 :               0.00000492204122
                   -1 :              -0.00000277659110
                   +0 :               0.00000100325713
                   +1 :              -0.00000262552247
                   +2 :               0.00000601316809
             15 vec=     2.593388      4.492478     16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00001116185216
                2s
                   +0 :               0.00007255228767
                3s
                   +0 :              -0.00003342329701
                2p
                   -1 :               0.00003100214147
                   +0 :               0.00007590364241
                   +1 :               0.00008782103817
                3p
                   -1 :              -0.00003985054430
                   +0 :              -0.00004436173119
                   +1 :              -0.00006701247734
                3d
                   -2 :              -0.00000138141149
                   -1 :              -0.00000187082732
                   +0 :               0.00000094733494
                   +1 :              -0.00000125876861
                   +2 :               0.00000080184560
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 22)  npairs=  14
              1 vec=     0.209805      3.115717      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00157634179277
                2s
                   +0 :               0.04215297437508
                3s
                   +0 :              -0.00225722966430
                2p
                   -1 :               0.01552199219189
                   +0 :               0.02471880167903
                   +1 :              -0.00499407127357
                3p
                   -1 :              -0.00285112642550
                   +0 :               0.00126016343422
                   +1 :               0.00393847300658
                3d
                   -2 :               0.00030751557291
                   -1 :               0.00191606606456
                   +0 :               0.00174542544016
                   +1 :               0.00052580771433
                   +2 :              -0.00033220519828
              2 vec=     0.209805     -5.868041      4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00173458263695
                2s
                   +0 :              -0.01068838996620
                3s
                   +0 :               0.00572333007997
                2p
                   -1 :               0.01057778324514
                   +0 :              -0.00062685087432
                   +1 :               0.00129156616084
                3p
                   -1 :              -0.00789912500576
                   +0 :              -0.00020599621883
                   +1 :              -0.00140402579670
                3d
                   -2 :               0.00010476232161
                   -1 :              -0.00027100490706
                   +0 :              -0.00029566538422
                   +1 :               0.00001588766981
                   +2 :              -0.00060482396687
              3 vec=    -7.570358     -1.376162      4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00021919619650
                2s
                   +0 :              -0.00104251322020
                3s
                   +0 :               0.00039760477930
                2p
                   -1 :               0.00052655797780
                   +0 :               0.00256348391836
                   +1 :               0.00252028206875
                3p
                   -1 :              -0.00058940459801
                   +0 :              -0.00096133573537
                   +1 :              -0.00102856606573
                3d
                   -2 :               0.00007684653854
                   -1 :              -0.00017364904255
                   +0 :               0.00009676043646
                   +1 :              -0.00005287287565
                   +2 :              -0.00003689565569
              4 vec=     7.989968     -1.376162      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00012929226498
                2s
                   +0 :               0.00056633134681
                3s
                   +0 :              -0.00027450451404
                2p
                   -1 :              -0.00067653151508
                   +0 :               0.00087294854199
                   +1 :              -0.00225900172590
                3p
                   -1 :               0.00021547195555
                   +0 :              -0.00001591335233
                   +1 :               0.00205180420273
                3d
                   -2 :              -0.00002822204572
                   -1 :               0.00007438361621
                   +0 :              -0.00005073077295
                   +1 :               0.00007959914540
                   +2 :               0.00010117622168
              5 vec=    -7.570358      7.607596      4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00014520626107
                2s
                   +0 :               0.00112530783664
                3s
                   +0 :              -0.00050367750703
                2p
                   -1 :               0.00038588714589
                   +0 :               0.00015028282006
                   +1 :              -0.00136194545674
                3p
                   -1 :              -0.00024563668811
                   +0 :               0.00006729456794
                   +1 :               0.00092270997213
                3d
                   -2 :               0.00003313121959
                   -1 :               0.00006552896488
                   +0 :              -0.00003339212100
                   +1 :               0.00000251877739
                   +2 :              -0.00004632147619
              6 vec=     7.989968      7.607596      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00001112216252
                2s
                   +0 :               0.00019936447085
                3s
                   +0 :               0.00002221119723
                2p
                   -1 :              -0.00021580886674
                   +0 :               0.00021569603995
                   +1 :              -0.00023020116804
                3p
                   -1 :               0.00019617881150
                   +0 :              -0.00010655166984
                   +1 :               0.00045873621355
                3d
                   -2 :               0.00005820261562
                   -1 :              -0.00002414154879
                   +0 :              -0.00002496680078
                   +1 :               0.00003291489764
                   +2 :               0.00001072019393
              7 vec=     0.209805     12.099475      4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00005004299575
                2s
                   +0 :               0.00083540202063
                3s
                   +0 :              -0.00012076535137
                2p
                   -1 :               0.00031902519459
                   +0 :              -0.00016859968086
                   +1 :              -0.00014742652836
                3p
                   -1 :              -0.00010063355061
                   +0 :               0.00019802493383
                   +1 :               0.00004876327773
                3d
                   -2 :               0.00003581939203
                   -1 :               0.00000044133715
                   +0 :               0.00001915783516
                   +1 :              -0.00000739532717
                   +2 :               0.00000775350028
              8 vec=    -7.570358    -10.359920      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00002232599241
                2s
                   +0 :              -0.00025725000057
                3s
                   +0 :              -0.00017992056785
                2p
                   -1 :              -0.00022595495074
                   +0 :              -0.00066381526973
                   +1 :               0.00074556157136
                3p
                   -1 :               0.00020932801338
                   +0 :               0.00010782848253
                   +1 :              -0.00047425599871
                3d
                   -2 :               0.00000065358583
                   -1 :              -0.00000137617183
                   +0 :              -0.00000039185477
                   +1 :               0.00001754830795
                   +2 :               0.00000104552503
              9 vec=     7.989968    -10.359920      4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00008972408523
                2s
                   +0 :              -0.00094124152752
                3s
                   +0 :               0.00015516776045
                2p
                   -1 :               0.00015052864113
                   +0 :              -0.00043894951858
                   +1 :               0.00010079059898
                3p
                   -1 :              -0.00004627193469
                   +0 :               0.00006324690503
                   +1 :              -0.00031536986373
                3d
                   -2 :              -0.00000334957418
                   -1 :              -0.00002306367095
                   +0 :              -0.00002233957951
                   +1 :              -0.00002739651204
                   +2 :              -0.00001390907646
             10 vec=     0.209805    -14.851799      4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00001908283702
                2s
                   +0 :              -0.00015902647693
                3s
                   +0 :               0.00001359512575
                2p
                   -1 :               0.00017643293113
                   +0 :              -0.00008637434615
                   +1 :               0.00004877796001
                3p
                   -1 :              -0.00003601581817
                   +0 :               0.00002089103743
                   +1 :              -0.00004461789428
                3d
                   -2 :              -0.00000627004520
                   -1 :              -0.00000072873413
                   +0 :               0.00000297085781
                   +1 :               0.00000316825352
                   +2 :               0.00000965355859
             11 vec=   -15.350520      3.115717      4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000475345774
                2s
                   +0 :              -0.00001741007988
                3s
                   +0 :              -0.00001346586762
                2p
                   -1 :              -0.00003183847610
                   +0 :               0.00003843182406
                   +1 :              -0.00010041153463
                3p
                   -1 :              -0.00000638717801
                   +0 :              -0.00003168106016
                   +1 :               0.00005289493969
                3d
                   -2 :               0.00000222760121
                   -1 :              -0.00000089977483
                   +0 :              -0.00000523271867
                   +1 :               0.00000922931212
                   +2 :               0.00000017348448
             12 vec=    15.770130      3.115717      4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00000753595677
                2s
                   +0 :               0.00007717752506
                3s
                   +0 :              -0.00001536467846
                2p
                   -1 :              -0.00004145040964
                   +0 :               0.00005553108836
                   +1 :               0.00001400978641
                3p
                   -1 :               0.00002441973352
                   +0 :              -0.00005377742026
                   +1 :               0.00003834052223
                3d
                   -2 :               0.00000912321780
                   -1 :              -0.00000354750252
                   +0 :              -0.00000066341830
                   +1 :              -0.00000502475493
                   +2 :               0.00000410788812
             13 vec=   -15.350520     -5.868041      4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00000255693365
                2s
                   +0 :              -0.00001358784322
                3s
                   +0 :              -0.00000623504746
                2p
                   -1 :              -0.00003365453720
                   +0 :               0.00003478988997
                   +1 :               0.00005588153214
                3p
                   -1 :               0.00003392531988
                   +0 :              -0.00005573744584
                   +1 :               0.00001455237699
                3d
                   -2 :              -0.00000149886182
                   -1 :              -0.00000502474686
                   +0 :               0.00000254164011
                   +1 :              -0.00000436391804
                   +2 :               0.00000509511476
             14 vec=    15.770130     -5.868041      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000585559682
                2s
                   +0 :               0.00000651835382
                3s
                   +0 :              -0.00002967151179
                2p
                   -1 :              -0.00001671392584
                   +0 :               0.00000854303420
                   +1 :              -0.00002972701697
                3p
                   -1 :               0.00003640329412
                   +0 :              -0.00003405628448
                   +1 :              -0.00000834819890
                3d
                   -2 :               0.00000267028097
                   -1 :               0.00000040317206
                   +0 :               0.00000139348810
                   +1 :               0.00000093720466
                   +2 :              -0.00000102140688
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 23)  npairs=  14
              1 vec=    -2.803193     -1.376162      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00114766752850
                2s
                   +0 :              -0.00885981912369
                3s
                   +0 :              -0.00351417843250
                2p
                   -1 :              -0.00235134407379
                   +0 :              -0.01194141562930
                   +1 :              -0.00009067853741
                3p
                   -1 :              -0.00095699891347
                   +0 :               0.00184896681954
                   +1 :               0.00827069285630
                3d
                   -2 :               0.00009990609287
                   -1 :              -0.00025651094176
                   +0 :               0.00005373564034
                   +1 :               0.00147493117225
                   +2 :              -0.00086063638492
              2 vec=     4.976970      3.115717      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00087670886734
                2s
                   +0 :               0.00782977506145
                3s
                   +0 :              -0.00336906548517
                2p
                   -1 :               0.00788553519162
                   +0 :               0.00705768851095
                   +1 :               0.00849187412166
                3p
                   -1 :              -0.00691782530631
                   +0 :              -0.00441066101507
                   +1 :              -0.00590218255375
                3d
                   -2 :              -0.00062299561768
                   -1 :              -0.00038418353490
                   +0 :              -0.00027128791699
                   +1 :              -0.00051903105807
                   +2 :              -0.00038454831199
              3 vec=     4.976970     -5.868041      4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00031822727684
                2s
                   +0 :              -0.00164084371120
                3s
                   +0 :               0.00075134497498
                2p
                   -1 :              -0.00059668407374
                   +0 :              -0.00328769844306
                   +1 :              -0.00269141586409
                3p
                   -1 :               0.00000873171958
                   +0 :              -0.00029324983060
                   +1 :               0.00103826717019
                3d
                   -2 :               0.00002057341138
                   -1 :               0.00001385324157
                   +0 :              -0.00013511742370
                   +1 :              -0.00009358374118
                   +2 :               0.00008596905135
              4 vec=    -2.803193      7.607596      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00013701018724
                2s
                   +0 :               0.00038165007712
                3s
                   +0 :              -0.00002027154906
                2p
                   -1 :               0.00134835094111
                   +0 :               0.00186262241973
                   +1 :               0.00166428195467
                3p
                   -1 :              -0.00040945884458
                   +0 :               0.00012818062723
                   +1 :              -0.00152385707267
                3d
                   -2 :              -0.00003673843982
                   -1 :               0.00008977269019
                   +0 :               0.00006945334664
                   +1 :               0.00002158238457
                   +2 :              -0.00003956298177
              5 vec=    -2.803193    -10.359920      4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00007675324034
                2s
                   +0 :               0.00006158137670
                3s
                   +0 :              -0.00048056835014
                2p
                   -1 :               0.00023778203961
                   +0 :               0.00043905383888
                   +1 :              -0.00042760444356
                3p
                   -1 :               0.00033882423611
                   +0 :              -0.00066362096289
                   +1 :               0.00044683295887
                3d
                   -2 :              -0.00005507577436
                   -1 :               0.00000403844012
                   +0 :               0.00001279539541
                   +1 :              -0.00002375504921
                   +2 :               0.00005683117033
              6 vec=   -10.583355      3.115717      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00002410398445
                2s
                   +0 :               0.00011769649273
                3s
                   +0 :               0.00004272414234
                2p
                   -1 :              -0.00006703287892
                   +0 :               0.00036049701285
                   +1 :              -0.00019387551513
                3p
                   -1 :              -0.00011653083166
                   +0 :              -0.00031559990235
                   +1 :               0.00002542802885
                3d
                   -2 :              -0.00000614981036
                   -1 :               0.00000628826538
                   +0 :              -0.00004526459098
                   +1 :               0.00000244025453
                   +2 :               0.00002205816989
              7 vec=   -10.583355     -5.868041      4.091257   |vec|=   12.774181
                1s
                   +0 :              -0.00002853845204
                2s
                   +0 :              -0.00009774252719
                3s
                   +0 :              -0.00015106501369
                2p
                   -1 :               0.00022541369795
                   +0 :              -0.00004683474801
                   +1 :              -0.00036984474662
                3p
                   -1 :              -0.00010311804451
                   +0 :              -0.00005591179125
                   +1 :               0.00036223613423
                3d
                   -2 :               0.00000926423296
                   -1 :               0.00003794739107
                   +0 :               0.00000712253060
                   +1 :               0.00000298298239
                   +2 :              -0.00000160287307
              8 vec=    12.757133     -1.376162      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00007035070804
                2s
                   +0 :               0.00038663187958
                3s
                   +0 :              -0.00019270857306
                2p
                   -1 :               0.00022251453387
                   +0 :              -0.00033312624031
                   +1 :               0.00033607117475
                3p
                   -1 :              -0.00025024237105
                   +0 :               0.00025700210382
                   +1 :              -0.00032880257338
                3d
                   -2 :              -0.00004186396567
                   -1 :               0.00000774585499
                   +0 :              -0.00000310097928
                   +1 :               0.00003303981147
                   +2 :              -0.00002019245765
              9 vec=     4.976970     12.099475      4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00001812283826
                2s
                   +0 :               0.00033412600952
                3s
                   +0 :               0.00006127961609
                2p
                   -1 :               0.00077199507042
                   +0 :              -0.00009942080296
                   +1 :               0.00047360494439
                3p
                   -1 :              -0.00049056485995
                   +0 :               0.00018733934475
                   +1 :              -0.00033283568830
                3d
                   -2 :              -0.00002522838075
                   -1 :               0.00000084565577
                   +0 :               0.00002202715518
                   +1 :               0.00000713398810
                   +2 :               0.00001254789523
             10 vec=    12.757133      7.607596      4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00000202759523
                2s
                   +0 :               0.00000203353598
                3s
                   +0 :               0.00005903746494
                2p
                   -1 :               0.00003261885050
                   +0 :               0.00003576021768
                   +1 :              -0.00006473046938
                3p
                   -1 :              -0.00005451300083
                   +0 :               0.00000098574867
                   +1 :               0.00011291227949
                3d
                   -2 :              -0.00000229380114
                   -1 :               0.00000250053315
                   +0 :               0.00000620073365
                   +1 :               0.00000826506037
                   +2 :               0.00000538357840
             11 vec=     4.976970    -14.851799      4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00002635661636
                2s
                   +0 :              -0.00025816736691
                3s
                   +0 :               0.00002893188783
                2p
                   -1 :               0.00007684780598
                   +0 :               0.00005108870929
                   +1 :              -0.00006200238784
                3p
                   -1 :               0.00010450625050
                   +0 :              -0.00008119131882
                   +1 :               0.00001671951472
                3d
                   -2 :               0.00001702671765
                   -1 :               0.00001732748638
                   +0 :               0.00000765790722
                   +1 :               0.00000055907293
                   +2 :               0.00000680668441
             12 vec=   -10.583355     12.099475      4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00000277725880
                2s
                   +0 :               0.00005826209239
                3s
                   +0 :              -0.00002734612005
                2p
                   -1 :              -0.00000657791037
                   +0 :              -0.00009412358913
                   +1 :              -0.00004591384127
                3p
                   -1 :               0.00003445090782
                   +0 :               0.00009000886802
                   +1 :              -0.00000551504835
                3d
                   -2 :              -0.00000763179729
                   -1 :              -0.00000311171720
                   +0 :               0.00000268871550
                   +1 :               0.00000601784565
                   +2 :              -0.00000930741884
             13 vec=    12.757133    -10.359920      4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00002522538793
                2s
                   +0 :              -0.00018922076651
                3s
                   +0 :               0.00006815564892
                2p
                   -1 :               0.00003663473443
                   +0 :               0.00010404365397
                   +1 :              -0.00017603138540
                3p
                   -1 :              -0.00001458300057
                   +0 :              -0.00007195926513
                   +1 :               0.00008884022656
                3d
                   -2 :               0.00000299395745
                   -1 :              -0.00000055395819
                   +0 :               0.00000013812278
                   +1 :              -0.00000091534023
                   +2 :               0.00000045740071
             14 vec=    -2.803193     16.591354      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00001678184939
                2s
                   +0 :               0.00013387714104
                3s
                   +0 :              -0.00005451030617
                2p
                   -1 :               0.00019847782073
                   +0 :               0.00011544886222
                   +1 :               0.00008327442687
                3p
                   -1 :              -0.00011070004613
                   +0 :              -0.00006600827377
                   +1 :              -0.00006876886585
                3d
                   -2 :              -0.00000108879788
                   -1 :              -0.00000024880149
                   +0 :               0.00000055653395
                   +1 :              -0.00000339187207
                   +2 :               0.00000051236020
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 24)  npairs=  14
              1 vec=     2.593388     -1.012769      4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00000842583207
                2s
                   +0 :              -0.01451888935632
                3s
                   +0 :              -0.00065822951116
                2p
                   -1 :              -0.00703680565040
                   +0 :              -0.01326657489360
                   +1 :              -0.00559696062131
                3p
                   -1 :               0.00007187972369
                   +0 :               0.00367802150488
                   +1 :              -0.00401845915984
                3d
                   -2 :              -0.00045051766232
                   -1 :              -0.00122314465622
                   +0 :               0.00022965485343
                   +1 :              -0.00042808175833
                   +2 :              -0.00102484364338
              2 vec=    -5.186775      3.479110      4.091257   |vec|=    7.466273
                1s
                   +0 :               0.00035511897094
                2s
                   +0 :              -0.00208456560755
                3s
                   +0 :               0.00124027860308
                2p
                   -1 :              -0.00170437476378
                   +0 :              -0.00273248224229
                   +1 :              -0.00186847313723
                3p
                   -1 :               0.00170423693993
                   +0 :               0.00299323976418
                   +1 :               0.00082242256438
                3d
                   -2 :               0.00004497462910
                   -1 :              -0.00022273252537
                   +0 :               0.00010172958992
                   +1 :               0.00015426995569
                   +2 :              -0.00004031509490
              3 vec=    -5.186775     -5.504648      4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00039142093711
                2s
                   +0 :              -0.00191398466199
                3s
                   +0 :               0.00090754058406
                2p
                   -1 :               0.00139828427387
                   +0 :              -0.00304604715116
                   +1 :               0.00166241707152
                3p
                   -1 :              -0.00118010986202
                   +0 :               0.00063227847336
                   +1 :              -0.00072522137211
                3d
                   -2 :               0.00015560550609
                   -1 :              -0.00023612144459
                   +0 :              -0.00034148910756
                   +1 :              -0.00006664282069
                   +2 :               0.00003347999224
              4 vec=     2.593388      7.970989      4.091257   |vec|=    9.327417
                1s
                   +0 :              -0.00052755685311
                2s
                   +0 :               0.00329995523228
                3s
                   +0 :              -0.00106977180729
                2p
                   -1 :               0.00107790358583
                   +0 :               0.00194007263489
                   +1 :               0.00096469664289
                3p
                   -1 :               0.00003894690952
                   +0 :              -0.00053591651001
                   +1 :              -0.00059944931733
                3d
                   -2 :               0.00003668694995
                   -1 :              -0.00001597600096
                   +0 :               0.00014298609696
                   +1 :              -0.00018122354866
                   +2 :               0.00011842200044
              5 vec=     2.593388     -9.996527      4.091257   |vec|=   11.108312
                1s
                   +0 :              -0.00015626363491
                2s
                   +0 :               0.00043100509988
                3s
                   +0 :              -0.00039308522899
                2p
                   -1 :               0.00170500878142
                   +0 :              -0.00107863800405
                   +1 :              -0.00154804789376
                3p
                   -1 :              -0.00105123506403
                   +0 :               0.00045900117592
                   +1 :               0.00114514780204
                3d
                   -2 :              -0.00003183750648
                   -1 :               0.00002674462887
                   +0 :              -0.00016604956463
                   +1 :              -0.00004485036662
                   +2 :              -0.00012732848466
              6 vec=    10.373550      3.479110      4.091257   |vec|=   11.681316
                1s
                   +0 :               0.00000731438293
                2s
                   +0 :              -0.00005392013760
                3s
                   +0 :               0.00008113213617
                2p
                   -1 :              -0.00022597254788
                   +0 :               0.00002716780377
                   +1 :               0.00011914756634
                3p
                   -1 :               0.00011111254604
                   +0 :              -0.00001713016871
                   +1 :               0.00002974053440
                3d
                   -2 :               0.00003351410737
                   -1 :              -0.00003062476391
                   +0 :              -0.00002563364869
                   +1 :               0.00006010139014
                   +2 :               0.00012652415197
              7 vec=    10.373550     -5.504648      4.091257   |vec|=   12.435838
                1s
                   +0 :               0.00000508766366
                2s
                   +0 :              -0.00026686120092
                3s
                   +0 :              -0.00004698343385
                2p
                   -1 :              -0.00025621429409
                   +0 :              -0.00056731992343
                   +1 :              -0.00025246964998
                3p
                   -1 :               0.00024063133333
                   +0 :               0.00023655223111
                   +1 :               0.00014451374421
                3d
                   -2 :              -0.00000091704738
                   -1 :              -0.00000261481915
                   +0 :               0.00001468777717
                   +1 :               0.00000601106208
                   +2 :               0.00002889983870
              8 vec=   -12.966938     -1.012769      4.091257   |vec|=   13.634719
                1s
                   +0 :               0.00000495054467
                2s
                   +0 :              -0.00004371105763
                3s
                   +0 :              -0.00001634379302
                2p
                   -1 :               0.00005274054478
                   +0 :               0.00012790976366
                   +1 :               0.00002608705718
                3p
                   -1 :              -0.00021520301334
                   +0 :              -0.00003158748824
                   +1 :               0.00006134038668
                3d
                   -2 :               0.00001952386294
                   -1 :              -0.00000382994745
                   +0 :               0.00000254523185
                   +1 :              -0.00000394855703
                   +2 :              -0.00001111071851
              9 vec=    -5.186775     12.462868      4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00008132266552
                2s
                   +0 :               0.00074048166774
                3s
                   +0 :              -0.00018428032035
                2p
                   -1 :               0.00039806988086
                   +0 :               0.00031472277913
                   +1 :               0.00016620991290
                3p
                   -1 :              -0.00010376827068
                   +0 :              -0.00007943881243
                   +1 :              -0.00015953374250
                3d
                   -2 :              -0.00000784076806
                   -1 :              -0.00001324016754
                   +0 :               0.00001955725237
                   +1 :              -0.00000746068828
                   +2 :               0.00001538115483
             10 vec=   -12.966938      7.970989      4.091257   |vec|=   15.761235
                1s
                   +0 :              -0.00000248762686
                2s
                   +0 :               0.00005162178383
                3s
                   +0 :              -0.00000571406898
                2p
                   -1 :              -0.00009369514556
                   +0 :               0.00011678378404
                   +1 :              -0.00005102903410
                3p
                   -1 :               0.00006978741638
                   +0 :              -0.00006172367092
                   +1 :               0.00001697758512
                3d
                   -2 :              -0.00001011734774
                   -1 :               0.00000457882876
                   +0 :               0.00000058642083
                   +1 :               0.00000531193599
                   +2 :               0.00000363978665
             11 vec=    -5.186775    -14.488406      4.091257   |vec|=   15.923408
                1s
                   +0 :               0.00005567090210
                2s
                   +0 :              -0.00040649504144
                3s
                   +0 :               0.00016302042525
                2p
                   -1 :               0.00036564562378
                   +0 :              -0.00008007526425
                   +1 :               0.00002701551428
                3p
                   -1 :              -0.00019199242527
                   +0 :               0.00001193721702
                   +1 :               0.00005735166805
                3d
                   -2 :              -0.00000787797748
                   -1 :              -0.00000211938599
                   +0 :               0.00001858555452
                   +1 :               0.00000645026449
                   +2 :              -0.00000703557427
             12 vec=    10.373550     12.462868      4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00001705402953
                2s
                   +0 :               0.00013524152844
                3s
                   +0 :              -0.00005161640652
                2p
                   -1 :               0.00025432127159
                   +0 :               0.00001986741460
                   +1 :               0.00009020058667
                3p
                   -1 :              -0.00021190993421
                   +0 :              -0.00000449900138
                   +1 :              -0.00001434678942
                3d
                   -2 :              -0.00000647633975
                   -1 :              -0.00000431321050
                   +0 :               0.00000742209558
                   +1 :              -0.00000051281745
                   +2 :               0.00000654533915
             13 vec=   -12.966938     -9.996527      4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00001588857148
                2s
                   +0 :              -0.00012847085146
                3s
                   +0 :               0.00003976880597
                2p
                   -1 :              -0.00002858717849
                   +0 :              -0.00003642654403
                   +1 :               0.00006038738362
                3p
                   -1 :               0.00005734002863
                   +0 :               0.00001227953184
                   +1 :               0.00001472824389
                3d
                   -2 :               0.00000260431720
                   -1 :              -0.00000463500896
                   +0 :              -0.00000141407628
                   +1 :              -0.00000254092098
                   +2 :              -0.00000270297440
             14 vec=     2.593388     16.954747      4.091257   |vec|=   17.633136
                1s
                   +0 :              -0.00000715668701
                2s
                   +0 :               0.00008841998165
                3s
                   +0 :              -0.00000103614119
                2p
                   -1 :               0.00006041446762
                   +0 :               0.00002210144674
                   +1 :              -0.00000230607868
                3p
                   -1 :               0.00002152498438
                   +0 :               0.00000111615367
                   +1 :              -0.00000207931448
                3d
                   -2 :              -0.00000137761576
                   -1 :               0.00000130489894
                   +0 :              -0.00000205843123
                   +1 :              -0.00000579143815
                   +2 :               0.00000038914049
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 25)  npairs=  12
              1 vec=     2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00382023160149
                2s
                   +0 :              -0.09783968682546
                3s
                   +0 :               0.00915067363418
                2p
                   -1 :               0.04940672255715
                   +0 :               0.00450485391218
                   +1 :              -0.04273883245668
                3p
                   -1 :              -0.00688019685407
                   +0 :              -0.00335701906126
                   +1 :               0.00815743066424
                3d
                   -2 :               0.00242549821642
                   -1 :              -0.00038658107642
                   +0 :               0.00168061672745
                   +1 :              -0.00091432713413
                   +2 :               0.00193430871717
              2 vec=    -5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00132419840011
                2s
                   +0 :              -0.00072592549957
                3s
                   +0 :               0.00584338958996
                2p
                   -1 :              -0.00605011618917
                   +0 :               0.00238340645614
                   +1 :              -0.00330419829269
                3p
                   -1 :               0.00124200715760
                   +0 :              -0.00235456896865
                   +1 :              -0.00427035839820
                3d
                   -2 :               0.00039326827566
                   -1 :               0.00025756243726
                   +0 :              -0.00050943368188
                   +1 :               0.00002715569464
                   +2 :               0.00094610327901
              3 vec=     2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00132548702988
                2s
                   +0 :               0.04490761533020
                3s
                   +0 :              -0.00005889595291
                2p
                   -1 :               0.02878938142061
                   +0 :              -0.00094629978667
                   +1 :               0.01607146331047
                3p
                   -1 :               0.00335498276211
                   +0 :               0.00162879410440
                   +1 :              -0.00072481923519
                3d
                   -2 :               0.00246035500978
                   -1 :               0.00072637608620
                   +0 :              -0.00155285358817
                   +1 :               0.00038332749248
                   +2 :              -0.00128820578373
              4 vec=    -5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00046151433041
                2s
                   +0 :              -0.00520077796160
                3s
                   +0 :               0.00033547504434
                2p
                   -1 :               0.00554158322724
                   +0 :               0.00015269608604
                   +1 :               0.00468100425442
                3p
                   -1 :              -0.00032858290982
                   +0 :               0.00014013629198
                   +1 :              -0.00013036578972
                3d
                   -2 :              -0.00037088381243
                   -1 :              -0.00007310611354
                   +0 :               0.00021959044710
                   +1 :              -0.00008406367093
                   +2 :               0.00019746944739
              5 vec=    10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00025086024881
                2s
                   +0 :               0.00169064197491
                3s
                   +0 :              -0.00054956729096
                2p
                   -1 :              -0.00122846882908
                   +0 :              -0.00022121989549
                   +1 :               0.00129725447018
                3p
                   -1 :               0.00071298589151
                   +0 :               0.00017773032911
                   +1 :               0.00012338792166
                3d
                   -2 :               0.00003807681290
                   -1 :               0.00001133583870
                   +0 :              -0.00025010642132
                   +1 :               0.00005334565054
                   +2 :               0.00015900210874
              6 vec=    -5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00077063079302
                2s
                   +0 :               0.00666872170728
                3s
                   +0 :              -0.00183413368906
                2p
                   -1 :               0.00527374536261
                   +0 :              -0.00114942878661
                   +1 :              -0.00373556010133
                3p
                   -1 :              -0.00165143985146
                   +0 :               0.00113068358295
                   +1 :               0.00107194636966
                3d
                   -2 :              -0.00012307311377
                   -1 :               0.00009296062493
                   +0 :              -0.00007855473519
                   +1 :               0.00003723408301
                   +2 :               0.00000094071864
              7 vec=     2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00003671332570
                2s
                   +0 :              -0.00089406973073
                3s
                   +0 :              -0.00001545017274
                2p
                   -1 :               0.00013264886440
                   +0 :              -0.00006582642617
                   +1 :               0.00037005381610
                3p
                   -1 :               0.00024909069805
                   +0 :               0.00008807733682
                   +1 :              -0.00036214412595
                3d
                   -2 :               0.00004197866048
                   -1 :              -0.00000209360311
                   +0 :               0.00003431969256
                   +1 :              -0.00001222237997
                   +2 :              -0.00000330870627
              8 vec=    10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00009829543739
                2s
                   +0 :              -0.00103247839658
                3s
                   +0 :               0.00011275886198
                2p
                   -1 :              -0.00047541943966
                   +0 :               0.00016481627604
                   +1 :              -0.00017702744317
                3p
                   -1 :               0.00023723653787
                   +0 :              -0.00015713405490
                   +1 :              -0.00021483754228
                3d
                   -2 :              -0.00002450970912
                   -1 :              -0.00000459906539
                   +0 :               0.00003499719086
                   +1 :              -0.00002023024439
                   +2 :              -0.00001967876172
              9 vec=   -13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00006427110243
                2s
                   +0 :              -0.00065753137709
                3s
                   +0 :               0.00013486505083
                2p
                   -1 :              -0.00030739930378
                   +0 :              -0.00004663737412
                   +1 :               0.00078705549121
                3p
                   -1 :               0.00013171395209
                   +0 :               0.00004313621722
                   +1 :              -0.00025355153613
                3d
                   -2 :               0.00000063146949
                   -1 :              -0.00000768025947
                   +0 :              -0.00001297369105
                   +1 :               0.00000035156251
                   +2 :              -0.00001453819434
             10 vec=    10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00004551630031
                2s
                   +0 :               0.00061244010282
                3s
                   +0 :              -0.00013466986768
                2p
                   -1 :              -0.00012416752735
                   +0 :              -0.00010718558271
                   +1 :               0.00055200446319
                3p
                   -1 :              -0.00007206496401
                   +0 :               0.00007542210465
                   +1 :              -0.00012914509619
                3d
                   -2 :              -0.00002697362317
                   -1 :              -0.00000832489790
                   +0 :               0.00000186207110
                   +1 :               0.00001726297699
                   +2 :               0.00002607541980
             11 vec=   -13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00006016602779
                2s
                   +0 :               0.00051741944044
                3s
                   +0 :              -0.00017401883580
                2p
                   -1 :               0.00029210455999
                   +0 :              -0.00000543295034
                   +1 :              -0.00027480712460
                3p
                   -1 :              -0.00020529345354
                   +0 :               0.00002202920761
                   +1 :               0.00012651598182
                3d
                   -2 :               0.00001176382328
                   -1 :              -0.00000886983254
                   +0 :               0.00002346972304
                   +1 :              -0.00000652264773
                   +2 :              -0.00000830187359
             12 vec=     2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00002791285378
                2s
                   +0 :               0.00058727947819
                3s
                   +0 :              -0.00006509656587
                2p
                   -1 :               0.00025509547212
                   +0 :               0.00016726607666
                   +1 :               0.00010949786527
                3p
                   -1 :               0.00004855345155
                   +0 :              -0.00014727945120
                   +1 :              -0.00005495080923
                3d
                   -2 :               0.00000398330953
                   -1 :              -0.00000185110688
                   +0 :              -0.00000220337073
                   +1 :               0.00000732736589
                   +2 :               0.00001130298711
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 26)  npairs=  12
              1 vec=    -2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00390215002189
                2s
                   +0 :              -0.09837223675778
                3s
                   +0 :               0.00945721604039
                2p
                   -1 :               0.04956986284172
                   +0 :              -0.00450756296078
                   +1 :               0.04262043386264
                3p
                   -1 :              -0.00712764062642
                   +0 :               0.00319055956124
                   +1 :              -0.00797590239026
                3d
                   -2 :              -0.00242307400465
                   -1 :               0.00037300493943
                   +0 :               0.00171694026578
                   +1 :              -0.00090450691012
                   +2 :               0.00192627846015
              2 vec=    -2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00127778790865
                2s
                   +0 :               0.04458479655892
                3s
                   +0 :               0.00003306470468
                2p
                   -1 :               0.02895397693425
                   +0 :               0.00134060148913
                   +1 :              -0.01636216298358
                3p
                   -1 :               0.00322631156111
                   +0 :              -0.00181502576025
                   +1 :               0.00098953370567
                3d
                   -2 :              -0.00245715520086
                   -1 :              -0.00072292240491
                   +0 :              -0.00156311516688
                   +1 :               0.00037457579984
                   +2 :              -0.00127953541080
              3 vec=     5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00133465514288
                2s
                   +0 :              -0.00084320977428
                3s
                   +0 :               0.00590043157235
                2p
                   -1 :              -0.00588197093819
                   +0 :              -0.00221654471872
                   +1 :               0.00358334402427
                3p
                   -1 :               0.00102801921219
                   +0 :               0.00228726301309
                   +1 :               0.00405228254991
                3d
                   -2 :              -0.00041566979236
                   -1 :              -0.00027886605826
                   +0 :              -0.00050189175855
                   +1 :               0.00004309691914
                   +2 :               0.00093541311341
              4 vec=   -10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00030080348483
                2s
                   +0 :               0.00206336274783
                3s
                   +0 :              -0.00069237910975
                2p
                   -1 :              -0.00128922929822
                   +0 :               0.00035658320924
                   +1 :              -0.00138365242920
                3p
                   -1 :               0.00079855379070
                   +0 :              -0.00025774827205
                   +1 :              -0.00009018682162
                3d
                   -2 :              -0.00004939956317
                   -1 :              -0.00001035287111
                   +0 :              -0.00024921819040
                   +1 :               0.00005048692316
                   +2 :               0.00016577425799
              5 vec=     5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00040771853993
                2s
                   +0 :              -0.00478507584551
                3s
                   +0 :               0.00018363649950
                2p
                   -1 :               0.00520999474734
                   +0 :              -0.00047537840032
                   +1 :              -0.00464692793075
                3p
                   -1 :              -0.00010101210623
                   +0 :               0.00001352277558
                   +1 :               0.00017262863238
                3d
                   -2 :               0.00036992187087
                   -1 :               0.00008199603339
                   +0 :               0.00021887835564
                   +1 :              -0.00009081093149
                   +2 :               0.00019860314725
              6 vec=     5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00076160478567
                2s
                   +0 :               0.00664599178709
                3s
                   +0 :              -0.00183583678916
                2p
                   -1 :               0.00529402011089
                   +0 :               0.00124187491223
                   +1 :               0.00365248315511
                3p
                   -1 :              -0.00165270000892
                   +0 :              -0.00116208103504
                   +1 :              -0.00101508609941
                3d
                   -2 :               0.00011850362425
                   -1 :              -0.00009212878524
                   +0 :              -0.00008087449166
                   +1 :               0.00002610692518
                   +2 :               0.00000523787971
              7 vec=   -10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00008982630113
                2s
                   +0 :              -0.00095863759023
                3s
                   +0 :               0.00007548553838
                2p
                   -1 :              -0.00047694195400
                   +0 :              -0.00016685869672
                   +1 :               0.00020818074081
                3p
                   -1 :               0.00023226126594
                   +0 :               0.00017447310409
                   +1 :               0.00018633491899
                3d
                   -2 :               0.00003161885939
                   -1 :               0.00000755894763
                   +0 :               0.00002388736435
                   +1 :              -0.00002250930032
                   +2 :              -0.00001698198268
              8 vec=    -2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00000389930131
                2s
                   +0 :              -0.00073202137193
                3s
                   +0 :              -0.00012326337498
                2p
                   -1 :               0.00010598738236
                   +0 :              -0.00001441373299
                   +1 :              -0.00028181164301
                3p
                   -1 :               0.00028452597361
                   +0 :               0.00002948949691
                   +1 :               0.00027284908645
                3d
                   -2 :              -0.00004045991907
                   -1 :              -0.00001065846987
                   +0 :               0.00002190792199
                   +1 :              -0.00000165341624
                   +2 :              -0.00000349989934
              9 vec=   -10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00004060803934
                2s
                   +0 :               0.00057779514305
                3s
                   +0 :              -0.00012614818411
                2p
                   -1 :              -0.00013738294814
                   +0 :               0.00008695812519
                   +1 :              -0.00056143420596
                3p
                   -1 :              -0.00005785848703
                   +0 :              -0.00005657522304
                   +1 :               0.00014575676213
                3d
                   -2 :               0.00002257066444
                   -1 :               0.00001804472591
                   +0 :               0.00000324601013
                   +1 :               0.00001958243571
                   +2 :               0.00003234821006
             10 vec=    13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00006700267129
                2s
                   +0 :              -0.00068846171609
                3s
                   +0 :               0.00013612265234
                2p
                   -1 :              -0.00030564086235
                   +0 :               0.00006253828468
                   +1 :              -0.00081510349085
                3p
                   -1 :               0.00013624853511
                   +0 :              -0.00007427939673
                   +1 :               0.00026323106872
                3d
                   -2 :              -0.00000024955430
                   -1 :               0.00001068183076
                   +0 :              -0.00001011086723
                   +1 :               0.00000036279817
                   +2 :              -0.00001635351238
             11 vec=    -2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00003447632606
                2s
                   +0 :               0.00062287732186
                3s
                   +0 :              -0.00009045093620
                2p
                   -1 :               0.00025158035453
                   +0 :              -0.00015776188143
                   +1 :              -0.00010508039206
                3p
                   -1 :               0.00006385696304
                   +0 :               0.00012266079094
                   +1 :               0.00004846584130
                3d
                   -2 :              -0.00000755590211
                   -1 :              -0.00000221926758
                   +0 :              -0.00000888970833
                   +1 :               0.00000843219704
                   +2 :               0.00001164150066
             12 vec=    13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00005693627791
                2s
                   +0 :               0.00049953273441
                3s
                   +0 :              -0.00017151920889
                2p
                   -1 :               0.00028276179074
                   +0 :              -0.00001772867039
                   +1 :               0.00018806799081
                3p
                   -1 :              -0.00020189282779
                   +0 :              -0.00000021351893
                   +1 :              -0.00006005486545
                3d
                   -2 :              -0.00000980040271
                   -1 :               0.00000552875894
                   +0 :               0.00001661327527
                   +1 :              -0.00000572865123
                   +2 :              -0.00000748038497
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 27)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00174159911525
                2s
                   +0 :              -0.00213095503849
                3s
                   +0 :              -0.00740236706456
                2p
                   -1 :               0.86355148522125
                   +0 :              -0.00064486869949
                   +1 :              -0.00027878795125
                3p
                   -1 :              -0.03632298344046
                   +0 :               0.00036999767840
                   +1 :               0.00017248985546
                3d
                   -2 :               0.00001211890091
                   -1 :              -0.00006458978195
                   +0 :              -0.00153467608019
                   +1 :               0.00217689432971
                   +2 :               0.00417036042381
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00008348936396
                2s
                   +0 :               0.00023912363044
                3s
                   +0 :              -0.00070015776087
                2p
                   -1 :              -0.00153218078435
                   +0 :              -0.00099060515903
                   +1 :               0.00160175245806
                3p
                   -1 :               0.00035354871583
                   +0 :               0.00086141964954
                   +1 :               0.00108916929138
                3d
                   -2 :               0.00013141840505
                   -1 :              -0.00004705419074
                   +0 :               0.00013064455913
                   +1 :               0.00003368618012
                   +2 :              -0.00029427871148
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00018100629479
                2s
                   +0 :              -0.00153536942635
                3s
                   +0 :               0.00093855530939
                2p
                   -1 :              -0.00216732475587
                   +0 :              -0.00026820493659
                   +1 :               0.00101277266701
                3p
                   -1 :               0.00136058748746
                   +0 :               0.00017052575613
                   +1 :              -0.00152077686314
                3d
                   -2 :              -0.00017793984118
                   -1 :               0.00011243602514
                   +0 :               0.00007097719171
                   +1 :               0.00000341738905
                   +2 :               0.00000884674273
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00015007647491
                2s
                   +0 :              -0.00123009328440
                3s
                   +0 :              -0.00012261046124
                2p
                   -1 :               0.00434386614165
                   +0 :               0.00008037388116
                   +1 :               0.00007821089188
                3p
                   -1 :              -0.00177024886253
                   +0 :              -0.00009519118055
                   +1 :              -0.00008666128893
                3d
                   -2 :               0.00000178995661
                   -1 :               0.00000658536761
                   +0 :              -0.00005347148757
                   +1 :               0.00004129603370
                   +2 :              -0.00015841732546
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00056944010092
                2s
                   +0 :               0.00209509885489
                3s
                   +0 :              -0.00031697903572
                2p
                   -1 :               0.00162084134886
                   +0 :               0.00001883516518
                   +1 :               0.00004633614497
                3p
                   -1 :               0.00035602013500
                   +0 :              -0.00000179696443
                   +1 :              -0.00003997033727
                3d
                   -2 :              -0.00000830521898
                   -1 :               0.00000176254224
                   +0 :              -0.00011704636174
                   +1 :              -0.00022401110144
                   +2 :               0.00018298335104
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00011312246961
                2s
                   +0 :               0.00042651646708
                3s
                   +0 :              -0.00080509838375
                2p
                   -1 :              -0.00137942648404
                   +0 :               0.00104726513298
                   +1 :              -0.00156166411150
                3p
                   -1 :               0.00027440620842
                   +0 :              -0.00089269372280
                   +1 :              -0.00112547234334
                3d
                   -2 :              -0.00013112946958
                   -1 :               0.00004378450880
                   +0 :               0.00012765609431
                   +1 :               0.00003159679169
                   +2 :              -0.00028989655030
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00023523802925
                2s
                   +0 :              -0.00192001066703
                3s
                   +0 :               0.00111240630217
                2p
                   -1 :              -0.00236920549594
                   +0 :               0.00020272715629
                   +1 :              -0.00094463766958
                3p
                   -1 :               0.00148311650038
                   +0 :              -0.00011266453387
                   +1 :               0.00142848232623
                3d
                   -2 :               0.00016976530821
                   -1 :              -0.00011959267298
                   +0 :               0.00008993002960
                   +1 :              -0.00001562543021
                   +2 :              -0.00000360198156
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000947509491
                2s
                   +0 :               0.00013295138161
                3s
                   +0 :              -0.00002519608887
                2p
                   -1 :              -0.00025988783476
                   +0 :               0.00004335887129
                   +1 :              -0.00031693922431
                3p
                   -1 :               0.00013428643831
                   +0 :              -0.00003014049245
                   +1 :               0.00013244847161
                3d
                   -2 :              -0.00000956259810
                   -1 :               0.00000979947217
                   +0 :               0.00001043985332
                   +1 :               0.00000380137774
                   +2 :               0.00000617156391
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00012871479194
                2s
                   +0 :              -0.00133663081384
                3s
                   +0 :               0.00026074373430
                2p
                   -1 :               0.00109156137933
                   +0 :               0.00021011079289
                   +1 :               0.00066141851785
                3p
                   -1 :              -0.00020432626618
                   +0 :              -0.00020473005553
                   +1 :              -0.00016328093051
                3d
                   -2 :              -0.00003036208475
                   -1 :              -0.00000564278920
                   +0 :               0.00002613053359
                   +1 :               0.00002040048057
                   +2 :               0.00003688780704
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002336155025
                2s
                   +0 :               0.00070963871160
                3s
                   +0 :               0.00000085601736
                2p
                   -1 :               0.00098851871812
                   +0 :              -0.00023997090929
                   +1 :              -0.00038964399579
                3p
                   -1 :              -0.00026498194169
                   +0 :               0.00024461347028
                   +1 :               0.00001779170976
                3d
                   -2 :              -0.00003277820124
                   -1 :               0.00002502087738
                   +0 :              -0.00000635310371
                   +1 :              -0.00003437014964
                   +2 :               0.00000597604880
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00012798662020
                2s
                   +0 :              -0.00134147067834
                3s
                   +0 :               0.00026922221923
                2p
                   -1 :               0.00105659097665
                   +0 :              -0.00017359808336
                   +1 :              -0.00062974558760
                3p
                   -1 :              -0.00018433759279
                   +0 :               0.00017875643101
                   +1 :               0.00014072625657
                3d
                   -2 :               0.00003084603677
                   -1 :               0.00000453662267
                   +0 :               0.00002881714782
                   +1 :               0.00002440431322
                   +2 :               0.00003550827689
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001885784690
                2s
                   +0 :               0.00068203936686
                3s
                   +0 :               0.00001370772081
                2p
                   -1 :               0.00096337578974
                   +0 :               0.00022627785157
                   +1 :               0.00042123637910
                3p
                   -1 :              -0.00023725526890
                   +0 :              -0.00022322590505
                   +1 :              -0.00004435540641
                3d
                   -2 :               0.00002836041173
                   -1 :              -0.00002536494674
                   +0 :              -0.00000402121251
                   +1 :              -0.00003133156273
                   +2 :               0.00000346174841
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002403187909
                2s
                   +0 :               0.00022438085775
                3s
                   +0 :              -0.00006948547073
                2p
                   -1 :              -0.00027961404425
                   +0 :               0.00001123978867
                   +1 :               0.00035563456649
                3p
                   -1 :               0.00014991494422
                   +0 :              -0.00002036681259
                   +1 :              -0.00015612575647
                3d
                   -2 :               0.00000885859649
                   -1 :              -0.00001033099817
                   +0 :               0.00000892626359
                   +1 :              -0.00000010225506
                   +2 :               0.00000883658594
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000702169728
                2s
                   +0 :              -0.00009965330077
                3s
                   +0 :               0.00001628272141
                2p
                   -1 :              -0.00001114021315
                   +0 :              -0.00003565762317
                   +1 :               0.00006883675513
                3p
                   -1 :               0.00001816595993
                   +0 :               0.00003308194087
                   +1 :               0.00001121646423
                3d
                   -2 :               0.00000157330314
                   -1 :              -0.00000283880890
                   +0 :              -0.00000160769967
                   +1 :               0.00000241287694
                   +2 :              -0.00000151711876
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001144885104
                2s
                   +0 :               0.00012171304796
                3s
                   +0 :              -0.00002927593870
                2p
                   -1 :               0.00004227376806
                   +0 :               0.00000536518092
                   +1 :              -0.00012909678377
                3p
                   -1 :              -0.00002620645482
                   +0 :              -0.00000008120242
                   +1 :               0.00003264599392
                3d
                   -2 :               0.00000504053944
                   -1 :              -0.00000319628851
                   +0 :              -0.00000258436971
                   +1 :              -0.00000118330307
                   +2 :               0.00000135079520
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001020779543
                2s
                   +0 :              -0.00012153159564
                3s
                   +0 :               0.00000768026692
                2p
                   -1 :               0.00014005487268
                   +0 :              -0.00002084917997
                   +1 :              -0.00001075771366
                3p
                   -1 :              -0.00002443039136
                   +0 :               0.00001468210514
                   +1 :               0.00000662591153
                3d
                   -2 :               0.00000010331331
                   -1 :              -0.00000094069027
                   +0 :               0.00000080720425
                   +1 :               0.00000038955259
                   +2 :              -0.00000027411972
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001736291790
                2s
                   +0 :               0.00015351569631
                3s
                   +0 :              -0.00002035485863
                2p
                   -1 :               0.00007945102167
                   +0 :              -0.00001398913029
                   +1 :               0.00000431465471
                3p
                   -1 :               0.00002067767719
                   +0 :               0.00000644353616
                   +1 :              -0.00000504727781
                3d
                   -2 :              -0.00000095642138
                   -1 :               0.00000041017823
                   +0 :               0.00000107746502
                   +1 :              -0.00000220703494
                   +2 :               0.00000341868620
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000698094415
                2s
                   +0 :              -0.00010124059487
                3s
                   +0 :               0.00001974775797
                2p
                   -1 :              -0.00000497532511
                   +0 :               0.00002036781656
                   +1 :              -0.00007819941756
                3p
                   -1 :               0.00001504904555
                   +0 :              -0.00001483767943
                   +1 :              -0.00000383102343
                3d
                   -2 :              -0.00000273240196
                   -1 :               0.00000332355255
                   +0 :              -0.00000108755215
                   +1 :               0.00000170913325
                   +2 :               0.00000007496932
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001087376020
                2s
                   +0 :               0.00011693610343
                3s
                   +0 :              -0.00003081792085
                2p
                   -1 :               0.00002914324304
                   +0 :              -0.00000676373702
                   +1 :               0.00014747282630
                3p
                   -1 :              -0.00001794406094
                   +0 :               0.00000240602847
                   +1 :              -0.00005090360808
                3d
                   -2 :              -0.00000584063628
                   -1 :               0.00000332891221
                   +0 :              -0.00000078951043
                   +1 :              -0.00000019898119
                   +2 :               0.00000088297836
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 28)  npairs=  14
              1 vec=    -2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006651178589
                2s
                   +0 :               0.00040520146526
                3s
                   +0 :              -0.00023111963134
                2p
                   -1 :               0.00033223454648
                   +0 :              -0.00043983729748
                   +1 :              -0.00008337654769
                3p
                   -1 :              -0.00025829709471
                   +0 :               0.00033689739205
                   +1 :              -0.00006942967056
                3d
                   -2 :              -0.00000714754011
                   -1 :               0.00002069047058
                   +0 :              -0.00003541793290
                   +1 :               0.00002201676972
                   +2 :               0.00000689597425
              2 vec=    -2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005159789363
                2s
                   +0 :              -0.00026179681827
                3s
                   +0 :               0.00021619725288
                2p
                   -1 :               0.00002071065690
                   +0 :              -0.00048119891258
                   +1 :               0.00013422483672
                3p
                   -1 :              -0.00004163145225
                   +0 :               0.00054779274878
                   +1 :              -0.00018815799422
                3d
                   -2 :               0.00002094467271
                   -1 :               0.00000091925663
                   +0 :               0.00006134807070
                   +1 :              -0.00001886085170
                   +2 :               0.00001833835811
              3 vec=     5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00005313583654
                2s
                   +0 :               0.00026588599929
                3s
                   +0 :              -0.00010625596840
                2p
                   -1 :              -0.00017808682418
                   +0 :               0.00018010910625
                   +1 :               0.00043972472009
                3p
                   -1 :              -0.00015586898451
                   +0 :              -0.00014116944346
                   +1 :              -0.00019169159119
                3d
                   -2 :              -0.00000794619204
                   -1 :               0.00002788156650
                   +0 :               0.00002612621221
                   +1 :              -0.00000634072263
                   +2 :               0.00000551797860
              4 vec=     5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00003298294891
                2s
                   +0 :               0.00037190718899
                3s
                   +0 :              -0.00007775568779
                2p
                   -1 :              -0.00048866945615
                   +0 :               0.00009024779955
                   +1 :               0.00012534117998
                3p
                   -1 :               0.00016068518735
                   +0 :              -0.00000159560892
                   +1 :               0.00002602094850
                3d
                   -2 :              -0.00000078876825
                   -1 :              -0.00001496329381
                   +0 :               0.00000376328846
                   +1 :               0.00000447151415
                   +2 :               0.00000135610714
              5 vec=     5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000997757627
                2s
                   +0 :              -0.00010843354640
                3s
                   +0 :               0.00007164918288
                2p
                   -1 :               0.00003462885509
                   +0 :               0.00006235249264
                   +1 :               0.00012842817030
                3p
                   -1 :              -0.00007605887867
                   +0 :              -0.00004427860903
                   +1 :              -0.00015524528577
                3d
                   -2 :              -0.00000390760932
                   -1 :              -0.00000116981171
                   +0 :               0.00001632592782
                   +1 :               0.00000348441670
                   +2 :              -0.00000446223964
              6 vec=     5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000907737952
                2s
                   +0 :              -0.00011460750318
                3s
                   +0 :               0.00002352215134
                2p
                   -1 :              -0.00013649826007
                   +0 :              -0.00002657259436
                   +1 :               0.00011800477727
                3p
                   -1 :               0.00007739666177
                   +0 :              -0.00002077379512
                   +1 :              -0.00014449915633
                3d
                   -2 :               0.00001077876496
                   -1 :               0.00000503104845
                   +0 :               0.00000460049087
                   +1 :              -0.00001040027958
                   +2 :              -0.00001035832439
              7 vec=    -2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001015093080
                2s
                   +0 :               0.00036117177819
                3s
                   +0 :               0.00002257124439
                2p
                   -1 :               0.00030289282910
                   +0 :              -0.00026878609204
                   +1 :               0.00009008297146
                3p
                   -1 :              -0.00013616856128
                   +0 :              -0.00000211729777
                   +1 :               0.00002600354447
                3d
                   -2 :               0.00000538990711
                   -1 :              -0.00001351562259
                   +0 :              -0.00000039498897
                   +1 :              -0.00001284088109
                   +2 :               0.00000826133457
              8 vec=    -2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000259061198
                2s
                   +0 :               0.00005045442538
                3s
                   +0 :               0.00005427996352
                2p
                   -1 :              -0.00005383345581
                   +0 :              -0.00004955126459
                   +1 :               0.00002954833131
                3p
                   -1 :               0.00009335850518
                   +0 :               0.00015939156091
                   +1 :              -0.00000578712641
                3d
                   -2 :               0.00000187461518
                   -1 :               0.00002062423916
                   +0 :              -0.00000653956449
                   +1 :               0.00000014100765
                   +2 :              -0.00001253628162
              9 vec=    -2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000301468682
                2s
                   +0 :               0.00001414897213
                3s
                   +0 :              -0.00002988263061
                2p
                   -1 :              -0.00014589659877
                   +0 :              -0.00003591608443
                   +1 :               0.00003932222752
                3p
                   -1 :               0.00013948067297
                   +0 :               0.00007012314785
                   +1 :              -0.00005675653496
                3d
                   -2 :              -0.00001320923964
                   -1 :              -0.00000788314932
                   +0 :              -0.00000662445167
                   +1 :               0.00000063712524
                   +2 :              -0.00000631358609
             10 vec=    -2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000425753031
                2s
                   +0 :              -0.00003962064651
                3s
                   +0 :              -0.00000248814549
                2p
                   -1 :               0.00006339785053
                   +0 :               0.00005175079205
                   +1 :               0.00003263061776
                3p
                   -1 :              -0.00002260810662
                   +0 :              -0.00007453597829
                   +1 :              -0.00002977251320
                3d
                   -2 :               0.00001040752211
                   -1 :              -0.00000545208205
                   +0 :              -0.00000231510118
                   +1 :               0.00000508922853
                   +2 :              -0.00000050147717
             11 vec=   -10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001257012640
                2s
                   +0 :               0.00007275076267
                3s
                   +0 :              -0.00001777306878
                2p
                   -1 :               0.00015494825307
                   +0 :              -0.00003277205159
                   +1 :              -0.00022044636155
                3p
                   -1 :              -0.00014916271902
                   +0 :              -0.00000381286083
                   +1 :               0.00015499453670
                3d
                   -2 :               0.00000697571324
                   -1 :               0.00001054667690
                   +0 :              -0.00000246025162
                   +1 :              -0.00000937425721
                   +2 :              -0.00000205540014
             12 vec=   -10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001755900190
                2s
                   +0 :              -0.00008757038630
                3s
                   +0 :               0.00005890206476
                2p
                   -1 :               0.00009497689875
                   +0 :              -0.00008971646010
                   +1 :              -0.00008484345124
                3p
                   -1 :              -0.00008334855139
                   +0 :               0.00007067548738
                   +1 :               0.00004602038675
                3d
                   -2 :               0.00000073769700
                   -1 :              -0.00000626781049
                   +0 :               0.00001021913884
                   +1 :              -0.00000576225903
                   +2 :               0.00000059573686
             13 vec=   -10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001678855434
                2s
                   +0 :              -0.00011925715356
                3s
                   +0 :               0.00002338864942
                2p
                   -1 :              -0.00003186947881
                   +0 :               0.00004041937192
                   +1 :               0.00002160060510
                3p
                   -1 :               0.00007009003173
                   +0 :               0.00001906720616
                   +1 :               0.00000687826650
                3d
                   -2 :              -0.00001106396904
                   -1 :              -0.00001026324856
                   +0 :              -0.00000123137926
                   +1 :              -0.00000184823074
                   +2 :               0.00000122520317
             14 vec=   -10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001136318945
                2s
                   +0 :               0.00002483326513
                3s
                   +0 :              -0.00006427674796
                2p
                   -1 :              -0.00000023717056
                   +0 :               0.00006359510082
                   +1 :               0.00002892163089
                3p
                   -1 :               0.00003868452247
                   +0 :              -0.00011823638901
                   +1 :               0.00001354436039
                3d
                   -2 :              -0.00000208178811
                   -1 :               0.00000149115572
                   +0 :              -0.00000718248595
                   +1 :               0.00000640550819
                   +2 :               0.00000103657730
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 29)  npairs=  14
              1 vec=     2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005840510773
                2s
                   +0 :              -0.00029037906916
                3s
                   +0 :               0.00027694367665
                2p
                   -1 :               0.00009764101960
                   +0 :               0.00037355757993
                   +1 :              -0.00000531886750
                3p
                   -1 :              -0.00005409167959
                   +0 :              -0.00051109848385
                   +1 :               0.00009366336031
                3d
                   -2 :              -0.00002358749505
                   -1 :               0.00000607115801
                   +0 :               0.00006959467909
                   +1 :              -0.00001492477530
                   +2 :               0.00000438047445
              2 vec=     2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003620735400
                2s
                   +0 :               0.00021295831324
                3s
                   +0 :              -0.00013697218186
                2p
                   -1 :               0.00021909652469
                   +0 :               0.00035611439188
                   +1 :              -0.00002721483393
                3p
                   -1 :              -0.00020604963839
                   +0 :              -0.00030931709767
                   +1 :               0.00009674372343
                3d
                   -2 :               0.00000362430019
                   -1 :              -0.00001829332970
                   +0 :              -0.00002200762839
                   +1 :               0.00001581895160
                   +2 :               0.00001883396336
              3 vec=    -5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001178267127
                2s
                   +0 :               0.00014880801663
                3s
                   +0 :               0.00001228218777
                2p
                   -1 :              -0.00068393998455
                   +0 :               0.00001598831852
                   +1 :              -0.00017155456697
                3p
                   -1 :               0.00023992903727
                   +0 :              -0.00001209848923
                   +1 :              -0.00001123928041
                3d
                   -2 :              -0.00000004580988
                   -1 :               0.00002128206364
                   +0 :               0.00002566072406
                   +1 :               0.00000389024598
                   +2 :              -0.00000375055985
              4 vec=    -5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00007559936066
                2s
                   +0 :               0.00044836851312
                3s
                   +0 :              -0.00020351170360
                2p
                   -1 :              -0.00010086033768
                   +0 :              -0.00008381256862
                   +1 :              -0.00047422161152
                3p
                   -1 :              -0.00016602123587
                   +0 :               0.00009001699833
                   +1 :               0.00024401449964
                3d
                   -2 :               0.00001792898906
                   -1 :              -0.00001951558363
                   +0 :               0.00002064144033
                   +1 :               0.00000118834520
                   +2 :              -0.00000573131908
              5 vec=    -5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00001360897256
                2s
                   +0 :               0.00009870419899
                3s
                   +0 :              -0.00007778246580
                2p
                   -1 :              -0.00009632292475
                   +0 :              -0.00013686600886
                   +1 :              -0.00011461886481
                3p
                   -1 :               0.00006534600289
                   +0 :               0.00010141982394
                   +1 :               0.00010784852431
                3d
                   -2 :              -0.00000538552338
                   -1 :              -0.00001614664434
                   +0 :              -0.00000898091103
                   +1 :              -0.00000524488817
                   +2 :              -0.00000803315819
              6 vec=    -5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000527479804
                2s
                   +0 :              -0.00003103121992
                3s
                   +0 :              -0.00001652720045
                2p
                   -1 :               0.00011730455208
                   +0 :               0.00007867535439
                   +1 :              -0.00005914661083
                3p
                   -1 :              -0.00013746731171
                   +0 :              -0.00010598618622
                   +1 :               0.00010996065869
                3d
                   -2 :               0.00000073056912
                   -1 :              -0.00000682043243
                   +0 :              -0.00000455509451
                   +1 :               0.00000503030626
                   +2 :              -0.00000765599131
              7 vec=     2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002150423572
                2s
                   +0 :               0.00024996666731
                3s
                   +0 :              -0.00000270362518
                2p
                   -1 :               0.00002166917399
                   +0 :              -0.00006757368502
                   +1 :               0.00000526124582
                3p
                   -1 :               0.00006863231406
                   +0 :              -0.00012347055724
                   +1 :              -0.00004473665854
                3d
                   -2 :              -0.00000746996314
                   -1 :              -0.00002302644185
                   +0 :              -0.00000468627451
                   +1 :               0.00001070069043
                   +2 :              -0.00001241384373
              8 vec=     2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00001839135553
                2s
                   +0 :               0.00041615395438
                3s
                   +0 :               0.00001213201852
                2p
                   -1 :               0.00024871048963
                   +0 :               0.00015513967698
                   +1 :              -0.00016928303089
                3p
                   -1 :              -0.00007418453835
                   +0 :               0.00010096458172
                   +1 :               0.00004132488681
                3d
                   -2 :              -0.00000287148395
                   -1 :               0.00001881369149
                   +0 :               0.00000574472234
                   +1 :              -0.00000572264579
                   +2 :               0.00000424599297
              9 vec=     2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001719844835
                2s
                   +0 :               0.00010470869360
                3s
                   +0 :              -0.00007859404388
                2p
                   -1 :               0.00007477268970
                   +0 :              -0.00013567518084
                   +1 :               0.00002438504934
                3p
                   -1 :              -0.00003444217984
                   +0 :               0.00016339638724
                   +1 :               0.00000943162947
                3d
                   -2 :              -0.00001256703560
                   -1 :               0.00000267992790
                   +0 :              -0.00002258986149
                   +1 :               0.00000585996459
                   +2 :               0.00000255620418
             10 vec=     2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000411619227
                2s
                   +0 :              -0.00001366463327
                3s
                   +0 :              -0.00004029288544
                2p
                   -1 :              -0.00000884058481
                   +0 :               0.00005839837697
                   +1 :               0.00002639614237
                3p
                   -1 :               0.00003195037510
                   +0 :              -0.00010876296822
                   +1 :               0.00000402534188
                3d
                   -2 :               0.00001032294442
                   -1 :               0.00000192046219
                   +0 :              -0.00001015215347
                   +1 :              -0.00000585329077
                   +2 :              -0.00000741794447
             11 vec=    10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000983626339
                2s
                   +0 :              -0.00004378686424
                3s
                   +0 :               0.00003448312864
                2p
                   -1 :               0.00012981133334
                   +0 :               0.00010709773288
                   +1 :               0.00001768925036
                3p
                   -1 :              -0.00012408593161
                   +0 :              -0.00007834092559
                   +1 :               0.00000830851187
                3d
                   -2 :              -0.00000289617802
                   -1 :               0.00001319708225
                   +0 :               0.00000899699858
                   +1 :              -0.00000567409270
                   +2 :               0.00000952575149
             12 vec=    10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000285236867
                2s
                   +0 :               0.00004727442412
                3s
                   +0 :               0.00001339027440
                2p
                   -1 :               0.00008674296786
                   +0 :              -0.00001627746187
                   +1 :               0.00010209111752
                3p
                   -1 :              -0.00006691462041
                   +0 :               0.00003402953821
                   +1 :              -0.00005346383613
                3d
                   -2 :              -0.00000116157790
                   -1 :              -0.00000380071571
                   +0 :               0.00000343269620
                   +1 :               0.00000154682598
                   +2 :               0.00000102777102
             13 vec=    10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001667451037
                2s
                   +0 :               0.00007093116798
                3s
                   +0 :              -0.00006845265365
                2p
                   -1 :               0.00003056908216
                   +0 :              -0.00007222589225
                   +1 :              -0.00002668665757
                3p
                   -1 :               0.00001142305630
                   +0 :               0.00009598554633
                   +1 :               0.00000387830327
                3d
                   -2 :              -0.00000083279084
                   -1 :               0.00000448782981
                   +0 :              -0.00000783985640
                   +1 :               0.00000323942706
                   +2 :               0.00000616714140
             14 vec=    10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000431346551
                2s
                   +0 :              -0.00006655430937
                3s
                   +0 :               0.00001178477385
                2p
                   -1 :              -0.00000159633333
                   +0 :              -0.00004657843002
                   +1 :              -0.00002288805536
                3p
                   -1 :              -0.00001288411422
                   +0 :              -0.00000690410166
                   +1 :              -0.00000301585250
                3d
                   -2 :              -0.00000011703041
                   -1 :              -0.00000151186993
                   +0 :              -0.00000376669093
                   +1 :              -0.00000164123747
                   +2 :               0.00000035437401
WF             site_B          number of pairs
WF( 48)=[O_15_2py]  to site O ( 30)  npairs=  18
              1 vec=     0.000000      3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00000323711699
                2s
                   +0 :               0.00013359910031
                3s
                   +0 :               0.00003333125748
                2p
                   -1 :              -0.00024761915643
                   +0 :               0.00012958468752
                   +1 :              -0.00019574177677
                3p
                   -1 :               0.00016611414700
                   +0 :              -0.00016235915411
                   +1 :               0.00015873555526
                3d
                   -2 :               0.00000424941535
                   -1 :              -0.00000758640577
                   +0 :              -0.00002426864185
                   +1 :               0.00001247836638
                   +2 :              -0.00000983281267
              2 vec=     0.000000      3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00000356881163
                2s
                   +0 :               0.00009958865137
                3s
                   +0 :               0.00004244099255
                2p
                   -1 :              -0.00015271517800
                   +0 :              -0.00016590783065
                   +1 :               0.00021837939771
                3p
                   -1 :               0.00008875477711
                   +0 :               0.00024075215670
                   +1 :              -0.00016561437108
                3d
                   -2 :              -0.00000131057135
                   -1 :              -0.00000300114315
                   +0 :              -0.00000591347640
                   +1 :               0.00001013552018
                   +2 :              -0.00002082649786
              3 vec=     0.000000     -5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00007611229415
                2s
                   +0 :              -0.00056854779946
                3s
                   +0 :               0.00016890162613
                2p
                   -1 :              -0.00008187117228
                   +0 :               0.00046229529574
                   +1 :               0.00039325314038
                3p
                   -1 :               0.00012333234497
                   +0 :              -0.00019408897556
                   +1 :              -0.00029704897052
                3d
                   -2 :              -0.00000333268027
                   -1 :              -0.00001285403392
                   +0 :               0.00000948593005
                   +1 :               0.00003309498125
                   +2 :              -0.00001954570999
              4 vec=     0.000000     -5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00004867590284
                2s
                   +0 :              -0.00045877589756
                3s
                   +0 :               0.00005932621869
                2p
                   -1 :              -0.00019327076349
                   +0 :              -0.00043656734808
                   +1 :              -0.00028273141368
                3p
                   -1 :               0.00021834475859
                   +0 :               0.00015903914241
                   +1 :               0.00019078764090
                3d
                   -2 :              -0.00000065791366
                   -1 :               0.00002096305254
                   +0 :              -0.00000626150253
                   +1 :               0.00003051722313
                   +2 :              -0.00001617584266
              5 vec=    -7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004218750835
                2s
                   +0 :              -0.00049905096808
                3s
                   +0 :               0.00007200061352
                2p
                   -1 :              -0.00002964593565
                   +0 :               0.00056284307167
                   +1 :               0.00028584920352
                3p
                   -1 :               0.00003504931158
                   +0 :              -0.00016334808032
                   +1 :              -0.00014675063181
                3d
                   -2 :               0.00000378079028
                   -1 :              -0.00000163560534
                   +0 :              -0.00000229696618
                   +1 :              -0.00000227700156
                   +2 :              -0.00000565496028
              6 vec=    -7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001687331366
                2s
                   +0 :              -0.00016358598236
                3s
                   +0 :               0.00006242716096
                2p
                   -1 :              -0.00013953194428
                   +0 :              -0.00026281085149
                   +1 :               0.00005462569106
                3p
                   -1 :               0.00011012167446
                   +0 :               0.00010124543833
                   +1 :              -0.00002135010310
                3d
                   -2 :              -0.00000106813109
                   -1 :              -0.00000508790814
                   +0 :               0.00000294624580
                   +1 :              -0.00000902760606
                   +2 :               0.00000733000503
              7 vec=     7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001315499333
                2s
                   +0 :              -0.00021428600515
                3s
                   +0 :               0.00001178893671
                2p
                   -1 :              -0.00026037902152
                   +0 :               0.00023188956702
                   +1 :              -0.00011172046713
                3p
                   -1 :               0.00023868175813
                   +0 :               0.00000087944988
                   +1 :               0.00004089238316
                3d
                   -2 :               0.00000818900949
                   -1 :              -0.00001797576943
                   +0 :              -0.00001741543228
                   +1 :               0.00000184015627
                   +2 :               0.00000736663547
              8 vec=     7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00000200520145
                2s
                   +0 :              -0.00010188765501
                3s
                   +0 :               0.00000290167202
                2p
                   -1 :              -0.00007049083938
                   +0 :              -0.00031551905201
                   +1 :              -0.00013412004485
                3p
                   -1 :               0.00006293183866
                   +0 :               0.00010799735222
                   +1 :               0.00006502185424
                3d
                   -2 :               0.00000047398514
                   -1 :               0.00000432920369
                   +0 :              -0.00000353177260
                   +1 :              -0.00000435659748
                   +2 :              -0.00000100878131
              9 vec=    -7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000152616846
                2s
                   +0 :               0.00004860034676
                3s
                   +0 :               0.00002349311450
                2p
                   -1 :               0.00007755911057
                   +0 :               0.00012166429772
                   +1 :               0.00008461626599
                3p
                   -1 :              -0.00005185809411
                   +0 :              -0.00020953527404
                   +1 :              -0.00011462221900
                3d
                   -2 :               0.00001116438831
                   -1 :               0.00000083795184
                   +0 :               0.00001419880112
                   +1 :               0.00000809222726
                   +2 :               0.00000477656929
             10 vec=    -7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000095784331
                2s
                   +0 :               0.00001133387456
                3s
                   +0 :               0.00000968091330
                2p
                   -1 :              -0.00008636660314
                   +0 :               0.00003899839068
                   +1 :              -0.00003043599401
                3p
                   -1 :               0.00006322196481
                   +0 :               0.00001916262970
                   +1 :               0.00000538475772
                3d
                   -2 :              -0.00000121836606
                   -1 :               0.00000051204191
                   +0 :              -0.00000179017647
                   +1 :              -0.00000239717716
                   +2 :              -0.00000651683677
             11 vec=     7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000014131080
                2s
                   +0 :               0.00001395966779
                3s
                   +0 :               0.00000542113160
                2p
                   -1 :              -0.00007628380106
                   +0 :              -0.00005334536224
                   +1 :               0.00006518251840
                3p
                   -1 :               0.00005070080861
                   +0 :              -0.00000940863699
                   +1 :              -0.00002771814976
                3d
                   -2 :               0.00000141737884
                   -1 :              -0.00000310720942
                   +0 :              -0.00000186990185
                   +1 :              -0.00000138150539
                   +2 :              -0.00000629167791
             12 vec=     7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000799995763
                2s
                   +0 :               0.00010749594042
                3s
                   +0 :              -0.00002143356537
                2p
                   -1 :               0.00000720471624
                   +0 :              -0.00003245992465
                   +1 :              -0.00001709247621
                3p
                   -1 :               0.00000963550127
                   +0 :               0.00010263798688
                   +1 :               0.00005157018409
                3d
                   -2 :              -0.00000951477765
                   -1 :               0.00000665888526
                   +0 :               0.00001530254128
                   +1 :               0.00000566910497
                   +2 :               0.00000252797162
             13 vec=     0.000000     12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001857689322
                2s
                   +0 :               0.00018621657062
                3s
                   +0 :              -0.00003197939386
                2p
                   -1 :               0.00011167168397
                   +0 :              -0.00007302860830
                   +1 :              -0.00006120133211
                3p
                   -1 :              -0.00000990434004
                   +0 :              -0.00000917371353
                   +1 :               0.00005169451296
                3d
                   -2 :               0.00000474827714
                   -1 :              -0.00000244918778
                   +0 :               0.00000313200985
                   +1 :               0.00000104036011
                   +2 :              -0.00000504948169
             14 vec=     0.000000     12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001159510600
                2s
                   +0 :               0.00012190458719
                3s
                   +0 :              -0.00002468045824
                2p
                   -1 :               0.00010966229581
                   +0 :               0.00007111244714
                   +1 :               0.00004337276182
                3p
                   -1 :              -0.00000060219215
                   +0 :              -0.00001704343856
                   +1 :              -0.00005433340950
                3d
                   -2 :              -0.00000251273623
                   -1 :               0.00000490069402
                   +0 :               0.00000046044675
                   +1 :              -0.00000003031365
                   +2 :              -0.00000539574829
             15 vec=    -7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002680668588
                2s
                   +0 :              -0.00019602031733
                3s
                   +0 :               0.00007795384822
                2p
                   -1 :               0.00003342379646
                   +0 :               0.00009670150984
                   +1 :               0.00005051710671
                3p
                   -1 :              -0.00002503194100
                   +0 :              -0.00003144536807
                   +1 :              -0.00001253051227
                3d
                   -2 :              -0.00000613041445
                   -1 :               0.00000525337649
                   +0 :               0.00000183663710
                   +1 :              -0.00000384110768
                   +2 :              -0.00000331905563
             16 vec=    -7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000163214777
                2s
                   +0 :              -0.00001741391762
                3s
                   +0 :               0.00000704417133
                2p
                   -1 :              -0.00001248287278
                   +0 :               0.00001643806519
                   +1 :               0.00000488975042
                3p
                   -1 :               0.00000919258148
                   +0 :              -0.00000414819196
                   +1 :              -0.00001834490450
                3d
                   -2 :               0.00000417450853
                   -1 :               0.00000046238227
                   +0 :              -0.00000101297747
                   +1 :              -0.00000308809010
                   +2 :               0.00000410913960
             17 vec=     7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001044713116
                2s
                   +0 :              -0.00009081597265
                3s
                   +0 :               0.00004213908595
                2p
                   -1 :               0.00000528814761
                   +0 :               0.00002281426710
                   +1 :              -0.00010695766044
                3p
                   -1 :              -0.00000936170176
                   +0 :              -0.00000017194859
                   +1 :               0.00009365084270
                3d
                   -2 :              -0.00001307810204
                   -1 :               0.00000333863310
                   +0 :               0.00000033076864
                   +1 :              -0.00000946296337
                   +2 :               0.00000455059723
             18 vec=     7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002835219359
                2s
                   +0 :              -0.00022116123072
                3s
                   +0 :               0.00007977574325
                2p
                   -1 :               0.00006524918009
                   +0 :              -0.00013742398898
                   +1 :              -0.00012957628039
                3p
                   -1 :              -0.00003053388503
                   +0 :               0.00005093741471
                   +1 :               0.00006297024283
                3d
                   -2 :               0.00000070537030
                   -1 :              -0.00000321685183
                   +0 :               0.00000004619737
                   +1 :              -0.00000154236350
                   +2 :              -0.00000453849816
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al(  1)  npairs=  15
              1 vec=    -2.593388      1.739555     10.693237   |vec|=   11.139884
                2s
                   +0 :               0.00031351319731
                2p
                   -1 :               0.00036046932084
                   +0 :               0.00032631927820
                   +1 :              -0.00034433000492
                3s
                   +0 :              -0.00037249975132
                4s
                   +0 :               0.00085258830042
                3p
                   -1 :              -0.00166193326138
                   +0 :              -0.00176956573545
                   +1 :               0.00215960720941
                4p
                   -1 :               0.00033885768573
                   +0 :               0.00098555334232
                   +1 :              -0.00030827067625
                3d
                   -2 :              -0.00005668908624
                   -1 :              -0.00034937437429
                   +0 :              -0.00070162274065
                   +1 :               0.00056607113052
                   +2 :               0.00008489640719
              2 vec=     5.186775     -2.752324     10.693237   |vec|=   12.199313
                2s
                   +0 :               0.00006228715548
                2p
                   -1 :               0.00007994282397
                   +0 :               0.00001488705014
                   +1 :               0.00001199970103
                3s
                   +0 :               0.00061509566394
                4s
                   +0 :              -0.00017415593086
                3p
                   -1 :              -0.00097535624196
                   +0 :               0.00061355721604
                   +1 :               0.00041840025011
                4p
                   -1 :               0.00002671549143
                   +0 :              -0.00012903387772
                   +1 :              -0.00006963137579
                3d
                   -2 :               0.00038168673617
                   -1 :              -0.00015545546957
                   +0 :               0.00016614118616
                   +1 :              -0.00021948754017
                   +2 :              -0.00050330199762
              3 vec=    -2.593388     -7.244203     10.693237   |vec|=   13.173817
                2s
                   +0 :              -0.00015857753374
                2p
                   -1 :              -0.00021172173613
                   +0 :               0.00002366153408
                   +1 :               0.00012859966834
                3s
                   +0 :               0.00214941055448
                4s
                   +0 :              -0.00029071497679
                3p
                   -1 :              -0.00022585729272
                   +0 :               0.00093124026384
                   +1 :              -0.00077242351583
                4p
                   -1 :              -0.00015352301548
                   +0 :              -0.00005734029889
                   +1 :               0.00016319402393
                3d
                   -2 :               0.00007165233228
                   -1 :              -0.00017465832738
                   +0 :               0.00019847785587
                   +1 :              -0.00017025600502
                   +2 :              -0.00021367622942
              4 vec=     5.186775      6.231434     10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00024333755225
                2p
                   -1 :               0.00002541653497
                   +0 :               0.00006538760422
                   +1 :               0.00000823202974
                3s
                   +0 :               0.00244106003356
                4s
                   +0 :              -0.00031238288856
                3p
                   -1 :               0.00067007541461
                   +0 :               0.00066766298353
                   +1 :               0.00106306113594
                4p
                   -1 :              -0.00009095262174
                   +0 :               0.00005125492927
                   +1 :              -0.00000165494023
                3d
                   -2 :               0.00031305399424
                   -1 :               0.00016562119752
                   +0 :               0.00006205402022
                   +1 :               0.00041501603714
                   +2 :               0.00015805855879
              5 vec=    -2.593388      1.739555    -13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00000101231413
                2p
                   -1 :               0.00001950594915
                   +0 :              -0.00001268446175
                   +1 :               0.00010413125679
                3s
                   +0 :              -0.00011629156166
                4s
                   +0 :               0.00006948878816
                3p
                   -1 :              -0.00002350179444
                   +0 :              -0.00001050109075
                   +1 :              -0.00050976340887
                4p
                   -1 :               0.00000804109954
                   +0 :              -0.00000703805225
                   +1 :               0.00008608250848
                3d
                   -2 :               0.00004873013488
                   -1 :               0.00004981699184
                   +0 :               0.00002044063193
                   +1 :               0.00009062222480
                   +2 :               0.00007492766794
              6 vec=     5.186775     -2.752324    -13.854306   |vec|=   15.047249
                2s
                   +0 :               0.00015819782929
                2p
                   -1 :              -0.00006670950610
                   +0 :              -0.00002036923777
                   +1 :               0.00011786360967
                3s
                   +0 :              -0.00042201477672
                4s
                   +0 :               0.00007347875419
                3p
                   -1 :               0.00026316734744
                   +0 :               0.00000480691065
                   +1 :              -0.00034335485319
                4p
                   -1 :              -0.00005515365435
                   +0 :              -0.00000964917570
                   +1 :               0.00001428793413
                3d
                   -2 :               0.00012639799568
                   -1 :               0.00001498112829
                   +0 :               0.00007232248463
                   +1 :               0.00002035786881
                   +2 :              -0.00005349409796
              7 vec=   -10.373550     -2.752324     10.693237   |vec|=   15.150285
                2s
                   +0 :               0.00011661022363
                2p
                   -1 :              -0.00001748277713
                   +0 :               0.00003973892859
                   +1 :               0.00001471501464
                3s
                   +0 :              -0.00021667838310
                4s
                   +0 :               0.00000136894925
                3p
                   -1 :               0.00001880711986
                   +0 :              -0.00022579875828
                   +1 :              -0.00015338096440
                4p
                   -1 :               0.00005937667464
                   +0 :               0.00002885408516
                   +1 :               0.00008897246239
                3d
                   -2 :               0.00004088069169
                   -1 :               0.00001809312830
                   +0 :              -0.00004241583469
                   +1 :               0.00001045861450
                   +2 :              -0.00001689380760
              8 vec=    -2.593388     10.723313     10.693237   |vec|=   15.364258
                2s
                   +0 :              -0.00004457052667
                2p
                   -1 :              -0.00002887971214
                   +0 :               0.00001997346924
                   +1 :              -0.00000189570519
                3s
                   +0 :               0.00031130782735
                4s
                   +0 :              -0.00012001069849
                3p
                   -1 :               0.00024093527528
                   +0 :              -0.00010014091447
                   +1 :              -0.00012023378822
                4p
                   -1 :              -0.00009453263829
                   +0 :               0.00002386870916
                   +1 :               0.00004156056404
                3d
                   -2 :              -0.00004885006729
                   -1 :               0.00004392421118
                   +0 :              -0.00002080738131
                   +1 :              -0.00003984792564
                   +2 :               0.00000522986894
              9 vec=    -2.593388     -7.244203    -13.854306   |vec|=   15.847584
                2s
                   +0 :               0.00007830170756
                2p
                   -1 :              -0.00002317674548
                   +0 :              -0.00001012352858
                   +1 :               0.00002002973079
                3s
                   +0 :              -0.00046758647537
                4s
                   +0 :               0.00012975890190
                3p
                   -1 :               0.00022657528490
                   +0 :               0.00015213946388
                   +1 :               0.00008702511366
                4p
                   -1 :              -0.00003872187291
                   +0 :              -0.00007630501168
                   +1 :               0.00000391116217
                3d
                   -2 :              -0.00004260449400
                   -1 :              -0.00004970689379
                   +0 :              -0.00000432365824
                   +1 :              -0.00001607132600
                   +2 :              -0.00006284277307
             10 vec=     5.186775      6.231434    -13.854306   |vec|=   16.052264
                2s
                   +0 :              -0.00005188810927
                2p
                   -1 :              -0.00002731250632
                   +0 :               0.00001728858502
                   +1 :               0.00002648655634
                3s
                   +0 :              -0.00021818716276
                4s
                   +0 :               0.00003636694645
                3p
                   -1 :              -0.00015972503850
                   +0 :               0.00006935530471
                   +1 :              -0.00012994960847
                4p
                   -1 :              -0.00004158870045
                   +0 :              -0.00005656583088
                   +1 :               0.00005332544052
                3d
                   -2 :              -0.00005430173876
                   -1 :              -0.00004178234548
                   +0 :               0.00000878475788
                   +1 :               0.00004588589273
                   +2 :               0.00009874894203
             11 vec=   -10.373550      6.231434     10.693237   |vec|=   16.148889
                2s
                   +0 :               0.00008150434745
                2p
                   -1 :               0.00001611765336
                   +0 :               0.00004190574122
                   +1 :              -0.00006112822221
                3s
                   +0 :              -0.00013647623351
                4s
                   +0 :               0.00007316196365
                3p
                   -1 :              -0.00007652747968
                   +0 :              -0.00007755138925
                   +1 :               0.00022971435124
                4p
                   -1 :               0.00003129250600
                   +0 :               0.00003133431089
                   +1 :              -0.00005555717627
                3d
                   -2 :              -0.00000431422333
                   -1 :              -0.00002138091784
                   +0 :               0.00003669629920
                   +1 :               0.00000576545364
                   +2 :               0.00000043540044
             12 vec=     5.186775    -11.736082     10.693237   |vec|=   16.702801
                2s
                   +0 :               0.00006502343638
                2p
                   -1 :              -0.00000239641777
                   +0 :               0.00004731478969
                   +1 :               0.00002549294383
                3s
                   +0 :              -0.00020244074170
                4s
                   +0 :               0.00006562060464
                3p
                   -1 :               0.00009897564311
                   +0 :              -0.00024315950355
                   +1 :              -0.00010857003859
                4p
                   -1 :              -0.00001291006885
                   +0 :               0.00005708440075
                   +1 :               0.00000830061106
                3d
                   -2 :               0.00004199472160
                   -1 :               0.00004791248978
                   +0 :              -0.00006890364770
                   +1 :              -0.00001840027675
                   +2 :              -0.00001124137622
             13 vec=    12.966938      1.739555     10.693237   |vec|=   16.897125
                2s
                   +0 :               0.00000854143990
                2p
                   -1 :               0.00000792524546
                   +0 :               0.00000215960104
                   +1 :               0.00003915093888
                3s
                   +0 :               0.00003559569753
                4s
                   +0 :               0.00002308265486
                3p
                   -1 :              -0.00001545925829
                   +0 :               0.00001569705579
                   +1 :              -0.00020925811441
                4p
                   -1 :               0.00000674641975
                   +0 :               0.00000958678338
                   +1 :               0.00006171837191
                3d
                   -2 :               0.00001128971708
                   -1 :               0.00000053882099
                   +0 :               0.00001023922264
                   +1 :              -0.00002805333508
                   +2 :              -0.00002619958494
             14 vec=   -10.373550     -2.752324    -13.854306   |vec|=   17.525057
                2s
                   +0 :              -0.00001336793467
                2p
                   -1 :               0.00002032370213
                   +0 :               0.00001849329072
                   +1 :               0.00002551688666
                3s
                   +0 :              -0.00043938852465
                4s
                   +0 :              -0.00001314517562
                3p
                   -1 :               0.00017003494231
                   +0 :               0.00003298326907
                   +1 :               0.00023113578981
                4p
                   -1 :               0.00000510799704
                   +0 :               0.00000925337102
                   +1 :               0.00003347366761
                3d
                   -2 :              -0.00011827419950
                   -1 :              -0.00002683427526
                   +0 :               0.00006245294158
                   +1 :              -0.00003428918045
                   +2 :              -0.00005366117598
             15 vec=    -2.593388     10.723313    -13.854306   |vec|=   17.710361
                2s
                   +0 :              -0.00000605195784
                2p
                   -1 :              -0.00001261719983
                   +0 :               0.00000018872878
                   +1 :               0.00001666316314
                3s
                   +0 :              -0.00022885027720
                4s
                   +0 :               0.00002124292351
                3p
                   -1 :              -0.00012460996508
                   +0 :               0.00007034508008
                   +1 :              -0.00002605219177
                4p
                   -1 :              -0.00000056380742
                   +0 :              -0.00001898049614
                   +1 :               0.00002733979700
                3d
                   -2 :               0.00002708014566
                   -1 :               0.00002020768669
                   +0 :               0.00001668743139
                   +1 :              -0.00000922351164
                   +2 :               0.00001077251856
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al(  2)  npairs=  13
              1 vec=    -2.593388      1.739555     -6.601980   |vec|=    7.303276
                2s
                   +0 :               0.00170917483941
                2p
                   -1 :               0.00064316733356
                   +0 :              -0.00128123918447
                   +1 :              -0.00086548414690
                3s
                   +0 :              -0.00699629510127
                4s
                   +0 :               0.00247051241125
                3p
                   -1 :              -0.00112665576166
                   +0 :              -0.00042450264495
                   +1 :               0.00079935534585
                4p
                   -1 :               0.00007136764748
                   +0 :              -0.00170414527134
                   +1 :              -0.00027637028770
                3d
                   -2 :              -0.00265600888918
                   -1 :              -0.00134233029287
                   +0 :               0.00277554030678
                   +1 :               0.00219518710589
                   +2 :               0.00224686357872
              2 vec=     5.186775     -2.752324     -6.601980   |vec|=    8.835387
                2s
                   +0 :               0.00127932018523
                2p
                   -1 :              -0.00022014789141
                   +0 :               0.00007413643674
                   +1 :              -0.00025178233680
                3s
                   +0 :              -0.01680705649344
                4s
                   +0 :               0.00042326448982
                3p
                   -1 :               0.00682931669160
                   +0 :               0.00836582835000
                   +1 :              -0.00775744637650
                4p
                   -1 :              -0.00034630078079
                   +0 :               0.00049175964191
                   +1 :              -0.00068225054441
                3d
                   -2 :               0.00267709567022
                   -1 :              -0.00245193138918
                   +0 :              -0.00063649867081
                   +1 :               0.00362306169928
                   +2 :              -0.00112256055278
              3 vec=    -2.593388     -7.244203     -6.601980   |vec|=   10.138554
                2s
                   +0 :              -0.00064608998414
                2p
                   -1 :              -0.00056523755423
                   +0 :               0.00039031984071
                   +1 :               0.00053025258115
                3s
                   +0 :              -0.00055252900601
                4s
                   +0 :               0.00107729993406
                3p
                   -1 :               0.00405232935901
                   +0 :              -0.00111570333495
                   +1 :              -0.00163571104001
                4p
                   -1 :              -0.00146036827797
                   +0 :              -0.00024588691115
                   +1 :               0.00020550546251
                3d
                   -2 :              -0.00052989830960
                   -1 :              -0.00025229313090
                   +0 :              -0.00040203345298
                   +1 :               0.00027504205624
                   +2 :               0.00124049720002
              4 vec=     5.186775      6.231434     -6.601980   |vec|=   10.455599
                2s
                   +0 :               0.00047720681413
                2p
                   -1 :               0.00010377506116
                   +0 :              -0.00001102493000
                   +1 :               0.00017607764731
                3s
                   +0 :              -0.00241503690537
                4s
                   +0 :               0.00080957109661
                3p
                   -1 :              -0.00142137457096
                   +0 :              -0.00022924083566
                   +1 :              -0.00129990361250
                4p
                   -1 :               0.00047689143728
                   +0 :               0.00007294995115
                   +1 :               0.00045948348975
                3d
                   -2 :              -0.00037970931742
                   -1 :               0.00003106462878
                   +0 :              -0.00024848693078
                   +1 :               0.00011931701968
                   +2 :               0.00018346164583
              5 vec=   -10.373550     -2.752324     -6.601980   |vec|=   12.600475
                2s
                   +0 :               0.00031257712564
                2p
                   -1 :              -0.00005910806080
                   +0 :              -0.00011367771284
                   +1 :              -0.00006502469258
                3s
                   +0 :              -0.00080367744917
                4s
                   +0 :               0.00006137293538
                3p
                   -1 :               0.00039353094518
                   +0 :               0.00074674503385
                   +1 :              -0.00020960845455
                4p
                   -1 :              -0.00006371687577
                   +0 :              -0.00007187386861
                   +1 :               0.00019740476339
                3d
                   -2 :              -0.00003017295597
                   -1 :              -0.00016972149141
                   +0 :              -0.00029791470480
                   +1 :              -0.00014159995273
                   +2 :               0.00019092020207
              6 vec=    -2.593388     10.723313     -6.601980   |vec|=   12.856953
                2s
                   +0 :              -0.00039455478545
                2p
                   -1 :              -0.00016045791506
                   +0 :               0.00011723784067
                   +1 :               0.00007247054283
                3s
                   +0 :               0.00126009718927
                4s
                   +0 :              -0.00040742214240
                3p
                   -1 :               0.00089710018699
                   +0 :              -0.00049519860837
                   +1 :              -0.00049999345910
                4p
                   -1 :              -0.00015692128624
                   +0 :               0.00015306768140
                   +1 :               0.00006390837315
                3d
                   -2 :              -0.00007374416079
                   -1 :              -0.00015878660114
                   +0 :              -0.00006636049771
                   +1 :               0.00001024198145
                   +2 :              -0.00009016937344
              7 vec=   -10.373550      6.231434     -6.601980   |vec|=   13.785044
                2s
                   +0 :              -0.00014318840807
                2p
                   -1 :               0.00001177669318
                   +0 :               0.00008986431272
                   +1 :               0.00000296693341
                3s
                   +0 :               0.00023806532264
                4s
                   +0 :              -0.00016665068748
                3p
                   -1 :              -0.00018337363594
                   +0 :              -0.00051315854483
                   +1 :               0.00008272970364
                4p
                   -1 :               0.00005733857244
                   +0 :               0.00010164767686
                   +1 :               0.00004871117686
                3d
                   -2 :               0.00008019344596
                   -1 :              -0.00005283781962
                   +0 :              -0.00002649179731
                   +1 :               0.00006210734034
                   +2 :              -0.00002322562311
              8 vec=     5.186775    -11.736082     -6.601980   |vec|=   14.429982
                2s
                   +0 :              -0.00010736790501
                2p
                   -1 :               0.00001169282601
                   +0 :              -0.00003432051626
                   +1 :              -0.00002546076096
                3s
                   +0 :               0.00038216134322
                4s
                   +0 :              -0.00014709727826
                3p
                   -1 :               0.00005828161707
                   +0 :               0.00007299778222
                   +1 :               0.00017295875929
                4p
                   -1 :              -0.00002897507831
                   +0 :               0.00004167201204
                   +1 :              -0.00001956763078
                3d
                   -2 :              -0.00001166560358
                   -1 :              -0.00000022255348
                   +0 :               0.00006099367817
                   +1 :               0.00002082307340
                   +2 :               0.00011467085842
              9 vec=    12.966938      1.739555     -6.601980   |vec|=   14.654476
                2s
                   +0 :              -0.00004485788752
                2p
                   -1 :              -0.00002342833156
                   +0 :               0.00000366688262
                   +1 :              -0.00003199425038
                3s
                   +0 :               0.00007846979273
                4s
                   +0 :               0.00007896002507
                3p
                   -1 :              -0.00001655627881
                   +0 :               0.00005301922085
                   +1 :               0.00022625896401
                4p
                   -1 :               0.00003149098312
                   +0 :              -0.00003504931531
                   +1 :              -0.00001901545908
                3d
                   -2 :               0.00001501174918
                   -1 :               0.00002697833773
                   +0 :              -0.00000929564475
                   +1 :               0.00000674458290
                   +2 :               0.00001680595707
             10 vec=    12.966938     -7.244203     -6.601980   |vec|=   16.254417
                2s
                   +0 :               0.00007704894088
                2p
                   -1 :               0.00000407323797
                   +0 :              -0.00004271036902
                   +1 :               0.00001721144963
                3s
                   +0 :              -0.00025562762711
                4s
                   +0 :               0.00005202178783
                3p
                   -1 :              -0.00008991143031
                   +0 :               0.00020690554760
                   +1 :              -0.00008623028571
                4p
                   -1 :               0.00005357887232
                   +0 :              -0.00004750983327
                   +1 :               0.00000297897635
                3d
                   -2 :              -0.00000496258904
                   -1 :              -0.00002218567601
                   +0 :              -0.00003801847636
                   +1 :               0.00002700400846
                   +2 :              -0.00002105878093
             11 vec=   -10.373550    -11.736082     -6.601980   |vec|=   16.998009
                2s
                   +0 :               0.00002316183412
                2p
                   -1 :               0.00000168178593
                   +0 :               0.00001982481656
                   +1 :               0.00000313954303
                3s
                   +0 :               0.00000548917409
                4s
                   +0 :              -0.00004691208066
                3p
                   -1 :              -0.00001685469743
                   +0 :              -0.00012166935262
                   +1 :              -0.00005946512035
                4p
                   -1 :               0.00001636553756
                   +0 :               0.00003433321756
                   +1 :               0.00004295095246
                3d
                   -2 :              -0.00002076990795
                   -1 :               0.00002288079483
                   +0 :               0.00001690260983
                   +1 :               0.00001712233385
                   +2 :               0.00003041921827
             12 vec=     5.186775     15.215192     -6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00002166211577
                2p
                   -1 :              -0.00000262027775
                   +0 :              -0.00003894901596
                   +1 :              -0.00002427112952
                3s
                   +0 :              -0.00012794540999
                4s
                   +0 :               0.00001743121256
                3p
                   -1 :              -0.00000015696623
                   +0 :               0.00019848007009
                   +1 :               0.00013059626892
                4p
                   -1 :              -0.00001862292893
                   +0 :              -0.00003781668542
                   +1 :              -0.00003579357184
                3d
                   -2 :               0.00003444229838
                   -1 :               0.00004298703083
                   +0 :              -0.00003715622591
                   +1 :               0.00001368427084
                   +2 :               0.00000149725837
             13 vec=    -2.593388    -16.227961     -6.601980   |vec|=   17.710407
                2s
                   +0 :               0.00001221921740
                2p
                   -1 :              -0.00001380320487
                   +0 :               0.00002727143615
                   +1 :               0.00002729786638
                3s
                   +0 :              -0.00010610741516
                4s
                   +0 :               0.00009031809918
                3p
                   -1 :               0.00012167033520
                   +0 :              -0.00011236112035
                   +1 :              -0.00017069070309
                4p
                   -1 :              -0.00006012638953
                   +0 :               0.00000957011749
                   +1 :               0.00005184187758
                3d
                   -2 :               0.00001165568416
                   -1 :               0.00004099042739
                   +0 :              -0.00002176430883
                   +1 :              -0.00000239817061
                   +2 :               0.00002508062617
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Cr(  3)  npairs=  14
              1 vec=    -2.593388      1.739555      5.671791   |vec|=    6.474637
                3s
                   +0 :               0.00717705386906
                3p
                   -1 :               0.00193176122615
                   +0 :               0.00270203045323
                   +1 :              -0.00183265384473
                4s
                   +0 :              -0.01275843964500
                5s
                   +0 :               0.00310786482025
                3d
                   -2 :              -0.00088631051616
                   -1 :               0.00130806554899
                   +0 :              -0.00078074568001
                   +1 :              -0.00051852565158
                   +2 :              -0.00066381704569
                4d
                   -2 :              -0.00048013884871
                   -1 :              -0.00229879306283
                   +0 :              -0.00337685699640
                   +1 :               0.00304477715431
                   +2 :               0.00063115567860
                4p
                   -1 :              -0.00175670388462
                   +0 :              -0.00398369884671
                   +1 :               0.00143197062183
              2 vec=     5.186775     -2.752324      5.671791   |vec|=    8.163770
                3s
                   +0 :              -0.00290799798472
                3p
                   -1 :               0.00187959496761
                   +0 :              -0.00086928937056
                   +1 :              -0.00164270936461
                4s
                   +0 :              -0.00267626570526
                5s
                   +0 :              -0.00052330591002
                3d
                   -2 :               0.00538689635384
                   -1 :               0.00238398493958
                   +0 :               0.00317705082939
                   +1 :              -0.00139551616431
                   +2 :               0.00006220542295
                4d
                   -2 :               0.00053591209031
                   -1 :              -0.00076608921865
                   +0 :               0.00037622176588
                   +1 :               0.00058207442254
                   +2 :               0.00029944187498
                4p
                   -1 :               0.00148949249131
                   +0 :               0.00132508011583
                   +1 :              -0.00180334239233
              3 vec=    -2.593388     -7.244203      5.671791   |vec|=    9.558941
                3s
                   +0 :              -0.00038291921401
                3p
                   -1 :              -0.00115045139838
                   +0 :               0.00005785597801
                   +1 :               0.00054660935070
                4s
                   +0 :               0.00022762829047
                5s
                   +0 :               0.00000835276160
                3d
                   -2 :               0.00131596475682
                   -1 :              -0.00146364872292
                   +0 :              -0.00004280334764
                   +1 :              -0.00039634148655
                   +2 :              -0.00120999556029
                4d
                   -2 :              -0.00093589070932
                   -1 :               0.00099896353619
                   +0 :              -0.00003720775997
                   +1 :              -0.00000140950081
                   +2 :               0.00080770742692
                4p
                   -1 :               0.00192921037176
                   +0 :              -0.00001907931499
                   +1 :              -0.00124509103649
              4 vec=     5.186775      6.231434      5.671791   |vec|=    9.894576
                3s
                   +0 :               0.00021085529100
                3p
                   -1 :              -0.00031504344144
                   +0 :               0.00039993061163
                   +1 :               0.00002371981523
                4s
                   +0 :              -0.00067740149589
                5s
                   +0 :               0.00000039370761
                3d
                   -2 :              -0.00078987263027
                   -1 :              -0.00003585185438
                   +0 :               0.00019315227952
                   +1 :               0.00014159472055
                   +2 :               0.00037104377183
                4d
                   -2 :               0.00034718832715
                   -1 :              -0.00038439600499
                   +0 :              -0.00027811753066
                   +1 :              -0.00035487769538
                   +2 :              -0.00026384945605
                4p
                   -1 :               0.00033390269843
                   +0 :              -0.00098864208064
                   +1 :              -0.00037405871301
              5 vec=   -10.373550     -2.752324      5.671791   |vec|=   12.138989
                3s
                   +0 :              -0.00044812245193
                3p
                   -1 :               0.00020613622794
                   +0 :              -0.00029643490846
                   +1 :               0.00018284163426
                4s
                   +0 :               0.00060123510543
                5s
                   +0 :              -0.00008923540734
                3d
                   -2 :              -0.00042235643710
                   -1 :               0.00070713928165
                   +0 :              -0.00071616313053
                   +1 :               0.00072555083113
                   +2 :               0.00069559385493
                4d
                   -2 :               0.00016847568407
                   -1 :              -0.00012711414458
                   +0 :              -0.00000188094039
                   +1 :              -0.00018474644911
                   +2 :              -0.00006838893354
                4p
                   -1 :              -0.00013174855368
                   +0 :               0.00014197089521
                   +1 :              -0.00027417596424
              6 vec=    -2.593388     10.723313      5.671791   |vec|=   12.405012
                3s
                   +0 :              -0.00065797299243
                3p
                   -1 :              -0.00043599180909
                   +0 :              -0.00021889529437
                   +1 :              -0.00003687895514
                4s
                   +0 :               0.00125360442060
                5s
                   +0 :              -0.00005939804404
                3d
                   -2 :              -0.00018022615073
                   -1 :              -0.00056737815141
                   +0 :              -0.00025114388263
                   +1 :              -0.00014472947646
                   +2 :               0.00008052407592
                4d
                   -2 :              -0.00000267666587
                   -1 :               0.00060758913066
                   +0 :               0.00004757636305
                   +1 :              -0.00001467807708
                   +2 :              -0.00038544517125
                4p
                   -1 :               0.00088634670803
                   +0 :               0.00038073418328
                   +1 :              -0.00000042824711
              7 vec=   -10.373550      6.231434      5.671791   |vec|=   13.364525
                3s
                   +0 :               0.00002725370047
                3p
                   -1 :              -0.00002090201763
                   +0 :               0.00006312152897
                   +1 :              -0.00007906167892
                4s
                   +0 :              -0.00019149439695
                5s
                   +0 :              -0.00000543371690
                3d
                   -2 :               0.00004424329182
                   -1 :               0.00001382389398
                   +0 :              -0.00015737690828
                   +1 :              -0.00031716169926
                   +2 :               0.00003555979909
                4d
                   -2 :               0.00001219288131
                   -1 :               0.00002313029232
                   +0 :              -0.00000018451235
                   +1 :               0.00016235176053
                   +2 :              -0.00003358521530
                4p
                   -1 :              -0.00000520496433
                   +0 :              -0.00007867253895
                   +1 :               0.00016679625858
              8 vec=     5.186775    -11.736082      5.671791   |vec|=   14.028809
                3s
                   +0 :              -0.00070783808690
                3p
                   -1 :               0.00033478059085
                   +0 :              -0.00012217935690
                   +1 :              -0.00046061800193
                4s
                   +0 :               0.00115860652659
                5s
                   +0 :              -0.00006209216729
                3d
                   -2 :               0.00031033990145
                   -1 :               0.00026254118768
                   +0 :              -0.00001753560416
                   +1 :              -0.00051801961620
                   +2 :              -0.00006817500430
                4d
                   -2 :              -0.00031826167958
                   -1 :              -0.00021197458364
                   +0 :              -0.00007938779248
                   +1 :               0.00031956828064
                   +2 :               0.00021204306877
                4p
                   -1 :              -0.00048291451937
                   +0 :               0.00015369170884
                   +1 :               0.00080748928048
              9 vec=    12.966938      1.739555      5.671791   |vec|=   14.259619
                3s
                   +0 :               0.00001576824956
                3p
                   -1 :               0.00004615869459
                   +0 :               0.00003445951625
                   +1 :               0.00011485873533
                4s
                   +0 :              -0.00008363213185
                5s
                   +0 :              -0.00001960322294
                3d
                   -2 :              -0.00006920359474
                   -1 :               0.00013989221698
                   +0 :               0.00000591298307
                   +1 :               0.00014601406811
                   +2 :               0.00001549902301
                4d
                   -2 :              -0.00003272204980
                   -1 :              -0.00006055687545
                   +0 :              -0.00002745941283
                   +1 :              -0.00009343080456
                   +2 :              -0.00012676252669
                4p
                   -1 :              -0.00017572601029
                   +0 :              -0.00006127470709
                   +1 :              -0.00019157529601
             10 vec=    12.966938     -7.244203      5.671791   |vec|=   15.899345
                3s
                   +0 :              -0.00020189466683
                3p
                   -1 :               0.00000260544075
                   +0 :              -0.00005550737044
                   +1 :              -0.00009964127615
                4s
                   +0 :               0.00038543532411
                5s
                   +0 :               0.00000178178603
                3d
                   -2 :               0.00007592835212
                   -1 :              -0.00001901915142
                   +0 :               0.00007585880267
                   +1 :              -0.00002860033360
                   +2 :              -0.00011361817573
                4d
                   -2 :              -0.00005417690187
                   -1 :              -0.00005629268866
                   +0 :               0.00001883546135
                   +1 :               0.00011139034329
                   +2 :               0.00002761335383
                4p
                   -1 :              -0.00004196152340
                   +0 :               0.00013464675172
                   +1 :               0.00016851634258
             11 vec=   -10.373550    -11.736082      5.671791   |vec|=   16.658793
                3s
                   +0 :               0.00002743160353
                3p
                   -1 :               0.00002840007651
                   +0 :               0.00002005154888
                   +1 :              -0.00000233661695
                4s
                   +0 :              -0.00012503802319
                5s
                   +0 :              -0.00000001863143
                3d
                   -2 :              -0.00007323412956
                   -1 :               0.00000321110321
                   +0 :              -0.00000235344067
                   +1 :               0.00012504224191
                   +2 :              -0.00005934540906
                4d
                   -2 :               0.00002612421695
                   -1 :              -0.00000478801616
                   +0 :              -0.00001186758741
                   +1 :               0.00005676915101
                   +2 :              -0.00005030017779
                4p
                   -1 :              -0.00005042046646
                   +0 :              -0.00008289475447
                   +1 :               0.00007428545981
             12 vec=     5.186775     15.215192      5.671791   |vec|=   17.046229
                3s
                   +0 :              -0.00004096077720
                3p
                   -1 :              -0.00005601724375
                   +0 :              -0.00001160571400
                   +1 :              -0.00000223460013
                4s
                   +0 :               0.00002768669903
                5s
                   +0 :              -0.00001822640116
                3d
                   -2 :               0.00003380252977
                   -1 :              -0.00013787314305
                   +0 :              -0.00003478487390
                   +1 :               0.00004250873259
                   +2 :               0.00008534155920
                4d
                   -2 :               0.00001360052961
                   -1 :               0.00003150706698
                   +0 :              -0.00000082105577
                   +1 :               0.00000652308305
                   +2 :              -0.00002586203622
                4p
                   -1 :               0.00005020505994
                   +0 :              -0.00001368987220
                   +1 :               0.00002762287080
             13 vec=    -2.593388    -16.227961      5.671791   |vec|=   17.385097
                3s
                   +0 :              -0.00002095676344
                3p
                   -1 :               0.00001571343052
                   +0 :              -0.00002486967036
                   +1 :               0.00004801923028
                4s
                   +0 :              -0.00004097351448
                5s
                   +0 :               0.00002125265191
                3d
                   -2 :              -0.00001583629457
                   -1 :              -0.00003585490892
                   +0 :               0.00000544138739
                   +1 :               0.00002425142105
                   +2 :              -0.00003070189760
                4d
                   -2 :               0.00005320478641
                   -1 :               0.00000221520742
                   +0 :              -0.00002887364749
                   +1 :              -0.00003025622865
                   +2 :               0.00004730603816
                4p
                   -1 :              -0.00000551908149
                   +0 :               0.00002469897907
                   +1 :              -0.00010159674092
             14 vec=    12.966938     10.723313      5.671791   |vec|=   17.756693
                3s
                   +0 :              -0.00003879477901
                3p
                   -1 :              -0.00002927097991
                   +0 :               0.00000655945150
                   +1 :              -0.00001162786542
                4s
                   +0 :               0.00005434406892
                5s
                   +0 :              -0.00000785923456
                3d
                   -2 :              -0.00003159533889
                   -1 :               0.00001316021341
                   +0 :              -0.00001673086024
                   +1 :               0.00004634518298
                   +2 :              -0.00000754229179
                4d
                   -2 :               0.00001620208797
                   -1 :               0.00002188245712
                   +0 :              -0.00000600964618
                   +1 :               0.00000473474221
                   +2 :              -0.00002406274352
                4p
                   -1 :               0.00005947145565
                   +0 :              -0.00000259362421
                   +1 :               0.00001629280193
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al(  4)  npairs=  14
              1 vec=    -2.593388      1.739555     -1.580534   |vec|=    3.499971
                2s
                   +0 :              -0.02275386207550
                2p
                   -1 :              -0.01143878897251
                   +0 :               0.00427784824538
                   +1 :               0.01906884446432
                3s
                   +0 :              -0.03255549931845
                4s
                   +0 :              -0.00974092723878
                3p
                   -1 :              -0.03561184331742
                   +0 :              -0.01464607400681
                   +1 :               0.04696516498506
                4p
                   -1 :              -0.00320297549880
                   +0 :               0.00320216388825
                   +1 :               0.00908937666349
                3d
                   -2 :               0.03440090156050
                   -1 :              -0.00010749123222
                   +0 :               0.03083815092791
                   +1 :              -0.00142143531158
                   +2 :              -0.01548500571806
              2 vec=     5.186775     -2.752324     -1.580534   |vec|=    6.080790
                2s
                   +0 :               0.00169302941296
                2p
                   -1 :              -0.00065206108920
                   +0 :               0.00036276619194
                   +1 :               0.00128847181952
                3s
                   +0 :              -0.00347095306547
                4s
                   +0 :               0.00351935131422
                3p
                   -1 :               0.00514527648094
                   +0 :               0.00124412247521
                   +1 :              -0.00371926114584
                4p
                   -1 :              -0.00146345968282
                   +0 :               0.00050332317797
                   +1 :               0.00151002344799
                3d
                   -2 :               0.00269741894880
                   -1 :              -0.00079021751165
                   +0 :              -0.00003960429491
                   +1 :               0.00149696110026
                   +2 :              -0.00045756986085
              3 vec=    -2.593388     -7.244203     -1.580534   |vec|=    7.855076
                2s
                   +0 :              -0.00019019967944
                2p
                   -1 :               0.00031468265711
                   +0 :              -0.00019853246198
                   +1 :              -0.00071525196890
                3s
                   +0 :               0.00580774683905
                4s
                   +0 :              -0.00088913797135
                3p
                   -1 :              -0.00765180623566
                   +0 :               0.00142305400513
                   +1 :               0.00289104087416
                4p
                   -1 :               0.00079231050149
                   +0 :              -0.00104940856491
                   +1 :              -0.00086110788634
                3d
                   -2 :              -0.00091578805339
                   -1 :               0.00074578155161
                   +0 :              -0.00117423942935
                   +1 :              -0.00027738564698
                   +2 :              -0.00194788763178
              4 vec=     5.186775      6.231434     -1.580534   |vec|=    8.260236
                2s
                   +0 :               0.00045008896139
                2p
                   -1 :               0.00098925515291
                   +0 :               0.00022693433927
                   +1 :               0.00007238840752
                3s
                   +0 :              -0.00203109690055
                4s
                   +0 :               0.00078774100383
                3p
                   -1 :              -0.00449789149885
                   +0 :              -0.00102085270860
                   +1 :               0.00029241558803
                4p
                   -1 :               0.00145198470918
                   +0 :               0.00025500904490
                   +1 :              -0.00007407373296
                3d
                   -2 :              -0.00036309607918
                   -1 :               0.00051234190749
                   +0 :              -0.00003369872278
                   +1 :              -0.00062048236614
                   +2 :               0.00069496129264
              5 vec=   -10.373550     -2.752324     -1.580534   |vec|=   10.848222
                2s
                   +0 :              -0.00007692098683
                2p
                   -1 :              -0.00002952337009
                   +0 :               0.00009703474673
                   +1 :              -0.00001764450891
                3s
                   +0 :              -0.00069491835836
                4s
                   +0 :               0.00015159828325
                3p
                   -1 :               0.00077175732389
                   +0 :              -0.00128263166603
                   +1 :               0.00092280345435
                4p
                   -1 :              -0.00020226057082
                   +0 :               0.00015343520663
                   +1 :              -0.00032294395938
                3d
                   -2 :              -0.00016622427790
                   -1 :               0.00000148044694
                   +0 :              -0.00018305326923
                   +1 :               0.00033396885996
                   +2 :              -0.00001384746716
              6 vec=    -2.593388     10.723313     -1.580534   |vec|=   11.145097
                2s
                   +0 :               0.00002230894293
                2p
                   -1 :               0.00001216195964
                   +0 :              -0.00000335519993
                   +1 :               0.00008384698192
                3s
                   +0 :              -0.00125574984059
                4s
                   +0 :               0.00039879402574
                3p
                   -1 :              -0.00080972085093
                   +0 :              -0.00054661637071
                   +1 :              -0.00032386814926
                4p
                   -1 :               0.00025997011617
                   +0 :               0.00004620472284
                   +1 :               0.00001526486778
                3d
                   -2 :              -0.00026362742154
                   -1 :              -0.00026519035499
                   +0 :              -0.00027589769220
                   +1 :              -0.00012453716654
                   +2 :               0.00011911680468
              7 vec=   -10.373550      6.231434     -1.580534   |vec|=   12.204073
                2s
                   +0 :               0.00000865194836
                2p
                   -1 :               0.00005240958102
                   +0 :              -0.00018953438606
                   +1 :               0.00003497182063
                3s
                   +0 :               0.00011048121505
                4s
                   +0 :              -0.00014221899197
                3p
                   -1 :              -0.00022461210994
                   +0 :               0.00091474877010
                   +1 :              -0.00023778334858
                4p
                   -1 :              -0.00001500857967
                   +0 :              -0.00025793045906
                   +1 :               0.00008746700656
                3d
                   -2 :              -0.00000057424874
                   -1 :               0.00005593344913
                   +0 :              -0.00010777234129
                   +1 :              -0.00002044439582
                   +2 :               0.00006558043908
              8 vec=     5.186775    -11.736082     -1.580534   |vec|=   12.928122
                2s
                   +0 :               0.00003205534087
                2p
                   -1 :               0.00015267058355
                   +0 :               0.00020784313963
                   +1 :               0.00016116509320
                3s
                   +0 :              -0.00029960981360
                4s
                   +0 :               0.00025332496738
                3p
                   -1 :              -0.00064331727214
                   +0 :              -0.00086195117208
                   +1 :              -0.00077384494358
                4p
                   -1 :               0.00008246582656
                   +0 :               0.00021681737385
                   +1 :               0.00023447751023
                3d
                   -2 :              -0.00007242480944
                   -1 :               0.00013251715386
                   +0 :              -0.00012433584185
                   +1 :              -0.00011685454767
                   +2 :              -0.00032019699770
              9 vec=    12.966938      1.739555     -1.580534   |vec|=   13.178225
                2s
                   +0 :              -0.00022049688777
                2p
                   -1 :              -0.00010494793615
                   +0 :               0.00002104918881
                   +1 :              -0.00012003128366
                3s
                   +0 :               0.00064941691504
                4s
                   +0 :              -0.00027910049384
                3p
                   -1 :               0.00039822262719
                   +0 :               0.00020432401304
                   +1 :               0.00053984311881
                4p
                   -1 :              -0.00013499910484
                   +0 :              -0.00001257165250
                   +1 :              -0.00012576329713
                3d
                   -2 :               0.00006501055991
                   -1 :               0.00002476132455
                   +0 :              -0.00008932453581
                   +1 :              -0.00004719920841
                   +2 :               0.00006034004521
             10 vec=    12.966938     -7.244203     -1.580534   |vec|=   14.937136
                2s
                   +0 :              -0.00003983702086
                2p
                   -1 :              -0.00001226381174
                   +0 :               0.00001839797952
                   +1 :              -0.00000610628153
                3s
                   +0 :               0.00022891740408
                4s
                   +0 :              -0.00008605673376
                3p
                   -1 :               0.00004232089421
                   +0 :               0.00001264800435
                   +1 :               0.00016040723216
                4p
                   -1 :              -0.00001087185722
                   +0 :              -0.00000437613713
                   +1 :              -0.00007237711358
                3d
                   -2 :               0.00002868421245
                   -1 :              -0.00003336024647
                   +0 :              -0.00006980904125
                   +1 :               0.00004987130908
                   +2 :               0.00005350124830
             11 vec=   -10.373550    -11.736082     -1.580534   |vec|=   15.743070
                2s
                   +0 :               0.00002065631124
                2p
                   -1 :              -0.00002715805731
                   +0 :              -0.00000955718645
                   +1 :               0.00003014514755
                3s
                   +0 :              -0.00007635085425
                4s
                   +0 :               0.00004022865594
                3p
                   -1 :               0.00014823752979
                   +0 :              -0.00006794003611
                   +1 :              -0.00015258986837
                4p
                   -1 :              -0.00005944885097
                   +0 :               0.00005364465367
                   +1 :               0.00005003647442
                3d
                   -2 :               0.00005254702587
                   -1 :               0.00001118716524
                   +0 :              -0.00000036587356
                   +1 :              -0.00000079420159
                   +2 :              -0.00000662385469
             12 vec=     5.186775     15.215192     -1.580534   |vec|=   16.152486
                2s
                   +0 :               0.00001684674345
                2p
                   -1 :              -0.00000110476552
                   +0 :               0.00000977416111
                   +1 :              -0.00000534517471
                3s
                   +0 :              -0.00011529733394
                4s
                   +0 :               0.00003236653189
                3p
                   -1 :              -0.00003844296634
                   +0 :              -0.00007224616022
                   +1 :               0.00005132858737
                4p
                   -1 :               0.00000897834623
                   +0 :              -0.00000164259253
                   +1 :              -0.00001023773128
                3d
                   -2 :               0.00000440092807
                   -1 :              -0.00001731861339
                   +0 :              -0.00003821531833
                   +1 :               0.00000268800634
                   +2 :               0.00001664181281
             13 vec=    -2.593388    -16.227961     -1.580534   |vec|=   16.509708
                2s
                   +0 :              -0.00004272775515
                2p
                   -1 :               0.00002885365294
                   +0 :               0.00000405767337
                   +1 :              -0.00000459943700
                3s
                   +0 :               0.00027704179892
                4s
                   +0 :              -0.00013399440253
                3p
                   -1 :              -0.00025539468375
                   +0 :              -0.00001502987784
                   +1 :              -0.00003181002550
                4p
                   -1 :               0.00009340779415
                   +0 :              -0.00000007354759
                   +1 :               0.00003121560725
                3d
                   -2 :               0.00000477360044
                   -1 :              -0.00000052893831
                   +0 :               0.00001489083514
                   +1 :               0.00001799411999
                   +2 :              -0.00003960193138
             14 vec=    12.966938     10.723313     -1.580534   |vec|=   16.900562
                2s
                   +0 :               0.00001483604083
                2p
                   -1 :              -0.00002745872164
                   +0 :               0.00002430531342
                   +1 :              -0.00001460709794
                3s
                   +0 :              -0.00008045163521
                4s
                   +0 :               0.00004038833627
                3p
                   -1 :               0.00013410620017
                   +0 :              -0.00010951625274
                   +1 :               0.00003972839358
                4p
                   -1 :              -0.00002807230982
                   +0 :               0.00002178712510
                   +1 :               0.00000029812277
                3d
                   -2 :               0.00004649852205
                   -1 :              -0.00003362518110
                   +0 :              -0.00001432451473
                   +1 :              -0.00000734011178
                   +2 :               0.00000802074564
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al(  5)  npairs=  14
              1 vec=     2.593388      1.739555     -5.671873   |vec|=    6.474709
                2s
                   +0 :               0.00468867730108
                2p
                   -1 :               0.00148010062572
                   +0 :              -0.00284108233088
                   +1 :               0.00177685902269
                3s
                   +0 :              -0.01192582641962
                4s
                   +0 :               0.00758271288180
                3p
                   -1 :              -0.00447533425951
                   +0 :               0.01196939510584
                   +1 :              -0.00655853795530
                4p
                   -1 :               0.00212218622135
                   +0 :              -0.00555795955798
                   +1 :               0.00335797869767
                3d
                   -2 :               0.00150270327630
                   -1 :               0.00044526962588
                   +0 :              -0.00203065063016
                   +1 :               0.00081816052119
                   +2 :               0.00021581035496
              2 vec=    -5.186775     -2.752324     -5.671873   |vec|=    8.163827
                2s
                   +0 :              -0.00129721923570
                2p
                   -1 :               0.00043568082797
                   +0 :               0.00049730957250
                   +1 :               0.00116591185748
                3s
                   +0 :              -0.01020466411723
                4s
                   +0 :              -0.00147360580282
                3p
                   -1 :               0.00755084058561
                   +0 :               0.00032233613067
                   +1 :               0.00378907059967
                4p
                   -1 :              -0.00021323336582
                   +0 :               0.00041189566812
                   +1 :               0.00186670118897
                3d
                   -2 :              -0.00360480220728
                   -1 :              -0.00062835150630
                   +0 :               0.00217990240613
                   +1 :              -0.00023470273835
                   +2 :              -0.00032729346263
              3 vec=     2.593388     -7.244203     -5.671873   |vec|=    9.558990
                2s
                   +0 :              -0.00046998679130
                2p
                   -1 :              -0.00083989930012
                   +0 :               0.00011475804346
                   +1 :              -0.00066029234500
                3s
                   +0 :               0.00087021723411
                4s
                   +0 :              -0.00020816530419
                3p
                   -1 :               0.00363573843676
                   +0 :              -0.00066368138882
                   +1 :               0.00319130494059
                4p
                   -1 :              -0.00080280586331
                   +0 :               0.00027253191330
                   +1 :              -0.00066191969886
                3d
                   -2 :               0.00068922999902
                   -1 :              -0.00088857650408
                   +0 :              -0.00018986146735
                   +1 :              -0.00028607229647
                   +2 :               0.00079033525931
              4 vec=    -5.186775      6.231434     -5.671873   |vec|=    9.894622
                2s
                   +0 :               0.00007941618431
                2p
                   -1 :              -0.00025720748706
                   +0 :              -0.00035280374578
                   +1 :               0.00016519023270
                3s
                   +0 :              -0.00012378419400
                4s
                   +0 :              -0.00016658351790
                3p
                   -1 :               0.00127521283714
                   +0 :               0.00223614209657
                   +1 :              -0.00066791018802
                4p
                   -1 :              -0.00052363019930
                   +0 :              -0.00060096920233
                   +1 :               0.00048748180192
                3d
                   -2 :               0.00012681061684
                   -1 :               0.00031747407062
                   +0 :              -0.00019763838788
                   +1 :              -0.00027031714922
                   +2 :              -0.00039535725847
              5 vec=    10.373550     -2.752324     -5.671873   |vec|=   12.139027
                2s
                   +0 :              -0.00039150420687
                2p
                   -1 :               0.00020682440501
                   +0 :               0.00015489025355
                   +1 :              -0.00016021452214
                3s
                   +0 :               0.00071204004313
                4s
                   +0 :              -0.00040770381486
                3p
                   -1 :              -0.00056354054465
                   +0 :               0.00001471557933
                   +1 :               0.00080608470385
                4p
                   -1 :               0.00024294445260
                   +0 :               0.00012687931904
                   +1 :              -0.00022550747576
                3d
                   -2 :              -0.00002455783097
                   -1 :              -0.00005385615638
                   +0 :              -0.00025528120317
                   +1 :               0.00001706924858
                   +2 :               0.00012423661728
              6 vec=     2.593388     10.723313     -5.671873   |vec|=   12.405049
                2s
                   +0 :              -0.00048399139690
                2p
                   -1 :              -0.00029168569835
                   +0 :               0.00018991218946
                   +1 :               0.00001205615633
                3s
                   +0 :               0.00126928469775
                4s
                   +0 :              -0.00026298232177
                3p
                   -1 :               0.00133265670046
                   +0 :              -0.00070578029397
                   +1 :               0.00007349253923
                4p
                   -1 :              -0.00018020182923
                   +0 :               0.00014917125801
                   +1 :               0.00009548730354
                3d
                   -2 :               0.00010817778209
                   -1 :              -0.00043232080886
                   +0 :              -0.00010853476669
                   +1 :              -0.00008521889102
                   +2 :              -0.00036480768749
              7 vec=    10.373550      6.231434     -5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00017388838486
                2p
                   -1 :              -0.00001681571732
                   +0 :              -0.00002231738929
                   +1 :               0.00015050377688
                3s
                   +0 :              -0.00088793892109
                4s
                   +0 :               0.00022937802946
                3p
                   -1 :               0.00002186730980
                   +0 :              -0.00003852913390
                   +1 :              -0.00089630846420
                4p
                   -1 :               0.00001292006810
                   +0 :               0.00007015322331
                   +1 :               0.00019762112292
                3d
                   -2 :               0.00003469285441
                   -1 :              -0.00002618897696
                   +0 :              -0.00003588820058
                   +1 :               0.00005647655777
                   +2 :              -0.00020792623141
              8 vec=    -5.186775    -11.736082     -5.671873   |vec|=   14.028842
                2s
                   +0 :              -0.00042933358898
                2p
                   -1 :               0.00013101572314
                   +0 :               0.00005464118877
                   +1 :               0.00028752943755
                3s
                   +0 :               0.00107808064583
                4s
                   +0 :              -0.00022654473146
                3p
                   -1 :              -0.00033377710458
                   +0 :              -0.00024412276656
                   +1 :              -0.00120040061062
                4p
                   -1 :              -0.00003224389799
                   +0 :               0.00005826788184
                   +1 :               0.00020406040573
                3d
                   -2 :               0.00024343942930
                   -1 :               0.00009329045594
                   +0 :              -0.00010209470209
                   +1 :               0.00015903210729
                   +2 :               0.00008615291450
              9 vec=   -12.966938      1.739555     -5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00000004643401
                2p
                   -1 :               0.00005966489235
                   +0 :               0.00001608529544
                   +1 :              -0.00004892298349
                3s
                   +0 :               0.00002743665637
                4s
                   +0 :              -0.00009001420554
                3p
                   -1 :              -0.00036469923780
                   +0 :              -0.00024116254020
                   +1 :               0.00016022113126
                4p
                   -1 :               0.00004717462900
                   +0 :               0.00008490962029
                   +1 :               0.00001588687087
                3d
                   -2 :               0.00005647411380
                   -1 :               0.00006120661692
                   +0 :              -0.00001755671866
                   +1 :              -0.00001325628719
                   +2 :              -0.00012862686138
             10 vec=   -12.966938     -7.244203     -5.671873   |vec|=   15.899374
                2s
                   +0 :              -0.00008871988271
                2p
                   -1 :               0.00000364715679
                   +0 :              -0.00000032001064
                   +1 :               0.00002082096132
                3s
                   +0 :               0.00021835205303
                4s
                   +0 :              -0.00005689359502
                3p
                   -1 :              -0.00006115119897
                   +0 :               0.00000700688900
                   +1 :              -0.00003260306496
                4p
                   -1 :               0.00001563883899
                   +0 :              -0.00002112417694
                   +1 :              -0.00000511415918
                3d
                   -2 :               0.00002197438901
                   -1 :               0.00003036627083
                   +0 :               0.00002192520757
                   +1 :               0.00001786938505
                   +2 :              -0.00000910536079
             11 vec=    10.373550    -11.736082     -5.671873   |vec|=   16.658821
                2s
                   +0 :               0.00004136131549
                2p
                   -1 :               0.00002346395436
                   +0 :               0.00000126206443
                   +1 :               0.00001047166264
                3s
                   +0 :              -0.00017898271230
                4s
                   +0 :               0.00002840130929
                3p
                   -1 :              -0.00014271276549
                   +0 :               0.00006827031499
                   +1 :              -0.00013943348569
                4p
                   -1 :               0.00004736980931
                   +0 :              -0.00000816870179
                   +1 :               0.00002041361392
                3d
                   -2 :              -0.00002923215601
                   -1 :               0.00003062543648
                   +0 :              -0.00000641003094
                   +1 :               0.00005704936986
                   +2 :              -0.00003630530850
             12 vec=    -5.186775     15.215192     -5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00003870046553
                2p
                   -1 :              -0.00005317851756
                   +0 :               0.00000970373677
                   +1 :               0.00000339138395
                3s
                   +0 :              -0.00000679886431
                4s
                   +0 :              -0.00005503574650
                3p
                   -1 :               0.00016235370857
                   +0 :               0.00006190542487
                   +1 :              -0.00006523227126
                4p
                   -1 :              -0.00006255719000
                   +0 :              -0.00000753845248
                   +1 :               0.00001721271650
                3d
                   -2 :              -0.00003960281068
                   -1 :              -0.00000241848687
                   +0 :              -0.00003013371240
                   +1 :               0.00000998702072
                   +2 :              -0.00003417728323
             13 vec=     2.593388    -16.227961     -5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00000020832840
                2p
                   -1 :              -0.00002911917652
                   +0 :               0.00000236042516
                   +1 :              -0.00001205922580
                3s
                   +0 :              -0.00006602287519
                4s
                   +0 :               0.00006579248866
                3p
                   -1 :               0.00021192392043
                   +0 :               0.00003879589017
                   +1 :               0.00006313698438
                4p
                   -1 :              -0.00008928961893
                   +0 :              -0.00002947960739
                   +1 :              -0.00000929697785
                3d
                   -2 :              -0.00003700144606
                   -1 :              -0.00001794248555
                   +0 :              -0.00002754809144
                   +1 :              -0.00000436932347
                   +2 :               0.00004224713244
             14 vec=   -12.966938     10.723313     -5.671873   |vec|=   17.756719
                2s
                   +0 :              -0.00001104589273
                2p
                   -1 :              -0.00000824656483
                   +0 :              -0.00000067375415
                   +1 :               0.00002331241443
                3s
                   +0 :               0.00002429580227
                4s
                   +0 :              -0.00003035575856
                3p
                   -1 :               0.00003200194029
                   +0 :              -0.00001174445851
                   +1 :              -0.00012307738443
                4p
                   -1 :              -0.00000381181772
                   +0 :               0.00000984420181
                   +1 :               0.00004423589457
                3d
                   -2 :              -0.00001354641579
                   -1 :              -0.00001248212291
                   +0 :              -0.00000585644871
                   +1 :               0.00001381203842
                   +2 :               0.00000366461203
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al(  6)  npairs=  14
              1 vec=     2.593388      1.739555      1.580453   |vec|=    3.499934
                2s
                   +0 :               0.02319819231703
                2p
                   -1 :               0.01156636050161
                   +0 :               0.00414452684925
                   +1 :               0.01923671903991
                3s
                   +0 :               0.02773824484192
                4s
                   +0 :               0.01052049015537
                3p
                   -1 :               0.03323390052164
                   +0 :              -0.01236808515689
                   +1 :               0.04456368793433
                4p
                   -1 :               0.00346706581980
                   +0 :               0.00279678113405
                   +1 :               0.00938360933437
                3d
                   -2 :               0.03382247549504
                   -1 :               0.00058672608930
                   +0 :              -0.03091248857204
                   +1 :               0.00230602603859
                   +2 :               0.01529635307176
              2 vec=    -5.186775     -2.752324      1.580453   |vec|=    6.080769
                2s
                   +0 :              -0.00203884440655
                2p
                   -1 :               0.00049759446398
                   +0 :               0.00051798275474
                   +1 :               0.00129536660624
                3s
                   +0 :               0.00471646373715
                4s
                   +0 :              -0.00388459098588
                3p
                   -1 :              -0.00440599308426
                   +0 :               0.00054658586125
                   +1 :              -0.00378883539298
                4p
                   -1 :               0.00137232840149
                   +0 :               0.00074650583341
                   +1 :               0.00142885587274
                3d
                   -2 :               0.00252201420372
                   -1 :              -0.00093965763018
                   +0 :               0.00031338434322
                   +1 :              -0.00129241928087
                   +2 :               0.00061554195390
              3 vec=     2.593388     -7.244203      1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00026929623119
                2p
                   -1 :              -0.00031396298279
                   +0 :              -0.00019338266058
                   +1 :              -0.00080208005793
                3s
                   +0 :              -0.00619495537877
                4s
                   +0 :               0.00071747982804
                3p
                   -1 :               0.00773597797527
                   +0 :               0.00157613254510
                   +1 :               0.00381250255534
                4p
                   -1 :              -0.00065760763050
                   +0 :              -0.00100323039420
                   +1 :              -0.00100611941516
                3d
                   -2 :              -0.00098713266031
                   -1 :               0.00074017168770
                   +0 :               0.00112280705587
                   +1 :               0.00013952058050
                   +2 :               0.00182215406180
              4 vec=    -5.186775      6.231434      1.580453   |vec|=    8.260220
                2s
                   +0 :              -0.00005442190349
                2p
                   -1 :              -0.00066315946150
                   +0 :               0.00016340938356
                   +1 :              -0.00002633882685
                3s
                   +0 :               0.00055525428149
                4s
                   +0 :              -0.00018283329488
                3p
                   -1 :               0.00293280347913
                   +0 :              -0.00065296180064
                   +1 :               0.00088595363673
                4p
                   -1 :              -0.00100510886433
                   +0 :               0.00011559389919
                   +1 :              -0.00020896925517
                3d
                   -2 :              -0.00025983230116
                   -1 :               0.00069278295351
                   +0 :               0.00014711077489
                   +1 :               0.00042151126372
                   +2 :              -0.00058446343577
              5 vec=    10.373550     -2.752324      1.580453   |vec|=   10.848210
                2s
                   +0 :              -0.00024126180737
                2p
                   -1 :               0.00013709200979
                   +0 :               0.00024609076160
                   +1 :              -0.00007255753956
                3s
                   +0 :               0.00204537252114
                4s
                   +0 :              -0.00035798481614
                3p
                   -1 :              -0.00133588977869
                   +0 :              -0.00205406996065
                   +1 :               0.00108171784721
                4p
                   -1 :               0.00027859862183
                   +0 :               0.00028291412567
                   +1 :              -0.00032882267866
                3d
                   -2 :              -0.00022911560279
                   -1 :               0.00009273755952
                   +0 :               0.00025354455201
                   +1 :              -0.00038076971519
                   +2 :              -0.00011482974900
              6 vec=     2.593388     10.723313      1.580453   |vec|=   11.145086
                2s
                   +0 :               0.00015769455718
                2p
                   -1 :               0.00002537881343
                   +0 :              -0.00005882262110
                   +1 :               0.00002383832918
                3s
                   +0 :               0.00067684971142
                4s
                   +0 :              -0.00025333197157
                3p
                   -1 :               0.00069221684073
                   +0 :              -0.00033220638872
                   +1 :               0.00002176921670
                4p
                   -1 :              -0.00025374289068
                   +0 :               0.00002764276895
                   +1 :              -0.00005763774817
                3d
                   -2 :              -0.00018905328116
                   -1 :              -0.00017134651023
                   +0 :               0.00021452975734
                   +1 :               0.00005079668912
                   +2 :              -0.00011949151351
              7 vec=    10.373550      6.231434      1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00024667071581
                2p
                   -1 :              -0.00007079695982
                   +0 :              -0.00017690069194
                   +1 :              -0.00000782237584
                3s
                   +0 :               0.00059285544118
                4s
                   +0 :               0.00001381624974
                3p
                   -1 :               0.00034664962607
                   +0 :               0.00086486281609
                   +1 :              -0.00011226731688
                4p
                   -1 :               0.00000993365065
                   +0 :              -0.00021536973493
                   +1 :               0.00012238944804
                3d
                   -2 :               0.00004304609939
                   -1 :               0.00016107764405
                   +0 :               0.00010516493247
                   +1 :               0.00005910127649
                   +2 :              -0.00011869940439
              8 vec=    -5.186775    -11.736082      1.580453   |vec|=   12.928112
                2s
                   +0 :               0.00006055490295
                2p
                   -1 :              -0.00014597786802
                   +0 :               0.00016288979270
                   +1 :               0.00009847324412
                3s
                   +0 :               0.00014735962347
                4s
                   +0 :              -0.00018775596034
                3p
                   -1 :               0.00057478220524
                   +0 :              -0.00073072499443
                   +1 :              -0.00058241506198
                4p
                   -1 :              -0.00006025270828
                   +0 :               0.00018868253623
                   +1 :               0.00019261184692
                3d
                   -2 :              -0.00003596077665
                   -1 :               0.00016799221960
                   +0 :               0.00007928603504
                   +1 :               0.00005857283019
                   +2 :               0.00026502685558
              9 vec=   -12.966938      1.739555      1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00013932185379
                2p
                   -1 :               0.00010870294145
                   +0 :               0.00003159274281
                   +1 :              -0.00008993561187
                3s
                   +0 :              -0.00010771993358
                4s
                   +0 :               0.00015092976409
                3p
                   -1 :              -0.00032272406004
                   +0 :               0.00006615614309
                   +1 :               0.00032840126462
                4p
                   -1 :               0.00013084366932
                   +0 :              -0.00001821178209
                   +1 :              -0.00006450969690
                3d
                   -2 :               0.00006956216950
                   -1 :              -0.00003600312256
                   +0 :               0.00011605864853
                   +1 :               0.00007782551217
                   +2 :              -0.00003806447688
             10 vec=   -12.966938     -7.244203      1.580453   |vec|=   14.937128
                2s
                   +0 :               0.00005600112199
                2p
                   -1 :               0.00001151918847
                   +0 :               0.00000972441563
                   +1 :               0.00000333369015
                3s
                   +0 :              -0.00022608116651
                4s
                   +0 :               0.00010610832506
                3p
                   -1 :              -0.00004692236196
                   +0 :               0.00006503590365
                   +1 :               0.00010569072313
                4p
                   -1 :               0.00001550227530
                   +0 :              -0.00002698149556
                   +1 :              -0.00005760829919
                3d
                   -2 :               0.00003859679979
                   -1 :              -0.00002586976200
                   +0 :               0.00004028398403
                   +1 :              -0.00005124487323
                   +2 :              -0.00004221009297
             11 vec=    10.373550    -11.736082      1.580453   |vec|=   15.743062
                2s
                   +0 :              -0.00006581369298
                2p
                   -1 :               0.00003135888288
                   +0 :               0.00000476840733
                   +1 :               0.00001200739784
                3s
                   +0 :               0.00032054052289
                4s
                   +0 :              -0.00006077628717
                3p
                   -1 :              -0.00016863739507
                   +0 :              -0.00016226642413
                   +1 :              -0.00004104307500
                4p
                   -1 :               0.00005831659863
                   +0 :               0.00005002984970
                   +1 :               0.00003749175690
                3d
                   -2 :               0.00005776688472
                   -1 :               0.00002496695491
                   +0 :               0.00002382862750
                   +1 :              -0.00004421223181
                   +2 :               0.00001470998104
             12 vec=    -5.186775     15.215192      1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00001371284751
                2p
                   -1 :              -0.00000020456010
                   +0 :              -0.00000031604098
                   +1 :              -0.00000424715346
                3s
                   +0 :              -0.00002972864373
                4s
                   +0 :              -0.00000174749485
                3p
                   -1 :               0.00004688886987
                   +0 :              -0.00000494259376
                   +1 :               0.00005803905168
                4p
                   -1 :              -0.00002483793978
                   +0 :              -0.00000936836490
                   +1 :              -0.00001239056724
                3d
                   -2 :              -0.00000008467528
                   -1 :               0.00000025245998
                   +0 :               0.00000222687321
                   +1 :               0.00001572796563
                   +2 :              -0.00002821248200
             13 vec=     2.593388    -16.227961      1.580453   |vec|=   16.509700
                2s
                   +0 :              -0.00003065800567
                2p
                   -1 :               0.00000273130022
                   +0 :               0.00001363577729
                   +1 :              -0.00001549223659
                3s
                   +0 :               0.00004535384375
                4s
                   +0 :               0.00005388839846
                3p
                   -1 :               0.00007217587897
                   +0 :              -0.00007477576620
                   +1 :               0.00000815200957
                4p
                   -1 :              -0.00005749811337
                   +0 :               0.00001935167919
                   +1 :               0.00003734242468
                3d
                   -2 :               0.00000181520934
                   -1 :               0.00001982741501
                   +0 :              -0.00000101538211
                   +1 :              -0.00002485937595
                   +2 :               0.00000714988929
             14 vec=   -12.966938     10.723313      1.580453   |vec|=   16.900555
                2s
                   +0 :              -0.00000635741827
                2p
                   -1 :               0.00001471249545
                   +0 :               0.00000959380742
                   +1 :              -0.00001255230850
                3s
                   +0 :               0.00007586822353
                4s
                   +0 :              -0.00004615560525
                3p
                   -1 :              -0.00005501471790
                   +0 :              -0.00004119690333
                   +1 :               0.00001700540899
                4p
                   -1 :               0.00000628595785
                   +0 :               0.00000796176794
                   +1 :               0.00001093564348
                3d
                   -2 :               0.00002905099802
                   -1 :              -0.00002412684595
                   +0 :               0.00000727757957
                   +1 :              -0.00000055597452
                   +2 :              -0.00000459750990
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al(  7)  npairs=  15
              1 vec=     2.593388      1.739555    -10.693319   |vec|=   11.139963
                2s
                   +0 :              -0.00081277776187
                2p
                   -1 :              -0.00029148511421
                   +0 :               0.00043080300588
                   +1 :              -0.00031643846761
                3s
                   +0 :               0.00079117448162
                4s
                   +0 :              -0.00029795438074
                3p
                   -1 :               0.00123782302666
                   +0 :              -0.00070471673379
                   +1 :               0.00255498310131
                4p
                   -1 :              -0.00014732366518
                   +0 :               0.00017471595593
                   +1 :              -0.00053445985060
                3d
                   -2 :               0.00012829027726
                   -1 :              -0.00015030887434
                   +0 :              -0.00015071076129
                   +1 :              -0.00031467260530
                   +2 :               0.00011076812730
              2 vec=    -5.186775     -2.752324    -10.693319   |vec|=   12.199385
                2s
                   +0 :              -0.00004419561399
                2p
                   -1 :              -0.00005390517900
                   +0 :               0.00008095794251
                   +1 :               0.00008223059279
                3s
                   +0 :              -0.00061737491796
                4s
                   +0 :               0.00014626255717
                3p
                   -1 :               0.00082929590306
                   +0 :              -0.00037867295508
                   +1 :              -0.00036162761014
                4p
                   -1 :               0.00000299629393
                   +0 :              -0.00001000499078
                   +1 :               0.00003679671960
                3d
                   -2 :               0.00027933525643
                   -1 :              -0.00010179727241
                   +0 :               0.00043183103864
                   +1 :               0.00032823700602
                   +2 :               0.00046943472837
              3 vec=     2.593388     -7.244203    -10.693319   |vec|=   13.173883
                2s
                   +0 :               0.00027180255620
                2p
                   -1 :               0.00011574407519
                   +0 :              -0.00002173841192
                   +1 :               0.00010565354424
                3s
                   +0 :              -0.00239269035540
                4s
                   +0 :               0.00031866735159
                3p
                   -1 :               0.00069338243028
                   +0 :               0.00118747400357
                   +1 :              -0.00072408414668
                4p
                   -1 :               0.00005702851745
                   +0 :              -0.00008605259946
                   +1 :               0.00021060736530
                3d
                   -2 :               0.00003506735146
                   -1 :              -0.00028924961618
                   +0 :              -0.00018156118332
                   +1 :               0.00013753949674
                   +2 :               0.00018533941620
              4 vec=    -5.186775      6.231434    -10.693319   |vec|=   13.419406
                2s
                   +0 :               0.00025249952021
                2p
                   -1 :               0.00001397659718
                   +0 :               0.00000229530126
                   +1 :              -0.00002074510820
                3s
                   +0 :              -0.00276520093425
                4s
                   +0 :               0.00049002314423
                3p
                   -1 :              -0.00090541473944
                   +0 :               0.00116577375109
                   +1 :               0.00135834941295
                4p
                   -1 :               0.00015596564714
                   +0 :              -0.00009897629578
                   +1 :              -0.00006488897952
                3d
                   -2 :               0.00036392200333
                   -1 :               0.00019896625890
                   +0 :              -0.00024140779931
                   +1 :              -0.00047388390967
                   +2 :              -0.00017422067317
              5 vec=     2.593388      1.739555     13.854224   |vec|=   14.201804
                2s
                   +0 :              -0.00011846445515
                2p
                   -1 :              -0.00001852904008
                   +0 :              -0.00000676924884
                   +1 :               0.00001704560250
                3s
                   +0 :               0.00068046428869
                4s
                   +0 :              -0.00013511859044
                3p
                   -1 :               0.00009911333980
                   +0 :               0.00004727259070
                   +1 :              -0.00016452749292
                4p
                   -1 :              -0.00004089136150
                   +0 :               0.00000618032305
                   +1 :               0.00003328358623
                3d
                   -2 :              -0.00000897772199
                   -1 :               0.00009045393210
                   +0 :              -0.00003140601790
                   +1 :              -0.00001448655078
                   +2 :               0.00000023968480
              6 vec=    -5.186775     -2.752324     13.854224   |vec|=   15.047174
                2s
                   +0 :              -0.00024856852660
                2p
                   -1 :               0.00005031394638
                   +0 :              -0.00000793495782
                   +1 :               0.00002922510744
                3s
                   +0 :               0.00076518154804
                4s
                   +0 :              -0.00010813505654
                3p
                   -1 :              -0.00013495771276
                   +0 :              -0.00006871814539
                   +1 :              -0.00008230876499
                4p
                   -1 :              -0.00000949133957
                   +0 :               0.00006543217293
                   +1 :              -0.00000988610936
                3d
                   -2 :               0.00008374786068
                   -1 :              -0.00001522672299
                   +0 :              -0.00009682734313
                   +1 :               0.00002743682475
                   +2 :               0.00009242199397
              7 vec=    10.373550     -2.752324    -10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00001472895719
                2p
                   -1 :              -0.00003246158619
                   +0 :               0.00002079150468
                   +1 :              -0.00002299533791
                3s
                   +0 :              -0.00000533103122
                4s
                   +0 :              -0.00002277925943
                3p
                   -1 :               0.00009624070593
                   +0 :              -0.00020641684044
                   +1 :               0.00018546993397
                4p
                   -1 :               0.00000696114577
                   +0 :               0.00004811095909
                   +1 :              -0.00005374312474
                3d
                   -2 :              -0.00002689833865
                   -1 :               0.00001485769231
                   +0 :              -0.00004222293192
                   +1 :              -0.00004868522186
                   +2 :               0.00003275910062
              8 vec=     2.593388     10.723313    -10.693319   |vec|=   15.364315
                2s
                   +0 :               0.00009480944672
                2p
                   -1 :               0.00001270271025
                   +0 :               0.00000484266463
                   +1 :               0.00002896773358
                3s
                   +0 :              -0.00026602528727
                4s
                   +0 :              -0.00002128014619
                3p
                   -1 :              -0.00001115485775
                   +0 :              -0.00010471796184
                   +1 :              -0.00017951067807
                4p
                   -1 :              -0.00003743027834
                   +0 :               0.00007296493948
                   +1 :               0.00003482414744
                3d
                   -2 :              -0.00001774655316
                   -1 :              -0.00000912738196
                   +0 :               0.00001041892677
                   +1 :               0.00000679580122
                   +2 :              -0.00005684408993
              9 vec=     2.593388     -7.244203     13.854224   |vec|=   15.847513
                2s
                   +0 :              -0.00007024584193
                2p
                   -1 :               0.00001399649817
                   +0 :              -0.00001056784754
                   +1 :               0.00003429527305
                3s
                   +0 :               0.00022722203949
                4s
                   +0 :              -0.00011193237740
                3p
                   -1 :              -0.00015182263855
                   +0 :               0.00011981812803
                   +1 :               0.00027286118614
                4p
                   -1 :               0.00004026345247
                   +0 :              -0.00005405714694
                   +1 :               0.00002185404928
                3d
                   -2 :              -0.00007532036028
                   -1 :              -0.00002228199376
                   +0 :               0.00002047181898
                   +1 :               0.00000138427075
                   +2 :               0.00001758281105
             10 vec=    -5.186775      6.231434     13.854224   |vec|=   16.052194
                2s
                   +0 :               0.00001752738103
                2p
                   -1 :               0.00008118077332
                   +0 :               0.00000555630410
                   +1 :               0.00001997314390
                3s
                   +0 :               0.00019221333364
                4s
                   +0 :               0.00004736360120
                3p
                   -1 :              -0.00020967313503
                   +0 :               0.00004133665316
                   +1 :              -0.00002619727600
                4p
                   -1 :               0.00013074878681
                   +0 :               0.00000527148934
                   +1 :              -0.00002525015674
                3d
                   -2 :              -0.00000849446941
                   -1 :               0.00003835293957
                   +0 :              -0.00000206784151
                   +1 :              -0.00001215435104
                   +2 :              -0.00013356882689
             11 vec=    10.373550      6.231434    -10.693319   |vec|=   16.148943
                2s
                   +0 :              -0.00022004407984
                2p
                   -1 :              -0.00005016954486
                   +0 :               0.00007887147215
                   +1 :              -0.00007183223984
                3s
                   +0 :               0.00074144750997
                4s
                   +0 :              -0.00032765339522
                3p
                   -1 :               0.00022116793698
                   +0 :              -0.00035539035899
                   +1 :               0.00033205871812
                4p
                   -1 :              -0.00004563541184
                   +0 :               0.00014093542136
                   +1 :              -0.00009804353651
                3d
                   -2 :               0.00004055545768
                   -1 :              -0.00003909192549
                   +0 :               0.00002140802532
                   +1 :              -0.00004830763486
                   +2 :               0.00000224588160
             12 vec=    -5.186775    -11.736082    -10.693319   |vec|=   16.702854
                2s
                   +0 :              -0.00007079530349
                2p
                   -1 :               0.00002351947852
                   +0 :               0.00004330165099
                   +1 :               0.00002249495629
                3s
                   +0 :               0.00034999334263
                4s
                   +0 :              -0.00010542438080
                3p
                   -1 :              -0.00025004622319
                   +0 :              -0.00029922467766
                   +1 :              -0.00013168131501
                4p
                   -1 :               0.00005390525841
                   +0 :               0.00006619607636
                   +1 :               0.00001424064338
                3d
                   -2 :               0.00006151623754
                   -1 :               0.00007775092477
                   +0 :               0.00004805995627
                   +1 :               0.00004122175092
                   +2 :               0.00001244224792
             13 vec=   -12.966938      1.739555    -10.693319   |vec|=   16.897177
                2s
                   +0 :               0.00003125241397
                2p
                   -1 :               0.00000194388807
                   +0 :              -0.00000634620108
                   +1 :               0.00000951944063
                3s
                   +0 :              -0.00011078053135
                4s
                   +0 :               0.00000101704348
                3p
                   -1 :              -0.00001834035115
                   +0 :               0.00002723979676
                   +1 :              -0.00012682300155
                4p
                   -1 :               0.00000331527351
                   +0 :               0.00000761172990
                   +1 :               0.00004691195809
                3d
                   -2 :              -0.00000667959877
                   -1 :               0.00002123743816
                   +0 :              -0.00001894951602
                   +1 :               0.00001270516852
                   +2 :               0.00003285007230
             14 vec=    10.373550     -2.752324     13.854224   |vec|=   17.524992
                2s
                   +0 :               0.00005980284977
                2p
                   -1 :              -0.00000415064475
                   +0 :               0.00003654896305
                   +1 :               0.00002849904277
                3s
                   +0 :               0.00003090089843
                4s
                   +0 :               0.00010385893426
                3p
                   -1 :              -0.00032025457942
                   +0 :              -0.00023321022954
                   +1 :               0.00015071670392
                4p
                   -1 :               0.00003886655394
                   +0 :               0.00008276540571
                   +1 :               0.00003862927266
                3d
                   -2 :              -0.00008683660969
                   -1 :              -0.00001469778726
                   +0 :              -0.00009884483530
                   +1 :              -0.00000327838012
                   +2 :               0.00003808987058
             15 vec=     2.593388     10.723313     13.854224   |vec|=   17.710297
                2s
                   +0 :               0.00003991819075
                2p
                   -1 :               0.00003863119155
                   +0 :               0.00000967366030
                   +1 :               0.00002095079855
                3s
                   +0 :               0.00013099363016
                4s
                   +0 :               0.00002004917211
                3p
                   -1 :               0.00000594675383
                   +0 :               0.00001013073314
                   +1 :              -0.00004424345985
                4p
                   -1 :               0.00002359147746
                   +0 :               0.00000150133790
                   +1 :               0.00002729417846
                3d
                   -2 :               0.00000660749047
                   -1 :              -0.00000044267129
                   +0 :              -0.00001998754318
                   +1 :               0.00000363041727
                   +2 :              -0.00001180706790
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al(  8)  npairs=  13
              1 vec=     2.593388      1.739555      6.601898   |vec|=    7.303202
                2s
                   +0 :              -0.00187982650709
                2p
                   -1 :              -0.00048298525421
                   +0 :              -0.00140320201955
                   +1 :              -0.00116709873906
                3s
                   +0 :               0.00937756180271
                4s
                   +0 :              -0.00374358960356
                3p
                   -1 :               0.00098557050872
                   +0 :               0.00073228566024
                   +1 :               0.00261109952241
                4p
                   -1 :              -0.00010388993472
                   +0 :              -0.00222189979895
                   +1 :              -0.00127688763084
                3d
                   -2 :              -0.00253525721659
                   -1 :              -0.00117435898179
                   +0 :              -0.00238746169867
                   +1 :              -0.00168585671162
                   +2 :              -0.00191381299628
              2 vec=    -5.186775     -2.752324      6.601898   |vec|=    8.835326
                2s
                   +0 :              -0.00138137754802
                2p
                   -1 :               0.00022808089332
                   +0 :              -0.00019652028291
                   +1 :               0.00004937050615
                3s
                   +0 :               0.01702249672746
                4s
                   +0 :              -0.00076452006638
                3p
                   -1 :              -0.00603553655843
                   +0 :               0.00931028407569
                   +1 :              -0.00904820368204
                4p
                   -1 :               0.00016615245023
                   +0 :               0.00011503380926
                   +1 :              -0.00020273582857
                3d
                   -2 :               0.00240183002015
                   -1 :              -0.00244182429154
                   +0 :               0.00047570411217
                   +1 :              -0.00361130159147
                   +2 :               0.00117960084257
              3 vec=     2.593388     -7.244203      6.601898   |vec|=   10.138500
                2s
                   +0 :               0.00068110576208
                2p
                   -1 :               0.00055534781171
                   +0 :               0.00039056962458
                   +1 :               0.00056125468555
                3s
                   +0 :               0.00018118321855
                4s
                   +0 :              -0.00067242993285
                3p
                   -1 :              -0.00391851527815
                   +0 :              -0.00111960704439
                   +1 :              -0.00172867556361
                4p
                   -1 :               0.00127938963924
                   +0 :              -0.00014547684374
                   +1 :               0.00018568432461
                3d
                   -2 :              -0.00061789183590
                   -1 :              -0.00042268900814
                   +0 :               0.00031918946195
                   +1 :              -0.00036851710681
                   +2 :              -0.00126849196879
              4 vec=    -5.186775      6.231434      6.601898   |vec|=   10.455547
                2s
                   +0 :              -0.00073587968717
                2p
                   -1 :              -0.00041277214824
                   +0 :              -0.00020912847737
                   +1 :               0.00003768334218
                3s
                   +0 :               0.00251921672536
                4s
                   +0 :              -0.00059014835122
                3p
                   -1 :               0.00214966699126
                   +0 :               0.00076015302340
                   +1 :               0.00006103699661
                4p
                   -1 :              -0.00024263783740
                   +0 :              -0.00021203086824
                   +1 :              -0.00011882277766
                3d
                   -2 :              -0.00012300446081
                   -1 :              -0.00007758113326
                   +0 :               0.00033615227698
                   +1 :              -0.00014292128321
                   +2 :              -0.00029188729328
              5 vec=    10.373550     -2.752324      6.601898   |vec|=   12.600432
                2s
                   +0 :              -0.00027859942183
                2p
                   -1 :               0.00012103318256
                   +0 :              -0.00020721173280
                   +1 :              -0.00001122103867
                3s
                   +0 :               0.00069199478467
                4s
                   +0 :              -0.00016758050257
                3p
                   -1 :              -0.00070664805865
                   +0 :               0.00113147697332
                   +1 :              -0.00043129288897
                4p
                   -1 :               0.00016076170030
                   +0 :              -0.00019473724868
                   +1 :               0.00005858145276
                3d
                   -2 :              -0.00010117645666
                   -1 :              -0.00031581973874
                   +0 :               0.00017696337411
                   +1 :              -0.00007380569890
                   +2 :              -0.00039466257345
              6 vec=     2.593388     10.723313      6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00036768839176
                2p
                   -1 :               0.00015484289069
                   +0 :               0.00019853277633
                   +1 :              -0.00001188120089
                3s
                   +0 :              -0.00124902570013
                4s
                   +0 :               0.00043697223316
                3p
                   -1 :              -0.00086341520198
                   +0 :              -0.00086439052012
                   +1 :              -0.00004994413367
                4p
                   -1 :               0.00017220895435
                   +0 :               0.00020317927246
                   +1 :              -0.00001020510730
                3d
                   -2 :              -0.00000413484741
                   -1 :              -0.00022888420433
                   +0 :              -0.00006085925471
                   +1 :              -0.00008493794046
                   +2 :               0.00012651936970
              7 vec=    10.373550      6.231434      6.601898   |vec|=   13.785005
                2s
                   +0 :               0.00011744645610
                2p
                   -1 :               0.00003234292188
                   +0 :               0.00005039332589
                   +1 :              -0.00002514383500
                3s
                   +0 :              -0.00000332193751
                4s
                   +0 :               0.00011584611459
                3p
                   -1 :              -0.00003881384386
                   +0 :              -0.00032149248295
                   +1 :               0.00028398023596
                4p
                   -1 :               0.00001004113947
                   +0 :               0.00004534482660
                   +1 :              -0.00000291637056
                3d
                   -2 :               0.00011938333524
                   -1 :              -0.00005125489171
                   +0 :               0.00004946870084
                   +1 :              -0.00004418046478
                   +2 :               0.00004592146787
              8 vec=    -5.186775    -11.736082      6.601898   |vec|=   14.429945
                2s
                   +0 :               0.00003222695140
                2p
                   -1 :               0.00001343568037
                   +0 :               0.00002634443295
                   +1 :              -0.00002633368520
                3s
                   +0 :              -0.00021924098707
                4s
                   +0 :               0.00021576025901
                3p
                   -1 :               0.00002218331157
                   +0 :              -0.00027627904796
                   +1 :               0.00026213956718
                4p
                   -1 :              -0.00010714666893
                   +0 :               0.00013564468093
                   +1 :              -0.00010862920805
                3d
                   -2 :               0.00004213551000
                   -1 :               0.00005891028549
                   +0 :              -0.00007287660506
                   +1 :               0.00003414748391
                   +2 :              -0.00009823749059
              9 vec=   -12.966938      1.739555      6.601898   |vec|=   14.654439
                2s
                   +0 :              -0.00006679282690
                2p
                   -1 :              -0.00004199087371
                   +0 :              -0.00001124327506
                   +1 :               0.00005900364992
                3s
                   +0 :               0.00022475757512
                4s
                   +0 :              -0.00011428153539
                3p
                   -1 :               0.00026464598748
                   +0 :               0.00013398896110
                   +1 :              -0.00025144598428
                4p
                   -1 :              -0.00007307130566
                   +0 :              -0.00007126840135
                   +1 :               0.00008638727276
                3d
                   -2 :              -0.00005238620497
                   -1 :               0.00002475078632
                   +0 :              -0.00004204034850
                   +1 :              -0.00001912061008
                   +2 :               0.00001245169209
             10 vec=   -12.966938     -7.244203      6.601898   |vec|=   16.254384
                2s
                   +0 :              -0.00005026852040
                2p
                   -1 :               0.00000545034692
                   +0 :              -0.00001611915782
                   +1 :              -0.00002039270689
                3s
                   +0 :               0.00024154914949
                4s
                   +0 :              -0.00009714590575
                3p
                   -1 :              -0.00003249389663
                   +0 :               0.00011790980347
                   +1 :               0.00005504229825
                4p
                   -1 :               0.00002434697090
                   +0 :              -0.00003833822923
                   +1 :              -0.00000813160206
                3d
                   -2 :              -0.00000593346119
                   -1 :              -0.00004480646527
                   +0 :               0.00004452258082
                   +1 :               0.00000122721852
                   +2 :              -0.00001932835318
             11 vec=    10.373550    -11.736082      6.601898   |vec|=   16.997977
                2s
                   +0 :              -0.00002666389459
                2p
                   -1 :              -0.00002203857712
                   +0 :               0.00000011506353
                   +1 :              -0.00000789795136
                3s
                   +0 :               0.00010576916117
                4s
                   +0 :              -0.00004561705718
                3p
                   -1 :               0.00015911114507
                   +0 :               0.00011155737663
                   +1 :               0.00015643268865
                4p
                   -1 :              -0.00003301709132
                   +0 :               0.00000104361710
                   +1 :              -0.00003006383744
                3d
                   -2 :              -0.00002185722904
                   -1 :               0.00001099265935
                   +0 :               0.00001876620832
                   +1 :               0.00003277558625
                   +2 :               0.00000528782752
             12 vec=    -5.186775     15.215192      6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00001661685126
                2p
                   -1 :               0.00001138951838
                   +0 :              -0.00001384047295
                   +1 :              -0.00000131154793
                3s
                   +0 :               0.00009526796397
                4s
                   +0 :              -0.00005289880518
                3p
                   -1 :              -0.00000713575390
                   +0 :               0.00006177860223
                   +1 :              -0.00002894621822
                4p
                   -1 :              -0.00000716810026
                   +0 :              -0.00001640960559
                   +1 :               0.00001860546942
                3d
                   -2 :               0.00001796126701
                   -1 :               0.00004272989508
                   +0 :               0.00002351061856
                   +1 :              -0.00002280890771
                   +2 :              -0.00000838165250
             13 vec=     2.593388    -16.227961      6.601898   |vec|=   17.710376
                2s
                   +0 :              -0.00004004783229
                2p
                   -1 :               0.00002945379871
                   +0 :               0.00001600812741
                   +1 :               0.00002627775194
                3s
                   +0 :               0.00021264674161
                4s
                   +0 :              -0.00007975015977
                3p
                   -1 :              -0.00016836593837
                   +0 :              -0.00006126404808
                   +1 :              -0.00012343076120
                4p
                   -1 :               0.00004970382375
                   +0 :               0.00000480512474
                   +1 :               0.00002657867863
                3d
                   -2 :               0.00000816155160
                   -1 :               0.00003591236495
                   +0 :               0.00001791721116
                   +1 :              -0.00001057490026
                   +2 :              -0.00004052953466
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al(  9)  npairs=  14
              1 vec=     0.000000     -2.752324      2.510804   |vec|=    3.725510
                2s
                   +0 :               0.02023248405455
                2p
                   -1 :              -0.02572309036555
                   +0 :               0.01896901010968
                   +1 :               0.00274078744038
                3s
                   +0 :               0.08004822279349
                4s
                   +0 :               0.00518501211225
                3p
                   -1 :              -0.05340476559810
                   +0 :               0.02884174160130
                   +1 :              -0.00671073289406
                4p
                   -1 :              -0.01248824636569
                   +0 :               0.01023757031812
                   +1 :               0.00280018163468
                3d
                   -2 :              -0.00137709357440
                   -1 :              -0.03852011820925
                   +0 :              -0.00894706311963
                   +1 :               0.00080597549923
                   +2 :              -0.03787739463576
              2 vec=     0.000000      6.231434      2.510804   |vec|=    6.718252
                2s
                   +0 :              -0.00248141476527
                2p
                   -1 :              -0.00182473281139
                   +0 :              -0.00036174616658
                   +1 :               0.00073116703019
                3s
                   +0 :               0.01002976885260
                4s
                   +0 :              -0.00597355466445
                3p
                   -1 :               0.00742453527764
                   +0 :              -0.00080708543283
                   +1 :              -0.00374082622721
                4p
                   -1 :              -0.00350833352563
                   +0 :              -0.00122659702218
                   +1 :               0.00099556412706
                3d
                   -2 :              -0.00011873653853
                   -1 :               0.00026353181111
                   +0 :               0.00272131335335
                   +1 :               0.00042100257519
                   +2 :              -0.00076863112039
              3 vec=    -7.780163      1.739555      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00124040327237
                2p
                   -1 :               0.00032268479001
                   +0 :               0.00028733080544
                   +1 :              -0.00034268858067
                3s
                   +0 :              -0.00459810262372
                4s
                   +0 :               0.00199385045316
                3p
                   -1 :              -0.00133745217381
                   +0 :              -0.00192249555415
                   +1 :               0.00301927170538
                4p
                   -1 :               0.00034737635872
                   +0 :               0.00076776494422
                   +1 :              -0.00053905390717
                3d
                   -2 :               0.00062584567896
                   -1 :              -0.00040148892315
                   +0 :              -0.00007674079890
                   +1 :              -0.00004368179604
                   +2 :              -0.00005288480134
              4 vec=     7.780163      1.739555      2.510804   |vec|=    8.358297
                2s
                   +0 :               0.00071591847251
                2p
                   -1 :               0.00009480672030
                   +0 :               0.00035776383322
                   +1 :               0.00053555605364
                3s
                   +0 :              -0.00665241068220
                4s
                   +0 :               0.00280357897513
                3p
                   -1 :              -0.00180857397570
                   +0 :              -0.00433529867274
                   +1 :              -0.00545561259447
                4p
                   -1 :               0.00008104157957
                   +0 :               0.00122935944273
                   +1 :               0.00195892917237
                3d
                   -2 :              -0.00053972559451
                   -1 :              -0.00011593211186
                   +0 :              -0.00046487584838
                   +1 :              -0.00124031897891
                   +2 :              -0.00057663232960
              5 vec=    -7.780163     -7.244203      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00022725800338
                2p
                   -1 :              -0.00012175851883
                   +0 :              -0.00037570413243
                   +1 :              -0.00026867944326
                3s
                   +0 :               0.00105353117028
                4s
                   +0 :              -0.00015736936642
                3p
                   -1 :               0.00003950021129
                   +0 :               0.00161986981092
                   +1 :              -0.00003996680307
                4p
                   -1 :              -0.00001103797889
                   +0 :              -0.00047878704979
                   +1 :              -0.00017355675675
                3d
                   -2 :               0.00001131004479
                   -1 :              -0.00023924754973
                   +0 :              -0.00000705240173
                   +1 :              -0.00005078691958
                   +2 :               0.00034719465826
              6 vec=     7.780163     -7.244203      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00015396810171
                2p
                   -1 :               0.00006012902305
                   +0 :               0.00002980391958
                   +1 :               0.00005948736749
                3s
                   +0 :               0.00095990704502
                4s
                   +0 :              -0.00027786986793
                3p
                   -1 :              -0.00024408270394
                   +0 :              -0.00005224611092
                   +1 :               0.00101690111719
                4p
                   -1 :               0.00014406520811
                   +0 :              -0.00011771261813
                   +1 :              -0.00037495959301
                3d
                   -2 :               0.00004032245426
                   -1 :              -0.00017180865824
                   +0 :              -0.00003947489075
                   +1 :              -0.00002996378990
                   +2 :               0.00025337483508
              7 vec=     0.000000    -11.736082      2.510804   |vec|=   12.001657
                2s
                   +0 :              -0.00016335477551
                2p
                   -1 :              -0.00003736467698
                   +0 :              -0.00006039898991
                   +1 :               0.00022158884213
                3s
                   +0 :               0.00021787007387
                4s
                   +0 :               0.00052127727618
                3p
                   -1 :               0.00061765035880
                   +0 :               0.00041491135490
                   +1 :              -0.00108211788930
                4p
                   -1 :              -0.00058573691904
                   +0 :              -0.00018798627868
                   +1 :               0.00021340363395
                3d
                   -2 :               0.00039926673640
                   -1 :              -0.00009195072864
                   +0 :               0.00006558466341
                   +1 :              -0.00012769113751
                   +2 :              -0.00007931962103
              8 vec=    -7.780163     10.723313      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00014965220945
                2p
                   -1 :               0.00004146866783
                   +0 :              -0.00006378262132
                   +1 :               0.00001238815058
                3s
                   +0 :              -0.00040963559557
                4s
                   +0 :               0.00005399387155
                3p
                   -1 :              -0.00012784857028
                   +0 :               0.00019340612204
                   +1 :              -0.00012814289830
                4p
                   -1 :              -0.00002734740597
                   +0 :              -0.00002825880923
                   +1 :               0.00005893448350
                3d
                   -2 :              -0.00001559963337
                   -1 :               0.00004009683895
                   +0 :               0.00002345424741
                   +1 :               0.00003952223695
                   +2 :              -0.00000647234284
              9 vec=     7.780163     10.723313      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00013979570317
                2p
                   -1 :               0.00000040698574
                   +0 :               0.00007875200608
                   +1 :               0.00005054706168
                3s
                   +0 :              -0.00050874877494
                4s
                   +0 :               0.00009641296460
                3p
                   -1 :               0.00006776582725
                   +0 :              -0.00046394001945
                   +1 :              -0.00034163784102
                4p
                   -1 :              -0.00004662047935
                   +0 :               0.00005356402474
                   +1 :               0.00006406895715
                3d
                   -2 :               0.00003007867080
                   -1 :              -0.00001998433284
                   +0 :              -0.00006396835067
                   +1 :              -0.00012736338918
                   +2 :              -0.00019017791954
             10 vec=     0.000000     15.215192      2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00001308026226
                2p
                   -1 :              -0.00004066897147
                   +0 :               0.00002127314989
                   +1 :              -0.00000863320240
                3s
                   +0 :               0.00002547912232
                4s
                   +0 :              -0.00002518678008
                3p
                   -1 :               0.00019453171832
                   +0 :              -0.00013473590306
                   +1 :               0.00008319886246
                4p
                   -1 :              -0.00006346122758
                   +0 :               0.00002432806394
                   +1 :              -0.00001545554942
                3d
                   -2 :               0.00002701744730
                   -1 :              -0.00004258407417
                   +0 :              -0.00000574164746
                   +1 :              -0.00002378690130
                   +2 :              -0.00005354074885
             11 vec=   -15.560325     -2.752324      2.510804   |vec|=   16.000098
                2s
                   +0 :               0.00000526576325
                2p
                   -1 :               0.00004567417490
                   +0 :               0.00002707696174
                   +1 :               0.00000136087245
                3s
                   +0 :               0.00014773015770
                4s
                   +0 :              -0.00008708553706
                3p
                   -1 :              -0.00032550985068
                   +0 :              -0.00015611107450
                   +1 :              -0.00008033074927
                4p
                   -1 :               0.00008264660056
                   +0 :               0.00003481162645
                   +1 :               0.00004865603754
                3d
                   -2 :               0.00003660622818
                   -1 :              -0.00000914332546
                   +0 :              -0.00000724037856
                   +1 :               0.00001724177310
                   +2 :               0.00000288734096
             12 vec=    15.560325     -2.752324      2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00000429607915
                2p
                   -1 :              -0.00002700395448
                   +0 :              -0.00001444242632
                   +1 :              -0.00000321073982
                3s
                   +0 :               0.00035194925738
                4s
                   +0 :              -0.00002346983923
                3p
                   -1 :              -0.00001193347571
                   +0 :              -0.00011813101308
                   +1 :               0.00016370312826
                4p
                   -1 :              -0.00003432711747
                   +0 :               0.00000134705995
                   +1 :              -0.00002757211846
                3d
                   -2 :              -0.00003345093054
                   -1 :               0.00000958885001
                   +0 :               0.00004048721997
                   +1 :              -0.00005801752094
                   +2 :              -0.00001547497947
             13 vec=   -15.560325      6.231434      2.510804   |vec|=   16.948706
                2s
                   +0 :               0.00001066551464
                2p
                   -1 :              -0.00001012332773
                   +0 :              -0.00000496636979
                   +1 :              -0.00001466183550
                3s
                   +0 :              -0.00004788112019
                4s
                   +0 :               0.00004244506190
                3p
                   -1 :               0.00003322108105
                   +0 :               0.00000474667844
                   +1 :               0.00009247555381
                4p
                   -1 :               0.00000811846400
                   +0 :               0.00000059581642
                   +1 :              -0.00003539998041
                3d
                   -2 :              -0.00000736057296
                   -1 :               0.00000180014502
                   +0 :               0.00001434012579
                   +1 :               0.00000017997084
                   +2 :              -0.00001395992403
             14 vec=    15.560325      6.231434      2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00002316256595
                2p
                   -1 :               0.00002033488511
                   +0 :               0.00000039487258
                   +1 :              -0.00000731083866
                3s
                   +0 :               0.00008777489134
                4s
                   +0 :               0.00001252326570
                3p
                   -1 :              -0.00012826300014
                   +0 :              -0.00001282403456
                   +1 :               0.00003734108979
                4p
                   -1 :               0.00004528941914
                   +0 :              -0.00000553559938
                   +1 :               0.00000141092652
                3d
                   -2 :              -0.00001490837075
                   -1 :              -0.00000278064011
                   +0 :              -0.00001002130162
                   +1 :               0.00000894878412
                   +2 :               0.00002750915541
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al( 10)  npairs=  13
              1 vec=     0.000000     -2.752324      9.763130   |vec|=   10.143668
                2s
                   +0 :               0.00034298862021
                2p
                   -1 :              -0.00021890671179
                   +0 :              -0.00014542048307
                   +1 :              -0.00006099851993
                3s
                   +0 :               0.00073195805569
                4s
                   +0 :              -0.00017072011481
                3p
                   -1 :               0.00099507581402
                   +0 :               0.00126181467598
                   +1 :               0.00030337459007
                4p
                   -1 :               0.00003014945024
                   +0 :              -0.00041945297723
                   +1 :              -0.00009699377896
                3d
                   -2 :              -0.00016666034221
                   -1 :              -0.00029026376620
                   +0 :              -0.00001393487089
                   +1 :               0.00013826510871
                   +2 :              -0.00012195303854
              2 vec=     0.000000      6.231434      9.763130   |vec|=   11.582292
                2s
                   +0 :              -0.00005658939499
                2p
                   -1 :               0.00000409281412
                   +0 :              -0.00013073990364
                   +1 :               0.00041222309736
                3s
                   +0 :               0.00113670055085
                4s
                   +0 :              -0.00058661712109
                3p
                   -1 :               0.00042154941923
                   +0 :               0.00166546630861
                   +1 :              -0.00176021854246
                4p
                   -1 :              -0.00021717286273
                   +0 :              -0.00071143956804
                   +1 :               0.00026726616195
                3d
                   -2 :              -0.00025539867670
                   -1 :               0.00011874783496
                   +0 :               0.00041311803877
                   +1 :              -0.00033562491063
                   +2 :              -0.00004979413880
              3 vec=    -7.780163      1.739555      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00008891223754
                2p
                   -1 :               0.00028292235652
                   +0 :              -0.00005008522284
                   +1 :              -0.00001755422937
                3s
                   +0 :               0.00141438856655
                4s
                   +0 :              -0.00023056626278
                3p
                   -1 :              -0.00105090163454
                   +0 :               0.00102294849625
                   +1 :              -0.00175564224882
                4p
                   -1 :               0.00036970305450
                   +0 :              -0.00030551090456
                   +1 :               0.00031128794878
                3d
                   -2 :               0.00006015972450
                   -1 :              -0.00013419378008
                   +0 :              -0.00017411969290
                   +1 :              -0.00042891807769
                   +2 :               0.00051594801523
              4 vec=     7.780163      1.739555      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00032473178881
                2p
                   -1 :               0.00016689673672
                   +0 :               0.00013458611986
                   +1 :               0.00026934133609
                3s
                   +0 :               0.00139977116754
                4s
                   +0 :               0.00011326033834
                3p
                   -1 :               0.00048798976543
                   +0 :               0.00007694111005
                   +1 :               0.00075962043586
                4p
                   -1 :               0.00007059652322
                   +0 :              -0.00006184024325
                   +1 :               0.00014858843450
                3d
                   -2 :               0.00027216519032
                   -1 :               0.00003127172547
                   +0 :              -0.00032863774819
                   +1 :              -0.00002387919064
                   +2 :               0.00012605521735
              5 vec=    -7.780163     -7.244203      9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00000243420846
                2p
                   -1 :               0.00003647028475
                   +0 :               0.00004056392088
                   +1 :              -0.00000086523755
                3s
                   +0 :               0.00031164662988
                4s
                   +0 :              -0.00002665108498
                3p
                   -1 :              -0.00022887866965
                   +0 :              -0.00015304549664
                   +1 :              -0.00003311482300
                4p
                   -1 :               0.00007133598758
                   +0 :               0.00005440741719
                   +1 :               0.00002626609694
                3d
                   -2 :              -0.00003737075168
                   -1 :              -0.00000208864397
                   +0 :              -0.00003140870386
                   +1 :               0.00002131102861
                   +2 :              -0.00001163963020
              6 vec=     7.780163     -7.244203      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00005434506065
                2p
                   -1 :              -0.00009549621311
                   +0 :              -0.00003172516257
                   +1 :              -0.00001542690524
                3s
                   +0 :              -0.00026985245512
                4s
                   +0 :               0.00003291650866
                3p
                   -1 :               0.00078187219898
                   +0 :               0.00047267953978
                   +1 :               0.00011552667465
                4p
                   -1 :              -0.00013108378049
                   +0 :               0.00003405547540
                   +1 :               0.00008462235652
                3d
                   -2 :               0.00003064318938
                   -1 :              -0.00023158542908
                   +0 :               0.00014787078144
                   +1 :               0.00000403735722
                   +2 :               0.00013078784997
              7 vec=     0.000000     -2.752324    -14.784412   |vec|=   15.038422
                2s
                   +0 :              -0.00002564622489
                2p
                   -1 :               0.00003923008528
                   +0 :               0.00001722852384
                   +1 :              -0.00011492494237
                3s
                   +0 :              -0.00022015832104
                4s
                   +0 :               0.00006746067478
                3p
                   -1 :              -0.00027460438305
                   +0 :               0.00014388333316
                   +1 :               0.00059553630994
                4p
                   -1 :               0.00003082312309
                   +0 :              -0.00006592959905
                   +1 :              -0.00016042716924
                3d
                   -2 :               0.00003372212393
                   -1 :               0.00008230906602
                   +0 :              -0.00005010364160
                   +1 :              -0.00005201985782
                   +2 :               0.00001369131013
              8 vec=     0.000000    -11.736082      9.763130   |vec|=   15.266117
                2s
                   +0 :               0.00014931370438
                2p
                   -1 :              -0.00011290852476
                   +0 :               0.00012137631612
                   +1 :              -0.00003743950821
                3s
                   +0 :              -0.00041048157269
                4s
                   +0 :               0.00016712045452
                3p
                   -1 :               0.00053506980106
                   +0 :              -0.00041695568967
                   +1 :               0.00015952421574
                4p
                   -1 :              -0.00014188017490
                   +0 :               0.00012496071738
                   +1 :               0.00000823879462
                3d
                   -2 :              -0.00005757893158
                   -1 :               0.00015942957791
                   +0 :              -0.00000026960095
                   +1 :               0.00001978065517
                   +2 :               0.00011069046699
              9 vec=     0.000000      6.231434    -14.784412   |vec|=   16.043990
                2s
                   +0 :               0.00003532915940
                2p
                   -1 :               0.00000049688405
                   +0 :              -0.00000676203360
                   +1 :              -0.00002068498642
                3s
                   +0 :              -0.00015626088059
                4s
                   +0 :              -0.00000528719381
                3p
                   -1 :               0.00015866205877
                   +0 :              -0.00006086272462
                   +1 :               0.00002970686375
                4p
                   -1 :              -0.00004339475018
                   +0 :               0.00004899296760
                   +1 :               0.00000538122255
                3d
                   -2 :              -0.00002018567580
                   -1 :              -0.00004241352529
                   +0 :              -0.00001570629791
                   +1 :              -0.00001352480728
                   +2 :               0.00000751662775
             10 vec=    -7.780163     10.723313      9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00004586262174
                2p
                   -1 :              -0.00000351428952
                   +0 :               0.00000914203615
                   +1 :               0.00002465978244
                3s
                   +0 :               0.00014042019997
                4s
                   +0 :              -0.00003129435142
                3p
                   -1 :              -0.00000360464349
                   +0 :              -0.00007620568567
                   +1 :              -0.00008525357490
                4p
                   -1 :               0.00000276989954
                   +0 :               0.00003298773605
                   +1 :               0.00002357022805
                3d
                   -2 :               0.00001126295385
                   -1 :              -0.00002399104978
                   +0 :               0.00000088794617
                   +1 :               0.00000487493463
                   +2 :               0.00002204604539
             11 vec=     7.780163     10.723313      9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00000524900523
                2p
                   -1 :              -0.00002956356256
                   +0 :               0.00001977822761
                   +1 :               0.00002972626349
                3s
                   +0 :               0.00007623776894
                4s
                   +0 :               0.00000433110974
                3p
                   -1 :               0.00012114044993
                   +0 :              -0.00006294806172
                   +1 :              -0.00018609670957
                4p
                   -1 :              -0.00004497006589
                   +0 :               0.00002662856456
                   +1 :               0.00004641076568
                3d
                   -2 :              -0.00001277280375
                   -1 :              -0.00001215343343
                   +0 :               0.00002052176125
                   +1 :              -0.00002133689229
                   +2 :              -0.00002358894812
             12 vec=    -7.780163      1.739555    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00003067376972
                2p
                   -1 :               0.00000575206290
                   +0 :               0.00000503759000
                   +1 :               0.00000619604245
                3s
                   +0 :              -0.00036504831407
                4s
                   +0 :               0.00006947261130
                3p
                   -1 :               0.00003085893325
                   +0 :               0.00004689293778
                   +1 :               0.00008454899643
                4p
                   -1 :              -0.00001508709140
                   +0 :              -0.00001995062572
                   +1 :               0.00000634249630
                3d
                   -2 :              -0.00007711773310
                   -1 :              -0.00003979997185
                   +0 :               0.00006382390490
                   +1 :               0.00001166170627
                   +2 :               0.00004383865326
             13 vec=     7.780163      1.739555    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00010486338287
                2p
                   -1 :               0.00003456464385
                   +0 :              -0.00002202597586
                   +1 :              -0.00000073151218
                3s
                   +0 :              -0.00056180436691
                4s
                   +0 :               0.00014506930156
                3p
                   -1 :              -0.00001523546657
                   +0 :               0.00015196365376
                   +1 :              -0.00021347872989
                4p
                   -1 :               0.00003080182223
                   +0 :              -0.00002926616851
                   +1 :               0.00003207157930
                3d
                   -2 :               0.00008708085053
                   -1 :              -0.00001636656900
                   +0 :               0.00005734688071
                   +1 :               0.00003413104439
                   +2 :              -0.00007887325381
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al( 11)  npairs=  14
              1 vec=     0.000000     -2.752324     -2.510641   |vec|=    3.725400
                2s
                   +0 :              -0.02047357955697
                2p
                   -1 :               0.02591594820503
                   +0 :               0.01886638982745
                   +1 :               0.00264350124819
                3s
                   +0 :              -0.08066125264686
                4s
                   +0 :              -0.00640252597938
                3p
                   -1 :               0.05409708603625
                   +0 :               0.02929176991726
                   +1 :              -0.00693799194324
                4p
                   -1 :               0.01340505359934
                   +0 :               0.00986451209604
                   +1 :               0.00306078242468
                3d
                   -2 :              -0.00176598296327
                   -1 :              -0.03844195369091
                   +0 :               0.00938533784499
                   +1 :              -0.00064824466920
                   +2 :               0.03856604900182
              2 vec=     0.000000      6.231434     -2.510641   |vec|=    6.718191
                2s
                   +0 :               0.00198314842382
                2p
                   -1 :               0.00167942924659
                   +0 :              -0.00043368135765
                   +1 :               0.00053922176908
                3s
                   +0 :              -0.00826281838925
                4s
                   +0 :               0.00514414166445
                3p
                   -1 :              -0.00642560244816
                   +0 :              -0.00059279363524
                   +1 :              -0.00275355673786
                4p
                   -1 :               0.00306962144496
                   +0 :              -0.00138217852259
                   +1 :               0.00097491122665
                3d
                   -2 :               0.00027707934120
                   -1 :               0.00029725398531
                   +0 :              -0.00280736818472
                   +1 :              -0.00017320602018
                   +2 :               0.00085711536048
              3 vec=    -7.780163      1.739555     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00073290482761
                2p
                   -1 :              -0.00011198845466
                   +0 :               0.00041826633289
                   +1 :               0.00040999472881
                3s
                   +0 :               0.00641383030011
                4s
                   +0 :              -0.00292047798239
                3p
                   -1 :               0.00159638905548
                   +0 :              -0.00478653103630
                   +1 :              -0.00473684926622
                4p
                   -1 :              -0.00008957806052
                   +0 :               0.00130996107787
                   +1 :               0.00184326485163
                3d
                   -2 :              -0.00045721087251
                   -1 :              -0.00034197839131
                   +0 :               0.00038480496597
                   +1 :               0.00138734658311
                   +2 :               0.00069368764443
              4 vec=     7.780163      1.739555     -2.510641   |vec|=    8.358247
                2s
                   +0 :              -0.00116452695431
                2p
                   -1 :              -0.00034858801920
                   +0 :               0.00018274616986
                   +1 :              -0.00021580005683
                3s
                   +0 :               0.00465352757102
                4s
                   +0 :              -0.00219666874637
                3p
                   -1 :               0.00112777589915
                   +0 :              -0.00129856525604
                   +1 :               0.00253264741527
                4p
                   -1 :              -0.00018499777009
                   +0 :               0.00048482311183
                   +1 :              -0.00064272627051
                3d
                   -2 :               0.00073285291434
                   -1 :              -0.00055984127745
                   +0 :               0.00013245203614
                   +1 :               0.00001239049649
                   +2 :              -0.00027865844461
              5 vec=    -7.780163     -7.244203     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00002887488199
                2p
                   -1 :              -0.00010009995402
                   +0 :               0.00005684112624
                   +1 :              -0.00003898109134
                3s
                   +0 :              -0.00081225785835
                4s
                   +0 :               0.00045901499373
                3p
                   -1 :               0.00065819305814
                   +0 :              -0.00004055475049
                   +1 :               0.00121640930937
                4p
                   -1 :              -0.00021836796628
                   +0 :              -0.00006215482368
                   +1 :              -0.00041702932422
                3d
                   -2 :              -0.00005733374550
                   -1 :              -0.00011274305623
                   +0 :               0.00011336831773
                   +1 :               0.00004322526375
                   +2 :              -0.00025866065519
              6 vec=     7.780163     -7.244203     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00037516078037
                2p
                   -1 :               0.00019364758141
                   +0 :              -0.00036450212122
                   +1 :              -0.00025993182823
                3s
                   +0 :              -0.00044190035100
                4s
                   +0 :               0.00014208421513
                3p
                   -1 :              -0.00043106051881
                   +0 :               0.00157846747553
                   +1 :              -0.00007250887326
                4p
                   -1 :               0.00004136579045
                   +0 :              -0.00046195516816
                   +1 :              -0.00012984662383
                3d
                   -2 :              -0.00003476870517
                   -1 :              -0.00030728116890
                   +0 :              -0.00003361208900
                   +1 :               0.00002002202707
                   +2 :              -0.00037072164041
              7 vec=     0.000000    -11.736082     -2.510641   |vec|=   12.001622
                2s
                   +0 :               0.00023189069848
                2p
                   -1 :               0.00002106198238
                   +0 :              -0.00011577420549
                   +1 :               0.00019871833222
                3s
                   +0 :              -0.00047060038860
                4s
                   +0 :              -0.00025769841352
                3p
                   -1 :              -0.00045246006009
                   +0 :               0.00062674193263
                   +1 :              -0.00104491039791
                4p
                   -1 :               0.00044810557191
                   +0 :              -0.00018770441680
                   +1 :               0.00022917384915
                3d
                   -2 :               0.00047054754235
                   -1 :              -0.00016495089534
                   +0 :              -0.00003171516049
                   +1 :               0.00010310193072
                   +2 :               0.00003849121180
              8 vec=    -7.780163     10.723313     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00011347784577
                2p
                   -1 :               0.00002187442558
                   +0 :               0.00006925128965
                   +1 :              -0.00001363345282
                3s
                   +0 :               0.00047116607936
                4s
                   +0 :              -0.00011612137055
                3p
                   -1 :              -0.00011514867118
                   +0 :              -0.00036041956846
                   +1 :              -0.00003310484156
                4p
                   -1 :               0.00003605616736
                   +0 :               0.00002535005880
                   +1 :               0.00003415277258
                3d
                   -2 :               0.00014386888023
                   -1 :              -0.00002979952845
                   +0 :               0.00005773126106
                   +1 :               0.00018275364469
                   +2 :               0.00020732760607
              9 vec=     7.780163     10.723313     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00016053262402
                2p
                   -1 :              -0.00004629856430
                   +0 :              -0.00008402398428
                   +1 :              -0.00002542065434
                3s
                   +0 :               0.00035484792623
                4s
                   +0 :               0.00002672055806
                3p
                   -1 :               0.00005836679257
                   +0 :               0.00032398819081
                   +1 :               0.00002366996303
                4p
                   -1 :               0.00006090435241
                   +0 :              -0.00005835240769
                   +1 :               0.00005997502703
                3d
                   -2 :               0.00001005613386
                   -1 :               0.00007955226427
                   +0 :               0.00000336905784
                   +1 :              -0.00001030609988
                   +2 :               0.00002316188000
             10 vec=     0.000000     15.215192     -2.510641   |vec|=   15.420940
                2s
                   +0 :               0.00001122677326
                2p
                   -1 :               0.00004422341256
                   +0 :               0.00002632552473
                   +1 :               0.00001535188613
                3s
                   +0 :              -0.00002599131313
                4s
                   +0 :               0.00001740267122
                3p
                   -1 :              -0.00019854158432
                   +0 :              -0.00014560443981
                   +1 :              -0.00006763494392
                4p
                   -1 :               0.00005746290257
                   +0 :               0.00002262916118
                   +1 :               0.00003086413025
                3d
                   -2 :               0.00000083561097
                   -1 :              -0.00005064395829
                   +0 :               0.00001028276142
                   +1 :              -0.00000117696573
                   +2 :               0.00006065122082
             11 vec=   -15.560325     -2.752324     -2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00004203698306
                2p
                   -1 :               0.00003217568700
                   +0 :              -0.00001828346081
                   +1 :               0.00002041028617
                3s
                   +0 :              -0.00008827734704
                4s
                   +0 :              -0.00000067382473
                3p
                   -1 :              -0.00006662499117
                   +0 :              -0.00005884789511
                   +1 :               0.00005934839575
                4p
                   -1 :               0.00003436896632
                   +0 :               0.00000091587391
                   +1 :              -0.00001854044905
                3d
                   -2 :              -0.00002798774400
                   -1 :               0.00000456308111
                   +0 :              -0.00002615493262
                   +1 :               0.00003611656218
                   +2 :               0.00001103754296
             12 vec=    15.560325     -2.752324     -2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00004400257361
                2p
                   -1 :              -0.00006767681431
                   +0 :               0.00003876500835
                   +1 :               0.00001353945653
                3s
                   +0 :              -0.00029566769017
                4s
                   +0 :               0.00010023268221
                3p
                   -1 :               0.00046983776996
                   +0 :              -0.00025184312869
                   +1 :              -0.00013418251223
                4p
                   -1 :              -0.00010789616307
                   +0 :               0.00002593732414
                   +1 :               0.00004105240114
                3d
                   -2 :               0.00006984813615
                   -1 :               0.00004149719406
                   +0 :              -0.00000118614023
                   +1 :              -0.00004398944729
                   +2 :              -0.00000409976987
             13 vec=   -15.560325      6.231434     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00002618033020
                2p
                   -1 :              -0.00001708339821
                   +0 :              -0.00001143923198
                   +1 :              -0.00000639676284
                3s
                   +0 :              -0.00009455466358
                4s
                   +0 :               0.00001812076079
                3p
                   -1 :               0.00009502867726
                   +0 :               0.00003843524413
                   +1 :               0.00003848612435
                4p
                   -1 :              -0.00003125751139
                   +0 :              -0.00001445944190
                   +1 :              -0.00001399483623
                3d
                   -2 :              -0.00001337813131
                   -1 :               0.00000569338700
                   +0 :               0.00000459105099
                   +1 :              -0.00002960743976
                   +2 :              -0.00002965378294
             14 vec=    15.560325      6.231434     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00000205454967
                2p
                   -1 :               0.00000716841433
                   +0 :              -0.00000955043021
                   +1 :              -0.00000945313365
                3s
                   +0 :              -0.00000799519766
                4s
                   +0 :              -0.00000791572064
                3p
                   -1 :              -0.00001892989564
                   +0 :              -0.00000197200578
                   +1 :               0.00005126955313
                4p
                   -1 :              -0.00000857170497
                   +0 :               0.00001116609593
                   +1 :              -0.00001186351911
                3d
                   -2 :              -0.00000806551998
                   -1 :               0.00000449516868
                   +0 :              -0.00000753496541
                   +1 :               0.00000400817498
                   +2 :               0.00002432292198
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site Al( 12)  npairs=  13
              1 vec=     0.000000     -2.752324     -9.762967   |vec|=   10.143511
                2s
                   +0 :              -0.00048336040570
                2p
                   -1 :               0.00032682710356
                   +0 :              -0.00022458616142
                   +1 :               0.00010227614996
                3s
                   +0 :               0.00006405149758
                4s
                   +0 :               0.00002463894093
                3p
                   -1 :              -0.00130806235065
                   +0 :               0.00186933292557
                   +1 :              -0.00058418322075
                4p
                   -1 :               0.00012058447964
                   +0 :              -0.00061404524868
                   +1 :               0.00017109011332
                3d
                   -2 :              -0.00022576169275
                   -1 :              -0.00062212969183
                   +0 :              -0.00014302431424
                   +1 :              -0.00011019735961
                   +2 :               0.00000360659326
              2 vec=     0.000000      6.231434     -9.762967   |vec|=   11.582154
                2s
                   +0 :               0.00075270867866
                2p
                   -1 :               0.00007435128216
                   +0 :              -0.00017708643807
                   +1 :              -0.00010879130870
                3s
                   +0 :              -0.00271123211117
                4s
                   +0 :               0.00113936506121
                3p
                   -1 :              -0.00043404756725
                   +0 :               0.00144919247011
                   +1 :               0.00061676028477
                4p
                   -1 :               0.00012793386945
                   +0 :              -0.00050185057031
                   +1 :              -0.00023986356958
                3d
                   -2 :              -0.00004492468487
                   -1 :               0.00007694237034
                   +0 :              -0.00030730101936
                   +1 :              -0.00005452143888
                   +2 :              -0.00023860243311
              3 vec=    -7.780163      1.739555     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00035586996587
                2p
                   -1 :              -0.00016505426699
                   +0 :               0.00013684592277
                   +1 :               0.00034519096784
                3s
                   +0 :              -0.00175472081440
                4s
                   +0 :              -0.00016054516461
                3p
                   -1 :              -0.00114646670544
                   +0 :               0.00032748098037
                   +1 :               0.00081032055696
                4p
                   -1 :              -0.00001606410030
                   +0 :              -0.00006962510033
                   +1 :               0.00027060548637
                3d
                   -2 :               0.00066215197564
                   -1 :               0.00014502237852
                   +0 :               0.00036843039162
                   +1 :              -0.00011974503250
                   +2 :              -0.00016898792503
              4 vec=     7.780163      1.739555     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00003786215399
                2p
                   -1 :               0.00008714878985
                   +0 :               0.00005297202055
                   +1 :              -0.00022211261259
                3s
                   +0 :              -0.00160537172054
                4s
                   +0 :              -0.00008658198923
                3p
                   -1 :              -0.00103016583732
                   +0 :               0.00026455122192
                   +1 :              -0.00052576429409
                4p
                   -1 :               0.00018053407523
                   +0 :               0.00006335164055
                   +1 :              -0.00033050125653
                3d
                   -2 :              -0.00028005486363
                   -1 :              -0.00002624575637
                   +0 :               0.00024306938637
                   +1 :               0.00017070490144
                   +2 :              -0.00021077666216
              5 vec=    -7.780163     -7.244203     -9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00001926001642
                2p
                   -1 :               0.00018061834665
                   +0 :              -0.00001643167362
                   +1 :              -0.00006373053239
                3s
                   +0 :               0.00013971222774
                4s
                   +0 :              -0.00007583173120
                3p
                   -1 :              -0.00087648207182
                   +0 :               0.00005554199825
                   +1 :               0.00023423978796
                4p
                   -1 :               0.00018116662772
                   +0 :              -0.00001453393587
                   +1 :               0.00000018487352
                3d
                   -2 :               0.00010421285797
                   -1 :               0.00011186266508
                   +0 :               0.00001133075819
                   +1 :              -0.00007262551306
                   +2 :              -0.00014787238084
              6 vec=     7.780163     -7.244203     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00013871344467
                2p
                   -1 :              -0.00006795743027
                   +0 :              -0.00001690452513
                   +1 :               0.00012784727299
                3s
                   +0 :              -0.00055252789888
                4s
                   +0 :               0.00020479998400
                3p
                   -1 :               0.00036027586526
                   +0 :               0.00005317942337
                   +1 :              -0.00060965520988
                4p
                   -1 :              -0.00013770531114
                   +0 :               0.00000253789556
                   +1 :               0.00017857927666
                3d
                   -2 :              -0.00002814102563
                   -1 :              -0.00000062895121
                   +0 :               0.00004875860770
                   +1 :               0.00010131861487
                   +2 :              -0.00005018474145
              7 vec=     0.000000     -2.752324     14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00006050501590
                2p
                   -1 :              -0.00000933445929
                   +0 :              -0.00000672017295
                   +1 :              -0.00010109535228
                3s
                   +0 :               0.00055989168127
                4s
                   +0 :              -0.00013076580359
                3p
                   -1 :               0.00020674873324
                   +0 :               0.00022517886594
                   +1 :               0.00054260587615
                4p
                   -1 :              -0.00001293878806
                   +0 :              -0.00006909104887
                   +1 :              -0.00013969336754
                3d
                   -2 :               0.00000653727257
                   -1 :               0.00002846601218
                   +0 :              -0.00000965464435
                   +1 :               0.00006316988689
                   +2 :              -0.00002641161763
              8 vec=     0.000000    -11.736082     -9.762967   |vec|=   15.266013
                2s
                   +0 :              -0.00018983443514
                2p
                   -1 :               0.00013319904131
                   +0 :               0.00016747532489
                   +1 :               0.00001749969333
                3s
                   +0 :               0.00054473968503
                4s
                   +0 :              -0.00022471633596
                3p
                   -1 :              -0.00059236042262
                   +0 :              -0.00073242133721
                   +1 :              -0.00018495696609
                4p
                   -1 :               0.00017584185951
                   +0 :               0.00022314964829
                   +1 :               0.00009797615520
                3d
                   -2 :              -0.00001114186639
                   -1 :               0.00025201554625
                   +0 :               0.00003666631127
                   +1 :              -0.00001355130093
                   +2 :              -0.00009608575260
              9 vec=     0.000000      6.231434     14.784576   |vec|=   16.044141
                2s
                   +0 :              -0.00008444400741
                2p
                   -1 :              -0.00007759034829
                   +0 :              -0.00001584168984
                   +1 :              -0.00002344078151
                3s
                   +0 :               0.00053298105614
                4s
                   +0 :              -0.00018683505204
                3p
                   -1 :               0.00030136168639
                   +0 :               0.00012508187737
                   +1 :               0.00011134551817
                4p
                   -1 :              -0.00008025970791
                   +0 :              -0.00005042009465
                   +1 :              -0.00004006510782
                3d
                   -2 :               0.00000759498716
                   -1 :               0.00003880262342
                   +0 :               0.00005114024889
                   +1 :              -0.00000852797341
                   +2 :              -0.00002194631426
             10 vec=    -7.780163     10.723313     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00005870711913
                2p
                   -1 :               0.00003734589396
                   +0 :              -0.00000023905076
                   +1 :              -0.00000916718892
                3s
                   +0 :              -0.00022014913787
                4s
                   +0 :               0.00006401293106
                3p
                   -1 :              -0.00013200115335
                   +0 :               0.00000587703719
                   +1 :               0.00001026084974
                4p
                   -1 :               0.00005359419517
                   +0 :               0.00001306818949
                   +1 :              -0.00000036439956
                3d
                   -2 :               0.00001072880082
                   -1 :               0.00001111609087
                   +0 :              -0.00001099795973
                   +1 :              -0.00003560252194
                   +2 :              -0.00001939453935
             11 vec=     7.780163     10.723313     -9.762967   |vec|=   16.457092
                2s
                   +0 :               0.00008646293530
                2p
                   -1 :               0.00005940811464
                   +0 :              -0.00000097465865
                   +1 :               0.00002788296459
                3s
                   +0 :              -0.00035907520215
                4s
                   +0 :               0.00013672302194
                3p
                   -1 :              -0.00033377179626
                   +0 :              -0.00001767652080
                   +1 :              -0.00011447598701
                4p
                   -1 :               0.00011277312293
                   +0 :               0.00000690368865
                   +1 :               0.00003275991620
                3d
                   -2 :               0.00000218554156
                   -1 :               0.00000104173955
                   +0 :               0.00002523861425
                   +1 :              -0.00003746042123
                   +2 :              -0.00002081823804
             12 vec=    -7.780163      1.739555     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00004915331454
                2p
                   -1 :              -0.00002729460538
                   +0 :              -0.00002238765212
                   +1 :               0.00004244734741
                3s
                   +0 :               0.00052598217521
                4s
                   +0 :              -0.00020675438487
                3p
                   -1 :              -0.00000585507384
                   +0 :               0.00029248431944
                   +1 :              -0.00042406430220
                4p
                   -1 :              -0.00001282771912
                   +0 :              -0.00012080868430
                   +1 :               0.00010451386586
                3d
                   -2 :               0.00000623162002
                   -1 :              -0.00006013042148
                   +0 :               0.00003000872219
                   +1 :              -0.00008370693968
                   +2 :               0.00006111534572
             13 vec=     7.780163      1.739555     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00000759160412
                2p
                   -1 :               0.00003265667652
                   +0 :               0.00000094272307
                   +1 :              -0.00000193403735
                3s
                   +0 :               0.00006329763889
                4s
                   +0 :              -0.00003798122098
                3p
                   -1 :              -0.00045277001174
                   +0 :              -0.00008582939281
                   +1 :               0.00015633345139
                4p
                   -1 :               0.00007442241345
                   +0 :              -0.00001206052001
                   +1 :              -0.00000143738970
                3d
                   -2 :              -0.00009560741141
                   -1 :              -0.00012412972261
                   +0 :              -0.00008573318773
                   +1 :               0.00000834300843
                   +2 :               0.00000699894819
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 13)  npairs=  14
              1 vec=    -0.209546      0.363243      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00037367407897
                2s
                   +0 :               0.00100950884860
                3s
                   +0 :              -0.00098659275168
                2p
                   -1 :              -0.00085581301793
                   +0 :               0.00345935098213
                   +1 :              -0.00280446785998
                3p
                   -1 :               0.00053031477647
                   +0 :              -0.00269325373491
                   +1 :               0.00164085839255
                3d
                   -2 :               0.00001867159395
                   -1 :              -0.00003982645090
                   +0 :              -0.00034717456139
                   +1 :               0.00001603523701
                   +2 :               0.00004143938774
              2 vec=    -0.209546     -8.620515      8.182514   |vec|=   11.887419
                1s
                   +0 :               0.00016469354570
                2s
                   +0 :              -0.00051657684476
                3s
                   +0 :               0.00061294479600
                2p
                   -1 :              -0.00121520259435
                   +0 :              -0.00105537604943
                   +1 :               0.00082403486244
                3p
                   -1 :               0.00062745378613
                   +0 :               0.00069978780476
                   +1 :              -0.00072849078685
                3d
                   -2 :              -0.00002165109839
                   -1 :               0.00003011812978
                   +0 :               0.00001424578933
                   +1 :               0.00000900678692
                   +2 :               0.00003790255521
              3 vec=     7.570617     -4.128636      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00013355700016
                2s
                   +0 :              -0.00188975101355
                3s
                   +0 :               0.00022049954602
                2p
                   -1 :              -0.00041051395652
                   +0 :              -0.00093637316548
                   +1 :               0.00003068154935
                3p
                   -1 :              -0.00022948623695
                   +0 :               0.00009256590324
                   +1 :               0.00015562266692
                3d
                   -2 :              -0.00007851708294
                   -1 :              -0.00003870827885
                   +0 :              -0.00020415608626
                   +1 :              -0.00004625294912
                   +2 :               0.00000573796918
              4 vec=    -7.989708     -4.128636      8.182514   |vec|=   12.158726
                1s
                   +0 :              -0.00001402500221
                2s
                   +0 :               0.00032826103430
                3s
                   +0 :              -0.00010198666366
                2p
                   -1 :              -0.00024491095548
                   +0 :               0.00005842842590
                   +1 :              -0.00061142188930
                3p
                   -1 :              -0.00002895778375
                   +0 :              -0.00001594284702
                   +1 :               0.00015144744733
                3d
                   -2 :               0.00000269264099
                   -1 :              -0.00000919761699
                   +0 :              -0.00000476101899
                   +1 :               0.00002942752356
                   +2 :              -0.00001067042452
              5 vec=     7.570617      4.855122      8.182514   |vec|=   12.158947
                1s
                   +0 :              -0.00005548020858
                2s
                   +0 :               0.00097692816958
                3s
                   +0 :              -0.00008776326011
                2p
                   -1 :               0.00017942692722
                   +0 :              -0.00019217934006
                   +1 :               0.00049799993858
                3p
                   -1 :               0.00007600612486
                   +0 :              -0.00001008818684
                   +1 :              -0.00001447677631
                3d
                   -2 :               0.00003565848588
                   -1 :               0.00000608388637
                   +0 :              -0.00002060246902
                   +1 :              -0.00001524529941
                   +2 :              -0.00000311844450
              6 vec=    -7.989708      4.855122      8.182514   |vec|=   12.424218
                1s
                   +0 :              -0.00017376785284
                2s
                   +0 :               0.00139411676979
                3s
                   +0 :              -0.00052472641755
                2p
                   -1 :               0.00084521536644
                   +0 :               0.00012490579436
                   +1 :              -0.00121698778302
                3p
                   -1 :              -0.00041957236748
                   +0 :              -0.00015254113872
                   +1 :               0.00059376630704
                3d
                   -2 :               0.00001641239596
                   -1 :               0.00001471029635
                   +0 :              -0.00000529619125
                   +1 :               0.00002303524188
                   +2 :              -0.00001161303643
              7 vec=    -0.209546      9.347001      8.182514   |vec|=   12.424326
                1s
                   +0 :              -0.00003209470978
                2s
                   +0 :               0.00040557186946
                3s
                   +0 :              -0.00006115129038
                2p
                   -1 :               0.00069716177972
                   +0 :              -0.00011701942186
                   +1 :              -0.00001284074033
                3p
                   -1 :              -0.00019905076076
                   +0 :               0.00017622188738
                   +1 :               0.00000929988142
                3d
                   -2 :               0.00004215475247
                   -1 :               0.00000791630852
                   +0 :               0.00004979573880
                   +1 :              -0.00002080707417
                   +2 :              -0.00000519450033
              8 vec=    -0.209546      0.363243    -16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00000783569171
                2s
                   +0 :               0.00006763912049
                3s
                   +0 :              -0.00005344097368
                2p
                   -1 :               0.00000839140566
                   +0 :              -0.00000613054295
                   +1 :               0.00009867590461
                3p
                   -1 :              -0.00003908711940
                   +0 :               0.00005843089353
                   +1 :              -0.00009758773301
                3d
                   -2 :              -0.00000700186195
                   -1 :               0.00000433774984
                   +0 :              -0.00001320935359
                   +1 :               0.00000274105203
                   +2 :               0.00000441160527
              9 vec=     7.570617    -13.112394      8.182514   |vec|=   17.210539
                1s
                   +0 :               0.00001603514819
                2s
                   +0 :              -0.00014609014901
                3s
                   +0 :               0.00012811475130
                2p
                   -1 :               0.00007962260226
                   +0 :              -0.00010841364403
                   +1 :              -0.00023646848751
                3p
                   -1 :              -0.00007849340962
                   +0 :               0.00010041854025
                   +1 :               0.00018697722727
                3d
                   -2 :              -0.00001852210713
                   -1 :              -0.00001799222181
                   +0 :               0.00001178054148
                   +1 :               0.00003056656585
                   +2 :               0.00001108601401
             10 vec=    -7.989708    -13.112394      8.182514   |vec|=   17.398961
                1s
                   +0 :              -0.00002061876605
                2s
                   +0 :               0.00017464064285
                3s
                   +0 :              -0.00002827249303
                2p
                   -1 :              -0.00006149970597
                   +0 :               0.00005950335027
                   +1 :              -0.00002977885540
                3p
                   -1 :               0.00000658337702
                   +0 :              -0.00000957918118
                   +1 :               0.00002254846976
                3d
                   -2 :               0.00000472949376
                   -1 :              -0.00000740724084
                   +0 :              -0.00000023084427
                   +1 :               0.00000026949514
                   +2 :              -0.00000108849629
             11 vec=    15.350780      0.363243      8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00000900915600
                2s
                   +0 :               0.00010033040515
                3s
                   +0 :              -0.00000418714268
                2p
                   -1 :              -0.00004120168804
                   +0 :               0.00002845350924
                   +1 :               0.00007118674246
                3p
                   -1 :               0.00004520019663
                   +0 :               0.00002822695386
                   +1 :               0.00000517606164
                3d
                   -2 :               0.00000553671395
                   -1 :               0.00000659947905
                   +0 :               0.00000204693037
                   +1 :               0.00000240621292
                   +2 :               0.00000383829497
             12 vec=   -15.769871      0.363243      8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000304191258
                2s
                   +0 :              -0.00001493785573
                3s
                   +0 :               0.00001948442610
                2p
                   -1 :               0.00005084692699
                   +0 :               0.00000865649177
                   +1 :              -0.00003383091537
                3p
                   -1 :              -0.00004686251296
                   +0 :               0.00001166217354
                   +1 :               0.00000239405008
                3d
                   -2 :               0.00000382687110
                   -1 :               0.00000072635808
                   +0 :               0.00000153266551
                   +1 :               0.00000156239652
                   +2 :              -0.00000231961636
             13 vec=     7.570617     13.838880      8.182514   |vec|=   17.770267
                1s
                   +0 :              -0.00000301209450
                2s
                   +0 :               0.00006662531680
                3s
                   +0 :               0.00002082740644
                2p
                   -1 :              -0.00001213420342
                   +0 :               0.00004151121557
                   +1 :               0.00000228480794
                3p
                   -1 :               0.00006863327301
                   +0 :              -0.00000552219466
                   +1 :               0.00003374273747
                3d
                   -2 :               0.00000629651173
                   -1 :               0.00000386754238
                   +0 :              -0.00000192207383
                   +1 :               0.00000253508107
                   +2 :              -0.00000379822433
             14 vec=    -7.989708     13.838880      8.182514   |vec|=   17.952816
                1s
                   +0 :              -0.00000181687415
                2s
                   +0 :               0.00001989296214
                3s
                   +0 :              -0.00000218684861
                2p
                   -1 :               0.00002533025863
                   +0 :              -0.00002425433075
                   +1 :              -0.00003036712716
                3p
                   -1 :               0.00000021321905
                   +0 :               0.00001918542745
                   +1 :               0.00001237019004
                3d
                   -2 :               0.00000073794757
                   -1 :               0.00000130992194
                   +0 :              -0.00000250669679
                   +1 :               0.00000099890602
                   +2 :               0.00000158881918
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 14)  npairs=  15
              1 vec=     2.802933     -4.128636      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00046669730318
                2s
                   +0 :               0.00360830709827
                3s
                   +0 :              -0.00071330780602
                2p
                   -1 :              -0.00094693645011
                   +0 :               0.00295333267059
                   +1 :              -0.00054431026893
                3p
                   -1 :              -0.00080055152435
                   +0 :              -0.00099645731485
                   +1 :               0.00004160829805
                3d
                   -2 :               0.00004951137309
                   -1 :              -0.00025167064019
                   +0 :               0.00006920405588
                   +1 :              -0.00012585577186
                   +2 :              -0.00010527456246
              2 vec=    -4.977229      0.363243      8.182514   |vec|=    9.584273
                1s
                   +0 :              -0.00059348575855
                2s
                   +0 :               0.00543167104188
                3s
                   +0 :              -0.00160460798309
                2p
                   -1 :               0.00218082351868
                   +0 :               0.00495130104541
                   +1 :              -0.00208008921310
                3p
                   -1 :               0.00035181117724
                   +0 :              -0.00162090630735
                   +1 :               0.00062794417483
                3d
                   -2 :              -0.00033387479464
                   -1 :               0.00029004302486
                   +0 :               0.00005453939413
                   +1 :               0.00022874467483
                   +2 :              -0.00008374063659
              3 vec=     2.802933      4.855122      8.182514   |vec|=    9.918779
                1s
                   +0 :              -0.00049921367889
                2s
                   +0 :               0.00405323399472
                3s
                   +0 :              -0.00059208204438
                2p
                   -1 :               0.00092491319527
                   +0 :               0.00171986672923
                   +1 :               0.00275836958130
                3p
                   -1 :               0.00013890310366
                   +0 :               0.00070077520603
                   +1 :              -0.00075919232430
                3d
                   -2 :              -0.00004973143092
                   -1 :              -0.00006614357388
                   +0 :               0.00011099997554
                   +1 :               0.00018503896799
                   +2 :               0.00005064177449
              4 vec=    -4.977229     -8.620515      8.182514   |vec|=   12.885636
                1s
                   +0 :              -0.00005511397268
                2s
                   +0 :               0.00070201101688
                3s
                   +0 :              -0.00025203885173
                2p
                   -1 :              -0.00005705267923
                   +0 :               0.00000649970830
                   +1 :              -0.00071729546266
                3p
                   -1 :               0.00009945066752
                   +0 :              -0.00015620652027
                   +1 :               0.00030087876939
                3d
                   -2 :              -0.00001679377524
                   -1 :               0.00004859747241
                   +0 :              -0.00001192833689
                   +1 :               0.00004742239461
                   +2 :              -0.00000443874722
              5 vec=    10.583096      0.363243      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00003305164584
                2s
                   +0 :               0.00045073760772
                3s
                   +0 :              -0.00005337550356
                2p
                   -1 :              -0.00006567086551
                   +0 :               0.00016058480825
                   +1 :               0.00037183257987
                3p
                   -1 :              -0.00009117474228
                   +0 :              -0.00016058303755
                   +1 :              -0.00002702096380
                3d
                   -2 :              -0.00000471373964
                   -1 :              -0.00001316559456
                   +0 :              -0.00001911432792
                   +1 :              -0.00000118372828
                   +2 :               0.00002337313834
              6 vec=    -4.977229      9.347001      8.182514   |vec|=   13.382555
                1s
                   +0 :               0.00004350783432
                2s
                   +0 :              -0.00017539227000
                3s
                   +0 :               0.00012277706188
                2p
                   -1 :              -0.00011682951523
                   +0 :              -0.00029247970780
                   +1 :               0.00005941936707
                3p
                   -1 :               0.00013081560630
                   +0 :               0.00019655320978
                   +1 :              -0.00004045356901
                3d
                   -2 :              -0.00001415380910
                   -1 :               0.00001377596360
                   +0 :              -0.00000009913652
                   +1 :              -0.00000105501897
                   +2 :              -0.00001492565651
              7 vec=     2.802933    -13.112394      8.182514   |vec|=   15.708114
                1s
                   +0 :               0.00001766179650
                2s
                   +0 :              -0.00005855493048
                3s
                   +0 :               0.00009028035886
                2p
                   -1 :               0.00021954659649
                   +0 :               0.00005343531214
                   +1 :               0.00006566225690
                3p
                   -1 :              -0.00025268653033
                   +0 :              -0.00000809907092
                   +1 :               0.00000260494340
                3d
                   -2 :              -0.00000707525287
                   -1 :              -0.00001153209118
                   +0 :               0.00000022800072
                   +1 :               0.00001089702859
                   +2 :               0.00000188652336
              8 vec=   -12.757392     -4.128636      8.182514   |vec|=   15.708285
                1s
                   +0 :               0.00002450629931
                2s
                   +0 :              -0.00020496752516
                3s
                   +0 :               0.00011723996253
                2p
                   -1 :               0.00013670216337
                   +0 :              -0.00009316593678
                   +1 :               0.00030709078449
                3p
                   -1 :              -0.00008372016094
                   +0 :               0.00005968713912
                   +1 :              -0.00019012108781
                3d
                   -2 :               0.00000413145712
                   -1 :              -0.00000870827045
                   +0 :               0.00001185270960
                   +1 :              -0.00000144498371
                   +2 :              -0.00000387692436
              9 vec=    10.583096     -8.620515      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00000298611175
                2s
                   +0 :               0.00001981395070
                3s
                   +0 :              -0.00004343176853
                2p
                   -1 :              -0.00001635591653
                   +0 :               0.00002100622971
                   +1 :               0.00011353836896
                3p
                   -1 :               0.00002112199173
                   +0 :               0.00007080389520
                   +1 :              -0.00008895254315
                3d
                   -2 :               0.00000235629169
                   -1 :              -0.00000686372079
                   +0 :               0.00000615833980
                   +1 :               0.00001544597379
                   +2 :               0.00000622177779
             10 vec=   -12.757392      4.855122      8.182514   |vec|=   15.914673
                1s
                   +0 :               0.00000929481200
                2s
                   +0 :               0.00000697856762
                3s
                   +0 :               0.00001217028886
                2p
                   -1 :              -0.00009526813924
                   +0 :               0.00007998135694
                   +1 :              -0.00020222145676
                3p
                   -1 :               0.00003977440776
                   +0 :              -0.00004727804559
                   +1 :               0.00011869132766
                3d
                   -2 :               0.00000120058986
                   -1 :               0.00000108740166
                   +0 :              -0.00000034712619
                   +1 :               0.00001198925092
                   +2 :              -0.00000157702626
             11 vec=    10.583096      9.347001      8.182514   |vec|=   16.319372
                1s
                   +0 :              -0.00001062470519
                2s
                   +0 :               0.00011015002294
                3s
                   +0 :              -0.00000064801980
                2p
                   -1 :               0.00008421098606
                   +0 :              -0.00008872884785
                   +1 :               0.00011909284757
                3p
                   -1 :               0.00000020333854
                   +0 :               0.00006285830929
                   +1 :              -0.00003835249428
                3d
                   -2 :              -0.00000202583112
                   -1 :               0.00000299093057
                   +0 :              -0.00000009694818
                   +1 :               0.00000601248711
                   +2 :              -0.00000218637134
             12 vec=     2.802933     13.838880      8.182514   |vec|=   16.319454
                1s
                   +0 :              -0.00000718108480
                2s
                   +0 :               0.00006939472195
                3s
                   +0 :               0.00000322158589
                2p
                   -1 :               0.00013039325662
                   +0 :               0.00001049133934
                   +1 :               0.00001265739514
                3p
                   -1 :              -0.00007131891934
                   +0 :              -0.00000913313344
                   +1 :               0.00001308298912
                3d
                   -2 :               0.00000084947706
                   -1 :               0.00000411022685
                   +0 :               0.00000224652395
                   +1 :              -0.00000396860797
                   +2 :               0.00000239727240
             13 vec=     2.802933     -4.128636    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00003341484661
                2s
                   +0 :              -0.00022429747783
                3s
                   +0 :               0.00008518168559
                2p
                   -1 :               0.00012632944621
                   +0 :               0.00030288668436
                   +1 :              -0.00017396166459
                3p
                   -1 :              -0.00011475592373
                   +0 :              -0.00014763558042
                   +1 :               0.00006927983511
                3d
                   -2 :               0.00000342049533
                   -1 :               0.00000410563170
                   +0 :               0.00000277557821
                   +1 :               0.00000122174425
                   +2 :              -0.00000435858201
             14 vec=    -4.977229      0.363243    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00002126130733
                2s
                   +0 :              -0.00018047694553
                3s
                   +0 :               0.00004585346279
                2p
                   -1 :               0.00010506279150
                   +0 :               0.00020820195712
                   +1 :              -0.00006208734026
                3p
                   -1 :              -0.00004594523010
                   +0 :              -0.00008244997512
                   +1 :               0.00000481729666
                3d
                   -2 :              -0.00000430217329
                   -1 :              -0.00000246770391
                   +0 :               0.00000529445914
                   +1 :               0.00000821766714
                   +2 :               0.00000463542752
             15 vec=     2.802933      4.855122    -16.365028   |vec|=   17.298636
                1s
                   +0 :               0.00000867061646
                2s
                   +0 :              -0.00009914975700
                3s
                   +0 :              -0.00000404734554
                2p
                   -1 :              -0.00002509610862
                   +0 :               0.00015918800918
                   +1 :               0.00005038981817
                3p
                   -1 :              -0.00003571496411
                   +0 :              -0.00000162784105
                   +1 :               0.00001658563821
                3d
                   -2 :               0.00000538157914
                   -1 :               0.00000799493240
                   +0 :              -0.00000217359696
                   +1 :              -0.00000763732535
                   +2 :              -0.00000325976762
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 15)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00034046239039
                2s
                   +0 :               0.00336793341713
                3s
                   +0 :              -0.00051463054075
                2p
                   -1 :              -0.00308695859334
                   +0 :               0.00236357156747
                   +1 :               0.00097638358832
                3p
                   -1 :               0.00064779452947
                   +0 :              -0.00047826703017
                   +1 :               0.00007625648762
                3d
                   -2 :              -0.00004551266578
                   -1 :              -0.00012758084016
                   +0 :              -0.00000470393407
                   +1 :               0.00006278889034
                   +2 :              -0.00003843676838
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00048286829960
                2s
                   +0 :               0.00497872996796
                3s
                   +0 :              -0.00068175521082
                2p
                   -1 :               0.00243503069966
                   +0 :               0.00518932292740
                   +1 :               0.00309031301281
                3p
                   -1 :              -0.00112917767370
                   +0 :              -0.00103246483369
                   +1 :              -0.00067940130103
                3d
                   -2 :               0.00002798725661
                   -1 :               0.00005902062352
                   +0 :               0.00009630247916
                   +1 :               0.00012843368615
                   +2 :               0.00002639564331
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00032314081075
                2s
                   +0 :               0.00283330233677
                3s
                   +0 :              -0.00066972230577
                2p
                   -1 :               0.00188224045238
                   +0 :               0.00279384763374
                   +1 :              -0.00021155735498
                3p
                   -1 :              -0.00138271132034
                   +0 :              -0.00074995210639
                   +1 :              -0.00129343669075
                3d
                   -2 :              -0.00006156089745
                   -1 :              -0.00036133381824
                   +0 :               0.00007014250185
                   +1 :              -0.00030633358729
                   +2 :               0.00040713410732
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00002652727121
                2s
                   +0 :              -0.00000869066195
                3s
                   +0 :               0.00009239280477
                2p
                   -1 :              -0.00036402117033
                   +0 :              -0.00028444476457
                   +1 :              -0.00006315137730
                3p
                   -1 :               0.00033723852385
                   +0 :               0.00019873473233
                   +1 :               0.00024173058112
                3d
                   -2 :               0.00002577207551
                   -1 :               0.00001898074001
                   +0 :               0.00003711627484
                   +1 :               0.00000102615557
                   +2 :               0.00003118606707
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00003278640915
                2s
                   +0 :              -0.00006691049088
                3s
                   +0 :               0.00008070425025
                2p
                   -1 :              -0.00018853779073
                   +0 :               0.00029656782037
                   +1 :               0.00017944454058
                3p
                   -1 :               0.00010118963914
                   +0 :              -0.00029153868962
                   +1 :              -0.00011708250764
                3d
                   -2 :               0.00000256004412
                   -1 :               0.00002126228024
                   +0 :               0.00003452287496
                   +1 :               0.00002926765539
                   +2 :               0.00000224091471
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000801008223
                2s
                   +0 :               0.00029065870188
                3s
                   +0 :               0.00001916826728
                2p
                   -1 :               0.00053287453165
                   +0 :              -0.00042820807470
                   +1 :               0.00008642880071
                3p
                   -1 :              -0.00028984677976
                   +0 :               0.00013634211468
                   +1 :              -0.00001860480894
                3d
                   -2 :               0.00002224824098
                   -1 :              -0.00004667320673
                   +0 :              -0.00000023029010
                   +1 :              -0.00000147258285
                   +2 :               0.00002237911252
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000364704746
                2s
                   +0 :               0.00006838300251
                3s
                   +0 :               0.00002958559925
                2p
                   -1 :               0.00018068182926
                   +0 :              -0.00018518061817
                   +1 :              -0.00004645328811
                3p
                   -1 :              -0.00026354332529
                   +0 :               0.00016736662931
                   +1 :              -0.00002119974474
                3d
                   -2 :               0.00001168896641
                   -1 :              -0.00001082139283
                   +0 :              -0.00001312321933
                   +1 :              -0.00000954244965
                   +2 :              -0.00000744666536
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000074276368
                2s
                   +0 :               0.00007356108561
                3s
                   +0 :               0.00002035196245
                2p
                   -1 :              -0.00003456857956
                   +0 :              -0.00002624012241
                   +1 :              -0.00003060261376
                3p
                   -1 :              -0.00001805176719
                   +0 :               0.00003028934638
                   +1 :              -0.00005531490507
                3d
                   -2 :              -0.00000352530400
                   -1 :               0.00000492554560
                   +0 :              -0.00000586592904
                   +1 :              -0.00000229341736
                   +2 :               0.00000562598916
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001417139147
                2s
                   +0 :              -0.00009067185719
                3s
                   +0 :              -0.00001553752038
                2p
                   -1 :               0.00003727418840
                   +0 :               0.00006755021046
                   +1 :              -0.00011396684020
                3p
                   -1 :              -0.00001470129985
                   +0 :               0.00002941173527
                   +1 :               0.00001717583720
                3d
                   -2 :               0.00000425880744
                   -1 :              -0.00000192025664
                   +0 :              -0.00000072717291
                   +1 :               0.00000515647155
                   +2 :              -0.00000830474268
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00001386200185
                2s
                   +0 :              -0.00004996695441
                3s
                   +0 :               0.00007147589117
                2p
                   -1 :               0.00003742194661
                   +0 :              -0.00006301250069
                   +1 :               0.00004734743057
                3p
                   -1 :              -0.00004409715305
                   +0 :               0.00006493511621
                   +1 :               0.00002493939412
                3d
                   -2 :              -0.00000158854278
                   -1 :              -0.00000147541436
                   +0 :               0.00000620881308
                   +1 :               0.00000372940766
                   +2 :               0.00000275387861
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000461036522
                2s
                   +0 :               0.00003116349832
                3s
                   +0 :               0.00001256035085
                2p
                   -1 :               0.00009782319510
                   +0 :               0.00002503086759
                   +1 :              -0.00004363558382
                3p
                   -1 :              -0.00002384671339
                   +0 :              -0.00000095099768
                   +1 :               0.00001397515919
                3d
                   -2 :               0.00000084206485
                   -1 :               0.00000009256496
                   +0 :               0.00000177187455
                   +1 :               0.00000186611650
                   +2 :              -0.00000195392403
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00001459526242
                2s
                   +0 :              -0.00010728845128
                3s
                   +0 :               0.00015456006707
                2p
                   -1 :              -0.00022773214770
                   +0 :              -0.00015752967963
                   +1 :              -0.00011130160815
                3p
                   -1 :               0.00021907469240
                   +0 :               0.00015995235787
                   +1 :               0.00007553183607
                3d
                   -2 :              -0.00000023415840
                   -1 :               0.00005553644515
                   +0 :               0.00001968547046
                   +1 :              -0.00000006162632
                   +2 :              -0.00002827438975
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00000557188880
                2s
                   +0 :              -0.00001452892489
                3s
                   +0 :              -0.00003939747104
                2p
                   -1 :              -0.00011010107584
                   +0 :               0.00014105892386
                   +1 :               0.00002532873779
                3p
                   -1 :               0.00011241471948
                   +0 :               0.00001778537488
                   +1 :               0.00003711249800
                3d
                   -2 :              -0.00000286349498
                   -1 :              -0.00000099552069
                   +0 :               0.00000255577193
                   +1 :              -0.00001027659706
                   +2 :               0.00000235620851
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003496763724
                2s
                   +0 :              -0.00024533407883
                3s
                   +0 :               0.00009291937031
                2p
                   -1 :               0.00001611144268
                   +0 :               0.00017574656524
                   +1 :               0.00007542691010
                3p
                   -1 :               0.00004015144343
                   +0 :              -0.00007151407659
                   +1 :              -0.00007158747309
                3d
                   -2 :               0.00000630466124
                   -1 :              -0.00000580616829
                   +0 :               0.00000823984831
                   +1 :               0.00000483243781
                   +2 :              -0.00000437989530
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00001813483268
                2s
                   +0 :              -0.00014805236979
                3s
                   +0 :               0.00001918505626
                2p
                   -1 :              -0.00001431825311
                   +0 :               0.00008677000365
                   +1 :              -0.00009700488016
                3p
                   -1 :              -0.00000854811981
                   +0 :               0.00005546493318
                   +1 :               0.00003049646299
                3d
                   -2 :               0.00000330230142
                   -1 :               0.00000192611702
                   +0 :              -0.00000506232729
                   +1 :               0.00000538590865
                   +2 :              -0.00000494946629
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 16)  npairs=  14
              1 vec=     2.802933     -1.376012     -4.091257   |vec|=    5.146672
                1s
                   +0 :               0.00236894121958
                2s
                   +0 :              -0.06024478981098
                3s
                   +0 :               0.00349957809612
                2p
                   -1 :               0.01433482264424
                   +0 :               0.02368979887238
                   +1 :              -0.02139710971613
                3p
                   -1 :              -0.00343270782189
                   +0 :               0.00311780944488
                   +1 :              -0.00311116219713
                3d
                   -2 :               0.00090272573933
                   -1 :              -0.00195888315365
                   +0 :              -0.00150308396899
                   +1 :               0.00253310603431
                   +2 :              -0.00060294441265
              2 vec=    -4.977229      3.115867     -4.091257   |vec|=    7.156803
                1s
                   +0 :              -0.00009963442598
                2s
                   +0 :               0.00151550900446
                3s
                   +0 :              -0.00059447976086
                2p
                   -1 :               0.00076389044881
                   +0 :               0.00143972956808
                   +1 :               0.00033212214060
                3p
                   -1 :              -0.00119015363896
                   +0 :              -0.00107483502611
                   +1 :               0.00054107319954
                3d
                   -2 :              -0.00008057829373
                   -1 :              -0.00004512956396
                   +0 :               0.00031771958452
                   +1 :               0.00017688107150
                   +2 :               0.00006641527616
              3 vec=    -4.977229     -5.867891     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00026697670563
                2s
                   +0 :               0.00275548671173
                3s
                   +0 :              -0.00098458023558
                2p
                   -1 :               0.00078086443911
                   +0 :              -0.00338340135787
                   +1 :              -0.00256020769993
                3p
                   -1 :               0.00020463958760
                   +0 :               0.00080488212322
                   +1 :               0.00131085465582
                3d
                   -2 :              -0.00003686475599
                   -1 :               0.00020438670389
                   +0 :               0.00010267500240
                   +1 :              -0.00007648364490
                   +2 :               0.00009033630429
              4 vec=     2.802933      7.607746     -4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00011960441464
                2s
                   +0 :               0.00051916013931
                3s
                   +0 :              -0.00052470283864
                2p
                   -1 :              -0.00269075217554
                   +0 :              -0.00109367545176
                   +1 :              -0.00050885692545
                3p
                   -1 :               0.00181884038901
                   +0 :               0.00006218802415
                   +1 :              -0.00057618672439
                3d
                   -2 :              -0.00011857164348
                   -1 :              -0.00012528426939
                   +0 :              -0.00002030652718
                   +1 :              -0.00005430270533
                   +2 :              -0.00011112128663
              5 vec=     2.802933    -10.359770     -4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00025876286525
                2s
                   +0 :               0.00145945987405
                3s
                   +0 :              -0.00081917674716
                2p
                   -1 :              -0.00075906582836
                   +0 :               0.00053963041951
                   +1 :               0.00087990722868
                3p
                   -1 :               0.00078094376900
                   +0 :              -0.00056210432245
                   +1 :              -0.00081276886952
                3d
                   -2 :               0.00007632655695
                   -1 :               0.00002431355304
                   +0 :               0.00005124479287
                   +1 :              -0.00001752196724
                   +2 :              -0.00000356803933
              6 vec=    10.583096      3.115867     -4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00002926856532
                2s
                   +0 :               0.00004979298679
                3s
                   +0 :              -0.00014306179207
                2p
                   -1 :              -0.00007436378287
                   +0 :              -0.00017558458090
                   +1 :              -0.00026233364022
                3p
                   -1 :              -0.00005997588958
                   +0 :               0.00006335806303
                   +1 :               0.00005573810413
                3d
                   -2 :              -0.00000559665739
                   -1 :              -0.00000053393832
                   +0 :               0.00002019098939
                   +1 :              -0.00000328097726
                   +2 :              -0.00001026180585
              7 vec=    10.583096     -5.867891     -4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00002422786459
                2s
                   +0 :               0.00003693783583
                3s
                   +0 :              -0.00014618364337
                2p
                   -1 :               0.00011078945590
                   +0 :              -0.00006616015626
                   +1 :               0.00040360387839
                3p
                   -1 :               0.00004713592042
                   +0 :               0.00016282475895
                   +1 :              -0.00031216946610
                3d
                   -2 :              -0.00000375209138
                   -1 :              -0.00003456537968
                   +0 :               0.00004172784467
                   +1 :              -0.00000556018159
                   +2 :              -0.00000327383330
              8 vec=   -12.757392     -1.376012     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00007299417270
                2s
                   +0 :              -0.00083016701801
                3s
                   +0 :               0.00018014854503
                2p
                   -1 :              -0.00008656728157
                   +0 :              -0.00017286474957
                   +1 :               0.00085607580273
                3p
                   -1 :               0.00005989308214
                   +0 :               0.00012168889864
                   +1 :              -0.00028365578977
                3d
                   -2 :              -0.00002710186725
                   -1 :               0.00001549022650
                   +0 :               0.00001770878262
                   +1 :              -0.00001850969550
                   +2 :              -0.00002195004660
              9 vec=    -4.977229     12.099625     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00000696276335
                2s
                   +0 :              -0.00025049722959
                3s
                   +0 :              -0.00009632277993
                2p
                   -1 :              -0.00046856394730
                   +0 :               0.00008992218263
                   +1 :               0.00028725797488
                3p
                   -1 :               0.00013749073309
                   +0 :              -0.00010598229534
                   +1 :              -0.00005922038495
                3d
                   -2 :               0.00001731954233
                   -1 :              -0.00003120448524
                   +0 :               0.00001108413035
                   +1 :               0.00000040191786
                   +2 :               0.00001157245574
             10 vec=   -12.757392      7.607746     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00004372802962
                2s
                   +0 :               0.00024117095760
                3s
                   +0 :              -0.00012567257864
                2p
                   -1 :               0.00003612825366
                   +0 :               0.00001018170411
                   +1 :              -0.00013403796250
                3p
                   -1 :              -0.00002850288814
                   +0 :              -0.00002123084132
                   +1 :               0.00013044702308
                3d
                   -2 :               0.00000712860534
                   -1 :               0.00000007693024
                   +0 :               0.00000114958439
                   +1 :              -0.00000268975870
                   +2 :              -0.00000837492223
             11 vec=    -4.977229    -14.851649     -4.091257   |vec|=   16.188968
                1s
                   +0 :              -0.00000884894497
                2s
                   +0 :               0.00005500350937
                3s
                   +0 :              -0.00006306660948
                2p
                   -1 :              -0.00014297435538
                   +0 :              -0.00004883308610
                   +1 :              -0.00017973621970
                3p
                   -1 :               0.00018500137683
                   +0 :               0.00002340813332
                   +1 :               0.00019867024702
                3d
                   -2 :              -0.00002711855659
                   -1 :              -0.00000350896795
                   +0 :               0.00000723359940
                   +1 :              -0.00000361597180
                   +2 :               0.00000673469253
             12 vec=    10.583096     12.099625     -4.091257   |vec|=   16.587381
                1s
                   +0 :               0.00000127528180
                2s
                   +0 :              -0.00001999181089
                3s
                   +0 :              -0.00000681463410
                2p
                   -1 :               0.00000489792094
                   +0 :              -0.00004312941355
                   +1 :               0.00013361790615
                3p
                   -1 :              -0.00003730835058
                   +0 :               0.00001520719655
                   +1 :              -0.00014353338758
                3d
                   -2 :              -0.00000943331351
                   -1 :               0.00000244023728
                   +0 :               0.00000901618859
                   +1 :              -0.00000274458204
                   +2 :               0.00000058064407
             13 vec=   -12.757392    -10.359770     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00000912322035
                2s
                   +0 :              -0.00005913840671
                3s
                   +0 :               0.00003277323200
                2p
                   -1 :              -0.00002121997944
                   +0 :               0.00004655082348
                   +1 :               0.00005799974754
                3p
                   -1 :               0.00004081066240
                   +0 :              -0.00005210149884
                   +1 :              -0.00002509708775
                3d
                   -2 :               0.00000206644066
                   -1 :               0.00000011017040
                   +0 :               0.00000597484037
                   +1 :               0.00000930073042
                   +2 :               0.00000675141870
             14 vec=     2.802933     16.591504     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00000121618980
                2s
                   +0 :              -0.00002679086588
                3s
                   +0 :              -0.00000829384189
                2p
                   -1 :              -0.00004341431001
                   +0 :              -0.00005563640112
                   +1 :               0.00006382927017
                3p
                   -1 :               0.00000298828058
                   +0 :               0.00003102942423
                   +1 :              -0.00005409212551
                3d
                   -2 :               0.00000083039390
                   -1 :              -0.00000171002622
                   +0 :              -0.00000228538119
                   +1 :               0.00000063554183
                   +2 :               0.00000481540385
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 17)  npairs=  14
              1 vec=    -0.209546      3.115867     -4.091257   |vec|=    5.146933
                1s
                   +0 :               0.00244480290500
                2s
                   +0 :              -0.05291713171730
                3s
                   +0 :               0.00361095973478
                2p
                   -1 :              -0.02483478877724
                   +0 :               0.02508600057968
                   +1 :               0.00588071077656
                3p
                   -1 :               0.00137401084278
                   +0 :              -0.00004998677353
                   +1 :              -0.00324668593810
                3d
                   -2 :               0.00063377500519
                   -1 :               0.00292461974684
                   +0 :              -0.00100940089212
                   +1 :              -0.00079635177821
                   +2 :               0.00120881300934
              2 vec=    -0.209546     -5.867891     -4.091257   |vec|=    7.156427
                1s
                   +0 :               0.00227431978563
                2s
                   +0 :              -0.01623688272556
                3s
                   +0 :               0.00762274220947
                2p
                   -1 :               0.01522950804878
                   +0 :               0.00577509921721
                   +1 :               0.00125039381523
                3p
                   -1 :              -0.01084492478528
                   +0 :              -0.00451353909850
                   +1 :              -0.00062277177352
                3d
                   -2 :               0.00005072732197
                   -1 :               0.00051808460945
                   +0 :              -0.00035756250676
                   +1 :               0.00002447220095
                   +2 :              -0.00075876103991
              3 vec=     7.570617     -1.376012     -4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00009558940108
                2s
                   +0 :              -0.00087320127239
                3s
                   +0 :              -0.00005024533821
                2p
                   -1 :              -0.00138710731636
                   +0 :              -0.00274904071783
                   +1 :              -0.00537675288443
                3p
                   -1 :               0.00065384794915
                   +0 :               0.00056370608329
                   +1 :               0.00198518241081
                3d
                   -2 :              -0.00000164695264
                   -1 :               0.00004498063833
                   +0 :               0.00012212165196
                   +1 :              -0.00013087916594
                   +2 :              -0.00007713360932
              4 vec=    -7.989708     -1.376012     -4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00016867918136
                2s
                   +0 :              -0.00120198227014
                3s
                   +0 :               0.00017294154314
                2p
                   -1 :              -0.00115903256967
                   +0 :              -0.00193827939755
                   +1 :               0.00200712625224
                3p
                   -1 :               0.00074537544223
                   +0 :               0.00056811205016
                   +1 :               0.00061199189005
                3d
                   -2 :              -0.00008725770096
                   -1 :               0.00001379258314
                   +0 :               0.00014640987123
                   +1 :               0.00002878987645
                   +2 :              -0.00020086684452
              5 vec=     7.570617      7.607746     -4.091257   |vec|=   11.486097
                1s
                   +0 :               0.00004552833389
                2s
                   +0 :              -0.00060120267215
                3s
                   +0 :               0.00017949570069
                2p
                   -1 :              -0.00086427274153
                   +0 :              -0.00018448712314
                   +1 :               0.00010144982847
                3p
                   -1 :               0.00069271565934
                   +0 :               0.00011912963498
                   +1 :              -0.00028658269600
                3d
                   -2 :               0.00005385668993
                   -1 :              -0.00003754377174
                   +0 :              -0.00004694704177
                   +1 :               0.00000503719141
                   +2 :              -0.00005020958245
              6 vec=    -7.989708      7.607746     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00006918106013
                2s
                   +0 :              -0.00045525816159
                3s
                   +0 :               0.00022180573274
                2p
                   -1 :               0.00003608292398
                   +0 :              -0.00030966622122
                   +1 :               0.00096378569320
                3p
                   -1 :               0.00006293966529
                   +0 :               0.00014934881274
                   +1 :              -0.00086325632524
                3d
                   -2 :              -0.00006762228055
                   -1 :               0.00000718229966
                   +0 :              -0.00003196819067
                   +1 :               0.00001078686259
                   +2 :              -0.00000394873083
              7 vec=    -0.209546     12.099625     -4.091257   |vec|=   12.774318
                1s
                   +0 :              -0.00000634028196
                2s
                   +0 :              -0.00012667735588
                3s
                   +0 :              -0.00002969786065
                2p
                   -1 :               0.00012406872719
                   +0 :               0.00028566151560
                   +1 :              -0.00009933252341
                3p
                   -1 :              -0.00020018824029
                   +0 :              -0.00014039995713
                   +1 :               0.00001634417190
                3d
                   -2 :               0.00001691571416
                   -1 :              -0.00001995921834
                   +0 :               0.00000536036429
                   +1 :              -0.00002210897166
                   +2 :              -0.00002701096726
              8 vec=     7.570617    -10.359770     -4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00000163184069
                2s
                   +0 :              -0.00020320996302
                3s
                   +0 :              -0.00009475249028
                2p
                   -1 :               0.00005013862471
                   +0 :               0.00008039988075
                   +1 :              -0.00013561936695
                3p
                   -1 :               0.00022337717592
                   +0 :              -0.00005307170519
                   +1 :              -0.00004758998110
                3d
                   -2 :               0.00003620197801
                   -1 :               0.00001835401450
                   +0 :               0.00002491875761
                   +1 :               0.00000078127958
                   +2 :               0.00002227590779
              9 vec=    -7.989708    -10.359770     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00000113729154
                2s
                   +0 :              -0.00006508023983
                3s
                   +0 :              -0.00003239932155
                2p
                   -1 :              -0.00003721165620
                   +0 :              -0.00015870697395
                   +1 :               0.00023817745280
                3p
                   -1 :               0.00007174033615
                   +0 :               0.00010889369954
                   +1 :              -0.00014199278182
                3d
                   -2 :               0.00001384218626
                   -1 :              -0.00000633373317
                   +0 :               0.00000427548956
                   +1 :               0.00000283395214
                   +2 :              -0.00000979265540
             10 vec=    -0.209546    -14.851649     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00002156253225
                2s
                   +0 :              -0.00012328079329
                3s
                   +0 :               0.00003091242606
                2p
                   -1 :               0.00019368853726
                   +0 :               0.00007778873202
                   +1 :               0.00004982671933
                3p
                   -1 :              -0.00008569510992
                   +0 :              -0.00008495403042
                   +1 :              -0.00002879187362
                3d
                   -2 :              -0.00000749041182
                   -1 :               0.00000764028184
                   +0 :               0.00001267838889
                   +1 :               0.00000823793236
                   +2 :               0.00001609869562
             11 vec=    15.350780      3.115867     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00000621982994
                2s
                   +0 :              -0.00003001260318
                3s
                   +0 :              -0.00000470646328
                2p
                   -1 :              -0.00002800087233
                   +0 :              -0.00002924895601
                   +1 :              -0.00002810687308
                3p
                   -1 :              -0.00000895343456
                   +0 :               0.00001019424691
                   +1 :              -0.00001544660477
                3d
                   -2 :              -0.00000507835087
                   -1 :               0.00000454566227
                   +0 :               0.00001119986814
                   +1 :               0.00000436217735
                   +2 :               0.00000650744464
             12 vec=   -15.769871      3.115867     -4.091257   |vec|=   16.587219
                1s
                   +0 :              -0.00002072251860
                2s
                   +0 :               0.00012941967553
                3s
                   +0 :              -0.00006355223282
                2p
                   -1 :              -0.00003108441345
                   +0 :               0.00004282073131
                   +1 :              -0.00011642210654
                3p
                   -1 :               0.00001564826686
                   +0 :              -0.00006123294419
                   +1 :               0.00009420387497
                3d
                   -2 :               0.00000042880707
                   -1 :              -0.00000178838580
                   +0 :               0.00000743992924
                   +1 :              -0.00000043486776
                   +2 :              -0.00000247476174
             13 vec=    15.350780     -5.867891     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00000169714570
                2s
                   +0 :               0.00002703085479
                3s
                   +0 :              -0.00000386389686
                2p
                   -1 :              -0.00004662613226
                   +0 :              -0.00009273298830
                   +1 :              -0.00001404133824
                3p
                   -1 :               0.00005568755232
                   +0 :               0.00005986919481
                   +1 :               0.00002051719266
                3d
                   -2 :               0.00000144992142
                   -1 :              -0.00000286991633
                   +0 :              -0.00000407576081
                   +1 :              -0.00000354760540
                   +2 :              -0.00000449703057
             14 vec=   -15.769871     -5.867891     -4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00000187222307
                2s
                   +0 :              -0.00001018623229
                3s
                   +0 :               0.00000204941620
                2p
                   -1 :               0.00008056541573
                   +0 :               0.00004594368204
                   +1 :              -0.00001483891678
                3p
                   -1 :              -0.00003102108183
                   +0 :              -0.00006292362636
                   +1 :               0.00000428105434
                3d
                   -2 :               0.00000162833570
                   -1 :              -0.00000005421941
                   +0 :               0.00000198626278
                   +1 :               0.00000044106191
                   +2 :               0.00000081164387
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 18)  npairs=  14
              1 vec=    -2.593388     -1.013068     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00269559740430
                2s
                   +0 :              -0.08187054589168
                3s
                   +0 :               0.00475938177092
                2p
                   -1 :               0.01183357772199
                   +0 :               0.04394476996882
                   +1 :               0.03519939962891
                3p
                   -1 :              -0.00196160675631
                   +0 :              -0.00588337641994
                   +1 :              -0.00415181134856
                3d
                   -2 :              -0.00132754443137
                   -1 :              -0.00056008467957
                   +0 :              -0.00101678830652
                   +1 :              -0.00158430607078
                   +2 :              -0.00173992244948
              2 vec=     5.186775      3.478811     -4.091257   |vec|=    7.466133
                1s
                   +0 :               0.00040521193650
                2s
                   +0 :              -0.00304751216606
                3s
                   +0 :               0.00143797508691
                2p
                   -1 :               0.00008183003716
                   +0 :               0.00184797340648
                   +1 :              -0.00376397174912
                3p
                   -1 :              -0.00079414367682
                   +0 :              -0.00074350381582
                   +1 :               0.00220104279804
                3d
                   -2 :               0.00021547769105
                   -1 :               0.00001269795260
                   +0 :              -0.00038998845834
                   +1 :              -0.00013016734672
                   +2 :               0.00006870410153
              3 vec=     5.186775     -5.504947     -4.091257   |vec|=    8.599155
                1s
                   +0 :               0.00024984238942
                2s
                   +0 :              -0.00110825569393
                3s
                   +0 :               0.00086822985045
                2p
                   -1 :               0.00312439500815
                   +0 :              -0.00360324440793
                   +1 :              -0.00116806529392
                3p
                   -1 :              -0.00095618579558
                   +0 :               0.00061563790701
                   +1 :               0.00181137692095
                3d
                   -2 :              -0.00003385922529
                   -1 :               0.00017442170066
                   +0 :               0.00001334943332
                   +1 :              -0.00020670471917
                   +2 :               0.00019445030311
              4 vec=    -2.593388      7.970690     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00026114830535
                2s
                   +0 :              -0.00187113886022
                3s
                   +0 :               0.00060416193918
                2p
                   -1 :              -0.00236131324276
                   +0 :               0.00028470059443
                   +1 :               0.00107609554118
                3p
                   -1 :               0.00093057513322
                   +0 :              -0.00113508450408
                   +1 :               0.00007527573240
                3d
                   -2 :               0.00006504118951
                   -1 :              -0.00015083494645
                   +0 :               0.00001529310177
                   +1 :               0.00005674402669
                   +2 :               0.00001091027846
              5 vec=    -2.593388     -9.996826     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00018109829031
                2s
                   +0 :               0.00079705340109
                3s
                   +0 :              -0.00040853481200
                2p
                   -1 :               0.00069822801445
                   +0 :               0.00096834976245
                   +1 :               0.00114952477746
                3p
                   -1 :              -0.00050893213301
                   +0 :              -0.00104702764316
                   +1 :              -0.00095223580546
                3d
                   -2 :               0.00011116544671
                   -1 :               0.00002737304559
                   +0 :              -0.00007741739930
                   +1 :               0.00004789433466
                   +2 :              -0.00006477937265
              6 vec=   -10.373550      3.478811     -4.091257   |vec|=   11.681226
                1s
                   +0 :               0.00003297756803
                2s
                   +0 :              -0.00015691968057
                3s
                   +0 :               0.00000823634000
                2p
                   -1 :              -0.00059076286873
                   +0 :               0.00001573104338
                   +1 :               0.00031816848492
                3p
                   -1 :               0.00050075957041
                   +0 :              -0.00012217743519
                   +1 :              -0.00038628807631
                3d
                   -2 :              -0.00000111367259
                   -1 :               0.00001241787650
                   +0 :              -0.00000000224863
                   +1 :              -0.00003429363860
                   +2 :               0.00002370090822
              7 vec=   -10.373550     -5.504947     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00002282425046
                2s
                   +0 :              -0.00031762553216
                3s
                   +0 :               0.00006278965128
                2p
                   -1 :               0.00058076458906
                   +0 :               0.00011469175098
                   +1 :              -0.00000723726957
                3p
                   -1 :              -0.00030591137207
                   +0 :               0.00001681378755
                   +1 :              -0.00008519839917
                3d
                   -2 :              -0.00000077607599
                   -1 :               0.00000416017382
                   +0 :              -0.00002100326717
                   +1 :               0.00001747382165
                   +2 :               0.00001195088526
              8 vec=    12.966938     -1.013068     -4.091257   |vec|=   13.634741
                1s
                   +0 :              -0.00000749757068
                2s
                   +0 :              -0.00022217605213
                3s
                   +0 :              -0.00018351479752
                2p
                   -1 :              -0.00028211029672
                   +0 :               0.00004431640757
                   +1 :              -0.00013938300430
                3p
                   -1 :               0.00019661681502
                   +0 :               0.00006646747624
                   +1 :              -0.00038796635697
                3d
                   -2 :               0.00000984859559
                   -1 :              -0.00000529352300
                   +0 :               0.00000999414838
                   +1 :               0.00002801239743
                   +2 :              -0.00005942103738
              9 vec=     5.186775     12.462569     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00000236605276
                2s
                   +0 :              -0.00010130423534
                3s
                   +0 :              -0.00006838002551
                2p
                   -1 :               0.00007666593842
                   +0 :              -0.00005346991064
                   +1 :              -0.00010416597681
                3p
                   -1 :              -0.00023582331478
                   +0 :               0.00004686615342
                   +1 :              -0.00000592916869
                3d
                   -2 :              -0.00001510012874
                   -1 :               0.00000219755544
                   +0 :               0.00002953347597
                   +1 :               0.00001913336484
                   +2 :               0.00001986901790
             10 vec=    12.966938      7.970690     -4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000876449411
                2s
                   +0 :               0.00000746317076
                3s
                   +0 :              -0.00002017103894
                2p
                   -1 :               0.00007383486178
                   +0 :               0.00002198376161
                   +1 :              -0.00005186787002
                3p
                   -1 :              -0.00010753219573
                   +0 :              -0.00001427467124
                   +1 :              -0.00000402153064
                3d
                   -2 :              -0.00000017795988
                   -1 :              -0.00000226611729
                   +0 :              -0.00000337142326
                   +1 :              -0.00000176134651
                   +2 :               0.00000433585202
             11 vec=     5.186775    -14.488705     -4.091257   |vec|=   15.923681
                1s
                   +0 :               0.00005553381991
                2s
                   +0 :              -0.00032894531742
                3s
                   +0 :               0.00016365356923
                2p
                   -1 :               0.00010294492537
                   +0 :               0.00015826734634
                   +1 :              -0.00004094586017
                3p
                   -1 :              -0.00003912880879
                   +0 :              -0.00016864947930
                   +1 :               0.00002961252429
                3d
                   -2 :              -0.00000765505340
                   -1 :               0.00002491793764
                   +0 :               0.00001163777661
                   +1 :              -0.00001332431952
                   +2 :               0.00000156844114
             12 vec=   -10.373550     12.462569     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00001986983192
                2s
                   +0 :               0.00011868050581
                3s
                   +0 :              -0.00007096937353
                2p
                   -1 :               0.00003999525014
                   +0 :              -0.00006868797801
                   +1 :               0.00000915796092
                3p
                   -1 :              -0.00002316882605
                   +0 :               0.00004406287331
                   +1 :               0.00001267321697
                3d
                   -2 :              -0.00000022004487
                   -1 :              -0.00000110349362
                   +0 :               0.00000173553766
                   +1 :              -0.00000210425877
                   +2 :               0.00000336184393
             13 vec=    12.966938     -9.996826     -4.091257   |vec|=   16.876504
                1s
                   +0 :               0.00000565965650
                2s
                   +0 :              -0.00003172097634
                3s
                   +0 :               0.00001488398176
                2p
                   -1 :               0.00004632973880
                   +0 :              -0.00007363079384
                   +1 :               0.00002640213375
                3p
                   -1 :              -0.00002448620801
                   +0 :               0.00004537254496
                   +1 :              -0.00004675988167
                3d
                   -2 :               0.00000789445662
                   -1 :              -0.00000780080391
                   +0 :               0.00000067188740
                   +1 :               0.00000300081712
                   +2 :              -0.00000511210724
             14 vec=    -2.593388     16.954448     -4.091257   |vec|=   17.632848
                1s
                   +0 :               0.00000499490796
                2s
                   +0 :              -0.00004833183496
                3s
                   +0 :               0.00000789463190
                2p
                   -1 :              -0.00003299301327
                   +0 :              -0.00001892000376
                   +1 :              -0.00004364637265
                3p
                   -1 :               0.00000755632671
                   +0 :               0.00001163636556
                   +1 :               0.00002101634022
                3d
                   -2 :              -0.00000565079838
                   -1 :              -0.00000060141222
                   +0 :              -0.00000046897148
                   +1 :              -0.00000008553010
                   +2 :              -0.00000063378011
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 19)  npairs=  15
              1 vec=    -2.802674     -4.128785     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00034368947021
                2s
                   +0 :              -0.00268273289071
                3s
                   +0 :               0.00036719275999
                2p
                   -1 :               0.00143501772968
                   +0 :               0.00355809284516
                   +1 :               0.00014900168495
                3p
                   -1 :               0.00109986122218
                   +0 :              -0.00057691390405
                   +1 :              -0.00078824847500
                3d
                   -2 :               0.00003415432297
                   -1 :              -0.00032570565176
                   +0 :              -0.00014218976151
                   +1 :               0.00013885205621
                   +2 :               0.00017374593234
              2 vec=     4.977489      0.363094     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00030969681433
                2s
                   +0 :              -0.00356136754013
                3s
                   +0 :               0.00019207896339
                2p
                   -1 :              -0.00451827323026
                   +0 :               0.00364177918843
                   +1 :              -0.00076238527818
                3p
                   -1 :               0.00160583855179
                   +0 :              -0.00037744502840
                   +1 :              -0.00071790289194
                3d
                   -2 :              -0.00005679574108
                   -1 :               0.00000352224944
                   +0 :              -0.00002560666175
                   +1 :               0.00012721957731
                   +2 :               0.00007784276092
              3 vec=    -2.802674      4.854973     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00031310403738
                2s
                   +0 :              -0.00298128875323
                3s
                   +0 :               0.00010296209438
                2p
                   -1 :              -0.00097472986623
                   +0 :               0.00143745029674
                   +1 :               0.00254977581870
                3p
                   -1 :              -0.00003742124641
                   +0 :               0.00100315202956
                   +1 :              -0.00037319284561
                3d
                   -2 :               0.00001638559140
                   -1 :              -0.00005099678897
                   +0 :              -0.00012661236979
                   +1 :              -0.00019768529704
                   +2 :              -0.00007536959668
              4 vec=     4.977489     -8.620664     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00011462997536
                2s
                   +0 :              -0.00098192130520
                3s
                   +0 :               0.00045918430169
                2p
                   -1 :               0.00054140779576
                   +0 :              -0.00019609127035
                   +1 :              -0.00034224388771
                3p
                   -1 :              -0.00053492450270
                   +0 :              -0.00004781272256
                   +1 :               0.00002089103127
                3d
                   -2 :              -0.00000582689857
                   -1 :               0.00007876384050
                   +0 :              -0.00000176262755
                   +1 :              -0.00000455510512
                   +2 :              -0.00005399347066
              5 vec=   -10.582837      0.363094     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00005253179222
                2s
                   +0 :              -0.00063726382289
                3s
                   +0 :               0.00008752505863
                2p
                   -1 :               0.00009262264521
                   +0 :               0.00002530706197
                   +1 :               0.00029726601683
                3p
                   -1 :               0.00000841084191
                   +0 :              -0.00007734039290
                   +1 :               0.00005241003516
                3d
                   -2 :              -0.00000677012537
                   -1 :              -0.00002426596364
                   +0 :               0.00001316932084
                   +1 :               0.00000896037197
                   +2 :              -0.00001363262189
              6 vec=     4.977489      9.346852     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00001157404172
                2s
                   +0 :              -0.00021251849011
                3s
                   +0 :               0.00000910396000
                2p
                   -1 :              -0.00016288982435
                   +0 :              -0.00024200885709
                   +1 :               0.00018363546355
                3p
                   -1 :               0.00004776701544
                   +0 :               0.00020391089096
                   +1 :              -0.00014158527451
                3d
                   -2 :               0.00000130211484
                   -1 :              -0.00000164012431
                   +0 :              -0.00004164228601
                   +1 :              -0.00000920330030
                   +2 :              -0.00002231445658
              7 vec=    -2.802674    -13.112543     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00003572653259
                2s
                   +0 :               0.00021892420928
                3s
                   +0 :              -0.00015823280843
                2p
                   -1 :              -0.00026663766173
                   +0 :              -0.00013180367097
                   +1 :               0.00011561316040
                3p
                   -1 :               0.00027865980391
                   +0 :               0.00013969027103
                   +1 :              -0.00003212684546
                3d
                   -2 :              -0.00001014196394
                   -1 :              -0.00001585950995
                   +0 :              -0.00000386144705
                   +1 :              -0.00000537681683
                   +2 :              -0.00000360065069
              8 vec=    12.757651     -4.128785     -8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00000635888845
                2s
                   +0 :              -0.00009316759131
                3s
                   +0 :               0.00001100336553
                2p
                   -1 :               0.00006079330355
                   +0 :               0.00009204870763
                   +1 :              -0.00022549506228
                3p
                   -1 :              -0.00003706071598
                   +0 :              -0.00004871266671
                   +1 :               0.00010877112295
                3d
                   -2 :              -0.00000381766996
                   -1 :              -0.00000479448266
                   +0 :               0.00001032886538
                   +1 :              -0.00000123047102
                   +2 :               0.00000278022728
              9 vec=   -10.582837     -8.620664     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00000435060868
                2s
                   +0 :              -0.00002923407213
                3s
                   +0 :               0.00000816164163
                2p
                   -1 :              -0.00006150586101
                   +0 :              -0.00002612425670
                   +1 :               0.00008484170750
                3p
                   -1 :               0.00006539598344
                   +0 :               0.00002528600886
                   +1 :              -0.00007910720940
                3d
                   -2 :              -0.00000213134911
                   -1 :               0.00000098271707
                   +0 :              -0.00000207011521
                   +1 :              -0.00000359476612
                   +2 :               0.00000564021626
             10 vec=    12.757651      4.854973     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00002572356244
                2s
                   +0 :               0.00014845712335
                3s
                   +0 :              -0.00010113920531
                2p
                   -1 :               0.00001211929865
                   +0 :               0.00007071878936
                   +1 :              -0.00002298256814
                3p
                   -1 :               0.00002405628634
                   +0 :              -0.00005973299745
                   +1 :              -0.00005700719339
                3d
                   -2 :               0.00000192983704
                   -1 :              -0.00000310799402
                   +0 :              -0.00000321071052
                   +1 :              -0.00001262099718
                   +2 :              -0.00000710237349
             11 vec=   -10.582837      9.346852     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000172917657
                2s
                   +0 :              -0.00001223411928
                3s
                   +0 :              -0.00002432636963
                2p
                   -1 :              -0.00002364366817
                   +0 :              -0.00013588881704
                   +1 :               0.00005472291342
                3p
                   -1 :              -0.00003132955555
                   +0 :               0.00012309404161
                   +1 :              -0.00000586944260
                3d
                   -2 :               0.00000124455340
                   -1 :               0.00000716568716
                   +0 :              -0.00000726136461
                   +1 :              -0.00000050499460
                   +2 :               0.00000297179550
             12 vec=    -2.802674     13.838731     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000809324218
                2s
                   +0 :              -0.00006820043370
                3s
                   +0 :              -0.00000717174309
                2p
                   -1 :              -0.00008654732983
                   +0 :              -0.00005212391367
                   +1 :               0.00000276581311
                3p
                   -1 :               0.00002804207433
                   +0 :               0.00005414874644
                   +1 :               0.00001436496009
                3d
                   -2 :               0.00000569197567
                   -1 :               0.00000163394643
                   +0 :               0.00000093382332
                   +1 :               0.00000182431917
                   +2 :              -0.00000006277648
             13 vec=    -2.802674     -4.128785     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00005371331565
                2s
                   +0 :               0.00042486407671
                3s
                   +0 :              -0.00013344678593
                2p
                   -1 :              -0.00017180940820
                   +0 :               0.00029726470853
                   +1 :              -0.00008608890849
                3p
                   -1 :               0.00015692106881
                   +0 :              -0.00014045039191
                   +1 :               0.00001584931735
                3d
                   -2 :               0.00000100278397
                   -1 :               0.00001157761842
                   +0 :              -0.00000190896158
                   +1 :              -0.00000601698679
                   +2 :               0.00000124864137
             14 vec=     4.977489      0.363094     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00001870307094
                2s
                   +0 :               0.00017604435998
                3s
                   +0 :              -0.00004612722114
                2p
                   -1 :              -0.00013793460350
                   +0 :               0.00018295413466
                   +1 :               0.00008009574781
                3p
                   -1 :               0.00005627596207
                   +0 :              -0.00006380363858
                   +1 :              -0.00005262091473
                3d
                   -2 :              -0.00000168139020
                   -1 :              -0.00000299919666
                   +0 :              -0.00000161317796
                   +1 :              -0.00000629746238
                   +2 :              -0.00000799864745
             15 vec=    -2.802674      4.854973     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00001383191055
                2s
                   +0 :               0.00013443117909
                3s
                   +0 :               0.00000528898887
                2p
                   -1 :               0.00002441151709
                   +0 :               0.00017845851122
                   +1 :              -0.00013574709739
                3p
                   -1 :               0.00001495847862
                   +0 :              -0.00005834681004
                   +1 :               0.00014857479451
                3d
                   -2 :               0.00001144144624
                   -1 :               0.00000665366181
                   +0 :               0.00000863351320
                   +1 :               0.00001283134797
                   +2 :              -0.00000007056913
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 20)  npairs=  14
              1 vec=     0.209286      0.363094     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00037069943259
                2s
                   +0 :              -0.00059512507350
                3s
                   +0 :               0.00134501107200
                2p
                   -1 :               0.00066631880073
                   +0 :               0.00396671515574
                   +1 :              -0.00227144735823
                3p
                   -1 :              -0.00028241540515
                   +0 :              -0.00374182815605
                   +1 :               0.00129075848212
                3d
                   -2 :              -0.00010809537977
                   -1 :              -0.00004918855100
                   +0 :               0.00075988249077
                   +1 :               0.00013454647808
                   +2 :              -0.00004588341713
              2 vec=     0.209286     -8.620664     -8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00024658689751
                2s
                   +0 :               0.00103523252311
                3s
                   +0 :              -0.00084501746048
                2p
                   -1 :               0.00149329996159
                   +0 :              -0.00124458433995
                   +1 :               0.00058440529619
                3p
                   -1 :              -0.00080733795633
                   +0 :               0.00094171079405
                   +1 :              -0.00050060107088
                3d
                   -2 :              -0.00000551662945
                   -1 :               0.00003519505650
                   +0 :              -0.00004854570874
                   +1 :              -0.00002838334933
                   +2 :              -0.00004886779152
              3 vec=    -7.570876     -4.128785     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00005272392139
                2s
                   +0 :               0.00012601761512
                3s
                   +0 :              -0.00014755429602
                2p
                   -1 :               0.00055723982676
                   +0 :               0.00053727723699
                   +1 :               0.00031154587714
                3p
                   -1 :              -0.00037968186083
                   +0 :              -0.00040861797931
                   +1 :              -0.00009997840057
                3d
                   -2 :               0.00003937669215
                   -1 :               0.00004529597903
                   +0 :               0.00004282620579
                   +1 :              -0.00001176226544
                   +2 :              -0.00002881734063
              4 vec=     7.989449     -4.128785     -8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00006195415889
                2s
                   +0 :              -0.00046584110989
                3s
                   +0 :               0.00026767822914
                2p
                   -1 :               0.00012235558069
                   +0 :              -0.00014296433202
                   +1 :              -0.00088533138502
                3p
                   -1 :               0.00009735870486
                   +0 :               0.00005322207187
                   +1 :               0.00046756309199
                3d
                   -2 :              -0.00003488855812
                   -1 :               0.00000289177497
                   +0 :              -0.00002195081854
                   +1 :              -0.00001676871160
                   +2 :               0.00001203828733
              5 vec=    -7.570876      4.854973     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00001417725275
                2s
                   +0 :              -0.00046774560790
                3s
                   +0 :              -0.00013308124896
                2p
                   -1 :              -0.00015459824254
                   +0 :              -0.00049330138762
                   +1 :               0.00014423139196
                3p
                   -1 :              -0.00009242736328
                   +0 :               0.00013387959950
                   +1 :               0.00022973997157
                3d
                   -2 :               0.00001969109042
                   -1 :               0.00000038808479
                   +0 :               0.00003903639497
                   +1 :              -0.00002143305714
                   +2 :              -0.00002073923858
              6 vec=     7.989449      4.854973     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00001320685083
                2s
                   +0 :              -0.00059807386169
                3s
                   +0 :               0.00004516728952
                2p
                   -1 :              -0.00040041414670
                   +0 :               0.00061893752145
                   +1 :              -0.00082489387799
                3p
                   -1 :               0.00009200549758
                   +0 :              -0.00060577472652
                   +1 :               0.00037208524375
                3d
                   -2 :              -0.00003236066273
                   -1 :              -0.00000439377994
                   +0 :               0.00001264971833
                   +1 :              -0.00000692791935
                   +2 :               0.00002207256519
              7 vec=     0.209286      9.346852     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00003101355090
                2s
                   +0 :              -0.00031870044742
                3s
                   +0 :               0.00006351751371
                2p
                   -1 :              -0.00082783239701
                   +0 :              -0.00035382240695
                   +1 :               0.00030074571789
                3p
                   -1 :               0.00042995123004
                   +0 :               0.00041599979914
                   +1 :              -0.00026726484863
                3d
                   -2 :              -0.00000039330064
                   -1 :               0.00001691930954
                   +0 :              -0.00006275032755
                   +1 :              -0.00001609031660
                   +2 :              -0.00003578105123
              8 vec=     0.209286      0.363094     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001783980388
                2s
                   +0 :               0.00013232064519
                3s
                   +0 :              -0.00002566177211
                2p
                   -1 :              -0.00002802993353
                   +0 :               0.00011285893289
                   +1 :               0.00004024976871
                3p
                   -1 :               0.00002663497303
                   +0 :              -0.00000841439755
                   +1 :              -0.00003614973773
                3d
                   -2 :              -0.00001155725651
                   -1 :              -0.00000070838844
                   +0 :               0.00000553631585
                   +1 :              -0.00000048664224
                   +2 :              -0.00000620233849
              9 vec=    -7.570876    -13.112543     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000742247301
                2s
                   +0 :               0.00004685052764
                3s
                   +0 :              -0.00005450562901
                2p
                   -1 :               0.00007453462445
                   +0 :               0.00007030988922
                   +1 :              -0.00000877453016
                3p
                   -1 :              -0.00002774161450
                   +0 :              -0.00004995896582
                   +1 :               0.00003371339409
                3d
                   -2 :              -0.00000492469734
                   -1 :               0.00000610736912
                   +0 :               0.00000816486261
                   +1 :              -0.00000144707359
                   +2 :              -0.00000059661175
             10 vec=     7.989449    -13.112543     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000437478633
                2s
                   +0 :              -0.00004709927107
                3s
                   +0 :               0.00000713110535
                2p
                   -1 :               0.00004741566132
                   +0 :               0.00002425033451
                   +1 :               0.00008561633897
                3p
                   -1 :               0.00000036298037
                   +0 :               0.00000812731326
                   +1 :              -0.00008587413334
                3d
                   -2 :               0.00000587038493
                   -1 :              -0.00000634935671
                   +0 :               0.00000564217677
                   +1 :               0.00000286833120
                   +2 :              -0.00000091204979
             11 vec=   -15.351039      0.363094     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00001431434384
                2s
                   +0 :              -0.00012987553232
                3s
                   +0 :               0.00002383969928
                2p
                   -1 :               0.00001493700913
                   +0 :               0.00001099318032
                   +1 :               0.00015257860322
                3p
                   -1 :              -0.00002734512762
                   +0 :               0.00002636106521
                   +1 :              -0.00005143777865
                3d
                   -2 :               0.00000478096917
                   -1 :               0.00000114339429
                   +0 :              -0.00000101283624
                   +1 :              -0.00000166624528
                   +2 :              -0.00000072401419
             12 vec=    15.769612      0.363094     -8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00001285752520
                2s
                   +0 :              -0.00009136898853
                3s
                   +0 :               0.00002191227819
                2p
                   -1 :               0.00001542455098
                   +0 :               0.00002310489887
                   +1 :              -0.00001806364081
                3p
                   -1 :              -0.00003868710065
                   +0 :               0.00002408654680
                   +1 :              -0.00001413205637
                3d
                   -2 :              -0.00000153816927
                   -1 :               0.00000177188721
                   +0 :              -0.00000195855330
                   +1 :              -0.00000035107597
                   +2 :              -0.00000108391623
             13 vec=    -7.570876     13.838731     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000161718654
                2s
                   +0 :              -0.00005169011846
                3s
                   +0 :              -0.00001948238778
                2p
                   -1 :              -0.00002730020200
                   +0 :               0.00003676347341
                   +1 :               0.00001965687863
                3p
                   -1 :              -0.00002575058446
                   +0 :               0.00000706414027
                   +1 :               0.00002513206227
                3d
                   -2 :               0.00000627274850
                   -1 :               0.00000398212000
                   +0 :              -0.00000326965675
                   +1 :              -0.00000818655913
                   +2 :              -0.00000207968424
             14 vec=     7.989449     13.838731     -8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00000320981445
                2s
                   +0 :              -0.00000768251395
                3s
                   +0 :              -0.00001211106459
                2p
                   -1 :               0.00002374724228
                   +0 :               0.00004821460938
                   +1 :              -0.00002866676917
                3p
                   -1 :              -0.00003834366837
                   +0 :              -0.00003555935550
                   +1 :               0.00000315267499
                3d
                   -2 :               0.00000026045838
                   -1 :              -0.00000013459261
                   +0 :               0.00000157663704
                   +1 :              -0.00000319324693
                   +2 :              -0.00000366090827
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 21)  npairs=  15
              1 vec=     2.593388     -4.491280     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00033387889269
                2s
                   +0 :              -0.00330347963705
                3s
                   +0 :               0.00056357152417
                2p
                   -1 :               0.00227327416082
                   +0 :               0.00244326708857
                   +1 :               0.00116473837724
                3p
                   -1 :               0.00013598236589
                   +0 :              -0.00052621703471
                   +1 :               0.00000871064224
                3d
                   -2 :              -0.00007474142830
                   -1 :              -0.00017256510554
                   +0 :              -0.00000034195454
                   +1 :              -0.00007298636459
                   +2 :               0.00008109497948
              2 vec=    -5.186775      0.000599     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00060718137929
                2s
                   +0 :              -0.00590006426205
                3s
                   +0 :               0.00094303461272
                2p
                   -1 :              -0.00287600280828
                   +0 :               0.00754773062414
                   +1 :               0.00351534128707
                3p
                   -1 :               0.00077157476332
                   +0 :              -0.00141626419892
                   +1 :              -0.00047826196884
                3d
                   -2 :               0.00019263861237
                   -1 :               0.00013968767066
                   +0 :              -0.00019723194567
                   +1 :              -0.00027305006980
                   +2 :              -0.00004691061565
              3 vec=     2.593388      4.492478     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00019419916383
                2s
                   +0 :              -0.00166853271188
                3s
                   +0 :              -0.00010474122484
                2p
                   -1 :               0.00162953652940
                   +0 :               0.00058385581615
                   +1 :              -0.00149459113467
                3p
                   -1 :              -0.00160246311579
                   +0 :               0.00103567227032
                   +1 :              -0.00033675446788
                3d
                   -2 :              -0.00002121662768
                   -1 :               0.00008509179191
                   +0 :              -0.00004974526175
                   +1 :               0.00022687547582
                   +2 :              -0.00004403642799
              4 vec=    -5.186775     -8.983159     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00001293843529
                2s
                   +0 :              -0.00005656610044
                3s
                   +0 :              -0.00002974430938
                2p
                   -1 :               0.00051785632525
                   +0 :              -0.00039590499627
                   +1 :              -0.00018967207357
                3p
                   -1 :              -0.00045828822267
                   +0 :               0.00018577150907
                   +1 :               0.00035315157024
                3d
                   -2 :               0.00002742654754
                   -1 :               0.00003368734286
                   +0 :              -0.00002848706865
                   +1 :              -0.00000964550153
                   +2 :              -0.00002461603575
              5 vec=    10.373550      0.000599     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000563207789
                2s
                   +0 :              -0.00011598038120
                3s
                   +0 :              -0.00006757311183
                2p
                   -1 :               0.00027652522013
                   +0 :              -0.00040346704316
                   +1 :              -0.00020325580823
                3p
                   -1 :              -0.00012500478831
                   +0 :               0.00036428308682
                   +1 :               0.00013789816718
                3d
                   -2 :              -0.00000169015882
                   -1 :               0.00002190076485
                   +0 :              -0.00003143268877
                   +1 :               0.00000445738273
                   +2 :               0.00000903445941
              6 vec=    -5.186775      8.984357     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00001769631503
                2s
                   +0 :              -0.00044831060604
                3s
                   +0 :               0.00005464671773
                2p
                   -1 :              -0.00039365045884
                   +0 :              -0.00038768504109
                   +1 :              -0.00014432807991
                3p
                   -1 :               0.00008533121447
                   +0 :               0.00014276886305
                   +1 :               0.00013966703716
                3d
                   -2 :               0.00002274993789
                   -1 :              -0.00001783172774
                   +0 :               0.00003437399516
                   +1 :              -0.00001242428467
                   +2 :               0.00001642895049
              7 vec=     2.593388    -13.475038     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00003145271553
                2s
                   +0 :               0.00018388943222
                3s
                   +0 :              -0.00012051623454
                2p
                   -1 :              -0.00023626117812
                   +0 :              -0.00002139566358
                   +1 :              -0.00002887013553
                3p
                   -1 :               0.00025606667597
                   +0 :               0.00002454601829
                   +1 :              -0.00003457812986
                3d
                   -2 :               0.00001600183212
                   -1 :              -0.00001040697746
                   +0 :               0.00002542939824
                   +1 :               0.00001121776246
                   +2 :               0.00000975194932
              8 vec=    10.373550     -8.983159     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001245939628
                2s
                   +0 :               0.00004064463655
                3s
                   +0 :              -0.00002796148673
                2p
                   -1 :              -0.00001302008976
                   +0 :               0.00008923016828
                   +1 :               0.00005485429102
                3p
                   -1 :               0.00004825346836
                   +0 :              -0.00006812801992
                   +1 :              -0.00006590285959
                3d
                   -2 :              -0.00000196941284
                   -1 :               0.00000623258276
                   +0 :               0.00000023296966
                   +1 :              -0.00000352004854
                   +2 :               0.00000116370043
              9 vec=   -12.966938     -4.491280     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000533802967
                2s
                   +0 :              -0.00003098421643
                3s
                   +0 :               0.00001049865998
                2p
                   -1 :               0.00010635961987
                   +0 :              -0.00003223933681
                   +1 :               0.00003495342578
                3p
                   -1 :              -0.00007658136270
                   +0 :               0.00001619834644
                   +1 :              -0.00001126630371
                3d
                   -2 :               0.00000030698118
                   -1 :               0.00000482331258
                   +0 :               0.00000094691906
                   +1 :               0.00000268315873
                   +2 :              -0.00000059634365
             10 vec=   -12.966938      4.492478     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000321894804
                2s
                   +0 :               0.00001974765633
                3s
                   +0 :              -0.00003592074735
                2p
                   -1 :              -0.00001384449280
                   +0 :              -0.00008112360579
                   +1 :               0.00010763380507
                3p
                   -1 :               0.00001503501960
                   +0 :               0.00005587527566
                   +1 :              -0.00003755856712
                3d
                   -2 :               0.00000269221995
                   -1 :              -0.00000374558277
                   +0 :              -0.00001091485701
                   +1 :              -0.00000184426923
                   +2 :              -0.00000212763368
             11 vec=    10.373550      8.984357     -8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00001875774713
                2s
                   +0 :              -0.00019090261406
                3s
                   +0 :               0.00005946473708
                2p
                   -1 :              -0.00003939244704
                   +0 :               0.00015427484713
                   +1 :              -0.00017473302254
                3p
                   -1 :              -0.00005665263306
                   +0 :              -0.00011351620060
                   +1 :               0.00010554113515
                3d
                   -2 :               0.00000772481871
                   -1 :              -0.00001695950870
                   +0 :               0.00000720801531
                   +1 :              -0.00001270169965
                   +2 :               0.00002102994943
             12 vec=     2.593388     13.476236     -8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00000494052882
                2s
                   +0 :              -0.00008669496097
                3s
                   +0 :               0.00000602953890
                2p
                   -1 :              -0.00017951662466
                   +0 :               0.00001946042471
                   +1 :              -0.00016100263747
                3p
                   -1 :               0.00010500221448
                   +0 :               0.00000156930351
                   +1 :               0.00011332243882
                3d
                   -2 :               0.00000627121970
                   -1 :               0.00000229113819
                   +0 :               0.00000081447858
                   +1 :              -0.00000127623983
                   +2 :              -0.00000089210418
             13 vec=     2.593388     -4.491280     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000517045950
                2s
                   +0 :               0.00009786588342
                3s
                   +0 :               0.00000441343795
                2p
                   -1 :               0.00006646320535
                   +0 :               0.00009503030249
                   +1 :               0.00011457657121
                3p
                   -1 :              -0.00007893948667
                   +0 :               0.00000805013271
                   +1 :               0.00001083083326
                3d
                   -2 :               0.00000298337092
                   -1 :              -0.00000523277101
                   +0 :              -0.00000070092489
                   +1 :               0.00001326688047
                   +2 :               0.00000103787426
             14 vec=    -5.186775      0.000599     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00003705607894
                2s
                   +0 :               0.00027848001320
                3s
                   +0 :              -0.00009659254298
                2p
                   -1 :              -0.00000584835452
                   +0 :               0.00025670767676
                   +1 :               0.00007735501488
                3p
                   -1 :              -0.00000765034483
                   +0 :              -0.00016631796534
                   +1 :              -0.00008401075182
                3d
                   -2 :               0.00000198631206
                   -1 :              -0.00000460673829
                   +0 :              -0.00000772873561
                   +1 :              -0.00000731509285
                   +2 :               0.00000946695698
             15 vec=     2.593388      4.492478     16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00002941962028
                2s
                   +0 :               0.00026019469708
                3s
                   +0 :              -0.00004693386137
                2p
                   -1 :               0.00009815954749
                   +0 :               0.00019745063316
                   +1 :               0.00004562522937
                3p
                   -1 :              -0.00006739935064
                   +0 :              -0.00004115047631
                   +1 :              -0.00010344839009
                3d
                   -2 :              -0.00000491387589
                   -1 :               0.00000021753589
                   +0 :               0.00000013265226
                   +1 :              -0.00001472406077
                   +2 :               0.00000321889883
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 22)  npairs=  14
              1 vec=     0.209805      3.115717      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00191780913781
                2s
                   +0 :               0.04938677655207
                3s
                   +0 :              -0.00225401443588
                2p
                   -1 :               0.02186075618011
                   +0 :               0.02379335619954
                   +1 :               0.00384383389376
                3p
                   -1 :               0.00081299814275
                   +0 :               0.00048864623964
                   +1 :              -0.00139981728833
                3d
                   -2 :               0.00069338239102
                   -1 :               0.00297330482594
                   +0 :               0.00094762571839
                   +1 :               0.00092313996617
                   +2 :              -0.00137935813623
              2 vec=     0.209805     -5.868041      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00239569237277
                2s
                   +0 :               0.01718084265504
                3s
                   +0 :              -0.00798202928926
                2p
                   -1 :              -0.01499820382501
                   +0 :               0.00537216737252
                   +1 :               0.00197252385870
                3p
                   -1 :               0.01050273886076
                   +0 :              -0.00433246699370
                   +1 :              -0.00115509234950
                3d
                   -2 :               0.00006504620964
                   -1 :               0.00051298876894
                   +0 :               0.00040493415259
                   +1 :               0.00002803409709
                   +2 :               0.00078180721356
              3 vec=    -7.570358     -1.376162      4.091257   |vec|=    8.714501
                1s
                   +0 :              -0.00018432869457
                2s
                   +0 :               0.00105851560978
                3s
                   +0 :              -0.00030281808223
                2p
                   -1 :               0.00160331864070
                   +0 :              -0.00273631280563
                   +1 :              -0.00542904739260
                3p
                   -1 :              -0.00069448780760
                   +0 :               0.00046917750433
                   +1 :               0.00198527530225
                3d
                   -2 :               0.00001390209855
                   -1 :              -0.00001410555329
                   +0 :              -0.00004654927230
                   +1 :               0.00012688571712
                   +2 :               0.00003170932770
              4 vec=     7.989968     -1.376162      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00009559095956
                2s
                   +0 :               0.00064624613994
                3s
                   +0 :               0.00002396991303
                2p
                   -1 :               0.00109533888673
                   +0 :              -0.00091055090282
                   +1 :              -0.00023926200639
                3p
                   -1 :              -0.00092903435866
                   +0 :               0.00004461748899
                   +1 :               0.00154164546282
                3d
                   -2 :              -0.00004181281477
                   -1 :               0.00004198632664
                   +0 :              -0.00011541770131
                   +1 :              -0.00009436954119
                   +2 :               0.00029567289822
              5 vec=    -7.570358      7.607596      4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00005518644023
                2s
                   +0 :               0.00059639359306
                3s
                   +0 :              -0.00024685283157
                2p
                   -1 :               0.00078198830697
                   +0 :              -0.00022672559026
                   +1 :              -0.00023479592568
                3p
                   -1 :              -0.00058445512825
                   +0 :               0.00019372081968
                   +1 :               0.00004339703404
                3d
                   -2 :               0.00003915305650
                   -1 :               0.00000713203503
                   +0 :               0.00002279729806
                   +1 :              -0.00003005026175
                   +2 :               0.00001643112394
              6 vec=     7.989968      7.607596      4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00002392887133
                2s
                   +0 :              -0.00006643248232
                3s
                   +0 :               0.00006635467265
                2p
                   -1 :              -0.00005399165627
                   +0 :              -0.00010493613040
                   +1 :               0.00015339984772
                3p
                   -1 :               0.00003317855634
                   +0 :              -0.00003915383067
                   +1 :              -0.00015795059172
                3d
                   -2 :              -0.00004710222962
                   -1 :               0.00000005030389
                   +0 :               0.00000098985266
                   +1 :              -0.00003021311777
                   +2 :               0.00003215656030
              7 vec=     0.209805     12.099475      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00000840699987
                2s
                   +0 :               0.00012458163772
                3s
                   +0 :              -0.00000613879838
                2p
                   -1 :              -0.00006424043555
                   +0 :               0.00026866285944
                   +1 :               0.00002996834398
                3p
                   -1 :               0.00011769806545
                   +0 :              -0.00014681953538
                   +1 :              -0.00010862193311
                3d
                   -2 :              -0.00001175427706
                   -1 :              -0.00000986488466
                   +0 :              -0.00000024684413
                   +1 :               0.00002523154680
                   +2 :               0.00002453054852
              8 vec=    -7.570358    -10.359920      4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00002341081975
                2s
                   +0 :               0.00008870115922
                3s
                   +0 :               0.00018585300928
                2p
                   -1 :              -0.00011076006999
                   +0 :               0.00011904865243
                   +1 :              -0.00011043899319
                3p
                   -1 :              -0.00023844339185
                   +0 :              -0.00006100739324
                   +1 :              -0.00013533492309
                3d
                   -2 :               0.00003003515907
                   -1 :               0.00002346178783
                   +0 :              -0.00003104828929
                   +1 :               0.00000230051851
                   +2 :              -0.00002306978460
              9 vec=     7.989968    -10.359920      4.091257   |vec|=   13.707878
                1s
                   +0 :              -0.00002541356163
                2s
                   +0 :               0.00041047541071
                3s
                   +0 :               0.00002751525724
                2p
                   -1 :              -0.00007747973381
                   +0 :              -0.00003116590046
                   +1 :               0.00016239566775
                3p
                   -1 :              -0.00010501458944
                   +0 :               0.00001892575578
                   +1 :               0.00000716726107
                3d
                   -2 :              -0.00001476695752
                   -1 :              -0.00000372928926
                   +0 :              -0.00001511903286
                   +1 :               0.00000665869592
                   +2 :              -0.00001624500560
             10 vec=     0.209805    -14.851799      4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00002691590433
                2s
                   +0 :               0.00019451601139
                3s
                   +0 :              -0.00001928939297
                2p
                   -1 :              -0.00019486660021
                   +0 :               0.00016264358018
                   +1 :              -0.00010661934743
                3p
                   -1 :               0.00007583077325
                   +0 :              -0.00014729204672
                   +1 :               0.00009719459179
                3d
                   -2 :               0.00000042855244
                   -1 :               0.00000667580450
                   +0 :              -0.00001748631244
                   +1 :              -0.00000989511064
                   +2 :              -0.00001228795193
             11 vec=   -15.350520      3.115717      4.091257   |vec|=   16.189026
                1s
                   +0 :               0.00000197920725
                2s
                   +0 :               0.00000799631382
                3s
                   +0 :               0.00003174966103
                2p
                   -1 :               0.00003196644983
                   +0 :               0.00005910176832
                   +1 :              -0.00010133956677
                3p
                   -1 :               0.00000863163158
                   +0 :              -0.00003872957183
                   +1 :               0.00003649887878
                3d
                   -2 :               0.00000227410579
                   -1 :               0.00000408370472
                   +0 :               0.00000001629721
                   +1 :              -0.00000267813605
                   +2 :              -0.00000821460589
             12 vec=    15.770130      3.115717      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00001295909436
                2s
                   +0 :              -0.00007967962644
                3s
                   +0 :               0.00004319917823
                2p
                   -1 :               0.00003334097756
                   +0 :               0.00006023363437
                   +1 :              -0.00008971347026
                3p
                   -1 :              -0.00001401512000
                   +0 :              -0.00006002407233
                   +1 :               0.00004565415079
                3d
                   -2 :               0.00000308517197
                   -1 :              -0.00000294992718
                   +0 :              -0.00000727333254
                   +1 :              -0.00000005693792
                   +2 :              -0.00000070111525
             13 vec=   -15.350520     -5.868041      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00000584406385
                2s
                   +0 :               0.00004890397397
                3s
                   +0 :              -0.00001570348860
                2p
                   -1 :               0.00003410118380
                   +0 :              -0.00011443801788
                   +1 :              -0.00005024565482
                3p
                   -1 :              -0.00004629565797
                   +0 :               0.00009027226406
                   +1 :               0.00001623712324
                3d
                   -2 :              -0.00000037616203
                   -1 :               0.00000037878617
                   +0 :              -0.00000051339298
                   +1 :              -0.00000034368130
                   +2 :               0.00000078549294
             14 vec=    15.770130     -5.868041      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000465661374
                2s
                   +0 :               0.00003449163745
                3s
                   +0 :              -0.00001277924862
                2p
                   -1 :              -0.00013931353116
                   +0 :               0.00006922962050
                   +1 :              -0.00000009315439
                3p
                   -1 :               0.00004249631485
                   +0 :              -0.00005141388961
                   +1 :              -0.00001634652328
                3d
                   -2 :              -0.00000262592669
                   -1 :               0.00000406101426
                   +0 :              -0.00000562844994
                   +1 :               0.00000568844720
                   +2 :              -0.00000306967806
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 23)  npairs=  14
              1 vec=    -2.803193     -1.376162      4.091257   |vec|=    5.146853
                1s
                   +0 :              -0.00202642942696
                2s
                   +0 :               0.05824204232121
                3s
                   +0 :              -0.00268542651494
                2p
                   -1 :              -0.01213549722732
                   +0 :               0.02329216087947
                   +1 :              -0.02012037317107
                3p
                   -1 :               0.00137354470051
                   +0 :               0.00318488291925
                   +1 :              -0.00405150666524
                3d
                   -2 :               0.00098285951323
                   -1 :              -0.00215419838676
                   +0 :               0.00148079053576
                   +1 :              -0.00235028221263
                   +2 :               0.00071446161874
              2 vec=     4.976970      3.115717      4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00008305396999
                2s
                   +0 :              -0.00168705006104
                3s
                   +0 :               0.00054602657001
                2p
                   -1 :              -0.00095898225210
                   +0 :               0.00083620543532
                   +1 :               0.00029150352678
                3p
                   -1 :               0.00134766738878
                   +0 :              -0.00085098752261
                   +1 :               0.00044109158803
                3d
                   -2 :              -0.00004083013729
                   -1 :              -0.00006888073735
                   +0 :              -0.00032637811074
                   +1 :              -0.00017722778391
                   +2 :              -0.00002639633820
              3 vec=     4.976970     -5.868041      4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00011486847038
                2s
                   +0 :              -0.00180583988783
                3s
                   +0 :               0.00052716362229
                2p
                   -1 :              -0.00113173077389
                   +0 :              -0.00346904131429
                   +1 :              -0.00184348181330
                3p
                   -1 :               0.00080568371359
                   +0 :               0.00145053405222
                   +1 :               0.00104843302307
                3d
                   -2 :              -0.00010005126864
                   -1 :               0.00012287025123
                   +0 :              -0.00012979994604
                   +1 :              -0.00001731913085
                   +2 :              -0.00013248953665
              4 vec=    -2.803193      7.607596      4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00013138571375
                2s
                   +0 :              -0.00086496900469
                3s
                   +0 :               0.00054359175968
                2p
                   -1 :               0.00225459515323
                   +0 :              -0.00112615907127
                   +1 :              -0.00062613734149
                3p
                   -1 :              -0.00165250576588
                   +0 :               0.00004091269660
                   +1 :              -0.00043470190020
                3d
                   -2 :              -0.00003404557504
                   -1 :              -0.00005636514617
                   +0 :               0.00005047746361
                   +1 :               0.00004518767871
                   +2 :               0.00003732312096
              5 vec=    -2.803193    -10.359920      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00016929690238
                2s
                   +0 :              -0.00088403558365
                3s
                   +0 :               0.00063077651365
                2p
                   -1 :               0.00026883947980
                   +0 :               0.00008900433246
                   +1 :               0.00060398166859
                3p
                   -1 :              -0.00029737449559
                   +0 :              -0.00022172655539
                   +1 :              -0.00055218011069
                3d
                   -2 :               0.00007412762059
                   -1 :               0.00002598287987
                   +0 :              -0.00006270310724
                   +1 :               0.00001045159160
                   +2 :              -0.00002166042788
              6 vec=   -10.583355      3.115717      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00004389358239
                2s
                   +0 :               0.00044183533307
                3s
                   +0 :              -0.00011964394233
                2p
                   -1 :               0.00034846731704
                   +0 :              -0.00004865105571
                   +1 :              -0.00028653911522
                3p
                   -1 :              -0.00015299892904
                   +0 :               0.00002329948535
                   +1 :               0.00012698462904
                3d
                   -2 :              -0.00000026521911
                   -1 :               0.00002328686463
                   +0 :              -0.00000673041239
                   +1 :               0.00000222399968
                   +2 :              -0.00000637482471
              7 vec=   -10.583355     -5.868041      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00002001942132
                2s
                   +0 :              -0.00000178968658
                3s
                   +0 :               0.00013094346818
                2p
                   -1 :               0.00000832940890
                   +0 :               0.00012065108024
                   +1 :               0.00018631793265
                3p
                   -1 :              -0.00005544454992
                   +0 :               0.00000009706838
                   +1 :              -0.00015556259140
                3d
                   -2 :              -0.00002365521370
                   -1 :              -0.00002341649307
                   +0 :              -0.00003494125628
                   +1 :               0.00000918852596
                   +2 :               0.00000772485696
              8 vec=    12.757133     -1.376162      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00015797695589
                2s
                   +0 :               0.00143032572543
                3s
                   +0 :              -0.00037713817259
                2p
                   -1 :               0.00021979652055
                   +0 :               0.00002578939385
                   +1 :               0.00098729644289
                3p
                   -1 :              -0.00015414180647
                   +0 :               0.00000682078629
                   +1 :              -0.00040603294020
                3d
                   -2 :              -0.00003137620356
                   -1 :               0.00001459303471
                   +0 :              -0.00002048548683
                   +1 :               0.00002120926572
                   +2 :               0.00002752120287
              9 vec=     4.976970     12.099475      4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00004870411262
                2s
                   +0 :              -0.00006626070707
                3s
                   +0 :               0.00020830741053
                2p
                   -1 :               0.00034886629120
                   +0 :               0.00002301706322
                   +1 :               0.00015561909427
                3p
                   -1 :              -0.00001607426776
                   +0 :              -0.00003827899292
                   +1 :               0.00003485965083
                3d
                   -2 :               0.00001797254161
                   -1 :              -0.00002323362554
                   +0 :              -0.00000059512224
                   +1 :              -0.00000145843448
                   +2 :              -0.00000181491687
             10 vec=    12.757133      7.607596      4.091257   |vec|=   15.406438
                1s
                   +0 :               0.00002071210717
                2s
                   +0 :              -0.00009387572557
                3s
                   +0 :               0.00007069777382
                2p
                   -1 :               0.00002669014851
                   +0 :               0.00004655861004
                   +1 :              -0.00007016452501
                3p
                   -1 :              -0.00003593090107
                   +0 :              -0.00006696171770
                   +1 :               0.00008899375049
                3d
                   -2 :               0.00000262647431
                   -1 :              -0.00000148677917
                   +0 :              -0.00000558588487
                   +1 :              -0.00000036451041
                   +2 :               0.00000444185236
             11 vec=     4.976970    -14.851799      4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00002276094549
                2s
                   +0 :               0.00017306675446
                3s
                   +0 :              -0.00004127620320
                2p
                   -1 :               0.00002240154135
                   +0 :              -0.00007230564753
                   +1 :              -0.00009721686078
                3p
                   -1 :              -0.00007681335458
                   +0 :               0.00005804788898
                   +1 :               0.00010319559489
                3d
                   -2 :              -0.00001979903419
                   -1 :              -0.00002089340196
                   +0 :              -0.00000399344737
                   +1 :               0.00000620476542
                   +2 :               0.00001169671120
             12 vec=   -10.583355     12.099475      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00001279488346
                2s
                   +0 :              -0.00007302205593
                3s
                   +0 :               0.00004979203330
                2p
                   -1 :              -0.00004014791935
                   +0 :              -0.00004695589125
                   +1 :               0.00009657521660
                3p
                   -1 :               0.00006540492507
                   +0 :               0.00002757570502
                   +1 :              -0.00010074512938
                3d
                   -2 :              -0.00000678621550
                   -1 :               0.00000137370219
                   +0 :              -0.00000534912653
                   +1 :              -0.00000045646392
                   +2 :              -0.00000091435732
             13 vec=    12.757133    -10.359920      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00000947262219
                2s
                   +0 :               0.00007001280548
                3s
                   +0 :              -0.00002704722354
                2p
                   -1 :               0.00010843204978
                   +0 :               0.00010971025190
                   +1 :               0.00008205747203
                3p
                   -1 :              -0.00008208858766
                   +0 :              -0.00007338685076
                   +1 :              -0.00001694584901
                3d
                   -2 :              -0.00000222520219
                   -1 :              -0.00000384967569
                   +0 :              -0.00000750396979
                   +1 :              -0.00000826714983
                   +2 :              -0.00000569668649
             14 vec=    -2.803193     16.591354      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00000447759230
                2s
                   +0 :               0.00003322541815
                3s
                   +0 :              -0.00000783845324
                2p
                   -1 :               0.00006715188783
                   +0 :              -0.00006736748870
                   +1 :              -0.00000356563752
                3p
                   -1 :              -0.00002439294532
                   +0 :               0.00003603175995
                   +1 :              -0.00001307184185
                3d
                   -2 :               0.00000156434865
                   -1 :               0.00000002090198
                   +0 :               0.00000058859081
                   +1 :               0.00000220763132
                   +2 :               0.00000054362786
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 24)  npairs=  14
              1 vec=     2.593388     -1.012769      4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00216420870876
                2s
                   +0 :               0.07593397834969
                3s
                   +0 :              -0.00405765128685
                2p
                   -1 :              -0.01377493848203
                   +0 :               0.04612826238898
                   +1 :               0.04116981164813
                3p
                   -1 :               0.00195656574048
                   +0 :              -0.00577341400258
                   +1 :              -0.00600839285689
                3d
                   -2 :              -0.00104860599389
                   -1 :              -0.00036626106009
                   +0 :               0.00097157939511
                   +1 :               0.00127694105044
                   +2 :               0.00155069269377
              2 vec=    -5.186775      3.479110      4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00029560798182
                2s
                   +0 :               0.00257216158106
                3s
                   +0 :              -0.00064080689976
                2p
                   -1 :              -0.00059575334799
                   +0 :              -0.00060059462410
                   +1 :              -0.00261820648813
                3p
                   -1 :               0.00136211397318
                   +0 :               0.00114780338746
                   +1 :               0.00097687852931
                3d
                   -2 :              -0.00004111375361
                   -1 :              -0.00003760605774
                   +0 :               0.00016242190698
                   +1 :               0.00011029142928
                   +2 :               0.00006495274538
              3 vec=    -5.186775     -5.504648      4.091257   |vec|=    8.598963
                1s
                   +0 :              -0.00026947139076
                2s
                   +0 :               0.00136329709759
                3s
                   +0 :              -0.00092320057221
                2p
                   -1 :              -0.00393015688503
                   +0 :              -0.00293657774381
                   +1 :              -0.00075598746413
                3p
                   -1 :               0.00152605295118
                   +0 :               0.00005347103468
                   +1 :               0.00139498847578
                3d
                   -2 :               0.00000900113054
                   -1 :               0.00015496483796
                   +0 :               0.00001619560258
                   +1 :               0.00022460008997
                   +2 :              -0.00018480343749
              4 vec=     2.593388      7.970989      4.091257   |vec|=    9.327417
                1s
                   +0 :              -0.00030844065619
                2s
                   +0 :               0.00217378970812
                3s
                   +0 :              -0.00079790131727
                2p
                   -1 :               0.00306445482308
                   +0 :               0.00001495883570
                   +1 :               0.00118344973259
                3p
                   -1 :              -0.00163727775895
                   +0 :              -0.00098353885096
                   +1 :              -0.00014524388131
                3d
                   -2 :               0.00007553981647
                   -1 :              -0.00013755296655
                   +0 :               0.00000719908883
                   +1 :              -0.00007690615068
                   +2 :               0.00005754512861
              5 vec=     2.593388     -9.996527      4.091257   |vec|=   11.108312
                1s
                   +0 :               0.00021731081719
                2s
                   +0 :              -0.00113536863503
                3s
                   +0 :               0.00060562362933
                2p
                   -1 :              -0.00064226544687
                   +0 :               0.00099060928051
                   +1 :               0.00140823296985
                3p
                   -1 :               0.00056367299965
                   +0 :              -0.00108640431970
                   +1 :              -0.00112307402548
                3d
                   -2 :               0.00006286858057
                   -1 :               0.00000899296195
                   +0 :               0.00007206089835
                   +1 :              -0.00001583889697
                   +2 :               0.00011588872860
              6 vec=    10.373550      3.479110      4.091257   |vec|=   11.681316
                1s
                   +0 :              -0.00010336749764
                2s
                   +0 :               0.00061586297817
                3s
                   +0 :              -0.00021795192611
                2p
                   -1 :               0.00059326850480
                   +0 :               0.00017149229833
                   +1 :               0.00021815117360
                3p
                   -1 :              -0.00052835959027
                   +0 :              -0.00025152273698
                   +1 :              -0.00033800726402
                3d
                   -2 :              -0.00000005358087
                   -1 :               0.00001771218980
                   +0 :               0.00000524145231
                   +1 :               0.00003092973105
                   +2 :              -0.00001587116030
              7 vec=    10.373550     -5.504648      4.091257   |vec|=   12.435838
                1s
                   +0 :              -0.00002911191867
                2s
                   +0 :               0.00030790351623
                3s
                   +0 :              -0.00013624694381
                2p
                   -1 :              -0.00069240146163
                   +0 :               0.00041341961692
                   +1 :              -0.00001775104599
                3p
                   -1 :               0.00057511054633
                   +0 :              -0.00007257098566
                   +1 :              -0.00028798763890
                3d
                   -2 :               0.00002659832506
                   -1 :              -0.00001183754661
                   +0 :               0.00003931123074
                   +1 :               0.00001755797308
                   +2 :              -0.00001904927475
              8 vec=   -12.966938     -1.012769      4.091257   |vec|=   13.634719
                1s
                   +0 :              -0.00003552374723
                2s
                   +0 :               0.00047241732972
                3s
                   +0 :               0.00001245446994
                2p
                   -1 :               0.00019989271178
                   +0 :              -0.00015324739580
                   +1 :              -0.00018457711689
                3p
                   -1 :              -0.00006896390330
                   +0 :               0.00012911760998
                   +1 :              -0.00013433256847
                3d
                   -2 :               0.00000629995104
                   -1 :              -0.00002669949244
                   +0 :               0.00000143699938
                   +1 :              -0.00002530548385
                   +2 :               0.00002551887153
              9 vec=    -5.186775     12.462868      4.091257   |vec|=   14.105463
                1s
                   +0 :              -0.00000564871195
                2s
                   +0 :               0.00010162603528
                3s
                   +0 :               0.00000753132982
                2p
                   -1 :              -0.00003896137184
                   +0 :              -0.00009728524866
                   +1 :              -0.00011287535039
                3p
                   -1 :               0.00008226856434
                   +0 :               0.00004213187027
                   +1 :               0.00003663745790
                3d
                   -2 :               0.00001346875881
                   -1 :               0.00001137741169
                   +0 :              -0.00000400533918
                   +1 :              -0.00001746772546
                   +2 :              -0.00001253874041
             10 vec=   -12.966938      7.970989      4.091257   |vec|=   15.761235
                1s
                   +0 :               0.00000903687907
                2s
                   +0 :              -0.00004146869586
                3s
                   +0 :               0.00002784123714
                2p
                   -1 :              -0.00008971851613
                   +0 :              -0.00000813084781
                   +1 :              -0.00000174087496
                3p
                   -1 :               0.00008500729115
                   +0 :              -0.00000003186546
                   +1 :               0.00001313806980
                3d
                   -2 :              -0.00000298933771
                   -1 :              -0.00000148292303
                   +0 :              -0.00000074588599
                   +1 :               0.00000850907051
                   +2 :              -0.00000406350170
             11 vec=    -5.186775    -14.488406      4.091257   |vec|=   15.923408
                1s
                   +0 :              -0.00003621198492
                2s
                   +0 :               0.00024424603705
                3s
                   +0 :              -0.00009951087813
                2p
                   -1 :              -0.00005446191020
                   +0 :               0.00012722295672
                   +1 :               0.00002591562681
                3p
                   -1 :              -0.00000124209108
                   +0 :              -0.00011793281965
                   +1 :              -0.00000914933091
                3d
                   -2 :              -0.00000177577637
                   -1 :               0.00001828728011
                   +0 :              -0.00001346077734
                   +1 :               0.00000856396161
                   +2 :              -0.00000672251610
             12 vec=    10.373550     12.462868      4.091257   |vec|=   16.723397
                1s
                   +0 :               0.00000056196336
                2s
                   +0 :               0.00000688101658
                3s
                   +0 :               0.00001692879876
                2p
                   -1 :               0.00004229585064
                   +0 :              -0.00003584749701
                   +1 :               0.00002112262214
                3p
                   -1 :              -0.00003043751006
                   +0 :               0.00000807621314
                   +1 :               0.00001007786666
                3d
                   -2 :               0.00000039293707
                   -1 :              -0.00000053514466
                   +0 :               0.00000100306745
                   +1 :               0.00000084056461
                   +2 :               0.00000013022211
             13 vec=   -12.966938     -9.996527      4.091257   |vec|=   16.876327
                1s
                   +0 :              -0.00000772634578
                2s
                   +0 :               0.00006805458203
                3s
                   +0 :              -0.00000053135953
                2p
                   -1 :               0.00003893140862
                   +0 :              -0.00005796914868
                   +1 :              -0.00000174606692
                3p
                   -1 :              -0.00003930322804
                   +0 :               0.00003995293732
                   +1 :              -0.00004550543602
                3d
                   -2 :               0.00000551883166
                   -1 :              -0.00000534378634
                   +0 :              -0.00000096834949
                   +1 :              -0.00000234204082
                   +2 :               0.00000454953916
             14 vec=     2.593388     16.954747      4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00000438860780
                2s
                   +0 :              -0.00001485083548
                3s
                   +0 :               0.00001826193763
                2p
                   -1 :               0.00002897551985
                   +0 :              -0.00003530715552
                   +1 :              -0.00005254707441
                3p
                   -1 :              -0.00001338330118
                   +0 :               0.00002458788239
                   +1 :               0.00002879369198
                3d
                   -2 :              -0.00000299615161
                   -1 :               0.00000135990867
                   +0 :              -0.00000017353989
                   +1 :               0.00000038994077
                   +2 :              -0.00000010344099
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 25)  npairs=  12
              1 vec=     2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00028986615688
                2s
                   +0 :              -0.00335062864011
                3s
                   +0 :               0.00042841315554
                2p
                   -1 :              -0.00079818691826
                   +0 :              -0.01043298309080
                   +1 :               0.00163770825211
                3p
                   -1 :               0.00217201627349
                   +0 :              -0.00367218592631
                   +1 :              -0.00261624077524
                3d
                   -2 :               0.00035893785525
                   -1 :               0.00172239862067
                   +0 :              -0.00000787364504
                   +1 :              -0.00115197708562
                   +2 :               0.00022633247666
              2 vec=    -5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00181390512008
                2s
                   +0 :               0.01169678225362
                3s
                   +0 :              -0.00532096168883
                2p
                   -1 :              -0.00022200442701
                   +0 :              -0.00016572425301
                   +1 :              -0.00786283647071
                3p
                   -1 :               0.00026120415551
                   +0 :              -0.00377671162402
                   +1 :               0.00453336029201
                3d
                   -2 :              -0.00032826309640
                   -1 :               0.00022012319521
                   +0 :               0.00023258380964
                   +1 :               0.00057061738289
                   +2 :              -0.00016313557174
              3 vec=     2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00146006494200
                2s
                   +0 :              -0.00824594440125
                3s
                   +0 :               0.00394806414393
                2p
                   -1 :              -0.00900733320181
                   +0 :              -0.00631918611239
                   +1 :               0.00042831287221
                3p
                   -1 :               0.00654609317521
                   +0 :               0.00151620075502
                   +1 :              -0.00053352400150
                3d
                   -2 :               0.00010776213724
                   -1 :              -0.00093867948481
                   +0 :              -0.00046866032454
                   +1 :              -0.00014652096725
                   +2 :              -0.00037529320621
              4 vec=    -5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00001880346886
                2s
                   +0 :               0.00028981240873
                3s
                   +0 :               0.00009825631397
                2p
                   -1 :              -0.00138139403412
                   +0 :              -0.00043106826389
                   +1 :               0.00021328597341
                3p
                   -1 :               0.00091813866029
                   +0 :              -0.00004803360072
                   +1 :              -0.00037991500918
                3d
                   -2 :              -0.00002161488263
                   -1 :               0.00001341368856
                   +0 :              -0.00002668219146
                   +1 :               0.00000895144195
                   +2 :               0.00008811677052
              5 vec=    10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00010222111826
                2s
                   +0 :              -0.00009049760816
                3s
                   +0 :              -0.00039050035993
                2p
                   -1 :               0.00021220850251
                   +0 :              -0.00003062479120
                   +1 :              -0.00153009859617
                3p
                   -1 :              -0.00015215975244
                   +0 :              -0.00038163153085
                   +1 :               0.00062395133827
                3d
                   -2 :              -0.00006348967296
                   -1 :              -0.00005471098829
                   +0 :              -0.00011277602378
                   +1 :              -0.00009923489544
                   +2 :               0.00000171635908
              6 vec=    -5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00018460805887
                2s
                   +0 :              -0.00091682381610
                3s
                   +0 :               0.00057106482742
                2p
                   -1 :              -0.00055334796504
                   +0 :               0.00008511851685
                   +1 :               0.00045189439818
                3p
                   -1 :               0.00061517681582
                   +0 :              -0.00036857709198
                   +1 :              -0.00040069896583
                3d
                   -2 :              -0.00008056327786
                   -1 :              -0.00002982839641
                   +0 :              -0.00002742813723
                   +1 :               0.00003942503456
                   +2 :              -0.00000880812064
              7 vec=     2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00002078042560
                2s
                   +0 :              -0.00008633761156
                3s
                   +0 :               0.00010575243916
                2p
                   -1 :              -0.00009875415026
                   +0 :              -0.00047349564534
                   +1 :               0.00025176866999
                3p
                   -1 :               0.00002985764562
                   +0 :               0.00032803060911
                   +1 :              -0.00015655818083
                3d
                   -2 :              -0.00000533960654
                   -1 :               0.00001300349995
                   +0 :              -0.00001339770881
                   +1 :               0.00001632072971
                   +2 :              -0.00001060109310
              8 vec=    10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00004818497957
                2s
                   +0 :              -0.00026512275533
                3s
                   +0 :               0.00016741268287
                2p
                   -1 :               0.00013389001098
                   +0 :              -0.00023906480555
                   +1 :              -0.00038353046433
                3p
                   -1 :              -0.00012204170237
                   +0 :               0.00009230415462
                   +1 :               0.00031404651282
                3d
                   -2 :              -0.00001817491753
                   -1 :              -0.00000565209857
                   +0 :               0.00001330801679
                   +1 :               0.00000470171577
                   +2 :               0.00001721040037
              9 vec=   -13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00005396380119
                2s
                   +0 :               0.00033583924773
                3s
                   +0 :              -0.00013662018252
                2p
                   -1 :              -0.00017592747964
                   +0 :               0.00014563118344
                   +1 :              -0.00029319623128
                3p
                   -1 :               0.00011493387106
                   +0 :              -0.00014799355855
                   +1 :               0.00020969689236
                3d
                   -2 :               0.00000742510705
                   -1 :              -0.00000379820782
                   +0 :               0.00000341352627
                   +1 :               0.00000202662396
                   +2 :              -0.00000873771556
             10 vec=    10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000747681551
                2s
                   +0 :               0.00002879330646
                3s
                   +0 :              -0.00003303948915
                2p
                   -1 :               0.00014192729968
                   +0 :               0.00003428926912
                   +1 :              -0.00021106853379
                3p
                   -1 :              -0.00014262868215
                   +0 :              -0.00005996457982
                   +1 :               0.00016996813630
                3d
                   -2 :               0.00000236564306
                   -1 :              -0.00000653707708
                   +0 :               0.00001179605172
                   +1 :               0.00000545540129
                   +2 :               0.00001766149197
             11 vec=   -13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00002243759288
                2s
                   +0 :              -0.00012052219568
                3s
                   +0 :               0.00010370833922
                2p
                   -1 :               0.00024036616319
                   +0 :              -0.00007028695189
                   +1 :               0.00015545283906
                3p
                   -1 :              -0.00015810394570
                   +0 :               0.00004875384526
                   +1 :              -0.00012845674327
                3d
                   -2 :               0.00000339827886
                   -1 :               0.00001499701006
                   +0 :              -0.00001908012227
                   +1 :               0.00000411057844
                   +2 :               0.00000320652009
             12 vec=     2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00001359182610
                2s
                   +0 :              -0.00005395813623
                3s
                   +0 :               0.00002426050356
                2p
                   -1 :              -0.00000361859705
                   +0 :               0.00008139247148
                   +1 :               0.00004304171678
                3p
                   -1 :               0.00001760377424
                   +0 :              -0.00010749425300
                   +1 :              -0.00002027846417
                3d
                   -2 :              -0.00000205731708
                   -1 :              -0.00000178559923
                   +0 :               0.00000695524784
                   +1 :               0.00000853114021
                   +2 :               0.00000683518698
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 26)  npairs=  12
              1 vec=    -2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00034828103239
                2s
                   +0 :               0.00361772532018
                3s
                   +0 :              -0.00060460609100
                2p
                   -1 :               0.00078529328605
                   +0 :              -0.01070869206241
                   +1 :               0.00201028843347
                3p
                   -1 :              -0.00203585383057
                   +0 :              -0.00345586396581
                   +1 :              -0.00264390289598
                3d
                   -2 :               0.00029371961471
                   -1 :               0.00172157861828
                   +0 :               0.00003602118755
                   +1 :               0.00118785912961
                   +2 :              -0.00018479076603
              2 vec=    -2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00150458742330
                2s
                   +0 :               0.00839723314023
                3s
                   +0 :              -0.00424394831156
                2p
                   -1 :               0.00872937464661
                   +0 :              -0.00579646378002
                   +1 :              -0.00028709628993
                3p
                   -1 :              -0.00657425600746
                   +0 :               0.00111518686876
                   +1 :               0.00012054542825
                3d
                   -2 :               0.00012137882931
                   -1 :              -0.00087473779786
                   +0 :               0.00041907577363
                   +1 :               0.00008303310406
                   +2 :               0.00042794814939
              3 vec=     5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00186866846881
                2s
                   +0 :              -0.01223708785755
                3s
                   +0 :               0.00538294027928
                2p
                   -1 :               0.00031307106538
                   +0 :              -0.00018719654762
                   +1 :              -0.00839869640104
                3p
                   -1 :              -0.00009890739945
                   +0 :              -0.00374641320623
                   +1 :               0.00465049382577
                3d
                   -2 :              -0.00027945009058
                   -1 :               0.00020435897577
                   +0 :              -0.00023395772122
                   +1 :              -0.00063021751163
                   +2 :               0.00012845314257
              4 vec=   -10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00003061148579
                2s
                   +0 :               0.00057445500261
                3s
                   +0 :               0.00017627896715
                2p
                   -1 :              -0.00008525897769
                   +0 :               0.00021702865789
                   +1 :              -0.00132290060217
                3p
                   -1 :               0.00006090076609
                   +0 :              -0.00056012932193
                   +1 :               0.00057666787119
                3d
                   -2 :              -0.00006628819776
                   -1 :              -0.00004582733835
                   +0 :               0.00010566867651
                   +1 :               0.00012211074947
                   +2 :              -0.00000600334637
              5 vec=     5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00000893426899
                2s
                   +0 :              -0.00042778891295
                3s
                   +0 :               0.00003018385757
                2p
                   -1 :               0.00156676910381
                   +0 :              -0.00027253924365
                   +1 :              -0.00006851297940
                3p
                   -1 :              -0.00096384871951
                   +0 :              -0.00018178619553
                   +1 :              -0.00026507407949
                3d
                   -2 :              -0.00000701351867
                   -1 :               0.00002131906389
                   +0 :               0.00005847177677
                   +1 :              -0.00000597614943
                   +2 :              -0.00008542425992
              6 vec=     5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00017521298726
                2s
                   +0 :               0.00078930180716
                3s
                   +0 :              -0.00054501889515
                2p
                   -1 :               0.00075119514364
                   +0 :               0.00031892250413
                   +1 :               0.00036775395793
                3p
                   -1 :              -0.00081583706682
                   +0 :              -0.00057934245990
                   +1 :              -0.00037409999886
                3d
                   -2 :              -0.00007795957082
                   -1 :              -0.00001557766211
                   +0 :               0.00002330465652
                   +1 :              -0.00004278464857
                   +2 :               0.00001054442195
              7 vec=   -10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00006769196774
                2s
                   +0 :               0.00047011640777
                3s
                   +0 :              -0.00020935419673
                2p
                   -1 :              -0.00020228458178
                   +0 :              -0.00019507410206
                   +1 :              -0.00048140292211
                3p
                   -1 :               0.00015537374552
                   +0 :               0.00007602853388
                   +1 :               0.00033932156236
                3d
                   -2 :              -0.00001539481709
                   -1 :              -0.00001099688631
                   +0 :              -0.00001428300714
                   +1 :              -0.00000777779326
                   +2 :              -0.00001442835400
              8 vec=    -2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00000523216568
                2s
                   +0 :               0.00005551292154
                3s
                   +0 :              -0.00001181812862
                2p
                   -1 :               0.00023966158970
                   +0 :              -0.00037740416263
                   +1 :               0.00027738634985
                3p
                   -1 :              -0.00018518152063
                   +0 :               0.00022965496241
                   +1 :              -0.00018342641018
                3d
                   -2 :              -0.00000006001427
                   -1 :               0.00000808128823
                   +0 :               0.00001366861200
                   +1 :              -0.00001952694333
                   +2 :               0.00000744522819
              9 vec=   -10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000054142858
                2s
                   +0 :               0.00001987865488
                3s
                   +0 :               0.00000991374137
                2p
                   -1 :              -0.00008046974584
                   +0 :               0.00013411376704
                   +1 :              -0.00009922153808
                3p
                   -1 :               0.00009032386452
                   +0 :              -0.00011712721825
                   +1 :               0.00008306896609
                3d
                   -2 :               0.00000284941935
                   -1 :              -0.00000436291253
                   +0 :              -0.00001733117109
                   +1 :              -0.00000366210540
                   +2 :              -0.00000755598110
             10 vec=    13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00005016568305
                2s
                   +0 :              -0.00024720542976
                3s
                   +0 :               0.00012569348349
                2p
                   -1 :               0.00013159286910
                   +0 :               0.00006688307363
                   +1 :              -0.00029299232005
                3p
                   -1 :              -0.00009534144055
                   +0 :              -0.00011055522890
                   +1 :               0.00022923619184
                3d
                   -2 :               0.00000601004559
                   -1 :              -0.00000421459567
                   +0 :              -0.00000940162714
                   +1 :              -0.00000340057879
                   +2 :               0.00001270785063
             11 vec=    -2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00000418518838
                2s
                   +0 :              -0.00002848031271
                3s
                   +0 :               0.00000183601371
                2p
                   -1 :              -0.00004721931726
                   +0 :               0.00002926759982
                   +1 :               0.00000669850969
                3p
                   -1 :               0.00000661490704
                   +0 :              -0.00006184822985
                   +1 :               0.00001510321375
                3d
                   -2 :               0.00000242398178
                   -1 :              -0.00000188994719
                   +0 :              -0.00000918830899
                   +1 :              -0.00000827898651
                   +2 :              -0.00000956735879
             12 vec=    13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00003747580093
                2s
                   +0 :               0.00024866957418
                3s
                   +0 :              -0.00014663545680
                2p
                   -1 :              -0.00017004905840
                   +0 :              -0.00007791720279
                   +1 :               0.00029438110193
                3p
                   -1 :               0.00011174988721
                   +0 :               0.00004942532560
                   +1 :              -0.00023724423068
                3d
                   -2 :               0.00000108071904
                   -1 :               0.00001270689132
                   +0 :               0.00002185761962
                   +1 :              -0.00000167895789
                   +2 :              -0.00000846616133
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 27)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00016641331879
                2s
                   +0 :              -0.00266346754482
                3s
                   +0 :              -0.00009534330513
                2p
                   -1 :               0.00024579931205
                   +0 :               0.87572442065506
                   +1 :              -0.03235648600866
                3p
                   -1 :              -0.00036021295484
                   +0 :              -0.04028356124159
                   +1 :               0.01323434933833
                3d
                   -2 :               0.00227183645383
                   -1 :              -0.00439028878411
                   +0 :              -0.00023292432155
                   +1 :               0.00005830028239
                   +2 :              -0.00005927443185
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00003515928282
                2s
                   +0 :               0.00003073368220
                3s
                   +0 :               0.00015801496211
                2p
                   -1 :               0.00022679019087
                   +0 :              -0.00042245073519
                   +1 :               0.00071894241925
                3p
                   -1 :              -0.00020713257738
                   +0 :               0.00056984621712
                   +1 :              -0.00078825587955
                3d
                   -2 :              -0.00007832990225
                   -1 :              -0.00001228316401
                   +0 :              -0.00000537309538
                   +1 :              -0.00012201345808
                   +2 :               0.00002001602070
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00026170294425
                2s
                   +0 :               0.00193425990816
                3s
                   +0 :              -0.00109216542751
                2p
                   -1 :               0.00098384383203
                   +0 :               0.00091571352983
                   +1 :              -0.00116381510202
                3p
                   -1 :              -0.00068513215121
                   +0 :              -0.00081446378657
                   +1 :               0.00119754995574
                3d
                   -2 :               0.00017154220477
                   -1 :              -0.00015970336117
                   +0 :               0.00001333749234
                   +1 :               0.00012887758497
                   +2 :              -0.00008079291014
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000031121795
                2s
                   +0 :               0.00002715788561
                3s
                   +0 :               0.00004026893376
                2p
                   -1 :              -0.00019235792943
                   +0 :              -0.00043525413029
                   +1 :              -0.00172573803358
                3p
                   -1 :               0.00019438804143
                   +0 :               0.00080193503840
                   +1 :               0.00186570909301
                3d
                   -2 :              -0.00006509223972
                   -1 :              -0.00019592118098
                   +0 :               0.00001067579734
                   +1 :              -0.00001068691165
                   +2 :               0.00000479207593
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000124136014
                2s
                   +0 :               0.00001461240815
                3s
                   +0 :              -0.00002558995785
                2p
                   -1 :              -0.00001426020526
                   +0 :               0.00085003652763
                   +1 :               0.00011689979846
                3p
                   -1 :              -0.00001574064060
                   +0 :              -0.00048128993045
                   +1 :               0.00004198999514
                3d
                   -2 :               0.00003020505618
                   -1 :               0.00001742750595
                   +0 :               0.00001855908252
                   +1 :               0.00000411879350
                   +2 :               0.00001174356093
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00007247497547
                2s
                   +0 :               0.00032786129167
                3s
                   +0 :              -0.00022595260559
                2p
                   -1 :              -0.00029422873859
                   +0 :              -0.00029002832870
                   +1 :               0.00087214548420
                3p
                   -1 :               0.00025178370562
                   +0 :               0.00029832570451
                   +1 :              -0.00085684041730
                3d
                   -2 :              -0.00008507894981
                   -1 :              -0.00000600846159
                   +0 :              -0.00000154286979
                   +1 :               0.00009228745193
                   +2 :              -0.00001639646598
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00029056795292
                2s
                   +0 :              -0.00205235735346
                3s
                   +0 :               0.00123748760383
                2p
                   -1 :              -0.00109354950818
                   +0 :               0.00077131080050
                   +1 :              -0.00161126219337
                3p
                   -1 :               0.00083595327276
                   +0 :              -0.00057149974772
                   +1 :               0.00169543013494
                3d
                   -2 :               0.00020057788644
                   -1 :              -0.00013950900922
                   +0 :              -0.00002086561822
                   +1 :              -0.00009289748060
                   +2 :               0.00011470386802
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002294971950
                2s
                   +0 :               0.00023042964708
                3s
                   +0 :              -0.00001982836687
                2p
                   -1 :              -0.00006945856725
                   +0 :              -0.00011326297692
                   +1 :              -0.00002696751413
                3p
                   -1 :               0.00003187753425
                   +0 :               0.00001960172944
                   +1 :              -0.00013720908981
                3d
                   -2 :              -0.00000418825461
                   -1 :              -0.00000460616678
                   +0 :              -0.00001195855875
                   +1 :              -0.00000313602985
                   +2 :               0.00002847267576
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001670786710
                2s
                   +0 :               0.00014927522403
                3s
                   +0 :              -0.00001992018013
                2p
                   -1 :               0.00015897291085
                   +0 :               0.00001911629351
                   +1 :               0.00006817015027
                3p
                   -1 :              -0.00022143736196
                   +0 :              -0.00002891034780
                   +1 :              -0.00009925007720
                3d
                   -2 :               0.00001613477657
                   -1 :               0.00000135330780
                   +0 :              -0.00001350261274
                   +1 :              -0.00001222394262
                   +2 :              -0.00000620930599
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002849379255
                2s
                   +0 :               0.00018652345715
                3s
                   +0 :              -0.00006654863688
                2p
                   -1 :               0.00004316592028
                   +0 :               0.00009168287199
                   +1 :               0.00001019432918
                3p
                   -1 :               0.00001727590867
                   +0 :              -0.00010594325587
                   +1 :              -0.00002838267915
                3d
                   -2 :              -0.00000643965757
                   -1 :              -0.00000672636386
                   +0 :              -0.00001129771472
                   +1 :               0.00000314526773
                   +2 :              -0.00000305117103
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000186087943
                2s
                   +0 :              -0.00002575137492
                3s
                   +0 :              -0.00001077962982
                2p
                   -1 :              -0.00016391496290
                   +0 :              -0.00000064653102
                   +1 :               0.00004093978536
                3p
                   -1 :               0.00022553979302
                   +0 :              -0.00002263419032
                   +1 :              -0.00007570466326
                3d
                   -2 :               0.00001839629922
                   -1 :               0.00000174038236
                   +0 :               0.00001163185904
                   +1 :               0.00001202565740
                   +2 :               0.00001035074985
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003629102753
                2s
                   +0 :              -0.00023446441972
                3s
                   +0 :               0.00008113419322
                2p
                   -1 :              -0.00004447751498
                   +0 :               0.00009451328730
                   +1 :               0.00001423442799
                3p
                   -1 :              -0.00002329837442
                   +0 :              -0.00010498415049
                   +1 :              -0.00004596789384
                3d
                   -2 :              -0.00000738340314
                   -1 :              -0.00000896112070
                   +0 :               0.00001160095776
                   +1 :              -0.00000366436747
                   +2 :               0.00000105773976
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001385160698
                2s
                   +0 :              -0.00011478640678
                3s
                   +0 :               0.00000614787133
                2p
                   -1 :               0.00006171778660
                   +0 :              -0.00015849918409
                   +1 :               0.00001737916737
                3p
                   -1 :              -0.00002694971076
                   +0 :               0.00004876367505
                   +1 :              -0.00015390834114
                3d
                   -2 :              -0.00000428517572
                   -1 :              -0.00000508314351
                   +0 :               0.00001916527153
                   +1 :               0.00000266333758
                   +2 :              -0.00002911034318
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000378784268
                2s
                   +0 :              -0.00000179530925
                3s
                   +0 :               0.00001714828439
                2p
                   -1 :               0.00001998642269
                   +0 :              -0.00000038459308
                   +1 :              -0.00002224493030
                3p
                   -1 :              -0.00002457248575
                   +0 :              -0.00001483912932
                   +1 :               0.00000677318258
                3d
                   -2 :               0.00000336116825
                   -1 :              -0.00000110510120
                   +0 :              -0.00000285661397
                   +1 :               0.00000276599341
                   +2 :               0.00000041357551
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000315276469
                2s
                   +0 :              -0.00001096753498
                3s
                   +0 :               0.00001124916203
                2p
                   -1 :              -0.00003575688623
                   +0 :              -0.00001451975626
                   +1 :               0.00001229549046
                3p
                   -1 :               0.00004001251395
                   +0 :               0.00000623189457
                   +1 :              -0.00001858446311
                3d
                   -2 :              -0.00000293802660
                   -1 :               0.00000131859075
                   +0 :               0.00000003657730
                   +1 :               0.00000089213721
                   +2 :              -0.00000088639035
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000338650757
                2s
                   +0 :               0.00003898700360
                3s
                   +0 :              -0.00000646888856
                2p
                   -1 :              -0.00002235471901
                   +0 :               0.00000696830434
                   +1 :               0.00001193282341
                3p
                   -1 :               0.00001136032538
                   +0 :              -0.00001717902135
                   +1 :              -0.00001564018142
                3d
                   -2 :               0.00000417311592
                   -1 :               0.00000023398741
                   +0 :              -0.00000035400122
                   +1 :              -0.00000063361164
                   +2 :               0.00000068041089
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000079114371
                2s
                   +0 :               0.00000167665725
                3s
                   +0 :              -0.00000416618879
                2p
                   -1 :              -0.00000905772886
                   +0 :               0.00004827943572
                   +1 :              -0.00002287460227
                3p
                   -1 :               0.00000357537083
                   +0 :              -0.00004951769037
                   +1 :               0.00000805438572
                3d
                   -2 :              -0.00000029236272
                   -1 :              -0.00000598943353
                   +0 :               0.00000038393709
                   +1 :               0.00000214051944
                   +2 :              -0.00000036389269
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000717581877
                2s
                   +0 :               0.00004155163291
                3s
                   +0 :              -0.00002216014294
                2p
                   -1 :              -0.00000391326239
                   +0 :               0.00000061012255
                   +1 :              -0.00001389937056
                3p
                   -1 :               0.00001112010225
                   +0 :              -0.00000455843686
                   +1 :               0.00000760869340
                3d
                   -2 :               0.00000313494506
                   -1 :              -0.00000166391974
                   +0 :               0.00000390166030
                   +1 :              -0.00000173366000
                   +2 :               0.00000001933719
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000378355492
                2s
                   +0 :               0.00002250516705
                3s
                   +0 :              -0.00001051812477
                2p
                   -1 :               0.00002934625865
                   +0 :              -0.00003291480121
                   +1 :               0.00002493566390
                3p
                   -1 :              -0.00002654912988
                   +0 :               0.00001415910658
                   +1 :              -0.00002779741630
                3d
                   -2 :              -0.00000149268270
                   -1 :               0.00000026215540
                   +0 :               0.00000026390537
                   +1 :              -0.00000040942582
                   +2 :              -0.00000183592852
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 28)  npairs=  14
              1 vec=    -2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00004887091416
                2s
                   +0 :              -0.00025154805068
                3s
                   +0 :              -0.00016248783104
                2p
                   -1 :               0.00015155648370
                   +0 :               0.00015501284574
                   +1 :              -0.00077160395112
                3p
                   -1 :              -0.00018303771924
                   +0 :              -0.00008990938164
                   +1 :               0.00042748928852
                3d
                   -2 :               0.00003461350576
                   -1 :               0.00000343382149
                   +0 :               0.00002329901229
                   +1 :              -0.00000605304600
                   +2 :              -0.00002601261885
              2 vec=    -2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00002196129981
                2s
                   +0 :               0.00039514883721
                3s
                   +0 :               0.00008199473167
                2p
                   -1 :               0.00009576152588
                   +0 :              -0.00041561148472
                   +1 :               0.00025335448973
                3p
                   -1 :              -0.00012204762364
                   +0 :               0.00054164423167
                   +1 :              -0.00026850598417
                3d
                   -2 :               0.00000787064350
                   -1 :              -0.00000749159138
                   +0 :               0.00001406986832
                   +1 :              -0.00002486682879
                   +2 :               0.00002000817981
              3 vec=     5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00013591509764
                2s
                   +0 :              -0.00165805955137
                3s
                   +0 :               0.00015168034313
                2p
                   -1 :              -0.00061451089176
                   +0 :               0.00100711043863
                   +1 :              -0.00051696069462
                3p
                   -1 :               0.00029422471046
                   +0 :               0.00004673948106
                   +1 :               0.00029159433831
                3d
                   -2 :               0.00000091265751
                   -1 :               0.00002088658542
                   +0 :              -0.00008725576907
                   +1 :               0.00000864078497
                   +2 :               0.00002952075631
              4 vec=     5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00010708747694
                2s
                   +0 :               0.00144552511759
                3s
                   +0 :              -0.00012012074020
                2p
                   -1 :               0.00001859033719
                   +0 :               0.00087866844251
                   +1 :               0.00020386989896
                3p
                   -1 :               0.00016616005417
                   +0 :              -0.00000432024724
                   +1 :              -0.00000453318508
                3d
                   -2 :              -0.00000501785226
                   -1 :               0.00005636790412
                   +0 :               0.00002718341141
                   +1 :              -0.00000061527892
                   +2 :              -0.00002846243630
              5 vec=     5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00003338338900
                2s
                   +0 :              -0.00042800829646
                3s
                   +0 :               0.00012079164051
                2p
                   -1 :              -0.00006102296066
                   +0 :               0.00029436385775
                   +1 :              -0.00017942825154
                3p
                   -1 :               0.00000159617262
                   +0 :              -0.00020668173697
                   +1 :              -0.00008349734115
                3d
                   -2 :              -0.00000088542307
                   -1 :               0.00000165009242
                   +0 :               0.00002175190069
                   +1 :               0.00002814325423
                   +2 :              -0.00000590511376
              6 vec=     5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001226370938
                2s
                   +0 :              -0.00001199007362
                3s
                   +0 :               0.00005204009618
                2p
                   -1 :               0.00018945044295
                   +0 :              -0.00031924740512
                   +1 :               0.00049054443751
                3p
                   -1 :              -0.00013478460221
                   +0 :               0.00030388959904
                   +1 :               0.00001103510750
                3d
                   -2 :              -0.00002345227248
                   -1 :               0.00001131987425
                   +0 :               0.00001184013910
                   +1 :               0.00004421801272
                   +2 :               0.00000512143979
              7 vec=    -2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006902933451
                2s
                   +0 :              -0.00081456379455
                3s
                   +0 :               0.00012442849985
                2p
                   -1 :              -0.00041680440596
                   +0 :               0.00043612919762
                   +1 :              -0.00039809212248
                3p
                   -1 :               0.00006834113863
                   +0 :              -0.00013401163397
                   +1 :               0.00014253796891
                3d
                   -2 :              -0.00000572155457
                   -1 :               0.00001402015419
                   +0 :               0.00000156495232
                   +1 :               0.00000974266295
                   +2 :               0.00000610800071
              8 vec=    -2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001257734760
                2s
                   +0 :               0.00005857978537
                3s
                   +0 :               0.00012785750539
                2p
                   -1 :              -0.00009506806246
                   +0 :              -0.00017426697734
                   +1 :               0.00022758798580
                3p
                   -1 :               0.00019219370403
                   +0 :               0.00022057155194
                   +1 :              -0.00017613578905
                3d
                   -2 :              -0.00000539279540
                   -1 :               0.00004711655082
                   +0 :               0.00001569560344
                   +1 :              -0.00001664183120
                   +2 :              -0.00002198944167
              9 vec=    -2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000382956159
                2s
                   +0 :              -0.00002732863893
                3s
                   +0 :              -0.00001631865397
                2p
                   -1 :               0.00000655871968
                   +0 :              -0.00004896357255
                   +1 :               0.00012825497551
                3p
                   -1 :               0.00006613065275
                   +0 :               0.00009669066590
                   +1 :              -0.00007631210452
                3d
                   -2 :              -0.00001374423923
                   -1 :              -0.00000717192917
                   +0 :              -0.00002050035118
                   +1 :              -0.00000210871534
                   +2 :              -0.00000144156546
             10 vec=    -2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00004369977162
                2s
                   +0 :               0.00034363080061
                3s
                   +0 :              -0.00011405234857
                2p
                   -1 :              -0.00026572534406
                   +0 :               0.00014653296212
                   +1 :               0.00000556042067
                3p
                   -1 :               0.00013285447094
                   +0 :              -0.00010521436411
                   +1 :              -0.00001994888155
                3d
                   -2 :               0.00000104174673
                   -1 :               0.00000624474774
                   +0 :               0.00000230214912
                   +1 :              -0.00000060319543
                   +2 :              -0.00000137111783
             11 vec=   -10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000116774430
                2s
                   +0 :              -0.00002244012366
                3s
                   +0 :              -0.00000789767720
                2p
                   -1 :              -0.00007591754083
                   +0 :               0.00008077770716
                   +1 :               0.00008838294577
                3p
                   -1 :               0.00004096912651
                   +0 :              -0.00002752080238
                   +1 :              -0.00001700105768
                3d
                   -2 :              -0.00000300823374
                   -1 :              -0.00000461080564
                   +0 :               0.00000392361120
                   +1 :               0.00000032112284
                   +2 :              -0.00000112522862
             12 vec=   -10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002946383423
                2s
                   +0 :              -0.00012637692682
                3s
                   +0 :               0.00007367891126
                2p
                   -1 :              -0.00008474954441
                   +0 :              -0.00001252037151
                   +1 :              -0.00015057616995
                3p
                   -1 :               0.00008795849519
                   +0 :               0.00001712586337
                   +1 :               0.00011802958163
                3d
                   -2 :              -0.00000151441072
                   -1 :               0.00001423320069
                   +0 :               0.00000722817994
                   +1 :               0.00000434492191
                   +2 :              -0.00002510443047
             13 vec=   -10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000136130575
                2s
                   +0 :              -0.00004576995013
                3s
                   +0 :              -0.00003281745102
                2p
                   -1 :               0.00007416913049
                   +0 :              -0.00010593615704
                   +1 :               0.00004887199051
                3p
                   -1 :               0.00001694129624
                   +0 :               0.00008417226135
                   +1 :               0.00003828596100
                3d
                   -2 :              -0.00000945690637
                   -1 :              -0.00000340071368
                   +0 :              -0.00000190123897
                   +1 :              -0.00001256034788
                   +2 :              -0.00000397280917
             14 vec=   -10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002311790238
                2s
                   +0 :               0.00023207109353
                3s
                   +0 :              -0.00004427003166
                2p
                   -1 :               0.00000863955499
                   +0 :               0.00006197525784
                   +1 :              -0.00021302511284
                3p
                   -1 :              -0.00003756730380
                   +0 :               0.00000456550498
                   +1 :               0.00008533958658
                3d
                   -2 :               0.00000391582552
                   -1 :               0.00000045005958
                   +0 :               0.00000247305965
                   +1 :               0.00000242996945
                   +2 :               0.00000007283792
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 29)  npairs=  14
              1 vec=     2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00010109195005
                2s
                   +0 :               0.00020960397453
                3s
                   +0 :              -0.00041067323592
                2p
                   -1 :              -0.00012394804898
                   +0 :              -0.00071686866938
                   +1 :               0.00071162111061
                3p
                   -1 :               0.00017953994249
                   +0 :               0.00072558583738
                   +1 :              -0.00061067962798
                3d
                   -2 :              -0.00000019122416
                   -1 :              -0.00000221442417
                   +0 :               0.00000024001069
                   +1 :               0.00004487268476
                   +2 :              -0.00000086693587
              2 vec=     2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000398305841
                2s
                   +0 :               0.00049902282827
                3s
                   +0 :               0.00007143501458
                2p
                   -1 :              -0.00021992433903
                   +0 :               0.00009672464946
                   +1 :              -0.00043344716433
                3p
                   -1 :               0.00022953113581
                   +0 :               0.00001213391566
                   +1 :               0.00023704520969
                3d
                   -2 :               0.00002982018516
                   -1 :               0.00000692371018
                   +0 :              -0.00003015190824
                   +1 :               0.00001343165161
                   +2 :               0.00000423228456
              3 vec=    -5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00009542595734
                2s
                   +0 :              -0.00141934385149
                3s
                   +0 :               0.00010057489512
                2p
                   -1 :              -0.00018325583068
                   +0 :               0.00101578109592
                   +1 :               0.00031823489359
                3p
                   -1 :              -0.00018002715163
                   +0 :              -0.00001257361087
                   +1 :              -0.00014629634764
                3d
                   -2 :              -0.00000995949869
                   -1 :               0.00005919183611
                   +0 :              -0.00002131153708
                   +1 :              -0.00000021670164
                   +2 :               0.00003696329864
              4 vec=    -5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00021325368995
                2s
                   +0 :               0.00209434496216
                3s
                   +0 :              -0.00061803346172
                2p
                   -1 :               0.00072929812628
                   +0 :               0.00128443295057
                   +1 :              -0.00050583523494
                3p
                   -1 :              -0.00040277070993
                   +0 :              -0.00036912284662
                   +1 :               0.00027970327659
                3d
                   -2 :               0.00002719178738
                   -1 :               0.00000019574924
                   +0 :               0.00000248907103
                   +1 :               0.00000233517059
                   +2 :              -0.00004501761725
              5 vec=    -5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00004865717626
                2s
                   +0 :              -0.00056947659102
                3s
                   +0 :               0.00004533560980
                2p
                   -1 :              -0.00000598904768
                   +0 :              -0.00001725567637
                   +1 :               0.00031362715301
                3p
                   -1 :               0.00006671639026
                   +0 :               0.00025969022927
                   +1 :              -0.00000102407510
                3d
                   -2 :              -0.00000183801260
                   -1 :              -0.00000565553391
                   +0 :              -0.00002474970273
                   +1 :              -0.00002569603984
                   +2 :              -0.00002501856310
              6 vec=    -5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002897566991
                2s
                   +0 :               0.00047144621314
                3s
                   +0 :              -0.00005421461297
                2p
                   -1 :               0.00003487194093
                   +0 :               0.00007083739076
                   +1 :              -0.00007642454031
                3p
                   -1 :               0.00000003400210
                   +0 :               0.00005476897459
                   +1 :              -0.00017159058925
                3d
                   -2 :               0.00000266687989
                   -1 :               0.00000604391258
                   +0 :              -0.00000403401648
                   +1 :              -0.00001897182899
                   +2 :               0.00001382729862
              7 vec=     2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006061205492
                2s
                   +0 :              -0.00045670415264
                3s
                   +0 :               0.00013580544352
                2p
                   -1 :              -0.00011390703843
                   +0 :               0.00013343761236
                   +1 :              -0.00005871982189
                3p
                   -1 :              -0.00003176253033
                   +0 :              -0.00002719814534
                   +1 :               0.00015206726452
                3d
                   -2 :               0.00002089992328
                   -1 :               0.00000113346567
                   +0 :               0.00002000830636
                   +1 :              -0.00003031223729
                   +2 :               0.00000000382270
              8 vec=     2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00006062358935
                2s
                   +0 :               0.00081231564656
                3s
                   +0 :              -0.00010619035534
                2p
                   -1 :               0.00053665009293
                   +0 :               0.00049117481878
                   +1 :              -0.00037912758346
                3p
                   -1 :              -0.00018822543500
                   +0 :              -0.00017337544884
                   +1 :               0.00016773703288
                3d
                   -2 :              -0.00001038194669
                   -1 :               0.00001223622725
                   +0 :              -0.00000668229599
                   +1 :               0.00000225687929
                   +2 :               0.00000495484747
              9 vec=     2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001724151373
                2s
                   +0 :              -0.00015503008746
                3s
                   +0 :               0.00004539805685
                2p
                   -1 :               0.00019227514245
                   +0 :               0.00008467342382
                   +1 :              -0.00000166757099
                3p
                   -1 :              -0.00008793580670
                   +0 :              -0.00003265949294
                   +1 :              -0.00002857336701
                3d
                   -2 :               0.00000015162015
                   -1 :               0.00000228946552
                   +0 :              -0.00001603692574
                   +1 :               0.00000299395285
                   +2 :               0.00000148507180
             10 vec=     2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000298886169
                2s
                   +0 :              -0.00002073134600
                3s
                   +0 :               0.00004077810769
                2p
                   -1 :              -0.00000903803027
                   +0 :              -0.00009475412476
                   +1 :               0.00006981102543
                3p
                   -1 :              -0.00002768065440
                   +0 :               0.00013422505337
                   +1 :              -0.00001263311822
                3d
                   -2 :              -0.00001715557528
                   -1 :              -0.00000547314310
                   +0 :               0.00001874985787
                   +1 :               0.00000369703446
                   +2 :               0.00000158742144
             11 vec=    10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000340764920
                2s
                   +0 :              -0.00002263230008
                3s
                   +0 :              -0.00000500910771
                2p
                   -1 :              -0.00020538891869
                   +0 :              -0.00003882193755
                   +1 :              -0.00008315056122
                3p
                   -1 :               0.00016628230769
                   +0 :               0.00007773389809
                   +1 :               0.00002059701030
                3d
                   -2 :               0.00001336680797
                   -1 :              -0.00001547359507
                   +0 :              -0.00000653730498
                   +1 :               0.00000136211404
                   +2 :              -0.00000677768675
             12 vec=    10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000520480148
                2s
                   +0 :              -0.00000240554470
                3s
                   +0 :               0.00003359379467
                2p
                   -1 :              -0.00009941891394
                   +0 :               0.00005736320949
                   +1 :               0.00010252237087
                3p
                   -1 :               0.00006485329381
                   +0 :               0.00003326490037
                   +1 :              -0.00003290245303
                3d
                   -2 :              -0.00000336635711
                   -1 :               0.00000395429901
                   +0 :               0.00000084765195
                   +1 :               0.00000393678746
                   +2 :              -0.00000014508171
             13 vec=    10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000592081310
                2s
                   +0 :              -0.00007982937364
                3s
                   +0 :               0.00001973048246
                2p
                   -1 :               0.00007773426013
                   +0 :               0.00000395570680
                   +1 :              -0.00016323625912
                3p
                   -1 :              -0.00004100341191
                   +0 :              -0.00000995873347
                   +1 :               0.00007489883819
                3d
                   -2 :               0.00000373738616
                   -1 :               0.00000757297854
                   +0 :               0.00000139308195
                   +1 :              -0.00000602910940
                   +2 :               0.00000621856083
             14 vec=    10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00006239493537
                2s
                   +0 :              -0.00054575274880
                3s
                   +0 :               0.00004711978392
                2p
                   -1 :               0.00008480051494
                   +0 :              -0.00029809404050
                   +1 :              -0.00009548956487
                3p
                   -1 :               0.00001729332378
                   +0 :              -0.00001587652945
                   +1 :              -0.00002770075286
                3d
                   -2 :               0.00001618594002
                   -1 :               0.00002339501376
                   +0 :              -0.00001737607270
                   +1 :              -0.00002782184350
                   +2 :              -0.00000081375964
WF             site_B          number of pairs
WF( 49)=[O_15_2pz]  to site O ( 30)  npairs=  18
              1 vec=     0.000000      3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00006727745449
                2s
                   +0 :               0.00012222338597
                3s
                   +0 :              -0.00022262069046
                2p
                   -1 :               0.00046408110760
                   +0 :               0.00009906998139
                   +1 :               0.00003787457367
                3p
                   -1 :              -0.00036969463235
                   +0 :              -0.00005721844809
                   +1 :              -0.00007161088299
                3d
                   -2 :               0.00003328512323
                   -1 :               0.00003112401431
                   +0 :               0.00001762308850
                   +1 :              -0.00001989605464
                   +2 :               0.00002826055841
              2 vec=     0.000000      3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00003072725162
                2s
                   +0 :               0.00058360105546
                3s
                   +0 :              -0.00008602715661
                2p
                   -1 :              -0.00009794371861
                   +0 :              -0.00013064671117
                   +1 :               0.00009029206251
                3p
                   -1 :               0.00009579967491
                   +0 :               0.00024979388910
                   +1 :              -0.00012941464904
                3d
                   -2 :              -0.00001137924835
                   -1 :              -0.00000225263701
                   +0 :              -0.00000518122769
                   +1 :               0.00002176152529
                   +2 :              -0.00004837328580
              3 vec=     0.000000     -5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00011329036209
                2s
                   +0 :              -0.00138666076020
                3s
                   +0 :               0.00017544197225
                2p
                   -1 :              -0.00002059869957
                   +0 :               0.00083924421194
                   +1 :               0.00011415233637
                3p
                   -1 :               0.00014459547729
                   +0 :               0.00000965103930
                   +1 :              -0.00013790821954
                3d
                   -2 :              -0.00000737686088
                   -1 :              -0.00001227956080
                   +0 :              -0.00000357908949
                   +1 :               0.00001904931198
                   +2 :              -0.00002857337484
              4 vec=     0.000000     -5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00011324212166
                2s
                   +0 :               0.00144586573632
                3s
                   +0 :              -0.00009887965336
                2p
                   -1 :              -0.00009411036670
                   +0 :               0.00082312266570
                   +1 :               0.00023691434754
                3p
                   -1 :              -0.00008586534181
                   +0 :               0.00005041677103
                   +1 :              -0.00016070062537
                3d
                   -2 :               0.00001108359705
                   -1 :              -0.00002611763187
                   +0 :               0.00003449318137
                   +1 :              -0.00003193283565
                   +2 :               0.00003613673018
              5 vec=    -7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00010564316868
                2s
                   +0 :              -0.00158663468866
                3s
                   +0 :               0.00017195896680
                2p
                   -1 :               0.00043196085462
                   +0 :               0.00110673970027
                   +1 :               0.00064281486134
                3p
                   -1 :               0.00001868178848
                   +0 :              -0.00016676467733
                   +1 :              -0.00009482137420
                3d
                   -2 :              -0.00004635281635
                   -1 :              -0.00003397047243
                   +0 :              -0.00002565139432
                   +1 :              -0.00003541314144
                   +2 :              -0.00000978115575
              6 vec=    -7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000065364745
                2s
                   +0 :               0.00020765141496
                3s
                   +0 :               0.00002172719671
                2p
                   -1 :               0.00003647063705
                   +0 :              -0.00011854013256
                   +1 :              -0.00032043413928
                3p
                   -1 :              -0.00018473570437
                   +0 :               0.00019296257728
                   +1 :               0.00018359139597
                3d
                   -2 :               0.00000577389395
                   -1 :              -0.00004389885533
                   +0 :               0.00000164355363
                   +1 :               0.00000407659534
                   +2 :              -0.00001071819036
              7 vec=     7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005400031496
                2s
                   +0 :              -0.00053742682852
                3s
                   +0 :               0.00011952425647
                2p
                   -1 :               0.00050147060406
                   +0 :               0.00029178901704
                   +1 :              -0.00011821310579
                3p
                   -1 :              -0.00018087655075
                   +0 :              -0.00003579637044
                   +1 :              -0.00007258003737
                3d
                   -2 :               0.00002164317627
                   -1 :              -0.00001569155846
                   +0 :               0.00001523367480
                   +1 :               0.00002329105499
                   +2 :              -0.00000718627128
              8 vec=     7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000647935310
                2s
                   +0 :               0.00062911854344
                3s
                   +0 :               0.00003622377329
                2p
                   -1 :              -0.00058716549348
                   +0 :               0.00076428478408
                   +1 :               0.00046515801633
                3p
                   -1 :              -0.00002213071338
                   +0 :              -0.00018208243946
                   +1 :               0.00001934261645
                3d
                   -2 :              -0.00003137789730
                   -1 :              -0.00005301535172
                   +0 :               0.00001630722990
                   +1 :               0.00003913248386
                   +2 :               0.00002284909336
              9 vec=    -7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001811875084
                2s
                   +0 :              -0.00016043520372
                3s
                   +0 :               0.00006135815024
                2p
                   -1 :              -0.00008760682556
                   +0 :               0.00003859811369
                   +1 :               0.00008985746166
                3p
                   -1 :              -0.00000231460251
                   +0 :              -0.00002492219093
                   +1 :               0.00000018263635
                3d
                   -2 :              -0.00000217236860
                   -1 :               0.00000064524118
                   +0 :               0.00000046407491
                   +1 :               0.00000373616178
                   +2 :              -0.00000092245115
             10 vec=    -7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000582271854
                2s
                   +0 :               0.00006861419097
                3s
                   +0 :              -0.00000298639338
                2p
                   -1 :              -0.00005006408291
                   +0 :              -0.00004767624680
                   +1 :              -0.00011568376292
                3p
                   -1 :               0.00010013157142
                   +0 :               0.00006289677474
                   +1 :               0.00006928400927
                3d
                   -2 :              -0.00000436689217
                   -1 :              -0.00000064984080
                   +0 :               0.00000039818092
                   +1 :               0.00000138980895
                   +2 :              -0.00000593823929
             11 vec=     7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000233651270
                2s
                   +0 :              -0.00006277843312
                3s
                   +0 :              -0.00000239707416
                2p
                   -1 :               0.00012415360119
                   +0 :               0.00004887048333
                   +1 :              -0.00012453653218
                3p
                   -1 :              -0.00016299544354
                   +0 :              -0.00001928573341
                   +1 :               0.00006595132228
                3d
                   -2 :              -0.00001010345902
                   -1 :               0.00001246651248
                   +0 :               0.00000125138872
                   +1 :              -0.00000671249263
                   +2 :               0.00000822662760
             12 vec=     7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003932621458
                2s
                   +0 :               0.00032378680630
                3s
                   +0 :              -0.00011727006602
                2p
                   -1 :               0.00013985851296
                   +0 :               0.00005821163598
                   +1 :               0.00014571445824
                3p
                   -1 :              -0.00002960657557
                   +0 :              -0.00003338330634
                   +1 :              -0.00005168513505
                3d
                   -2 :              -0.00000540602532
                   -1 :              -0.00000173653412
                   +0 :               0.00000375720679
                   +1 :              -0.00000578284379
                   +2 :              -0.00000227567672
             13 vec=     0.000000     12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002133379974
                2s
                   +0 :              -0.00019379284283
                3s
                   +0 :               0.00005657498215
                2p
                   -1 :              -0.00013167070025
                   +0 :               0.00008000764345
                   +1 :               0.00003803132206
                3p
                   -1 :               0.00003684702018
                   +0 :              -0.00004706885008
                   +1 :              -0.00004969003525
                3d
                   -2 :              -0.00000641994598
                   -1 :              -0.00000305015766
                   +0 :              -0.00000099098384
                   +1 :               0.00000169048118
                   +2 :               0.00000336398869
             14 vec=     0.000000     12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001258478733
                2s
                   +0 :               0.00015320723715
                3s
                   +0 :              -0.00001021290725
                2p
                   -1 :               0.00011324114872
                   +0 :               0.00006661142849
                   +1 :               0.00001785596225
                3p
                   -1 :              -0.00002395574133
                   +0 :              -0.00001902929685
                   +1 :              -0.00002685390878
                3d
                   -2 :              -0.00000353834522
                   -1 :              -0.00000144634992
                   +0 :               0.00000603203456
                   +1 :              -0.00000030942390
                   +2 :               0.00000102084889
             15 vec=    -7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001728587849
                2s
                   +0 :              -0.00012236246740
                3s
                   +0 :               0.00005665210810
                2p
                   -1 :               0.00016011331325
                   +0 :               0.00002555049490
                   +1 :               0.00001889566571
                3p
                   -1 :              -0.00009056333213
                   +0 :              -0.00004140269584
                   +1 :              -0.00002703304219
                3d
                   -2 :              -0.00000044147800
                   -1 :               0.00000596366030
                   +0 :               0.00000537762724
                   +1 :               0.00000063161680
                   +2 :              -0.00000087086609
             16 vec=    -7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001768307148
                2s
                   +0 :               0.00016937008058
                3s
                   +0 :              -0.00004491987673
                2p
                   -1 :              -0.00008988801670
                   +0 :               0.00002330432470
                   +1 :              -0.00003880063824
                3p
                   -1 :               0.00004034420626
                   +0 :               0.00000591602499
                   +1 :               0.00002710344978
                3d
                   -2 :              -0.00000015228066
                   -1 :              -0.00000285332315
                   +0 :               0.00000748767090
                   +1 :              -0.00000074374069
                   +2 :              -0.00000151177916
             17 vec=     7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000707182041
                2s
                   +0 :              -0.00006556196868
                3s
                   +0 :               0.00003554375278
                2p
                   -1 :               0.00000044530704
                   +0 :               0.00001510694290
                   +1 :              -0.00007184300410
                3p
                   -1 :               0.00001565652143
                   +0 :              -0.00001822675558
                   +1 :               0.00007868582144
                3d
                   -2 :              -0.00000792768340
                   -1 :               0.00000317168837
                   +0 :              -0.00000452491631
                   +1 :              -0.00000988136102
                   +2 :               0.00000601803246
             18 vec=     7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002415594432
                2s
                   +0 :               0.00012819352860
                3s
                   +0 :              -0.00009695507457
                2p
                   -1 :              -0.00010917463167
                   +0 :               0.00003889144344
                   +1 :               0.00007449473608
                3p
                   -1 :               0.00009027726643
                   +0 :              -0.00005574336585
                   +1 :              -0.00003134271807
                3d
                   -2 :              -0.00000562149989
                   -1 :               0.00001302771619
                   +0 :              -0.00000252974816
                   +1 :               0.00000627348428
                   +2 :              -0.00000043658055
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al(  1)  npairs=  15
              1 vec=    -2.593388      1.739555     10.693237   |vec|=   11.139884
                2s
                   +0 :              -0.00019461110046
                2p
                   -1 :               0.00017727393790
                   +0 :              -0.00013583747397
                   +1 :               0.00003614705766
                3s
                   +0 :               0.00151499431641
                4s
                   +0 :              -0.00085850751943
                3p
                   -1 :              -0.00054556979518
                   +0 :               0.00200050169198
                   +1 :              -0.00112785367675
                4p
                   -1 :               0.00013354591377
                   +0 :              -0.00078442894377
                   +1 :              -0.00007799749212
                3d
                   -2 :              -0.00021635040759
                   -1 :               0.00002673310797
                   +0 :               0.00064809164751
                   +1 :              -0.00053070941679
                   +2 :              -0.00019099061441
              2 vec=     5.186775     -2.752324     10.693237   |vec|=   12.199313
                2s
                   +0 :              -0.00020025774463
                2p
                   -1 :              -0.00018213155248
                   +0 :              -0.00003193993286
                   +1 :              -0.00021027177255
                3s
                   +0 :               0.00085374938835
                4s
                   +0 :              -0.00004024255419
                3p
                   -1 :               0.00082006136206
                   +0 :               0.00045300772403
                   +1 :               0.00107724669787
                4p
                   -1 :              -0.00031733189763
                   +0 :               0.00001647671997
                   +1 :              -0.00013830745941
                3d
                   -2 :               0.00027540187474
                   -1 :               0.00016355253228
                   +0 :               0.00004385680011
                   +1 :               0.00011498064666
                   +2 :              -0.00012237864983
              3 vec=    -2.593388     -7.244203     10.693237   |vec|=   13.173817
                2s
                   +0 :              -0.00020202646310
                2p
                   -1 :               0.00022326328461
                   +0 :              -0.00015875321090
                   +1 :               0.00006103133445
                3s
                   +0 :              -0.00070260730911
                4s
                   +0 :              -0.00002385380467
                3p
                   -1 :              -0.00005931915024
                   +0 :              -0.00019826118120
                   +1 :              -0.00022086224129
                4p
                   -1 :               0.00017030873981
                   +0 :              -0.00010061625212
                   +1 :               0.00005019402509
                3d
                   -2 :               0.00000189208466
                   -1 :               0.00016941618299
                   +0 :               0.00004097857885
                   +1 :               0.00001457255360
                   +2 :               0.00013786205323
              4 vec=     5.186775      6.231434     10.693237   |vec|=   13.419341
                2s
                   +0 :              -0.00000451036099
                2p
                   -1 :               0.00001252152540
                   +0 :              -0.00002584471494
                   +1 :              -0.00018610573790
                3s
                   +0 :              -0.00019654929821
                4s
                   +0 :               0.00008368799924
                3p
                   -1 :              -0.00002188441879
                   +0 :              -0.00001861321300
                   +1 :               0.00084635270830
                4p
                   -1 :              -0.00009007958313
                   +0 :              -0.00000930149834
                   +1 :              -0.00022713488576
                3d
                   -2 :              -0.00003428613261
                   -1 :              -0.00012119211153
                   +0 :               0.00002466584421
                   +1 :               0.00017625466404
                   +2 :              -0.00003090902646
              5 vec=    -2.593388      1.739555    -13.854306   |vec|=   14.201883
                2s
                   +0 :              -0.00010223494252
                2p
                   -1 :               0.00000915666456
                   +0 :              -0.00002381553110
                   +1 :               0.00006814698169
                3s
                   +0 :               0.00011795086958
                4s
                   +0 :              -0.00000327092920
                3p
                   -1 :              -0.00004448589780
                   +0 :               0.00019291214693
                   +1 :              -0.00034301948773
                4p
                   -1 :               0.00002181288549
                   +0 :              -0.00008603159163
                   +1 :               0.00011103064689
                3d
                   -2 :               0.00001066416250
                   -1 :              -0.00000823584894
                   +0 :              -0.00003287493211
                   +1 :              -0.00003634009923
                   +2 :              -0.00002031852585
              6 vec=     5.186775     -2.752324    -13.854306   |vec|=   15.047249
                2s
                   +0 :               0.00004082921484
                2p
                   -1 :               0.00000519479104
                   +0 :              -0.00000814497931
                   +1 :              -0.00001683997307
                3s
                   +0 :              -0.00017606526277
                4s
                   +0 :              -0.00000945316715
                3p
                   -1 :              -0.00002179992323
                   +0 :               0.00008566692613
                   +1 :              -0.00004696769354
                4p
                   -1 :               0.00003252233883
                   +0 :               0.00000709030311
                   +1 :              -0.00002216944992
                3d
                   -2 :               0.00000545038442
                   -1 :               0.00001045837912
                   +0 :              -0.00001310127220
                   +1 :               0.00001770671252
                   +2 :              -0.00006192760443
              7 vec=   -10.373550     -2.752324     10.693237   |vec|=   15.150285
                2s
                   +0 :              -0.00010542309080
                2p
                   -1 :               0.00002565493450
                   +0 :              -0.00004851773576
                   +1 :               0.00001370081265
                3s
                   +0 :               0.00019914677865
                4s
                   +0 :              -0.00005630728737
                3p
                   -1 :              -0.00013617571196
                   +0 :               0.00023136595292
                   +1 :               0.00003972002565
                4p
                   -1 :              -0.00001455696322
                   +0 :              -0.00005247230277
                   +1 :              -0.00001780708262
                3d
                   -2 :               0.00004305681826
                   -1 :              -0.00004695705973
                   +0 :               0.00003933611317
                   +1 :              -0.00003255852899
                   +2 :               0.00005011356895
              8 vec=    -2.593388     10.723313     10.693237   |vec|=   15.364258
                2s
                   +0 :               0.00011408781081
                2p
                   -1 :               0.00000499876238
                   +0 :               0.00005134875428
                   +1 :              -0.00000005034293
                3s
                   +0 :              -0.00036796412360
                4s
                   +0 :               0.00014158901409
                3p
                   -1 :              -0.00004873505673
                   +0 :              -0.00023360087449
                   +1 :              -0.00003776759821
                4p
                   -1 :               0.00001976375150
                   +0 :               0.00006961613950
                   +1 :              -0.00000685775641
                3d
                   -2 :              -0.00001482156657
                   -1 :               0.00002157248569
                   +0 :              -0.00004966099353
                   +1 :              -0.00001309599471
                   +2 :              -0.00005294280181
              9 vec=    -2.593388     -7.244203    -13.854306   |vec|=   15.847584
                2s
                   +0 :              -0.00001944017493
                2p
                   -1 :               0.00000245367699
                   +0 :              -0.00006331196233
                   +1 :               0.00000651227138
                3s
                   +0 :               0.00013411995604
                4s
                   +0 :               0.00003672499026
                3p
                   -1 :              -0.00011234381505
                   +0 :               0.00039585002439
                   +1 :              -0.00015543872817
                4p
                   -1 :               0.00000616275733
                   +0 :              -0.00015165949841
                   +1 :              -0.00000753038381
                3d
                   -2 :               0.00008542689100
                   -1 :              -0.00002535053671
                   +0 :              -0.00011230802691
                   +1 :               0.00000920797106
                   +2 :               0.00001675905232
             10 vec=     5.186775      6.231434    -13.854306   |vec|=   16.052264
                2s
                   +0 :               0.00007041519315
                2p
                   -1 :              -0.00001473310489
                   +0 :              -0.00004517516932
                   +1 :               0.00004044816197
                3s
                   +0 :               0.00000259330287
                4s
                   +0 :               0.00002627448115
                3p
                   -1 :               0.00030974209141
                   +0 :               0.00015030317701
                   +1 :              -0.00016221928074
                4p
                   -1 :              -0.00003780590628
                   +0 :              -0.00001742880196
                   +1 :              -0.00000191766493
                3d
                   -2 :               0.00001409877281
                   -1 :               0.00004026234072
                   +0 :              -0.00006587148387
                   +1 :              -0.00001235705090
                   +2 :              -0.00006393848771
             11 vec=   -10.373550      6.231434     10.693237   |vec|=   16.148889
                2s
                   +0 :              -0.00024247776298
                2p
                   -1 :              -0.00005889824251
                   +0 :              -0.00012173120548
                   +1 :               0.00011752227645
                3s
                   +0 :               0.00076396586804
                4s
                   +0 :              -0.00023200085598
                3p
                   -1 :               0.00028750931386
                   +0 :               0.00056353786406
                   +1 :              -0.00051387127302
                4p
                   -1 :              -0.00005935913521
                   +0 :              -0.00014441860506
                   +1 :               0.00010000958824
                3d
                   -2 :              -0.00002600479173
                   -1 :               0.00007644337128
                   +0 :               0.00003848573714
                   +1 :              -0.00010467577055
                   +2 :              -0.00001526392720
             12 vec=     5.186775    -11.736082     10.693237   |vec|=   16.702801
                2s
                   +0 :              -0.00003971472137
                2p
                   -1 :               0.00001326180827
                   +0 :              -0.00002615816513
                   +1 :              -0.00001818308648
                3s
                   +0 :               0.00029344671691
                4s
                   +0 :              -0.00003252292800
                3p
                   -1 :              -0.00013469932687
                   +0 :               0.00021855027919
                   +1 :               0.00008891004855
                4p
                   -1 :               0.00000249912982
                   +0 :              -0.00002424020878
                   +1 :              -0.00002497903357
                3d
                   -2 :              -0.00003094246471
                   -1 :              -0.00004867718282
                   +0 :               0.00001430530895
                   +1 :               0.00003108163324
                   +2 :              -0.00001799187729
             13 vec=    12.966938      1.739555     10.693237   |vec|=   16.897125
                2s
                   +0 :              -0.00014173747467
                2p
                   -1 :              -0.00003702621187
                   +0 :              -0.00004126010963
                   +1 :              -0.00004093106730
                3s
                   +0 :               0.00069912641216
                4s
                   +0 :              -0.00019270438082
                3p
                   -1 :               0.00022765108652
                   +0 :               0.00033292529328
                   +1 :               0.00028260951487
                4p
                   -1 :              -0.00003458944086
                   +0 :              -0.00006438314869
                   +1 :              -0.00004764503497
                3d
                   -2 :               0.00001474836526
                   -1 :               0.00004890659913
                   +0 :               0.00003787394741
                   +1 :               0.00007604696120
                   +2 :               0.00003681065629
             14 vec=   -10.373550     -2.752324    -13.854306   |vec|=   17.525057
                2s
                   +0 :               0.00006543165924
                2p
                   -1 :              -0.00002915769470
                   +0 :              -0.00000591482674
                   +1 :              -0.00001695065073
                3s
                   +0 :              -0.00040186265076
                4s
                   +0 :               0.00005961684896
                3p
                   -1 :               0.00023999088228
                   +0 :               0.00007381661851
                   +1 :               0.00020437784644
                4p
                   -1 :              -0.00002822247920
                   +0 :              -0.00001876033301
                   +1 :              -0.00000740405113
                3d
                   -2 :              -0.00007951637412
                   -1 :              -0.00002484854042
                   +0 :               0.00004516384827
                   +1 :              -0.00001021830113
                   +2 :               0.00001457617814
             15 vec=    -2.593388     10.723313    -13.854306   |vec|=   17.710361
                2s
                   +0 :              -0.00009584691835
                2p
                   -1 :              -0.00006399485042
                   +0 :              -0.00000160689421
                   +1 :               0.00000582912915
                3s
                   +0 :               0.00029868266495
                4s
                   +0 :              -0.00006417607499
                3p
                   -1 :               0.00030267705154
                   +0 :               0.00004095411674
                   +1 :              -0.00004275387633
                4p
                   -1 :              -0.00004722151978
                   +0 :              -0.00002885528668
                   +1 :               0.00001582023283
                3d
                   -2 :              -0.00002696743712
                   -1 :              -0.00001921696434
                   +0 :              -0.00003215511841
                   +1 :              -0.00000870449283
                   +2 :              -0.00005256636410
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al(  2)  npairs=  13
              1 vec=    -2.593388      1.739555     -6.601980   |vec|=    7.303276
                2s
                   +0 :              -0.00021578933204
                2p
                   -1 :               0.00011493135187
                   +0 :              -0.00059008461254
                   +1 :               0.00014342787826
                3s
                   +0 :               0.00066864785112
                4s
                   +0 :               0.00053584123699
                3p
                   -1 :              -0.00388121075674
                   +0 :              -0.00090636158141
                   +1 :              -0.00076351720849
                4p
                   -1 :               0.00054465519804
                   +0 :              -0.00066847755531
                   +1 :              -0.00082457273234
                3d
                   -2 :               0.00075765021490
                   -1 :               0.00040685517480
                   +0 :               0.00105524825444
                   +1 :               0.00182321625578
                   +2 :               0.00120769539705
              2 vec=     5.186775     -2.752324     -6.601980   |vec|=    8.835387
                2s
                   +0 :              -0.00193375350502
                2p
                   -1 :              -0.00026451106676
                   +0 :               0.00030186553691
                   +1 :              -0.00035612057611
                3s
                   +0 :               0.01789912946333
                4s
                   +0 :              -0.00313880741245
                3p
                   -1 :              -0.00162039308670
                   +0 :              -0.00887947010202
                   +1 :               0.00834978492744
                4p
                   -1 :              -0.00066357711996
                   +0 :               0.00088638139549
                   +1 :              -0.00070387994345
                3d
                   -2 :              -0.00178765943883
                   -1 :               0.00114441593783
                   +0 :               0.00071905185212
                   +1 :              -0.00284576283167
                   +2 :               0.00150830602264
              3 vec=    -2.593388     -7.244203     -6.601980   |vec|=   10.138554
                2s
                   +0 :              -0.00106218018269
                2p
                   -1 :               0.00042890794572
                   +0 :               0.00052250103608
                   +1 :               0.00013204118460
                3s
                   +0 :               0.00392654223337
                4s
                   +0 :              -0.00165697466798
                3p
                   -1 :              -0.00206894168539
                   +0 :              -0.00343195998526
                   +1 :              -0.00109013508416
                4p
                   -1 :               0.00071956668821
                   +0 :               0.00086401389205
                   +1 :               0.00018568293769
                3d
                   -2 :               0.00032598097212
                   -1 :               0.00062239565134
                   +0 :              -0.00014751348988
                   +1 :               0.00030529360348
                   +2 :              -0.00026257231863
              4 vec=     5.186775      6.231434     -6.601980   |vec|=   10.455599
                2s
                   +0 :              -0.00110107372546
                2p
                   -1 :              -0.00048537549853
                   +0 :               0.00018293662297
                   +1 :              -0.00018324127041
                3s
                   +0 :               0.00464188151492
                4s
                   +0 :              -0.00161170715761
                3p
                   -1 :               0.00285128272848
                   +0 :              -0.00190306910266
                   +1 :               0.00134547960013
                4p
                   -1 :              -0.00078854034012
                   +0 :               0.00051937022645
                   +1 :              -0.00039227514461
                3d
                   -2 :               0.00037490334208
                   -1 :              -0.00077255912825
                   +0 :              -0.00002604200681
                   +1 :               0.00009785570267
                   +2 :              -0.00037824605319
              5 vec=   -10.373550     -2.752324     -6.601980   |vec|=   12.600475
                2s
                   +0 :              -0.00024813997720
                2p
                   -1 :               0.00013303437234
                   +0 :               0.00006002819633
                   +1 :               0.00027976320845
                3s
                   +0 :              -0.00010819032568
                4s
                   +0 :              -0.00002574329373
                3p
                   -1 :              -0.00028922197459
                   +0 :               0.00021304868039
                   +1 :              -0.00099632459424
                4p
                   -1 :               0.00007844618804
                   +0 :               0.00002559522613
                   +1 :               0.00033377267494
                3d
                   -2 :               0.00004433276908
                   -1 :               0.00002779540699
                   +0 :              -0.00012852242058
                   +1 :              -0.00002126718087
                   +2 :              -0.00004012046875
              6 vec=    -2.593388     10.723313     -6.601980   |vec|=   12.856953
                2s
                   +0 :               0.00008852292950
                2p
                   -1 :              -0.00007249963740
                   +0 :               0.00016571020374
                   +1 :              -0.00001138905970
                3s
                   +0 :              -0.00074515655742
                4s
                   +0 :               0.00004257170196
                3p
                   -1 :              -0.00005672697059
                   +0 :              -0.00038534986899
                   +1 :               0.00004806822162
                4p
                   -1 :              -0.00006057119433
                   +0 :               0.00011893978643
                   +1 :              -0.00000788696027
                3d
                   -2 :               0.00001213980469
                   -1 :              -0.00010116061902
                   +0 :               0.00020310613400
                   +1 :               0.00002114301125
                   +2 :               0.00018554541923
              7 vec=   -10.373550      6.231434     -6.601980   |vec|=   13.785044
                2s
                   +0 :               0.00001993714195
                2p
                   -1 :               0.00025218917591
                   +0 :               0.00000756059821
                   +1 :               0.00001881291985
                3s
                   +0 :              -0.00057687285766
                4s
                   +0 :               0.00043716463865
                3p
                   -1 :              -0.00129568693405
                   +0 :               0.00009751571809
                   +1 :               0.00047999131589
                4p
                   -1 :               0.00039313315584
                   +0 :              -0.00010595220987
                   +1 :              -0.00036292461543
                3d
                   -2 :               0.00005285160210
                   -1 :               0.00007288448687
                   +0 :               0.00008414196476
                   +1 :               0.00001062162057
                   +2 :              -0.00015833336767
              8 vec=     5.186775    -11.736082     -6.601980   |vec|=   14.429982
                2s
                   +0 :              -0.00012883792900
                2p
                   -1 :              -0.00003860069980
                   +0 :               0.00006633201932
                   +1 :              -0.00008231736112
                3s
                   +0 :               0.00038168815062
                4s
                   +0 :               0.00001519200232
                3p
                   -1 :               0.00036032451358
                   +0 :              -0.00027121264868
                   +1 :               0.00028344353040
                4p
                   -1 :              -0.00021355099702
                   +0 :               0.00001338807233
                   +1 :              -0.00004767668179
                3d
                   -2 :               0.00007922113674
                   -1 :               0.00000487784294
                   +0 :               0.00004623834140
                   +1 :              -0.00010320400835
                   +2 :               0.00010465909922
              9 vec=    12.966938      1.739555     -6.601980   |vec|=   14.654476
                2s
                   +0 :               0.00012013347767
                2p
                   -1 :              -0.00003748049885
                   +0 :              -0.00002893180746
                   +1 :               0.00005954058334
                3s
                   +0 :              -0.00019776915984
                4s
                   +0 :              -0.00004580471624
                3p
                   -1 :               0.00031491165885
                   +0 :               0.00001085844720
                   +1 :              -0.00028535228581
                4p
                   -1 :              -0.00008412249301
                   +0 :               0.00005501633055
                   +1 :               0.00002229480840
                3d
                   -2 :               0.00009565665813
                   -1 :              -0.00005289338350
                   +0 :               0.00007246499475
                   +1 :               0.00006884959887
                   +2 :               0.00000633028792
             10 vec=    12.966938     -7.244203     -6.601980   |vec|=   16.254417
                2s
                   +0 :              -0.00015561070141
                2p
                   -1 :              -0.00000131835760
                   +0 :               0.00004715698848
                   +1 :              -0.00005788170754
                3s
                   +0 :               0.00052415452081
                4s
                   +0 :              -0.00009227622815
                3p
                   -1 :               0.00006398017966
                   +0 :              -0.00022458022022
                   +1 :               0.00023888138149
                4p
                   -1 :              -0.00004902294432
                   +0 :               0.00005514283121
                   +1 :              -0.00002163003345
                3d
                   -2 :               0.00001925749160
                   -1 :               0.00002367879891
                   +0 :               0.00002444401146
                   +1 :              -0.00003020602266
                   +2 :               0.00005819899350
             11 vec=   -10.373550    -11.736082     -6.601980   |vec|=   16.998009
                2s
                   +0 :               0.00006591384271
                2p
                   -1 :              -0.00000543322779
                   +0 :              -0.00002644568855
                   +1 :              -0.00004014160018
                3s
                   +0 :              -0.00037316563358
                4s
                   +0 :               0.00009219667176
                3p
                   -1 :               0.00006156603565
                   +0 :               0.00020053787895
                   +1 :               0.00025333965149
                4p
                   -1 :              -0.00000912500602
                   +0 :              -0.00002972241821
                   +1 :              -0.00004144488979
                3d
                   -2 :              -0.00000260260755
                   -1 :              -0.00001612784978
                   +0 :              -0.00000600963498
                   +1 :              -0.00004719300253
                   +2 :              -0.00005225638471
             12 vec=     5.186775     15.215192     -6.601980   |vec|=   17.377884
                2s
                   +0 :               0.00004784509656
                2p
                   -1 :               0.00002484089995
                   +0 :              -0.00003374001980
                   +1 :               0.00000729554417
                3s
                   +0 :              -0.00012511540111
                4s
                   +0 :               0.00005053124293
                3p
                   -1 :              -0.00008321988179
                   +0 :               0.00015935288061
                   +1 :              -0.00005078475009
                4p
                   -1 :               0.00001771798855
                   +0 :              -0.00004455317579
                   +1 :               0.00001138425052
                3d
                   -2 :               0.00001129255862
                   -1 :               0.00004478441515
                   +0 :              -0.00001097570591
                   +1 :               0.00000750404830
                   +2 :              -0.00001260575435
             13 vec=    -2.593388    -16.227961     -6.601980   |vec|=   17.710407
                2s
                   +0 :              -0.00000506092419
                2p
                   -1 :               0.00001273668312
                   +0 :              -0.00000484800865
                   +1 :               0.00001048258541
                3s
                   +0 :               0.00004653943116
                4s
                   +0 :              -0.00003080779388
                3p
                   -1 :              -0.00011610128186
                   +0 :               0.00001104180468
                   +1 :              -0.00000913792022
                4p
                   -1 :               0.00004831843597
                   +0 :               0.00000345303104
                   +1 :              -0.00001684582025
                3d
                   -2 :              -0.00000894418397
                   -1 :              -0.00000965692320
                   +0 :              -0.00001252612432
                   +1 :               0.00000808717910
                   +2 :              -0.00001612114943
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Cr(  3)  npairs=  14
              1 vec=    -2.593388      1.739555      5.671791   |vec|=    6.474637
                3s
                   +0 :              -0.00323409550896
                3p
                   -1 :              -0.00116129569775
                   +0 :              -0.00011298059462
                   +1 :               0.00029389776650
                4s
                   +0 :               0.00702734134494
                5s
                   +0 :              -0.00185698221096
                3d
                   -2 :              -0.00063369937937
                   -1 :              -0.00070847593387
                   +0 :               0.00244924562720
                   +1 :               0.00033007431290
                   +2 :              -0.00090160908908
                4d
                   -2 :              -0.00096202482512
                   -1 :               0.00056492280254
                   +0 :               0.00299237359344
                   +1 :              -0.00228616723829
                   +2 :               0.00109998007234
                4p
                   -1 :               0.00158166748343
                   +0 :               0.00256546694282
                   +1 :              -0.00107840751217
              2 vec=     5.186775     -2.752324      5.671791   |vec|=    8.163770
                3s
                   +0 :              -0.00162423788156
                3p
                   -1 :               0.00082394960860
                   +0 :               0.00044139734315
                   +1 :              -0.00012112018443
                4s
                   +0 :              -0.00021144269428
                5s
                   +0 :               0.00010910473846
                3d
                   -2 :               0.00233180927197
                   -1 :              -0.00063458204271
                   +0 :               0.00331570147369
                   +1 :               0.00065042996024
                   +2 :              -0.00209137495218
                4d
                   -2 :              -0.00037383520069
                   -1 :              -0.00102415669906
                   +0 :               0.00007213046243
                   +1 :               0.00072725266852
                   +2 :              -0.00010119987129
                4p
                   -1 :              -0.00134612756693
                   +0 :               0.00130037502566
                   +1 :              -0.00104576315693
              3 vec=    -2.593388     -7.244203      5.671791   |vec|=    9.558941
                3s
                   +0 :               0.00139040804512
                3p
                   -1 :              -0.00031342023920
                   +0 :               0.00072162241570
                   +1 :              -0.00100636406437
                4s
                   +0 :              -0.00288836863715
                5s
                   +0 :               0.00049187900738
                3d
                   -2 :              -0.00010332709229
                   -1 :              -0.00004514902352
                   +0 :               0.00063926032300
                   +1 :              -0.00004773387387
                   +2 :              -0.00008938785034
                4d
                   -2 :              -0.00052162987387
                   -1 :               0.00048549066593
                   +0 :               0.00025956502313
                   +1 :               0.00066008505953
                   +2 :               0.00007527717273
                4p
                   -1 :               0.00090715551818
                   +0 :              -0.00100281601020
                   +1 :               0.00186076173555
              4 vec=     5.186775      6.231434      5.671791   |vec|=    9.894576
                3s
                   +0 :              -0.00086389812533
                3p
                   -1 :              -0.00147681305537
                   +0 :               0.00003703471818
                   +1 :               0.00089832881290
                4s
                   +0 :               0.00056510039407
                5s
                   +0 :               0.00032380136675
                3d
                   -2 :               0.00129542844334
                   -1 :              -0.00036900849284
                   +0 :               0.00101938483776
                   +1 :               0.00086803300876
                   +2 :               0.00156333963618
                4d
                   -2 :              -0.00089019305004
                   -1 :              -0.00025371983207
                   +0 :              -0.00076722065800
                   +1 :              -0.00077141382099
                   +2 :              -0.00068139112254
                4p
                   -1 :               0.00240203544337
                   +0 :              -0.00033325425215
                   +1 :              -0.00190782066920
              5 vec=   -10.373550     -2.752324      5.671791   |vec|=   12.138989
                3s
                   +0 :               0.00025982156293
                3p
                   -1 :              -0.00012709055434
                   +0 :               0.00017091323354
                   +1 :              -0.00027651006671
                4s
                   +0 :              -0.00033764137719
                5s
                   +0 :               0.00010235996080
                3d
                   -2 :               0.00033981562791
                   -1 :              -0.00027509843918
                   +0 :              -0.00008391542366
                   +1 :              -0.00066119468138
                   +2 :               0.00041903570838
                4d
                   -2 :              -0.00008300397412
                   -1 :               0.00008324013246
                   +0 :               0.00000528853901
                   +1 :               0.00019248976701
                   +2 :              -0.00002552517809
                4p
                   -1 :               0.00000928966013
                   +0 :              -0.00010863489349
                   +1 :               0.00021738539114
              6 vec=    -2.593388     10.723313      5.671791   |vec|=   12.405012
                3s
                   +0 :              -0.00042487226456
                3p
                   -1 :              -0.00034376339752
                   +0 :              -0.00020176742358
                   +1 :              -0.00003611058983
                4s
                   +0 :               0.00101256337859
                5s
                   +0 :              -0.00002281179686
                3d
                   -2 :              -0.00004623731411
                   -1 :              -0.00027023948260
                   +0 :              -0.00046496777951
                   +1 :              -0.00005115866632
                   +2 :              -0.00025215974186
                4d
                   -2 :               0.00000184776361
                   -1 :               0.00047878425010
                   +0 :               0.00001097896165
                   +1 :              -0.00001194511903
                   +2 :              -0.00033201423590
                4p
                   -1 :               0.00092963014283
                   +0 :               0.00037972950156
                   +1 :               0.00004803018427
              7 vec=   -10.373550      6.231434      5.671791   |vec|=   13.364525
                3s
                   +0 :               0.00036694617056
                3p
                   -1 :              -0.00004722620398
                   +0 :              -0.00003723904037
                   +1 :              -0.00005210316820
                4s
                   +0 :              -0.00076798145772
                5s
                   +0 :               0.00011117970070
                3d
                   -2 :               0.00017149267665
                   -1 :               0.00006531770698
                   +0 :              -0.00008051638124
                   +1 :               0.00015187795694
                   +2 :              -0.00001610917111
                4d
                   -2 :              -0.00013226120060
                   -1 :               0.00019233088305
                   +0 :               0.00009080802143
                   +1 :              -0.00000796989555
                   +2 :              -0.00025171146788
                4p
                   -1 :               0.00010994704223
                   +0 :               0.00001721798912
                   +1 :               0.00020576989523
              8 vec=     5.186775    -11.736082      5.671791   |vec|=   14.028809
                3s
                   +0 :               0.00034714953592
                3p
                   -1 :               0.00002430684401
                   +0 :               0.00004301495908
                   +1 :               0.00016732869446
                4s
                   +0 :              -0.00071968298076
                5s
                   +0 :               0.00004948540466
                3d
                   -2 :              -0.00014448915417
                   -1 :              -0.00007987858842
                   +0 :              -0.00000702296340
                   +1 :               0.00012722998942
                   +2 :               0.00000355238218
                4d
                   -2 :               0.00007503933324
                   -1 :              -0.00005659912297
                   +0 :               0.00000444577706
                   +1 :              -0.00012760429343
                   +2 :              -0.00012787157217
                4p
                   -1 :              -0.00003121073218
                   +0 :              -0.00008612663181
                   +1 :              -0.00033152036844
              9 vec=    12.966938      1.739555      5.671791   |vec|=   14.259619
                3s
                   +0 :              -0.00012762924893
                3p
                   -1 :              -0.00003107342473
                   +0 :              -0.00012656887999
                   +1 :              -0.00014376053740
                4s
                   +0 :               0.00033910911237
                5s
                   +0 :              -0.00008896403728
                3d
                   -2 :               0.00017593890579
                   -1 :               0.00012588557383
                   +0 :              -0.00012471777211
                   +1 :              -0.00013760284170
                   +2 :               0.00001489620770
                4d
                   -2 :              -0.00004525362428
                   -1 :               0.00009703388880
                   +0 :              -0.00009837995035
                   +1 :               0.00013524669156
                   +2 :               0.00018503317285
                4p
                   -1 :               0.00007183047342
                   +0 :               0.00017238470982
                   +1 :               0.00035365357319
             10 vec=    12.966938     -7.244203      5.671791   |vec|=   15.899345
                3s
                   +0 :              -0.00033684441948
                3p
                   -1 :               0.00009564514855
                   +0 :              -0.00009020822042
                   +1 :              -0.00020473089486
                4s
                   +0 :               0.00066896071076
                5s
                   +0 :              -0.00004701401320
                3d
                   -2 :               0.00021302315101
                   -1 :               0.00008282307207
                   +0 :               0.00003084693082
                   +1 :              -0.00024665107022
                   +2 :              -0.00007855447045
                4d
                   -2 :              -0.00016500895215
                   -1 :              -0.00006115852048
                   +0 :              -0.00006879434976
                   +1 :               0.00015193009550
                   +2 :               0.00006858121298
                4p
                   -1 :              -0.00022528052408
                   +0 :               0.00016622993257
                   +1 :               0.00041875101231
             11 vec=   -10.373550    -11.736082      5.671791   |vec|=   16.658793
                3s
                   +0 :               0.00008124337377
                3p
                   -1 :              -0.00000709636866
                   +0 :               0.00000572091702
                   +1 :              -0.00002353610686
                4s
                   +0 :              -0.00002631592314
                5s
                   +0 :              -0.00000671900389
                3d
                   -2 :               0.00011760593275
                   -1 :              -0.00001970658226
                   +0 :              -0.00007805219462
                   +1 :              -0.00015252812096
                   +2 :               0.00015438263406
                4d
                   -2 :               0.00003787716252
                   -1 :              -0.00001234321366
                   +0 :              -0.00000903575777
                   +1 :               0.00001462600165
                   +2 :              -0.00001411018010
                4p
                   -1 :              -0.00003009466472
                   +0 :              -0.00000045088929
                   +1 :              -0.00004010657925
             12 vec=     5.186775     15.215192      5.671791   |vec|=   17.046229
                3s
                   +0 :              -0.00007874057504
                3p
                   -1 :              -0.00006406093249
                   +0 :              -0.00006824689448
                   +1 :              -0.00002037223966
                4s
                   +0 :               0.00024323105907
                5s
                   +0 :              -0.00003997781443
                3d
                   -2 :              -0.00007867908607
                   -1 :              -0.00015668443094
                   +0 :              -0.00000866963557
                   +1 :              -0.00002285846043
                   +2 :               0.00010700304180
                4d
                   -2 :               0.00002682678252
                   -1 :               0.00016002619004
                   +0 :               0.00003115193288
                   +1 :               0.00001556313398
                   +2 :              -0.00008864497359
                4p
                   -1 :               0.00015991905478
                   +0 :               0.00015937867808
                   +1 :               0.00005616136452
             13 vec=    -2.593388    -16.227961      5.671791   |vec|=   17.385097
                3s
                   +0 :              -0.00001309153975
                3p
                   -1 :               0.00000213317695
                   +0 :               0.00001199858230
                   +1 :               0.00002449980034
                4s
                   +0 :               0.00000185167832
                5s
                   +0 :               0.00000537597458
                3d
                   -2 :              -0.00004287307192
                   -1 :              -0.00003432675835
                   +0 :              -0.00003412615696
                   +1 :               0.00009688607946
                   +2 :              -0.00000816753666
                4d
                   -2 :              -0.00000704884730
                   -1 :               0.00000433675283
                   +0 :               0.00001692312025
                   +1 :              -0.00000761744907
                   +2 :               0.00000310608491
                4p
                   -1 :               0.00000751997953
                   +0 :              -0.00002034702252
                   +1 :              -0.00002372625147
             14 vec=    12.966938     10.723313      5.671791   |vec|=   17.756693
                3s
                   +0 :              -0.00004337273030
                3p
                   -1 :              -0.00008625602352
                   +0 :               0.00002988547284
                   +1 :               0.00002711114606
                4s
                   +0 :               0.00002377480195
                5s
                   +0 :               0.00000389044936
                3d
                   -2 :              -0.00006796507413
                   -1 :              -0.00013566486953
                   +0 :              -0.00002407996216
                   +1 :               0.00007419926792
                   +2 :               0.00012198109465
                4d
                   -2 :               0.00005907327069
                   -1 :               0.00004692427274
                   +0 :               0.00002609495959
                   +1 :              -0.00005005009589
                   +2 :              -0.00005432996549
                4p
                   -1 :               0.00011061651138
                   +0 :              -0.00004715989838
                   +1 :              -0.00006202073812
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al(  4)  npairs=  14
              1 vec=    -2.593388      1.739555     -1.580534   |vec|=    3.499971
                2s
                   +0 :              -0.03796914697590
                2p
                   -1 :              -0.02218784575223
                   +0 :               0.02366463987609
                   +1 :               0.02800042625476
                3s
                   +0 :              -0.08098450878436
                4s
                   +0 :              -0.01607551494931
                3p
                   -1 :              -0.05640209414711
                   +0 :               0.04370833196238
                   +1 :               0.02344841591335
                4p
                   -1 :              -0.00868911169946
                   +0 :               0.01121726023166
                   +1 :               0.01896083218437
                3d
                   -2 :               0.03500168526364
                   -1 :               0.03506869611017
                   +0 :              -0.00446099175972
                   +1 :              -0.03516951126069
                   +2 :               0.00651739056553
              2 vec=     5.186775     -2.752324     -1.580534   |vec|=    6.080790
                2s
                   +0 :              -0.00352071838343
                2p
                   -1 :               0.00171243383330
                   +0 :               0.00166915703793
                   +1 :              -0.00148593904579
                3s
                   +0 :               0.00289514491172
                4s
                   +0 :              -0.00474426317056
                3p
                   -1 :              -0.00837526215897
                   +0 :              -0.00910460749136
                   +1 :               0.00284976372581
                4p
                   -1 :               0.00318366035114
                   +0 :               0.00318763888560
                   +1 :              -0.00124519592671
                3d
                   -2 :              -0.00443986518987
                   -1 :               0.00153011260017
                   +0 :              -0.00272374560806
                   +1 :              -0.00262369514389
                   +2 :               0.00196177100151
              3 vec=    -2.593388     -7.244203     -1.580534   |vec|=    7.855076
                2s
                   +0 :              -0.00014077928079
                2p
                   -1 :              -0.00025791500752
                   +0 :              -0.00077672381891
                   +1 :               0.00016265222236
                3s
                   +0 :              -0.01002807771274
                4s
                   +0 :               0.00015704428047
                3p
                   -1 :               0.00709467042008
                   +0 :               0.00933481954166
                   +1 :              -0.00147375909747
                4p
                   -1 :               0.00003858265479
                   +0 :              -0.00090671328131
                   +1 :              -0.00013069653345
                3d
                   -2 :               0.00082965444316
                   -1 :              -0.00400859644442
                   +0 :              -0.00041868431662
                   +1 :              -0.00030757057279
                   +2 :               0.00169181881552
              4 vec=     5.186775      6.231434     -1.580534   |vec|=    8.260236
                2s
                   +0 :              -0.00053805431018
                2p
                   -1 :               0.00092505837600
                   +0 :               0.00053184838897
                   +1 :              -0.00038598168766
                3s
                   +0 :               0.00466058109998
                4s
                   +0 :              -0.00135020322971
                3p
                   -1 :              -0.00724352846852
                   +0 :              -0.00537165117867
                   +1 :               0.00383599155693
                4p
                   -1 :               0.00104471280635
                   +0 :               0.00107111331476
                   +1 :              -0.00098725384648
                3d
                   -2 :              -0.00239349179903
                   -1 :               0.00140055534954
                   +0 :               0.00091383461376
                   +1 :              -0.00185090775854
                   +2 :               0.00189443254105
              5 vec=   -10.373550     -2.752324     -1.580534   |vec|=   10.848222
                2s
                   +0 :               0.00044568659755
                2p
                   -1 :               0.00021315851201
                   +0 :               0.00013919320139
                   +1 :              -0.00048402954846
                3s
                   +0 :              -0.00197786981100
                4s
                   +0 :               0.00033955869937
                3p
                   -1 :              -0.00083081226180
                   +0 :              -0.00000071840127
                   +1 :               0.00236096422579
                4p
                   -1 :               0.00028388094703
                   +0 :              -0.00000293833287
                   +1 :              -0.00042950682372
                3d
                   -2 :               0.00033246547711
                   -1 :              -0.00014782793919
                   +0 :               0.00020307280828
                   +1 :              -0.00019678715071
                   +2 :              -0.00093555138615
              6 vec=    -2.593388     10.723313     -1.580534   |vec|=   11.145097
                2s
                   +0 :              -0.00041325185312
                2p
                   -1 :              -0.00000768644649
                   +0 :              -0.00019334124782
                   +1 :               0.00008127644427
                3s
                   +0 :               0.00192616314703
                4s
                   +0 :               0.00017260317530
                3p
                   -1 :               0.00007233359741
                   +0 :               0.00054127797416
                   +1 :              -0.00115213298439
                4p
                   -1 :               0.00027805812191
                   +0 :              -0.00018309763901
                   +1 :               0.00003791961518
                3d
                   -2 :              -0.00080946085888
                   -1 :               0.00038245600024
                   +0 :               0.00026623433668
                   +1 :               0.00043532755513
                   +2 :               0.00021786285380
              7 vec=   -10.373550      6.231434     -1.580534   |vec|=   12.204073
                2s
                   +0 :               0.00018787704774
                2p
                   -1 :               0.00017720209265
                   +0 :               0.00001319994572
                   +1 :               0.00001125195873
                3s
                   +0 :              -0.00112126692948
                4s
                   +0 :               0.00005684312700
                3p
                   -1 :              -0.00103181761039
                   +0 :               0.00033713541666
                   +1 :               0.00045950225381
                4p
                   -1 :               0.00035889768651
                   +0 :               0.00007294817196
                   +1 :               0.00007206814551
                3d
                   -2 :               0.00012314580333
                   -1 :              -0.00001595682633
                   +0 :               0.00009247699172
                   +1 :              -0.00013899306936
                   +2 :              -0.00013868007639
              8 vec=     5.186775    -11.736082     -1.580534   |vec|=   12.928122
                2s
                   +0 :               0.00007701409369
                2p
                   -1 :              -0.00007561449610
                   +0 :              -0.00013027443219
                   +1 :              -0.00000539188949
                3s
                   +0 :               0.00084542328960
                4s
                   +0 :              -0.00008811841776
                3p
                   -1 :              -0.00044862771365
                   +0 :              -0.00004158059508
                   +1 :              -0.00048245160326
                4p
                   -1 :               0.00003831467105
                   +0 :              -0.00012610455255
                   +1 :               0.00000878169049
                3d
                   -2 :               0.00025758483814
                   -1 :               0.00017248968935
                   +0 :               0.00017845540856
                   +1 :               0.00014389778906
                   +2 :              -0.00011200206136
              9 vec=    12.966938      1.739555     -1.580534   |vec|=   13.178225
                2s
                   +0 :              -0.00006805966181
                2p
                   -1 :               0.00016112353165
                   +0 :               0.00008553985985
                   +1 :               0.00002368273074
                3s
                   +0 :               0.00258619302695
                4s
                   +0 :              -0.00005330577923
                3p
                   -1 :               0.00058037135359
                   +0 :              -0.00231049282695
                   +1 :               0.00108813961065
                4p
                   -1 :               0.00012791504282
                   +0 :               0.00033117297808
                   +1 :               0.00009816552672
                3d
                   -2 :               0.00038108109346
                   -1 :              -0.00048187647963
                   +0 :               0.00023922671812
                   +1 :              -0.00085205228256
                   +2 :               0.00004120003388
             10 vec=    12.966938     -7.244203     -1.580534   |vec|=   14.937136
                2s
                   +0 :              -0.00016232393878
                2p
                   -1 :              -0.00000174057584
                   +0 :              -0.00001972397122
                   +1 :               0.00000103029590
                3s
                   +0 :               0.00081169249801
                4s
                   +0 :              -0.00013571466033
                3p
                   -1 :              -0.00001014265922
                   +0 :              -0.00006061214749
                   +1 :               0.00000006498058
                4p
                   -1 :              -0.00003783375208
                   +0 :              -0.00005059203456
                   +1 :               0.00001629381092
                3d
                   -2 :               0.00005480321822
                   -1 :               0.00004279333439
                   +0 :               0.00003332949175
                   +1 :               0.00005118323788
                   +2 :              -0.00000837845109
             11 vec=   -10.373550    -11.736082     -1.580534   |vec|=   15.743070
                2s
                   +0 :               0.00006378797990
                2p
                   -1 :              -0.00000085806575
                   +0 :              -0.00000671097122
                   +1 :              -0.00004173940490
                3s
                   +0 :              -0.00027030762469
                4s
                   +0 :               0.00009979091505
                3p
                   -1 :               0.00008126996145
                   +0 :               0.00007874402098
                   +1 :               0.00027107187768
                4p
                   -1 :              -0.00002756332290
                   +0 :              -0.00002568293819
                   +1 :              -0.00007671838649
                3d
                   -2 :              -0.00006768911620
                   -1 :              -0.00000441128951
                   +0 :               0.00004289154796
                   +1 :               0.00000920155559
                   +2 :              -0.00003090071998
             12 vec=     5.186775     15.215192     -1.580534   |vec|=   16.152486
                2s
                   +0 :               0.00002467782768
                2p
                   -1 :               0.00001208253224
                   +0 :               0.00000032560069
                   +1 :               0.00001382562612
                3s
                   +0 :              -0.00023634954022
                4s
                   +0 :               0.00012669674637
                3p
                   -1 :              -0.00017184716401
                   +0 :               0.00005189960371
                   +1 :              -0.00015282255742
                4p
                   -1 :               0.00011530248591
                   +0 :              -0.00003323817638
                   +1 :               0.00001754767778
                3d
                   -2 :               0.00002809247475
                   -1 :              -0.00003557583016
                   +0 :              -0.00003650441611
                   +1 :               0.00003696778280
                   +2 :              -0.00002494613421
             13 vec=    -2.593388    -16.227961     -1.580534   |vec|=   16.509708
                2s
                   +0 :              -0.00004748452679
                2p
                   -1 :               0.00001723345100
                   +0 :              -0.00001719290541
                   +1 :              -0.00001492312382
                3s
                   +0 :               0.00030774733564
                4s
                   +0 :              -0.00005131755805
                3p
                   -1 :              -0.00022044348589
                   +0 :               0.00001446086965
                   +1 :               0.00007831449860
                4p
                   -1 :               0.00002611580851
                   +0 :              -0.00003192538370
                   +1 :               0.00000050144567
                3d
                   -2 :              -0.00001195199019
                   -1 :               0.00004225492270
                   +0 :              -0.00000399963439
                   +1 :              -0.00002314589790
                   +2 :              -0.00002926577655
             14 vec=    12.966938     10.723313     -1.580534   |vec|=   16.900562
                2s
                   +0 :              -0.00004435031930
                2p
                   -1 :               0.00001499855164
                   +0 :              -0.00000731979217
                   +1 :              -0.00002791805898
                3s
                   +0 :               0.00035885353759
                4s
                   +0 :              -0.00011236761120
                3p
                   -1 :              -0.00002566911933
                   +0 :              -0.00006250854972
                   +1 :               0.00027239412544
                4p
                   -1 :               0.00000393235755
                   +0 :              -0.00000485993859
                   +1 :              -0.00007339259705
                3d
                   -2 :              -0.00000784912505
                   -1 :               0.00000435366927
                   +0 :              -0.00001254591385
                   +1 :              -0.00004705334780
                   +2 :               0.00005449936659
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al(  5)  npairs=  14
              1 vec=     2.593388      1.739555     -5.671873   |vec|=    6.474709
                2s
                   +0 :              -0.00217075386014
                2p
                   -1 :              -0.00087669664427
                   +0 :               0.00176955761313
                   +1 :              -0.00017704143376
                3s
                   +0 :               0.00622128684722
                4s
                   +0 :              -0.00460853777067
                3p
                   -1 :               0.00419492756018
                   +0 :              -0.01264424715795
                   +1 :               0.00095497499196
                4p
                   -1 :              -0.00107599048657
                   +0 :               0.00526725520445
                   +1 :              -0.00074184963310
                3d
                   -2 :               0.00140216442934
                   -1 :               0.00041340009784
                   +0 :               0.00315842237791
                   +1 :              -0.00205701824354
                   +2 :               0.00108850373129
              2 vec=    -5.186775     -2.752324     -5.671873   |vec|=    8.163827
                2s
                   +0 :              -0.00050467816249
                2p
                   -1 :               0.00050904392981
                   +0 :              -0.00018622682658
                   +1 :              -0.00020362959293
                3s
                   +0 :              -0.00468921522782
                4s
                   +0 :               0.00029258748407
                3p
                   -1 :              -0.00088757597073
                   +0 :              -0.00088322801598
                   +1 :               0.00491237824602
                4p
                   -1 :               0.00065681778154
                   +0 :              -0.00019131969807
                   +1 :              -0.00020799357751
                3d
                   -2 :              -0.00136517908019
                   -1 :               0.00089445579526
                   +0 :               0.00196137488664
                   +1 :               0.00042955353390
                   +2 :              -0.00114086136379
              3 vec=     2.593388     -7.244203     -5.671873   |vec|=    9.558990
                2s
                   +0 :               0.00067079966483
                2p
                   -1 :              -0.00035220505782
                   +0 :              -0.00045467309533
                   +1 :               0.00075915561296
                3s
                   +0 :              -0.00223454580651
                4s
                   +0 :               0.00080859608012
                3p
                   -1 :               0.00239314078678
                   +0 :               0.00138806503757
                   +1 :              -0.00313620313568
                4p
                   -1 :              -0.00079360164079
                   +0 :              -0.00027375831343
                   +1 :               0.00051565668008
                3d
                   -2 :               0.00041922618674
                   -1 :              -0.00034361347738
                   +0 :               0.00033534846567
                   +1 :               0.00036557981324
                   +2 :              -0.00003337793426
              4 vec=    -5.186775      6.231434     -5.671873   |vec|=    9.894622
                2s
                   +0 :              -0.00134148129487
                2p
                   -1 :              -0.00115664962811
                   +0 :              -0.00040910905502
                   +1 :              -0.00078800941423
                3s
                   +0 :               0.00338535456093
                4s
                   +0 :              -0.00069226416978
                3p
                   -1 :               0.00480323124706
                   +0 :               0.00300916723534
                   +1 :               0.00409898801782
                4p
                   -1 :              -0.00062162968344
                   +0 :              -0.00134321422158
                   +1 :              -0.00098212227542
                3d
                   -2 :               0.00048355899523
                   -1 :               0.00024479387329
                   +0 :              -0.00073318551535
                   +1 :              -0.00068713443264
                   +2 :              -0.00079205586197
              5 vec=    10.373550     -2.752324     -5.671873   |vec|=   12.139027
                2s
                   +0 :               0.00034259343424
                2p
                   -1 :              -0.00019019151009
                   +0 :              -0.00011326363501
                   +1 :               0.00020721561625
                3s
                   +0 :              -0.00082602485318
                4s
                   +0 :               0.00040610884111
                3p
                   -1 :               0.00076348804056
                   +0 :               0.00036118705510
                   +1 :              -0.00088938422389
                4p
                   -1 :              -0.00024780099096
                   +0 :              -0.00016576652294
                   +1 :               0.00025041126009
                3d
                   -2 :               0.00010490426311
                   -1 :              -0.00015485088760
                   +0 :               0.00007398468430
                   +1 :               0.00011703647252
                   +2 :              -0.00003538428599
              6 vec=     2.593388     10.723313     -5.671873   |vec|=   12.405049
                2s
                   +0 :              -0.00007662020348
                2p
                   -1 :              -0.00013457811744
                   +0 :               0.00006888427768
                   +1 :               0.00011761557322
                3s
                   +0 :               0.00042286699350
                4s
                   +0 :               0.00005724709257
                3p
                   -1 :               0.00077220459310
                   +0 :              -0.00012203680433
                   +1 :              -0.00052376163206
                4p
                   -1 :              -0.00001948953326
                   +0 :              -0.00004362118914
                   +1 :               0.00016730846250
                3d
                   -2 :               0.00008064419391
                   -1 :              -0.00015395248452
                   +0 :              -0.00005581573475
                   +1 :               0.00001052556976
                   +2 :              -0.00032410897884
              7 vec=    10.373550      6.231434     -5.671873   |vec|=   13.364560
                2s
                   +0 :               0.00018264843724
                2p
                   -1 :               0.00003708983712
                   +0 :               0.00003769344677
                   +1 :               0.00000875959646
                3s
                   +0 :              -0.00061745128371
                4s
                   +0 :               0.00021568064874
                3p
                   -1 :              -0.00024660557785
                   +0 :              -0.00009825654161
                   +1 :              -0.00017711382785
                4p
                   -1 :               0.00009585317907
                   +0 :               0.00002704942278
                   +1 :               0.00010097652642
                3d
                   -2 :               0.00009355414196
                   -1 :              -0.00013003713908
                   +0 :               0.00008957067657
                   +1 :               0.00002848545699
                   +2 :              -0.00001450685845
              8 vec=    -5.186775    -11.736082     -5.671873   |vec|=   14.028842
                2s
                   +0 :               0.00024277446187
                2p
                   -1 :               0.00006034497424
                   +0 :              -0.00005087675018
                   +1 :              -0.00012022844431
                3s
                   +0 :              -0.00082051538099
                4s
                   +0 :               0.00018143711881
                3p
                   -1 :              -0.00034877525580
                   +0 :               0.00023592280675
                   +1 :               0.00062516787435
                4p
                   -1 :               0.00014078655522
                   +0 :              -0.00008077542564
                   +1 :              -0.00012289209223
                3d
                   -2 :              -0.00004812798136
                   -1 :               0.00011241200353
                   +0 :               0.00000401950858
                   +1 :              -0.00013970136275
                   +2 :              -0.00013301893446
              9 vec=   -12.966938      1.739555     -5.671873   |vec|=   14.259652
                2s
                   +0 :              -0.00000971926513
                2p
                   -1 :              -0.00004169980847
                   +0 :               0.00006874370118
                   +1 :               0.00013155097398
                3s
                   +0 :               0.00005594583899
                4s
                   +0 :              -0.00005375372081
                3p
                   -1 :               0.00021248206940
                   +0 :              -0.00022738274506
                   +1 :              -0.00073187455444
                4p
                   -1 :              -0.00004317147015
                   +0 :               0.00001899139693
                   +1 :               0.00018578101623
                3d
                   -2 :               0.00002436414116
                   -1 :              -0.00016018378390
                   +0 :              -0.00011948591242
                   +1 :               0.00012081605149
                   +2 :               0.00014731129051
             10 vec=   -12.966938     -7.244203     -5.671873   |vec|=   15.899374
                2s
                   +0 :              -0.00018624832552
                2p
                   -1 :               0.00007753709510
                   +0 :               0.00003027013006
                   +1 :               0.00013070502822
                3s
                   +0 :               0.00056013859708
                4s
                   +0 :              -0.00016473291913
                3p
                   -1 :              -0.00039979025618
                   +0 :              -0.00002848555762
                   +1 :              -0.00066366427418
                4p
                   -1 :               0.00009736202102
                   +0 :              -0.00003559238726
                   +1 :               0.00013890817634
                3d
                   -2 :               0.00015873031131
                   -1 :               0.00001776407812
                   +0 :              -0.00009406518402
                   +1 :               0.00007663923159
                   +2 :               0.00006802196921
             11 vec=    10.373550    -11.736082     -5.671873   |vec|=   16.658821
                2s
                   +0 :               0.00004318121841
                2p
                   -1 :              -0.00000150532955
                   +0 :               0.00001050421939
                   +1 :              -0.00001300568974
                3s
                   +0 :               0.00004141489656
                4s
                   +0 :               0.00002537990697
                3p
                   -1 :              -0.00002732824530
                   +0 :              -0.00008199986570
                   +1 :               0.00018776842409
                4p
                   -1 :              -0.00000768515228
                   +0 :               0.00002073086294
                   +1 :              -0.00003628125351
                3d
                   -2 :              -0.00003056800468
                   -1 :               0.00000401606639
                   +0 :              -0.00001787224123
                   +1 :              -0.00000164535024
                   +2 :               0.00002085294617
             12 vec=    -5.186775     15.215192     -5.671873   |vec|=   17.046256
                2s
                   +0 :              -0.00010364017878
                2p
                   -1 :              -0.00007009814101
                   +0 :               0.00003597634741
                   +1 :               0.00001932333745
                3s
                   +0 :               0.00042211486080
                4s
                   +0 :              -0.00013391948075
                3p
                   -1 :               0.00040363239365
                   +0 :              -0.00020731998576
                   +1 :              -0.00013637953745
                4p
                   -1 :              -0.00009163450338
                   +0 :               0.00004591593594
                   +1 :               0.00006151931618
                3d
                   -2 :               0.00001272717648
                   -1 :              -0.00011934755672
                   +0 :               0.00001470810382
                   +1 :               0.00000399427923
                   +2 :              -0.00008435285144
             13 vec=     2.593388    -16.227961     -5.671873   |vec|=   17.385124
                2s
                   +0 :              -0.00002252214407
                2p
                   -1 :               0.00000452552191
                   +0 :              -0.00001849538559
                   +1 :              -0.00002681390276
                3s
                   +0 :               0.00002180847863
                4s
                   +0 :               0.00001298722814
                3p
                   -1 :               0.00002177297471
                   +0 :               0.00007087587911
                   +1 :               0.00012902720725
                4p
                   -1 :              -0.00002080346550
                   +0 :              -0.00000782085855
                   +1 :              -0.00004933095710
                3d
                   -2 :              -0.00001096588021
                   -1 :              -0.00000419462307
                   +0 :              -0.00000212666049
                   +1 :              -0.00000606620207
                   +2 :              -0.00000673029868
             14 vec=   -12.966938     10.723313     -5.671873   |vec|=   17.756719
                2s
                   +0 :               0.00000953549480
                2p
                   -1 :              -0.00001287943574
                   +0 :              -0.00001598587686
                   +1 :              -0.00000903217343
                3s
                   +0 :              -0.00014709855123
                4s
                   +0 :               0.00006525133591
                3p
                   -1 :              -0.00005505102799
                   +0 :               0.00002283328262
                   +1 :               0.00006126568947
                4p
                   -1 :               0.00004333047633
                   +0 :               0.00002524100756
                   +1 :              -0.00000709702751
                3d
                   -2 :              -0.00003650882281
                   -1 :              -0.00003524397710
                   +0 :               0.00000728170376
                   +1 :              -0.00002458542727
                   +2 :              -0.00001467050691
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al(  6)  npairs=  14
              1 vec=     2.593388      1.739555      1.580453   |vec|=    3.499934
                2s
                   +0 :               0.03799648662212
                2p
                   -1 :               0.02208547946033
                   +0 :               0.02375867020951
                   +1 :               0.02762817032620
                3s
                   +0 :               0.07939976436275
                4s
                   +0 :               0.01593967861253
                3p
                   -1 :               0.05610076684011
                   +0 :               0.04440074637414
                   +1 :               0.02476207985242
                4p
                   -1 :               0.00860632465501
                   +0 :               0.01117324721292
                   +1 :               0.01847593022481
                3d
                   -2 :               0.03478616830367
                   -1 :               0.03491926200135
                   +0 :               0.00484185938374
                   +1 :               0.03498118572769
                   +2 :              -0.00629133419701
              2 vec=    -5.186775     -2.752324      1.580453   |vec|=    6.080769
                2s
                   +0 :               0.00336234129347
                2p
                   -1 :              -0.00135386421802
                   +0 :               0.00165556589800
                   +1 :              -0.00154867007900
                3s
                   +0 :              -0.00215187624438
                4s
                   +0 :               0.00427515463284
                3p
                   -1 :               0.00642250292324
                   +0 :              -0.00901428152476
                   +1 :               0.00313403650023
                4p
                   -1 :              -0.00269855237017
                   +0 :               0.00322684779264
                   +1 :              -0.00117241272398
                3d
                   -2 :              -0.00418042938326
                   -1 :               0.00183290620742
                   +0 :               0.00280240769643
                   +1 :               0.00251572184607
                   +2 :              -0.00222276796828
              3 vec=     2.593388     -7.244203      1.580453   |vec|=    7.855060
                2s
                   +0 :               0.00029329072171
                2p
                   -1 :               0.00016108720877
                   +0 :              -0.00074565527511
                   +1 :               0.00017619898235
                3s
                   +0 :               0.00896791564494
                4s
                   +0 :              -0.00003645855734
                3p
                   -1 :              -0.00630112139239
                   +0 :               0.00954213072578
                   +1 :              -0.00144206775013
                4p
                   -1 :              -0.00017652795490
                   +0 :              -0.00092409598412
                   +1 :              -0.00010576593903
                3d
                   -2 :               0.00078699350718
                   -1 :              -0.00405139284233
                   +0 :               0.00038584797330
                   +1 :               0.00022925178407
                   +2 :              -0.00157822483859
              4 vec=    -5.186775      6.231434      1.580453   |vec|=    8.260220
                2s
                   +0 :               0.00036517135858
                2p
                   -1 :              -0.00112105995740
                   +0 :               0.00059567687719
                   +1 :              -0.00025661805393
                3s
                   +0 :              -0.00393805058828
                4s
                   +0 :               0.00089180984073
                3p
                   -1 :               0.00827091463279
                   +0 :              -0.00577625807186
                   +1 :               0.00313024828850
                4p
                   -1 :              -0.00145424297341
                   +0 :               0.00118222326663
                   +1 :              -0.00078433956185
                3d
                   -2 :              -0.00253603824458
                   -1 :               0.00131219859470
                   +0 :              -0.00102024768148
                   +1 :               0.00217215033458
                   +2 :              -0.00197580758098
              5 vec=    10.373550     -2.752324      1.580453   |vec|=   10.848210
                2s
                   +0 :              -0.00051549150846
                2p
                   -1 :              -0.00027737476624
                   +0 :               0.00017410635840
                   +1 :              -0.00048509670454
                3s
                   +0 :               0.00238580458224
                4s
                   +0 :              -0.00041523629429
                3p
                   -1 :               0.00117767506759
                   +0 :              -0.00026556362680
                   +1 :               0.00234595985986
                4p
                   -1 :              -0.00035612300509
                   +0 :               0.00001905482003
                   +1 :              -0.00044569205669
                3d
                   -2 :               0.00042100555425
                   -1 :              -0.00011031750414
                   +0 :              -0.00007107298093
                   +1 :               0.00020155313189
                   +2 :               0.00092378137472
              6 vec=     2.593388     10.723313      1.580453   |vec|=   11.145086
                2s
                   +0 :               0.00043379813701
                2p
                   -1 :               0.00005100656053
                   +0 :              -0.00022264513205
                   +1 :               0.00004755028130
                3s
                   +0 :              -0.00219241001072
                4s
                   +0 :               0.00003463583236
                3p
                   -1 :              -0.00035201309593
                   +0 :               0.00070685070236
                   +1 :              -0.00096237415777
                4p
                   -1 :              -0.00017968780066
                   +0 :              -0.00026690022777
                   +1 :              -0.00000032032427
                3d
                   -2 :              -0.00073196454618
                   -1 :               0.00041601688946
                   +0 :              -0.00029134774353
                   +1 :              -0.00047469109887
                   +2 :              -0.00018494898347
              7 vec=    10.373550      6.231434      1.580453   |vec|=   12.204063
                2s
                   +0 :              -0.00001922765534
                2p
                   -1 :              -0.00019010038808
                   +0 :               0.00008003229470
                   +1 :               0.00012986501006
                3s
                   +0 :               0.00071308120953
                4s
                   +0 :               0.00001429092718
                3p
                   -1 :               0.00108184738576
                   +0 :               0.00000920120703
                   +1 :              -0.00005530492712
                4p
                   -1 :              -0.00039720797617
                   +0 :               0.00010844608119
                   +1 :               0.00016778524126
                3d
                   -2 :               0.00008518944575
                   -1 :              -0.00007830599248
                   +0 :               0.00001774206773
                   +1 :               0.00006581039035
                   +2 :               0.00008665189165
              8 vec=    -5.186775    -11.736082      1.580453   |vec|=   12.928112
                2s
                   +0 :              -0.00004489844110
                2p
                   -1 :               0.00007809227227
                   +0 :              -0.00013037276558
                   +1 :              -0.00007048713794
                3s
                   +0 :              -0.00083152948443
                4s
                   +0 :               0.00003796159704
                3p
                   -1 :               0.00038075358502
                   +0 :              -0.00013655954572
                   +1 :              -0.00012584751421
                4p
                   -1 :              -0.00000301663555
                   +0 :              -0.00009124275320
                   +1 :              -0.00008427121586
                3d
                   -2 :               0.00025332048269
                   -1 :               0.00018310401493
                   +0 :              -0.00010487999265
                   +1 :              -0.00017637521000
                   +2 :               0.00004754603846
              9 vec=   -12.966938      1.739555      1.580453   |vec|=   13.178215
                2s
                   +0 :               0.00007435435896
                2p
                   -1 :              -0.00014631118453
                   +0 :               0.00007284617167
                   +1 :               0.00001622955278
                3s
                   +0 :              -0.00273491461332
                4s
                   +0 :               0.00014324823702
                3p
                   -1 :              -0.00072317978334
                   +0 :              -0.00229641252862
                   +1 :               0.00124109052706
                4p
                   -1 :              -0.00010317461572
                   +0 :               0.00030363716514
                   +1 :               0.00003018642112
                3d
                   -2 :               0.00042529970269
                   -1 :              -0.00045233501889
                   +0 :              -0.00022170842468
                   +1 :               0.00085143607277
                   +2 :              -0.00004466589043
             10 vec=   -12.966938     -7.244203      1.580453   |vec|=   14.937128
                2s
                   +0 :               0.00013868694013
                2p
                   -1 :               0.00000291137200
                   +0 :              -0.00001219585280
                   +1 :              -0.00000426609867
                3s
                   +0 :              -0.00075015407028
                4s
                   +0 :               0.00012161399994
                3p
                   -1 :              -0.00000497757849
                   +0 :              -0.00009821861193
                   +1 :               0.00008475336965
                4p
                   -1 :               0.00004334274253
                   +0 :              -0.00003221228768
                   +1 :              -0.00001612736562
                3d
                   -2 :               0.00005710746916
                   -1 :               0.00003600200719
                   +0 :              -0.00001888144625
                   +1 :              -0.00005270090176
                   +2 :              -0.00003351090313
             11 vec=    10.373550    -11.736082      1.580453   |vec|=   15.743062
                2s
                   +0 :              -0.00008134434249
                2p
                   -1 :              -0.00000050892063
                   +0 :               0.00000106557108
                   +1 :              -0.00002899539463
                3s
                   +0 :               0.00037535480999
                4s
                   +0 :              -0.00012762391670
                3p
                   -1 :              -0.00007247786297
                   +0 :               0.00001718928620
                   +1 :               0.00021546075196
                4p
                   -1 :               0.00002430055679
                   +0 :              -0.00000875220888
                   +1 :              -0.00006177899070
                3d
                   -2 :              -0.00005614133951
                   -1 :               0.00000959934879
                   +0 :              -0.00001714623725
                   +1 :              -0.00000137914126
                   +2 :               0.00004831905088
             12 vec=    -5.186775     15.215192      1.580453   |vec|=   16.152478
                2s
                   +0 :               0.00000983536967
                2p
                   -1 :              -0.00000578616592
                   +0 :              -0.00001697884485
                   +1 :               0.00000399912153
                3s
                   +0 :               0.00007855036048
                4s
                   +0 :              -0.00008836497555
                3p
                   -1 :               0.00013834169610
                   +0 :               0.00016680680582
                   +1 :              -0.00010094351345
                4p
                   -1 :              -0.00011570141239
                   +0 :              -0.00004800434513
                   +1 :               0.00000796461800
                3d
                   -2 :               0.00001438241420
                   -1 :              -0.00000521253299
                   +0 :               0.00001906807925
                   +1 :              -0.00002925977995
                   +2 :               0.00002946078118
             13 vec=     2.593388    -16.227961      1.580453   |vec|=   16.509700
                2s
                   +0 :               0.00003520013752
                2p
                   -1 :              -0.00001895986226
                   +0 :              -0.00001599768162
                   +1 :              -0.00001488883654
                3s
                   +0 :              -0.00029479567619
                4s
                   +0 :               0.00006806349163
                3p
                   -1 :               0.00025913493287
                   +0 :               0.00000024349425
                   +1 :               0.00008234174125
                4p
                   -1 :              -0.00004230965168
                   +0 :              -0.00003080016093
                   +1 :              -0.00000240644682
                3d
                   -2 :              -0.00002185562339
                   -1 :               0.00003728531695
                   +0 :              -0.00000702130335
                   +1 :               0.00003381382106
                   +2 :               0.00004113641163
             14 vec=   -12.966938     10.723313      1.580453   |vec|=   16.900555
                2s
                   +0 :               0.00001022239681
                2p
                   -1 :              -0.00000865404822
                   +0 :              -0.00002481808682
                   +1 :               0.00000681194888
                3s
                   +0 :              -0.00026322379341
                4s
                   +0 :               0.00010766301632
                3p
                   -1 :              -0.00001550643321
                   +0 :               0.00000247811838
                   +1 :               0.00010932801060
                4p
                   -1 :               0.00000851216162
                   +0 :              -0.00001004414503
                   +1 :              -0.00005314426359
                3d
                   -2 :              -0.00003871074685
                   -1 :               0.00001883615175
                   +0 :              -0.00000228491067
                   +1 :               0.00003633122870
                   +2 :              -0.00002692597037
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al(  7)  npairs=  15
              1 vec=     2.593388      1.739555    -10.693319   |vec|=   11.139963
                2s
                   +0 :               0.00076561306524
                2p
                   -1 :              -0.00022220254519
                   +0 :              -0.00022489736159
                   +1 :              -0.00001410213684
                3s
                   +0 :              -0.00239818011944
                4s
                   +0 :               0.00051862094615
                3p
                   -1 :               0.00079401258846
                   +0 :               0.00101625905071
                   +1 :              -0.00089686895990
                4p
                   -1 :              -0.00016868875662
                   +0 :              -0.00013335372478
                   +1 :              -0.00003469740184
                3d
                   -2 :              -0.00023051939637
                   -1 :              -0.00005166888256
                   +0 :               0.00036540436451
                   +1 :               0.00037337726046
                   +2 :               0.00014130708555
              2 vec=    -5.186775     -2.752324    -10.693319   |vec|=   12.199385
                2s
                   +0 :               0.00019323773955
                2p
                   -1 :               0.00019338207006
                   +0 :              -0.00003565907505
                   +1 :              -0.00017962339416
                3s
                   +0 :              -0.00100126351802
                4s
                   +0 :               0.00017454287862
                3p
                   -1 :              -0.00096468113043
                   +0 :               0.00010799840268
                   +1 :               0.00090388504652
                4p
                   -1 :               0.00026062442230
                   +0 :              -0.00004573122468
                   +1 :              -0.00018935696936
                3d
                   -2 :               0.00022223098896
                   -1 :               0.00026223110187
                   +0 :               0.00032895985886
                   +1 :              -0.00009318206469
                   +2 :               0.00006230875630
              3 vec=     2.593388     -7.244203    -10.693319   |vec|=   13.173883
                2s
                   +0 :               0.00008021623444
                2p
                   -1 :              -0.00019624899888
                   +0 :              -0.00010151920194
                   +1 :               0.00009608402784
                3s
                   +0 :               0.00110181689456
                4s
                   +0 :              -0.00006037601033
                3p
                   -1 :              -0.00017372669571
                   +0 :              -0.00052768355788
                   +1 :              -0.00037896567206
                4p
                   -1 :              -0.00008844341911
                   +0 :              -0.00005694482410
                   +1 :               0.00009933294179
                3d
                   -2 :               0.00007532728710
                   -1 :               0.00017881627194
                   +0 :              -0.00000089556953
                   +1 :               0.00004358359403
                   +2 :              -0.00016630756949
              4 vec=    -5.186775      6.231434    -10.693319   |vec|=   13.419406
                2s
                   +0 :              -0.00011876540121
                2p
                   -1 :              -0.00002428665445
                   +0 :               0.00000075838643
                   +1 :              -0.00021336954426
                3s
                   +0 :               0.00027819275178
                4s
                   +0 :               0.00007444943036
                3p
                   -1 :               0.00020624725490
                   +0 :               0.00018202411207
                   +1 :               0.00080101271994
                4p
                   -1 :               0.00000940072930
                   +0 :              -0.00020711003870
                   +1 :              -0.00016837261837
                3d
                   -2 :              -0.00006467393689
                   -1 :              -0.00015481642435
                   +0 :              -0.00026931926065
                   +1 :              -0.00021401433623
                   +2 :              -0.00001825170325
              5 vec=     2.593388      1.739555     13.854224   |vec|=   14.201804
                2s
                   +0 :               0.00011976694034
                2p
                   -1 :               0.00002359483399
                   +0 :              -0.00003519302460
                   +1 :               0.00009056228958
                3s
                   +0 :              -0.00014693926370
                4s
                   +0 :              -0.00002572720109
                3p
                   -1 :              -0.00004655424341
                   +0 :               0.00031156808702
                   +1 :              -0.00045151757228
                4p
                   -1 :              -0.00001821549275
                   +0 :              -0.00013782300789
                   +1 :               0.00007763686721
                3d
                   -2 :               0.00009587384696
                   -1 :              -0.00002066394613
                   +0 :               0.00006324256331
                   +1 :              -0.00003236447222
                   +2 :               0.00002591639501
              6 vec=    -5.186775     -2.752324     13.854224   |vec|=   15.047174
                2s
                   +0 :               0.00005784539635
                2p
                   -1 :              -0.00004647454788
                   +0 :              -0.00001020640948
                   +1 :               0.00002991993096
                3s
                   +0 :              -0.00011425903219
                4s
                   +0 :               0.00002848748233
                3p
                   -1 :               0.00014794408692
                   +0 :               0.00014992435984
                   +1 :              -0.00022063731340
                4p
                   -1 :              -0.00002360658822
                   +0 :              -0.00006899986671
                   +1 :               0.00001472982227
                3d
                   -2 :              -0.00001393167812
                   -1 :               0.00006211813491
                   +0 :               0.00004140066942
                   +1 :              -0.00003512658570
                   +2 :               0.00001241890766
              7 vec=    10.373550     -2.752324    -10.693319   |vec|=   15.150343
                2s
                   +0 :               0.00004528894887
                2p
                   -1 :               0.00002803987861
                   +0 :              -0.00006616083877
                   +1 :               0.00003832918141
                3s
                   +0 :              -0.00014355409770
                4s
                   +0 :               0.00013227422105
                3p
                   -1 :               0.00003671917976
                   +0 :               0.00034391746343
                   +1 :              -0.00019991657056
                4p
                   -1 :              -0.00001290388646
                   +0 :              -0.00009959242927
                   +1 :               0.00007476595751
                3d
                   -2 :               0.00006806933310
                   -1 :              -0.00005024850104
                   +0 :              -0.00004812101232
                   +1 :               0.00006838733644
                   +2 :              -0.00002083180220
              8 vec=     2.593388     10.723313    -10.693319   |vec|=   15.364315
                2s
                   +0 :              -0.00011021638538
                2p
                   -1 :              -0.00000361364338
                   +0 :               0.00002953573255
                   +1 :              -0.00001086606419
                3s
                   +0 :               0.00021470737832
                4s
                   +0 :               0.00000475479973
                3p
                   -1 :              -0.00018549105111
                   +0 :              -0.00009075671639
                   +1 :              -0.00005933223501
                4p
                   -1 :               0.00012483800512
                   +0 :               0.00001177961499
                   +1 :               0.00003445108115
                3d
                   -2 :              -0.00003003235802
                   -1 :               0.00001784768840
                   +0 :               0.00001892109078
                   +1 :               0.00003469321992
                   +2 :               0.00005907770098
              9 vec=     2.593388     -7.244203     13.854224   |vec|=   15.847513
                2s
                   +0 :               0.00000771135221
                2p
                   -1 :               0.00000989964676
                   +0 :              -0.00005706525584
                   +1 :               0.00000984224770
                3s
                   +0 :              -0.00020987511023
                4s
                   +0 :              -0.00005278298081
                3p
                   -1 :               0.00009290356558
                   +0 :               0.00031700523559
                   +1 :              -0.00002150317568
                4p
                   -1 :               0.00000768414761
                   +0 :              -0.00012731388252
                   +1 :              -0.00001638397339
                3d
                   -2 :               0.00007685668586
                   -1 :              -0.00001458439402
                   +0 :               0.00010579877628
                   +1 :               0.00001238205767
                   +2 :              -0.00004225967979
             10 vec=    -5.186775      6.231434     13.854224   |vec|=   16.052194
                2s
                   +0 :              -0.00000691482314
                2p
                   -1 :              -0.00003983325446
                   +0 :              -0.00003033271577
                   +1 :               0.00001463153105
                3s
                   +0 :              -0.00020711218657
                4s
                   +0 :              -0.00003424962808
                3p
                   -1 :              -0.00005940364176
                   +0 :               0.00008503787198
                   +1 :              -0.00011168236738
                4p
                   -1 :              -0.00004025516089
                   +0 :              -0.00004175145309
                   +1 :               0.00002393517252
                3d
                   -2 :              -0.00002035767191
                   -1 :              -0.00001518760470
                   +0 :               0.00005563544525
                   +1 :               0.00001293818534
                   +2 :               0.00010453046304
             11 vec=    10.373550      6.231434    -10.693319   |vec|=   16.148943
                2s
                   +0 :               0.00029120137677
                2p
                   -1 :               0.00007828595679
                   +0 :              -0.00013173910406
                   +1 :               0.00010067275415
                3s
                   +0 :              -0.00095322679256
                4s
                   +0 :               0.00033142614185
                3p
                   -1 :              -0.00036087921596
                   +0 :               0.00062838261160
                   +1 :              -0.00041975615251
                4p
                   -1 :               0.00006757081131
                   +0 :              -0.00018561004506
                   +1 :               0.00008453130889
                3d
                   -2 :              -0.00003583019103
                   -1 :               0.00007161820170
                   +0 :              -0.00006568214863
                   +1 :               0.00012400743862
                   +2 :               0.00002688295459
             12 vec=    -5.186775    -11.736082    -10.693319   |vec|=   16.702854
                2s
                   +0 :               0.00003034875127
                2p
                   -1 :              -0.00000580471193
                   +0 :              -0.00001851928500
                   +1 :              -0.00001693470496
                3s
                   +0 :              -0.00022174407362
                4s
                   +0 :               0.00002905309674
                3p
                   -1 :               0.00006467038741
                   +0 :               0.00017199429207
                   +1 :               0.00008067586711
                4p
                   -1 :               0.00000181975785
                   +0 :              -0.00002270466656
                   +1 :              -0.00002306893954
                3d
                   -2 :              -0.00002923817185
                   -1 :              -0.00002983798751
                   +0 :              -0.00003647567168
                   +1 :              -0.00003986720728
                   +2 :               0.00001448500856
             13 vec=   -12.966938      1.739555    -10.693319   |vec|=   16.897177
                2s
                   +0 :               0.00014668362124
                2p
                   -1 :               0.00004672138149
                   +0 :              -0.00004976752708
                   +1 :              -0.00003446862843
                3s
                   +0 :              -0.00056312148915
                4s
                   +0 :               0.00011301274433
                3p
                   -1 :              -0.00027007242656
                   +0 :               0.00031522800313
                   +1 :               0.00010917087388
                4p
                   -1 :               0.00006497625404
                   +0 :              -0.00004862756442
                   +1 :               0.00002569511029
                3d
                   -2 :               0.00003328624217
                   -1 :               0.00002495703044
                   +0 :              -0.00006704990638
                   +1 :              -0.00003356717155
                   +2 :              -0.00000145911961
             14 vec=    10.373550     -2.752324     13.854224   |vec|=   17.524992
                2s
                   +0 :              -0.00001454850080
                2p
                   -1 :               0.00003257895596
                   +0 :               0.00000677524709
                   +1 :              -0.00000121728213
                3s
                   +0 :               0.00014077238137
                4s
                   +0 :               0.00001498922637
                3p
                   -1 :              -0.00025920046693
                   +0 :              -0.00002549561767
                   +1 :               0.00008737939323
                4p
                   -1 :               0.00003576602452
                   +0 :               0.00000547903297
                   +1 :               0.00001397175060
                3d
                   -2 :              -0.00005802884716
                   -1 :              -0.00003315044433
                   +0 :              -0.00003588865354
                   +1 :              -0.00001133122254
                   +2 :              -0.00001507412706
             15 vec=     2.593388     10.723313     13.854224   |vec|=   17.710297
                2s
                   +0 :               0.00000994725277
                2p
                   -1 :               0.00002878090239
                   +0 :              -0.00000866177522
                   +1 :               0.00001882862181
                3s
                   +0 :              -0.00000017667560
                4s
                   +0 :               0.00000048390386
                3p
                   -1 :              -0.00012481961955
                   +0 :               0.00005944031755
                   +1 :              -0.00008508156145
                4p
                   -1 :               0.00001499689440
                   +0 :              -0.00001222480082
                   +1 :               0.00001813030157
                3d
                   -2 :              -0.00001059112825
                   -1 :               0.00000927512931
                   +0 :               0.00001117121209
                   +1 :              -0.00001843180357
                   +2 :               0.00002842118446
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al(  8)  npairs=  13
              1 vec=     2.593388      1.739555      6.601898   |vec|=    7.303202
                2s
                   +0 :               0.00056417689994
                2p
                   -1 :              -0.00021107980831
                   +0 :              -0.00041207618517
                   +1 :               0.00039403358861
                3s
                   +0 :              -0.00134903024039
                4s
                   +0 :               0.00013860018828
                3p
                   -1 :               0.00456419075512
                   +0 :              -0.00196742315998
                   +1 :              -0.00183336968378
                4p
                   -1 :              -0.00077657467487
                   +0 :              -0.00033062747688
                   +1 :              -0.00061252103759
                3d
                   -2 :               0.00092306980936
                   -1 :               0.00031028334579
                   +0 :              -0.00090024626300
                   +1 :              -0.00194058779678
                   +2 :              -0.00118025457538
              2 vec=    -5.186775     -2.752324      6.601898   |vec|=    8.835326
                2s
                   +0 :               0.00192275165263
                2p
                   -1 :               0.00022743480041
                   +0 :               0.00054573047315
                   +1 :              -0.00062554663970
                3s
                   +0 :              -0.01773784630576
                4s
                   +0 :               0.00342160230637
                3p
                   -1 :               0.00186763806490
                   +0 :              -0.01025708579260
                   +1 :               0.00961525056212
                4p
                   -1 :               0.00045553752110
                   +0 :               0.00134298309075
                   +1 :              -0.00112853811874
                3d
                   -2 :              -0.00174390189474
                   -1 :               0.00133654275854
                   +0 :              -0.00071160255855
                   +1 :               0.00280638744979
                   +2 :              -0.00152530631331
              3 vec=     2.593388     -7.244203      6.601898   |vec|=   10.138500
                2s
                   +0 :               0.00104676635328
                2p
                   -1 :              -0.00042584715902
                   +0 :               0.00049302495333
                   +1 :               0.00010202369567
                3s
                   +0 :              -0.00341490732110
                4s
                   +0 :               0.00129554071334
                3p
                   -1 :               0.00180298194740
                   +0 :              -0.00313346719733
                   +1 :              -0.00095241283362
                4p
                   -1 :              -0.00057740769983
                   +0 :               0.00078239612870
                   +1 :               0.00013645271346
                3d
                   -2 :               0.00036669724899
                   -1 :               0.00055993132717
                   +0 :              -0.00012144807955
                   +1 :              -0.00030703144396
                   +2 :               0.00033393430008
              4 vec=    -5.186775      6.231434      6.601898   |vec|=   10.455547
                2s
                   +0 :               0.00134171377746
                2p
                   -1 :               0.00071936869963
                   +0 :               0.00043894396194
                   +1 :              -0.00003246835462
                3s
                   +0 :              -0.00536444136354
                4s
                   +0 :               0.00182186313459
                3p
                   -1 :              -0.00350384802516
                   +0 :              -0.00314971490847
                   +1 :               0.00037478857080
                4p
                   -1 :               0.00077019230753
                   +0 :               0.00090446261875
                   +1 :              -0.00006970694961
                3d
                   -2 :               0.00009174605398
                   -1 :              -0.00075833910258
                   +0 :              -0.00019991227782
                   +1 :               0.00000317528044
                   +2 :               0.00052859157050
              5 vec=    10.373550     -2.752324      6.601898   |vec|=   12.600432
                2s
                   +0 :               0.00012411860080
                2p
                   -1 :              -0.00007256792841
                   +0 :               0.00003049534135
                   +1 :               0.00034007322746
                3s
                   +0 :               0.00072423134870
                4s
                   +0 :               0.00003400634254
                3p
                   -1 :               0.00000397838547
                   +0 :               0.00028305619841
                   +1 :              -0.00137627837856
                4p
                   -1 :              -0.00003101273838
                   +0 :               0.00000477690367
                   +1 :               0.00043385837853
                3d
                   -2 :              -0.00004638934127
                   -1 :              -0.00019665206185
                   +0 :               0.00032151780048
                   +1 :              -0.00007684196981
                   +2 :              -0.00022861045894
              6 vec=     2.593388     10.723313      6.601898   |vec|=   12.856911
                2s
                   +0 :               0.00010266463173
                2p
                   -1 :               0.00004797152156
                   +0 :               0.00007884733125
                   +1 :               0.00002979756349
                3s
                   +0 :               0.00051727883023
                4s
                   +0 :              -0.00018911524012
                3p
                   -1 :               0.00046833303344
                   +0 :               0.00013640499480
                   +1 :              -0.00023615728366
                4p
                   -1 :              -0.00017413220922
                   +0 :              -0.00004370891843
                   +1 :               0.00009325338926
                3d
                   -2 :              -0.00003392752672
                   -1 :              -0.00006388360883
                   +0 :              -0.00018546408118
                   +1 :              -0.00003688912533
                   +2 :              -0.00018795684277
              7 vec=    10.373550      6.231434      6.601898   |vec|=   13.785005
                2s
                   +0 :              -0.00006592552413
                2p
                   -1 :              -0.00018670905154
                   +0 :              -0.00006706447151
                   +1 :               0.00001458683722
                3s
                   +0 :               0.00041028562688
                4s
                   +0 :              -0.00016986843940
                3p
                   -1 :               0.00092988164400
                   +0 :               0.00036786832656
                   +1 :               0.00005600673820
                4p
                   -1 :              -0.00030504931454
                   +0 :              -0.00015792217027
                   +1 :              -0.00005205604703
                3d
                   -2 :              -0.00002105674332
                   -1 :               0.00005318429201
                   +0 :              -0.00004233444215
                   +1 :              -0.00002816178420
                   +2 :               0.00004183962256
              8 vec=    -5.186775    -11.736082      6.601898   |vec|=   14.429945
                2s
                   +0 :               0.00012611863893
                2p
                   -1 :               0.00000023947656
                   +0 :               0.00004552814589
                   +1 :              -0.00006809473232
                3s
                   +0 :              -0.00056329678482
                4s
                   +0 :               0.00024757145658
                3p
                   -1 :               0.00011110491381
                   +0 :              -0.00020122250550
                   +1 :               0.00030545111480
                4p
                   -1 :              -0.00005535002366
                   +0 :               0.00004305465004
                   +1 :              -0.00013491782088
                3d
                   -2 :               0.00004434019238
                   -1 :               0.00004663999266
                   +0 :              -0.00003816813301
                   +1 :               0.00008917678112
                   +2 :              -0.00003372038346
              9 vec=   -12.966938      1.739555      6.601898   |vec|=   14.654439
                2s
                   +0 :              -0.00004890668730
                2p
                   -1 :               0.00009830374902
                   +0 :              -0.00003820455719
                   +1 :               0.00000275089883
                3s
                   +0 :               0.00006472102783
                4s
                   +0 :               0.00004075575377
                3p
                   -1 :              -0.00055417424624
                   +0 :               0.00006374124501
                   +1 :              -0.00002384968679
                4p
                   -1 :               0.00011334373000
                   +0 :               0.00004977679397
                   +1 :              -0.00003117468016
                3d
                   -2 :               0.00014862941596
                   -1 :              -0.00008224307499
                   +0 :              -0.00001972160701
                   +1 :              -0.00005306571533
                   +2 :              -0.00005247474589
             10 vec=   -12.966938     -7.244203      6.601898   |vec|=   16.254384
                2s
                   +0 :               0.00011393290411
                2p
                   -1 :              -0.00002261476210
                   +0 :               0.00003215493248
                   +1 :              -0.00003360289733
                3s
                   +0 :              -0.00042439104826
                4s
                   +0 :               0.00012069310649
                3p
                   -1 :               0.00011139683594
                   +0 :              -0.00018536514845
                   +1 :               0.00016454742261
                4p
                   -1 :              -0.00003663984649
                   +0 :               0.00004175754492
                   +1 :              -0.00003161719170
                3d
                   -2 :               0.00000238647417
                   -1 :               0.00001219078364
                   +0 :              -0.00001401273848
                   +1 :               0.00003360796307
                   +2 :              -0.00003293272241
             11 vec=    10.373550    -11.736082      6.601898   |vec|=   16.997977
                2s
                   +0 :              -0.00007506973636
                2p
                   -1 :               0.00000418594542
                   +0 :              -0.00002298899174
                   +1 :              -0.00003444711691
                3s
                   +0 :               0.00042111325902
                4s
                   +0 :              -0.00006107711144
                3p
                   -1 :              -0.00005593262379
                   +0 :               0.00018098655522
                   +1 :               0.00020349696651
                4p
                   -1 :               0.00000451622530
                   +0 :              -0.00001708779277
                   +1 :               0.00000109238015
                3d
                   -2 :              -0.00000731114887
                   -1 :              -0.00000418517054
                   +0 :               0.00002268022746
                   +1 :               0.00004516291777
                   +2 :               0.00004373654483
             12 vec=    -5.186775     15.215192      6.601898   |vec|=   17.377853
                2s
                   +0 :              -0.00007185630319
                2p
                   -1 :              -0.00003552929749
                   +0 :              -0.00003259818866
                   +1 :               0.00001511632944
                3s
                   +0 :               0.00016711430534
                4s
                   +0 :              -0.00008776065600
                3p
                   -1 :               0.00012336442196
                   +0 :               0.00013705092947
                   +1 :              -0.00010496713382
                4p
                   -1 :              -0.00003218444419
                   +0 :              -0.00004577331839
                   +1 :               0.00003236263615
                3d
                   -2 :              -0.00001091110928
                   -1 :               0.00005909010297
                   +0 :               0.00001974157265
                   +1 :              -0.00003184865031
                   +2 :               0.00000439242343
             13 vec=     2.593388    -16.227961      6.601898   |vec|=   17.710376
                2s
                   +0 :              -0.00001155998370
                2p
                   -1 :               0.00000261567732
                   +0 :              -0.00001722060677
                   +1 :               0.00001213216560
                3s
                   +0 :               0.00008570040836
                4s
                   +0 :              -0.00003417865666
                3p
                   -1 :              -0.00002284020346
                   +0 :               0.00007841944502
                   +1 :              -0.00004417127963
                4p
                   -1 :               0.00000913461650
                   +0 :              -0.00001702315820
                   +1 :               0.00000494772005
                3d
                   -2 :              -0.00000104948468
                   -1 :              -0.00002667322289
                   +0 :               0.00001003806731
                   +1 :              -0.00000846804974
                   +2 :               0.00000803476693
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al(  9)  npairs=  14
              1 vec=     0.000000     -2.752324      2.510804   |vec|=    3.725510
                2s
                   +0 :              -0.00286270546815
                2p
                   -1 :               0.00227902491832
                   +0 :              -0.00086897755774
                   +1 :              -0.00306856720751
                3s
                   +0 :              -0.00655660335083
                4s
                   +0 :              -0.00265660191888
                3p
                   -1 :               0.00109305724102
                   +0 :              -0.00017120311564
                   +1 :              -0.02722874230712
                4p
                   -1 :               0.00249847125777
                   +0 :              -0.00184511040364
                   +1 :               0.00148992406160
                3d
                   -2 :               0.02161635873069
                   -1 :               0.00250078153047
                   +0 :               0.00129468849034
                   +1 :              -0.01836267292794
                   +2 :               0.00345731328554
              2 vec=     0.000000      6.231434      2.510804   |vec|=    6.718252
                2s
                   +0 :              -0.00373649489836
                2p
                   -1 :              -0.00213686925113
                   +0 :              -0.00105443670338
                   +1 :               0.00073858011467
                3s
                   +0 :               0.01775790534779
                4s
                   +0 :              -0.00789435668452
                3p
                   -1 :               0.01185270830612
                   +0 :               0.00865027797891
                   +1 :              -0.00317582975237
                4p
                   -1 :              -0.00364981831767
                   +0 :              -0.00290696528349
                   +1 :               0.00119615061258
                3d
                   -2 :               0.00180568877008
                   -1 :               0.00175531661568
                   +0 :               0.00062774603560
                   +1 :              -0.00202056784810
                   +2 :              -0.00074652117788
              3 vec=    -7.780163      1.739555      2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00090179556397
                2p
                   -1 :              -0.00011356683604
                   +0 :               0.00016644696522
                   +1 :               0.00117000850879
                3s
                   +0 :              -0.00192397078488
                4s
                   +0 :              -0.00053104817921
                3p
                   -1 :              -0.00114113557813
                   +0 :              -0.00569139957095
                   +1 :              -0.00585985731007
                4p
                   -1 :              -0.00093846848099
                   +0 :               0.00007133407187
                   +1 :               0.00136884739304
                3d
                   -2 :               0.00017415183737
                   -1 :              -0.00203758117762
                   +0 :              -0.00336628140124
                   +1 :               0.00079578801378
                   +2 :               0.00247994996804
              4 vec=     7.780163      1.739555      2.510804   |vec|=    8.358297
                2s
                   +0 :              -0.00100666088093
                2p
                   -1 :              -0.00078183824232
                   +0 :              -0.00063775093148
                   +1 :              -0.00048002057356
                3s
                   +0 :               0.00741917202467
                4s
                   +0 :               0.00006289479213
                3p
                   -1 :               0.00752595483569
                   +0 :               0.00902179873754
                   +1 :               0.00035421237456
                4p
                   -1 :              -0.00161941815039
                   +0 :              -0.00093295389202
                   +1 :               0.00100977579321
                3d
                   -2 :               0.00105543514005
                   -1 :               0.00226366292958
                   +0 :               0.00188363271556
                   +1 :               0.00067845055685
                   +2 :              -0.00190519197589
              5 vec=    -7.780163     -7.244203      2.510804   |vec|=   10.923074
                2s
                   +0 :              -0.00046112515819
                2p
                   -1 :               0.00034123038285
                   +0 :              -0.00011038742713
                   +1 :               0.00016709430813
                3s
                   +0 :              -0.00016815618231
                4s
                   +0 :               0.00016153544082
                3p
                   -1 :              -0.00080173382534
                   +0 :               0.00069696383429
                   +1 :               0.00049849255926
                4p
                   -1 :               0.00007764296667
                   +0 :              -0.00020757622498
                   +1 :              -0.00023862538467
                3d
                   -2 :              -0.00006009646655
                   -1 :              -0.00002590354379
                   +0 :              -0.00018915263107
                   +1 :               0.00013139754463
                   +2 :              -0.00008611661775
              6 vec=     7.780163     -7.244203      2.510804   |vec|=   10.923074
                2s
                   +0 :               0.00010030774199
                2p
                   -1 :               0.00017873464447
                   +0 :               0.00000364618562
                   +1 :              -0.00000309030630
                3s
                   +0 :               0.00026100347666
                4s
                   +0 :               0.00023139536297
                3p
                   -1 :              -0.00089692893391
                   +0 :               0.00021258360744
                   +1 :               0.00049765199873
                4p
                   -1 :               0.00019800987956
                   +0 :              -0.00005494898582
                   +1 :              -0.00011767375713
                3d
                   -2 :              -0.00021121268842
                   -1 :              -0.00001196846838
                   +0 :              -0.00012673858177
                   +1 :               0.00032609053048
                   +2 :              -0.00014138535637
              7 vec=     0.000000    -11.736082      2.510804   |vec|=   12.001657
                2s
                   +0 :              -0.00007219907350
                2p
                   -1 :              -0.00001717512983
                   +0 :               0.00008423054214
                   +1 :               0.00008340120834
                3s
                   +0 :               0.00025527684914
                4s
                   +0 :              -0.00005218582800
                3p
                   -1 :               0.00008888574520
                   +0 :              -0.00041954343263
                   +1 :              -0.00023610480976
                4p
                   -1 :              -0.00004608379632
                   +0 :               0.00009421925344
                   +1 :               0.00018339936776
                3d
                   -2 :              -0.00032410511523
                   -1 :               0.00004090862460
                   +0 :              -0.00004055866348
                   +1 :               0.00019992872799
                   +2 :               0.00008104389679
              8 vec=    -7.780163     10.723313      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00016268213207
                2p
                   -1 :              -0.00002741851911
                   +0 :               0.00008607579823
                   +1 :              -0.00013645054146
                3s
                   +0 :              -0.00107277873203
                4s
                   +0 :               0.00028804982118
                3p
                   -1 :               0.00006553570890
                   +0 :              -0.00082481661249
                   +1 :               0.00103944552506
                4p
                   -1 :               0.00000834503021
                   +0 :               0.00013483959895
                   +1 :              -0.00021686456468
                3d
                   -2 :               0.00019883137134
                   -1 :              -0.00015239000263
                   +0 :              -0.00016094601051
                   +1 :               0.00017630943466
                   +2 :              -0.00013388259243
              9 vec=     7.780163     10.723313      2.510804   |vec|=   13.484232
                2s
                   +0 :               0.00007716212997
                2p
                   -1 :              -0.00012147395775
                   +0 :               0.00015061290186
                   +1 :               0.00017761649958
                3s
                   +0 :               0.00034057284622
                4s
                   +0 :              -0.00009803161092
                3p
                   -1 :               0.00091352925881
                   +0 :              -0.00019059045940
                   +1 :              -0.00061646001744
                4p
                   -1 :              -0.00033543674028
                   +0 :               0.00005845989566
                   +1 :               0.00019572486883
                3d
                   -2 :              -0.00000339067718
                   -1 :               0.00005470910364
                   +0 :              -0.00002855453217
                   +1 :              -0.00000363233427
                   +2 :              -0.00027261274699
             10 vec=     0.000000     15.215192      2.510804   |vec|=   15.420966
                2s
                   +0 :              -0.00000463300203
                2p
                   -1 :              -0.00000783225675
                   +0 :               0.00005270381816
                   +1 :              -0.00001283869752
                3s
                   +0 :              -0.00003875005334
                4s
                   +0 :               0.00001771513169
                3p
                   -1 :               0.00005571882218
                   +0 :              -0.00029772089535
                   +1 :               0.00009593187102
                4p
                   -1 :              -0.00000978442690
                   +0 :               0.00009301483556
                   +1 :              -0.00003244282523
                3d
                   -2 :               0.00000677278244
                   -1 :              -0.00006151456175
                   +0 :               0.00001544190172
                   +1 :              -0.00002270516443
                   +2 :              -0.00003345448863
             11 vec=   -15.560325     -2.752324      2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00001389279207
                2p
                   -1 :               0.00001234472887
                   +0 :              -0.00001604888463
                   +1 :              -0.00003449883663
                3s
                   +0 :              -0.00004374247064
                4s
                   +0 :               0.00004381750125
                3p
                   -1 :              -0.00000058467190
                   +0 :               0.00013374482244
                   +1 :               0.00012945002996
                4p
                   -1 :              -0.00000316011732
                   +0 :              -0.00002996670389
                   +1 :              -0.00007751576905
                3d
                   -2 :              -0.00000047280515
                   -1 :               0.00003004642057
                   +0 :               0.00002250514039
                   +1 :               0.00000023296708
                   +2 :               0.00003222080459
             12 vec=    15.560325     -2.752324      2.510804   |vec|=   16.000098
                2s
                   +0 :              -0.00003070621230
                2p
                   -1 :               0.00003672043473
                   +0 :               0.00004746043788
                   +1 :              -0.00002429025772
                3s
                   +0 :               0.00029771005760
                4s
                   +0 :              -0.00015290100923
                3p
                   -1 :              -0.00021667400780
                   +0 :              -0.00026443740772
                   +1 :               0.00019721033343
                4p
                   -1 :               0.00006737673752
                   +0 :               0.00004365509725
                   +1 :              -0.00009643333503
                3d
                   -2 :              -0.00002968937771
                   -1 :              -0.00004327012480
                   +0 :               0.00002070379743
                   +1 :              -0.00003435343750
                   +2 :               0.00003710236143
             13 vec=   -15.560325      6.231434      2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00008031942709
                2p
                   -1 :              -0.00001028086814
                   +0 :              -0.00003141667113
                   +1 :               0.00004888345559
                3s
                   +0 :               0.00021002552307
                4s
                   +0 :              -0.00009732085355
                3p
                   -1 :               0.00008620328961
                   +0 :               0.00009117748583
                   +1 :              -0.00021122809947
                4p
                   -1 :              -0.00002373011518
                   +0 :              -0.00003397488548
                   +1 :               0.00005506563501
                3d
                   -2 :              -0.00000486885912
                   -1 :               0.00004433132505
                   +0 :               0.00001884877208
                   +1 :               0.00001289929755
                   +2 :               0.00001216662550
             14 vec=    15.560325      6.231434      2.510804   |vec|=   16.948706
                2s
                   +0 :              -0.00005264487199
                2p
                   -1 :              -0.00001963132952
                   +0 :               0.00001059787290
                   +1 :              -0.00000752556295
                3s
                   +0 :               0.00031374711836
                4s
                   +0 :              -0.00011207629130
                3p
                   -1 :               0.00016601271750
                   +0 :              -0.00000110312615
                   +1 :               0.00004295203797
                4p
                   -1 :              -0.00007931631522
                   +0 :               0.00000310092613
                   +1 :              -0.00001932937993
                3d
                   -2 :               0.00000531663947
                   -1 :              -0.00000109858677
                   +0 :               0.00002247131177
                   +1 :               0.00001149962582
                   +2 :               0.00000539301007
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al( 10)  npairs=  13
              1 vec=     0.000000     -2.752324      9.763130   |vec|=   10.143668
                2s
                   +0 :              -0.00048416216085
                2p
                   -1 :              -0.00002207295738
                   +0 :               0.00005559427085
                   +1 :               0.00016163348553
                3s
                   +0 :               0.00200656518167
                4s
                   +0 :              -0.00046107910031
                3p
                   -1 :               0.00028491085795
                   +0 :               0.00010105938790
                   +1 :              -0.00127428481579
                4p
                   -1 :              -0.00018702049067
                   +0 :               0.00000551922971
                   +1 :               0.00026683470885
                3d
                   -2 :               0.00012069333554
                   -1 :              -0.00010478573351
                   +0 :              -0.00006867501118
                   +1 :              -0.00020236877858
                   +2 :              -0.00015907258512
              2 vec=     0.000000      6.231434      9.763130   |vec|=   11.582292
                2s
                   +0 :              -0.00047720308960
                2p
                   -1 :              -0.00010342788909
                   +0 :               0.00000381176768
                   +1 :              -0.00008402125178
                3s
                   +0 :               0.00130582183610
                4s
                   +0 :              -0.00031460133789
                3p
                   -1 :               0.00039183625428
                   +0 :              -0.00009194010023
                   +1 :               0.00029216577450
                4p
                   -1 :              -0.00004862793267
                   +0 :               0.00001485642336
                   +1 :              -0.00003122241286
                3d
                   -2 :               0.00017959850843
                   -1 :              -0.00000855126736
                   +0 :              -0.00017861228578
                   +1 :              -0.00008009983349
                   +2 :               0.00026631961059
              3 vec=    -7.780163      1.739555      9.763130   |vec|=   12.604590
                2s
                   +0 :              -0.00014012574163
                2p
                   -1 :              -0.00022860752966
                   +0 :               0.00001587945903
                   +1 :               0.00002674829822
                3s
                   +0 :              -0.00094020739571
                4s
                   +0 :               0.00025647297394
                3p
                   -1 :               0.00088535925006
                   +0 :              -0.00051975245415
                   +1 :               0.00126012688217
                4p
                   -1 :              -0.00017341847575
                   +0 :               0.00023574468108
                   +1 :              -0.00023005195124
                3d
                   -2 :              -0.00015236353311
                   -1 :               0.00027442949070
                   +0 :               0.00016620262774
                   +1 :               0.00015671628964
                   +2 :              -0.00046386591147
              4 vec=     7.780163      1.739555      9.763130   |vec|=   12.604590
                2s
                   +0 :               0.00007454102275
                2p
                   -1 :               0.00007887861337
                   +0 :               0.00004599503696
                   +1 :               0.00008698841356
                3s
                   +0 :               0.00108948489575
                4s
                   +0 :               0.00003571279621
                3p
                   -1 :               0.00034150468360
                   +0 :               0.00012193458726
                   +1 :               0.00066289036173
                4p
                   -1 :              -0.00011156789123
                   +0 :               0.00014822561697
                   +1 :              -0.00001743047188
                3d
                   -2 :               0.00020143668800
                   -1 :              -0.00007406428139
                   +0 :              -0.00013782757195
                   +1 :               0.00008456929222
                   +2 :               0.00005912704868
              5 vec=    -7.780163     -7.244203      9.763130   |vec|=   14.433576
                2s
                   +0 :               0.00014655904125
                2p
                   -1 :              -0.00001283296897
                   +0 :               0.00000541531359
                   +1 :               0.00001040353624
                3s
                   +0 :              -0.00059006163397
                4s
                   +0 :               0.00015005700990
                3p
                   -1 :               0.00007224521534
                   +0 :              -0.00004832893161
                   +1 :              -0.00017208709242
                4p
                   -1 :               0.00002094990770
                   +0 :               0.00001457672616
                   +1 :               0.00005473142982
                3d
                   -2 :               0.00010581104493
                   -1 :               0.00005599364120
                   +0 :               0.00004769142484
                   +1 :              -0.00010078744872
                   +2 :               0.00007460853746
              6 vec=     7.780163     -7.244203      9.763130   |vec|=   14.433576
                2s
                   +0 :              -0.00004379425082
                2p
                   -1 :               0.00003117100112
                   +0 :              -0.00001956115478
                   +1 :               0.00001656493578
                3s
                   +0 :               0.00009129533948
                4s
                   +0 :              -0.00004123565331
                3p
                   -1 :              -0.00012969340866
                   +0 :               0.00034728338493
                   +1 :              -0.00018544030287
                4p
                   -1 :              -0.00001012174141
                   +0 :              -0.00004693283028
                   +1 :               0.00001953282022
                3d
                   -2 :               0.00000759703861
                   -1 :              -0.00018252238504
                   +0 :               0.00004969790254
                   +1 :              -0.00002198684110
                   +2 :               0.00002809562842
              7 vec=     0.000000     -2.752324    -14.784412   |vec|=   15.038422
                2s
                   +0 :               0.00002696817394
                2p
                   -1 :              -0.00000368898724
                   +0 :              -0.00001133098677
                   +1 :              -0.00001662756093
                3s
                   +0 :              -0.00016054829840
                4s
                   +0 :               0.00007192267088
                3p
                   -1 :               0.00007669189063
                   +0 :               0.00006964433794
                   +1 :               0.00014227828324
                4p
                   -1 :              -0.00001157138022
                   +0 :              -0.00003213052621
                   +1 :              -0.00002009349567
                3d
                   -2 :               0.00002173357310
                   -1 :               0.00000206839521
                   +0 :              -0.00002361681766
                   +1 :              -0.00003306783887
                   +2 :              -0.00003565352309
              8 vec=     0.000000    -11.736082      9.763130   |vec|=   15.266117
                2s
                   +0 :              -0.00020056298994
                2p
                   -1 :               0.00012589052585
                   +0 :              -0.00004642562062
                   +1 :              -0.00004234843988
                3s
                   +0 :               0.00067596601252
                4s
                   +0 :              -0.00020708877442
                3p
                   -1 :              -0.00061757826140
                   +0 :               0.00023376832983
                   +1 :               0.00028555546181
                4p
                   -1 :               0.00013548019294
                   +0 :              -0.00005663115154
                   +1 :              -0.00008479468759
                3d
                   -2 :              -0.00003541896997
                   -1 :              -0.00011195525030
                   +0 :              -0.00004192069627
                   +1 :               0.00000231259100
                   +2 :              -0.00014761075081
              9 vec=     0.000000      6.231434    -14.784412   |vec|=   16.043990
                2s
                   +0 :              -0.00004934027210
                2p
                   -1 :              -0.00000241456649
                   +0 :               0.00000279973447
                   +1 :              -0.00004545598101
                3s
                   +0 :               0.00004596881921
                4s
                   +0 :               0.00001264194557
                3p
                   -1 :              -0.00000829184926
                   +0 :               0.00006466712718
                   +1 :               0.00021926073619
                4p
                   -1 :               0.00000393098238
                   +0 :              -0.00002818661112
                   +1 :              -0.00004308467118
                3d
                   -2 :              -0.00002971737148
                   -1 :               0.00004156619615
                   +0 :              -0.00004668104467
                   +1 :              -0.00000824612141
                   +2 :              -0.00004879169512
             10 vec=    -7.780163     10.723313      9.763130   |vec|=   16.457190
                2s
                   +0 :               0.00001363232231
                2p
                   -1 :              -0.00003079889688
                   +0 :              -0.00001278638238
                   +1 :               0.00000450343787
                3s
                   +0 :              -0.00013013500145
                4s
                   +0 :               0.00004938421774
                3p
                   -1 :               0.00009453862578
                   +0 :               0.00004407048491
                   +1 :               0.00002683919742
                4p
                   -1 :              -0.00001294539049
                   +0 :               0.00000510085868
                   +1 :              -0.00000264635189
                3d
                   -2 :              -0.00002566096843
                   -1 :               0.00003397736025
                   +0 :               0.00001245770442
                   +1 :              -0.00000033133505
                   +2 :              -0.00001996849642
             11 vec=     7.780163     10.723313      9.763130   |vec|=   16.457190
                2s
                   +0 :              -0.00010002967155
                2p
                   -1 :              -0.00009169141805
                   +0 :              -0.00002540395032
                   +1 :               0.00002278984999
                3s
                   +0 :               0.00041237449857
                4s
                   +0 :              -0.00017587144388
                3p
                   -1 :               0.00058526057926
                   +0 :               0.00015364646061
                   +1 :              -0.00012762058530
                4p
                   -1 :              -0.00019775145805
                   +0 :              -0.00006122414832
                   +1 :               0.00000145836215
                3d
                   -2 :               0.00009836794863
                   -1 :               0.00007224056189
                   +0 :              -0.00002810358464
                   +1 :               0.00002778076753
                   +2 :              -0.00002400156267
             12 vec=    -7.780163      1.739555    -14.784412   |vec|=   16.796899
                2s
                   +0 :               0.00004345954565
                2p
                   -1 :               0.00004985748133
                   +0 :              -0.00000192022113
                   +1 :               0.00002442019519
                3s
                   +0 :              -0.00005778514611
                4s
                   +0 :              -0.00003720038197
                3p
                   -1 :              -0.00027459573362
                   +0 :              -0.00012163412245
                   +1 :              -0.00017924565052
                4p
                   -1 :               0.00005321425752
                   +0 :               0.00004724445409
                   +1 :               0.00004076095778
                3d
                   -2 :              -0.00004985380332
                   -1 :               0.00002091340327
                   +0 :               0.00009629029355
                   +1 :               0.00006641214843
                   +2 :               0.00002540316730
             13 vec=     7.780163      1.739555    -14.784412   |vec|=   16.796899
                2s
                   +0 :              -0.00011867422560
                2p
                   -1 :               0.00002122516280
                   +0 :               0.00004136566442
                   +1 :              -0.00001478494122
                3s
                   +0 :               0.00031469497079
                4s
                   +0 :              -0.00007293609054
                3p
                   -1 :              -0.00011692752471
                   +0 :              -0.00011358066377
                   +1 :               0.00007617500415
                4p
                   -1 :               0.00001151306519
                   +0 :               0.00002476216435
                   +1 :              -0.00001315057231
                3d
                   -2 :              -0.00005206024672
                   -1 :               0.00000818466871
                   +0 :              -0.00004798446496
                   +1 :               0.00000720910921
                   +2 :               0.00002596179492
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al( 11)  npairs=  14
              1 vec=     0.000000     -2.752324     -2.510641   |vec|=    3.725400
                2s
                   +0 :               0.00306720757356
                2p
                   -1 :              -0.00227978002897
                   +0 :              -0.00075964266566
                   +1 :              -0.00309033630847
                3s
                   +0 :               0.00480463680929
                4s
                   +0 :               0.00323862329071
                3p
                   -1 :               0.00012533667696
                   +0 :              -0.00081787674914
                   +1 :              -0.02700679601424
                4p
                   -1 :              -0.00303814527706
                   +0 :              -0.00157868930791
                   +1 :               0.00132622545494
                3d
                   -2 :               0.02230685019562
                   -1 :               0.00233192626977
                   +0 :              -0.00111880266134
                   +1 :               0.01863870072971
                   +2 :              -0.00350384373021
              2 vec=     0.000000      6.231434     -2.510641   |vec|=    6.718191
                2s
                   +0 :               0.00365334732354
                2p
                   -1 :               0.00203157405328
                   +0 :              -0.00101685549127
                   +1 :               0.00083139216060
                3s
                   +0 :              -0.01810921636190
                4s
                   +0 :               0.00812952386502
                3p
                   -1 :              -0.01176328272139
                   +0 :               0.00819757271424
                   +1 :              -0.00342417967158
                4p
                   -1 :               0.00377897401723
                   +0 :              -0.00273113487329
                   +1 :               0.00103407176514
                3d
                   -2 :               0.00144917275903
                   -1 :               0.00161755109724
                   +0 :              -0.00075847375111
                   +1 :               0.00196484889746
                   +2 :               0.00042731864130
              3 vec=    -7.780163      1.739555     -2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00124042237298
                2p
                   -1 :               0.00078333442944
                   +0 :              -0.00069866796020
                   +1 :              -0.00059573031590
                3s
                   +0 :              -0.00864437679896
                4s
                   +0 :               0.00014475110237
                3p
                   -1 :              -0.00784213317909
                   +0 :               0.00914156397419
                   +1 :               0.00061343913723
                4p
                   -1 :               0.00150926878181
                   +0 :              -0.00097801365699
                   +1 :               0.00097071150338
                3d
                   -2 :               0.00100392097080
                   -1 :               0.00230836338274
                   +0 :              -0.00184220667825
                   +1 :              -0.00080029595746
                   +2 :               0.00195602181822
              4 vec=     7.780163      1.739555     -2.510641   |vec|=    8.358247
                2s
                   +0 :               0.00086694960303
                2p
                   -1 :               0.00011649530156
                   +0 :               0.00033021808943
                   +1 :               0.00100399524933
                3s
                   +0 :               0.00172281027634
                4s
                   +0 :               0.00099773182043
                3p
                   -1 :               0.00113712135696
                   +0 :              -0.00661655506852
                   +1 :              -0.00556484057416
                4p
                   -1 :               0.00093244721144
                   +0 :               0.00045753234258
                   +1 :               0.00159047969103
                3d
                   -2 :              -0.00001559085289
                   -1 :              -0.00186157864734
                   +0 :               0.00330711149547
                   +1 :              -0.00076976791447
                   +2 :              -0.00204713678190
              5 vec=    -7.780163     -7.244203     -2.510641   |vec|=   10.923036
                2s
                   +0 :              -0.00015719793967
                2p
                   -1 :              -0.00019623939570
                   +0 :              -0.00002884263314
                   +1 :               0.00004870618487
                3s
                   +0 :              -0.00005049881429
                4s
                   +0 :              -0.00018849294860
                3p
                   -1 :               0.00115772822471
                   +0 :               0.00034411562432
                   +1 :               0.00017895056217
                4p
                   -1 :              -0.00024373713638
                   +0 :              -0.00006723982885
                   +1 :              -0.00002845267709
                3d
                   -2 :              -0.00030294259836
                   -1 :               0.00004918989547
                   +0 :               0.00011432198413
                   +1 :              -0.00039032421609
                   +2 :               0.00025996261567
              6 vec=     7.780163     -7.244203     -2.510641   |vec|=   10.923036
                2s
                   +0 :               0.00054581421723
                2p
                   -1 :              -0.00032818946272
                   +0 :              -0.00009624880304
                   +1 :               0.00020491079277
                3s
                   +0 :              -0.00002654478797
                4s
                   +0 :              -0.00013484805675
                3p
                   -1 :               0.00058685477018
                   +0 :               0.00058983531760
                   +1 :               0.00029001373318
                4p
                   -1 :               0.00003961380247
                   +0 :              -0.00017643890362
                   +1 :              -0.00015192268688
                3d
                   -2 :              -0.00004030875144
                   -1 :              -0.00002877571089
                   +0 :               0.00021470649989
                   +1 :              -0.00015258528196
                   +2 :               0.00005753344359
              7 vec=     0.000000    -11.736082     -2.510641   |vec|=   12.001622
                2s
                   +0 :               0.00007035119184
                2p
                   -1 :               0.00002601550005
                   +0 :               0.00011301774253
                   +1 :               0.00002864441219
                3s
                   +0 :              -0.00011455255267
                4s
                   +0 :              -0.00005079203123
                3p
                   -1 :              -0.00016158352098
                   +0 :              -0.00046768408546
                   +1 :               0.00001810111390
                4p
                   -1 :               0.00006459837106
                   +0 :               0.00007910931102
                   +1 :               0.00014519852959
                3d
                   -2 :              -0.00032909062612
                   -1 :               0.00005715386441
                   +0 :               0.00011366877814
                   +1 :              -0.00016553073891
                   +2 :              -0.00018637715942
              8 vec=    -7.780163     10.723313     -2.510641   |vec|=   13.484201
                2s
                   +0 :               0.00002667776903
                2p
                   -1 :               0.00021773103273
                   +0 :               0.00014335401895
                   +1 :               0.00023614249065
                3s
                   +0 :              -0.00051674403640
                4s
                   +0 :               0.00004031270653
                3p
                   -1 :              -0.00122522158589
                   +0 :              -0.00003112845376
                   +1 :              -0.00088149083139
                4p
                   -1 :               0.00032258622078
                   +0 :              -0.00004033650677
                   +1 :               0.00029787434915
                3d
                   -2 :               0.00002802304416
                   -1 :               0.00003564640877
                   +0 :               0.00004176041539
                   +1 :              -0.00001458118303
                   +2 :               0.00043541120471
              9 vec=     7.780163     10.723313     -2.510641   |vec|=   13.484201
                2s
                   +0 :              -0.00015836120583
                2p
                   -1 :               0.00001516342911
                   +0 :               0.00011443878738
                   +1 :              -0.00010514359804
                3s
                   +0 :               0.00117699669629
                4s
                   +0 :              -0.00033355315138
                3p
                   -1 :               0.00003042932319
                   +0 :              -0.00097791124148
                   +1 :               0.00090100132284
                4p
                   -1 :              -0.00005134566304
                   +0 :               0.00019456872971
                   +1 :              -0.00018920356371
                3d
                   -2 :               0.00016781928642
                   -1 :              -0.00020007162033
                   +0 :               0.00017247031774
                   +1 :              -0.00023916398349
                   +2 :               0.00015668285691
             10 vec=     0.000000     15.215192     -2.510641   |vec|=   15.420940
                2s
                   +0 :              -0.00005574727181
                2p
                   -1 :              -0.00003179661848
                   +0 :               0.00003213691824
                   +1 :              -0.00002263926811
                3s
                   +0 :               0.00019185529076
                4s
                   +0 :              -0.00005667412307
                3p
                   -1 :               0.00011654650389
                   +0 :              -0.00021635590413
                   +1 :               0.00007641851482
                4p
                   -1 :              -0.00002172429103
                   +0 :               0.00007964706692
                   +1 :              -0.00000464883214
                3d
                   -2 :               0.00000247433655
                   -1 :              -0.00004238548630
                   +0 :              -0.00002829904169
                   +1 :               0.00000992689338
                   +2 :               0.00001071302466
             11 vec=   -15.560325     -2.752324     -2.510641   |vec|=   16.000073
                2s
                   +0 :               0.00003440526585
                2p
                   -1 :              -0.00005141090151
                   +0 :               0.00004061266602
                   +1 :              -0.00004598471039
                3s
                   +0 :              -0.00017049593008
                4s
                   +0 :               0.00014134525711
                3p
                   -1 :               0.00022712491240
                   +0 :              -0.00017568360278
                   +1 :               0.00024195546827
                4p
                   -1 :              -0.00006899813706
                   +0 :               0.00002792584293
                   +1 :              -0.00011469815028
                3d
                   -2 :              -0.00002974648983
                   -1 :              -0.00005282697150
                   +0 :              -0.00000232608702
                   +1 :               0.00003640282214
                   +2 :              -0.00005253014497
             12 vec=    15.560325     -2.752324     -2.510641   |vec|=   16.000073
                2s
                   +0 :              -0.00002085424662
                2p
                   -1 :               0.00003130183594
                   +0 :              -0.00005251038152
                   +1 :              -0.00004793583989
                3s
                   +0 :               0.00010988645718
                4s
                   +0 :              -0.00004312673349
                3p
                   -1 :              -0.00019584076679
                   +0 :               0.00028488987257
                   +1 :               0.00015875070922
                4p
                   -1 :               0.00005473667276
                   +0 :              -0.00005871247512
                   +1 :              -0.00006383972784
                3d
                   -2 :              -0.00003093701705
                   -1 :              -0.00000914311788
                   +0 :              -0.00003193161679
                   +1 :               0.00004113327833
                   +2 :              -0.00002706319877
             13 vec=   -15.560325      6.231434     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00001503438743
                2p
                   -1 :              -0.00001675839245
                   +0 :               0.00001831077855
                   +1 :              -0.00001428473355
                3s
                   +0 :              -0.00016544461887
                4s
                   +0 :               0.00008297232795
                3p
                   -1 :               0.00004019637784
                   +0 :              -0.00002063515984
                   +1 :               0.00009099349391
                4p
                   -1 :               0.00003093495005
                   +0 :               0.00000470523664
                   +1 :              -0.00002837889139
                3d
                   -2 :               0.00001287399643
                   -1 :               0.00000718692767
                   +0 :              -0.00001323283477
                   +1 :              -0.00001157591143
                   +2 :              -0.00001787640005
             14 vec=    15.560325      6.231434     -2.510641   |vec|=   16.948682
                2s
                   +0 :               0.00008481891215
                2p
                   -1 :               0.00000522128345
                   +0 :              -0.00003621792428
                   +1 :               0.00004377847456
                3s
                   +0 :              -0.00019539471420
                4s
                   +0 :               0.00008671602395
                3p
                   -1 :              -0.00005217807240
                   +0 :               0.00013748258990
                   +1 :              -0.00017579534334
                4p
                   -1 :               0.00001762564585
                   +0 :              -0.00004879455151
                   +1 :               0.00004484374991
                3d
                   -2 :              -0.00000553814280
                   -1 :               0.00004316570565
                   +0 :              -0.00000707162215
                   +1 :               0.00000640151173
                   +2 :               0.00001049604401
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site Al( 12)  npairs=  13
              1 vec=     0.000000     -2.752324     -9.762967   |vec|=   10.143511
                2s
                   +0 :               0.00014696589249
                2p
                   -1 :               0.00013205376379
                   +0 :               0.00006926200282
                   +1 :              -0.00000761170583
                3s
                   +0 :              -0.00086361425190
                4s
                   +0 :               0.00030371394021
                3p
                   -1 :              -0.00059799585360
                   +0 :              -0.00002183186689
                   +1 :              -0.00024383564918
                4p
                   -1 :               0.00023638394518
                   +0 :              -0.00008149495735
                   +1 :               0.00001497909568
                3d
                   -2 :               0.00001294897687
                   -1 :               0.00004805747040
                   +0 :               0.00010660716670
                   +1 :               0.00002844168695
                   +2 :               0.00007067653384
              2 vec=     0.000000      6.231434     -9.762967   |vec|=   11.582154
                2s
                   +0 :               0.00021343399035
                2p
                   -1 :               0.00030228458760
                   +0 :               0.00001061098857
                   +1 :               0.00035301296542
                3s
                   +0 :              -0.00060284698772
                4s
                   +0 :               0.00014574899208
                3p
                   -1 :              -0.00157379821314
                   +0 :              -0.00003140577301
                   +1 :              -0.00153345771018
                4p
                   -1 :               0.00045034970498
                   +0 :              -0.00010147844341
                   +1 :               0.00035712964981
                3d
                   -2 :               0.00005349014111
                   -1 :               0.00014691831399
                   +0 :               0.00014991186675
                   +1 :               0.00038023291372
                   +2 :               0.00003840278704
              3 vec=    -7.780163      1.739555     -9.762967   |vec|=   12.604464
                2s
                   +0 :               0.00007265584908
                2p
                   -1 :              -0.00024279995023
                   +0 :               0.00010443189850
                   +1 :               0.00024705675403
                3s
                   +0 :              -0.00165004760345
                4s
                   +0 :               0.00002825839883
                3p
                   -1 :               0.00004814882522
                   +0 :              -0.00022331503513
                   +1 :               0.00011199786741
                4p
                   -1 :              -0.00004649288857
                   +0 :               0.00031223181558
                   +1 :               0.00020603619154
                3d
                   -2 :               0.00041882168466
                   -1 :              -0.00001555197142
                   +0 :               0.00023539443006
                   +1 :               0.00000336112785
                   +2 :               0.00001742257753
              4 vec=     7.780163      1.739555     -9.762967   |vec|=   12.604464
                2s
                   +0 :              -0.00000673665450
                2p
                   -1 :              -0.00007173824704
                   +0 :              -0.00001762311812
                   +1 :               0.00015453390358
                3s
                   +0 :               0.00130499824578
                4s
                   +0 :              -0.00015543740732
                3p
                   -1 :               0.00084923100730
                   +0 :              -0.00021063006713
                   +1 :               0.00038335692026
                4p
                   -1 :              -0.00027586735202
                   +0 :               0.00000481739310
                   +1 :               0.00018268134732
                3d
                   -2 :               0.00008586749651
                   -1 :               0.00004454884852
                   +0 :              -0.00016061303554
                   +1 :              -0.00009150449063
                   +2 :               0.00014506266224
              5 vec=    -7.780163     -7.244203     -9.762967   |vec|=   14.433466
                2s
                   +0 :               0.00011227940737
                2p
                   -1 :              -0.00008657288867
                   +0 :              -0.00003511684831
                   +1 :              -0.00003495747518
                3s
                   +0 :              -0.00040713173428
                4s
                   +0 :               0.00011271079366
                3p
                   -1 :               0.00052200278282
                   +0 :               0.00022737142304
                   +1 :               0.00022112393715
                4p
                   -1 :              -0.00006004677424
                   +0 :              -0.00006734721835
                   +1 :              -0.00009307174933
                3d
                   -2 :              -0.00011212820163
                   -1 :              -0.00013708027045
                   +0 :               0.00003330565707
                   +1 :              -0.00004801923972
                   +2 :               0.00006291309793
              6 vec=     7.780163     -7.244203     -9.762967   |vec|=   14.433466
                2s
                   +0 :              -0.00004565969172
                2p
                   -1 :               0.00013512803368
                   +0 :               0.00003378233075
                   +1 :               0.00003245848633
                3s
                   +0 :               0.00023129192688
                4s
                   +0 :              -0.00008141046983
                3p
                   -1 :              -0.00069719145572
                   +0 :              -0.00026291598927
                   +1 :              -0.00032753998136
                4p
                   -1 :               0.00010830448593
                   +0 :               0.00010193459519
                   +1 :               0.00006014780435
                3d
                   -2 :              -0.00003364836279
                   -1 :               0.00013859855331
                   +0 :               0.00000934485567
                   +1 :               0.00005046618433
                   +2 :              -0.00014134614811
              7 vec=     0.000000     -2.752324     14.784576   |vec|=   15.038583
                2s
                   +0 :              -0.00003250234643
                2p
                   -1 :              -0.00001880801965
                   +0 :              -0.00001884180377
                   +1 :              -0.00000714445763
                3s
                   +0 :               0.00008928432894
                4s
                   +0 :              -0.00001382704598
                3p
                   -1 :               0.00008153127913
                   +0 :               0.00003468431360
                   +1 :               0.00003150808882
                4p
                   -1 :              -0.00002557653596
                   +0 :               0.00000627637925
                   +1 :               0.00000261741853
                3d
                   -2 :               0.00003731034023
                   -1 :               0.00002578709921
                   +0 :               0.00001597513638
                   +1 :              -0.00001233159712
                   +2 :               0.00004799734600
              8 vec=     0.000000    -11.736082     -9.762967   |vec|=   15.266013
                2s
                   +0 :               0.00008020397787
                2p
                   -1 :              -0.00006400293688
                   +0 :              -0.00002788953037
                   +1 :              -0.00002661151646
                3s
                   +0 :              -0.00015636861867
                4s
                   +0 :               0.00005187685315
                3p
                   -1 :               0.00022790813242
                   +0 :               0.00007968082753
                   +1 :               0.00018445368735
                4p
                   -1 :              -0.00005275516032
                   +0 :              -0.00002898219936
                   +1 :              -0.00002855364118
                3d
                   -2 :               0.00001156193731
                   -1 :              -0.00001401882737
                   +0 :               0.00001411483861
                   +1 :              -0.00000968255478
                   +2 :               0.00005992760698
              9 vec=     0.000000      6.231434     14.784576   |vec|=   16.044141
                2s
                   +0 :               0.00006441077026
                2p
                   -1 :               0.00004731811956
                   +0 :               0.00000720942807
                   +1 :              -0.00002211249205
                3s
                   +0 :              -0.00019462661479
                4s
                   +0 :               0.00008962569908
                3p
                   -1 :              -0.00021231093897
                   +0 :              -0.00004189276765
                   +1 :               0.00007948676178
                4p
                   -1 :               0.00006414452799
                   +0 :               0.00003225863285
                   +1 :               0.00000622456940
                3d
                   -2 :              -0.00003197750127
                   -1 :              -0.00001295322876
                   +0 :               0.00002663347093
                   +1 :               0.00002805812014
                   +2 :               0.00003390369334
             10 vec=    -7.780163     10.723313     -9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00001174047373
                2p
                   -1 :              -0.00004657875072
                   +0 :               0.00000698394307
                   +1 :               0.00004086789408
                3s
                   +0 :              -0.00001125744419
                4s
                   +0 :              -0.00002182296828
                3p
                   -1 :               0.00019523084782
                   +0 :              -0.00003887291952
                   +1 :              -0.00012818235984
                4p
                   -1 :              -0.00007143108466
                   +0 :               0.00000733743672
                   +1 :               0.00001582187590
                3d
                   -2 :              -0.00001584444336
                   -1 :              -0.00002166599458
                   +0 :               0.00002264556405
                   +1 :               0.00002169979239
                   +2 :              -0.00007205036753
             11 vec=     7.780163     10.723313     -9.762967   |vec|=   16.457092
                2s
                   +0 :              -0.00000875172290
                2p
                   -1 :               0.00001120176236
                   +0 :               0.00000014247733
                   +1 :               0.00001721478153
                3s
                   +0 :               0.00013565382272
                4s
                   +0 :              -0.00006563128588
                3p
                   -1 :               0.00003473768629
                   +0 :              -0.00004137949596
                   +1 :              -0.00004888393561
                4p
                   -1 :              -0.00003924923164
                   +0 :               0.00003828859600
                   +1 :               0.00001424058092
                3d
                   -2 :              -0.00001376652353
                   -1 :               0.00002076246171
                   +0 :              -0.00002224332680
                   +1 :              -0.00000091494821
                   +2 :               0.00002809124306
             12 vec=    -7.780163      1.739555     14.784576   |vec|=   16.797043
                2s
                   +0 :               0.00010009268467
                2p
                   -1 :              -0.00002066832771
                   +0 :               0.00004064783573
                   +1 :              -0.00004808926816
                3s
                   +0 :              -0.00043790934891
                4s
                   +0 :               0.00014057958344
                3p
                   -1 :               0.00018563607134
                   +0 :              -0.00025580954965
                   +1 :               0.00031509552016
                4p
                   -1 :              -0.00002877192133
                   +0 :               0.00009099744695
                   +1 :              -0.00007197981542
                3d
                   -2 :              -0.00001732745000
                   -1 :               0.00005819927866
                   +0 :               0.00000101964316
                   +1 :               0.00005858902243
                   +2 :              -0.00003388862079
             13 vec=     7.780163      1.739555     14.784576   |vec|=   16.797043
                2s
                   +0 :              -0.00003144364341
                2p
                   -1 :              -0.00004464516746
                   +0 :               0.00000020372248
                   +1 :               0.00000533473630
                3s
                   +0 :               0.00003311681777
                4s
                   +0 :              -0.00002147846033
                3p
                   -1 :               0.00013698860572
                   +0 :              -0.00010355062561
                   +1 :              -0.00005364853969
                4p
                   -1 :              -0.00003385754891
                   +0 :               0.00000299557088
                   +1 :               0.00001165907080
                3d
                   -2 :              -0.00004368324075
                   -1 :               0.00000828044116
                   +0 :              -0.00007212219096
                   +1 :              -0.00003290317548
                   +2 :              -0.00001221752886
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 13)  npairs=  14
              1 vec=    -0.209546      0.363243      8.182514   |vec|=    8.193253
                1s
                   +0 :              -0.00021474303998
                2s
                   +0 :               0.00131321161437
                3s
                   +0 :              -0.00042982229391
                2p
                   -1 :               0.00045331456696
                   +0 :              -0.00045084405863
                   +1 :              -0.00188231568729
                3p
                   -1 :              -0.00024516257639
                   +0 :               0.00058303013027
                   +1 :               0.00034405155875
                3d
                   -2 :              -0.00014524229345
                   -1 :              -0.00005126502944
                   +0 :               0.00004466358998
                   +1 :              -0.00003548657642
                   +2 :               0.00001365446936
              2 vec=    -0.209546     -8.620515      8.182514   |vec|=   11.887419
                1s
                   +0 :              -0.00009836942732
                2s
                   +0 :               0.00045466055032
                3s
                   +0 :              -0.00023635359967
                2p
                   -1 :               0.00067734302087
                   +0 :              -0.00012088172407
                   +1 :              -0.00019016719479
                3p
                   -1 :              -0.00055495158437
                   +0 :               0.00020009674616
                   +1 :               0.00002194991290
                3d
                   -2 :               0.00001405812722
                   -1 :              -0.00003795075646
                   +0 :               0.00000589846761
                   +1 :              -0.00002958806374
                   +2 :              -0.00003993915761
              3 vec=     7.570617     -4.128636      8.182514   |vec|=   11.887532
                1s
                   +0 :               0.00004230902808
                2s
                   +0 :              -0.00030105525820
                3s
                   +0 :               0.00034224178082
                2p
                   -1 :               0.00017006515653
                   +0 :              -0.00017187531061
                   +1 :               0.00059011910918
                3p
                   -1 :              -0.00041074834789
                   +0 :               0.00030216962716
                   +1 :               0.00002701311447
                3d
                   -2 :              -0.00005097668436
                   -1 :              -0.00001296162314
                   +0 :              -0.00009419019341
                   +1 :               0.00008433909049
                   +2 :               0.00003517897453
              4 vec=    -7.989708     -4.128636      8.182514   |vec|=   12.158726
                1s
                   +0 :               0.00002346656933
                2s
                   +0 :              -0.00066512613468
                3s
                   +0 :               0.00010345808100
                2p
                   -1 :              -0.00011489893116
                   +0 :              -0.00052441276015
                   +1 :               0.00034657838460
                3p
                   -1 :               0.00030810517802
                   +0 :               0.00003641257933
                   +1 :              -0.00010352099636
                3d
                   -2 :              -0.00002569609244
                   -1 :               0.00000141998201
                   +0 :              -0.00000504969418
                   +1 :              -0.00004162371646
                   +2 :               0.00005090591520
              5 vec=     7.570617      4.855122      8.182514   |vec|=   12.158947
                1s
                   +0 :               0.00004229038062
                2s
                   +0 :               0.00015440632429
                3s
                   +0 :               0.00010142479574
                2p
                   -1 :               0.00058942009400
                   +0 :               0.00057005494938
                   +1 :              -0.00007195605502
                3p
                   -1 :              -0.00043647765351
                   +0 :              -0.00043200852869
                   +1 :               0.00018377495744
                3d
                   -2 :               0.00001483025253
                   -1 :              -0.00001361826106
                   +0 :               0.00003958376511
                   +1 :               0.00004850529358
                   +2 :               0.00003162259112
              6 vec=    -7.989708      4.855122      8.182514   |vec|=   12.424218
                1s
                   +0 :               0.00011229625061
                2s
                   +0 :              -0.00082741044104
                3s
                   +0 :               0.00031441271734
                2p
                   -1 :              -0.00087157190240
                   +0 :              -0.00056746577466
                   +1 :               0.00120654835131
                3p
                   -1 :               0.00058653802824
                   +0 :               0.00044216260657
                   +1 :              -0.00092461029452
                3d
                   -2 :              -0.00005102181951
                   -1 :              -0.00000604918649
                   +0 :               0.00002152264432
                   +1 :              -0.00006832733185
                   +2 :               0.00003622031256
              7 vec=    -0.209546      9.347001      8.182514   |vec|=   12.424326
                1s
                   +0 :               0.00000718409554
                2s
                   +0 :              -0.00001540251936
                3s
                   +0 :              -0.00003018875592
                2p
                   -1 :               0.00021691681207
                   +0 :               0.00003085606335
                   +1 :              -0.00041280561793
                3p
                   -1 :              -0.00017303221580
                   +0 :              -0.00008911332824
                   +1 :               0.00011954393098
                3d
                   -2 :               0.00001372788897
                   -1 :              -0.00000094369055
                   +0 :               0.00000437857268
                   +1 :              -0.00002755949715
                   +2 :               0.00000926563558
              8 vec=    -0.209546      0.363243    -16.365028   |vec|=   16.370400
                1s
                   +0 :              -0.00001265982543
                2s
                   +0 :               0.00006263221799
                3s
                   +0 :              -0.00004970218361
                2p
                   -1 :              -0.00008713122192
                   +0 :              -0.00000932530932
                   +1 :               0.00005757406706
                3p
                   -1 :               0.00006360230580
                   +0 :               0.00002464272030
                   +1 :              -0.00007485447589
                3d
                   -2 :               0.00000604784836
                   -1 :              -0.00000538556605
                   +0 :              -0.00000081193126
                   +1 :               0.00000589231582
                   +2 :               0.00000126030153
              9 vec=     7.570617    -13.112394      8.182514   |vec|=   17.210539
                1s
                   +0 :              -0.00002361308068
                2s
                   +0 :               0.00023117685197
                3s
                   +0 :              -0.00007019293930
                2p
                   -1 :              -0.00019603786163
                   +0 :               0.00014661332055
                   +1 :               0.00007490749374
                3p
                   -1 :               0.00010071688793
                   +0 :              -0.00009155457022
                   +1 :              -0.00003550155211
                3d
                   -2 :               0.00000794432773
                   -1 :               0.00000928003502
                   +0 :              -0.00000387105850
                   +1 :              -0.00000814301092
                   +2 :              -0.00000562132624
             10 vec=    -7.989708    -13.112394      8.182514   |vec|=   17.398961
                1s
                   +0 :               0.00000052294678
                2s
                   +0 :              -0.00006383872775
                3s
                   +0 :              -0.00000608000675
                2p
                   -1 :               0.00002958189038
                   +0 :              -0.00005097252008
                   +1 :              -0.00001327290050
                3p
                   -1 :               0.00003205055099
                   +0 :              -0.00001351022652
                   +1 :              -0.00000308023959
                3d
                   -2 :               0.00000313971934
                   -1 :              -0.00000362559949
                   +0 :              -0.00000496461740
                   +1 :              -0.00000043289609
                   +2 :               0.00000495361177
             11 vec=    15.350780      0.363243      8.182514   |vec|=   17.399193
                1s
                   +0 :              -0.00002208353727
                2s
                   +0 :               0.00015804221147
                3s
                   +0 :              -0.00003523446398
                2p
                   -1 :              -0.00003370622404
                   +0 :              -0.00008031823845
                   +1 :               0.00009762238691
                3p
                   -1 :               0.00004819161205
                   +0 :               0.00009732409894
                   +1 :              -0.00006043563188
                3d
                   -2 :               0.00000778668621
                   -1 :              -0.00000158976671
                   +0 :               0.00001073020171
                   +1 :               0.00001396588033
                   +2 :              -0.00000270463995
             12 vec=   -15.769871      0.363243      8.182514   |vec|=   17.770040
                1s
                   +0 :               0.00000305381649
                2s
                   +0 :              -0.00005919656995
                3s
                   +0 :              -0.00002059821453
                2p
                   -1 :              -0.00006567034512
                   +0 :              -0.00011566851466
                   +1 :               0.00007148035567
                3p
                   -1 :               0.00003542338349
                   +0 :               0.00002637886723
                   +1 :              -0.00003273916463
                3d
                   -2 :               0.00000110746983
                   -1 :              -0.00000343496004
                   +0 :              -0.00000599275823
                   +1 :               0.00000188762053
                   +2 :               0.00000337592702
             13 vec=     7.570617     13.838880      8.182514   |vec|=   17.770267
                1s
                   +0 :               0.00000547254067
                2s
                   +0 :              -0.00002385045186
                3s
                   +0 :               0.00000187821061
                2p
                   -1 :              -0.00009480067950
                   +0 :               0.00006935422962
                   +1 :               0.00000636645523
                3p
                   -1 :               0.00006999133934
                   +0 :              -0.00005051849840
                   +1 :              -0.00001645924579
                3d
                   -2 :               0.00000471674962
                   -1 :              -0.00000483413777
                   +0 :               0.00000717028014
                   +1 :              -0.00000390702537
                   +2 :              -0.00000152478695
             14 vec=    -7.989708     13.838880      8.182514   |vec|=   17.952816
                1s
                   +0 :               0.00001309702286
                2s
                   +0 :              -0.00010207528447
                3s
                   +0 :               0.00003412637084
                2p
                   -1 :              -0.00001356357922
                   +0 :               0.00001077606879
                   +1 :              -0.00000885139133
                3p
                   -1 :               0.00000485934246
                   +0 :              -0.00003709761144
                   +1 :               0.00001610255037
                3d
                   -2 :              -0.00000064544260
                   -1 :              -0.00000088139909
                   +0 :              -0.00000277798596
                   +1 :               0.00000242479778
                   +2 :              -0.00000249413434
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 14)  npairs=  15
              1 vec=     2.802933     -4.128636      8.182514   |vec|=    9.584133
                1s
                   +0 :              -0.00016432896178
                2s
                   +0 :               0.00188771088954
                3s
                   +0 :              -0.00001748976632
                2p
                   -1 :              -0.00223160875982
                   +0 :               0.00038712213669
                   +1 :              -0.00068915197156
                3p
                   -1 :               0.00060921476803
                   +0 :               0.00108927572983
                   +1 :               0.00047518673467
                3d
                   -2 :              -0.00006523818160
                   -1 :              -0.00003057408868
                   +0 :              -0.00000032980484
                   +1 :               0.00007960728061
                   +2 :              -0.00005927690804
              2 vec=    -4.977229      0.363243      8.182514   |vec|=    9.584273
                1s
                   +0 :               0.00035936593268
                2s
                   +0 :              -0.00366492429308
                3s
                   +0 :               0.00108995802687
                2p
                   -1 :              -0.00174108353949
                   +0 :              -0.00394346329325
                   +1 :               0.00154399858863
                3p
                   -1 :              -0.00034748257603
                   +0 :               0.00116525028625
                   +1 :              -0.00096869324496
                3d
                   -2 :               0.00021824903422
                   -1 :              -0.00030509460609
                   +0 :              -0.00008729737577
                   +1 :              -0.00017377016589
                   +2 :               0.00008173331330
              3 vec=     2.802933      4.855122      8.182514   |vec|=    9.918779
                1s
                   +0 :               0.00008100092243
                2s
                   +0 :              -0.00081737528975
                3s
                   +0 :               0.00027379861925
                2p
                   -1 :              -0.00101106188883
                   +0 :              -0.00062371655999
                   +1 :              -0.00034124805012
                3p
                   -1 :               0.00086359017475
                   +0 :               0.00049375302449
                   +1 :               0.00004194336503
                3d
                   -2 :              -0.00000922613459
                   -1 :               0.00000332550013
                   +0 :              -0.00007472546079
                   +1 :               0.00002393290854
                   +2 :               0.00001423248736
              4 vec=    -4.977229     -8.620515      8.182514   |vec|=   12.885636
                1s
                   +0 :               0.00001872838470
                2s
                   +0 :              -0.00021719171479
                3s
                   +0 :              -0.00008811878667
                2p
                   -1 :              -0.00009062955103
                   +0 :               0.00027164340349
                   +1 :               0.00010081059454
                3p
                   -1 :               0.00015584020417
                   +0 :              -0.00033559010056
                   +1 :               0.00004348784113
                3d
                   -2 :              -0.00003491873511
                   -1 :               0.00003116601352
                   +0 :              -0.00003570521772
                   +1 :               0.00005754082415
                   +2 :              -0.00001205324927
              5 vec=    10.583096      0.363243      8.182514   |vec|=   13.382354
                1s
                   +0 :              -0.00003411879073
                2s
                   +0 :               0.00061410845452
                3s
                   +0 :              -0.00006083517338
                2p
                   -1 :               0.00015401515595
                   +0 :              -0.00007038585735
                   +1 :              -0.00000211259454
                3p
                   -1 :              -0.00000807344871
                   +0 :               0.00019242092071
                   +1 :               0.00033101719439
                3d
                   -2 :               0.00003189493419
                   -1 :              -0.00000053127481
                   +0 :              -0.00000303659689
                   +1 :               0.00000494677596
                   +2 :              -0.00001399056307
              6 vec=    -4.977229      9.347001      8.182514   |vec|=   13.382555
                1s
                   +0 :              -0.00001183392239
                2s
                   +0 :              -0.00013499466506
                3s
                   +0 :               0.00000538629396
                2p
                   -1 :               0.00027976969934
                   +0 :              -0.00012839039140
                   +1 :               0.00021997816104
                3p
                   -1 :              -0.00021549778146
                   +0 :              -0.00005303412003
                   +1 :              -0.00016765657183
                3d
                   -2 :              -0.00001031351303
                   -1 :               0.00003268388820
                   +0 :               0.00001273258851
                   +1 :               0.00001134084844
                   +2 :              -0.00000863451321
              7 vec=     2.802933    -13.112394      8.182514   |vec|=   15.708114
                1s
                   +0 :              -0.00001855233962
                2s
                   +0 :               0.00014171594016
                3s
                   +0 :              -0.00004810824165
                2p
                   -1 :              -0.00011347654779
                   +0 :               0.00005378957258
                   +1 :              -0.00015344598794
                3p
                   -1 :               0.00007514235587
                   +0 :              -0.00003188202781
                   +1 :               0.00009292424045
                3d
                   -2 :               0.00000208578924
                   -1 :              -0.00000041423996
                   +0 :              -0.00000163027140
                   +1 :               0.00000017030654
                   +2 :               0.00000214771840
              8 vec=   -12.757392     -4.128636      8.182514   |vec|=   15.708285
                1s
                   +0 :              -0.00001594971824
                2s
                   +0 :               0.00012264296334
                3s
                   +0 :              -0.00009264921685
                2p
                   -1 :              -0.00021907671988
                   +0 :               0.00012943795477
                   +1 :              -0.00016699219996
                3p
                   -1 :               0.00014513320144
                   +0 :              -0.00002681872005
                   +1 :               0.00012943537864
                3d
                   -2 :              -0.00001096460268
                   -1 :               0.00001129191629
                   +0 :               0.00000633413882
                   +1 :               0.00000281201305
                   +2 :              -0.00000615603518
              9 vec=    10.583096     -8.620515      8.182514   |vec|=   15.914419
                1s
                   +0 :              -0.00001173126419
                2s
                   +0 :               0.00016609116027
                3s
                   +0 :              -0.00000890303939
                2p
                   -1 :              -0.00004893600675
                   +0 :               0.00006104632017
                   +1 :               0.00013107778328
                3p
                   -1 :              -0.00000993018409
                   +0 :               0.00002213846307
                   +1 :              -0.00005839899672
                3d
                   -2 :               0.00000435242457
                   -1 :              -0.00001100398590
                   +0 :               0.00000132638283
                   +1 :               0.00000551379982
                   +2 :              -0.00000502175474
             10 vec=   -12.757392      4.855122      8.182514   |vec|=   15.914673
                1s
                   +0 :              -0.00006480916503
                2s
                   +0 :               0.00038535867012
                3s
                   +0 :              -0.00024612310810
                2p
                   -1 :               0.00002982117674
                   +0 :               0.00004730555242
                   +1 :              -0.00004971571419
                3p
                   -1 :               0.00000691720615
                   +0 :              -0.00007268911140
                   +1 :               0.00007012834997
                3d
                   -2 :              -0.00001859793600
                   -1 :               0.00001265723333
                   +0 :              -0.00001192723420
                   +1 :               0.00000848965004
                   +2 :              -0.00000423224029
             11 vec=    10.583096      9.347001      8.182514   |vec|=   16.319372
                1s
                   +0 :               0.00001117472116
                2s
                   +0 :              -0.00000225431253
                3s
                   +0 :               0.00006223947631
                2p
                   -1 :              -0.00017960554680
                   +0 :              -0.00020059779078
                   +1 :               0.00024501687342
                3p
                   -1 :               0.00022566513129
                   +0 :               0.00022442376238
                   +1 :              -0.00015848735862
                3d
                   -2 :               0.00000223994952
                   -1 :               0.00000689585560
                   +0 :               0.00000279342732
                   +1 :               0.00000597655538
                   +2 :              -0.00001738080127
             12 vec=     2.802933     13.838880      8.182514   |vec|=   16.319454
                1s
                   +0 :               0.00000822931281
                2s
                   +0 :              -0.00002899486980
                3s
                   +0 :               0.00000859260879
                2p
                   -1 :              -0.00001833405430
                   +0 :              -0.00001268208688
                   +1 :              -0.00013455557829
                3p
                   -1 :               0.00003005391032
                   +0 :               0.00002649610212
                   +1 :               0.00009829887726
                3d
                   -2 :              -0.00000114557213
                   -1 :              -0.00000106410212
                   +0 :              -0.00000244182286
                   +1 :              -0.00000406235448
                   +2 :              -0.00000255452772
             13 vec=     2.802933     -4.128636    -16.365028   |vec|=   17.108951
                1s
                   +0 :               0.00000712975355
                2s
                   +0 :              -0.00007434903187
                3s
                   +0 :               0.00001569622013
                2p
                   -1 :               0.00002218952247
                   +0 :               0.00013339099057
                   +1 :              -0.00005292037361
                3p
                   -1 :              -0.00001953146340
                   +0 :              -0.00003474470982
                   +1 :               0.00001819920478
                3d
                   -2 :              -0.00000377634534
                   -1 :               0.00000066768252
                   +0 :              -0.00000096491110
                   +1 :              -0.00000247439623
                   +2 :               0.00000285664367
             14 vec=    -4.977229      0.363243    -16.365028   |vec|=   17.109030
                1s
                   +0 :               0.00001097351274
                2s
                   +0 :              -0.00006969590641
                3s
                   +0 :               0.00003888210520
                2p
                   -1 :              -0.00004087141580
                   +0 :               0.00007965073911
                   +1 :              -0.00004580413420
                3p
                   -1 :               0.00003965200942
                   +0 :              -0.00002862587608
                   +1 :               0.00002250634620
                3d
                   -2 :              -0.00000198249137
                   -1 :               0.00000056622661
                   +0 :               0.00000656587709
                   +1 :               0.00000085535801
                   +2 :               0.00000152898865
             15 vec=     2.802933      4.855122    -16.365028   |vec|=   17.298636
                1s
                   +0 :              -0.00000859375691
                2s
                   +0 :               0.00008372895167
                3s
                   +0 :              -0.00001259938516
                2p
                   -1 :               0.00009194650735
                   +0 :              -0.00000294143207
                   +1 :              -0.00012768338138
                3p
                   -1 :              -0.00004684956798
                   +0 :              -0.00006879599437
                   +1 :               0.00004462200604
                3d
                   -2 :              -0.00000387248536
                   -1 :              -0.00000190723842
                   +0 :               0.00000710359475
                   +1 :               0.00000212621569
                   +2 :              -0.00000416032736
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 15)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00039533682495
                2s
                   +0 :              -0.00335295240261
                3s
                   +0 :               0.00083673916667
                2p
                   -1 :               0.00329134970539
                   +0 :              -0.00299791524147
                   +1 :              -0.00241226549180
                3p
                   -1 :              -0.00122106189608
                   +0 :               0.00114041765277
                   +1 :               0.00116125573380
                3d
                   -2 :               0.00007147120081
                   -1 :               0.00004241452718
                   +0 :              -0.00002157671796
                   +1 :               0.00006402364825
                   +2 :              -0.00002095447131
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00015112455039
                2s
                   +0 :               0.00172296757429
                3s
                   +0 :              -0.00006427245206
                2p
                   -1 :               0.00077261076886
                   +0 :               0.00233242936767
                   +1 :               0.00141909635628
                3p
                   -1 :              -0.00007603124272
                   +0 :              -0.00058433945786
                   +1 :              -0.00007376942507
                3d
                   -2 :              -0.00001273187814
                   -1 :               0.00000264907751
                   +0 :              -0.00003242684089
                   +1 :               0.00008776237240
                   +2 :               0.00002860508581
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00004816053922
                2s
                   +0 :              -0.00018851253131
                3s
                   +0 :               0.00029856208701
                2p
                   -1 :               0.00063647800072
                   +0 :              -0.00158544556794
                   +1 :              -0.00134934218780
                3p
                   -1 :               0.00005304910548
                   +0 :               0.00166566535142
                   +1 :               0.00084129559786
                3d
                   -2 :               0.00007611113618
                   -1 :               0.00009922097279
                   +0 :              -0.00005836444826
                   +1 :               0.00007612850235
                   +2 :              -0.00006879910981
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00005617190653
                2s
                   +0 :               0.00059368431210
                3s
                   +0 :              -0.00006009144292
                2p
                   -1 :              -0.00017542248717
                   +0 :               0.00007850603540
                   +1 :               0.00027004818364
                3p
                   -1 :              -0.00012941639322
                   +0 :               0.00000033120245
                   +1 :              -0.00021549038600
                3d
                   -2 :              -0.00001087402124
                   -1 :              -0.00003987530656
                   +0 :               0.00002632629821
                   +1 :               0.00001548892596
                   +2 :              -0.00001921655386
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001646858864
                2s
                   +0 :              -0.00003142988839
                3s
                   +0 :              -0.00001527621726
                2p
                   -1 :               0.00000731746332
                   +0 :              -0.00034261178183
                   +1 :              -0.00026563560503
                3p
                   -1 :              -0.00007515416784
                   +0 :               0.00025866462009
                   +1 :               0.00013586682923
                3d
                   -2 :              -0.00001069599209
                   -1 :              -0.00000820440954
                   +0 :              -0.00002718929982
                   +1 :              -0.00002608047756
                   +2 :               0.00001270285697
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00010479164353
                2s
                   +0 :               0.00076758167546
                3s
                   +0 :              -0.00042360450015
                2p
                   -1 :               0.00008737448911
                   +0 :               0.00009166089545
                   +1 :              -0.00012823298641
                3p
                   -1 :              -0.00019102975346
                   +0 :              -0.00012891519890
                   +1 :               0.00017163679031
                3d
                   -2 :               0.00001534630429
                   -1 :              -0.00007377008780
                   +0 :              -0.00000527832668
                   +1 :               0.00003341387110
                   +2 :               0.00003521709815
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000456041739
                2s
                   +0 :              -0.00000534011943
                3s
                   +0 :               0.00001542953907
                2p
                   -1 :              -0.00002160818194
                   +0 :              -0.00014923191925
                   +1 :              -0.00014092475934
                3p
                   -1 :               0.00000148943346
                   +0 :               0.00011665505320
                   +1 :               0.00011207811822
                3d
                   -2 :              -0.00001241648828
                   -1 :              -0.00000818590431
                   +0 :               0.00000740729258
                   +1 :               0.00000812138687
                   +2 :               0.00000509142408
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002675499068
                2s
                   +0 :              -0.00022021901186
                3s
                   +0 :               0.00006462112951
                2p
                   -1 :               0.00016902415831
                   +0 :              -0.00008750634998
                   +1 :               0.00010834249627
                3p
                   -1 :              -0.00013986358674
                   +0 :               0.00001995144938
                   +1 :              -0.00004126597196
                3d
                   -2 :              -0.00000030694879
                   -1 :               0.00000260485901
                   +0 :              -0.00000168523665
                   +1 :               0.00000819935763
                   +2 :              -0.00000496825681
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00005717798905
                2s
                   +0 :               0.00046337301552
                3s
                   +0 :              -0.00011636480573
                2p
                   -1 :              -0.00035512023094
                   +0 :               0.00021807287830
                   +1 :               0.00032525889896
                3p
                   -1 :               0.00022806257956
                   +0 :              -0.00009961208017
                   +1 :              -0.00014173769204
                3d
                   -2 :               0.00001060271324
                   -1 :               0.00000371230402
                   +0 :               0.00000081529796
                   +1 :              -0.00000489598927
                   +2 :               0.00001301755390
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00003325724294
                2s
                   +0 :               0.00023519809726
                3s
                   +0 :              -0.00008005348677
                2p
                   -1 :               0.00016675236886
                   +0 :               0.00010428799342
                   +1 :               0.00019380944381
                3p
                   -1 :              -0.00010537560594
                   +0 :              -0.00008027354944
                   +1 :              -0.00012960043795
                3d
                   -2 :              -0.00001054367682
                   -1 :               0.00001296175116
                   +0 :              -0.00000875691068
                   +1 :              -0.00000863929726
                   +2 :              -0.00000585876432
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001884808433
                2s
                   +0 :               0.00008011028943
                3s
                   +0 :              -0.00003930432573
                2p
                   -1 :               0.00016715101997
                   +0 :              -0.00003255710520
                   +1 :              -0.00005498125659
                3p
                   -1 :              -0.00013730831004
                   +0 :               0.00004957864054
                   +1 :               0.00007229215682
                3d
                   -2 :              -0.00000104444824
                   -1 :               0.00002211323384
                   +0 :               0.00000793391496
                   +1 :               0.00000058251644
                   +2 :              -0.00000204118320
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00001525309907
                2s
                   +0 :              -0.00014024330803
                3s
                   +0 :               0.00010427229227
                2p
                   -1 :              -0.00015494389102
                   +0 :               0.00005271420436
                   +1 :               0.00004356146307
                3p
                   -1 :               0.00012318660213
                   +0 :               0.00002226168276
                   +1 :              -0.00004107034853
                3d
                   -2 :               0.00000119289106
                   -1 :               0.00003859009752
                   +0 :               0.00002131681754
                   +1 :              -0.00000101030678
                   +2 :              -0.00002219177696
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002005274844
                2s
                   +0 :               0.00016475603316
                3s
                   +0 :              -0.00006007638618
                2p
                   -1 :               0.00011509009607
                   +0 :              -0.00011086480770
                   +1 :              -0.00006434920304
                3p
                   -1 :              -0.00008184203827
                   +0 :               0.00003400194959
                   +1 :               0.00001388769958
                3d
                   -2 :              -0.00000482665381
                   -1 :               0.00000311666769
                   +0 :               0.00000688165791
                   +1 :               0.00000362430718
                   +2 :               0.00000635324640
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000768942379
                2s
                   +0 :               0.00004020103611
                3s
                   +0 :              -0.00002499636302
                2p
                   -1 :              -0.00006581536343
                   +0 :              -0.00004139966392
                   +1 :              -0.00003451729796
                3p
                   -1 :               0.00002209655862
                   +0 :               0.00002990094619
                   +1 :               0.00001043761866
                3d
                   -2 :              -0.00000399122542
                   -1 :               0.00000275753221
                   +0 :              -0.00000132088382
                   +1 :              -0.00000131495832
                   +2 :               0.00000265083377
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001520031023
                2s
                   +0 :               0.00006318182233
                3s
                   +0 :              -0.00005210736766
                2p
                   -1 :              -0.00000809290596
                   +0 :               0.00000085202171
                   +1 :              -0.00011216955078
                3p
                   -1 :              -0.00001113795930
                   +0 :               0.00005628821111
                   +1 :               0.00006662688370
                3d
                   -2 :               0.00000212277272
                   -1 :               0.00000416117850
                   +0 :               0.00000073709731
                   +1 :              -0.00000028799134
                   +2 :               0.00000513438912
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 16)  npairs=  14
              1 vec=     2.802933     -1.376012     -4.091257   |vec|=    5.146672
                1s
                   +0 :              -0.00276965836092
                2s
                   +0 :               0.04495942801127
                3s
                   +0 :              -0.00504185741675
                2p
                   -1 :              -0.00847626420633
                   +0 :              -0.02023358071179
                   +1 :               0.00884001169910
                3p
                   -1 :              -0.00045940577283
                   +0 :              -0.00195658486171
                   +1 :               0.00125608098449
                3d
                   -2 :              -0.00061248217964
                   -1 :               0.00206280328504
                   +0 :               0.00164607222765
                   +1 :              -0.00099627133239
                   +2 :              -0.00011024087336
              2 vec=    -4.977229      3.115867     -4.091257   |vec|=    7.156803
                1s
                   +0 :               0.00118637763127
                2s
                   +0 :              -0.00945156178477
                3s
                   +0 :               0.00509587426558
                2p
                   -1 :              -0.00486625744142
                   +0 :               0.01107829318251
                   +1 :               0.01022548815452
                3p
                   -1 :               0.00403155380020
                   +0 :              -0.00769180210636
                   +1 :              -0.00774140439811
                3d
                   -2 :              -0.00036517264397
                   -1 :              -0.00051281746158
                   +0 :               0.00046571497851
                   +1 :               0.00107256908543
                   +2 :               0.00020213306296
              3 vec=    -4.977229     -5.867891     -4.091257   |vec|=    8.714548
                1s
                   +0 :              -0.00005872136418
                2s
                   +0 :               0.00038802246366
                3s
                   +0 :              -0.00038885874138
                2p
                   -1 :               0.00213465151356
                   +0 :               0.00189476083521
                   +1 :               0.00018424695215
                3p
                   -1 :              -0.00174523284115
                   +0 :              -0.00059908587584
                   +1 :               0.00035839711820
                3d
                   -2 :               0.00019699053228
                   -1 :               0.00009597383771
                   +0 :              -0.00003481667374
                   +1 :               0.00005605468492
                   +2 :              -0.00006106828607
              4 vec=     2.802933      7.607746     -4.091257   |vec|=    9.081443
                1s
                   +0 :              -0.00034529056744
                2s
                   +0 :               0.00198505936195
                3s
                   +0 :              -0.00085770779181
                2p
                   -1 :              -0.00073507521877
                   +0 :              -0.00161620853713
                   +1 :              -0.00058591770447
                3p
                   -1 :               0.00061128156888
                   +0 :               0.00017236512733
                   +1 :               0.00008787792009
                3d
                   -2 :               0.00008067443822
                   -1 :              -0.00026526492941
                   +0 :              -0.00001207828991
                   +1 :              -0.00002957454314
                   +2 :              -0.00013524070844
              5 vec=     2.802933    -10.359770     -4.091257   |vec|=   11.485628
                1s
                   +0 :              -0.00005539230267
                2s
                   +0 :               0.00039293703875
                3s
                   +0 :               0.00005367338671
                2p
                   -1 :              -0.00033863250159
                   +0 :               0.00035175658223
                   +1 :              -0.00059684951083
                3p
                   -1 :              -0.00022717392546
                   +0 :              -0.00050591278257
                   +1 :               0.00048195577312
                3d
                   -2 :              -0.00003557630419
                   -1 :               0.00007063444530
                   +0 :              -0.00007984905382
                   +1 :               0.00003016445530
                   +2 :              -0.00005024555440
              6 vec=    10.583096      3.115867     -4.091257   |vec|=   11.766432
                1s
                   +0 :              -0.00002429984385
                2s
                   +0 :               0.00031172252267
                3s
                   +0 :               0.00003344852785
                2p
                   -1 :               0.00022289320529
                   +0 :              -0.00056266014543
                   +1 :               0.00078063104254
                3p
                   -1 :              -0.00007353879267
                   +0 :               0.00044378423762
                   +1 :              -0.00051270096940
                3d
                   -2 :               0.00001213330059
                   -1 :              -0.00001643420511
                   +0 :              -0.00007234732199
                   +1 :               0.00003036746376
                   +2 :               0.00003366088679
              7 vec=    10.583096     -5.867891     -4.091257   |vec|=   12.773897
                1s
                   +0 :              -0.00004179918931
                2s
                   +0 :               0.00054193554052
                3s
                   +0 :              -0.00008905937857
                2p
                   -1 :               0.00013296591957
                   +0 :               0.00012524718283
                   +1 :              -0.00024381589714
                3p
                   -1 :              -0.00018040976643
                   +0 :              -0.00019107519138
                   +1 :               0.00026748100522
                3d
                   -2 :              -0.00001608852810
                   -1 :               0.00000226361300
                   +0 :               0.00000412959283
                   +1 :              -0.00001210701391
                   +2 :               0.00000211764358
              8 vec=   -12.757392     -1.376012     -4.091257   |vec|=   13.467845
                1s
                   +0 :               0.00001798579861
                2s
                   +0 :              -0.00046946138057
                3s
                   +0 :              -0.00009288440169
                2p
                   -1 :              -0.00021055293635
                   +0 :               0.00009415555402
                   +1 :              -0.00018447498325
                3p
                   -1 :               0.00032311296946
                   +0 :               0.00023965515300
                   +1 :               0.00025559285771
                3d
                   -2 :              -0.00004265670340
                   -1 :              -0.00002952190357
                   +0 :              -0.00003981282120
                   +1 :              -0.00002220993565
                   +2 :              -0.00000447718490
              9 vec=    -4.977229     12.099625     -4.091257   |vec|=   13.708104
                1s
                   +0 :              -0.00015050035667
                2s
                   +0 :               0.00079977839442
                3s
                   +0 :              -0.00047347568889
                2p
                   -1 :              -0.00019332821604
                   +0 :              -0.00019797168047
                   +1 :              -0.00000584526939
                3p
                   -1 :               0.00022223997818
                   +0 :               0.00014958375015
                   +1 :              -0.00006225508555
                3d
                   -2 :               0.00001048135210
                   -1 :              -0.00001518323742
                   +0 :              -0.00000829611058
                   +1 :              -0.00000050358015
                   +2 :              -0.00002600885142
             10 vec=   -12.757392      7.607746     -4.091257   |vec|=   15.406727
                1s
                   +0 :              -0.00000579217340
                2s
                   +0 :               0.00001433674812
                3s
                   +0 :              -0.00009838242083
                2p
                   -1 :              -0.00010174571837
                   +0 :               0.00012028847643
                   +1 :              -0.00014432641398
                3p
                   -1 :               0.00002331379025
                   +0 :              -0.00005861783189
                   +1 :               0.00017893514031
                3d
                   -2 :              -0.00000074702076
                   -1 :              -0.00000881023433
                   +0 :              -0.00001384697504
                   +1 :               0.00000567891212
                   +2 :              -0.00001506544181
             11 vec=    -4.977229    -14.851649     -4.091257   |vec|=   16.188968
                1s
                   +0 :               0.00002903559803
                2s
                   +0 :              -0.00017778410438
                3s
                   +0 :               0.00007879060118
                2p
                   -1 :               0.00033014421142
                   +0 :              -0.00017306296310
                   +1 :              -0.00001587511372
                3p
                   -1 :              -0.00022699188143
                   +0 :               0.00014897123259
                   +1 :              -0.00001953634347
                3d
                   -2 :               0.00000698515028
                   -1 :              -0.00000738945348
                   +0 :              -0.00000455666315
                   +1 :              -0.00000728050446
                   +2 :              -0.00001732246980
             12 vec=    10.583096     12.099625     -4.091257   |vec|=   16.587381
                1s
                   +0 :              -0.00001563398541
                2s
                   +0 :               0.00015268892560
                3s
                   +0 :              -0.00005505529990
                2p
                   -1 :               0.00000288370704
                   +0 :              -0.00001716298433
                   +1 :              -0.00008175965249
                3p
                   -1 :               0.00006597531300
                   +0 :              -0.00001407361904
                   +1 :               0.00009284648664
                3d
                   -2 :               0.00000810926712
                   -1 :               0.00000524078734
                   +0 :              -0.00000695292006
                   +1 :               0.00000893401524
                   +2 :              -0.00001215633076
             13 vec=   -12.757392    -10.359770     -4.091257   |vec|=   16.935592
                1s
                   +0 :               0.00001417961240
                2s
                   +0 :              -0.00009046746085
                3s
                   +0 :               0.00001433673583
                2p
                   -1 :               0.00001121434239
                   +0 :              -0.00001943986183
                   +1 :              -0.00002816319728
                3p
                   -1 :               0.00002993683726
                   +0 :               0.00003578986835
                   +1 :               0.00006389242664
                3d
                   -2 :              -0.00001093207521
                   -1 :              -0.00000260724774
                   +0 :              -0.00000263832528
                   +1 :               0.00000219969250
                   +2 :               0.00000742868248
             14 vec=     2.802933     16.591504     -4.091257   |vec|=   17.316836
                1s
                   +0 :               0.00001377479259
                2s
                   +0 :              -0.00008940268314
                3s
                   +0 :               0.00004361776749
                2p
                   -1 :              -0.00004921455072
                   +0 :               0.00002576086355
                   +1 :               0.00000647743182
                3p
                   -1 :               0.00005557198853
                   +0 :               0.00001300436882
                   +1 :               0.00000383979576
                3d
                   -2 :              -0.00000278477141
                   -1 :               0.00000167795740
                   +0 :              -0.00000431392409
                   +1 :              -0.00000193708057
                   +2 :               0.00000056324525
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 17)  npairs=  14
              1 vec=    -0.209546      3.115867     -4.091257   |vec|=    5.146933
                1s
                   +0 :              -0.00154472968920
                2s
                   +0 :               0.00585553012349
                3s
                   +0 :              -0.00473938868674
                2p
                   -1 :               0.00819816460853
                   +0 :               0.00088659140173
                   +1 :              -0.00452587371598
                3p
                   -1 :              -0.00745345202756
                   +0 :               0.00141269766964
                   +1 :              -0.00355622177533
                3d
                   -2 :              -0.00087395075956
                   -1 :               0.00071482408244
                   +0 :              -0.00046991318726
                   +1 :               0.00165671850502
                   +2 :               0.00025450352936
              2 vec=    -0.209546     -5.867891     -4.091257   |vec|=    7.156427
                1s
                   +0 :              -0.00055376578448
                2s
                   +0 :               0.00414690329624
                3s
                   +0 :              -0.00178889887776
                2p
                   -1 :              -0.00229205665970
                   +0 :              -0.00107137532742
                   +1 :               0.00547256391354
                3p
                   -1 :               0.00122526063686
                   +0 :               0.00083997550879
                   +1 :              -0.00564606025760
                3d
                   -2 :               0.00011354424129
                   -1 :               0.00000469889144
                   +0 :               0.00001007129808
                   +1 :              -0.00002943405488
                   +2 :               0.00012778955071
              3 vec=     7.570617     -1.376012     -4.091257   |vec|=    8.714702
                1s
                   +0 :               0.00008116602237
                2s
                   +0 :              -0.00111922696066
                3s
                   +0 :               0.00056559081376
                2p
                   -1 :               0.00054710539377
                   +0 :               0.00015327716395
                   +1 :               0.00221401419865
                3p
                   -1 :              -0.00063739883672
                   +0 :              -0.00016588543435
                   +1 :              -0.00124736996762
                3d
                   -2 :              -0.00003504958276
                   -1 :              -0.00002458720050
                   +0 :               0.00000339285921
                   +1 :              -0.00003378791720
                   +2 :              -0.00013837949046
              4 vec=    -7.989708     -1.376012     -4.091257   |vec|=    9.081147
                1s
                   +0 :               0.00023188850070
                2s
                   +0 :              -0.00111880886751
                3s
                   +0 :               0.00040455790731
                2p
                   -1 :               0.00146835052474
                   +0 :               0.00362644128286
                   +1 :              -0.00041000833835
                3p
                   -1 :              -0.00063653766559
                   +0 :              -0.00220436660159
                   +1 :               0.00056332517026
                3d
                   -2 :               0.00003602599249
                   -1 :               0.00007413359818
                   +0 :              -0.00001293939715
                   +1 :               0.00002794816869
                   +2 :               0.00002591910527
              5 vec=     7.570617      7.607746     -4.091257   |vec|=   11.486097
                1s
                   +0 :              -0.00001495243271
                2s
                   +0 :               0.00042697383635
                3s
                   +0 :              -0.00009324044284
                2p
                   -1 :               0.00063739139298
                   +0 :              -0.00002728469656
                   +1 :               0.00058593052424
                3p
                   -1 :              -0.00026960125628
                   +0 :              -0.00011787768712
                   +1 :              -0.00051849903226
                3d
                   -2 :              -0.00001929095414
                   -1 :              -0.00010712753303
                   +0 :               0.00005460007178
                   +1 :              -0.00000106137443
                   +2 :              -0.00005191485314
              6 vec=    -7.989708      7.607746     -4.091257   |vec|=   11.766547
                1s
                   +0 :               0.00002396934115
                2s
                   +0 :              -0.00037355774354
                3s
                   +0 :               0.00010073061428
                2p
                   -1 :               0.00064313362151
                   +0 :               0.00108538297204
                   +1 :               0.00012053820920
                3p
                   -1 :              -0.00063816407137
                   +0 :              -0.00082021498399
                   +1 :              -0.00019161055293
                3d
                   -2 :               0.00006006572935
                   -1 :              -0.00005158769459
                   +0 :              -0.00009867375004
                   +1 :               0.00004528266456
                   +2 :               0.00003139435044
              7 vec=    -0.209546     12.099625     -4.091257   |vec|=   12.774318
                1s
                   +0 :               0.00000688543047
                2s
                   +0 :              -0.00001195505317
                3s
                   +0 :               0.00005698867319
                2p
                   -1 :               0.00008878331169
                   +0 :              -0.00054025285393
                   +1 :               0.00033023489284
                3p
                   -1 :              -0.00003618241550
                   +0 :               0.00038290116046
                   +1 :              -0.00017475567217
                3d
                   -2 :               0.00001202461895
                   -1 :               0.00000617564179
                   +0 :              -0.00001133321960
                   +1 :              -0.00001986507572
                   +2 :              -0.00003766872123
              8 vec=     7.570617    -10.359770     -4.091257   |vec|=   13.467645
                1s
                   +0 :              -0.00007145834041
                2s
                   +0 :               0.00082305104819
                3s
                   +0 :              -0.00011291211354
                2p
                   -1 :              -0.00022224412515
                   +0 :              -0.00042667290493
                   +1 :               0.00018253255490
                3p
                   -1 :               0.00006072050915
                   +0 :               0.00010722706612
                   +1 :              -0.00002450032008
                3d
                   -2 :              -0.00003931181824
                   -1 :               0.00000236344608
                   +0 :               0.00003566107950
                   +1 :               0.00001976097954
                   +2 :               0.00000965537633
              9 vec=    -7.989708    -10.359770     -4.091257   |vec|=   13.707613
                1s
                   +0 :              -0.00003406617002
                2s
                   +0 :              -0.00008532398682
                3s
                   +0 :              -0.00016439999352
                2p
                   -1 :              -0.00026723749515
                   +0 :               0.00005463564780
                   +1 :              -0.00016956812953
                3p
                   -1 :               0.00033702479419
                   +0 :               0.00011565371124
                   +1 :               0.00024212039989
                3d
                   -2 :              -0.00002577792684
                   -1 :              -0.00000106440889
                   +0 :              -0.00001137750181
                   +1 :              -0.00001032587353
                   +2 :               0.00000931365925
             10 vec=    -0.209546    -14.851649     -4.091257   |vec|=   15.406290
                1s
                   +0 :               0.00000022452443
                2s
                   +0 :               0.00001067414579
                3s
                   +0 :              -0.00001700342257
                2p
                   -1 :               0.00011919882645
                   +0 :               0.00001872932116
                   +1 :              -0.00004319600572
                3p
                   -1 :              -0.00008877525984
                   +0 :              -0.00002595389418
                   +1 :              -0.00001391890413
                3d
                   -2 :               0.00000021967237
                   -1 :               0.00000115521634
                   +0 :              -0.00000959453162
                   +1 :              -0.00000812157863
                   +2 :              -0.00001036469999
             11 vec=    15.350780      3.115867     -4.091257   |vec|=   16.189300
                1s
                   +0 :               0.00000641861885
                2s
                   +0 :               0.00005412693620
                3s
                   +0 :               0.00002438266855
                2p
                   -1 :               0.00004547977368
                   +0 :              -0.00006571742187
                   +1 :               0.00010153375712
                3p
                   -1 :               0.00000275542103
                   +0 :               0.00000727315151
                   +1 :               0.00000864337020
                3d
                   -2 :              -0.00000282698044
                   -1 :              -0.00000449402550
                   +0 :              -0.00001457102882
                   +1 :               0.00000806928825
                   +2 :              -0.00000061444023
             12 vec=   -15.769871      3.115867     -4.091257   |vec|=   16.587219
                1s
                   +0 :               0.00004517260484
                2s
                   +0 :              -0.00030727343428
                3s
                   +0 :               0.00009742642115
                2p
                   -1 :              -0.00009249410897
                   +0 :              -0.00016780545335
                   +1 :               0.00016708565587
                3p
                   -1 :               0.00003952476618
                   +0 :               0.00022425121071
                   +1 :              -0.00001576732209
                3d
                   -2 :               0.00000712278599
                   -1 :               0.00001118705349
                   +0 :               0.00000415724658
                   +1 :              -0.00001187921741
                   +2 :               0.00000307044001
             13 vec=    15.350780     -5.867891     -4.091257   |vec|=   16.935671
                1s
                   +0 :              -0.00002651531275
                2s
                   +0 :               0.00019054971776
                3s
                   +0 :              -0.00005944238921
                2p
                   -1 :               0.00003513850235
                   +0 :              -0.00003911605826
                   +1 :               0.00014929449773
                3p
                   -1 :              -0.00005345004046
                   +0 :               0.00000276526531
                   +1 :              -0.00007890013725
                3d
                   -2 :              -0.00000921620896
                   -1 :               0.00000159574324
                   +0 :               0.00000939142425
                   +1 :               0.00000293369235
                   +2 :               0.00000335357459
             14 vec=   -15.769871     -5.867891     -4.091257   |vec|=   17.316448
                1s
                   +0 :               0.00002483334840
                2s
                   +0 :              -0.00017296501966
                3s
                   +0 :               0.00005883179843
                2p
                   -1 :              -0.00009131016526
                   +0 :               0.00000154536335
                   +1 :              -0.00000631219360
                3p
                   -1 :               0.00008970076952
                   +0 :               0.00003018910488
                   +1 :               0.00007084207862
                3d
                   -2 :               0.00000164594097
                   -1 :              -0.00000055978999
                   +0 :              -0.00000385370308
                   +1 :              -0.00000144867394
                   +2 :              -0.00001166612110
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 18)  npairs=  14
              1 vec=    -2.593388     -1.013068     -4.091257   |vec|=    4.948773
                1s
                   +0 :               0.00186527354501
                2s
                   +0 :              -0.04994934572359
                3s
                   +0 :               0.00400752763206
                2p
                   -1 :               0.00656478400631
                   +0 :               0.03296470308361
                   +1 :               0.00879869874376
                3p
                   -1 :               0.00217940705935
                   +0 :              -0.00428257576261
                   +1 :              -0.00362136480245
                3d
                   -2 :              -0.00082056449445
                   -1 :              -0.00124080904911
                   +0 :              -0.00182574134825
                   +1 :               0.00004510351672
                   +2 :               0.00009522469580
              2 vec=     5.186775      3.478811     -4.091257   |vec|=    7.466133
                1s
                   +0 :              -0.00009951083056
                2s
                   +0 :               0.00099483907825
                3s
                   +0 :              -0.00047885987266
                2p
                   -1 :               0.00030691732912
                   +0 :               0.00253666718110
                   +1 :               0.00462463557275
                3p
                   -1 :               0.00108136118792
                   +0 :              -0.00353006567399
                   +1 :              -0.00291872265468
                3d
                   -2 :              -0.00028462799290
                   -1 :               0.00023991073765
                   +0 :               0.00035756001314
                   +1 :               0.00021013009511
                   +2 :              -0.00010546395584
              3 vec=     5.186775     -5.504947     -4.091257   |vec|=    8.599155
                1s
                   +0 :              -0.00003575801990
                2s
                   +0 :              -0.00043587467582
                3s
                   +0 :               0.00052517652901
                2p
                   -1 :              -0.00102797110683
                   +0 :               0.00444877731016
                   +1 :               0.00014713391526
                3p
                   -1 :               0.00014301784812
                   +0 :              -0.00322357326880
                   +1 :               0.00023070314005
                3d
                   -2 :              -0.00002308657076
                   -1 :               0.00015913803527
                   +0 :               0.00006508956649
                   +1 :              -0.00011092383042
                   +2 :               0.00002667421960
              4 vec=    -2.593388      7.970690     -4.091257   |vec|=    9.327161
                1s
                   +0 :               0.00046254609536
                2s
                   +0 :              -0.00270904661891
                3s
                   +0 :               0.00121722948273
                2p
                   -1 :              -0.00236922985707
                   +0 :               0.00082086862954
                   +1 :              -0.00119506730881
                3p
                   -1 :               0.00202853562431
                   +0 :               0.00042972008142
                   +1 :               0.00093348956499
                3d
                   -2 :              -0.00002257479488
                   -1 :               0.00000554243396
                   +0 :              -0.00015687673340
                   +1 :               0.00005194312011
                   +2 :              -0.00021035722832
              5 vec=    -2.593388     -9.996826     -4.091257   |vec|=   11.108581
                1s
                   +0 :              -0.00014014176896
                2s
                   +0 :               0.00072198131993
                3s
                   +0 :              -0.00051979547341
                2p
                   -1 :              -0.00110535330883
                   +0 :               0.00020301551004
                   +1 :              -0.00050871440680
                3p
                   -1 :               0.00125719443931
                   +0 :               0.00008531742007
                   +1 :               0.00025845217343
                3d
                   -2 :              -0.00002899697060
                   -1 :               0.00001023547433
                   +0 :               0.00009924640266
                   +1 :               0.00001897800257
                   +2 :               0.00009880526338
              6 vec=   -10.373550      3.478811     -4.091257   |vec|=   11.681226
                1s
                   +0 :              -0.00008366396836
                2s
                   +0 :               0.00018002701335
                3s
                   +0 :              -0.00019874151915
                2p
                   -1 :               0.00078154860541
                   +0 :              -0.00027495397936
                   +1 :              -0.00005042581991
                3p
                   -1 :              -0.00091330845185
                   +0 :               0.00026237587299
                   +1 :               0.00022712628649
                3d
                   -2 :               0.00006052464689
                   -1 :              -0.00005628213041
                   +0 :               0.00010425859562
                   +1 :              -0.00000863596693
                   +2 :              -0.00008589837044
              7 vec=   -10.373550     -5.504947     -4.091257   |vec|=   12.435971
                1s
                   +0 :               0.00001403492125
                2s
                   +0 :              -0.00048232660751
                3s
                   +0 :               0.00001797106779
                2p
                   -1 :               0.00068468418152
                   +0 :               0.00037042172858
                   +1 :               0.00063070720775
                3p
                   -1 :              -0.00058440453806
                   +0 :              -0.00045208218681
                   +1 :              -0.00042854071224
                3d
                   -2 :               0.00001735569405
                   -1 :               0.00003817256097
                   +0 :               0.00001486573460
                   +1 :               0.00007536786400
                   +2 :              -0.00001619524952
              8 vec=    12.966938     -1.013068     -4.091257   |vec|=   13.634741
                1s
                   +0 :               0.00001411107254
                2s
                   +0 :               0.00041063290449
                3s
                   +0 :               0.00017651779258
                2p
                   -1 :               0.00005202227608
                   +0 :              -0.00048511549839
                   +1 :              -0.00001130543017
                3p
                   -1 :              -0.00018839939939
                   +0 :              -0.00002546845712
                   +1 :               0.00025339869102
                3d
                   -2 :              -0.00000729170126
                   -1 :               0.00001968664460
                   +0 :               0.00000149509141
                   +1 :              -0.00001827569312
                   +2 :               0.00002058512339
              9 vec=     5.186775     12.462569     -4.091257   |vec|=   14.105199
                1s
                   +0 :              -0.00001963171796
                2s
                   +0 :               0.00019594682792
                3s
                   +0 :              -0.00005549429491
                2p
                   -1 :               0.00032667996136
                   +0 :              -0.00019302464087
                   +1 :              -0.00015290428041
                3p
                   -1 :              -0.00028719456825
                   +0 :               0.00008539314870
                   +1 :               0.00004450304206
                3d
                   -2 :              -0.00002217438439
                   -1 :               0.00001342785108
                   +0 :               0.00000770209108
                   +1 :              -0.00000441785444
                   +2 :               0.00002531705085
             10 vec=    12.966938      7.970690     -4.091257   |vec|=   15.761083
                1s
                   +0 :              -0.00000125640681
                2s
                   +0 :               0.00004111569685
                3s
                   +0 :               0.00001142625905
                2p
                   -1 :              -0.00006028156168
                   +0 :              -0.00004235640362
                   +1 :               0.00009317847386
                3p
                   -1 :               0.00008562073593
                   +0 :              -0.00002425993747
                   +1 :              -0.00006770949063
                3d
                   -2 :               0.00001009838274
                   -1 :              -0.00000356250709
                   +0 :               0.00000304315957
                   +1 :               0.00000809861348
                   +2 :              -0.00000207714564
             11 vec=     5.186775    -14.488705     -4.091257   |vec|=   15.923681
                1s
                   +0 :              -0.00002784687274
                2s
                   +0 :               0.00023644785049
                3s
                   +0 :              -0.00009399086700
                2p
                   -1 :              -0.00030896030293
                   +0 :               0.00005669709702
                   +1 :              -0.00002350894576
                3p
                   -1 :               0.00018252642879
                   +0 :              -0.00004073784531
                   +1 :               0.00002544729451
                3d
                   -2 :              -0.00000641432160
                   -1 :               0.00001015149596
                   +0 :              -0.00000750775744
                   +1 :              -0.00000426821660
                   +2 :               0.00001272684663
             12 vec=   -10.373550     12.462569     -4.091257   |vec|=   16.723174
                1s
                   +0 :              -0.00000496009612
                2s
                   +0 :               0.00001212165913
                3s
                   +0 :              -0.00001691710893
                2p
                   -1 :              -0.00034721562185
                   +0 :               0.00005642812871
                   +1 :              -0.00006028680110
                3p
                   -1 :               0.00029698089005
                   +0 :              -0.00002509180561
                   +1 :               0.00005261155176
                3d
                   -2 :              -0.00001465713848
                   -1 :              -0.00000772098421
                   +0 :              -0.00000821389572
                   +1 :               0.00000148923024
                   +2 :              -0.00001146354229
             13 vec=    12.966938     -9.996826     -4.091257   |vec|=   16.876504
                1s
                   +0 :              -0.00002648205370
                2s
                   +0 :               0.00019369752722
                3s
                   +0 :              -0.00007857378912
                2p
                   -1 :              -0.00023644786144
                   +0 :              -0.00005064053906
                   +1 :               0.00004993929932
                3p
                   -1 :               0.00016978888965
                   +0 :               0.00001232172137
                   +1 :              -0.00000136905335
                3d
                   -2 :               0.00000215272672
                   -1 :               0.00000172349368
                   +0 :               0.00000118315750
                   +1 :              -0.00000116690039
                   +2 :               0.00000968435369
             14 vec=    -2.593388     16.954448     -4.091257   |vec|=   17.632848
                1s
                   +0 :              -0.00000546730646
                2s
                   +0 :               0.00004715106731
                3s
                   +0 :              -0.00002027087197
                2p
                   -1 :               0.00011660883352
                   +0 :              -0.00004057795181
                   +1 :               0.00004767783575
                3p
                   -1 :              -0.00010341955957
                   +0 :               0.00002742228837
                   +1 :              -0.00005158482527
                3d
                   -2 :              -0.00000603754615
                   -1 :               0.00000033796543
                   +0 :               0.00000471532471
                   +1 :              -0.00000130585606
                   +2 :               0.00001029581322
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 19)  npairs=  15
              1 vec=    -2.802674     -4.128785     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00016643626535
                2s
                   +0 :              -0.00186309255622
                3s
                   +0 :              -0.00002624587235
                2p
                   -1 :               0.00301694307124
                   +0 :               0.00199815969537
                   +1 :              -0.00101818756596
                3p
                   -1 :              -0.00065924234678
                   +0 :               0.00057551569259
                   +1 :               0.00077337985388
                3d
                   -2 :              -0.00006212772390
                   -1 :              -0.00008198647876
                   +0 :              -0.00002908933210
                   +1 :              -0.00008436194091
                   +2 :               0.00012217507511
              2 vec=     4.977489      0.363094     -8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00014392031344
                2s
                   +0 :               0.00196463720803
                3s
                   +0 :              -0.00008924517800
                2p
                   -1 :               0.00317846985193
                   +0 :              -0.00261508676062
                   +1 :               0.00021187344683
                3p
                   -1 :              -0.00099752098602
                   +0 :               0.00047912062676
                   +1 :               0.00045191032579
                3d
                   -2 :              -0.00006833240495
                   -1 :              -0.00010461093108
                   +0 :              -0.00010090712541
                   +1 :              -0.00007868083010
                   +2 :              -0.00000579396183
              3 vec=    -2.802674      4.854973     -8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00005588170848
                2s
                   +0 :               0.00091289075669
                3s
                   +0 :              -0.00017434438719
                2p
                   -1 :               0.00102510356121
                   +0 :              -0.00141511384623
                   +1 :               0.00100761961423
                3p
                   -1 :              -0.00078798991641
                   +0 :               0.00098776394827
                   +1 :              -0.00100966608437
                3d
                   -2 :               0.00000017499934
                   -1 :              -0.00001168828455
                   +0 :               0.00012820289480
                   +1 :               0.00002427658259
                   +2 :              -0.00006150981590
              4 vec=     4.977489     -8.620664     -8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00006369028302
                2s
                   +0 :               0.00056493751087
                3s
                   +0 :              -0.00018828563965
                2p
                   -1 :              -0.00026307446336
                   +0 :              -0.00000369336665
                   +1 :               0.00073424199069
                3p
                   -1 :               0.00015743626847
                   +0 :               0.00010773594568
                   +1 :              -0.00055166554414
                3d
                   -2 :              -0.00000589690328
                   -1 :              -0.00001187493371
                   +0 :              -0.00002394700193
                   +1 :               0.00004242307608
                   +2 :              -0.00001469180698
              5 vec=   -10.582837      0.363094     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00000954240877
                2s
                   +0 :              -0.00040726870360
                3s
                   +0 :              -0.00001162653165
                2p
                   -1 :               0.00003967886153
                   +0 :              -0.00032914838586
                   +1 :               0.00004018740017
                3p
                   -1 :              -0.00013485731647
                   +0 :               0.00033461099693
                   +1 :               0.00025598572887
                3d
                   -2 :               0.00003787159494
                   -1 :              -0.00001429990435
                   +0 :               0.00001076728165
                   +1 :               0.00000302555795
                   +2 :              -0.00000457151940
              6 vec=     4.977489      9.346852     -8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00001986341737
                2s
                   +0 :               0.00029956332066
                3s
                   +0 :              -0.00012213121615
                2p
                   -1 :              -0.00005801686582
                   +0 :              -0.00025801833346
                   +1 :               0.00015555694413
                3p
                   -1 :               0.00006061255208
                   +0 :               0.00005189610723
                   +1 :              -0.00012139887221
                3d
                   -2 :              -0.00000434978860
                   -1 :               0.00001608004348
                   +0 :               0.00000315750200
                   +1 :               0.00001634450715
                   +2 :               0.00004284305348
              7 vec=    -2.802674    -13.112543     -8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00001769624902
                2s
                   +0 :              -0.00012061522635
                3s
                   +0 :               0.00005593853143
                2p
                   -1 :               0.00013162523463
                   +0 :               0.00012893893084
                   +1 :              -0.00022262255286
                3p
                   -1 :              -0.00008412960857
                   +0 :              -0.00006339134382
                   +1 :               0.00013987791014
                3d
                   -2 :               0.00000080081161
                   -1 :               0.00000127737214
                   +0 :               0.00001020459053
                   +1 :              -0.00001009403357
                   +2 :               0.00000186565257
              8 vec=    12.757651     -4.128785     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00000497911778
                2s
                   +0 :               0.00009924709040
                3s
                   +0 :               0.00001702719905
                2p
                   -1 :              -0.00002149286757
                   +0 :              -0.00022066720609
                   +1 :               0.00019503619663
                3p
                   -1 :              -0.00001987390762
                   +0 :               0.00011898303742
                   +1 :              -0.00011593769310
                3d
                   -2 :               0.00000101970280
                   -1 :               0.00001028664033
                   +0 :              -0.00000817634870
                   +1 :               0.00001135687826
                   +2 :               0.00000058209611
              9 vec=   -10.582837     -8.620664     -8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00002075688855
                2s
                   +0 :               0.00011026706810
                3s
                   +0 :              -0.00008357392190
                2p
                   -1 :              -0.00008517177261
                   +0 :              -0.00000361349799
                   +1 :               0.00008913960601
                3p
                   -1 :               0.00006238198736
                   +0 :               0.00001509392670
                   +1 :              -0.00005492511866
                3d
                   -2 :               0.00001443536659
                   -1 :              -0.00001208257503
                   +0 :              -0.00000895588202
                   +1 :               0.00000839596469
                   +2 :               0.00000411464606
             10 vec=    12.757651      4.854973     -8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00006629901114
                2s
                   +0 :              -0.00042106240962
                3s
                   +0 :               0.00023538735572
                2p
                   -1 :              -0.00002848059964
                   +0 :               0.00001311920564
                   +1 :              -0.00022783735194
                3p
                   -1 :               0.00001352121886
                   +0 :              -0.00002770615817
                   +1 :               0.00020988209456
                3d
                   -2 :              -0.00000941759599
                   -1 :              -0.00000872407510
                   +0 :               0.00000103518485
                   +1 :               0.00000633249514
                   +2 :               0.00001552520394
             11 vec=   -10.582837      9.346852     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00004989437982
                2s
                   +0 :               0.00024045052632
                3s
                   +0 :              -0.00016981671860
                2p
                   -1 :               0.00016898407037
                   +0 :              -0.00009592608765
                   +1 :               0.00014988876945
                3p
                   -1 :              -0.00019260861101
                   +0 :               0.00010928843901
                   +1 :              -0.00009208650651
                3d
                   -2 :               0.00000177463305
                   -1 :               0.00001395748234
                   +0 :              -0.00000391037835
                   +1 :              -0.00000120257133
                   +2 :               0.00000195123492
             12 vec=    -2.802674     13.838731     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00002432526157
                2s
                   +0 :              -0.00015725275598
                3s
                   +0 :               0.00007118545413
                2p
                   -1 :              -0.00018677312121
                   +0 :               0.00001501718213
                   +1 :               0.00009027444120
                3p
                   -1 :               0.00014321915512
                   +0 :               0.00001849331591
                   +1 :              -0.00009809134375
                3d
                   -2 :              -0.00000770847540
                   -1 :              -0.00000348451671
                   +0 :              -0.00001656988844
                   +1 :               0.00000710059210
                   +2 :              -0.00000715890993
             13 vec=    -2.802674     -4.128785     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000916918511
                2s
                   +0 :               0.00008073215546
                3s
                   +0 :              -0.00001680777612
                2p
                   -1 :               0.00003946453791
                   +0 :               0.00003925926028
                   +1 :              -0.00005969260649
                3p
                   -1 :              -0.00003641682132
                   +0 :               0.00000420875945
                   +1 :               0.00003922181767
                3d
                   -2 :              -0.00000551579277
                   -1 :              -0.00000159087694
                   +0 :               0.00000082053215
                   +1 :               0.00000116994926
                   +2 :              -0.00000257783650
             14 vec=     4.977489      0.363094     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000428419494
                2s
                   +0 :               0.00003542162872
                3s
                   +0 :              -0.00001133999443
                2p
                   -1 :               0.00002648329872
                   +0 :               0.00007091144393
                   +1 :              -0.00005112660862
                3p
                   -1 :              -0.00003157916741
                   +0 :              -0.00003489580830
                   +1 :               0.00005036642628
                3d
                   -2 :              -0.00000289013497
                   -1 :               0.00000082137370
                   +0 :              -0.00000701537193
                   +1 :               0.00000508403897
                   +2 :               0.00000081668929
             15 vec=    -2.802674      4.854973     16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00001170612382
                2s
                   +0 :              -0.00009395523916
                3s
                   +0 :               0.00001824918492
                2p
                   -1 :              -0.00006491895744
                   +0 :              -0.00008438641429
                   +1 :              -0.00003082936833
                3p
                   -1 :               0.00002905921577
                   +0 :               0.00000980031897
                   +1 :              -0.00004468411220
                3d
                   -2 :              -0.00000996808598
                   -1 :              -0.00000191599709
                   +0 :              -0.00000680419797
                   +1 :              -0.00000880770982
                   +2 :               0.00000453475179
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 20)  npairs=  14
              1 vec=     0.209286      0.363094     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00033763940715
                2s
                   +0 :              -0.00211275799124
                3s
                   +0 :               0.00083441441608
                2p
                   -1 :               0.00086209101550
                   +0 :               0.00053042551157
                   +1 :              -0.00099759519221
                3p
                   -1 :              -0.00077292244347
                   +0 :               0.00013993560302
                   +1 :              -0.00050169070209
                3d
                   -2 :               0.00000973043517
                   -1 :               0.00002232076542
                   +0 :              -0.00026834602146
                   +1 :               0.00009268079541
                   +2 :               0.00009362154361
              2 vec=     0.209286     -8.620664     -8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00001821789462
                2s
                   +0 :               0.00007201323509
                3s
                   +0 :               0.00000410919494
                2p
                   -1 :              -0.00044156930333
                   +0 :              -0.00015082532496
                   +1 :              -0.00050314557453
                3p
                   -1 :               0.00024662081548
                   +0 :               0.00013340567447
                   +1 :               0.00015181977869
                3d
                   -2 :               0.00005517983505
                   -1 :              -0.00000375147338
                   +0 :              -0.00000338778606
                   +1 :               0.00001976100526
                   +2 :               0.00000824008111
              3 vec=    -7.570876     -4.128785     -8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00000297637179
                2s
                   +0 :              -0.00062202322381
                3s
                   +0 :              -0.00010649631668
                2p
                   -1 :              -0.00054945555692
                   +0 :               0.00043928778368
                   +1 :               0.00029475580043
                3p
                   -1 :               0.00057585301403
                   +0 :               0.00017358364971
                   +1 :              -0.00011067369285
                3d
                   -2 :              -0.00000492682962
                   -1 :              -0.00000968831893
                   +0 :              -0.00001175055538
                   +1 :              -0.00000970922487
                   +2 :               0.00004877482148
              4 vec=     7.989449     -4.128785     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00012052061019
                2s
                   +0 :               0.00127840900570
                3s
                   +0 :              -0.00036382055660
                2p
                   -1 :               0.00018663594938
                   +0 :              -0.00054622345838
                   +1 :               0.00101244932004
                3p
                   -1 :              -0.00041938682321
                   +0 :               0.00007205663914
                   +1 :              -0.00055616664921
                3d
                   -2 :               0.00000281491846
                   -1 :              -0.00000294930485
                   +0 :               0.00003793791088
                   +1 :               0.00003427387124
                   +2 :              -0.00007837047862
              5 vec=    -7.570876      4.854973     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00022494637088
                2s
                   +0 :               0.00109551373818
                3s
                   +0 :              -0.00074602651079
                2p
                   -1 :              -0.00131564349644
                   +0 :              -0.00055320978152
                   +1 :              -0.00146329267379
                3p
                   -1 :               0.00092494323227
                   +0 :               0.00050327049508
                   +1 :               0.00127997569494
                3d
                   -2 :              -0.00002099827785
                   -1 :              -0.00005120641951
                   +0 :              -0.00005279302252
                   +1 :              -0.00014270870694
                   +2 :              -0.00006284963131
              6 vec=     7.989449      4.854973     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00004285991420
                2s
                   +0 :              -0.00005388207403
                3s
                   +0 :               0.00013998628993
                2p
                   -1 :               0.00061185577782
                   +0 :              -0.00066785209404
                   +1 :               0.00096803967985
                3p
                   -1 :              -0.00033432420497
                   +0 :               0.00050912689038
                   +1 :              -0.00077376337037
                3d
                   -2 :              -0.00000787528431
                   -1 :               0.00001397623475
                   +0 :              -0.00000826814690
                   +1 :               0.00004427810966
                   +2 :              -0.00003573048457
              7 vec=     0.209286      9.346852     -8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00003260968160
                2s
                   +0 :               0.00016607686133
                3s
                   +0 :              -0.00005954963167
                2p
                   -1 :               0.00042986165313
                   +0 :               0.00027582945112
                   +1 :              -0.00050949234510
                3p
                   -1 :              -0.00029286628209
                   +0 :              -0.00033717538947
                   +1 :               0.00024665803260
                3d
                   -2 :               0.00002223530324
                   -1 :              -0.00002614832276
                   +0 :              -0.00000367495958
                   +1 :               0.00003311923949
                   +2 :               0.00000401450953
              8 vec=     0.209286      0.363094     16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00002255994825
                2s
                   +0 :              -0.00012920302085
                3s
                   +0 :               0.00007168792245
                2p
                   -1 :               0.00004771691790
                   +0 :              -0.00006207863754
                   +1 :               0.00006508727376
                3p
                   -1 :              -0.00003501159556
                   +0 :               0.00007085746665
                   +1 :              -0.00007144367590
                3d
                   -2 :               0.00000717432170
                   -1 :              -0.00000433793762
                   +0 :               0.00000014682207
                   +1 :              -0.00000669639929
                   +2 :               0.00000105513831
              9 vec=    -7.570876    -13.112543     -8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00002683021818
                2s
                   +0 :              -0.00021996575480
                3s
                   +0 :               0.00007646297104
                2p
                   -1 :               0.00010332335472
                   +0 :               0.00006977696519
                   +1 :               0.00001552610764
                3p
                   -1 :              -0.00000090166918
                   +0 :              -0.00003863809726
                   +1 :              -0.00000160513746
                3d
                   -2 :              -0.00000565550988
                   -1 :              -0.00000467965651
                   +0 :               0.00000190484791
                   +1 :               0.00000164302226
                   +2 :               0.00000838507253
             10 vec=     7.989449    -13.112543     -8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000440021855
                2s
                   +0 :               0.00008098815577
                3s
                   +0 :              -0.00000014072127
                2p
                   -1 :              -0.00004309277879
                   +0 :              -0.00008792704751
                   +1 :               0.00004632997836
                3p
                   -1 :              -0.00002497637848
                   +0 :               0.00001493114453
                   +1 :              -0.00003968659701
                3d
                   -2 :              -0.00000508714405
                   -1 :               0.00000300520459
                   +0 :              -0.00000129350037
                   +1 :               0.00000218685986
                   +2 :              -0.00000672068568
             11 vec=   -15.351039      0.363094     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00003006340395
                2s
                   +0 :              -0.00022812140505
                3s
                   +0 :               0.00008148217835
                2p
                   -1 :               0.00014639724897
                   +0 :               0.00004291267084
                   +1 :               0.00026645315738
                3p
                   -1 :              -0.00015055106425
                   +0 :               0.00000196964068
                   +1 :              -0.00014791988416
                3d
                   -2 :               0.00001409962021
                   -1 :               0.00001079859338
                   +0 :               0.00000420577403
                   +1 :              -0.00000944730717
                   +2 :              -0.00000369814162
             12 vec=    15.769612      0.363094     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00001015830400
                2s
                   +0 :               0.00008755873441
                3s
                   +0 :               0.00000205854297
                2p
                   -1 :               0.00004285029808
                   +0 :              -0.00005389798135
                   +1 :               0.00005360822384
                3p
                   -1 :               0.00000357259538
                   +0 :              -0.00001436280120
                   +1 :              -0.00000230737069
                3d
                   -2 :               0.00000301666178
                   -1 :              -0.00000266815710
                   +0 :               0.00000173576348
                   +1 :              -0.00000291260022
                   +2 :               0.00000222354391
             13 vec=    -7.570876     13.838731     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000072771586
                2s
                   +0 :               0.00001612856683
                3s
                   +0 :              -0.00000957131869
                2p
                   -1 :               0.00000002791294
                   +0 :              -0.00011144801825
                   +1 :              -0.00002675831384
                3p
                   -1 :              -0.00000328922941
                   +0 :               0.00009253645614
                   +1 :               0.00001195346776
                3d
                   -2 :               0.00000558343520
                   -1 :               0.00000296346930
                   +0 :              -0.00000419523403
                   +1 :              -0.00000141097397
                   +2 :              -0.00000342791167
             14 vec=     7.989449     13.838731     -8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00000532570277
                2s
                   +0 :               0.00004289038853
                3s
                   +0 :              -0.00001537155244
                2p
                   -1 :               0.00001832514656
                   +0 :               0.00002319495245
                   +1 :              -0.00000048537901
                3p
                   -1 :              -0.00000618485394
                   +0 :              -0.00002478449612
                   +1 :               0.00000783324555
                3d
                   -2 :               0.00000182963346
                   -1 :               0.00000399781742
                   +0 :               0.00000322546905
                   +1 :              -0.00000054381366
                   +2 :               0.00000270360882
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 21)  npairs=  15
              1 vec=     2.593388     -4.491280     -8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00032826812936
                2s
                   +0 :               0.00309769204092
                3s
                   +0 :              -0.00057022360576
                2p
                   -1 :              -0.00305882664385
                   +0 :              -0.00263998147805
                   +1 :              -0.00257534021554
                3p
                   -1 :               0.00099562727967
                   +0 :               0.00080802506517
                   +1 :               0.00143447012168
                3d
                   -2 :               0.00009020438499
                   -1 :               0.00003596425755
                   +0 :               0.00004581228249
                   +1 :              -0.00006293805969
                   +2 :              -0.00000600619701
              2 vec=    -5.186775      0.000599     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00005690739557
                2s
                   +0 :              -0.00106976610535
                3s
                   +0 :              -0.00027811041264
                2p
                   -1 :              -0.00113680255860
                   +0 :               0.00307737188047
                   +1 :               0.00187146863985
                3p
                   -1 :               0.00001096846635
                   +0 :              -0.00055999599077
                   +1 :              -0.00024125442103
                3d
                   -2 :               0.00001006040178
                   -1 :               0.00012311301150
                   +0 :              -0.00001022194224
                   +1 :              -0.00012027935204
                   +2 :              -0.00004036253945
              3 vec=     2.593388      4.492478     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00022022881753
                2s
                   +0 :              -0.00159433896997
                3s
                   +0 :               0.00058910031180
                2p
                   -1 :              -0.00348941935975
                   +0 :               0.00066620041880
                   +1 :              -0.00148241736020
                3p
                   -1 :               0.00240494600084
                   +0 :               0.00043187063447
                   +1 :               0.00066659398939
                3d
                   -2 :               0.00003488573737
                   -1 :              -0.00009453696803
                   +0 :              -0.00010722458668
                   +1 :               0.00000117449966
                   +2 :              -0.00016108524630
              4 vec=    -5.186775     -8.983159     -8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00004979400366
                2s
                   +0 :              -0.00055234222377
                3s
                   +0 :               0.00003133439140
                2p
                   -1 :               0.00029544993062
                   +0 :              -0.00005969709246
                   +1 :               0.00028415859695
                3p
                   -1 :               0.00003227357037
                   +0 :               0.00005206840701
                   +1 :              -0.00022173340389
                3d
                   -2 :              -0.00002853726725
                   -1 :              -0.00002617693155
                   +0 :              -0.00002842120278
                   +1 :              -0.00001197633830
                   +2 :               0.00002767469162
              5 vec=    10.373550      0.000599     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000356551507
                2s
                   +0 :               0.00017177668086
                3s
                   +0 :              -0.00000141114218
                2p
                   -1 :              -0.00022157948761
                   +0 :               0.00027479113382
                   +1 :               0.00010816278413
                3p
                   -1 :               0.00019154127602
                   +0 :              -0.00024331096469
                   +1 :              -0.00011094379454
                3d
                   -2 :               0.00000452732902
                   -1 :              -0.00001632942459
                   +0 :               0.00002921007138
                   +1 :              -0.00000630403516
                   +2 :              -0.00002118205771
              6 vec=    -5.186775      8.984357     -8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00000634010183
                2s
                   +0 :              -0.00019086696162
                3s
                   +0 :              -0.00000934844056
                2p
                   -1 :               0.00018517342089
                   +0 :               0.00024147623527
                   +1 :               0.00042838712636
                3p
                   -1 :              -0.00013858010847
                   +0 :              -0.00007292458898
                   +1 :              -0.00031931450078
                3d
                   -2 :              -0.00003275398387
                   -1 :               0.00000103307315
                   +0 :               0.00004642017628
                   +1 :               0.00001151013719
                   +2 :               0.00001503846555
              7 vec=     2.593388    -13.475038     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00002567071192
                2s
                   +0 :               0.00015710880939
                3s
                   +0 :              -0.00007296523184
                2p
                   -1 :               0.00007857992961
                   +0 :              -0.00012328067258
                   +1 :              -0.00012574660682
                3p
                   -1 :              -0.00009105455877
                   +0 :               0.00006521389959
                   +1 :               0.00011097657500
                3d
                   -2 :              -0.00000695671079
                   -1 :              -0.00000491162350
                   +0 :              -0.00000521167790
                   +1 :              -0.00000998503118
                   +2 :              -0.00000437935843
              8 vec=    10.373550     -8.983159     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001639428440
                2s
                   +0 :               0.00015268806456
                3s
                   +0 :              -0.00003050924785
                2p
                   -1 :              -0.00023692660191
                   +0 :              -0.00017667461614
                   +1 :               0.00000305686476
                3p
                   -1 :               0.00018199952120
                   +0 :               0.00010708305527
                   +1 :               0.00003528453672
                3d
                   -2 :               0.00000085310320
                   -1 :              -0.00000045706610
                   +0 :               0.00000237354297
                   +1 :              -0.00000512505696
                   +2 :               0.00000776366069
              9 vec=   -12.966938     -4.491280     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00002909373828
                2s
                   +0 :              -0.00019618711541
                3s
                   +0 :               0.00003737371475
                2p
                   -1 :               0.00031912551867
                   +0 :               0.00008868199205
                   +1 :               0.00013074047465
                3p
                   -1 :              -0.00020992072885
                   +0 :              -0.00001555114234
                   +1 :              -0.00007130540695
                3d
                   -2 :               0.00000712621818
                   -1 :               0.00000800638082
                   +0 :              -0.00000521090235
                   +1 :               0.00000071203524
                   +2 :              -0.00000014284350
             10 vec=   -12.966938      4.492478     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00004826386233
                2s
                   +0 :              -0.00031019715426
                3s
                   +0 :               0.00014396769368
                2p
                   -1 :              -0.00014970512959
                   +0 :               0.00013053155914
                   +1 :               0.00012192550620
                3p
                   -1 :               0.00009614855922
                   +0 :              -0.00009097484171
                   +1 :              -0.00006274030535
                3d
                   -2 :               0.00000793909153
                   -1 :              -0.00000401615273
                   +0 :               0.00000141469185
                   +1 :               0.00000358273751
                   +2 :               0.00002005540471
             11 vec=    10.373550      8.984357     -8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00000663340363
                2s
                   +0 :               0.00000437607797
                3s
                   +0 :               0.00003987287963
                2p
                   -1 :              -0.00019510597525
                   +0 :              -0.00012447394935
                   +1 :              -0.00001190937841
                3p
                   -1 :               0.00021858914339
                   +0 :               0.00007650214105
                   +1 :               0.00005580299940
                3d
                   -2 :               0.00000332284112
                   -1 :               0.00001070321977
                   +0 :              -0.00000886848562
                   +1 :              -0.00000287953989
                   +2 :              -0.00001748654650
             12 vec=     2.593388     13.476236     -8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000054380252
                2s
                   +0 :               0.00003960506048
                3s
                   +0 :              -0.00000431719719
                2p
                   -1 :               0.00004452419537
                   +0 :               0.00003897138075
                   +1 :              -0.00005292387522
                3p
                   -1 :              -0.00003391126220
                   +0 :              -0.00008332366842
                   +1 :               0.00005247404495
                3d
                   -2 :               0.00000908585293
                   -1 :              -0.00000892822536
                   +0 :               0.00000681271338
                   +1 :              -0.00000639834127
                   +2 :               0.00001168961714
             13 vec=     2.593388     -4.491280     16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00001358100896
                2s
                   +0 :              -0.00013361856669
                3s
                   +0 :               0.00003484051872
                2p
                   -1 :              -0.00011764599528
                   +0 :              -0.00009388399670
                   +1 :              -0.00000898278459
                3p
                   -1 :               0.00006060288987
                   +0 :               0.00000955777784
                   +1 :              -0.00001211902498
                3d
                   -2 :              -0.00000199494232
                   -1 :               0.00000024211290
                   +0 :              -0.00001120773397
                   +1 :              -0.00000347660253
                   +2 :              -0.00000596805489
             14 vec=    -5.186775      0.000599     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001625429421
                2s
                   +0 :              -0.00010733295743
                3s
                   +0 :               0.00005126390515
                2p
                   -1 :               0.00006887408373
                   +0 :              -0.00015105863179
                   +1 :              -0.00007010040585
                3p
                   -1 :              -0.00002335769004
                   +0 :               0.00012623523688
                   +1 :               0.00004189786607
                3d
                   -2 :              -0.00000206927795
                   -1 :               0.00000429928160
                   +0 :               0.00000444776110
                   +1 :               0.00000380124967
                   +2 :              -0.00000788016294
             15 vec=     2.593388      4.492478     16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000980825198
                2s
                   +0 :              -0.00003655877839
                3s
                   +0 :               0.00004694784664
                2p
                   -1 :              -0.00006985123812
                   +0 :              -0.00007150313299
                   +1 :              -0.00017091610270
                3p
                   -1 :               0.00007431765119
                   +0 :               0.00010867445241
                   +1 :               0.00012120703068
                3d
                   -2 :               0.00000391277241
                   -1 :               0.00000468405340
                   +0 :               0.00000192278863
                   +1 :               0.00000440502339
                   +2 :              -0.00000070730388
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 22)  npairs=  14
              1 vec=     0.209805      3.115717      4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00131313435832
                2s
                   +0 :              -0.00494125403508
                3s
                   +0 :               0.00396166062263
                2p
                   -1 :              -0.00764528087618
                   +0 :               0.00286602210094
                   +1 :              -0.00279433852915
                3p
                   -1 :               0.00670234536083
                   +0 :               0.00014291579806
                   +1 :              -0.00531821265821
                3d
                   -2 :              -0.00084475725953
                   -1 :               0.00055985058611
                   +0 :               0.00053718637884
                   +1 :              -0.00170037660234
                   +2 :              -0.00015915663002
              2 vec=     0.209805     -5.868041      4.091257   |vec|=    7.156557
                1s
                   +0 :               0.00066156869471
                2s
                   +0 :              -0.00489204262421
                3s
                   +0 :               0.00196378705428
                2p
                   -1 :               0.00240625638697
                   +0 :              -0.00111913688350
                   +1 :               0.00520060033999
                3p
                   -1 :              -0.00131780682420
                   +0 :               0.00089496127847
                   +1 :              -0.00542691201295
                3d
                   -2 :               0.00000501733796
                   -1 :               0.00008099661510
                   +0 :               0.00001537630137
                   +1 :               0.00011034572605
                   +2 :              -0.00024033963245
              3 vec=    -7.570358     -1.376162      4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00000875258608
                2s
                   +0 :               0.00077709419900
                3s
                   +0 :              -0.00022853738238
                2p
                   -1 :              -0.00016961932820
                   +0 :               0.00034716932368
                   +1 :               0.00201660554371
                3p
                   -1 :               0.00047785030014
                   +0 :              -0.00046875499225
                   +1 :              -0.00085069021425
                3d
                   -2 :              -0.00004266862201
                   -1 :               0.00000588992273
                   +0 :              -0.00006657525444
                   +1 :               0.00007443679159
                   +2 :               0.00013749016258
              4 vec=     7.989968     -1.376162      4.091257   |vec|=    9.081398
                1s
                   +0 :              -0.00026683956085
                2s
                   +0 :               0.00126547514511
                3s
                   +0 :              -0.00049331473480
                2p
                   -1 :              -0.00178565221497
                   +0 :               0.00392341143678
                   +1 :              -0.00043174870563
                3p
                   -1 :               0.00046128212455
                   +0 :              -0.00194738354336
                   +1 :               0.00058565407150
                3d
                   -2 :               0.00001919722886
                   -1 :               0.00014732293543
                   +0 :              -0.00002486584457
                   +1 :               0.00003652747950
                   +2 :               0.00009151360850
              5 vec=    -7.570358      7.607596      4.091257   |vec|=   11.485827
                1s
                   +0 :               0.00008140572246
                2s
                   +0 :              -0.00081194353438
                3s
                   +0 :               0.00025510912233
                2p
                   -1 :              -0.00065128472347
                   +0 :               0.00001661673901
                   +1 :               0.00098438355286
                3p
                   -1 :               0.00024183568624
                   +0 :              -0.00017282884277
                   +1 :              -0.00084307372602
                3d
                   -2 :              -0.00003452252308
                   -1 :              -0.00012641115047
                   +0 :              -0.00001580182560
                   +1 :               0.00003873955540
                   +2 :               0.00005145641871
              6 vec=     7.989968      7.607596      4.091257   |vec|=   11.766626
                1s
                   +0 :              -0.00006408587335
                2s
                   +0 :               0.00067958037568
                3s
                   +0 :              -0.00017572335997
                2p
                   -1 :              -0.00019759412484
                   +0 :               0.00034115924453
                   +1 :               0.00030881392383
                3p
                   -1 :               0.00031268585889
                   +0 :              -0.00022087875388
                   +1 :              -0.00020584144618
                3d
                   -2 :               0.00007000374743
                   -1 :              -0.00002125150556
                   +0 :               0.00004509850965
                   +1 :              -0.00000381467971
                   +2 :               0.00001225965067
              7 vec=     0.209805     12.099475      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00002826041915
                2s
                   +0 :              -0.00020683825801
                3s
                   +0 :               0.00007178852764
                2p
                   -1 :              -0.00038354995833
                   +0 :              -0.00039820648245
                   +1 :               0.00015774694388
                3p
                   -1 :               0.00028972626954
                   +0 :               0.00022519418361
                   +1 :              -0.00008515367399
                3d
                   -2 :              -0.00000434189158
                   -1 :               0.00002251343366
                   +0 :               0.00001451210585
                   +1 :               0.00002895312849
                   +2 :               0.00002305668316
              8 vec=    -7.570358    -10.359920      4.091257   |vec|=   13.467615
                1s
                   +0 :               0.00007925065242
                2s
                   +0 :              -0.00082862330564
                3s
                   +0 :               0.00018529440972
                2p
                   -1 :               0.00048040466005
                   +0 :              -0.00043976918441
                   +1 :               0.00034044354899
                3p
                   -1 :              -0.00023371304120
                   +0 :               0.00004850419923
                   +1 :              -0.00012440382894
                3d
                   -2 :              -0.00001363558240
                   -1 :               0.00000141567755
                   +0 :              -0.00003873189303
                   +1 :              -0.00000766547995
                   +2 :               0.00000967204548
              9 vec=     7.989968    -10.359920      4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00000771734354
                2s
                   +0 :               0.00026181927258
                3s
                   +0 :               0.00012801984745
                2p
                   -1 :               0.00012929584077
                   +0 :               0.00008329288141
                   +1 :              -0.00009920631671
                3p
                   -1 :              -0.00030166615760
                   +0 :               0.00012939092992
                   +1 :               0.00019489494113
                3d
                   -2 :              -0.00001674186957
                   -1 :               0.00000236473100
                   +0 :              -0.00000109216922
                   +1 :               0.00001427082371
                   +2 :              -0.00000407279212
             10 vec=     0.209805    -14.851799      4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00001629622275
                2s
                   +0 :               0.00009621498281
                3s
                   +0 :              -0.00004275121823
                2p
                   -1 :              -0.00015019840978
                   +0 :              -0.00002703944979
                   +1 :              -0.00009150417602
                3p
                   -1 :               0.00009912410158
                   +0 :               0.00001673772235
                   +1 :               0.00002402418016
                3d
                   -2 :              -0.00001274726723
                   -1 :               0.00000152657448
                   +0 :               0.00000844594727
                   +1 :               0.00000794894401
                   +2 :               0.00000816141745
             11 vec=   -15.350520      3.115717      4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00002495867969
                2s
                   +0 :               0.00008346835450
                3s
                   +0 :              -0.00006389603083
                2p
                   -1 :              -0.00001802058123
                   +0 :              -0.00012032963992
                   +1 :               0.00016065235312
                3p
                   -1 :              -0.00001857101305
                   +0 :               0.00004067569596
                   +1 :              -0.00002882893304
                3d
                   -2 :              -0.00000540841704
                   -1 :              -0.00000146845198
                   +0 :               0.00000440160681
                   +1 :              -0.00001039146473
                   +2 :               0.00000600762551
             12 vec=    15.770130      3.115717      4.091257   |vec|=   16.587438
                1s
                   +0 :              -0.00003935235172
                2s
                   +0 :               0.00029594557357
                3s
                   +0 :              -0.00007973683396
                2p
                   -1 :               0.00000396059427
                   +0 :              -0.00009928732897
                   +1 :               0.00003018700709
                3p
                   -1 :               0.00005482651027
                   +0 :               0.00011178310375
                   +1 :               0.00008394573203
                3d
                   -2 :               0.00001145046809
                   -1 :               0.00000660365348
                   +0 :               0.00000646386988
                   +1 :               0.00000278490975
                   +2 :              -0.00001591479859
             13 vec=   -15.350520     -5.868041      4.091257   |vec|=   16.935488
                1s
                   +0 :               0.00002629187783
                2s
                   +0 :              -0.00017260073530
                3s
                   +0 :               0.00007050270071
                2p
                   -1 :               0.00003152542474
                   +0 :              -0.00005789927475
                   +1 :               0.00017977843109
                3p
                   -1 :               0.00000086987216
                   +0 :               0.00000244393605
                   +1 :              -0.00009423270700
                3d
                   -2 :              -0.00000037635997
                   -1 :              -0.00000116031426
                   +0 :              -0.00000521945686
                   +1 :               0.00000162457110
                   +2 :               0.00000375663224
             14 vec=    15.770130     -5.868041      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00002004456138
                2s
                   +0 :               0.00016361833736
                3s
                   +0 :              -0.00004688725561
                2p
                   -1 :              -0.00000911343085
                   +0 :              -0.00001961360914
                   +1 :              -0.00000832405023
                3p
                   -1 :              -0.00001842017862
                   +0 :               0.00003277406576
                   +1 :               0.00006788253032
                3d
                   -2 :               0.00000078503200
                   -1 :               0.00000019972122
                   +0 :               0.00000819376596
                   +1 :               0.00000457615771
                   +2 :              -0.00000064837201
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 23)  npairs=  14
              1 vec=    -2.803193     -1.376162      4.091257   |vec|=    5.146853
                1s
                   +0 :               0.00241911229998
                2s
                   +0 :              -0.04302158644886
                3s
                   +0 :               0.00376723213106
                2p
                   -1 :               0.00519592084122
                   +0 :              -0.01958803025203
                   +1 :               0.00884600744314
                3p
                   -1 :               0.00316377276185
                   +0 :              -0.00240474623725
                   +1 :               0.00117107386646
                3d
                   -2 :              -0.00050680559552
                   -1 :               0.00209263592234
                   +0 :              -0.00150515638114
                   +1 :               0.00093189267095
                   +2 :               0.00017803368773
              2 vec=     4.976970      3.115717      4.091257   |vec|=    7.156557
                1s
                   +0 :              -0.00113703838057
                2s
                   +0 :               0.00898063206090
                3s
                   +0 :              -0.00492542645195
                2p
                   -1 :               0.00457050492425
                   +0 :               0.01003916748041
                   +1 :               0.00995471262065
                3p
                   -1 :              -0.00355432850359
                   +0 :              -0.00684000289332
                   +1 :              -0.00740977895322
                3d
                   -2 :              -0.00035537475413
                   -1 :              -0.00054028320852
                   +0 :              -0.00047387915836
                   +1 :              -0.00110439442623
                   +2 :              -0.00025032127636
              3 vec=     4.976970     -5.868041      4.091257   |vec|=    8.714501
                1s
                   +0 :               0.00014285235386
                2s
                   +0 :              -0.00087719345604
                3s
                   +0 :               0.00060219186867
                2p
                   -1 :              -0.00145777080834
                   +0 :               0.00203167534979
                   +1 :               0.00006411236846
                3p
                   -1 :               0.00144263949796
                   +0 :              -0.00051135152092
                   +1 :               0.00062648818516
                3d
                   -2 :               0.00009606862796
                   -1 :               0.00000074858681
                   +0 :               0.00007929807456
                   +1 :              -0.00007243544634
                   +2 :               0.00007128909980
              4 vec=    -2.803193      7.607596      4.091257   |vec|=    9.081398
                1s
                   +0 :               0.00039950649061
                2s
                   +0 :              -0.00233567714999
                3s
                   +0 :               0.00110842029795
                2p
                   -1 :               0.00103630541767
                   +0 :              -0.00162506568037
                   +1 :              -0.00041580453391
                3p
                   -1 :              -0.00104065536607
                   +0 :              -0.00006108684423
                   +1 :              -0.00007952303248
                3d
                   -2 :               0.00010089094178
                   -1 :              -0.00022156910264
                   +0 :              -0.00004582448845
                   +1 :               0.00003073265194
                   +2 :               0.00009096172325
              5 vec=    -2.803193    -10.359920      4.091257   |vec|=   11.485827
                1s
                   +0 :              -0.00000626785151
                2s
                   +0 :               0.00000704690054
                3s
                   +0 :              -0.00017469529891
                2p
                   -1 :              -0.00025405983828
                   +0 :               0.00009731276972
                   +1 :              -0.00058258011849
                3p
                   -1 :               0.00055848104418
                   +0 :              -0.00016156723237
                   +1 :               0.00039741367588
                3d
                   -2 :              -0.00000810931426
                   -1 :               0.00002314970484
                   +0 :               0.00003033386044
                   +1 :              -0.00002607616891
                   +2 :               0.00002113731412
              6 vec=   -10.583355      3.115717      4.091257   |vec|=   11.766626
                1s
                   +0 :               0.00010149799705
                2s
                   +0 :              -0.00074981798566
                3s
                   +0 :               0.00027602297155
                2p
                   -1 :              -0.00032953761313
                   +0 :              -0.00053784906120
                   +1 :               0.00104183004399
                3p
                   -1 :               0.00009518803213
                   +0 :               0.00038561430560
                   +1 :              -0.00079869663038
                3d
                   -2 :               0.00002097304623
                   -1 :              -0.00000756925716
                   +0 :               0.00004535982016
                   +1 :              -0.00002006414421
                   +2 :              -0.00001961632972
              7 vec=   -10.583355     -5.868041      4.091257   |vec|=   12.774181
                1s
                   +0 :               0.00002333437110
                2s
                   +0 :              -0.00042981471346
                3s
                   +0 :               0.00004766076290
                2p
                   -1 :              -0.00004592694443
                   +0 :               0.00011598533436
                   +1 :              -0.00016886022339
                3p
                   -1 :               0.00014694969644
                   +0 :              -0.00014637304687
                   +1 :               0.00020535807807
                3d
                   -2 :              -0.00001197981538
                   -1 :              -0.00001123983170
                   +0 :              -0.00001637198151
                   +1 :               0.00001384665763
                   +2 :              -0.00000040177234
              8 vec=    12.757133     -1.376162      4.091257   |vec|=   13.467615
                1s
                   +0 :              -0.00006750609214
                2s
                   +0 :               0.00087894706876
                3s
                   +0 :              -0.00003353458647
                2p
                   -1 :               0.00034172708887
                   +0 :              -0.00002203134391
                   +1 :               0.00017763683383
                3p
                   -1 :              -0.00038628654232
                   +0 :               0.00032111359990
                   +1 :               0.00007240236564
                3d
                   -2 :              -0.00004320450002
                   -1 :              -0.00002679849351
                   +0 :               0.00002875028482
                   +1 :               0.00003074903064
                   +2 :               0.00001081662369
              9 vec=     4.976970     12.099475      4.091257   |vec|=   13.707878
                1s
                   +0 :               0.00010145765564
                2s
                   +0 :              -0.00051565373273
                3s
                   +0 :               0.00030723966566
                2p
                   -1 :               0.00024109858082
                   +0 :              -0.00024814676208
                   +1 :              -0.00010509549756
                3p
                   -1 :              -0.00028037894276
                   +0 :               0.00020016407050
                   +1 :               0.00002992873861
                3d
                   -2 :               0.00002152570021
                   -1 :               0.00001897121367
                   +0 :               0.00000969322219
                   +1 :               0.00000421762111
                   +2 :               0.00003321305098
             10 vec=    12.757133      7.607596      4.091257   |vec|=   15.406438
                1s
                   +0 :              -0.00000256277261
                2s
                   +0 :               0.00004476142412
                3s
                   +0 :               0.00005501290948
                2p
                   -1 :               0.00030875405885
                   +0 :               0.00012661528947
                   +1 :               0.00002114752751
                3p
                   -1 :              -0.00018228373744
                   +0 :              -0.00003268260613
                   +1 :               0.00005641005545
                3d
                   -2 :              -0.00000826656612
                   -1 :              -0.00000154870006
                   +0 :               0.00000809898011
                   +1 :               0.00000507986949
                   +2 :               0.00001576577619
             11 vec=     4.976970    -14.851799      4.091257   |vec|=   16.189026
                1s
                   +0 :              -0.00000950869210
                2s
                   +0 :               0.00005816091890
                3s
                   +0 :              -0.00002794709595
                2p
                   -1 :              -0.00013242620246
                   +0 :              -0.00017708944619
                   +1 :              -0.00003190242148
                3p
                   -1 :               0.00008770836107
                   +0 :               0.00013094667824
                   +1 :              -0.00001826980490
                3d
                   -2 :               0.00000270969019
                   -1 :              -0.00000511048482
                   +0 :               0.00000991500698
                   +1 :               0.00001133163687
                   +2 :               0.00001786774847
             12 vec=   -10.583355     12.099475      4.091257   |vec|=   16.587438
                1s
                   +0 :               0.00000199236874
                2s
                   +0 :              -0.00003972852834
                3s
                   +0 :               0.00002668087725
                2p
                   -1 :              -0.00000672127179
                   +0 :               0.00001918876580
                   +1 :              -0.00007382263605
                3p
                   -1 :              -0.00007031366724
                   +0 :              -0.00005184248195
                   +1 :               0.00007757717398
                3d
                   -2 :               0.00000966338881
                   -1 :               0.00000649874960
                   +0 :               0.00000154637256
                   +1 :              -0.00000809997896
                   +2 :               0.00000783131668
             13 vec=    12.757133    -10.359920      4.091257   |vec|=   16.935488
                1s
                   +0 :              -0.00000969281528
                2s
                   +0 :               0.00008379881852
                3s
                   +0 :              -0.00000897046168
                2p
                   -1 :               0.00006877849761
                   +0 :               0.00001232687915
                   +1 :               0.00005682097965
                3p
                   -1 :              -0.00008359426106
                   +0 :              -0.00000054002936
                   +1 :              -0.00000052662552
                3d
                   -2 :              -0.00000493378859
                   -1 :              -0.00000323433247
                   +0 :               0.00000099188415
                   +1 :              -0.00000011082838
                   +2 :              -0.00000233144625
             14 vec=    -2.803193     16.591354      4.091257   |vec|=   17.316735
                1s
                   +0 :              -0.00001662797418
                2s
                   +0 :               0.00009844569410
                3s
                   +0 :              -0.00005217722373
                2p
                   -1 :               0.00004633994409
                   +0 :              -0.00001737817545
                   +1 :              -0.00005759062166
                3p
                   -1 :              -0.00003493947860
                   +0 :               0.00005030900882
                   +1 :               0.00004001905314
                3d
                   -2 :               0.00000008652204
                   -1 :               0.00000103559495
                   +0 :               0.00000427737933
                   +1 :               0.00000247954131
                   +2 :              -0.00000020346995
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 24)  npairs=  14
              1 vec=     2.593388     -1.012769      4.091257   |vec|=    4.948711
                1s
                   +0 :              -0.00133737308130
                2s
                   +0 :               0.04593792982539
                3s
                   +0 :              -0.00246736125927
                2p
                   -1 :              -0.00841539223049
                   +0 :               0.03505299125788
                   +1 :               0.01052857615288
                3p
                   -1 :              -0.00118690994818
                   +0 :              -0.00490444163144
                   +1 :              -0.00453717978356
                3d
                   -2 :              -0.00087411091120
                   -1 :              -0.00112282217132
                   +0 :               0.00166201498186
                   +1 :              -0.00017491530855
                   +2 :              -0.00005933465527
              2 vec=    -5.186775      3.479110      4.091257   |vec|=    7.466273
                1s
                   +0 :              -0.00018258178707
                2s
                   +0 :               0.00086383161654
                3s
                   +0 :              -0.00063735239083
                2p
                   -1 :               0.00107651638937
                   +0 :               0.00426826390848
                   +1 :               0.00251182854590
                3p
                   -1 :              -0.00241998734611
                   +0 :              -0.00477134382584
                   +1 :              -0.00104322692630
                3d
                   -2 :              -0.00014817013499
                   -1 :               0.00026631467886
                   +0 :              -0.00013590144870
                   +1 :              -0.00012333510367
                   +2 :               0.00006175765069
              3 vec=    -5.186775     -5.504648      4.091257   |vec|=    8.598963
                1s
                   +0 :               0.00012067368771
                2s
                   +0 :              -0.00000697182237
                3s
                   +0 :              -0.00030460380553
                2p
                   -1 :               0.00135834024962
                   +0 :               0.00413783741435
                   +1 :               0.00007410864024
                3p
                   -1 :              -0.00033095420721
                   +0 :              -0.00291667831211
                   +1 :               0.00024875408107
                3d
                   -2 :              -0.00005102455041
                   -1 :               0.00017978673335
                   +0 :              -0.00005894241533
                   +1 :               0.00012526124139
                   +2 :              -0.00000642959464
              4 vec=     2.593388      7.970989      4.091257   |vec|=    9.327417
                1s
                   +0 :              -0.00025874976175
                2s
                   +0 :               0.00153656271841
                3s
                   +0 :              -0.00066124693113
                2p
                   -1 :               0.00215720718553
                   +0 :               0.00093853696170
                   +1 :              -0.00063400374346
                3p
                   -1 :              -0.00171365351643
                   +0 :               0.00039810675728
                   +1 :               0.00038216969082
                3d
                   -2 :               0.00002471984453
                   -1 :               0.00000864702076
                   +0 :               0.00015107170201
                   +1 :              -0.00009770304152
                   +2 :               0.00022738799873
              5 vec=     2.593388     -9.996527      4.091257   |vec|=   11.108312
                1s
                   +0 :               0.00012262965556
                2s
                   +0 :              -0.00068747237782
                3s
                   +0 :               0.00047746429906
                2p
                   -1 :               0.00117982126817
                   +0 :               0.00015733022232
                   +1 :              -0.00047778965659
                3p
                   -1 :              -0.00125667286145
                   +0 :               0.00007309410244
                   +1 :               0.00022147752684
                3d
                   -2 :              -0.00000830057489
                   -1 :               0.00001999180624
                   +0 :              -0.00010419398280
                   +1 :              -0.00003112908996
                   +2 :              -0.00009754039809
              6 vec=    10.373550      3.479110      4.091257   |vec|=   11.681316
                1s
                   +0 :               0.00010225403418
                2s
                   +0 :              -0.00040832508810
                3s
                   +0 :               0.00027796547495
                2p
                   -1 :              -0.00086998904328
                   +0 :              -0.00023194259478
                   +1 :              -0.00012644793441
                3p
                   -1 :               0.00094981218158
                   +0 :               0.00018726638854
                   +1 :               0.00027972289343
                3d
                   -2 :               0.00001277200808
                   -1 :              -0.00006309469390
                   +0 :              -0.00009728414626
                   +1 :               0.00001500068101
                   +2 :               0.00009934423245
              7 vec=    10.373550     -5.504648      4.091257   |vec|=   12.435838
                1s
                   +0 :              -0.00003343279769
                2s
                   +0 :               0.00055011357613
                3s
                   +0 :              -0.00010522395364
                2p
                   -1 :              -0.00093957825887
                   +0 :               0.00046907669325
                   +1 :               0.00054423489319
                3p
                   -1 :               0.00076779504764
                   +0 :              -0.00048273324748
                   +1 :              -0.00050722614247
                3d
                   -2 :               0.00000720628921
                   -1 :               0.00003172865080
                   +0 :              -0.00000531610867
                   +1 :              -0.00004343868966
                   +2 :              -0.00000258064863
              8 vec=   -12.966938     -1.012769      4.091257   |vec|=   13.634719
                1s
                   +0 :               0.00001800582777
                2s
                   +0 :              -0.00060243762398
                3s
                   +0 :              -0.00004071529989
                2p
                   -1 :               0.00006695827232
                   +0 :              -0.00050513698688
                   +1 :               0.00040558333339
                3p
                   -1 :               0.00008201282419
                   +0 :              -0.00006015687410
                   +1 :              -0.00007712298288
                3d
                   -2 :              -0.00000474338088
                   -1 :               0.00002272289246
                   +0 :              -0.00000858150569
                   +1 :               0.00001859544920
                   +2 :              -0.00000549060343
              9 vec=    -5.186775     12.462868      4.091257   |vec|=   14.105463
                1s
                   +0 :               0.00002331136466
                2s
                   +0 :              -0.00022921201612
                3s
                   +0 :               0.00005276672778
                2p
                   -1 :              -0.00039948162510
                   +0 :              -0.00038333636120
                   +1 :              -0.00022699494055
                3p
                   -1 :               0.00024962690567
                   +0 :               0.00021046010665
                   +1 :               0.00011662580706
                3d
                   -2 :               0.00000989483839
                   -1 :               0.00002574296143
                   +0 :              -0.00000770561402
                   +1 :              -0.00000528864372
                   +2 :              -0.00002151107468
             10 vec=   -12.966938      7.970989      4.091257   |vec|=   15.761235
                1s
                   +0 :              -0.00001963459239
                2s
                   +0 :               0.00007572820227
                3s
                   +0 :              -0.00007219115285
                2p
                   -1 :               0.00015061278152
                   +0 :              -0.00008980785539
                   +1 :               0.00002374762473
                3p
                   -1 :              -0.00017545283212
                   +0 :               0.00003511562555
                   +1 :              -0.00001047418360
                3d
                   -2 :               0.00001836094177
                   -1 :               0.00000567760433
                   +0 :              -0.00000132176003
                   +1 :              -0.00001392199636
                   +2 :               0.00000464625327
             11 vec=    -5.186775    -14.488406      4.091257   |vec|=   15.923408
                1s
                   +0 :               0.00002067209028
                2s
                   +0 :              -0.00013713642207
                3s
                   +0 :               0.00006491120579
                2p
                   -1 :               0.00018816895117
                   +0 :              -0.00002305204949
                   +1 :              -0.00003907601729
                3p
                   -1 :              -0.00009598371651
                   +0 :               0.00001797103619
                   +1 :               0.00000691642539
                3d
                   -2 :              -0.00000129923168
                   -1 :               0.00000329845275
                   +0 :               0.00000071859583
                   +1 :               0.00000211041933
                   +2 :              -0.00001070081974
             12 vec=    10.373550     12.462868      4.091257   |vec|=   16.723397
                1s
                   +0 :              -0.00001170485545
                2s
                   +0 :               0.00012013047137
                3s
                   +0 :              -0.00004354796474
                2p
                   -1 :               0.00031903966170
                   +0 :              -0.00002898828399
                   +1 :              -0.00008243601675
                3p
                   -1 :              -0.00024009815914
                   +0 :               0.00005094830916
                   +1 :               0.00006446819519
                3d
                   -2 :              -0.00000585626909
                   -1 :              -0.00000219091245
                   +0 :               0.00001028520518
                   +1 :              -0.00000523605554
                   +2 :               0.00000400459589
             13 vec=   -12.966938     -9.996527      4.091257   |vec|=   16.876327
                1s
                   +0 :               0.00002093175448
                2s
                   +0 :              -0.00017281478159
                3s
                   +0 :               0.00005078975478
                2p
                   -1 :               0.00019557573566
                   +0 :              -0.00006528725060
                   +1 :               0.00010839637842
                3p
                   -1 :              -0.00011660271417
                   +0 :               0.00001632725295
                   +1 :              -0.00002693425490
                3d
                   -2 :               0.00000456416930
                   -1 :              -0.00000355789663
                   +0 :               0.00000008352764
                   +1 :              -0.00000159386431
                   +2 :              -0.00001057151224
             14 vec=     2.593388     16.954747      4.091257   |vec|=   17.633136
                1s
                   +0 :               0.00000290044712
                2s
                   +0 :              -0.00003037356062
                3s
                   +0 :              -0.00000122642459
                2p
                   -1 :              -0.00002148682240
                   +0 :              -0.00007941988401
                   +1 :              -0.00000473936634
                3p
                   -1 :               0.00000161851995
                   +0 :               0.00005217915583
                   +1 :              -0.00002514599227
                3d
                   -2 :              -0.00000400255474
                   -1 :               0.00000310813538
                   +0 :               0.00000107714934
                   +1 :               0.00000079936136
                   +2 :              -0.00000666749618
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 25)  npairs=  12
              1 vec=     2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :              -0.00338684856942
                2s
                   +0 :               0.05981027171184
                3s
                   +0 :              -0.00766902921098
                2p
                   -1 :              -0.02978366845765
                   +0 :              -0.00052029294602
                   +1 :               0.00984132695775
                3p
                   -1 :               0.00149218373849
                   +0 :               0.00179562736222
                   +1 :              -0.00274073885507
                3d
                   -2 :              -0.00076913194006
                   -1 :               0.00017008094581
                   +0 :              -0.00181728544014
                   +1 :               0.00044668584840
                   +2 :              -0.00238643452634
              2 vec=    -5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00191888539242
                2s
                   +0 :              -0.05464248441685
                3s
                   +0 :               0.00077253575855
                2p
                   -1 :              -0.00255718350793
                   +0 :              -0.00335629450388
                   +1 :               0.03917063963611
                3p
                   -1 :               0.00226273768006
                   +0 :               0.00365461438772
                   +1 :               0.00251345759864
                3d
                   -2 :               0.00009419227860
                   -1 :              -0.00112148917928
                   +0 :               0.00169746065861
                   +1 :              -0.00055714577795
                   +2 :              -0.00312316284426
              3 vec=     2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :               0.00079384356951
                2s
                   +0 :               0.01687813237303
                3s
                   +0 :               0.00557252085692
                2p
                   -1 :               0.01203022861469
                   +0 :              -0.00566094835101
                   +1 :               0.00109459195648
                3p
                   -1 :               0.00889181099624
                   +0 :               0.00609505249590
                   +1 :               0.00207068538960
                3d
                   -2 :               0.00138843067837
                   -1 :               0.00042422871433
                   +0 :              -0.00114116913306
                   +1 :               0.00042652463531
                   +2 :              -0.00193198406659
              4 vec=    -5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00023875729322
                2s
                   +0 :              -0.00311691462091
                3s
                   +0 :               0.00022999159631
                2p
                   -1 :               0.00354643944653
                   +0 :               0.00044627687692
                   +1 :               0.00272151658005
                3p
                   -1 :              -0.00068390369796
                   +0 :              -0.00027171782057
                   +1 :              -0.00062081072598
                3d
                   -2 :              -0.00012814306140
                   -1 :              -0.00003717615279
                   +0 :               0.00000542345266
                   +1 :               0.00001077661523
                   +2 :               0.00005647143541
              5 vec=    10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00094461510623
                2s
                   +0 :               0.00826740224937
                3s
                   +0 :              -0.00197229168809
                2p
                   -1 :              -0.00254279924637
                   +0 :               0.00036631068757
                   +1 :               0.00835123097847
                3p
                   -1 :               0.00201389671544
                   +0 :              -0.00005581016228
                   +1 :              -0.00140046169771
                3d
                   -2 :               0.00016879108789
                   -1 :               0.00011554934125
                   +0 :              -0.00033604489068
                   +1 :               0.00017040045532
                   +2 :               0.00037401871196
              6 vec=    -5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :               0.00072101366635
                2s
                   +0 :              -0.00527145179795
                3s
                   +0 :               0.00198940399309
                2p
                   -1 :              -0.00449831006062
                   +0 :               0.00138169816384
                   +1 :               0.00135448091603
                3p
                   -1 :               0.00199491958715
                   +0 :              -0.00129903573325
                   +1 :              -0.00041758236580
                3d
                   -2 :              -0.00002708838207
                   -1 :              -0.00004476193722
                   +0 :               0.00000187126974
                   +1 :               0.00006033200774
                   +2 :              -0.00002551514566
              7 vec=     2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00001964724822
                2s
                   +0 :              -0.00027384849099
                3s
                   +0 :               0.00002806607365
                2p
                   -1 :               0.00024322666026
                   +0 :               0.00008728633213
                   +1 :              -0.00013103841410
                3p
                   -1 :               0.00003604827028
                   +0 :              -0.00007272846422
                   +1 :              -0.00013000755576
                3d
                   -2 :               0.00002595335948
                   -1 :              -0.00000204859559
                   +0 :              -0.00000955265736
                   +1 :              -0.00000037703373
                   +2 :               0.00003854965585
              8 vec=    10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :               0.00001397831840
                2s
                   +0 :               0.00035702469849
                3s
                   +0 :               0.00015347829348
                2p
                   -1 :               0.00006603725375
                   +0 :               0.00009519965181
                   +1 :               0.00011387205152
                3p
                   -1 :              -0.00006293469986
                   +0 :              -0.00009316316139
                   +1 :               0.00018249037288
                3d
                   -2 :               0.00001353184982
                   -1 :               0.00000755246507
                   +0 :               0.00000260578914
                   +1 :              -0.00000304320390
                   +2 :               0.00001389473283
              9 vec=   -13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00000251977811
                2s
                   +0 :              -0.00032832460923
                3s
                   +0 :              -0.00009631947857
                2p
                   -1 :               0.00012853840982
                   +0 :               0.00013259144129
                   +1 :               0.00020614256324
                3p
                   -1 :               0.00021228030231
                   +0 :              -0.00011210097299
                   +1 :               0.00002311275943
                3d
                   -2 :              -0.00004034815946
                   -1 :              -0.00001089833918
                   +0 :               0.00003781679634
                   +1 :              -0.00000505728225
                   +2 :               0.00004498663750
             10 vec=    10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :              -0.00003547305180
                2s
                   +0 :               0.00065688312187
                3s
                   +0 :              -0.00006405580393
                2p
                   -1 :              -0.00006379789473
                   +0 :               0.00010782539331
                   +1 :               0.00047319529975
                3p
                   -1 :               0.00029239562127
                   +0 :              -0.00011198007023
                   +1 :              -0.00012844599316
                3d
                   -2 :               0.00002971829328
                   -1 :              -0.00000097458239
                   +0 :              -0.00001935110709
                   +1 :               0.00000648670471
                   +2 :              -0.00003225048416
             11 vec=   -13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00008858032066
                2s
                   +0 :              -0.00095519822813
                3s
                   +0 :               0.00020826833347
                2p
                   -1 :              -0.00079651613119
                   +0 :              -0.00024680483696
                   +1 :               0.00043128351276
                3p
                   -1 :               0.00033226990506
                   +0 :               0.00019466804070
                   +1 :              -0.00028278968220
                3d
                   -2 :              -0.00002445113417
                   -1 :              -0.00000448555411
                   +0 :              -0.00002278090046
                   +1 :              -0.00000540218817
                   +2 :               0.00003193270219
             12 vec=     2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :               0.00004468030658
                2s
                   +0 :              -0.00038307482526
                3s
                   +0 :               0.00010645738404
                2p
                   -1 :              -0.00029391366113
                   +0 :               0.00007991698138
                   +1 :              -0.00003219341394
                3p
                   -1 :               0.00002168445280
                   +0 :              -0.00007964221505
                   +1 :              -0.00011268227445
                3d
                   -2 :              -0.00002357370089
                   -1 :              -0.00001112539520
                   +0 :              -0.00000028288537
                   +1 :              -0.00000368610309
                   +2 :               0.00001558879682
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 26)  npairs=  12
              1 vec=    -2.383582     -4.128486      0.000000   |vec|=    4.767165
                1s
                   +0 :               0.00344645096822
                2s
                   +0 :              -0.06033950670465
                3s
                   +0 :               0.00780426394568
                2p
                   -1 :               0.02948280103336
                   +0 :              -0.00043120040110
                   +1 :               0.00954494338177
                3p
                   -1 :              -0.00110813777237
                   +0 :               0.00184438728895
                   +1 :              -0.00235508220970
                3d
                   -2 :              -0.00074779975277
                   -1 :               0.00014077534096
                   +0 :               0.00182879950607
                   +1 :              -0.00044144199719
                   +2 :               0.00240288575631
              2 vec=    -2.383582      4.855272      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00085997626429
                2s
                   +0 :              -0.01665263723874
                3s
                   +0 :              -0.00577300386741
                2p
                   -1 :              -0.01209316776519
                   +0 :              -0.00636375269843
                   +1 :               0.00119722225323
                3p
                   -1 :              -0.00888644874224
                   +0 :               0.00633544094628
                   +1 :               0.00212219795716
                3d
                   -2 :               0.00140856377404
                   -1 :               0.00037364212889
                   +0 :               0.00116929237194
                   +1 :              -0.00036950550566
                   +2 :               0.00187965431158
              3 vec=     5.396580      0.363393      0.000000   |vec|=    5.408801
                1s
                   +0 :              -0.00194759693345
                2s
                   +0 :               0.05467177615597
                3s
                   +0 :              -0.00071408573835
                2p
                   -1 :               0.00339385290570
                   +0 :              -0.00225315433388
                   +1 :               0.03901562763836
                3p
                   -1 :              -0.00293734610559
                   +0 :               0.00293253983982
                   +1 :               0.00257420500257
                3d
                   -2 :               0.00004926863064
                   -1 :              -0.00116882130080
                   +0 :              -0.00163209299540
                   +1 :               0.00058947043404
                   +2 :               0.00310273228782
              4 vec=   -10.163745      0.363393      0.000000   |vec|=   10.170239
                1s
                   +0 :               0.00097562919291
                2s
                   +0 :              -0.00857913899105
                3s
                   +0 :               0.00207774349812
                2p
                   -1 :               0.00244468582228
                   +0 :               0.00010055640057
                   +1 :               0.00843541009173
                3p
                   -1 :              -0.00193142736383
                   +0 :               0.00002168917593
                   +1 :              -0.00139029076232
                3d
                   -2 :               0.00016350894560
                   -1 :               0.00010953578786
                   +0 :               0.00033544589502
                   +1 :              -0.00017377795933
                   +2 :              -0.00037454124760
              5 vec=     5.396580     -8.620365      0.000000   |vec|=   10.170239
                1s
                   +0 :              -0.00024783572799
                2s
                   +0 :               0.00313392379450
                3s
                   +0 :              -0.00023332564553
                2p
                   -1 :              -0.00345968613021
                   +0 :               0.00039117932658
                   +1 :               0.00263405619083
                3p
                   -1 :               0.00064002495560
                   +0 :              -0.00017649217054
                   +1 :              -0.00059526675306
                3d
                   -2 :              -0.00012823390533
                   -1 :              -0.00003722043171
                   +0 :               0.00000559015246
                   +1 :              -0.00000910451448
                   +2 :              -0.00005475825064
              6 vec=     5.396580      9.347151      0.000000   |vec|=   10.793160
                1s
                   +0 :              -0.00067395840403
                2s
                   +0 :               0.00499563641940
                3s
                   +0 :              -0.00189426650892
                2p
                   -1 :               0.00431655143738
                   +0 :               0.00141365829424
                   +1 :               0.00123738046760
                3p
                   -1 :              -0.00185455264769
                   +0 :              -0.00133075675738
                   +1 :              -0.00034112048995
                3d
                   -2 :              -0.00002570847710
                   -1 :              -0.00003906471516
                   +0 :              -0.00000306844890
                   +1 :              -0.00006723021663
                   +2 :               0.00003596532222
              7 vec=   -10.163745     -8.620365      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00000187865868
                2s
                   +0 :              -0.00042576816260
                3s
                   +0 :              -0.00009527102439
                2p
                   -1 :              -0.00007867166234
                   +0 :               0.00011647573205
                   +1 :               0.00012490965146
                3p
                   -1 :               0.00005436148482
                   +0 :              -0.00009298208841
                   +1 :               0.00015189929733
                3d
                   -2 :               0.00001240996838
                   -1 :              -0.00000204306929
                   +0 :              -0.00000271755767
                   +1 :               0.00000528332797
                   +2 :              -0.00001502706510
              8 vec=    -2.383582    -13.112244      0.000000   |vec|=   13.327131
                1s
                   +0 :              -0.00000439302180
                2s
                   +0 :               0.00018569642741
                3s
                   +0 :               0.00001179666007
                2p
                   -1 :              -0.00020677125371
                   +0 :               0.00018460766813
                   +1 :              -0.00023470512055
                3p
                   -1 :              -0.00005639722505
                   +0 :              -0.00015569306633
                   +1 :              -0.00004482125251
                3d
                   -2 :               0.00002254960150
                   -1 :               0.00000457135935
                   +0 :               0.00000879332850
                   +1 :              -0.00000150852375
                   +2 :              -0.00004136341262
              9 vec=   -10.163745      9.347151      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00004623832250
                2s
                   +0 :              -0.00070224186315
                3s
                   +0 :               0.00011836727052
                2p
                   -1 :              -0.00008263783725
                   +0 :              -0.00005113516842
                   +1 :               0.00058259824067
                3p
                   -1 :              -0.00015072431178
                   +0 :               0.00003706402174
                   +1 :              -0.00024634751448
                3d
                   -2 :               0.00002462494783
                   -1 :              -0.00000426041108
                   +0 :               0.00002098853149
                   +1 :              -0.00002424177617
                   +2 :               0.00002193210297
             10 vec=    13.176743     -4.128486      0.000000   |vec|=   13.808365
                1s
                   +0 :               0.00000014633776
                2s
                   +0 :               0.00036980295225
                3s
                   +0 :               0.00008683966017
                2p
                   -1 :              -0.00010241129889
                   +0 :               0.00008117579248
                   +1 :               0.00029183254518
                3p
                   -1 :              -0.00025145636770
                   +0 :              -0.00006593550593
                   +1 :              -0.00004701044053
                3d
                   -2 :              -0.00003979381880
                   -1 :              -0.00000758496136
                   +0 :              -0.00003902635666
                   +1 :               0.00000496670206
                   +2 :              -0.00004495567453
             11 vec=    -2.383582     13.839030      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00005314794872
                2s
                   +0 :               0.00041769610460
                3s
                   +0 :              -0.00013617055451
                2p
                   -1 :               0.00032902304081
                   +0 :               0.00009839238268
                   +1 :              -0.00006113632647
                3p
                   -1 :              -0.00005715841688
                   +0 :              -0.00009637733108
                   +1 :              -0.00008906922322
                3d
                   -2 :              -0.00002191174847
                   -1 :              -0.00000854381745
                   +0 :              -0.00000372663060
                   +1 :               0.00000200327388
                   +2 :              -0.00001724654696
             12 vec=    13.176743      4.855272      0.000000   |vec|=   14.042799
                1s
                   +0 :              -0.00010102420639
                2s
                   +0 :               0.00102352348063
                3s
                   +0 :              -0.00023390817881
                2p
                   -1 :               0.00078352703379
                   +0 :              -0.00028708204863
                   +1 :               0.00037047445798
                3p
                   -1 :              -0.00032227225227
                   +0 :               0.00024738306333
                   +1 :              -0.00023156947622
                3d
                   -2 :              -0.00002191695792
                   -1 :              -0.00000433633324
                   +0 :               0.00001227023381
                   +1 :               0.00000651657708
                   +2 :              -0.00002610335251
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 27)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00004246963982
                2s
                   +0 :              -0.00081694041941
                3s
                   +0 :               0.00025852578484
                2p
                   -1 :              -0.00051185341127
                   +0 :              -0.02975402535105
                   +1 :               0.88315871607599
                3p
                   -1 :               0.00037405109156
                   +0 :               0.01114389940460
                   +1 :              -0.04486856030304
                3d
                   -2 :               0.00246844967588
                   -1 :               0.00320124455885
                   +0 :               0.00003800752301
                   +1 :              -0.00016547074917
                   +2 :               0.00003572655103
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00037826735743
                2s
                   +0 :              -0.00200112365317
                3s
                   +0 :               0.00096880559385
                2p
                   -1 :               0.00211581076870
                   +0 :              -0.00088679248573
                   +1 :               0.00017720501434
                3p
                   -1 :              -0.00135519617707
                   +0 :               0.00091130163266
                   +1 :              -0.00002515578314
                3d
                   -2 :               0.00019018573102
                   -1 :               0.00001853356166
                   +0 :               0.00008279861387
                   +1 :              -0.00001383959534
                   +2 :               0.00001989412431
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00020964063563
                2s
                   +0 :              -0.00110953626990
                3s
                   +0 :               0.00034461559171
                2p
                   -1 :              -0.00352090311851
                   +0 :              -0.00013786050946
                   +1 :              -0.00107836794670
                3p
                   -1 :               0.00090806653006
                   +0 :               0.00011915069872
                   +1 :               0.00097681004024
                3d
                   -2 :               0.00019825984774
                   -1 :              -0.00007251808412
                   +0 :              -0.00013010663449
                   +1 :              -0.00010032294983
                   +2 :              -0.00001143080228
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000951121214
                2s
                   +0 :               0.00003705793809
                3s
                   +0 :              -0.00001232444673
                2p
                   -1 :               0.00015547528932
                   +0 :               0.00057174349165
                   +1 :              -0.00451507565337
                3p
                   -1 :              -0.00014277304862
                   +0 :              -0.00055858373021
                   +1 :               0.00096332836978
                3d
                   -2 :               0.00014582240724
                   -1 :               0.00006123770489
                   +0 :              -0.00000648427666
                   +1 :              -0.00000601980956
                   +2 :              -0.00000741353215
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00000009458828
                2s
                   +0 :              -0.00003492158271
                3s
                   +0 :               0.00001127403077
                2p
                   -1 :              -0.00004045158647
                   +0 :              -0.00001065848277
                   +1 :              -0.00218469753197
                3p
                   -1 :               0.00003518962675
                   +0 :              -0.00005524020626
                   +1 :              -0.00103060826199
                3d
                   -2 :              -0.00048835710075
                   -1 :               0.00020534128259
                   +0 :               0.00000053098303
                   +1 :               0.00000104380725
                   +2 :               0.00000905266820
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00038439569004
                2s
                   +0 :               0.00208652387999
                3s
                   +0 :              -0.00097861992994
                2p
                   -1 :              -0.00220750072573
                   +0 :              -0.00096743366136
                   +1 :               0.00006267649888
                3p
                   -1 :               0.00141038706115
                   +0 :               0.00089500941479
                   +1 :               0.00013787739136
                3d
                   -2 :               0.00019734001745
                   -1 :               0.00002818317891
                   +0 :              -0.00007607071848
                   +1 :               0.00000946453630
                   +2 :              -0.00000653439974
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00018534916589
                2s
                   +0 :               0.00093115881891
                3s
                   +0 :              -0.00030528664180
                2p
                   -1 :               0.00381479954543
                   +0 :               0.00012970711884
                   +1 :              -0.00074724244906
                3p
                   -1 :              -0.00122181180487
                   +0 :              -0.00016025520067
                   +1 :               0.00058106118788
                3d
                   -2 :               0.00018997562666
                   -1 :              -0.00010008476331
                   +0 :               0.00015183131623
                   +1 :               0.00007157260289
                   +2 :              -0.00001487593285
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00007695852957
                2s
                   +0 :              -0.00107975317306
                3s
                   +0 :               0.00009690064997
                2p
                   -1 :               0.00030066435359
                   +0 :              -0.00015798974936
                   +1 :               0.00122368610387
                3p
                   -1 :              -0.00011781339362
                   +0 :               0.00010476064979
                   +1 :              -0.00017603936082
                3d
                   -2 :              -0.00000292479903
                   -1 :               0.00000230754228
                   +0 :               0.00001510102105
                   +1 :              -0.00000349547785
                   +2 :              -0.00004993651942
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003415544083
                2s
                   +0 :              -0.00050127107127
                3s
                   +0 :               0.00001514156996
                2p
                   -1 :               0.00043023950152
                   +0 :              -0.00006881085455
                   +1 :               0.00010555092341
                3p
                   -1 :               0.00003723095113
                   +0 :               0.00004978081822
                   +1 :               0.00007991302833
                3d
                   -2 :              -0.00003219476805
                   -1 :              -0.00000101111697
                   +0 :               0.00002236616073
                   +1 :               0.00001405650015
                   +2 :               0.00002439865455
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000582015742
                2s
                   +0 :              -0.00028622928621
                3s
                   +0 :              -0.00005608394428
                2p
                   -1 :              -0.00070040596630
                   +0 :               0.00030498218869
                   +1 :               0.00025383321740
                3p
                   -1 :               0.00027320797641
                   +0 :              -0.00029557267786
                   +1 :              -0.00008406670014
                3d
                   -2 :               0.00000912937007
                   -1 :              -0.00002394771260
                   +0 :              -0.00001844584590
                   +1 :               0.00002723760779
                   +2 :              -0.00002545810448
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004042685975
                2s
                   +0 :               0.00054591356031
                3s
                   +0 :              -0.00003307056148
                2p
                   -1 :              -0.00047265934437
                   +0 :              -0.00002383894120
                   +1 :               0.00012539223671
                3p
                   -1 :               0.00000764289290
                   +0 :               0.00002151575475
                   +1 :               0.00006089391119
                3d
                   -2 :              -0.00002932003589
                   -1 :               0.00000036217714
                   +0 :              -0.00002311842090
                   +1 :              -0.00001215303531
                   +2 :              -0.00002162770269
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000322787599
                2s
                   +0 :               0.00030223446372
                3s
                   +0 :               0.00005412863633
                2p
                   -1 :               0.00066831448538
                   +0 :               0.00028266686459
                   +1 :               0.00026609595856
                3p
                   -1 :              -0.00023724370385
                   +0 :              -0.00026591201159
                   +1 :              -0.00009984765840
                3d
                   -2 :               0.00000593524780
                   -1 :              -0.00002412005919
                   +0 :               0.00001779198067
                   +1 :              -0.00002272373965
                   +2 :               0.00002297188405
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008155784554
                2s
                   +0 :               0.00111200587140
                3s
                   +0 :              -0.00010991365195
                2p
                   -1 :              -0.00032579081979
                   +0 :              -0.00017884229088
                   +1 :               0.00120046652698
                3p
                   -1 :               0.00015076899319
                   +0 :               0.00010178122527
                   +1 :              -0.00015674001073
                3d
                   -2 :              -0.00000086372949
                   -1 :              -0.00000043899725
                   +0 :              -0.00001709506387
                   +1 :               0.00000327653564
                   +2 :               0.00004910514199
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002492687648
                2s
                   +0 :              -0.00024343184051
                3s
                   +0 :               0.00005694756223
                2p
                   -1 :               0.00017428990152
                   +0 :               0.00002936933716
                   +1 :               0.00013492375933
                3p
                   -1 :              -0.00006677535404
                   +0 :              -0.00002806490880
                   +1 :              -0.00002495978665
                3d
                   -2 :              -0.00000034400031
                   -1 :               0.00000042225763
                   +0 :               0.00000204885785
                   +1 :               0.00000547027179
                   +2 :              -0.00000068866574
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001009346306
                2s
                   +0 :              -0.00013460264627
                3s
                   +0 :               0.00001425950662
                2p
                   -1 :              -0.00005743968438
                   +0 :              -0.00002612998356
                   +1 :               0.00008594223266
                3p
                   -1 :              -0.00001668744059
                   +0 :               0.00002020905371
                   +1 :               0.00001262939232
                3d
                   -2 :              -0.00000016413673
                   -1 :               0.00000494535026
                   +0 :               0.00000559787172
                   +1 :              -0.00000189646094
                   +2 :               0.00000160288431
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000052438044
                2s
                   +0 :               0.00000597496925
                3s
                   +0 :              -0.00000054023234
                2p
                   -1 :              -0.00000250403890
                   +0 :              -0.00001075197913
                   +1 :              -0.00000608965701
                3p
                   -1 :               0.00000168710267
                   +0 :               0.00000054166023
                   +1 :               0.00003394596330
                3d
                   -2 :              -0.00000666394600
                   -1 :               0.00000017753028
                   +0 :               0.00000019081779
                   +1 :              -0.00000062007528
                   +2 :               0.00000009208730
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000267979163
                2s
                   +0 :              -0.00001871489419
                3s
                   +0 :               0.00000732074688
                2p
                   -1 :              -0.00001478248635
                   +0 :               0.00003527762589
                   +1 :               0.00004420799387
                3p
                   -1 :               0.00000907985712
                   +0 :              -0.00002627352977
                   +1 :              -0.00001490277017
                3d
                   -2 :               0.00000182475954
                   -1 :              -0.00000517802138
                   +0 :               0.00000157005508
                   +1 :               0.00000069804879
                   +2 :              -0.00000024145716
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00002579271308
                2s
                   +0 :               0.00024847888540
                3s
                   +0 :              -0.00006302121652
                2p
                   -1 :              -0.00017564187306
                   +0 :               0.00004750840400
                   +1 :               0.00015656299954
                3p
                   -1 :               0.00006893151688
                   +0 :              -0.00004430567892
                   +1 :              -0.00004346961892
                3d
                   -2 :               0.00000085487681
                   -1 :               0.00000112423047
                   +0 :              -0.00000435011906
                   +1 :              -0.00000562168790
                   +2 :               0.00000065339626
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000072932961
                2s
                   +0 :               0.00007920496915
                3s
                   +0 :               0.00001586632654
                2p
                   -1 :               0.00005099554792
                   +0 :              -0.00004965805365
                   +1 :               0.00008163320089
                3p
                   -1 :               0.00001902716287
                   +0 :               0.00003455426814
                   +1 :               0.00001186994640
                3d
                   -2 :               0.00000133166233
                   -1 :               0.00000299127012
                   +0 :              -0.00000137514563
                   +1 :               0.00000175865911
                   +2 :              -0.00000218121254
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 28)  npairs=  14
              1 vec=    -2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005450086435
                2s
                   +0 :              -0.00063803663844
                3s
                   +0 :               0.00016815150627
                2p
                   -1 :              -0.00026515630274
                   +0 :               0.00030592278868
                   +1 :              -0.00013159545450
                3p
                   -1 :               0.00016536284127
                   +0 :              -0.00018305293048
                   +1 :               0.00003673713392
                3d
                   -2 :               0.00000755103199
                   -1 :              -0.00000261419995
                   +0 :               0.00001265252482
                   +1 :               0.00000501042380
                   +2 :              -0.00001825941879
              2 vec=    -2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00002113508640
                2s
                   +0 :              -0.00003698197249
                3s
                   +0 :               0.00009612793877
                2p
                   -1 :               0.00025106145047
                   +0 :               0.00004745990641
                   +1 :              -0.00021287269185
                3p
                   -1 :              -0.00024569739718
                   +0 :               0.00000685782363
                   +1 :               0.00006096747174
                3d
                   -2 :               0.00001478186070
                   -1 :              -0.00000009380704
                   +0 :               0.00001826223399
                   +1 :              -0.00000747071869
                   +2 :              -0.00001160029288
              3 vec=     5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002057219802
                2s
                   +0 :               0.00019339460141
                3s
                   +0 :               0.00021495452525
                2p
                   -1 :               0.00037852935470
                   +0 :              -0.00010346625755
                   +1 :              -0.00037390593516
                3p
                   -1 :              -0.00005395160158
                   +0 :              -0.00032060773732
                   +1 :               0.00024779345854
                3d
                   -2 :               0.00000419061992
                   -1 :              -0.00003919855153
                   +0 :               0.00005120587771
                   +1 :              -0.00002413410602
                   +2 :              -0.00000028472168
              4 vec=     5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004135997621
                2s
                   +0 :               0.00048752427721
                3s
                   +0 :              -0.00009496932085
                2p
                   -1 :               0.00032567113582
                   +0 :               0.00026603186789
                   +1 :               0.00014837998788
                3p
                   -1 :              -0.00010690714807
                   +0 :              -0.00002661819188
                   +1 :              -0.00017090965403
                3d
                   -2 :               0.00002119631761
                   -1 :               0.00001564616328
                   +0 :               0.00001458095580
                   +1 :              -0.00001017039339
                   +2 :              -0.00000706835533
              5 vec=     5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00003245758089
                2s
                   +0 :               0.00032943234722
                3s
                   +0 :              -0.00008904991216
                2p
                   -1 :               0.00012555588737
                   +0 :              -0.00015339077821
                   +1 :               0.00014899165545
                3p
                   -1 :              -0.00006848646715
                   +0 :               0.00001016017104
                   +1 :              -0.00001160356431
                3d
                   -2 :              -0.00001084737841
                   -1 :              -0.00000905397639
                   +0 :              -0.00000704438364
                   +1 :              -0.00001466663516
                   +2 :               0.00000723215405
              6 vec=     5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00005062192893
                2s
                   +0 :               0.00036645479228
                3s
                   +0 :              -0.00013346050757
                2p
                   -1 :              -0.00021537725762
                   +0 :               0.00019650763536
                   +1 :               0.00029673785924
                3p
                   -1 :               0.00016930712636
                   +0 :              -0.00004834084007
                   +1 :              -0.00010150544457
                3d
                   -2 :               0.00000383675291
                   -1 :               0.00001836128569
                   +0 :               0.00000924350905
                   +1 :               0.00001542173877
                   +2 :              -0.00000605045462
              7 vec=    -2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000456725354
                2s
                   +0 :              -0.00002068880419
                3s
                   +0 :               0.00000886808814
                2p
                   -1 :              -0.00028040517735
                   +0 :               0.00025360967768
                   +1 :              -0.00004689904464
                3p
                   -1 :               0.00023413200758
                   +0 :              -0.00028994727022
                   +1 :               0.00002583206133
                3d
                   -2 :              -0.00001977585180
                   -1 :              -0.00002496477861
                   +0 :               0.00002209842726
                   +1 :              -0.00000845581053
                   +2 :              -0.00002321936786
              8 vec=    -2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002915198415
                2s
                   +0 :               0.00018578141955
                3s
                   +0 :              -0.00010628731167
                2p
                   -1 :               0.00013933746014
                   +0 :               0.00014690344058
                   +1 :              -0.00015205852943
                3p
                   -1 :              -0.00010129712180
                   +0 :              -0.00003392787560
                   +1 :               0.00010591760630
                3d
                   -2 :               0.00000953127091
                   -1 :              -0.00001736572469
                   +0 :               0.00000355427586
                   +1 :               0.00001636563840
                   +2 :               0.00000143562733
              9 vec=    -2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001865422344
                2s
                   +0 :              -0.00011996472740
                3s
                   +0 :               0.00004317449155
                2p
                   -1 :               0.00011526845035
                   +0 :               0.00004543635456
                   +1 :              -0.00003461666411
                3p
                   -1 :              -0.00007134388959
                   +0 :              -0.00000661055956
                   +1 :              -0.00000060984975
                3d
                   -2 :               0.00000104500344
                   -1 :              -0.00000075766849
                   +0 :              -0.00000674656471
                   +1 :               0.00000099375953
                   +2 :              -0.00000032154656
             10 vec=    -2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001394216140
                2s
                   +0 :              -0.00008154562890
                3s
                   +0 :               0.00002238841505
                2p
                   -1 :               0.00019283918909
                   +0 :               0.00004025765455
                   +1 :              -0.00019449061901
                3p
                   -1 :              -0.00013760184139
                   +0 :              -0.00007368643126
                   +1 :               0.00014557518640
                3d
                   -2 :              -0.00000458995211
                   -1 :              -0.00000121245333
                   +0 :              -0.00001685763866
                   +1 :               0.00001005302946
                   +2 :              -0.00000568525256
             11 vec=   -10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00003933185885
                2s
                   +0 :              -0.00026133913230
                3s
                   +0 :               0.00011810316132
                2p
                   -1 :              -0.00018802634513
                   +0 :               0.00028743194906
                   +1 :               0.00016545416742
                3p
                   -1 :               0.00016405736845
                   +0 :              -0.00015982399565
                   +1 :              -0.00010569988395
                3d
                   -2 :              -0.00000175623686
                   -1 :              -0.00001020681019
                   +0 :               0.00000755530351
                   +1 :               0.00001739468003
                   +2 :               0.00001117063966
             12 vec=   -10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002175933814
                2s
                   +0 :               0.00010145136173
                3s
                   +0 :              -0.00007234037762
                2p
                   -1 :              -0.00005769272018
                   +0 :               0.00014213738258
                   +1 :              -0.00002240189442
                3p
                   -1 :               0.00003992711807
                   +0 :              -0.00016948135863
                   +1 :               0.00001967705584
                3d
                   -2 :              -0.00000290714217
                   -1 :              -0.00000065218592
                   +0 :              -0.00001284597294
                   +1 :               0.00000339727236
                   +2 :               0.00001101430977
             13 vec=   -10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000688974011
                2s
                   +0 :              -0.00010541444029
                3s
                   +0 :               0.00000014129631
                2p
                   -1 :               0.00007259629295
                   +0 :               0.00004671953671
                   +1 :               0.00008525686044
                3p
                   -1 :              -0.00001607312865
                   +0 :               0.00001381643413
                   +1 :              -0.00000282300345
                3d
                   -2 :               0.00000212582597
                   -1 :               0.00000178147314
                   +0 :              -0.00000083846131
                   +1 :               0.00000120615269
                   +2 :               0.00000271436958
             14 vec=   -10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00002880259735
                2s
                   +0 :              -0.00024513301149
                3s
                   +0 :               0.00007795768877
                2p
                   -1 :               0.00002832164804
                   +0 :              -0.00014362764723
                   +1 :               0.00016236886182
                3p
                   -1 :               0.00002381063007
                   +0 :               0.00004038153131
                   +1 :              -0.00004673759221
                3d
                   -2 :              -0.00000708857826
                   -1 :               0.00000387889016
                   +0 :               0.00000021778892
                   +1 :               0.00000095238176
                   +2 :              -0.00000280563165
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 29)  npairs=  14
              1 vec=     2.384101     -1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003447970178
                2s
                   +0 :              -0.00039315207208
                3s
                   +0 :               0.00015348855274
                2p
                   -1 :               0.00000097358547
                   +0 :               0.00018621614293
                   +1 :              -0.00016438299890
                3p
                   -1 :               0.00007953066405
                   +0 :              -0.00004621428019
                   +1 :               0.00003486388765
                3d
                   -2 :               0.00001621996216
                   -1 :               0.00000915516035
                   +0 :              -0.00001866374255
                   +1 :               0.00001040561051
                   +2 :              -0.00001477424128
              2 vec=     2.384101     -1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00007872387416
                2s
                   +0 :               0.00075524094084
                3s
                   +0 :              -0.00023537063762
                2p
                   -1 :               0.00036163446123
                   +0 :               0.00049180983134
                   +1 :               0.00004449286229
                3p
                   -1 :              -0.00031406426175
                   +0 :              -0.00030460225303
                   +1 :              -0.00008971314213
                3d
                   -2 :               0.00000683301887
                   -1 :              -0.00001751442080
                   +0 :              -0.00001989064010
                   +1 :              -0.00001974733074
                   +2 :               0.00001520404846
              3 vec=    -5.396061      3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00001009614819
                2s
                   +0 :              -0.00031178663945
                3s
                   +0 :              -0.00001440704017
                2p
                   -1 :              -0.00044328464167
                   +0 :               0.00034661332237
                   +1 :              -0.00002189082010
                3p
                   -1 :               0.00013768411986
                   +0 :              -0.00006739790805
                   +1 :              -0.00004608371936
                3d
                   -2 :               0.00001826496039
                   -1 :               0.00001335896119
                   +0 :              -0.00002150235790
                   +1 :               0.00000178737780
                   +2 :               0.00002502660754
              4 vec=    -5.396061      3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00009204474243
                2s
                   +0 :              -0.00104295086384
                3s
                   +0 :               0.00024998485017
                2p
                   -1 :              -0.00057303258383
                   +0 :              -0.00058797915763
                   +1 :              -0.00021486229064
                3p
                   -1 :               0.00021219848355
                   +0 :               0.00000938866198
                   +1 :               0.00016709265369
                3d
                   -2 :              -0.00002564193498
                   -1 :              -0.00002107918225
                   +0 :              -0.00001107860885
                   +1 :               0.00001990017418
                   +2 :               0.00001936692121
              5 vec=    -5.396061     -5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00009871998666
                2s
                   +0 :              -0.00085831994961
                3s
                   +0 :               0.00021972974945
                2p
                   -1 :               0.00029770351520
                   +0 :               0.00057248836877
                   +1 :               0.00023234259127
                3p
                   -1 :              -0.00015973933188
                   +0 :              -0.00016284770720
                   +1 :              -0.00006968133820
                3d
                   -2 :               0.00001219470289
                   -1 :               0.00000743334194
                   +0 :              -0.00000681915727
                   +1 :              -0.00002343761205
                   +2 :              -0.00000143021062
              6 vec=    -5.396061     -5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00002255513125
                2s
                   +0 :              -0.00030922095299
                3s
                   +0 :               0.00005680102319
                2p
                   -1 :              -0.00020684044638
                   +0 :              -0.00011863729236
                   +1 :               0.00003160064227
                3p
                   -1 :               0.00013658228976
                   +0 :              -0.00004040235256
                   +1 :               0.00009413411302
                3d
                   -2 :              -0.00000879287098
                   -1 :              -0.00000754120144
                   +0 :              -0.00000118095775
                   +1 :               0.00001647266729
                   +2 :              -0.00001587594690
              7 vec=     2.384101      7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00000841636292
                2s
                   +0 :              -0.00003198471526
                3s
                   +0 :              -0.00005490416418
                2p
                   -1 :              -0.00009011186253
                   +0 :              -0.00011522278390
                   +1 :               0.00021156230455
                3p
                   -1 :               0.00002645836610
                   +0 :               0.00022696530276
                   +1 :              -0.00020022189316
                3d
                   -2 :              -0.00000128253294
                   -1 :               0.00001575214491
                   +0 :              -0.00003659234166
                   +1 :               0.00001672945249
                   +2 :               0.00000887799283
              8 vec=     2.384101      7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002924970042
                2s
                   +0 :               0.00018851646401
                3s
                   +0 :              -0.00009534263184
                2p
                   -1 :               0.00013725192097
                   +0 :               0.00019613052829
                   +1 :              -0.00004818967756
                3p
                   -1 :              -0.00007315979905
                   +0 :              -0.00021222181841
                   +1 :               0.00003412404672
                3d
                   -2 :               0.00000053362069
                   -1 :              -0.00001278411741
                   +0 :              -0.00001696324722
                   +1 :               0.00000207539801
                   +2 :               0.00000161131194
              9 vec=     2.384101    -10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00001197142192
                2s
                   +0 :               0.00009242092194
                3s
                   +0 :              -0.00004465328682
                2p
                   -1 :              -0.00014205488749
                   +0 :              -0.00006468799879
                   +1 :              -0.00011688650496
                3p
                   -1 :               0.00010372025895
                   +0 :               0.00003385289619
                   +1 :               0.00010923604099
                3d
                   -2 :              -0.00000573803192
                   -1 :              -0.00000735367690
                   +0 :               0.00000165265029
                   +1 :              -0.00000677925333
                   +2 :               0.00000338523343
             10 vec=     2.384101    -10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00002169501812
                2s
                   +0 :               0.00015945498228
                3s
                   +0 :              -0.00006377114157
                2p
                   -1 :              -0.00009872272262
                   +0 :               0.00014422424450
                   +1 :               0.00000278531160
                3p
                   -1 :               0.00008252343539
                   +0 :              -0.00006702118998
                   +1 :              -0.00001893174180
                3d
                   -2 :               0.00000466243687
                   -1 :               0.00000089780504
                   +0 :               0.00000566415663
                   +1 :              -0.00000837429180
                   +2 :              -0.00000284511359
             11 vec=    10.164264      3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000009038079
                2s
                   +0 :               0.00001107784647
                3s
                   +0 :               0.00000407886268
                2p
                   -1 :               0.00023186912824
                   +0 :               0.00014265041058
                   +1 :              -0.00008444690678
                3p
                   -1 :              -0.00020594106742
                   +0 :              -0.00018502552008
                   +1 :               0.00008683078081
                3d
                   -2 :              -0.00001124278954
                   -1 :               0.00002344427964
                   +0 :               0.00000948738233
                   +1 :              -0.00000703050699
                   +2 :               0.00001261767360
             12 vec=    10.164264      3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001297281822
                2s
                   +0 :               0.00013334043467
                3s
                   +0 :              -0.00002092758279
                2p
                   -1 :               0.00006174769045
                   +0 :               0.00020529814205
                   +1 :              -0.00004872566947
                3p
                   -1 :              -0.00004736500736
                   +0 :              -0.00006391906144
                   +1 :               0.00006316145716
                3d
                   -2 :              -0.00000160063454
                   -1 :               0.00000136864768
                   +0 :               0.00000821229855
                   +1 :               0.00000574849555
                   +2 :               0.00000102329722
             13 vec=    10.164264     -5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001773326428
                2s
                   +0 :               0.00019168387601
                3s
                   +0 :              -0.00005006021178
                2p
                   -1 :              -0.00008370227206
                   +0 :              -0.00016582800600
                   +1 :               0.00017032193575
                3p
                   -1 :               0.00002643451727
                   +0 :               0.00004489486869
                   +1 :              -0.00008603987524
                3d
                   -2 :              -0.00000414756342
                   -1 :               0.00000224457314
                   +0 :              -0.00000196885818
                   +1 :               0.00000191998410
                   +2 :              -0.00000062474447
             14 vec=    10.164264     -5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000903875617
                2s
                   +0 :              -0.00004274133806
                3s
                   +0 :               0.00000790841511
                2p
                   -1 :               0.00005063312139
                   +0 :              -0.00000801788511
                   +1 :               0.00001222075027
                3p
                   -1 :              -0.00004073625223
                   +0 :               0.00001214915908
                   +1 :              -0.00002695100845
                3d
                   -2 :               0.00000488790327
                   -1 :               0.00000296327043
                   +0 :               0.00000111907983
                   +1 :              -0.00000684967929
                   +2 :              -0.00000450199967
WF             site_B          number of pairs
WF( 50)=[O_15_2px]  to site O ( 30)  npairs=  18
              1 vec=     0.000000      3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00011512151952
                2s
                   +0 :              -0.00088708291580
                3s
                   +0 :               0.00044139948845
                2p
                   -1 :               0.00006717194109
                   +0 :               0.00069462029996
                   +1 :               0.00034515059220
                3p
                   -1 :              -0.00010660057448
                   +0 :              -0.00058241026655
                   +1 :              -0.00020499889413
                3d
                   -2 :              -0.00001261838780
                   -1 :               0.00000298460845
                   +0 :               0.00005724731600
                   +1 :               0.00000183155292
                   +2 :               0.00001662958025
              2 vec=     0.000000      3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00001945620110
                2s
                   +0 :               0.00022631287963
                3s
                   +0 :              -0.00004896778738
                2p
                   -1 :              -0.00010574702043
                   +0 :               0.00055455535155
                   +1 :               0.00006992194392
                3p
                   -1 :               0.00015116497469
                   +0 :              -0.00048711938165
                   +1 :              -0.00006612492724
                3d
                   -2 :               0.00002929639691
                   -1 :               0.00001168707679
                   +0 :              -0.00003150553896
                   +1 :              -0.00000747480678
                   +2 :              -0.00000396082987
              3 vec=     0.000000     -5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00004942240205
                2s
                   +0 :              -0.00018094609417
                3s
                   +0 :               0.00015994641019
                2p
                   -1 :               0.00017909654958
                   +0 :               0.00015279364040
                   +1 :              -0.00048600596575
                3p
                   -1 :              -0.00010297866670
                   +0 :              -0.00018700104806
                   +1 :              -0.00005148976834
                3d
                   -2 :               0.00001941946545
                   -1 :               0.00000466430025
                   +0 :               0.00001923415843
                   +1 :               0.00005578592751
                   +2 :              -0.00001079298388
              4 vec=     0.000000     -5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00007039844290
                2s
                   +0 :               0.00028010771331
                3s
                   +0 :              -0.00022694169420
                2p
                   -1 :              -0.00027012128426
                   +0 :               0.00014293987834
                   +1 :              -0.00042145852649
                3p
                   -1 :               0.00016687411204
                   +0 :              -0.00020400560707
                   +1 :              -0.00001479158032
                3d
                   -2 :               0.00000661222972
                   -1 :               0.00001072437579
                   +0 :              -0.00001783548719
                   +1 :              -0.00004594061259
                   +2 :               0.00000134970615
              5 vec=    -7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004035250679
                2s
                   +0 :              -0.00072049600248
                3s
                   +0 :               0.00004140226741
                2p
                   -1 :               0.00024799389651
                   +0 :               0.00035000654146
                   +1 :              -0.00004185307823
                3p
                   -1 :              -0.00009602930744
                   +0 :               0.00012026334149
                   +1 :               0.00022172063039
                3d
                   -2 :              -0.00002941275203
                   -1 :              -0.00000473801983
                   +0 :              -0.00003310772607
                   +1 :              -0.00002689376089
                   +2 :              -0.00001773623175
              6 vec=    -7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000286257465
                2s
                   +0 :              -0.00011798984459
                3s
                   +0 :              -0.00000072437648
                2p
                   -1 :               0.00001139604789
                   +0 :               0.00001217665287
                   +1 :               0.00024920445639
                3p
                   -1 :               0.00010470518681
                   +0 :              -0.00008856807006
                   +1 :              -0.00017400674045
                3d
                   -2 :              -0.00000653941335
                   -1 :               0.00002868447395
                   +0 :               0.00000721623259
                   +1 :              -0.00000873286873
                   +2 :               0.00000827515539
              7 vec=     7.780163     -1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00003834460482
                2s
                   +0 :               0.00036801617732
                3s
                   +0 :              -0.00011497995321
                2p
                   -1 :              -0.00032500919405
                   +0 :              -0.00031555043947
                   +1 :               0.00001558607144
                3p
                   -1 :               0.00016779177076
                   +0 :               0.00013069541948
                   +1 :               0.00004500900468
                3d
                   -2 :              -0.00000906244684
                   -1 :               0.00000003044188
                   +0 :              -0.00001748409621
                   +1 :              -0.00000507917921
                   +2 :               0.00000200513888
              8 vec=     7.780163     -1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00000032879922
                2s
                   +0 :               0.00032872521155
                3s
                   +0 :               0.00002958145455
                2p
                   -1 :              -0.00036242901501
                   +0 :               0.00020669268405
                   +1 :              -0.00005296256576
                3p
                   -1 :               0.00013928463716
                   +0 :               0.00010836521196
                   +1 :               0.00018339240425
                3d
                   -2 :              -0.00001799952972
                   -1 :              -0.00001374843210
                   +0 :               0.00001660090500
                   +1 :               0.00001838126442
                   +2 :               0.00002340937906
              9 vec=    -7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002632552723
                2s
                   +0 :               0.00012831715011
                3s
                   +0 :              -0.00012546481665
                2p
                   -1 :               0.00011677100386
                   +0 :              -0.00016232736037
                   +1 :              -0.00015967002209
                3p
                   -1 :              -0.00014367914886
                   +0 :               0.00022103332194
                   +1 :               0.00015781179303
                3d
                   -2 :               0.00000688503481
                   -1 :               0.00000922882742
                   +0 :              -0.00001468780495
                   +1 :              -0.00001224877302
                   +2 :               0.00000418498079
             10 vec=    -7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000375812190
                2s
                   +0 :              -0.00001487469230
                3s
                   +0 :              -0.00002009933983
                2p
                   -1 :               0.00010217649004
                   +0 :               0.00012061720489
                   +1 :               0.00007187278842
                3p
                   -1 :              -0.00012993731880
                   +0 :              -0.00012839032530
                   +1 :              -0.00002882673729
                3d
                   -2 :              -0.00000113991980
                   -1 :              -0.00000143850660
                   +0 :              -0.00000268659026
                   +1 :              -0.00000671136097
                   +2 :               0.00000701759216
             11 vec=     7.780163      7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000979061448
                2s
                   +0 :              -0.00003121752739
                3s
                   +0 :               0.00003627691810
                2p
                   -1 :              -0.00009085587162
                   +0 :               0.00004912141230
                   +1 :              -0.00000383359251
                3p
                   -1 :               0.00009730631407
                   +0 :              -0.00005688515945
                   +1 :               0.00001145659409
                3d
                   -2 :               0.00000126876842
                   -1 :              -0.00000800656538
                   +0 :               0.00000222832014
                   +1 :               0.00000989045850
                   +2 :              -0.00000530363111
             12 vec=     7.780163      7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000718816519
                2s
                   +0 :               0.00001239736632
                3s
                   +0 :               0.00000224399127
                2p
                   -1 :              -0.00020951783071
                   +0 :               0.00000106979325
                   +1 :              -0.00016257538626
                3p
                   -1 :               0.00022589562947
                   +0 :               0.00002571444048
                   +1 :               0.00013518436402
                3d
                   -2 :               0.00000266804155
                   -1 :               0.00001624077264
                   +0 :              -0.00001084520288
                   +1 :               0.00000217226188
                   +2 :              -0.00000921590281
             13 vec=     0.000000     12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000389539160
                2s
                   +0 :               0.00003014878096
                3s
                   +0 :              -0.00001315906578
                2p
                   -1 :               0.00001374865495
                   +0 :               0.00000037574413
                   +1 :              -0.00006197782072
                3p
                   -1 :              -0.00000534788907
                   +0 :              -0.00001607312665
                   +1 :               0.00005739435910
                3d
                   -2 :               0.00000004577788
                   -1 :               0.00000146995901
                   +0 :               0.00000190830262
                   +1 :              -0.00000381907211
                   +2 :              -0.00000073905337
             14 vec=     0.000000     12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000012024884
                2s
                   +0 :               0.00001061803019
                3s
                   +0 :               0.00000041032064
                2p
                   -1 :              -0.00004467548138
                   +0 :              -0.00000976994147
                   +1 :              -0.00000435639067
                3p
                   -1 :               0.00003149896665
                   +0 :               0.00001866969841
                   +1 :               0.00001908593291
                3d
                   -2 :               0.00000069464714
                   -1 :              -0.00000042717004
                   +0 :               0.00000667621663
                   +1 :               0.00000563614169
                   +2 :              -0.00000158216904
             15 vec=    -7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001166039907
                2s
                   +0 :               0.00005088040792
                3s
                   +0 :              -0.00004706889100
                2p
                   -1 :               0.00003635953914
                   +0 :              -0.00002425550960
                   +1 :               0.00006611718583
                3p
                   -1 :              -0.00001009357806
                   +0 :               0.00001877966749
                   +1 :              -0.00004356461628
                3d
                   -2 :               0.00000403839169
                   -1 :               0.00000063179037
                   +0 :              -0.00000339859377
                   +1 :               0.00000395643932
                   +2 :              -0.00000050803353
             16 vec=    -7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001468578537
                2s
                   +0 :              -0.00011233342717
                3s
                   +0 :               0.00004226204390
                2p
                   -1 :               0.00014560892091
                   +0 :              -0.00001582113533
                   +1 :               0.00002018828237
                3p
                   -1 :              -0.00010685557784
                   +0 :              -0.00001904223066
                   +1 :              -0.00000788409019
                3d
                   -2 :               0.00000059659443
                   -1 :              -0.00000408255750
                   +0 :               0.00000134231061
                   +1 :               0.00000326896978
                   +2 :              -0.00000574140966
             17 vec=     7.780163     -9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000976687692
                2s
                   +0 :              -0.00005666858399
                3s
                   +0 :               0.00003578979704
                2p
                   -1 :               0.00003513173255
                   +0 :               0.00009567268150
                   +1 :              -0.00001961285379
                3p
                   -1 :              -0.00003335151147
                   +0 :              -0.00007248065079
                   +1 :              -0.00000615153324
                3d
                   -2 :              -0.00000537541277
                   -1 :               0.00000710204508
                   +0 :               0.00000529811067
                   +1 :              -0.00000208800334
                   +2 :              -0.00000019336591
             18 vec=     7.780163     -9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000398699542
                2s
                   +0 :              -0.00000312430667
                3s
                   +0 :               0.00001469126429
                2p
                   -1 :              -0.00003526519156
                   +0 :               0.00001538650133
                   +1 :               0.00005924612638
                3p
                   -1 :               0.00003504404994
                   +0 :              -0.00000084313458
                   +1 :              -0.00002968826593
                3d
                   -2 :               0.00000111420512
                   -1 :               0.00000064968050
                   +0 :               0.00000094408807
                   +1 :               0.00000011431989
                   +2 :               0.00000015161293
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al(  1)  npairs=  14
              1 vec=    -0.209286      3.115418     -1.580534   |vec|=    3.499674
                2s
                   +0 :               0.04517729620984
                2p
                   -1 :               0.04237667390361
                   +0 :              -0.02837949626913
                   +1 :              -0.00171179120945
                3s
                   +0 :               0.10326762503997
                4s
                   +0 :               0.01653622748856
                3p
                   -1 :               0.06548516461897
                   +0 :              -0.05204155299443
                   +1 :              -0.02003706446612
                4p
                   -1 :               0.02360578985986
                   +0 :              -0.01332130218561
                   +1 :               0.00316344585415
                3d
                   -2 :              -0.00785209032586
                   -1 :              -0.05897258461579
                   +0 :               0.00512459735506
                   +1 :               0.00446231238248
                   +2 :              -0.03682620189722
              2 vec=    -0.209286     -5.868340     -1.580534   |vec|=    6.081062
                2s
                   +0 :               0.00434219311270
                2p
                   -1 :              -0.00334998493647
                   +0 :              -0.00144958743758
                   +1 :               0.00035658999525
                3s
                   +0 :              -0.00622346832481
                4s
                   +0 :               0.00617675003668
                3p
                   -1 :               0.01007087762344
                   +0 :               0.00666240598091
                   +1 :              -0.00421335759354
                4p
                   -1 :              -0.00409603584815
                   +0 :              -0.00255448652135
                   +1 :               0.00121804333492
                3d
                   -2 :               0.00186524624981
                   -1 :              -0.00267032425958
                   +0 :               0.00275677776042
                   +1 :               0.00016508665824
                   +2 :               0.00413852981883
              3 vec=     7.570876     -1.376461     -1.580534   |vec|=    7.855629
                2s
                   +0 :               0.00013859130260
                2p
                   -1 :               0.00026495557641
                   +0 :               0.00071146661560
                   +1 :               0.00025720818920
                3s
                   +0 :               0.00194309516336
                4s
                   +0 :               0.00008744627118
                3p
                   -1 :              -0.00060998829336
                   +0 :              -0.00433968184107
                   +1 :               0.00218440194759
                4p
                   -1 :              -0.00004696428644
                   +0 :               0.00078702185574
                   +1 :               0.00019499891450
                3d
                   -2 :              -0.00014613691091
                   -1 :               0.00031115110708
                   +0 :              -0.00042159042574
                   +1 :              -0.00203324037829
                   +2 :               0.00095863230484
              4 vec=    -7.989449     -1.376461     -1.580534   |vec|=    8.259784
                2s
                   +0 :               0.00032999334656
                2p
                   -1 :              -0.00050596094480
                   +0 :              -0.00047891003925
                   +1 :               0.00005767689556
                3s
                   +0 :              -0.00026807489566
                4s
                   +0 :               0.00082956725930
                3p
                   -1 :               0.00229443935632
                   +0 :               0.00184336700416
                   +1 :              -0.00178794669168
                4p
                   -1 :              -0.00092448702119
                   +0 :              -0.00061346049469
                   +1 :              -0.00020191948547
                3d
                   -2 :               0.00009141309781
                   -1 :              -0.00044594876393
                   +0 :              -0.00036500430975
                   +1 :               0.00072602116546
                   +2 :               0.00119880097443
              5 vec=     7.570876      7.607297     -1.580534   |vec|=   10.848374
                2s
                   +0 :              -0.00043301302595
                2p
                   -1 :              -0.00053579195152
                   +0 :              -0.00020748398068
                   +1 :              -0.00013286572571
                3s
                   +0 :               0.00127775280262
                4s
                   +0 :              -0.00032052950157
                3p
                   -1 :               0.00194689695215
                   +0 :               0.00063461313653
                   +1 :               0.00081766770812
                4p
                   -1 :              -0.00052024990810
                   +0 :              -0.00002800877474
                   +1 :               0.00000843509293
                3d
                   -2 :               0.00077922250348
                   -1 :               0.00008508249756
                   +0 :              -0.00013882704163
                   +1 :              -0.00021688361669
                   +2 :              -0.00066097902077
              6 vec=    -7.989449      7.607297     -1.580534   |vec|=   11.144521
                2s
                   +0 :               0.00013929791204
                2p
                   -1 :               0.00012127947596
                   +0 :               0.00018617823804
                   +1 :               0.00018271536042
                3s
                   +0 :               0.00014356752035
                4s
                   +0 :              -0.00070915483266
                3p
                   -1 :              -0.00046121366700
                   +0 :              -0.00085770847871
                   +1 :              -0.00174076911286
                4p
                   -1 :              -0.00013908114121
                   +0 :               0.00021603388769
                   +1 :               0.00059504682883
                3d
                   -2 :               0.00004960638405
                   -1 :              -0.00003103070220
                   +0 :              -0.00028964965047
                   +1 :               0.00059067074993
                   +2 :               0.00098788023581
              7 vec=    -0.209286     12.099176     -1.580534   |vec|=   12.203767
                2s
                   +0 :              -0.00011089118164
                2p
                   -1 :              -0.00008528576522
                   +0 :               0.00004822812404
                   +1 :               0.00014768792111
                3s
                   +0 :               0.00083024063198
                4s
                   +0 :              -0.00001107139582
                3p
                   -1 :               0.00085589719724
                   +0 :              -0.00056201402430
                   +1 :              -0.00074745055508
                4p
                   -1 :              -0.00014906329010
                   +0 :              -0.00002075083621
                   +1 :               0.00034372251359
                3d
                   -2 :              -0.00006595444291
                   -1 :              -0.00011525409939
                   +0 :              -0.00009147105727
                   +1 :              -0.00009093437319
                   +2 :              -0.00013263054754
              8 vec=     7.570876    -10.360219     -1.580534   |vec|=   12.928666
                2s
                   +0 :               0.00008028640594
                2p
                   -1 :               0.00005182740062
                   +0 :               0.00017788029236
                   +1 :              -0.00015547649110
                3s
                   +0 :              -0.00202652911373
                4s
                   +0 :               0.00020453493826
                3p
                   -1 :              -0.00032732798374
                   +0 :               0.00053991316050
                   +1 :              -0.00076672281434
                4p
                   -1 :               0.00000607083535
                   +0 :               0.00006085728925
                   +1 :              -0.00012039057469
                3d
                   -2 :              -0.00019876116849
                   -1 :               0.00010695142450
                   +0 :              -0.00028104237373
                   +1 :               0.00052444545312
                   +2 :              -0.00043696326907
              9 vec=    -7.989449    -10.360219     -1.580534   |vec|=   13.178146
                2s
                   +0 :              -0.00007257698540
                2p
                   -1 :              -0.00003768032564
                   +0 :              -0.00004899883398
                   +1 :               0.00013395146961
                3s
                   +0 :              -0.00167263300000
                4s
                   +0 :              -0.00004801436479
                3p
                   -1 :               0.00051788521567
                   +0 :               0.00174544388944
                   +1 :               0.00075567680699
                4p
                   -1 :               0.00000859704328
                   +0 :              -0.00023875395220
                   +1 :               0.00012989918682
                3d
                   -2 :              -0.00021707116430
                   -1 :              -0.00034044818086
                   +0 :              -0.00017148901951
                   +1 :              -0.00060191336355
                   +2 :              -0.00024155321914
             10 vec=    -0.209286    -14.852098     -1.580534   |vec|=   14.937427
                2s
                   +0 :               0.00014331543923
                2p
                   -1 :              -0.00002572446243
                   +0 :               0.00000730886867
                   +1 :               0.00001976358091
                3s
                   +0 :              -0.00086653385415
                4s
                   +0 :               0.00021064994583
                3p
                   -1 :               0.00029183149212
                   +0 :               0.00017649945502
                   +1 :               0.00002493684732
                4p
                   -1 :              -0.00007429474260
                   +0 :               0.00002640485976
                   +1 :              -0.00002532697052
                3d
                   -2 :              -0.00001751943499
                   -1 :               0.00002223153223
                   +0 :              -0.00004984144054
                   +1 :               0.00000996457818
                   +2 :              -0.00003816516474
             11 vec=    15.351039      3.115418     -1.580534   |vec|=   15.743516
                2s
                   +0 :               0.00003083964252
                2p
                   -1 :              -0.00002055724140
                   +0 :              -0.00000528273783
                   +1 :               0.00003993736289
                3s
                   +0 :              -0.00009291276400
                4s
                   +0 :               0.00005336018926
                3p
                   -1 :               0.00006414087777
                   +0 :               0.00001685435568
                   +1 :              -0.00015133716601
                4p
                   -1 :              -0.00001018916582
                   +0 :              -0.00000334127708
                   +1 :               0.00003496380816
                3d
                   -2 :               0.00000910452611
                   -1 :               0.00001313053293
                   +0 :               0.00000534061929
                   +1 :               0.00003663307107
                   +2 :              -0.00000247052740
             12 vec=   -15.769612      3.115418     -1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00002876263605
                2p
                   -1 :               0.00001529177723
                   +0 :              -0.00000338097299
                   +1 :               0.00000427856735
                3s
                   +0 :               0.00024767657029
                4s
                   +0 :              -0.00006648378551
                3p
                   -1 :              -0.00016399911821
                   +0 :              -0.00006135978936
                   +1 :              -0.00008214971333
                4p
                   -1 :               0.00001908291541
                   +0 :               0.00002160698521
                   +1 :               0.00003507598046
                3d
                   -2 :               0.00004791350804
                   -1 :               0.00005385210152
                   +0 :               0.00004344210283
                   +1 :               0.00000430143046
                   +2 :              -0.00002108851917
             13 vec=    15.351039     -5.868340     -1.580534   |vec|=   16.510297
                2s
                   +0 :               0.00004668469390
                2p
                   -1 :              -0.00002450154317
                   +0 :              -0.00002144670571
                   +1 :               0.00000549578178
                3s
                   +0 :              -0.00037725516596
                4s
                   +0 :               0.00003259738457
                3p
                   -1 :               0.00019444118346
                   +0 :               0.00022096697353
                   +1 :              -0.00013098022612
                4p
                   -1 :              -0.00001902503535
                   +0 :              -0.00001919600655
                   +1 :               0.00000600978491
                3d
                   -2 :               0.00004368978042
                   -1 :              -0.00009653149963
                   +0 :              -0.00001178916959
                   +1 :               0.00005531389345
                   +2 :               0.00001475145703
             14 vec=   -15.769612     -5.868340     -1.580534   |vec|=   16.900182
                2s
                   +0 :               0.00000609453846
                2p
                   -1 :              -0.00001971989411
                   +0 :              -0.00000125171467
                   +1 :               0.00001480523436
                3s
                   +0 :              -0.00012770853055
                4s
                   +0 :               0.00003787627919
                3p
                   -1 :               0.00014928524360
                   +0 :               0.00006902371842
                   +1 :              -0.00004298046997
                4p
                   -1 :              -0.00003258955761
                   +0 :              -0.00001670282901
                   +1 :               0.00000337030429
                3d
                   -2 :              -0.00001817407252
                   -1 :              -0.00005400028957
                   +0 :              -0.00000458710407
                   +1 :              -0.00000299167187
                   +2 :               0.00004729986741
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al(  2)  npairs=  14
              1 vec=    -0.209286      3.115418      5.671791   |vec|=    6.474477
                2s
                   +0 :              -0.00237420002079
                2p
                   -1 :              -0.00073308210521
                   +0 :              -0.00186423664372
                   +1 :               0.00034658788817
                3s
                   +0 :               0.00658377477658
                4s
                   +0 :              -0.00432603177886
                3p
                   -1 :               0.00298169462769
                   +0 :               0.01287913368059
                   +1 :              -0.00126036552479
                4p
                   -1 :              -0.00079702398238
                   +0 :              -0.00540550807906
                   +1 :               0.00013743746530
                3d
                   -2 :              -0.00043031514151
                   -1 :               0.00168242004066
                   +0 :               0.00353325076018
                   +1 :               0.00032470256977
                   +2 :              -0.00173479567528
              2 vec=    -0.209286     -5.868340      5.671791   |vec|=    8.163972
                2s
                   +0 :              -0.00030149441901
                2p
                   -1 :               0.00007535600739
                   +0 :               0.00055118919070
                   +1 :              -0.00015778758948
                3s
                   +0 :              -0.00503378424706
                4s
                   +0 :              -0.00019117697871
                3p
                   -1 :               0.00343468664867
                   +0 :              -0.00086362195052
                   +1 :               0.00028052748979
                4p
                   -1 :               0.00038023501607
                   +0 :               0.00060988296864
                   +1 :               0.00006449294293
                3d
                   -2 :               0.00049775409827
                   -1 :              -0.00049036906963
                   +0 :               0.00191709986852
                   +1 :              -0.00000805423578
                   +2 :               0.00176241964365
              3 vec=     7.570876     -1.376461      5.671791   |vec|=    9.559395
                2s
                   +0 :               0.00041180842733
                2p
                   -1 :               0.00002861592829
                   +0 :               0.00024574520145
                   +1 :               0.00084040572929
                3s
                   +0 :              -0.00201964061142
                4s
                   +0 :               0.00091185202266
                3p
                   -1 :               0.00117124624302
                   +0 :              -0.00088269783380
                   +1 :              -0.00459195417451
                4p
                   -1 :              -0.00062926600826
                   +0 :               0.00017820344263
                   +1 :               0.00129571392366
                3d
                   -2 :               0.00000182174144
                   -1 :               0.00027411877713
                   +0 :               0.00013330176178
                   +1 :              -0.00063274184526
                   +2 :              -0.00062105161005
              4 vec=    -7.989449     -1.376461      5.671791   |vec|=    9.894198
                2s
                   +0 :              -0.00009482959009
                2p
                   -1 :              -0.00064593913244
                   +0 :               0.00042215945868
                   +1 :              -0.00002966004394
                3s
                   +0 :              -0.00005784851877
                4s
                   +0 :               0.00025603078359
                3p
                   -1 :               0.00298222520891
                   +0 :              -0.00230211074392
                   +1 :               0.00061360115834
                4p
                   -1 :              -0.00061203518237
                   +0 :               0.00082294179121
                   +1 :              -0.00055127514969
                3d
                   -2 :              -0.00022008743874
                   -1 :               0.00012397776396
                   +0 :              -0.00028814407629
                   +1 :               0.00060099224315
                   +2 :              -0.00017979129967
              5 vec=     7.570876      7.607297      5.671791   |vec|=   12.139125
                2s
                   +0 :               0.00025526451241
                2p
                   -1 :              -0.00000227025747
                   +0 :               0.00003461628976
                   +1 :               0.00022044482266
                3s
                   +0 :              -0.00051639103592
                4s
                   +0 :               0.00018050262781
                3p
                   -1 :               0.00024035104629
                   +0 :              -0.00023847524942
                   +1 :              -0.00088213715291
                4p
                   -1 :              -0.00014288632356
                   +0 :               0.00011923270220
                   +1 :               0.00022979637641
                3d
                   -2 :               0.00000628776163
                   -1 :               0.00001976151631
                   +0 :               0.00002612768022
                   +1 :              -0.00019623436803
                   +2 :              -0.00013782156703
              6 vec=    -7.989449      7.607297      5.671791   |vec|=   12.404494
                2s
                   +0 :               0.00001284667185
                2p
                   -1 :               0.00011925319407
                   +0 :              -0.00002642716366
                   +1 :               0.00011067281327
                3s
                   +0 :               0.00041284607998
                4s
                   +0 :               0.00013201373686
                3p
                   -1 :              -0.00041777453684
                   +0 :               0.00006621697972
                   +1 :              -0.00098638063178
                4p
                   -1 :               0.00021761581716
                   +0 :               0.00003140439864
                   +1 :               0.00008242610010
                3d
                   -2 :              -0.00022454539077
                   -1 :              -0.00004786998080
                   +0 :              -0.00008953841273
                   +1 :              -0.00009458947956
                   +2 :               0.00017340288928
              7 vec=    -0.209286     12.099176      5.671791   |vec|=   13.364246
                2s
                   +0 :               0.00020698643052
                2p
                   -1 :               0.00002366322510
                   +0 :              -0.00001417700174
                   +1 :              -0.00003813389245
                3s
                   +0 :              -0.00067348117619
                4s
                   +0 :               0.00022835738746
                3p
                   -1 :              -0.00027902177435
                   +0 :               0.00002110171141
                   +1 :               0.00020778848353
                4p
                   -1 :               0.00013445454826
                   +0 :              -0.00004328953066
                   +1 :              -0.00004054527054
                3d
                   -2 :              -0.00000174163504
                   -1 :               0.00002194541018
                   +0 :               0.00010449064919
                   +1 :              -0.00011859933573
                   +2 :              -0.00009274509576
              8 vec=     7.570876    -10.360219      5.671791   |vec|=   14.029310
                2s
                   +0 :              -0.00000137272726
                2p
                   -1 :               0.00003276315406
                   +0 :              -0.00000612360449
                   +1 :              -0.00009996975646
                3s
                   +0 :              -0.00030138399049
                4s
                   +0 :               0.00010243249497
                3p
                   -1 :               0.00010905237595
                   +0 :              -0.00002754088028
                   +1 :               0.00050770555676
                4p
                   -1 :              -0.00003046169997
                   +0 :               0.00002043138219
                   +1 :              -0.00012447885262
                3d
                   -2 :              -0.00008537761643
                   -1 :              -0.00004412372410
                   +0 :              -0.00001978366801
                   +1 :               0.00016068407442
                   +2 :               0.00006211260518
              9 vec=    -7.989449    -10.360219      5.671791   |vec|=   14.259546
                2s
                   +0 :               0.00004359312744
                2p
                   -1 :               0.00007869682012
                   +0 :              -0.00004685713802
                   +1 :               0.00004737911547
                3s
                   +0 :              -0.00021454949476
                4s
                   +0 :               0.00007244226283
                3p
                   -1 :              -0.00044237209509
                   +0 :               0.00015094088271
                   +1 :              -0.00017580889487
                4p
                   -1 :               0.00009769459402
                   +0 :               0.00000608080577
                   +1 :               0.00001648922769
                3d
                   -2 :               0.00012336351497
                   -1 :              -0.00004783578431
                   +0 :              -0.00007318694772
                   +1 :              -0.00016124372375
                   +2 :              -0.00011777466106
             10 vec=    -0.209286    -14.852098      5.671791   |vec|=   15.899618
                2s
                   +0 :              -0.00017657434677
                2p
                   -1 :               0.00014287885491
                   +0 :              -0.00000518610497
                   +1 :              -0.00001430362731
                3s
                   +0 :               0.00050843725873
                4s
                   +0 :              -0.00017561482210
                3p
                   -1 :              -0.00069209114105
                   +0 :              -0.00010160280230
                   +1 :               0.00007445835294
                4p
                   -1 :               0.00016180699024
                   +0 :               0.00007226231188
                   +1 :              -0.00002975901932
                3d
                   -2 :              -0.00003285371110
                   -1 :              -0.00005511307410
                   +0 :              -0.00008093840063
                   +1 :               0.00000350942839
                   +2 :              -0.00014026059627
             11 vec=    15.351039      3.115418      5.671791   |vec|=   16.659215
                2s
                   +0 :               0.00001431075633
                2p
                   -1 :              -0.00002056820192
                   +0 :              -0.00003660075541
                   +1 :              -0.00002951582107
                3s
                   +0 :               0.00003016065809
                4s
                   +0 :               0.00002214828148
                3p
                   -1 :               0.00015229941211
                   +0 :               0.00019773031757
                   +1 :               0.00017546585909
                4p
                   -1 :              -0.00003854835490
                   +0 :              -0.00003535286568
                   +1 :              -0.00002381371668
                3d
                   -2 :               0.00005135314411
                   -1 :               0.00001566558956
                   +0 :              -0.00000775441411
                   +1 :               0.00005845015757
                   +2 :               0.00003973770082
             12 vec=   -15.769612      3.115418      5.671791   |vec|=   17.045694
                2s
                   +0 :              -0.00003616827243
                2p
                   -1 :               0.00001856865030
                   +0 :              -0.00001332141917
                   +1 :               0.00003096857689
                3s
                   +0 :               0.00022473124646
                4s
                   +0 :              -0.00004625991370
                3p
                   -1 :              -0.00008570960290
                   +0 :               0.00011076192201
                   +1 :              -0.00020948059954
                4p
                   -1 :               0.00004581752869
                   +0 :              -0.00002269595445
                   +1 :               0.00004876222433
                3d
                   -2 :              -0.00003396932551
                   -1 :               0.00001693674591
                   +0 :               0.00001787775914
                   +1 :              -0.00005271414187
                   +2 :               0.00001605980210
             13 vec=    15.351039     -5.868340      5.671791   |vec|=   17.385656
                2s
                   +0 :              -0.00001101838654
                2p
                   -1 :              -0.00001866158637
                   +0 :               0.00001076115087
                   +1 :              -0.00000043418636
                3s
                   +0 :              -0.00005572056204
                4s
                   +0 :               0.00004617106000
                3p
                   -1 :               0.00010469397358
                   +0 :              -0.00007142899114
                   +1 :              -0.00004396710084
                4p
                   -1 :              -0.00004971293941
                   +0 :               0.00002131018943
                   +1 :               0.00002242929625
                3d
                   -2 :               0.00000567482856
                   -1 :               0.00000028636602
                   +0 :              -0.00002032495527
                   +1 :              -0.00000743362767
                   +2 :               0.00000806039472
             14 vec=   -15.769612     -5.868340      5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00000587318127
                2p
                   -1 :              -0.00001405678723
                   +0 :               0.00000922006217
                   +1 :               0.00000736550312
                3s
                   +0 :              -0.00007806830415
                4s
                   +0 :               0.00004415997230
                3p
                   -1 :               0.00003811678989
                   +0 :              -0.00002417617719
                   +1 :               0.00005969710435
                4p
                   -1 :              -0.00000053929276
                   +0 :              -0.00000746212067
                   +1 :              -0.00003448300644
                3d
                   -2 :               0.00000787788119
                   -1 :               0.00001687404585
                   +0 :               0.00000513000029
                   +1 :              -0.00000906261590
                   +2 :               0.00000292313365
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Cr(  3)  npairs=  13
              1 vec=    -0.209286      3.115418     -6.601980   |vec|=    7.303134
                3s
                   +0 :               0.00150761338170
                3p
                   -1 :              -0.00005601321616
                   +0 :              -0.00238815737419
                   +1 :              -0.00007474695443
                4s
                   +0 :              -0.00212594124384
                5s
                   +0 :               0.00077667081453
                3d
                   -2 :              -0.00024527253285
                   -1 :               0.00085973342061
                   +0 :               0.00316250565386
                   +1 :               0.00090470190744
                   +2 :              -0.00107440443359
                4d
                   -2 :               0.00085090813467
                   -1 :              -0.00096872530903
                   +0 :              -0.00020226448470
                   +1 :              -0.00030752349172
                   +2 :               0.00041024332053
                4p
                   -1 :               0.00032964004925
                   +0 :              -0.00018488585441
                   +1 :              -0.00018889954203
              2 vec=    -0.209286     -5.868340     -6.601980   |vec|=    8.835573
                3s
                   +0 :              -0.00087672763327
                3p
                   -1 :              -0.00037792713267
                   +0 :              -0.00007600990183
                   +1 :              -0.00007285733219
                4s
                   +0 :               0.00869481050689
                5s
                   +0 :              -0.00031423335706
                3d
                   -2 :               0.00011836098451
                   -1 :               0.00243609970003
                   +0 :              -0.00137216198848
                   +1 :              -0.00050089422862
                   +2 :              -0.00264681218367
                4d
                   -2 :              -0.00041737854090
                   -1 :               0.00144391422319
                   +0 :               0.00060510409150
                   +1 :               0.00017188223447
                   +2 :              -0.00099139032019
                4p
                   -1 :              -0.00248693573740
                   +0 :              -0.00366312219250
                   +1 :               0.00010883566191
              3 vec=     7.570876     -1.376461     -6.601980   |vec|=   10.138982
                3s
                   +0 :              -0.00129865328405
                3p
                   -1 :               0.00029230883340
                   +0 :               0.00022707906279
                   +1 :              -0.00047231182799
                4s
                   +0 :               0.00359903599959
                5s
                   +0 :              -0.00075707470414
                3d
                   -2 :               0.00035947698793
                   -1 :              -0.00048405299398
                   +0 :              -0.00008849943989
                   +1 :               0.00016411741852
                   +2 :              -0.00077990587026
                4d
                   -2 :               0.00011955691243
                   -1 :               0.00005434412054
                   +0 :              -0.00028099207062
                   +1 :              -0.00112910805639
                   +2 :               0.00103702376889
                4p
                   -1 :              -0.00058542751561
                   +0 :              -0.00099952075559
                   +1 :               0.00111253625285
              4 vec=    -7.989449     -1.376461     -6.601980   |vec|=   10.455242
                3s
                   +0 :              -0.00049447152127
                3p
                   -1 :               0.00001595974223
                   +0 :              -0.00022248320167
                   +1 :               0.00026499203145
                4s
                   +0 :               0.00137199121972
                5s
                   +0 :              -0.00022953603140
                3d
                   -2 :              -0.00039468793592
                   -1 :               0.00010289706229
                   +0 :              -0.00003475678692
                   +1 :               0.00035025227179
                   +2 :              -0.00035842322939
                4d
                   -2 :              -0.00014706270101
                   -1 :              -0.00063432296996
                   +0 :              -0.00024229403370
                   +1 :               0.00045669561370
                   +2 :               0.00047425151035
                4p
                   -1 :               0.00003981428663
                   +0 :               0.00000144278517
                   +1 :              -0.00070191964807
              5 vec=     7.570876      7.607297     -6.601980   |vec|=   12.600606
                3s
                   +0 :              -0.00021456240577
                3p
                   -1 :              -0.00014651595020
                   +0 :              -0.00000843083651
                   +1 :              -0.00024168392997
                4s
                   +0 :              -0.00021181409768
                5s
                   +0 :               0.00008669795393
                3d
                   -2 :              -0.00071811847274
                   -1 :               0.00034806466579
                   +0 :               0.00036533989629
                   +1 :               0.00030600771697
                   +2 :              -0.00006560921754
                4d
                   -2 :               0.00002299385491
                   -1 :               0.00000312502642
                   +0 :              -0.00015596034729
                   +1 :               0.00014154171776
                   +2 :               0.00001783944370
                4p
                   -1 :               0.00013584295452
                   +0 :               0.00036268893607
                   +1 :               0.00015898163755
              6 vec=    -7.989449      7.607297     -6.601980   |vec|=   12.856453
                3s
                   +0 :               0.00012764456578
                3p
                   -1 :              -0.00008318553362
                   +0 :               0.00023550607414
                   +1 :               0.00008834712946
                4s
                   +0 :              -0.00071694779425
                5s
                   +0 :              -0.00000854875337
                3d
                   -2 :               0.00049646785879
                   -1 :               0.00029170240943
                   +0 :               0.00011082321698
                   +1 :              -0.00056043176908
                   +2 :              -0.00017018872368
                4d
                   -2 :               0.00004660790427
                   -1 :              -0.00012090701642
                   +0 :               0.00007131015540
                   +1 :               0.00012704508196
                   +2 :              -0.00004715580758
                4p
                   -1 :              -0.00000393347556
                   +0 :              -0.00007200848446
                   +1 :               0.00011615426614
              7 vec=    -0.209286     12.099176     -6.601980   |vec|=   13.784774
                3s
                   +0 :              -0.00011272821068
                3p
                   -1 :              -0.00011258593830
                   +0 :               0.00013926410726
                   +1 :              -0.00025971876784
                4s
                   +0 :              -0.00027002201660
                5s
                   +0 :               0.00022975731082
                3d
                   -2 :              -0.00002671079878
                   -1 :              -0.00006371861262
                   +0 :              -0.00015213682395
                   +1 :              -0.00001495667741
                   +2 :              -0.00019518576729
                4d
                   -2 :              -0.00008100701012
                   -1 :               0.00004029680114
                   +0 :               0.00013175661125
                   +1 :              -0.00000934896973
                   +2 :               0.00016823554877
                4p
                   -1 :              -0.00002272845010
                   +0 :              -0.00021890302567
                   +1 :               0.00036756970399
              8 vec=     7.570876    -10.360219     -6.601980   |vec|=   14.430470
                3s
                   +0 :              -0.00022256947223
                3p
                   -1 :               0.00010232753301
                   +0 :               0.00019485441146
                   +1 :               0.00001507504108
                4s
                   +0 :               0.00057349163452
                5s
                   +0 :              -0.00003464375315
                3d
                   -2 :               0.00019390299345
                   -1 :              -0.00004613336382
                   +0 :              -0.00008069218466
                   +1 :               0.00004589319384
                   +2 :               0.00008811289221
                4d
                   -2 :               0.00006978700071
                   -1 :               0.00017541397935
                   +0 :               0.00007080230465
                   +1 :              -0.00004626362928
                   +2 :              -0.00006681604711
                4p
                   -1 :              -0.00019617026134
                   +0 :              -0.00040381213334
                   +1 :              -0.00002226519091
              9 vec=    -7.989449    -10.360219     -6.601980   |vec|=   14.654405
                3s
                   +0 :               0.00018714663840
                3p
                   -1 :              -0.00008390569795
                   +0 :              -0.00004654588852
                   +1 :              -0.00000094106796
                4s
                   +0 :              -0.00025092723856
                5s
                   +0 :              -0.00002478373744
                3d
                   -2 :              -0.00020536448923
                   -1 :               0.00002051527994
                   +0 :              -0.00006185921341
                   +1 :              -0.00003898030800
                   +2 :               0.00000875680620
                4d
                   -2 :               0.00002668996266
                   -1 :              -0.00007742300186
                   +0 :               0.00005570274559
                   +1 :               0.00003155017193
                   +2 :               0.00004822102920
                4p
                   -1 :               0.00019539825535
                   +0 :               0.00007229662189
                   +1 :              -0.00001677508975
             10 vec=    -0.209286    -14.852098     -6.601980   |vec|=   16.254684
                3s
                   +0 :              -0.00019990052155
                3p
                   -1 :               0.00011707138664
                   +0 :               0.00007371814379
                   +1 :              -0.00003002994741
                4s
                   +0 :               0.00027556621764
                5s
                   +0 :               0.00000724624003
                3d
                   -2 :               0.00005660593473
                   -1 :               0.00010646463458
                   +0 :               0.00007793963159
                   +1 :              -0.00000770589206
                   +2 :              -0.00008425008360
                4d
                   -2 :              -0.00003308795940
                   -1 :               0.00010555943366
                   +0 :               0.00000139831756
                   +1 :              -0.00001015518078
                   +2 :              -0.00002254299237
                4p
                   -1 :              -0.00012843611999
                   +0 :              -0.00018377181994
                   +1 :               0.00001769770437
             11 vec=    15.351039      3.115418     -6.601980   |vec|=   16.998422
                3s
                   +0 :              -0.00002168494294
                3p
                   -1 :               0.00000616187924
                   +0 :               0.00000682086473
                   +1 :              -0.00000669387041
                4s
                   +0 :               0.00000497728478
                5s
                   +0 :               0.00001369633289
                3d
                   -2 :              -0.00001669009096
                   -1 :               0.00002950459004
                   +0 :              -0.00000294524448
                   +1 :               0.00001173231382
                   +2 :               0.00002700379893
                4d
                   -2 :               0.00001648325983
                   -1 :               0.00001835712617
                   +0 :              -0.00000057274228
                   +1 :              -0.00001320091626
                   +2 :              -0.00000042274847
                4p
                   -1 :              -0.00000825946705
                   +0 :              -0.00000863941537
                   +1 :               0.00000848795939
             12 vec=   -15.769612      3.115418     -6.601980   |vec|=   17.377359
                3s
                   +0 :               0.00005198575620
                3p
                   -1 :               0.00001703565901
                   +0 :              -0.00003664883534
                   +1 :              -0.00000325511622
                4s
                   +0 :              -0.00014961593673
                5s
                   +0 :               0.00001800220322
                3d
                   -2 :              -0.00001601320905
                   -1 :               0.00004813400595
                   +0 :               0.00001028537884
                   +1 :               0.00005383520036
                   +2 :              -0.00000627158767
                4d
                   -2 :               0.00003277809922
                   -1 :               0.00001208079109
                   +0 :              -0.00001488230341
                   +1 :              -0.00005274743829
                   +2 :               0.00002627715811
                4p
                   -1 :              -0.00002500155731
                   +0 :               0.00008572110539
                   +1 :               0.00001633072389
             13 vec=    15.351039     -5.868340     -6.601980   |vec|=   17.710956
                3s
                   +0 :               0.00003034170214
                3p
                   -1 :              -0.00000474086132
                   +0 :              -0.00003106563311
                   +1 :               0.00002950611307
                4s
                   +0 :               0.00002084776824
                5s
                   +0 :              -0.00002229027157
                3d
                   -2 :               0.00005319219065
                   -1 :              -0.00004643130498
                   +0 :              -0.00000468686282
                   +1 :              -0.00007117409143
                   +2 :               0.00001329858192
                4d
                   -2 :              -0.00001709270704
                   -1 :              -0.00000981155443
                   +0 :               0.00001433810306
                   +1 :               0.00001138708583
                   +2 :              -0.00002401264818
                4p
                   -1 :              -0.00002276772124
                   +0 :               0.00005039261680
                   +1 :              -0.00004192129605
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al(  4)  npairs=  15
              1 vec=    -0.209286      3.115418     10.693237   |vec|=   11.139791
                2s
                   +0 :               0.00077473173003
                2p
                   -1 :               0.00001781456581
                   +0 :               0.00025383219879
                   +1 :               0.00016329619148
                3s
                   +0 :              -0.00230546713065
                4s
                   +0 :               0.00053262669310
                3p
                   -1 :              -0.00102278055280
                   +0 :              -0.00122249991579
                   +1 :              -0.00076500109325
                4p
                   -1 :               0.00004980964090
                   +0 :               0.00025787848876
                   +1 :               0.00009509106416
                3d
                   -2 :               0.00014503454802
                   -1 :              -0.00038767002935
                   +0 :               0.00031730177342
                   +1 :              -0.00020863688142
                   +2 :               0.00005720046015
              2 vec=    -0.209286     -5.868340     10.693237   |vec|=   12.199448
                2s
                   +0 :              -0.00002432091829
                2p
                   -1 :               0.00003809183076
                   +0 :              -0.00003992273006
                   +1 :              -0.00012997691247
                3s
                   +0 :              -0.00046308372169
                4s
                   +0 :               0.00011536985761
                3p
                   -1 :              -0.00009374804151
                   +0 :               0.00013855637125
                   +1 :               0.00059242477629
                4p
                   -1 :               0.00002343950668
                   +0 :               0.00004173020758
                   +1 :              -0.00024386178713
                3d
                   -2 :               0.00003949650040
                   -1 :              -0.00012610116130
                   +0 :               0.00029687365719
                   +1 :               0.00007764489875
                   +2 :              -0.00027409323180
              3 vec=     7.570876     -1.376461     10.693237   |vec|=   13.174146
                2s
                   +0 :               0.00023275715589
                2p
                   -1 :               0.00004304606387
                   +0 :               0.00015010911679
                   +1 :               0.00027802998551
                3s
                   +0 :               0.00031536327270
                4s
                   +0 :               0.00006298189722
                3p
                   -1 :              -0.00072320519430
                   +0 :               0.00008341154888
                   +1 :              -0.00051616242229
                4p
                   -1 :               0.00018673962552
                   +0 :               0.00009195732087
                   +1 :               0.00017832129827
                3d
                   -2 :              -0.00022159079211
                   -1 :              -0.00016949649756
                   +0 :              -0.00004807673862
                   +1 :              -0.00000930779681
                   +2 :              -0.00006447684384
              4 vec=    -7.989449     -1.376461     10.693237   |vec|=   13.419063
                2s
                   +0 :              -0.00003030242324
                2p
                   -1 :              -0.00019007186910
                   +0 :               0.00006834676390
                   +1 :              -0.00007631696962
                3s
                   +0 :               0.00081490254449
                4s
                   +0 :              -0.00001336077065
                3p
                   -1 :               0.00059177919644
                   +0 :               0.00011132251166
                   +1 :              -0.00035294127065
                4p
                   -1 :              -0.00018677784989
                   +0 :               0.00016435088208
                   +1 :               0.00000723109005
                3d
                   -2 :               0.00011609296864
                   -1 :               0.00012205535185
                   +0 :              -0.00018211155890
                   +1 :              -0.00014771031540
                   +2 :               0.00017872635132
              5 vec=    -0.209286      3.115418    -13.854306   |vec|=   14.201810
                2s
                   +0 :               0.00009072712078
                2p
                   -1 :               0.00001787319530
                   +0 :               0.00003389058924
                   +1 :               0.00002874941066
                3s
                   +0 :              -0.00014325015339
                4s
                   +0 :              -0.00001217158630
                3p
                   -1 :              -0.00009597629976
                   +0 :              -0.00040311553719
                   +1 :              -0.00017361928421
                4p
                   -1 :               0.00004268011626
                   +0 :               0.00016863319020
                   +1 :               0.00007167919967
                3d
                   -2 :              -0.00002682641558
                   -1 :              -0.00004529477693
                   +0 :               0.00011885536376
                   +1 :              -0.00001094012445
                   +2 :              -0.00003233199827
              6 vec=    -0.209286     -5.868340    -13.854306   |vec|=   15.047359
                2s
                   +0 :               0.00000280198212
                2p
                   -1 :              -0.00001487897383
                   +0 :              -0.00004864917704
                   +1 :               0.00000894541990
                3s
                   +0 :               0.00001015930692
                4s
                   +0 :               0.00004369221150
                3p
                   -1 :              -0.00000180932730
                   +0 :               0.00026715790926
                   +1 :              -0.00005034794504
                4p
                   -1 :              -0.00003142537305
                   +0 :              -0.00010948928223
                   +1 :               0.00002072755395
                3d
                   -2 :               0.00001091006708
                   -1 :              -0.00001035676246
                   +0 :              -0.00003010743358
                   +1 :               0.00001437531677
                   +2 :               0.00000121479057
              7 vec=     7.570876      7.607297     10.693237   |vec|=   15.150394
                2s
                   +0 :               0.00007248603321
                2p
                   -1 :               0.00003683705383
                   +0 :               0.00007333772447
                   +1 :               0.00002989859912
                3s
                   +0 :              -0.00039668633460
                4s
                   +0 :               0.00021130709158
                3p
                   -1 :              -0.00021362809910
                   +0 :              -0.00046684956529
                   +1 :              -0.00031940488324
                4p
                   -1 :               0.00006282760752
                   +0 :               0.00012577091386
                   +1 :               0.00011175976449
                3d
                   -2 :              -0.00008634073955
                   -1 :              -0.00005457967196
                   +0 :              -0.00007491288856
                   +1 :              -0.00010040848027
                   +2 :              -0.00003353104029
              8 vec=    -7.989449      7.607297     10.693237   |vec|=   15.363840
                2s
                   +0 :              -0.00008455194315
                2p
                   -1 :              -0.00001083201250
                   +0 :              -0.00000182649214
                   +1 :              -0.00001301166843
                3s
                   +0 :               0.00024587645510
                4s
                   +0 :               0.00001762360203
                3p
                   -1 :              -0.00004337831163
                   +0 :              -0.00001873205272
                   +1 :               0.00019598810531
                4p
                   -1 :               0.00006894765169
                   +0 :               0.00002765255890
                   +1 :              -0.00010006328194
                3d
                   -2 :               0.00006601315126
                   -1 :              -0.00002787725644
                   +0 :               0.00002186085033
                   +1 :               0.00002024456167
                   +2 :              -0.00003181398544
              9 vec=     7.570876     -1.376461    -13.854306   |vec|=   15.847858
                2s
                   +0 :              -0.00005322301024
                2p
                   -1 :              -0.00002524212041
                   +0 :               0.00004241294361
                   +1 :              -0.00000916905978
                3s
                   +0 :              -0.00005953121695
                4s
                   +0 :              -0.00007275128450
                3p
                   -1 :               0.00004997722884
                   +0 :              -0.00020068535770
                   +1 :              -0.00015776920753
                4p
                   -1 :              -0.00003876876806
                   +0 :               0.00004891121632
                   +1 :               0.00000950194592
                3d
                   -2 :              -0.00006573192867
                   -1 :               0.00001027756098
                   +0 :               0.00006181387213
                   +1 :              -0.00001161657941
                   +2 :              -0.00007456634629
             10 vec=    -7.989449     -1.376461    -13.854306   |vec|=   16.052032
                2s
                   +0 :              -0.00009991391243
                2p
                   -1 :               0.00003791845791
                   +0 :               0.00003173934386
                   +1 :               0.00002282560994
                3s
                   +0 :               0.00004463144448
                4s
                   +0 :              -0.00005357036288
                3p
                   -1 :              -0.00029361596298
                   +0 :              -0.00008476822641
                   +1 :               0.00010814167781
                4p
                   -1 :               0.00001308889188
                   +0 :              -0.00001314826176
                   +1 :              -0.00002495851949
                3d
                   -2 :               0.00003083576999
                   -1 :              -0.00000884206825
                   +0 :               0.00005368570104
                   +1 :               0.00004924795541
                   +2 :               0.00000619502377
             11 vec=    -0.209286     12.099176     10.693237   |vec|=   16.148658
                2s
                   +0 :               0.00031089487187
                2p
                   -1 :               0.00013837936054
                   +0 :               0.00012920416655
                   +1 :              -0.00002732490388
                3s
                   +0 :              -0.00099146234796
                4s
                   +0 :               0.00033855047995
                3p
                   -1 :              -0.00059367818542
                   +0 :              -0.00060405848950
                   +1 :               0.00014417083553
                4p
                   -1 :               0.00011481231734
                   +0 :               0.00017605350985
                   +1 :              -0.00003013536683
                3d
                   -2 :               0.00004935064452
                   -1 :              -0.00014101689358
                   +0 :              -0.00005422335497
                   +1 :               0.00000752287553
                   +2 :               0.00002289939328
             12 vec=     7.570876    -10.360219     10.693237   |vec|=   16.703222
                2s
                   +0 :              -0.00000059825790
                2p
                   -1 :               0.00000428885860
                   +0 :              -0.00001666361825
                   +1 :              -0.00001067961798
                3s
                   +0 :              -0.00011908646973
                4s
                   +0 :              -0.00004402641761
                3p
                   -1 :              -0.00001965876508
                   +0 :               0.00000175614622
                   +1 :               0.00000201126691
                4p
                   -1 :               0.00002275683186
                   +0 :              -0.00003836516982
                   +1 :              -0.00002541839982
                3d
                   -2 :               0.00003461297085
                   -1 :               0.00001758932776
                   +0 :               0.00000991457555
                   +1 :               0.00000135673257
                   +2 :              -0.00003337200362
             13 vec=    -7.989449    -10.360219     10.693237   |vec|=   16.897064
                2s
                   +0 :               0.00013180733304
                2p
                   -1 :              -0.00002691672778
                   +0 :               0.00004456045869
                   +1 :              -0.00004955335014
                3s
                   +0 :              -0.00049230984873
                4s
                   +0 :               0.00010439022276
                3p
                   -1 :               0.00010192638599
                   +0 :              -0.00027350103793
                   +1 :               0.00023275659160
                4p
                   -1 :              -0.00000925806045
                   +0 :               0.00004268244533
                   +1 :              -0.00003179769537
                3d
                   -2 :              -0.00003182366873
                   -1 :               0.00002360831363
                   +0 :              -0.00004551732596
                   +1 :               0.00004446871595
                   +2 :               0.00000485681112
             14 vec=     7.570876      7.607297    -13.854306   |vec|=   17.525151
                2s
                   +0 :              -0.00003536746875
                2p
                   -1 :               0.00001180391417
                   +0 :               0.00000580693385
                   +1 :              -0.00004041933919
                3s
                   +0 :               0.00008644859778
                4s
                   +0 :              -0.00002119753589
                3p
                   -1 :              -0.00009206959112
                   +0 :              -0.00003430620040
                   +1 :               0.00019827808267
                4p
                   -1 :               0.00003150636348
                   +0 :               0.00000799064249
                   +1 :              -0.00004155135485
                3d
                   -2 :               0.00000066419083
                   -1 :               0.00001110999806
                   +0 :              -0.00000970526977
                   +1 :              -0.00002263687663
                   +2 :               0.00005686005107
             15 vec=    -7.989449      7.607297    -13.854306   |vec|=   17.709998
                2s
                   +0 :               0.00013798136482
                2p
                   -1 :               0.00005783759197
                   +0 :              -0.00001802238543
                   +1 :              -0.00006603370155
                3s
                   +0 :              -0.00046354794886
                4s
                   +0 :               0.00007371266659
                3p
                   -1 :              -0.00029651459784
                   +0 :               0.00006247462627
                   +1 :               0.00031758602840
                4p
                   -1 :               0.00005480481863
                   +0 :               0.00001318758613
                   +1 :              -0.00003167707535
                3d
                   -2 :               0.00008217263430
                   -1 :               0.00002502545122
                   +0 :               0.00003182533562
                   +1 :              -0.00005950398273
                   +2 :              -0.00002552503608
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al(  5)  npairs=  13
              1 vec=    -2.802674     -1.376461      6.601898   |vec|=    7.303060
                2s
                   +0 :              -0.00181922026518
                2p
                   -1 :               0.00046974523379
                   +0 :              -0.00024464235859
                   +1 :               0.00018485810531
                3s
                   +0 :               0.00621752966822
                4s
                   +0 :              -0.00168240666632
                3p
                   -1 :              -0.00607173962944
                   +0 :               0.00309148111695
                   +1 :               0.00317732941361
                4p
                   -1 :               0.00009145270820
                   +0 :              -0.00024169976377
                   +1 :              -0.00077082302322
                3d
                   -2 :               0.00055672453308
                   -1 :              -0.00222611011760
                   +0 :               0.00072379445209
                   +1 :               0.00006154262063
                   +2 :              -0.00151583118287
              2 vec=     4.977489      3.115418      6.601898   |vec|=    8.835512
                2s
                   +0 :              -0.00146174631062
                2p
                   -1 :              -0.00075984856810
                   +0 :              -0.00015269231919
                   +1 :               0.00010082803392
                3s
                   +0 :               0.01339987186828
                4s
                   +0 :              -0.00317453142675
                3p
                   -1 :               0.00739029921782
                   +0 :               0.00604142320743
                   +1 :               0.00378427654354
                4p
                   -1 :              -0.00183088018982
                   +0 :              -0.00088170942579
                   +1 :               0.00004432387046
                3d
                   -2 :               0.00212813426384
                   -1 :               0.00170740641715
                   +0 :               0.00045931056599
                   +1 :               0.00152932349863
                   +2 :              -0.00013311320704
              3 vec=     4.977489     -5.868340      6.601898   |vec|=   10.138928
                2s
                   +0 :              -0.00051531388776
                2p
                   -1 :               0.00004286185655
                   +0 :              -0.00045555046833
                   +1 :               0.00009250561010
                3s
                   +0 :               0.00085301179997
                4s
                   +0 :              -0.00021486751577
                3p
                   -1 :              -0.00018128951665
                   +0 :               0.00239804846771
                   +1 :              -0.00137361499991
                4p
                   -1 :              -0.00020268531075
                   +0 :              -0.00044981392413
                   +1 :               0.00026146838771
                3d
                   -2 :               0.00015346512163
                   -1 :              -0.00041248773889
                   +0 :              -0.00003171886405
                   +1 :              -0.00005235910819
                   +2 :              -0.00014975924619
              4 vec=    -2.802674      7.607297      6.601898   |vec|=   10.455190
                2s
                   +0 :              -0.00151693291759
                2p
                   -1 :              -0.00042341850771
                   +0 :              -0.00033637411172
                   +1 :               0.00036291993077
                3s
                   +0 :               0.00627820524085
                4s
                   +0 :              -0.00204182239049
                3p
                   -1 :               0.00274702125523
                   +0 :               0.00249586212875
                   +1 :              -0.00181414575468
                4p
                   -1 :              -0.00067730839491
                   +0 :              -0.00067123437301
                   +1 :               0.00053123005097
                3d
                   -2 :              -0.00059187009176
                   -1 :               0.00030928774443
                   +0 :               0.00025339204439
                   +1 :              -0.00056578837849
                   +2 :              -0.00007208880828
              5 vec=    -2.802674    -10.360219      6.601898   |vec|=   12.600563
                2s
                   +0 :              -0.00040249072623
                2p
                   -1 :               0.00032492530163
                   +0 :              -0.00018796368689
                   +1 :              -0.00003853401520
                3s
                   +0 :               0.00081020397452
                4s
                   +0 :              -0.00038618296386
                3p
                   -1 :              -0.00132869735683
                   +0 :               0.00063011163776
                   +1 :               0.00012760290522
                4p
                   -1 :               0.00040133220379
                   +0 :              -0.00023741170083
                   +1 :              -0.00002772496011
                3d
                   -2 :              -0.00008871539322
                   -1 :              -0.00015471525676
                   +0 :              -0.00004969119671
                   +1 :               0.00006028970644
                   +2 :              -0.00005495593837
              6 vec=   -10.582837      3.115418      6.601898   |vec|=   12.856411
                2s
                   +0 :              -0.00002348692133
                2p
                   -1 :              -0.00001848965580
                   +0 :              -0.00017207856224
                   +1 :               0.00002521724642
                3s
                   +0 :               0.00014650568516
                4s
                   +0 :              -0.00006847995462
                3p
                   -1 :              -0.00003546052863
                   +0 :               0.00080650900934
                   +1 :              -0.00003150492457
                4p
                   -1 :               0.00007743796069
                   +0 :              -0.00018033875946
                   +1 :               0.00000791366674
                3d
                   -2 :               0.00011664576285
                   -1 :               0.00007391066550
                   +0 :               0.00023787674502
                   +1 :              -0.00018903675674
                   +2 :              -0.00000247029628
              7 vec=   -10.582837     -5.868340      6.601898   |vec|=   13.784734
                2s
                   +0 :               0.00000511988614
                2p
                   -1 :               0.00012163521139
                   +0 :               0.00001789202600
                   +1 :              -0.00014996676639
                3s
                   +0 :              -0.00026140742484
                4s
                   +0 :               0.00022254827385
                3p
                   -1 :              -0.00034379115211
                   +0 :              -0.00016447225309
                   +1 :               0.00089158031437
                4p
                   -1 :              -0.00002473020500
                   +0 :               0.00007670709145
                   +1 :              -0.00033414199350
                3d
                   -2 :              -0.00009344173341
                   -1 :              -0.00009652852435
                   +0 :               0.00006959105296
                   +1 :               0.00009387112037
                   +2 :               0.00003504005851
              8 vec=    12.757651     -1.376461      6.601898   |vec|=   14.430432
                2s
                   +0 :              -0.00001142143093
                2p
                   -1 :              -0.00006597759822
                   +0 :               0.00002106440848
                   +1 :               0.00001787165934
                3s
                   +0 :              -0.00021510057834
                4s
                   +0 :               0.00019508386731
                3p
                   -1 :               0.00028394596795
                   +0 :              -0.00020057497125
                   +1 :              -0.00039293777569
                4p
                   -1 :              -0.00009058727479
                   +0 :               0.00007852606014
                   +1 :               0.00021626088222
                3d
                   -2 :               0.00004654508824
                   -1 :               0.00005673638686
                   +0 :               0.00001553629638
                   +1 :               0.00000127406381
                   +2 :              -0.00012496161046
              9 vec=     4.977489     12.099176      6.601898   |vec|=   14.654368
                2s
                   +0 :               0.00013060488015
                2p
                   -1 :               0.00003166931883
                   +0 :               0.00002135182046
                   +1 :               0.00004573992278
                3s
                   +0 :              -0.00019960326200
                4s
                   +0 :              -0.00004463948705
                3p
                   -1 :              -0.00006684126735
                   +0 :               0.00004616533951
                   +1 :              -0.00032136101373
                4p
                   -1 :              -0.00003027880193
                   +0 :              -0.00007014277213
                   +1 :               0.00007881168684
                3d
                   -2 :              -0.00003864020702
                   -1 :              -0.00004438941294
                   +0 :               0.00010022552648
                   +1 :              -0.00004895249630
                   +2 :              -0.00010792118656
             10 vec=    12.757651      7.607297      6.601898   |vec|=   16.254651
                2s
                   +0 :              -0.00010937694171
                2p
                   -1 :              -0.00004373737311
                   +0 :              -0.00001688612617
                   +1 :              -0.00001686271288
                3s
                   +0 :               0.00033840622058
                4s
                   +0 :              -0.00007023246217
                3p
                   -1 :               0.00019711283396
                   +0 :               0.00007611682110
                   +1 :               0.00002323243931
                4p
                   -1 :              -0.00003649540470
                   +0 :              -0.00003254802810
                   +1 :               0.00001934853925
                3d
                   -2 :               0.00004110259236
                   -1 :               0.00000052398648
                   +0 :               0.00001990649279
                   +1 :               0.00000410576285
                   +2 :              -0.00005415418727
             11 vec=     4.977489    -14.852098      6.601898   |vec|=   16.998390
                2s
                   +0 :               0.00010042791740
                2p
                   -1 :              -0.00003655538684
                   +0 :               0.00003147523726
                   +1 :              -0.00000826358497
                3s
                   +0 :              -0.00060131653888
                4s
                   +0 :               0.00013325408027
                3p
                   -1 :               0.00030326404252
                   +0 :              -0.00028971690942
                   +1 :               0.00003787731881
                4p
                   -1 :              -0.00003458033298
                   +0 :               0.00004578172726
                   +1 :              -0.00000278694003
                3d
                   -2 :              -0.00000687022314
                   -1 :               0.00007398332846
                   +0 :              -0.00002548966822
                   +1 :              -0.00000417514517
                   +2 :               0.00004748316587
             12 vec=   -10.582837     12.099176      6.601898   |vec|=   17.377328
                2s
                   +0 :               0.00001296682896
                2p
                   -1 :               0.00002917175994
                   +0 :               0.00001902262832
                   +1 :              -0.00001219035665
                3s
                   +0 :               0.00007981076574
                4s
                   +0 :               0.00000572541479
                3p
                   -1 :              -0.00012233826161
                   +0 :              -0.00004622737343
                   +1 :              -0.00000574714729
                4p
                   -1 :               0.00003785485027
                   +0 :               0.00002254550034
                   +1 :              -0.00000230506012
                3d
                   -2 :              -0.00001914570794
                   -1 :              -0.00001935770864
                   +0 :              -0.00000246107586
                   +1 :               0.00001359651781
                   +2 :               0.00001646155729
             13 vec=    12.757651    -10.360219      6.601898   |vec|=   17.710925
                2s
                   +0 :               0.00002023096745
                2p
                   -1 :               0.00002682598036
                   +0 :               0.00000008888566
                   +1 :               0.00000602323578
                3s
                   +0 :              -0.00009829152904
                4s
                   +0 :               0.00001735590004
                3p
                   -1 :              -0.00012917978682
                   +0 :              -0.00000703382546
                   +1 :               0.00000532028521
                4p
                   -1 :               0.00003232130255
                   +0 :              -0.00000127853286
                   +1 :              -0.00001801989013
                3d
                   -2 :              -0.00000200223767
                   -1 :              -0.00001856891928
                   +0 :              -0.00002123804104
                   +1 :              -0.00000165215686
                   +2 :               0.00001477649621
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al(  6)  npairs=  15
              1 vec=    -2.802674     -1.376461    -10.693319   |vec|=   11.139869
                2s
                   +0 :              -0.00048188253594
                2p
                   -1 :               0.00009643251320
                   +0 :               0.00010944523602
                   +1 :              -0.00017577604284
                3s
                   +0 :               0.00097669060783
                4s
                   +0 :              -0.00025782465624
                3p
                   -1 :              -0.00102150893172
                   +0 :              -0.00004107743023
                   +1 :               0.00071881723155
                4p
                   -1 :               0.00008029705683
                   +0 :              -0.00009065391492
                   +1 :              -0.00023286449231
                3d
                   -2 :              -0.00003971060264
                   -1 :               0.00025871148816
                   +0 :              -0.00041996812281
                   +1 :              -0.00001424722905
                   +2 :               0.00036134095593
              2 vec=     4.977489      3.115418    -10.693319   |vec|=   12.199520
                2s
                   +0 :              -0.00008305362308
                2p
                   -1 :              -0.00020470750748
                   +0 :               0.00003094899847
                   +1 :               0.00008871703213
                3s
                   +0 :               0.00031766355834
                4s
                   +0 :              -0.00005365595480
                3p
                   -1 :               0.00124353019448
                   +0 :              -0.00001928602698
                   +1 :              -0.00068501244460
                4p
                   -1 :              -0.00022100298087
                   +0 :               0.00000184189213
                   +1 :               0.00015904254696
                3d
                   -2 :              -0.00010440949848
                   -1 :              -0.00025480728284
                   +0 :              -0.00024794538970
                   +1 :               0.00018604933899
                   +2 :              -0.00012271765593
              3 vec=     4.977489     -5.868340    -10.693319   |vec|=   13.174213
                2s
                   +0 :               0.00011912899646
                2p
                   -1 :               0.00000241650720
                   +0 :               0.00002789165910
                   +1 :              -0.00002325117292
                3s
                   +0 :              -0.00120988460047
                4s
                   +0 :               0.00000584906301
                3p
                   -1 :               0.00051412616005
                   +0 :               0.00043208699143
                   +1 :              -0.00024722786814
                4p
                   -1 :              -0.00004665889120
                   +0 :               0.00008684690766
                   +1 :              -0.00008775715509
                3d
                   -2 :               0.00014690866945
                   -1 :              -0.00017331022688
                   +0 :               0.00008843244413
                   +1 :               0.00015966919563
                   +2 :               0.00001474827436
              4 vec=    -2.802674      7.607297    -10.693319   |vec|=   13.419128
                2s
                   +0 :              -0.00004495311545
                2p
                   -1 :              -0.00020645228963
                   +0 :               0.00005265095403
                   +1 :              -0.00000636103353
                3s
                   +0 :               0.00087588070927
                4s
                   +0 :              -0.00053782637135
                3p
                   -1 :               0.00113260697652
                   +0 :              -0.00098216628953
                   +1 :              -0.00020395117408
                4p
                   -1 :              -0.00030660107451
                   +0 :               0.00040247658976
                   +1 :               0.00017263282776
                3d
                   -2 :              -0.00006874322068
                   -1 :              -0.00028608871301
                   +0 :               0.00038989976143
                   +1 :              -0.00012742183251
                   +2 :              -0.00000128467726
              5 vec=    -2.802674     -1.376461     13.854224   |vec|=   14.201730
                2s
                   +0 :              -0.00003059464695
                2p
                   -1 :               0.00006173453036
                   +0 :               0.00004265277828
                   +1 :               0.00000257375876
                3s
                   +0 :              -0.00002921230520
                4s
                   +0 :               0.00002710216334
                3p
                   -1 :              -0.00031129117081
                   +0 :              -0.00026835097407
                   +1 :              -0.00006148717816
                4p
                   -1 :               0.00010778569420
                   +0 :               0.00008992921443
                   +1 :               0.00003503070324
                3d
                   -2 :              -0.00002767216532
                   -1 :               0.00002911549092
                   +0 :              -0.00002936990755
                   +1 :               0.00000207322396
                   +2 :               0.00000078563046
              6 vec=     4.977489      3.115418     13.854224   |vec|=   15.047283
                2s
                   +0 :               0.00002706944068
                2p
                   -1 :              -0.00003902185231
                   +0 :               0.00002782583847
                   +1 :              -0.00003490208717
                3s
                   +0 :              -0.00012686173533
                4s
                   +0 :               0.00000463290271
                3p
                   -1 :               0.00011695118688
                   +0 :              -0.00017923908193
                   +1 :               0.00014307984219
                4p
                   -1 :              -0.00003179218647
                   +0 :               0.00002927951896
                   +1 :              -0.00005093690975
                3d
                   -2 :              -0.00002697440450
                   -1 :              -0.00002799469176
                   +0 :              -0.00003037862965
                   +1 :              -0.00000759226402
                   +2 :               0.00003825953477
              7 vec=    -2.802674    -10.360219    -10.693319   |vec|=   15.150452
                2s
                   +0 :               0.00001763564829
                2p
                   -1 :              -0.00008486685371
                   +0 :               0.00002118166042
                   +1 :               0.00001054437957
                3s
                   +0 :               0.00024005882992
                4s
                   +0 :               0.00013155522524
                3p
                   -1 :               0.00056891983822
                   +0 :              -0.00024148541572
                   +1 :              -0.00020489681846
                4p
                   -1 :              -0.00013745060821
                   +0 :              -0.00002517304196
                   +1 :              -0.00002808834611
                3d
                   -2 :              -0.00015021985647
                   -1 :              -0.00010418880048
                   +0 :               0.00007550589879
                   +1 :               0.00011458585748
                   +2 :               0.00011327421047
              8 vec=   -10.582837      3.115418    -10.693319   |vec|=   15.363897
                2s
                   +0 :               0.00001596940527
                2p
                   -1 :              -0.00002573822586
                   +0 :               0.00000166141342
                   +1 :              -0.00004396084806
                3s
                   +0 :               0.00016077544234
                4s
                   +0 :              -0.00002782341500
                3p
                   -1 :               0.00008714353749
                   +0 :              -0.00005577287801
                   +1 :               0.00000927670431
                4p
                   -1 :               0.00000359211616
                   +0 :              -0.00001897398859
                   +1 :               0.00005757817708
                3d
                   -2 :               0.00005968655055
                   -1 :              -0.00002409862655
                   +0 :               0.00000023914580
                   +1 :              -0.00000931768955
                   +2 :               0.00003092998748
              9 vec=     4.977489     -5.868340     13.854224   |vec|=   15.847786
                2s
                   +0 :              -0.00005058360585
                2p
                   -1 :               0.00001599879994
                   +0 :               0.00003744152827
                   +1 :              -0.00000281664797
                3s
                   +0 :               0.00018889526720
                4s
                   +0 :               0.00001567758086
                3p
                   -1 :              -0.00017003554426
                   +0 :              -0.00027999293395
                   +1 :               0.00001778232430
                4p
                   -1 :               0.00000524880742
                   +0 :               0.00012153838017
                   +1 :               0.00000621730454
                3d
                   -2 :              -0.00004201685424
                   -1 :               0.00001343795917
                   +0 :              -0.00009827233619
                   +1 :              -0.00002704349662
                   +2 :              -0.00005044968877
             10 vec=    -2.802674      7.607297     13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00004912314684
                2p
                   -1 :               0.00001632851420
                   +0 :               0.00004154546985
                   +1 :               0.00002804298546
                3s
                   +0 :              -0.00001812288821
                4s
                   +0 :              -0.00000046683227
                3p
                   -1 :               0.00000952860739
                   +0 :              -0.00012093936278
                   +1 :              -0.00022194001249
                4p
                   -1 :              -0.00001456190393
                   +0 :               0.00000679507981
                   +1 :               0.00001466274013
                3d
                   -2 :              -0.00005990917550
                   -1 :              -0.00000459031339
                   +0 :              -0.00003599970988
                   +1 :               0.00004801033310
                   +2 :               0.00000728837840
             11 vec=   -10.582837     -5.868340    -10.693319   |vec|=   16.148712
                2s
                   +0 :              -0.00005669923008
                2p
                   -1 :               0.00001687736620
                   +0 :               0.00003867453365
                   +1 :               0.00003528038237
                3s
                   +0 :               0.00017838038255
                4s
                   +0 :              -0.00009186582581
                3p
                   -1 :              -0.00007102047340
                   +0 :              -0.00018756133534
                   +1 :              -0.00013780587487
                4p
                   -1 :               0.00003248357181
                   +0 :               0.00008065136170
                   +1 :               0.00002604349643
                3d
                   -2 :              -0.00000322586988
                   -1 :               0.00002115824786
                   +0 :              -0.00000027020724
                   +1 :               0.00002840719966
                   +2 :              -0.00000141995331
             12 vec=    12.757651     -1.376461    -10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00007964958259
                2p
                   -1 :               0.00006398193247
                   +0 :              -0.00001721155312
                   +1 :               0.00006673683528
                3s
                   +0 :              -0.00046243463360
                4s
                   +0 :               0.00030626372389
                3p
                   -1 :              -0.00037332574152
                   +0 :               0.00015880948560
                   +1 :              -0.00046019604534
                4p
                   -1 :               0.00007513758597
                   +0 :              -0.00011614288739
                   +1 :               0.00019224342350
                3d
                   -2 :              -0.00006537523154
                   -1 :               0.00003973079849
                   +0 :              -0.00000193585829
                   +1 :               0.00003628158228
                   +2 :              -0.00008303680772
             13 vec=     4.977489     12.099176    -10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00004502845379
                2p
                   -1 :              -0.00004530527418
                   +0 :              -0.00000211160108
                   +1 :               0.00005654886264
                3s
                   +0 :               0.00015831186117
                4s
                   +0 :               0.00005322139878
                3p
                   -1 :               0.00017328331004
                   +0 :              -0.00001508203480
                   +1 :              -0.00035581244943
                4p
                   -1 :               0.00002099582066
                   +0 :              -0.00003090238623
                   +1 :               0.00013606545707
                3d
                   -2 :              -0.00002584776493
                   -1 :              -0.00003286093044
                   +0 :               0.00002349837052
                   +1 :               0.00003635233905
                   +2 :              -0.00004503244532
             14 vec=    -2.802674    -10.360219     13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00003174726457
                2p
                   -1 :              -0.00001073588178
                   +0 :               0.00000541135621
                   +1 :               0.00001390035274
                3s
                   +0 :              -0.00031060204973
                4s
                   +0 :               0.00004183185807
                3p
                   -1 :               0.00023651170001
                   +0 :              -0.00011250215802
                   +1 :              -0.00008345725710
                4p
                   -1 :              -0.00000463946765
                   +0 :               0.00003434954540
                   +1 :               0.00001176915693
                3d
                   -2 :               0.00003240652477
                   -1 :               0.00002278069784
                   +0 :               0.00004236794508
                   +1 :              -0.00001695514820
                   +2 :               0.00006392367081
             15 vec=   -10.582837      3.115418     13.854224   |vec|=   17.709934
                2s
                   +0 :              -0.00007147195174
                2p
                   -1 :              -0.00001654402868
                   +0 :               0.00001064171490
                   +1 :               0.00004037265056
                3s
                   +0 :               0.00029287148902
                4s
                   +0 :              -0.00005592520892
                3p
                   -1 :               0.00008162543408
                   +0 :              -0.00005857224499
                   +1 :              -0.00025958478394
                4p
                   -1 :              -0.00000871684485
                   +0 :               0.00003014747134
                   +1 :               0.00003569586802
                3d
                   -2 :              -0.00002258710313
                   -1 :               0.00000201585266
                   +0 :              -0.00004584580610
                   +1 :              -0.00000942023460
                   +2 :               0.00005620956894
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al(  7)  npairs=  14
              1 vec=    -2.802674     -1.376461      1.580453   |vec|=    3.499637
                2s
                   +0 :              -0.02115294385822
                2p
                   -1 :               0.00301503476284
                   +0 :              -0.01261442225856
                   +1 :               0.02000005291753
                3s
                   +0 :              -0.03483448056973
                4s
                   +0 :              -0.01166879185944
                3p
                   -1 :              -0.02895921883337
                   +0 :              -0.02391123264293
                   +1 :               0.03756821323153
                4p
                   -1 :               0.00627778046949
                   +0 :              -0.00613043789798
                   +1 :               0.01043439168509
                3d
                   -2 :               0.00747684431984
                   -1 :              -0.00308179487596
                   +0 :              -0.00365517415394
                   +1 :               0.02980278275535
                   +2 :              -0.03279265520732
              2 vec=     4.977489      3.115418      1.580453   |vec|=    6.081040
                2s
                   +0 :              -0.00153573815973
                2p
                   -1 :               0.00059500442949
                   +0 :              -0.00139023451757
                   +1 :              -0.00071024066815
                3s
                   +0 :              -0.00144299118886
                4s
                   +0 :              -0.00176925737658
                3p
                   -1 :              -0.00432978343610
                   +0 :               0.00817348167727
                   +1 :               0.00363235489653
                4p
                   -1 :               0.00190000034302
                   +0 :              -0.00282559269874
                   +1 :              -0.00160309471815
                3d
                   -2 :               0.00399703774806
                   -1 :               0.00138064385993
                   +0 :              -0.00179268328493
                   +1 :               0.00203595675568
                   +2 :               0.00105448018008
              3 vec=     4.977489     -5.868340      1.580453   |vec|=    7.855612
                2s
                   +0 :              -0.00015953851196
                2p
                   -1 :              -0.00029942818429
                   +0 :               0.00058503579283
                   +1 :               0.00033176250240
                3s
                   +0 :              -0.01450195245491
                4s
                   +0 :               0.00022040398171
                3p
                   -1 :               0.00176935947871
                   +0 :              -0.01193426722405
                   +1 :              -0.00954124330825
                4p
                   -1 :              -0.00016871660102
                   +0 :               0.00096176558900
                   +1 :              -0.00007552575787
                3d
                   -2 :               0.00079350715486
                   -1 :               0.00229240186835
                   +0 :              -0.00095336565398
                   +1 :              -0.00433417125020
                   +2 :              -0.00291620052453
              4 vec=    -2.802674      7.607297      1.580453   |vec|=    8.259768
                2s
                   +0 :              -0.00067848247772
                2p
                   -1 :               0.00026289094304
                   +0 :              -0.00051388008096
                   +1 :              -0.00126312544419
                3s
                   +0 :               0.00839689718077
                4s
                   +0 :              -0.00162673426257
                3p
                   -1 :               0.00087191776958
                   +0 :               0.00766421673564
                   +1 :               0.01134989607389
                4p
                   -1 :              -0.00015657900607
                   +0 :              -0.00120542466788
                   +1 :              -0.00174243686268
                3d
                   -2 :               0.00393100882093
                   -1 :               0.00207214651228
                   +0 :               0.00125636504522
                   +1 :               0.00299660221393
                   +2 :               0.00112949069264
              5 vec=    -2.802674    -10.360219      1.580453   |vec|=   10.848362
                2s
                   +0 :               0.00034658400874
                2p
                   -1 :              -0.00017921189423
                   +0 :              -0.00002498395334
                   +1 :              -0.00043909109802
                3s
                   +0 :              -0.00250081313716
                4s
                   +0 :               0.00039262034190
                3p
                   -1 :               0.00134093231877
                   +0 :              -0.00067094168803
                   +1 :               0.00247455261754
                4p
                   -1 :              -0.00021244133198
                   +0 :               0.00007033614825
                   +1 :              -0.00044766207478
                3d
                   -2 :              -0.00077593199628
                   -1 :               0.00025183945750
                   +0 :               0.00018088919057
                   +1 :               0.00018565711112
                   +2 :              -0.00006134364751
              6 vec=   -10.582837      3.115418      1.580453   |vec|=   11.144509
                2s
                   +0 :              -0.00058769580361
                2p
                   -1 :              -0.00004964499258
                   +0 :               0.00016146052286
                   +1 :               0.00012269959304
                3s
                   +0 :               0.00341393829153
                4s
                   +0 :              -0.00039495724361
                3p
                   -1 :              -0.00017965247980
                   +0 :              -0.00002383107738
                   +1 :              -0.00172039530642
                4p
                   -1 :              -0.00010116350357
                   +0 :               0.00008473564066
                   +1 :               0.00001217963537
                3d
                   -2 :               0.00016545890789
                   -1 :              -0.00050601776985
                   +0 :               0.00019466644000
                   +1 :              -0.00015874138153
                   +2 :               0.00052773416325
              7 vec=   -10.582837     -5.868340      1.580453   |vec|=   12.203757
                2s
                   +0 :              -0.00008591722997
                2p
                   -1 :               0.00014804956597
                   +0 :              -0.00013192035182
                   +1 :               0.00001602299603
                3s
                   +0 :              -0.00026786114860
                4s
                   +0 :              -0.00005512368800
                3p
                   -1 :              -0.00028190162728
                   +0 :               0.00025401228366
                   +1 :               0.00021023924619
                4p
                   -1 :               0.00022105939097
                   +0 :              -0.00010825247838
                   +1 :              -0.00008468947549
                3d
                   -2 :              -0.00007023132242
                   -1 :               0.00003490814405
                   +0 :               0.00000740310234
                   +1 :              -0.00007650304172
                   +2 :               0.00015911336866
              8 vec=    12.757651     -1.376461      1.580453   |vec|=   12.928656
                2s
                   +0 :               0.00018166335292
                2p
                   -1 :               0.00003616180484
                   +0 :               0.00003633032551
                   +1 :              -0.00003888251499
                3s
                   +0 :              -0.00048513525460
                4s
                   +0 :               0.00007071534714
                3p
                   -1 :              -0.00019655739444
                   +0 :              -0.00039560650390
                   +1 :               0.00028062362361
                4p
                   -1 :               0.00009445547604
                   +0 :               0.00014063634487
                   +1 :              -0.00012709327781
                3d
                   -2 :              -0.00012519644440
                   -1 :               0.00013123790437
                   +0 :               0.00004518870139
                   +1 :              -0.00003441324108
                   +2 :               0.00012824465836
              9 vec=     4.977489     12.099176      1.580453   |vec|=   13.178136
                2s
                   +0 :              -0.00017544113931
                2p
                   -1 :               0.00009156892641
                   +0 :              -0.00010265044882
                   +1 :              -0.00014072971973
                3s
                   +0 :               0.00286479712126
                4s
                   +0 :              -0.00010293045321
                3p
                   -1 :               0.00123278357309
                   +0 :               0.00238793204960
                   +1 :               0.00009869635398
                4p
                   -1 :               0.00018158815054
                   +0 :              -0.00038767771725
                   +1 :              -0.00006710997891
                3d
                   -2 :              -0.00018251389529
                   -1 :               0.00103859383361
                   +0 :               0.00025101122123
                   +1 :               0.00000243023898
                   +2 :              -0.00032804727693
             10 vec=    12.757651      7.607297      1.580453   |vec|=   14.937418
                2s
                   +0 :              -0.00005834430393
                2p
                   -1 :               0.00001910630803
                   +0 :               0.00001095742444
                   +1 :               0.00003374712294
                3s
                   +0 :               0.00025629118481
                4s
                   +0 :               0.00002954608530
                3p
                   -1 :              -0.00022261470942
                   +0 :               0.00003218106650
                   +1 :              -0.00020214362691
                4p
                   -1 :               0.00003912282248
                   +0 :               0.00002771693260
                   +1 :               0.00010994818034
                3d
                   -2 :              -0.00004331701746
                   -1 :              -0.00009392868451
                   +0 :               0.00002542703577
                   +1 :               0.00001387675512
                   +2 :              -0.00004695815769
             11 vec=     4.977489    -14.852098      1.580453   |vec|=   15.743508
                2s
                   +0 :               0.00013419512838
                2p
                   -1 :              -0.00007527200038
                   +0 :               0.00002886108704
                   +1 :               0.00001919044529
                3s
                   +0 :              -0.00048269230996
                4s
                   +0 :               0.00018145689728
                3p
                   -1 :               0.00045396137642
                   +0 :              -0.00022438409824
                   +1 :              -0.00005504487843
                4p
                   -1 :              -0.00011614014858
                   +0 :               0.00006239782768
                   +1 :               0.00000360377919
                3d
                   -2 :               0.00000229902774
                   -1 :               0.00004669288764
                   +0 :               0.00008112353835
                   +1 :              -0.00001256372533
                   +2 :               0.00012160769743
             12 vec=   -10.582837     12.099176      1.580453   |vec|=   16.151913
                2s
                   +0 :              -0.00001769645848
                2p
                   -1 :               0.00000417990043
                   +0 :               0.00000451048844
                   +1 :              -0.00002794388327
                3s
                   +0 :              -0.00003011809437
                4s
                   +0 :               0.00010541958403
                3p
                   -1 :              -0.00015063118993
                   +0 :              -0.00003397046547
                   +1 :               0.00025896478778
                4p
                   -1 :               0.00007520792928
                   +0 :               0.00003311596389
                   +1 :              -0.00015302496536
                3d
                   -2 :              -0.00001591533527
                   -1 :               0.00001410868505
                   +0 :              -0.00004242089631
                   +1 :              -0.00001425255678
                   +2 :              -0.00006310863714
             13 vec=    12.757651    -10.360219      1.580453   |vec|=   16.510289
                2s
                   +0 :               0.00002027041574
                2p
                   -1 :              -0.00001085069473
                   +0 :               0.00002526338826
                   +1 :               0.00000711125287
                3s
                   +0 :              -0.00001033497508
                4s
                   +0 :               0.00000491134699
                3p
                   -1 :              -0.00000128373060
                   +0 :              -0.00010503234415
                   +1 :               0.00007660183156
                4p
                   -1 :               0.00000492870110
                   +0 :               0.00003117619706
                   +1 :              -0.00000360559444
                3d
                   -2 :              -0.00000892295965
                   -1 :               0.00000227959585
                   +0 :              -0.00000598421080
                   +1 :              -0.00000855313563
                   +2 :               0.00001488961244
             14 vec=    -2.802674     16.591055      1.580453   |vec|=   16.900175
                2s
                   +0 :               0.00000490291765
                2p
                   -1 :               0.00000819555589
                   +0 :               0.00001819972828
                   +1 :              -0.00001455837159
                3s
                   +0 :               0.00027298563495
                4s
                   +0 :              -0.00010543772469
                3p
                   -1 :               0.00014876405513
                   +0 :               0.00004349483105
                   +1 :               0.00007959040276
                4p
                   -1 :              -0.00006469457580
                   +0 :               0.00000380395491
                   +1 :              -0.00003487923184
                3d
                   -2 :               0.00002339409052
                   -1 :               0.00002822268551
                   +0 :               0.00000354239547
                   +1 :               0.00000475604855
                   +2 :              -0.00000485183444
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al(  8)  npairs=  14
              1 vec=    -2.802674     -1.376461     -5.671873   |vec|=    6.474548
                2s
                   +0 :               0.00124772782621
                2p
                   -1 :               0.00057041297517
                   +0 :              -0.00121603652997
                   +1 :              -0.00058756164576
                3s
                   +0 :              -0.00372770154017
                4s
                   +0 :               0.00329626664496
                3p
                   -1 :              -0.00323944152926
                   +0 :               0.00870361634310
                   +1 :               0.00314387061193
                4p
                   -1 :               0.00044801612392
                   +0 :              -0.00377503125519
                   +1 :              -0.00115927381451
                3d
                   -2 :              -0.00148323775067
                   -1 :              -0.00220985569781
                   +0 :              -0.00177040307756
                   +1 :              -0.00001431413001
                   +2 :              -0.00000172539735
              2 vec=     4.977489      3.115418     -5.671873   |vec|=    8.164029
                2s
                   +0 :               0.00057005225419
                2p
                   -1 :              -0.00066344768153
                   +0 :              -0.00016382821966
                   +1 :               0.00038015632455
                3s
                   +0 :               0.00280531389481
                4s
                   +0 :              -0.00036099601100
                3p
                   -1 :               0.00570694797215
                   +0 :               0.00204939472041
                   +1 :               0.00046540339018
                4p
                   -1 :              -0.00090104103699
                   +0 :              -0.00021675262224
                   +1 :               0.00028657144143
                3d
                   -2 :               0.00167704338619
                   -1 :              -0.00057408957614
                   +0 :              -0.00130148517236
                   +1 :               0.00118212323448
                   +2 :              -0.00034650909640
              3 vec=     4.977489     -5.868340     -5.671873   |vec|=    9.559444
                2s
                   +0 :              -0.00065165214635
                2p
                   -1 :               0.00065403747742
                   +0 :               0.00040144161692
                   +1 :               0.00053611260132
                3s
                   +0 :               0.00087208728119
                4s
                   +0 :              -0.00001462462084
                3p
                   -1 :              -0.00288724736541
                   +0 :              -0.00097611747291
                   +1 :              -0.00278306648675
                4p
                   -1 :               0.00044595471251
                   +0 :               0.00018981044878
                   +1 :               0.00053664915491
                3d
                   -2 :               0.00013678115725
                   -1 :               0.00043001668950
                   +0 :              -0.00033149821590
                   +1 :               0.00027985616590
                   +2 :              -0.00030921447235
              4 vec=    -2.802674      7.607297     -5.671873   |vec|=    9.894245
                2s
                   +0 :               0.00196404199052
                2p
                   -1 :               0.00012207847308
                   +0 :               0.00026858714541
                   +1 :              -0.00180544146787
                3s
                   +0 :              -0.00493149185411
                4s
                   +0 :               0.00135472278590
                3p
                   -1 :              -0.00009397844624
                   +0 :              -0.00279788658430
                   +1 :               0.00826357300979
                4p
                   -1 :              -0.00002521570264
                   +0 :               0.00151200552998
                   +1 :              -0.00153481745680
                3d
                   -2 :               0.00083586588629
                   -1 :              -0.00059268276070
                   +0 :               0.00086234979488
                   +1 :              -0.00034556237785
                   +2 :              -0.00108739441600
              5 vec=    -2.802674    -10.360219     -5.671873   |vec|=   12.139163
                2s
                   +0 :              -0.00026119450972
                2p
                   -1 :               0.00025731606843
                   +0 :               0.00007156869876
                   +1 :               0.00003972992214
                3s
                   +0 :               0.00052840488454
                4s
                   +0 :              -0.00035673273412
                3p
                   -1 :              -0.00078192943954
                   +0 :              -0.00009428039228
                   +1 :              -0.00014859268362
                4p
                   -1 :               0.00028346589449
                   +0 :               0.00006077336907
                   +1 :               0.00005738306675
                3d
                   -2 :              -0.00008509328607
                   -1 :               0.00033437361950
                   +0 :               0.00004316157648
                   +1 :              -0.00002912488076
                   +2 :              -0.00006365085603
              6 vec=   -10.582837      3.115418     -5.671873   |vec|=   12.404532
                2s
                   +0 :               0.00018689681874
                2p
                   -1 :               0.00015758886504
                   +0 :              -0.00014260863777
                   +1 :              -0.00017772833413
                3s
                   +0 :              -0.00041682903237
                4s
                   +0 :               0.00001975178110
                3p
                   -1 :              -0.00052476804962
                   +0 :               0.00038463198250
                   +1 :               0.00073918203093
                4p
                   -1 :               0.00012128756445
                   +0 :              -0.00002080474204
                   +1 :              -0.00006552129916
                3d
                   -2 :               0.00018016306333
                   -1 :               0.00003786173280
                   +0 :               0.00001550504356
                   +1 :              -0.00024895414272
                   +2 :              -0.00030182324068
              7 vec=   -10.582837     -5.868340     -5.671873   |vec|=   13.364281
                2s
                   +0 :              -0.00005984530781
                2p
                   -1 :              -0.00003701347281
                   +0 :              -0.00002442607722
                   +1 :               0.00003454234970
                3s
                   +0 :               0.00015837678048
                4s
                   +0 :              -0.00018156379463
                3p
                   -1 :              -0.00000487362535
                   +0 :               0.00005333789832
                   +1 :              -0.00022752224858
                4p
                   -1 :               0.00005167140832
                   +0 :               0.00000724990473
                   +1 :               0.00012122548319
                3d
                   -2 :               0.00003200676808
                   -1 :               0.00005011627794
                   +0 :              -0.00007870933063
                   +1 :              -0.00004636316568
                   +2 :              -0.00009468375655
              8 vec=    12.757651     -1.376461     -5.671873   |vec|=   14.029343
                2s
                   +0 :              -0.00025335054906
                2p
                   -1 :              -0.00012732258145
                   +0 :               0.00007172540344
                   +1 :              -0.00007915315936
                3s
                   +0 :               0.00088834969029
                4s
                   +0 :              -0.00038968686670
                3p
                   -1 :               0.00054545647295
                   +0 :              -0.00014371119105
                   +1 :               0.00042891547005
                4p
                   -1 :              -0.00012873985817
                   +0 :              -0.00001297603432
                   +1 :              -0.00016813634871
                3d
                   -2 :               0.00015664913716
                   -1 :              -0.00013885587078
                   +0 :               0.00002066701507
                   +1 :              -0.00012594423915
                   +2 :              -0.00003329365049
              9 vec=     4.977489     12.099176     -5.671873   |vec|=   14.259579
                2s
                   +0 :               0.00004464483029
                2p
                   -1 :               0.00012693814223
                   +0 :              -0.00002504935459
                   +1 :               0.00001539201775
                3s
                   +0 :              -0.00006660264180
                4s
                   +0 :               0.00002687218071
                3p
                   -1 :              -0.00073202612495
                   +0 :               0.00001840224171
                   +1 :              -0.00001265725086
                4p
                   -1 :               0.00019205713281
                   +0 :              -0.00003274524600
                   +1 :               0.00001755743447
                3d
                   -2 :              -0.00007233864739
                   -1 :               0.00013106441740
                   +0 :               0.00012199065054
                   +1 :              -0.00009809568054
                   +2 :               0.00006321210860
             10 vec=    12.757651      7.607297     -5.671873   |vec|=   15.899647
                2s
                   +0 :               0.00014521661163
                2p
                   -1 :               0.00008475170533
                   +0 :              -0.00002493932514
                   +1 :               0.00006753549942
                3s
                   +0 :              -0.00043286906031
                4s
                   +0 :               0.00010031179773
                3p
                   -1 :              -0.00042266209700
                   +0 :               0.00004937580307
                   +1 :              -0.00030368818683
                4p
                   -1 :               0.00008845074051
                   +0 :               0.00001451508351
                   +1 :               0.00003774129037
                3d
                   -2 :              -0.00008826595189
                   -1 :               0.00006442605966
                   +0 :               0.00003733806253
                   +1 :               0.00005991246856
                   +2 :              -0.00004047979787
             11 vec=     4.977489    -14.852098     -5.671873   |vec|=   16.659243
                2s
                   +0 :              -0.00010403815754
                2p
                   -1 :               0.00004799397597
                   +0 :               0.00001208320342
                   +1 :               0.00001208379316
                3s
                   +0 :               0.00024857060601
                4s
                   +0 :              -0.00008133316576
                3p
                   -1 :              -0.00009647101154
                   +0 :               0.00009912490014
                   +1 :               0.00002103896738
                4p
                   -1 :               0.00003986739168
                   +0 :              -0.00002223230278
                   +1 :               0.00002048018135
                3d
                   -2 :              -0.00002005052347
                   -1 :               0.00004894487350
                   +0 :               0.00005077871500
                   +1 :               0.00002406665384
                   +2 :              -0.00002479833096
             12 vec=   -10.582837     12.099176     -5.671873   |vec|=   17.045722
                2s
                   +0 :               0.00013970194743
                2p
                   -1 :               0.00005211537192
                   +0 :              -0.00005772377768
                   +1 :              -0.00008500081434
                3s
                   +0 :              -0.00044544236171
                4s
                   +0 :               0.00016018251531
                3p
                   -1 :              -0.00027747532665
                   +0 :               0.00029104972315
                   +1 :               0.00040255678478
                4p
                   -1 :               0.00009508844271
                   +0 :              -0.00006805138995
                   +1 :              -0.00008821451337
                3d
                   -2 :               0.00007394370106
                   -1 :               0.00007448153466
                   +0 :              -0.00001620861109
                   +1 :              -0.00014991763005
                   +2 :              -0.00007508514997
             13 vec=    12.757651    -10.360219     -5.671873   |vec|=   17.385683
                2s
                   +0 :              -0.00000127310455
                2p
                   -1 :              -0.00002605756371
                   +0 :               0.00000252339032
                   +1 :               0.00000733778676
                3s
                   +0 :              -0.00009786348023
                4s
                   +0 :               0.00004707848724
                3p
                   -1 :               0.00014121088194
                   +0 :               0.00001140895206
                   +1 :              -0.00008144651778
                4p
                   -1 :              -0.00004434940663
                   +0 :              -0.00001408452998
                   +1 :               0.00003598862375
                3d
                   -2 :               0.00002926613210
                   -1 :              -0.00001614627810
                   +0 :              -0.00001586790662
                   +1 :               0.00001028031211
                   +2 :               0.00000141192771
             14 vec=    -2.802674     16.591055     -5.671873   |vec|=   17.756357
                2s
                   +0 :              -0.00004623484120
                2p
                   -1 :              -0.00000176324140
                   +0 :               0.00000620595004
                   +1 :              -0.00001319018493
                3s
                   +0 :               0.00014564505587
                4s
                   +0 :               0.00002470933018
                3p
                   -1 :              -0.00003801029031
                   +0 :              -0.00001063557360
                   +1 :               0.00003453133036
                4p
                   -1 :               0.00006052815185
                   +0 :              -0.00001551724208
                   +1 :              -0.00000373799156
                3d
                   -2 :               0.00006919997869
                   -1 :              -0.00000159176714
                   +0 :               0.00000292321293
                   +1 :              -0.00004668483029
                   +2 :               0.00002256947832
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al(  9)  npairs=  13
              1 vec=     2.384101     -1.376461     -9.762967   |vec|=   10.143673
                2s
                   +0 :               0.00014429294172
                2p
                   -1 :               0.00000301302992
                   +0 :              -0.00007591890265
                   +1 :              -0.00000466221994
                3s
                   +0 :              -0.00015927499689
                4s
                   +0 :              -0.00016069354904
                3p
                   -1 :              -0.00062024187676
                   +0 :               0.00003152355232
                   +1 :               0.00048941817816
                4p
                   -1 :               0.00017225549899
                   +0 :               0.00008486014567
                   +1 :              -0.00004030444880
                3d
                   -2 :               0.00011617449626
                   -1 :               0.00003337295614
                   +0 :               0.00004367065819
                   +1 :              -0.00006628258866
                   +2 :              -0.00004892136640
              2 vec=    -5.396061      3.115418     -9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00016956246685
                2p
                   -1 :               0.00014872086366
                   +0 :               0.00001497069691
                   +1 :               0.00038640351705
                3s
                   +0 :               0.00058905322641
                4s
                   +0 :              -0.00039130434277
                3p
                   -1 :              -0.00037039390546
                   +0 :              -0.00044592384691
                   +1 :              -0.00187977666776
                4p
                   -1 :              -0.00003295539906
                   +0 :               0.00029961189375
                   +1 :               0.00056425944047
                3d
                   -2 :              -0.00004194982848
                   -1 :               0.00021220051537
                   +0 :               0.00009032912357
                   +1 :               0.00035674397932
                   +2 :               0.00013180414497
              3 vec=    -5.396061     -5.868340     -9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00005172133338
                2p
                   -1 :               0.00004563349653
                   +0 :              -0.00000239233007
                   +1 :              -0.00002602559422
                3s
                   +0 :              -0.00110645501077
                4s
                   +0 :               0.00012248922261
                3p
                   -1 :               0.00055750126582
                   +0 :               0.00027452298533
                   +1 :               0.00076993863815
                4p
                   -1 :               0.00004690316095
                   +0 :              -0.00004931022709
                   +1 :              -0.00009047470043
                3d
                   -2 :              -0.00028975542456
                   -1 :              -0.00012535080101
                   +0 :               0.00016153424915
                   +1 :              -0.00016371523977
                   +2 :              -0.00001186852066
              4 vec=     2.384101      7.607297     -9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00005921544066
                2p
                   -1 :               0.00032902472508
                   +0 :              -0.00012148690563
                   +1 :              -0.00002263099336
                3s
                   +0 :               0.00047609866505
                4s
                   +0 :               0.00017203690512
                3p
                   -1 :              -0.00106426560575
                   +0 :               0.00063280441602
                   +1 :              -0.00021297712869
                4p
                   -1 :               0.00037578114099
                   +0 :              -0.00044634894196
                   +1 :               0.00024750557638
                3d
                   -2 :              -0.00005560088965
                   -1 :               0.00009051437110
                   +0 :              -0.00011822961842
                   +1 :               0.00006043703734
                   +2 :              -0.00022943935256
              5 vec=     2.384101    -10.360219     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00002395218749
                2p
                   -1 :              -0.00014367165085
                   +0 :              -0.00000754374673
                   +1 :               0.00003764991381
                3s
                   +0 :              -0.00002583351648
                4s
                   +0 :               0.00009821268445
                3p
                   -1 :               0.00108076392960
                   +0 :               0.00015762727045
                   +1 :              -0.00001077030978
                4p
                   -1 :              -0.00022526590121
                   +0 :              -0.00004663290985
                   +1 :               0.00002387646127
                3d
                   -2 :               0.00028502645181
                   -1 :              -0.00021455503377
                   +0 :              -0.00007812965306
                   +1 :              -0.00002051928641
                   +2 :               0.00016502494002
              6 vec=    10.164264      3.115418     -9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00018793607954
                2p
                   -1 :              -0.00004492063272
                   +0 :               0.00006332115102
                   +1 :               0.00001806119985
                3s
                   +0 :               0.00058493473646
                4s
                   +0 :              -0.00013058788138
                3p
                   -1 :               0.00023682980525
                   +0 :              -0.00033258519036
                   +1 :              -0.00009920143051
                4p
                   -1 :              -0.00010524809582
                   +0 :               0.00007155764901
                   +1 :               0.00006523407303
                3d
                   -2 :              -0.00012586630172
                   -1 :              -0.00000236726481
                   +0 :              -0.00006614775881
                   +1 :              -0.00001837925633
                   +2 :               0.00007746803769
              7 vec=     2.384101     -1.376461     14.784576   |vec|=   15.038692
                2s
                   +0 :              -0.00001043946103
                2p
                   -1 :              -0.00001128928467
                   +0 :               0.00000309342618
                   +1 :               0.00000968950522
                3s
                   +0 :              -0.00008587777785
                4s
                   +0 :               0.00005181148253
                3p
                   -1 :               0.00013291498666
                   +0 :              -0.00008014697501
                   +1 :              -0.00000703721125
                4p
                   -1 :              -0.00002980665214
                   +0 :               0.00003174474892
                   +1 :              -0.00001077589973
                3d
                   -2 :              -0.00003582364970
                   -1 :               0.00003945675891
                   +0 :              -0.00003896972230
                   +1 :              -0.00000129715449
                   +2 :              -0.00006341623327
              8 vec=    10.164264     -5.868340     -9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00004221754599
                2p
                   -1 :               0.00001738004673
                   +0 :               0.00005378346466
                   +1 :              -0.00003174371394
                3s
                   +0 :               0.00016555854464
                4s
                   +0 :              -0.00019225627103
                3p
                   -1 :              -0.00015879444958
                   +0 :              -0.00022259843358
                   +1 :               0.00017888572886
                4p
                   -1 :               0.00011660541301
                   +0 :               0.00011264393017
                   +1 :              -0.00008142982283
                3d
                   -2 :               0.00004745246123
                   -1 :               0.00001782384091
                   +0 :              -0.00001688269493
                   +1 :              -0.00003170117598
                   +2 :               0.00002829265713
              9 vec=    -5.396061      3.115418     14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00009105884543
                2p
                   -1 :              -0.00003469798194
                   +0 :              -0.00001670327517
                   +1 :              -0.00000547304823
                3s
                   +0 :               0.00023540137708
                4s
                   +0 :              -0.00004809749730
                3p
                   -1 :               0.00012635314016
                   +0 :               0.00003484373890
                   +1 :               0.00009357141187
                4p
                   -1 :              -0.00002159315293
                   +0 :               0.00000801545596
                   +1 :              -0.00000755297161
                3d
                   -2 :              -0.00002830789222
                   -1 :              -0.00001376518664
                   +0 :              -0.00004014792299
                   +1 :               0.00003467537432
                   +2 :               0.00004490586626
             10 vec=   -13.176224     -1.376461     -9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00003008589085
                2p
                   -1 :               0.00003285870083
                   +0 :              -0.00000718367833
                   +1 :              -0.00000063507962
                3s
                   +0 :               0.00009724595175
                4s
                   +0 :              -0.00000801647289
                3p
                   -1 :              -0.00026524999641
                   +0 :               0.00001695157244
                   +1 :               0.00001460502987
                4p
                   -1 :               0.00005393041997
                   +0 :              -0.00002376973022
                   +1 :              -0.00000453654825
                3d
                   -2 :               0.00002395671176
                   -1 :               0.00001035694919
                   +0 :              -0.00001541592052
                   +1 :              -0.00002907613259
                   +2 :              -0.00007238246682
             11 vec=    -5.396061     12.099176     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00015232081770
                2p
                   -1 :               0.00008001048766
                   +0 :              -0.00002742542660
                   +1 :              -0.00003499439385
                3s
                   +0 :              -0.00031949296769
                4s
                   +0 :               0.00008818421539
                3p
                   -1 :              -0.00025058578075
                   +0 :               0.00006972785554
                   +1 :               0.00013179498278
                4p
                   -1 :               0.00003300020627
                   +0 :               0.00000337216575
                   +1 :              -0.00004791677251
                3d
                   -2 :               0.00002703644212
                   -1 :               0.00000804322400
                   +0 :               0.00001437080702
                   +1 :              -0.00001017984566
                   +2 :               0.00003096208128
             12 vec=    -5.396061     -5.868340     14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00002188513731
                2p
                   -1 :               0.00002111429059
                   +0 :               0.00000172301605
                   +1 :              -0.00003305832009
                3s
                   +0 :               0.00004487716083
                4s
                   +0 :              -0.00003002606771
                3p
                   -1 :              -0.00022673042741
                   +0 :               0.00013266311124
                   +1 :               0.00016622787002
                4p
                   -1 :               0.00003792782592
                   +0 :              -0.00002943035449
                   +1 :              -0.00002994083430
                3d
                   -2 :               0.00004238120426
                   -1 :              -0.00006827052957
                   +0 :               0.00007626903940
                   +1 :              -0.00000213667642
                   +2 :               0.00000699286069
             13 vec=     2.384101      7.607297     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00013600969398
                2p
                   -1 :              -0.00001030155869
                   +0 :              -0.00003838026223
                   +1 :              -0.00001450712403
                3s
                   +0 :               0.00044583876317
                4s
                   +0 :              -0.00009776670981
                3p
                   -1 :               0.00009185259099
                   +0 :               0.00016483705010
                   +1 :               0.00015338864225
                4p
                   -1 :              -0.00002881156395
                   +0 :              -0.00001886971565
                   +1 :              -0.00001649050520
                3d
                   -2 :               0.00007530310873
                   -1 :               0.00002026811502
                   +0 :              -0.00004215210894
                   +1 :               0.00001604185946
                   +2 :               0.00002009681521
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al( 10)  npairs=  14
              1 vec=     2.384101     -1.376461     -2.510641   |vec|=    3.725842
                2s
                   +0 :              -0.01399153202220
                2p
                   -1 :               0.00377358726876
                   +0 :               0.01142127229056
                   +1 :              -0.01366996853069
                3s
                   +0 :              -0.03719905202460
                4s
                   +0 :              -0.00702294261632
                3p
                   -1 :              -0.00723747698871
                   +0 :               0.03197363540690
                   +1 :              -0.02092945946785
                4p
                   -1 :               0.00338022959935
                   +0 :               0.00550745979880
                   +1 :              -0.00794767663913
                3d
                   -2 :               0.00086147293681
                   -1 :               0.00183974547561
                   +0 :              -0.01090059044580
                   +1 :               0.02857658796766
                   +2 :              -0.02093709668241
              2 vec=    -5.396061      3.115418     -2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00438903833737
                2p
                   -1 :              -0.00057770496104
                   +0 :               0.00138183823421
                   +1 :               0.00301664380808
                3s
                   +0 :               0.01711254306423
                4s
                   +0 :              -0.00947112186960
                3p
                   -1 :               0.00156062468902
                   +0 :              -0.00713949315915
                   +1 :              -0.01247186925913
                4p
                   -1 :              -0.00122824888939
                   +0 :               0.00303523716403
                   +1 :               0.00498480043863
                3d
                   -2 :              -0.00075330340169
                   -1 :               0.00079186011715
                   +0 :               0.00083208523809
                   +1 :               0.00222334140203
                   +2 :              -0.00074488394228
              3 vec=    -5.396061     -5.868340     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00017127994396
                2p
                   -1 :               0.00040942946768
                   +0 :              -0.00012164089353
                   +1 :               0.00048156570466
                3s
                   +0 :              -0.00339545839771
                4s
                   +0 :              -0.00039987162533
                3p
                   -1 :              -0.00339135964609
                   +0 :               0.00481158129639
                   +1 :              -0.00084505235800
                4p
                   -1 :               0.00059343051836
                   +0 :              -0.00021658271679
                   +1 :               0.00108562373905
                3d
                   -2 :               0.00120402305713
                   -1 :               0.00008713113564
                   +0 :              -0.00228798778533
                   +1 :              -0.00167309306410
                   +2 :              -0.00032048819418
              4 vec=     2.384101      7.607297     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00116657006865
                2p
                   -1 :              -0.00080650946568
                   +0 :               0.00059105226625
                   +1 :               0.00058179760836
                3s
                   +0 :               0.00663596583833
                4s
                   +0 :               0.00104313875894
                3p
                   -1 :               0.00264357900925
                   +0 :              -0.00773229423480
                   +1 :              -0.00801504670610
                4p
                   -1 :               0.00091813446223
                   +0 :               0.00048206807737
                   +1 :               0.00256650349138
                3d
                   -2 :              -0.00239893503300
                   -1 :              -0.00125717921486
                   +0 :               0.00184081387699
                   +1 :               0.00179187237196
                   +2 :               0.00022794208105
              5 vec=     2.384101    -10.360219     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00050232311774
                2p
                   -1 :               0.00017678197252
                   +0 :               0.00005194357584
                   +1 :              -0.00032068878157
                3s
                   +0 :               0.00003231285591
                4s
                   +0 :               0.00043739259965
                3p
                   -1 :               0.00076374043161
                   +0 :              -0.00020380028933
                   +1 :               0.00156908216474
                4p
                   -1 :              -0.00053121938598
                   +0 :              -0.00000895203417
                   +1 :              -0.00024611698385
                3d
                   -2 :              -0.00014783805332
                   -1 :              -0.00027801398334
                   +0 :              -0.00007493434268
                   +1 :              -0.00022443988016
                   +2 :               0.00024100934555
              6 vec=    10.164264      3.115418     -2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00040266285026
                2p
                   -1 :               0.00014819122937
                   +0 :              -0.00000811847814
                   +1 :               0.00006965367556
                3s
                   +0 :              -0.00065934813579
                4s
                   +0 :               0.00048039901577
                3p
                   -1 :              -0.00055958582180
                   +0 :              -0.00015149988830
                   +1 :               0.00025313120898
                4p
                   -1 :               0.00012559470738
                   +0 :              -0.00000765409599
                   +1 :              -0.00001414721406
                3d
                   -2 :              -0.00010424739134
                   -1 :              -0.00017642085401
                   +0 :               0.00004478285313
                   +1 :              -0.00015699412864
                   +2 :               0.00018423657182
              7 vec=    10.164264     -5.868340     -2.510641   |vec|=   12.002208
                2s
                   +0 :              -0.00025286955526
                2p
                   -1 :               0.00005836442096
                   +0 :               0.00004019319493
                   +1 :              -0.00012736194605
                3s
                   +0 :               0.00041421966450
                4s
                   +0 :              -0.00024402849175
                3p
                   -1 :              -0.00007834808332
                   +0 :               0.00006036831519
                   +1 :               0.00056531202268
                4p
                   -1 :               0.00017635667042
                   +0 :               0.00008787182280
                   +1 :              -0.00010990249357
                3d
                   -2 :               0.00032324045327
                   -1 :              -0.00014663938744
                   +0 :              -0.00014504340318
                   +1 :               0.00008038315389
                   +2 :               0.00030176323819
              8 vec=   -13.176224     -1.376461     -2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00008971495347
                2p
                   -1 :              -0.00002061204941
                   +0 :              -0.00006171974103
                   +1 :              -0.00002306430241
                3s
                   +0 :              -0.00036140680346
                4s
                   +0 :               0.00015639255675
                3p
                   -1 :              -0.00000764577212
                   +0 :               0.00024139861003
                   +1 :               0.00019548771384
                4p
                   -1 :               0.00003878817625
                   +0 :              -0.00009879021541
                   +1 :              -0.00010123566795
                3d
                   -2 :              -0.00003214874207
                   -1 :               0.00001585474213
                   +0 :               0.00000727579187
                   +1 :              -0.00010566038598
                   +2 :              -0.00005824752497
              9 vec=    -5.396061     12.099176     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00001038850912
                2p
                   -1 :               0.00016418929159
                   +0 :              -0.00025474950744
                   +1 :               0.00037459922568
                3s
                   +0 :               0.00079580347067
                4s
                   +0 :               0.00004909493127
                3p
                   -1 :              -0.00031053842978
                   +0 :               0.00023354930572
                   +1 :              -0.00181442102295
                4p
                   -1 :               0.00022169437133
                   +0 :              -0.00005355500190
                   +1 :               0.00051409259379
                3d
                   -2 :              -0.00044129470017
                   -1 :              -0.00003429451878
                   +0 :               0.00005099859460
                   +1 :              -0.00009162811139
                   +2 :               0.00023207036016
             10 vec=   -13.176224      7.607297     -2.510641   |vec|=   15.420349
                2s
                   +0 :               0.00001472850827
                2p
                   -1 :              -0.00001079593512
                   +0 :              -0.00002133171104
                   +1 :              -0.00001436667475
                3s
                   +0 :               0.00005961534215
                4s
                   +0 :              -0.00004418570292
                3p
                   -1 :               0.00007022062208
                   +0 :               0.00012927289926
                   +1 :              -0.00002469445212
                4p
                   -1 :              -0.00000054728881
                   +0 :              -0.00005866170484
                   +1 :               0.00004763131668
                3d
                   -2 :              -0.00002573177468
                   -1 :              -0.00000343886914
                   +0 :               0.00002522382395
                   +1 :              -0.00001571819722
                   +2 :               0.00002536548100
             11 vec=    -5.396061    -14.852098     -2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00002803247976
                2p
                   -1 :              -0.00003678978473
                   +0 :               0.00005478444144
                   +1 :               0.00000685811051
                3s
                   +0 :              -0.00017809921980
                4s
                   +0 :               0.00004355976723
                3p
                   -1 :               0.00016068003990
                   +0 :              -0.00023098405425
                   +1 :              -0.00006124229126
                4p
                   -1 :              -0.00005948047260
                   +0 :               0.00005187153916
                   +1 :               0.00001729733828
                3d
                   -2 :               0.00002375223294
                   -1 :               0.00003745800470
                   +0 :               0.00001582332807
                   +1 :               0.00001191223316
                   +2 :              -0.00000378545916
             12 vec=    10.164264     12.099176     -2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00004385958109
                2p
                   -1 :              -0.00002384191147
                   +0 :              -0.00003320842848
                   +1 :              -0.00006802880865
                3s
                   +0 :               0.00013907992541
                4s
                   +0 :              -0.00013130757739
                3p
                   -1 :               0.00008097108055
                   +0 :               0.00018466375665
                   +1 :               0.00035286259089
                4p
                   -1 :              -0.00005399663267
                   +0 :              -0.00001372430896
                   +1 :              -0.00012302375560
                3d
                   -2 :               0.00005960112028
                   -1 :               0.00006188733275
                   +0 :              -0.00001175257380
                   +1 :              -0.00006009012131
                   +2 :               0.00001789575356
             13 vec=   -13.176224    -10.360219     -2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00004010594006
                2p
                   -1 :               0.00003101329583
                   +0 :               0.00002586447206
                   +1 :               0.00001573047120
                3s
                   +0 :               0.00005846394620
                4s
                   +0 :              -0.00005034913710
                3p
                   -1 :              -0.00011438159140
                   +0 :              -0.00010750024283
                   +1 :              -0.00009190396460
                4p
                   -1 :               0.00002954331783
                   +0 :               0.00003739000849
                   +1 :               0.00003353996355
                3d
                   -2 :              -0.00000277341376
                   -1 :              -0.00001877597488
                   +0 :              -0.00000562856366
                   +1 :               0.00002980943507
                   +2 :              -0.00000321711185
             14 vec=     2.384101     16.591055     -2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00002409466858
                2p
                   -1 :               0.00000052236242
                   +0 :              -0.00001730701494
                   +1 :               0.00000311612098
                3s
                   +0 :               0.00024198435900
                4s
                   +0 :              -0.00011826218342
                3p
                   -1 :               0.00006854682777
                   +0 :               0.00003193757728
                   +1 :              -0.00001442311034
                4p
                   -1 :              -0.00004817454522
                   +0 :              -0.00001682945125
                   +1 :               0.00002348959387
                3d
                   -2 :              -0.00000923520141
                   -1 :              -0.00002273009999
                   +0 :               0.00003739369047
                   +1 :               0.00000923259333
                   +2 :              -0.00004048364162
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al( 11)  npairs=  13
              1 vec=     2.384101     -1.376461      9.763130   |vec|=   10.143831
                2s
                   +0 :               0.00028043952888
                2p
                   -1 :              -0.00008021775979
                   +0 :              -0.00000784885213
                   +1 :              -0.00010286947098
                3s
                   +0 :              -0.00083394408061
                4s
                   +0 :               0.00025976580984
                3p
                   -1 :              -0.00009866651219
                   +0 :              -0.00001119168564
                   +1 :               0.00084919862043
                4p
                   -1 :              -0.00007141189823
                   +0 :               0.00006186145844
                   +1 :              -0.00026248276356
                3d
                   -2 :               0.00035729950002
                   -1 :              -0.00009534887167
                   +0 :               0.00014461890246
                   +1 :               0.00013648736876
                   +2 :               0.00003862194911
              2 vec=    -5.396061      3.115418      9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00000224529726
                2p
                   -1 :               0.00031127197652
                   +0 :              -0.00010549861473
                   +1 :              -0.00008770222781
                3s
                   +0 :               0.00027476005438
                4s
                   +0 :              -0.00026231394671
                3p
                   -1 :              -0.00151822354223
                   +0 :               0.00074454389274
                   +1 :               0.00048334960990
                4p
                   -1 :               0.00045505029312
                   +0 :              -0.00017058417895
                   +1 :              -0.00012942245590
                3d
                   -2 :              -0.00005295941928
                   -1 :              -0.00023594720059
                   +0 :               0.00030679739452
                   +1 :              -0.00008328443594
                   +2 :              -0.00023425722438
              3 vec=    -5.396061     -5.868340      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00010019832446
                2p
                   -1 :               0.00003285811695
                   +0 :              -0.00005684031208
                   +1 :               0.00023569955137
                3s
                   +0 :              -0.00199598288438
                4s
                   +0 :               0.00017291618748
                3p
                   -1 :               0.00061900310965
                   +0 :              -0.00016294155933
                   +1 :               0.00058748764302
                4p
                   -1 :              -0.00000665464554
                   +0 :              -0.00013228930851
                   +1 :               0.00007245532870
                3d
                   -2 :              -0.00024230676409
                   -1 :               0.00011336772626
                   +0 :               0.00026971963885
                   +1 :               0.00003603271573
                   +2 :              -0.00033323865799
              4 vec=     2.384101      7.607297      9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00002213838482
                2p
                   -1 :               0.00006352210613
                   +0 :               0.00003069364310
                   +1 :               0.00017978793499
                3s
                   +0 :               0.00079601068116
                4s
                   +0 :              -0.00017517149952
                3p
                   -1 :               0.00033624888783
                   +0 :              -0.00001762159697
                   +1 :              -0.00090404551758
                4p
                   -1 :               0.00000823876426
                   +0 :               0.00002079686628
                   +1 :               0.00042754151100
                3d
                   -2 :               0.00004738569278
                   -1 :              -0.00011230352244
                   +0 :              -0.00009522239255
                   +1 :               0.00003771915277
                   +2 :               0.00007050709849
              5 vec=     2.384101    -10.360219      9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00019145218270
                2p
                   -1 :              -0.00005694125025
                   +0 :               0.00005525048405
                   +1 :               0.00001169169898
                3s
                   +0 :              -0.00059393733194
                4s
                   +0 :               0.00015733829198
                3p
                   -1 :               0.00027538008835
                   +0 :              -0.00027324899917
                   +1 :              -0.00010844448640
                4p
                   -1 :              -0.00004431840593
                   +0 :               0.00006579732845
                   +1 :              -0.00002356124553
                3d
                   -2 :               0.00003584930232
                   -1 :               0.00006992923992
                   +0 :               0.00002897741974
                   +1 :              -0.00002474870497
                   +2 :              -0.00003194853416
              6 vec=    10.164264      3.115418      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00003822900887
                2p
                   -1 :               0.00015521573357
                   +0 :              -0.00002823912872
                   +1 :              -0.00007065415691
                3s
                   +0 :               0.00012885037360
                4s
                   +0 :               0.00002261451186
                3p
                   -1 :              -0.00095153821160
                   +0 :               0.00021249382807
                   +1 :               0.00027473021107
                4p
                   -1 :               0.00020111012946
                   +0 :              -0.00006918820448
                   +1 :               0.00001783003745
                3d
                   -2 :              -0.00018213052792
                   -1 :              -0.00019061752417
                   +0 :              -0.00001459906741
                   +1 :               0.00009652996484
                   +2 :               0.00011459489499
              7 vec=     2.384101     -1.376461    -14.784412   |vec|=   15.038531
                2s
                   +0 :              -0.00007884036064
                2p
                   -1 :               0.00002065644830
                   +0 :               0.00003532055748
                   +1 :              -0.00003359694725
                3s
                   +0 :               0.00019777314870
                4s
                   +0 :              -0.00010653777879
                3p
                   -1 :              -0.00012322378001
                   +0 :              -0.00013894257246
                   +1 :               0.00025374577024
                4p
                   -1 :               0.00003876450102
                   +0 :               0.00005196541349
                   +1 :              -0.00004354073771
                3d
                   -2 :               0.00003885996538
                   -1 :               0.00002029263611
                   +0 :               0.00001804788016
                   +1 :              -0.00002982689626
                   +2 :              -0.00001327883554
              8 vec=    10.164264     -5.868340      9.763130   |vec|=   15.266578
                2s
                   +0 :              -0.00009542001707
                2p
                   -1 :               0.00003848035005
                   +0 :              -0.00005507290967
                   +1 :              -0.00002160864383
                3s
                   +0 :               0.00042280404792
                4s
                   +0 :              -0.00008378802930
                3p
                   -1 :              -0.00027558866477
                   +0 :               0.00030063346655
                   +1 :               0.00019526033748
                4p
                   -1 :               0.00010008464444
                   +0 :              -0.00004534636411
                   +1 :               0.00000016619042
                3d
                   -2 :              -0.00007479013432
                   -1 :              -0.00008308645082
                   +0 :               0.00000756112809
                   +1 :               0.00012654961259
                   +2 :              -0.00000934003113
              9 vec=    -5.396061      3.115418    -14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00003126005368
                2p
                   -1 :              -0.00006364972336
                   +0 :               0.00002617037392
                   +1 :               0.00001442529004
                3s
                   +0 :               0.00022168364063
                4s
                   +0 :              -0.00011547927855
                3p
                   -1 :               0.00034122634953
                   +0 :              -0.00021724803505
                   +1 :              -0.00005663930367
                4p
                   -1 :              -0.00007945153391
                   +0 :               0.00006206027798
                   +1 :               0.00002540089995
                3d
                   -2 :               0.00003113203536
                   -1 :              -0.00005037561298
                   +0 :               0.00004792948775
                   +1 :               0.00005456481166
                   +2 :              -0.00000504577930
             10 vec=   -13.176224     -1.376461      9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00003798771466
                2p
                   -1 :              -0.00001273511284
                   +0 :              -0.00000622582063
                   +1 :               0.00001387936521
                3s
                   +0 :              -0.00010500981489
                4s
                   +0 :               0.00001943312306
                3p
                   -1 :               0.00006952092957
                   +0 :               0.00008229918393
                   +1 :              -0.00005532249149
                4p
                   -1 :              -0.00003329317884
                   +0 :              -0.00001863211897
                   +1 :               0.00003043302348
                3d
                   -2 :              -0.00006916372532
                   -1 :               0.00000538691152
                   +0 :               0.00003854905314
                   +1 :              -0.00002863707089
                   +2 :               0.00002953117462
             11 vec=    -5.396061     12.099176      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00002290619110
                2p
                   -1 :               0.00001339379025
                   +0 :              -0.00001007271325
                   +1 :               0.00000422679616
                3s
                   +0 :               0.00026420514212
                4s
                   +0 :              -0.00009078649384
                3p
                   -1 :               0.00006834874273
                   +0 :               0.00012775126432
                   +1 :              -0.00005120698902
                4p
                   -1 :              -0.00002462678172
                   +0 :              -0.00005374303827
                   +1 :               0.00003695055992
                3d
                   -2 :               0.00003820017208
                   -1 :               0.00001626320878
                   +0 :              -0.00001477081972
                   +1 :               0.00002042732298
                   +2 :              -0.00002269306461
             12 vec=    -5.396061     -5.868340    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00005931621389
                2p
                   -1 :              -0.00002729835054
                   +0 :              -0.00001874696452
                   +1 :               0.00002681883271
                3s
                   +0 :              -0.00017733274151
                4s
                   +0 :               0.00004024284301
                3p
                   -1 :               0.00010578261813
                   +0 :               0.00001416627096
                   +1 :              -0.00015434717971
                4p
                   -1 :              -0.00000624641846
                   +0 :              -0.00001119213396
                   +1 :               0.00002677948126
                3d
                   -2 :               0.00003455856660
                   -1 :               0.00001647555387
                   +0 :               0.00004026167821
                   +1 :               0.00003734786632
                   +2 :               0.00003998829249
             13 vec=     2.384101      7.607297    -14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00003416734363
                2p
                   -1 :               0.00003995090902
                   +0 :              -0.00000966552536
                   +1 :               0.00005315948618
                3s
                   +0 :               0.00006906784531
                4s
                   +0 :               0.00003971139044
                3p
                   -1 :              -0.00023508399200
                   +0 :               0.00012391753360
                   +1 :              -0.00017592809485
                4p
                   -1 :               0.00005882132651
                   +0 :              -0.00006943872089
                   +1 :               0.00004336094046
                3d
                   -2 :               0.00001357628999
                   -1 :               0.00007193935102
                   +0 :              -0.00009801890329
                   +1 :               0.00001427409702
                   +2 :               0.00005733582265
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site Al( 12)  npairs=  14
              1 vec=     2.384101     -1.376461      2.510804   |vec|=    3.725953
                2s
                   +0 :              -0.00879912369360
                2p
                   -1 :               0.00364159089225
                   +0 :              -0.01015778437443
                   +1 :              -0.00954542116353
                3s
                   +0 :              -0.02989651193131
                4s
                   +0 :              -0.00167955104652
                3p
                   -1 :              -0.01893134840398
                   +0 :              -0.03008144989810
                   +1 :              -0.02672029954177
                4p
                   -1 :               0.00494965096510
                   +0 :              -0.00298316985900
                   +1 :              -0.00147508437074
                3d
                   -2 :              -0.00575950022565
                   -1 :              -0.00430793031458
                   +0 :              -0.01263990777080
                   +1 :              -0.02517079588862
                   +2 :              -0.01975248386290
              2 vec=    -5.396061      3.115418      2.510804   |vec|=    6.717696
                2s
                   +0 :               0.00196725606211
                2p
                   -1 :               0.00054532812267
                   +0 :               0.00026771899786
                   +1 :              -0.00056820166941
                3s
                   +0 :              -0.01419647346082
                4s
                   +0 :               0.00456772707868
                3p
                   -1 :              -0.00453769983912
                   +0 :              -0.00646503244226
                   +1 :               0.00838930018213
                4p
                   -1 :               0.00091515889440
                   +0 :               0.00160757425917
                   +1 :              -0.00149443197184
                3d
                   -2 :              -0.00046731649948
                   -1 :              -0.00195064824174
                   +0 :              -0.00040491081408
                   +1 :               0.00023228041151
                   +2 :              -0.00174381190784
              3 vec=    -5.396061     -5.868340      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00087277003939
                2p
                   -1 :              -0.00020886363212
                   +0 :               0.00056276810331
                   +1 :              -0.00057424107904
                3s
                   +0 :              -0.00779917814775
                4s
                   +0 :               0.00118172696111
                3p
                   -1 :              -0.00067738078647
                   +0 :              -0.00762942910922
                   +1 :               0.00512394430976
                4p
                   -1 :               0.00014919261381
                   +0 :               0.00104039505392
                   +1 :              -0.00081810961678
                3d
                   -2 :               0.00085748845041
                   -1 :               0.00003724471502
                   +0 :              -0.00124647650494
                   +1 :               0.00202131377005
                   +2 :              -0.00123367843192
              4 vec=     2.384101      7.607297      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00116945937468
                2p
                   -1 :               0.00101797693305
                   +0 :              -0.00046281185875
                   +1 :               0.00069960454198
                3s
                   +0 :               0.00025265578150
                4s
                   +0 :               0.00120020550096
                3p
                   -1 :              -0.00515551582740
                   +0 :               0.00685841696007
                   +1 :              -0.00483247084458
                4p
                   -1 :               0.00202240555278
                   +0 :              -0.00067115728647
                   +1 :               0.00015003464807
                3d
                   -2 :              -0.00217609320846
                   -1 :               0.00141335368557
                   +0 :               0.00340747259746
                   +1 :              -0.00126812510660
                   +2 :               0.00103510345573
              5 vec=     2.384101    -10.360219      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00003589330159
                2p
                   -1 :              -0.00007082759197
                   +0 :               0.00004792483876
                   +1 :               0.00017930491342
                3s
                   +0 :              -0.00057060275683
                4s
                   +0 :               0.00005271807357
                3p
                   -1 :               0.00061456648963
                   +0 :              -0.00033705377639
                   +1 :              -0.00057657414886
                4p
                   -1 :              -0.00015675640129
                   +0 :               0.00003961318375
                   +1 :               0.00011596268069
                3d
                   -2 :               0.00032559645303
                   -1 :               0.00034338273974
                   +0 :               0.00025952050666
                   +1 :               0.00029694861303
                   +2 :               0.00005677741348
              6 vec=    10.164264      3.115418      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00033729867453
                2p
                   -1 :               0.00007538378310
                   +0 :               0.00015712217840
                   +1 :               0.00032466338548
                3s
                   +0 :               0.00012043254936
                4s
                   +0 :               0.00014610397931
                3p
                   -1 :              -0.00000911292738
                   +0 :              -0.00085262832110
                   +1 :              -0.00053243643912
                4p
                   -1 :               0.00008854885306
                   +0 :               0.00031171216417
                   +1 :               0.00014961145724
                3d
                   -2 :              -0.00006306936246
                   -1 :              -0.00003145369012
                   +0 :               0.00027591618956
                   +1 :              -0.00000666410592
                   +2 :              -0.00004513262358
              7 vec=    10.164264     -5.868340      2.510804   |vec|=   12.002242
                2s
                   +0 :              -0.00003210786480
                2p
                   -1 :               0.00009544652338
                   +0 :              -0.00017260986517
                   +1 :              -0.00006098473678
                3s
                   +0 :              -0.00011859231941
                4s
                   +0 :              -0.00018712265407
                3p
                   -1 :              -0.00019627486528
                   +0 :               0.00036767611946
                   +1 :               0.00027467389459
                4p
                   -1 :               0.00016173947406
                   +0 :              -0.00012501801009
                   +1 :              -0.00009669162910
                3d
                   -2 :              -0.00004944400586
                   -1 :               0.00018162012174
                   +0 :               0.00004587812846
                   +1 :               0.00006096098765
                   +2 :               0.00012724767454
              8 vec=   -13.176224     -1.376461      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00009403410482
                2p
                   -1 :               0.00011914082831
                   +0 :              -0.00002205696725
                   +1 :              -0.00009797270283
                3s
                   +0 :              -0.00029170506504
                4s
                   +0 :               0.00012716034038
                3p
                   -1 :              -0.00060236414323
                   +0 :               0.00001296427037
                   +1 :               0.00050765082923
                4p
                   -1 :               0.00015323763947
                   +0 :               0.00008943341568
                   +1 :              -0.00015757658262
                3d
                   -2 :               0.00020426328512
                   -1 :              -0.00010196032592
                   +0 :               0.00015689918318
                   +1 :              -0.00000423646878
                   +2 :              -0.00012528716870
              9 vec=    -5.396061     12.099176      2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00012139194376
                2p
                   -1 :              -0.00007160017268
                   +0 :              -0.00007748403959
                   +1 :              -0.00010857424198
                3s
                   +0 :               0.00156150014317
                4s
                   +0 :              -0.00038550599719
                3p
                   -1 :               0.00103331322644
                   +0 :               0.00113764495579
                   +1 :               0.00077296394887
                4p
                   -1 :              -0.00022933761833
                   +0 :              -0.00014675496359
                   +1 :              -0.00014553960067
                3d
                   -2 :               0.00011588703763
                   -1 :               0.00038069565692
                   +0 :               0.00028531948255
                   +1 :              -0.00001324118357
                   +2 :              -0.00028400520346
             10 vec=   -13.176224      7.607297      2.510804   |vec|=   15.420376
                2s
                   +0 :              -0.00006860519876
                2p
                   -1 :              -0.00003474465639
                   +0 :              -0.00003432072239
                   +1 :               0.00002630862015
                3s
                   +0 :               0.00032068113533
                4s
                   +0 :              -0.00010215300944
                3p
                   -1 :               0.00016105906022
                   +0 :               0.00022805272887
                   +1 :              -0.00013034068989
                4p
                   -1 :              -0.00004828181149
                   +0 :              -0.00006686925692
                   +1 :               0.00003795521152
                3d
                   -2 :              -0.00000013352044
                   -1 :              -0.00000217959153
                   +0 :              -0.00002937835016
                   +1 :              -0.00005274811933
                   +2 :              -0.00002297763123
             11 vec=    -5.396061    -14.852098      2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00001861862902
                2p
                   -1 :              -0.00005520097535
                   +0 :              -0.00004035307356
                   +1 :               0.00004985720399
                3s
                   +0 :              -0.00019859457641
                4s
                   +0 :               0.00012335953472
                3p
                   -1 :               0.00030441091724
                   +0 :               0.00013338456489
                   +1 :              -0.00017690501515
                4p
                   -1 :              -0.00012067480283
                   +0 :              -0.00001659824560
                   +1 :               0.00002892661222
                3d
                   -2 :              -0.00000558613136
                   -1 :              -0.00001584079921
                   +0 :              -0.00001504379386
                   +1 :              -0.00001216408819
                   +2 :               0.00003897507722
             12 vec=    10.164264     12.099176      2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00007359996226
                2p
                   -1 :              -0.00005854305131
                   +0 :               0.00002895000950
                   +1 :              -0.00005483158081
                3s
                   +0 :               0.00020515265701
                4s
                   +0 :              -0.00008752147593
                3p
                   -1 :               0.00018931437141
                   +0 :              -0.00019402974084
                   +1 :               0.00025231962783
                4p
                   -1 :              -0.00006920730700
                   +0 :               0.00003119962825
                   +1 :              -0.00007669846451
                3d
                   -2 :               0.00000497371995
                   -1 :              -0.00002334055377
                   +0 :              -0.00006194666860
                   +1 :              -0.00000454302566
                   +2 :               0.00003995085931
             13 vec=   -13.176224    -10.360219      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00003164379308
                2p
                   -1 :              -0.00001427970255
                   +0 :               0.00000241776050
                   +1 :              -0.00000310646886
                3s
                   +0 :              -0.00019358928773
                4s
                   +0 :               0.00007115040134
                3p
                   -1 :               0.00004239042450
                   +0 :              -0.00005874028028
                   +1 :               0.00004147423593
                4p
                   -1 :               0.00001328208481
                   +0 :               0.00000912939272
                   +1 :              -0.00003547650340
                3d
                   -2 :              -0.00001111200204
                   -1 :               0.00000976323905
                   +0 :              -0.00002258150410
                   +1 :               0.00001654479904
                   +2 :              -0.00000612291607
             14 vec=     2.384101     16.591055      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00006014623109
                2p
                   -1 :               0.00002515183057
                   +0 :               0.00002755063505
                   +1 :               0.00002099653898
                3s
                   +0 :              -0.00009967953376
                4s
                   +0 :               0.00005983344601
                3p
                   -1 :              -0.00009521894670
                   +0 :              -0.00008291576103
                   +1 :              -0.00004904391621
                4p
                   -1 :               0.00002667649098
                   +0 :               0.00003881875901
                   +1 :               0.00000545940839
                3d
                   -2 :               0.00000606647808
                   -1 :              -0.00001325848369
                   +0 :              -0.00001121882945
                   +1 :               0.00003555112044
                   +2 :              -0.00001005368397
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 13)  npairs=  14
              1 vec=     2.174555      1.739106     -4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00133125602202
                2s
                   +0 :               0.03464494642245
                3s
                   +0 :              -0.00283309513097
                2p
                   -1 :               0.00029636666738
                   +0 :              -0.02269740717275
                   +1 :               0.00964074941309
                3p
                   -1 :              -0.00554594294575
                   +0 :               0.00197146789851
                   +1 :               0.00004085402118
                3d
                   -2 :              -0.00009531124350
                   -1 :               0.00113993914192
                   +0 :               0.00154809525789
                   +1 :              -0.00122234725824
                   +2 :               0.00119342789055
              2 vec=    -5.605607     -2.752773     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00010784441742
                2s
                   +0 :              -0.00088839169180
                3s
                   +0 :               0.00065184912081
                2p
                   -1 :               0.00144271400311
                   +0 :              -0.00064061297169
                   +1 :               0.00226850263497
                3p
                   -1 :              -0.00152713880710
                   +0 :               0.00150814501636
                   +1 :              -0.00075748058874
                3d
                   -2 :               0.00010162450243
                   -1 :               0.00003557179875
                   +0 :              -0.00020870914601
                   +1 :               0.00020628584970
                   +2 :               0.00016879911095
              3 vec=     2.174555     -7.244652     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00020977944539
                2s
                   +0 :              -0.00035306906709
                3s
                   +0 :              -0.00017666878460
                2p
                   -1 :               0.00097727763128
                   +0 :              -0.00166913251284
                   +1 :               0.00073965166334
                3p
                   -1 :              -0.00035975967839
                   +0 :               0.00228646824868
                   +1 :              -0.00040824633450
                3d
                   -2 :              -0.00005154499927
                   -1 :              -0.00007573405668
                   +0 :              -0.00023608627395
                   +1 :              -0.00005109134937
                   +2 :              -0.00010511157147
              4 vec=    -5.605607      6.230985     -4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00062911811830
                2s
                   +0 :               0.00358140067515
                3s
                   +0 :              -0.00148670631767
                2p
                   -1 :               0.00038894380253
                   +0 :              -0.00185836150153
                   +1 :              -0.00297439822919
                3p
                   -1 :               0.00000671604533
                   +0 :              -0.00018615782569
                   +1 :               0.00190165571221
                3d
                   -2 :               0.00020775996484
                   -1 :               0.00011653608157
                   +0 :               0.00019347991585
                   +1 :               0.00004596449742
                   +2 :              -0.00007487509167
              5 vec=     9.954718     -2.752773     -4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00001984523609
                2s
                   +0 :              -0.00037896232567
                3s
                   +0 :               0.00010079384153
                2p
                   -1 :              -0.00006115515977
                   +0 :               0.00007586340088
                   +1 :              -0.00144418811331
                3p
                   -1 :              -0.00009128808800
                   +0 :              -0.00007782874218
                   +1 :               0.00114424740547
                3d
                   -2 :              -0.00003071501185
                   -1 :               0.00000950455549
                   +0 :              -0.00009681437714
                   +1 :              -0.00000582132914
                   +2 :               0.00007751087959
              6 vec=     2.174555     10.722864     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00009452373463
                2s
                   +0 :              -0.00026875088429
                3s
                   +0 :               0.00033598178492
                2p
                   -1 :              -0.00008663744909
                   +0 :               0.00000199140632
                   +1 :               0.00025354063955
                3p
                   -1 :               0.00044545472780
                   +0 :              -0.00003769379242
                   +1 :              -0.00025791317003
                3d
                   -2 :               0.00008335820949
                   -1 :               0.00000793175911
                   +0 :              -0.00008579364097
                   +1 :              -0.00005138030028
                   +2 :              -0.00010128539711
              7 vec=     9.954718      6.230985     -4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00001744730160
                2s
                   +0 :               0.00031708134925
                3s
                   +0 :              -0.00007330213547
                2p
                   -1 :               0.00007635073810
                   +0 :              -0.00005132197468
                   +1 :               0.00069863060194
                3p
                   -1 :              -0.00001991762168
                   +0 :               0.00028551719370
                   +1 :              -0.00061109755597
                3d
                   -2 :               0.00000563820274
                   -1 :               0.00001978678019
                   +0 :               0.00000027511965
                   +1 :               0.00005331585690
                   +2 :              -0.00004666616892
              8 vec=    -5.605607    -11.736531     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00000116954065
                2s
                   +0 :              -0.00038774554781
                3s
                   +0 :              -0.00013109608415
                2p
                   -1 :               0.00002555961852
                   +0 :               0.00038285400435
                   +1 :               0.00023747765351
                3p
                   -1 :               0.00028049031117
                   +0 :               0.00013089524669
                   +1 :              -0.00014056999003
                3d
                   -2 :              -0.00001988939889
                   -1 :              -0.00003025403327
                   +0 :               0.00000078476140
                   +1 :              -0.00000076877963
                   +2 :               0.00002069320652
              9 vec=   -13.385770      1.739106     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00001577265214
                2s
                   +0 :               0.00017191878391
                3s
                   +0 :              -0.00001513960742
                2p
                   -1 :              -0.00012302641744
                   +0 :               0.00007652597486
                   +1 :              -0.00000056697945
                3p
                   -1 :               0.00007402244273
                   +0 :              -0.00009159149801
                   +1 :              -0.00014811900422
                3d
                   -2 :               0.00000106544517
                   -1 :               0.00000820057141
                   +0 :              -0.00001277930676
                   +1 :               0.00000644574397
                   +2 :               0.00002173701564
             10 vec=   -13.385770     -7.244652     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000220140243
                2s
                   +0 :              -0.00002253387699
                3s
                   +0 :              -0.00003246303204
                2p
                   -1 :               0.00004932558417
                   +0 :              -0.00001216342126
                   +1 :               0.00009007034216
                3p
                   -1 :              -0.00005261932346
                   +0 :               0.00006224280476
                   +1 :               0.00001205632001
                3d
                   -2 :               0.00000172593262
                   -1 :               0.00000008310069
                   +0 :               0.00000137668845
                   +1 :               0.00000406108458
                   +2 :              -0.00000536310045
             11 vec=     9.954718    -11.736531     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00005378649787
                2s
                   +0 :              -0.00041446285043
                3s
                   +0 :               0.00014809691408
                2p
                   -1 :               0.00015528962307
                   +0 :               0.00011400404649
                   +1 :              -0.00025986977292
                3p
                   -1 :              -0.00003472978215
                   +0 :              -0.00010268640606
                   +1 :               0.00013838057079
                3d
                   -2 :              -0.00000346846804
                   -1 :               0.00000137087228
                   +0 :               0.00000678995280
                   +1 :              -0.00001213999611
                   +2 :               0.00001107228024
             12 vec=    -5.605607     15.214743     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00001274038855
                2s
                   +0 :               0.00011143463902
                3s
                   +0 :              -0.00002439905557
                2p
                   -1 :               0.00026578847833
                   +0 :              -0.00010016172402
                   +1 :              -0.00037508450608
                3p
                   -1 :              -0.00017430814329
                   +0 :               0.00003591924132
                   +1 :               0.00029774028285
                3d
                   -2 :               0.00001856533260
                   -1 :               0.00000512640930
                   +0 :               0.00001030076057
                   +1 :              -0.00000790172553
                   +2 :               0.00001420006944
             13 vec=     2.174555    -16.228410     -4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00002202740603
                2s
                   +0 :              -0.00014285776807
                3s
                   +0 :               0.00006169772279
                2p
                   -1 :               0.00008998340326
                   +0 :               0.00007597733562
                   +1 :              -0.00008732925672
                3p
                   -1 :              -0.00001375331141
                   +0 :              -0.00002493501478
                   +1 :               0.00004778493479
                3d
                   -2 :              -0.00000850457721
                   -1 :               0.00000353809314
                   +0 :              -0.00000044148390
                   +1 :              -0.00000555214410
                   +2 :              -0.00000147310726
             14 vec=   -13.385770     10.722864     -4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000059725093
                2s
                   +0 :              -0.00000300146734
                3s
                   +0 :               0.00000559448161
                2p
                   -1 :               0.00000594177663
                   +0 :               0.00001745535980
                   +1 :               0.00005635568570
                3p
                   -1 :               0.00000255002008
                   +0 :              -0.00003023695265
                   +1 :              -0.00009205975903
                3d
                   -2 :               0.00000104452044
                   -1 :               0.00000365113340
                   +0 :              -0.00000760460024
                   +1 :              -0.00000023537413
                   +2 :               0.00001132386611
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 14)  npairs=  14
              1 vec=    -2.593128      1.739106     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00060252163388
                2s
                   +0 :               0.01613987086959
                3s
                   +0 :               0.00331967519982
                2p
                   -1 :              -0.00363578520511
                   +0 :              -0.01413290174084
                   +1 :              -0.00261911335205
                3p
                   -1 :               0.00068128638643
                   +0 :              -0.00114599504571
                   +1 :              -0.00625039935162
                3d
                   -2 :               0.00000772598542
                   -1 :               0.00017488182341
                   +0 :               0.00126096170011
                   +1 :               0.00183067241618
                   +2 :               0.00080672344595
              2 vec=     5.187034     -2.752773     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00110893491589
                2s
                   +0 :              -0.00753720109755
                3s
                   +0 :               0.00381544742379
                2p
                   -1 :               0.00687474124153
                   +0 :               0.00178077105453
                   +1 :              -0.00418182958880
                3p
                   -1 :              -0.00644633765187
                   +0 :              -0.00082760455320
                   +1 :               0.00208856057362
                3d
                   -2 :              -0.00038422577308
                   -1 :               0.00003206749220
                   +0 :              -0.00014440185396
                   +1 :              -0.00019243018145
                   +2 :               0.00011344251405
              3 vec=    -2.593128     -7.244652     -4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00004715231538
                2s
                   +0 :               0.00102396786230
                3s
                   +0 :              -0.00068757298214
                2p
                   -1 :               0.00132194472539
                   +0 :              -0.00039932483659
                   +1 :               0.00045188341338
                3p
                   -1 :              -0.00073223949943
                   +0 :               0.00019371096560
                   +1 :              -0.00036580609161
                3d
                   -2 :               0.00008213696186
                   -1 :               0.00007733079029
                   +0 :              -0.00000433146211
                   +1 :              -0.00004076516049
                   +2 :              -0.00008574239857
              4 vec=     5.187034      6.230985     -4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00017761813035
                2s
                   +0 :               0.00059752300635
                3s
                   +0 :              -0.00029011522939
                2p
                   -1 :              -0.00232992275987
                   +0 :              -0.00392479151022
                   +1 :               0.00056910543357
                3p
                   -1 :               0.00185065505148
                   +0 :               0.00202192079892
                   +1 :               0.00031175029328
                3d
                   -2 :               0.00000666970162
                   -1 :              -0.00004791773003
                   +0 :              -0.00000557707581
                   +1 :               0.00009390011077
                   +2 :              -0.00005939342694
              5 vec=   -10.373291     -2.752773     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00004519917049
                2s
                   +0 :               0.00009196756011
                3s
                   +0 :              -0.00015095537964
                2p
                   -1 :              -0.00008787816444
                   +0 :              -0.00029556175729
                   +1 :               0.00013547738779
                3p
                   -1 :              -0.00005026141424
                   +0 :               0.00023566415693
                   +1 :               0.00002908006532
                3d
                   -2 :               0.00000261314061
                   -1 :               0.00001443502067
                   +0 :              -0.00003132336720
                   +1 :              -0.00005927302032
                   +2 :              -0.00002759161184
              6 vec=    -2.593128     10.722864     -4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00003338178527
                2s
                   +0 :               0.00046488951633
                3s
                   +0 :              -0.00003369171904
                2p
                   -1 :              -0.00005657572629
                   +0 :              -0.00109964212899
                   +1 :               0.00115261525346
                3p
                   -1 :               0.00024931442070
                   +0 :               0.00075419185319
                   +1 :              -0.00109375507218
                3d
                   -2 :              -0.00009631941510
                   -1 :               0.00006141491196
                   +0 :               0.00007819405305
                   +1 :              -0.00005097072946
                   +2 :              -0.00004235517605
              7 vec=   -10.373291      6.230985     -4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00001971367840
                2s
                   +0 :               0.00036090759514
                3s
                   +0 :              -0.00007613418684
                2p
                   -1 :               0.00005312823931
                   +0 :               0.00046582809895
                   +1 :               0.00011119051281
                3p
                   -1 :              -0.00000296847574
                   +0 :              -0.00035121116883
                   +1 :              -0.00007703251765
                3d
                   -2 :               0.00001674296946
                   -1 :              -0.00001538681169
                   +0 :               0.00002363775837
                   +1 :              -0.00000374259268
                   +2 :              -0.00004754995661
              8 vec=     5.187034    -11.736531     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00007654800012
                2s
                   +0 :              -0.00099787721436
                3s
                   +0 :               0.00011027265350
                2p
                   -1 :               0.00059526478501
                   +0 :               0.00079203760508
                   +1 :               0.00009853731926
                3p
                   -1 :              -0.00034362344098
                   +0 :              -0.00017533273114
                   +1 :              -0.00008567171088
                3d
                   -2 :               0.00001237662770
                   -1 :              -0.00000163966354
                   +0 :              -0.00002599244450
                   +1 :              -0.00000174453684
                   +2 :               0.00001876065998
              9 vec=    12.967197      1.739106     -4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00004846263477
                2s
                   +0 :              -0.00022940881804
                3s
                   +0 :               0.00017326085637
                2p
                   -1 :               0.00001461668813
                   +0 :               0.00009240857064
                   +1 :              -0.00004321191669
                3p
                   -1 :              -0.00006033643801
                   +0 :              -0.00006767542077
                   +1 :               0.00013880638938
                3d
                   -2 :               0.00000142323794
                   -1 :               0.00000739578827
                   +0 :               0.00000098642351
                   +1 :              -0.00000616137111
                   +2 :               0.00003032708168
             10 vec=    12.967197     -7.244652     -4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00002935538979
                2s
                   +0 :              -0.00022793444088
                3s
                   +0 :               0.00005903498028
                2p
                   -1 :              -0.00005398326749
                   +0 :               0.00009901016417
                   +1 :              -0.00022493458781
                3p
                   -1 :               0.00003185081090
                   +0 :              -0.00003459168950
                   +1 :               0.00009033221183
                3d
                   -2 :               0.00000747661494
                   -1 :              -0.00000139429432
                   +0 :               0.00000245825341
                   +1 :              -0.00000523381562
                   +2 :               0.00000013877147
             11 vec=   -10.373291    -11.736531     -4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00001118323240
                2s
                   +0 :              -0.00001192855858
                3s
                   +0 :              -0.00004007994713
                2p
                   -1 :               0.00004842477873
                   +0 :               0.00002981386149
                   +1 :               0.00001080369120
                3p
                   -1 :               0.00000425888265
                   +0 :               0.00000721393105
                   +1 :               0.00005522747594
                3d
                   -2 :               0.00000249572475
                   -1 :               0.00000405379009
                   +0 :               0.00000902949113
                   +1 :              -0.00000247912479
                   +2 :              -0.00000099173243
             12 vec=     5.187034     15.214743     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00004793546420
                2s
                   +0 :               0.00032551615460
                3s
                   +0 :              -0.00010426130039
                2p
                   -1 :               0.00023994348551
                   +0 :               0.00007608977046
                   +1 :               0.00009353747737
                3p
                   -1 :              -0.00004372434817
                   +0 :              -0.00016287658624
                   +1 :              -0.00000897304217
                3d
                   -2 :              -0.00000790895617
                   -1 :              -0.00001353156290
                   +0 :              -0.00000454608397
                   +1 :               0.00000691591445
                   +2 :              -0.00000861733963
             13 vec=    -2.593128    -16.228410     -4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00001882534708
                2s
                   +0 :              -0.00011389758320
                3s
                   +0 :               0.00004959158162
                2p
                   -1 :               0.00010099215569
                   +0 :               0.00004902644212
                   +1 :               0.00003714181623
                3p
                   -1 :              -0.00004927458636
                   +0 :               0.00002733423852
                   +1 :              -0.00000674571514
                3d
                   -2 :              -0.00000124359028
                   -1 :              -0.00000217262532
                   +0 :              -0.00000354379828
                   +1 :               0.00000783609132
                   +2 :               0.00000293230450
             14 vec=    12.967197     10.722864     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00001547308114
                2s
                   +0 :               0.00009596585993
                3s
                   +0 :              -0.00004460016923
                2p
                   -1 :               0.00007727592192
                   +0 :               0.00004102612008
                   +1 :               0.00001176929226
                3p
                   -1 :              -0.00003109169292
                   +0 :              -0.00006888411820
                   +1 :               0.00002484553812
                3d
                   -2 :               0.00000302006764
                   -1 :              -0.00000190718030
                   +0 :               0.00000170749895
                   +1 :               0.00000106822993
                   +2 :              -0.00000731092041
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 15)  npairs=  14
              1 vec=    -0.209286     -3.115717     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00122060980766
                2s
                   +0 :              -0.03796696406537
                3s
                   +0 :               0.00153685668018
                2p
                   -1 :               0.01358206899277
                   +0 :               0.02689370730182
                   +1 :              -0.00197869680770
                3p
                   -1 :               0.00322541714612
                   +0 :               0.00002905487360
                   +1 :               0.00286655343597
                3d
                   -2 :              -0.00003853989679
                   -1 :              -0.00180824019092
                   +0 :              -0.00122000320701
                   +1 :               0.00069425867672
                   +2 :               0.00039111577977
              2 vec=    -0.209286      5.868041     -4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00134991107598
                2s
                   +0 :               0.01217763301839
                3s
                   +0 :              -0.00593337986223
                2p
                   -1 :               0.01565678335714
                   +0 :              -0.01270273965680
                   +1 :              -0.00037337825387
                3p
                   -1 :              -0.01165204637908
                   +0 :               0.00855503385004
                   +1 :               0.00106062636703
                3d
                   -2 :               0.00007211039445
                   -1 :               0.00128632780859
                   +0 :              -0.00062219759404
                   +1 :              -0.00001753817383
                   +2 :               0.00064783626973
              3 vec=     7.570876      1.376162     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00008396435921
                2s
                   +0 :              -0.00054560926367
                3s
                   +0 :               0.00031268852011
                2p
                   -1 :              -0.00099702479025
                   +0 :               0.00081237927807
                   +1 :               0.00181095479333
                3p
                   -1 :               0.00059801828516
                   +0 :              -0.00024967988661
                   +1 :              -0.00124878439299
                3d
                   -2 :              -0.00002855462338
                   -1 :               0.00002316570693
                   +0 :              -0.00007078301101
                   +1 :               0.00006899237803
                   +2 :              -0.00013547849747
              4 vec=    -7.989449      1.376162     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00018975202177
                2s
                   +0 :              -0.00112680910205
                3s
                   +0 :               0.00053989822234
                2p
                   -1 :               0.00115914111748
                   +0 :               0.00069270258727
                   +1 :              -0.00126805737123
                3p
                   -1 :              -0.00132036639964
                   +0 :              -0.00028455171946
                   +1 :               0.00058585531562
                3d
                   -2 :               0.00007701942679
                   -1 :              -0.00000045115755
                   +0 :               0.00003008022295
                   +1 :              -0.00016592271195
                   +2 :              -0.00007413865336
              5 vec=     7.570876     -7.607596     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00007871256306
                2s
                   +0 :               0.00018452426048
                3s
                   +0 :              -0.00050617106182
                2p
                   -1 :              -0.00080970365945
                   +0 :              -0.00002679034304
                   +1 :              -0.00042391311261
                3p
                   -1 :               0.00108724590553
                   +0 :               0.00042761984637
                   +1 :              -0.00020640264158
                3d
                   -2 :               0.00007298821481
                   -1 :               0.00002680878105
                   +0 :               0.00005048646463
                   +1 :               0.00006653405784
                   +2 :               0.00001431288985
              6 vec=    -7.989449     -7.607596     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00004588177599
                2s
                   +0 :              -0.00051052982096
                3s
                   +0 :               0.00006523440432
                2p
                   -1 :               0.00055114298293
                   +0 :               0.00042155623433
                   +1 :               0.00064321758432
                3p
                   -1 :              -0.00047795705821
                   +0 :              -0.00031895842557
                   +1 :              -0.00035380101407
                3d
                   -2 :              -0.00000157085899
                   -1 :               0.00001942428940
                   +0 :               0.00004315149150
                   +1 :               0.00000781917635
                   +2 :               0.00000825066913
              7 vec=    -0.209286    -12.099475     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00002499128048
                2s
                   +0 :              -0.00021288568063
                3s
                   +0 :              -0.00008920286191
                2p
                   -1 :              -0.00029566214212
                   +0 :              -0.00006371465635
                   +1 :              -0.00026200497683
                3p
                   -1 :               0.00047675719179
                   +0 :               0.00026066182729
                   +1 :               0.00016980119100
                3d
                   -2 :               0.00000767431238
                   -1 :              -0.00000386425326
                   +0 :               0.00000795586796
                   +1 :               0.00000202064691
                   +2 :               0.00001967169980
              8 vec=     7.570876     10.359920     -4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00000905426449
                2s
                   +0 :               0.00031537113568
                3s
                   +0 :               0.00014647316316
                2p
                   -1 :              -0.00008119383879
                   +0 :              -0.00019280158355
                   +1 :              -0.00024795922794
                3p
                   -1 :               0.00005802702193
                   +0 :              -0.00015141005320
                   +1 :               0.00038908919666
                3d
                   -2 :               0.00002379270964
                   -1 :              -0.00001197299268
                   +0 :               0.00004165572406
                   +1 :              -0.00004795627196
                   +2 :               0.00005153327017
              9 vec=    -7.989449     10.359920     -4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00013426433445
                2s
                   +0 :              -0.00048360112121
                3s
                   +0 :               0.00044606940916
                2p
                   -1 :               0.00046467344317
                   +0 :               0.00013178886706
                   +1 :              -0.00032620520682
                3p
                   -1 :              -0.00043857165044
                   +0 :              -0.00016119240344
                   +1 :               0.00025124155782
                3d
                   -2 :               0.00001979698725
                   -1 :               0.00000785399828
                   +0 :               0.00001640409696
                   +1 :              -0.00002068377085
                   +2 :              -0.00000539709830
             10 vec=    -0.209286     14.851799     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00000954925066
                2s
                   +0 :              -0.00000428647256
                3s
                   +0 :               0.00012045981497
                2p
                   -1 :              -0.00003709373609
                   +0 :               0.00005388789787
                   +1 :              -0.00013252443719
                3p
                   -1 :               0.00012758530014
                   +0 :              -0.00009358250201
                   +1 :               0.00011081404497
                3d
                   -2 :               0.00001751720090
                   -1 :              -0.00001443572046
                   +0 :              -0.00001069767188
                   +1 :              -0.00001014769268
                   +2 :              -0.00001283922007
             11 vec=    15.351039     -3.115717     -4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000597364076
                2s
                   +0 :               0.00000074954547
                3s
                   +0 :              -0.00005310263301
                2p
                   -1 :              -0.00002218626529
                   +0 :               0.00011588243946
                   +1 :               0.00014821767190
                3p
                   -1 :              -0.00002419290385
                   +0 :              -0.00006036211121
                   +1 :              -0.00018940157428
                3d
                   -2 :               0.00000277552801
                   -1 :              -0.00000686625680
                   +0 :               0.00000655797758
                   +1 :               0.00000086036184
                   +2 :              -0.00002187693148
             12 vec=   -15.769612     -3.115717     -4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00001267950762
                2s
                   +0 :              -0.00010679991478
                3s
                   +0 :               0.00003235253221
                2p
                   -1 :              -0.00003192678445
                   +0 :               0.00003353604398
                   +1 :              -0.00000400118630
                3p
                   -1 :              -0.00001048767974
                   +0 :              -0.00001414850701
                   +1 :               0.00003781320205
                3d
                   -2 :               0.00000419630263
                   -1 :              -0.00000137703351
                   +0 :               0.00000208317666
                   +1 :               0.00000477503671
                   +2 :              -0.00000096353148
             13 vec=    15.351039      5.868041     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00000905783548
                2s
                   +0 :              -0.00005437110311
                3s
                   +0 :               0.00005125625663
                2p
                   -1 :              -0.00003304372702
                   +0 :              -0.00004210993546
                   +1 :              -0.00008215297043
                3p
                   -1 :               0.00003756775408
                   +0 :               0.00001301887435
                   +1 :               0.00010564731406
                3d
                   -2 :               0.00000208353216
                   -1 :               0.00000243735640
                   +0 :               0.00000085306407
                   +1 :              -0.00000219721839
                   +2 :               0.00000869690959
             14 vec=   -15.769612      5.868041     -4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00001473560548
                2s
                   +0 :               0.00012410110694
                3s
                   +0 :              -0.00003945673178
                2p
                   -1 :               0.00006556165186
                   +0 :              -0.00004671559600
                   +1 :              -0.00006459985331
                3p
                   -1 :              -0.00003610127242
                   +0 :               0.00000236911040
                   +1 :               0.00003572911124
                3d
                   -2 :              -0.00000250081191
                   -1 :               0.00000043039879
                   +0 :               0.00000115605287
                   +1 :               0.00000015397267
                   +2 :               0.00000359118411
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 16)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00004742557463
                2s
                   +0 :              -0.00020666287538
                3s
                   +0 :               0.00037677625877
                2p
                   -1 :              -0.00212358579808
                   +0 :               0.00068367527482
                   +1 :               0.00225023022465
                3p
                   -1 :               0.00192643906398
                   +0 :              -0.00049216817124
                   +1 :              -0.00144139675331
                3d
                   -2 :              -0.00013401326026
                   -1 :               0.00016764650437
                   +0 :              -0.00009442200832
                   +1 :              -0.00000933921618
                   +2 :              -0.00002233790125
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00013832779493
                2s
                   +0 :              -0.00181617428894
                3s
                   +0 :              -0.00017724898308
                2p
                   -1 :               0.00109128934181
                   +0 :              -0.00348196622291
                   +1 :               0.00171699868535
                3p
                   -1 :              -0.00003534709123
                   +0 :               0.00037176368790
                   +1 :               0.00020100533958
                3d
                   -2 :              -0.00006248921626
                   -1 :               0.00013343214620
                   +0 :              -0.00005388107445
                   +1 :               0.00016813457794
                   +2 :              -0.00001543639213
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00029261795951
                2s
                   +0 :               0.00252449187506
                3s
                   +0 :              -0.00054844736179
                2p
                   -1 :              -0.00368662635809
                   +0 :               0.00221563683444
                   +1 :               0.00157693622731
                3p
                   -1 :               0.00220121679028
                   +0 :              -0.00084107357147
                   +1 :              -0.00047393381180
                3d
                   -2 :              -0.00002600797386
                   -1 :               0.00009542956524
                   +0 :               0.00007109135464
                   +1 :              -0.00001691946686
                   +2 :              -0.00004041512160
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00000764100196
                2s
                   +0 :               0.00001799392209
                3s
                   +0 :               0.00004431962318
                2p
                   -1 :               0.00030573094218
                   +0 :              -0.00001209204298
                   +1 :              -0.00020971900521
                3p
                   -1 :              -0.00027624655897
                   +0 :              -0.00011130285224
                   +1 :               0.00007137845500
                3d
                   -2 :               0.00001857322875
                   -1 :              -0.00001625925309
                   +0 :               0.00001655693470
                   +1 :               0.00000831532448
                   +2 :               0.00002264826623
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000964363853
                2s
                   +0 :               0.00016359913412
                3s
                   +0 :              -0.00003441272865
                2p
                   -1 :               0.00001299162970
                   +0 :              -0.00019307813792
                   +1 :               0.00037707636313
                3p
                   -1 :              -0.00003834398087
                   +0 :               0.00020808523876
                   +1 :              -0.00032968978527
                3d
                   -2 :              -0.00002203846090
                   -1 :               0.00000658336796
                   +0 :               0.00002508743652
                   +1 :              -0.00000478837130
                   +2 :               0.00002070231721
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00002997836737
                2s
                   +0 :              -0.00060138701730
                3s
                   +0 :               0.00001237192026
                2p
                   -1 :               0.00027584653544
                   +0 :               0.00001549187803
                   +1 :              -0.00046264190143
                3p
                   -1 :              -0.00007944213373
                   +0 :              -0.00013289538204
                   +1 :               0.00015605229979
                3d
                   -2 :               0.00001169435166
                   -1 :               0.00001408907736
                   +0 :              -0.00004444235363
                   +1 :              -0.00001719179691
                   +2 :              -0.00000493501701
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000402264077
                2s
                   +0 :               0.00004071626023
                3s
                   +0 :               0.00002329735330
                2p
                   -1 :              -0.00000121661833
                   +0 :              -0.00000113495021
                   +1 :              -0.00009156660372
                3p
                   -1 :               0.00002354683657
                   +0 :               0.00006879030467
                   +1 :               0.00005220252757
                3d
                   -2 :               0.00000284856159
                   -1 :               0.00001171177528
                   +0 :               0.00000494162829
                   +1 :              -0.00000223018295
                   +2 :              -0.00001369723257
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000072674693
                2s
                   +0 :               0.00005185968128
                3s
                   +0 :               0.00002369870143
                2p
                   -1 :              -0.00007824236052
                   +0 :               0.00014474320555
                   +1 :               0.00018706531063
                3p
                   -1 :               0.00013980554865
                   +0 :              -0.00007339899088
                   +1 :              -0.00016875988623
                3d
                   -2 :              -0.00001610139516
                   -1 :              -0.00000177684569
                   +0 :              -0.00000694733865
                   +1 :               0.00000898619789
                   +2 :               0.00000596816501
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00003700453424
                2s
                   +0 :              -0.00022712131543
                3s
                   +0 :               0.00011008919171
                2p
                   -1 :              -0.00000596651230
                   +0 :              -0.00008469628145
                   +1 :               0.00014110598335
                3p
                   -1 :              -0.00000597272052
                   +0 :               0.00005920669699
                   +1 :              -0.00008563229977
                3d
                   -2 :               0.00001051545688
                   -1 :              -0.00000307215220
                   +0 :               0.00000595214831
                   +1 :               0.00000196766041
                   +2 :              -0.00000637604699
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00002948102107
                2s
                   +0 :              -0.00019678535827
                3s
                   +0 :               0.00002251460122
                2p
                   -1 :               0.00032433002521
                   +0 :              -0.00004819625785
                   +1 :              -0.00017689432425
                3p
                   -1 :              -0.00020834288514
                   +0 :              -0.00001805610040
                   +1 :               0.00013685119252
                3d
                   -2 :               0.00000168962508
                   -1 :               0.00000030146773
                   +0 :              -0.00001084193395
                   +1 :               0.00000474811840
                   +2 :              -0.00000808432787
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001942821773
                2s
                   +0 :               0.00013052446725
                3s
                   +0 :              -0.00004557049053
                2p
                   -1 :              -0.00014966485633
                   +0 :               0.00005261176054
                   +1 :               0.00024369563259
                3p
                   -1 :               0.00012879958218
                   +0 :              -0.00005407015414
                   +1 :              -0.00018835922820
                3d
                   -2 :               0.00000879176263
                   -1 :               0.00000017042371
                   +0 :               0.00000005929180
                   +1 :               0.00000345548055
                   +2 :              -0.00000491442049
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00003174820480
                2s
                   +0 :               0.00017614746496
                3s
                   +0 :              -0.00010804955644
                2p
                   -1 :              -0.00001007722772
                   +0 :              -0.00004506523829
                   +1 :              -0.00003557852359
                3p
                   -1 :               0.00001743331145
                   +0 :               0.00004480891019
                   +1 :               0.00002626648231
                3d
                   -2 :              -0.00000146500033
                   -1 :               0.00000161926341
                   +0 :               0.00000858588320
                   +1 :              -0.00000340415015
                   +2 :              -0.00000425475002
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00002176432170
                2s
                   +0 :              -0.00014854859054
                3s
                   +0 :               0.00006042757937
                2p
                   -1 :              -0.00002392064153
                   +0 :               0.00002566795707
                   +1 :               0.00001599614753
                3p
                   -1 :              -0.00000000728371
                   +0 :              -0.00004146169387
                   +1 :              -0.00002940311759
                3d
                   -2 :              -0.00000742029907
                   -1 :              -0.00000023911865
                   +0 :              -0.00000468933490
                   +1 :               0.00000561367233
                   +2 :               0.00000638533853
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000542992034
                2s
                   +0 :               0.00003154669804
                3s
                   +0 :              -0.00001407820744
                2p
                   -1 :               0.00003825419822
                   +0 :              -0.00001341650276
                   +1 :              -0.00007291262583
                3p
                   -1 :              -0.00001847249762
                   +0 :               0.00000585877492
                   +1 :               0.00003140013675
                3d
                   -2 :               0.00000277336623
                   -1 :               0.00000000113315
                   +0 :               0.00000418925150
                   +1 :               0.00000271928847
                   +2 :              -0.00000079350328
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00002095830125
                2s
                   +0 :              -0.00021231225751
                3s
                   +0 :               0.00003722293214
                2p
                   -1 :              -0.00010011129160
                   +0 :               0.00006190944873
                   +1 :               0.00005843307895
                3p
                   -1 :               0.00003432904572
                   +0 :               0.00001033878208
                   +1 :              -0.00005078756857
                3d
                   -2 :               0.00000121257307
                   -1 :               0.00000593349631
                   +0 :              -0.00000609140738
                   +1 :               0.00000284642158
                   +2 :               0.00000375914271
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 17)  npairs=  15
              1 vec=     2.174555      4.491729      8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00010840203562
                2s
                   +0 :              -0.00003844641416
                3s
                   +0 :               0.00050784083791
                2p
                   -1 :               0.00097864024491
                   +0 :               0.00080626755369
                   +1 :              -0.00216701713863
                3p
                   -1 :              -0.00018945740119
                   +0 :               0.00008199156303
                   +1 :               0.00098402550187
                3d
                   -2 :               0.00007411581088
                   -1 :               0.00006187780745
                   +0 :              -0.00010317756634
                   +1 :              -0.00004137285632
                   +2 :               0.00013377024800
              2 vec=     2.174555     -4.492029      8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00019311673772
                2s
                   +0 :              -0.00187772008830
                3s
                   +0 :               0.00003929224617
                2p
                   -1 :               0.00034625069598
                   +0 :              -0.00222279713531
                   +1 :              -0.00128542466344
                3p
                   -1 :               0.00027294530434
                   +0 :              -0.00007466616521
                   +1 :              -0.00045714010881
                3d
                   -2 :               0.00012288737101
                   -1 :               0.00007516855777
                   +0 :              -0.00002292677282
                   +1 :              -0.00013757155259
                   +2 :              -0.00000380907243
              3 vec=    -5.605607     -0.000150      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00022950990374
                2s
                   +0 :               0.00235511445682
                3s
                   +0 :              -0.00043208564659
                2p
                   -1 :               0.00026204407567
                   +0 :               0.00201850987258
                   +1 :              -0.00183989351421
                3p
                   -1 :              -0.00076118929656
                   +0 :              -0.00061439160803
                   +1 :               0.00085828831131
                3d
                   -2 :               0.00000779860234
                   -1 :              -0.00007120505282
                   +0 :               0.00014944847974
                   +1 :               0.00000567216038
                   +2 :               0.00000251731153
              4 vec=     9.954718     -0.000150      8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00000470712112
                2s
                   +0 :              -0.00003504552087
                3s
                   +0 :               0.00003951892656
                2p
                   -1 :               0.00062826117349
                   +0 :              -0.00015165503130
                   +1 :               0.00035296113225
                3p
                   -1 :              -0.00047400036240
                   +0 :              -0.00004530918524
                   +1 :              -0.00023166690647
                3d
                   -2 :              -0.00001687886906
                   -1 :              -0.00003598140669
                   +0 :              -0.00003555772958
                   +1 :              -0.00000876395442
                   +2 :               0.00003378626853
              5 vec=    -5.605607      8.983608      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00005155505209
                2s
                   +0 :               0.00071457835832
                3s
                   +0 :              -0.00019132298412
                2p
                   -1 :               0.00020308463525
                   +0 :               0.00045610486415
                   +1 :              -0.00002364174415
                3p
                   -1 :              -0.00002009077144
                   +0 :              -0.00015074904550
                   +1 :              -0.00001862026883
                3d
                   -2 :               0.00003459712894
                   -1 :              -0.00002272465459
                   +0 :              -0.00000215072391
                   +1 :               0.00001135261592
                   +2 :              -0.00003126217480
              6 vec=    -5.605607     -8.983908      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00001105592388
                2s
                   +0 :              -0.00027177277646
                3s
                   +0 :              -0.00005238154328
                2p
                   -1 :               0.00007453693017
                   +0 :               0.00033448136021
                   +1 :              -0.00012401691072
                3p
                   -1 :               0.00010130568003
                   +0 :              -0.00028641862598
                   +1 :               0.00032593835709
                3d
                   -2 :              -0.00002494348156
                   -1 :              -0.00001407433008
                   +0 :              -0.00000671489730
                   +1 :               0.00000836018483
                   +2 :              -0.00002711177145
              7 vec=     9.954718      8.983608      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00001080731801
                2s
                   +0 :              -0.00002883530441
                3s
                   +0 :               0.00006741579754
                2p
                   -1 :               0.00009080685356
                   +0 :               0.00015329491690
                   +1 :               0.00001831082714
                3p
                   -1 :              -0.00009951402782
                   +0 :              -0.00005853126335
                   +1 :               0.00002920150445
                3d
                   -2 :              -0.00000138388614
                   -1 :              -0.00001520094482
                   +0 :              -0.00000394959898
                   +1 :               0.00000852392176
                   +2 :               0.00000445091212
              8 vec=     9.954718     -8.983908      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00001647546244
                2s
                   +0 :              -0.00013397532164
                3s
                   +0 :               0.00003122637625
                2p
                   -1 :              -0.00011586082824
                   +0 :              -0.00012719732230
                   +1 :              -0.00015006567100
                3p
                   -1 :               0.00009550370658
                   +0 :               0.00001010026287
                   +1 :               0.00004728636668
                3d
                   -2 :              -0.00000104859099
                   -1 :               0.00001770393887
                   +0 :               0.00000856477665
                   +1 :               0.00000902646161
                   +2 :               0.00000780478619
              9 vec=     2.174555     13.475487      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00006733760768
                2s
                   +0 :              -0.00040814053709
                3s
                   +0 :               0.00024273856759
                2p
                   -1 :              -0.00020384334671
                   +0 :              -0.00001332581762
                   +1 :              -0.00007084666780
                3p
                   -1 :               0.00019955063158
                   +0 :               0.00002502749028
                   +1 :               0.00007992385641
                3d
                   -2 :               0.00001697963344
                   -1 :              -0.00000100826378
                   +0 :               0.00000168573517
                   +1 :              -0.00001017437740
                   +2 :              -0.00000122835950
             10 vec=     2.174555    -13.475787      8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00000291032543
                2s
                   +0 :              -0.00002527486138
                3s
                   +0 :              -0.00004147703528
                2p
                   -1 :               0.00011027776124
                   +0 :              -0.00002544896690
                   +1 :               0.00017899582314
                3p
                   -1 :              -0.00006093593748
                   +0 :              -0.00004081692137
                   +1 :              -0.00012814823766
                3d
                   -2 :               0.00000048363945
                   -1 :               0.00000477568827
                   +0 :              -0.00000799565663
                   +1 :              -0.00001656234662
                   +2 :              -0.00001836964081
             11 vec=   -13.385770      4.491729      8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00000936191130
                2s
                   +0 :              -0.00003336600737
                3s
                   +0 :               0.00003838651993
                2p
                   -1 :              -0.00000537723233
                   +0 :               0.00006464796966
                   +1 :               0.00005574260890
                3p
                   -1 :               0.00000239582104
                   +0 :              -0.00005052620868
                   +1 :              -0.00009033507917
                3d
                   -2 :              -0.00000147028703
                   -1 :              -0.00000228328333
                   +0 :              -0.00001489593689
                   +1 :              -0.00000089767551
                   +2 :               0.00000667448324
             12 vec=   -13.385770     -4.492029      8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00004402685496
                2s
                   +0 :               0.00022685177578
                3s
                   +0 :              -0.00013848777424
                2p
                   -1 :               0.00012634315356
                   +0 :               0.00006381323591
                   +1 :              -0.00007486859619
                3p
                   -1 :              -0.00012454365519
                   +0 :              -0.00006178256070
                   +1 :               0.00009321314385
                3d
                   -2 :               0.00000011173833
                   -1 :              -0.00000285224979
                   +0 :              -0.00000121749923
                   +1 :               0.00000881974561
                   +2 :              -0.00000363050223
             13 vec=     2.174555      4.491729    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00001063562790
                2s
                   +0 :              -0.00007689991876
                3s
                   +0 :               0.00002185447475
                2p
                   -1 :              -0.00001799962371
                   +0 :               0.00001429826396
                   +1 :              -0.00004230238362
                3p
                   -1 :              -0.00000565738453
                   +0 :              -0.00003459508996
                   +1 :               0.00005712008589
                3d
                   -2 :               0.00000207270685
                   -1 :               0.00000319007203
                   +0 :              -0.00000074697216
                   +1 :              -0.00000288947349
                   +2 :               0.00000264592683
             14 vec=     2.174555     -4.492029    -16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00000553120874
                2s
                   +0 :               0.00003590397360
                3s
                   +0 :              -0.00002583269060
                2p
                   -1 :               0.00004250399525
                   +0 :              -0.00005181040668
                   +1 :               0.00009319332828
                3p
                   -1 :              -0.00002538631623
                   +0 :               0.00002165051390
                   +1 :              -0.00006071145527
                3d
                   -2 :              -0.00000202268099
                   -1 :               0.00000214482656
                   +0 :               0.00000534599801
                   +1 :               0.00000268364550
                   +2 :               0.00000381506237
             15 vec=    -5.605607     -0.000150    -16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000088547685
                2s
                   +0 :              -0.00003378347928
                3s
                   +0 :              -0.00002016784711
                2p
                   -1 :              -0.00017734459056
                   +0 :              -0.00009064798835
                   +1 :               0.00002396474421
                3p
                   -1 :               0.00009549377766
                   +0 :               0.00012801949904
                   +1 :              -0.00001715592108
                3d
                   -2 :              -0.00000267080487
                   -1 :               0.00000225751041
                   +0 :              -0.00000581430828
                   +1 :               0.00000034241063
                   +2 :               0.00000263839962
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 18)  npairs=  14
              1 vec=    -0.209286      0.362794      8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00018771054589
                2s
                   +0 :              -0.00115644338964
                3s
                   +0 :               0.00057559906886
                2p
                   -1 :              -0.00003893948149
                   +0 :               0.00058180792206
                   +1 :               0.00061442311554
                3p
                   -1 :              -0.00126568411336
                   +0 :              -0.00068819515557
                   +1 :              -0.00059801389081
                3d
                   -2 :               0.00002256671051
                   -1 :              -0.00010451650651
                   +0 :              -0.00025780808862
                   +1 :              -0.00008788176875
                   +2 :              -0.00003919159671
              2 vec=    -0.209286     -8.620964      8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00003829766338
                2s
                   +0 :              -0.00039572086968
                3s
                   +0 :              -0.00028102075550
                2p
                   -1 :              -0.00023136370850
                   +0 :              -0.00045601227042
                   +1 :               0.00059856806241
                3p
                   -1 :               0.00040285624638
                   +0 :              -0.00024689647726
                   +1 :              -0.00036164434743
                3d
                   -2 :               0.00000992190195
                   -1 :               0.00002453131965
                   +0 :              -0.00000043443193
                   +1 :               0.00002715085130
                   +2 :              -0.00001431796762
              3 vec=     7.570876     -4.129085      8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00004967607959
                2s
                   +0 :               0.00043438769134
                3s
                   +0 :              -0.00017498269194
                2p
                   -1 :              -0.00018623654467
                   +0 :               0.00044265539386
                   +1 :              -0.00054156163580
                3p
                   -1 :              -0.00013392022168
                   +0 :              -0.00031628264540
                   +1 :               0.00051864482297
                3d
                   -2 :              -0.00005815457492
                   -1 :              -0.00000146012395
                   +0 :              -0.00001922464030
                   +1 :               0.00003883384692
                   +2 :              -0.00000768377408
              4 vec=    -7.989449     -4.129085      8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00009057349420
                2s
                   +0 :               0.00039543676099
                3s
                   +0 :              -0.00025137971919
                2p
                   -1 :              -0.00126592068670
                   +0 :               0.00012133429482
                   +1 :               0.00054222412324
                3p
                   -1 :               0.00086414296735
                   +0 :              -0.00012969356922
                   +1 :              -0.00033927694511
                3d
                   -2 :               0.00001328963391
                   -1 :               0.00006988209223
                   +0 :              -0.00002454920329
                   +1 :              -0.00002032984959
                   +2 :               0.00002642245366
              5 vec=     7.570876      4.854673      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00006967277504
                2s
                   +0 :               0.00078444583312
                3s
                   +0 :              -0.00027177670071
                2p
                   -1 :               0.00062531238851
                   +0 :               0.00034147198565
                   +1 :               0.00000508874059
                3p
                   -1 :              -0.00060503843407
                   +0 :              -0.00005082868690
                   +1 :               0.00034601625074
                3d
                   -2 :              -0.00008686878748
                   -1 :              -0.00003082588386
                   +0 :               0.00002588611236
                   +1 :              -0.00000989182287
                   +2 :               0.00004798938848
              6 vec=    -7.989449      4.854673      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00006185858926
                2s
                   +0 :               0.00061161623902
                3s
                   +0 :              -0.00011359112384
                2p
                   -1 :               0.00002625436365
                   +0 :               0.00001219748745
                   +1 :              -0.00081941904812
                3p
                   -1 :              -0.00005849595519
                   +0 :               0.00031548222628
                   +1 :               0.00042886172710
                3d
                   -2 :               0.00000975898278
                   -1 :              -0.00002230653980
                   +0 :               0.00002009131693
                   +1 :              -0.00005167318948
                   +2 :              -0.00002297534890
              7 vec=    -0.209286      9.346552      8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00002679797445
                2s
                   +0 :               0.00006040328945
                3s
                   +0 :               0.00008949533346
                2p
                   -1 :               0.00115613222098
                   +0 :               0.00083837343542
                   +1 :               0.00024529019971
                3p
                   -1 :              -0.00082622764178
                   +0 :              -0.00064496635838
                   +1 :              -0.00025158906495
                3d
                   -2 :              -0.00002686047898
                   -1 :              -0.00005283208200
                   +0 :              -0.00001214143420
                   +1 :              -0.00002196309119
                   +2 :               0.00002235821741
              8 vec=    -0.209286      0.362794    -16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000922337309
                2s
                   +0 :              -0.00008217922345
                3s
                   +0 :               0.00003090420072
                2p
                   -1 :               0.00012290416794
                   +0 :              -0.00000739929947
                   +1 :              -0.00008816724396
                3p
                   -1 :              -0.00011227035639
                   +0 :               0.00001040380879
                   +1 :               0.00006913270294
                3d
                   -2 :              -0.00000556308881
                   -1 :               0.00001100738479
                   +0 :              -0.00000655652421
                   +1 :              -0.00000542959508
                   +2 :              -0.00000463539510
              9 vec=     7.570876    -13.112843      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00001996846426
                2s
                   +0 :              -0.00019236461154
                3s
                   +0 :               0.00003056273065
                2p
                   -1 :               0.00004129570248
                   +0 :              -0.00010430909450
                   +1 :              -0.00013242811503
                3p
                   -1 :               0.00003289639822
                   +0 :               0.00004706800577
                   +1 :               0.00002302331027
                3d
                   -2 :               0.00000940902385
                   -1 :               0.00000153533020
                   +0 :               0.00000345223812
                   +1 :              -0.00000262669992
                   +2 :               0.00000354121406
             10 vec=    -7.989449    -13.112843      8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00003065339274
                2s
                   +0 :              -0.00023489977293
                3s
                   +0 :               0.00008159888160
                2p
                   -1 :               0.00024824337238
                   +0 :              -0.00006642119636
                   +1 :               0.00007709220220
                3p
                   -1 :              -0.00016273452357
                   +0 :               0.00001259724550
                   +1 :              -0.00000021823023
                3d
                   -2 :              -0.00000357359418
                   -1 :              -0.00000184845912
                   +0 :               0.00000244641210
                   +1 :               0.00000867056231
                   +2 :              -0.00000668951347
             11 vec=    15.351039      0.362794      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000269971193
                2s
                   +0 :               0.00003170717008
                3s
                   +0 :              -0.00000486119488
                2p
                   -1 :               0.00006056913382
                   +0 :               0.00003840677702
                   +1 :               0.00006132754681
                3p
                   -1 :              -0.00007491927456
                   +0 :              -0.00001228945613
                   +1 :              -0.00004076274206
                3d
                   -2 :              -0.00000258873743
                   -1 :              -0.00000070696644
                   +0 :               0.00000086187671
                   +1 :               0.00000049085402
                   +2 :               0.00000259521393
             12 vec=   -15.769612      0.362794      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000034798050
                2s
                   +0 :               0.00002878162963
                3s
                   +0 :               0.00000495601821
                2p
                   -1 :               0.00002262268093
                   +0 :               0.00008552290612
                   +1 :              -0.00000265295826
                3p
                   -1 :              -0.00003834405476
                   +0 :              -0.00005463325633
                   +1 :              -0.00003063858732
                3d
                   -2 :              -0.00000155583929
                   -1 :              -0.00000305811078
                   +0 :               0.00000100330241
                   +1 :              -0.00000026016636
                   +2 :               0.00000074389392
             13 vec=     7.570876     13.838431      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00000036577541
                2s
                   +0 :               0.00002543101523
                3s
                   +0 :               0.00002936733477
                2p
                   -1 :               0.00004865111649
                   +0 :               0.00004368544752
                   +1 :              -0.00001275457009
                3p
                   -1 :               0.00000306381285
                   +0 :               0.00001157205701
                   +1 :               0.00000737968966
                3d
                   -2 :               0.00000131958431
                   -1 :               0.00000446902419
                   +0 :              -0.00000010839230
                   +1 :               0.00000022359908
                   +2 :              -0.00000440092065
             14 vec=    -7.989449     13.838431      8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00001352769593
                2s
                   +0 :               0.00011511919587
                3s
                   +0 :              -0.00003484633466
                2p
                   -1 :               0.00006598223097
                   +0 :               0.00000858334138
                   +1 :              -0.00001307218705
                3p
                   -1 :              -0.00001345254159
                   +0 :               0.00000886968078
                   +1 :               0.00000172308674
                3d
                   -2 :               0.00000160108283
                   -1 :              -0.00000233329379
                   +0 :               0.00000341431368
                   +1 :               0.00000332212534
                   +2 :              -0.00000316179041
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 19)  npairs=  14
              1 vec=    -0.418573     -2.752923      4.091257   |vec|=    4.948957
                1s
                   +0 :               0.00163601639390
                2s
                   +0 :              -0.05074288644878
                3s
                   +0 :               0.00318015975707
                2p
                   -1 :               0.00985063679283
                   +0 :              -0.03492853264929
                   +1 :               0.00286665583457
                3p
                   -1 :              -0.00005723295180
                   +0 :               0.00568046960070
                   +1 :              -0.00210439410567
                3d
                   -2 :              -0.00015427494477
                   -1 :               0.00045727826037
                   +0 :              -0.00148660819375
                   +1 :              -0.00031250697873
                   +2 :               0.00066155736939
              2 vec=    -0.418573      6.230835      4.091257   |vec|=    7.465715
                1s
                   +0 :               0.00001289101432
                2s
                   +0 :               0.00035666469175
                3s
                   +0 :              -0.00007430714776
                2p
                   -1 :               0.00479883691620
                   +0 :              -0.00337775657434
                   +1 :               0.00313007265201
                3p
                   -1 :              -0.00230179277886
                   +0 :               0.00445349055348
                   +1 :              -0.00313413238312
                3d
                   -2 :               0.00001996164406
                   -1 :              -0.00037130762715
                   +0 :               0.00039154691875
                   +1 :               0.00013102403784
                   +2 :               0.00032890465726
              3 vec=     7.361590      1.738956      4.091257   |vec|=    8.599730
                1s
                   +0 :               0.00022233444450
                2s
                   +0 :              -0.00166778604466
                3s
                   +0 :               0.00104602779705
                2p
                   -1 :              -0.00104161963615
                   +0 :              -0.00503103357868
                   +1 :              -0.00008742765661
                3p
                   -1 :               0.00057134235617
                   +0 :               0.00281927349332
                   +1 :               0.00067270942165
                3d
                   -2 :               0.00010265249688
                   -1 :              -0.00002469892928
                   +0 :              -0.00009088142497
                   +1 :               0.00028464672387
                   +2 :               0.00007598827600
              4 vec=    -8.198735      1.738956      4.091257   |vec|=    9.326393
                1s
                   +0 :               0.00010367962515
                2s
                   +0 :              -0.00051731268189
                3s
                   +0 :               0.00046297371961
                2p
                   -1 :              -0.00185515838212
                   +0 :               0.00028414488213
                   +1 :               0.00078696204595
                3p
                   -1 :               0.00167947877639
                   +0 :              -0.00070770704649
                   +1 :              -0.00118939689148
                3d
                   -2 :              -0.00011676981282
                   -1 :               0.00001681596661
                   +0 :              -0.00008379026201
                   +1 :               0.00004385536297
                   +2 :               0.00008173566428
              5 vec=     7.361590     -7.244802      4.091257   |vec|=   11.109390
                1s
                   +0 :              -0.00017727197549
                2s
                   +0 :               0.00060384940516
                3s
                   +0 :              -0.00058641729869
                2p
                   -1 :              -0.00009837453714
                   +0 :              -0.00060601144998
                   +1 :               0.00036496750135
                3p
                   -1 :               0.00018079447491
                   +0 :               0.00006586894591
                   +1 :              -0.00075160437770
                3d
                   -2 :               0.00003250780412
                   -1 :              -0.00000559678802
                   +0 :              -0.00000277355616
                   +1 :              -0.00000505346374
                   +2 :              -0.00003591509748
              6 vec=    -8.198735     -7.244802      4.091257   |vec|=   11.680959
                1s
                   +0 :              -0.00007464481846
                2s
                   +0 :               0.00018569342977
                3s
                   +0 :              -0.00015835571324
                2p
                   -1 :               0.00020593327820
                   +0 :               0.00026812579456
                   +1 :              -0.00060026953035
                3p
                   -1 :              -0.00021047657691
                   +0 :              -0.00024523006178
                   +1 :               0.00075423453463
                3d
                   -2 :              -0.00003807668816
                   -1 :              -0.00000447113520
                   +0 :               0.00007204722931
                   +1 :              -0.00003989792406
                   +2 :              -0.00001561316178
              7 vec=    -0.418573    -11.736681      4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00001379072548
                2s
                   +0 :              -0.00059123207902
                3s
                   +0 :              -0.00002412094389
                2p
                   -1 :               0.00076900391059
                   +0 :              -0.00062751087278
                   +1 :              -0.00012217902210
                3p
                   -1 :              -0.00052309645433
                   +0 :               0.00052919586291
                   +1 :               0.00010591547043
                3d
                   -2 :              -0.00000176821240
                   -1 :              -0.00008172408143
                   +0 :               0.00002512856462
                   +1 :              -0.00000407400565
                   +2 :              -0.00000506158902
              8 vec=     7.361590     10.722714      4.091257   |vec|=   13.634808
                1s
                   +0 :               0.00002871199678
                2s
                   +0 :               0.00025924668419
                3s
                   +0 :               0.00018231594372
                2p
                   -1 :              -0.00012920365446
                   +0 :               0.00059575059408
                   +1 :              -0.00007780891930
                3p
                   -1 :               0.00012949962323
                   +0 :              -0.00009812649361
                   +1 :               0.00030029841500
                3d
                   -2 :               0.00001080669966
                   -1 :              -0.00000500512023
                   +0 :               0.00000948274606
                   +1 :               0.00003204654431
                   +2 :               0.00000985763069
              9 vec=    -8.198735     10.722714      4.091257   |vec|=   14.104405
                1s
                   +0 :              -0.00006560072547
                2s
                   +0 :               0.00061394866665
                3s
                   +0 :              -0.00015704634691
                2p
                   -1 :               0.00007719985771
                   +0 :               0.00023638734225
                   +1 :              -0.00048149727232
                3p
                   -1 :              -0.00007385269184
                   +0 :              -0.00004877480235
                   +1 :               0.00029710240779
                3d
                   -2 :               0.00003576148972
                   -1 :              -0.00000086345362
                   +0 :               0.00001382879054
                   +1 :               0.00001548586248
                   +2 :               0.00000237697098
             10 vec=    -0.418573     15.214593      4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000249831481
                2s
                   +0 :               0.00005975593565
                3s
                   +0 :               0.00001300470345
                2p
                   -1 :               0.00005938144493
                   +0 :               0.00008171277328
                   +1 :               0.00011382481712
                3p
                   -1 :              -0.00002008197243
                   +0 :              -0.00000036877344
                   +1 :              -0.00010737446853
                3d
                   -2 :              -0.00000583773360
                   -1 :              -0.00000493077376
                   +0 :               0.00000295476560
                   +1 :              -0.00000681743094
                   +2 :              -0.00001111831827
             11 vec=    15.141753     -2.752923      4.091257   |vec|=   15.924498
                1s
                   +0 :               0.00002096644206
                2s
                   +0 :              -0.00010230668324
                3s
                   +0 :               0.00004589603980
                2p
                   -1 :              -0.00007588428125
                   +0 :              -0.00012921406709
                   +1 :               0.00003837116713
                3p
                   -1 :               0.00002819523988
                   +0 :               0.00008091374018
                   +1 :              -0.00004494181961
                3d
                   -2 :               0.00000688416385
                   -1 :              -0.00000604057106
                   +0 :               0.00000194612297
                   +1 :               0.00001252212776
                   +2 :              -0.00000226244529
             12 vec=   -15.978898     -2.752923      4.091257   |vec|=   16.722504
                1s
                   +0 :              -0.00001140026602
                2s
                   +0 :               0.00006349791202
                3s
                   +0 :              -0.00003823656024
                2p
                   -1 :              -0.00017083535507
                   +0 :              -0.00002465470851
                   +1 :               0.00005834849058
                3p
                   -1 :               0.00012309642433
                   +0 :               0.00000088946701
                   +1 :              -0.00005441753850
                3d
                   -2 :              -0.00000160659864
                   -1 :              -0.00000307476691
                   +0 :              -0.00000424794135
                   +1 :              -0.00000205032475
                   +2 :               0.00000694781347
             13 vec=    15.141753      6.230835      4.091257   |vec|=   16.877036
                1s
                   +0 :              -0.00000874386578
                2s
                   +0 :               0.00006827071399
                3s
                   +0 :              -0.00002931254084
                2p
                   -1 :              -0.00004096513928
                   +0 :               0.00002262101491
                   +1 :               0.00015310772691
                3p
                   -1 :               0.00004570504917
                   +0 :              -0.00000110687902
                   +1 :              -0.00011881998296
                3d
                   -2 :               0.00000511958605
                   -1 :               0.00000088871415
                   +0 :               0.00000309384713
                   +1 :               0.00000518499942
                   +2 :              -0.00000073270027
             14 vec=   -15.978898      6.230835      4.091257   |vec|=   17.631984
                1s
                   +0 :              -0.00001257502225
                2s
                   +0 :               0.00009933429753
                3s
                   +0 :              -0.00002926465301
                2p
                   -1 :               0.00010216310280
                   +0 :               0.00004094783129
                   +1 :              -0.00007760721983
                3p
                   -1 :              -0.00007871734428
                   +0 :              -0.00001449967162
                   +1 :               0.00004304589187
                3d
                   -2 :               0.00000907068068
                   -1 :               0.00000344106351
                   +0 :               0.00000290207100
                   +1 :               0.00000171232831
                   +2 :              -0.00000349359544
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 20)  npairs=  14
              1 vec=     2.593388      1.738956      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00299705631823
                2s
                   +0 :               0.03468584804497
                3s
                   +0 :              -0.00621320862397
                2p
                   -1 :               0.00234882908360
                   +0 :               0.01235594501943
                   +1 :               0.01089351342344
                3p
                   -1 :              -0.00300063026780
                   +0 :               0.00217424201511
                   +1 :              -0.00060397319224
                3d
                   -2 :              -0.00017261391511
                   -1 :              -0.00082592487941
                   +0 :               0.00144175473224
                   +1 :               0.00167258100071
                   +2 :               0.00078888749248
              2 vec=    -5.186775     -2.752923      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00062715985650
                2s
                   +0 :              -0.00438123155318
                3s
                   +0 :               0.00270503562307
                2p
                   -1 :               0.00379253008738
                   +0 :              -0.00586590360369
                   +1 :               0.00244849177984
                3p
                   -1 :              -0.00322887479146
                   +0 :               0.00421386186516
                   +1 :              -0.00175861071088
                3d
                   -2 :               0.00006651850033
                   -1 :              -0.00047721337536
                   +0 :               0.00029685903008
                   +1 :              -0.00051957012058
                   +2 :              -0.00004286921444
              3 vec=     2.593388     -7.244802      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00007885012967
                2s
                   +0 :              -0.00035654737929
                3s
                   +0 :              -0.00004387120439
                2p
                   -1 :               0.00162887107579
                   +0 :              -0.00319651297464
                   +1 :              -0.00065558571784
                3p
                   -1 :              -0.00073557435970
                   +0 :               0.00060733895802
                   +1 :               0.00113591433882
                3d
                   -2 :              -0.00011711158583
                   -1 :              -0.00004489648573
                   +0 :              -0.00013747048106
                   +1 :               0.00012246376749
                   +2 :              -0.00014011602984
              4 vec=    -5.186775      6.230835      4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00036417399464
                2s
                   +0 :               0.00204658933493
                3s
                   +0 :              -0.00069214678525
                2p
                   -1 :              -0.00133672681346
                   +0 :               0.00232000415377
                   +1 :              -0.00066682579954
                3p
                   -1 :               0.00101346086637
                   +0 :              -0.00012535083599
                   +1 :               0.00018553601438
                3d
                   -2 :              -0.00017033527942
                   -1 :               0.00014989202990
                   +0 :               0.00001681216608
                   +1 :              -0.00022412542581
                   +2 :              -0.00000667253855
              5 vec=    10.373550     -2.752923      4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00015940403244
                2s
                   +0 :               0.00079436186246
                3s
                   +0 :              -0.00038108810227
                2p
                   -1 :              -0.00047364046264
                   +0 :              -0.00057947841417
                   +1 :               0.00062908280458
                3p
                   -1 :               0.00022111159269
                   +0 :               0.00045137786910
                   +1 :              -0.00037673166128
                3d
                   -2 :              -0.00002691975531
                   -1 :              -0.00003750821023
                   +0 :              -0.00007257603353
                   +1 :               0.00005547658976
                   +2 :               0.00000828779292
              6 vec=     2.593388     10.722714      4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00001474904982
                2s
                   +0 :               0.00022645368919
                3s
                   +0 :               0.00010642479166
                2p
                   -1 :               0.00066434895849
                   +0 :               0.00065382645248
                   +1 :               0.00013104565916
                3p
                   -1 :              -0.00037458170624
                   +0 :              -0.00051026057211
                   +1 :              -0.00004699303358
                3d
                   -2 :               0.00004076821905
                   -1 :              -0.00001682656352
                   +0 :              -0.00008872872281
                   +1 :              -0.00002560752024
                   +2 :              -0.00004059450185
              7 vec=    10.373550      6.230835      4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00005562072400
                2s
                   +0 :               0.00043928354274
                3s
                   +0 :              -0.00017014852723
                2p
                   -1 :               0.00011671279602
                   +0 :              -0.00021065521259
                   +1 :              -0.00005304788753
                3p
                   -1 :              -0.00007857930210
                   +0 :               0.00018155517080
                   +1 :               0.00004989360233
                3d
                   -2 :               0.00000831239249
                   -1 :               0.00001663421446
                   +0 :               0.00000847671569
                   +1 :              -0.00000588655761
                   +2 :               0.00000375057380
              8 vec=    -5.186775    -11.736681      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00001378089553
                2s
                   +0 :              -0.00029626730858
                3s
                   +0 :              -0.00016593234562
                2p
                   -1 :              -0.00019992038917
                   +0 :              -0.00015982500283
                   +1 :              -0.00019142651193
                3p
                   -1 :               0.00034662414249
                   +0 :              -0.00015430902889
                   +1 :               0.00013248154845
                3d
                   -2 :              -0.00000550697170
                   -1 :               0.00001824192991
                   +0 :              -0.00003736748728
                   +1 :              -0.00001897397778
                   +2 :               0.00001901089563
              9 vec=   -12.966938      1.738956      4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00010455344625
                2s
                   +0 :               0.00077498069295
                3s
                   +0 :              -0.00030253912031
                2p
                   -1 :              -0.00020283128635
                   +0 :               0.00015278216470
                   +1 :              -0.00027815277752
                3p
                   -1 :               0.00015541332053
                   +0 :              -0.00008178260151
                   +1 :               0.00008727779674
                3d
                   -2 :              -0.00003574932206
                   -1 :               0.00000027559749
                   +0 :               0.00000337858925
                   +1 :               0.00000400754969
                   +2 :              -0.00000409874287
             10 vec=   -12.966938     -7.244802      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00001020713879
                2s
                   +0 :              -0.00008632164293
                3s
                   +0 :              -0.00001316656663
                2p
                   -1 :              -0.00009623907636
                   +0 :              -0.00012706379359
                   +1 :               0.00008749605418
                3p
                   -1 :               0.00007396132352
                   +0 :               0.00007736857285
                   +1 :              -0.00001169832452
                3d
                   -2 :              -0.00000609285778
                   -1 :              -0.00000615323717
                   +0 :              -0.00000766241338
                   +1 :              -0.00000837891384
                   +2 :               0.00000510274700
             11 vec=    10.373550    -11.736681      4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00002812150796
                2s
                   +0 :              -0.00020785991892
                3s
                   +0 :               0.00004853485931
                2p
                   -1 :               0.00013736043117
                   +0 :               0.00011344429720
                   +1 :              -0.00018940422923
                3p
                   -1 :              -0.00005996190195
                   +0 :              -0.00014158057490
                   +1 :               0.00005178945098
                3d
                   -2 :              -0.00000470487972
                   -1 :               0.00001031180899
                   +0 :               0.00000407974372
                   +1 :              -0.00000783594935
                   +2 :               0.00000298870007
             12 vec=    -5.186775     15.214593      4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00001641533735
                2s
                   +0 :               0.00017504702253
                3s
                   +0 :              -0.00005592091766
                2p
                   -1 :              -0.00003251878667
                   +0 :              -0.00004557478200
                   +1 :              -0.00000350637584
                3p
                   -1 :               0.00010805004284
                   +0 :               0.00006413769012
                   +1 :              -0.00003786760409
                3d
                   -2 :              -0.00002023881330
                   -1 :              -0.00001253597824
                   +0 :              -0.00000570246258
                   +1 :              -0.00000096710068
                   +2 :               0.00000013791791
             13 vec=     2.593388    -16.228560      4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00002402014646
                2s
                   +0 :              -0.00015098954821
                3s
                   +0 :               0.00004392262470
                2p
                   -1 :               0.00004652850644
                   +0 :               0.00006535148239
                   +1 :              -0.00001952585905
                3p
                   -1 :               0.00002701050122
                   +0 :              -0.00006094413457
                   +1 :               0.00000970519555
                3d
                   -2 :               0.00000989188160
                   -1 :              -0.00000178168388
                   +0 :              -0.00000182985586
                   +1 :              -0.00000202734654
                   +2 :               0.00000526582649
             14 vec=   -12.966938     10.722714      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000001614934
                2s
                   +0 :               0.00002330827786
                3s
                   +0 :               0.00000490297909
                2p
                   -1 :              -0.00002835315167
                   +0 :               0.00001951067973
                   +1 :              -0.00004510170253
                3p
                   -1 :               0.00005080846497
                   +0 :              -0.00003485169415
                   +1 :               0.00000458915293
                3d
                   -2 :              -0.00000133767212
                   -1 :               0.00000216909283
                   +0 :              -0.00000468132147
                   +1 :               0.00000399303747
                   +2 :               0.00000293600620
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 21)  npairs=  14
              1 vec=    -2.802674      1.376461      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00221432686598
                2s
                   +0 :               0.02684490469560
                3s
                   +0 :              -0.00554504445188
                2p
                   -1 :               0.00580529522714
                   +0 :               0.01162038325297
                   +1 :              -0.01410099578548
                3p
                   -1 :              -0.00802591634367
                   +0 :              -0.00071408465845
                   +1 :               0.00447698345533
                3d
                   -2 :               0.00045078611389
                   -1 :              -0.00131200213625
                   +0 :               0.00049265115409
                   +1 :              -0.00114637348758
                   +2 :               0.00077587154860
              2 vec=     4.977489     -3.115418      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00037512172626
                2s
                   +0 :              -0.00166674158307
                3s
                   +0 :               0.00130300689692
                2p
                   -1 :               0.00542366515765
                   +0 :               0.00087397444481
                   +1 :              -0.00082078000684
                3p
                   -1 :              -0.00527107725435
                   +0 :              -0.00108379396497
                   +1 :               0.00062196550501
                3d
                   -2 :              -0.00016031476684
                   -1 :              -0.00005683426719
                   +0 :              -0.00013649618470
                   +1 :               0.00012221474559
                   +2 :               0.00004925689258
              3 vec=     4.977489      5.868340      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00015921838943
                2s
                   +0 :              -0.00143144388321
                3s
                   +0 :               0.00066459765852
                2p
                   -1 :               0.00098365071200
                   +0 :               0.00117580234419
                   +1 :              -0.00029989271335
                3p
                   -1 :              -0.00091670334514
                   +0 :              -0.00041612466670
                   +1 :               0.00049012273776
                3d
                   -2 :              -0.00008155191977
                   -1 :               0.00000702543059
                   +0 :               0.00005119614827
                   +1 :               0.00008698328070
                   +2 :               0.00013566796267
              4 vec=    -2.802674     -7.607297      4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00020091422709
                2s
                   +0 :              -0.00102528553086
                3s
                   +0 :               0.00037899506136
                2p
                   -1 :               0.00160548400080
                   +0 :              -0.00269582388355
                   +1 :              -0.00013529558937
                3p
                   -1 :              -0.00095091957558
                   +0 :               0.00182638488255
                   +1 :              -0.00011922938181
                3d
                   -2 :               0.00002942378072
                   -1 :              -0.00006534366595
                   +0 :              -0.00001500646473
                   +1 :              -0.00000497273531
                   +2 :              -0.00005437823549
              5 vec=    -2.802674     10.360219      4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00008303918603
                2s
                   +0 :               0.00099329442805
                3s
                   +0 :              -0.00031915777575
                2p
                   -1 :               0.00133335370113
                   +0 :               0.00001808021921
                   +1 :              -0.00021577495998
                3p
                   -1 :              -0.00091086889164
                   +0 :               0.00022005304431
                   +1 :              -0.00004836503825
                3d
                   -2 :              -0.00004324098845
                   -1 :               0.00006226108776
                   +0 :               0.00004072711246
                   +1 :              -0.00010908193703
                   +2 :               0.00006378160723
              6 vec=   -10.582837     -3.115418      4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00000032288059
                2s
                   +0 :              -0.00017690790558
                3s
                   +0 :               0.00007288395649
                2p
                   -1 :               0.00012577547768
                   +0 :              -0.00080742771842
                   +1 :              -0.00019538123119
                3p
                   -1 :              -0.00029790510572
                   +0 :               0.00065905275567
                   +1 :               0.00011895127928
                3d
                   -2 :               0.00001258707766
                   -1 :              -0.00003398864993
                   +0 :              -0.00009496465543
                   +1 :              -0.00004135974888
                   +2 :              -0.00001125859958
              7 vec=   -10.582837      5.868340      4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00001740288252
                2s
                   +0 :               0.00041166486286
                3s
                   +0 :              -0.00002276036721
                2p
                   -1 :               0.00049034815351
                   +0 :               0.00043975472537
                   +1 :               0.00010665889349
                3p
                   -1 :              -0.00026490814817
                   +0 :              -0.00028034116902
                   +1 :              -0.00010021610385
                3d
                   -2 :              -0.00002242449369
                   -1 :               0.00001732935765
                   +0 :              -0.00000091927310
                   +1 :               0.00001811603133
                   +2 :               0.00002039247713
              8 vec=    12.757651      1.376461      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00004911081320
                2s
                   +0 :               0.00039412633713
                3s
                   +0 :              -0.00010416846842
                2p
                   -1 :              -0.00033580589297
                   +0 :               0.00012125946473
                   +1 :               0.00018484044564
                3p
                   -1 :               0.00028224341867
                   +0 :              -0.00006819187309
                   +1 :              -0.00001186011389
                3d
                   -2 :               0.00003111914974
                   -1 :              -0.00002502710619
                   +0 :               0.00002160651218
                   +1 :              -0.00001208678493
                   +2 :               0.00002147583492
              9 vec=     4.977489    -12.099176      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00001140177428
                2s
                   +0 :              -0.00049558525290
                3s
                   +0 :              -0.00007521590467
                2p
                   -1 :              -0.00024005123097
                   +0 :              -0.00026396855353
                   +1 :               0.00003988997465
                3p
                   -1 :               0.00039703354024
                   +0 :              -0.00007990129931
                   +1 :              -0.00002238989594
                3d
                   -2 :               0.00000752907036
                   -1 :               0.00001628930773
                   +0 :              -0.00002067517483
                   +1 :               0.00002214539889
                   +2 :               0.00001113337643
             10 vec=    12.757651     -7.607297      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00002344120684
                2s
                   +0 :              -0.00016561011568
                3s
                   +0 :               0.00003073534374
                2p
                   -1 :               0.00008648314888
                   +0 :              -0.00008929839121
                   +1 :              -0.00017259958906
                3p
                   -1 :              -0.00007368293215
                   +0 :               0.00006032371457
                   +1 :               0.00006864958779
                3d
                   -2 :              -0.00000667036506
                   -1 :               0.00000451911096
                   +0 :              -0.00000863345581
                   +1 :               0.00000592540750
                   +2 :              -0.00000414206873
             11 vec=     4.977489     14.852098      4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00000312132289
                2s
                   +0 :               0.00011805669247
                3s
                   +0 :              -0.00001365866354
                2p
                   -1 :               0.00013050478026
                   +0 :               0.00010169536711
                   +1 :               0.00005220810756
                3p
                   -1 :              -0.00001023921450
                   +0 :              -0.00004284432501
                   +1 :              -0.00001269819110
                3d
                   -2 :               0.00000165787125
                   -1 :              -0.00000829262480
                   +0 :              -0.00001686999026
                   +1 :              -0.00000789002288
                   +2 :               0.00000232656042
             12 vec=   -10.582837    -12.099176      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00003636892899
                2s
                   +0 :              -0.00025406302129
                3s
                   +0 :               0.00007590945920
                2p
                   -1 :               0.00006426909695
                   +0 :               0.00011331166809
                   +1 :               0.00013052181817
                3p
                   -1 :               0.00001433926080
                   +0 :              -0.00016253635707
                   +1 :              -0.00002537263207
                3d
                   -2 :               0.00000088048589
                   -1 :               0.00000130453568
                   +0 :               0.00000220815981
                   +1 :               0.00001384059634
                   +2 :              -0.00000418715271
             13 vec=    12.757651     10.360219      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00002074233000
                2s
                   +0 :               0.00014574148180
                3s
                   +0 :              -0.00005446584227
                2p
                   -1 :               0.00007372780198
                   +0 :               0.00004669900711
                   +1 :               0.00004814643065
                3p
                   -1 :              -0.00005116888923
                   +0 :              -0.00002067846639
                   +1 :              -0.00000819346009
                3d
                   -2 :               0.00000626299406
                   -1 :              -0.00000184279853
                   +0 :               0.00000658826493
                   +1 :               0.00000112568776
                   +2 :               0.00000112271368
             14 vec=    -2.802674    -16.591055      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00001752744081
                2s
                   +0 :              -0.00014060095966
                3s
                   +0 :               0.00003219332820
                2p
                   -1 :              -0.00005808406868
                   +0 :              -0.00000145576394
                   +1 :               0.00009319733469
                3p
                   -1 :               0.00012460200584
                   +0 :              -0.00003104893101
                   +1 :              -0.00006352328294
                3d
                   -2 :              -0.00000637387239
                   -1 :               0.00000139442166
                   +0 :              -0.00000468504225
                   +1 :              -0.00000214236045
                   +2 :               0.00000694504823
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 22)  npairs=  15
              1 vec=    -5.186256     -0.000299     -8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00035637848297
                2s
                   +0 :               0.00234744044235
                3s
                   +0 :              -0.00080754595049
                2p
                   -1 :              -0.00016220567892
                   +0 :              -0.00208272252083
                   +1 :              -0.00337249891750
                3p
                   -1 :              -0.00088699771539
                   +0 :              -0.00004877266258
                   +1 :               0.00172773021448
                3d
                   -2 :               0.00014227763599
                   -1 :               0.00013497093578
                   +0 :               0.00010610844684
                   +1 :              -0.00001894716722
                   +2 :              -0.00007735875510
              2 vec=     2.593906      4.491580     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00009295643520
                2s
                   +0 :              -0.00066769358109
                3s
                   +0 :               0.00048850264152
                2p
                   -1 :               0.00125574402346
                   +0 :              -0.00131877400443
                   +1 :              -0.00002692798133
                3p
                   -1 :              -0.00036713134803
                   +0 :               0.00048700498110
                   +1 :              -0.00012485923915
                3d
                   -2 :               0.00006949391984
                   -1 :              -0.00005325327588
                   +0 :              -0.00003488241619
                   +1 :               0.00009756946035
                   +2 :               0.00007320453411
              3 vec=     2.593906     -4.492178     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00027219439171
                2s
                   +0 :              -0.00250496121387
                3s
                   +0 :               0.00034765350362
                2p
                   -1 :              -0.00066230914481
                   +0 :               0.00114039242918
                   +1 :              -0.00149775038695
                3p
                   -1 :               0.00046845633580
                   +0 :              -0.00013080525452
                   +1 :               0.00020485570250
                3d
                   -2 :              -0.00009599174949
                   -1 :               0.00000257341744
                   +0 :               0.00001747748429
                   +1 :               0.00014190277254
                   +2 :              -0.00010909092864
              4 vec=    -5.186256      8.983459     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00003156803623
                2s
                   +0 :               0.00061919140822
                3s
                   +0 :              -0.00011649840576
                2p
                   -1 :               0.00063405458033
                   +0 :              -0.00051159449147
                   +1 :               0.00024476722464
                3p
                   -1 :              -0.00044623920755
                   +0 :               0.00031658433469
                   +1 :              -0.00014641479912
                3d
                   -2 :              -0.00000182714043
                   -1 :               0.00001459796733
                   +0 :              -0.00006235068291
                   +1 :               0.00000504918996
                   +2 :               0.00003228201433
              5 vec=    -5.186256     -8.984057     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000066915837
                2s
                   +0 :              -0.00017773967042
                3s
                   +0 :              -0.00002636935732
                2p
                   -1 :               0.00014951678490
                   +0 :              -0.00011894838490
                   +1 :               0.00005918709635
                3p
                   -1 :              -0.00001271772325
                   +0 :               0.00020526988222
                   +1 :              -0.00001145832645
                3d
                   -2 :              -0.00001399207311
                   -1 :              -0.00000346710063
                   +0 :              -0.00001743461373
                   +1 :              -0.00003894260030
                   +2 :              -0.00001451158567
              6 vec=    10.374069     -0.000299     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00009110900430
                2s
                   +0 :              -0.00050501679896
                3s
                   +0 :               0.00045077852097
                2p
                   -1 :              -0.00065534568663
                   +0 :               0.00022358899759
                   +1 :              -0.00030982373273
                3p
                   -1 :               0.00057856307835
                   +0 :              -0.00013653927432
                   +1 :               0.00050999046825
                3d
                   -2 :               0.00010987503489
                   -1 :              -0.00003779412291
                   +0 :              -0.00004191797134
                   +1 :              -0.00009449131812
                   +2 :               0.00005924135064
              7 vec=   -12.966419      4.491580     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00002445211561
                2s
                   +0 :               0.00015539815218
                3s
                   +0 :              -0.00004657216749
                2p
                   -1 :              -0.00004359205564
                   +0 :              -0.00000361916796
                   +1 :              -0.00013295978337
                3p
                   -1 :               0.00008872752903
                   +0 :               0.00002184430575
                   +1 :               0.00006117379401
                3d
                   -2 :              -0.00000993010844
                   -1 :              -0.00000211842320
                   +0 :              -0.00001291819765
                   +1 :              -0.00001309297928
                   +2 :              -0.00000536382194
              8 vec=   -12.966419     -4.492178     -8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00000503663633
                2s
                   +0 :              -0.00006000413817
                3s
                   +0 :              -0.00001239425121
                2p
                   -1 :               0.00000847077821
                   +0 :               0.00003204053195
                   +1 :               0.00000102951652
                3p
                   -1 :              -0.00000742199424
                   +0 :              -0.00000221976451
                   +1 :               0.00006184504970
                3d
                   -2 :              -0.00000001641166
                   -1 :              -0.00000700851465
                   +0 :               0.00000465308885
                   +1 :              -0.00000046854093
                   +2 :              -0.00001249361897
              9 vec=     2.593906     13.475338     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00004029253494
                2s
                   +0 :               0.00026683613480
                3s
                   +0 :              -0.00008972617032
                2p
                   -1 :              -0.00012709394274
                   +0 :              -0.00018917377534
                   +1 :               0.00015168577510
                3p
                   -1 :               0.00018511455962
                   +0 :               0.00013151945594
                   +1 :              -0.00012276955281
                3d
                   -2 :              -0.00001264589479
                   -1 :               0.00000995116538
                   +0 :               0.00000661600026
                   +1 :               0.00000279662776
                   +2 :              -0.00002752774651
             10 vec=    10.374069      8.983459     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00000144359627
                2s
                   +0 :              -0.00002585129869
                3s
                   +0 :              -0.00002207491764
                2p
                   -1 :              -0.00002562909636
                   +0 :               0.00016313606346
                   +1 :              -0.00016366621548
                3p
                   -1 :               0.00000376906133
                   +0 :              -0.00012828823022
                   +1 :               0.00005919305265
                3d
                   -2 :              -0.00001748179034
                   -1 :              -0.00000319274463
                   +0 :               0.00001083400178
                   +1 :               0.00001533454046
                   +2 :              -0.00001904294957
             11 vec=     2.593906    -13.475936     -8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00005653445553
                2s
                   +0 :               0.00039672682233
                3s
                   +0 :              -0.00013414693242
                2p
                   -1 :              -0.00015312248200
                   +0 :               0.00028314787961
                   +1 :               0.00003484295220
                3p
                   -1 :               0.00007825624004
                   +0 :              -0.00011797976101
                   +1 :               0.00010157087719
                3d
                   -2 :              -0.00001976523145
                   -1 :               0.00000118200599
                   +0 :              -0.00001481698349
                   +1 :              -0.00000033158051
                   +2 :               0.00000295830951
             12 vec=    10.374069     -8.984057     -8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00001380353996
                2s
                   +0 :              -0.00012013372459
                3s
                   +0 :               0.00001500669284
                2p
                   -1 :              -0.00002898571365
                   +0 :               0.00004249291277
                   +1 :               0.00002965116675
                3p
                   -1 :               0.00007840928703
                   +0 :               0.00000089317759
                   +1 :              -0.00005114786592
                3d
                   -2 :               0.00000918944915
                   -1 :              -0.00001466151646
                   +0 :               0.00001601938041
                   +1 :              -0.00000824547765
                   +2 :               0.00001273867397
             13 vec=    -5.186256     -0.000299     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00001509618104
                2s
                   +0 :               0.00005789130832
                3s
                   +0 :              -0.00005435393662
                2p
                   -1 :              -0.00011331822773
                   +0 :               0.00003275348153
                   +1 :              -0.00006710889495
                3p
                   -1 :               0.00005587639987
                   +0 :              -0.00006684020654
                   +1 :               0.00005778045854
                3d
                   -2 :               0.00000240978976
                   -1 :              -0.00000217929523
                   +0 :               0.00000115977172
                   +1 :               0.00000272396449
                   +2 :              -0.00000286527932
             14 vec=     2.593906      4.491580     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001700835638
                2s
                   +0 :               0.00010761612272
                3s
                   +0 :              -0.00004643639179
                2p
                   -1 :              -0.00006582943607
                   +0 :               0.00006896676710
                   +1 :               0.00001356835143
                3p
                   -1 :               0.00002997613832
                   +0 :              -0.00003086003793
                   +1 :               0.00000922062510
                3d
                   -2 :               0.00000612808858
                   -1 :               0.00000214446854
                   +0 :              -0.00000044219158
                   +1 :               0.00000584745140
                   +2 :               0.00000320628405
             15 vec=     2.593906     -4.492178     16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00002217306370
                2s
                   +0 :               0.00016289730596
                3s
                   +0 :              -0.00007201611637
                2p
                   -1 :              -0.00001158155342
                   +0 :               0.00009992048887
                   +1 :              -0.00011218495050
                3p
                   -1 :              -0.00001101633137
                   +0 :              -0.00004164698597
                   +1 :               0.00006410844550
                3d
                   -2 :               0.00000394940846
                   -1 :              -0.00000165441276
                   +0 :               0.00000453008906
                   +1 :               0.00000356725042
                   +2 :              -0.00000096543427
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 23)  npairs=  14
              1 vec=    -0.419091     -0.000299     -8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00026556778477
                2s
                   +0 :               0.00171713698909
                3s
                   +0 :              -0.00060198608719
                2p
                   -1 :              -0.00189981380037
                   +0 :              -0.00049787888676
                   +1 :               0.00082037013450
                3p
                   -1 :               0.00046286589011
                   +0 :              -0.00013247740601
                   +1 :              -0.00075628447679
                3d
                   -2 :              -0.00016133765475
                   -1 :              -0.00005767363545
                   +0 :               0.00027412266661
                   +1 :               0.00006674968193
                   +2 :               0.00007741315223
              2 vec=     7.361071      4.491580     -8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00002260574156
                2s
                   +0 :               0.00045840644825
                3s
                   +0 :              -0.00000838010246
                2p
                   -1 :               0.00010148874540
                   +0 :              -0.00030456088334
                   +1 :              -0.00013916689860
                3p
                   -1 :              -0.00022568682191
                   +0 :              -0.00001645286442
                   +1 :               0.00024034697713
                3d
                   -2 :              -0.00002052465918
                   -1 :               0.00001896162050
                   +0 :               0.00001292342906
                   +1 :              -0.00002597176098
                   +2 :               0.00003195015360
              3 vec=     7.361071     -4.492178     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00004778049719
                2s
                   +0 :               0.00013995571051
                3s
                   +0 :              -0.00022859851747
                2p
                   -1 :               0.00034825145771
                   +0 :              -0.00044084563449
                   +1 :              -0.00030330917022
                3p
                   -1 :              -0.00029350191904
                   +0 :               0.00030566919402
                   +1 :               0.00011618916615
                3d
                   -2 :              -0.00000168093267
                   -1 :               0.00002082460977
                   +0 :              -0.00002442817856
                   +1 :              -0.00000707402548
                   +2 :               0.00001977615496
              4 vec=    -0.419091      8.983459     -8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00033164253410
                2s
                   +0 :              -0.00170614196029
                3s
                   +0 :               0.00114437329953
                2p
                   -1 :              -0.00051003262082
                   +0 :               0.00104119128703
                   +1 :              -0.00143391644763
                3p
                   -1 :               0.00065923027089
                   +0 :              -0.00102698558584
                   +1 :               0.00119967763663
                3d
                   -2 :               0.00008302691660
                   -1 :              -0.00017645623447
                   +0 :               0.00007200549820
                   +1 :              -0.00013061493382
                   +2 :              -0.00005180743775
              5 vec=    -0.419091     -8.984057     -8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00007290345597
                2s
                   +0 :              -0.00022935487490
                3s
                   +0 :               0.00038268335855
                2p
                   -1 :               0.00062132089863
                   +0 :               0.00010333888799
                   +1 :               0.00031372996373
                3p
                   -1 :              -0.00042545438297
                   +0 :               0.00030055921962
                   +1 :              -0.00031598191510
                3d
                   -2 :               0.00008412145419
                   -1 :               0.00012691692563
                   +0 :              -0.00014826955625
                   +1 :               0.00003908841915
                   +2 :              -0.00022017675456
              6 vec=    -8.199254      4.491580     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00001497988841
                2s
                   +0 :               0.00013927423271
                3s
                   +0 :               0.00005261531047
                2p
                   -1 :              -0.00046418760473
                   +0 :              -0.00042834241074
                   +1 :              -0.00002324922984
                3p
                   -1 :               0.00026339221858
                   +0 :               0.00025490387956
                   +1 :              -0.00008606389471
                3d
                   -2 :              -0.00002061347795
                   -1 :               0.00000981410500
                   +0 :               0.00002886545667
                   +1 :              -0.00000841535371
                   +2 :              -0.00001502622684
              7 vec=    -8.199254     -4.492178     -8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00003307779205
                2s
                   +0 :               0.00006713199798
                3s
                   +0 :              -0.00017752058468
                2p
                   -1 :               0.00012138364741
                   +0 :               0.00008899611414
                   +1 :               0.00038381139078
                3p
                   -1 :              -0.00008127560468
                   +0 :              -0.00005780072791
                   +1 :              -0.00018373065804
                3d
                   -2 :              -0.00001894189367
                   -1 :              -0.00002252063430
                   +0 :               0.00002390546509
                   +1 :               0.00002247441993
                   +2 :               0.00003867899756
              8 vec=    -0.419091     -0.000299     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001458545700
                2s
                   +0 :               0.00008644636166
                3s
                   +0 :              -0.00004282292789
                2p
                   -1 :              -0.00000947880416
                   +0 :              -0.00003159069573
                   +1 :               0.00008599209491
                3p
                   -1 :              -0.00003930338031
                   +0 :               0.00000173379820
                   +1 :              -0.00007273645204
                3d
                   -2 :              -0.00000164001193
                   -1 :              -0.00000162628018
                   +0 :              -0.00000141878303
                   +1 :              -0.00000682460536
                   +2 :              -0.00000951042077
              9 vec=    15.141234     -0.000299     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00001789673642
                2s
                   +0 :               0.00012632244109
                3s
                   +0 :              -0.00003256561656
                2p
                   -1 :               0.00004016875610
                   +0 :               0.00007958320580
                   +1 :              -0.00005859524610
                3p
                   -1 :              -0.00006666119920
                   +0 :              -0.00005780651269
                   +1 :               0.00014178803684
                3d
                   -2 :              -0.00000282638663
                   -1 :               0.00000235030594
                   +0 :              -0.00001384853315
                   +1 :               0.00000436123863
                   +2 :               0.00001445770806
             10 vec=     7.361071     13.475338     -8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00001213983250
                2s
                   +0 :               0.00009439141477
                3s
                   +0 :              -0.00002473960145
                2p
                   -1 :               0.00004582326768
                   +0 :              -0.00006219249593
                   +1 :               0.00017833544615
                3p
                   -1 :               0.00000466659862
                   +0 :               0.00001315391933
                   +1 :              -0.00014267672425
                3d
                   -2 :              -0.00000354769147
                   -1 :              -0.00000972776812
                   +0 :              -0.00000579051525
                   +1 :               0.00000607397588
                   +2 :              -0.00000862507497
             11 vec=     7.361071    -13.475936     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00000041020572
                2s
                   +0 :              -0.00002778169804
                3s
                   +0 :               0.00000247812191
                2p
                   -1 :               0.00013332751445
                   +0 :               0.00005204667451
                   +1 :               0.00002628886127
                3p
                   -1 :              -0.00007094513658
                   +0 :               0.00003532524257
                   +1 :              -0.00000133502115
                3d
                   -2 :              -0.00000169989801
                   -1 :               0.00000506441222
                   +0 :              -0.00000949602371
                   +1 :               0.00000515612694
                   +2 :              -0.00000930063066
             12 vec=    -8.199254     13.475338     -8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00000334459061
                2s
                   +0 :              -0.00002623248935
                3s
                   +0 :               0.00003690855131
                2p
                   -1 :              -0.00003532738481
                   +0 :               0.00003195068971
                   +1 :              -0.00001708277454
                3p
                   -1 :               0.00005386177049
                   +0 :              -0.00006343710336
                   +1 :              -0.00001441116848
                3d
                   -2 :              -0.00000320554368
                   -1 :              -0.00000868157853
                   +0 :               0.00000652705370
                   +1 :              -0.00000044759587
                   +2 :              -0.00000748801073
             13 vec=    -8.199254    -13.475936     -8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00000507904925
                2s
                   +0 :               0.00005287999316
                3s
                   +0 :              -0.00003328798766
                2p
                   -1 :               0.00003344324528
                   +0 :               0.00001360329581
                   +1 :              -0.00013067366825
                3p
                   -1 :               0.00002550936368
                   +0 :               0.00004121534790
                   +1 :               0.00007938146672
                3d
                   -2 :              -0.00000211609402
                   -1 :              -0.00000646496996
                   +0 :              -0.00000080231811
                   +1 :              -0.00000155752395
                   +2 :               0.00000466444279
             14 vec=   -15.979417     -0.000299     -8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00001169144157
                2s
                   +0 :               0.00009359022751
                3s
                   +0 :              -0.00002798805866
                2p
                   -1 :              -0.00005655930951
                   +0 :               0.00002913750220
                   +1 :              -0.00006321936114
                3p
                   -1 :               0.00002481499650
                   +0 :              -0.00003010950858
                   +1 :               0.00000969573917
                3d
                   -2 :              -0.00000219847788
                   -1 :              -0.00000367306625
                   +0 :              -0.00000174474673
                   +1 :               0.00000247617331
                   +2 :              -0.00000144966695
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 24)  npairs=  15
              1 vec=    -2.802674     -4.128785     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00035693017589
                2s
                   +0 :              -0.00316877029991
                3s
                   +0 :               0.00067809953286
                2p
                   -1 :              -0.00090900520616
                   +0 :               0.00215438996520
                   +1 :               0.00199130222533
                3p
                   -1 :               0.00063134368849
                   +0 :              -0.00043693238208
                   +1 :              -0.00033111670897
                3d
                   -2 :               0.00004138947042
                   -1 :               0.00004388547883
                   +0 :               0.00011284360520
                   +1 :              -0.00010926144255
                   +2 :               0.00002454551406
              2 vec=     4.977489      0.363094     -8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00018836236857
                2s
                   +0 :               0.00158956695269
                3s
                   +0 :              -0.00027543170889
                2p
                   -1 :              -0.00264310044192
                   +0 :              -0.00224202902607
                   +1 :               0.00184621666510
                3p
                   -1 :               0.00129563331274
                   +0 :              -0.00001484545344
                   +1 :              -0.00015501305262
                3d
                   -2 :              -0.00004570196998
                   -1 :              -0.00010656877806
                   +0 :               0.00004177608430
                   +1 :              -0.00006204341937
                   +2 :               0.00006321906331
              3 vec=    -2.802674      4.854973     -8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00014411953288
                2s
                   +0 :               0.00058391749171
                3s
                   +0 :              -0.00021389528661
                2p
                   -1 :               0.00144896494926
                   +0 :               0.00101899804428
                   +1 :               0.00039577921932
                3p
                   -1 :              -0.00061150069413
                   +0 :              -0.00126188255023
                   +1 :              -0.00043318457340
                3d
                   -2 :               0.00009788378771
                   -1 :               0.00007265944196
                   +0 :              -0.00009023000755
                   +1 :              -0.00012684753888
                   +2 :              -0.00010169035387
              4 vec=     4.977489     -8.620664     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00011285339825
                2s
                   +0 :              -0.00099775832157
                3s
                   +0 :               0.00030322651363
                2p
                   -1 :               0.00053338784862
                   +0 :               0.00027150263423
                   +1 :              -0.00029091035025
                3p
                   -1 :              -0.00034216854826
                   +0 :              -0.00014952169491
                   +1 :               0.00015107030628
                3d
                   -2 :              -0.00001613188764
                   -1 :               0.00004677054273
                   +0 :               0.00001343918118
                   +1 :              -0.00000759426209
                   +2 :              -0.00001561859022
              5 vec=   -10.582837      0.363094     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00003882201930
                2s
                   +0 :              -0.00010209549560
                3s
                   +0 :               0.00021772304849
                2p
                   -1 :              -0.00019538763224
                   +0 :               0.00025133096622
                   +1 :               0.00008475412934
                3p
                   -1 :               0.00021022514942
                   +0 :              -0.00020401600211
                   +1 :              -0.00025886700164
                3d
                   -2 :              -0.00007598901466
                   -1 :              -0.00002602582128
                   +0 :              -0.00003324149902
                   +1 :               0.00005560064258
                   +2 :               0.00002676129368
              6 vec=     4.977489      9.346852     -8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00001604052949
                2s
                   +0 :               0.00029014437054
                3s
                   +0 :               0.00001872616572
                2p
                   -1 :               0.00009561372309
                   +0 :               0.00028362924372
                   +1 :               0.00001805265820
                3p
                   -1 :               0.00009840439314
                   +0 :              -0.00037212913791
                   +1 :              -0.00001445383696
                3d
                   -2 :              -0.00001722353364
                   -1 :              -0.00000398926458
                   +0 :              -0.00002181713411
                   +1 :              -0.00001785386334
                   +2 :              -0.00001512505709
              7 vec=    -2.802674    -13.112543     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00004539255975
                2s
                   +0 :               0.00040430801161
                3s
                   +0 :              -0.00004086263240
                2p
                   -1 :              -0.00008690679124
                   +0 :               0.00040853909552
                   +1 :               0.00012742451021
                3p
                   -1 :              -0.00007143997666
                   +0 :              -0.00017997947529
                   +1 :              -0.00023424935017
                3d
                   -2 :               0.00002781540327
                   -1 :              -0.00000615499649
                   +0 :              -0.00001623169157
                   +1 :              -0.00001145303592
                   +2 :              -0.00000141955277
              8 vec=    12.757651     -4.128785     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00001482797008
                2s
                   +0 :               0.00006608883754
                3s
                   +0 :              -0.00012228699381
                2p
                   -1 :              -0.00003441602904
                   +0 :              -0.00024756950468
                   +1 :               0.00006312898096
                3p
                   -1 :               0.00001661902715
                   +0 :               0.00024304621320
                   +1 :              -0.00014028432512
                3d
                   -2 :               0.00000764270224
                   -1 :              -0.00002805524265
                   +0 :               0.00000095009123
                   +1 :               0.00002548299668
                   +2 :              -0.00002384470316
              9 vec=   -10.582837     -8.620664     -8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00001949886984
                2s
                   +0 :               0.00011800196545
                3s
                   +0 :              -0.00008718627390
                2p
                   -1 :              -0.00003660604079
                   +0 :              -0.00006579228057
                   +1 :              -0.00009426047442
                3p
                   -1 :               0.00007387631928
                   +0 :               0.00007467313385
                   +1 :               0.00007759299958
                3d
                   -2 :              -0.00000893011203
                   -1 :              -0.00000159218849
                   +0 :              -0.00000329221938
                   +1 :              -0.00000598060342
                   +2 :               0.00000941290144
             10 vec=    12.757651      4.854973     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00000926729327
                2s
                   +0 :               0.00004820723192
                3s
                   +0 :              -0.00002983454808
                2p
                   -1 :               0.00016347326064
                   +0 :               0.00014279272823
                   +1 :               0.00007307415815
                3p
                   -1 :              -0.00011730192159
                   +0 :              -0.00011046788110
                   +1 :              -0.00004717879708
                3d
                   -2 :              -0.00001459426111
                   -1 :               0.00001026317574
                   +0 :               0.00001419427403
                   +1 :              -0.00000208511359
                   +2 :               0.00000322754328
             11 vec=   -10.582837      9.346852     -8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00000647805937
                2s
                   +0 :              -0.00007152831559
                3s
                   +0 :               0.00000831716417
                2p
                   -1 :               0.00000979199318
                   +0 :               0.00008870130097
                   +1 :               0.00012783851769
                3p
                   -1 :              -0.00006384152880
                   +0 :              -0.00007153522206
                   +1 :              -0.00006589447515
                3d
                   -2 :               0.00001492234000
                   -1 :               0.00001588048077
                   +0 :               0.00001020117311
                   +1 :              -0.00000857449151
                   +2 :               0.00000335503020
             12 vec=    -2.802674     13.838731     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000135846317
                2s
                   +0 :               0.00003744629535
                3s
                   +0 :               0.00005612201408
                2p
                   -1 :              -0.00003031006482
                   +0 :              -0.00001501558197
                   +1 :              -0.00007476187984
                3p
                   -1 :               0.00008686812837
                   +0 :              -0.00003895077743
                   +1 :               0.00005503772363
                3d
                   -2 :              -0.00000885223741
                   -1 :              -0.00000381894606
                   +0 :               0.00000393662002
                   +1 :               0.00001155939990
                   +2 :              -0.00001323573022
             13 vec=    -2.802674     -4.128785     16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00000970609825
                2s
                   +0 :              -0.00004799727273
                3s
                   +0 :               0.00004054648415
                2p
                   -1 :              -0.00006473224545
                   +0 :              -0.00004693965874
                   +1 :               0.00000535939127
                3p
                   -1 :               0.00003622848921
                   +0 :               0.00003753539688
                   +1 :              -0.00001037513625
                3d
                   -2 :               0.00000092170031
                   -1 :              -0.00000387661312
                   +0 :               0.00000864810715
                   +1 :               0.00000205287136
                   +2 :               0.00000301087626
             14 vec=     4.977489      0.363094     16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00000321965830
                2s
                   +0 :              -0.00005117040452
                3s
                   +0 :               0.00000124444798
                2p
                   -1 :              -0.00007293698953
                   +0 :              -0.00003194467867
                   +1 :               0.00000137148544
                3p
                   -1 :               0.00003492756655
                   +0 :              -0.00000984181956
                   +1 :              -0.00000656530314
                3d
                   -2 :               0.00000302317661
                   -1 :               0.00000314858392
                   +0 :               0.00000169743130
                   +1 :               0.00000210179244
                   +2 :               0.00000395596232
             15 vec=    -2.802674      4.854973     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000710333009
                2s
                   +0 :               0.00004993372234
                3s
                   +0 :              -0.00000800521519
                2p
                   -1 :              -0.00006297116262
                   +0 :               0.00001964151223
                   +1 :              -0.00004019443480
                3p
                   -1 :               0.00002452616752
                   +0 :               0.00004361358639
                   +1 :               0.00000216291611
                3d
                   -2 :              -0.00000218568174
                   -1 :               0.00000017159510
                   +0 :               0.00000486949730
                   +1 :              -0.00000421565891
                   +2 :               0.00000690475851
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 25)  npairs=  18
              1 vec=    -3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00012201092414
                2s
                   +0 :               0.00086752114054
                3s
                   +0 :              -0.00041160351613
                2p
                   -1 :               0.00015168906317
                   +0 :              -0.00038696026774
                   +1 :               0.00028632394163
                3p
                   -1 :              -0.00012981122371
                   +0 :               0.00027314133998
                   +1 :              -0.00030011688172
                3d
                   -2 :               0.00000540317986
                   -1 :               0.00000761564686
                   +0 :              -0.00004997440923
                   +1 :               0.00000987592347
                   +2 :               0.00002132473229
              2 vec=    -3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00009753104219
                2s
                   +0 :              -0.00069350999196
                3s
                   +0 :               0.00039744965908
                2p
                   -1 :               0.00013394481681
                   +0 :              -0.00065215792892
                   +1 :               0.00015649149920
                3p
                   -1 :              -0.00008272686703
                   +0 :               0.00057923076072
                   +1 :              -0.00004414458272
                3d
                   -2 :               0.00001234103837
                   -1 :              -0.00000646909743
                   +0 :               0.00003724824470
                   +1 :              -0.00000571181053
                   +2 :               0.00000281045585
              3 vec=     4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00005383982788
                2s
                   +0 :              -0.00052184632159
                3s
                   +0 :               0.00010219929294
                2p
                   -1 :              -0.00046233496024
                   +0 :               0.00025568111455
                   +1 :              -0.00025907801903
                3p
                   -1 :               0.00009134810278
                   +0 :              -0.00009563505444
                   +1 :               0.00006059746914
                3d
                   -2 :              -0.00000854652555
                   -1 :               0.00003319417471
                   +0 :              -0.00001021849489
                   +1 :               0.00001500075202
                   +2 :              -0.00002365335934
              4 vec=     4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00007956352077
                2s
                   +0 :              -0.00043098028128
                3s
                   +0 :               0.00021889244880
                2p
                   -1 :              -0.00013777780575
                   +0 :              -0.00034223630559
                   +1 :              -0.00020161782297
                3p
                   -1 :              -0.00017834028825
                   +0 :               0.00025404655034
                   +1 :              -0.00007749805614
                3d
                   -2 :              -0.00002414932033
                   -1 :              -0.00005487361895
                   +0 :               0.00002070681782
                   +1 :              -0.00003436599770
                   +2 :              -0.00000358171731
              5 vec=    -3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005647776130
                2s
                   +0 :              -0.00044104155983
                3s
                   +0 :               0.00015978940705
                2p
                   -1 :               0.00008310268159
                   +0 :               0.00037183659228
                   +1 :               0.00004477639706
                3p
                   -1 :               0.00008135903833
                   +0 :              -0.00014607943870
                   +1 :              -0.00002992408035
                3d
                   -2 :              -0.00000245214156
                   -1 :              -0.00001340290834
                   +0 :               0.00000094119406
                   +1 :               0.00000172971183
                   +2 :              -0.00000178645073
              6 vec=    -3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005250362928
                2s
                   +0 :              -0.00083919626456
                3s
                   +0 :               0.00006696585897
                2p
                   -1 :               0.00018910623903
                   +0 :              -0.00057921483079
                   +1 :              -0.00011338690404
                3p
                   -1 :               0.00007066278231
                   +0 :              -0.00002322960660
                   +1 :               0.00011340349461
                3d
                   -2 :              -0.00000364155496
                   -1 :               0.00002278868252
                   +0 :              -0.00002860851368
                   +1 :               0.00000714533213
                   +2 :               0.00002884413255
              7 vec=     4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00001032666712
                2s
                   +0 :               0.00006954929539
                3s
                   +0 :               0.00003235065903
                2p
                   -1 :              -0.00030017453679
                   +0 :               0.00004085550737
                   +1 :               0.00001973091900
                3p
                   -1 :               0.00025064903009
                   +0 :              -0.00011775774932
                   +1 :               0.00003507027155
                3d
                   -2 :               0.00002346357079
                   -1 :              -0.00001813072219
                   +0 :               0.00002339100616
                   +1 :              -0.00000242718545
                   +2 :               0.00001753010478
              8 vec=     4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002815685084
                2s
                   +0 :               0.00022588083429
                3s
                   +0 :              -0.00009634146299
                2p
                   -1 :              -0.00024321444909
                   +0 :               0.00016748525937
                   +1 :               0.00033681094250
                3p
                   -1 :               0.00018511261753
                   +0 :              -0.00011752191863
                   +1 :              -0.00019917933398
                3d
                   -2 :               0.00000681444369
                   -1 :               0.00000770281851
                   +0 :              -0.00002386501733
                   +1 :              -0.00000642737281
                   +2 :               0.00000021544620
              9 vec=   -10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000051001768
                2s
                   +0 :              -0.00002603667672
                3s
                   +0 :              -0.00002001089448
                2p
                   -1 :              -0.00002501882125
                   +0 :              -0.00002987569775
                   +1 :              -0.00000994399874
                3p
                   -1 :               0.00001523992709
                   +0 :               0.00001635028908
                   +1 :               0.00004199774748
                3d
                   -2 :              -0.00000091060872
                   -1 :               0.00000400563899
                   +0 :               0.00000006731951
                   +1 :              -0.00000093252332
                   +2 :              -0.00000232232358
             10 vec=   -10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002330475074
                2s
                   +0 :               0.00013156702245
                3s
                   +0 :              -0.00009635534349
                2p
                   -1 :              -0.00001470593188
                   +0 :               0.00008240049998
                   +1 :              -0.00016602532292
                3p
                   -1 :              -0.00000555571597
                   +0 :              -0.00008926214282
                   +1 :               0.00016789982475
                3d
                   -2 :              -0.00000028295949
                   -1 :               0.00000112732991
                   +0 :              -0.00000541016233
                   +1 :               0.00001030528947
                   +2 :              -0.00001292950976
             11 vec=    -3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002839586583
                2s
                   +0 :              -0.00012355327569
                3s
                   +0 :               0.00013060806239
                2p
                   -1 :              -0.00025495081872
                   +0 :               0.00020957560207
                   +1 :              -0.00008263887108
                3p
                   -1 :               0.00025025236145
                   +0 :              -0.00029515087507
                   +1 :               0.00004118234155
                3d
                   -2 :               0.00000142015455
                   -1 :              -0.00000917098685
                   +0 :               0.00001669486285
                   +1 :              -0.00000303203206
                   +2 :              -0.00000121949035
             12 vec=    -3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000775762825
                2s
                   +0 :              -0.00001245284570
                3s
                   +0 :               0.00003314565036
                2p
                   -1 :              -0.00003244096370
                   +0 :              -0.00000905117276
                   +1 :               0.00011235273063
                3p
                   -1 :               0.00005046250902
                   +0 :               0.00005261862880
                   +1 :              -0.00009660258905
                3d
                   -2 :              -0.00000792442511
                   -1 :              -0.00000244420018
                   +0 :               0.00000113702635
                   +1 :              -0.00001109207563
                   +2 :               0.00000241749274
             13 vec=   -10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000422316384
                2s
                   +0 :               0.00003630354373
                3s
                   +0 :              -0.00000958797200
                2p
                   -1 :              -0.00000131856563
                   +0 :              -0.00007138481901
                   +1 :               0.00002064963091
                3p
                   -1 :               0.00002804597953
                   +0 :               0.00003499044101
                   +1 :              -0.00003131458555
                3d
                   -2 :              -0.00000216252358
                   -1 :              -0.00000309532448
                   +0 :              -0.00000361124468
                   +1 :               0.00000185300114
                   +2 :               0.00000252894209
             14 vec=   -10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001331060333
                2s
                   +0 :               0.00012430347290
                3s
                   +0 :              -0.00002928758263
                2p
                   -1 :              -0.00003765365577
                   +0 :               0.00004076606192
                   +1 :              -0.00010999375992
                3p
                   -1 :               0.00005884887668
                   +0 :               0.00001723715906
                   +1 :               0.00005120479692
                3d
                   -2 :              -0.00000374341089
                   -1 :               0.00000250932782
                   +0 :               0.00000326866816
                   +1 :               0.00000188378682
                   +2 :              -0.00000055059636
             15 vec=     4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000099215382
                2s
                   +0 :               0.00002687785427
                3s
                   +0 :               0.00000834996198
                2p
                   -1 :               0.00001324297129
                   +0 :              -0.00002382358070
                   +1 :               0.00011385738239
                3p
                   -1 :              -0.00000389864281
                   +0 :               0.00003947352152
                   +1 :              -0.00006314550690
                3d
                   -2 :              -0.00000294197927
                   -1 :               0.00000282110443
                   +0 :              -0.00000830101367
                   +1 :               0.00000623088418
                   +2 :              -0.00000214219001
             16 vec=     4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000333223388
                2s
                   +0 :              -0.00005240715899
                3s
                   +0 :              -0.00000142847959
                2p
                   -1 :               0.00009683728412
                   +0 :              -0.00002886336842
                   +1 :              -0.00000346525966
                3p
                   -1 :              -0.00005099166724
                   +0 :               0.00000028444482
                   +1 :              -0.00000183521154
                3d
                   -2 :              -0.00000210742930
                   -1 :              -0.00000314562508
                   +0 :              -0.00000209634944
                   +1 :               0.00000196079545
                   +2 :               0.00000065200644
             17 vec=    12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002001644581
                2s
                   +0 :               0.00014638651749
                3s
                   +0 :              -0.00005374643397
                2p
                   -1 :              -0.00000150848583
                   +0 :              -0.00009707052233
                   +1 :              -0.00003556383615
                3p
                   -1 :               0.00000855199301
                   +0 :               0.00006519495067
                   +1 :               0.00007010017413
                3d
                   -2 :               0.00000841767427
                   -1 :              -0.00000428721126
                   +0 :              -0.00000196909808
                   +1 :               0.00000458951071
                   +2 :              -0.00000076817922
             18 vec=    12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001437355550
                2s
                   +0 :              -0.00009900199146
                3s
                   +0 :               0.00005433193600
                2p
                   -1 :              -0.00004511228285
                   +0 :              -0.00009540813072
                   +1 :              -0.00006224939667
                3p
                   -1 :               0.00002006412431
                   +0 :               0.00006376761331
                   +1 :               0.00005071678384
                3d
                   -2 :               0.00000754822819
                   -1 :               0.00000168343137
                   +0 :               0.00000489349670
                   +1 :               0.00001009322874
                   +2 :               0.00000881885934
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 26)  npairs=  14
              1 vec=     0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00000097025008
                2s
                   +0 :               0.00003703656843
                3s
                   +0 :              -0.00005936628375
                2p
                   -1 :              -0.00028845307472
                   +0 :               0.00005636176506
                   +1 :              -0.00015144819494
                3p
                   -1 :               0.00017308406603
                   +0 :              -0.00009089597708
                   +1 :               0.00009581040909
                3d
                   -2 :               0.00000545515871
                   -1 :               0.00000319697684
                   +0 :               0.00002383277615
                   +1 :               0.00001128139716
                   +2 :              -0.00001457062266
              2 vec=     0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00001188282302
                2s
                   +0 :              -0.00033036107393
                3s
                   +0 :               0.00002761519541
                2p
                   -1 :              -0.00016742950111
                   +0 :              -0.00004746183030
                   +1 :              -0.00002318751800
                3p
                   -1 :               0.00000188479336
                   +0 :              -0.00001101948331
                   +1 :              -0.00001446309197
                3d
                   -2 :              -0.00001262349990
                   -1 :              -0.00001697892186
                   +0 :              -0.00000667315176
                   +1 :              -0.00000048625024
                   +2 :               0.00000284428169
              3 vec=     0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004043946878
                2s
                   +0 :               0.00042797732433
                3s
                   +0 :              -0.00002662397064
                2p
                   -1 :               0.00012077130045
                   +0 :              -0.00036801276440
                   +1 :               0.00014080028026
                3p
                   -1 :               0.00001704617006
                   +0 :               0.00007530693364
                   +1 :              -0.00016017369147
                3d
                   -2 :              -0.00003341719065
                   -1 :              -0.00002134776206
                   +0 :               0.00004511829152
                   +1 :               0.00001994657063
                   +2 :              -0.00001798969271
              4 vec=     0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001038368163
                2s
                   +0 :               0.00031712551192
                3s
                   +0 :               0.00012943475821
                2p
                   -1 :               0.00003418236028
                   +0 :               0.00001568230717
                   +1 :              -0.00026786356798
                3p
                   -1 :               0.00003964496658
                   +0 :               0.00034325326675
                   +1 :               0.00017239021856
                3d
                   -2 :               0.00000205816566
                   -1 :               0.00003067651429
                   +0 :               0.00005722097578
                   +1 :              -0.00000479321035
                   +2 :              -0.00000099058434
              5 vec=    -7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000471242648
                2s
                   +0 :               0.00009557136573
                3s
                   +0 :               0.00005082141709
                2p
                   -1 :               0.00024402672871
                   +0 :               0.00010466937951
                   +1 :              -0.00002691329240
                3p
                   -1 :              -0.00016319694180
                   +0 :              -0.00024878089368
                   +1 :              -0.00004543398527
                3d
                   -2 :              -0.00001408110245
                   -1 :              -0.00000083498774
                   +0 :               0.00002828811776
                   +1 :               0.00002608749837
                   +2 :               0.00000417369086
              6 vec=    -7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000149943768
                2s
                   +0 :               0.00016784107591
                3s
                   +0 :               0.00001882819668
                2p
                   -1 :              -0.00004743234567
                   +0 :              -0.00008644682728
                   +1 :               0.00007753845240
                3p
                   -1 :               0.00010437671216
                   +0 :               0.00025596076525
                   +1 :              -0.00009897338351
                3d
                   -2 :              -0.00000686932161
                   -1 :               0.00002649114955
                   +0 :               0.00001920585217
                   +1 :              -0.00001759883414
                   +2 :               0.00001993693881
              7 vec=     7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00006225490437
                2s
                   +0 :               0.00057511177377
                3s
                   +0 :              -0.00016969726325
                2p
                   -1 :               0.00004898283688
                   +0 :              -0.00047208663083
                   +1 :               0.00036305558029
                3p
                   -1 :              -0.00000433976794
                   +0 :               0.00017073184323
                   +1 :              -0.00018223694936
                3d
                   -2 :               0.00000455587728
                   -1 :              -0.00001468918646
                   +0 :               0.00000357366446
                   +1 :              -0.00000272185290
                   +2 :              -0.00000661308604
              8 vec=     7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002378367323
                2s
                   +0 :               0.00023896742488
                3s
                   +0 :              -0.00004143947645
                2p
                   -1 :               0.00023113450609
                   +0 :               0.00010536673162
                   +1 :              -0.00000873882450
                3p
                   -1 :              -0.00012633939318
                   +0 :               0.00001191613574
                   +1 :               0.00003851273323
                3d
                   -2 :               0.00000899160958
                   -1 :               0.00001363845869
                   +0 :               0.00000218691877
                   +1 :              -0.00000148695889
                   +2 :               0.00000781149256
              9 vec=    -7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000670143895
                2s
                   +0 :              -0.00004948097365
                3s
                   +0 :               0.00001197312264
                2p
                   -1 :              -0.00007259396527
                   +0 :              -0.00006051134089
                   +1 :               0.00001650554634
                3p
                   -1 :               0.00007396851819
                   +0 :               0.00009882377443
                   +1 :              -0.00001172158618
                3d
                   -2 :               0.00000160387983
                   -1 :              -0.00000306408087
                   +0 :              -0.00000285134747
                   +1 :               0.00000288347399
                   +2 :               0.00000740530904
             10 vec=    -7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002748991037
                2s
                   +0 :              -0.00018740388556
                3s
                   +0 :               0.00009181052672
                2p
                   -1 :              -0.00001498009041
                   +0 :              -0.00022908887027
                   +1 :               0.00008175447968
                3p
                   -1 :               0.00002185718581
                   +0 :               0.00013466794889
                   +1 :              -0.00006023599815
                3d
                   -2 :               0.00000643939610
                   -1 :              -0.00000680689640
                   +0 :               0.00000530739007
                   +1 :              -0.00000844001495
                   +2 :              -0.00000580563379
             11 vec=     7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000991586169
                2s
                   +0 :              -0.00011848786081
                3s
                   +0 :               0.00002303099891
                2p
                   -1 :               0.00007168025944
                   +0 :               0.00008775595821
                   +1 :              -0.00008761145039
                3p
                   -1 :              -0.00005530855627
                   +0 :              -0.00001236696217
                   +1 :               0.00003446642835
                3d
                   -2 :              -0.00000284092866
                   -1 :               0.00000098158633
                   +0 :              -0.00001309249742
                   +1 :               0.00000079515531
                   +2 :               0.00000139072662
             12 vec=     7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001408592064
                2s
                   +0 :              -0.00008862360772
                3s
                   +0 :               0.00002117041126
                2p
                   -1 :               0.00000219352801
                   +0 :              -0.00001631693994
                   +1 :              -0.00002467936757
                3p
                   -1 :              -0.00002130407921
                   +0 :              -0.00003172379547
                   +1 :              -0.00002158728313
                3d
                   -2 :               0.00000017336297
                   -1 :               0.00000167880570
                   +0 :              -0.00000889725928
                   +1 :              -0.00000483148078
                   +2 :               0.00000664672275
             13 vec=     0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00006398517732
                2s
                   +0 :               0.00056890033660
                3s
                   +0 :              -0.00009984792270
                2p
                   -1 :               0.00022298871733
                   +0 :              -0.00015155938053
                   +1 :               0.00000108420167
                3p
                   -1 :              -0.00020650304358
                   +0 :              -0.00002097541156
                   +1 :               0.00003042178722
                3d
                   -2 :              -0.00000306066284
                   -1 :               0.00001607815575
                   +0 :               0.00002358538218
                   +1 :              -0.00001076019360
                   +2 :              -0.00001258129749
             14 vec=     0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001392956218
                2s
                   +0 :              -0.00014746134109
                3s
                   +0 :               0.00001043772034
                2p
                   -1 :               0.00008752821583
                   +0 :              -0.00006042587129
                   +1 :               0.00000605163071
                3p
                   -1 :               0.00001419803702
                   +0 :              -0.00002072320592
                   +1 :              -0.00001813877011
                3d
                   -2 :               0.00000426662304
                   -1 :               0.00000139232665
                   +0 :              -0.00000149646430
                   +1 :              -0.00000325507592
                   +2 :               0.00000194315900
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 27)  npairs=  14
              1 vec=     2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006166321510
                2s
                   +0 :               0.00057240054889
                3s
                   +0 :              -0.00019126501074
                2p
                   -1 :               0.00014017728030
                   +0 :              -0.00017430812044
                   +1 :               0.00000876349925
                3p
                   -1 :              -0.00014845442496
                   +0 :               0.00003978000336
                   +1 :               0.00001370719367
                3d
                   -2 :              -0.00000734158448
                   -1 :               0.00000844921704
                   +0 :              -0.00001553471098
                   +1 :              -0.00000309393538
                   +2 :              -0.00001104248102
              2 vec=     2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005853499499
                2s
                   +0 :              -0.00047548561697
                3s
                   +0 :               0.00027249899089
                2p
                   -1 :              -0.00010312814337
                   +0 :              -0.00034143121442
                   +1 :              -0.00011856638109
                3p
                   -1 :               0.00008717316398
                   +0 :               0.00030053328959
                   +1 :               0.00000759085265
                3d
                   -2 :              -0.00000998405200
                   -1 :              -0.00000655299339
                   +0 :               0.00001914682345
                   +1 :               0.00000895099081
                   +2 :               0.00000351661056
              3 vec=    -5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001958123216
                2s
                   +0 :              -0.00014064680456
                3s
                   +0 :              -0.00017547451360
                2p
                   -1 :              -0.00058843899772
                   +0 :               0.00013746843058
                   +1 :               0.00011855737646
                3p
                   -1 :               0.00028851118375
                   +0 :               0.00011609092437
                   +1 :               0.00008557716423
                3d
                   -2 :              -0.00001418326361
                   -1 :              -0.00000316923824
                   +0 :              -0.00003040657790
                   +1 :              -0.00004193860671
                   +2 :              -0.00000868930518
              4 vec=    -5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000197067005
                2s
                   +0 :              -0.00018858794439
                3s
                   +0 :              -0.00000717009337
                2p
                   -1 :              -0.00044820248684
                   +0 :              -0.00029880559604
                   +1 :               0.00056458811037
                3p
                   -1 :               0.00007574605714
                   +0 :               0.00006427124015
                   +1 :              -0.00022649050736
                3d
                   -2 :               0.00000851066449
                   -1 :              -0.00001392245304
                   +0 :              -0.00000552184163
                   +1 :               0.00001727584190
                   +2 :              -0.00002361985929
              5 vec=    -5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00002615840353
                2s
                   +0 :              -0.00014018871346
                3s
                   +0 :               0.00005927102491
                2p
                   -1 :               0.00016965656481
                   +0 :              -0.00025812841008
                   +1 :              -0.00035843968155
                3p
                   -1 :              -0.00020516715486
                   +0 :               0.00026051809086
                   +1 :               0.00033058866684
                3d
                   -2 :               0.00004227725500
                   -1 :               0.00000363659202
                   +0 :              -0.00002210927294
                   +1 :              -0.00002612496268
                   +2 :              -0.00000582469162
              6 vec=    -5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002073705502
                2s
                   +0 :               0.00011626183306
                3s
                   +0 :              -0.00005538878023
                2p
                   -1 :               0.00012579492399
                   +0 :               0.00014463105930
                   +1 :               0.00015750068333
                3p
                   -1 :              -0.00013919776123
                   +0 :              -0.00014038388397
                   +1 :              -0.00015246754260
                3d
                   -2 :               0.00000363146230
                   -1 :              -0.00001868309194
                   +0 :              -0.00003455888691
                   +1 :              -0.00000893492210
                   +2 :               0.00000381808402
              7 vec=     2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004864672149
                2s
                   +0 :              -0.00042686314240
                3s
                   +0 :               0.00014038426402
                2p
                   -1 :              -0.00001622676117
                   +0 :               0.00024723859517
                   +1 :               0.00003323625113
                3p
                   -1 :               0.00010158567085
                   +0 :              -0.00006738636255
                   +1 :               0.00001950414741
                3d
                   -2 :               0.00000017090564
                   -1 :              -0.00001055469792
                   +0 :               0.00000725350133
                   +1 :              -0.00000387345693
                   +2 :              -0.00000334899851
              8 vec=     2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00007661533454
                2s
                   +0 :              -0.00067408024829
                3s
                   +0 :               0.00014796972674
                2p
                   -1 :               0.00022852494783
                   +0 :              -0.00042765232879
                   +1 :              -0.00011591459335
                3p
                   -1 :              -0.00006189324488
                   +0 :               0.00009361581702
                   +1 :               0.00009124539222
                3d
                   -2 :              -0.00000896124903
                   -1 :               0.00002018875388
                   +0 :              -0.00001008169768
                   +1 :               0.00001062037772
                   +2 :              -0.00000426634338
              9 vec=     2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00004378672290
                2s
                   +0 :               0.00029013286167
                3s
                   +0 :              -0.00011626219263
                2p
                   -1 :               0.00040714435353
                   +0 :              -0.00027110235720
                   +1 :              -0.00009809507674
                3p
                   -1 :              -0.00031947798930
                   +0 :               0.00013156008946
                   +1 :               0.00013310927401
                3d
                   -2 :               0.00000028482413
                   -1 :               0.00002748922011
                   +0 :              -0.00000872081494
                   +1 :              -0.00000413042563
                   +2 :               0.00001129592738
             10 vec=     2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000364981416
                2s
                   +0 :              -0.00000136596289
                3s
                   +0 :               0.00001818029177
                2p
                   -1 :               0.00008103721610
                   +0 :              -0.00017178231935
                   +1 :              -0.00025739977569
                3p
                   -1 :              -0.00005363121001
                   +0 :               0.00019855309869
                   +1 :               0.00024636969923
                3d
                   -2 :               0.00001919200040
                   -1 :              -0.00000562753168
                   +0 :               0.00001288700016
                   +1 :               0.00002762376040
                   +2 :               0.00000201622363
             11 vec=    10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002568810485
                2s
                   +0 :              -0.00017005594477
                3s
                   +0 :               0.00004195530651
                2p
                   -1 :               0.00008276446580
                   +0 :               0.00010927439268
                   +1 :               0.00024583638190
                3p
                   -1 :              -0.00007901390442
                   +0 :              -0.00007833806254
                   +1 :              -0.00023944522796
                3d
                   -2 :               0.00000146116454
                   -1 :               0.00001245630538
                   +0 :              -0.00000021482997
                   +1 :               0.00001347464523
                   +2 :              -0.00001417047967
             12 vec=    10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001847517922
                2s
                   +0 :               0.00012998900014
                3s
                   +0 :              -0.00007612200357
                2p
                   -1 :              -0.00012390216090
                   +0 :               0.00012641462386
                   +1 :               0.00002867159212
                3p
                   -1 :               0.00012491779494
                   +0 :              -0.00011157002784
                   +1 :              -0.00001195951948
                3d
                   -2 :               0.00000939417486
                   -1 :               0.00000526629277
                   +0 :              -0.00000989402859
                   +1 :              -0.00000304872861
                   +2 :               0.00000742418278
             13 vec=    10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000566922562
                2s
                   +0 :              -0.00002329166389
                3s
                   +0 :               0.00002724132866
                2p
                   -1 :              -0.00001968913075
                   +0 :              -0.00006014472029
                   +1 :              -0.00001670305770
                3p
                   -1 :               0.00005574946705
                   +0 :               0.00002403492874
                   +1 :               0.00005548683234
                3d
                   -2 :               0.00000043971418
                   -1 :              -0.00000436452529
                   +0 :               0.00000059165678
                   +1 :              -0.00000557223512
                   +2 :              -0.00000143741737
             14 vec=    10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002387744910
                2s
                   +0 :               0.00020367423989
                3s
                   +0 :              -0.00007764177174
                2p
                   -1 :               0.00008725968301
                   +0 :               0.00018471783220
                   +1 :               0.00012522001103
                3p
                   -1 :              -0.00004908253353
                   +0 :              -0.00008906082565
                   +1 :              -0.00006326483767
                3d
                   -2 :               0.00000434373012
                   -1 :              -0.00000509183267
                   +0 :              -0.00000578713090
                   +1 :               0.00000165433276
                   +2 :               0.00000212684462
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 28)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00088756694308
                2s
                   +0 :              -0.00078548160260
                3s
                   +0 :              -0.00355913834117
                2p
                   -1 :               0.87882002108583
                   +0 :               0.02635933058743
                   +1 :               0.00852198504587
                3p
                   -1 :              -0.04300261692067
                   +0 :              -0.00936143495193
                   +1 :              -0.00380015388343
                3d
                   -2 :               0.00072111343476
                   -1 :              -0.00223884195719
                   +0 :              -0.00070081945466
                   +1 :               0.00184971979638
                   +2 :              -0.00295956464845
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027164225876
                2s
                   +0 :              -0.00171008728858
                3s
                   +0 :               0.00079926691148
                2p
                   -1 :              -0.00241739756128
                   +0 :               0.00008533829061
                   +1 :               0.00367289431050
                3p
                   -1 :               0.00072372811856
                   +0 :              -0.00003475707816
                   +1 :              -0.00159936169993
                3d
                   -2 :              -0.00002598120373
                   -1 :               0.00007594189086
                   +0 :              -0.00009115290662
                   +1 :               0.00001197528086
                   +2 :              -0.00007125243727
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027441164686
                2s
                   +0 :               0.00099499861008
                3s
                   +0 :              -0.00012395951115
                2p
                   -1 :              -0.00114766157995
                   +0 :              -0.00015811340801
                   +1 :              -0.00156360286536
                3p
                   -1 :              -0.00076604310117
                   +0 :               0.00018844916472
                   +1 :              -0.00067388015558
                3d
                   -2 :               0.00029673451199
                   -1 :               0.00000897706535
                   +0 :              -0.00005069178751
                   +1 :               0.00020100994513
                   +2 :               0.00033333617382
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028563457089
                2s
                   +0 :              -0.00164903265779
                3s
                   +0 :               0.00045024519455
                2p
                   -1 :               0.00133153223219
                   +0 :               0.00144177913220
                   +1 :              -0.00059577362021
                3p
                   -1 :               0.00002581385370
                   +0 :              -0.00138937611788
                   +1 :               0.00123613727452
                3d
                   -2 :              -0.00024025161745
                   -1 :               0.00001589941086
                   +0 :               0.00012542854468
                   +1 :              -0.00000406051383
                   +2 :              -0.00013451020457
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00007218041506
                2s
                   +0 :               0.00006480295022
                3s
                   +0 :               0.00021306811256
                2p
                   -1 :               0.00024308896493
                   +0 :              -0.00004112360745
                   +1 :              -0.00253992269802
                3p
                   -1 :               0.00080264405108
                   +0 :               0.00012190402436
                   +1 :               0.00100639609519
                3d
                   -2 :              -0.00012969188260
                   -1 :               0.00001995161362
                   +0 :               0.00017766805219
                   +1 :              -0.00015167162081
                   +2 :              -0.00020587317034
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00004882751932
                2s
                   +0 :              -0.00043881890627
                3s
                   +0 :              -0.00016857150278
                2p
                   -1 :              -0.00232663670758
                   +0 :              -0.00034853609275
                   +1 :              -0.00376069510050
                3p
                   -1 :               0.00029079467932
                   +0 :               0.00032395610572
                   +1 :               0.00116623380412
                3d
                   -2 :              -0.00013526528109
                   -1 :              -0.00003565123451
                   +0 :              -0.00003485586252
                   +1 :               0.00004827792969
                   +2 :              -0.00005815769985
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00034801020456
                2s
                   +0 :               0.00174788717311
                3s
                   +0 :              -0.00113688365708
                2p
                   -1 :              -0.00211160575720
                   +0 :               0.00022675279558
                   +1 :               0.00196058701107
                3p
                   -1 :               0.00038795877231
                   +0 :              -0.00034008118994
                   +1 :              -0.00151141984599
                3d
                   -2 :              -0.00019547751236
                   -1 :              -0.00003970260109
                   +0 :               0.00000112881489
                   +1 :               0.00000922970229
                   +2 :              -0.00002022208485
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001451455123
                2s
                   +0 :               0.00008900130874
                3s
                   +0 :              -0.00004881017384
                2p
                   -1 :              -0.00002340082114
                   +0 :              -0.00013252480164
                   +1 :               0.00008083693502
                3p
                   -1 :              -0.00002082465739
                   +0 :               0.00011342098605
                   +1 :              -0.00009030103683
                3d
                   -2 :              -0.00001034008089
                   -1 :              -0.00000168885593
                   +0 :              -0.00001763291421
                   +1 :              -0.00000756288820
                   +2 :               0.00001287091400
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005785669302
                2s
                   +0 :              -0.00082816534199
                3s
                   +0 :               0.00005641910979
                2p
                   -1 :               0.00083683782227
                   +0 :               0.00015188917238
                   +1 :               0.00029493888812
                3p
                   -1 :              -0.00007710584975
                   +0 :              -0.00008710727068
                   +1 :               0.00001779265817
                3d
                   -2 :              -0.00003335739959
                   -1 :              -0.00000008012526
                   +0 :               0.00001973409878
                   +1 :               0.00000616268591
                   +2 :               0.00002752617269
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000509879787
                2s
                   +0 :               0.00059651924949
                3s
                   +0 :               0.00007084265255
                2p
                   -1 :               0.00086803910876
                   +0 :              -0.00034390386111
                   +1 :              -0.00073181343881
                3p
                   -1 :              -0.00020513713741
                   +0 :               0.00033768755559
                   +1 :               0.00025256564208
                3d
                   -2 :               0.00000557255345
                   -1 :               0.00004989667369
                   +0 :               0.00001343851391
                   +1 :              -0.00000730353516
                   +2 :              -0.00003516919276
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00009926224256
                2s
                   +0 :              -0.00114139480036
                3s
                   +0 :               0.00016160765573
                2p
                   -1 :               0.00085398316209
                   +0 :              -0.00006258707552
                   +1 :              -0.00054184554387
                3p
                   -1 :              -0.00006451831630
                   +0 :               0.00007696238393
                   +1 :               0.00003495392512
                3d
                   -2 :               0.00005377358842
                   -1 :              -0.00001836852390
                   +0 :               0.00003215472771
                   +1 :              -0.00001321707413
                   +2 :               0.00001881417728
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00009164414214
                2s
                   +0 :               0.00113321364745
                3s
                   +0 :              -0.00015544998821
                2p
                   -1 :               0.00087967212327
                   +0 :               0.00015260171573
                   +1 :               0.00092835692656
                3p
                   -1 :              -0.00010531070815
                   +0 :              -0.00009426115363
                   +1 :              -0.00023328373142
                3d
                   -2 :               0.00004398308590
                   -1 :              -0.00000460480703
                   +0 :              -0.00001344930016
                   +1 :              -0.00000352571452
                   +2 :              -0.00002525130716
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003485608052
                2s
                   +0 :              -0.00024375422057
                3s
                   +0 :               0.00011954631569
                2p
                   -1 :              -0.00013133182067
                   +0 :               0.00010815334710
                   +1 :              -0.00023626738917
                3p
                   -1 :               0.00006930859492
                   +0 :              -0.00010764985229
                   +1 :               0.00015607421125
                3d
                   -2 :               0.00000314397294
                   -1 :              -0.00000221824929
                   +0 :              -0.00000500282439
                   +1 :               0.00000182274716
                   +2 :               0.00000816633005
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000358236089
                2s
                   +0 :              -0.00007009624600
                3s
                   +0 :              -0.00000481593343
                2p
                   -1 :              -0.00001797649762
                   +0 :               0.00004374953216
                   +1 :               0.00005578293590
                3p
                   -1 :               0.00002142266560
                   +0 :              -0.00003739967898
                   +1 :               0.00001669198439
                3d
                   -2 :              -0.00000107240059
                   -1 :               0.00000081941089
                   +0 :               0.00000150452105
                   +1 :               0.00000421200482
                   +2 :              -0.00000271059792
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000801398553
                2s
                   +0 :               0.00007199570882
                3s
                   +0 :              -0.00000604820902
                2p
                   -1 :               0.00005715556407
                   +0 :              -0.00001885908023
                   +1 :              -0.00001910446985
                3p
                   -1 :              -0.00000590476140
                   +0 :               0.00001323209398
                   +1 :              -0.00001204688344
                3d
                   -2 :               0.00000113053896
                   -1 :               0.00000418463271
                   +0 :               0.00000064491289
                   +1 :              -0.00000217988231
                   +2 :              -0.00000323637291
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002013806446
                2s
                   +0 :              -0.00021261049467
                3s
                   +0 :               0.00004596020240
                2p
                   -1 :               0.00020421599972
                   +0 :               0.00001555866928
                   +1 :              -0.00005946840789
                3p
                   -1 :              -0.00003809773944
                   +0 :               0.00000984626771
                   +1 :               0.00004331637481
                3d
                   -2 :              -0.00000134315778
                   -1 :              -0.00000431126916
                   +0 :               0.00000221919049
                   +1 :              -0.00000471835690
                   +2 :               0.00000012680112
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000627679009
                2s
                   +0 :               0.00012864664191
                3s
                   +0 :               0.00000184368325
                2p
                   -1 :               0.00013893620819
                   +0 :               0.00004514085163
                   +1 :               0.00000747065947
                3p
                   -1 :               0.00000690777918
                   +0 :              -0.00003168901561
                   +1 :              -0.00000553876707
                3d
                   -2 :               0.00000042545338
                   -1 :              -0.00000208673999
                   +0 :              -0.00000339533055
                   +1 :               0.00000264115196
                   +2 :               0.00000042397726
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001045449615
                2s
                   +0 :              -0.00010594914837
                3s
                   +0 :               0.00001615831471
                2p
                   -1 :               0.00004429847904
                   +0 :               0.00000915657435
                   +1 :              -0.00004752481101
                3p
                   -1 :               0.00001223387078
                   +0 :              -0.00000847003994
                   +1 :               0.00000943670359
                3d
                   -2 :               0.00000327488435
                   -1 :               0.00000116129279
                   +0 :              -0.00000105926588
                   +1 :              -0.00000024300960
                   +2 :               0.00000421014589
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001850981695
                2s
                   +0 :               0.00016118540299
                3s
                   +0 :              -0.00004091679967
                2p
                   -1 :               0.00000041820067
                   +0 :              -0.00005796084733
                   +1 :               0.00018833051910
                3p
                   -1 :               0.00000558075716
                   +0 :               0.00005417919767
                   +1 :              -0.00008369652731
                3d
                   -2 :               0.00000081725150
                   -1 :               0.00000209253904
                   +0 :              -0.00000235381899
                   +1 :               0.00000420264571
                   +2 :              -0.00000014580986
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 29)  npairs=  12
              1 vec=     4.768202      0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00104052843239
                2s
                   +0 :               0.00300342931638
                3s
                   +0 :              -0.00217031906572
                2p
                   -1 :              -0.01138755630231
                   +0 :              -0.00162631809732
                   +1 :              -0.00544481421715
                3p
                   -1 :               0.00028361163236
                   +0 :               0.00002559240638
                   +1 :               0.00273286842453
                3d
                   -2 :              -0.00122241149233
                   -1 :               0.00008641910741
                   +0 :              -0.00075035190303
                   +1 :               0.00001469301282
                   +2 :               0.00006675664750
              2 vec=    -3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00234052778686
                2s
                   +0 :              -0.04768869028026
                3s
                   +0 :               0.00354642095324
                2p
                   -1 :               0.02485595131950
                   +0 :               0.00122900128025
                   +1 :               0.02076856296064
                3p
                   -1 :               0.00157324407790
                   +0 :              -0.00165353138755
                   +1 :              -0.00245238081046
                3d
                   -2 :              -0.00204403014125
                   -1 :               0.00083023928578
                   +0 :               0.00117645369675
                   +1 :              -0.00050272060063
                   +2 :               0.00091006811393
              3 vec=    -3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00003977991769
                2s
                   +0 :               0.03704951688684
                3s
                   +0 :               0.00493943286329
                2p
                   -1 :               0.02008335349098
                   +0 :               0.00531084253354
                   +1 :              -0.01718744111303
                3p
                   -1 :               0.00620044890049
                   +0 :              -0.00596758305369
                   +1 :              -0.00732180266876
                3d
                   -2 :              -0.00325646408684
                   -1 :              -0.00083180031790
                   +0 :              -0.00176099874870
                   +1 :               0.00036381921214
                   +2 :              -0.00095786142135
              4 vec=     4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00047024390292
                2s
                   +0 :              -0.00550260369268
                3s
                   +0 :               0.00041979662903
                2p
                   -1 :               0.00681798512760
                   +0 :              -0.00054257962585
                   +1 :              -0.00270026130819
                3p
                   -1 :              -0.00078820404557
                   +0 :               0.00017754532043
                   +1 :               0.00033922460018
                3d
                   -2 :               0.00027851626061
                   -1 :               0.00007819181415
                   +0 :               0.00011075758702
                   +1 :              -0.00004340078559
                   +2 :               0.00018955396884
              5 vec=     4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00099635344364
                2s
                   +0 :               0.00846225080363
                3s
                   +0 :              -0.00212960283602
                2p
                   -1 :               0.00557241038666
                   +0 :              -0.00004449570954
                   +1 :               0.00652710309799
                3p
                   -1 :              -0.00000432283713
                   +0 :              -0.00006181299911
                   +1 :              -0.00247539849266
                3d
                   -2 :               0.00027140532934
                   -1 :              -0.00019461160534
                   +0 :              -0.00041177301493
                   +1 :               0.00000188468318
                   +2 :              -0.00035789461317
              6 vec=   -10.792123     -0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00020677916743
                2s
                   +0 :              -0.00103592676573
                3s
                   +0 :               0.00071834357954
                2p
                   -1 :              -0.00107222179729
                   +0 :              -0.00045961702530
                   +1 :               0.00066573182872
                3p
                   -1 :               0.00044656494502
                   +0 :               0.00044093094547
                   +1 :              -0.00064414011896
                3d
                   -2 :               0.00002829382422
                   -1 :              -0.00006857191810
                   +0 :              -0.00004159454137
                   +1 :              -0.00002884397233
                   +2 :               0.00008943788391
              7 vec=    12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00004485936614
                2s
                   +0 :              -0.00076336137094
                3s
                   +0 :               0.00004018166015
                2p
                   -1 :               0.00015348840828
                   +0 :              -0.00004638343038
                   +1 :              -0.00026531575230
                3p
                   -1 :              -0.00012594830364
                   +0 :               0.00000587217328
                   +1 :              -0.00023254284713
                3d
                   -2 :               0.00000903365430
                   -1 :               0.00000653644779
                   +0 :               0.00001502524021
                   +1 :               0.00000036418834
                   +2 :              -0.00005141669571
              8 vec=    12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00005736317994
                2s
                   +0 :              -0.00018658500024
                3s
                   +0 :               0.00016835390968
                2p
                   -1 :              -0.00006184096750
                   +0 :              -0.00008482821069
                   +1 :               0.00018093558187
                3p
                   -1 :               0.00004518174433
                   +0 :               0.00009900989576
                   +1 :              -0.00005819081429
                3d
                   -2 :               0.00000482487258
                   -1 :               0.00000780513881
                   +0 :               0.00001191784480
                   +1 :               0.00000207581447
                   +2 :              -0.00000053397751
              9 vec=    -3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00003041325111
                2s
                   +0 :              -0.00062678328017
                3s
                   +0 :              -0.00001722648244
                2p
                   -1 :               0.00051522170784
                   +0 :              -0.00010832470522
                   +1 :               0.00033481157119
                3p
                   -1 :               0.00001028512100
                   +0 :               0.00009835465158
                   +1 :              -0.00029123002714
                3d
                   -2 :               0.00004439447335
                   -1 :               0.00000872653364
                   +0 :               0.00002670604065
                   +1 :              -0.00000567629599
                   +2 :               0.00001789642243
             10 vec=    -3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00006360081239
                2s
                   +0 :               0.00093095689153
                3s
                   +0 :              -0.00016742781934
                2p
                   -1 :               0.00064549604832
                   +0 :               0.00005454576611
                   +1 :               0.00046684347094
                3p
                   -1 :              -0.00015717916655
                   +0 :              -0.00005007358317
                   +1 :              -0.00029700638743
                3d
                   -2 :              -0.00001590983123
                   -1 :              -0.00001633157552
                   +0 :              -0.00002012192977
                   +1 :              -0.00002021943584
                   +2 :              -0.00000136144831
             11 vec=   -10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00006008126801
                2s
                   +0 :              -0.00066231932907
                3s
                   +0 :               0.00011555454584
                2p
                   -1 :              -0.00015368646737
                   +0 :               0.00021284585622
                   +1 :               0.00055741216736
                3p
                   -1 :               0.00000832177627
                   +0 :              -0.00018522206775
                   +1 :              -0.00020558355928
                3d
                   -2 :               0.00002244713694
                   -1 :               0.00001144368635
                   +0 :              -0.00000590957772
                   +1 :              -0.00000403402032
                   +2 :               0.00000142916845
             12 vec=   -10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00002339640892
                2s
                   +0 :              -0.00000753483033
                3s
                   +0 :               0.00004946877961
                2p
                   -1 :              -0.00007944444872
                   +0 :              -0.00014737759450
                   +1 :               0.00015049140204
                3p
                   -1 :              -0.00004449582676
                   +0 :               0.00013696900397
                   +1 :              -0.00012888926656
                3d
                   -2 :               0.00002495523376
                   -1 :               0.00000451959918
                   +0 :              -0.00000504202147
                   +1 :              -0.00000781698461
                   +2 :               0.00000165839584
WF             site_B          number of pairs
WF( 51)=[O_16_2py]  to site O ( 30)  npairs=  12
              1 vec=     2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00481053513335
                2s
                   +0 :              -0.10025740250764
                3s
                   +0 :               0.01119468819707
                2p
                   -1 :               0.05074910362183
                   +0 :               0.00318937157022
                   +1 :              -0.02856042633797
                3p
                   -1 :              -0.00780452669450
                   +0 :              -0.00342308588290
                   +1 :               0.00099331625513
                3d
                   -2 :               0.00352871777958
                   -1 :               0.00049811245722
                   +0 :               0.00241960268063
                   +1 :               0.00069833486530
                   +2 :               0.00011759009663
              2 vec=    -5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00137358308122
                2s
                   +0 :               0.00783379508178
                3s
                   +0 :              -0.00503814674740
                2p
                   -1 :              -0.00471191017995
                   +0 :               0.00453983116052
                   +1 :              -0.00728251243049
                3p
                   -1 :              -0.00058911007169
                   +0 :              -0.00433392537734
                   +1 :               0.00667293434262
                3d
                   -2 :               0.00088135063721
                   -1 :               0.00014149105388
                   +0 :               0.00019574810315
                   +1 :               0.00007393088529
                   +2 :              -0.00051228049860
              3 vec=     2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00103369471680
                2s
                   +0 :               0.04702238473332
                3s
                   +0 :               0.00228883858333
                2p
                   -1 :               0.03069740391132
                   +0 :               0.00313384116449
                   +1 :               0.01814459002556
                3p
                   -1 :               0.00279597636266
                   +0 :              -0.00380654723845
                   +1 :               0.00375053867553
                3d
                   -2 :               0.00284377971180
                   -1 :               0.00009749516528
                   +0 :              -0.00170005304684
                   +1 :              -0.00124870258004
                   +2 :              -0.00143903564412
              4 vec=    -5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00073035713477
                2s
                   +0 :              -0.00664613151539
                3s
                   +0 :               0.00150567553592
                2p
                   -1 :               0.00670436970464
                   +0 :              -0.00042008523358
                   +1 :               0.00193997346733
                3p
                   -1 :              -0.00191724886914
                   +0 :               0.00017156499648
                   +1 :               0.00056200467909
                3d
                   -2 :              -0.00027594951984
                   -1 :               0.00005379206774
                   +0 :               0.00016498574578
                   +1 :               0.00014570766074
                   +2 :               0.00000622691203
              5 vec=    10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00001624759794
                2s
                   +0 :               0.00013874871517
                3s
                   +0 :              -0.00005604809884
                2p
                   -1 :              -0.00003706345602
                   +0 :              -0.00025361850216
                   +1 :               0.00020468311372
                3p
                   -1 :              -0.00029044761858
                   +0 :               0.00025374889892
                   +1 :              -0.00055759301662
                3d
                   -2 :              -0.00000255679100
                   -1 :               0.00003202523432
                   +0 :               0.00011379387334
                   +1 :               0.00003126722711
                   +2 :              -0.00009464150508
              6 vec=    -5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00097952121907
                2s
                   +0 :               0.00776939828428
                3s
                   +0 :              -0.00256545141769
                2p
                   -1 :               0.00589859442558
                   +0 :              -0.00165733111432
                   +1 :              -0.00398131910249
                3p
                   -1 :              -0.00208465083547
                   +0 :               0.00159064323959
                   +1 :               0.00161153670797
                3d
                   -2 :               0.00000227506253
                   -1 :               0.00007848983107
                   +0 :              -0.00003260103609
                   +1 :              -0.00005206751944
                   +2 :              -0.00003534028045
              7 vec=     2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00003414837211
                2s
                   +0 :              -0.00077022149459
                3s
                   +0 :              -0.00008234254347
                2p
                   -1 :               0.00001816064442
                   +0 :               0.00008553577826
                   +1 :               0.00041203978177
                3p
                   -1 :               0.00030571022204
                   +0 :              -0.00006424294200
                   +1 :              -0.00006267237388
                3d
                   -2 :              -0.00003001967978
                   -1 :               0.00000841896868
                   +0 :               0.00001241056507
                   +1 :               0.00000371211614
                   +2 :              -0.00000801750769
              8 vec=    10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00000403914669
                2s
                   +0 :              -0.00023919913707
                3s
                   +0 :              -0.00003746316041
                2p
                   -1 :              -0.00039033545055
                   +0 :              -0.00009016065646
                   +1 :              -0.00003052779911
                3p
                   -1 :               0.00014464123578
                   +0 :               0.00008840424634
                   +1 :              -0.00005383073410
                3d
                   -2 :              -0.00002928754512
                   -1 :               0.00000727098984
                   +0 :               0.00002058822474
                   +1 :              -0.00000220848318
                   +2 :               0.00001789865444
              9 vec=   -13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00002796785070
                2s
                   +0 :              -0.00039158512324
                3s
                   +0 :               0.00005767659189
                2p
                   -1 :               0.00013843606827
                   +0 :              -0.00006961451742
                   +1 :               0.00020331318382
                3p
                   -1 :              -0.00020837422470
                   +0 :               0.00002679381787
                   +1 :               0.00010197260931
                3d
                   -2 :               0.00001976035005
                   -1 :               0.00000093848210
                   +0 :               0.00002048841549
                   +1 :               0.00001007579478
                   +2 :              -0.00004766859632
             10 vec=    10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00003560581464
                2s
                   +0 :              -0.00004649086867
                3s
                   +0 :               0.00015647450922
                2p
                   -1 :              -0.00029939792225
                   +0 :              -0.00016171794171
                   +1 :               0.00009972120346
                3p
                   -1 :               0.00004945939006
                   +0 :               0.00014186298140
                   +1 :               0.00019043077114
                3d
                   -2 :              -0.00002138321608
                   -1 :               0.00000074066502
                   +0 :              -0.00003402610590
                   +1 :              -0.00000157374763
                   +2 :               0.00005645706568
             11 vec=   -13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00006253885508
                2s
                   +0 :               0.00068096394104
                3s
                   +0 :              -0.00015050301104
                2p
                   -1 :               0.00009485339696
                   +0 :              -0.00002425511377
                   +1 :              -0.00044113339176
                3p
                   -1 :              -0.00003383802729
                   +0 :               0.00004842200792
                   +1 :               0.00000900290428
                3d
                   -2 :               0.00000208398192
                   -1 :              -0.00000161520890
                   +0 :              -0.00000434036315
                   +1 :              -0.00001121717543
                   +2 :               0.00002197171520
             12 vec=     2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00010941389672
                2s
                   +0 :               0.00110462068257
                3s
                   +0 :              -0.00025173798893
                2p
                   -1 :               0.00075349306655
                   +0 :               0.00015968571068
                   +1 :              -0.00051943720014
                3p
                   -1 :              -0.00035779498404
                   +0 :              -0.00012443645308
                   +1 :               0.00022843407511
                3d
                   -2 :              -0.00001024003256
                   -1 :              -0.00000445546175
                   +0 :               0.00002549684793
                   +1 :              -0.00000043999309
                   +2 :               0.00003261364999
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al(  1)  npairs=  14
              1 vec=    -0.209286      3.115418     -1.580534   |vec|=    3.499674
                2s
                   +0 :              -0.02279282932728
                2p
                   -1 :              -0.02230491756970
                   +0 :               0.00424155061648
                   +1 :               0.00045076223427
                3s
                   +0 :              -0.03158360272145
                4s
                   +0 :              -0.00964310220249
                3p
                   -1 :              -0.05704220246138
                   +0 :              -0.01501928115069
                   +1 :               0.00692813882672
                4p
                   -1 :              -0.00965360435350
                   +0 :               0.00313839889713
                   +1 :              -0.00171079880561
                3d
                   -2 :               0.00369280007838
                   -1 :               0.00151492666679
                   +0 :               0.03019818976590
                   +1 :               0.00082731917091
                   +2 :               0.03735381393040
              2 vec=    -0.209286     -5.868340     -1.580534   |vec|=    6.081062
                2s
                   +0 :               0.00166074945652
                2p
                   -1 :              -0.00134639704575
                   +0 :               0.00030635612608
                   +1 :              -0.00004490224324
                3s
                   +0 :              -0.00395871534087
                4s
                   +0 :               0.00345468709900
                3p
                   -1 :               0.00504337591016
                   +0 :               0.00130608084492
                   +1 :              -0.00260237057227
                4p
                   -1 :              -0.00191705042921
                   +0 :               0.00040796262463
                   +1 :               0.00051100104116
                3d
                   -2 :               0.00085199484980
                   -1 :              -0.00147396495830
                   +0 :              -0.00015331025113
                   +1 :              -0.00004722467001
                   +2 :               0.00226593043073
              3 vec=     7.570876     -1.376461     -1.580534   |vec|=    7.855629
                2s
                   +0 :              -0.00017344746521
                2p
                   -1 :               0.00074800778741
                   +0 :              -0.00022075681872
                   +1 :               0.00012323494031
                3s
                   +0 :               0.00567886376849
                4s
                   +0 :              -0.00088632428500
                3p
                   -1 :              -0.00628108623693
                   +0 :               0.00138434531189
                   +1 :               0.00503903824321
                4p
                   -1 :               0.00112917068105
                   +0 :              -0.00104029347157
                   +1 :              -0.00026636951084
                3d
                   -2 :              -0.00216467211381
                   -1 :               0.00061680769680
                   +0 :              -0.00112225267537
                   +1 :              -0.00051133808738
                   +2 :               0.00024573624857
              4 vec=    -7.989449     -1.376461     -1.580534   |vec|=    8.259784
                2s
                   +0 :               0.00055635276062
                2p
                   -1 :               0.00034774192413
                   +0 :               0.00022697740332
                   +1 :              -0.00088306613406
                3s
                   +0 :              -0.00230277808961
                4s
                   +0 :               0.00079872137181
                3p
                   -1 :              -0.00217811767727
                   +0 :              -0.00100504320792
                   +1 :               0.00368151983009
                4p
                   -1 :               0.00072942751166
                   +0 :               0.00020488885666
                   +1 :              -0.00115921194988
                3d
                   -2 :               0.00045941626904
                   -1 :               0.00080431486772
                   +0 :              -0.00000874519985
                   +1 :              -0.00019258239928
                   +2 :              -0.00074003568724
              5 vec=     7.570876      7.607297     -1.580534   |vec|=   10.848374
                2s
                   +0 :              -0.00013545092216
                2p
                   -1 :              -0.00003179294851
                   +0 :               0.00009222408548
                   +1 :               0.00002608684271
                3s
                   +0 :              -0.00048670634171
                4s
                   +0 :               0.00003364312412
                3p
                   -1 :              -0.00023074425546
                   +0 :              -0.00123633008813
                   +1 :              -0.00110611162380
                4p
                   -1 :               0.00011450714252
                   +0 :               0.00014201760164
                   +1 :               0.00030216960470
                3d
                   -2 :              -0.00008733881716
                   -1 :              -0.00027994234009
                   +0 :              -0.00015340993981
                   +1 :              -0.00017669363507
                   +2 :              -0.00014816296247
              6 vec=    -7.989449      7.607297     -1.580534   |vec|=   11.144521
                2s
                   +0 :              -0.00000697497862
                2p
                   -1 :              -0.00003481369092
                   +0 :              -0.00002193452678
                   +1 :              -0.00005718961409
                3s
                   +0 :              -0.00112247511881
                4s
                   +0 :               0.00033614905567
                3p
                   -1 :              -0.00028117889094
                   +0 :              -0.00047927046382
                   +1 :               0.00093282483396
                4p
                   -1 :               0.00014370639460
                   +0 :               0.00005655282876
                   +1 :              -0.00024394578603
                3d
                   -2 :              -0.00001132766099
                   -1 :               0.00000340657787
                   +0 :              -0.00016664997424
                   +1 :               0.00026332395194
                   +2 :              -0.00027965601812
              7 vec=    -0.209286     12.099176     -1.580534   |vec|=   12.203767
                2s
                   +0 :               0.00018967438761
                2p
                   -1 :               0.00007920145719
                   +0 :              -0.00023370649383
                   +1 :              -0.00010602216550
                3s
                   +0 :              -0.00037843379392
                4s
                   +0 :              -0.00010240303397
                3p
                   -1 :              -0.00025824618785
                   +0 :               0.00112391927831
                   +1 :               0.00052545582631
                4p
                   -1 :              -0.00008247040846
                   +0 :              -0.00028939037054
                   +1 :              -0.00006757419767
                3d
                   -2 :               0.00008884737398
                   -1 :               0.00013110787851
                   +0 :              -0.00004944893311
                   +1 :              -0.00007520565218
                   +2 :               0.00003708525486
              8 vec=     7.570876    -10.360219     -1.580534   |vec|=   12.928666
                2s
                   +0 :               0.00009253358128
                2p
                   -1 :              -0.00007941162249
                   +0 :               0.00020418809949
                   +1 :              -0.00018841675779
                3s
                   +0 :              -0.00061779088918
                4s
                   +0 :               0.00031631594848
                3p
                   -1 :               0.00053457681893
                   +0 :              -0.00085242078850
                   +1 :               0.00083876557956
                4p
                   -1 :              -0.00019384348974
                   +0 :               0.00021612139733
                   +1 :              -0.00016783696551
                3d
                   -2 :              -0.00027299385692
                   -1 :               0.00020886146391
                   +0 :              -0.00011381967332
                   +1 :              -0.00009039884477
                   +2 :               0.00009813585983
              9 vec=    -7.989449    -10.360219     -1.580534   |vec|=   13.178146
                2s
                   +0 :              -0.00021565695149
                2p
                   -1 :               0.00004171483179
                   +0 :              -0.00000728136640
                   +1 :               0.00014735280758
                3s
                   +0 :               0.00048080131879
                4s
                   +0 :              -0.00024263840655
                3p
                   -1 :              -0.00013031941050
                   +0 :               0.00038101043142
                   +1 :              -0.00061236497432
                4p
                   -1 :               0.00002594337526
                   +0 :              -0.00007085100176
                   +1 :               0.00018220496473
                3d
                   -2 :               0.00004717956646
                   -1 :               0.00004742529904
                   +0 :              -0.00011749266213
                   +1 :               0.00000036122377
                   +2 :               0.00005495967263
             10 vec=    -0.209286    -14.852098     -1.580534   |vec|=   14.937427
                2s
                   +0 :              -0.00007061690141
                2p
                   -1 :              -0.00000971693656
                   +0 :               0.00001490487611
                   +1 :               0.00000943599826
                3s
                   +0 :               0.00032154316062
                4s
                   +0 :              -0.00009149041681
                3p
                   -1 :              -0.00004855753971
                   +0 :               0.00007605783499
                   +1 :              -0.00007090957713
                4p
                   -1 :               0.00002581596478
                   +0 :              -0.00001738982996
                   +1 :               0.00003224239735
                3d
                   -2 :               0.00005530647312
                   -1 :              -0.00003234221317
                   +0 :              -0.00007485930689
                   +1 :               0.00000579054326
                   +2 :              -0.00001605485373
             11 vec=    15.351039      3.115418     -1.580534   |vec|=   15.743516
                2s
                   +0 :               0.00002005370059
                2p
                   -1 :              -0.00003448041282
                   +0 :              -0.00000008354878
                   +1 :               0.00000430061219
                3s
                   +0 :              -0.00009141845884
                4s
                   +0 :               0.00005006690120
                3p
                   -1 :               0.00019193352091
                   +0 :              -0.00010473544002
                   +1 :              -0.00003340257556
                4p
                   -1 :              -0.00007296039379
                   +0 :               0.00005913939267
                   +1 :               0.00002811022245
                3d
                   -2 :               0.00002735804289
                   -1 :              -0.00000163114208
                   +0 :              -0.00001344090827
                   +1 :              -0.00002334737200
                   +2 :               0.00005873611850
             12 vec=   -15.769612      3.115418     -1.580534   |vec|=   16.151921
                2s
                   +0 :               0.00003167780645
                2p
                   -1 :               0.00001137082437
                   +0 :               0.00002006902495
                   +1 :              -0.00000771995291
                3s
                   +0 :              -0.00019441858144
                4s
                   +0 :               0.00006510287228
                3p
                   -1 :              -0.00010492153076
                   +0 :              -0.00014789228430
                   +1 :               0.00006653554500
                4p
                   -1 :               0.00002030131939
                   +0 :               0.00002050302582
                   +1 :              -0.00002122143859
                3d
                   -2 :               0.00002018680625
                   -1 :              -0.00000656122910
                   +0 :              -0.00004652007193
                   +1 :               0.00003354305825
                   +2 :              -0.00000645151653
             13 vec=    15.351039     -5.868340     -1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00003099945425
                2p
                   -1 :               0.00001833164756
                   +0 :              -0.00000844953471
                   +1 :              -0.00001372816981
                3s
                   +0 :               0.00016751870803
                4s
                   +0 :              -0.00011965111350
                3p
                   -1 :              -0.00009843678930
                   +0 :               0.00002464435194
                   +1 :               0.00014938933805
                4p
                   -1 :               0.00001093042979
                   +0 :              -0.00000955205353
                   +1 :              -0.00007685202958
                3d
                   -2 :              -0.00002628069093
                   -1 :              -0.00002836648710
                   +0 :               0.00002892070604
                   +1 :              -0.00001098023623
                   +2 :               0.00001419817745
             14 vec=   -15.769612     -5.868340     -1.580534   |vec|=   16.900182
                2s
                   +0 :               0.00001180576570
                2p
                   -1 :               0.00000065232149
                   +0 :               0.00000882006138
                   +1 :               0.00002391847586
                3s
                   +0 :              -0.00014515873162
                4s
                   +0 :               0.00005257269538
                3p
                   -1 :               0.00002652368452
                   +0 :              -0.00005275964706
                   +1 :              -0.00007330626362
                4p
                   -1 :              -0.00002385787302
                   +0 :               0.00000570097325
                   +1 :               0.00001013760559
                3d
                   -2 :               0.00002404060476
                   -1 :              -0.00002837047028
                   +0 :              -0.00001985768716
                   +1 :               0.00001736522495
                   +2 :               0.00002827462058
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al(  2)  npairs=  14
              1 vec=    -0.209286      3.115418      5.671791   |vec|=    6.474477
                2s
                   +0 :              -0.00465024836555
                2p
                   -1 :              -0.00225228832042
                   +0 :              -0.00287097393845
                   +1 :               0.00038550723271
                3s
                   +0 :               0.01180530839129
                4s
                   +0 :              -0.00754748255185
                3p
                   -1 :               0.00775709077964
                   +0 :               0.01213228714202
                   +1 :              -0.00061730227319
                4p
                   -1 :              -0.00391532794853
                   +0 :              -0.00559034273080
                   +1 :               0.00016384378476
                3d
                   -2 :               0.00054328413786
                   -1 :               0.00092853888739
                   +0 :               0.00208453604350
                   +1 :               0.00003190822438
                   +2 :               0.00138016823718
              2 vec=    -0.209286     -5.868340      5.671791   |vec|=    8.163972
                2s
                   +0 :               0.00135879667261
                2p
                   -1 :              -0.00125254462504
                   +0 :               0.00048643051227
                   +1 :              -0.00020065519085
                3s
                   +0 :               0.00976767691996
                4s
                   +0 :               0.00150704949308
                3p
                   -1 :              -0.00673741903921
                   +0 :               0.00035835547624
                   +1 :               0.00457363096070
                4p
                   -1 :              -0.00153823553928
                   +0 :               0.00039304494024
                   +1 :              -0.00109952069447
                3d
                   -2 :              -0.00150626674360
                   -1 :              -0.00054338363193
                   +0 :              -0.00211837429380
                   +1 :               0.00043689331901
                   +2 :              -0.00320990966073
              3 vec=     7.570876     -1.376461      5.671791   |vec|=    9.559395
                2s
                   +0 :               0.00043948173459
                2p
                   -1 :               0.00099569063081
                   +0 :               0.00011289581343
                   +1 :              -0.00040041751677
                3s
                   +0 :              -0.00067017177050
                4s
                   +0 :               0.00015176915729
                3p
                   -1 :              -0.00461338794140
                   +0 :              -0.00061545371017
                   +1 :               0.00160745253655
                4p
                   -1 :               0.00098339086335
                   +0 :               0.00025207582225
                   +1 :              -0.00037507190614
                3d
                   -2 :              -0.00032928263319
                   -1 :              -0.00070043000526
                   +0 :               0.00018470410211
                   +1 :               0.00062464023319
                   +2 :               0.00100654422416
              4 vec=    -7.989449     -1.376461      5.671791   |vec|=    9.894198
                2s
                   +0 :              -0.00004536644647
                2p
                   -1 :              -0.00001045527035
                   +0 :              -0.00036415577351
                   +1 :              -0.00032927947571
                3s
                   +0 :              -0.00001989239786
                4s
                   +0 :               0.00016908654755
                3p
                   -1 :              -0.00009746880553
                   +0 :               0.00229656008926
                   +1 :               0.00157866186588
                4p
                   -1 :              -0.00017106199449
                   +0 :              -0.00063158877321
                   +1 :              -0.00072601728249
                3d
                   -2 :               0.00044743522322
                   -1 :              -0.00007948107353
                   +0 :               0.00021801123268
                   +1 :              -0.00040625150160
                   +2 :              -0.00010097462939
              5 vec=     7.570876      7.607297      5.671791   |vec|=   12.139125
                2s
                   +0 :               0.00039248059899
                2p
                   -1 :               0.00004311113762
                   +0 :               0.00015622983060
                   +1 :               0.00026790828564
                3s
                   +0 :              -0.00068610698104
                4s
                   +0 :               0.00040025046909
                3p
                   -1 :              -0.00046089907440
                   +0 :               0.00001820711770
                   +1 :              -0.00094193645775
                4p
                   -1 :               0.00008507969961
                   +0 :               0.00011925120860
                   +1 :               0.00032783171094
                3d
                   -2 :              -0.00013418500522
                   -1 :              -0.00001864198905
                   +0 :               0.00025530008805
                   +1 :               0.00005123343459
                   +2 :               0.00003508424998
              6 vec=    -7.989449      7.607297      5.671791   |vec|=   12.404494
                2s
                   +0 :               0.00049473894077
                2p
                   -1 :               0.00014107795841
                   +0 :               0.00018786627138
                   +1 :              -0.00026417401863
                3s
                   +0 :              -0.00129811244541
                4s
                   +0 :               0.00026034964356
                3p
                   -1 :              -0.00074352058722
                   +0 :              -0.00068438455856
                   +1 :               0.00114117525077
                4p
                   -1 :               0.00000105736725
                   +0 :               0.00013580594768
                   +1 :              -0.00020860031512
                3d
                   -2 :               0.00038788102004
                   -1 :              -0.00029455109694
                   +0 :               0.00011046931209
                   +1 :               0.00033130006150
                   +2 :              -0.00009146448366
              7 vec=    -0.209286     12.099176      5.671791   |vec|=   13.364246
                2s
                   +0 :              -0.00018288751307
                2p
                   -1 :              -0.00011977104819
                   +0 :              -0.00002326179112
                   +1 :              -0.00008036790720
                3s
                   +0 :               0.00095907520355
                4s
                   +0 :              -0.00023685633396
                3p
                   -1 :               0.00075326836879
                   +0 :              -0.00002839518030
                   +1 :               0.00039486116885
                4p
                   -1 :              -0.00017536756473
                   +0 :               0.00006542013321
                   +1 :              -0.00008289099778
                3d
                   -2 :               0.00019106271171
                   -1 :               0.00003133471903
                   +0 :               0.00002941495638
                   +1 :               0.00004837137659
                   +2 :              -0.00006691803187
              8 vec=     7.570876    -10.360219      5.671791   |vec|=   14.029310
                2s
                   +0 :               0.00042416426793
                2p
                   -1 :              -0.00030189945804
                   +0 :               0.00005509175988
                   +1 :              -0.00003262177387
                3s
                   +0 :              -0.00108993094876
                4s
                   +0 :               0.00023456036987
                3p
                   -1 :               0.00115535192729
                   +0 :              -0.00027170873328
                   +1 :               0.00031591043387
                4p
                   -1 :              -0.00015331775848
                   +0 :               0.00006752476797
                   +1 :              -0.00013260466831
                3d
                   -2 :               0.00004287771255
                   -1 :               0.00017866131365
                   +0 :               0.00008894881550
                   +1 :              -0.00000011858607
                   +2 :               0.00024416590581
              9 vec=    -7.989449    -10.360219      5.671791   |vec|=   14.259546
                2s
                   +0 :               0.00001822411071
                2p
                   -1 :               0.00000770449623
                   +0 :               0.00001945193530
                   +1 :               0.00006540949097
                3s
                   +0 :              -0.00012809717917
                4s
                   +0 :               0.00010749721399
                3p
                   -1 :               0.00005583971876
                   +0 :              -0.00027537603441
                   +1 :              -0.00032735951605
                4p
                   -1 :              -0.00003664198504
                   +0 :               0.00008736345418
                   +1 :               0.00001958343241
                3d
                   -2 :               0.00013236385300
                   -1 :               0.00001502539239
                   +0 :               0.00000709870600
                   +1 :              -0.00004828301997
                   +2 :              -0.00001454513179
             10 vec=    -0.209286    -14.852098      5.671791   |vec|=   15.899618
                2s
                   +0 :               0.00007935800861
                2p
                   -1 :              -0.00001395824359
                   +0 :              -0.00000523070979
                   +1 :              -0.00000993295597
                3s
                   +0 :              -0.00023296485153
                4s
                   +0 :               0.00005276156524
                3p
                   -1 :               0.00005811545462
                   +0 :               0.00002676303836
                   +1 :              -0.00002689366501
                4p
                   -1 :               0.00000036529503
                   +0 :              -0.00002215199934
                   +1 :               0.00001270128139
                3d
                   -2 :               0.00001495311691
                   -1 :               0.00002332285877
                   +0 :              -0.00001790814328
                   +1 :              -0.00001613382349
                   +2 :               0.00001480154590
             11 vec=    15.351039      3.115418      5.671791   |vec|=   16.659215
                2s
                   +0 :              -0.00004485706975
                2p
                   -1 :              -0.00001941170873
                   +0 :               0.00000022942490
                   +1 :               0.00001614326099
                3s
                   +0 :               0.00023937416108
                4s
                   +0 :              -0.00003448966768
                3p
                   -1 :               0.00019601848886
                   +0 :               0.00008466312382
                   +1 :              -0.00005156296822
                4p
                   -1 :              -0.00004254736965
                   +0 :              -0.00001289932063
                   +1 :               0.00003045860943
                3d
                   -2 :               0.00001652523681
                   -1 :               0.00006759998546
                   +0 :               0.00000986684350
                   +1 :               0.00000242853119
                   +2 :              -0.00004492311405
             12 vec=   -15.769612      3.115418      5.671791   |vec|=   17.045694
                2s
                   +0 :               0.00002915042714
                2p
                   -1 :               0.00002014964195
                   +0 :               0.00000787093897
                   +1 :              -0.00004188660510
                3s
                   +0 :               0.00000737824774
                4s
                   +0 :               0.00005448811550
                3p
                   -1 :              -0.00001249913160
                   +0 :               0.00006253637490
                   +1 :               0.00016321202787
                4p
                   -1 :               0.00001337165611
                   +0 :              -0.00000556722641
                   +1 :              -0.00006240221586
                3d
                   -2 :               0.00000851906899
                   -1 :               0.00000669995353
                   +0 :               0.00002852585816
                   +1 :               0.00000835716574
                   +2 :              -0.00004991500499
             13 vec=    15.351039     -5.868340      5.671791   |vec|=   17.385656
                2s
                   +0 :               0.00000091128990
                2p
                   -1 :               0.00002884413887
                   +0 :               0.00000235665130
                   +1 :              -0.00001740544130
                3s
                   +0 :               0.00008447383149
                4s
                   +0 :              -0.00006504118070
                3p
                   -1 :              -0.00018463334565
                   +0 :               0.00004517908868
                   +1 :               0.00014512650263
                4p
                   -1 :               0.00005413644096
                   +0 :              -0.00003007049120
                   +1 :              -0.00006908537637
                3d
                   -2 :              -0.00005604869674
                   -1 :              -0.00001499495762
                   +0 :               0.00002893869194
                   +1 :               0.00001695383516
                   +2 :              -0.00000863899327
             14 vec=   -15.769612     -5.868340      5.671791   |vec|=   17.756331
                2s
                   +0 :               0.00001181438789
                2p
                   -1 :              -0.00002134954513
                   +0 :              -0.00000086332281
                   +1 :              -0.00001505391271
                3s
                   +0 :              -0.00004945553991
                4s
                   +0 :               0.00003516344514
                3p
                   -1 :               0.00011531997353
                   +0 :              -0.00001781573935
                   +1 :               0.00007668987396
                4p
                   -1 :              -0.00004239317217
                   +0 :               0.00001320115963
                   +1 :              -0.00002436124499
                3d
                   -2 :              -0.00001379974712
                   -1 :               0.00000550910492
                   +0 :               0.00000311416916
                   +1 :               0.00001797230243
                   +2 :              -0.00000807096657
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Cr(  3)  npairs=  13
              1 vec=    -0.209286      3.115418     -6.601980   |vec|=    7.303134
                3s
                   +0 :              -0.00120998659167
                3p
                   -1 :              -0.00212875974508
                   +0 :               0.00285667634615
                   +1 :               0.00031356180490
                4s
                   +0 :               0.00120699361960
                5s
                   +0 :              -0.00068071513559
                3d
                   -2 :              -0.00027598809206
                   -1 :               0.00246813296951
                   +0 :              -0.00448060984872
                   +1 :               0.00166734463258
                   +2 :               0.00344918795386
                4d
                   -2 :              -0.00066160961074
                   -1 :               0.00002150520344
                   +0 :               0.00010002630186
                   +1 :              -0.00017608021979
                   +2 :               0.00127526006630
                4p
                   -1 :               0.00000529018520
                   +0 :               0.00254513203688
                   +1 :              -0.00033104446031
              2 vec=    -0.209286     -5.868340     -6.601980   |vec|=    8.835573
                3s
                   +0 :              -0.00074581824579
                3p
                   -1 :              -0.00086841997543
                   +0 :              -0.00055799449596
                   +1 :              -0.00015951814649
                4s
                   +0 :               0.00920528352247
                5s
                   +0 :               0.00005624875289
                3d
                   -2 :              -0.00019119992928
                   -1 :               0.00511387099205
                   +0 :               0.00068474161357
                   +1 :              -0.00062663324153
                   +2 :              -0.00327379854767
                4d
                   -2 :              -0.00020814107924
                   -1 :               0.00188220517138
                   +0 :               0.00014663403149
                   +1 :              -0.00025607543092
                   +2 :              -0.00133844135333
                4p
                   -1 :              -0.00337744201096
                   +0 :              -0.00358920501953
                   +1 :               0.00070599578650
              3 vec=     7.570876     -1.376461     -6.601980   |vec|=   10.138982
                3s
                   +0 :               0.00114148193096
                3p
                   -1 :               0.00095363299499
                   +0 :              -0.00066367518345
                   +1 :               0.00025478854246
                4s
                   +0 :              -0.00022419758632
                5s
                   +0 :              -0.00056770523079
                3d
                   -2 :               0.00085412997667
                   -1 :              -0.00117592551639
                   +0 :               0.00083258536338
                   +1 :               0.00015200452208
                   +2 :              -0.00063344632593
                4d
                   -2 :              -0.00064007076708
                   -1 :               0.00034842192391
                   +0 :               0.00006787852443
                   +1 :              -0.00032910066279
                   +2 :               0.00122801289450
                4p
                   -1 :              -0.00179821415864
                   +0 :               0.00096467719997
                   +1 :               0.00021609527150
              4 vec=    -7.989449     -1.376461     -6.601980   |vec|=   10.455242
                3s
                   +0 :              -0.00044783437955
                3p
                   -1 :               0.00008228029142
                   +0 :               0.00013375443974
                   +1 :              -0.00012180967154
                4s
                   +0 :               0.00166739277747
                5s
                   +0 :              -0.00028638592258
                3d
                   -2 :              -0.00016213463923
                   -1 :              -0.00047114838398
                   +0 :               0.00024612907332
                   +1 :              -0.00024464495451
                   +2 :               0.00003443302750
                4d
                   -2 :               0.00000097610304
                   -1 :               0.00017067257977
                   +0 :               0.00010058660835
                   +1 :               0.00027372139994
                   +2 :               0.00031569336152
                4p
                   -1 :              -0.00016020617330
                   +0 :              -0.00020979014503
                   +1 :              -0.00036208949787
              5 vec=     7.570876      7.607297     -6.601980   |vec|=   12.600606
                3s
                   +0 :              -0.00043510583295
                3p
                   -1 :              -0.00018989629866
                   +0 :               0.00013820229957
                   +1 :              -0.00017731482139
                4s
                   +0 :               0.00064397710140
                5s
                   +0 :               0.00002747014830
                3d
                   -2 :              -0.00031558548515
                   -1 :               0.00021279485011
                   +0 :               0.00036751935459
                   +1 :              -0.00013013194383
                   +2 :               0.00002757388540
                4d
                   -2 :              -0.00007099878350
                   -1 :              -0.00001409599078
                   +0 :               0.00013979152069
                   +1 :              -0.00013233014767
                   +2 :               0.00008503400189
                4p
                   -1 :               0.00014654169471
                   +0 :              -0.00043579296559
                   +1 :               0.00029673424758
              6 vec=    -7.989449      7.607297     -6.601980   |vec|=   12.856453
                3s
                   +0 :               0.00044911317172
                3p
                   -1 :               0.00018059545387
                   +0 :              -0.00021518109724
                   +1 :              -0.00007033634015
                4s
                   +0 :              -0.00092749848966
                5s
                   +0 :               0.00008294580537
                3d
                   -2 :               0.00013018363030
                   -1 :              -0.00000200940273
                   +0 :               0.00028405729166
                   +1 :               0.00029958495593
                   +2 :               0.00006747095382
                4d
                   -2 :               0.00013116717699
                   -1 :               0.00018527374363
                   +0 :              -0.00003921204295
                   +1 :              -0.00029469489934
                   +2 :               0.00003776720445
                4p
                   -1 :              -0.00040843920174
                   +0 :               0.00036833099097
                   +1 :               0.00014608080800
              7 vec=    -0.209286     12.099176     -6.601980   |vec|=   13.784774
                3s
                   +0 :               0.00017470359221
                3p
                   -1 :               0.00001468809892
                   +0 :              -0.00008764267451
                   +1 :              -0.00006073859677
                4s
                   +0 :              -0.00019908206793
                5s
                   +0 :               0.00002248980280
                3d
                   -2 :               0.00017721678035
                   -1 :               0.00031080351855
                   +0 :               0.00005082389345
                   +1 :              -0.00003453231125
                   +2 :              -0.00012523005525
                4d
                   -2 :              -0.00004922302200
                   -1 :               0.00010198737327
                   +0 :               0.00006787154033
                   +1 :               0.00001882530301
                   +2 :              -0.00010961916822
                4p
                   -1 :               0.00007417304131
                   +0 :               0.00022024540760
                   +1 :               0.00010772466784
              8 vec=     7.570876    -10.360219     -6.601980   |vec|=   14.430470
                3s
                   +0 :               0.00014907034120
                3p
                   -1 :              -0.00006237142266
                   +0 :               0.00005928881437
                   +1 :               0.00003641607541
                4s
                   +0 :              -0.00027187993320
                5s
                   +0 :               0.00004647932056
                3d
                   -2 :               0.00001929876569
                   -1 :               0.00000179501810
                   +0 :               0.00002567954989
                   +1 :               0.00006945746375
                   +2 :               0.00005761812976
                4d
                   -2 :              -0.00005390703022
                   -1 :               0.00001400310550
                   +0 :              -0.00003843939681
                   +1 :              -0.00000560636551
                   +2 :               0.00003199658044
                4p
                   -1 :               0.00009487771093
                   +0 :              -0.00008270502075
                   +1 :               0.00000789531923
              9 vec=    -7.989449    -10.360219     -6.601980   |vec|=   14.654405
                3s
                   +0 :               0.00010292365836
                3p
                   -1 :               0.00001249596248
                   +0 :              -0.00003188655307
                   +1 :              -0.00005547058906
                4s
                   +0 :              -0.00012830483451
                5s
                   +0 :              -0.00002173806563
                3d
                   -2 :              -0.00007914023502
                   -1 :              -0.00003138856535
                   +0 :               0.00001656719114
                   +1 :              -0.00002394063024
                   +2 :               0.00011535774231
                4d
                   -2 :              -0.00000125004385
                   -1 :              -0.00001816775251
                   +0 :               0.00001851192911
                   +1 :               0.00000077429707
                   +2 :               0.00000024809689
                4p
                   -1 :               0.00001811730548
                   +0 :               0.00003869275997
                   +1 :               0.00009590763443
             10 vec=    -0.209286    -14.852098     -6.601980   |vec|=   16.254684
                3s
                   +0 :              -0.00005513703512
                3p
                   -1 :               0.00003842521599
                   +0 :               0.00004273565080
                   +1 :              -0.00005202095378
                4s
                   +0 :              -0.00005201037966
                5s
                   +0 :               0.00003426318310
                3d
                   -2 :               0.00003896561997
                   -1 :               0.00000475595795
                   +0 :               0.00004471324811
                   +1 :               0.00000283578727
                   +2 :               0.00000437538654
                4d
                   -2 :              -0.00004627985792
                   -1 :               0.00007047856941
                   +0 :               0.00002920510026
                   +1 :               0.00000430854068
                   +2 :               0.00003490558339
                4p
                   -1 :               0.00001748441308
                   +0 :              -0.00016904707103
                   +1 :               0.00003439531053
             11 vec=    15.351039      3.115418     -6.601980   |vec|=   16.998422
                3s
                   +0 :              -0.00004487445526
                3p
                   -1 :              -0.00002779236594
                   +0 :               0.00001120859145
                   +1 :              -0.00001139425815
                4s
                   +0 :               0.00006238197569
                5s
                   +0 :               0.00002008825141
                3d
                   -2 :              -0.00004635321835
                   -1 :              -0.00008076634968
                   +0 :               0.00006429122787
                   +1 :              -0.00002126409941
                   +2 :               0.00002710860916
                4d
                   -2 :               0.00001532156665
                   -1 :              -0.00000638323417
                   +0 :              -0.00001373071977
                   +1 :               0.00002280644272
                   +2 :              -0.00001027321707
                4p
                   -1 :               0.00002661554778
                   +0 :              -0.00000262964546
                   +1 :               0.00002560612789
             12 vec=   -15.769612      3.115418     -6.601980   |vec|=   17.377359
                3s
                   +0 :              -0.00002474867645
                3p
                   -1 :              -0.00002089749767
                   +0 :               0.00004618416569
                   +1 :              -0.00001682195369
                4s
                   +0 :               0.00007792735903
                5s
                   +0 :               0.00001122679362
                3d
                   -2 :               0.00005440619303
                   -1 :              -0.00010441973240
                   +0 :               0.00004687126612
                   +1 :              -0.00006775183652
                   +2 :               0.00004877736366
                4d
                   -2 :              -0.00002395608545
                   -1 :               0.00000279786104
                   +0 :               0.00001591686763
                   +1 :               0.00005478896998
                   +2 :              -0.00004302305423
                4p
                   -1 :               0.00003801480340
                   +0 :              -0.00009748354960
                   +1 :               0.00001780391553
             13 vec=    15.351039     -5.868340     -6.601980   |vec|=   17.710956
                3s
                   +0 :               0.00004193470868
                3p
                   -1 :               0.00001740038017
                   +0 :              -0.00004464882011
                   +1 :               0.00005179714081
                4s
                   +0 :               0.00000308562541
                5s
                   +0 :              -0.00002609173828
                3d
                   -2 :              -0.00003651148207
                   -1 :              -0.00003372316574
                   +0 :              -0.00001112933084
                   +1 :               0.00002351961901
                   +2 :               0.00000537487157
                4d
                   -2 :              -0.00002530375090
                   -1 :              -0.00002594996478
                   +0 :               0.00003392468097
                   +1 :               0.00002570516772
                   +2 :              -0.00003206703688
                4p
                   -1 :              -0.00006691841633
                   +0 :               0.00009022386937
                   +1 :              -0.00007584789860
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al(  4)  npairs=  15
              1 vec=    -0.209286      3.115418     10.693237   |vec|=   11.139791
                2s
                   +0 :               0.00083016672998
                2p
                   -1 :               0.00042486957948
                   +0 :               0.00043726635392
                   +1 :              -0.00009003628550
                3s
                   +0 :              -0.00089724825695
                4s
                   +0 :               0.00031907129349
                3p
                   -1 :              -0.00285403238164
                   +0 :              -0.00074460807740
                   +1 :              -0.00022522278399
                4p
                   -1 :               0.00054088776635
                   +0 :               0.00018054359429
                   +1 :               0.00014338843771
                3d
                   -2 :              -0.00002686651109
                   -1 :              -0.00035692313217
                   +0 :               0.00015780973811
                   +1 :              -0.00002993763474
                   +2 :               0.00016818906458
              2 vec=    -0.209286     -5.868340     10.693237   |vec|=   12.199448
                2s
                   +0 :               0.00005525040175
                2p
                   -1 :              -0.00005151264968
                   +0 :               0.00008503130912
                   +1 :              -0.00008341174391
                3s
                   +0 :               0.00054200828217
                4s
                   +0 :              -0.00013350419238
                3p
                   -1 :              -0.00006034627607
                   +0 :              -0.00038541457399
                   +1 :               0.00085827196371
                4p
                   -1 :              -0.00004027878520
                   +0 :              -0.00000712642903
                   +1 :              -0.00001044078786
                3d
                   -2 :              -0.00026226180650
                   -1 :               0.00023708781900
                   +0 :              -0.00041241813188
                   +1 :               0.00024560432780
                   +2 :               0.00046428895654
              3 vec=     7.570876     -1.376461     10.693237   |vec|=   13.174146
                2s
                   +0 :              -0.00028697086891
                2p
                   -1 :              -0.00014675029888
                   +0 :              -0.00002518200510
                   +1 :               0.00004316536056
                3s
                   +0 :               0.00243130068610
                4s
                   +0 :              -0.00033331968198
                3p
                   -1 :               0.00026284207319
                   +0 :               0.00120204663238
                   +1 :               0.00097552766431
                4p
                   -1 :              -0.00020721495711
                   +0 :              -0.00008944595663
                   +1 :              -0.00005739268626
                3d
                   -2 :              -0.00014647171448
                   -1 :              -0.00003012485828
                   +0 :               0.00018178141554
                   +1 :               0.00032300999170
                   +2 :               0.00012518927171
              4 vec=    -7.989449     -1.376461     10.693237   |vec|=   13.419063
                2s
                   +0 :              -0.00023415701939
                2p
                   -1 :               0.00001120510988
                   +0 :               0.00000663866760
                   +1 :               0.00001712197203
                3s
                   +0 :               0.00264150222590
                4s
                   +0 :              -0.00046640381361
                3p
                   -1 :              -0.00073048209156
                   +0 :               0.00113777868194
                   +1 :              -0.00142949905024
                4p
                   -1 :              -0.00002247416028
                   +0 :              -0.00009566956098
                   +1 :               0.00016242030356
                3d
                   -2 :               0.00033078184730
                   -1 :              -0.00031188933086
                   +0 :               0.00024551850821
                   +1 :              -0.00040245602349
                   +2 :               0.00023038222099
              5 vec=    -0.209286      3.115418    -13.854306   |vec|=   14.201810
                2s
                   +0 :               0.00002377801240
                2p
                   -1 :              -0.00006247364169
                   +0 :              -0.00007374723973
                   +1 :              -0.00005967390482
                3s
                   +0 :              -0.00030263019294
                4s
                   +0 :               0.00014850110219
                3p
                   -1 :               0.00019819977059
                   +0 :               0.00064405371847
                   +1 :               0.00022434759513
                4p
                   -1 :              -0.00001561562226
                   +0 :              -0.00023312208572
                   +1 :              -0.00003937254589
                3d
                   -2 :               0.00008594895378
                   -1 :              -0.00000455526651
                   +0 :              -0.00015832337318
                   +1 :              -0.00008828820159
                   +2 :              -0.00001095958357
              6 vec=    -0.209286     -5.868340    -13.854306   |vec|=   15.047359
                2s
                   +0 :               0.00007804679190
                2p
                   -1 :              -0.00009539749247
                   +0 :              -0.00002276518384
                   +1 :               0.00000355413677
                3s
                   +0 :              -0.00018918463542
                4s
                   +0 :               0.00002266451523
                3p
                   -1 :               0.00028621580118
                   +0 :               0.00002973956946
                   +1 :              -0.00000042661935
                4p
                   -1 :              -0.00001644022891
                   +0 :              -0.00002486619451
                   +1 :               0.00001661088219
                3d
                   -2 :               0.00000169978602
                   -1 :               0.00000932457279
                   +0 :               0.00004245389045
                   +1 :              -0.00001697139529
                   +2 :               0.00009857361759
              7 vec=     7.570876      7.607297     10.693237   |vec|=   15.150394
                2s
                   +0 :              -0.00002125661665
                2p
                   -1 :               0.00003601598929
                   +0 :               0.00002113523259
                   +1 :              -0.00001873786730
                3s
                   +0 :               0.00005534432292
                4s
                   +0 :               0.00001323451932
                3p
                   -1 :              -0.00019804910790
                   +0 :              -0.00019373960068
                   +1 :               0.00000052180899
                4p
                   -1 :               0.00004177274130
                   +0 :               0.00004681342870
                   +1 :               0.00002959985208
                3d
                   -2 :              -0.00003893191910
                   -1 :              -0.00003205928138
                   +0 :               0.00004268933166
                   +1 :              -0.00003709812901
                   +2 :              -0.00000713064111
              8 vec=    -7.989449      7.607297     10.693237   |vec|=   15.363840
                2s
                   +0 :              -0.00009678238591
                2p
                   -1 :              -0.00003617959635
                   +0 :               0.00000340254937
                   +1 :              -0.00000423171608
                3s
                   +0 :               0.00026335249653
                4s
                   +0 :               0.00001870255622
                3p
                   -1 :               0.00018197123354
                   +0 :              -0.00009797368929
                   +1 :               0.00007973603939
                4p
                   -1 :              -0.00001584417834
                   +0 :               0.00006962098245
                   +1 :              -0.00004983791118
                3d
                   -2 :               0.00003653378641
                   -1 :               0.00000422084463
                   +0 :              -0.00000727243036
                   +1 :               0.00001225118136
                   +2 :              -0.00004357944943
              9 vec=     7.570876     -1.376461    -13.854306   |vec|=   15.847858
                2s
                   +0 :               0.00009364401324
                2p
                   -1 :              -0.00004126814095
                   +0 :              -0.00001217973838
                   +1 :               0.00002402696608
                3s
                   +0 :              -0.00066454978881
                4s
                   +0 :               0.00013079586972
                3p
                   -1 :               0.00007093890632
                   +0 :               0.00013414154136
                   +1 :              -0.00036294299293
                4p
                   -1 :              -0.00002152244944
                   +0 :              -0.00008441269043
                   +1 :               0.00004108860121
                3d
                   -2 :              -0.00008438435536
                   -1 :              -0.00003037203899
                   +0 :               0.00003953691664
                   +1 :               0.00002518309745
                   +2 :              -0.00004977598672
             10 vec=    -7.989449     -1.376461    -13.854306   |vec|=   16.052032
                2s
                   +0 :              -0.00002429261714
                2p
                   -1 :              -0.00004078465221
                   +0 :               0.00000508717810
                   +1 :               0.00000042739928
                3s
                   +0 :              -0.00038697117062
                4s
                   +0 :               0.00007690188134
                3p
                   -1 :               0.00003684400679
                   +0 :               0.00008950850057
                   +1 :               0.00022727747181
                4p
                   -1 :              -0.00007152258094
                   +0 :              -0.00008398105873
                   +1 :               0.00000236413394
                3d
                   -2 :               0.00003773354440
                   -1 :              -0.00005117983042
                   +0 :               0.00003180194841
                   +1 :               0.00002583230252
                   +2 :              -0.00005123708454
             11 vec=    -0.209286     12.099176     10.693237   |vec|=   16.148658
                2s
                   +0 :               0.00021681058642
                2p
                   -1 :               0.00008578034659
                   +0 :               0.00007893508436
                   +1 :              -0.00000764513853
                3s
                   +0 :              -0.00071697845724
                4s
                   +0 :               0.00032329291602
                3p
                   -1 :              -0.00038669458983
                   +0 :              -0.00035408688972
                   +1 :               0.00001829968652
                4p
                   -1 :               0.00010512372252
                   +0 :               0.00014178402695
                   +1 :               0.00000986550800
                3d
                   -2 :               0.00001944499348
                   -1 :              -0.00005991628153
                   +0 :              -0.00002107990844
                   +1 :               0.00000863419716
                   +2 :               0.00003532847457
             12 vec=     7.570876    -10.360219     10.693237   |vec|=   16.703222
                2s
                   +0 :               0.00006906705491
                2p
                   -1 :              -0.00003139336227
                   +0 :               0.00004338038331
                   +1 :               0.00000882124129
                3s
                   +0 :              -0.00034576949473
                4s
                   +0 :               0.00010494912614
                3p
                   -1 :               0.00023141206392
                   +0 :              -0.00029787064414
                   +1 :              -0.00014640169745
                4p
                   -1 :              -0.00003937361865
                   +0 :               0.00006644137673
                   +1 :               0.00003921906419
                3d
                   -2 :               0.00001921129909
                   -1 :               0.00007229559139
                   +0 :              -0.00004761357062
                   +1 :              -0.00004538147192
                   +2 :               0.00005930274893
             13 vec=    -7.989449    -10.360219     10.693237   |vec|=   16.897064
                2s
                   +0 :              -0.00003168596984
                2p
                   -1 :              -0.00000731567960
                   +0 :              -0.00000800735272
                   +1 :              -0.00000150351430
                3s
                   +0 :               0.00009222938771
                4s
                   +0 :              -0.00000083406001
                3p
                   -1 :               0.00010299592055
                   +0 :               0.00003423255691
                   +1 :               0.00004039278034
                4p
                   -1 :              -0.00004086233788
                   +0 :               0.00000300533084
                   +1 :              -0.00001940505008
                3d
                   -2 :              -0.00002990479773
                   -1 :               0.00002005765804
                   +0 :               0.00002072093878
                   +1 :              -0.00001274422191
                   +2 :               0.00000807461890
             14 vec=     7.570876      7.607297    -13.854306   |vec|=   17.525151
                2s
                   +0 :              -0.00007479634744
                2p
                   -1 :              -0.00001337644507
                   +0 :               0.00002437717293
                   +1 :              -0.00005651248161
                3s
                   +0 :               0.00001783285824
                4s
                   +0 :              -0.00004343995099
                3p
                   -1 :              -0.00002478600386
                   +0 :              -0.00006053820039
                   +1 :               0.00008249695547
                4p
                   -1 :              -0.00000714706218
                   +0 :               0.00001209861893
                   +1 :              -0.00003997691570
                3d
                   -2 :              -0.00001504507476
                   -1 :              -0.00000324050870
                   +0 :               0.00002081421835
                   +1 :              -0.00001643926470
                   +2 :              -0.00002470686078
             15 vec=    -7.989449      7.607297    -13.854306   |vec|=   17.709998
                2s
                   +0 :              -0.00005871674612
                2p
                   -1 :              -0.00003092025732
                   +0 :               0.00001206268828
                   +1 :               0.00001645472613
                3s
                   +0 :               0.00015249674830
                4s
                   +0 :              -0.00001849505738
                3p
                   -1 :               0.00015911430072
                   +0 :              -0.00004637123614
                   +1 :              -0.00005629538476
                4p
                   -1 :              -0.00003761820253
                   +0 :               0.00000168732595
                   +1 :              -0.00000286476799
                3d
                   -2 :              -0.00005952007489
                   -1 :              -0.00001965527266
                   +0 :              -0.00001090100573
                   +1 :               0.00001038132344
                   +2 :              -0.00000181878948
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al(  5)  npairs=  13
              1 vec=    -2.802674     -1.376461      6.601898   |vec|=    7.303060
                2s
                   +0 :              -0.00164699847247
                2p
                   -1 :               0.00042384918514
                   +0 :              -0.00129154060961
                   +1 :               0.00098644379601
                3s
                   +0 :               0.00679576182661
                4s
                   +0 :              -0.00246537407102
                3p
                   -1 :              -0.00017608942335
                   +0 :              -0.00030357688402
                   +1 :              -0.00132068344598
                4p
                   -1 :               0.00020260265280
                   +0 :              -0.00174569899721
                   +1 :               0.00020868898762
                3d
                   -2 :              -0.00322435645080
                   -1 :               0.00122103280322
                   +0 :              -0.00265927104006
                   +1 :               0.00225879952897
                   +2 :              -0.00116415845799
              2 vec=     4.977489      3.115418      6.601898   |vec|=    8.835512
                2s
                   +0 :              -0.00122135847413
                2p
                   -1 :               0.00034619295099
                   +0 :               0.00009859119368
                   +1 :              -0.00002857763597
                3s
                   +0 :               0.01661702538422
                4s
                   +0 :              -0.00034811504902
                3p
                   -1 :               0.00318845387350
                   +0 :               0.00822984520179
                   +1 :               0.00955054709750
                4p
                   -1 :               0.00079325625324
                   +0 :               0.00053650986912
                   +1 :               0.00008006009559
                3d
                   -2 :               0.00228605695046
                   -1 :               0.00189089599119
                   +0 :               0.00063255799029
                   +1 :               0.00388785670521
                   +2 :               0.00174444190127
              3 vec=     4.977489     -5.868340      6.601898   |vec|=   10.138928
                2s
                   +0 :               0.00063539268444
                2p
                   -1 :              -0.00017927211410
                   +0 :               0.00038840757767
                   +1 :              -0.00075504571406
                3s
                   +0 :               0.00055687967042
                4s
                   +0 :              -0.00107362315937
                3p
                   -1 :              -0.00062024002326
                   +0 :              -0.00110832417367
                   +1 :               0.00434350643996
                4p
                   -1 :               0.00055116081561
                   +0 :              -0.00024205816531
                   +1 :              -0.00137052760956
                3d
                   -2 :              -0.00133657258245
                   -1 :               0.00011775035301
                   +0 :               0.00038460541449
                   +1 :               0.00036363360941
                   +2 :               0.00014000816794
              4 vec=    -2.802674      7.607297      6.601898   |vec|=   10.455190
                2s
                   +0 :              -0.00048064443977
                2p
                   -1 :              -0.00019990634957
                   +0 :              -0.00001183573822
                   +1 :              -0.00000734281883
                3s
                   +0 :               0.00243757445071
                4s
                   +0 :              -0.00080810513154
                3p
                   -1 :               0.00180710304008
                   +0 :              -0.00020621508845
                   +1 :              -0.00055895370886
                4p
                   -1 :              -0.00062438734438
                   +0 :               0.00007105519523
                   +1 :               0.00017254005288
                3d
                   -2 :              -0.00035781202181
                   -1 :               0.00011571334404
                   +0 :               0.00025637580995
                   +1 :               0.00003259667992
                   +2 :              -0.00023007631973
              5 vec=    -2.802674    -10.360219      6.601898   |vec|=   12.600563
                2s
                   +0 :              -0.00027085662954
                2p
                   -1 :               0.00006751325634
                   +0 :              -0.00010015176999
                   +1 :              -0.00001901473100
                3s
                   +0 :               0.00064693352217
                4s
                   +0 :              -0.00001309817206
                3p
                   -1 :               0.00004008728124
                   +0 :               0.00068852993528
                   +1 :               0.00045190292923
                4p
                   -1 :              -0.00015457116323
                   +0 :              -0.00005717820503
                   +1 :              -0.00015913821495
                3d
                   -2 :              -0.00018419621577
                   -1 :              -0.00019361053981
                   +0 :               0.00029645580186
                   +1 :               0.00007761926486
                   +2 :               0.00006944783218
              6 vec=   -10.582837      3.115418      6.601898   |vec|=   12.856411
                2s
                   +0 :               0.00043222115072
                2p
                   -1 :               0.00002256270102
                   +0 :               0.00013230745171
                   +1 :              -0.00019515290211
                3s
                   +0 :              -0.00142702816639
                4s
                   +0 :               0.00046359337943
                3p
                   -1 :              -0.00004213894669
                   +0 :              -0.00058385088190
                   +1 :               0.00112257896130
                4p
                   -1 :               0.00002823163246
                   +0 :               0.00017838194252
                   +1 :              -0.00019219675115
                3d
                   -2 :               0.00004309685604
                   -1 :              -0.00007814845360
                   +0 :               0.00005235731639
                   +1 :               0.00016011207253
                   +2 :              -0.00011038595502
              7 vec=   -10.582837     -5.868340      6.601898   |vec|=   13.784734
                2s
                   +0 :               0.00014848372423
                2p
                   -1 :              -0.00000781742724
                   +0 :               0.00008926543244
                   +1 :               0.00000672631546
                3s
                   +0 :              -0.00034705465982
                4s
                   +0 :               0.00018444376339
                3p
                   -1 :               0.00003091056174
                   +0 :              -0.00053373570680
                   +1 :              -0.00016395520770
                4p
                   -1 :              -0.00007700557574
                   +0 :               0.00010346474425
                   +1 :               0.00001922657528
                3d
                   -2 :               0.00006523077163
                   -1 :               0.00002265909386
                   +0 :               0.00002131177802
                   +1 :               0.00008270103632
                   +2 :               0.00004983690027
              8 vec=    12.757651     -1.376461      6.601898   |vec|=   14.430432
                2s
                   +0 :               0.00008722737104
                2p
                   -1 :               0.00001029401207
                   +0 :              -0.00003980693007
                   +1 :               0.00001324354937
                3s
                   +0 :              -0.00028995087323
                4s
                   +0 :               0.00012446803576
                3p
                   -1 :              -0.00014485222745
                   +0 :               0.00009853334475
                   +1 :               0.00000534206158
                4p
                   -1 :               0.00002517213547
                   +0 :               0.00003715855658
                   +1 :              -0.00002375169689
                3d
                   -2 :              -0.00010246927325
                   -1 :               0.00002125035084
                   +0 :              -0.00006280385470
                   +1 :               0.00002116485340
                   +2 :               0.00005148832594
              9 vec=     4.977489     12.099176      6.601898   |vec|=   14.654368
                2s
                   +0 :               0.00004229748491
                2p
                   -1 :               0.00004166189577
                   +0 :               0.00000450737852
                   +1 :              -0.00001005794365
                3s
                   +0 :              -0.00004995021045
                4s
                   +0 :              -0.00008137083653
                3p
                   -1 :              -0.00019961725254
                   +0 :               0.00004904368863
                   +1 :              -0.00008451805285
                4p
                   -1 :               0.00000308014943
                   +0 :              -0.00003356086142
                   +1 :               0.00003060024827
                3d
                   -2 :              -0.00000601523961
                   -1 :               0.00001500706452
                   +0 :               0.00000751930842
                   +1 :              -0.00001470529537
                   +2 :               0.00002932962422
             10 vec=    12.757651      7.607297      6.601898   |vec|=   16.254651
                2s
                   +0 :              -0.00008933682873
                2p
                   -1 :              -0.00001920107923
                   +0 :              -0.00004567309024
                   +1 :              -0.00000746045577
                3s
                   +0 :               0.00033002312396
                4s
                   +0 :              -0.00006839428465
                3p
                   -1 :               0.00013442375178
                   +0 :               0.00022917740007
                   +1 :              -0.00001830646902
                4p
                   -1 :              -0.00003324053576
                   +0 :              -0.00005254982321
                   +1 :               0.00004306866817
                3d
                   -2 :               0.00001877839587
                   -1 :               0.00001486562570
                   +0 :               0.00004003492329
                   +1 :               0.00003717431107
                   +2 :              -0.00001148771734
             11 vec=     4.977489    -14.852098      6.601898   |vec|=   16.998390
                2s
                   +0 :              -0.00000751688505
                2p
                   -1 :              -0.00000560093334
                   +0 :               0.00002298550727
                   +1 :               0.00000162426580
                3s
                   +0 :              -0.00010052182883
                4s
                   +0 :               0.00005937324753
                3p
                   -1 :               0.00009019366015
                   +0 :              -0.00015137309177
                   +1 :               0.00000543636973
                4p
                   -1 :              -0.00004630987909
                   +0 :               0.00003624889807
                   +1 :              -0.00000539773002
                3d
                   -2 :              -0.00003751921279
                   -1 :               0.00003452788663
                   +0 :              -0.00002110643145
                   +1 :              -0.00001085801070
                   +2 :               0.00000208252605
             12 vec=   -10.582837     12.099176      6.601898   |vec|=   17.377328
                2s
                   +0 :              -0.00001689306038
                2p
                   -1 :               0.00002371093842
                   +0 :              -0.00003772236780
                   +1 :               0.00000900290781
                3s
                   +0 :               0.00010732380273
                4s
                   +0 :              -0.00001285688728
                3p
                   -1 :              -0.00012370982400
                   +0 :               0.00019074441210
                   +1 :              -0.00006124586981
                4p
                   -1 :               0.00004121113442
                   +0 :              -0.00003642495352
                   +1 :               0.00000143089509
                3d
                   -2 :               0.00001736088248
                   -1 :               0.00003322862976
                   +0 :               0.00003503392094
                   +1 :              -0.00002850037828
                   +2 :               0.00003085453303
             13 vec=    12.757651    -10.360219      6.601898   |vec|=   17.710925
                2s
                   +0 :              -0.00001083752827
                2p
                   -1 :              -0.00001742843342
                   +0 :               0.00002696521655
                   +1 :              -0.00002723734730
                3s
                   +0 :               0.00011131682526
                4s
                   +0 :              -0.00009141082673
                3p
                   -1 :               0.00007904348508
                   +0 :              -0.00010797255090
                   +1 :               0.00019926721568
                4p
                   -1 :              -0.00001298611459
                   +0 :               0.00000874424219
                   +1 :              -0.00008072484332
                3d
                   -2 :              -0.00002107094399
                   -1 :               0.00001461617053
                   +0 :               0.00002095547259
                   +1 :              -0.00003397578210
                   +2 :               0.00002293245546
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al(  6)  npairs=  15
              1 vec=    -2.802674     -1.376461    -10.693319   |vec|=   11.139869
                2s
                   +0 :              -0.00039881327333
                2p
                   -1 :               0.00015268824213
                   +0 :               0.00024662677735
                   +1 :               0.00031997600713
                3s
                   +0 :              -0.00064534088090
                4s
                   +0 :              -0.00008958664814
                3p
                   -1 :              -0.00175709525431
                   +0 :               0.00012299278963
                   +1 :              -0.00222554644655
                4p
                   -1 :               0.00039732559877
                   +0 :               0.00004690694346
                   +1 :               0.00030645312501
                3d
                   -2 :               0.00013158115888
                   -1 :               0.00023880113540
                   +0 :              -0.00024355442931
                   +1 :               0.00034800226593
                   +2 :              -0.00005152203855
              2 vec=     4.977489      3.115418    -10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00011323608061
                2p
                   -1 :              -0.00005847306031
                   +0 :               0.00000072891914
                   +1 :               0.00010217817157
                3s
                   +0 :              -0.00107180844229
                4s
                   +0 :               0.00027724427453
                3p
                   -1 :               0.00025735580930
                   +0 :               0.00016676684440
                   +1 :              -0.00086936893071
                4p
                   -1 :              -0.00001976690564
                   +0 :              -0.00009989275954
                   +1 :               0.00020389829249
                3d
                   -2 :               0.00029445422052
                   -1 :              -0.00023760777198
                   +0 :               0.00019681642970
                   +1 :               0.00004117938407
                   +2 :               0.00008186741888
              3 vec=     4.977489     -5.868340    -10.693319   |vec|=   13.174213
                2s
                   +0 :               0.00022176711433
                2p
                   -1 :              -0.00000184188366
                   +0 :               0.00000621783625
                   +1 :              -0.00006233832426
                3s
                   +0 :              -0.00209168983165
                4s
                   +0 :               0.00012980123807
                3p
                   -1 :               0.00085301434393
                   +0 :               0.00073967797302
                   +1 :              -0.00021785358283
                4p
                   -1 :              -0.00010320459873
                   +0 :               0.00002481396849
                   +1 :              -0.00009707006617
                3d
                   -2 :               0.00014987630181
                   -1 :              -0.00022891805380
                   +0 :              -0.00010595984843
                   +1 :               0.00013606450609
                   +2 :              -0.00001683702256
              4 vec=    -2.802674      7.607297    -10.693319   |vec|=   13.419128
                2s
                   +0 :               0.00014072335043
                2p
                   -1 :               0.00008873151651
                   +0 :              -0.00003025945536
                   +1 :              -0.00000656166972
                3s
                   +0 :              -0.00110357118137
                4s
                   +0 :               0.00054125407261
                3p
                   -1 :              -0.00104191421569
                   +0 :               0.00060493473809
                   +1 :               0.00021387524355
                4p
                   -1 :               0.00023645884900
                   +0 :              -0.00017023498856
                   +1 :              -0.00014557506673
                3d
                   -2 :               0.00010287271745
                   -1 :               0.00033471928751
                   +0 :              -0.00016459357239
                   +1 :              -0.00002178777348
                   +2 :               0.00022956185597
              5 vec=    -2.802674     -1.376461     13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00001036715600
                2p
                   -1 :              -0.00009806105290
                   +0 :              -0.00001046443338
                   +1 :              -0.00003590251289
                3s
                   +0 :               0.00002158854691
                4s
                   +0 :              -0.00005820031293
                3p
                   -1 :               0.00043358234972
                   +0 :               0.00000733516118
                   +1 :               0.00023071375049
                4p
                   -1 :              -0.00007571556552
                   +0 :              -0.00000679587654
                   +1 :              -0.00003517470616
                3d
                   -2 :              -0.00004163737754
                   -1 :               0.00010434694575
                   +0 :              -0.00002151450266
                   +1 :               0.00000651610908
                   +2 :               0.00007940878781
              6 vec=     4.977489      3.115418     13.854224   |vec|=   15.047283
                2s
                   +0 :              -0.00015561575991
                2p
                   -1 :              -0.00007085928434
                   +0 :              -0.00002151434027
                   +1 :              -0.00011472193240
                3s
                   +0 :               0.00038563872618
                4s
                   +0 :              -0.00006981572044
                3p
                   -1 :               0.00016917238836
                   +0 :               0.00003761130727
                   +1 :               0.00038519544415
                4p
                   -1 :               0.00001313202600
                   +0 :              -0.00001495161772
                   +1 :              -0.00005215696225
                3d
                   -2 :               0.00010550577746
                   -1 :               0.00002903440796
                   +0 :              -0.00007248052247
                   +1 :               0.00000233578426
                   +2 :               0.00007617351295
              7 vec=    -2.802674    -10.360219    -10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00015366024069
                2p
                   -1 :              -0.00003905165657
                   +0 :               0.00008206612043
                   +1 :               0.00008357880438
                3s
                   +0 :               0.00111017180349
                4s
                   +0 :              -0.00006222925691
                3p
                   -1 :               0.00036562998620
                   +0 :              -0.00076601788674
                   +1 :              -0.00072805608982
                4p
                   -1 :              -0.00004535754959
                   +0 :               0.00006313673210
                   +1 :               0.00003601456742
                3d
                   -2 :              -0.00015240009286
                   -1 :              -0.00007635161905
                   +0 :               0.00010444048371
                   +1 :               0.00025789303506
                   +2 :               0.00017659490835
              8 vec=   -10.582837      3.115418    -10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00004251418465
                2p
                   -1 :              -0.00006678618544
                   +0 :               0.00005674893318
                   +1 :              -0.00000993780126
                3s
                   +0 :               0.00006179677150
                4s
                   +0 :              -0.00014673230734
                3p
                   -1 :               0.00042863588788
                   +0 :              -0.00030695991618
                   +1 :               0.00011509732761
                4p
                   -1 :              -0.00011141731665
                   +0 :               0.00012799866136
                   +1 :               0.00001546895975
                3d
                   -2 :              -0.00004366690330
                   -1 :              -0.00009365139107
                   +0 :               0.00003188415955
                   +1 :              -0.00000760614800
                   +2 :               0.00001810061024
              9 vec=     4.977489     -5.868340     13.854224   |vec|=   15.847786
                2s
                   +0 :              -0.00007985629639
                2p
                   -1 :              -0.00000546106395
                   +0 :              -0.00000522952650
                   +1 :              -0.00002798321654
                3s
                   +0 :               0.00044466431823
                4s
                   +0 :              -0.00012773383296
                3p
                   -1 :              -0.00018642144697
                   +0 :               0.00014756433200
                   +1 :               0.00013484338514
                4p
                   -1 :               0.00001538451945
                   +0 :              -0.00007143861843
                   +1 :              -0.00003306759591
                3d
                   -2 :               0.00002705525374
                   -1 :              -0.00004017633418
                   +0 :               0.00000151125733
                   +1 :               0.00003935275168
                   +2 :              -0.00006462537489
             10 vec=    -2.802674      7.607297     13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00005280706076
                2p
                   -1 :              -0.00000739518772
                   +0 :               0.00002096447330
                   +1 :              -0.00003680167697
                3s
                   +0 :               0.00018680029576
                4s
                   +0 :              -0.00003989868165
                3p
                   -1 :               0.00018742536576
                   +0 :               0.00007558486095
                   +1 :              -0.00005439170555
                4p
                   -1 :              -0.00002456298650
                   +0 :              -0.00005358915019
                   +1 :              -0.00006378794850
                3d
                   -2 :              -0.00010546524304
                   -1 :               0.00001827376184
                   +0 :              -0.00000821750208
                   +1 :               0.00005045323961
                   +2 :              -0.00000560679637
             11 vec=   -10.582837     -5.868340    -10.693319   |vec|=   16.148712
                2s
                   +0 :              -0.00008990764089
                2p
                   -1 :               0.00000860445088
                   +0 :               0.00002494376075
                   +1 :               0.00005992825681
                3s
                   +0 :               0.00020258782437
                4s
                   +0 :              -0.00015463869556
                3p
                   -1 :              -0.00003371868671
                   +0 :              -0.00006658538584
                   +1 :              -0.00021961957396
                4p
                   -1 :               0.00002132381376
                   +0 :               0.00006360877105
                   +1 :               0.00006343442395
                3d
                   -2 :               0.00000912776621
                   -1 :              -0.00000447890080
                   +0 :              -0.00002266667036
                   +1 :               0.00000827945783
                   +2 :               0.00004418712453
             12 vec=    12.757651     -1.376461    -10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00011646463415
                2p
                   -1 :               0.00003387361569
                   +0 :              -0.00004539275341
                   +1 :               0.00005456997592
                3s
                   +0 :              -0.00053185159431
                4s
                   +0 :               0.00027146888850
                3p
                   -1 :              -0.00024476337777
                   +0 :               0.00024907899015
                   +1 :              -0.00028016962162
                4p
                   -1 :               0.00007077707150
                   +0 :              -0.00012094852584
                   +1 :               0.00011936290479
                3d
                   -2 :              -0.00002033780743
                   -1 :               0.00001533364091
                   +0 :              -0.00003016461671
                   +1 :               0.00002236199833
                   +2 :              -0.00003785991000
             13 vec=     4.977489     12.099176    -10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00000071848842
                2p
                   -1 :              -0.00002170657095
                   +0 :              -0.00000191914273
                   +1 :              -0.00001837129713
                3s
                   +0 :               0.00000316577435
                4s
                   +0 :              -0.00003772445939
                3p
                   -1 :               0.00012665796473
                   +0 :              -0.00003039282234
                   +1 :               0.00011063825077
                4p
                   -1 :              -0.00003885575001
                   +0 :               0.00002244612171
                   +1 :              -0.00004279843150
                3d
                   -2 :               0.00002663739632
                   -1 :              -0.00001599477495
                   +0 :              -0.00001012254706
                   +1 :              -0.00001994166474
                   +2 :               0.00001003499102
             14 vec=    -2.802674    -10.360219     13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00001628740199
                2p
                   -1 :              -0.00003127219060
                   +0 :               0.00001879992846
                   +1 :               0.00000059766459
                3s
                   +0 :               0.00037032540628
                4s
                   +0 :               0.00001743275515
                3p
                   -1 :              -0.00026344579686
                   +0 :               0.00004854195198
                   +1 :               0.00003691603488
                4p
                   -1 :              -0.00003035737322
                   +0 :               0.00000920325270
                   +1 :              -0.00001645398566
                3d
                   -2 :              -0.00001052360122
                   -1 :              -0.00005048338690
                   +0 :              -0.00006229748395
                   +1 :               0.00000910247156
                   +2 :              -0.00012073273951
             15 vec=   -10.582837      3.115418     13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00000922701785
                2p
                   -1 :              -0.00000519284197
                   +0 :              -0.00000103886612
                   +1 :              -0.00001859161691
                3s
                   +0 :               0.00019337463429
                4s
                   +0 :              -0.00001732665357
                3p
                   -1 :               0.00007410773464
                   +0 :               0.00008676233810
                   +1 :              -0.00008742040331
                4p
                   -1 :              -0.00002080527304
                   +0 :              -0.00002110838241
                   +1 :              -0.00001385136015
                3d
                   -2 :               0.00000803839285
                   -1 :               0.00000215710453
                   +0 :              -0.00001826790161
                   +1 :              -0.00002705947164
                   +2 :               0.00002825808337
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al(  7)  npairs=  14
              1 vec=    -2.802674     -1.376461      1.580453   |vec|=    3.499637
                2s
                   +0 :               0.02238546558545
                2p
                   -1 :              -0.01085145261452
                   +0 :               0.00419182264338
                   +1 :              -0.01945439752309
                3s
                   +0 :               0.03323221067558
                4s
                   +0 :               0.00922502510025
                3p
                   -1 :              -0.02269818429640
                   +0 :              -0.01385582560884
                   +1 :              -0.05408730525054
                4p
                   -1 :              -0.00636091928719
                   +0 :               0.00293185901386
                   +1 :              -0.00731528287754
                3d
                   -2 :               0.03049489725702
                   -1 :              -0.00133975148397
                   +0 :              -0.03066480955762
                   +1 :              -0.00078921329832
                   +2 :               0.02195791718414
              2 vec=     4.977489      3.115418      1.580453   |vec|=    6.081040
                2s
                   +0 :              -0.00183901394089
                2p
                   -1 :              -0.00081260985836
                   +0 :               0.00033603743437
                   +1 :              -0.00123420255343
                3s
                   +0 :               0.00398033170042
                4s
                   +0 :              -0.00360011053776
                3p
                   -1 :               0.00079029222398
                   +0 :               0.00147880544893
                   +1 :               0.00635236461169
                4p
                   -1 :              -0.00057366166640
                   +0 :               0.00050260468115
                   +1 :              -0.00202912953789
                3d
                   -2 :               0.00175574253012
                   -1 :               0.00090390000927
                   +0 :               0.00013557261530
                   +1 :               0.00146523960920
                   +2 :               0.00204360904166
              3 vec=     4.977489     -5.868340      1.580453   |vec|=    7.855612
                2s
                   +0 :               0.00024897901039
                2p
                   -1 :               0.00042587424664
                   +0 :              -0.00018515444157
                   +1 :               0.00063721816287
                3s
                   +0 :              -0.00571321424101
                4s
                   +0 :               0.00097718754571
                3p
                   -1 :               0.00129364260423
                   +0 :               0.00133698162853
                   +1 :              -0.00788726543517
                4p
                   -1 :               0.00029473890319
                   +0 :              -0.00100268312974
                   +1 :               0.00114756476199
                3d
                   -2 :               0.00120849521581
                   -1 :               0.00011327425914
                   +0 :               0.00112470213706
                   +1 :              -0.00079690651423
                   +2 :              -0.00173832778428
              4 vec=    -2.802674      7.607297      1.580453   |vec|=    8.259768
                2s
                   +0 :              -0.00055370164130
                2p
                   -1 :              -0.00056488938998
                   +0 :               0.00020321349537
                   +1 :               0.00080781200392
                3s
                   +0 :               0.00235327235383
                4s
                   +0 :              -0.00084593075643
                3p
                   -1 :               0.00207804941814
                   +0 :              -0.00090331255102
                   +1 :              -0.00393605914429
                4p
                   -1 :              -0.00065728775272
                   +0 :               0.00025178335336
                   +1 :               0.00125070286156
                3d
                   -2 :              -0.00079332307758
                   -1 :              -0.00022066820165
                   +0 :               0.00003405169709
                   +1 :              -0.00075162451529
                   +2 :              -0.00002951150779
              5 vec=    -2.802674    -10.360219      1.580453   |vec|=   10.848362
                2s
                   +0 :               0.00013204421512
                2p
                   -1 :               0.00000218479803
                   +0 :               0.00009874112448
                   +1 :              -0.00004372605098
                3s
                   +0 :               0.00020657920543
                4s
                   +0 :              -0.00004848818444
                3p
                   -1 :              -0.00091103167400
                   +0 :              -0.00140309198123
                   +1 :               0.00029909678120
                4p
                   -1 :               0.00029823572126
                   +0 :               0.00019186573061
                   +1 :               0.00000118428325
                3d
                   -2 :              -0.00007782362111
                   -1 :               0.00029843770099
                   +0 :               0.00018166226149
                   +1 :               0.00019160296565
                   +2 :              -0.00015243205231
              6 vec=   -10.582837      3.115418      1.580453   |vec|=   11.144509
                2s
                   +0 :               0.00001292562929
                2p
                   -1 :              -0.00005434377222
                   +0 :               0.00000280025212
                   +1 :              -0.00000262780322
                3s
                   +0 :               0.00107683113532
                4s
                   +0 :              -0.00034391576683
                3p
                   -1 :               0.00058451778976
                   +0 :              -0.00063583678114
                   +1 :              -0.00064652972251
                4p
                   -1 :              -0.00012535480383
                   +0 :               0.00008413600138
                   +1 :               0.00022666499310
                3d
                   -2 :              -0.00023309998674
                   -1 :              -0.00024187726847
                   +0 :               0.00026550191363
                   +1 :               0.00015078567234
                   +2 :              -0.00014840131940
              7 vec=   -10.582837     -5.868340      1.580453   |vec|=   12.203757
                2s
                   +0 :              -0.00014205295700
                2p
                   -1 :              -0.00003530444843
                   +0 :              -0.00022598326969
                   +1 :               0.00011565148516
                3s
                   +0 :               0.00029729562067
                4s
                   +0 :               0.00005074841096
                3p
                   -1 :               0.00020464038864
                   +0 :               0.00106355437784
                   +1 :              -0.00050535091704
                4p
                   -1 :              -0.00005558028648
                   +0 :              -0.00025239275033
                   +1 :               0.00001719708483
                3d
                   -2 :               0.00001236743332
                   -1 :              -0.00000569551476
                   +0 :               0.00007707812155
                   +1 :              -0.00013244931814
                   +2 :               0.00009830900491
              8 vec=    12.757651     -1.376461      1.580453   |vec|=   12.928656
                2s
                   +0 :              -0.00007906332075
                2p
                   -1 :              -0.00018430866174
                   +0 :               0.00020182707002
                   +1 :               0.00001975275175
                3s
                   +0 :               0.00047541645384
                4s
                   +0 :              -0.00029748350785
                3p
                   -1 :               0.00090805762284
                   +0 :              -0.00086416845423
                   +1 :              -0.00001779247218
                4p
                   -1 :              -0.00023301453653
                   +0 :               0.00020648189008
                   +1 :              -0.00008529165748
                3d
                   -2 :               0.00022407740250
                   -1 :              -0.00002679746384
                   +0 :               0.00010914178778
                   +1 :              -0.00018810897939
                   +2 :              -0.00021071849151
              9 vec=     4.977489     12.099176      1.580453   |vec|=   13.178136
                2s
                   +0 :               0.00024007145940
                2p
                   -1 :               0.00017112043094
                   +0 :               0.00001396557769
                   +1 :              -0.00002126101313
                3s
                   +0 :              -0.00059230484559
                4s
                   +0 :               0.00026969251680
                3p
                   -1 :              -0.00071993171134
                   +0 :               0.00024955124423
                   +1 :               0.00006383943172
                4p
                   -1 :               0.00017944914348
                   +0 :              -0.00004048211838
                   +1 :              -0.00005083277578
                3d
                   -2 :              -0.00000102790807
                   -1 :              -0.00003122370567
                   +0 :               0.00009939432701
                   +1 :              -0.00004136307751
                   +2 :               0.00009351472118
             10 vec=    12.757651      7.607297      1.580453   |vec|=   14.937418
                2s
                   +0 :               0.00004890898697
                2p
                   -1 :               0.00001731915134
                   +0 :               0.00002058294477
                   +1 :              -0.00000412461864
                3s
                   +0 :              -0.00018123295778
                4s
                   +0 :               0.00008426155476
                3p
                   -1 :              -0.00018054581589
                   +0 :               0.00001174997364
                   +1 :              -0.00004157899451
                4p
                   -1 :               0.00007213777286
                   +0 :              -0.00001067886937
                   +1 :               0.00002257272318
                3d
                   -2 :              -0.00003374551862
                   -1 :               0.00001997264304
                   +0 :               0.00006016706801
                   +1 :               0.00005098209960
                   +2 :               0.00004772309859
             11 vec=     4.977489    -14.852098      1.580453   |vec|=   15.743508
                2s
                   +0 :              -0.00000589902755
                2p
                   -1 :              -0.00001471237023
                   +0 :              -0.00001128362120
                   +1 :              -0.00003097820747
                3s
                   +0 :               0.00002495098208
                4s
                   +0 :              -0.00002528125700
                3p
                   -1 :               0.00006111828323
                   +0 :              -0.00006448141663
                   +1 :               0.00016895457692
                4p
                   -1 :              -0.00001512862258
                   +0 :               0.00004894185390
                   +1 :              -0.00007149438920
                3d
                   -2 :               0.00003220594031
                   -1 :               0.00000119486813
                   +0 :              -0.00000313029164
                   +1 :              -0.00001635957205
                   +2 :               0.00003463496810
             12 vec=   -10.582837     12.099176      1.580453   |vec|=   16.151913
                2s
                   +0 :              -0.00000688697296
                2p
                   -1 :               0.00000532435467
                   +0 :               0.00001271553731
                   +1 :               0.00000304858152
                3s
                   +0 :               0.00007695294615
                4s
                   +0 :              -0.00002404576543
                3p
                   -1 :              -0.00003655205893
                   +0 :              -0.00008248304103
                   +1 :              -0.00007199425140
                4p
                   -1 :               0.00000558496227
                   +0 :              -0.00000203018421
                   +1 :               0.00001641846233
                3d
                   -2 :              -0.00001808840876
                   -1 :              -0.00001306908576
                   +0 :               0.00003968933716
                   +1 :               0.00001308422736
                   +2 :               0.00001510018306
             13 vec=    12.757651    -10.360219      1.580453   |vec|=   16.510289
                2s
                   +0 :               0.00002138823271
                2p
                   -1 :              -0.00000206264852
                   +0 :               0.00000418875070
                   +1 :               0.00002184148989
                3s
                   +0 :              -0.00020834003354
                4s
                   +0 :               0.00012275973763
                3p
                   -1 :               0.00011803426132
                   +0 :              -0.00002151606649
                   +1 :              -0.00018081573476
                4p
                   -1 :              -0.00007023012394
                   +0 :               0.00000220962048
                   +1 :               0.00006716450171
                3d
                   -2 :               0.00002881641550
                   -1 :               0.00001557754256
                   +0 :              -0.00002244253117
                   +1 :               0.00000691584549
                   +2 :              -0.00001953400592
             14 vec=    -2.802674     16.591055      1.580453   |vec|=   16.900175
                2s
                   +0 :              -0.00002716726336
                2p
                   -1 :               0.00001640771695
                   +0 :               0.00001086384279
                   +1 :              -0.00001624067121
                3s
                   +0 :               0.00016130562713
                4s
                   +0 :              -0.00006695909934
                3p
                   -1 :              -0.00004648929584
                   +0 :              -0.00003076860744
                   +1 :               0.00008598610391
                4p
                   -1 :              -0.00000295578911
                   +0 :              -0.00000313192545
                   +1 :              -0.00002351929300
                3d
                   -2 :               0.00001595225961
                   -1 :               0.00000014420627
                   +0 :               0.00002027485119
                   +1 :               0.00002738093146
                   +2 :               0.00003929422904
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al(  8)  npairs=  14
              1 vec=    -2.802674     -1.376461     -5.671873   |vec|=    6.474548
                2s
                   +0 :               0.00458074024907
                2p
                   -1 :              -0.00084013594195
                   +0 :              -0.00281790885624
                   +1 :              -0.00202424817730
                3s
                   +0 :              -0.01192017222855
                4s
                   +0 :               0.00772348088032
                3p
                   -1 :               0.00330322214827
                   +0 :               0.01105196726462
                   +1 :               0.00635032066571
                4p
                   -1 :              -0.00197961486476
                   +0 :              -0.00537553180911
                   +1 :              -0.00336288942196
                3d
                   -2 :               0.00112247190549
                   -1 :              -0.00055255147132
                   +0 :              -0.00157828989923
                   +1 :              -0.00067475621585
                   +2 :               0.00094469686755
              2 vec=     4.977489      3.115418     -5.671873   |vec|=    8.164029
                2s
                   +0 :              -0.00119729501936
                2p
                   -1 :              -0.00064981127553
                   +0 :               0.00042953249062
                   +1 :              -0.00103036355293
                3s
                   +0 :              -0.01095029384150
                4s
                   +0 :              -0.00104497262669
                3p
                   -1 :              -0.00028626476242
                   +0 :               0.00011870022659
                   +1 :              -0.00723989478711
                4p
                   -1 :              -0.00139018088525
                   +0 :               0.00039693252399
                   +1 :              -0.00084996769589
                3d
                   -2 :              -0.00193621341112
                   -1 :               0.00021759996464
                   +0 :               0.00191137729292
                   +1 :               0.00073903663081
                   +2 :              -0.00243838551711
              3 vec=     4.977489     -5.868340     -5.671873   |vec|=    9.559444
                2s
                   +0 :              -0.00055795551343
                2p
                   -1 :               0.00021051479497
                   +0 :               0.00004135052133
                   +1 :               0.00108638614750
                3s
                   +0 :               0.00090777097929
                4s
                   +0 :              -0.00024563390002
                3p
                   -1 :              -0.00117085575081
                   +0 :              -0.00022155728025
                   +1 :              -0.00497570796904
                4p
                   -1 :               0.00014986421033
                   +0 :               0.00018562883114
                   +1 :               0.00095097593141
                3d
                   -2 :               0.00109227285207
                   -1 :              -0.00023129643004
                   +0 :              -0.00034066397605
                   +1 :               0.00084696708646
                   +2 :               0.00019765088039
              4 vec=    -2.802674      7.607297     -5.671873   |vec|=    9.894245
                2s
                   +0 :               0.00010764933444
                2p
                   -1 :              -0.00030410226662
                   +0 :              -0.00043382917171
                   +1 :               0.00008048446826
                3s
                   +0 :              -0.00038707266941
                4s
                   +0 :              -0.00003322778824
                3p
                   -1 :               0.00126653829887
                   +0 :               0.00240279694132
                   +1 :              -0.00041450279818
                4p
                   -1 :              -0.00062417002146
                   +0 :              -0.00067887881429
                   +1 :               0.00005270402722
                3d
                   -2 :              -0.00026783994525
                   -1 :               0.00017377723920
                   +0 :              -0.00013028750835
                   +1 :              -0.00014566600197
                   +2 :               0.00020274784428
              5 vec=    -2.802674    -10.360219     -5.671873   |vec|=   12.139163
                2s
                   +0 :              -0.00032803050586
                2p
                   -1 :               0.00017623933415
                   +0 :               0.00005637665583
                   +1 :              -0.00006027643607
                3s
                   +0 :               0.00063121375723
                4s
                   +0 :              -0.00030465479265
                3p
                   -1 :              -0.00036326938813
                   +0 :               0.00032396839716
                   +1 :               0.00015016541780
                4p
                   -1 :               0.00017009947556
                   +0 :               0.00000931683185
                   +1 :              -0.00005829661790
                3d
                   -2 :              -0.00018478268850
                   -1 :               0.00023985154488
                   +0 :              -0.00006134146868
                   +1 :              -0.00006849897356
                   +2 :              -0.00003448240307
              6 vec=   -10.582837      3.115418     -5.671873   |vec|=   12.404532
                2s
                   +0 :              -0.00054423253314
                2p
                   -1 :              -0.00016627117537
                   +0 :               0.00015589323116
                   +1 :               0.00028702153896
                3s
                   +0 :               0.00141185316634
                4s
                   +0 :              -0.00031776771651
                3p
                   -1 :               0.00060586704804
                   +0 :              -0.00046689315174
                   +1 :              -0.00135564814745
                4p
                   -1 :              -0.00017046010401
                   +0 :               0.00008913593452
                   +1 :               0.00014693307499
                3d
                   -2 :              -0.00027984579264
                   -1 :              -0.00009746668312
                   +0 :              -0.00017105626427
                   +1 :               0.00040621122397
                   +2 :               0.00033326075748
              7 vec=   -10.582837     -5.868340     -5.671873   |vec|=   13.364281
                2s
                   +0 :               0.00022497161268
                2p
                   -1 :              -0.00012452610418
                   +0 :               0.00000825742952
                   +1 :              -0.00006818923856
                3s
                   +0 :              -0.00113322996181
                4s
                   +0 :               0.00018692438162
                3p
                   -1 :               0.00058183429239
                   +0 :              -0.00014751209059
                   +1 :               0.00045847396428
                4p
                   -1 :              -0.00009721558443
                   +0 :               0.00007206696462
                   +1 :              -0.00008440927407
                3d
                   -2 :              -0.00013922799576
                   -1 :              -0.00003044577926
                   +0 :              -0.00003632699078
                   +1 :               0.00001587667211
                   +2 :               0.00013829141072
              8 vec=    12.757651     -1.376461     -5.671873   |vec|=   14.029343
                2s
                   +0 :              -0.00030623924278
                2p
                   -1 :              -0.00018386708602
                   +0 :               0.00010182817966
                   +1 :              -0.00022760086072
                3s
                   +0 :               0.00107399577380
                4s
                   +0 :              -0.00042655529669
                3p
                   -1 :               0.00084167026313
                   +0 :              -0.00036146034114
                   +1 :               0.00110429066737
                4p
                   -1 :              -0.00017460644656
                   +0 :               0.00002389895105
                   +1 :              -0.00030795328134
                3d
                   -2 :               0.00020489263732
                   -1 :              -0.00012193568414
                   +0 :              -0.00006015919926
                   +1 :              -0.00021742390470
                   +2 :               0.00011172338731
              9 vec=     4.977489     12.099176     -5.671873   |vec|=   14.259579
                2s
                   +0 :              -0.00005861823814
                2p
                   -1 :               0.00005617701662
                   +0 :               0.00001003766395
                   +1 :              -0.00006998604385
                3s
                   +0 :               0.00019074923382
                4s
                   +0 :              -0.00009183867201
                3p
                   -1 :              -0.00025195514008
                   +0 :              -0.00013713545916
                   +1 :               0.00040084305678
                4p
                   -1 :               0.00001387025249
                   +0 :               0.00006569057683
                   +1 :              -0.00009178745395
                3d
                   -2 :              -0.00004819984352
                   -1 :               0.00006712008001
                   +0 :              -0.00004216417667
                   +1 :              -0.00003518883389
                   +2 :               0.00013922836351
             10 vec=    12.757651      7.607297     -5.671873   |vec|=   15.899647
                2s
                   +0 :              -0.00004869007116
                2p
                   -1 :              -0.00000188856565
                   +0 :               0.00002349976394
                   +1 :              -0.00001330321466
                3s
                   +0 :               0.00012552848930
                4s
                   +0 :              -0.00001614485441
                3p
                   -1 :              -0.00006010995453
                   +0 :              -0.00007523789854
                   +1 :               0.00006619588231
                4p
                   -1 :               0.00002927318452
                   +0 :              -0.00000368743615
                   +1 :              -0.00000500312042
                3d
                   -2 :               0.00001682173540
                   -1 :              -0.00002854315667
                   +0 :               0.00002228795435
                   +1 :              -0.00003519792206
                   +2 :               0.00000908615507
             11 vec=     4.977489    -14.852098     -5.671873   |vec|=   16.659243
                2s
                   +0 :               0.00002107885781
                2p
                   -1 :               0.00000094888980
                   +0 :              -0.00002116950219
                   +1 :              -0.00001507971129
                3s
                   +0 :              -0.00003268211840
                4s
                   +0 :               0.00003016845535
                3p
                   -1 :               0.00007885825412
                   +0 :               0.00035007605676
                   +1 :               0.00023526175513
                4p
                   -1 :               0.00000285579280
                   +0 :              -0.00003175600357
                   +1 :              -0.00002894082367
                3d
                   -2 :              -0.00005576323647
                   -1 :              -0.00006180912773
                   +0 :               0.00003207373431
                   +1 :              -0.00000802889094
                   +2 :              -0.00000381327528
             12 vec=   -10.582837     12.099176     -5.671873   |vec|=   17.045722
                2s
                   +0 :              -0.00003906703438
                2p
                   -1 :              -0.00001955192788
                   +0 :               0.00002135605290
                   +1 :               0.00004074511664
                3s
                   +0 :               0.00001197945376
                4s
                   +0 :              -0.00003006790726
                3p
                   -1 :               0.00007363523741
                   +0 :              -0.00003888269118
                   +1 :              -0.00008864767034
                4p
                   -1 :              -0.00002898921847
                   +0 :               0.00002551959375
                   +1 :               0.00003632694151
                3d
                   -2 :              -0.00003896841227
                   -1 :              -0.00000373553530
                   +0 :              -0.00001475744780
                   +1 :               0.00001525899001
                   +2 :              -0.00001415307715
             13 vec=    12.757651    -10.360219     -5.671873   |vec|=   17.385683
                2s
                   +0 :              -0.00000183688916
                2p
                   -1 :              -0.00001366562157
                   +0 :              -0.00000783839957
                   +1 :               0.00002751485235
                3s
                   +0 :              -0.00013087230350
                4s
                   +0 :               0.00006599314102
                3p
                   -1 :               0.00011468703205
                   +0 :               0.00006428724149
                   +1 :              -0.00022292830714
                4p
                   -1 :              -0.00005429663044
                   +0 :              -0.00003570756827
                   +1 :               0.00007229998644
                3d
                   -2 :               0.00004368395928
                   -1 :              -0.00000797335559
                   +0 :              -0.00003342116918
                   +1 :               0.00003528905548
                   +2 :              -0.00003130767230
             14 vec=    -2.802674     16.591055     -5.671873   |vec|=   17.756357
                2s
                   +0 :              -0.00001042446590
                2p
                   -1 :              -0.00002008356115
                   +0 :               0.00000706413347
                   +1 :               0.00000095715024
                3s
                   +0 :               0.00007217433552
                4s
                   +0 :              -0.00005145183039
                3p
                   -1 :               0.00012389765076
                   +0 :              -0.00006696238426
                   +1 :              -0.00001269731994
                4p
                   -1 :              -0.00005485260280
                   +0 :               0.00002096792894
                   +1 :              -0.00000255732878
                3d
                   -2 :              -0.00000166997335
                   -1 :              -0.00001318684211
                   +0 :              -0.00000120436950
                   +1 :               0.00000929623711
                   +2 :              -0.00001221116353
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al(  9)  npairs=  13
              1 vec=     2.384101     -1.376461     -9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00023008759793
                2p
                   -1 :               0.00002005353998
                   +0 :              -0.00018249755129
                   +1 :              -0.00021739368921
                3s
                   +0 :              -0.00088276250473
                4s
                   +0 :               0.00022104551030
                3p
                   -1 :              -0.00026809544819
                   +0 :               0.00156002575953
                   +1 :               0.00153139316680
                4p
                   -1 :              -0.00008896323656
                   +0 :              -0.00054070981931
                   +1 :              -0.00015141234949
                3d
                   -2 :              -0.00007316680349
                   -1 :              -0.00016606478752
                   +0 :               0.00003824011569
                   +1 :               0.00045503322179
                   +2 :              -0.00029288402837
              2 vec=    -5.396061      3.115418     -9.762967   |vec|=   11.581832
                2s
                   +0 :               0.00084555355852
                2p
                   -1 :               0.00017607699016
                   +0 :              -0.00016515354026
                   +1 :              -0.00004025178924
                3s
                   +0 :              -0.00353506783667
                4s
                   +0 :               0.00119054142580
                3p
                   -1 :              -0.00098676905944
                   +0 :               0.00182296891483
                   +1 :               0.00033595289765
                4p
                   -1 :               0.00031114572736
                   +0 :              -0.00047034178091
                   +1 :              -0.00006028499287
                3d
                   -2 :              -0.00016639510915
                   -1 :               0.00003078822874
                   +0 :              -0.00040448644253
                   +1 :              -0.00014864592993
                   +2 :               0.00011120594216
              3 vec=    -5.396061     -5.868340     -9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00004873526171
                2p
                   -1 :               0.00014037539744
                   +0 :               0.00003974226744
                   +1 :              -0.00004158993074
                3s
                   +0 :              -0.00142261473045
                4s
                   +0 :               0.00000998603798
                3p
                   -1 :               0.00030062312563
                   +0 :               0.00021770202068
                   +1 :               0.00089307716472
                4p
                   -1 :               0.00025033555962
                   +0 :              -0.00000840199455
                   +1 :              -0.00002754784025
                3d
                   -2 :              -0.00025697393325
                   -1 :              -0.00012512022349
                   +0 :               0.00022844583537
                   +1 :              -0.00004557763631
                   +2 :               0.00005015880487
              4 vec=     2.384101      7.607297     -9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00027053855354
                2p
                   -1 :              -0.00026634749211
                   +0 :               0.00010839599051
                   +1 :              -0.00001823883709
                3s
                   +0 :              -0.00084047372921
                4s
                   +0 :              -0.00003832044870
                3p
                   -1 :              -0.00087827856398
                   +0 :               0.00029045011833
                   +1 :               0.00012498781592
                4p
                   -1 :              -0.00013328914500
                   +0 :              -0.00006586170628
                   +1 :              -0.00002452642989
                3d
                   -2 :              -0.00010973248299
                   -1 :               0.00018270930151
                   +0 :               0.00030751267112
                   +1 :               0.00007139679801
                   +2 :               0.00043228236188
              5 vec=     2.384101    -10.360219     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00007976040588
                2p
                   -1 :              -0.00019492760223
                   +0 :              -0.00002555020888
                   +1 :              -0.00005551969687
                3s
                   +0 :              -0.00013599992624
                4s
                   +0 :               0.00009090886872
                3p
                   -1 :               0.00147135886755
                   +0 :               0.00007238801932
                   +1 :               0.00051496636556
                4p
                   -1 :              -0.00024358607440
                   +0 :               0.00003630459741
                   +1 :              -0.00003893757476
                3d
                   -2 :               0.00035446512120
                   -1 :              -0.00028642191617
                   +0 :              -0.00005945964208
                   +1 :              -0.00007409931208
                   +2 :               0.00021016608887
              6 vec=    10.164264      3.115418     -9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00019876116247
                2p
                   -1 :               0.00002786792194
                   +0 :               0.00005436795061
                   +1 :              -0.00006273717469
                3s
                   +0 :               0.00032789035229
                4s
                   +0 :              -0.00015089784148
                3p
                   -1 :              -0.00007691118961
                   +0 :              -0.00015905283659
                   +1 :               0.00004261108879
                4p
                   -1 :               0.00002862701205
                   +0 :               0.00000764206113
                   +1 :               0.00000684649737
                3d
                   -2 :              -0.00006475783714
                   -1 :              -0.00004312364771
                   +0 :              -0.00000816169530
                   +1 :               0.00001745030583
                   +2 :               0.00003821621799
              7 vec=     2.384101     -1.376461     14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00002728029046
                2p
                   -1 :               0.00007916609163
                   +0 :               0.00001677014452
                   +1 :               0.00009366352811
                3s
                   +0 :               0.00018906656260
                4s
                   +0 :              -0.00006681225077
                3p
                   -1 :              -0.00037118533194
                   +0 :               0.00014514167028
                   +1 :              -0.00055419928376
                4p
                   -1 :               0.00012389540376
                   +0 :              -0.00006243974190
                   +1 :               0.00010862500476
                3d
                   -2 :               0.00000508225689
                   -1 :              -0.00000541015510
                   +0 :               0.00004433040872
                   +1 :              -0.00009504118176
                   +2 :               0.00003867462570
              8 vec=    10.164264     -5.868340     -9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00002993059289
                2p
                   -1 :               0.00002755460178
                   +0 :               0.00010375089290
                   +1 :              -0.00001230085813
                3s
                   +0 :               0.00002382100725
                4s
                   +0 :              -0.00022030793830
                3p
                   -1 :              -0.00019767145439
                   +0 :              -0.00045980893636
                   +1 :               0.00002809649664
                4p
                   -1 :               0.00011731826512
                   +0 :               0.00021346595935
                   +1 :              -0.00011088539308
                3d
                   -2 :               0.00005149517060
                   -1 :               0.00008610425852
                   +0 :               0.00001929063792
                   +1 :              -0.00008130464259
                   +2 :              -0.00001326670925
              9 vec=    -5.396061      3.115418     14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00004068932440
                2p
                   -1 :               0.00001510174703
                   +0 :              -0.00000617683965
                   +1 :               0.00001050697955
                3s
                   +0 :               0.00015322419291
                4s
                   +0 :              -0.00000162227794
                3p
                   -1 :              -0.00010794302871
                   +0 :              -0.00005963268018
                   +1 :               0.00012341868627
                4p
                   -1 :               0.00001372796435
                   +0 :               0.00005306383820
                   +1 :              -0.00003905830355
                3d
                   -2 :              -0.00002135820485
                   -1 :              -0.00003246158112
                   +0 :               0.00001004336721
                   +1 :               0.00002460499865
                   +2 :              -0.00002074886650
             10 vec=   -13.176224     -1.376461     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00012956421482
                2p
                   -1 :              -0.00000140525338
                   +0 :              -0.00002924430177
                   +1 :              -0.00008987110960
                3s
                   +0 :              -0.00054182410064
                4s
                   +0 :               0.00015053084356
                3p
                   -1 :              -0.00002894278106
                   +0 :               0.00010435754225
                   +1 :               0.00046260599247
                4p
                   -1 :              -0.00000294755395
                   +0 :              -0.00000720969140
                   +1 :              -0.00010935126174
                3d
                   -2 :              -0.00003495538659
                   -1 :               0.00000930006022
                   +0 :               0.00000932601748
                   +1 :              -0.00004293965363
                   +2 :              -0.00006267055776
             11 vec=    -5.396061     12.099176     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00003409877296
                2p
                   -1 :               0.00001920582490
                   +0 :               0.00000795888932
                   +1 :               0.00000095752254
                3s
                   +0 :              -0.00015186838338
                4s
                   +0 :               0.00007854247342
                3p
                   -1 :              -0.00005511190072
                   +0 :              -0.00008936094634
                   +1 :               0.00000525638026
                4p
                   -1 :               0.00003400591756
                   +0 :               0.00001981879314
                   +1 :               0.00000252865334
                3d
                   -2 :              -0.00000025089958
                   -1 :              -0.00000414044711
                   +0 :               0.00001039356959
                   +1 :               0.00001425388095
                   +2 :               0.00001443845275
             12 vec=    -5.396061     -5.868340     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00003085644883
                2p
                   -1 :              -0.00001008149312
                   +0 :               0.00000567875521
                   +1 :               0.00000640996740
                3s
                   +0 :               0.00034770196454
                4s
                   +0 :              -0.00006966012980
                3p
                   -1 :              -0.00009765737308
                   +0 :               0.00004522907355
                   +1 :              -0.00000466697604
                4p
                   -1 :               0.00000306636441
                   +0 :              -0.00001712836658
                   +1 :              -0.00001300031517
                3d
                   -2 :              -0.00006936482938
                   -1 :              -0.00000987926785
                   +0 :              -0.00006444436897
                   +1 :               0.00003833813759
                   +2 :              -0.00004203114534
             13 vec=     2.384101      7.607297     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00010878837066
                2p
                   -1 :              -0.00001503110381
                   +0 :              -0.00001988734522
                   +1 :               0.00003010131975
                3s
                   +0 :               0.00057072456807
                4s
                   +0 :              -0.00014957205682
                3p
                   -1 :               0.00017372663737
                   +0 :               0.00014922812749
                   +1 :               0.00005882905279
                4p
                   -1 :              -0.00003983599425
                   +0 :              -0.00002746552506
                   +1 :               0.00001449763473
                3d
                   -2 :               0.00010327645161
                   -1 :               0.00002029607841
                   +0 :              -0.00005606801813
                   +1 :               0.00003547215545
                   +2 :               0.00002799123208
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al( 10)  npairs=  14
              1 vec=     2.384101     -1.376461     -2.510641   |vec|=    3.725842
                2s
                   +0 :              -0.02033729495541
                2p
                   -1 :               0.01063985939221
                   +0 :               0.01885665347989
                   +1 :              -0.02380385021501
                3s
                   +0 :              -0.07754057062088
                4s
                   +0 :              -0.00612531850817
                3p
                   -1 :               0.03233479378066
                   +0 :               0.02987886602605
                   +1 :              -0.04036588113163
                4p
                   -1 :               0.00402293430320
                   +0 :               0.00964362876028
                   +1 :              -0.01331433362692
                3d
                   -2 :               0.03227526119800
                   -1 :              -0.01876777836648
                   +0 :               0.00862136186447
                   +1 :               0.03371930175797
                   +2 :              -0.02015250762236
              2 vec=    -5.396061      3.115418     -2.510641   |vec|=    6.717635
                2s
                   +0 :               0.00227440191350
                2p
                   -1 :               0.00050715263211
                   +0 :              -0.00056363081868
                   +1 :              -0.00184475226384
                3s
                   +0 :              -0.00937328161237
                4s
                   +0 :               0.00534796542993
                3p
                   -1 :              -0.00181794648525
                   +0 :               0.00013968244990
                   +1 :               0.00725420265265
                4p
                   -1 :               0.00092313999389
                   +0 :              -0.00166922326343
                   +1 :              -0.00314891445802
                3d
                   -2 :               0.00115053799368
                   -1 :               0.00010538981667
                   +0 :              -0.00282724647341
                   +1 :              -0.00027160492029
                   +2 :              -0.00009143391510
              3 vec=    -5.396061     -5.868340     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00095436850863
                2p
                   -1 :               0.00000439370717
                   +0 :               0.00015160557154
                   +1 :               0.00035000764580
                3s
                   +0 :               0.00330535299439
                4s
                   +0 :              -0.00203775695127
                3p
                   -1 :              -0.00171928330719
                   +0 :              -0.00114698632953
                   +1 :              -0.00179829436980
                4p
                   -1 :               0.00044141125662
                   +0 :               0.00043436151604
                   +1 :               0.00043583326710
                3d
                   -2 :               0.00019441484483
                   -1 :              -0.00024986181953
                   +0 :               0.00026416253718
                   +1 :               0.00040201445703
                   +2 :               0.00080072048150
              4 vec=     2.384101      7.607297     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00060857093391
                2p
                   -1 :              -0.00047114177935
                   +0 :               0.00037079630819
                   +1 :               0.00004189384991
                3s
                   +0 :               0.00627532543636
                4s
                   +0 :              -0.00288080490426
                3p
                   -1 :               0.00558876383774
                   +0 :              -0.00431832421382
                   +1 :               0.00053824384756
                4p
                   -1 :              -0.00181171915686
                   +0 :               0.00110189737507
                   +1 :              -0.00076135264920
                3d
                   -2 :               0.00044116825781
                   -1 :              -0.00113853093646
                   +0 :               0.00041427906932
                   +1 :              -0.00042723494450
                   +2 :              -0.00089094445310
              5 vec=     2.384101    -10.360219     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00023540712870
                2p
                   -1 :               0.00027221724887
                   +0 :              -0.00031976454814
                   +1 :              -0.00005344754274
                3s
                   +0 :              -0.00101013136574
                4s
                   +0 :               0.00022374609631
                3p
                   -1 :               0.00009097150316
                   +0 :               0.00163010383989
                   +1 :               0.00055013643129
                4p
                   -1 :               0.00008595008176
                   +0 :              -0.00038186379087
                   +1 :               0.00003205539412
                3d
                   -2 :              -0.00035758399696
                   -1 :              -0.00027603322936
                   +0 :               0.00001896140702
                   +1 :               0.00024016709232
                   +2 :               0.00007544820837
              6 vec=    10.164264      3.115418     -2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00005658623110
                2p
                   -1 :              -0.00001071588074
                   +0 :               0.00005922560204
                   +1 :               0.00017906081008
                3s
                   +0 :              -0.00125757013680
                4s
                   +0 :               0.00052332253184
                3p
                   -1 :              -0.00079867502581
                   +0 :              -0.00006654407960
                   +1 :              -0.00164865532295
                4p
                   -1 :               0.00023591965468
                   +0 :              -0.00008331638021
                   +1 :               0.00045411877301
                3d
                   -2 :              -0.00036876334991
                   -1 :              -0.00005477165530
                   +0 :               0.00016446960312
                   +1 :               0.00002632904929
                   +2 :               0.00002365844916
              7 vec=    10.164264     -5.868340     -2.510641   |vec|=   12.002208
                2s
                   +0 :               0.00010565151835
                2p
                   -1 :              -0.00008875544737
                   +0 :              -0.00005464778299
                   +1 :              -0.00013810760090
                3s
                   +0 :              -0.00006283397078
                4s
                   +0 :              -0.00042391612117
                3p
                   -1 :               0.00025526003125
                   +0 :               0.00019954150442
                   +1 :               0.00098452934089
                4p
                   -1 :               0.00010656758567
                   +0 :              -0.00006131573940
                   +1 :              -0.00053874696927
                3d
                   -2 :               0.00031582076984
                   -1 :              -0.00013168631796
                   +0 :              -0.00005769818150
                   +1 :               0.00002301419516
                   +2 :               0.00033297361705
              8 vec=   -13.176224     -1.376461     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00016064764087
                2p
                   -1 :              -0.00002939002074
                   +0 :              -0.00006377596965
                   +1 :               0.00003366947275
                3s
                   +0 :               0.00038819773427
                4s
                   +0 :               0.00002609975598
                3p
                   -1 :               0.00016304743179
                   +0 :               0.00019402243140
                   +1 :               0.00002885864397
                4p
                   -1 :              -0.00005488489496
                   +0 :              -0.00000837486674
                   +1 :              -0.00011724649982
                3d
                   -2 :              -0.00000557456900
                   -1 :               0.00005103634286
                   +0 :               0.00000331833377
                   +1 :              -0.00003336164738
                   +2 :              -0.00006162698005
              9 vec=    -5.396061     12.099176     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00016481512874
                2p
                   -1 :               0.00001813833729
                   +0 :               0.00007717940114
                   +1 :              -0.00001567612475
                3s
                   +0 :               0.00062843521154
                4s
                   +0 :              -0.00016047836351
                3p
                   -1 :              -0.00003048881038
                   +0 :              -0.00041280733872
                   +1 :               0.00017978421167
                4p
                   -1 :              -0.00000835206900
                   +0 :               0.00002676742067
                   +1 :              -0.00006461887247
                3d
                   -2 :               0.00025782756871
                   -1 :              -0.00020726801773
                   +0 :               0.00006331797647
                   +1 :              -0.00005633927961
                   +2 :               0.00000973195887
             10 vec=   -13.176224      7.607297     -2.510641   |vec|=   15.420349
                2s
                   +0 :               0.00000244877354
                2p
                   -1 :              -0.00000421066307
                   +0 :               0.00002807947992
                   +1 :              -0.00004563150996
                3s
                   +0 :              -0.00000712482246
                4s
                   +0 :               0.00001315271993
                3p
                   -1 :               0.00004003053038
                   +0 :              -0.00016230174436
                   +1 :               0.00021414056793
                4p
                   -1 :              -0.00001851249104
                   +0 :               0.00003046155307
                   +1 :              -0.00007530625008
                3d
                   -2 :               0.00004307956811
                   -1 :              -0.00001627601384
                   +0 :               0.00000587007660
                   +1 :               0.00004856049375
                   +2 :              -0.00003981835996
             11 vec=    -5.396061    -14.852098     -2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00006480398207
                2p
                   -1 :              -0.00004603059805
                   +0 :               0.00004146700656
                   +1 :               0.00004157548749
                3s
                   +0 :              -0.00037564993032
                4s
                   +0 :               0.00010133138954
                3p
                   -1 :               0.00033064441363
                   +0 :              -0.00018687963399
                   +1 :              -0.00026459232427
                4p
                   -1 :              -0.00008558094150
                   +0 :               0.00000884114896
                   +1 :               0.00005956129102
                3d
                   -2 :               0.00002860142272
                   -1 :               0.00005589927389
                   +0 :               0.00001122422127
                   +1 :              -0.00000238128495
                   +2 :               0.00004478440212
             12 vec=    10.164264     12.099176     -2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00002937736772
                2p
                   -1 :              -0.00000445603662
                   +0 :              -0.00002017595283
                   +1 :              -0.00001900878870
                3s
                   +0 :              -0.00003270484157
                4s
                   +0 :              -0.00000223467686
                3p
                   -1 :              -0.00002488878245
                   +0 :              -0.00000035018426
                   +1 :               0.00001029139233
                4p
                   -1 :               0.00001872285896
                   +0 :              -0.00001408966982
                   +1 :              -0.00000941839785
                3d
                   -2 :               0.00000774884849
                   -1 :              -0.00002324757908
                   +0 :              -0.00001992432798
                   +1 :               0.00000103989598
                   +2 :              -0.00003025147591
             13 vec=   -13.176224    -10.360219     -2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00003057483722
                2p
                   -1 :               0.00001486823258
                   +0 :              -0.00001028458590
                   +1 :              -0.00000867019385
                3s
                   +0 :              -0.00014599805123
                4s
                   +0 :               0.00002018834142
                3p
                   -1 :              -0.00004637795566
                   +0 :               0.00001758854926
                   +1 :               0.00003243670509
                4p
                   -1 :               0.00001000238229
                   +0 :               0.00000962718921
                   +1 :               0.00000596519618
                3d
                   -2 :               0.00001068491431
                   -1 :              -0.00000968987095
                   +0 :              -0.00001599883401
                   +1 :              -0.00000922860553
                   +2 :              -0.00001486600602
             14 vec=     2.384101     16.591055     -2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00002681221890
                2p
                   -1 :              -0.00001103907787
                   +0 :              -0.00000045128834
                   +1 :               0.00000578707693
                3s
                   +0 :               0.00012857697353
                4s
                   +0 :              -0.00003910235333
                3p
                   -1 :               0.00004757411371
                   +0 :              -0.00002753068811
                   +1 :               0.00000020147010
                4p
                   -1 :              -0.00000699189180
                   +0 :               0.00000844483421
                   +1 :               0.00002017216945
                3d
                   -2 :              -0.00002788860488
                   -1 :               0.00000613618350
                   +0 :               0.00000232392435
                   +1 :               0.00001446671047
                   +2 :               0.00003077815516
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al( 11)  npairs=  13
              1 vec=     2.384101     -1.376461      9.763130   |vec|=   10.143831
                2s
                   +0 :               0.00048039909314
                2p
                   -1 :              -0.00025373927339
                   +0 :              -0.00021699799931
                   +1 :               0.00023162849989
                3s
                   +0 :              -0.00008174157019
                4s
                   +0 :              -0.00001905703440
                3p
                   -1 :               0.00115153373034
                   +0 :               0.00182325087874
                   +1 :              -0.00085639512156
                4p
                   -1 :              -0.00020495748964
                   +0 :              -0.00059316681772
                   +1 :               0.00002534209147
                3d
                   -2 :              -0.00012174684775
                   -1 :              -0.00039682091625
                   +0 :               0.00013608201588
                   +1 :               0.00047487328101
                   +2 :              -0.00018322363916
              2 vec=    -5.396061      3.115418      9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00075878484124
                2p
                   -1 :               0.00005606905882
                   +0 :              -0.00017310452144
                   +1 :               0.00011675463670
                3s
                   +0 :               0.00270052396380
                4s
                   +0 :              -0.00113755933577
                3p
                   -1 :              -0.00031968113081
                   +0 :               0.00140594910059
                   +1 :              -0.00067684653619
                4p
                   -1 :               0.00014167142770
                   +0 :              -0.00048440543159
                   +1 :               0.00022702197411
                3d
                   -2 :               0.00018510162888
                   -1 :              -0.00001193159499
                   +0 :               0.00029615306114
                   +1 :              -0.00009324247588
                   +2 :              -0.00016390965605
              3 vec=    -5.396061     -5.868340      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00035147561491
                2p
                   -1 :              -0.00021592333905
                   +0 :               0.00013927852502
                   +1 :              -0.00031297758504
                3s
                   +0 :               0.00165910813883
                4s
                   +0 :               0.00016224847728
                3p
                   -1 :              -0.00010599107099
                   +0 :               0.00029150654910
                   +1 :              -0.00136462773404
                4p
                   -1 :              -0.00022614479957
                   +0 :              -0.00005346672769
                   +1 :              -0.00014660006706
                3d
                   -2 :               0.00047362063072
                   -1 :              -0.00003323902179
                   +0 :              -0.00036681750017
                   +1 :              -0.00018356038936
                   +2 :               0.00048139886256
              4 vec=     2.384101      7.607297      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00002157046233
                2p
                   -1 :               0.00014037192204
                   +0 :               0.00005111129249
                   +1 :               0.00018579246854
                3s
                   +0 :               0.00164063705829
                4s
                   +0 :               0.00007613873325
                3p
                   -1 :               0.00099372694403
                   +0 :               0.00027398478862
                   +1 :              -0.00062797273089
                4p
                   -1 :               0.00019045518759
                   +0 :               0.00006378489835
                   +1 :               0.00031928238594
                3d
                   -2 :               0.00004262735159
                   -1 :               0.00014163765903
                   +0 :              -0.00024519852288
                   +1 :               0.00010791412453
                   +2 :              -0.00035668707247
              5 vec=     2.384101    -10.360219      9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00001379102507
                2p
                   -1 :              -0.00003231145154
                   +0 :              -0.00001866690454
                   +1 :               0.00018489949185
                3s
                   +0 :              -0.00013881279676
                4s
                   +0 :               0.00007270795927
                3p
                   -1 :               0.00022019153775
                   +0 :               0.00006715754030
                   +1 :              -0.00086451716688
                4p
                   -1 :              -0.00008888127067
                   +0 :              -0.00001726361068
                   +1 :               0.00015495546843
                3d
                   -2 :               0.00017766507412
                   -1 :              -0.00000865151322
                   +0 :              -0.00000857353589
                   +1 :              -0.00013335015347
                   +2 :               0.00001315095686
              6 vec=    10.164264      3.115418      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00013806034032
                2p
                   -1 :              -0.00007631031050
                   +0 :              -0.00001806805116
                   +1 :              -0.00012377713037
                3s
                   +0 :               0.00057310135608
                4s
                   +0 :              -0.00020577436619
                3p
                   -1 :               0.00034550199654
                   +0 :               0.00006526342108
                   +1 :               0.00061934464305
                4p
                   -1 :              -0.00008636789037
                   +0 :              -0.00000126107408
                   +1 :              -0.00020784106688
                3d
                   -2 :               0.00002867711385
                   -1 :               0.00009018923329
                   +0 :              -0.00004664768000
                   +1 :               0.00005181645099
                   +2 :              -0.00004590355455
              7 vec=     2.384101     -1.376461    -14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00002152320397
                2p
                   -1 :               0.00009952393798
                   +0 :               0.00001626959049
                   +1 :              -0.00002520646828
                3s
                   +0 :              -0.00051734368409
                4s
                   +0 :               0.00011678542131
                3p
                   -1 :              -0.00058014596434
                   +0 :               0.00014604439930
                   +1 :               0.00026057419878
                4p
                   -1 :               0.00012654241127
                   +0 :              -0.00005590568693
                   +1 :              -0.00000764038707
                3d
                   -2 :               0.00003070243963
                   -1 :               0.00006229923892
                   +0 :              -0.00001581859688
                   +1 :              -0.00008481837165
                   +2 :              -0.00000128188897
              8 vec=    10.164264     -5.868340      9.763130   |vec|=   15.266578
                2s
                   +0 :               0.00018677486388
                2p
                   -1 :              -0.00008045390556
                   +0 :               0.00016597636277
                   +1 :               0.00010478548484
                3s
                   +0 :              -0.00051586934814
                4s
                   +0 :               0.00022124166932
                3p
                   -1 :               0.00044515411267
                   +0 :              -0.00071938106625
                   +1 :              -0.00040510542272
                4p
                   -1 :              -0.00017173435060
                   +0 :               0.00022012028585
                   +1 :               0.00010044574363
                3d
                   -2 :               0.00007514522541
                   -1 :               0.00011385426578
                   +0 :              -0.00003697646869
                   +1 :              -0.00022331598506
                   +2 :              -0.00005655199120
              9 vec=    -5.396061      3.115418    -14.784412   |vec|=   16.043757
                2s
                   +0 :               0.00009719054059
                2p
                   -1 :               0.00002836700854
                   +0 :              -0.00002470446631
                   +1 :              -0.00000487045013
                3s
                   +0 :              -0.00038496695040
                4s
                   +0 :               0.00005870072659
                3p
                   -1 :              -0.00013153864096
                   +0 :               0.00002972334900
                   +1 :              -0.00000174985765
                4p
                   -1 :              -0.00000851897750
                   +0 :               0.00003415941139
                   +1 :               0.00001553283960
                3d
                   -2 :              -0.00002310205086
                   -1 :               0.00003088657161
                   +0 :              -0.00004483581533
                   +1 :              -0.00000914834425
                   +2 :              -0.00004851000046
             10 vec=   -13.176224     -1.376461      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00006411930539
                2p
                   -1 :              -0.00000665031466
                   +0 :              -0.00000286583956
                   +1 :               0.00004353209442
                3s
                   +0 :               0.00022139119079
                4s
                   +0 :              -0.00006528594494
                3p
                   -1 :               0.00003759159957
                   +0 :               0.00001169490360
                   +1 :              -0.00014987852139
                4p
                   -1 :              -0.00002374690498
                   +0 :               0.00001292634120
                   +1 :               0.00005158452080
                3d
                   -2 :               0.00002516179579
                   -1 :              -0.00002860376017
                   +0 :               0.00001044684934
                   +1 :              -0.00003234153029
                   +2 :               0.00000454001779
             11 vec=    -5.396061     12.099176      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00008934849655
                2p
                   -1 :              -0.00005555979068
                   +0 :              -0.00000185376005
                   +1 :               0.00003869047084
                3s
                   +0 :               0.00036946615949
                4s
                   +0 :              -0.00013833750004
                3p
                   -1 :               0.00026972475110
                   +0 :              -0.00001657124033
                   +1 :              -0.00023950897583
                4p
                   -1 :              -0.00008627298962
                   +0 :               0.00000721584719
                   +1 :               0.00008183257966
                3d
                   -2 :               0.00001691066872
                   -1 :              -0.00003068764398
                   +0 :              -0.00002583017162
                   +1 :              -0.00002115307382
                   +2 :              -0.00001217553014
             12 vec=    -5.396061     -5.868340    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00010756364822
                2p
                   -1 :               0.00001281336421
                   +0 :              -0.00001447442214
                   +1 :              -0.00001488068057
                3s
                   +0 :              -0.00074021124119
                4s
                   +0 :               0.00015765281762
                3p
                   -1 :               0.00026099416734
                   +0 :               0.00017992155856
                   +1 :               0.00003299229238
                4p
                   -1 :              -0.00001029513096
                   +0 :              -0.00002707364847
                   +1 :              -0.00002960885690
                3d
                   -2 :              -0.00001144786213
                   -1 :              -0.00004264359099
                   +0 :               0.00004949366763
                   +1 :               0.00001361138571
                   +2 :               0.00012686007978
             13 vec=     2.384101      7.607297    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00011298748750
                2p
                   -1 :               0.00000579768089
                   +0 :              -0.00002653770950
                   +1 :               0.00003559593912
                3s
                   +0 :              -0.00065947263670
                4s
                   +0 :               0.00019688722561
                3p
                   -1 :              -0.00004668530860
                   +0 :               0.00022151588864
                   +1 :              -0.00035098926231
                4p
                   -1 :              -0.00000845976433
                   +0 :              -0.00006598405891
                   +1 :               0.00006775953822
                3d
                   -2 :              -0.00001184632015
                   -1 :              -0.00002362877868
                   +0 :               0.00003212593887
                   +1 :               0.00007675251479
                   +2 :              -0.00009151253058
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site Al( 12)  npairs=  14
              1 vec=     2.384101     -1.376461      2.510804   |vec|=    3.725953
                2s
                   +0 :               0.02026204477536
                2p
                   -1 :              -0.01516917736247
                   +0 :               0.01875216476439
                   +1 :               0.02104182768681
                3s
                   +0 :               0.08103506657158
                4s
                   +0 :               0.00603117643559
                3p
                   -1 :              -0.02137306734449
                   +0 :               0.02987179156465
                   +1 :               0.05030012687383
                4p
                   -1 :              -0.00930063762748
                   +0 :               0.00960556717444
                   +1 :               0.00998827049521
                3d
                   -2 :              -0.03421661649095
                   -1 :              -0.01994231413210
                   +0 :              -0.00922469879606
                   +1 :               0.03303208154973
                   +2 :               0.01775543788487
              2 vec=    -5.396061      3.115418      2.510804   |vec|=    6.717696
                2s
                   +0 :              -0.00215841448538
                2p
                   -1 :              -0.00139309563589
                   +0 :              -0.00052577109161
                   +1 :               0.00123523970003
                3s
                   +0 :               0.00888784057968
                4s
                   +0 :              -0.00538854346427
                3p
                   -1 :               0.00601467705302
                   +0 :              -0.00000739255539
                   +1 :              -0.00445243542392
                4p
                   -1 :              -0.00247378391711
                   +0 :              -0.00157014511943
                   +1 :               0.00225206163724
                3d
                   -2 :              -0.00067365832151
                   -1 :               0.00011071162476
                   +0 :               0.00288053577555
                   +1 :              -0.00038533180425
                   +2 :               0.00063315890304
              3 vec=    -5.396061     -5.868340      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00064052808016
                2p
                   -1 :              -0.00027181978552
                   +0 :               0.00037716597498
                   +1 :              -0.00023797507309
                3s
                   +0 :              -0.00592349299466
                4s
                   +0 :               0.00279234154233
                3p
                   -1 :               0.00317004688209
                   +0 :              -0.00432678010889
                   +1 :               0.00327843602994
                4p
                   -1 :              -0.00155557477073
                   +0 :               0.00118654959377
                   +1 :              -0.00087816078326
                3d
                   -2 :              -0.00077405553584
                   -1 :               0.00101924015547
                   +0 :              -0.00029374363577
                   +1 :               0.00084761722563
                   +2 :               0.00003748252230
              4 vec=     2.384101      7.607297      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00112560621725
                2p
                   -1 :               0.00031782029515
                   +0 :               0.00016466394538
                   +1 :              -0.00020530960279
                3s
                   +0 :              -0.00431217938247
                4s
                   +0 :               0.00213042060104
                3p
                   -1 :              -0.00255033719766
                   +0 :              -0.00111633240281
                   +1 :              -0.00025765196838
                4p
                   -1 :               0.00060487868865
                   +0 :               0.00044157653872
                   +1 :               0.00013493014419
                3d
                   -2 :               0.00064295048475
                   -1 :              -0.00021959151504
                   +0 :              -0.00010165457373
                   +1 :               0.00049536256695
                   +2 :               0.00050681888540
              5 vec=     2.384101    -10.360219      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00008277181573
                2p
                   -1 :               0.00007333488055
                   +0 :               0.00006368907643
                   +1 :              -0.00004888377154
                3s
                   +0 :               0.00046085382223
                4s
                   +0 :              -0.00037420317199
                3p
                   -1 :              -0.00127268722455
                   +0 :              -0.00015970375421
                   +1 :              -0.00011853375029
                4p
                   -1 :               0.00044411933051
                   +0 :              -0.00004409116009
                   +1 :               0.00003694554072
                3d
                   -2 :               0.00020762282072
                   -1 :              -0.00000291963738
                   +0 :              -0.00009465305106
                   +1 :               0.00009567989507
                   +2 :              -0.00022575503205
              6 vec=    10.164264      3.115418      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00034798222645
                2p
                   -1 :               0.00010579171486
                   +0 :              -0.00035503564842
                   +1 :               0.00030983674868
                3s
                   +0 :               0.00064424923488
                4s
                   +0 :              -0.00014790557395
                3p
                   -1 :               0.00035972944601
                   +0 :               0.00154082923220
                   +1 :              -0.00033850378884
                4p
                   -1 :               0.00008884999730
                   +0 :              -0.00043695695629
                   +1 :               0.00011145802286
                3d
                   -2 :               0.00027770295610
                   -1 :              -0.00014915356319
                   +0 :               0.00002822035763
                   +1 :               0.00026744154421
                   +2 :              -0.00024069243277
              7 vec=    10.164264     -5.868340      2.510804   |vec|=   12.002242
                2s
                   +0 :              -0.00015717505358
                2p
                   -1 :              -0.00020782389334
                   +0 :              -0.00008529975850
                   +1 :              -0.00003656165746
                3s
                   +0 :               0.00016903340180
                4s
                   +0 :               0.00038506038213
                3p
                   -1 :               0.00124627387524
                   +0 :               0.00042909035058
                   +1 :              -0.00012852001218
                4p
                   -1 :              -0.00045417605985
                   +0 :              -0.00011820882681
                   +1 :               0.00033038057413
                3d
                   -2 :               0.00019591316934
                   -1 :               0.00002336515184
                   +0 :              -0.00000103935045
                   +1 :               0.00015393813662
                   +2 :               0.00040282967373
              8 vec=   -13.176224     -1.376461      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00016576313348
                2p
                   -1 :              -0.00001086785102
                   +0 :               0.00007841073764
                   +1 :               0.00000501926371
                3s
                   +0 :              -0.00072818263807
                4s
                   +0 :               0.00018005124105
                3p
                   -1 :               0.00014685666795
                   +0 :              -0.00042355830689
                   +1 :               0.00005367489315
                4p
                   -1 :              -0.00005718031756
                   +0 :               0.00003846334176
                   +1 :              -0.00001381051265
                3d
                   -2 :              -0.00013680631091
                   -1 :               0.00015516133347
                   +0 :              -0.00005949582804
                   +1 :               0.00013753427411
                   +2 :               0.00023320503741
              9 vec=    -5.396061     12.099176      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00015164303796
                2p
                   -1 :               0.00002677631398
                   +0 :              -0.00008502700513
                   +1 :              -0.00003381670111
                3s
                   +0 :              -0.00034417314397
                4s
                   +0 :              -0.00002516951570
                3p
                   -1 :               0.00001177039364
                   +0 :               0.00032015083950
                   +1 :               0.00007017101658
                4p
                   -1 :              -0.00009831543932
                   +0 :              -0.00005595279263
                   +1 :               0.00001392514488
                3d
                   -2 :              -0.00003055195819
                   -1 :               0.00003458836293
                   +0 :              -0.00000250828300
                   +1 :              -0.00006816439016
                   +2 :               0.00001085232411
             10 vec=   -13.176224      7.607297      2.510804   |vec|=   15.420376
                2s
                   +0 :              -0.00002794408232
                2p
                   -1 :              -0.00004006607285
                   +0 :               0.00002138473219
                   +1 :               0.00003567003657
                3s
                   +0 :               0.00006844629822
                4s
                   +0 :              -0.00003042996972
                3p
                   -1 :               0.00017389795860
                   +0 :              -0.00011703711262
                   +1 :              -0.00016309832428
                4p
                   -1 :              -0.00005819507012
                   +0 :               0.00001504538130
                   +1 :               0.00003915357432
                3d
                   -2 :              -0.00005347063928
                   -1 :              -0.00002026942060
                   +0 :              -0.00000993008962
                   +1 :               0.00004331427122
                   +2 :               0.00004113743167
             11 vec=    -5.396061    -14.852098      2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00003603029553
                2p
                   -1 :              -0.00003075397086
                   +0 :              -0.00001922855028
                   +1 :               0.00001692015444
                3s
                   +0 :               0.00008870582905
                4s
                   +0 :               0.00000028162010
                3p
                   -1 :              -0.00001973945744
                   +0 :              -0.00002557516754
                   +1 :              -0.00006442166074
                4p
                   -1 :              -0.00000581131569
                   +0 :              -0.00000786959793
                   +1 :               0.00003444805265
                3d
                   -2 :              -0.00002214992723
                   -1 :               0.00003223148926
                   +0 :               0.00001866856915
                   +1 :               0.00001701565705
                   +2 :              -0.00001851404433
             12 vec=    10.164264     12.099176      2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00004673947246
                2p
                   -1 :               0.00002481228564
                   +0 :               0.00004108890995
                   +1 :              -0.00006519625478
                3s
                   +0 :               0.00033752780760
                4s
                   +0 :              -0.00009956211578
                3p
                   -1 :              -0.00013622419885
                   +0 :              -0.00026693573321
                   +1 :               0.00047465182114
                4p
                   -1 :               0.00002558406148
                   +0 :               0.00002948600729
                   +1 :              -0.00011229451218
                3d
                   -2 :               0.00002726637513
                   -1 :              -0.00002085038595
                   +0 :               0.00001034616467
                   +1 :              -0.00006785795630
                   +2 :               0.00006322494239
             13 vec=   -13.176224    -10.360219      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00000848851070
                2p
                   -1 :               0.00001156616884
                   +0 :               0.00000514371354
                   +1 :              -0.00002176018374
                3s
                   +0 :              -0.00006005720138
                4s
                   +0 :               0.00001837764644
                3p
                   -1 :              -0.00007220759389
                   +0 :              -0.00005019998998
                   +1 :               0.00011357153999
                4p
                   -1 :               0.00003428080493
                   +0 :               0.00000470115332
                   +1 :              -0.00003008034328
                3d
                   -2 :               0.00001901161339
                   -1 :              -0.00001561283400
                   +0 :              -0.00001534333427
                   +1 :              -0.00000137338635
                   +2 :              -0.00003071917959
             14 vec=     2.384101     16.591055      2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00000936187800
                2p
                   -1 :               0.00000620645889
                   +0 :              -0.00001065497714
                   +1 :               0.00001207501945
                3s
                   +0 :               0.00004452134613
                4s
                   +0 :               0.00000650462594
                3p
                   -1 :              -0.00004742844538
                   +0 :              -0.00000704214593
                   +1 :              -0.00004529814525
                4p
                   -1 :               0.00001800603240
                   +0 :               0.00001639693581
                   +1 :               0.00000229727522
                3d
                   -2 :              -0.00002791511724
                   -1 :               0.00000158182569
                   +0 :               0.00000959770988
                   +1 :              -0.00000114794377
                   +2 :               0.00000673568242
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 13)  npairs=  14
              1 vec=     2.174555      1.739106     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00235812161420
                2s
                   +0 :              -0.07957538582217
                3s
                   +0 :               0.00410532144898
                2p
                   -1 :              -0.02469860582622
                   +0 :               0.04526649002748
                   +1 :              -0.02656027458896
                3p
                   -1 :               0.00278548632803
                   +0 :              -0.00626339377930
                   +1 :               0.00289119498214
                3d
                   -2 :              -0.00210140262663
                   -1 :               0.00094311389980
                   +0 :              -0.00081356008454
                   +1 :               0.00120028871182
                   +2 :              -0.00042949128990
              2 vec=    -5.605607     -2.752773     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00038854105012
                2s
                   +0 :              -0.00297684351056
                3s
                   +0 :               0.00143873394740
                2p
                   -1 :               0.00296258471101
                   +0 :               0.00190747211562
                   +1 :               0.00198170824749
                3p
                   -1 :              -0.00212761980669
                   +0 :              -0.00083671201830
                   +1 :              -0.00057800828536
                3d
                   -2 :               0.00015574061833
                   -1 :               0.00010421056391
                   +0 :              -0.00040300313450
                   +1 :               0.00008405538044
                   +2 :               0.00019920920922
              3 vec=     2.174555     -7.244652     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00035786213273
                2s
                   +0 :              -0.00190240757267
                3s
                   +0 :               0.00099491836676
                2p
                   -1 :               0.00171394180962
                   +0 :              -0.00359306683496
                   +1 :              -0.00162703287226
                3p
                   -1 :              -0.00197648157044
                   +0 :               0.00080086795780
                   +1 :              -0.00002476103603
                3d
                   -2 :               0.00012777001317
                   -1 :               0.00026089125205
                   +0 :              -0.00004815737623
                   +1 :              -0.00010673841893
                   +2 :              -0.00018116521745
              4 vec=    -5.605607      6.230985     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00024297680860
                2s
                   +0 :              -0.00168550394612
                3s
                   +0 :               0.00052354556408
                2p
                   -1 :              -0.00194193765335
                   +0 :               0.00006286663588
                   +1 :               0.00132524565547
                3p
                   -1 :               0.00025134370294
                   +0 :              -0.00109012369868
                   +1 :              -0.00087839948046
                3d
                   -2 :               0.00003782775189
                   -1 :              -0.00011200550210
                   +0 :              -0.00001499703646
                   +1 :               0.00008918258365
                   +2 :               0.00006658576728
              5 vec=     9.954718     -2.752773     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00015953155625
                2s
                   +0 :               0.00060679467953
                3s
                   +0 :              -0.00028564463766
                2p
                   -1 :              -0.00057992576186
                   +0 :               0.00042248211349
                   +1 :              -0.00124623703913
                3p
                   -1 :               0.00045303517162
                   +0 :              -0.00058388900299
                   +1 :               0.00111296892078
                3d
                   -2 :              -0.00000130008653
                   -1 :              -0.00005045066085
                   +0 :              -0.00003581950504
                   +1 :              -0.00000374348454
                   +2 :               0.00014198689604
              6 vec=     2.174555     10.722864     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00007136929188
                2s
                   +0 :              -0.00039448864570
                3s
                   +0 :               0.00010982324986
                2p
                   -1 :              -0.00069970179697
                   +0 :               0.00023545519663
                   +1 :               0.00016695515874
                3p
                   -1 :               0.00066741402690
                   +0 :              -0.00031427623609
                   +1 :              -0.00011298023132
                3d
                   -2 :               0.00002023606044
                   -1 :               0.00003275712235
                   +0 :               0.00000177270551
                   +1 :              -0.00000208969458
                   +2 :              -0.00001388682715
              7 vec=     9.954718      6.230985     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001944195752
                2s
                   +0 :              -0.00028972470545
                3s
                   +0 :               0.00004892369099
                2p
                   -1 :               0.00015700236052
                   +0 :               0.00006822824175
                   +1 :              -0.00040662852094
                3p
                   -1 :               0.00000144577481
                   +0 :               0.00004054404202
                   +1 :               0.00027704286322
                3d
                   -2 :               0.00001559009719
                   -1 :              -0.00000899500283
                   +0 :              -0.00001578794189
                   +1 :              -0.00000556970905
                   +2 :              -0.00000160593406
              8 vec=    -5.605607    -11.736531     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00001534538109
                2s
                   +0 :              -0.00010222913635
                3s
                   +0 :              -0.00020155716887
                2p
                   -1 :              -0.00012022135425
                   +0 :               0.00010698009585
                   +1 :               0.00032713373404
                3p
                   -1 :               0.00046255611355
                   +0 :               0.00007885442608
                   +1 :              -0.00007948471984
                3d
                   -2 :              -0.00003484781882
                   -1 :              -0.00002750859839
                   +0 :               0.00000920313914
                   +1 :              -0.00000883661239
                   +2 :               0.00003641937030
              9 vec=   -13.385770      1.739106     -4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00001627320530
                2s
                   +0 :              -0.00021672406569
                3s
                   +0 :              -0.00001370166163
                2p
                   -1 :               0.00012955149388
                   +0 :               0.00002179927303
                   +1 :               0.00006062002228
                3p
                   -1 :              -0.00012840193032
                   +0 :              -0.00000460860338
                   +1 :               0.00019320664582
                3d
                   -2 :               0.00000413007576
                   -1 :              -0.00001367624601
                   +0 :               0.00002851795903
                   +1 :              -0.00000800677945
                   +2 :              -0.00002668305846
             10 vec=   -13.385770     -7.244652     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000164780171
                2s
                   +0 :              -0.00008147245683
                3s
                   +0 :              -0.00000909711174
                2p
                   -1 :               0.00005559697360
                   +0 :               0.00001635940571
                   +1 :               0.00003600660306
                3p
                   -1 :              -0.00004382000707
                   +0 :              -0.00001313343404
                   +1 :               0.00006511304690
                3d
                   -2 :               0.00000377197487
                   -1 :               0.00000122372033
                   +0 :              -0.00000013468826
                   +1 :               0.00000436736043
                   +2 :              -0.00000434368417
             11 vec=     9.954718    -11.736531     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00006210710480
                2s
                   +0 :              -0.00039338666459
                3s
                   +0 :               0.00016745725072
                2p
                   -1 :               0.00010983207686
                   +0 :               0.00016895757644
                   +1 :              -0.00008312146352
                3p
                   -1 :              -0.00005868210239
                   +0 :              -0.00014820856705
                   +1 :               0.00003941882786
                3d
                   -2 :              -0.00000369626957
                   -1 :               0.00002076639757
                   +0 :               0.00001315469054
                   +1 :              -0.00001116150598
                   +2 :              -0.00000585853466
             12 vec=    -5.605607     15.214743     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00002710861462
                2s
                   +0 :               0.00017382527652
                3s
                   +0 :              -0.00009248225319
                2p
                   -1 :               0.00005144297685
                   +0 :              -0.00007827103152
                   +1 :              -0.00004554258760
                3p
                   -1 :              -0.00004500358769
                   +0 :               0.00004595929288
                   +1 :               0.00001616882394
                3d
                   -2 :               0.00000430520773
                   -1 :               0.00000354159814
                   +0 :               0.00000072710408
                   +1 :               0.00000118066935
                   +2 :              -0.00000185952400
             13 vec=     2.174555    -16.228410     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000404488718
                2s
                   +0 :               0.00004811324551
                3s
                   +0 :              -0.00001558407855
                2p
                   -1 :              -0.00003332021723
                   +0 :               0.00001831828718
                   +1 :               0.00004225647825
                3p
                   -1 :               0.00005340304572
                   +0 :               0.00001171903822
                   +1 :              -0.00002799780586
                3d
                   -2 :               0.00000001098219
                   -1 :              -0.00000684353380
                   +0 :              -0.00000032942232
                   +1 :              -0.00000010628146
                   +2 :               0.00000634571984
             14 vec=   -13.385770     10.722864     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000639816037
                2s
                   +0 :              -0.00004700930370
                3s
                   +0 :               0.00001262994916
                2p
                   -1 :              -0.00001832342550
                   +0 :              -0.00000847362679
                   +1 :               0.00004212151557
                3p
                   -1 :               0.00001355093309
                   +0 :               0.00000152786909
                   +1 :              -0.00002228828512
                3d
                   -2 :              -0.00000437987847
                   -1 :              -0.00000056704371
                   +0 :               0.00000063395588
                   +1 :              -0.00000042814017
                   +2 :              -0.00000428016219
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 14)  npairs=  14
              1 vec=    -2.593128      1.739106     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00229347022748
                2s
                   +0 :              -0.05256942245259
                3s
                   +0 :               0.00336944980070
                2p
                   -1 :              -0.01754062350494
                   +0 :               0.02622021449024
                   +1 :               0.01807701807326
                3p
                   -1 :               0.00382165062631
                   +0 :              -0.00086608877637
                   +1 :               0.00110176783469
                3d
                   -2 :               0.00124573407183
                   -1 :               0.00206817650127
                   +0 :              -0.00084781268278
                   +1 :              -0.00197372260593
                   +2 :              -0.00020849473221
              2 vec=     5.187034     -2.752773     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00222693022396
                2s
                   +0 :              -0.01578475392246
                3s
                   +0 :               0.00741603447339
                2p
                   -1 :               0.00598274591356
                   +0 :               0.00631641596576
                   +1 :              -0.01420197451408
                3p
                   -1 :              -0.00465207985027
                   +0 :              -0.00497471990200
                   +1 :               0.00991677269990
                3d
                   -2 :              -0.00064462326382
                   -1 :               0.00028512127876
                   +0 :              -0.00038829985652
                   +1 :              -0.00050145453117
                   +2 :               0.00048383672603
              3 vec=    -2.593128     -7.244652     -4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00014949641529
                2s
                   +0 :              -0.00125300099620
                3s
                   +0 :              -0.00007259445128
                2p
                   -1 :               0.00243566460215
                   +0 :              -0.00217527640276
                   +1 :               0.00292164911251
                3p
                   -1 :              -0.00104570241737
                   +0 :               0.00035938883687
                   +1 :              -0.00135005779294
                3d
                   -2 :              -0.00001310867650
                   -1 :               0.00014833199899
                   +0 :               0.00001667446834
                   +1 :               0.00008459647651
                   +2 :              -0.00000265725073
              4 vec=     5.187034      6.230985     -4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00009430746504
                2s
                   +0 :              -0.00067375004607
                3s
                   +0 :              -0.00000360003980
                2p
                   -1 :              -0.00235187921047
                   +0 :              -0.00222800513267
                   +1 :               0.00033833057087
                3p
                   -1 :              -0.00010754011524
                   +0 :               0.00069221386363
                   +1 :              -0.00108666091509
                3d
                   -2 :              -0.00018849317884
                   -1 :              -0.00004245695945
                   +0 :               0.00012434908073
                   +1 :              -0.00005007514879
                   +2 :               0.00002064537498
              5 vec=   -10.373291     -2.752773     -4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00007486075560
                2s
                   +0 :              -0.00079091825704
                3s
                   +0 :               0.00028636825314
                2p
                   -1 :              -0.00038450190060
                   +0 :              -0.00033539916199
                   +1 :               0.00065384119822
                3p
                   -1 :               0.00043635398879
                   +0 :               0.00023061617159
                   +1 :              -0.00048708609044
                3d
                   -2 :              -0.00000655834090
                   -1 :              -0.00004072299300
                   +0 :              -0.00003165355622
                   +1 :               0.00002005172171
                   +2 :               0.00006307481722
              6 vec=    -2.593128     10.722864     -4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00010817424635
                2s
                   +0 :              -0.00066992096727
                3s
                   +0 :               0.00034262169398
                2p
                   -1 :              -0.00089255586687
                   +0 :              -0.00037711041535
                   +1 :              -0.00042670305599
                3p
                   -1 :               0.00083014086651
                   +0 :               0.00020867250091
                   +1 :               0.00032740134848
                3d
                   -2 :              -0.00004077010875
                   -1 :              -0.00001013172198
                   +0 :              -0.00004269716819
                   +1 :              -0.00001097078298
                   +2 :              -0.00007019619711
              7 vec=   -10.373291      6.230985     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00000803764522
                2s
                   +0 :              -0.00019397606918
                3s
                   +0 :               0.00001907527293
                2p
                   -1 :               0.00010545523002
                   +0 :               0.00020778284191
                   +1 :              -0.00003838433119
                3p
                   -1 :              -0.00011874776510
                   +0 :              -0.00007267542650
                   +1 :               0.00011658193349
                3d
                   -2 :              -0.00000676366391
                   -1 :               0.00000064847412
                   +0 :               0.00000078704477
                   +1 :               0.00002126769072
                   +2 :               0.00003716601614
              8 vec=     5.187034    -11.736531     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00002872978234
                2s
                   +0 :              -0.00040940869910
                3s
                   +0 :              -0.00003117515681
                2p
                   -1 :               0.00015210557392
                   +0 :               0.00019943086891
                   +1 :               0.00001702287424
                3p
                   -1 :               0.00014115054756
                   +0 :              -0.00008020425699
                   +1 :              -0.00011458707566
                3d
                   -2 :               0.00003701116535
                   -1 :               0.00000621678454
                   +0 :               0.00002212942946
                   +1 :              -0.00000597603895
                   +2 :               0.00002599587425
              9 vec=    12.967197      1.739106     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00001064220684
                2s
                   +0 :              -0.00002456859618
                3s
                   +0 :              -0.00005252105858
                2p
                   -1 :              -0.00018180821292
                   +0 :              -0.00019547572573
                   +1 :               0.00001941277536
                3p
                   -1 :               0.00012061576626
                   +0 :               0.00017061868810
                   +1 :              -0.00012128677432
                3d
                   -2 :              -0.00000811712920
                   -1 :              -0.00000177794972
                   +0 :               0.00001214215433
                   +1 :               0.00000277290627
                   +2 :               0.00001138613803
             10 vec=    12.967197     -7.244652     -4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00003912452676
                2s
                   +0 :              -0.00026139071827
                3s
                   +0 :               0.00005558663502
                2p
                   -1 :              -0.00000140931887
                   +0 :               0.00008851793530
                   +1 :              -0.00026390845575
                3p
                   -1 :               0.00000463598766
                   +0 :              -0.00009122421404
                   +1 :               0.00013644725954
                3d
                   -2 :               0.00000423433820
                   -1 :               0.00000229465484
                   +0 :               0.00000454946458
                   +1 :              -0.00000835672628
                   +2 :              -0.00001202012839
             11 vec=   -10.373291    -11.736531     -4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00000449904786
                2s
                   +0 :              -0.00003602632923
                3s
                   +0 :              -0.00002247658051
                2p
                   -1 :              -0.00000124005107
                   +0 :               0.00000816717924
                   +1 :              -0.00005077310632
                3p
                   -1 :               0.00003628370832
                   +0 :              -0.00000363009418
                   +1 :               0.00007465550952
                3d
                   -2 :               0.00000228424328
                   -1 :               0.00000113715530
                   +0 :               0.00001224660868
                   +1 :              -0.00000640643004
                   +2 :              -0.00000583402032
             12 vec=     5.187034     15.214743     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00001428062415
                2s
                   +0 :               0.00009160493637
                3s
                   +0 :              -0.00004604342161
                2p
                   -1 :               0.00009934079786
                   +0 :               0.00002232442889
                   +1 :               0.00012052854568
                3p
                   -1 :              -0.00007584233770
                   +0 :              -0.00005414182796
                   +1 :              -0.00009037406030
                3d
                   -2 :              -0.00000647075926
                   -1 :              -0.00000205000936
                   +0 :               0.00000551230581
                   +1 :               0.00000101035892
                   +2 :               0.00000004110958
             13 vec=    -2.593128    -16.228410     -4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000933120623
                2s
                   +0 :               0.00009210191237
                3s
                   +0 :              -0.00000618105387
                2p
                   -1 :              -0.00002405305190
                   +0 :              -0.00002946781075
                   +1 :              -0.00001565044357
                3p
                   -1 :              -0.00000299919536
                   +0 :               0.00007988694051
                   +1 :               0.00001727810831
                3d
                   -2 :              -0.00000497793037
                   -1 :              -0.00000620927318
                   +0 :               0.00000010499723
                   +1 :               0.00001221331194
                   +2 :              -0.00000285752620
             14 vec=    12.967197     10.722864     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000190232152
                2s
                   +0 :               0.00001381901927
                3s
                   +0 :              -0.00000654248263
                2p
                   -1 :               0.00005377382698
                   +0 :               0.00001743112502
                   +1 :              -0.00002787958155
                3p
                   -1 :              -0.00002182101417
                   +0 :              -0.00003827489867
                   +1 :               0.00001070958970
                3d
                   -2 :              -0.00000035480835
                   -1 :               0.00000083725107
                   +0 :               0.00000446824675
                   +1 :               0.00000014279215
                   +2 :               0.00000023901729
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 15)  npairs=  14
              1 vec=    -0.209286     -3.115717     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00162265379387
                2s
                   +0 :              -0.05298609055839
                3s
                   +0 :               0.00250562032647
                2p
                   -1 :               0.02975465229457
                   +0 :               0.02802058691381
                   +1 :              -0.00220978633795
                3p
                   -1 :               0.00018921649540
                   +0 :               0.00237714314749
                   +1 :               0.00475132378445
                3d
                   -2 :              -0.00007013623968
                   -1 :              -0.00253140397897
                   +0 :              -0.00132275363363
                   +1 :               0.00039284271929
                   +2 :               0.00078823428092
              2 vec=    -0.209286      5.868041     -4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00023490915620
                2s
                   +0 :               0.00183232949997
                3s
                   +0 :              -0.00103914514678
                2p
                   -1 :               0.00114732806850
                   +0 :               0.00259910485545
                   +1 :              -0.00121847694259
                3p
                   -1 :              -0.00182949325201
                   +0 :              -0.00193445346464
                   +1 :               0.00100627329879
                3d
                   -2 :               0.00003928029888
                   -1 :              -0.00027638787010
                   +0 :               0.00032273556917
                   +1 :              -0.00004080786382
                   +2 :               0.00003446990143
              3 vec=     7.570876      1.376162     -4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00024152709013
                2s
                   +0 :               0.00240927810486
                3s
                   +0 :              -0.00097014707061
                2p
                   -1 :               0.00308719601604
                   +0 :              -0.00329443135070
                   +1 :               0.00046948584675
                3p
                   -1 :              -0.00152183655339
                   +0 :               0.00047878906437
                   +1 :              -0.00080851786238
                3d
                   -2 :               0.00002260395105
                   -1 :               0.00011915113920
                   +0 :               0.00004809813369
                   +1 :              -0.00015340068838
                   +2 :              -0.00007775008954
              4 vec=    -7.989449      1.376162     -4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00011208114455
                2s
                   +0 :               0.00034956408141
                3s
                   +0 :              -0.00058722244307
                2p
                   -1 :              -0.00106849904005
                   +0 :              -0.00097055424591
                   +1 :               0.00271313323586
                3p
                   -1 :               0.00154491429023
                   +0 :              -0.00021950922586
                   +1 :              -0.00119461218282
                3d
                   -2 :              -0.00013276146888
                   -1 :              -0.00000985483496
                   +0 :              -0.00001842590229
                   +1 :               0.00018108230977
                   +2 :              -0.00006936492272
              5 vec=     7.570876     -7.607596     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00022277998020
                2s
                   +0 :               0.00117224781036
                3s
                   +0 :              -0.00080195474136
                2p
                   -1 :              -0.00119948812790
                   +0 :               0.00063510883399
                   +1 :               0.00019201522283
                3p
                   -1 :               0.00116604150766
                   +0 :              -0.00059408339462
                   +1 :              -0.00029320110206
                3d
                   -2 :               0.00003487146083
                   -1 :               0.00002437519646
                   +0 :               0.00004033874101
                   +1 :              -0.00001042340581
                   +2 :               0.00006958268927
              6 vec=    -7.989449     -7.607596     -4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00000848600779
                2s
                   +0 :              -0.00023483206774
                3s
                   +0 :              -0.00014266915071
                2p
                   -1 :               0.00025157747330
                   +0 :              -0.00010428636695
                   +1 :               0.00025918860370
                3p
                   -1 :              -0.00009933222797
                   +0 :               0.00006269848727
                   +1 :               0.00003198695995
                3d
                   -2 :              -0.00001025741030
                   -1 :              -0.00000077991173
                   +0 :               0.00002477611277
                   +1 :              -0.00000078241565
                   +2 :              -0.00000234014202
              7 vec=    -0.209286    -12.099475     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00002676045315
                2s
                   +0 :               0.00007721299547
                3s
                   +0 :              -0.00013393932019
                2p
                   -1 :              -0.00010005404709
                   +0 :               0.00016007051862
                   +1 :              -0.00021500241878
                3p
                   -1 :               0.00023250497033
                   +0 :               0.00009732747205
                   +1 :               0.00008963175376
                3d
                   -2 :              -0.00000447888646
                   -1 :              -0.00000741529062
                   +0 :               0.00005015502048
                   +1 :               0.00002354848360
                   +2 :               0.00000598501605
              8 vec=     7.570876     10.359920     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00003946722834
                2s
                   +0 :              -0.00052523578949
                3s
                   +0 :               0.00008508974028
                2p
                   -1 :              -0.00049100658459
                   +0 :              -0.00003161402812
                   +1 :              -0.00030145904834
                3p
                   -1 :               0.00014326564042
                   +0 :               0.00002935115214
                   +1 :               0.00011408173399
                3d
                   -2 :              -0.00002004593590
                   -1 :               0.00002035030257
                   +0 :               0.00000852450586
                   +1 :               0.00000775526947
                   +2 :              -0.00002279064224
              9 vec=    -7.989449     10.359920     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00001685178386
                2s
                   +0 :              -0.00011615170099
                3s
                   +0 :              -0.00010162869419
                2p
                   -1 :              -0.00040886214314
                   +0 :               0.00007344531124
                   +1 :               0.00019616245569
                3p
                   -1 :               0.00012611398746
                   +0 :              -0.00004212177624
                   +1 :              -0.00009735621027
                3d
                   -2 :               0.00001033141483
                   -1 :              -0.00000301233079
                   +0 :               0.00000257948178
                   +1 :               0.00001348641087
                   +2 :               0.00000145722670
             10 vec=    -0.209286     14.851799     -4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00004875045168
                2s
                   +0 :               0.00031577375959
                3s
                   +0 :              -0.00010076426263
                2p
                   -1 :               0.00009983511797
                   +0 :               0.00001384595329
                   +1 :               0.00000536019226
                3p
                   -1 :              -0.00002821862924
                   +0 :               0.00004015920147
                   +1 :              -0.00002323056561
                3d
                   -2 :              -0.00000391842898
                   -1 :               0.00002033182130
                   +0 :               0.00000065923496
                   +1 :               0.00000356814870
                   +2 :              -0.00000500535794
             11 vec=    15.351039     -3.115717     -4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000461915347
                2s
                   +0 :               0.00003654295730
                3s
                   +0 :              -0.00005997148962
                2p
                   -1 :               0.00013974978472
                   +0 :              -0.00005719116324
                   +1 :               0.00021892177350
                3p
                   -1 :              -0.00014398468312
                   +0 :               0.00002666433131
                   +1 :              -0.00022701082451
                3d
                   -2 :              -0.00000719689363
                   -1 :              -0.00000631856081
                   +0 :               0.00000544438921
                   +1 :               0.00000492962789
                   +2 :              -0.00002891303902
             12 vec=   -15.769612     -3.115717     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00000329737428
                2s
                   +0 :              -0.00000054528487
                3s
                   +0 :              -0.00002202388192
                2p
                   -1 :              -0.00008250149009
                   +0 :              -0.00007432483927
                   +1 :              -0.00011760031739
                3p
                   -1 :               0.00006020067560
                   +0 :               0.00004233215250
                   +1 :               0.00012290145375
                3d
                   -2 :              -0.00000298634234
                   -1 :              -0.00000078965479
                   +0 :               0.00000478805787
                   +1 :              -0.00000211271589
                   +2 :              -0.00000509503626
             13 vec=    15.351039      5.868041     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00001897666243
                2s
                   +0 :              -0.00012808982580
                3s
                   +0 :               0.00006197771206
                2p
                   -1 :              -0.00008975842053
                   +0 :               0.00001000699918
                   +1 :               0.00000741153509
                3p
                   -1 :               0.00005689109488
                   +0 :              -0.00003775066634
                   +1 :              -0.00002387325241
                3d
                   -2 :               0.00000781182487
                   -1 :              -0.00001011611789
                   +0 :               0.00000377615706
                   +1 :              -0.00000230741421
                   +2 :              -0.00000213869376
             14 vec=   -15.769612      5.868041     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000135497632
                2s
                   +0 :              -0.00003927826320
                3s
                   +0 :              -0.00000354141767
                2p
                   -1 :              -0.00010633542144
                   +0 :              -0.00008197406430
                   +1 :              -0.00001011561938
                3p
                   -1 :               0.00006447170499
                   +0 :               0.00004280878009
                   +1 :               0.00002574664847
                3d
                   -2 :               0.00000212230103
                   -1 :              -0.00000176584916
                   +0 :              -0.00000282238844
                   +1 :              -0.00000077402130
                   +2 :              -0.00000378102282
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 16)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00018237536482
                2s
                   +0 :               0.00157206202437
                3s
                   +0 :               0.00012936045236
                2p
                   -1 :               0.00042735476366
                   +0 :               0.00057873719615
                   +1 :               0.00217920417806
                3p
                   -1 :               0.00110837486978
                   +0 :               0.00102656392725
                   +1 :              -0.00124532783085
                3d
                   -2 :               0.00002301025799
                   -1 :               0.00023659136215
                   +0 :               0.00004547736967
                   +1 :               0.00003737315935
                   +2 :              -0.00003898460344
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00057524696154
                2s
                   +0 :               0.00558155082045
                3s
                   +0 :              -0.00087314336739
                2p
                   -1 :              -0.00158286063540
                   +0 :               0.00742318777077
                   +1 :              -0.00416202872138
                3p
                   -1 :               0.00001893998672
                   +0 :              -0.00137955403462
                   +1 :               0.00086030368418
                3d
                   -2 :               0.00013092039672
                   -1 :              -0.00016445219672
                   +0 :               0.00019069320001
                   +1 :              -0.00025560041900
                   +2 :               0.00014187611462
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00033358840462
                2s
                   +0 :               0.00331081257155
                3s
                   +0 :              -0.00056086979681
                2p
                   -1 :              -0.00210923523176
                   +0 :               0.00245622532313
                   +1 :               0.00132104133450
                3p
                   -1 :              -0.00010234485661
                   +0 :              -0.00050550367016
                   +1 :               0.00015693203514
                3d
                   -2 :              -0.00010919659428
                   -1 :              -0.00015060151624
                   +0 :               0.00000073160460
                   +1 :               0.00011405099665
                   +2 :              -0.00002391213874
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001337179998
                2s
                   +0 :               0.00040891675665
                3s
                   +0 :              -0.00004633457227
                2p
                   -1 :               0.00033780124240
                   +0 :              -0.00040367597299
                   +1 :              -0.00022218185208
                3p
                   -1 :              -0.00018504584749
                   +0 :               0.00015654422660
                   +1 :              -0.00003068801681
                3d
                   -2 :              -0.00000213769332
                   -1 :              -0.00002296261612
                   +0 :              -0.00003445794222
                   +1 :               0.00000823066478
                   +2 :               0.00003017689232
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000419793649
                2s
                   +0 :               0.00013521615807
                3s
                   +0 :               0.00006659571042
                2p
                   -1 :               0.00003557177254
                   +0 :              -0.00040832996240
                   +1 :               0.00033544028842
                3p
                   -1 :              -0.00006007665699
                   +0 :               0.00036980187936
                   +1 :              -0.00017503435276
                3d
                   -2 :              -0.00000970881326
                   -1 :               0.00001553691453
                   +0 :               0.00003134745874
                   +1 :              -0.00001683518404
                   +2 :               0.00000242152595
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001119764480
                2s
                   +0 :               0.00006374800471
                3s
                   +0 :               0.00002149669265
                2p
                   -1 :              -0.00008937352872
                   +0 :              -0.00039120223998
                   +1 :               0.00054120015456
                3p
                   -1 :              -0.00007694219087
                   +0 :               0.00018219776375
                   +1 :              -0.00056926450144
                3d
                   -2 :               0.00003521714163
                   -1 :               0.00000837310073
                   +0 :               0.00002834462939
                   +1 :              -0.00003230165405
                   +2 :               0.00001198660872
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000313771255
                2s
                   +0 :               0.00007045880743
                3s
                   +0 :              -0.00000316808521
                2p
                   -1 :               0.00022929573521
                   +0 :               0.00001560646111
                   +1 :              -0.00007082679910
                3p
                   -1 :              -0.00015500701974
                   +0 :               0.00000398948705
                   +1 :               0.00003199612360
                3d
                   -2 :               0.00000389457637
                   -1 :              -0.00000032885542
                   +0 :              -0.00000080789482
                   +1 :              -0.00000308610984
                   +2 :               0.00000558365748
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001858073286
                2s
                   +0 :               0.00019444639007
                3s
                   +0 :              -0.00005788393044
                2p
                   -1 :               0.00016958305778
                   +0 :               0.00015544074617
                   +1 :               0.00005314675605
                3p
                   -1 :              -0.00006459513767
                   +0 :              -0.00011320506631
                   +1 :              -0.00010589249861
                3d
                   -2 :              -0.00001479772786
                   -1 :              -0.00001919021922
                   +0 :              -0.00000725555735
                   +1 :               0.00000790586919
                   +2 :               0.00001723788630
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000395812044
                2s
                   +0 :              -0.00004199067929
                3s
                   +0 :               0.00003149510659
                2p
                   -1 :              -0.00007271854488
                   +0 :              -0.00008320270688
                   +1 :              -0.00005811112133
                3p
                   -1 :               0.00001976359237
                   +0 :               0.00005499723909
                   +1 :               0.00002625492395
                3d
                   -2 :               0.00000311217580
                   -1 :              -0.00000340229993
                   +0 :               0.00001061597188
                   +1 :               0.00000192265991
                   +2 :               0.00000251319696
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000109796164
                2s
                   +0 :              -0.00001897054845
                3s
                   +0 :              -0.00000563283912
                2p
                   -1 :              -0.00008349724366
                   +0 :              -0.00003737421601
                   +1 :               0.00007641830982
                3p
                   -1 :               0.00005222721290
                   +0 :               0.00000651055849
                   +1 :              -0.00006267111017
                3d
                   -2 :               0.00000037860106
                   -1 :               0.00000440598900
                   +0 :              -0.00000228145488
                   +1 :              -0.00000285445654
                   +2 :              -0.00000083040176
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000915818684
                2s
                   +0 :              -0.00000515911175
                3s
                   +0 :               0.00002396584289
                2p
                   -1 :              -0.00004511988152
                   +0 :               0.00010150596985
                   +1 :              -0.00003629538415
                3p
                   -1 :               0.00003604682964
                   +0 :              -0.00007387931756
                   +1 :               0.00007391150583
                3d
                   -2 :              -0.00000201907785
                   -1 :               0.00000098493947
                   +0 :              -0.00000028453444
                   +1 :              -0.00000743898526
                   +2 :              -0.00000098205820
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00002791966684
                2s
                   +0 :              -0.00014960076835
                3s
                   +0 :               0.00011466094574
                2p
                   -1 :               0.00012526629654
                   +0 :              -0.00000465276302
                   +1 :              -0.00018263810740
                3p
                   -1 :              -0.00008527907821
                   +0 :               0.00001637182014
                   +1 :               0.00023264097019
                3d
                   -2 :               0.00000035616366
                   -1 :               0.00000537504927
                   +0 :              -0.00002488220756
                   +1 :               0.00001472875553
                   +2 :               0.00001845355114
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000506109883
                2s
                   +0 :              -0.00006143578854
                3s
                   +0 :              -0.00002398337618
                2p
                   -1 :               0.00004694221671
                   +0 :               0.00003226477745
                   +1 :              -0.00006493955550
                3p
                   -1 :              -0.00003792620422
                   +0 :               0.00006508244980
                   +1 :               0.00009732220839
                3d
                   -2 :               0.00000121670390
                   -1 :              -0.00000279587850
                   +0 :               0.00000137968485
                   +1 :              -0.00000827518735
                   +2 :               0.00000030086011
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003418318535
                2s
                   +0 :              -0.00027108295332
                3s
                   +0 :               0.00007765103126
                2p
                   -1 :              -0.00000414919855
                   +0 :               0.00011487750834
                   +1 :              -0.00010202800588
                3p
                   -1 :               0.00005601027793
                   +0 :              -0.00002243493948
                   +1 :               0.00002716787541
                3d
                   -2 :               0.00000228674534
                   -1 :              -0.00000729470371
                   +0 :               0.00000648675701
                   +1 :               0.00000298457306
                   +2 :              -0.00000151862698
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00002583027844
                2s
                   +0 :              -0.00030717363282
                3s
                   +0 :               0.00002580050984
                2p
                   -1 :              -0.00018871880689
                   +0 :               0.00024321897358
                   +1 :               0.00004905344400
                3p
                   -1 :               0.00008400196902
                   +0 :              -0.00004908449191
                   +1 :              -0.00006855014300
                3d
                   -2 :               0.00000124980466
                   -1 :               0.00000781935936
                   +0 :               0.00000082844914
                   +1 :               0.00000453885188
                   +2 :              -0.00000011148187
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 17)  npairs=  15
              1 vec=     2.174555      4.491729      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00029905288926
                2s
                   +0 :               0.00347090144694
                3s
                   +0 :              -0.00016137898379
                2p
                   -1 :               0.00284345715852
                   +0 :               0.00360452920965
                   +1 :              -0.00354778315232
                3p
                   -1 :              -0.00012071320803
                   +0 :              -0.00033572832590
                   +1 :               0.00175047249407
                3d
                   -2 :              -0.00009384660552
                   -1 :               0.00011403447367
                   +0 :               0.00002464358770
                   +1 :               0.00005906983324
                   +2 :              -0.00001180931428
              2 vec=     2.174555     -4.492029      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00033164251799
                2s
                   +0 :               0.00254901584271
                3s
                   +0 :              -0.00034891066816
                2p
                   -1 :              -0.00083658424135
                   +0 :               0.00348943609815
                   +1 :               0.00106018946295
                3p
                   -1 :               0.00013700958253
                   +0 :              -0.00056596746646
                   +1 :               0.00137665447362
                3d
                   -2 :              -0.00012865306987
                   -1 :              -0.00004019199256
                   +0 :               0.00013834954504
                   +1 :               0.00034757082210
                   +2 :               0.00011865896090
              3 vec=    -5.605607     -0.000150      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00029395786431
                2s
                   +0 :               0.00282493102152
                3s
                   +0 :              -0.00005576158569
                2p
                   -1 :              -0.00176932496950
                   +0 :               0.00141024973319
                   +1 :              -0.00212503020538
                3p
                   -1 :               0.00038202752449
                   +0 :               0.00101685313020
                   +1 :               0.00016363580346
                3d
                   -2 :               0.00007443933522
                   -1 :              -0.00019337175003
                   +0 :               0.00012474486277
                   +1 :              -0.00005312496458
                   +2 :              -0.00002074091806
              4 vec=     9.954718     -0.000150      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00012086117346
                2s
                   +0 :               0.00103446935531
                3s
                   +0 :              -0.00047389160150
                2p
                   -1 :               0.00002934665722
                   +0 :              -0.00016778421423
                   +1 :               0.00064322920659
                3p
                   -1 :               0.00024006972846
                   +0 :              -0.00005583908737
                   +1 :              -0.00047657061271
                3d
                   -2 :               0.00004376703878
                   -1 :               0.00003506235869
                   +0 :               0.00000113225297
                   +1 :              -0.00006898447471
                   +2 :              -0.00003235383994
              5 vec=    -5.605607      8.983608      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00001259307649
                2s
                   +0 :               0.00021561262804
                3s
                   +0 :              -0.00001343831582
                2p
                   -1 :              -0.00009046646562
                   +0 :              -0.00024302170042
                   +1 :              -0.00025212127830
                3p
                   -1 :               0.00010748266719
                   +0 :               0.00020194934781
                   +1 :               0.00012793727717
                3d
                   -2 :               0.00002058421426
                   -1 :              -0.00000823383460
                   +0 :               0.00004106978889
                   +1 :              -0.00000167693548
                   +2 :              -0.00000996451515
              6 vec=    -5.605607     -8.983908      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00004486001661
                2s
                   +0 :               0.00057017893754
                3s
                   +0 :              -0.00007383903846
                2p
                   -1 :              -0.00028974305124
                   +0 :              -0.00000437622093
                   +1 :              -0.00005354494501
                3p
                   -1 :              -0.00004704179922
                   +0 :              -0.00005743841638
                   +1 :              -0.00003171909978
                3d
                   -2 :               0.00000949542690
                   -1 :              -0.00000280425616
                   +0 :              -0.00001216742506
                   +1 :               0.00002406527192
                   +2 :              -0.00000999313984
              7 vec=     9.954718      8.983608      8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00001082194606
                2s
                   +0 :               0.00013871934007
                3s
                   +0 :              -0.00002032508787
                2p
                   -1 :               0.00017966253480
                   +0 :               0.00011082394917
                   +1 :               0.00017082937829
                3p
                   -1 :              -0.00008522858585
                   +0 :              -0.00005821055954
                   +1 :              -0.00009192520524
                3d
                   -2 :              -0.00000431828749
                   -1 :              -0.00000404075672
                   +0 :              -0.00001039847417
                   +1 :               0.00000349544545
                   +2 :              -0.00000239609900
              8 vec=     9.954718     -8.983908      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00003387004616
                2s
                   +0 :              -0.00020405931571
                3s
                   +0 :               0.00015259949822
                2p
                   -1 :               0.00002391768931
                   +0 :              -0.00012496435911
                   +1 :              -0.00028716249026
                3p
                   -1 :              -0.00010824532205
                   +0 :               0.00013538484222
                   +1 :               0.00025330919978
                3d
                   -2 :              -0.00000140744574
                   -1 :              -0.00001220281992
                   +0 :               0.00000388833272
                   +1 :               0.00001049060325
                   +2 :              -0.00001117649397
              9 vec=     2.174555     13.475487      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00001890171122
                2s
                   +0 :              -0.00008543271735
                3s
                   +0 :               0.00008760987899
                2p
                   -1 :               0.00002347136328
                   +0 :               0.00009691619324
                   +1 :               0.00001978969785
                3p
                   -1 :               0.00003421507913
                   +0 :              -0.00006901072571
                   +1 :               0.00004972961431
                3d
                   -2 :               0.00000722231132
                   -1 :              -0.00001199965554
                   +0 :               0.00000370029274
                   +1 :              -0.00000376063666
                   +2 :              -0.00000258971871
             10 vec=     2.174555    -13.475787      8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00000042682760
                2s
                   +0 :              -0.00001273482049
                3s
                   +0 :              -0.00000221051393
                2p
                   -1 :              -0.00004880339753
                   +0 :              -0.00004184182680
                   +1 :              -0.00009564601834
                3p
                   -1 :               0.00004298266674
                   +0 :               0.00002962833185
                   +1 :               0.00009243097833
                3d
                   -2 :              -0.00000509222645
                   -1 :              -0.00000178015637
                   +0 :               0.00000231848342
                   +1 :              -0.00000344021163
                   +2 :               0.00000036159616
             11 vec=   -13.385770      4.491729      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00000821626516
                2s
                   +0 :               0.00005722692017
                3s
                   +0 :               0.00000517842626
                2p
                   -1 :               0.00004722491756
                   +0 :              -0.00005060088996
                   +1 :              -0.00008041309808
                3p
                   -1 :              -0.00003499818494
                   +0 :               0.00004698324078
                   +1 :               0.00002287389259
                3d
                   -2 :               0.00000291116204
                   -1 :               0.00000238403617
                   +0 :              -0.00000095911323
                   +1 :              -0.00000095099597
                   +2 :               0.00000539383210
             12 vec=   -13.385770     -4.492029      8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00000577393838
                2s
                   +0 :              -0.00002770478554
                3s
                   +0 :               0.00003185344007
                2p
                   -1 :              -0.00003753886705
                   +0 :              -0.00013709378013
                   +1 :              -0.00004090123154
                3p
                   -1 :               0.00002061945404
                   +0 :               0.00011847397346
                   +1 :              -0.00001979861074
                3d
                   -2 :              -0.00000222188053
                   -1 :               0.00000319624226
                   +0 :               0.00000772857683
                   +1 :              -0.00000671612324
                   +2 :               0.00000295760866
             13 vec=     2.174555      4.491729    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00000207541528
                2s
                   +0 :              -0.00004520425588
                3s
                   +0 :              -0.00000550776894
                2p
                   -1 :               0.00014765230107
                   +0 :               0.00013350687489
                   +1 :               0.00002716612333
                3p
                   -1 :              -0.00010108318524
                   +0 :              -0.00007138299205
                   +1 :              -0.00002999697986
                3d
                   -2 :              -0.00000667163529
                   -1 :              -0.00000204738595
                   +0 :               0.00001122042525
                   +1 :               0.00000059035540
                   +2 :              -0.00000602491325
             14 vec=     2.174555     -4.492029    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00004302276546
                2s
                   +0 :              -0.00036033333657
                3s
                   +0 :               0.00008523931878
                2p
                   -1 :               0.00021758746185
                   +0 :               0.00025019622680
                   +1 :               0.00005782241135
                3p
                   -1 :              -0.00011289050774
                   +0 :              -0.00010261301288
                   +1 :               0.00000465728001
                3d
                   -2 :              -0.00000034069029
                   -1 :               0.00000231623156
                   +0 :              -0.00000137004456
                   +1 :              -0.00000734845422
                   +2 :               0.00000112304726
             15 vec=    -5.605607     -0.000150    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00002163647239
                2s
                   +0 :              -0.00022640883111
                3s
                   +0 :               0.00002418034102
                2p
                   -1 :              -0.00000959830739
                   +0 :               0.00020417837472
                   +1 :              -0.00001591117817
                3p
                   -1 :              -0.00006810280411
                   +0 :              -0.00004335717683
                   +1 :               0.00002026548025
                3d
                   -2 :              -0.00000137521903
                   -1 :               0.00001346062342
                   +0 :               0.00000006536399
                   +1 :              -0.00000337201353
                   +2 :               0.00000649099845
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 18)  npairs=  14
              1 vec=    -0.209286      0.362794      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00034580791639
                2s
                   +0 :               0.00038832924993
                3s
                   +0 :              -0.00127673453330
                2p
                   -1 :               0.00165423345713
                   +0 :               0.00391642102774
                   +1 :               0.00167140711142
                3p
                   -1 :              -0.00102034901801
                   +0 :              -0.00371588699579
                   +1 :              -0.00086502972682
                3d
                   -2 :              -0.00001319032640
                   -1 :               0.00008627905708
                   +0 :              -0.00075849048582
                   +1 :               0.00011004965612
                   +2 :              -0.00011846373048
              2 vec=    -0.209286     -8.620964      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00005563099603
                2s
                   +0 :              -0.00015132901661
                3s
                   +0 :               0.00015394187426
                2p
                   -1 :              -0.00054318421393
                   +0 :               0.00052411238695
                   +1 :               0.00028353240049
                3p
                   -1 :               0.00028057683288
                   +0 :              -0.00039057011628
                   +1 :              -0.00025204188887
                3d
                   -2 :               0.00004399181077
                   -1 :               0.00001445183796
                   +0 :              -0.00004243955649
                   +1 :              -0.00004332886834
                   +2 :               0.00002055879077
              3 vec=     7.570876     -4.129085      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00024271257936
                2s
                   +0 :              -0.00100430076765
                3s
                   +0 :               0.00083453999191
                2p
                   -1 :              -0.00126882366177
                   +0 :              -0.00122868358048
                   +1 :               0.00099140989570
                3p
                   -1 :               0.00083733088088
                   +0 :               0.00094382110459
                   +1 :              -0.00044386048554
                3d
                   -2 :               0.00003916406368
                   -1 :              -0.00000853925537
                   +0 :               0.00004905693870
                   +1 :              -0.00004382281005
                   +2 :              -0.00002867149664
              4 vec=    -7.989449     -4.129085      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00002738364372
                2s
                   +0 :               0.00034577011531
                3s
                   +0 :               0.00015424750908
                2p
                   -1 :              -0.00002307779427
                   +0 :              -0.00051268409684
                   +1 :              -0.00018623582875
                3p
                   -1 :              -0.00017355009095
                   +0 :               0.00012780425185
                   +1 :              -0.00019161312523
                3d
                   -2 :               0.00002941646571
                   -1 :              -0.00001978579882
                   +0 :              -0.00004243492701
                   +1 :              -0.00001043348985
                   +2 :               0.00000210632260
              5 vec=     7.570876      4.854673      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00007072537954
                2s
                   +0 :               0.00053944037505
                3s
                   +0 :              -0.00028131686802
                2p
                   -1 :               0.00072798086207
                   +0 :              -0.00012727059713
                   +1 :               0.00056949558759
                3p
                   -1 :              -0.00046482970433
                   +0 :               0.00005380578528
                   +1 :              -0.00016834893918
                3d
                   -2 :              -0.00002775648888
                   -1 :              -0.00001304504248
                   +0 :               0.00002389018456
                   +1 :              -0.00001057110612
                   +2 :              -0.00002414003244
              6 vec=    -7.989449      4.854673      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00002457579446
                2s
                   +0 :               0.00027227381922
                3s
                   +0 :              -0.00005015629863
                2p
                   -1 :               0.00012746859515
                   +0 :              -0.00038633803945
                   +1 :              -0.00087208525663
                3p
                   -1 :               0.00003291387057
                   +0 :               0.00043839450458
                   +1 :               0.00051565742499
                3d
                   -2 :               0.00003253043028
                   -1 :              -0.00000498990639
                   +0 :               0.00006260204634
                   +1 :              -0.00002085369806
                   +2 :              -0.00002058894497
              7 vec=    -0.209286      9.346552      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00001420857464
                2s
                   +0 :               0.00061561400044
                3s
                   +0 :              -0.00004448919670
                2p
                   -1 :               0.00090021685611
                   +0 :               0.00062561590796
                   +1 :               0.00005502415248
                3p
                   -1 :              -0.00036335505992
                   +0 :              -0.00059946451805
                   +1 :              -0.00010530655090
                3d
                   -2 :              -0.00003419306282
                   -1 :              -0.00000777239472
                   +0 :              -0.00001228791235
                   +1 :               0.00000006158433
                   +2 :              -0.00001691611547
              8 vec=    -0.209286      0.362794    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00001944930838
                2s
                   +0 :               0.00009780979215
                3s
                   +0 :              -0.00008882289836
                2p
                   -1 :              -0.00013881638426
                   +0 :              -0.00002178789930
                   +1 :              -0.00004997299939
                3p
                   -1 :               0.00010466926063
                   +0 :               0.00007508545707
                   +1 :               0.00007778828079
                3d
                   -2 :               0.00000262805059
                   -1 :              -0.00000383729898
                   +0 :              -0.00000402974512
                   +1 :              -0.00000301603940
                   +2 :              -0.00000014727839
              9 vec=     7.570876    -13.112843      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00001006737596
                2s
                   +0 :              -0.00007351322845
                3s
                   +0 :               0.00005974363241
                2p
                   -1 :              -0.00003218662116
                   +0 :               0.00005857505050
                   +1 :               0.00005360363904
                3p
                   -1 :              -0.00001538382573
                   +0 :              -0.00004315805403
                   +1 :              -0.00003736860880
                3d
                   -2 :              -0.00000161608648
                   -1 :               0.00000137742537
                   +0 :              -0.00000779880896
                   +1 :              -0.00000638616320
                   +2 :              -0.00000498382090
             10 vec=    -7.989449    -13.112843      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00001105977059
                2s
                   +0 :               0.00009193504456
                3s
                   +0 :              -0.00002206817101
                2p
                   -1 :              -0.00013347298746
                   +0 :               0.00001122292218
                   +1 :              -0.00005009927663
                3p
                   -1 :               0.00005975051528
                   +0 :               0.00002017757556
                   +1 :              -0.00000218781788
                3d
                   -2 :               0.00000338707551
                   -1 :              -0.00000118698833
                   +0 :               0.00000074002276
                   +1 :              -0.00000133603968
                   +2 :               0.00000326497324
             11 vec=    15.351039      0.362794      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000645617242
                2s
                   +0 :               0.00007498378485
                3s
                   +0 :              -0.00000831948290
                2p
                   -1 :              -0.00010300682732
                   +0 :               0.00002602102818
                   +1 :              -0.00000339634930
                3p
                   -1 :               0.00007730449682
                   +0 :               0.00001229757192
                   +1 :               0.00004599199853
                3d
                   -2 :               0.00000327071609
                   -1 :              -0.00000103025937
                   +0 :              -0.00000511222869
                   +1 :               0.00000667475995
                   +2 :               0.00000467076053
             12 vec=   -15.769612      0.362794      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000042772069
                2s
                   +0 :               0.00003651533217
                3s
                   +0 :               0.00001999531164
                2p
                   -1 :              -0.00001174229698
                   +0 :               0.00003449504961
                   +1 :              -0.00003406155381
                3p
                   -1 :              -0.00000250655294
                   +0 :               0.00000735014026
                   +1 :              -0.00003149540157
                3d
                   -2 :               0.00000485155693
                   -1 :              -0.00000477314420
                   +0 :               0.00000327079213
                   +1 :              -0.00000698382589
                   +2 :               0.00000393842928
             13 vec=     7.570876     13.838431      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001493212187
                2s
                   +0 :               0.00011362990880
                3s
                   +0 :              -0.00002353779271
                2p
                   -1 :               0.00000038592735
                   +0 :               0.00001982575897
                   +1 :               0.00001968091681
                3p
                   -1 :               0.00003888945360
                   +0 :               0.00002826034745
                   +1 :              -0.00002407612116
                3d
                   -2 :               0.00000007830450
                   -1 :               0.00000093803142
                   +0 :               0.00000188856348
                   +1 :              -0.00000195065742
                   +2 :              -0.00000181990392
             14 vec=    -7.989449     13.838431      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00000320945258
                2s
                   +0 :               0.00000826577513
                3s
                   +0 :               0.00001200475215
                2p
                   -1 :               0.00000684862432
                   +0 :               0.00004805551526
                   +1 :               0.00003298224643
                3p
                   -1 :               0.00001754796030
                   +0 :              -0.00003604648169
                   +1 :              -0.00003537287274
                3d
                   -2 :               0.00000347438834
                   -1 :              -0.00000279412342
                   +0 :              -0.00000154329137
                   +1 :              -0.00000135423538
                   +2 :              -0.00000143766469
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 19)  npairs=  14
              1 vec=    -0.418573     -2.752923      4.091257   |vec|=    4.948957
                1s
                   +0 :              -0.00266875560729
                2s
                   +0 :               0.08158329931293
                3s
                   +0 :              -0.00482231111805
                2p
                   -1 :              -0.03642163511619
                   +0 :               0.04391934339920
                   +1 :              -0.00735595233059
                3p
                   -1 :               0.00469447960633
                   +0 :              -0.00608170712683
                   +1 :               0.00035939657091
                3d
                   -2 :               0.00083479671279
                   -1 :              -0.00162164889970
                   +0 :               0.00096532923110
                   +1 :              -0.00030415033416
                   +2 :              -0.00200506907746
              2 vec=    -0.418573      6.230835      4.091257   |vec|=    7.465715
                1s
                   +0 :              -0.00042446439128
                2s
                   +0 :               0.00318845933653
                3s
                   +0 :              -0.00148968765935
                2p
                   -1 :               0.00327461053095
                   +0 :               0.00191404258688
                   +1 :               0.00188670077525
                3p
                   -1 :              -0.00155089243726
                   +0 :              -0.00076228478514
                   +1 :              -0.00175579163046
                3d
                   -2 :               0.00005070111457
                   -1 :              -0.00010412134757
                   +0 :               0.00039313282647
                   +1 :              -0.00007644302776
                   +2 :               0.00022033039794
              3 vec=     7.361590      1.738956      4.091257   |vec|=    8.599730
                1s
                   +0 :              -0.00026569963397
                2s
                   +0 :               0.00127099180647
                3s
                   +0 :              -0.00088310354477
                2p
                   -1 :              -0.00051219266629
                   +0 :              -0.00355771623035
                   +1 :               0.00326405359253
                3p
                   -1 :              -0.00108783354006
                   +0 :               0.00062671814551
                   +1 :              -0.00170694026021
                3d
                   -2 :              -0.00018440465199
                   -1 :              -0.00008715368161
                   +0 :              -0.00001133982225
                   +1 :              -0.00026217840702
                   +2 :               0.00006683637373
              4 vec=    -8.198735      1.738956      4.091257   |vec|=    9.326393
                1s
                   +0 :              -0.00024816496491
                2s
                   +0 :               0.00176499769057
                3s
                   +0 :              -0.00057171925235
                2p
                   -1 :               0.00031565755973
                   +0 :               0.00036346178940
                   +1 :              -0.00260988403997
                3p
                   -1 :              -0.00060408181144
                   +0 :              -0.00120881688401
                   +1 :               0.00080692978007
                3d
                   -2 :               0.00002869239298
                   -1 :              -0.00002723045710
                   +0 :              -0.00001515310336
                   +1 :               0.00016193719879
                   +2 :               0.00006056076782
              5 vec=     7.361590     -7.244802      4.091257   |vec|=   11.109390
                1s
                   +0 :               0.00019329523662
                2s
                   +0 :              -0.00089013494515
                3s
                   +0 :               0.00043572587593
                2p
                   -1 :              -0.00129809596333
                   +0 :               0.00090589610285
                   +1 :               0.00006175817035
                3p
                   -1 :               0.00101457549850
                   +0 :              -0.00100548523758
                   +1 :               0.00000056165863
                3d
                   -2 :               0.00010906216709
                   -1 :               0.00004873354505
                   +0 :               0.00007949567810
                   +1 :              -0.00000502741345
                   +2 :               0.00005999290588
              6 vec=    -8.198735     -7.244802      4.091257   |vec|=   11.680959
                1s
                   +0 :              -0.00002302818960
                2s
                   +0 :               0.00007536226008
                3s
                   +0 :              -0.00001136137635
                2p
                   -1 :               0.00000503029717
                   +0 :               0.00008469439939
                   +1 :              -0.00059854515471
                3p
                   -1 :               0.00007668453461
                   +0 :              -0.00017289800135
                   +1 :               0.00057484480108
                3d
                   -2 :              -0.00001749736193
                   -1 :              -0.00002465458504
                   +0 :              -0.00000615125857
                   +1 :              -0.00002957822803
                   +2 :               0.00000978084547
              7 vec=    -0.418573    -11.736681      4.091257   |vec|=   12.436369
                1s
                   +0 :              -0.00000981384181
                2s
                   +0 :               0.00018827669761
                3s
                   +0 :              -0.00003229387982
                2p
                   -1 :              -0.00020534358411
                   +0 :               0.00004942621024
                   +1 :               0.00050061462505
                3p
                   -1 :               0.00016769882772
                   +0 :               0.00003070763671
                   +1 :              -0.00023089293053
                3d
                   -2 :              -0.00001213002729
                   -1 :               0.00001884973994
                   +0 :               0.00001796307131
                   +1 :               0.00000150778066
                   +2 :               0.00000174787166
              8 vec=     7.361590     10.722714      4.091257   |vec|=   13.634808
                1s
                   +0 :               0.00000546954525
                2s
                   +0 :               0.00025851454097
                3s
                   +0 :               0.00018672363850
                2p
                   -1 :               0.00026740184514
                   +0 :               0.00004170975717
                   +1 :              -0.00019525868444
                3p
                   -1 :               0.00022489883468
                   +0 :               0.00006813698687
                   +1 :               0.00038196792978
                3d
                   -2 :               0.00005621386503
                   -1 :               0.00002134962735
                   +0 :              -0.00001146039976
                   +1 :               0.00002060068981
                   +2 :              -0.00001935652757
              9 vec=    -8.198735     10.722714      4.091257   |vec|=   14.104405
                1s
                   +0 :               0.00000055126474
                2s
                   +0 :               0.00010610886692
                3s
                   +0 :               0.00006150339448
                2p
                   -1 :               0.00004899560200
                   +0 :              -0.00004507251555
                   +1 :               0.00010362229353
                3p
                   -1 :               0.00011832666529
                   +0 :               0.00003752940836
                   +1 :              -0.00018602303240
                3d
                   -2 :              -0.00002397862751
                   -1 :               0.00001705579775
                   +0 :              -0.00002869429775
                   +1 :               0.00000826683043
                   +2 :              -0.00000390419610
             10 vec=    -0.418573     15.214593      4.091257   |vec|=   15.760629
                1s
                   +0 :               0.00000555522876
                2s
                   +0 :               0.00002953234412
                3s
                   +0 :               0.00001259774136
                2p
                   -1 :               0.00002282754087
                   +0 :               0.00002613565504
                   +1 :               0.00007999364772
                3p
                   -1 :               0.00004585693119
                   +0 :              -0.00001815717694
                   +1 :              -0.00008963531444
                3d
                   -2 :              -0.00000532728348
                   -1 :              -0.00000371419630
                   +0 :               0.00000203995580
                   +1 :               0.00000058382955
                   +2 :               0.00000163294511
             11 vec=    15.141753     -2.752923      4.091257   |vec|=   15.924498
                1s
                   +0 :              -0.00005887858555
                2s
                   +0 :               0.00037233021754
                3s
                   +0 :              -0.00016220303685
                2p
                   -1 :              -0.00001701265343
                   +0 :               0.00015764542019
                   +1 :               0.00011143039468
                3p
                   -1 :              -0.00000966994338
                   +0 :              -0.00015542783435
                   +1 :              -0.00004226599290
                3d
                   -2 :              -0.00000379400736
                   -1 :               0.00000099019012
                   +0 :              -0.00000977561414
                   +1 :              -0.00002513493985
                   +2 :              -0.00000628753815
             12 vec=   -15.978898     -2.752923      4.091257   |vec|=   16.722504
                1s
                   +0 :               0.00002303397721
                2s
                   +0 :              -0.00015235469821
                3s
                   +0 :               0.00007877178911
                2p
                   -1 :              -0.00003441575327
                   +0 :              -0.00005594309749
                   +1 :               0.00003618086689
                3p
                   -1 :               0.00000552843220
                   +0 :               0.00003231473323
                   +1 :              -0.00002206621981
                3d
                   -2 :              -0.00000320504553
                   -1 :              -0.00000231344844
                   +0 :              -0.00000200455629
                   +1 :              -0.00000072403416
                   +2 :               0.00000189691223
             13 vec=    15.141753      6.230835      4.091257   |vec|=   16.877036
                1s
                   +0 :              -0.00000988820166
                2s
                   +0 :               0.00007908863272
                3s
                   +0 :              -0.00001991266131
                2p
                   -1 :              -0.00003719043039
                   +0 :              -0.00006968331794
                   +1 :               0.00004166926433
                3p
                   -1 :               0.00005197307826
                   +0 :               0.00005172041344
                   +1 :              -0.00000124788461
                3d
                   -2 :               0.00000933835762
                   -1 :              -0.00000068533462
                   +0 :               0.00000025296202
                   +1 :               0.00001019585333
                   +2 :               0.00000387601780
             14 vec=   -15.978898      6.230835      4.091257   |vec|=   17.631984
                1s
                   +0 :              -0.00000402756622
                2s
                   +0 :               0.00003683423089
                3s
                   +0 :              -0.00000859283439
                2p
                   -1 :               0.00005046684302
                   +0 :              -0.00001263560740
                   +1 :              -0.00000432307913
                3p
                   -1 :              -0.00002251647403
                   +0 :               0.00000540051753
                   +1 :              -0.00000164908646
                3d
                   -2 :              -0.00000176416751
                   -1 :               0.00000001786175
                   +0 :              -0.00000005841275
                   +1 :               0.00000062774424
                   +2 :              -0.00000528532209
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 20)  npairs=  14
              1 vec=     2.593388      1.738956      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00236335213791
                2s
                   +0 :               0.06027634775794
                3s
                   +0 :              -0.00350444008318
                2p
                   -1 :               0.01138047984136
                   +0 :               0.02399773048946
                   +1 :               0.02314850907316
                3p
                   -1 :               0.00433652654973
                   +0 :               0.00287957769818
                   +1 :              -0.00150222340670
                3d
                   -2 :               0.00096278290268
                   -1 :               0.00119814691693
                   +0 :               0.00149036537978
                   +1 :               0.00295734324199
                   +2 :               0.00047726330437
              2 vec=    -5.186775     -2.752923      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00009003470149
                2s
                   +0 :              -0.00151599895101
                3s
                   +0 :               0.00049706307059
                2p
                   -1 :              -0.00062156182353
                   +0 :               0.00153251457554
                   +1 :               0.00041040719398
                3p
                   -1 :               0.00011864482658
                   +0 :              -0.00123137198012
                   +1 :              -0.00117177619650
                3d
                   -2 :              -0.00008878672879
                   -1 :               0.00014325311117
                   +0 :              -0.00033596742661
                   +1 :               0.00014210548056
                   +2 :              -0.00004538305975
              3 vec=     2.593388     -7.244802      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00026979428738
                2s
                   +0 :              -0.00278090278340
                3s
                   +0 :               0.00098880678471
                2p
                   -1 :               0.00172095810157
                   +0 :              -0.00333010706967
                   +1 :               0.00188091934903
                3p
                   -1 :              -0.00120575762305
                   +0 :               0.00081819670918
                   +1 :              -0.00046195983369
                3d
                   -2 :              -0.00009003852740
                   -1 :               0.00002848335238
                   +0 :              -0.00009826019468
                   +1 :              -0.00021440728172
                   +2 :               0.00000913661947
              4 vec=    -5.186775      6.230835      4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00012543538460
                2s
                   +0 :              -0.00055866058464
                3s
                   +0 :               0.00052478817399
                2p
                   -1 :               0.00170337674418
                   +0 :              -0.00106123518448
                   +1 :              -0.00214029024283
                3p
                   -1 :              -0.00035721082471
                   +0 :               0.00002927335958
                   +1 :               0.00191016611077
                3d
                   -2 :               0.00003968748467
                   -1 :              -0.00011014946737
                   +0 :               0.00001237559060
                   +1 :               0.00008325681133
                   +2 :              -0.00015712996349
              5 vec=    10.373550     -2.752923      4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00025184987821
                2s
                   +0 :              -0.00138416483821
                3s
                   +0 :               0.00081197553920
                2p
                   -1 :              -0.00047032140712
                   +0 :               0.00051871980785
                   +1 :              -0.00114114153549
                3p
                   -1 :               0.00036324187459
                   +0 :              -0.00052184586198
                   +1 :               0.00112473897156
                3d
                   -2 :               0.00004074435935
                   -1 :              -0.00000069923411
                   +0 :              -0.00004868942389
                   +1 :              -0.00002729504899
                   +2 :               0.00006488241623
              6 vec=     2.593388     10.722714      4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00002947011492
                2s
                   +0 :               0.00000358425866
                3s
                   +0 :               0.00016360128119
                2p
                   -1 :               0.00024191794721
                   +0 :              -0.00018340048406
                   +1 :               0.00007861745605
                3p
                   -1 :               0.00001526728828
                   +0 :               0.00009693233283
                   +1 :              -0.00010231838145
                3d
                   -2 :               0.00000485563545
                   -1 :              -0.00000114353200
                   +0 :              -0.00001741934324
                   +1 :              -0.00000459391855
                   +2 :              -0.00001041273411
              7 vec=    10.373550      6.230835      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00001615855166
                2s
                   +0 :               0.00005227210792
                3s
                   +0 :               0.00013212813668
                2p
                   -1 :              -0.00039419106334
                   +0 :              -0.00005929789122
                   +1 :              -0.00011338340214
                3p
                   -1 :               0.00025532800813
                   +0 :               0.00017852902120
                   +1 :               0.00020783333219
                3d
                   -2 :               0.00000199822720
                   -1 :              -0.00002164321829
                   +0 :              -0.00004049742287
                   +1 :               0.00002607573517
                   +2 :              -0.00000477030303
              8 vec=    -5.186775    -11.736681      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00006159761754
                2s
                   +0 :               0.00071178220258
                3s
                   +0 :              -0.00016775361440
                2p
                   -1 :              -0.00062309194809
                   +0 :              -0.00016895994678
                   +1 :              -0.00051366616182
                3p
                   -1 :               0.00019066751323
                   +0 :               0.00009222125142
                   +1 :               0.00020025981298
                3d
                   -2 :               0.00000734052115
                   -1 :              -0.00000244087299
                   +0 :              -0.00002012730830
                   +1 :              -0.00002157674644
                   +2 :              -0.00003353758782
              9 vec=   -12.966938      1.738956      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00002270299972
                2s
                   +0 :               0.00012637541934
                3s
                   +0 :               0.00014612482946
                2p
                   -1 :              -0.00005596748690
                   +0 :               0.00003815459124
                   +1 :              -0.00048624302294
                3p
                   -1 :               0.00000738623443
                   +0 :              -0.00006881679244
                   +1 :               0.00010263756578
                3d
                   -2 :              -0.00000173089396
                   -1 :              -0.00001452467577
                   +0 :              -0.00000923694110
                   +1 :               0.00002689203805
                   +2 :               0.00002209724549
             10 vec=   -12.966938     -7.244802      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00004955204755
                2s
                   +0 :              -0.00030122288206
                3s
                   +0 :               0.00013941803398
                2p
                   -1 :               0.00010494817393
                   +0 :              -0.00001765896455
                   +1 :               0.00013291294207
                3p
                   -1 :              -0.00010426322934
                   +0 :               0.00000532899506
                   +1 :              -0.00011208959565
                3d
                   -2 :               0.00000981362422
                   -1 :              -0.00000306753346
                   +0 :               0.00000157654480
                   +1 :              -0.00000218459360
                   +2 :               0.00000095005527
             11 vec=    10.373550    -11.736681      4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00001036532154
                2s
                   +0 :              -0.00006553190651
                3s
                   +0 :               0.00006551234520
                2p
                   -1 :               0.00022276477672
                   +0 :              -0.00003962832538
                   +1 :              -0.00006355966074
                3p
                   -1 :              -0.00026165851584
                   +0 :               0.00001540365693
                   +1 :               0.00007354490837
                3d
                   -2 :              -0.00001865774672
                   -1 :              -0.00000427731733
                   +0 :              -0.00000736303571
                   +1 :               0.00000053746874
                   +2 :              -0.00002014565147
             12 vec=    -5.186775     15.214593      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00000003859789
                2s
                   +0 :               0.00001982889597
                3s
                   +0 :               0.00001113022852
                2p
                   -1 :              -0.00012829012438
                   +0 :              -0.00004882638561
                   +1 :              -0.00006077136939
                3p
                   -1 :               0.00014954368759
                   +0 :               0.00002449382191
                   +1 :               0.00003474292531
                3d
                   -2 :              -0.00000517242921
                   -1 :              -0.00000149013513
                   +0 :              -0.00000995393928
                   +1 :              -0.00000353955811
                   +2 :              -0.00000787633041
             13 vec=     2.593388    -16.228560      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00000563890858
                2s
                   +0 :               0.00002809776541
                3s
                   +0 :              -0.00002428173244
                2p
                   -1 :              -0.00001665518622
                   +0 :               0.00006181866246
                   +1 :              -0.00002621633443
                3p
                   -1 :              -0.00000872366920
                   +0 :              -0.00005828202709
                   +1 :               0.00003164407868
                3d
                   -2 :              -0.00000384355660
                   -1 :               0.00000711730606
                   +0 :              -0.00000528513782
                   +1 :               0.00000363255020
                   +2 :               0.00000478375323
             14 vec=   -12.966938     10.722714      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000128854969
                2s
                   +0 :               0.00000678707281
                3s
                   +0 :               0.00001409522993
                2p
                   -1 :              -0.00003307749725
                   +0 :              -0.00005720515165
                   +1 :              -0.00006856091478
                3p
                   -1 :               0.00004163526143
                   +0 :               0.00003116047335
                   +1 :               0.00003173885715
                3d
                   -2 :              -0.00000310796136
                   -1 :              -0.00000035613219
                   +0 :               0.00000287944453
                   +1 :               0.00000184400067
                   +2 :               0.00000307996184
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 21)  npairs=  14
              1 vec=    -2.802674      1.376461      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00246000503554
                2s
                   +0 :               0.05304591161135
                3s
                   +0 :              -0.00372853285027
                2p
                   -1 :               0.00717662774283
                   +0 :               0.02523615800622
                   +1 :              -0.02435283959933
                3p
                   -1 :               0.00216638188682
                   +0 :              -0.00023667998372
                   +1 :               0.00274999457435
                3d
                   -2 :              -0.00073239059876
                   -1 :               0.00076462925709
                   +0 :               0.00099036692453
                   +1 :              -0.00292785716810
                   +2 :               0.00114661901676
              2 vec=     4.977489     -3.115418      4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00227552511984
                2s
                   +0 :               0.01632341935324
                3s
                   +0 :              -0.00760373775449
                2p
                   -1 :              -0.00870197776752
                   +0 :               0.00584382820837
                   +1 :               0.01246804625162
                3p
                   -1 :               0.00597211014589
                   +0 :              -0.00446945646619
                   +1 :              -0.00903637403104
                3d
                   -2 :               0.00068900245790
                   -1 :               0.00028671315512
                   +0 :               0.00036847329015
                   +1 :              -0.00043800083152
                   +2 :              -0.00033834563857
              3 vec=     4.977489      5.868340      4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00009604044030
                2s
                   +0 :               0.00088928603149
                3s
                   +0 :               0.00006121068670
                2p
                   -1 :               0.00532028249341
                   +0 :              -0.00269714904261
                   +1 :               0.00151459373839
                3p
                   -1 :              -0.00204946888554
                   +0 :               0.00052134612840
                   +1 :              -0.00045895506903
                3d
                   -2 :               0.00006297473059
                   -1 :              -0.00009762240114
                   +0 :              -0.00012773259291
                   +1 :              -0.00010832830554
                   +2 :              -0.00004307525439
              4 vec=    -2.802674     -7.607297      4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00015737282064
                2s
                   +0 :               0.00106632320970
                3s
                   +0 :              -0.00015084528509
                2p
                   -1 :              -0.00128278414433
                   +0 :              -0.00188494009133
                   +1 :              -0.00196395935463
                3p
                   -1 :              -0.00079562619717
                   +0 :               0.00051157695104
                   +1 :               0.00032643858651
                3d
                   -2 :               0.00012382937786
                   -1 :               0.00003593273373
                   +0 :              -0.00014526840464
                   +1 :               0.00000249652854
                   +2 :              -0.00017230225920
              5 vec=    -2.802674     10.360219      4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00005197624656
                2s
                   +0 :               0.00064023160018
                3s
                   +0 :              -0.00020717653858
                2p
                   -1 :               0.00037327745064
                   +0 :              -0.00017520488112
                   +1 :              -0.00079089745151
                3p
                   -1 :              -0.00012798800827
                   +0 :               0.00010106158505
                   +1 :               0.00072105165092
                3d
                   -2 :               0.00006906428800
                   -1 :              -0.00001778364870
                   +0 :               0.00004430847402
                   +1 :               0.00003387141610
                   +2 :               0.00002180465564
              6 vec=   -10.582837     -3.115418      4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00007021849028
                2s
                   +0 :               0.00042983390077
                3s
                   +0 :              -0.00024696144832
                2p
                   -1 :              -0.00082223477575
                   +0 :              -0.00030013151481
                   +1 :              -0.00049779853357
                3p
                   -1 :               0.00069576604067
                   +0 :               0.00014562667619
                   +1 :               0.00054347239639
                3d
                   -2 :              -0.00002527185412
                   -1 :               0.00000771516699
                   +0 :               0.00003302125890
                   +1 :               0.00000687585751
                   +2 :              -0.00006234214789
              7 vec=   -10.582837      5.868340      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00000666786052
                2s
                   +0 :               0.00011166069640
                3s
                   +0 :               0.00002540224771
                2p
                   -1 :              -0.00001343837154
                   +0 :               0.00030604168388
                   +1 :               0.00016753884753
                3p
                   -1 :               0.00011118766772
                   +0 :              -0.00016337516322
                   +1 :              -0.00018553125717
                3d
                   -2 :               0.00003387892838
                   -1 :              -0.00003224712930
                   +0 :              -0.00000583957465
                   +1 :               0.00000878422284
                   +2 :              -0.00000087340200
              8 vec=    12.757651      1.376461      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00001467260813
                2s
                   +0 :               0.00033442079061
                3s
                   +0 :               0.00005661828050
                2p
                   -1 :               0.00008690599933
                   +0 :               0.00009632684801
                   +1 :               0.00015425067142
                3p
                   -1 :              -0.00007385430367
                   +0 :              -0.00007786358011
                   +1 :               0.00018854150911
                3d
                   -2 :              -0.00000176798377
                   -1 :               0.00000956543344
                   +0 :              -0.00002718293614
                   +1 :              -0.00001624916303
                   +2 :               0.00004441891668
              9 vec=     4.977489    -12.099176      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00001099927248
                2s
                   +0 :              -0.00002881626477
                3s
                   +0 :               0.00005258712528
                2p
                   -1 :              -0.00017833634760
                   +0 :              -0.00015194645654
                   +1 :              -0.00014721040975
                3p
                   -1 :               0.00010157816507
                   +0 :               0.00009610430151
                   +1 :               0.00013189851224
                3d
                   -2 :               0.00001470893080
                   -1 :               0.00000188247858
                   +0 :              -0.00000422578156
                   +1 :               0.00000872271550
                   +2 :               0.00000847322429
             10 vec=    12.757651     -7.607297      4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00003191837483
                2s
                   +0 :               0.00019497085433
                3s
                   +0 :              -0.00005659135395
                2p
                   -1 :              -0.00015703247268
                   +0 :               0.00011157311315
                   +1 :               0.00017374669853
                3p
                   -1 :               0.00007103802167
                   +0 :              -0.00010745769594
                   +1 :              -0.00008724366037
                3d
                   -2 :              -0.00001716890372
                   -1 :               0.00001008057652
                   +0 :              -0.00001294855925
                   +1 :              -0.00000273595196
                   +2 :               0.00000106722990
             11 vec=     4.977489     14.852098      4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00001066298870
                2s
                   +0 :               0.00007952442400
                3s
                   +0 :               0.00000079739793
                2p
                   -1 :               0.00003977551203
                   +0 :              -0.00002106480703
                   +1 :              -0.00002286504787
                3p
                   -1 :               0.00002756790402
                   +0 :               0.00001481747203
                   +1 :               0.00000718847205
                3d
                   -2 :              -0.00000748622739
                   -1 :               0.00000709384361
                   +0 :              -0.00001177261554
                   +1 :              -0.00000298532967
                   +2 :              -0.00000085836199
             12 vec=   -10.582837    -12.099176      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00002417923553
                2s
                   +0 :              -0.00016965510656
                3s
                   +0 :               0.00006513333997
                2p
                   -1 :               0.00013420914680
                   +0 :               0.00002542409041
                   +1 :               0.00003408204508
                3p
                   -1 :              -0.00009065551056
                   +0 :              -0.00004874232058
                   +1 :              -0.00002617307736
                3d
                   -2 :               0.00000119428066
                   -1 :              -0.00000136405239
                   +0 :              -0.00000649138410
                   +1 :               0.00000387300463
                   +2 :              -0.00000099305267
             13 vec=    12.757651     10.360219      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00000300745151
                2s
                   +0 :               0.00002439916514
                3s
                   +0 :              -0.00000227528907
                2p
                   -1 :               0.00004660320273
                   +0 :              -0.00008570448081
                   +1 :              -0.00002889523443
                3p
                   -1 :              -0.00004718247360
                   +0 :               0.00006264366936
                   +1 :               0.00004383546177
                3d
                   -2 :               0.00000520634624
                   -1 :              -0.00000362321568
                   +0 :               0.00000444602872
                   +1 :               0.00000080145590
                   +2 :               0.00000019903977
             14 vec=    -2.802674    -16.591055      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000058962542
                2s
                   +0 :              -0.00001721281064
                3s
                   +0 :               0.00000127836073
                2p
                   -1 :              -0.00001885397008
                   +0 :               0.00004149680169
                   +1 :               0.00006737273899
                3p
                   -1 :               0.00001572534569
                   +0 :              -0.00005473395703
                   +1 :              -0.00002425325605
                3d
                   -2 :              -0.00000034538602
                   -1 :               0.00000047426727
                   +0 :              -0.00000165478789
                   +1 :               0.00000044862656
                   +2 :               0.00000230673191
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 22)  npairs=  15
              1 vec=    -5.186256     -0.000299     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00017776450657
                2s
                   +0 :              -0.00158440972633
                3s
                   +0 :              -0.00012142566464
                2p
                   -1 :               0.00237701816097
                   +0 :               0.00026821403653
                   +1 :               0.00025058648723
                3p
                   -1 :              -0.00092455899019
                   +0 :               0.00125961800322
                   +1 :               0.00068335262998
                3d
                   -2 :               0.00002867467347
                   -1 :              -0.00014736460229
                   +0 :              -0.00005534452457
                   +1 :              -0.00014621099317
                   +2 :               0.00005291630401
              2 vec=     2.593906      4.491580     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00048592490172
                2s
                   +0 :              -0.00459400863824
                3s
                   +0 :               0.00070614287143
                2p
                   -1 :              -0.00354079993210
                   +0 :               0.00530849265209
                   +1 :               0.00033154715468
                3p
                   -1 :               0.00073819091936
                   +0 :              -0.00072964552455
                   +1 :              -0.00044024976221
                3d
                   -2 :               0.00017755875692
                   -1 :               0.00014955741225
                   +0 :              -0.00012641841672
                   +1 :              -0.00010409653889
                   +2 :               0.00003206558006
              3 vec=     2.593906     -4.492178     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00040619879425
                2s
                   +0 :              -0.00347073118863
                3s
                   +0 :               0.00067813246744
                2p
                   -1 :              -0.00021539777772
                   +0 :               0.00164365174008
                   +1 :              -0.00169135268746
                3p
                   -1 :               0.00031911586877
                   +0 :              -0.00051506098175
                   +1 :               0.00009203967694
                3d
                   -2 :              -0.00004713136627
                   -1 :               0.00006908224984
                   +0 :               0.00005703512435
                   +1 :               0.00019914523434
                   +2 :              -0.00014732746272
              4 vec=    -5.186256      8.983459     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00000521550205
                2s
                   +0 :              -0.00015669448000
                3s
                   +0 :               0.00004269874535
                2p
                   -1 :               0.00007331335448
                   +0 :              -0.00007682152158
                   +1 :              -0.00004638867654
                3p
                   -1 :              -0.00002946724119
                   +0 :               0.00004304479254
                   +1 :               0.00004114942584
                3d
                   -2 :               0.00002700024813
                   -1 :               0.00001772669726
                   +0 :               0.00001908803033
                   +1 :              -0.00000421140842
                   +2 :               0.00001797028132
              5 vec=    -5.186256     -8.984057     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001207901091
                2s
                   +0 :              -0.00007852178508
                3s
                   +0 :              -0.00009685538921
                2p
                   -1 :               0.00047473463822
                   +0 :              -0.00019790162092
                   +1 :              -0.00015053257971
                3p
                   -1 :              -0.00014363120323
                   +0 :               0.00030364877319
                   +1 :               0.00008672877960
                3d
                   -2 :              -0.00000651890657
                   -1 :              -0.00000018117529
                   +0 :              -0.00001545226273
                   +1 :              -0.00003071850819
                   +2 :              -0.00001339373001
              6 vec=    10.374069     -0.000299     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00004589838207
                2s
                   +0 :              -0.00029136753314
                3s
                   +0 :               0.00017183978634
                2p
                   -1 :              -0.00048634140990
                   +0 :              -0.00017836663270
                   +1 :              -0.00006174288282
                3p
                   -1 :               0.00035435592267
                   +0 :               0.00008885740530
                   +1 :               0.00010440141753
                3d
                   -2 :               0.00007807101854
                   -1 :               0.00000371348776
                   +0 :              -0.00003762968987
                   +1 :              -0.00003661273608
                   +2 :               0.00000528169007
              7 vec=   -12.966419      4.491580     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00001243597733
                2s
                   +0 :               0.00002871499799
                3s
                   +0 :              -0.00005613259738
                2p
                   -1 :               0.00007118178862
                   +0 :               0.00004531613614
                   +1 :               0.00023299453923
                3p
                   -1 :              -0.00004422876264
                   +0 :              -0.00003585791242
                   +1 :              -0.00008410306654
                3d
                   -2 :               0.00000344232505
                   -1 :               0.00000212212945
                   +0 :               0.00000588750669
                   +1 :               0.00000540976257
                   +2 :              -0.00000266588275
              8 vec=   -12.966419     -4.492178     -8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00002952498400
                2s
                   +0 :              -0.00027038255643
                3s
                   +0 :               0.00007346406287
                2p
                   -1 :               0.00012401818840
                   +0 :               0.00006883101621
                   +1 :               0.00029411310197
                3p
                   -1 :              -0.00008931400846
                   +0 :              -0.00003820225031
                   +1 :              -0.00009719068813
                3d
                   -2 :               0.00001074990795
                   -1 :               0.00000283225261
                   +0 :               0.00000388448482
                   +1 :               0.00000674879354
                   +2 :              -0.00000803111978
              9 vec=     2.593906     13.475338     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00002525182116
                2s
                   +0 :               0.00016121481844
                3s
                   +0 :              -0.00011212923670
                2p
                   -1 :               0.00002983982389
                   +0 :              -0.00014525002909
                   +1 :               0.00000323216101
                3p
                   -1 :              -0.00006278441692
                   +0 :               0.00011489845893
                   +1 :              -0.00002309888805
                3d
                   -2 :              -0.00000745144167
                   -1 :               0.00000893308801
                   +0 :              -0.00001048520987
                   +1 :               0.00001027219852
                   +2 :              -0.00000300739530
             10 vec=    10.374069      8.983459     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000909071585
                2s
                   +0 :              -0.00011007788323
                3s
                   +0 :               0.00002193815386
                2p
                   -1 :              -0.00004518362396
                   +0 :              -0.00003321875127
                   +1 :               0.00003229973577
                3p
                   -1 :               0.00006499022757
                   +0 :               0.00009112348477
                   +1 :              -0.00004143256491
                3d
                   -2 :               0.00000991258355
                   -1 :               0.00000037276316
                   +0 :              -0.00001358097307
                   +1 :               0.00001184032081
                   +2 :              -0.00000296750980
             11 vec=     2.593906    -13.475936     -8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00009101472109
                2s
                   +0 :               0.00070978055051
                3s
                   +0 :              -0.00017598473593
                2p
                   -1 :              -0.00024759528535
                   +0 :               0.00019110746716
                   +1 :               0.00016918068599
                3p
                   -1 :               0.00007456889685
                   +0 :              -0.00010731763675
                   +1 :               0.00003263608235
                3d
                   -2 :              -0.00002150960850
                   -1 :               0.00001438836340
                   +0 :              -0.00001751294030
                   +1 :               0.00001108543248
                   +2 :              -0.00000344468029
             12 vec=    10.374069     -8.984057     -8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000210684137
                2s
                   +0 :              -0.00006319179046
                3s
                   +0 :              -0.00005712794623
                2p
                   -1 :               0.00003228974547
                   +0 :              -0.00003315779090
                   +1 :               0.00011384960854
                3p
                   -1 :               0.00009399141960
                   +0 :               0.00003830451672
                   +1 :              -0.00014136177877
                3d
                   -2 :               0.00001083946967
                   -1 :              -0.00001926711980
                   +0 :               0.00002731291748
                   +1 :               0.00000551083747
                   +2 :               0.00000058512886
             13 vec=    -5.186256     -0.000299     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00001185368068
                2s
                   +0 :               0.00008889845435
                3s
                   +0 :              -0.00000765566458
                2p
                   -1 :               0.00005490591902
                   +0 :               0.00007723721830
                   +1 :              -0.00000374922889
                3p
                   -1 :               0.00000198881900
                   +0 :               0.00005739821406
                   +1 :              -0.00000753257456
                3d
                   -2 :               0.00000289269043
                   -1 :               0.00000535493965
                   +0 :               0.00000507724477
                   +1 :               0.00000437157266
                   +2 :              -0.00000128177871
             14 vec=     2.593906      4.491580     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00003600330912
                2s
                   +0 :               0.00024552949411
                3s
                   +0 :              -0.00009307301727
                2p
                   -1 :              -0.00008059776307
                   +0 :               0.00014603551966
                   +1 :              -0.00004657157576
                3p
                   -1 :               0.00005540354305
                   +0 :              -0.00005243265398
                   +1 :               0.00008094600121
                3d
                   -2 :               0.00000752379787
                   -1 :              -0.00000112649336
                   +0 :              -0.00000921717546
                   +1 :               0.00000902198018
                   +2 :               0.00000440480585
             15 vec=     2.593906     -4.492178     16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000944230271
                2s
                   +0 :              -0.00002858675618
                3s
                   +0 :               0.00005222668318
                2p
                   -1 :               0.00000738619980
                   +0 :               0.00013214201905
                   +1 :              -0.00020841352982
                3p
                   -1 :              -0.00007752355013
                   +0 :               0.00001567761311
                   +1 :               0.00012368977892
                3d
                   -2 :              -0.00000279706731
                   -1 :              -0.00001060820629
                   +0 :              -0.00000173186223
                   +1 :              -0.00000176325373
                   +2 :               0.00000113709013
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 23)  npairs=  14
              1 vec=    -0.419091     -0.000299     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00025416144901
                2s
                   +0 :              -0.00010176791581
                3s
                   +0 :               0.00101839413855
                2p
                   -1 :               0.00065255777674
                   +0 :               0.00255822745792
                   +1 :               0.00029490374132
                3p
                   -1 :              -0.00030610367558
                   +0 :              -0.00288723341616
                   +1 :              -0.00028779345237
                3d
                   -2 :              -0.00009495116999
                   -1 :              -0.00019951008521
                   +0 :               0.00063612342968
                   +1 :              -0.00001345737118
                   +2 :              -0.00001795865904
              2 vec=     7.361071      4.491580     -8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00006968344439
                2s
                   +0 :              -0.00083183785192
                3s
                   +0 :               0.00017727704051
                2p
                   -1 :              -0.00014620660491
                   +0 :               0.00084808017850
                   +1 :              -0.00098367112772
                3p
                   -1 :              -0.00008209861939
                   +0 :              -0.00049635712851
                   +1 :               0.00041147022869
                3d
                   -2 :               0.00001268445316
                   -1 :              -0.00000776184233
                   +0 :               0.00004241132257
                   +1 :              -0.00001775085801
                   +2 :               0.00000970075878
              3 vec=     7.361071     -4.492178     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00017258560533
                2s
                   +0 :               0.00058809781582
                3s
                   +0 :              -0.00081259134570
                2p
                   -1 :               0.00036122055822
                   +0 :              -0.00115196498261
                   +1 :              -0.00055840967408
                3p
                   -1 :              -0.00002871958627
                   +0 :               0.00093350448670
                   +1 :               0.00016011309384
                3d
                   -2 :               0.00001596550734
                   -1 :              -0.00002857075393
                   +0 :              -0.00005587939700
                   +1 :              -0.00001169110684
                   +2 :               0.00007830689071
              4 vec=    -0.419091      8.983459     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00001704378776
                2s
                   +0 :              -0.00026636016701
                3s
                   +0 :              -0.00011997449500
                2p
                   -1 :              -0.00048770371812
                   +0 :              -0.00017050071043
                   +1 :               0.00024814374199
                3p
                   -1 :              -0.00022631621546
                   +0 :               0.00005505046767
                   +1 :              -0.00006961248983
                3d
                   -2 :               0.00000157865489
                   -1 :               0.00006904413653
                   +0 :               0.00004858318552
                   +1 :               0.00001218273790
                   +2 :               0.00003945996547
              5 vec=    -0.419091     -8.984057     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00002432998425
                2s
                   +0 :               0.00099798315078
                3s
                   +0 :               0.00035241212487
                2p
                   -1 :               0.00032602601331
                   +0 :               0.00033964612076
                   +1 :               0.00038605011351
                3p
                   -1 :              -0.00053581340871
                   +0 :              -0.00009939025646
                   +1 :              -0.00061436036163
                3d
                   -2 :               0.00010041760821
                   -1 :               0.00017402443400
                   +0 :              -0.00017008486292
                   +1 :               0.00005024027093
                   +2 :              -0.00031175933120
              6 vec=    -8.199254      4.491580     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00004756065135
                2s
                   +0 :              -0.00058222867662
                3s
                   +0 :               0.00005062443713
                2p
                   -1 :              -0.00056807486012
                   +0 :              -0.00021178552363
                   +1 :               0.00094693813665
                3p
                   -1 :               0.00024606554284
                   +0 :               0.00036161238341
                   +1 :              -0.00035238617100
                3d
                   -2 :              -0.00003315852877
                   -1 :               0.00002562293825
                   +0 :              -0.00005492925565
                   +1 :              -0.00001521394675
                   +2 :              -0.00000286941749
              7 vec=    -8.199254     -4.492178     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00006165016006
                2s
                   +0 :              -0.00089152938798
                3s
                   +0 :               0.00014036349629
                2p
                   -1 :               0.00044087208714
                   +0 :               0.00059421413156
                   +1 :               0.00033220120243
                3p
                   -1 :              -0.00019569532923
                   +0 :              -0.00052151574534
                   +1 :               0.00005391905138
                3d
                   -2 :              -0.00002874397982
                   -1 :              -0.00000575059453
                   +0 :               0.00001380763740
                   +1 :               0.00000642958407
                   +2 :              -0.00003477389275
              8 vec=    -0.419091     -0.000299     16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00001676186066
                2s
                   +0 :              -0.00013680935070
                3s
                   +0 :               0.00006952941506
                2p
                   -1 :              -0.00005543886888
                   +0 :              -0.00001685015400
                   +1 :              -0.00003912077256
                3p
                   -1 :               0.00009173623165
                   +0 :               0.00006688130040
                   +1 :               0.00001141308667
                3d
                   -2 :              -0.00000894947956
                   -1 :               0.00000159764446
                   +0 :               0.00001286872796
                   +1 :              -0.00000094541818
                   +2 :              -0.00000307369613
              9 vec=    15.141234     -0.000299     -8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00001884770082
                2s
                   +0 :              -0.00013053792467
                3s
                   +0 :               0.00006057248908
                2p
                   -1 :               0.00001275782284
                   +0 :               0.00012061422035
                   +1 :              -0.00016748783584
                3p
                   -1 :              -0.00000983672458
                   +0 :              -0.00009461386206
                   +1 :               0.00016578163904
                3d
                   -2 :               0.00000231181809
                   -1 :               0.00000146177708
                   +0 :               0.00000025894270
                   +1 :               0.00000033351955
                   +2 :               0.00000792819000
             10 vec=     7.361071     13.475338     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000914809603
                2s
                   +0 :              -0.00005733532883
                3s
                   +0 :               0.00002315133395
                2p
                   -1 :              -0.00010984242096
                   +0 :               0.00002086358104
                   +1 :              -0.00006388886872
                3p
                   -1 :               0.00002426212605
                   +0 :               0.00000793739586
                   +1 :               0.00003303013651
                3d
                   -2 :               0.00000323585019
                   -1 :               0.00000144593091
                   +0 :               0.00000296064087
                   +1 :              -0.00000183034207
                   +2 :              -0.00000269585290
             11 vec=     7.361071    -13.475936     -8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000856574744
                2s
                   +0 :               0.00005988134251
                3s
                   +0 :              -0.00003117869662
                2p
                   -1 :               0.00003043158253
                   +0 :               0.00006675011766
                   +1 :               0.00007981770933
                3p
                   -1 :               0.00003115503725
                   +0 :              -0.00000340950211
                   +1 :              -0.00003103508231
                3d
                   -2 :               0.00000339122643
                   -1 :              -0.00000599113764
                   +0 :               0.00000303293096
                   +1 :               0.00000408700608
                   +2 :               0.00000885741133
             12 vec=    -8.199254     13.475338     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000167074682
                2s
                   +0 :               0.00000485616113
                3s
                   +0 :              -0.00000931643704
                2p
                   -1 :              -0.00002347229217
                   +0 :               0.00003008890548
                   +1 :               0.00000543680090
                3p
                   -1 :              -0.00000120388922
                   +0 :               0.00000206875570
                   +1 :              -0.00000041631422
                3d
                   -2 :              -0.00000393178349
                   -1 :               0.00000345414826
                   +0 :              -0.00000530464191
                   +1 :              -0.00000142049557
                   +2 :               0.00000147606216
             13 vec=    -8.199254    -13.475936     -8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00001081392815
                2s
                   +0 :               0.00010872179231
                3s
                   +0 :              -0.00003691760137
                2p
                   -1 :               0.00008404968513
                   +0 :               0.00003493391559
                   +1 :              -0.00021913291738
                3p
                   -1 :               0.00000834150329
                   +0 :               0.00002317526910
                   +1 :               0.00011919524283
                3d
                   -2 :              -0.00000315343862
                   -1 :              -0.00000466252751
                   +0 :              -0.00000133713261
                   +1 :               0.00000026638465
                   +2 :               0.00000339118691
             14 vec=   -15.979417     -0.000299     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000094378284
                2s
                   +0 :              -0.00004944764465
                3s
                   +0 :               0.00000412663094
                2p
                   -1 :               0.00004504086996
                   +0 :               0.00006407772452
                   +1 :               0.00003575889571
                3p
                   -1 :              -0.00003006271711
                   +0 :              -0.00004893574857
                   +1 :              -0.00001850460921
                3d
                   -2 :              -0.00000052494089
                   -1 :              -0.00000027282543
                   +0 :              -0.00000113276702
                   +1 :               0.00000149657901
                   +2 :               0.00000222987382
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 24)  npairs=  15
              1 vec=    -2.802674     -4.128785     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00029318492360
                2s
                   +0 :              -0.00309940231136
                3s
                   +0 :               0.00013284550519
                2p
                   -1 :              -0.00123065939691
                   +0 :               0.00183461493177
                   +1 :               0.00281666889667
                3p
                   -1 :               0.00104987611681
                   +0 :               0.00014376718273
                   +1 :              -0.00071859024253
                3d
                   -2 :               0.00015528287171
                   -1 :              -0.00002421586379
                   +0 :               0.00007800116977
                   +1 :              -0.00001983446190
                   +2 :              -0.00003401753414
              2 vec=     4.977489      0.363094     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00023487107745
                2s
                   +0 :              -0.00211697609061
                3s
                   +0 :               0.00012977401824
                2p
                   -1 :               0.00140113034193
                   +0 :               0.00313111402159
                   +1 :              -0.00204397299642
                3p
                   -1 :               0.00053092463100
                   +0 :              -0.00014858974235
                   +1 :               0.00017252212081
                3d
                   -2 :               0.00005049127706
                   -1 :              -0.00028323925751
                   +0 :              -0.00016475905932
                   +1 :               0.00020967123964
                   +2 :              -0.00002261206615
              3 vec=    -2.802674      4.854973     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00020480334384
                2s
                   +0 :              -0.00131725638911
                3s
                   +0 :              -0.00009021616628
                2p
                   -1 :              -0.00179516888258
                   +0 :               0.00000302879201
                   +1 :              -0.00023295751210
                3p
                   -1 :               0.00032315074272
                   +0 :               0.00133471489309
                   +1 :               0.00023372430101
                3d
                   -2 :              -0.00016974041007
                   -1 :              -0.00004281480326
                   +0 :              -0.00008662612480
                   +1 :               0.00023513207124
                   +2 :              -0.00008479469669
              4 vec=     4.977489     -8.620664     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00009561293183
                2s
                   +0 :              -0.00088216613470
                3s
                   +0 :               0.00034208301110
                2p
                   -1 :               0.00051878588435
                   +0 :              -0.00016088280827
                   +1 :              -0.00048250047060
                3p
                   -1 :              -0.00018564319689
                   +0 :              -0.00002200020363
                   +1 :               0.00052461277775
                3d
                   -2 :              -0.00003963952665
                   -1 :               0.00003660139232
                   +0 :               0.00001298375202
                   +1 :              -0.00004033048781
                   +2 :               0.00001317974848
              5 vec=   -10.582837      0.363094     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00002240654685
                2s
                   +0 :              -0.00023215629710
                3s
                   +0 :               0.00001621995389
                2p
                   -1 :              -0.00061240929016
                   +0 :               0.00002256846442
                   +1 :              -0.00007535831396
                3p
                   -1 :               0.00053429308187
                   +0 :               0.00001994577517
                   +1 :               0.00010334339856
                3d
                   -2 :              -0.00005023999137
                   -1 :              -0.00001055248677
                   +0 :              -0.00004473817478
                   +1 :               0.00001770823182
                   +2 :              -0.00001094224580
              6 vec=     4.977489      9.346852     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00001671520382
                2s
                   +0 :              -0.00027638282028
                3s
                   +0 :               0.00002316524008
                2p
                   -1 :              -0.00014165569174
                   +0 :               0.00005889351524
                   +1 :              -0.00004610340896
                3p
                   -1 :              -0.00000202346659
                   +0 :              -0.00004495011845
                   +1 :              -0.00005364451528
                3d
                   -2 :              -0.00001030397846
                   -1 :              -0.00001128155379
                   +0 :               0.00000801600137
                   +1 :               0.00001294709186
                   +2 :               0.00000031734310
              7 vec=    -2.802674    -13.112543     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00011001571827
                2s
                   +0 :               0.00095157223027
                3s
                   +0 :              -0.00017701401241
                2p
                   -1 :              -0.00031117354734
                   +0 :               0.00035867662914
                   +1 :               0.00005757193060
                3p
                   -1 :               0.00000553462853
                   +0 :              -0.00014703399017
                   +1 :              -0.00026709420699
                3d
                   -2 :               0.00004659943924
                   -1 :              -0.00001107627533
                   +0 :              -0.00002630522343
                   +1 :              -0.00001714456277
                   +2 :               0.00000163363139
              8 vec=    12.757651     -4.128785     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00002965178803
                2s
                   +0 :               0.00015957259978
                3s
                   +0 :              -0.00020074552417
                2p
                   -1 :               0.00000968492258
                   +0 :              -0.00031525024361
                   +1 :               0.00011030448202
                3p
                   -1 :              -0.00002024913462
                   +0 :               0.00029025639693
                   +1 :              -0.00027101548658
                3d
                   -2 :               0.00001284586970
                   -1 :              -0.00002866370698
                   +0 :               0.00000129072316
                   +1 :               0.00003901061214
                   +2 :              -0.00003200054674
              9 vec=   -10.582837     -8.620664     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00000530027788
                2s
                   +0 :              -0.00010712965540
                3s
                   +0 :              -0.00001780663308
                2p
                   -1 :               0.00018160503394
                   +0 :               0.00007808741290
                   +1 :               0.00000987755076
                3p
                   -1 :              -0.00003956396451
                   +0 :              -0.00004088748507
                   +1 :               0.00001099871062
                3d
                   -2 :              -0.00000810276572
                   -1 :               0.00000534295083
                   +0 :              -0.00000987919890
                   +1 :               0.00000738004556
                   +2 :              -0.00000109677906
             10 vec=    12.757651      4.854973     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00000501162135
                2s
                   +0 :               0.00000568323605
                3s
                   +0 :              -0.00002969755649
                2p
                   -1 :               0.00008708483125
                   +0 :               0.00001920430411
                   +1 :              -0.00003536728181
                3p
                   -1 :              -0.00005756267214
                   +0 :              -0.00003247358279
                   +1 :              -0.00004723010738
                3d
                   -2 :              -0.00000773117301
                   -1 :              -0.00000199155889
                   +0 :               0.00000698823004
                   +1 :               0.00000234564088
                   +2 :              -0.00000592567101
             11 vec=   -10.582837      9.346852     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00001529473675
                2s
                   +0 :               0.00006375367222
                3s
                   +0 :              -0.00009040800351
                2p
                   -1 :               0.00007053629263
                   +0 :              -0.00003563091632
                   +1 :              -0.00016259040374
                3p
                   -1 :              -0.00006751560426
                   +0 :               0.00007368729063
                   +1 :               0.00014563960051
                3d
                   -2 :               0.00001914929670
                   -1 :               0.00000867262826
                   +0 :               0.00000879262802
                   +1 :              -0.00001815414608
                   +2 :              -0.00000861065420
             12 vec=    -2.802674     13.838731     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000095224843
                2s
                   +0 :              -0.00004848344442
                3s
                   +0 :              -0.00002123000273
                2p
                   -1 :              -0.00010925489601
                   +0 :              -0.00000946632825
                   +1 :               0.00010617314950
                3p
                   -1 :               0.00001715005817
                   +0 :               0.00002497653563
                   +1 :              -0.00001994613313
                3d
                   -2 :               0.00000690191571
                   -1 :               0.00000419074976
                   +0 :              -0.00000250279546
                   +1 :              -0.00000589880528
                   +2 :              -0.00000000825350
             13 vec=    -2.802674     -4.128785     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00001242589918
                2s
                   +0 :               0.00009915472869
                3s
                   +0 :              -0.00002665348787
                2p
                   -1 :              -0.00000998180731
                   +0 :               0.00021915543255
                   +1 :               0.00016364703976
                3p
                   -1 :               0.00000820913944
                   +0 :              -0.00008401060661
                   +1 :              -0.00006085440924
                3d
                   -2 :              -0.00000474959645
                   -1 :               0.00000927980165
                   +0 :              -0.00000518329779
                   +1 :               0.00000398238955
                   +2 :              -0.00000027354743
             14 vec=     4.977489      0.363094     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00003239973247
                2s
                   +0 :               0.00020805270836
                3s
                   +0 :              -0.00008149103719
                2p
                   -1 :               0.00003602763471
                   +0 :               0.00028007515487
                   +1 :               0.00023179096239
                3p
                   -1 :               0.00000426524862
                   +0 :              -0.00014553447479
                   +1 :              -0.00014087429012
                3d
                   -2 :               0.00000420484390
                   -1 :               0.00000644048188
                   +0 :              -0.00000146868641
                   +1 :              -0.00000416124003
                   +2 :              -0.00000042424883
             15 vec=    -2.802674      4.854973     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000655742930
                2s
                   +0 :               0.00007931341238
                3s
                   +0 :               0.00001208176920
                2p
                   -1 :              -0.00003721543476
                   +0 :               0.00012992635335
                   +1 :              -0.00002970449271
                3p
                   -1 :               0.00001604208699
                   +0 :               0.00000024876002
                   +1 :              -0.00004958687024
                3d
                   -2 :               0.00000085218719
                   -1 :              -0.00000110890568
                   +0 :               0.00000227867916
                   +1 :              -0.00001018594556
                   +2 :               0.00000311563270
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 25)  npairs=  18
              1 vec=    -3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00000251994845
                2s
                   +0 :              -0.00038802125265
                3s
                   +0 :              -0.00008102973093
                2p
                   -1 :               0.00026004766830
                   +0 :               0.00017038856692
                   +1 :              -0.00028052137552
                3p
                   -1 :              -0.00022688291677
                   +0 :               0.00000735203779
                   +1 :               0.00032606651432
                3d
                   -2 :               0.00002269242081
                   -1 :               0.00002599146379
                   +0 :               0.00000992062515
                   +1 :              -0.00002911542233
                   +2 :               0.00001074760196
              2 vec=    -3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006966532750
                2s
                   +0 :              -0.00014916146471
                3s
                   +0 :               0.00022569720262
                2p
                   -1 :              -0.00027545552092
                   +0 :               0.00009050173729
                   +1 :               0.00039765299392
                3p
                   -1 :               0.00024933602503
                   +0 :              -0.00005018121211
                   +1 :              -0.00029984874221
                3d
                   -2 :              -0.00000811322803
                   -1 :              -0.00000190367201
                   +0 :              -0.00001737479418
                   +1 :              -0.00003844725555
                   +2 :               0.00004235722105
              3 vec=     4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00015318247352
                2s
                   +0 :              -0.00177352313319
                3s
                   +0 :               0.00023891360212
                2p
                   -1 :               0.00008835407174
                   +0 :               0.00080629922220
                   +1 :              -0.00015938568944
                3p
                   -1 :               0.00006498871638
                   +0 :               0.00004424667936
                   +1 :               0.00003102934068
                3d
                   -2 :              -0.00002529914683
                   -1 :              -0.00001539685105
                   +0 :              -0.00002375296998
                   +1 :               0.00000672487708
                   +2 :               0.00001084785299
              4 vec=     4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00011438995906
                2s
                   +0 :               0.00138648788233
                3s
                   +0 :              -0.00018417882605
                2p
                   -1 :              -0.00011456012216
                   +0 :               0.00084605450439
                   +1 :              -0.00008719998580
                3p
                   -1 :               0.00005548189307
                   +0 :              -0.00000088906405
                   +1 :               0.00019456614215
                3d
                   -2 :               0.00002058744218
                   -1 :               0.00001064053774
                   +0 :               0.00000224757345
                   +1 :               0.00001940479543
                   +2 :              -0.00002120072499
              5 vec=    -3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005501052315
                2s
                   +0 :              -0.00046892718260
                3s
                   +0 :               0.00014770781147
                2p
                   -1 :               0.00025674780716
                   +0 :               0.00021484297996
                   +1 :              -0.00028989103321
                3p
                   -1 :               0.00004642891172
                   +0 :              -0.00005697700530
                   +1 :               0.00015429608822
                3d
                   -2 :               0.00000238955444
                   -1 :              -0.00001817059434
                   +0 :               0.00001125308395
                   +1 :              -0.00000195517956
                   +2 :               0.00000727241143
              6 vec=    -3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00010031762548
                2s
                   +0 :               0.00152182846109
                3s
                   +0 :              -0.00016683941080
                2p
                   -1 :              -0.00076150897755
                   +0 :               0.00109731929829
                   +1 :               0.00004683797264
                3p
                   -1 :               0.00007010465749
                   +0 :              -0.00016618540320
                   +1 :               0.00005623320498
                3d
                   -2 :              -0.00001447580071
                   -1 :              -0.00004601267083
                   +0 :               0.00002422645445
                   +1 :               0.00001115626187
                   +2 :              -0.00004391531489
              7 vec=     4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004475213531
                2s
                   +0 :              -0.00084115922338
                3s
                   +0 :               0.00009508198164
                2p
                   -1 :              -0.00033610258163
                   +0 :               0.00070624424252
                   +1 :              -0.00056665546599
                3p
                   -1 :               0.00014764679024
                   +0 :              -0.00018034969876
                   +1 :               0.00021241502714
                3d
                   -2 :              -0.00000741759456
                   -1 :               0.00000186882978
                   +0 :              -0.00000947222480
                   +1 :               0.00002057544273
                   +2 :              -0.00001323493502
              8 vec=     4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005677652056
                2s
                   +0 :               0.00055934643606
                3s
                   +0 :              -0.00012699099299
                2p
                   -1 :              -0.00016045756268
                   +0 :               0.00029856318393
                   +1 :               0.00048394339048
                3p
                   -1 :               0.00015878218924
                   +0 :              -0.00004122094047
                   +1 :              -0.00011806783258
                3d
                   -2 :               0.00001704510136
                   -1 :               0.00001265827286
                   +0 :              -0.00001533369301
                   +1 :               0.00002415294840
                   +2 :               0.00001461847128
              9 vec=   -10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002012070290
                2s
                   +0 :              -0.00020269225801
                3s
                   +0 :               0.00004611824707
                2p
                   -1 :               0.00010895810425
                   +0 :               0.00010225840337
                   +1 :              -0.00000269277731
                3p
                   -1 :              -0.00009774017961
                   +0 :              -0.00007091414161
                   +1 :               0.00007684749799
                3d
                   -2 :               0.00000284948256
                   -1 :               0.00000859095468
                   +0 :               0.00000569702117
                   +1 :              -0.00000253595908
                   +2 :              -0.00001337869727
             10 vec=   -10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001490655971
                2s
                   +0 :               0.00012498952468
                3s
                   +0 :              -0.00005648922230
                2p
                   -1 :              -0.00003510558471
                   +0 :               0.00004274373416
                   +1 :              -0.00011812965023
                3p
                   -1 :               0.00000162391336
                   +0 :              -0.00003004446686
                   +1 :              -0.00000278612628
                3d
                   -2 :              -0.00000071710142
                   -1 :               0.00000354596328
                   +0 :              -0.00000155908556
                   +1 :               0.00000122053779
                   +2 :              -0.00000213498611
             11 vec=    -3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000564545424
                2s
                   +0 :              -0.00004921289860
                3s
                   +0 :               0.00002856903384
                2p
                   -1 :               0.00004077100471
                   +0 :              -0.00002936113392
                   +1 :              -0.00001314009780
                3p
                   -1 :              -0.00007039859179
                   +0 :               0.00003014736542
                   +1 :               0.00004649219580
                3d
                   -2 :              -0.00000179011068
                   -1 :              -0.00000662138321
                   +0 :              -0.00000222020939
                   +1 :              -0.00000121511740
                   +2 :              -0.00000666663543
             12 vec=    -3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000340515175
                2s
                   +0 :               0.00006940073876
                3s
                   +0 :               0.00000011486092
                2p
                   -1 :               0.00003817316155
                   +0 :               0.00005288512575
                   +1 :               0.00016217146231
                3p
                   -1 :               0.00002440716167
                   +0 :              -0.00002181609140
                   +1 :              -0.00017344810687
                3d
                   -2 :              -0.00001226970769
                   -1 :               0.00000080957403
                   +0 :              -0.00000102018109
                   +1 :              -0.00001412287841
                   +2 :              -0.00000473545621
             13 vec=   -10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001590116305
                2s
                   +0 :              -0.00013865329265
                3s
                   +0 :               0.00003909841571
                2p
                   -1 :              -0.00014447718328
                   +0 :               0.00010593411317
                   +1 :               0.00002991997211
                3p
                   -1 :               0.00008097960655
                   +0 :              -0.00005268074757
                   +1 :               0.00000040848693
                3d
                   -2 :               0.00000126526768
                   -1 :              -0.00000056850847
                   +0 :              -0.00000399011775
                   +1 :               0.00000119896395
                   +2 :              -0.00000544130358
             14 vec=   -10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002059714140
                2s
                   +0 :               0.00018222402229
                3s
                   +0 :              -0.00005579480974
                2p
                   -1 :               0.00003199615922
                   +0 :               0.00008119418926
                   +1 :              -0.00013978766172
                3p
                   -1 :               0.00002082473405
                   +0 :              -0.00004839641294
                   +1 :               0.00006109428074
                3d
                   -2 :              -0.00000585465258
                   -1 :               0.00000017073087
                   +0 :               0.00000101680441
                   +1 :               0.00000387535097
                   +2 :              -0.00000382544324
             15 vec=     4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000479228419
                2s
                   +0 :              -0.00000492203804
                3s
                   +0 :               0.00004360937596
                2p
                   -1 :               0.00008082023844
                   +0 :               0.00003792355415
                   +1 :               0.00011604891984
                3p
                   -1 :              -0.00005000272672
                   +0 :              -0.00002105645796
                   +1 :              -0.00005534504878
                3d
                   -2 :              -0.00000037218961
                   -1 :               0.00001497056955
                   +0 :              -0.00000463824546
                   +1 :               0.00000210920246
                   +2 :              -0.00000833793537
             16 vec=     4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001564599869
                2s
                   +0 :               0.00010562916576
                3s
                   +0 :              -0.00005393146257
                2p
                   -1 :              -0.00009347193279
                   +0 :               0.00002577117055
                   +1 :               0.00011785841121
                3p
                   -1 :               0.00006666739787
                   +0 :              -0.00004214522410
                   +1 :              -0.00005896741025
                3d
                   -2 :               0.00000037543809
                   -1 :               0.00000324089105
                   +0 :              -0.00000546169992
                   +1 :              -0.00000516858308
                   +2 :              -0.00000080931649
             17 vec=    12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000050498517
                2s
                   +0 :              -0.00003888263572
                3s
                   +0 :              -0.00000732931367
                2p
                   -1 :               0.00001714887755
                   +0 :              -0.00003714357865
                   +1 :              -0.00018287410846
                3p
                   -1 :               0.00000892163911
                   +0 :               0.00001021413789
                   +1 :               0.00010012606617
                3d
                   -2 :               0.00000643434731
                   -1 :              -0.00000527091491
                   +0 :               0.00000459556457
                   +1 :               0.00000144262077
                   +2 :               0.00000104984406
             18 vec=    12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000864698047
                2s
                   +0 :               0.00008514821980
                3s
                   +0 :              -0.00003704756183
                2p
                   -1 :               0.00006179426704
                   +0 :               0.00001398404687
                   +1 :               0.00003604021577
                3p
                   -1 :              -0.00007543674192
                   +0 :              -0.00001622476196
                   +1 :              -0.00002362868718
                3d
                   -2 :              -0.00000889236774
                   -1 :              -0.00000717943553
                   +0 :               0.00000458393648
                   +1 :              -0.00000760776307
                   +2 :              -0.00000386008690
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 26)  npairs=  14
              1 vec=     0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006639907077
                2s
                   +0 :               0.00003926974174
                3s
                   +0 :              -0.00030814075380
                2p
                   -1 :              -0.00049158192772
                   +0 :              -0.00037947177349
                   +1 :              -0.00022932801961
                3p
                   -1 :               0.00044960098014
                   +0 :               0.00044041264974
                   +1 :               0.00014363632302
                3d
                   -2 :               0.00000789155784
                   -1 :              -0.00002087189423
                   +0 :               0.00000336860332
                   +1 :              -0.00001810995142
                   +2 :               0.00000078904054
              2 vec=     0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005422317957
                2s
                   +0 :               0.00020394541528
                3s
                   +0 :               0.00017308708386
                2p
                   -1 :               0.00058354137169
                   +0 :               0.00014564330402
                   +1 :               0.00048985186277
                3p
                   -1 :              -0.00027210857120
                   +0 :              -0.00008913650785
                   +1 :              -0.00035916979114
                3d
                   -2 :               0.00003937317568
                   -1 :              -0.00000275810414
                   +0 :              -0.00002152652442
                   +1 :              -0.00000547043006
                   +2 :               0.00001631245691
              3 vec=     0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011800745318
                2s
                   +0 :              -0.00132584311868
                3s
                   +0 :               0.00016622241635
                2p
                   -1 :              -0.00050110046554
                   +0 :               0.00069655771473
                   +1 :               0.00021406295104
                3p
                   -1 :              -0.00003450130703
                   +0 :               0.00019082791863
                   +1 :               0.00006720976206
                3d
                   -2 :               0.00003230828137
                   -1 :               0.00005637830653
                   +0 :              -0.00004828183185
                   +1 :              -0.00005290681187
                   +2 :               0.00001361256523
              4 vec=     0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00013323356393
                2s
                   +0 :               0.00162857738887
                3s
                   +0 :              -0.00014869017929
                2p
                   -1 :               0.00075911011836
                   +0 :               0.00102932986588
                   +1 :              -0.00028728715230
                3p
                   -1 :              -0.00040076583676
                   +0 :               0.00003711644197
                   +1 :               0.00011579084172
                3d
                   -2 :              -0.00002468462990
                   -1 :               0.00001735735632
                   +0 :               0.00008543980786
                   +1 :              -0.00001266342838
                   +2 :               0.00001519092201
              5 vec=    -7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00006958562617
                2s
                   +0 :              -0.00059819181500
                3s
                   +0 :               0.00016752648986
                2p
                   -1 :              -0.00005702385391
                   +0 :               0.00013460666039
                   +1 :               0.00029796003835
                3p
                   -1 :              -0.00010413946731
                   +0 :               0.00001228774041
                   +1 :              -0.00015459368591
                3d
                   -2 :               0.00000796040579
                   -1 :               0.00001465695391
                   +0 :               0.00001142660228
                   +1 :               0.00001807906518
                   +2 :               0.00001204597998
              6 vec=    -7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00006684093425
                2s
                   +0 :               0.00078639932648
                3s
                   +0 :              -0.00012313658207
                2p
                   -1 :               0.00053720430914
                   +0 :               0.00043666377551
                   +1 :              -0.00016681020865
                3p
                   -1 :              -0.00014770174249
                   +0 :              -0.00013412678106
                   +1 :              -0.00000760118401
                3d
                   -2 :              -0.00000825432949
                   -1 :               0.00001633477647
                   +0 :              -0.00000200048796
                   +1 :              -0.00000695922099
                   +2 :              -0.00000199634492
              7 vec=     7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004175376717
                2s
                   +0 :              -0.00061447454497
                3s
                   +0 :               0.00003104992671
                2p
                   -1 :              -0.00027776588931
                   +0 :              -0.00000966828545
                   +1 :              -0.00008340516128
                3p
                   -1 :               0.00006241669592
                   +0 :               0.00024214797125
                   +1 :              -0.00011817331310
                3d
                   -2 :              -0.00001439444031
                   -1 :               0.00001479471068
                   +0 :              -0.00001555939646
                   +1 :               0.00001058799025
                   +2 :               0.00000081634775
              8 vec=     7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003491264644
                2s
                   +0 :               0.00043924510096
                3s
                   +0 :              -0.00012304209345
                2p
                   -1 :               0.00019692992524
                   +0 :               0.00030990086381
                   +1 :               0.00003929897352
                3p
                   -1 :               0.00006319408362
                   +0 :              -0.00021050355800
                   +1 :               0.00003846854945
                3d
                   -2 :               0.00000443830403
                   -1 :               0.00002396564887
                   +0 :              -0.00002205408384
                   +1 :               0.00001304571641
                   +2 :              -0.00000378104628
              9 vec=    -7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000128909634
                2s
                   +0 :              -0.00009756857938
                3s
                   +0 :              -0.00001731375854
                2p
                   -1 :               0.00006754664585
                   +0 :              -0.00005411913695
                   +1 :               0.00017634160013
                3p
                   -1 :               0.00002590748226
                   +0 :               0.00008466640179
                   +1 :              -0.00011740738670
                3d
                   -2 :               0.00000239398757
                   -1 :              -0.00000482289691
                   +0 :              -0.00000457884787
                   +1 :               0.00000405936664
                   +2 :               0.00001178159594
             10 vec=    -7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000105055819
                2s
                   +0 :               0.00001287313072
                3s
                   +0 :               0.00000329132652
                2p
                   -1 :              -0.00003769809294
                   +0 :               0.00007129811226
                   +1 :              -0.00011353657114
                3p
                   -1 :              -0.00000671484919
                   +0 :              -0.00003316444429
                   +1 :               0.00004688024975
                3d
                   -2 :              -0.00000067638167
                   -1 :              -0.00000092948129
                   +0 :              -0.00000424564953
                   +1 :               0.00000501209731
                   +2 :              -0.00000344513634
             11 vec=     7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002995066361
                2s
                   +0 :              -0.00032824538877
                3s
                   +0 :               0.00004895258116
                2p
                   -1 :               0.00015575494609
                   +0 :               0.00017810197510
                   +1 :              -0.00014797193010
                3p
                   -1 :              -0.00002731410888
                   +0 :              -0.00005855178589
                   +1 :               0.00004092335368
                3d
                   -2 :               0.00000533072894
                   -1 :              -0.00000106291090
                   +0 :              -0.00001991895619
                   +1 :               0.00000666867142
                   +2 :               0.00000399816953
             12 vec=     7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000509521283
                2s
                   +0 :               0.00003823654699
                3s
                   +0 :               0.00001245397101
                2p
                   -1 :              -0.00011489243134
                   +0 :              -0.00004945303845
                   +1 :              -0.00006629543115
                3p
                   -1 :               0.00003285984595
                   +0 :               0.00009770397844
                   +1 :               0.00009532992081
                3d
                   -2 :              -0.00000564211566
                   -1 :              -0.00000562954071
                   +0 :               0.00002004538372
                   +1 :               0.00000532267531
                   +2 :              -0.00001254488539
             13 vec=     0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00010187984296
                2s
                   +0 :               0.00089692400998
                3s
                   +0 :              -0.00018375156593
                2p
                   -1 :               0.00008698513041
                   +0 :              -0.00043492111334
                   +1 :               0.00002933254918
                3p
                   -1 :              -0.00006827538620
                   +0 :               0.00008626490831
                   +1 :               0.00003651305625
                3d
                   -2 :              -0.00000431286584
                   -1 :               0.00001837586308
                   +0 :               0.00003179415346
                   +1 :              -0.00001021136355
                   +2 :              -0.00000532695190
             14 vec=     0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000381220330
                2s
                   +0 :               0.00002104929420
                3s
                   +0 :               0.00003736902066
                2p
                   -1 :              -0.00007938144568
                   +0 :              -0.00011269848203
                   +1 :               0.00003179817757
                3p
                   -1 :              -0.00004241851704
                   +0 :               0.00008180995745
                   +1 :              -0.00000290947803
                3d
                   -2 :              -0.00000109067463
                   -1 :              -0.00001218361903
                   +0 :               0.00000212422341
                   +1 :              -0.00000327614735
                   +2 :              -0.00001029624654
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 27)  npairs=  14
              1 vec=     2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003801575107
                2s
                   +0 :              -0.00080743591953
                3s
                   +0 :               0.00004215022064
                2p
                   -1 :               0.00064268950471
                   +0 :               0.00031196036996
                   +1 :               0.00013209299372
                3p
                   -1 :              -0.00043506980318
                   +0 :              -0.00011351532330
                   +1 :              -0.00005341050279
                3d
                   -2 :               0.00001101500797
                   -1 :               0.00000888054179
                   +0 :               0.00001553467974
                   +1 :               0.00001824619792
                   +2 :               0.00001516677130
              2 vec=     2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00010240529570
                2s
                   +0 :              -0.00022482397651
                3s
                   +0 :               0.00041312567580
                2p
                   -1 :              -0.00054774304973
                   +0 :              -0.00070777361226
                   +1 :              -0.00047750724954
                3p
                   -1 :               0.00043306437209
                   +0 :               0.00072325278096
                   +1 :               0.00046815980033
                3d
                   -2 :               0.00000076110447
                   -1 :               0.00003712859589
                   +0 :               0.00000040313524
                   +1 :               0.00002472427834
                   +2 :               0.00000023171516
              3 vec=    -5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00017104292346
                2s
                   +0 :              -0.00191271553096
                3s
                   +0 :               0.00024253688750
                2p
                   -1 :               0.00018460688524
                   +0 :               0.00097955976847
                   +1 :               0.00072191825367
                3p
                   -1 :              -0.00004976227562
                   +0 :              -0.00005631624388
                   +1 :              -0.00038334306884
                3d
                   -2 :               0.00000719867864
                   -1 :              -0.00000578975464
                   +0 :              -0.00008273287539
                   +1 :              -0.00002275417842
                   +2 :              -0.00001362184738
              4 vec=    -5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00008897272784
                2s
                   +0 :               0.00135233462555
                3s
                   +0 :              -0.00009150312417
                2p
                   -1 :              -0.00017516440617
                   +0 :               0.00098196549997
                   +1 :              -0.00030384668564
                3p
                   -1 :               0.00020476945913
                   +0 :              -0.00000894111879
                   +1 :              -0.00007812971651
                3d
                   -2 :              -0.00003550626062
                   -1 :               0.00002711576077
                   +0 :               0.00002102688179
                   +1 :              -0.00004984768388
                   +2 :               0.00000958624137
              5 vec=    -5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001450840445
                2s
                   +0 :              -0.00023050964812
                3s
                   +0 :               0.00004348175229
                2p
                   -1 :              -0.00009055869782
                   +0 :               0.00016180860593
                   +1 :               0.00032293449122
                3p
                   -1 :               0.00003786822318
                   +0 :              -0.00012685594059
                   +1 :              -0.00021715101828
                3d
                   -2 :              -0.00000602202177
                   -1 :               0.00000221121333
                   +0 :               0.00001159149827
                   +1 :               0.00001002963491
                   +2 :               0.00001174973003
              6 vec=    -5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00006229010620
                2s
                   +0 :               0.00046319703564
                3s
                   +0 :              -0.00014288115586
                2p
                   -1 :               0.00011448708165
                   +0 :               0.00013012056850
                   +1 :              -0.00006351792388
                3p
                   -1 :              -0.00012074999113
                   +0 :              -0.00003218787860
                   +1 :              -0.00010623387379
                3d
                   -2 :               0.00001040822890
                   -1 :              -0.00002641618313
                   +0 :              -0.00001993105259
                   +1 :              -0.00001613707875
                   +2 :               0.00001850517743
              7 vec=     2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004360758325
                2s
                   +0 :              -0.00048763585258
                3s
                   +0 :               0.00012703983953
                2p
                   -1 :               0.00012466975308
                   +0 :               0.00039977245341
                   +1 :               0.00016014232391
                3p
                   -1 :               0.00006722875784
                   +0 :              -0.00027049912606
                   +1 :              -0.00000534282502
                3d
                   -2 :              -0.00000670520847
                   -1 :              -0.00001799794393
                   +0 :               0.00001996201586
                   +1 :              -0.00000375070055
                   +2 :              -0.00000324577078
              8 vec=     2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00004640714650
                2s
                   +0 :               0.00054400342492
                3s
                   +0 :              -0.00004270202894
                2p
                   -1 :              -0.00026905080975
                   +0 :              -0.00000875532336
                   +1 :              -0.00014835923799
                3p
                   -1 :              -0.00003008632597
                   +0 :               0.00024797721179
                   +1 :               0.00005319679573
                3d
                   -2 :               0.00002031874766
                   -1 :              -0.00002425173238
                   +0 :               0.00002367697951
                   +1 :              -0.00000805804171
                   +2 :              -0.00001408751257
              9 vec=     2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000160198799
                2s
                   +0 :              -0.00001589654791
                3s
                   +0 :               0.00000661429866
                2p
                   -1 :              -0.00013519953151
                   +0 :              -0.00006717396255
                   +1 :              -0.00002202944783
                3p
                   -1 :               0.00008490456817
                   +0 :               0.00005861978563
                   +1 :              -0.00001248450103
                3d
                   -2 :              -0.00000482724289
                   -1 :              -0.00000038210221
                   +0 :               0.00000273687277
                   +1 :               0.00000501457640
                   +2 :              -0.00000911363305
             10 vec=     2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000098254407
                2s
                   +0 :               0.00004380259401
                3s
                   +0 :               0.00000020912536
                2p
                   -1 :               0.00017456053786
                   +0 :              -0.00003990454740
                   +1 :              -0.00013355824090
                3p
                   -1 :              -0.00010299103593
                   +0 :               0.00007903123175
                   +1 :               0.00013191180856
                3d
                   -2 :               0.00001230362331
                   -1 :              -0.00000652040515
                   +0 :               0.00000667353264
                   +1 :               0.00001361040644
                   +2 :               0.00000860873410
             11 vec=    10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00003438322060
                2s
                   +0 :              -0.00025200562755
                3s
                   +0 :               0.00005479164774
                2p
                   -1 :               0.00005539357409
                   +0 :               0.00009644628142
                   +1 :               0.00005356368107
                3p
                   -1 :              -0.00004753178207
                   +0 :              -0.00003121928612
                   +1 :              -0.00013207056854
                3d
                   -2 :              -0.00000465228904
                   -1 :               0.00000934438847
                   +0 :              -0.00001324474887
                   +1 :               0.00001144304677
                   +2 :              -0.00001568826689
             12 vec=    10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001720377956
                2s
                   +0 :               0.00015637828182
                3s
                   +0 :              -0.00004597938206
                2p
                   -1 :              -0.00009658480447
                   +0 :               0.00010334498994
                   +1 :               0.00016895369861
                3p
                   -1 :               0.00006799621485
                   +0 :              -0.00003710390043
                   +1 :              -0.00006665511982
                3d
                   -2 :              -0.00000086390174
                   -1 :               0.00000401799451
                   +0 :               0.00001565926246
                   +1 :              -0.00000051817991
                   +2 :               0.00000042163777
             13 vec=    10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001151233938
                2s
                   +0 :              -0.00015217467272
                3s
                   +0 :               0.00000709489649
                2p
                   -1 :              -0.00003655675092
                   +0 :               0.00003911930206
                   +1 :              -0.00007650706653
                3p
                   -1 :              -0.00003156693062
                   +0 :               0.00002225038189
                   +1 :              -0.00001130634494
                3d
                   -2 :              -0.00000144901590
                   -1 :               0.00000711636810
                   +0 :              -0.00000458736118
                   +1 :               0.00000809933768
                   +2 :              -0.00000459532060
             14 vec=    10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000647756256
                2s
                   +0 :               0.00009218530955
                3s
                   +0 :              -0.00001851911016
                2p
                   -1 :               0.00009933699740
                   +0 :               0.00001609294897
                   +1 :               0.00015459368011
                3p
                   -1 :              -0.00004362089412
                   +0 :              -0.00001078425652
                   +1 :              -0.00007717117290
                3d
                   -2 :              -0.00000335594116
                   -1 :              -0.00000161281746
                   +0 :              -0.00000113037049
                   +1 :              -0.00000970741899
                   +2 :               0.00000619996935
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 28)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00025793390704
                2s
                   +0 :               0.00284390432559
                3s
                   +0 :              -0.00045244398341
                2p
                   -1 :               0.02953475166235
                   +0 :               0.87591172266175
                   +1 :               0.01634526078691
                3p
                   -1 :              -0.01197560133243
                   +0 :              -0.04009531623769
                   +1 :              -0.00665027721751
                3d
                   -2 :               0.00114105333229
                   -1 :              -0.00211055415036
                   +0 :               0.00008073182102
                   +1 :               0.00382022364714
                   +2 :               0.00192462838656
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027609819150
                2s
                   +0 :              -0.00203949255760
                3s
                   +0 :               0.00118534200202
                2p
                   -1 :               0.00077461784126
                   +0 :               0.00065737413265
                   +1 :               0.00181749841824
                3p
                   -1 :              -0.00101181388886
                   +0 :              -0.00055821492521
                   +1 :              -0.00163505215668
                3d
                   -2 :               0.00018724100943
                   -1 :               0.00000543234708
                   +0 :              -0.00002031931131
                   +1 :               0.00016901966392
                   +2 :               0.00011195823710
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00001533393773
                2s
                   +0 :              -0.00012808354739
                3s
                   +0 :               0.00003504723599
                2p
                   -1 :              -0.00008473127585
                   +0 :               0.00066749428456
                   +1 :              -0.00001774259533
                3p
                   -1 :              -0.00007693449907
                   +0 :              -0.00037871386468
                   +1 :              -0.00006809597233
                3d
                   -2 :               0.00001345887634
                   -1 :               0.00001833960703
                   +0 :              -0.00000767407136
                   +1 :              -0.00002429343358
                   +2 :               0.00002559843162
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000683423480
                2s
                   +0 :              -0.00041527998123
                3s
                   +0 :              -0.00011591333399
                2p
                   -1 :              -0.00061799893538
                   +0 :              -0.00025091217781
                   +1 :              -0.00025716849651
                3p
                   -1 :               0.00078044130400
                   +0 :               0.00033525272812
                   +1 :               0.00026914421797
                3d
                   -2 :              -0.00006371743511
                   -1 :              -0.00009806712068
                   +0 :              -0.00000489291283
                   +1 :              -0.00004616121606
                   +2 :              -0.00006362349698
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00025862693335
                2s
                   +0 :               0.00196624474221
                3s
                   +0 :              -0.00114170655178
                2p
                   -1 :               0.00205043327604
                   +0 :               0.00060781605890
                   +1 :              -0.00003921532093
                3p
                   -1 :              -0.00195820602694
                   +0 :              -0.00046382383833
                   +1 :              -0.00023023051704
                3d
                   -2 :              -0.00000899608797
                   -1 :              -0.00013963024141
                   +0 :               0.00002719017224
                   +1 :               0.00006151637244
                   +2 :               0.00021956774960
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000176609333
                2s
                   +0 :              -0.00000529691258
                3s
                   +0 :              -0.00001446615020
                2p
                   -1 :               0.00142068338745
                   +0 :              -0.00022421129063
                   +1 :               0.00081183172853
                3p
                   -1 :              -0.00156642141330
                   +0 :               0.00057224834436
                   +1 :              -0.00084127211040
                3d
                   -2 :              -0.00003556467118
                   -1 :              -0.00009554145293
                   +0 :              -0.00000641832216
                   +1 :               0.00016925422955
                   +2 :              -0.00005140051331
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00007198584785
                2s
                   +0 :              -0.00024351837634
                3s
                   +0 :               0.00028564893956
                2p
                   -1 :              -0.00070368626900
                   +0 :              -0.00030720977293
                   +1 :              -0.00047654367044
                3p
                   -1 :               0.00069141485816
                   +0 :               0.00038361753419
                   +1 :               0.00053776128028
                3d
                   -2 :              -0.00002619153372
                   -1 :               0.00010144771914
                   +0 :               0.00001199348266
                   +1 :               0.00005921881338
                   +2 :              -0.00008176909892
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003301069517
                2s
                   +0 :              -0.00022235828752
                3s
                   +0 :               0.00007564286402
                2p
                   -1 :              -0.00001157620517
                   +0 :               0.00009434749973
                   +1 :               0.00004368796466
                3p
                   -1 :              -0.00000068994550
                   +0 :              -0.00010431693984
                   +1 :               0.00001906759458
                3d
                   -2 :               0.00000019186197
                   -1 :              -0.00000382341786
                   +0 :               0.00001141206819
                   +1 :               0.00000833000455
                   +2 :              -0.00000425324173
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002385873541
                2s
                   +0 :              -0.00021771542249
                3s
                   +0 :               0.00001668267364
                2p
                   -1 :               0.00003962944686
                   +0 :              -0.00009005657220
                   +1 :              -0.00004910272467
                3p
                   -1 :               0.00011133682535
                   +0 :               0.00003250963494
                   +1 :               0.00009011436163
                3d
                   -2 :              -0.00002686065664
                   -1 :              -0.00000570512715
                   +0 :               0.00001273279482
                   +1 :               0.00000007064697
                   +2 :               0.00001182245384
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003754381510
                2s
                   +0 :               0.00025356903399
                3s
                   +0 :              -0.00008346247117
                2p
                   -1 :               0.00002570423486
                   +0 :               0.00011587873450
                   +1 :              -0.00006504319858
                3p
                   -1 :               0.00003850149516
                   +0 :              -0.00010859581890
                   +1 :               0.00002194007010
                3d
                   -2 :              -0.00000314829613
                   -1 :              -0.00000519841962
                   +0 :              -0.00001154854763
                   +1 :               0.00000834578754
                   +2 :              -0.00000478965298
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001673840030
                2s
                   +0 :              -0.00016093642349
                3s
                   +0 :               0.00002097536735
                2p
                   -1 :              -0.00014416850148
                   +0 :               0.00004083377646
                   +1 :               0.00012090518857
                3p
                   -1 :               0.00020538458175
                   +0 :              -0.00003589862702
                   +1 :              -0.00015966134762
                3d
                   -2 :               0.00001286157944
                   -1 :              -0.00001269478497
                   +0 :               0.00001264255113
                   +1 :              -0.00000793522041
                   +2 :               0.00001088961811
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002331955422
                2s
                   +0 :               0.00022517691637
                3s
                   +0 :              -0.00001717444834
                2p
                   -1 :              -0.00001257341392
                   +0 :              -0.00011158867968
                   +1 :               0.00006303100026
                3p
                   -1 :               0.00013825239513
                   +0 :               0.00004554537314
                   +1 :               0.00003498348150
                3d
                   -2 :               0.00002271324365
                   -1 :               0.00000183650809
                   +0 :              -0.00001309696299
                   +1 :               0.00000359922261
                   +2 :              -0.00001814268502
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001147402105
                2s
                   +0 :               0.00011516517053
                3s
                   +0 :              -0.00001108029266
                2p
                   -1 :               0.00000781832146
                   +0 :               0.00002326678800
                   +1 :              -0.00016614855503
                3p
                   -1 :              -0.00002478050349
                   +0 :              -0.00003514433507
                   +1 :               0.00023615368507
                3d
                   -2 :               0.00000212538804
                   -1 :               0.00001051995187
                   +0 :              -0.00001112933285
                   +1 :               0.00000501818699
                   +2 :               0.00001694785278
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000410980572
                2s
                   +0 :              -0.00005895113178
                3s
                   +0 :               0.00000428130933
                2p
                   -1 :              -0.00000291399385
                   +0 :              -0.00002476836966
                   +1 :               0.00000711783381
                3p
                   -1 :               0.00000921441735
                   +0 :               0.00000728744410
                   +1 :               0.00001715681233
                3d
                   -2 :              -0.00000394844772
                   -1 :               0.00000099605607
                   +0 :              -0.00000133981147
                   +1 :              -0.00000079359119
                   +2 :              -0.00000217259619
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000072968813
                2s
                   +0 :               0.00000177385368
                3s
                   +0 :              -0.00000431516543
                2p
                   -1 :               0.00002880246081
                   +0 :               0.00004066480158
                   +1 :               0.00000756865251
                3p
                   -1 :              -0.00002211410015
                   +0 :              -0.00004613025340
                   +1 :              -0.00000356872361
                3d
                   -2 :               0.00000117705353
                   -1 :              -0.00000397233425
                   +0 :               0.00000042850004
                   +1 :               0.00000484607606
                   +2 :               0.00000158968539
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000836286295
                2s
                   +0 :               0.00004770628007
                3s
                   +0 :              -0.00002634321212
                2p
                   -1 :              -0.00000103914248
                   +0 :               0.00003643457119
                   +1 :               0.00002203082582
                3p
                   -1 :               0.00001451597741
                   +0 :              -0.00001631661214
                   +1 :              -0.00002052249748
                3d
                   -2 :               0.00000167431389
                   -1 :               0.00000155148919
                   +0 :               0.00000334945851
                   +1 :               0.00000125744714
                   +2 :               0.00000292838454
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000726509499
                2s
                   +0 :               0.00007645795994
                3s
                   +0 :              -0.00001582692792
                2p
                   -1 :               0.00001439496541
                   +0 :               0.00002227242803
                   +1 :              -0.00000476452630
                3p
                   -1 :               0.00001422702975
                   +0 :              -0.00000690628979
                   +1 :               0.00000375119487
                3d
                   -2 :               0.00000097707213
                   -1 :               0.00000034701141
                   +0 :               0.00000089758970
                   +1 :               0.00000115357284
                   +2 :              -0.00000319826137
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000263672551
                2s
                   +0 :              -0.00003096421411
                3s
                   +0 :               0.00000317858746
                2p
                   -1 :              -0.00000942102017
                   +0 :               0.00000887860670
                   +1 :              -0.00001372185252
                3p
                   -1 :               0.00001305535457
                   +0 :              -0.00002324771672
                   +1 :               0.00000459756147
                3d
                   -2 :               0.00000233502894
                   -1 :               0.00000091594946
                   +0 :               0.00000012492031
                   +1 :              -0.00000055572522
                   +2 :               0.00000336583203
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000277520785
                2s
                   +0 :              -0.00000334207076
                3s
                   +0 :               0.00001194150659
                2p
                   -1 :               0.00000961156277
                   +0 :              -0.00000975449856
                   +1 :               0.00001305740425
                3p
                   -1 :              -0.00000714122569
                   +0 :              -0.00000527746662
                   +1 :               0.00000391208356
                3d
                   -2 :               0.00000207167587
                   -1 :              -0.00000267050473
                   +0 :              -0.00000359593452
                   +1 :              -0.00000029483387
                   +2 :               0.00000227240665
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 29)  npairs=  12
              1 vec=     4.768202      0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00030194879830
                2s
                   +0 :               0.00363786009376
                3s
                   +0 :              -0.00043670080316
                2p
                   -1 :              -0.00143524258126
                   +0 :              -0.01052858499579
                   +1 :              -0.00122614069909
                3p
                   -1 :               0.00136919253274
                   +0 :              -0.00331975534945
                   +1 :               0.00305997159568
                3d
                   -2 :              -0.00000734111541
                   -1 :              -0.00013476518851
                   +0 :               0.00006535561365
                   +1 :              -0.00201495616423
                   +2 :               0.00039242932079
              2 vec=    -3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00177314965467
                2s
                   +0 :              -0.01147997166332
                3s
                   +0 :               0.00509476188731
                2p
                   -1 :               0.00635203504873
                   +0 :              -0.00087834636637
                   +1 :               0.00366421913133
                3p
                   -1 :              -0.00380013004679
                   +0 :              -0.00320942870717
                   +1 :              -0.00216124940616
                3d
                   -2 :              -0.00000848680948
                   -1 :               0.00060685122476
                   +0 :              -0.00027309383429
                   +1 :               0.00012227207978
                   +2 :              -0.00030765643613
              3 vec=    -3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00155634424980
                2s
                   +0 :               0.00897002417972
                3s
                   +0 :              -0.00422692329286
                2p
                   -1 :               0.00412433184578
                   +0 :              -0.00623024139238
                   +1 :              -0.00785834948202
                3p
                   -1 :              -0.00270892817156
                   +0 :               0.00148627646308
                   +1 :               0.00581023412257
                3d
                   -2 :               0.00037926113818
                   -1 :              -0.00056410549315
                   +0 :               0.00043619775277
                   +1 :               0.00074712806192
                   +2 :              -0.00011988112621
              4 vec=     4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00002086213978
                2s
                   +0 :              -0.00060396326068
                3s
                   +0 :              -0.00004319611665
                2p
                   -1 :               0.00041291291113
                   +0 :              -0.00051960331848
                   +1 :              -0.00134429068437
                3p
                   -1 :              -0.00005819372085
                   +0 :              -0.00002795943820
                   +1 :               0.00095848023698
                3d
                   -2 :              -0.00007947300448
                   -1 :               0.00003141242383
                   +0 :               0.00002315005523
                   +1 :              -0.00002755627821
                   +2 :               0.00002472556229
              5 vec=     4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00003879527242
                2s
                   +0 :               0.00051217814619
                3s
                   +0 :               0.00021214743356
                2p
                   -1 :               0.00132087545685
                   +0 :               0.00013382621100
                   +1 :               0.00081587684388
                3p
                   -1 :              -0.00058542563499
                   +0 :              -0.00057724087691
                   +1 :              -0.00038620236731
                3d
                   -2 :              -0.00004073839774
                   -1 :              -0.00012499127327
                   +0 :               0.00010657846154
                   +1 :              -0.00000444218633
                   +2 :              -0.00004773458981
              6 vec=   -10.792123     -0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00016441435104
                2s
                   +0 :               0.00071529099123
                3s
                   +0 :              -0.00049165681047
                2p
                   -1 :              -0.00004209812176
                   +0 :               0.00017970394715
                   +1 :              -0.00079143810617
                3p
                   -1 :              -0.00000349150497
                   +0 :              -0.00050031747923
                   +1 :               0.00081936059266
                3d
                   -2 :              -0.00003351391472
                   -1 :               0.00002315831498
                   +0 :               0.00001934428918
                   +1 :               0.00003989708923
                   +2 :              -0.00006205583951
              7 vec=    12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00003874194690
                2s
                   +0 :               0.00023956393836
                3s
                   +0 :              -0.00013732795975
                2p
                   -1 :              -0.00014966513026
                   +0 :              -0.00033554363547
                   +1 :              -0.00018349599630
                3p
                   -1 :               0.00008152658936
                   +0 :               0.00024683087514
                   +1 :               0.00011871423728
                3d
                   -2 :               0.00000581860212
                   -1 :               0.00001202041901
                   +0 :               0.00001118079171
                   +1 :              -0.00000614675402
                   +2 :              -0.00001036206418
              8 vec=    12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00006036073027
                2s
                   +0 :               0.00041661773368
                3s
                   +0 :              -0.00018712088433
                2p
                   -1 :               0.00033920349002
                   +0 :              -0.00015044568888
                   +1 :               0.00035849903699
                3p
                   -1 :              -0.00024068953960
                   +0 :               0.00004033749158
                   +1 :              -0.00026181700937
                3d
                   -2 :              -0.00002059031794
                   -1 :               0.00000165142065
                   +0 :              -0.00001686856021
                   +1 :               0.00000820328223
                   +2 :              -0.00000225285565
              9 vec=    -3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005609554672
                2s
                   +0 :              -0.00038195688210
                3s
                   +0 :               0.00012999790069
                2p
                   -1 :               0.00041203953686
                   +0 :               0.00014544712830
                   +1 :              -0.00002275624761
                3p
                   -1 :              -0.00023884301820
                   +0 :              -0.00013057086404
                   +1 :               0.00000030348411
                3d
                   -2 :               0.00001049042025
                   -1 :               0.00000047007179
                   +0 :              -0.00000335405255
                   +1 :               0.00000406588573
                   +2 :               0.00000784256631
             10 vec=    -3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00001520838707
                2s
                   +0 :               0.00011633965420
                3s
                   +0 :              -0.00002875289788
                2p
                   -1 :               0.00005180669629
                   +0 :               0.00012216608931
                   +1 :               0.00018289634278
                3p
                   -1 :              -0.00001876847103
                   +0 :              -0.00012294785090
                   +1 :              -0.00018054961703
                3d
                   -2 :              -0.00001378677072
                   -1 :               0.00000172807466
                   +0 :              -0.00001879308775
                   +1 :               0.00000944675300
                   +2 :               0.00000852024510
             11 vec=   -10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00001184885378
                2s
                   +0 :               0.00003269591602
                3s
                   +0 :              -0.00009522928569
                2p
                   -1 :              -0.00035049229373
                   +0 :              -0.00006010907221
                   +1 :               0.00003140693644
                3p
                   -1 :               0.00027701978554
                   +0 :               0.00003427074586
                   +1 :               0.00003825869001
                3d
                   -2 :              -0.00000925845113
                   -1 :               0.00001246786706
                   +0 :               0.00002265362637
                   +1 :              -0.00001096347649
                   +2 :               0.00000419523546
             12 vec=   -10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00001036848603
                2s
                   +0 :               0.00001648177377
                3s
                   +0 :              -0.00001027215634
                2p
                   -1 :              -0.00001800975779
                   +0 :               0.00004806112372
                   +1 :              -0.00003155070995
                3p
                   -1 :              -0.00002229885516
                   +0 :              -0.00008085491095
                   +1 :               0.00002969105862
                3d
                   -2 :              -0.00000753305684
                   -1 :               0.00000570609178
                   +0 :              -0.00000396468343
                   +1 :               0.00000606428467
                   +2 :               0.00000498927379
WF             site_B          number of pairs
WF( 52)=[O_16_2pz]  to site O ( 30)  npairs=  12
              1 vec=     2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00027839841935
                2s
                   +0 :              -0.00293721867592
                3s
                   +0 :               0.00047233687385
                2p
                   -1 :              -0.00244815279295
                   +0 :              -0.01019673034608
                   +1 :               0.00009725917244
                3p
                   -1 :               0.00324781159083
                   +0 :              -0.00359403400906
                   +1 :              -0.00063833749134
                3d
                   -2 :               0.00031306348614
                   -1 :               0.00179776778952
                   +0 :              -0.00006758046285
                   +1 :              -0.00089559634180
                   +2 :               0.00021045981904
              2 vec=    -5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00153670040367
                2s
                   +0 :              -0.00857563702373
                3s
                   +0 :               0.00421511502389
                2p
                   -1 :              -0.00439957078808
                   +0 :              -0.00661115181611
                   +1 :               0.00702292932249
                3p
                   -1 :               0.00347718560183
                   +0 :               0.00173868616372
                   +1 :              -0.00514793993722
                3d
                   -2 :              -0.00026790592810
                   -1 :              -0.00038231068038
                   +0 :              -0.00043894112332
                   +1 :               0.00085148226426
                   +2 :               0.00028321703171
              3 vec=     2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00189227786726
                2s
                   +0 :               0.01249851938681
                3s
                   +0 :              -0.00542160871872
                2p
                   -1 :               0.00709635580358
                   +0 :              -0.00033428491024
                   +1 :               0.00417962590481
                3p
                   -1 :              -0.00388820882863
                   +0 :              -0.00361270991452
                   +1 :              -0.00234473900321
                3d
                   -2 :              -0.00027261246522
                   -1 :              -0.00042882009715
                   +0 :               0.00024511435080
                   +1 :              -0.00051484525707
                   +2 :              -0.00019118966244
              4 vec=    -5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00000672293168
                2s
                   +0 :              -0.00086753362332
                3s
                   +0 :              -0.00015824803460
                2p
                   -1 :               0.00128509208996
                   +0 :               0.00007304599515
                   +1 :               0.00066292678926
                3p
                   -1 :              -0.00059712567388
                   +0 :              -0.00052252898576
                   +1 :              -0.00022999372316
                3d
                   -2 :              -0.00003103146661
                   -1 :               0.00007399248542
                   +0 :              -0.00011780457956
                   +1 :               0.00010205879869
                   +2 :              -0.00006918441094
              5 vec=    10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00001644529121
                2s
                   +0 :               0.00024907689788
                3s
                   +0 :               0.00009186934370
                2p
                   -1 :              -0.00076357288974
                   +0 :              -0.00057966139432
                   +1 :               0.00102409200314
                3p
                   -1 :               0.00070263041158
                   +0 :               0.00002766571939
                   +1 :              -0.00050290779992
                3d
                   -2 :               0.00006410917740
                   -1 :              -0.00000002203741
                   +0 :              -0.00003704239028
                   +1 :              -0.00002531874994
                   +2 :              -0.00005487535739
              6 vec=    -5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00018649949658
                2s
                   +0 :              -0.00087826429458
                3s
                   +0 :               0.00055335835994
                2p
                   -1 :              -0.00072637695068
                   +0 :               0.00013482065540
                   +1 :               0.00032636403373
                3p
                   -1 :               0.00074269038602
                   +0 :              -0.00045235779645
                   +1 :              -0.00041354734141
                3d
                   -2 :              -0.00003867915561
                   -1 :              -0.00004914151164
                   +0 :              -0.00002084866434
                   +1 :               0.00000199478339
                   +2 :              -0.00006266033718
              7 vec=     2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00006437653452
                2s
                   +0 :              -0.00046577493108
                3s
                   +0 :               0.00018891836212
                2p
                   -1 :               0.00052064347214
                   +0 :              -0.00009198026323
                   +1 :               0.00009405239849
                3p
                   -1 :              -0.00033861833762
                   +0 :               0.00001633833128
                   +1 :              -0.00005321868011
                3d
                   -2 :               0.00000610194551
                   -1 :              -0.00000657802008
                   +0 :               0.00001494610382
                   +1 :               0.00000501865334
                   +2 :              -0.00001616507802
              8 vec=    10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00003234421868
                2s
                   +0 :              -0.00022552976575
                3s
                   +0 :               0.00009983238419
                2p
                   -1 :              -0.00036505874741
                   +0 :              -0.00042671458871
                   +1 :              -0.00004702789026
                3p
                   -1 :               0.00023383437011
                   +0 :               0.00029275822686
                   +1 :               0.00001945145652
                3d
                   -2 :              -0.00001027540516
                   -1 :              -0.00000730384405
                   +0 :              -0.00000845282689
                   +1 :              -0.00001105912333
                   +2 :               0.00000051844224
              9 vec=   -13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00000958112321
                2s
                   +0 :              -0.00009086369025
                3s
                   +0 :               0.00001577454461
                2p
                   -1 :               0.00014657509271
                   +0 :               0.00018254489756
                   +1 :              -0.00002814514650
                3p
                   -1 :              -0.00013024576376
                   +0 :              -0.00015029843203
                   +1 :               0.00004449411118
                3d
                   -2 :               0.00001363250240
                   -1 :              -0.00000776835350
                   +0 :               0.00001878940201
                   +1 :               0.00000226430017
                   +2 :              -0.00000745459576
             10 vec=    10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005292866232
                2s
                   +0 :               0.00033909987810
                3s
                   +0 :              -0.00013067750399
                2p
                   -1 :               0.00017561962037
                   +0 :               0.00014294231478
                   +1 :               0.00029471910408
                3p
                   -1 :              -0.00013296414613
                   +0 :              -0.00015670673606
                   +1 :              -0.00018021134067
                3d
                   -2 :              -0.00000406303372
                   -1 :              -0.00000701901210
                   +0 :               0.00000203272039
                   +1 :               0.00000127675213
                   +2 :               0.00001072210316
             11 vec=   -13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000638862963
                2s
                   +0 :              -0.00000310861960
                3s
                   +0 :              -0.00000150476519
                2p
                   -1 :              -0.00008214200262
                   +0 :               0.00005376755229
                   +1 :              -0.00000164620542
                3p
                   -1 :               0.00005837610536
                   +0 :              -0.00008440327534
                   +1 :              -0.00002582375574
                3d
                   -2 :               0.00000766064479
                   -1 :              -0.00000577088114
                   +0 :               0.00000438843824
                   +1 :              -0.00000216654595
                   +2 :              -0.00000393756068
             12 vec=     2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00003222610783
                2s
                   +0 :              -0.00018907137614
                3s
                   +0 :               0.00014588417854
                2p
                   -1 :              -0.00018755760117
                   +0 :              -0.00005714362632
                   +1 :              -0.00031010755051
                3p
                   -1 :               0.00017471052431
                   +0 :               0.00002857546875
                   +1 :               0.00022844674545
                3d
                   -2 :               0.00001102778122
                   -1 :               0.00000327096228
                   +0 :              -0.00002427999899
                   +1 :              -0.00001288590641
                   +2 :              -0.00000411610441
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al(  1)  npairs=  14
              1 vec=    -0.209286      3.115418     -1.580534   |vec|=    3.499674
                2s
                   +0 :              -0.00170774415305
                2p
                   -1 :              -0.00268913242177
                   +0 :               0.00188078810249
                   +1 :              -0.00758998062467
                3s
                   +0 :              -0.01931741616319
                4s
                   +0 :               0.00373612480469
                3p
                   -1 :              -0.01682040511947
                   +0 :               0.00198685082617
                   +1 :              -0.03862884739964
                4p
                   -1 :               0.00031904565473
                   +0 :               0.00072853951679
                   +1 :              -0.00155276909575
                3d
                   -2 :              -0.03241561440792
                   -1 :               0.00593892924409
                   +0 :               0.00137285343800
                   +1 :               0.01770736906241
                   +2 :               0.00985949323127
              2 vec=    -0.209286     -5.868340     -1.580534   |vec|=    6.081062
                2s
                   +0 :              -0.00086978572217
                2p
                   -1 :               0.00157182371039
                   +0 :              -0.00079562382954
                   +1 :               0.00076960400482
                3s
                   +0 :               0.00529053496929
                4s
                   +0 :              -0.00150211504310
                3p
                   -1 :              -0.00481936165824
                   +0 :               0.00538594603849
                   +1 :              -0.00373979401082
                4p
                   -1 :               0.00181909749176
                   +0 :              -0.00180489754473
                   +1 :               0.00206688097750
                3d
                   -2 :              -0.00217920311683
                   -1 :              -0.00117815364894
                   +0 :               0.00014205623378
                   +1 :              -0.00035523102246
                   +2 :               0.00209307284954
              3 vec=     7.570876     -1.376461     -1.580534   |vec|=    7.855629
                2s
                   +0 :              -0.00013880154486
                2p
                   -1 :              -0.00000226252375
                   +0 :               0.00017540944893
                   +1 :              -0.00066962168178
                3s
                   +0 :               0.01642740674006
                4s
                   +0 :              -0.00037390732435
                3p
                   -1 :              -0.00816971803397
                   +0 :              -0.01087399319276
                   +1 :               0.00630758847226
                4p
                   -1 :              -0.00019703587497
                   +0 :               0.00054845228512
                   +1 :              -0.00023200041416
                3d
                   -2 :              -0.00329012147625
                   -1 :               0.00285235782846
                   +0 :               0.00118892413953
                   +1 :              -0.00362446253098
                   +2 :              -0.00136987420824
              4 vec=    -7.989449     -1.376461     -1.580534   |vec|=    8.259784
                2s
                   +0 :               0.00060593316324
                2p
                   -1 :              -0.00084284983790
                   +0 :              -0.00031224964335
                   +1 :               0.00091461075368
                3s
                   +0 :              -0.00965813758206
                4s
                   +0 :               0.00142920531080
                3p
                   -1 :               0.01065695653373
                   +0 :               0.00754966126167
                   +1 :              -0.00438818921567
                4p
                   -1 :              -0.00134850142593
                   +0 :              -0.00099236599095
                   +1 :               0.00092619063279
                3d
                   -2 :              -0.00119233246216
                   -1 :              -0.00394279132146
                   +0 :              -0.00140362758010
                   +1 :              -0.00078787897523
                   +2 :               0.00382540788849
              5 vec=     7.570876      7.607297     -1.580534   |vec|=   10.848374
                2s
                   +0 :              -0.00022363664606
                2p
                   -1 :              -0.00022253337077
                   +0 :               0.00010171363122
                   +1 :               0.00015308261357
                3s
                   +0 :               0.00220646165523
                4s
                   +0 :              -0.00023600991766
                3p
                   -1 :               0.00205789217234
                   +0 :              -0.00107689003255
                   +1 :              -0.00067788082131
                4p
                   -1 :              -0.00024743041446
                   +0 :               0.00009947430735
                   +1 :               0.00009969995309
                3d
                   -2 :              -0.00008716009172
                   -1 :              -0.00037993887716
                   +0 :              -0.00021197713096
                   +1 :              -0.00001422625596
                   +2 :              -0.00041920414228
              6 vec=    -7.989449      7.607297     -1.580534   |vec|=   11.144521
                2s
                   +0 :               0.00052064244464
                2p
                   -1 :              -0.00001401451231
                   +0 :               0.00005223437788
                   +1 :              -0.00022473670794
                3s
                   +0 :              -0.00372697627315
                4s
                   +0 :               0.00074061472608
                3p
                   -1 :              -0.00135166922117
                   +0 :               0.00061581170197
                   +1 :               0.00177870245136
                4p
                   -1 :              -0.00002348867390
                   +0 :              -0.00007601125612
                   +1 :              -0.00042790205867
                3d
                   -2 :               0.00036225270806
                   -1 :               0.00047002128738
                   +0 :              -0.00006358376995
                   +1 :               0.00005225274794
                   +2 :              -0.00012796845650
              7 vec=    -0.209286     12.099176     -1.580534   |vec|=   12.203767
                2s
                   +0 :               0.00018678964024
                2p
                   -1 :               0.00014625089901
                   +0 :              -0.00017818137742
                   +1 :               0.00005697912024
                3s
                   +0 :              -0.00016475078782
                4s
                   +0 :               0.00000685142496
                3p
                   -1 :              -0.00036461306668
                   +0 :               0.00066877073690
                   +1 :              -0.00004234372932
                4p
                   -1 :               0.00007826180543
                   +0 :              -0.00016540528486
                   +1 :               0.00009681573855
                3d
                   -2 :               0.00023921792945
                   -1 :               0.00011194662343
                   +0 :               0.00006049650408
                   +1 :              -0.00005689073065
                   +2 :               0.00007789717646
              8 vec=     7.570876    -10.360219     -1.580534   |vec|=   12.928666
                2s
                   +0 :              -0.00026991582066
                2p
                   -1 :              -0.00001967811152
                   +0 :              -0.00005629862222
                   +1 :               0.00013077084490
                3s
                   +0 :               0.00180349407340
                4s
                   +0 :              -0.00029583606734
                3p
                   -1 :               0.00025686052318
                   +0 :              -0.00068842737889
                   +1 :               0.00028518575229
                4p
                   -1 :              -0.00003655629774
                   +0 :               0.00005805132771
                   +1 :               0.00014561824625
                3d
                   -2 :               0.00028090303461
                   -1 :              -0.00004715797583
                   +0 :               0.00009498617698
                   +1 :              -0.00043894225433
                   +2 :               0.00021870643095
              9 vec=    -7.989449    -10.360219     -1.580534   |vec|=   13.178146
                2s
                   +0 :               0.00017510741167
                2p
                   -1 :              -0.00005632125807
                   +0 :              -0.00013867296019
                   +1 :               0.00009505921271
                3s
                   +0 :              -0.00204790117582
                4s
                   +0 :               0.00003596697657
                3p
                   -1 :               0.00046499660563
                   +0 :               0.00198237815689
                   +1 :               0.00072566729124
                4p
                   -1 :               0.00005386874646
                   +0 :              -0.00035549620456
                   +1 :               0.00015581227888
                3d
                   -2 :              -0.00012159347662
                   -1 :              -0.00042505306633
                   +0 :              -0.00018297841100
                   +1 :              -0.00071305140738
                   +2 :              -0.00025626737632
             10 vec=    -0.209286    -14.852098     -1.580534   |vec|=   14.937427
                2s
                   +0 :              -0.00003305109367
                2p
                   -1 :               0.00005064033272
                   +0 :               0.00001114914543
                   +1 :              -0.00001384273798
                3s
                   +0 :               0.00025314861782
                4s
                   +0 :              -0.00014053358890
                3p
                   -1 :              -0.00040680601696
                   +0 :              -0.00008998066715
                   +1 :              -0.00007262230156
                4p
                   -1 :               0.00014051813824
                   +0 :               0.00003134807660
                   +1 :              -0.00003241773018
                3d
                   -2 :              -0.00002345029194
                   -1 :               0.00005113919655
                   +0 :              -0.00001748419265
                   +1 :               0.00009460192035
                   +2 :              -0.00005882616842
             11 vec=    15.351039      3.115418     -1.580534   |vec|=   15.743516
                2s
                   +0 :              -0.00016649597916
                2p
                   -1 :              -0.00001607071938
                   +0 :               0.00002878511809
                   +1 :              -0.00009330325040
                3s
                   +0 :               0.00060212301540
                4s
                   +0 :              -0.00025279423266
                3p
                   -1 :               0.00018047930410
                   +0 :              -0.00020898816160
                   +1 :               0.00050332162425
                4p
                   -1 :              -0.00006325124939
                   +0 :               0.00005739897850
                   +1 :              -0.00012787948968
                3d
                   -2 :               0.00011856961758
                   -1 :              -0.00002717304707
                   +0 :              -0.00007299960325
                   +1 :              -0.00006543516344
                   +2 :               0.00006649175199
             12 vec=   -15.769612      3.115418     -1.580534   |vec|=   16.151921
                2s
                   +0 :               0.00005842253878
                2p
                   -1 :              -0.00003797581134
                   +0 :               0.00001176207146
                   +1 :               0.00000214822162
                3s
                   +0 :              -0.00013440931914
                4s
                   +0 :              -0.00006444586453
                3p
                   -1 :               0.00026704862166
                   +0 :              -0.00002822230804
                   +1 :              -0.00018977274998
                4p
                   -1 :              -0.00010591340384
                   +0 :               0.00003412239782
                   +1 :               0.00012653819867
                3d
                   -2 :              -0.00007877312633
                   -1 :              -0.00002136431529
                   +0 :               0.00003603073554
                   +1 :              -0.00002035690519
                   +2 :              -0.00004226495739
             13 vec=    15.351039     -5.868340     -1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00002610334353
                2p
                   -1 :               0.00001949991260
                   +0 :               0.00004368707976
                   +1 :              -0.00000922860779
                3s
                   +0 :               0.00011701197328
                4s
                   +0 :              -0.00001159119093
                3p
                   -1 :              -0.00007340283153
                   +0 :              -0.00024546231967
                   +1 :              -0.00000053357287
                4p
                   -1 :               0.00001917645447
                   +0 :               0.00003884280882
                   +1 :              -0.00000674721945
                3d
                   -2 :              -0.00001080423036
                   -1 :               0.00005940521987
                   +0 :               0.00000587746933
                   +1 :              -0.00003418247054
                   +2 :              -0.00000143075263
             14 vec=   -15.769612     -5.868340     -1.580534   |vec|=   16.900182
                2s
                   +0 :              -0.00000917337814
                2p
                   -1 :               0.00000417371213
                   +0 :               0.00001300902780
                   +1 :              -0.00000255892712
                3s
                   +0 :              -0.00021399202765
                4s
                   +0 :               0.00008596319766
                3p
                   -1 :               0.00004029673285
                   +0 :               0.00006359104603
                   +1 :               0.00016196934959
                4p
                   -1 :              -0.00003810213714
                   +0 :              -0.00000426705700
                   +1 :              -0.00004925601357
                3d
                   -2 :              -0.00000595908287
                   -1 :              -0.00000806976948
                   +0 :              -0.00000399268395
                   +1 :              -0.00003494586949
                   +2 :              -0.00000659678545
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al(  2)  npairs=  14
              1 vec=    -0.209286      3.115418      5.671791   |vec|=    6.474477
                2s
                   +0 :              -0.00023581117458
                2p
                   -1 :               0.00008698049258
                   +0 :              -0.00035554453566
                   +1 :               0.00078112409501
                3s
                   +0 :               0.00124034295063
                4s
                   +0 :              -0.00178824091656
                3p
                   -1 :               0.00068361253820
                   +0 :               0.00327921458148
                   +1 :              -0.00422454801322
                4p
                   -1 :              -0.00096336268220
                   +0 :              -0.00127433885495
                   +1 :               0.00089977468560
                3d
                   -2 :               0.00119155321864
                   -1 :               0.00027318222558
                   +0 :               0.00023237775921
                   +1 :               0.00219777001559
                   +2 :              -0.00057332119979
              2 vec=    -0.209286     -5.868340      5.671791   |vec|=    8.163972
                2s
                   +0 :              -0.00043022938167
                2p
                   -1 :              -0.00003013096426
                   +0 :              -0.00060113490854
                   +1 :              -0.00081733161164
                3s
                   +0 :              -0.00046918498284
                4s
                   +0 :               0.00088997429232
                3p
                   -1 :               0.00165952419375
                   +0 :               0.00346509417277
                   +1 :               0.00599107370802
                4p
                   -1 :              -0.00038901707554
                   +0 :              -0.00075991229354
                   +1 :              -0.00145073206960
                3d
                   -2 :              -0.00152858532036
                   -1 :              -0.00082229161442
                   +0 :               0.00060435991617
                   +1 :               0.00115081907716
                   +2 :               0.00043389417513
              3 vec=     7.570876     -1.376461      5.671791   |vec|=    9.559395
                2s
                   +0 :               0.00063058540698
                2p
                   -1 :               0.00090578445884
                   +0 :               0.00049293063783
                   +1 :              -0.00007889942543
                3s
                   +0 :              -0.00090961705724
                4s
                   +0 :               0.00004221910401
                3p
                   -1 :              -0.00500699273187
                   +0 :              -0.00131428713941
                   +1 :               0.00073786659954
                4p
                   -1 :               0.00117750342780
                   +0 :               0.00024909926427
                   +1 :              -0.00036953058157
                3d
                   -2 :              -0.00046893246745
                   -1 :              -0.00074900148613
                   +0 :               0.00040372304963
                   +1 :               0.00012815039622
                   +2 :               0.00036912360049
              4 vec=    -7.989449     -1.376461      5.671791   |vec|=    9.894198
                2s
                   +0 :              -0.00246206583562
                2p
                   -1 :              -0.00137979406160
                   +0 :               0.00005245229445
                   +1 :               0.00124896429125
                3s
                   +0 :               0.00677537921594
                4s
                   +0 :              -0.00183507384553
                3p
                   -1 :               0.00661589956280
                   +0 :              -0.00178408713576
                   +1 :              -0.00521657534754
                4p
                   -1 :              -0.00125564618084
                   +0 :               0.00117450345615
                   +1 :               0.00103281937124
                3d
                   -2 :              -0.00139269570861
                   -1 :               0.00071421069116
                   +0 :              -0.00090756238128
                   +1 :               0.00004757753721
                   +2 :               0.00026661133240
              5 vec=     7.570876      7.607297      5.671791   |vec|=   12.139125
                2s
                   +0 :               0.00023398692968
                2p
                   -1 :               0.00017065503792
                   +0 :               0.00016345880396
                   +1 :               0.00016741429941
                3s
                   +0 :              -0.00072206165485
                4s
                   +0 :               0.00050063147119
                3p
                   -1 :              -0.00118098666825
                   +0 :              -0.00028696170769
                   +1 :              -0.00072218312562
                4p
                   -1 :               0.00041933429523
                   +0 :               0.00012275376757
                   +1 :               0.00030033403918
                3d
                   -2 :              -0.00016871048167
                   -1 :              -0.00008030697158
                   +0 :               0.00010229619457
                   +1 :              -0.00004036515897
                   +2 :               0.00010045255065
              6 vec=    -7.989449      7.607297      5.671791   |vec|=   12.404494
                2s
                   +0 :              -0.00019693156156
                2p
                   -1 :              -0.00012878000020
                   +0 :              -0.00009187468060
                   +1 :               0.00016754978126
                3s
                   +0 :               0.00029252695141
                4s
                   +0 :              -0.00015329895443
                3p
                   -1 :               0.00057912074306
                   +0 :               0.00016454453407
                   +1 :              -0.00024543075544
                4p
                   -1 :              -0.00010977447260
                   +0 :               0.00001850123206
                   +1 :               0.00007369248205
                3d
                   -2 :              -0.00025356916553
                   -1 :               0.00021338600478
                   +0 :               0.00003216498668
                   +1 :              -0.00012332699992
                   +2 :              -0.00010289442676
              7 vec=    -0.209286     12.099176      5.671791   |vec|=   13.364246
                2s
                   +0 :              -0.00001363271325
                2p
                   -1 :               0.00000763785617
                   +0 :              -0.00004985619476
                   +1 :              -0.00000860314215
                3s
                   +0 :               0.00002753321351
                4s
                   +0 :               0.00002198790130
                3p
                   -1 :              -0.00003056442916
                   +0 :               0.00015919798321
                   +1 :              -0.00002348466022
                4p
                   -1 :               0.00003004003474
                   +0 :               0.00002912962613
                   +1 :              -0.00000758844543
                3d
                   -2 :              -0.00009375931023
                   -1 :               0.00004428246067
                   +0 :              -0.00000777431272
                   +1 :              -0.00005063017180
                   +2 :               0.00001983720650
              8 vec=     7.570876    -10.360219      5.671791   |vec|=   14.029310
                2s
                   +0 :               0.00048681545719
                2p
                   -1 :              -0.00021142418994
                   +0 :               0.00011713636392
                   +1 :              -0.00005534488224
                3s
                   +0 :              -0.00114939293295
                4s
                   +0 :               0.00019577519757
                3p
                   -1 :               0.00058024288628
                   +0 :              -0.00049002708469
                   +1 :               0.00037634924642
                4p
                   -1 :              -0.00002989026969
                   +0 :               0.00014051872254
                   +1 :              -0.00016065102810
                3d
                   -2 :              -0.00002619514669
                   -1 :               0.00021594990434
                   +0 :               0.00002049836608
                   +1 :               0.00005475431779
                   +2 :               0.00009435579276
              9 vec=    -7.989449    -10.360219      5.671791   |vec|=   14.259546
                2s
                   +0 :              -0.00007109825964
                2p
                   -1 :               0.00003297235726
                   +0 :              -0.00005394892938
                   +1 :               0.00010935549363
                3s
                   +0 :               0.00040631008745
                4s
                   +0 :              -0.00023363511036
                3p
                   -1 :              -0.00023227979770
                   +0 :               0.00017663336664
                   +1 :              -0.00073651399516
                4p
                   -1 :               0.00010907494076
                   +0 :              -0.00006136121083
                   +1 :               0.00022704300483
                3d
                   -2 :               0.00000483897218
                   -1 :               0.00003738089388
                   +0 :              -0.00011647304733
                   +1 :              -0.00010362507025
                   +2 :               0.00003738967262
             10 vec=    -0.209286    -14.852098      5.671791   |vec|=   15.899618
                2s
                   +0 :              -0.00006948940391
                2p
                   -1 :               0.00005262741278
                   +0 :              -0.00005320798137
                   +1 :               0.00002244599129
                3s
                   +0 :               0.00022766247383
                4s
                   +0 :              -0.00002890242502
                3p
                   -1 :              -0.00031156089286
                   +0 :               0.00024721255427
                   +1 :              -0.00011587257974
                4p
                   -1 :               0.00005390740862
                   +0 :              -0.00005430025236
                   +1 :               0.00002949923365
                3d
                   -2 :               0.00001451280740
                   -1 :              -0.00005137046120
                   +0 :              -0.00004102708397
                   +1 :              -0.00005054672355
                   +2 :              -0.00008795827787
             11 vec=    15.351039      3.115418      5.671791   |vec|=   16.659215
                2s
                   +0 :               0.00007616345899
                2p
                   -1 :               0.00001695229507
                   +0 :               0.00004491435492
                   +1 :               0.00004719286017
                3s
                   +0 :              -0.00004919821191
                4s
                   +0 :               0.00002466942754
                3p
                   -1 :               0.00000016160982
                   +0 :              -0.00019710727048
                   +1 :              -0.00010612265284
                4p
                   -1 :               0.00000194786248
                   +0 :               0.00002528565438
                   +1 :               0.00002424560369
                3d
                   -2 :              -0.00003018804688
                   -1 :              -0.00003263601102
                   +0 :              -0.00002013621019
                   +1 :              -0.00009810926303
                   +2 :              -0.00003943351962
             12 vec=   -15.769612      3.115418      5.671791   |vec|=   17.045694
                2s
                   +0 :              -0.00015471709485
                2p
                   -1 :              -0.00006645913311
                   +0 :              -0.00004731290133
                   +1 :               0.00008462891895
                3s
                   +0 :               0.00049801992857
                4s
                   +0 :              -0.00019367764373
                3p
                   -1 :               0.00031075482335
                   +0 :               0.00022216552295
                   +1 :              -0.00045801778543
                4p
                   -1 :              -0.00006420479526
                   +0 :              -0.00005046698107
                   +1 :               0.00012837612380
                3d
                   -2 :              -0.00009192064263
                   -1 :               0.00008011148375
                   +0 :              -0.00000073125800
                   +1 :              -0.00011509656727
                   +2 :               0.00003379489252
             13 vec=    15.351039     -5.868340      5.671791   |vec|=   17.385656
                2s
                   +0 :              -0.00002864524097
                2p
                   -1 :              -0.00001059983128
                   +0 :               0.00002015044761
                   +1 :              -0.00004180875202
                3s
                   +0 :               0.00011522839506
                4s
                   +0 :              -0.00005401054631
                3p
                   -1 :               0.00006262281107
                   +0 :              -0.00003991185441
                   +1 :               0.00020071601005
                4p
                   -1 :              -0.00001508400871
                   +0 :              -0.00001447547774
                   +1 :              -0.00006131259624
                3d
                   -2 :              -0.00001029956674
                   -1 :               0.00000776296315
                   +0 :               0.00002762339664
                   +1 :               0.00001171781941
                   +2 :               0.00001555217963
             14 vec=   -15.769612     -5.868340      5.671791   |vec|=   17.756331
                2s
                   +0 :               0.00001387005656
                2p
                   -1 :              -0.00000452139728
                   +0 :               0.00001509860467
                   +1 :               0.00000413175779
                3s
                   +0 :              -0.00011975830884
                4s
                   +0 :               0.00004516972532
                3p
                   -1 :              -0.00001726377551
                   +0 :              -0.00001381033487
                   +1 :               0.00004582335216
                4p
                   -1 :               0.00003069800366
                   +0 :              -0.00003151459470
                   +1 :              -0.00002325615192
                3d
                   -2 :              -0.00001251480337
                   -1 :               0.00004439214139
                   +0 :              -0.00000144634727
                   +1 :              -0.00001642137499
                   +2 :               0.00007036412212
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Cr(  3)  npairs=  13
              1 vec=    -0.209286      3.115418     -6.601980   |vec|=    7.303134
                3s
                   +0 :              -0.00347711318209
                3p
                   -1 :              -0.00132970753316
                   +0 :               0.00128508534125
                   +1 :               0.00022048161205
                4s
                   +0 :               0.00695064616337
                5s
                   +0 :              -0.00078641698601
                3d
                   -2 :               0.00242102183083
                   -1 :               0.00040197259288
                   +0 :               0.00031959261538
                   +1 :              -0.00215620190211
                   +2 :              -0.00051034779142
                4d
                   -2 :               0.00060765787553
                   -1 :              -0.00100843525696
                   +0 :               0.00012520205575
                   +1 :              -0.00119160261481
                   +2 :               0.00022657650497
                4p
                   -1 :               0.00239584577106
                   +0 :              -0.00242093795222
                   +1 :               0.00203088892921
              2 vec=    -0.209286     -5.868340     -6.601980   |vec|=    8.835573
                3s
                   +0 :               0.00024887082958
                3p
                   -1 :              -0.00044426246456
                   +0 :              -0.00034298779658
                   +1 :               0.00020831201046
                4s
                   +0 :               0.00138483436994
                5s
                   +0 :              -0.00055452009511
                3d
                   -2 :               0.00121176946270
                   -1 :              -0.00099673182686
                   +0 :              -0.00026394579617
                   +1 :              -0.00005976192641
                   +2 :               0.00094169535176
                4d
                   -2 :               0.00090310338633
                   -1 :               0.00079938491920
                   +0 :               0.00013020577711
                   +1 :               0.00064549808297
                   +2 :              -0.00098816723929
                4p
                   -1 :              -0.00009678831622
                   +0 :               0.00000595608136
                   +1 :              -0.00083877776614
              3 vec=     7.570876     -1.376461     -6.601980   |vec|=   10.138982
                3s
                   +0 :               0.00004039572480
                3p
                   -1 :              -0.00022068136920
                   +0 :               0.00036442997572
                   +1 :               0.00007175837259
                4s
                   +0 :              -0.00144393695296
                5s
                   +0 :               0.00045419209229
                3d
                   -2 :              -0.00059251516123
                   -1 :               0.00027659437633
                   +0 :              -0.00012483127337
                   +1 :              -0.00015926683304
                   +2 :               0.00131064655801
                4d
                   -2 :               0.00027583203915
                   -1 :              -0.00033648541540
                   +0 :               0.00007979662844
                   +1 :               0.00038989710182
                   +2 :              -0.00076415274940
                4p
                   -1 :               0.00105838927031
                   +0 :              -0.00038247447864
                   +1 :              -0.00053036378267
              4 vec=    -7.989449     -1.376461     -6.601980   |vec|=   10.455242
                3s
                   +0 :              -0.00160273866477
                3p
                   -1 :               0.00003865415418
                   +0 :               0.00039181835095
                   +1 :               0.00044060629467
                4s
                   +0 :               0.00403583330448
                5s
                   +0 :              -0.00040541405752
                3d
                   -2 :              -0.00017459407062
                   -1 :               0.00022622089383
                   +0 :              -0.00036747115662
                   +1 :               0.00000229447232
                   +2 :              -0.00115485962957
                4d
                   -2 :              -0.00024110999815
                   -1 :              -0.00032025656354
                   +0 :               0.00030296739950
                   +1 :               0.00044488328863
                   +2 :               0.00060051615513
                4p
                   -1 :              -0.00037640956216
                   +0 :              -0.00107614055021
                   +1 :              -0.00109284699118
              5 vec=     7.570876      7.607297     -6.601980   |vec|=   12.600606
                3s
                   +0 :              -0.00051213332033
                3p
                   -1 :              -0.00009219554621
                   +0 :               0.00031719499358
                   +1 :              -0.00022901421348
                4s
                   +0 :               0.00088223320408
                5s
                   +0 :              -0.00011491445820
                3d
                   -2 :              -0.00029587266209
                   -1 :               0.00015082372653
                   +0 :              -0.00012937926113
                   +1 :               0.00056023785884
                   +2 :              -0.00016833938856
                4d
                   -2 :               0.00025200645140
                   -1 :              -0.00017082429033
                   +0 :               0.00000292768629
                   +1 :              -0.00049173935225
                   +2 :               0.00019960536567
                4p
                   -1 :               0.00010392743849
                   +0 :              -0.00057219903575
                   +1 :               0.00039916285195
              6 vec=    -7.989449      7.607297     -6.601980   |vec|=   12.856453
                3s
                   +0 :              -0.00011007086456
                3p
                   -1 :               0.00001456108873
                   +0 :               0.00010524254286
                   +1 :               0.00004908552507
                4s
                   +0 :               0.00062883135569
                5s
                   +0 :              -0.00006140548751
                3d
                   -2 :              -0.00003873858486
                   -1 :               0.00010746049862
                   +0 :              -0.00006606457387
                   +1 :               0.00005564899486
                   +2 :               0.00004605902585
                4d
                   -2 :              -0.00011627262733
                   -1 :              -0.00012010438333
                   +0 :               0.00011754079428
                   +1 :               0.00011716491801
                   +2 :              -0.00005681159837
                4p
                   -1 :               0.00008240573151
                   +0 :              -0.00037268082902
                   +1 :              -0.00025909261865
              7 vec=    -0.209286     12.099176     -6.601980   |vec|=   13.784774
                3s
                   +0 :               0.00003808812399
                3p
                   -1 :               0.00003328870895
                   +0 :              -0.00002892251458
                   +1 :              -0.00011722491798
                4s
                   +0 :               0.00008460071189
                5s
                   +0 :              -0.00004504953288
                3d
                   -2 :              -0.00001853037860
                   -1 :               0.00004160284650
                   +0 :              -0.00005344440641
                   +1 :              -0.00017106957108
                   +2 :              -0.00004993607798
                4d
                   -2 :               0.00001466566918
                   -1 :              -0.00002912206207
                   +0 :               0.00004133785715
                   +1 :              -0.00012783835426
                   +2 :               0.00000673532767
                4p
                   -1 :               0.00001960033381
                   +0 :               0.00003930061168
                   +1 :               0.00020194389503
              8 vec=     7.570876    -10.360219     -6.601980   |vec|=   14.430470
                3s
                   +0 :               0.00008921192265
                3p
                   -1 :               0.00005136423462
                   +0 :              -0.00007627614124
                   +1 :               0.00005321053131
                4s
                   +0 :              -0.00037510379105
                5s
                   +0 :               0.00008756469072
                3d
                   -2 :              -0.00017730450568
                   -1 :              -0.00022181157398
                   +0 :              -0.00001295922959
                   +1 :               0.00000962369030
                   +2 :               0.00012041703569
                4d
                   -2 :               0.00010957484525
                   -1 :              -0.00007546221682
                   +0 :               0.00001470786233
                   +1 :               0.00001840112087
                   +2 :               0.00004915629724
                4p
                   -1 :              -0.00001444176450
                   +0 :               0.00018446710749
                   +1 :              -0.00015580017057
              9 vec=    -7.989449    -10.360219     -6.601980   |vec|=   14.654405
                3s
                   +0 :               0.00025679433543
                3p
                   -1 :              -0.00005821732203
                   +0 :              -0.00003897797749
                   +1 :              -0.00004418394426
                4s
                   +0 :              -0.00038685004835
                5s
                   +0 :              -0.00001446114610
                3d
                   -2 :              -0.00014038370560
                   -1 :               0.00024203499618
                   +0 :              -0.00006350727695
                   +1 :               0.00006505867671
                   +2 :              -0.00020635413009
                4d
                   -2 :               0.00003732651139
                   -1 :              -0.00003646309230
                   +0 :               0.00010733629838
                   +1 :              -0.00005089168494
                   +2 :               0.00008134491593
                4p
                   -1 :               0.00013566465355
                   +0 :               0.00004315368478
                   +1 :               0.00006702025474
             10 vec=    -0.209286    -14.852098     -6.601980   |vec|=   16.254684
                3s
                   +0 :              -0.00008106149655
                3p
                   -1 :               0.00003488673010
                   +0 :               0.00001582727078
                   +1 :               0.00004208923741
                4s
                   +0 :               0.00011418205222
                5s
                   +0 :              -0.00000235441605
                3d
                   -2 :              -0.00003656227798
                   -1 :              -0.00005215016425
                   +0 :               0.00000428997111
                   +1 :               0.00003299798121
                   +2 :               0.00005596118369
                4d
                   -2 :               0.00001173780726
                   -1 :               0.00001225479470
                   +0 :              -0.00000817628880
                   +1 :               0.00002097259505
                   +2 :              -0.00003064168430
                4p
                   -1 :              -0.00005331609069
                   +0 :              -0.00002674420623
                   +1 :              -0.00007214688757
             11 vec=    15.351039      3.115418     -6.601980   |vec|=   16.998422
                3s
                   +0 :               0.00007024348694
                3p
                   -1 :               0.00004734858315
                   +0 :              -0.00004452554607
                   +1 :               0.00002459490097
                4s
                   +0 :              -0.00028392942352
                5s
                   +0 :               0.00001188368010
                3d
                   -2 :              -0.00010245947997
                   -1 :               0.00016065124629
                   +0 :               0.00003561611663
                   +1 :               0.00013028347101
                   +2 :              -0.00012036522800
                4d
                   -2 :              -0.00005413504402
                   -1 :               0.00001871189179
                   +0 :              -0.00001932264774
                   +1 :               0.00006367383193
                   +2 :              -0.00002298764775
                4p
                   -1 :              -0.00008460024943
                   +0 :               0.00012476118606
                   +1 :              -0.00009037490235
             12 vec=   -15.769612      3.115418     -6.601980   |vec|=   17.377359
                3s
                   +0 :              -0.00001574796153
                3p
                   -1 :              -0.00001950920489
                   +0 :               0.00000129032382
                   +1 :              -0.00002922477489
                4s
                   +0 :               0.00013114076640
                5s
                   +0 :              -0.00000178683374
                3d
                   -2 :              -0.00006441147020
                   -1 :              -0.00011205899723
                   +0 :              -0.00000786313130
                   +1 :               0.00011854439229
                   +2 :               0.00012062021514
                4d
                   -2 :              -0.00001786944680
                   -1 :              -0.00001171399606
                   +0 :               0.00000247680206
                   +1 :              -0.00000285065166
                   +2 :              -0.00000508748575
                4p
                   -1 :               0.00002110519255
                   +0 :              -0.00002213063494
                   +1 :               0.00002476414224
             13 vec=    15.351039     -5.868340     -6.601980   |vec|=   17.710956
                3s
                   +0 :               0.00000871013233
                3p
                   -1 :              -0.00002895281583
                   +0 :               0.00002206400236
                   +1 :              -0.00002804996721
                4s
                   +0 :              -0.00007181615541
                5s
                   +0 :               0.00001018500799
                3d
                   -2 :              -0.00001802895366
                   -1 :               0.00000181904935
                   +0 :              -0.00000333292124
                   +1 :              -0.00001229068868
                   +2 :              -0.00001305179140
                4d
                   -2 :               0.00000568378019
                   -1 :               0.00000335117214
                   +0 :              -0.00003002586090
                   +1 :              -0.00003079136801
                   +2 :               0.00002707005195
                4p
                   -1 :               0.00007045325571
                   +0 :              -0.00004597331402
                   +1 :               0.00004591741712
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al(  4)  npairs=  15
              1 vec=    -0.209286      3.115418     10.693237   |vec|=   11.139791
                2s
                   +0 :               0.00019240312869
                2p
                   -1 :              -0.00026927905036
                   +0 :               0.00001274427417
                   +1 :               0.00008483764582
                3s
                   +0 :              -0.00074840101478
                4s
                   +0 :               0.00010548730755
                3p
                   -1 :               0.00099255198475
                   +0 :               0.00011653736055
                   +1 :              -0.00092831814782
                4p
                   -1 :              -0.00031049303696
                   +0 :              -0.00018755744181
                   +1 :               0.00008746119657
                3d
                   -2 :               0.00022666583486
                   -1 :               0.00007470702090
                   +0 :               0.00019455081965
                   +1 :              -0.00010566683333
                   +2 :               0.00015613098911
              2 vec=    -0.209286     -5.868340     10.693237   |vec|=   12.199448
                2s
                   +0 :               0.00043157795680
                2p
                   -1 :              -0.00018354588515
                   +0 :               0.00014172241924
                   +1 :              -0.00029182677962
                3s
                   +0 :              -0.00116882613615
                4s
                   +0 :               0.00015071779528
                3p
                   -1 :               0.00076809202379
                   +0 :              -0.00046865192628
                   +1 :               0.00158353401969
                4p
                   -1 :              -0.00010474285329
                   +0 :               0.00001328816130
                   +1 :              -0.00022236519152
                3d
                   -2 :              -0.00018761898919
                   -1 :               0.00013371509434
                   +0 :               0.00013388642893
                   +1 :               0.00042169360039
                   +2 :               0.00002927854364
              3 vec=     7.570876     -1.376461     10.693237   |vec|=   13.174146
                2s
                   +0 :              -0.00024596094780
                2p
                   -1 :              -0.00010121465681
                   +0 :              -0.00005941708048
                   +1 :              -0.00005017817457
                3s
                   +0 :               0.00164717050770
                4s
                   +0 :              -0.00023132311766
                3p
                   -1 :               0.00038838713807
                   +0 :               0.00091981143461
                   +1 :               0.00083602147042
                4p
                   -1 :              -0.00023644318749
                   +0 :              -0.00005100739554
                   +1 :              -0.00005698965622
                3d
                   -2 :               0.00001767650464
                   -1 :               0.00003104175823
                   +0 :               0.00008699734289
                   +1 :               0.00028852447256
                   +2 :               0.00015406294032
              4 vec=    -7.989449     -1.376461     10.693237   |vec|=   13.419063
                2s
                   +0 :              -0.00016901672325
                2p
                   -1 :              -0.00006860684671
                   +0 :              -0.00011465579322
                   +1 :              -0.00004374608610
                3s
                   +0 :              -0.00085419270400
                4s
                   +0 :               0.00018277503371
                3p
                   -1 :               0.00056780793795
                   +0 :              -0.00055645199364
                   +1 :               0.00105431910040
                4p
                   -1 :               0.00003627533258
                   +0 :               0.00012877044650
                   +1 :              -0.00019692596087
                3d
                   -2 :              -0.00016783673505
                   -1 :               0.00030997325259
                   +0 :              -0.00021392951937
                   +1 :               0.00020305630970
                   +2 :              -0.00016567863851
              5 vec=    -0.209286      3.115418    -13.854306   |vec|=   14.201810
                2s
                   +0 :              -0.00007854121510
                2p
                   -1 :              -0.00000058198386
                   +0 :               0.00004022125960
                   +1 :               0.00003919518302
                3s
                   +0 :               0.00027094949220
                4s
                   +0 :              -0.00007842672784
                3p
                   -1 :              -0.00004289972396
                   +0 :              -0.00018523913587
                   +1 :              -0.00019998896006
                4p
                   -1 :               0.00006439257705
                   +0 :               0.00003330620545
                   +1 :               0.00003599770522
                3d
                   -2 :               0.00002217356104
                   -1 :              -0.00002499528378
                   +0 :               0.00000193995093
                   +1 :              -0.00002781592456
                   +2 :              -0.00003661345164
              6 vec=    -0.209286     -5.868340    -13.854306   |vec|=   15.047359
                2s
                   +0 :               0.00000835723425
                2p
                   -1 :              -0.00006957969293
                   +0 :               0.00001426935981
                   +1 :              -0.00005070009275
                3s
                   +0 :               0.00002705059596
                4s
                   +0 :              -0.00000478161938
                3p
                   -1 :               0.00033578573138
                   +0 :              -0.00007659271481
                   +1 :               0.00019186184401
                4p
                   -1 :              -0.00007323738642
                   +0 :              -0.00000015771778
                   +1 :              -0.00002219268930
                3d
                   -2 :              -0.00001860195104
                   -1 :               0.00003388132643
                   +0 :               0.00002011649500
                   +1 :              -0.00000072853197
                   +2 :               0.00004357894163
              7 vec=     7.570876      7.607297     10.693237   |vec|=   15.150394
                2s
                   +0 :              -0.00003417466890
                2p
                   -1 :               0.00003084660172
                   +0 :               0.00000779957161
                   +1 :              -0.00006223226032
                3s
                   +0 :               0.00038926596564
                4s
                   +0 :              -0.00010188965518
                3p
                   -1 :               0.00004836719907
                   +0 :               0.00010748344189
                   +1 :               0.00029478286198
                4p
                   -1 :               0.00000936025756
                   +0 :              -0.00001601002303
                   +1 :              -0.00009546455738
                3d
                   -2 :               0.00004157872901
                   -1 :               0.00002460303007
                   +0 :               0.00003645146642
                   +1 :               0.00001666815681
                   +2 :              -0.00003534174184
              8 vec=    -7.989449      7.607297     10.693237   |vec|=   15.363840
                2s
                   +0 :              -0.00009432782606
                2p
                   -1 :              -0.00001157988563
                   +0 :              -0.00005998164516
                   +1 :               0.00002013734456
                3s
                   +0 :               0.00010555173452
                4s
                   +0 :              -0.00004196421109
                3p
                   -1 :              -0.00016912497117
                   +0 :               0.00024594370686
                   +1 :              -0.00009177730699
                4p
                   -1 :               0.00005827247419
                   +0 :              -0.00007745084274
                   +1 :              -0.00000799574862
                3d
                   -2 :               0.00001684011541
                   -1 :              -0.00002282411600
                   +0 :               0.00000459028659
                   +1 :              -0.00004077626369
                   +2 :               0.00004486996234
              9 vec=     7.570876     -1.376461    -13.854306   |vec|=   15.847858
                2s
                   +0 :               0.00001050653677
                2p
                   -1 :               0.00001310391091
                   +0 :              -0.00000146121609
                   +1 :              -0.00003375395773
                3s
                   +0 :               0.00004065500053
                4s
                   +0 :              -0.00003257821369
                3p
                   -1 :              -0.00009449640732
                   +0 :              -0.00005564040693
                   +1 :               0.00017357969074
                4p
                   -1 :               0.00002453928497
                   +0 :               0.00004781526966
                   +1 :              -0.00005178855114
                3d
                   -2 :               0.00001751093190
                   -1 :               0.00001969243745
                   +0 :               0.00001201770295
                   +1 :              -0.00002975007273
                   +2 :               0.00003753105038
             10 vec=    -7.989449     -1.376461    -13.854306   |vec|=   16.052032
                2s
                   +0 :              -0.00003916764709
                2p
                   -1 :               0.00002900895883
                   +0 :               0.00000989938481
                   +1 :              -0.00000767584013
                3s
                   +0 :               0.00002171806498
                4s
                   +0 :               0.00000967696468
                3p
                   -1 :              -0.00010867585079
                   +0 :               0.00003717638288
                   +1 :               0.00004191356337
                4p
                   -1 :               0.00000476821008
                   +0 :              -0.00005443860549
                   +1 :               0.00000065940008
                3d
                   -2 :               0.00002030374264
                   -1 :              -0.00003272878645
                   +0 :              -0.00001866635481
                   +1 :               0.00002271846854
                   +2 :              -0.00002866139020
             11 vec=    -0.209286     12.099176     10.693237   |vec|=   16.148658
                2s
                   +0 :               0.00003701102750
                2p
                   -1 :               0.00001309897404
                   +0 :               0.00004019104331
                   +1 :               0.00001189606868
                3s
                   +0 :              -0.00015390231750
                4s
                   +0 :               0.00007102901897
                3p
                   -1 :              -0.00005423877933
                   +0 :              -0.00021361033964
                   +1 :              -0.00004214210075
                4p
                   -1 :               0.00001449540132
                   +0 :               0.00007088650395
                   +1 :               0.00001978710487
                3d
                   -2 :              -0.00000352242947
                   -1 :              -0.00004278611922
                   +0 :              -0.00003865798057
                   +1 :              -0.00000889893832
                   +2 :              -0.00000714141332
             12 vec=     7.570876    -10.360219     10.693237   |vec|=   16.703222
                2s
                   +0 :               0.00006096170201
                2p
                   -1 :              -0.00004141178384
                   +0 :               0.00006564659587
                   +1 :               0.00001055825708
                3s
                   +0 :              -0.00023159364165
                4s
                   +0 :               0.00013676787886
                3p
                   -1 :               0.00022255115212
                   +0 :              -0.00033931203181
                   +1 :              -0.00002029708135
                4p
                   -1 :              -0.00007639632062
                   +0 :               0.00011234469811
                   +1 :               0.00001691666021
                3d
                   -2 :              -0.00000724328251
                   -1 :               0.00006392180765
                   +0 :              -0.00009075980556
                   +1 :              -0.00000875132288
                   +2 :               0.00009301390429
             13 vec=    -7.989449    -10.360219     10.693237   |vec|=   16.897064
                2s
                   +0 :               0.00006346120910
                2p
                   -1 :               0.00003740798814
                   +0 :               0.00001986890376
                   +1 :              -0.00002494562361
                3s
                   +0 :              -0.00026300397767
                4s
                   +0 :               0.00004387939290
                3p
                   -1 :              -0.00027658968302
                   +0 :              -0.00013788721646
                   +1 :               0.00014698012100
                4p
                   -1 :               0.00012907967833
                   +0 :               0.00001830716068
                   +1 :              -0.00002847399154
                3d
                   -2 :               0.00002447706425
                   -1 :              -0.00001069915300
                   +0 :              -0.00005293360087
                   +1 :              -0.00000608613747
                   +2 :              -0.00006630377592
             14 vec=     7.570876      7.607297    -13.854306   |vec|=   17.525151
                2s
                   +0 :              -0.00005458246516
                2p
                   -1 :               0.00000114197137
                   +0 :               0.00001833689553
                   +1 :              -0.00001440762457
                3s
                   +0 :               0.00053957925226
                4s
                   +0 :              -0.00008029603400
                3p
                   -1 :               0.00008871865442
                   +0 :              -0.00015634891861
                   +1 :               0.00030374562919
                4p
                   -1 :               0.00000016742054
                   +0 :               0.00006011016682
                   +1 :              -0.00001516344938
                3d
                   -2 :               0.00005697771022
                   -1 :              -0.00000476583298
                   +0 :              -0.00004983446827
                   +1 :              -0.00002927327145
                   +2 :               0.00005932268662
             15 vec=    -7.989449      7.607297    -13.854306   |vec|=   17.709998
                2s
                   +0 :              -0.00001073797571
                2p
                   -1 :              -0.00001166119935
                   +0 :               0.00001460423199
                   +1 :               0.00002313761921
                3s
                   +0 :              -0.00027194283741
                4s
                   +0 :               0.00001549404697
                3p
                   -1 :              -0.00008457454100
                   +0 :              -0.00003306613140
                   +1 :               0.00004361922389
                4p
                   -1 :              -0.00000548324752
                   +0 :              -0.00000645068615
                   +1 :               0.00000965553536
                3d
                   -2 :               0.00003752895590
                   -1 :              -0.00000266239433
                   +0 :               0.00004018021957
                   +1 :               0.00002288301171
                   +2 :               0.00001027920731
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al(  5)  npairs=  13
              1 vec=    -2.802674     -1.376461      6.601898   |vec|=    7.303060
                2s
                   +0 :               0.00265545387435
                2p
                   -1 :              -0.00042838340949
                   +0 :               0.00157579033450
                   +1 :              -0.00037079789552
                3s
                   +0 :              -0.00901634205928
                4s
                   +0 :               0.00387672039125
                3p
                   -1 :               0.00522273051592
                   +0 :              -0.00335269690358
                   +1 :               0.00037937875410
                4p
                   -1 :              -0.00101129405628
                   +0 :               0.00170437344639
                   +1 :              -0.00042817935613
                3d
                   -2 :               0.00032517925222
                   -1 :               0.00028263643010
                   +0 :               0.00085605994663
                   +1 :              -0.00123021668009
                   +2 :               0.00010762040641
              2 vec=     4.977489      3.115418      6.601898   |vec|=    8.835512
                2s
                   +0 :              -0.00125263813292
                2p
                   -1 :               0.00045346390479
                   +0 :              -0.00030834520723
                   +1 :              -0.00004003106849
                3s
                   +0 :               0.01231611824019
                4s
                   +0 :              -0.00067757070422
                3p
                   -1 :              -0.00004250453782
                   +0 :               0.00715632463235
                   +1 :               0.00450306758787
                4p
                   -1 :               0.00130402474896
                   +0 :              -0.00020549411252
                   +1 :               0.00039578084059
                3d
                   -2 :               0.00069857555588
                   -1 :               0.00081291920034
                   +0 :               0.00064210655405
                   +1 :               0.00216370665952
                   +2 :               0.00180214745581
              3 vec=     4.977489     -5.868340      6.601898   |vec|=   10.138928
                2s
                   +0 :              -0.00124372751222
                2p
                   -1 :               0.00059242851321
                   +0 :              -0.00026453191662
                   +1 :              -0.00075850801565
                3s
                   +0 :               0.00630907718972
                4s
                   +0 :              -0.00293902730397
                3p
                   -1 :              -0.00361674577030
                   +0 :               0.00264455168690
                   +1 :               0.00482877479716
                4p
                   -1 :               0.00138928594789
                   +0 :              -0.00094952260686
                   +1 :              -0.00149422423067
                3d
                   -2 :              -0.00101445764139
                   -1 :              -0.00041386912450
                   +0 :              -0.00025150593906
                   +1 :               0.00084721126145
                   +2 :              -0.00003384094536
              4 vec=    -2.802674      7.607297      6.601898   |vec|=   10.455190
                2s
                   +0 :               0.00040703337656
                2p
                   -1 :              -0.00006915860982
                   +0 :               0.00021627502940
                   +1 :               0.00002399815429
                3s
                   +0 :              -0.00154501636132
                4s
                   +0 :               0.00031211026014
                3p
                   -1 :               0.00041403090943
                   +0 :              -0.00056607011520
                   +1 :              -0.00039279412655
                4p
                   -1 :              -0.00029426215599
                   +0 :               0.00013721187101
                   +1 :               0.00004576770398
                3d
                   -2 :              -0.00000781939862
                   -1 :               0.00006620959144
                   +0 :              -0.00050155268763
                   +1 :              -0.00044995580333
                   +2 :              -0.00014137704227
              5 vec=    -2.802674    -10.360219      6.601898   |vec|=   12.600563
                2s
                   +0 :               0.00024581264748
                2p
                   -1 :               0.00003322193751
                   +0 :               0.00022363044554
                   +1 :               0.00012404464511
                3s
                   +0 :              -0.00173144849466
                4s
                   +0 :               0.00067997643372
                3p
                   -1 :               0.00035036039487
                   +0 :              -0.00159389146584
                   +1 :              -0.00075564373089
                4p
                   -1 :              -0.00006146152378
                   +0 :               0.00039221146886
                   +1 :               0.00025364942603
                3d
                   -2 :               0.00004869006601
                   -1 :               0.00029289167331
                   +0 :              -0.00016818821173
                   +1 :              -0.00003925022685
                   +2 :               0.00006058873715
              6 vec=   -10.582837      3.115418      6.601898   |vec|=   12.856411
                2s
                   +0 :               0.00026756930153
                2p
                   -1 :              -0.00004337626604
                   +0 :              -0.00001225350355
                   +1 :               0.00003446049184
                3s
                   +0 :              -0.00182118897880
                4s
                   +0 :               0.00026080174096
                3p
                   -1 :               0.00002356860468
                   +0 :              -0.00070391847410
                   +1 :               0.00034033360733
                4p
                   -1 :              -0.00019238216452
                   +0 :               0.00010483235779
                   +1 :               0.00004892183962
                3d
                   -2 :               0.00011395498179
                   -1 :              -0.00008034326900
                   +0 :              -0.00000676632342
                   +1 :               0.00015394872554
                   +2 :              -0.00019848698935
              7 vec=   -10.582837     -5.868340      6.601898   |vec|=   13.784734
                2s
                   +0 :               0.00003545578560
                2p
                   -1 :               0.00006203732932
                   +0 :              -0.00004733111322
                   +1 :              -0.00016546288488
                3s
                   +0 :              -0.00073986067873
                4s
                   +0 :               0.00049955108616
                3p
                   -1 :               0.00016832478521
                   +0 :               0.00007898972322
                   +1 :               0.00122561955246
                4p
                   -1 :              -0.00020680079825
                   +0 :               0.00008355388064
                   +1 :              -0.00047624220977
                3d
                   -2 :              -0.00016330356771
                   -1 :               0.00007487274387
                   +0 :               0.00005377565470
                   +1 :              -0.00004002052833
                   +2 :              -0.00000667778165
              8 vec=    12.757651     -1.376461      6.601898   |vec|=   14.430432
                2s
                   +0 :              -0.00024311907993
                2p
                   -1 :              -0.00007117098318
                   +0 :              -0.00017608613098
                   +1 :              -0.00005314822540
                3s
                   +0 :               0.00112001898377
                4s
                   +0 :              -0.00031322297137
                3p
                   -1 :               0.00035660935972
                   +0 :               0.00091532698698
                   +1 :               0.00036988295565
                4p
                   -1 :              -0.00013615954825
                   +0 :              -0.00017151671846
                   +1 :              -0.00006366587977
                3d
                   -2 :               0.00001506283604
                   -1 :               0.00007387746586
                   +0 :               0.00006694856221
                   +1 :               0.00011524990823
                   +2 :              -0.00001677207003
              9 vec=     4.977489     12.099176      6.601898   |vec|=   14.654368
                2s
                   +0 :               0.00001635265536
                2p
                   -1 :               0.00000730479913
                   +0 :               0.00002128151957
                   +1 :               0.00004346672534
                3s
                   +0 :              -0.00001887690829
                4s
                   +0 :              -0.00002548728016
                3p
                   -1 :              -0.00003212711135
                   +0 :              -0.00009008206488
                   +1 :              -0.00027182097924
                4p
                   -1 :              -0.00000277103639
                   +0 :               0.00000857609687
                   +1 :               0.00003314103133
                3d
                   -2 :              -0.00001809738498
                   -1 :               0.00001423966266
                   +0 :              -0.00002408223805
                   +1 :              -0.00007108788403
                   +2 :               0.00001410267810
             10 vec=    12.757651      7.607297      6.601898   |vec|=   16.254651
                2s
                   +0 :              -0.00012480140119
                2p
                   -1 :              -0.00002497101317
                   +0 :              -0.00006836532608
                   +1 :              -0.00003682230702
                3s
                   +0 :               0.00042809810418
                4s
                   +0 :              -0.00006130095233
                3p
                   -1 :               0.00011238529230
                   +0 :               0.00031231800799
                   +1 :               0.00011360043217
                4p
                   -1 :              -0.00001828931829
                   +0 :              -0.00005632361879
                   +1 :               0.00002275512472
                3d
                   -2 :               0.00000343716604
                   -1 :               0.00002195651203
                   +0 :               0.00001875612975
                   +1 :               0.00006642819292
                   +2 :               0.00000514273066
             11 vec=     4.977489    -14.852098      6.601898   |vec|=   16.998390
                2s
                   +0 :              -0.00002502528317
                2p
                   -1 :              -0.00001018349854
                   +0 :               0.00000133861068
                   +1 :              -0.00000942456132
                3s
                   +0 :               0.00017979591415
                4s
                   +0 :              -0.00002281512839
                3p
                   -1 :               0.00000372165452
                   +0 :               0.00006436737145
                   +1 :               0.00004650091639
                4p
                   -1 :              -0.00002554187528
                   +0 :              -0.00001415140751
                   +1 :              -0.00001228875488
                3d
                   -2 :              -0.00006549054421
                   -1 :              -0.00002393468459
                   +0 :               0.00002826464131
                   +1 :               0.00001987791749
                   +2 :              -0.00002180829857
             12 vec=   -10.582837     12.099176      6.601898   |vec|=   17.377328
                2s
                   +0 :               0.00005808954123
                2p
                   -1 :              -0.00001452274693
                   +0 :               0.00002928722476
                   +1 :              -0.00000746108450
                3s
                   +0 :              -0.00031421663779
                4s
                   +0 :               0.00007184285227
                3p
                   -1 :               0.00005245948206
                   +0 :              -0.00020597068013
                   +1 :               0.00006649473340
                4p
                   -1 :              -0.00003226621225
                   +0 :               0.00004272248825
                   +1 :              -0.00000794129113
                3d
                   -2 :              -0.00000545256592
                   -1 :              -0.00002063131433
                   +0 :              -0.00001531792411
                   +1 :               0.00003979642082
                   +2 :              -0.00003519669747
             13 vec=    12.757651    -10.360219      6.601898   |vec|=   17.710925
                2s
                   +0 :              -0.00003984503535
                2p
                   -1 :              -0.00000998360448
                   +0 :               0.00000792719567
                   +1 :              -0.00001955560263
                3s
                   +0 :               0.00022800968047
                4s
                   +0 :              -0.00009078330877
                3p
                   -1 :               0.00006131015164
                   +0 :              -0.00000585430680
                   +1 :               0.00017884381442
                4p
                   -1 :              -0.00002932308460
                   +0 :              -0.00001099325747
                   +1 :              -0.00007058193553
                3d
                   -2 :              -0.00001734268441
                   -1 :               0.00002396959858
                   +0 :               0.00001467719302
                   +1 :              -0.00002411656574
                   +2 :               0.00000580756588
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al(  6)  npairs=  15
              1 vec=    -2.802674     -1.376461    -10.693319   |vec|=   11.139869
                2s
                   +0 :              -0.00089052128671
                2p
                   -1 :               0.00011676865141
                   +0 :               0.00037090922279
                   +1 :               0.00016730685858
                3s
                   +0 :               0.00259202993553
                4s
                   +0 :              -0.00091780139423
                3p
                   -1 :              -0.00053311054565
                   +0 :              -0.00176812507101
                   +1 :              -0.00142486516702
                4p
                   -1 :               0.00008004753032
                   +0 :               0.00053767840245
                   +1 :               0.00025479451926
                3d
                   -2 :              -0.00005107198875
                   -1 :               0.00014971323757
                   +0 :              -0.00001055320513
                   +1 :               0.00028462561276
                   +2 :               0.00001442276050
              2 vec=     4.977489      3.115418    -10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00011461353735
                2p
                   -1 :               0.00010393115635
                   +0 :              -0.00006333577965
                   +1 :               0.00008111316382
                3s
                   +0 :               0.00033424223569
                4s
                   +0 :               0.00014569045421
                3p
                   -1 :              -0.00076208713852
                   +0 :               0.00012492314506
                   +1 :              -0.00030861192212
                4p
                   -1 :               0.00004124917011
                   +0 :              -0.00004911074188
                   +1 :               0.00017123903900
                3d
                   -2 :              -0.00024834361633
                   -1 :               0.00026629905330
                   +0 :              -0.00010974429965
                   +1 :               0.00008815011253
                   +2 :              -0.00022566855067
              3 vec=     4.977489     -5.868340    -10.693319   |vec|=   13.174213
                2s
                   +0 :               0.00014544030369
                2p
                   -1 :               0.00000239516041
                   +0 :              -0.00002299453262
                   +1 :               0.00002271674356
                3s
                   +0 :              -0.00053600772483
                4s
                   +0 :               0.00015924871315
                3p
                   -1 :               0.00007163025795
                   +0 :               0.00019668881714
                   +1 :              -0.00018509768416
                4p
                   -1 :              -0.00001443638521
                   +0 :              -0.00003892290871
                   +1 :               0.00007901853312
                3d
                   -2 :               0.00012798790879
                   -1 :               0.00002930347399
                   +0 :               0.00004748496919
                   +1 :               0.00003049190827
                   +2 :              -0.00008495668509
              4 vec=    -2.802674      7.607297    -10.693319   |vec|=   13.419128
                2s
                   +0 :               0.00027043623464
                2p
                   -1 :               0.00007739907716
                   +0 :              -0.00000272458295
                   +1 :              -0.00004383255588
                3s
                   +0 :              -0.00224590768535
                4s
                   +0 :               0.00037268253307
                3p
                   -1 :              -0.00136299366178
                   +0 :               0.00087629081929
                   +1 :               0.00018172863737
                4p
                   -1 :               0.00016105216188
                   +0 :              -0.00003240703618
                   +1 :              -0.00013121239579
                3d
                   -2 :              -0.00004547421114
                   -1 :               0.00036853250654
                   +0 :               0.00003233432451
                   +1 :               0.00004064275818
                   +2 :               0.00029280928751
              5 vec=    -2.802674     -1.376461     13.854224   |vec|=   14.201730
                2s
                   +0 :              -0.00014157969037
                2p
                   -1 :               0.00001195765762
                   +0 :              -0.00003052657982
                   +1 :               0.00004509271630
                3s
                   +0 :               0.00029614792103
                4s
                   +0 :              -0.00004867603455
                3p
                   -1 :              -0.00006132427402
                   +0 :               0.00008827054101
                   +1 :              -0.00015499579226
                4p
                   -1 :               0.00001883224821
                   +0 :               0.00000357764952
                   +1 :               0.00000814367256
                3d
                   -2 :               0.00000064099099
                   -1 :               0.00001181861338
                   +0 :              -0.00000926646236
                   +1 :               0.00001656818852
                   +2 :               0.00000916135743
              6 vec=     4.977489      3.115418     13.854224   |vec|=   15.047283
                2s
                   +0 :               0.00002666573638
                2p
                   -1 :               0.00004025064815
                   +0 :              -0.00003061366113
                   +1 :               0.00003422450213
                3s
                   +0 :              -0.00010436557627
                4s
                   +0 :              -0.00003622939318
                3p
                   -1 :              -0.00028642789510
                   +0 :               0.00015243935806
                   +1 :              -0.00024451426844
                4p
                   -1 :               0.00004769515577
                   +0 :              -0.00006686632849
                   +1 :               0.00000937224722
                3d
                   -2 :              -0.00005629128182
                   -1 :               0.00000484766282
                   +0 :               0.00003056391665
                   +1 :               0.00001165438993
                   +2 :              -0.00001394654365
              7 vec=    -2.802674    -10.360219    -10.693319   |vec|=   15.150452
                2s
                   +0 :               0.00007717549427
                2p
                   -1 :              -0.00005080386276
                   +0 :              -0.00002660852616
                   +1 :               0.00002767383957
                3s
                   +0 :              -0.00040919748685
                4s
                   +0 :               0.00020524931987
                3p
                   -1 :               0.00030690476367
                   +0 :               0.00025648102147
                   +1 :              -0.00005254742160
                4p
                   -1 :              -0.00009210137177
                   +0 :              -0.00011046529804
                   +1 :              -0.00002772408729
                3d
                   -2 :              -0.00001809477949
                   -1 :              -0.00003873973914
                   +0 :              -0.00006723786229
                   +1 :              -0.00003565548667
                   +2 :               0.00006929363581
              8 vec=   -10.582837      3.115418    -10.693319   |vec|=   15.363897
                2s
                   +0 :               0.00000138042950
                2p
                   -1 :              -0.00004026994206
                   +0 :               0.00004455069433
                   +1 :              -0.00003198995650
                3s
                   +0 :              -0.00024518245147
                4s
                   +0 :              -0.00001574790796
                3p
                   -1 :               0.00026289792002
                   +0 :              -0.00012978913456
                   +1 :               0.00017564700141
                4p
                   -1 :              -0.00003581815883
                   +0 :               0.00006116560363
                   +1 :               0.00000638208131
                3d
                   -2 :              -0.00002582627170
                   -1 :              -0.00005987891795
                   +0 :              -0.00002145145270
                   +1 :              -0.00001579617878
                   +2 :               0.00000514982823
              9 vec=     4.977489     -5.868340     13.854224   |vec|=   15.847786
                2s
                   +0 :               0.00005760862722
                2p
                   -1 :              -0.00001569752017
                   +0 :               0.00005528264334
                   +1 :               0.00000526252509
                3s
                   +0 :              -0.00008014984285
                4s
                   +0 :               0.00005444805609
                3p
                   -1 :              -0.00005853055600
                   +0 :              -0.00026190334095
                   +1 :               0.00001700451663
                4p
                   -1 :              -0.00001591851746
                   +0 :               0.00007593380126
                   +1 :              -0.00003210320035
                3d
                   -2 :               0.00002181481401
                   -1 :              -0.00002513965939
                   +0 :              -0.00006110589965
                   +1 :              -0.00000565046144
                   +2 :              -0.00007234084736
             10 vec=    -2.802674      7.607297     13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00005343058836
                2p
                   -1 :               0.00002741406132
                   +0 :               0.00002044259975
                   +1 :               0.00001337753051
                3s
                   +0 :               0.00002539134755
                4s
                   +0 :               0.00004910687406
                3p
                   -1 :               0.00001332848996
                   +0 :              -0.00005977331423
                   +1 :              -0.00027464928331
                4p
                   -1 :              -0.00001512565425
                   +0 :               0.00001744587338
                   +1 :               0.00002878922256
                3d
                   -2 :              -0.00001155697913
                   -1 :              -0.00001320082625
                   +0 :              -0.00007158567053
                   +1 :              -0.00001420534314
                   +2 :               0.00002823946337
             11 vec=   -10.582837     -5.868340    -10.693319   |vec|=   16.148712
                2s
                   +0 :              -0.00005642721672
                2p
                   -1 :              -0.00000621940768
                   +0 :               0.00002430226096
                   +1 :               0.00003158836752
                3s
                   +0 :               0.00023184154715
                4s
                   +0 :              -0.00008667281652
                3p
                   -1 :               0.00002638098764
                   +0 :              -0.00014336057123
                   +1 :              -0.00018854900154
                4p
                   -1 :              -0.00000870268003
                   +0 :               0.00004620192371
                   +1 :               0.00002918499352
                3d
                   -2 :              -0.00001557367407
                   -1 :              -0.00000537291567
                   +0 :              -0.00000660230944
                   +1 :               0.00003971832368
                   +2 :               0.00001867489644
             12 vec=    12.757651     -1.376461    -10.693319   |vec|=   16.703274
                2s
                   +0 :              -0.00004522389199
                2p
                   -1 :              -0.00004771560485
                   +0 :               0.00000354962591
                   +1 :              -0.00001905877522
                3s
                   +0 :               0.00040323253892
                4s
                   +0 :              -0.00014783430226
                3p
                   -1 :               0.00020555854447
                   +0 :              -0.00013429465323
                   +1 :               0.00018167269872
                4p
                   -1 :              -0.00005994444957
                   +0 :               0.00003877151600
                   +1 :              -0.00007070683519
                3d
                   -2 :              -0.00000204694547
                   -1 :              -0.00001727078025
                   +0 :               0.00000052537514
                   +1 :              -0.00002381111262
                   +2 :               0.00004805319233
             13 vec=     4.977489     12.099176    -10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00000840948294
                2p
                   -1 :              -0.00000245255006
                   +0 :              -0.00000529909744
                   +1 :              -0.00000370992435
                3s
                   +0 :               0.00012061845271
                4s
                   +0 :              -0.00001181540703
                3p
                   -1 :               0.00003601996741
                   +0 :              -0.00004334757673
                   +1 :               0.00001672976729
                4p
                   -1 :              -0.00001098529511
                   +0 :              -0.00000207474359
                   +1 :              -0.00001508440955
                3d
                   -2 :               0.00001423087359
                   -1 :              -0.00000573900309
                   +0 :               0.00001764487021
                   +1 :              -0.00000481081636
                   +2 :              -0.00000557233005
             14 vec=    -2.802674    -10.360219     13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00006901105516
                2p
                   -1 :              -0.00003886802663
                   +0 :               0.00000173028890
                   +1 :               0.00001143081820
                3s
                   +0 :              -0.00018354266306
                4s
                   +0 :               0.00004000059059
                3p
                   -1 :               0.00015365339859
                   +0 :               0.00002427347119
                   +1 :              -0.00007089723044
                4p
                   -1 :              -0.00003256016342
                   +0 :              -0.00002553070249
                   +1 :               0.00002419780811
                3d
                   -2 :               0.00004210484716
                   -1 :               0.00001070118640
                   +0 :               0.00002485693047
                   +1 :              -0.00000110565524
                   +2 :               0.00000667273700
             15 vec=   -10.582837      3.115418     13.854224   |vec|=   17.709934
                2s
                   +0 :              -0.00007071699674
                2p
                   -1 :              -0.00002322809330
                   +0 :              -0.00001772219174
                   +1 :               0.00004832253668
                3s
                   +0 :               0.00011440301891
                4s
                   +0 :              -0.00003678372202
                3p
                   -1 :               0.00007712881788
                   +0 :               0.00003674491859
                   +1 :              -0.00013609421139
                4p
                   -1 :              -0.00000422276764
                   +0 :               0.00000028371817
                   +1 :               0.00003868520205
                3d
                   -2 :              -0.00002512224129
                   -1 :               0.00003084668265
                   +0 :               0.00001023145743
                   +1 :              -0.00000935055329
                   +2 :               0.00000552591668
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al(  7)  npairs=  14
              1 vec=    -2.802674     -1.376461      1.580453   |vec|=    3.499637
                2s
                   +0 :              -0.04005781622486
                2p
                   -1 :               0.02105841894755
                   +0 :              -0.02545810278253
                   +1 :               0.03190823987513
                3s
                   +0 :              -0.09877046994581
                4s
                   +0 :              -0.01269274485049
                3p
                   -1 :               0.03424489999934
                   +0 :              -0.04645351851657
                   +1 :               0.05511737222226
                4p
                   -1 :               0.01324007829254
                   +0 :              -0.01180843999429
                   +1 :               0.01595288905318
                3d
                   -2 :              -0.03664277133426
                   -1 :               0.03134188163035
                   +0 :              -0.00304309355112
                   +1 :               0.04432971085400
                   +2 :              -0.01018402652323
              2 vec=     4.977489      3.115418      1.580453   |vec|=    6.081040
                2s
                   +0 :              -0.00418838719063
                2p
                   -1 :              -0.00190663682474
                   +0 :              -0.00085672306311
                   +1 :              -0.00316840378393
                3s
                   +0 :               0.00763831602235
                4s
                   +0 :              -0.00607575607448
                3p
                   -1 :               0.00410007118772
                   +0 :               0.00322309318933
                   +1 :               0.01087666631001
                4p
                   -1 :              -0.00224080008961
                   +0 :              -0.00121983345953
                   +1 :              -0.00393701998481
                3d
                   -2 :               0.00093329667324
                   -1 :               0.00068941238685
                   +0 :              -0.00256090287760
                   +1 :               0.00174121244702
                   +2 :               0.00384169407506
              3 vec=     4.977489     -5.868340      1.580453   |vec|=    7.855612
                2s
                   +0 :              -0.00024425018109
                2p
                   -1 :               0.00059120112855
                   +0 :               0.00047203276877
                   +1 :              -0.00002932770331
                3s
                   +0 :               0.00634509572658
                4s
                   +0 :              -0.00007565967232
                3p
                   -1 :               0.00082962337565
                   +0 :               0.00218636631116
                   +1 :               0.00349548734633
                4p
                   -1 :               0.00021178931211
                   +0 :               0.00028518813103
                   +1 :              -0.00004790094180
                3d
                   -2 :               0.00047281531911
                   -1 :               0.00042496729054
                   +0 :               0.00068817770246
                   +1 :               0.00100825709011
                   +2 :               0.00209778270179
              4 vec=    -2.802674      7.607297      1.580453   |vec|=    8.259768
                2s
                   +0 :              -0.00002978332662
                2p
                   -1 :              -0.00032255713717
                   +0 :              -0.00023923675977
                   +1 :               0.00019425939162
                3s
                   +0 :              -0.00443715287042
                4s
                   +0 :               0.00008396208442
                3p
                   -1 :              -0.00129444434878
                   +0 :              -0.00220313471039
                   +1 :              -0.00322749797915
                4p
                   -1 :              -0.00050674275565
                   +0 :              -0.00003700581490
                   +1 :               0.00021957257277
                3d
                   -2 :              -0.00109983996711
                   -1 :              -0.00165718354916
                   +0 :              -0.00038656564913
                   +1 :              -0.00086053344768
                   +2 :               0.00014316388803
              5 vec=    -2.802674    -10.360219      1.580453   |vec|=   10.848362
                2s
                   +0 :               0.00027428828298
                2p
                   -1 :              -0.00030012203146
                   +0 :              -0.00024669703065
                   +1 :              -0.00016253301804
                3s
                   +0 :               0.00012818065834
                4s
                   +0 :               0.00006699264160
                3p
                   -1 :               0.00097021888311
                   +0 :               0.00105777382616
                   +1 :              -0.00019440181509
                4p
                   -1 :              -0.00011850342931
                   +0 :              -0.00005724025533
                   +1 :              -0.00018023493853
                3d
                   -2 :              -0.00061526317730
                   -1 :               0.00003158164740
                   +0 :               0.00010893345192
                   +1 :              -0.00030213564102
                   +2 :               0.00046535514672
              6 vec=   -10.582837      3.115418      1.580453   |vec|=   11.144509
                2s
                   +0 :               0.00019467416415
                2p
                   -1 :               0.00029579578323
                   +0 :               0.00010671124009
                   +1 :              -0.00008067995198
                3s
                   +0 :              -0.00200228768000
                4s
                   +0 :               0.00102953886421
                3p
                   -1 :              -0.00197229241962
                   +0 :              -0.00101245991442
                   +1 :               0.00157419537244
                4p
                   -1 :               0.00058121739068
                   +0 :               0.00021151461788
                   +1 :              -0.00048489808209
                3d
                   -2 :               0.00088188134016
                   -1 :              -0.00029829034998
                   +0 :               0.00023537611151
                   +1 :               0.00045859356414
                   +2 :               0.00030271027518
              7 vec=   -10.582837     -5.868340      1.580453   |vec|=   12.203757
                2s
                   +0 :               0.00019858154208
                2p
                   -1 :               0.00000523240206
                   +0 :               0.00011474805889
                   +1 :              -0.00017139300680
                3s
                   +0 :              -0.00079981919718
                4s
                   +0 :               0.00004320314371
                3p
                   -1 :              -0.00002798208652
                   +0 :              -0.00076975313294
                   +1 :               0.00110524726878
                4p
                   -1 :               0.00010097102243
                   +0 :               0.00006747625770
                   +1 :              -0.00028241466052
                3d
                   -2 :              -0.00005195630193
                   -1 :               0.00012397877635
                   +0 :               0.00013259429474
                   +1 :               0.00006501003045
                   +2 :              -0.00024407213594
              8 vec=    12.757651     -1.376461      1.580453   |vec|=   12.928656
                2s
                   +0 :              -0.00019000667148
                2p
                   -1 :              -0.00016374715407
                   +0 :               0.00019507683786
                   +1 :               0.00017428685477
                3s
                   +0 :               0.00251904561853
                4s
                   +0 :              -0.00029854943180
                3p
                   -1 :              -0.00085904026287
                   +0 :               0.00074240440112
                   +1 :              -0.00014518409171
                4p
                   -1 :              -0.00014163922135
                   +0 :               0.00004466285840
                   +1 :               0.00015003480220
                3d
                   -2 :              -0.00025538252073
                   -1 :              -0.00065910052494
                   +0 :               0.00026326749345
                   +1 :               0.00024517467432
                   +2 :              -0.00056447929593
              9 vec=     4.977489     12.099176      1.580453   |vec|=   13.178136
                2s
                   +0 :               0.00018692041562
                2p
                   -1 :               0.00006747493170
                   +0 :               0.00002049187402
                   +1 :              -0.00002389802018
                3s
                   +0 :               0.00029847699314
                4s
                   +0 :               0.00007740852733
                3p
                   -1 :               0.00034873481374
                   +0 :               0.00050223373689
                   +1 :              -0.00003511153836
                4p
                   -1 :              -0.00000268797151
                   +0 :              -0.00001274416800
                   +1 :              -0.00002610404925
                3d
                   -2 :              -0.00001801456263
                   -1 :               0.00018849796326
                   +0 :               0.00002868860139
                   +1 :              -0.00001014893856
                   +2 :              -0.00016317655816
             10 vec=    12.757651      7.607297      1.580453   |vec|=   14.937418
                2s
                   +0 :              -0.00020665132640
                2p
                   -1 :              -0.00001551490847
                   +0 :               0.00002129904706
                   +1 :              -0.00006063552541
                3s
                   +0 :               0.00111445283382
                4s
                   +0 :              -0.00032447455300
                3p
                   -1 :               0.00030011635690
                   +0 :               0.00008366588618
                   +1 :               0.00039202780341
                4p
                   -1 :              -0.00007415191248
                   +0 :               0.00003872745244
                   +1 :              -0.00011812715522
                3d
                   -2 :               0.00001286044201
                   -1 :               0.00003645750685
                   +0 :               0.00004179698857
                   +1 :              -0.00000650726261
                   +2 :              -0.00000541607795
             11 vec=     4.977489    -14.852098      1.580453   |vec|=   15.743508
                2s
                   +0 :              -0.00007978823714
                2p
                   -1 :               0.00005022875486
                   +0 :              -0.00003790836515
                   +1 :              -0.00004655340614
                3s
                   +0 :               0.00023823852231
                4s
                   +0 :              -0.00010953351764
                3p
                   -1 :              -0.00024793719917
                   +0 :               0.00023493191684
                   +1 :               0.00013232563879
                4p
                   -1 :               0.00005654824392
                   +0 :              -0.00006546569757
                   +1 :              -0.00001845978518
                3d
                   -2 :               0.00000051481980
                   -1 :              -0.00009369914761
                   +0 :              -0.00005170834343
                   +1 :               0.00000489637122
                   +2 :              -0.00006707291347
             12 vec=   -10.582837     12.099176      1.580453   |vec|=   16.151913
                2s
                   +0 :               0.00006026579288
                2p
                   -1 :               0.00001740525722
                   +0 :              -0.00001166816069
                   +1 :               0.00001845755830
                3s
                   +0 :              -0.00031414297458
                4s
                   +0 :               0.00003510834770
                3p
                   -1 :              -0.00012593047334
                   +0 :              -0.00002356385895
                   +1 :              -0.00020637398856
                4p
                   -1 :               0.00001093991491
                   +0 :              -0.00000349839252
                   +1 :               0.00006737932713
                3d
                   -2 :              -0.00003059133126
                   -1 :              -0.00003673437281
                   +0 :              -0.00000437400784
                   +1 :              -0.00003894949326
                   +2 :               0.00006951082196
             13 vec=    12.757651    -10.360219      1.580453   |vec|=   16.510289
                2s
                   +0 :              -0.00007412290209
                2p
                   -1 :              -0.00001812551627
                   +0 :              -0.00001183155501
                   +1 :              -0.00002820391760
                3s
                   +0 :               0.00042833846184
                4s
                   +0 :              -0.00007064340831
                3p
                   -1 :               0.00005324075016
                   +0 :               0.00018344933051
                   +1 :               0.00021128517118
                4p
                   -1 :              -0.00000588995304
                   +0 :              -0.00000782612061
                   +1 :              -0.00002154350741
                3d
                   -2 :               0.00000237199147
                   -1 :               0.00000290513378
                   +0 :               0.00001890997187
                   +1 :               0.00010757076377
                   +2 :               0.00002184718616
             14 vec=    -2.802674     16.591055      1.580453   |vec|=   16.900175
                2s
                   +0 :              -0.00001042896409
                2p
                   -1 :               0.00000565486366
                   +0 :              -0.00000740136597
                   +1 :              -0.00002646744724
                3s
                   +0 :              -0.00002430603032
                4s
                   +0 :               0.00001758504154
                3p
                   -1 :              -0.00007619741575
                   +0 :               0.00003473119101
                   +1 :               0.00017587018092
                4p
                   -1 :               0.00002971807645
                   +0 :              -0.00001478907428
                   +1 :              -0.00002415457285
                3d
                   -2 :               0.00004703075548
                   -1 :               0.00001143042016
                   +0 :               0.00000022327917
                   +1 :               0.00004164441765
                   +2 :               0.00001820339081
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al(  8)  npairs=  14
              1 vec=    -2.802674     -1.376461     -5.671873   |vec|=    6.474548
                2s
                   +0 :               0.00202561793439
                2p
                   -1 :              -0.00046541788290
                   +0 :              -0.00162333523101
                   +1 :              -0.00057561370792
                3s
                   +0 :              -0.00583295909319
                4s
                   +0 :               0.00343803442710
                3p
                   -1 :               0.00215777808846
                   +0 :               0.00994798663752
                   +1 :               0.00167441159825
                4p
                   -1 :              -0.00035604511404
                   +0 :              -0.00410479540775
                   +1 :              -0.00008087632299
                3d
                   -2 :              -0.00070180472440
                   -1 :               0.00006384956337
                   +0 :              -0.00262682773227
                   +1 :              -0.00167316082663
                   +2 :              -0.00147104318450
              2 vec=     4.977489      3.115418     -5.671873   |vec|=    8.164029
                2s
                   +0 :               0.00008410720195
                2p
                   -1 :               0.00017841094432
                   +0 :               0.00066448628083
                   +1 :              -0.00004222648369
                3s
                   +0 :               0.00437706904441
                4s
                   +0 :               0.00032613469168
                3p
                   -1 :              -0.00060400913805
                   +0 :              -0.00158142504040
                   +1 :               0.00316449778137
                4p
                   -1 :               0.00064341679622
                   +0 :               0.00065665359550
                   +1 :               0.00003742113977
                3d
                   -2 :               0.00045260824765
                   -1 :               0.00050035830482
                   +0 :              -0.00136011959663
                   +1 :              -0.00042193452353
                   +2 :               0.00159673318621
              3 vec=     4.977489     -5.868340     -5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00005023081631
                2p
                   -1 :               0.00041687678752
                   +0 :               0.00003436711164
                   +1 :              -0.00070634933613
                3s
                   +0 :               0.00054659074419
                4s
                   +0 :              -0.00034720337949
                3p
                   -1 :              -0.00190998037994
                   +0 :              -0.00042057777509
                   +1 :               0.00423358803597
                4p
                   -1 :               0.00059493092938
                   +0 :               0.00015439546346
                   +1 :              -0.00103648861954
                3d
                   -2 :              -0.00087800556212
                   -1 :               0.00024772295721
                   +0 :               0.00019379602371
                   +1 :              -0.00091408048597
                   +2 :              -0.00029345715592
              4 vec=    -2.802674      7.607297     -5.671873   |vec|=    9.894245
                2s
                   +0 :              -0.00107294897433
                2p
                   -1 :              -0.00046519474740
                   +0 :               0.00033675514838
                   +1 :               0.00042225556061
                3s
                   +0 :               0.00285356145853
                4s
                   +0 :              -0.00082501444545
                3p
                   -1 :               0.00199184356593
                   +0 :              -0.00101378620704
                   +1 :              -0.00190545370617
                4p
                   -1 :              -0.00058993123366
                   +0 :               0.00011354343319
                   +1 :               0.00045037189064
                3d
                   -2 :              -0.00045139390096
                   -1 :              -0.00037077402456
                   +0 :              -0.00016403365491
                   +1 :               0.00041091920731
                   +2 :               0.00026266071596
              5 vec=    -2.802674    -10.360219     -5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00003816246891
                2p
                   -1 :               0.00007228729160
                   +0 :              -0.00003235741902
                   +1 :              -0.00012103495559
                3s
                   +0 :              -0.00002565925431
                4s
                   +0 :              -0.00018986397114
                3p
                   -1 :              -0.00038376055777
                   +0 :              -0.00002686645224
                   +1 :               0.00068556522684
                4p
                   -1 :               0.00016883823651
                   +0 :              -0.00006065420659
                   +1 :              -0.00013492063922
                3d
                   -2 :              -0.00020040226756
                   -1 :               0.00010417240337
                   +0 :               0.00000405832955
                   +1 :              -0.00004827135156
                   +2 :              -0.00007889230701
              6 vec=   -10.582837      3.115418     -5.671873   |vec|=   12.404532
                2s
                   +0 :              -0.00011911431585
                2p
                   -1 :               0.00006901363422
                   +0 :              -0.00003395221697
                   +1 :               0.00015965597129
                3s
                   +0 :              -0.00024901188684
                4s
                   +0 :              -0.00017907361815
                3p
                   -1 :              -0.00071450355937
                   +0 :               0.00012611222686
                   +1 :              -0.00024344560290
                4p
                   -1 :               0.00010619676824
                   +0 :              -0.00006153801545
                   +1 :               0.00018988698372
                3d
                   -2 :               0.00018087469621
                   -1 :               0.00010079551319
                   +0 :               0.00007972611100
                   +1 :               0.00013300886696
                   +2 :               0.00008242151046
              7 vec=   -10.582837     -5.868340     -5.671873   |vec|=   13.364281
                2s
                   +0 :              -0.00017232655785
                2p
                   -1 :              -0.00002729722221
                   +0 :               0.00000462622277
                   +1 :               0.00001956674464
                3s
                   +0 :               0.00052926748726
                4s
                   +0 :              -0.00013717868672
                3p
                   -1 :               0.00017261770181
                   +0 :              -0.00004343622075
                   +1 :              -0.00021503506175
                4p
                   -1 :              -0.00002217852582
                   +0 :              -0.00005679547593
                   +1 :               0.00005595459563
                3d
                   -2 :              -0.00007836732679
                   -1 :               0.00007277349030
                   +0 :              -0.00008104515076
                   +1 :              -0.00003399231312
                   +2 :               0.00000224779725
              8 vec=    12.757651     -1.376461     -5.671873   |vec|=   14.029343
                2s
                   +0 :               0.00015887314067
                2p
                   -1 :               0.00004903396726
                   +0 :              -0.00009557264879
                   +1 :               0.00014026513908
                3s
                   +0 :              -0.00036441191881
                4s
                   +0 :               0.00020333479147
                3p
                   -1 :              -0.00003305202938
                   +0 :               0.00029112355877
                   +1 :              -0.00063802560335
                4p
                   -1 :               0.00001273223658
                   +0 :              -0.00001264379010
                   +1 :               0.00025041341797
                3d
                   -2 :               0.00001060327114
                   -1 :              -0.00003113580023
                   +0 :               0.00001388841743
                   +1 :               0.00023123518486
                   +2 :              -0.00005903799655
              9 vec=     4.977489     12.099176     -5.671873   |vec|=   14.259579
                2s
                   +0 :              -0.00006859312185
                2p
                   -1 :               0.00003493090559
                   +0 :               0.00000208456103
                   +1 :               0.00000530376335
                3s
                   +0 :               0.00037870526665
                4s
                   +0 :              -0.00011483643997
                3p
                   -1 :              -0.00011320871433
                   +0 :               0.00006333547685
                   +1 :              -0.00005505670707
                4p
                   -1 :               0.00001419421970
                   +0 :               0.00004137139315
                   +1 :              -0.00001395909384
                3d
                   -2 :              -0.00011077267189
                   -1 :               0.00010179428360
                   +0 :               0.00000693757302
                   +1 :              -0.00001373551000
                   +2 :               0.00005580001292
             10 vec=    12.757651      7.607297     -5.671873   |vec|=   15.899647
                2s
                   +0 :               0.00011694964231
                2p
                   -1 :               0.00003652572800
                   +0 :              -0.00001362618445
                   +1 :               0.00009387385799
                3s
                   +0 :              -0.00022369760439
                4s
                   +0 :               0.00004173821172
                3p
                   -1 :              -0.00013225004840
                   +0 :              -0.00000276006852
                   +1 :              -0.00040157660697
                4p
                   -1 :               0.00002479129879
                   +0 :               0.00002440763754
                   +1 :               0.00007834415619
                3d
                   -2 :              -0.00005588589663
                   -1 :               0.00002957315836
                   +0 :               0.00006993359982
                   +1 :               0.00003243282984
                   +2 :              -0.00007908335709
             11 vec=     4.977489    -14.852098     -5.671873   |vec|=   16.659243
                2s
                   +0 :               0.00005274348581
                2p
                   -1 :              -0.00004660749124
                   +0 :              -0.00000323611386
                   +1 :               0.00003264615329
                3s
                   +0 :              -0.00013297792024
                4s
                   +0 :               0.00003683698242
                3p
                   -1 :               0.00019064628329
                   +0 :               0.00004478719148
                   +1 :              -0.00013554926802
                4p
                   -1 :              -0.00003413939630
                   +0 :               0.00000797481029
                   +1 :               0.00002727032680
                3d
                   -2 :               0.00003480334786
                   -1 :              -0.00007198419537
                   +0 :              -0.00001226137049
                   +1 :               0.00002175263803
                   +2 :               0.00003892982491
             12 vec=   -10.582837     12.099176     -5.671873   |vec|=   17.045722
                2s
                   +0 :              -0.00002406540004
                2p
                   -1 :               0.00000442233292
                   +0 :               0.00001211277491
                   +1 :               0.00003448085333
                3s
                   +0 :              -0.00003834703357
                4s
                   +0 :              -0.00002759082882
                3p
                   -1 :              -0.00004670860715
                   +0 :              -0.00002734080980
                   +1 :              -0.00011308682264
                4p
                   -1 :               0.00000846284913
                   +0 :               0.00000159256508
                   +1 :               0.00003844423322
                3d
                   -2 :               0.00000955090631
                   -1 :              -0.00000402896379
                   +0 :               0.00000549142507
                   +1 :               0.00004087408865
                   +2 :               0.00001464838563
             13 vec=    12.757651    -10.360219     -5.671873   |vec|=   17.385683
                2s
                   +0 :              -0.00001750994509
                2p
                   -1 :               0.00001524203013
                   +0 :               0.00000394864815
                   +1 :              -0.00001867571003
                3s
                   +0 :               0.00011534735330
                4s
                   +0 :              -0.00005662356904
                3p
                   -1 :              -0.00009951806935
                   +0 :              -0.00007191032428
                   +1 :               0.00010312951336
                4p
                   -1 :               0.00002763623546
                   +0 :               0.00002728327756
                   +1 :              -0.00004593457436
                3d
                   -2 :              -0.00000793933294
                   -1 :               0.00001226662231
                   +0 :               0.00002469657013
                   +1 :              -0.00001069542331
                   +2 :              -0.00000875400138
             14 vec=    -2.802674     16.591055     -5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00001260764268
                2p
                   -1 :              -0.00000040608025
                   +0 :               0.00000409808472
                   +1 :              -0.00001021609538
                3s
                   +0 :              -0.00005372171143
                4s
                   +0 :               0.00000061671653
                3p
                   -1 :               0.00001813097011
                   +0 :              -0.00004422887288
                   +1 :               0.00002597844018
                4p
                   -1 :              -0.00001198569764
                   +0 :               0.00001383485917
                   +1 :              -0.00000669763603
                3d
                   -2 :              -0.00003557426551
                   -1 :              -0.00000249060261
                   +0 :              -0.00001736727897
                   +1 :               0.00000403643793
                   +2 :              -0.00000557847800
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al(  9)  npairs=  13
              1 vec=     2.384101     -1.376461     -9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00009214089658
                2p
                   -1 :              -0.00001272077905
                   +0 :               0.00001576500618
                   +1 :              -0.00014532258860
                3s
                   +0 :               0.00022550798521
                4s
                   +0 :              -0.00003403309409
                3p
                   -1 :               0.00023984770638
                   +0 :               0.00007713769725
                   +1 :              -0.00024160719361
                4p
                   -1 :              -0.00011282739779
                   +0 :               0.00000480144708
                   +1 :               0.00010994050551
                3d
                   -2 :               0.00011343137918
                   -1 :              -0.00019491377517
                   +0 :              -0.00011392847233
                   +1 :               0.00013919787986
                   +2 :               0.00042690342169
              2 vec=    -5.396061      3.115418     -9.762967   |vec|=   11.581832
                2s
                   +0 :               0.00044017678909
                2p
                   -1 :              -0.00005672973912
                   +0 :              -0.00012806077889
                   +1 :               0.00009683365508
                3s
                   +0 :              -0.00204440391875
                4s
                   +0 :               0.00076782502877
                3p
                   -1 :               0.00024035258207
                   +0 :               0.00112185293461
                   +1 :              -0.00052163945878
                4p
                   -1 :               0.00014461453955
                   +0 :              -0.00037480443548
                   +1 :               0.00015200346043
                3d
                   -2 :              -0.00023764205442
                   -1 :               0.00006686768069
                   +0 :              -0.00022385464145
                   +1 :               0.00009812408801
                   +2 :               0.00001403992269
              3 vec=    -5.396061     -5.868340     -9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00018775555291
                2p
                   -1 :               0.00004491481880
                   +0 :               0.00001078215781
                   +1 :              -0.00011647694730
                3s
                   +0 :              -0.00045388992675
                4s
                   +0 :               0.00008537355367
                3p
                   -1 :              -0.00019907557627
                   +0 :              -0.00018538690099
                   +1 :               0.00043537167442
                4p
                   -1 :               0.00010078682701
                   +0 :               0.00009481472638
                   +1 :              -0.00008898453208
                3d
                   -2 :               0.00002921246931
                   -1 :               0.00005136392983
                   +0 :               0.00002854090453
                   +1 :               0.00005438121192
                   +2 :              -0.00000300709269
              4 vec=     2.384101      7.607297     -9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00024160121944
                2p
                   -1 :              -0.00003312128302
                   +0 :               0.00006703222085
                   +1 :               0.00003505565958
                3s
                   +0 :               0.00209843356742
                4s
                   +0 :              -0.00035125471309
                3p
                   -1 :               0.00142431759054
                   +0 :              -0.00065576395614
                   +1 :              -0.00046408399940
                4p
                   -1 :              -0.00011298822969
                   +0 :               0.00013262570341
                   +1 :              -0.00000585692577
                3d
                   -2 :              -0.00027585832895
                   -1 :              -0.00013266262307
                   +0 :              -0.00025139509698
                   +1 :               0.00006384302158
                   +2 :              -0.00019263734388
              5 vec=     2.384101    -10.360219     -9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00024195816020
                2p
                   -1 :              -0.00000367874514
                   +0 :               0.00003976855157
                   +1 :              -0.00000595070845
                3s
                   +0 :               0.00083502819295
                4s
                   +0 :              -0.00016975571591
                3p
                   -1 :               0.00006493395530
                   +0 :              -0.00015356935652
                   +1 :               0.00006778660113
                4p
                   -1 :              -0.00004498564369
                   +0 :              -0.00002687991740
                   +1 :              -0.00000359156884
                3d
                   -2 :               0.00008977942825
                   -1 :              -0.00004428607058
                   +0 :               0.00000117348564
                   +1 :               0.00001915133885
                   +2 :               0.00009683814888
              6 vec=    10.164264      3.115418     -9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00009678764959
                2p
                   -1 :               0.00008354159965
                   +0 :               0.00003044157676
                   +1 :              -0.00004982955413
                3s
                   +0 :               0.00062901594852
                4s
                   +0 :              -0.00015627769525
                3p
                   -1 :              -0.00048431612060
                   +0 :              -0.00032607990969
                   +1 :               0.00028148774126
                4p
                   -1 :               0.00010468362344
                   +0 :               0.00009194280010
                   +1 :              -0.00004516575622
                3d
                   -2 :              -0.00001266623479
                   -1 :               0.00004365067375
                   +0 :               0.00003768009382
                   +1 :              -0.00006873887309
                   +2 :              -0.00001793477538
              7 vec=     2.384101     -1.376461     14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00006242627751
                2p
                   -1 :              -0.00001159718041
                   +0 :               0.00002120440686
                   +1 :              -0.00002622802664
                3s
                   +0 :              -0.00014019099505
                4s
                   +0 :               0.00004952008464
                3p
                   -1 :               0.00008518474045
                   +0 :              -0.00001350339358
                   +1 :               0.00007253078387
                4p
                   -1 :               0.00000587942443
                   +0 :               0.00001068515789
                   +1 :               0.00002076434594
                3d
                   -2 :              -0.00000932377234
                   -1 :              -0.00001783406672
                   +0 :               0.00002101313191
                   +1 :               0.00002356084835
                   +2 :               0.00010248863090
              8 vec=    10.164264     -5.868340     -9.762967   |vec|=   15.266473
                2s
                   +0 :               0.00017624485224
                2p
                   -1 :              -0.00001020605766
                   +0 :              -0.00007778056102
                   +1 :               0.00008461454299
                3s
                   +0 :              -0.00074972662133
                4s
                   +0 :               0.00022281436972
                3p
                   -1 :               0.00011104858918
                   +0 :               0.00039998709148
                   +1 :              -0.00058900850991
                4p
                   -1 :              -0.00003081955517
                   +0 :              -0.00009958303767
                   +1 :               0.00012698651195
                3d
                   -2 :               0.00001316945775
                   -1 :              -0.00005908082791
                   +0 :               0.00004147805281
                   +1 :               0.00013260149210
                   +2 :              -0.00012611986538
              9 vec=    -5.396061      3.115418     14.784576   |vec|=   16.043908
                2s
                   +0 :               0.00005289449148
                2p
                   -1 :              -0.00002017935130
                   +0 :               0.00002454664756
                   +1 :              -0.00003978748705
                3s
                   +0 :              -0.00028586629164
                4s
                   +0 :               0.00010300887909
                3p
                   -1 :               0.00015057485883
                   +0 :              -0.00018548226787
                   +1 :               0.00011374367814
                4p
                   -1 :              -0.00003558317061
                   +0 :               0.00004406694521
                   +1 :              -0.00003890020996
                3d
                   -2 :              -0.00000465728521
                   -1 :               0.00000140397934
                   +0 :              -0.00002409418775
                   +1 :               0.00001535244021
                   +2 :               0.00001237251727
             10 vec=   -13.176224     -1.376461     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00004463072237
                2p
                   -1 :               0.00003455666837
                   +0 :              -0.00002707080821
                   +1 :              -0.00004175047750
                3s
                   +0 :              -0.00031190054160
                4s
                   +0 :               0.00008963600497
                3p
                   -1 :              -0.00015639489681
                   +0 :               0.00018203041240
                   +1 :               0.00028081852769
                4p
                   -1 :               0.00003396905049
                   +0 :              -0.00004371957609
                   +1 :              -0.00006179257016
                3d
                   -2 :              -0.00002469633371
                   -1 :               0.00001145580905
                   +0 :              -0.00000095561418
                   +1 :              -0.00008357435476
                   +2 :              -0.00008847660631
             11 vec=    -5.396061     12.099176     -9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00002144649031
                2p
                   -1 :              -0.00002773362077
                   +0 :              -0.00000491638620
                   +1 :              -0.00001320867304
                3s
                   +0 :              -0.00015658329886
                4s
                   +0 :              -0.00000446819852
                3p
                   -1 :               0.00004172030627
                   +0 :               0.00018379091688
                   +1 :               0.00007677678536
                4p
                   -1 :              -0.00001652934361
                   +0 :              -0.00002694775962
                   +1 :              -0.00004576214983
                3d
                   -2 :               0.00001709303579
                   -1 :               0.00004456445944
                   +0 :              -0.00004677737606
                   +1 :              -0.00000824981835
                   +2 :              -0.00000704330920
             12 vec=    -5.396061     -5.868340     14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00004212781578
                2p
                   -1 :               0.00005751058887
                   +0 :              -0.00000106513733
                   +1 :              -0.00000410149383
                3s
                   +0 :              -0.00014105578414
                4s
                   +0 :              -0.00002191636482
                3p
                   -1 :              -0.00019169186776
                   +0 :               0.00001238594285
                   +1 :              -0.00000547090569
                4p
                   -1 :               0.00005628079042
                   +0 :              -0.00004518919350
                   +1 :              -0.00000307697278
                3d
                   -2 :               0.00000967908162
                   -1 :              -0.00001581864245
                   +0 :               0.00005836498405
                   +1 :              -0.00002455316098
                   +2 :               0.00004562876671
             13 vec=     2.384101      7.607297     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00000471831578
                2p
                   -1 :               0.00001755802756
                   +0 :              -0.00001346578307
                   +1 :              -0.00002998568587
                3s
                   +0 :              -0.00012708051697
                4s
                   +0 :               0.00001135159524
                3p
                   -1 :              -0.00017052195894
                   +0 :              -0.00006083998266
                   +1 :               0.00004218086670
                4p
                   -1 :               0.00004005474754
                   +0 :              -0.00001110128265
                   +1 :              -0.00001457526106
                3d
                   -2 :              -0.00003042471164
                   -1 :              -0.00005327109249
                   +0 :              -0.00002241220390
                   +1 :              -0.00002191114347
                   +2 :               0.00003498450603
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al( 10)  npairs=  14
              1 vec=     2.384101     -1.376461     -2.510641   |vec|=    3.725842
                2s
                   +0 :               0.01820908065951
                2p
                   -1 :              -0.00965502536432
                   +0 :              -0.01834451786574
                   +1 :               0.01719158331091
                3s
                   +0 :               0.05629947833020
                4s
                   +0 :               0.00591002779617
                3p
                   -1 :              -0.03218798851918
                   +0 :              -0.05307639284159
                   +1 :               0.00896341884251
                4p
                   -1 :              -0.00079161350136
                   +0 :              -0.00658752916126
                   +1 :               0.01063369703945
                3d
                   -2 :              -0.01681658683990
                   -1 :               0.02652096281631
                   +0 :               0.02080080155838
                   +1 :              -0.02657335553597
                   +2 :              -0.00473818269809
              2 vec=    -5.396061      3.115418     -2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00000843067574
                2p
                   -1 :               0.00004132457396
                   +0 :              -0.00053917274278
                   +1 :              -0.00071555087173
                3s
                   +0 :               0.00828775045040
                4s
                   +0 :              -0.00004968868457
                3p
                   -1 :               0.00556750711783
                   +0 :              -0.00297344518334
                   +1 :              -0.00329927720366
                4p
                   -1 :              -0.00031159639564
                   +0 :               0.00003987878604
                   +1 :              -0.00092554706411
                3d
                   -2 :              -0.00115943367294
                   -1 :               0.00066499132389
                   +0 :              -0.00007726863936
                   +1 :               0.00075291381074
                   +2 :              -0.00103681551279
              3 vec=    -5.396061     -5.868340     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00117427408405
                2p
                   -1 :               0.00103685453269
                   +0 :              -0.00044382034782
                   +1 :               0.00033275298378
                3s
                   +0 :               0.00158252864341
                4s
                   +0 :              -0.00114667220512
                3p
                   -1 :              -0.00586254082984
                   +0 :               0.00521737263769
                   +1 :              -0.00176866323065
                4p
                   -1 :               0.00100844153991
                   +0 :              -0.00067760655884
                   +1 :               0.00131642958695
                3d
                   -2 :               0.00143908934068
                   -1 :               0.00028730395285
                   +0 :              -0.00260643665524
                   +1 :              -0.00118001194375
                   +2 :              -0.00127442556590
              4 vec=     2.384101      7.607297     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00012706035987
                2p
                   -1 :              -0.00020439989440
                   +0 :               0.00032189869436
                   +1 :              -0.00002077981679
                3s
                   +0 :               0.00485056203246
                4s
                   +0 :              -0.00185029766008
                3p
                   -1 :               0.00331547752812
                   +0 :              -0.00446202481546
                   +1 :               0.00023078694073
                4p
                   -1 :              -0.00132250721853
                   +0 :               0.00089139044663
                   +1 :              -0.00067343234893
                3d
                   -2 :              -0.00039754671010
                   -1 :              -0.00133708588285
                   +0 :               0.00049148229450
                   +1 :               0.00003578536691
                   +2 :              -0.00002912918531
              5 vec=     2.384101    -10.360219     -2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00029074232088
                2p
                   -1 :              -0.00000537551540
                   +0 :               0.00017360301969
                   +1 :              -0.00003356544503
                3s
                   +0 :              -0.00124893817866
                4s
                   +0 :              -0.00011892746305
                3p
                   -1 :               0.00017204112433
                   +0 :              -0.00068666296808
                   +1 :               0.00000127704833
                4p
                   -1 :               0.00028209632251
                   +0 :               0.00030589482685
                   +1 :              -0.00000329208079
                3d
                   -2 :              -0.00002250170872
                   -1 :               0.00013686521207
                   +0 :              -0.00015719425481
                   +1 :               0.00026898036493
                   +2 :              -0.00008449011790
              6 vec=    10.164264      3.115418     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00020071865024
                2p
                   -1 :               0.00003954162979
                   +0 :               0.00006656355176
                   +1 :              -0.00020587866089
                3s
                   +0 :               0.00068539028730
                4s
                   +0 :              -0.00031762229913
                3p
                   -1 :               0.00009644628827
                   +0 :              -0.00025557891712
                   +1 :               0.00076409851951
                4p
                   -1 :              -0.00009219003493
                   +0 :               0.00004346568919
                   +1 :              -0.00022627928221
                3d
                   -2 :              -0.00003368220990
                   -1 :              -0.00037894584315
                   +0 :              -0.00030264171859
                   +1 :              -0.00005991109402
                   +2 :               0.00015605961527
              7 vec=    10.164264     -5.868340     -2.510641   |vec|=   12.002208
                2s
                   +0 :               0.00030082753151
                2p
                   -1 :              -0.00009124550080
                   +0 :              -0.00020868814152
                   +1 :               0.00014901923598
                3s
                   +0 :              -0.00057524967305
                4s
                   +0 :               0.00048635684175
                3p
                   -1 :               0.00039467111003
                   +0 :               0.00030880569197
                   +1 :              -0.00045103522276
                4p
                   -1 :              -0.00015063843917
                   +0 :              -0.00018927671345
                   +1 :               0.00023265294748
                3d
                   -2 :              -0.00007779995408
                   -1 :              -0.00008289264708
                   +0 :               0.00006582132757
                   +1 :              -0.00016516315899
                   +2 :              -0.00009803882413
              8 vec=   -13.176224     -1.376461     -2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00013960057564
                2p
                   -1 :              -0.00009431658827
                   +0 :              -0.00002263031052
                   +1 :              -0.00000495515012
                3s
                   +0 :              -0.00173623686841
                4s
                   +0 :               0.00040615693837
                3p
                   -1 :               0.00105113798631
                   +0 :               0.00105271752395
                   +1 :               0.00053058686571
                4p
                   -1 :              -0.00023255438722
                   +0 :              -0.00007605507860
                   +1 :              -0.00010882970382
                3d
                   -2 :              -0.00025891951328
                   -1 :              -0.00024500116116
                   +0 :              -0.00031146575058
                   +1 :              -0.00030696484243
                   +2 :               0.00000198810719
              9 vec=    -5.396061     12.099176     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00010149140221
                2p
                   -1 :              -0.00013239053807
                   +0 :               0.00012202089272
                   +1 :              -0.00001097605273
                3s
                   +0 :              -0.00010819340962
                4s
                   +0 :              -0.00015720524395
                3p
                   -1 :               0.00040700881655
                   +0 :              -0.00014719697884
                   +1 :               0.00003415852361
                4p
                   -1 :              -0.00019848447968
                   +0 :               0.00014737297868
                   +1 :              -0.00003156164100
                3d
                   -2 :              -0.00002933120807
                   -1 :               0.00010274938254
                   +0 :              -0.00021504935135
                   +1 :               0.00012813886774
                   +2 :              -0.00000481987783
             10 vec=   -13.176224      7.607297     -2.510641   |vec|=   15.420349
                2s
                   +0 :               0.00007361530954
                2p
                   -1 :               0.00004436023349
                   +0 :              -0.00001983787976
                   +1 :              -0.00003675236809
                3s
                   +0 :              -0.00039501452968
                4s
                   +0 :               0.00013332391902
                3p
                   -1 :              -0.00024509631993
                   +0 :               0.00017315254180
                   +1 :               0.00020617867636
                4p
                   -1 :               0.00004965375160
                   +0 :              -0.00005073871712
                   +1 :              -0.00008258480723
                3d
                   -2 :               0.00001499664314
                   -1 :               0.00004588209248
                   +0 :               0.00002918076755
                   +1 :              -0.00002760914932
                   +2 :              -0.00001593231682
             11 vec=    -5.396061    -14.852098     -2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00007855026727
                2p
                   -1 :              -0.00007822600867
                   +0 :               0.00000594739724
                   +1 :              -0.00005181398280
                3s
                   +0 :              -0.00013688825001
                4s
                   +0 :               0.00008312286154
                3p
                   -1 :               0.00030356206629
                   +0 :              -0.00005332857777
                   +1 :               0.00020735540587
                4p
                   -1 :              -0.00008828635172
                   +0 :              -0.00002362191042
                   +1 :              -0.00006098296593
                3d
                   -2 :               0.00000259701760
                   -1 :              -0.00000129835049
                   +0 :               0.00005299954883
                   +1 :               0.00002963549686
                   +2 :               0.00005217076149
             12 vec=    10.164264     12.099176     -2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00004236051379
                2p
                   -1 :               0.00003360008029
                   +0 :              -0.00001441829496
                   +1 :              -0.00001098585341
                3s
                   +0 :               0.00003176743238
                4s
                   +0 :              -0.00003667602618
                3p
                   -1 :              -0.00006491931727
                   +0 :              -0.00001656153998
                   +1 :               0.00004812839707
                4p
                   -1 :              -0.00000938952162
                   +0 :              -0.00000257931864
                   +1 :              -0.00002621361035
                3d
                   -2 :              -0.00001049058370
                   -1 :              -0.00002556006929
                   +0 :               0.00002868330025
                   +1 :               0.00000371319506
                   +2 :              -0.00001425150492
             13 vec=   -13.176224    -10.360219     -2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00003134937610
                2p
                   -1 :               0.00001650908251
                   +0 :               0.00002303848684
                   +1 :               0.00000901196850
                3s
                   +0 :               0.00004814223548
                4s
                   +0 :              -0.00004550476261
                3p
                   -1 :              -0.00004658362349
                   +0 :              -0.00008143754161
                   +1 :              -0.00003095258914
                4p
                   -1 :               0.00000754447428
                   +0 :               0.00003520009861
                   +1 :               0.00000751061585
                3d
                   -2 :               0.00000236518195
                   -1 :              -0.00001963806550
                   +0 :               0.00002702266848
                   +1 :               0.00002363635022
                   +2 :              -0.00000034597994
             14 vec=     2.384101     16.591055     -2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00000531280681
                2p
                   -1 :              -0.00000226497887
                   +0 :               0.00000388390495
                   +1 :               0.00000410586827
                3s
                   +0 :              -0.00000635590348
                4s
                   +0 :               0.00001686548724
                3p
                   -1 :              -0.00000502733187
                   +0 :              -0.00001435867887
                   +1 :              -0.00004207414889
                4p
                   -1 :               0.00000877637421
                   +0 :              -0.00000462517803
                   +1 :               0.00002632942878
                3d
                   -2 :              -0.00001447108837
                   -1 :               0.00000261198745
                   +0 :               0.00000949675966
                   +1 :              -0.00000923612298
                   +2 :              -0.00000026593325
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al( 11)  npairs=  13
              1 vec=     2.384101     -1.376461      9.763130   |vec|=   10.143831
                2s
                   +0 :              -0.00021772421224
                2p
                   -1 :               0.00024586398811
                   +0 :              -0.00013226834769
                   +1 :              -0.00005474374462
                3s
                   +0 :              -0.00015049683883
                4s
                   +0 :               0.00012842271774
                3p
                   -1 :              -0.00080179059783
                   +0 :               0.00010399138980
                   +1 :              -0.00068611745632
                4p
                   -1 :               0.00037435032933
                   +0 :               0.00005147986624
                   +1 :               0.00006754533043
                3d
                   -2 :              -0.00051440744085
                   -1 :               0.00007537863827
                   +0 :              -0.00003980867535
                   +1 :              -0.00017551367503
                   +2 :              -0.00015349581370
              2 vec=    -5.396061      3.115418      9.763130   |vec|=   11.581970
                2s
                   +0 :               0.00039688478999
                2p
                   -1 :               0.00037508504323
                   +0 :               0.00015495356431
                   +1 :              -0.00001165595219
                3s
                   +0 :              -0.00154656020941
                4s
                   +0 :               0.00071286029087
                3p
                   -1 :              -0.00161098296779
                   +0 :              -0.00118994808020
                   +1 :               0.00033349756042
                4p
                   -1 :               0.00028481785900
                   +0 :               0.00049357733061
                   +1 :              -0.00019796137392
                3d
                   -2 :               0.00010295295331
                   -1 :              -0.00039568004530
                   +0 :              -0.00022959104696
                   +1 :               0.00001407524207
                   +2 :               0.00026166949145
              3 vec=    -5.396061     -5.868340      9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00005942477774
                2p
                   -1 :               0.00012882721557
                   +0 :              -0.00011123956440
                   +1 :               0.00025562195985
                3s
                   +0 :               0.00031422461403
                4s
                   +0 :              -0.00025725682778
                3p
                   -1 :              -0.00085119389457
                   +0 :               0.00072377475263
                   +1 :              -0.00102949137053
                4p
                   -1 :               0.00031866149432
                   +0 :              -0.00038578386444
                   +1 :               0.00015826327650
                3d
                   -2 :               0.00005018388806
                   -1 :              -0.00018797536961
                   +0 :              -0.00001478522750
                   +1 :              -0.00009199379490
                   +2 :              -0.00015250866267
              4 vec=     2.384101      7.607297      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00000874928829
                2p
                   -1 :               0.00007887285335
                   +0 :              -0.00001972244541
                   +1 :              -0.00003268080748
                3s
                   +0 :               0.00130120691111
                4s
                   +0 :              -0.00002326724041
                3p
                   -1 :               0.00096372723356
                   +0 :               0.00047756086338
                   +1 :               0.00047759978611
                4p
                   -1 :               0.00002133509656
                   +0 :              -0.00004789545821
                   +1 :              -0.00007952006607
                3d
                   -2 :               0.00009004857897
                   -1 :               0.00031941998326
                   +0 :              -0.00015361416781
                   +1 :               0.00010591255331
                   +2 :              -0.00042473930748
              5 vec=     2.384101    -10.360219      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00012231233152
                2p
                   -1 :              -0.00004347973703
                   +0 :              -0.00003013065854
                   +1 :               0.00008861740932
                3s
                   +0 :               0.00027877144475
                4s
                   +0 :              -0.00006514770130
                3p
                   -1 :               0.00038880327660
                   +0 :               0.00004734475955
                   +1 :              -0.00045458732112
                4p
                   -1 :              -0.00013804257484
                   +0 :               0.00001309642975
                   +1 :               0.00004705229564
                3d
                   -2 :               0.00014988092899
                   -1 :               0.00009387383781
                   +0 :               0.00002041484403
                   +1 :              -0.00014429019997
                   +2 :               0.00018471662226
              6 vec=    10.164264      3.115418      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00002466813249
                2p
                   -1 :              -0.00007616310875
                   +0 :              -0.00001938007499
                   +1 :              -0.00007911080404
                3s
                   +0 :               0.00022249953829
                4s
                   +0 :              -0.00019867312236
                3p
                   -1 :               0.00037216063830
                   +0 :               0.00016226538642
                   +1 :               0.00040657119099
                4p
                   -1 :              -0.00013326592458
                   +0 :              -0.00008351255284
                   +1 :              -0.00015882545234
                3d
                   -2 :               0.00010293574149
                   -1 :               0.00010270026660
                   +0 :               0.00004369774573
                   +1 :               0.00002755380833
                   +2 :               0.00000259280499
              7 vec=     2.384101     -1.376461    -14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00001101265970
                2p
                   -1 :               0.00004693400243
                   +0 :               0.00000244433763
                   +1 :               0.00003941970992
                3s
                   +0 :               0.00007933338883
                4s
                   +0 :              -0.00002503871343
                3p
                   -1 :              -0.00019295190587
                   +0 :              -0.00009160439906
                   +1 :              -0.00014770647548
                4p
                   -1 :               0.00001207497206
                   +0 :               0.00002971183601
                   +1 :               0.00001039927553
                3d
                   -2 :              -0.00010700092384
                   -1 :               0.00003597080482
                   +0 :               0.00002988053138
                   +1 :               0.00000006816675
                   +2 :              -0.00000886321957
              8 vec=    10.164264     -5.868340      9.763130   |vec|=   15.266578
                2s
                   +0 :               0.00032492433670
                2p
                   -1 :              -0.00017819950643
                   +0 :               0.00014746999219
                   +1 :               0.00011933053477
                3s
                   +0 :              -0.00104330333239
                4s
                   +0 :               0.00025018436243
                3p
                   -1 :               0.00102907310938
                   +0 :              -0.00066282035646
                   +1 :              -0.00052617315436
                4p
                   -1 :              -0.00027608905536
                   +0 :               0.00013326071206
                   +1 :               0.00006127534395
                3d
                   -2 :               0.00021886152729
                   -1 :               0.00016922720119
                   +0 :               0.00001534060400
                   +1 :              -0.00022789135463
                   +2 :              -0.00006011285833
              9 vec=    -5.396061      3.115418    -14.784412   |vec|=   16.043757
                2s
                   +0 :               0.00015991291327
                2p
                   -1 :               0.00001298925123
                   +0 :              -0.00003940577248
                   +1 :              -0.00004959262297
                3s
                   +0 :              -0.00071658024579
                4s
                   +0 :               0.00018070180350
                3p
                   -1 :               0.00007812080243
                   +0 :               0.00022716366820
                   +1 :               0.00014984559088
                4p
                   -1 :               0.00000981368018
                   +0 :              -0.00003533365762
                   +1 :              -0.00003605761942
                3d
                   -2 :               0.00002255330840
                   -1 :              -0.00001575063252
                   +0 :               0.00002290665720
                   +1 :              -0.00000412692614
                   +2 :               0.00000313138459
             10 vec=   -13.176224     -1.376461      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00010085730266
                2p
                   -1 :               0.00005268409820
                   +0 :              -0.00000384207001
                   +1 :               0.00010564636203
                3s
                   +0 :               0.00020608454298
                4s
                   +0 :              -0.00008446318375
                3p
                   -1 :              -0.00017772218259
                   +0 :              -0.00006479529948
                   +1 :              -0.00041517978013
                4p
                   -1 :               0.00001777969969
                   +0 :               0.00002036523856
                   +1 :               0.00009139685328
                3d
                   -2 :               0.00001513956167
                   -1 :              -0.00002720893436
                   +0 :              -0.00002545323805
                   +1 :              -0.00001427280599
                   +2 :               0.00005789788220
             11 vec=    -5.396061     12.099176      9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00002002368559
                2p
                   -1 :               0.00001597188103
                   +0 :               0.00001507406593
                   +1 :              -0.00000859970184
                3s
                   +0 :              -0.00014573886035
                4s
                   +0 :               0.00001798287617
                3p
                   -1 :              -0.00014338363663
                   +0 :              -0.00011221921674
                   +1 :              -0.00002640618145
                4p
                   -1 :               0.00002446870656
                   +0 :               0.00000709803524
                   +1 :               0.00002058096959
                3d
                   -2 :              -0.00000480247752
                   -1 :              -0.00004274133397
                   +0 :              -0.00001720242049
                   +1 :               0.00000169752864
                   +2 :               0.00003145300295
             12 vec=    -5.396061     -5.868340    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00009052676585
                2p
                   -1 :              -0.00002857828437
                   +0 :              -0.00001506842927
                   +1 :               0.00001362734290
                3s
                   +0 :              -0.00042593136793
                4s
                   +0 :               0.00009080585983
                3p
                   -1 :               0.00027279357845
                   +0 :               0.00012623284007
                   +1 :              -0.00005602440311
                4p
                   -1 :              -0.00003277077209
                   +0 :              -0.00000065673084
                   +1 :               0.00000077478229
                3d
                   -2 :              -0.00001183567572
                   -1 :              -0.00006226512840
                   +0 :               0.00003463403462
                   +1 :              -0.00000284780046
                   +2 :               0.00008337728949
             13 vec=     2.384101      7.607297    -14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00003680310115
                2p
                   -1 :              -0.00002816525996
                   +0 :               0.00001030913859
                   +1 :              -0.00000162004729
                3s
                   +0 :               0.00013090220457
                4s
                   +0 :              -0.00000855386066
                3p
                   -1 :               0.00011729286008
                   +0 :               0.00002299385656
                   +1 :              -0.00023081374775
                4p
                   -1 :              -0.00002177465457
                   +0 :               0.00000767434455
                   +1 :               0.00001322954008
                3d
                   -2 :              -0.00004849800643
                   -1 :               0.00001079189753
                   +0 :              -0.00004018935477
                   +1 :               0.00005189762940
                   +2 :               0.00003521406883
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site Al( 12)  npairs=  14
              1 vec=     2.384101     -1.376461      2.510804   |vec|=    3.725953
                2s
                   +0 :               0.02122439712103
                2p
                   -1 :              -0.01382608606921
                   +0 :               0.01902481410979
                   +1 :               0.01716428067529
                3s
                   +0 :               0.06208371371531
                4s
                   +0 :               0.00908807891218
                3p
                   -1 :              -0.01449097229591
                   +0 :               0.05429012037505
                   +1 :               0.02072033053113
                4p
                   -1 :              -0.00919322770302
                   +0 :               0.00803709342588
                   +1 :               0.00888647649081
                3d
                   -2 :              -0.01853523513350
                   -1 :              -0.02732423709814
                   +0 :               0.01966917566647
                   +1 :               0.02930685376092
                   +2 :              -0.00058785254341
              2 vec=    -5.396061      3.115418      2.510804   |vec|=    6.717696
                2s
                   +0 :               0.00362125559107
                2p
                   -1 :               0.00231686778732
                   +0 :               0.00144885199391
                   +1 :              -0.00175591329725
                3s
                   +0 :              -0.01048319467800
                4s
                   +0 :               0.00802140369427
                3p
                   -1 :              -0.00879884374147
                   +0 :              -0.00457421453221
                   +1 :               0.00268278877604
                4p
                   -1 :               0.00376195398304
                   +0 :               0.00246634816968
                   +1 :              -0.00298036020520
                3d
                   -2 :               0.00000115928161
                   -1 :              -0.00142338210410
                   +0 :              -0.00069794551612
                   +1 :               0.00054259513723
                   +2 :              -0.00005411731795
              3 vec=    -5.396061     -5.868340      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00086205538964
                2p
                   -1 :               0.00018951862157
                   +0 :               0.00035308424599
                   +1 :              -0.00083988578711
                3s
                   +0 :              -0.00309936468494
                4s
                   +0 :              -0.00190491730313
                3p
                   -1 :              -0.00602344372312
                   +0 :              -0.00437406650901
                   +1 :               0.00460438019152
                4p
                   -1 :               0.00301512038031
                   +0 :              -0.00005995445488
                   +1 :              -0.00010910464307
                3d
                   -2 :               0.00104484656693
                   -1 :              -0.00105263896017
                   +0 :              -0.00132644524334
                   +1 :               0.00106486020611
                   +2 :              -0.00152888625033
              4 vec=     2.384101      7.607297      2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00022726327375
                2p
                   -1 :               0.00012997548974
                   +0 :               0.00013709611448
                   +1 :              -0.00037626488108
                3s
                   +0 :               0.00274595634217
                4s
                   +0 :              -0.00008362590591
                3p
                   -1 :               0.00014004389986
                   +0 :               0.00133315052404
                   +1 :               0.00061278142715
                4p
                   -1 :               0.00021292901268
                   +0 :               0.00020150502683
                   +1 :              -0.00023061102966
                3d
                   -2 :               0.00023875912463
                   -1 :               0.00069650562427
                   +0 :               0.00076461929297
                   +1 :              -0.00034201270027
                   +2 :               0.00037714227519
              5 vec=     2.384101    -10.360219      2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00027773494118
                2p
                   -1 :               0.00002877252232
                   +0 :              -0.00001807006593
                   +1 :               0.00006042596370
                3s
                   +0 :               0.00053101173496
                4s
                   +0 :              -0.00043376358380
                3p
                   -1 :               0.00031802007869
                   +0 :              -0.00015875751508
                   +1 :              -0.00069010875234
                4p
                   -1 :               0.00002866106016
                   +0 :               0.00002763488666
                   +1 :               0.00016580630656
                3d
                   -2 :               0.00019385282760
                   -1 :               0.00004476558099
                   +0 :              -0.00014849590689
                   +1 :               0.00000974837811
                   +2 :               0.00005936720298
              6 vec=    10.164264      3.115418      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00060093815416
                2p
                   -1 :              -0.00012857514856
                   +0 :              -0.00006120985291
                   +1 :               0.00023558676792
                3s
                   +0 :              -0.00067756419833
                4s
                   +0 :              -0.00043934292922
                3p
                   -1 :               0.00131461101285
                   +0 :               0.00018475835898
                   +1 :               0.00001121206722
                4p
                   -1 :              -0.00043113171360
                   +0 :              -0.00019341164134
                   +1 :              -0.00045546585420
                3d
                   -2 :               0.00030924196501
                   -1 :               0.00038744574320
                   +0 :              -0.00003173705343
                   +1 :               0.00003631039269
                   +2 :               0.00011199919564
              7 vec=    10.164264     -5.868340      2.510804   |vec|=   12.002242
                2s
                   +0 :               0.00031799738020
                2p
                   -1 :              -0.00010548706835
                   +0 :               0.00012242693596
                   +1 :               0.00009602261021
                3s
                   +0 :              -0.00050980673045
                4s
                   +0 :               0.00037012472428
                3p
                   -1 :               0.00030320297935
                   +0 :               0.00005477068378
                   +1 :              -0.00021888582591
                4p
                   -1 :               0.00000581431008
                   +0 :               0.00012546920721
                   +1 :               0.00020412457318
                3d
                   -2 :               0.00012386572327
                   -1 :              -0.00004207248768
                   +0 :               0.00011870008174
                   +1 :               0.00015095463932
                   +2 :               0.00053376697802
              8 vec=   -13.176224     -1.376461      2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00010352672903
                2p
                   -1 :               0.00038979265800
                   +0 :              -0.00026526155287
                   +1 :               0.00004748729669
                3s
                   +0 :              -0.00046740677055
                4s
                   +0 :              -0.00016282467260
                3p
                   -1 :              -0.00160108124449
                   +0 :               0.00018643012439
                   +1 :               0.00021598530579
                4p
                   -1 :               0.00053860912166
                   +0 :              -0.00011385986432
                   +1 :               0.00004821941523
                3d
                   -2 :               0.00031623976271
                   -1 :               0.00015767477045
                   +0 :              -0.00015206830399
                   +1 :               0.00002570404071
                   +2 :              -0.00020831425415
              9 vec=    -5.396061     12.099176      2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00002263934253
                2p
                   -1 :              -0.00000156524010
                   +0 :              -0.00005224019613
                   +1 :               0.00005353715418
                3s
                   +0 :              -0.00057666324027
                4s
                   +0 :               0.00006538927343
                3p
                   -1 :              -0.00036691410477
                   +0 :              -0.00025151673945
                   +1 :              -0.00047532667544
                4p
                   -1 :               0.00005298213484
                   +0 :              -0.00006733804409
                   +1 :               0.00015396980001
                3d
                   -2 :              -0.00010212928868
                   -1 :              -0.00010803447819
                   +0 :              -0.00017016525814
                   +1 :              -0.00010289369008
                   +2 :               0.00007634924595
             10 vec=   -13.176224      7.607297      2.510804   |vec|=   15.420376
                2s
                   +0 :              -0.00002340243390
                2p
                   -1 :              -0.00001139950371
                   +0 :              -0.00001032684900
                   +1 :              -0.00000893887848
                3s
                   +0 :              -0.00005985922009
                4s
                   +0 :               0.00006079484050
                3p
                   -1 :              -0.00002459869084
                   +0 :               0.00005071461665
                   +1 :               0.00009289615109
                4p
                   -1 :               0.00006226100574
                   +0 :              -0.00003851316259
                   +1 :              -0.00004404266455
                3d
                   -2 :               0.00002559916295
                   -1 :               0.00002747786566
                   +0 :              -0.00000635581781
                   +1 :               0.00001768519462
                   +2 :               0.00000767812219
             11 vec=    -5.396061    -14.852098      2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00000751854726
                2p
                   -1 :              -0.00002709800309
                   +0 :              -0.00002125858969
                   +1 :              -0.00003985421287
                3s
                   +0 :               0.00010728456046
                4s
                   +0 :               0.00004706203256
                3p
                   -1 :               0.00008113085543
                   +0 :               0.00018665446659
                   +1 :               0.00014694281829
                4p
                   -1 :              -0.00005975835704
                   +0 :              -0.00004154188407
                   +1 :              -0.00004108152284
                3d
                   -2 :              -0.00005410431667
                   -1 :               0.00001616370682
                   +0 :               0.00001474252779
                   +1 :              -0.00011237615443
                   +2 :               0.00003360856858
             12 vec=    10.164264     12.099176      2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00004372468229
                2p
                   -1 :               0.00003948799565
                   +0 :               0.00004728899786
                   +1 :              -0.00001016373300
                3s
                   +0 :               0.00001683354742
                4s
                   +0 :               0.00002699630455
                3p
                   -1 :              -0.00018201798660
                   +0 :              -0.00020975763589
                   +1 :               0.00008844363646
                4p
                   -1 :               0.00005278725474
                   +0 :               0.00006247837033
                   +1 :              -0.00003120577382
                3d
                   -2 :              -0.00001897507183
                   -1 :              -0.00001224426250
                   +0 :               0.00003271333774
                   +1 :              -0.00004232948318
                   +2 :              -0.00000139870911
             13 vec=   -13.176224    -10.360219      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00003975615395
                2p
                   -1 :              -0.00002085135036
                   +0 :              -0.00000642648073
                   +1 :               0.00000495781824
                3s
                   +0 :              -0.00024918948120
                4s
                   +0 :               0.00012188639020
                3p
                   -1 :               0.00013411336229
                   +0 :              -0.00004311818521
                   +1 :               0.00002564570225
                4p
                   -1 :              -0.00003403208139
                   +0 :               0.00002381899138
                   +1 :              -0.00003603420018
                3d
                   -2 :              -0.00002105389638
                   -1 :               0.00001123782739
                   +0 :              -0.00001253274276
                   +1 :               0.00002757250835
                   +2 :              -0.00000454850654
             14 vec=     2.384101     16.591055      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00002854290898
                2p
                   -1 :               0.00001963801093
                   +0 :               0.00001265746395
                   +1 :               0.00000572234980
                3s
                   +0 :              -0.00007605941333
                4s
                   +0 :               0.00002873481249
                3p
                   -1 :              -0.00009787870992
                   +0 :              -0.00006293129649
                   +1 :              -0.00002085468550
                4p
                   -1 :               0.00003057130759
                   +0 :               0.00001702124351
                   +1 :               0.00000221726855
                3d
                   -2 :               0.00000651786361
                   -1 :              -0.00001552034479
                   +0 :               0.00000893134538
                   +1 :               0.00000865057888
                   +2 :               0.00000184581202
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 13)  npairs=  14
              1 vec=     2.174555      1.739106     -4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00090587321395
                2s
                   +0 :               0.03675427214684
                3s
                   +0 :              -0.00158860457783
                2p
                   -1 :               0.00911677609460
                   +0 :              -0.02939307335010
                   +1 :               0.00154281397001
                3p
                   -1 :               0.00095574875816
                   +0 :               0.00583404863407
                   +1 :               0.00173398887964
                3d
                   -2 :               0.00088444548934
                   -1 :              -0.00057101406399
                   +0 :               0.00074696521610
                   +1 :               0.00000899425393
                   +2 :              -0.00042373646033
              2 vec=    -5.605607     -2.752773     -4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00025396330942
                2s
                   +0 :               0.00131090964765
                3s
                   +0 :              -0.00062762740424
                2p
                   -1 :               0.00461803590961
                   +0 :              -0.00277450336889
                   +1 :               0.00245458061475
                3p
                   -1 :              -0.00345735586858
                   +0 :               0.00372919377947
                   +1 :              -0.00069520385854
                3d
                   -2 :               0.00024003573583
                   -1 :               0.00004822260694
                   +0 :              -0.00033444467659
                   +1 :               0.00040281188610
                   +2 :               0.00013814697122
              3 vec=     2.174555     -7.244652     -4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00049084220665
                2s
                   +0 :               0.00294507371203
                3s
                   +0 :              -0.00157359172483
                2p
                   -1 :              -0.00290449734718
                   +0 :              -0.00348999941516
                   +1 :               0.00033386183350
                3p
                   -1 :               0.00221722190634
                   +0 :               0.00088095517290
                   +1 :              -0.00069365763800
                3d
                   -2 :               0.00009249506304
                   -1 :              -0.00015795261613
                   +0 :               0.00016423933423
                   +1 :               0.00014524011374
                   +2 :               0.00018400820358
              4 vec=    -5.605607      6.230985     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00021441347182
                2s
                   +0 :              -0.00127888178506
                3s
                   +0 :               0.00028193464194
                2p
                   -1 :              -0.00040229718134
                   +0 :               0.00108887141940
                   +1 :              -0.00060767904909
                3p
                   -1 :              -0.00020901698909
                   +0 :              -0.00055038717205
                   +1 :               0.00117745720443
                3d
                   -2 :               0.00002000343217
                   -1 :              -0.00013599864263
                   +0 :              -0.00000620932621
                   +1 :              -0.00000641334025
                   +2 :              -0.00001356697747
              5 vec=     9.954718     -2.752773     -4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00012978933503
                2s
                   +0 :              -0.00008345943553
                3s
                   +0 :               0.00035330284107
                2p
                   -1 :              -0.00002902092425
                   +0 :              -0.00030509785091
                   +1 :               0.00126707208493
                3p
                   -1 :              -0.00028769096170
                   +0 :              -0.00011687282796
                   +1 :              -0.00063279861638
                3d
                   -2 :              -0.00001074160398
                   -1 :               0.00001820674846
                   +0 :               0.00006796521140
                   +1 :              -0.00002189086152
                   +2 :              -0.00005036534331
              6 vec=     2.174555     10.722864     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00007435424365
                2s
                   +0 :              -0.00033987791629
                3s
                   +0 :               0.00014447104077
                2p
                   -1 :              -0.00042802510856
                   +0 :               0.00013158483386
                   +1 :               0.00010947460314
                3p
                   -1 :               0.00048114170674
                   +0 :              -0.00013847528795
                   +1 :              -0.00024779802952
                3d
                   -2 :              -0.00001736446303
                   -1 :               0.00003798751859
                   +0 :              -0.00002347127740
                   +1 :               0.00001662028486
                   +2 :               0.00001335718835
              7 vec=     9.954718      6.230985     -4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00003272127619
                2s
                   +0 :               0.00070119023320
                3s
                   +0 :              -0.00004016511483
                2p
                   -1 :               0.00019111908472
                   +0 :              -0.00051259744345
                   +1 :               0.00060869666846
                3p
                   -1 :              -0.00012625200362
                   +0 :               0.00039478071944
                   +1 :              -0.00039077778923
                3d
                   -2 :              -0.00000086254720
                   -1 :               0.00003895925238
                   +0 :              -0.00001301828172
                   +1 :               0.00002701226460
                   +2 :              -0.00000386284945
              8 vec=    -5.605607    -11.736531     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00003171757295
                2s
                   +0 :              -0.00002138115241
                3s
                   +0 :              -0.00012503734679
                2p
                   -1 :              -0.00022579303984
                   +0 :               0.00045781106522
                   +1 :               0.00006670396754
                3p
                   -1 :               0.00026123530263
                   +0 :              -0.00014741025240
                   +1 :              -0.00022419619682
                3d
                   -2 :               0.00002207428380
                   -1 :              -0.00001458081771
                   +0 :              -0.00001635642114
                   +1 :               0.00001710663364
                   +2 :               0.00000984043353
              9 vec=   -13.385770      1.739106     -4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00008176364175
                2s
                   +0 :              -0.00071841551891
                3s
                   +0 :               0.00021416037839
                2p
                   -1 :              -0.00031900764806
                   +0 :               0.00029667614349
                   +1 :               0.00035543535414
                3p
                   -1 :               0.00016112814799
                   +0 :              -0.00002460045945
                   +1 :              -0.00016770135444
                3d
                   -2 :              -0.00001984017706
                   -1 :              -0.00000976311465
                   +0 :              -0.00001848543476
                   +1 :               0.00001184402211
                   +2 :               0.00002770367043
             10 vec=   -13.385770     -7.244652     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000128552180
                2s
                   +0 :              -0.00002301099101
                3s
                   +0 :              -0.00001619984171
                2p
                   -1 :               0.00009423098788
                   +0 :               0.00013869125613
                   +1 :              -0.00003403704372
                3p
                   -1 :              -0.00005135035180
                   +0 :              -0.00005230186881
                   +1 :               0.00004341797322
                3d
                   -2 :              -0.00000566878751
                   -1 :               0.00000838367154
                   +0 :              -0.00000137629212
                   +1 :               0.00000203469192
                   +2 :              -0.00000726536422
             11 vec=     9.954718    -11.736531     -4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00005543442636
                2s
                   +0 :               0.00035959738379
                3s
                   +0 :              -0.00015097113554
                2p
                   -1 :              -0.00008950529899
                   +0 :              -0.00010749706975
                   +1 :               0.00011163962625
                3p
                   -1 :               0.00000103190309
                   +0 :               0.00008356324290
                   +1 :              -0.00005357625750
                3d
                   -2 :              -0.00000795582117
                   -1 :              -0.00000877330764
                   +0 :              -0.00001678306346
                   +1 :               0.00001183643977
                   +2 :              -0.00000017367865
             12 vec=    -5.605607     15.214743     -4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00002427845981
                2s
                   +0 :              -0.00018472971787
                3s
                   +0 :               0.00006406974526
                2p
                   -1 :              -0.00021147008089
                   +0 :               0.00000550208166
                   +1 :               0.00001898167056
                3p
                   -1 :               0.00014036046849
                   +0 :              -0.00003089455771
                   +1 :              -0.00003628336530
                3d
                   -2 :              -0.00000527738061
                   -1 :              -0.00000145207076
                   +0 :              -0.00000407011236
                   +1 :               0.00000413620053
                   +2 :              -0.00000596092569
             13 vec=     2.174555    -16.228410     -4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00000132864406
                2s
                   +0 :              -0.00000171908909
                3s
                   +0 :               0.00002409568668
                2p
                   -1 :               0.00006532468252
                   +0 :              -0.00001218773067
                   +1 :              -0.00002754185816
                3p
                   -1 :              -0.00007778349379
                   +0 :               0.00002560400294
                   +1 :               0.00004538986881
                3d
                   -2 :              -0.00000084843066
                   -1 :              -0.00000485922552
                   +0 :              -0.00000008751741
                   +1 :              -0.00000089415624
                   +2 :               0.00000241880308
             14 vec=   -13.385770     10.722864     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000359666393
                2s
                   +0 :              -0.00003469584739
                3s
                   +0 :               0.00000075044238
                2p
                   -1 :              -0.00000146855131
                   +0 :               0.00002446117579
                   +1 :               0.00009633350345
                3p
                   -1 :              -0.00002293326167
                   +0 :               0.00002036597088
                   +1 :              -0.00003585758969
                3d
                   -2 :              -0.00000580907204
                   -1 :              -0.00000298884349
                   +0 :               0.00000010960245
                   +1 :              -0.00000098080441
                   +2 :               0.00000091031684
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 14)  npairs=  14
              1 vec=    -2.593128      1.739106     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00180504574691
                2s
                   +0 :              -0.03672560245261
                3s
                   +0 :               0.00389946977187
                2p
                   -1 :              -0.00982542060950
                   +0 :               0.02257992082440
                   +1 :               0.01468540867406
                3p
                   -1 :               0.00030544630513
                   +0 :              -0.00032641466920
                   +1 :              -0.00716918668615
                3d
                   -2 :               0.00064855643234
                   -1 :               0.00166867151676
                   +0 :              -0.00124445419125
                   +1 :              -0.00067836179279
                   +2 :               0.00055368231929
              2 vec=     5.187034     -2.752773     -4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00114081282219
                2s
                   +0 :               0.00654620818116
                3s
                   +0 :              -0.00382914985469
                2p
                   -1 :              -0.00223543694362
                   +0 :              -0.00031353544927
                   +1 :               0.00769044431928
                3p
                   -1 :               0.00174123038328
                   +0 :              -0.00035235014633
                   +1 :              -0.00638188940573
                3d
                   -2 :               0.00039848488657
                   -1 :              -0.00012638722574
                   +0 :               0.00028462846004
                   +1 :               0.00022676010141
                   +2 :              -0.00020574981142
              3 vec=    -2.593128     -7.244652     -4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00023203624880
                2s
                   +0 :               0.00179474072965
                3s
                   +0 :              -0.00068599115412
                2p
                   -1 :              -0.00127528728824
                   +0 :               0.00210017587266
                   +1 :               0.00000301452540
                3p
                   -1 :               0.00074147496507
                   +0 :              -0.00055230436987
                   +1 :              -0.00062270317662
                3d
                   -2 :               0.00008688722349
                   -1 :              -0.00010964406970
                   +0 :               0.00001934988413
                   +1 :               0.00008215435651
                   +2 :               0.00002065710958
              4 vec=     5.187034      6.230985     -4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00016679018740
                2s
                   +0 :               0.00085517397393
                3s
                   +0 :              -0.00036095121606
                2p
                   -1 :               0.00194275730594
                   +0 :              -0.00101253309580
                   +1 :               0.00163988654123
                3p
                   -1 :              -0.00150123803257
                   +0 :               0.00100458480395
                   +1 :              -0.00110675199729
                3d
                   -2 :              -0.00006529491701
                   -1 :               0.00007984624989
                   +0 :               0.00002492279499
                   +1 :              -0.00000117827975
                   +2 :               0.00003487951177
              5 vec=   -10.373291     -2.752773     -4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00009919303476
                2s
                   +0 :              -0.00112387302762
                3s
                   +0 :               0.00038896036766
                2p
                   -1 :               0.00066306218598
                   +0 :               0.00001680660412
                   +1 :               0.00102670876305
                3p
                   -1 :              -0.00050772505969
                   +0 :               0.00010345103680
                   +1 :              -0.00055816398034
                3d
                   -2 :               0.00006449482025
                   -1 :               0.00004927348838
                   +0 :               0.00000449551939
                   +1 :              -0.00007616285391
                   +2 :              -0.00002452841649
              6 vec=    -2.593128     10.722864     -4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00000452535746
                2s
                   +0 :               0.00001065811306
                3s
                   +0 :              -0.00008952171293
                2p
                   -1 :              -0.00001738895474
                   +0 :              -0.00032374161751
                   +1 :              -0.00030626253488
                3p
                   -1 :              -0.00023823635148
                   +0 :               0.00033847699189
                   +1 :               0.00012283101474
                3d
                   -2 :               0.00004060253286
                   -1 :               0.00002620335191
                   +0 :               0.00005522335825
                   +1 :               0.00001107857779
                   +2 :               0.00003678546269
              7 vec=   -10.373291      6.230985     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00001012819573
                2s
                   +0 :              -0.00053730859061
                3s
                   +0 :              -0.00000855440026
                2p
                   -1 :               0.00016791042908
                   +0 :               0.00024407552463
                   +1 :               0.00014646720021
                3p
                   -1 :              -0.00008873452095
                   +0 :              -0.00015241535990
                   +1 :               0.00000799691207
                3d
                   -2 :               0.00002065849212
                   -1 :              -0.00001485078410
                   +0 :              -0.00002487309523
                   +1 :              -0.00000825913108
                   +2 :               0.00000701165646
              8 vec=     5.187034    -11.736531     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00003765669092
                2s
                   +0 :              -0.00001699928234
                3s
                   +0 :               0.00016144573151
                2p
                   -1 :              -0.00009466393834
                   +0 :              -0.00027923198826
                   +1 :              -0.00052157957807
                3p
                   -1 :               0.00009370594295
                   +0 :               0.00004888606045
                   +1 :               0.00038315646670
                3d
                   -2 :              -0.00001743511474
                   -1 :               0.00001513136325
                   +0 :              -0.00000387577675
                   +1 :               0.00001189417405
                   +2 :               0.00001788944667
              9 vec=    12.967197      1.739106     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00001179953045
                2s
                   +0 :               0.00042344223215
                3s
                   +0 :               0.00004979827419
                2p
                   -1 :              -0.00000707578502
                   +0 :              -0.00049172884661
                   +1 :              -0.00016452288204
                3p
                   -1 :               0.00016817060617
                   +0 :              -0.00001977284387
                   +1 :               0.00032718172330
                3d
                   -2 :              -0.00000129814300
                   -1 :              -0.00003189628920
                   +0 :               0.00001723717174
                   +1 :               0.00001462176435
                   +2 :              -0.00001284878573
             10 vec=    12.967197     -7.244652     -4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00002614690449
                2s
                   +0 :               0.00018239526548
                3s
                   +0 :              -0.00002895159714
                2p
                   -1 :              -0.00002286639200
                   +0 :              -0.00005091026349
                   +1 :               0.00022174013216
                3p
                   -1 :              -0.00005333383825
                   +0 :               0.00001251772931
                   +1 :              -0.00011830293631
                3d
                   -2 :              -0.00000681291865
                   -1 :              -0.00000402780553
                   +0 :               0.00000586194906
                   +1 :              -0.00000031117598
                   +2 :              -0.00000786168023
             11 vec=   -10.373291    -11.736531     -4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000126292640
                2s
                   +0 :              -0.00008140420456
                3s
                   +0 :               0.00001969691158
                2p
                   -1 :               0.00008520047036
                   +0 :               0.00000482190426
                   +1 :               0.00002928862648
                3p
                   -1 :              -0.00001320525292
                   +0 :              -0.00001012287306
                   +1 :               0.00002415281564
                3d
                   -2 :              -0.00000006405022
                   -1 :               0.00000368236959
                   +0 :               0.00001419842130
                   +1 :               0.00000334206062
                   +2 :              -0.00000033086008
             12 vec=     5.187034     15.214743     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00001838124345
                2s
                   +0 :               0.00013552846034
                3s
                   +0 :              -0.00004265183765
                2p
                   -1 :               0.00010325819571
                   +0 :               0.00006440592985
                   +1 :              -0.00000617852346
                3p
                   -1 :              -0.00004219658310
                   +0 :              -0.00007211633483
                   +1 :              -0.00000420074292
                3d
                   -2 :              -0.00000513745092
                   -1 :              -0.00000370747824
                   +0 :               0.00000285051550
                   +1 :               0.00000076169359
                   +2 :               0.00000131493460
             13 vec=    -2.593128    -16.228410     -4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00000747833380
                2s
                   +0 :              -0.00004787910978
                3s
                   +0 :               0.00002579215719
                2p
                   -1 :               0.00005596378592
                   +0 :               0.00002819387203
                   +1 :              -0.00000314420886
                3p
                   -1 :              -0.00003938099186
                   +0 :              -0.00003234395786
                   +1 :               0.00000031673594
                3d
                   -2 :              -0.00000694495352
                   -1 :              -0.00000009022474
                   +0 :              -0.00000279758773
                   +1 :               0.00000320746443
                   +2 :               0.00000219923061
             14 vec=    12.967197     10.722864     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000884941160
                2s
                   +0 :               0.00006792188626
                3s
                   +0 :              -0.00000794059761
                2p
                   -1 :               0.00006060429855
                   +0 :              -0.00003860163708
                   +1 :              -0.00002982819611
                3p
                   -1 :               0.00000366691597
                   +0 :              -0.00001937463714
                   +1 :               0.00008459507405
                3d
                   -2 :               0.00000347362002
                   -1 :               0.00000113052799
                   +0 :               0.00000056527576
                   +1 :               0.00000297726842
                   +2 :               0.00000102542753
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 15)  npairs=  14
              1 vec=    -0.209286     -3.115717     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00214607494401
                2s
                   +0 :              -0.01309128935032
                3s
                   +0 :               0.00496989102292
                2p
                   -1 :               0.00742466676370
                   +0 :               0.00201527379959
                   +1 :              -0.00378709879957
                3p
                   -1 :              -0.00568300683246
                   +0 :               0.00109619170803
                   +1 :              -0.00355486347541
                3d
                   -2 :               0.00097125370706
                   -1 :               0.00010695209659
                   +0 :              -0.00088940474294
                   +1 :               0.00142725014078
                   +2 :              -0.00012514444097
              2 vec=    -0.209286      5.868041     -4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00002885870671
                2s
                   +0 :              -0.00091369311453
                3s
                   +0 :              -0.00010163200873
                2p
                   -1 :              -0.00307063360341
                   +0 :               0.00153145716902
                   +1 :               0.00306398876012
                3p
                   -1 :               0.00214212543773
                   +0 :              -0.00090443285778
                   +1 :              -0.00310892527082
                3d
                   -2 :              -0.00010655674206
                   -1 :              -0.00007218374720
                   +0 :              -0.00005598983942
                   +1 :               0.00016815347499
                   +2 :              -0.00028892781892
              3 vec=     7.570876      1.376162     -4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00017386629544
                2s
                   +0 :               0.00076104494574
                3s
                   +0 :              -0.00035965812961
                2p
                   -1 :               0.00130689070964
                   +0 :              -0.00429609301646
                   +1 :               0.00099343368345
                3p
                   -1 :              -0.00006770104684
                   +0 :               0.00085545445236
                   +1 :              -0.00066035528368
                3d
                   -2 :              -0.00004473766901
                   -1 :              -0.00015362637580
                   +0 :               0.00021382116871
                   +1 :               0.00009713648400
                   +2 :              -0.00010471780795
              4 vec=    -7.989449      1.376162     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00016562423560
                2s
                   +0 :              -0.00051202106114
                3s
                   +0 :              -0.00001434597640
                2p
                   -1 :              -0.00152925643080
                   +0 :               0.00289128453654
                   +1 :              -0.00082892247984
                3p
                   -1 :               0.00101103120875
                   +0 :              -0.00045176354650
                   +1 :               0.00092642521754
                3d
                   -2 :               0.00008085730688
                   -1 :               0.00008229891167
                   +0 :              -0.00002439968462
                   +1 :              -0.00013808739313
                   +2 :              -0.00009845165651
              5 vec=     7.570876     -7.607596     -4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00022963448878
                2s
                   +0 :              -0.00115797950503
                3s
                   +0 :               0.00071329123155
                2p
                   -1 :               0.00065046724409
                   +0 :              -0.00081709648351
                   +1 :              -0.00050221791042
                3p
                   -1 :              -0.00073727895480
                   +0 :               0.00036022433127
                   +1 :               0.00047613438096
                3d
                   -2 :              -0.00002583968984
                   -1 :              -0.00003253228597
                   +0 :               0.00004543509409
                   +1 :               0.00004449190345
                   +2 :              -0.00002697317162
              6 vec=    -7.989449     -7.607596     -4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00002828978293
                2s
                   +0 :               0.00019897252150
                3s
                   +0 :              -0.00021079590379
                2p
                   -1 :               0.00040702349595
                   +0 :               0.00050595689751
                   +1 :               0.00020339572979
                3p
                   -1 :              -0.00017884699031
                   +0 :              -0.00036729214849
                   +1 :              -0.00015454567745
                3d
                   -2 :              -0.00005691243917
                   -1 :               0.00001166428597
                   +0 :               0.00007308447436
                   +1 :               0.00000318074128
                   +2 :               0.00002320358678
              7 vec=    -0.209286    -12.099475     -4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00005080420300
                2s
                   +0 :              -0.00025578435489
                3s
                   +0 :               0.00022365824169
                2p
                   -1 :               0.00015550275142
                   +0 :              -0.00027463986697
                   +1 :               0.00011132572629
                3p
                   -1 :              -0.00018615545793
                   +0 :               0.00015381510718
                   +1 :              -0.00006057656947
                3d
                   -2 :              -0.00000362770395
                   -1 :               0.00000934789444
                   +0 :              -0.00000554084829
                   +1 :              -0.00002442124875
                   +2 :               0.00000499325186
              8 vec=     7.570876     10.359920     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00002571630824
                2s
                   +0 :               0.00010010853618
                3s
                   +0 :               0.00010544981905
                2p
                   -1 :              -0.00006590459908
                   +0 :              -0.00004534179915
                   +1 :               0.00014866725822
                3p
                   -1 :               0.00011465738961
                   +0 :              -0.00010619047037
                   +1 :              -0.00005306155868
                3d
                   -2 :              -0.00000236329754
                   -1 :              -0.00000127342868
                   +0 :               0.00002941012088
                   +1 :              -0.00001018813595
                   +2 :              -0.00000731209404
              9 vec=    -7.989449     10.359920     -4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00002641901125
                2s
                   +0 :              -0.00047576411484
                3s
                   +0 :               0.00004162289315
                2p
                   -1 :              -0.00040721335061
                   +0 :               0.00014748618734
                   +1 :               0.00013844468364
                3p
                   -1 :               0.00026225518789
                   +0 :              -0.00004453937492
                   +1 :              -0.00003862873018
                3d
                   -2 :               0.00000077087339
                   -1 :              -0.00001115119308
                   +0 :              -0.00000914432616
                   +1 :               0.00001146922526
                   +2 :              -0.00002823045422
             10 vec=    -0.209286     14.851799     -4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00001916222427
                2s
                   +0 :               0.00011420411182
                3s
                   +0 :              -0.00006064577865
                2p
                   -1 :               0.00011403604581
                   +0 :              -0.00005357555118
                   +1 :              -0.00002058643731
                3p
                   -1 :              -0.00009038778371
                   +0 :               0.00005252153206
                   +1 :              -0.00002301934924
                3d
                   -2 :              -0.00000149176388
                   -1 :               0.00001015940637
                   +0 :               0.00000084452805
                   +1 :               0.00000589589969
                   +2 :               0.00000472223785
             11 vec=    15.351039     -3.115717     -4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00001362820481
                2s
                   +0 :               0.00012234937928
                3s
                   +0 :               0.00001360702046
                2p
                   -1 :              -0.00010518637577
                   +0 :               0.00005703984524
                   +1 :               0.00011021191927
                3p
                   -1 :               0.00002914013890
                   +0 :              -0.00011391163676
                   +1 :               0.00004541590171
                3d
                   -2 :               0.00000101713244
                   -1 :               0.00000850271447
                   +0 :              -0.00001068124521
                   +1 :              -0.00001158954218
                   +2 :               0.00001839545294
             12 vec=   -15.769612     -3.115717     -4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00001158047540
                2s
                   +0 :              -0.00013614308304
                3s
                   +0 :               0.00004397636134
                2p
                   -1 :               0.00006007312088
                   +0 :              -0.00004474295650
                   +1 :               0.00004453086363
                3p
                   -1 :              -0.00003233048556
                   +0 :               0.00005487546389
                   +1 :               0.00004228576622
                3d
                   -2 :               0.00001185683287
                   -1 :               0.00000329092860
                   +0 :              -0.00000064548428
                   +1 :               0.00001016341888
                   +2 :              -0.00001282970656
             13 vec=    15.351039      5.868041     -4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00002167451383
                2s
                   +0 :               0.00015463131479
                3s
                   +0 :              -0.00003864444432
                2p
                   -1 :               0.00002321114569
                   +0 :               0.00007132844264
                   +1 :               0.00004936162946
                3p
                   -1 :               0.00000658999086
                   +0 :              -0.00003368178938
                   +1 :               0.00000639708177
                3d
                   -2 :              -0.00000407701553
                   -1 :               0.00000674584343
                   +0 :               0.00000110882926
                   +1 :               0.00000235543559
                   +2 :               0.00000720331425
             14 vec=   -15.769612      5.868041     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00001670786206
                2s
                   +0 :              -0.00014751013853
                3s
                   +0 :               0.00004211720250
                2p
                   -1 :              -0.00013028136975
                   +0 :               0.00003505252064
                   +1 :               0.00007245574416
                3p
                   -1 :               0.00008690139815
                   +0 :              -0.00005907164187
                   +1 :              -0.00001606923300
                3d
                   -2 :               0.00000195828752
                   -1 :              -0.00000697709732
                   +0 :               0.00000221634270
                   +1 :               0.00000051325054
                   +2 :               0.00000030554238
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 16)  npairs=  15
              1 vec=    -2.593128      4.491729      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00035474808906
                2s
                   +0 :              -0.00275439945682
                3s
                   +0 :               0.00052974409851
                2p
                   -1 :              -0.00235673895907
                   +0 :              -0.00250871675635
                   +1 :               0.00071964662309
                3p
                   -1 :               0.00023054439958
                   +0 :               0.00001283698795
                   +1 :              -0.00104368833829
                3d
                   -2 :              -0.00008759621499
                   -1 :              -0.00019064291699
                   +0 :              -0.00005237070118
                   +1 :              -0.00015073420977
                   +2 :               0.00013742438411
              2 vec=    -2.593128     -4.492029      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00013106292787
                2s
                   +0 :               0.00117946677192
                3s
                   +0 :              -0.00024540287816
                2p
                   -1 :               0.00017612753590
                   +0 :              -0.00005044825212
                   +1 :               0.00086267767475
                3p
                   -1 :              -0.00034298387504
                   +0 :               0.00048490609929
                   +1 :              -0.00065264168572
                3d
                   -2 :               0.00002878510372
                   -1 :              -0.00014468691177
                   +0 :               0.00007221591230
                   +1 :               0.00003398830916
                   +2 :               0.00005511539023
              3 vec=     5.187034     -0.000150      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00015056760724
                2s
                   +0 :               0.00184755375635
                3s
                   +0 :              -0.00019247856452
                2p
                   -1 :              -0.00106611449494
                   +0 :               0.00146031818186
                   +1 :              -0.00000006922406
                3p
                   -1 :              -0.00038909505710
                   +0 :              -0.00014151759209
                   +1 :               0.00054434462799
                3d
                   -2 :              -0.00006037667019
                   -1 :              -0.00009219373566
                   +0 :              -0.00003002454968
                   +1 :               0.00015334420289
                   +2 :              -0.00008031330404
              4 vec=   -10.373291     -0.000150      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001965977169
                2s
                   +0 :              -0.00042555668996
                3s
                   +0 :              -0.00006628229572
                2p
                   -1 :               0.00040232400716
                   +0 :              -0.00050448667506
                   +1 :               0.00051384841449
                3p
                   -1 :              -0.00023164446595
                   +0 :               0.00037701840805
                   +1 :              -0.00025206793100
                3d
                   -2 :               0.00002744315302
                   -1 :               0.00000360676589
                   +0 :               0.00006525367597
                   +1 :              -0.00002542431256
                   +2 :               0.00000321654682
              5 vec=     5.187034      8.983608      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000804055461
                2s
                   +0 :               0.00008779378718
                3s
                   +0 :               0.00005829634143
                2p
                   -1 :              -0.00005825992928
                   +0 :              -0.00019487609529
                   +1 :              -0.00013895550623
                3p
                   -1 :               0.00007153796290
                   +0 :               0.00013178447973
                   +1 :               0.00011911491471
                3d
                   -2 :              -0.00000335787947
                   -1 :               0.00001754178298
                   +0 :               0.00001671275561
                   +1 :              -0.00001398208994
                   +2 :              -0.00002257998850
              6 vec=     5.187034     -8.983908      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00004398635670
                2s
                   +0 :              -0.00002998116389
                3s
                   +0 :               0.00003444615973
                2p
                   -1 :               0.00031093623384
                   +0 :               0.00009872900760
                   +1 :               0.00059776496299
                3p
                   -1 :              -0.00022120055886
                   +0 :               0.00012552341425
                   +1 :              -0.00054385555040
                3d
                   -2 :               0.00005420273948
                   -1 :               0.00002211848704
                   +0 :               0.00002064104105
                   +1 :              -0.00000090692261
                   +2 :               0.00003094084738
              7 vec=   -10.373291      8.983608      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001135614256
                2s
                   +0 :               0.00004418173838
                3s
                   +0 :              -0.00005755047125
                2p
                   -1 :              -0.00004037008522
                   +0 :              -0.00006414426298
                   +1 :               0.00001049082193
                3p
                   -1 :               0.00001743608411
                   +0 :               0.00004161419976
                   +1 :               0.00003227880191
                3d
                   -2 :               0.00000608340807
                   -1 :               0.00000145659926
                   +0 :               0.00000509725243
                   +1 :              -0.00000529127769
                   +2 :              -0.00000441250391
              8 vec=    -2.593128     13.475487      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000672998380
                2s
                   +0 :              -0.00003634638722
                3s
                   +0 :               0.00002784282289
                2p
                   -1 :              -0.00005458147696
                   +0 :               0.00001457737541
                   +1 :              -0.00000337288317
                3p
                   -1 :               0.00006248068362
                   +0 :              -0.00002836357634
                   +1 :              -0.00002247071855
                3d
                   -2 :              -0.00000405800173
                   -1 :              -0.00000353233950
                   +0 :              -0.00000514915446
                   +1 :               0.00000698844930
                   +2 :               0.00000163107804
              9 vec=   -10.373291     -8.983908      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00002941176767
                2s
                   +0 :              -0.00021363295133
                3s
                   +0 :               0.00008608668815
                2p
                   -1 :               0.00007187693689
                   +0 :              -0.00011451592729
                   +1 :               0.00015046941626
                3p
                   -1 :              -0.00000178033124
                   +0 :               0.00007774988754
                   +1 :              -0.00010284648052
                3d
                   -2 :               0.00000933135086
                   -1 :               0.00000376750381
                   +0 :              -0.00000820989703
                   +1 :              -0.00001506926405
                   +2 :              -0.00002141588978
             10 vec=    -2.593128    -13.475787      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00000913132730
                2s
                   +0 :              -0.00007491516362
                3s
                   +0 :               0.00004084067614
                2p
                   -1 :              -0.00003044772057
                   +0 :              -0.00010301008701
                   +1 :              -0.00010398651579
                3p
                   -1 :               0.00003554506995
                   +0 :               0.00006223625213
                   +1 :               0.00004839004986
                3d
                   -2 :              -0.00001093907910
                   -1 :              -0.00001046489536
                   +0 :               0.00000789748917
                   +1 :               0.00000451440010
                   +2 :               0.00000072132439
             11 vec=    12.967197      4.491729      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000474091723
                2s
                   +0 :               0.00004145188067
                3s
                   +0 :               0.00002536104954
                2p
                   -1 :               0.00002948508273
                   +0 :               0.00024538550182
                   +1 :              -0.00000190377869
                3p
                   -1 :               0.00001863739143
                   +0 :              -0.00011526030808
                   +1 :               0.00004077361884
                3d
                   -2 :              -0.00000217922684
                   -1 :               0.00000905149969
                   +0 :               0.00000496909532
                   +1 :              -0.00000215854181
                   +2 :              -0.00000110118158
             12 vec=    12.967197     -4.492029      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00000625101379
                2s
                   +0 :              -0.00002319231444
                3s
                   +0 :               0.00004150518735
                2p
                   -1 :              -0.00011745538280
                   +0 :               0.00033077324218
                   +1 :              -0.00019430247640
                3p
                   -1 :               0.00006904063658
                   +0 :              -0.00022303233639
                   +1 :               0.00021566632511
                3d
                   -2 :               0.00000282362735
                   -1 :               0.00001922884001
                   +0 :              -0.00002634853772
                   +1 :               0.00000714700676
                   +2 :               0.00002338782527
             13 vec=    -2.593128      4.491729    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00002050344531
                2s
                   +0 :              -0.00014706301034
                3s
                   +0 :               0.00005279677679
                2p
                   -1 :              -0.00010781611558
                   +0 :               0.00009235614977
                   +1 :              -0.00014895191060
                3p
                   -1 :               0.00009026712744
                   +0 :              -0.00006517747063
                   +1 :               0.00006329981454
                3d
                   -2 :               0.00000116442169
                   -1 :              -0.00000432065746
                   +0 :               0.00000163141673
                   +1 :              -0.00000164965266
                   +2 :              -0.00000309511230
             14 vec=    -2.593128     -4.492029    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001364272533
                2s
                   +0 :              -0.00010390973870
                3s
                   +0 :               0.00002944185994
                2p
                   -1 :               0.00003899130875
                   +0 :               0.00005507512496
                   +1 :              -0.00007027376046
                3p
                   -1 :              -0.00001500125351
                   +0 :              -0.00000956963397
                   +1 :               0.00002909937405
                3d
                   -2 :               0.00000027749705
                   -1 :              -0.00000161109291
                   +0 :              -0.00000234825481
                   +1 :               0.00000021970286
                   +2 :               0.00000611252168
             15 vec=     5.187034     -0.000150    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000975505017
                2s
                   +0 :               0.00008061722934
                3s
                   +0 :              -0.00002140718645
                2p
                   -1 :               0.00000071314717
                   +0 :              -0.00008813851519
                   +1 :               0.00001684383902
                3p
                   -1 :               0.00000231260222
                   +0 :               0.00005109002211
                   +1 :              -0.00002123119561
                3d
                   -2 :               0.00000123497841
                   -1 :               0.00000041483192
                   +0 :              -0.00000290766753
                   +1 :              -0.00000029566499
                   +2 :               0.00000242990358
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 17)  npairs=  15
              1 vec=     2.174555      4.491729      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00047190427113
                2s
                   +0 :               0.00398966523202
                3s
                   +0 :              -0.00103953527283
                2p
                   -1 :               0.00180366501617
                   +0 :               0.00382585526649
                   +1 :              -0.00151564599598
                3p
                   -1 :               0.00016575523027
                   +0 :              -0.00106378550037
                   +1 :               0.00045606731891
                3d
                   -2 :              -0.00007027081432
                   -1 :               0.00013370104859
                   +0 :              -0.00002431319761
                   +1 :              -0.00003219573510
                   +2 :              -0.00010879067516
              2 vec=     2.174555     -4.492029      8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00000094008500
                2s
                   +0 :              -0.00041191847163
                3s
                   +0 :              -0.00009868818084
                2p
                   -1 :               0.00057504753265
                   +0 :              -0.00012687891238
                   +1 :              -0.00398010731844
                3p
                   -1 :               0.00026520594514
                   +0 :              -0.00100986337096
                   +1 :               0.00273509663356
                3d
                   -2 :               0.00006052128071
                   -1 :               0.00009631820382
                   +0 :              -0.00001965040841
                   +1 :               0.00019194729791
                   +2 :              -0.00000199157737
              3 vec=    -5.605607     -0.000150      8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00028217587439
                2s
                   +0 :              -0.00217311206939
                3s
                   +0 :               0.00040146519575
                2p
                   -1 :               0.00224182196261
                   +0 :              -0.00061729398617
                   +1 :               0.00231497158478
                3p
                   -1 :              -0.00117281723452
                   +0 :              -0.00091291038792
                   +1 :              -0.00106882421259
                3d
                   -2 :              -0.00011661561092
                   -1 :               0.00009003328600
                   +0 :              -0.00000568417075
                   +1 :              -0.00004962927255
                   +2 :               0.00005683472422
              4 vec=     9.954718     -0.000150      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00013544178116
                2s
                   +0 :               0.00119017436938
                3s
                   +0 :              -0.00044975072876
                2p
                   -1 :              -0.00008390044501
                   +0 :               0.00028181566461
                   +1 :               0.00059875083453
                3p
                   -1 :               0.00002051934564
                   +0 :              -0.00014317092351
                   +1 :              -0.00042884620045
                3d
                   -2 :               0.00000941554296
                   -1 :               0.00000013263104
                   +0 :               0.00001467924588
                   +1 :              -0.00004607579397
                   +2 :              -0.00003301997773
              5 vec=    -5.605607      8.983608      8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00003544753627
                2s
                   +0 :              -0.00051932624601
                3s
                   +0 :               0.00005515627366
                2p
                   -1 :              -0.00010952772050
                   +0 :              -0.00022856400624
                   +1 :               0.00029373466775
                3p
                   -1 :              -0.00012090392281
                   +0 :               0.00014773041677
                   +1 :              -0.00019486717062
                3d
                   -2 :               0.00001832925311
                   -1 :              -0.00000519262391
                   +0 :               0.00001063009192
                   +1 :              -0.00000864949229
                   +2 :               0.00001659585017
              6 vec=    -5.605607     -8.983908      8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00004170460849
                2s
                   +0 :              -0.00035136132426
                3s
                   +0 :               0.00007780000464
                2p
                   -1 :              -0.00004944658431
                   +0 :               0.00002825771806
                   +1 :               0.00019280496953
                3p
                   -1 :               0.00014854540294
                   +0 :              -0.00013792155669
                   +1 :              -0.00009859502022
                3d
                   -2 :              -0.00000035088354
                   -1 :               0.00003592912280
                   +0 :               0.00003411411631
                   +1 :              -0.00004344084721
                   +2 :              -0.00001011903625
              7 vec=     9.954718      8.983608      8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00002980863105
                2s
                   +0 :               0.00024844840969
                3s
                   +0 :              -0.00008681954364
                2p
                   -1 :               0.00015621431518
                   +0 :               0.00018933067800
                   +1 :               0.00020834912542
                3p
                   -1 :              -0.00005768972811
                   +0 :              -0.00014661333841
                   +1 :              -0.00012755123137
                3d
                   -2 :               0.00000192710068
                   -1 :              -0.00000563200554
                   +0 :              -0.00001097684372
                   +1 :              -0.00000710114650
                   +2 :              -0.00000939054242
              8 vec=     9.954718     -8.983908      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00000724254756
                2s
                   +0 :              -0.00001436092697
                3s
                   +0 :               0.00005748181489
                2p
                   -1 :              -0.00006431024373
                   +0 :              -0.00004456155426
                   +1 :              -0.00017391307656
                3p
                   -1 :               0.00000114624365
                   +0 :               0.00011144457211
                   +1 :               0.00019977271563
                3d
                   -2 :               0.00000340429232
                   -1 :              -0.00001403786045
                   +0 :               0.00000673980033
                   +1 :              -0.00000329216458
                   +2 :              -0.00001662856879
              9 vec=     2.174555     13.475487      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00001595021511
                2s
                   +0 :              -0.00012821103281
                3s
                   +0 :               0.00005411786394
                2p
                   -1 :              -0.00006100181078
                   +0 :              -0.00000695391802
                   +1 :              -0.00005368688026
                3p
                   -1 :               0.00003209722473
                   +0 :               0.00002070499994
                   +1 :               0.00004762965795
                3d
                   -2 :               0.00000701887770
                   -1 :              -0.00000034629434
                   +0 :              -0.00000058791649
                   +1 :              -0.00000361448727
                   +2 :               0.00000289029759
             10 vec=     2.174555    -13.475787      8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00003269702752
                2s
                   +0 :               0.00023114170524
                3s
                   +0 :              -0.00008728797808
                2p
                   -1 :              -0.00013617136932
                   +0 :               0.00002918917386
                   +1 :              -0.00005586248929
                3p
                   -1 :               0.00008062295292
                   +0 :               0.00005195036336
                   +1 :               0.00004586250146
                3d
                   -2 :              -0.00000795639995
                   -1 :              -0.00001060036910
                   +0 :              -0.00000337631370
                   +1 :              -0.00000117604322
                   +2 :               0.00000234664613
             11 vec=   -13.385770      4.491729      8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00002626196888
                2s
                   +0 :              -0.00020837076213
                3s
                   +0 :               0.00006410160924
                2p
                   -1 :              -0.00001051060010
                   +0 :              -0.00012027528947
                   +1 :               0.00028825515672
                3p
                   -1 :              -0.00003932107246
                   +0 :               0.00003948929305
                   +1 :              -0.00017554245028
                3d
                   -2 :              -0.00000232172481
                   -1 :              -0.00000459369036
                   +0 :              -0.00000714632338
                   +1 :              -0.00001197227611
                   +2 :               0.00000933504574
             12 vec=   -13.385770     -4.492029      8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00002289086180
                2s
                   +0 :               0.00008759443502
                3s
                   +0 :              -0.00009865119968
                2p
                   -1 :               0.00020805295351
                   +0 :               0.00009210326897
                   +1 :              -0.00001808252373
                3p
                   -1 :              -0.00014386186955
                   +0 :              -0.00012454761643
                   +1 :               0.00008101560809
                3d
                   -2 :               0.00000196712610
                   -1 :              -0.00000749905201
                   +0 :              -0.00000602858091
                   +1 :               0.00000878974741
                   +2 :               0.00000260544516
             13 vec=     2.174555      4.491729    -16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00002044597834
                2s
                   +0 :               0.00013734889845
                3s
                   +0 :              -0.00006218577876
                2p
                   -1 :              -0.00002744608687
                   +0 :              -0.00007581176926
                   +1 :              -0.00007769260377
                3p
                   -1 :               0.00000872622374
                   +0 :               0.00006255626763
                   +1 :               0.00001007868062
                3d
                   -2 :               0.00000298929404
                   -1 :               0.00000102718737
                   +0 :              -0.00001029668879
                   +1 :               0.00000602755124
                   +2 :              -0.00000003981026
             14 vec=     2.174555     -4.492029    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00001108373387
                2s
                   +0 :              -0.00005463368471
                3s
                   +0 :               0.00004273299482
                2p
                   -1 :               0.00003748032644
                   +0 :               0.00006818956384
                   +1 :              -0.00011494124030
                3p
                   -1 :              -0.00004247704806
                   +0 :              -0.00007579962902
                   +1 :               0.00007016131131
                3d
                   -2 :              -0.00000122949485
                   -1 :              -0.00000022631672
                   +0 :               0.00000210078189
                   +1 :              -0.00000393435093
                   +2 :               0.00000140098175
             15 vec=    -5.605607     -0.000150    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00000998749517
                2s
                   +0 :              -0.00008179343757
                3s
                   +0 :               0.00000874505314
                2p
                   -1 :               0.00005991457671
                   +0 :               0.00005799353115
                   +1 :               0.00003366130023
                3p
                   -1 :              -0.00005677893065
                   +0 :              -0.00001119946040
                   +1 :              -0.00003777346704
                3d
                   -2 :               0.00000529250123
                   -1 :               0.00000718956487
                   +0 :              -0.00000201684993
                   +1 :               0.00000062539410
                   +2 :               0.00000055587051
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 18)  npairs=  14
              1 vec=    -0.209286      0.362794      8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00034094591317
                2s
                   +0 :              -0.00207315040524
                3s
                   +0 :               0.00065465659735
                2p
                   -1 :              -0.00072255048419
                   +0 :              -0.00198337168566
                   +1 :              -0.00352223249377
                3p
                   -1 :               0.00049941637430
                   +0 :               0.00088131460728
                   +1 :               0.00185890675705
                3d
                   -2 :               0.00011171623457
                   -1 :              -0.00000500506541
                   +0 :              -0.00009763556085
                   +1 :               0.00009523090209
                   +2 :              -0.00004857932989
              2 vec=    -0.209286     -8.620964      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00006963947006
                2s
                   +0 :              -0.00050723039541
                3s
                   +0 :               0.00027960465711
                2p
                   -1 :               0.00036822006888
                   +0 :              -0.00008686411662
                   +1 :               0.00015476662281
                3p
                   -1 :              -0.00033376225508
                   +0 :               0.00010647664166
                   +1 :              -0.00044633151961
                3d
                   -2 :               0.00007180229047
                   -1 :              -0.00001516293068
                   +0 :              -0.00002042668120
                   +1 :              -0.00005394827102
                   +2 :              -0.00001331642631
              3 vec=     7.570876     -4.129085      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00011579413379
                2s
                   +0 :              -0.00057247819876
                3s
                   +0 :               0.00028789328696
                2p
                   -1 :              -0.00099605143521
                   +0 :              -0.00043601871619
                   +1 :               0.00120856641854
                3p
                   -1 :               0.00072678432090
                   +0 :               0.00025308895172
                   +1 :              -0.00116455812999
                3d
                   -2 :               0.00005717944277
                   -1 :              -0.00003092812609
                   +0 :               0.00002408057833
                   +1 :              -0.00009386135733
                   +2 :              -0.00008948397291
              4 vec=    -7.989449     -4.129085      8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00028033541640
                2s
                   +0 :               0.00144109621348
                3s
                   +0 :              -0.00101795130454
                2p
                   -1 :              -0.00160765264063
                   +0 :               0.00083593573081
                   +1 :              -0.00016022161942
                3p
                   -1 :               0.00159375417663
                   +0 :              -0.00075063396747
                   +1 :               0.00028947908045
                3d
                   -2 :              -0.00010806069100
                   -1 :               0.00017312003004
                   +0 :              -0.00006653142373
                   +1 :               0.00008842377016
                   +2 :               0.00004878815515
              5 vec=     7.570876      4.854673      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00012005722189
                2s
                   +0 :               0.00119461895788
                3s
                   +0 :              -0.00025760292040
                2p
                   -1 :               0.00086167778937
                   +0 :               0.00051023413035
                   +1 :               0.00069388764043
                3p
                   -1 :              -0.00033962249976
                   +0 :              -0.00006484358625
                   +1 :              -0.00042124998235
                3d
                   -2 :               0.00001143269145
                   -1 :              -0.00000299479363
                   +0 :               0.00002906504329
                   +1 :              -0.00002101433520
                   +2 :              -0.00000978581980
              6 vec=    -7.989449      4.854673      8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00003646715109
                2s
                   +0 :              -0.00065352349591
                3s
                   +0 :               0.00007007275658
                2p
                   -1 :              -0.00053954406360
                   +0 :              -0.00057804288974
                   +1 :               0.00011791043497
                3p
                   -1 :               0.00027566861757
                   +0 :               0.00016542249500
                   +1 :               0.00003792142991
                3d
                   -2 :              -0.00003006175358
                   -1 :               0.00000906869804
                   +0 :              -0.00004089398971
                   +1 :               0.00001241838766
                   +2 :              -0.00000538027638
              7 vec=    -0.209286      9.346552      8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00003455382613
                2s
                   +0 :              -0.00016366466685
                3s
                   +0 :               0.00011695996593
                2p
                   -1 :               0.00028664973871
                   +0 :              -0.00009067041541
                   +1 :              -0.00051385969974
                3p
                   -1 :              -0.00023587573601
                   +0 :               0.00009307092343
                   +1 :               0.00023309185061
                3d
                   -2 :              -0.00000643657516
                   -1 :               0.00000226396956
                   +0 :               0.00000549633448
                   +1 :               0.00001692595883
                   +2 :               0.00001114870481
              8 vec=    -0.209286      0.362794    -16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000242971875
                2s
                   +0 :               0.00000979133652
                3s
                   +0 :               0.00000463351289
                2p
                   -1 :              -0.00001003143385
                   +0 :              -0.00003719705709
                   +1 :              -0.00005769720965
                3p
                   -1 :               0.00000403862739
                   +0 :               0.00001951508630
                   +1 :               0.00001083584518
                3d
                   -2 :              -0.00000096185993
                   -1 :               0.00000135748863
                   +0 :              -0.00000196272589
                   +1 :               0.00000101166604
                   +2 :              -0.00000384308725
              9 vec=     7.570876    -13.112843      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00001894847381
                2s
                   +0 :              -0.00011634243312
                3s
                   +0 :               0.00009534523170
                2p
                   -1 :               0.00004393124585
                   +0 :               0.00004375383948
                   +1 :               0.00006058335742
                3p
                   -1 :              -0.00005477551778
                   +0 :              -0.00001197640223
                   +1 :              -0.00003858777209
                3d
                   -2 :               0.00000351076376
                   -1 :              -0.00000031470385
                   +0 :              -0.00000289697955
                   +1 :              -0.00000555440289
                   +2 :              -0.00000496990461
             10 vec=    -7.989449    -13.112843      8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00000721997591
                2s
                   +0 :              -0.00005211357770
                3s
                   +0 :               0.00001732098795
                2p
                   -1 :               0.00017201034087
                   +0 :               0.00003085851109
                   +1 :              -0.00011420024663
                3p
                   -1 :              -0.00012077721837
                   +0 :              -0.00003585848043
                   +1 :               0.00011110562375
                3d
                   -2 :              -0.00001399127695
                   -1 :               0.00000871749079
                   +0 :               0.00000359607791
                   +1 :               0.00001325168594
                   +2 :              -0.00001013304777
             11 vec=    15.351039      0.362794      8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000032649110
                2s
                   +0 :               0.00006736151239
                3s
                   +0 :               0.00001721482887
                2p
                   -1 :              -0.00006318543787
                   +0 :               0.00009557355683
                   +1 :               0.00000598846206
                3p
                   -1 :               0.00003303412604
                   +0 :              -0.00000129704483
                   +1 :               0.00008211390907
                3d
                   -2 :              -0.00000179630528
                   -1 :              -0.00000591187949
                   +0 :              -0.00000418067454
                   +1 :               0.00000216383068
                   +2 :               0.00001090628688
             12 vec=   -15.769612      0.362794      8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00000251201157
                2s
                   +0 :              -0.00001789096585
                3s
                   +0 :              -0.00002511657863
                2p
                   -1 :              -0.00010410326583
                   +0 :               0.00006576477475
                   +1 :              -0.00003168152158
                3p
                   -1 :               0.00009596570528
                   +0 :              -0.00008174631313
                   +1 :               0.00007470842647
                3d
                   -2 :              -0.00000828862432
                   -1 :               0.00000469536198
                   +0 :              -0.00000977404600
                   +1 :               0.00000695674825
                   +2 :              -0.00000773136752
             13 vec=     7.570876     13.838431      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001982313796
                2s
                   +0 :               0.00013790846883
                3s
                   +0 :              -0.00004457357940
                2p
                   -1 :               0.00005975609360
                   +0 :               0.00003321021258
                   +1 :               0.00000229160797
                3p
                   -1 :              -0.00000748824986
                   +0 :               0.00001484525150
                   +1 :              -0.00001722325801
                3d
                   -2 :              -0.00000152028954
                   -1 :               0.00000018013360
                   +0 :               0.00000441455000
                   +1 :              -0.00000195809253
                   +2 :               0.00000008498304
             14 vec=    -7.989449     13.838431      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00000943628422
                2s
                   +0 :              -0.00008524503237
                3s
                   +0 :               0.00002298941556
                2p
                   -1 :              -0.00008056107966
                   +0 :              -0.00004890622566
                   +1 :              -0.00000842833251
                3p
                   -1 :               0.00002268646400
                   +0 :               0.00002542210796
                   +1 :               0.00001201908852
                3d
                   -2 :              -0.00000037414605
                   -1 :               0.00000114638103
                   +0 :               0.00000063019424
                   +1 :               0.00000134260429
                   +2 :               0.00000059865225
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 19)  npairs=  14
              1 vec=    -0.418573     -2.752923      4.091257   |vec|=    4.948957
                1s
                   +0 :               0.00073139649791
                2s
                   +0 :              -0.01084285396082
                3s
                   +0 :               0.00203718854329
                2p
                   -1 :               0.00416035662796
                   +0 :              -0.00462867005862
                   +1 :              -0.00732268264239
                3p
                   -1 :              -0.00369697046524
                   +0 :              -0.00175055895042
                   +1 :              -0.00396236977456
                3d
                   -2 :               0.00126287749515
                   -1 :               0.00035928694349
                   +0 :              -0.00107437690001
                   +1 :              -0.00167273531055
                   +2 :               0.00016356074197
              2 vec=    -0.418573      6.230835      4.091257   |vec|=    7.465715
                1s
                   +0 :              -0.00023064258093
                2s
                   +0 :               0.00147940976147
                3s
                   +0 :              -0.00085392264388
                2p
                   -1 :               0.00013081391991
                   +0 :               0.00081385065528
                   +1 :              -0.00111707086043
                3p
                   -1 :              -0.00007983088667
                   +0 :              -0.00065671982754
                   +1 :               0.00055137000384
                3d
                   -2 :               0.00006716182022
                   -1 :               0.00003327062415
                   +0 :               0.00003537619234
                   +1 :              -0.00002475535633
                   +2 :               0.00002242312449
              3 vec=     7.361590      1.738956      4.091257   |vec|=    8.599730
                1s
                   +0 :              -0.00044609649883
                2s
                   +0 :               0.00193041612811
                3s
                   +0 :              -0.00074838693906
                2p
                   -1 :               0.00102809545055
                   +0 :              -0.00015208788585
                   +1 :               0.00218060122991
                3p
                   -1 :              -0.00046995420301
                   +0 :               0.00151401552957
                   +1 :              -0.00121003570709
                3d
                   -2 :              -0.00010883954983
                   -1 :               0.00006826349593
                   +0 :               0.00029014377482
                   +1 :              -0.00011450329737
                   +2 :              -0.00011998620283
              4 vec=    -8.198735      1.738956      4.091257   |vec|=    9.326393
                1s
                   +0 :               0.00071525668923
                2s
                   +0 :              -0.00425376251627
                3s
                   +0 :               0.00157754631366
                2p
                   -1 :              -0.00114483775817
                   +0 :              -0.00192979648718
                   +1 :               0.00125619170036
                3p
                   -1 :               0.00066495600322
                   +0 :               0.00018462770796
                   +1 :              -0.00032951399755
                3d
                   -2 :              -0.00012666053950
                   -1 :              -0.00011708672721
                   +0 :              -0.00017481028688
                   +1 :              -0.00010562411294
                   +2 :               0.00011228063331
              5 vec=     7.361590     -7.244802      4.091257   |vec|=   11.109390
                1s
                   +0 :               0.00003317463208
                2s
                   +0 :               0.00032789828877
                3s
                   +0 :              -0.00002207164651
                2p
                   -1 :              -0.00183847161602
                   +0 :               0.00065359323897
                   +1 :               0.00082188571711
                3p
                   -1 :               0.00139984506411
                   +0 :              -0.00027641406368
                   +1 :              -0.00063326344807
                3d
                   -2 :               0.00014627200764
                   -1 :              -0.00003367802653
                   +0 :               0.00020267281571
                   +1 :               0.00000602158023
                   +2 :               0.00001197836789
              6 vec=    -8.198735     -7.244802      4.091257   |vec|=   11.680959
                1s
                   +0 :              -0.00002442798800
                2s
                   +0 :              -0.00003212711622
                3s
                   +0 :              -0.00010501601809
                2p
                   -1 :               0.00027835924008
                   +0 :               0.00019267153036
                   +1 :              -0.00022496578525
                3p
                   -1 :              -0.00013514479444
                   +0 :              -0.00017712942487
                   +1 :               0.00036816092508
                3d
                   -2 :              -0.00013563357944
                   -1 :               0.00008299447291
                   +0 :               0.00007363636821
                   +1 :              -0.00002768826216
                   +2 :               0.00001041468102
              7 vec=    -0.418573    -11.736681      4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00002260797836
                2s
                   +0 :              -0.00008128791052
                3s
                   +0 :               0.00014575966064
                2p
                   -1 :               0.00046365169607
                   +0 :               0.00027328698078
                   +1 :              -0.00033570867575
                3p
                   -1 :              -0.00044472592481
                   +0 :               0.00000403018754
                   +1 :               0.00038216555937
                3d
                   -2 :              -0.00004277379459
                   -1 :              -0.00002289486088
                   +0 :              -0.00001818864420
                   +1 :              -0.00000448377015
                   +2 :              -0.00000419945096
              8 vec=     7.361590     10.722714      4.091257   |vec|=   13.634808
                1s
                   +0 :              -0.00002531550022
                2s
                   +0 :               0.00043065731854
                3s
                   +0 :               0.00003810008829
                2p
                   -1 :               0.00027690130561
                   +0 :              -0.00000403542300
                   +1 :               0.00003895598968
                3p
                   -1 :               0.00002622046384
                   +0 :               0.00021611785371
                   +1 :               0.00009313685177
                3d
                   -2 :               0.00002748038548
                   -1 :               0.00002129340774
                   +0 :              -0.00001106573238
                   +1 :               0.00000201401430
                   +2 :              -0.00002330041927
              9 vec=    -8.198735     10.722714      4.091257   |vec|=   14.104405
                1s
                   +0 :               0.00006597385368
                2s
                   +0 :              -0.00059181708633
                3s
                   +0 :               0.00013946435489
                2p
                   -1 :              -0.00005033693250
                   +0 :              -0.00006993772806
                   +1 :               0.00011826510778
                3p
                   -1 :              -0.00008508214949
                   +0 :              -0.00004321573544
                   +1 :               0.00001305178759
                3d
                   -2 :               0.00000214060948
                   -1 :              -0.00000613335833
                   +0 :              -0.00000379641504
                   +1 :              -0.00000234817277
                   +2 :               0.00001038232678
             10 vec=    -0.418573     15.214593      4.091257   |vec|=   15.760629
                1s
                   +0 :               0.00000701283683
                2s
                   +0 :              -0.00004828875045
                3s
                   +0 :               0.00002512640363
                2p
                   -1 :               0.00002067295108
                   +0 :              -0.00008471028500
                   +1 :              -0.00004775245769
                3p
                   -1 :              -0.00000773108652
                   +0 :               0.00006742742081
                   +1 :               0.00000375333125
                3d
                   -2 :              -0.00000351480587
                   -1 :              -0.00000137241064
                   +0 :               0.00000213480548
                   +1 :               0.00000294452932
                   +2 :               0.00000660826792
             11 vec=    15.141753     -2.752923      4.091257   |vec|=   15.924498
                1s
                   +0 :              -0.00009204361099
                2s
                   +0 :               0.00062698878104
                3s
                   +0 :              -0.00027972531113
                2p
                   -1 :              -0.00021757796819
                   +0 :               0.00011041943066
                   +1 :               0.00046707701013
                3p
                   -1 :               0.00018029443550
                   +0 :              -0.00006383874088
                   +1 :              -0.00024022001315
                3d
                   -2 :               0.00001579194801
                   -1 :               0.00000819362531
                   +0 :              -0.00001836984190
                   +1 :              -0.00000261518384
                   +2 :              -0.00000038696557
             12 vec=   -15.978898     -2.752923      4.091257   |vec|=   16.722504
                1s
                   +0 :               0.00001796916166
                2s
                   +0 :              -0.00013956329242
                3s
                   +0 :               0.00005360426357
                2p
                   -1 :              -0.00012557887614
                   +0 :              -0.00007916491563
                   +1 :               0.00044092386455
                3p
                   -1 :               0.00013322552837
                   +0 :               0.00004904682046
                   +1 :              -0.00036175852102
                3d
                   -2 :              -0.00000187779785
                   -1 :               0.00000904798165
                   +0 :              -0.00000940537882
                   +1 :              -0.00001082483232
                   +2 :               0.00002318076481
             13 vec=    15.141753      6.230835      4.091257   |vec|=   16.877036
                1s
                   +0 :              -0.00003219388789
                2s
                   +0 :               0.00022063259917
                3s
                   +0 :              -0.00009288697461
                2p
                   -1 :              -0.00007899452777
                   +0 :               0.00005609751850
                   +1 :               0.00016759907032
                3p
                   -1 :               0.00008110756505
                   +0 :              -0.00002118563011
                   +1 :              -0.00007526003492
                3d
                   -2 :               0.00000562259202
                   -1 :              -0.00000213532969
                   +0 :              -0.00000199738499
                   +1 :              -0.00000368582229
                   +2 :              -0.00001169254728
             14 vec=   -15.978898      6.230835      4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00000680860548
                2s
                   +0 :              -0.00003903506164
                3s
                   +0 :               0.00000357474316
                2p
                   -1 :               0.00002562587197
                   +0 :               0.00000744862380
                   +1 :              -0.00003013357029
                3p
                   -1 :              -0.00005334526860
                   +0 :              -0.00002010593111
                   +1 :               0.00005034946495
                3d
                   -2 :               0.00000736938289
                   -1 :              -0.00000342934681
                   +0 :               0.00000437553503
                   +1 :              -0.00000062221663
                   +2 :               0.00000635272079
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 20)  npairs=  14
              1 vec=     2.593388      1.738956      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00036328336639
                2s
                   +0 :               0.03016287872299
                3s
                   +0 :               0.00065617539143
                2p
                   -1 :               0.00281827700239
                   +0 :               0.01939179763329
                   +1 :               0.00507692681332
                3p
                   -1 :               0.00688918893128
                   +0 :              -0.00002076430992
                   +1 :               0.00285305841322
                3d
                   -2 :               0.00071555043670
                   -1 :               0.00107918937921
                   +0 :               0.00078455778281
                   +1 :               0.00166557694766
                   +2 :              -0.00020736723764
              2 vec=    -5.186775     -2.752923      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00121885729911
                2s
                   +0 :              -0.01081786555934
                3s
                   +0 :               0.00527273878154
                2p
                   -1 :               0.00615850268763
                   +0 :              -0.01163870766416
                   +1 :               0.01413534563238
                3p
                   -1 :              -0.00370343470848
                   +0 :               0.00778581111491
                   +1 :              -0.01144336501250
                3d
                   -2 :               0.00059775004493
                   -1 :              -0.00051719631952
                   +0 :               0.00040441743374
                   +1 :              -0.00104626153393
                   +2 :               0.00048230802766
              3 vec=     2.593388     -7.244802      4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00027904935231
                2s
                   +0 :               0.00165511425245
                3s
                   +0 :              -0.00076049154410
                2p
                   -1 :              -0.00061190258690
                   +0 :               0.00196979521619
                   +1 :              -0.00232848140106
                3p
                   -1 :               0.00022052788221
                   +0 :               0.00007864402133
                   +1 :               0.00139477264123
                3d
                   -2 :              -0.00010795599383
                   -1 :              -0.00011627152178
                   +0 :               0.00017961982473
                   +1 :              -0.00010398488277
                   +2 :              -0.00003972651271
              4 vec=    -5.186775      6.230835      4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00005758181450
                2s
                   +0 :               0.00052683125027
                3s
                   +0 :              -0.00047556211839
                2p
                   -1 :               0.00049408265886
                   +0 :              -0.00068530235832
                   +1 :               0.00180744758830
                3p
                   -1 :              -0.00088823920178
                   +0 :              -0.00009521128056
                   +1 :              -0.00130885081619
                3d
                   -2 :              -0.00002831843043
                   -1 :               0.00005506761978
                   +0 :              -0.00005367092427
                   +1 :              -0.00004235232490
                   +2 :               0.00000131814798
              5 vec=    10.373550     -2.752923      4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00017324450728
                2s
                   +0 :              -0.00068223214509
                3s
                   +0 :               0.00076522037334
                2p
                   -1 :              -0.00058564684278
                   +0 :               0.00022806013848
                   +1 :              -0.00113194854533
                3p
                   -1 :               0.00025779291242
                   +0 :               0.00025431922732
                   +1 :               0.00155121819041
                3d
                   -2 :              -0.00000597845516
                   -1 :              -0.00004775100666
                   +0 :              -0.00003367156080
                   +1 :              -0.00000488518335
                   +2 :               0.00009663349196
              6 vec=     2.593388     10.722714      4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00002673462542
                2s
                   +0 :               0.00029317623775
                3s
                   +0 :              -0.00011415356449
                2p
                   -1 :               0.00044326535423
                   +0 :               0.00005354808827
                   +1 :               0.00012934246157
                3p
                   -1 :              -0.00031878670451
                   +0 :              -0.00002016329331
                   +1 :              -0.00027120944783
                3d
                   -2 :              -0.00002178996098
                   -1 :              -0.00000857659621
                   +0 :               0.00000525642152
                   +1 :              -0.00001243923994
                   +2 :               0.00001582518361
              7 vec=    10.373550      6.230835      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00002898132325
                2s
                   +0 :               0.00018061302967
                3s
                   +0 :               0.00015676085389
                2p
                   -1 :              -0.00060056196886
                   +0 :              -0.00000092662646
                   +1 :              -0.00039279377461
                3p
                   -1 :               0.00049525819548
                   +0 :               0.00012694498817
                   +1 :               0.00048984673771
                3d
                   -2 :               0.00000765195449
                   -1 :              -0.00000652955310
                   +0 :              -0.00000804490186
                   +1 :               0.00002491743347
                   +2 :               0.00001915847102
              8 vec=    -5.186775    -11.736681      4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00006017861067
                2s
                   +0 :              -0.00045180910824
                3s
                   +0 :               0.00008567888492
                2p
                   -1 :              -0.00013966891343
                   +0 :               0.00012073407305
                   +1 :               0.00049663003398
                3p
                   -1 :               0.00014341787240
                   +0 :              -0.00026423962264
                   +1 :              -0.00052984356346
                3d
                   -2 :               0.00004543640744
                   -1 :               0.00004683548474
                   +0 :              -0.00001800548267
                   +1 :               0.00000830599256
                   +2 :               0.00004992646482
              9 vec=   -12.966938      1.738956      4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00010295430335
                2s
                   +0 :               0.00018201625251
                3s
                   +0 :              -0.00035928126936
                2p
                   -1 :               0.00010017237715
                   +0 :               0.00008725934937
                   +1 :               0.00079410537553
                3p
                   -1 :              -0.00011848633998
                   +0 :              -0.00012670203151
                   +1 :              -0.00060553998635
                3d
                   -2 :               0.00000767086212
                   -1 :               0.00001614364813
                   +0 :              -0.00002469217404
                   +1 :              -0.00003062359429
                   +2 :               0.00001787065735
             10 vec=   -12.966938     -7.244802      4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00002801235107
                2s
                   +0 :               0.00015185807964
                3s
                   +0 :              -0.00017618906744
                2p
                   -1 :              -0.00017580244293
                   +0 :              -0.00008448277255
                   +1 :              -0.00010913231356
                3p
                   -1 :               0.00020058322972
                   +0 :               0.00002169799911
                   +1 :               0.00014433812797
                3d
                   -2 :              -0.00001673675147
                   -1 :               0.00001067651256
                   +0 :              -0.00001306780164
                   +1 :              -0.00000467875397
                   +2 :               0.00000576453816
             11 vec=    10.373550    -11.736681      4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00002035807597
                2s
                   +0 :              -0.00008290939283
                3s
                   +0 :               0.00009990373371
                2p
                   -1 :               0.00009741936387
                   +0 :               0.00012886659757
                   +1 :              -0.00024908934044
                3p
                   -1 :              -0.00017137926649
                   +0 :              -0.00004788543913
                   +1 :               0.00026707445265
                3d
                   -2 :              -0.00002665868108
                   -1 :               0.00000161486506
                   +0 :              -0.00001605748600
                   +1 :               0.00000575678132
                   +2 :              -0.00000203785176
             12 vec=    -5.186775     15.214593      4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00000103778387
                2s
                   +0 :              -0.00001251672233
                3s
                   +0 :              -0.00000001978365
                2p
                   -1 :              -0.00005282107352
                   +0 :               0.00005985208806
                   +1 :              -0.00003214724186
                3p
                   -1 :               0.00001790761012
                   +0 :              -0.00005064349552
                   +1 :               0.00001146977371
                3d
                   -2 :               0.00000670758307
                   -1 :               0.00000007619301
                   +0 :              -0.00000292792634
                   +1 :               0.00000036470457
                   +2 :               0.00000008501344
             13 vec=     2.593388    -16.228560      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00001035208899
                2s
                   +0 :               0.00006115998888
                3s
                   +0 :              -0.00003648351633
                2p
                   -1 :              -0.00009034978341
                   +0 :              -0.00005850625578
                   +1 :               0.00003719128334
                3p
                   -1 :               0.00007402766930
                   +0 :               0.00003240852075
                   +1 :              -0.00003676890636
                3d
                   -2 :               0.00000776342137
                   -1 :              -0.00000024097980
                   +0 :               0.00000006327962
                   +1 :              -0.00000414429707
                   +2 :               0.00000234859158
             14 vec=   -12.966938     10.722714      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00001909804868
                2s
                   +0 :              -0.00015158632960
                3s
                   +0 :               0.00005356493448
                2p
                   -1 :               0.00002072960701
                   +0 :              -0.00006269880879
                   +1 :               0.00014844655529
                3p
                   -1 :              -0.00002771350517
                   +0 :               0.00001730737947
                   +1 :              -0.00009126701645
                3d
                   -2 :               0.00000540857521
                   -1 :              -0.00000223035870
                   +0 :              -0.00000276287670
                   +1 :              -0.00000243612860
                   +2 :              -0.00000076579657
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 21)  npairs=  14
              1 vec=    -2.802674      1.376461      4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00062139113731
                2s
                   +0 :              -0.03376610038129
                3s
                   +0 :              -0.00023143287089
                2p
                   -1 :              -0.00921316343777
                   +0 :              -0.02128796733142
                   +1 :               0.00560505047244
                3p
                   -1 :              -0.00004067296868
                   +0 :              -0.00189770638836
                   +1 :               0.00152931813886
                3d
                   -2 :               0.00051987273699
                   -1 :              -0.00132114955779
                   +0 :              -0.00180684892932
                   +1 :               0.00154536951669
                   +2 :              -0.00007040563498
              2 vec=     4.977489     -3.115418      4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00173179473432
                2s
                   +0 :               0.01109068664661
                3s
                   +0 :              -0.00577519197569
                2p
                   -1 :              -0.00188195825885
                   +0 :               0.00071663332130
                   +1 :               0.01074886627639
                3p
                   -1 :               0.00042431886096
                   +0 :               0.00016373467096
                   +1 :              -0.00867998124707
                3d
                   -2 :               0.00038992198230
                   -1 :               0.00015497618128
                   +0 :               0.00024744158980
                   +1 :              -0.00016643948044
                   +2 :              -0.00040309990316
              3 vec=     4.977489      5.868340      4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00011147735329
                2s
                   +0 :               0.00023201965965
                3s
                   +0 :               0.00000073171617
                2p
                   -1 :               0.00271398568529
                   +0 :              -0.00224453023914
                   +1 :               0.00174952215542
                3p
                   -1 :              -0.00121170741298
                   +0 :               0.00099905855631
                   +1 :              -0.00094303302395
                3d
                   -2 :              -0.00005395888317
                   -1 :               0.00006918638841
                   +0 :              -0.00008213537653
                   +1 :              -0.00016325495572
                   +2 :              -0.00003315810995
              4 vec=    -2.802674     -7.607297      4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00011570801287
                2s
                   +0 :              -0.00041367326854
                3s
                   +0 :               0.00017069543729
                2p
                   -1 :              -0.00224292910329
                   +0 :              -0.00253166305434
                   +1 :              -0.00279772372601
                3p
                   -1 :               0.00209430100993
                   +0 :               0.00115656308410
                   +1 :               0.00193199299131
                3d
                   -2 :              -0.00005477224473
                   -1 :              -0.00000975599160
                   +0 :              -0.00000331691032
                   +1 :               0.00011080276528
                   +2 :               0.00001453767261
              5 vec=    -2.802674     10.360219      4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00012248797725
                2s
                   +0 :              -0.00088079043302
                3s
                   +0 :               0.00042325369593
                2p
                   -1 :              -0.00071003843265
                   +0 :              -0.00004226014541
                   +1 :              -0.00021220113068
                3p
                   -1 :               0.00048811281044
                   +0 :              -0.00004427912839
                   +1 :               0.00007186394946
                3d
                   -2 :               0.00000628903171
                   -1 :               0.00000668882293
                   +0 :               0.00004574633040
                   +1 :               0.00000135252156
                   +2 :              -0.00002285753347
              6 vec=   -10.582837     -3.115418      4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00002229308235
                2s
                   +0 :              -0.00027587164957
                3s
                   +0 :              -0.00001674226995
                2p
                   -1 :               0.00061526215221
                   +0 :              -0.00063755146633
                   +1 :              -0.00070723331697
                3p
                   -1 :              -0.00045992057906
                   +0 :               0.00040363831025
                   +1 :               0.00074341592869
                3d
                   -2 :              -0.00001890526485
                   -1 :               0.00002403567505
                   +0 :              -0.00003488729025
                   +1 :              -0.00005530653790
                   +2 :              -0.00011532545355
              7 vec=   -10.582837      5.868340      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00003497774279
                2s
                   +0 :              -0.00064138749963
                3s
                   +0 :               0.00013238588598
                2p
                   -1 :              -0.00016273184810
                   +0 :               0.00037977535926
                   +1 :              -0.00001490044176
                3p
                   -1 :               0.00011193368218
                   +0 :              -0.00031849773796
                   +1 :               0.00004588152427
                3d
                   -2 :              -0.00003770452264
                   -1 :              -0.00000865214788
                   +0 :              -0.00002502303718
                   +1 :               0.00000094910968
                   +2 :              -0.00002011931781
              8 vec=    12.757651      1.376461      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00005095981154
                2s
                   +0 :               0.00088934879476
                3s
                   +0 :              -0.00003012889771
                2p
                   -1 :               0.00068655581209
                   +0 :               0.00065862005730
                   +1 :               0.00027347625453
                3p
                   -1 :              -0.00049105936175
                   +0 :              -0.00010651759550
                   +1 :              -0.00013374606976
                3d
                   -2 :              -0.00000309360567
                   -1 :               0.00000615116874
                   +0 :               0.00003353988286
                   +1 :               0.00000445980799
                   +2 :               0.00002121538515
              9 vec=     4.977489    -12.099176      4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00006647884744
                2s
                   +0 :               0.00053021845700
                3s
                   +0 :              -0.00014010886838
                2p
                   -1 :              -0.00010792699415
                   +0 :               0.00031110523324
                   +1 :               0.00017639285351
                3p
                   -1 :               0.00005449409610
                   +0 :              -0.00006911987022
                   +1 :              -0.00023611835221
                3d
                   -2 :               0.00002828942319
                   -1 :              -0.00000863418964
                   +0 :               0.00001372837260
                   +1 :              -0.00002551301291
                   +2 :               0.00001712230139
             10 vec=    12.757651     -7.607297      4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00002756779733
                2s
                   +0 :               0.00020219689379
                3s
                   +0 :              -0.00005273691574
                2p
                   -1 :              -0.00012015663154
                   +0 :               0.00003793437042
                   +1 :               0.00002700908583
                3p
                   -1 :               0.00002991787397
                   +0 :               0.00000546540423
                   +1 :               0.00003623107211
                3d
                   -2 :              -0.00000607863303
                   -1 :               0.00000560391983
                   +0 :              -0.00000080000836
                   +1 :               0.00000339668590
                   +2 :               0.00001452032451
             11 vec=     4.977489     14.852098      4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00001242395376
                2s
                   +0 :              -0.00005095199413
                3s
                   +0 :               0.00005461477372
                2p
                   -1 :               0.00000413072195
                   +0 :              -0.00000820144833
                   +1 :              -0.00003090967717
                3p
                   -1 :               0.00003620730451
                   +0 :               0.00003140889898
                   +1 :               0.00000420256912
                3d
                   -2 :              -0.00000171874132
                   -1 :               0.00000400315219
                   +0 :              -0.00000066528729
                   +1 :              -0.00000270695620
                   +2 :               0.00000057003558
             12 vec=   -10.582837    -12.099176      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00002702757054
                2s
                   +0 :              -0.00018095611619
                3s
                   +0 :               0.00005519317031
                2p
                   -1 :               0.00011326778865
                   +0 :               0.00010851719940
                   +1 :               0.00008135848731
                3p
                   -1 :              -0.00002358246242
                   +0 :              -0.00013942472693
                   +1 :              -0.00002189698171
                3d
                   -2 :              -0.00000498167672
                   -1 :               0.00000617055310
                   +0 :               0.00000751061755
                   +1 :               0.00001099124485
                   +2 :              -0.00000840671081
             13 vec=    12.757651     10.360219      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00002155389529
                2s
                   +0 :               0.00015028711512
                3s
                   +0 :              -0.00004005437675
                2p
                   -1 :               0.00014929599369
                   +0 :               0.00001186620842
                   +1 :               0.00002978920637
                3p
                   -1 :              -0.00009693880905
                   +0 :               0.00002087677231
                   +1 :               0.00001028536013
                3d
                   -2 :               0.00000383390615
                   -1 :              -0.00000316730076
                   +0 :               0.00000630196842
                   +1 :              -0.00000295920855
                   +2 :               0.00001026382370
             14 vec=    -2.802674    -16.591055      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00001774811455
                2s
                   +0 :              -0.00009068858783
                3s
                   +0 :               0.00005599439007
                2p
                   -1 :               0.00000359959886
                   +0 :               0.00001307943767
                   +1 :              -0.00001658210669
                3p
                   -1 :              -0.00000246904918
                   +0 :              -0.00000621149684
                   +1 :               0.00002723020260
                3d
                   -2 :              -0.00001019695864
                   -1 :               0.00000127279876
                   +0 :              -0.00000022317661
                   +1 :               0.00000330623625
                   +2 :              -0.00000262327838
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 22)  npairs=  15
              1 vec=    -5.186256     -0.000299     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00005728072176
                2s
                   +0 :              -0.00074297092910
                3s
                   +0 :              -0.00031169996912
                2p
                   -1 :               0.00129131197784
                   +0 :               0.00154187395641
                   +1 :              -0.00142386139675
                3p
                   -1 :              -0.00020470024412
                   +0 :              -0.00024695381877
                   +1 :               0.00172395528617
                3d
                   -2 :               0.00001744988701
                   -1 :              -0.00017921720050
                   +0 :               0.00004328949911
                   +1 :              -0.00012643101606
                   +2 :              -0.00006694982965
              2 vec=     2.593906      4.491580     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00014304055471
                2s
                   +0 :               0.00240408100692
                3s
                   +0 :               0.00025270741975
                2p
                   -1 :               0.00053110621865
                   +0 :              -0.00232970780399
                   +1 :              -0.00027363863386
                3p
                   -1 :               0.00096546709318
                   +0 :              -0.00004990155134
                   +1 :               0.00028030584153
                3d
                   -2 :               0.00011633530612
                   -1 :              -0.00018652338039
                   +0 :              -0.00001813614549
                   +1 :              -0.00014464237430
                   +2 :               0.00002471237422
              3 vec=     2.593906     -4.492178     -8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00009299513815
                2s
                   +0 :               0.00063061072161
                3s
                   +0 :              -0.00037044790634
                2p
                   -1 :               0.00033633153835
                   +0 :              -0.00077504176631
                   +1 :              -0.00030486300151
                3p
                   -1 :              -0.00015053973136
                   +0 :               0.00078671299387
                   +1 :               0.00017062769099
                3d
                   -2 :              -0.00006106158321
                   -1 :               0.00004431131703
                   +0 :              -0.00007165847879
                   +1 :              -0.00011418070864
                   +2 :               0.00003870317242
              4 vec=    -5.186256      8.983459     -8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00006493989999
                2s
                   +0 :              -0.00072350982152
                3s
                   +0 :               0.00009577943548
                2p
                   -1 :              -0.00045651810500
                   +0 :              -0.00001696679117
                   +1 :               0.00025381198800
                3p
                   -1 :               0.00010541355334
                   +0 :              -0.00011706133911
                   +1 :              -0.00014439370459
                3d
                   -2 :               0.00000801662870
                   -1 :               0.00000030644124
                   +0 :               0.00002107596996
                   +1 :               0.00002064360305
                   +2 :               0.00002159188481
              5 vec=    -5.186256     -8.984057     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001053416246
                2s
                   +0 :              -0.00010837793562
                3s
                   +0 :               0.00000965030033
                2p
                   -1 :               0.00003275806261
                   +0 :              -0.00026519821978
                   +1 :              -0.00000565283519
                3p
                   -1 :              -0.00007974863368
                   +0 :               0.00028185451981
                   +1 :              -0.00000162925786
                3d
                   -2 :               0.00000240430562
                   -1 :              -0.00000075296702
                   +0 :              -0.00001015487451
                   +1 :              -0.00003332483639
                   +2 :              -0.00001348103596
              6 vec=    10.374069     -0.000299     -8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00007398291874
                2s
                   +0 :               0.00083305511000
                3s
                   +0 :              -0.00020437205292
                2p
                   -1 :               0.00024568854259
                   +0 :              -0.00029690853686
                   +1 :               0.00040114960919
                3p
                   -1 :              -0.00031798732532
                   +0 :               0.00011436477558
                   +1 :              -0.00025728007568
                3d
                   -2 :              -0.00005942885681
                   -1 :               0.00002405752075
                   +0 :               0.00003987710751
                   +1 :               0.00002980390732
                   +2 :              -0.00000502132486
              7 vec=   -12.966419      4.491580     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00001134743838
                2s
                   +0 :              -0.00005009951214
                3s
                   +0 :              -0.00006181957787
                2p
                   -1 :              -0.00006836149888
                   +0 :               0.00006441697032
                   +1 :               0.00010417112336
                3p
                   -1 :               0.00007187350334
                   +0 :              -0.00000848910503
                   +1 :               0.00001168221056
                3d
                   -2 :              -0.00000435014294
                   -1 :              -0.00000831602902
                   +0 :              -0.00000152266962
                   +1 :              -0.00000835164450
                   +2 :              -0.00001006688531
              8 vec=   -12.966419     -4.492178     -8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00001416188083
                2s
                   +0 :              -0.00013479798627
                3s
                   +0 :               0.00001842896092
                2p
                   -1 :               0.00018628069358
                   +0 :               0.00003667680207
                   +1 :               0.00005595877943
                3p
                   -1 :              -0.00009636941633
                   +0 :               0.00003439310154
                   +1 :               0.00001494766385
                3d
                   -2 :               0.00000326268816
                   -1 :              -0.00000480987573
                   +0 :               0.00000198860092
                   +1 :              -0.00000711203374
                   +2 :              -0.00000934176463
              9 vec=     2.593906     13.475338     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001446525189
                2s
                   +0 :               0.00012795706252
                3s
                   +0 :              -0.00003892352274
                2p
                   -1 :               0.00004792578023
                   +0 :              -0.00004868878831
                   +1 :              -0.00007114013994
                3p
                   -1 :               0.00000232058432
                   +0 :               0.00004687629288
                   +1 :               0.00003325754436
                3d
                   -2 :               0.00000333863327
                   -1 :              -0.00000121539083
                   +0 :              -0.00001642850679
                   +1 :               0.00000011768679
                   +2 :               0.00000705846934
             10 vec=    10.374069      8.983459     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00004221093142
                2s
                   +0 :              -0.00024979636975
                3s
                   +0 :               0.00020748428772
                2p
                   -1 :              -0.00023637495923
                   +0 :               0.00014188526579
                   +1 :              -0.00019899294294
                3p
                   -1 :               0.00022859490689
                   +0 :              -0.00013464390651
                   +1 :               0.00014610144148
                3d
                   -2 :               0.00002306127085
                   -1 :              -0.00000963784031
                   +0 :              -0.00000975426219
                   +1 :              -0.00002433144926
                   +2 :               0.00001134841623
             11 vec=     2.593906    -13.475936     -8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00002157650228
                2s
                   +0 :               0.00018665561967
                3s
                   +0 :              -0.00005801751022
                2p
                   -1 :              -0.00018497763639
                   +0 :               0.00010856100634
                   +1 :              -0.00004130651648
                3p
                   -1 :               0.00008757333001
                   +0 :              -0.00014977049286
                   +1 :               0.00001880894351
                3d
                   -2 :               0.00000342304541
                   -1 :               0.00000415804641
                   +0 :               0.00000726417252
                   +1 :               0.00000303596773
                   +2 :               0.00001137375365
             12 vec=    10.374069     -8.984057     -8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00001456023632
                2s
                   +0 :              -0.00008972535918
                3s
                   +0 :               0.00006867456014
                2p
                   -1 :               0.00012031326757
                   +0 :              -0.00007469565331
                   +1 :              -0.00004867044195
                3p
                   -1 :              -0.00009572434992
                   +0 :               0.00004355744936
                   +1 :               0.00007107318415
                3d
                   -2 :              -0.00000604474748
                   -1 :               0.00000341537540
                   +0 :              -0.00001552877475
                   +1 :              -0.00000902631517
                   +2 :               0.00000288398876
             13 vec=    -5.186256     -0.000299     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00000289964260
                2s
                   +0 :               0.00002168263772
                3s
                   +0 :              -0.00000628132643
                2p
                   -1 :              -0.00000875765049
                   +0 :              -0.00002892128255
                   +1 :               0.00004564145627
                3p
                   -1 :               0.00001082646628
                   +0 :              -0.00000540641882
                   +1 :              -0.00004268944101
                3d
                   -2 :               0.00000085590563
                   -1 :               0.00000018210689
                   +0 :               0.00000092002755
                   +1 :               0.00000011787053
                   +2 :              -0.00000252770278
             14 vec=     2.593906      4.491580     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001484432749
                2s
                   +0 :              -0.00011751010376
                3s
                   +0 :               0.00003001958102
                2p
                   -1 :              -0.00001919740964
                   +0 :              -0.00005681385550
                   +1 :              -0.00001266228712
                3p
                   -1 :              -0.00001757395142
                   +0 :               0.00001470771209
                   +1 :              -0.00001907461840
                3d
                   -2 :              -0.00000473333322
                   -1 :              -0.00000129424523
                   +0 :              -0.00000268841264
                   +1 :               0.00000007362918
                   +2 :              -0.00000107954827
             15 vec=     2.593906     -4.492178     16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00000103513857
                2s
                   +0 :               0.00002707636052
                3s
                   +0 :               0.00000091036535
                2p
                   -1 :              -0.00000604089210
                   +0 :               0.00006564659596
                   +1 :              -0.00012174914210
                3p
                   -1 :              -0.00002452947777
                   +0 :               0.00000877809499
                   +1 :               0.00004200360663
                3d
                   -2 :               0.00000117361822
                   -1 :              -0.00000604103772
                   +0 :               0.00000921560160
                   +1 :               0.00000087791003
                   +2 :              -0.00000113252355
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 23)  npairs=  14
              1 vec=    -0.419091     -0.000299     -8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00006931692803
                2s
                   +0 :               0.00053122227927
                3s
                   +0 :              -0.00042682116156
                2p
                   -1 :               0.00203242162717
                   +0 :               0.00150082776590
                   +1 :               0.00037818399961
                3p
                   -1 :              -0.00179528190493
                   +0 :              -0.00110490903027
                   +1 :              -0.00108390327738
                3d
                   -2 :              -0.00000740144994
                   -1 :               0.00012649424485
                   +0 :               0.00018954599219
                   +1 :              -0.00006185420163
                   +2 :              -0.00008195185186
              2 vec=     7.361071      4.491580     -8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00002658972632
                2s
                   +0 :               0.00079517332786
                3s
                   +0 :               0.00014845824224
                2p
                   -1 :               0.00032050890695
                   +0 :              -0.00038744413173
                   +1 :              -0.00030919195497
                3p
                   -1 :               0.00007326314037
                   +0 :              -0.00017305712426
                   +1 :               0.00046531281182
                3d
                   -2 :               0.00000248433795
                   -1 :              -0.00006573143114
                   +0 :              -0.00002552911506
                   +1 :               0.00001664951516
                   +2 :               0.00002474901685
              3 vec=     7.361071     -4.492178     -8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00015342719608
                2s
                   +0 :              -0.00097873231312
                3s
                   +0 :               0.00048892459320
                2p
                   -1 :              -0.00054090632923
                   +0 :               0.00044879377869
                   +1 :               0.00017636208862
                3p
                   -1 :               0.00048585380022
                   +0 :              -0.00016627468714
                   +1 :              -0.00031033742317
                3d
                   -2 :               0.00001374757184
                   -1 :              -0.00004957742376
                   +0 :               0.00003184305489
                   +1 :               0.00004518378215
                   +2 :              -0.00005808492384
              4 vec=    -0.419091      8.983459     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00002895725843
                2s
                   +0 :               0.00018457802182
                3s
                   +0 :              -0.00020155276130
                2p
                   -1 :               0.00007372076061
                   +0 :              -0.00035808194092
                   +1 :              -0.00054895984767
                3p
                   -1 :              -0.00019768250534
                   +0 :               0.00029461841945
                   +1 :               0.00017058698923
                3d
                   -2 :              -0.00000360773087
                   -1 :               0.00006703954947
                   +0 :              -0.00001446992483
                   +1 :              -0.00000888593610
                   +2 :               0.00004224763928
              5 vec=    -0.419091     -8.984057     -8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00013444172735
                2s
                   +0 :              -0.00091566262729
                3s
                   +0 :               0.00053698998024
                2p
                   -1 :               0.00096050672389
                   +0 :               0.00036012045351
                   +1 :              -0.00028899942734
                3p
                   -1 :              -0.00062079550934
                   +0 :              -0.00028617191641
                   +1 :               0.00028625925459
                3d
                   -2 :              -0.00004719070017
                   -1 :               0.00008909960504
                   +0 :              -0.00003108420020
                   +1 :              -0.00000259570652
                   +2 :              -0.00014314118928
              6 vec=    -8.199254      4.491580     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00010356874006
                2s
                   +0 :              -0.00113235459755
                3s
                   +0 :               0.00016400896998
                2p
                   -1 :              -0.00055612010459
                   +0 :               0.00007053448356
                   +1 :               0.00084253261385
                3p
                   -1 :               0.00021107099945
                   +0 :               0.00034166199758
                   +1 :              -0.00040222717115
                3d
                   -2 :              -0.00002632371927
                   -1 :               0.00005697223666
                   +0 :              -0.00003395596472
                   +1 :              -0.00000173017280
                   +2 :              -0.00000405338906
              7 vec=    -8.199254     -4.492178     -8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00002234414053
                2s
                   +0 :               0.00004329558343
                3s
                   +0 :              -0.00009688230601
                2p
                   -1 :               0.00026974570551
                   +0 :               0.00006722139263
                   +1 :               0.00012848602324
                3p
                   -1 :              -0.00017399597964
                   +0 :              -0.00007722174812
                   +1 :              -0.00006437883499
                3d
                   -2 :              -0.00000089273258
                   -1 :              -0.00001552198612
                   +0 :               0.00000907843287
                   +1 :               0.00002262179590
                   +2 :               0.00001689094849
              8 vec=    -0.419091     -0.000299     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00000301774422
                2s
                   +0 :               0.00002947824355
                3s
                   +0 :              -0.00001544913394
                2p
                   -1 :              -0.00000276748381
                   +0 :               0.00001940738854
                   +1 :               0.00002008893309
                3p
                   -1 :              -0.00000493572503
                   +0 :              -0.00003482273943
                   +1 :              -0.00002369440767
                3d
                   -2 :               0.00000021603108
                   -1 :              -0.00000130542416
                   +0 :              -0.00000205957915
                   +1 :              -0.00000499502764
                   +2 :              -0.00000069482135
              9 vec=    15.141234     -0.000299     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00002180374495
                2s
                   +0 :               0.00020628818866
                3s
                   +0 :              -0.00004400055157
                2p
                   -1 :              -0.00009223241680
                   +0 :              -0.00013985998863
                   +1 :               0.00013922061406
                3p
                   -1 :               0.00001643731326
                   +0 :               0.00009043255325
                   +1 :              -0.00008679678276
                3d
                   -2 :              -0.00000281187439
                   -1 :               0.00000334050482
                   +0 :              -0.00000105186019
                   +1 :               0.00000310082225
                   +2 :              -0.00000118627937
             10 vec=     7.361071     13.475338     -8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00001181437935
                2s
                   +0 :               0.00013562861406
                3s
                   +0 :              -0.00001755161288
                2p
                   -1 :               0.00016243169558
                   +0 :              -0.00005190720632
                   +1 :               0.00006995161303
                3p
                   -1 :              -0.00003882593392
                   +0 :               0.00001864235749
                   +1 :              -0.00003053089009
                3d
                   -2 :              -0.00000022175648
                   -1 :              -0.00000115562075
                   +0 :               0.00000073550891
                   +1 :               0.00000274157124
                   +2 :               0.00000087191143
             11 vec=     7.361071    -13.475936     -8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00001135092414
                2s
                   +0 :               0.00005392126571
                3s
                   +0 :              -0.00003527242062
                2p
                   -1 :               0.00002163149309
                   +0 :              -0.00005299844293
                   +1 :              -0.00007488292594
                3p
                   -1 :               0.00001038210971
                   +0 :               0.00002888728958
                   +1 :               0.00008392575073
                3d
                   -2 :              -0.00000693051079
                   -1 :              -0.00000762463523
                   +0 :               0.00000432400981
                   +1 :              -0.00000424627771
                   +2 :               0.00001090289728
             12 vec=    -8.199254     13.475338     -8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00000938723987
                2s
                   +0 :              -0.00012479420921
                3s
                   +0 :              -0.00000592878420
                2p
                   -1 :              -0.00009883089232
                   +0 :               0.00000804929168
                   +1 :               0.00006677548735
                3p
                   -1 :              -0.00002507817916
                   +0 :               0.00002082562667
                   +1 :              -0.00000441540676
                3d
                   -2 :               0.00000942526443
                   -1 :               0.00001065549143
                   +0 :              -0.00000306108770
                   +1 :               0.00000123085667
                   +2 :               0.00000281654360
             13 vec=    -8.199254    -13.475936     -8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00001320196123
                2s
                   +0 :               0.00011688546423
                3s
                   +0 :              -0.00005458384556
                2p
                   -1 :              -0.00014448486211
                   +0 :              -0.00006155236427
                   +1 :              -0.00004691116082
                3p
                   -1 :               0.00007505860918
                   +0 :               0.00006224399574
                   +1 :               0.00003096974460
                3d
                   -2 :              -0.00000158073102
                   -1 :              -0.00001035267972
                   +0 :              -0.00000183004669
                   +1 :              -0.00000261006830
                   +2 :               0.00000034916795
             14 vec=   -15.979417     -0.000299     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000284016423
                2s
                   +0 :              -0.00006319132178
                3s
                   +0 :               0.00000078950365
                2p
                   -1 :               0.00006960488410
                   +0 :               0.00008979807118
                   +1 :               0.00003566396829
                3p
                   -1 :              -0.00001694098471
                   +0 :              -0.00006066711788
                   +1 :              -0.00001134344520
                3d
                   -2 :              -0.00000213965542
                   -1 :              -0.00000298568040
                   +0 :              -0.00000156703143
                   +1 :               0.00000466430910
                   +2 :              -0.00000147348918
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 24)  npairs=  15
              1 vec=    -2.802674     -4.128785     -8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00031422933984
                2s
                   +0 :               0.00208010783561
                3s
                   +0 :              -0.00108555989541
                2p
                   -1 :              -0.00170622167424
                   +0 :              -0.00101780363885
                   +1 :              -0.00014885362330
                3p
                   -1 :               0.00129064312000
                   +0 :               0.00049200724920
                   +1 :               0.00002132042660
                3d
                   -2 :               0.00007484796635
                   -1 :               0.00006071862750
                   +0 :               0.00006238578664
                   +1 :              -0.00006059569519
                   +2 :               0.00007757874214
              2 vec=     4.977489      0.363094     -8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00002898883552
                2s
                   +0 :               0.00061928513256
                3s
                   +0 :               0.00022247194155
                2p
                   -1 :              -0.00003564196036
                   +0 :              -0.00156554471114
                   +1 :               0.00034335093853
                3p
                   -1 :              -0.00070216794806
                   +0 :               0.00021586763523
                   +1 :               0.00022593976479
                3d
                   -2 :               0.00000548077767
                   -1 :               0.00013356622496
                   +0 :               0.00000672297953
                   +1 :              -0.00011799093358
                   +2 :               0.00002726429507
              3 vec=    -2.802674      4.854973     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00029528448188
                2s
                   +0 :              -0.00336779142697
                3s
                   +0 :               0.00036824245807
                2p
                   -1 :              -0.00170074720629
                   +0 :               0.00081093388787
                   +1 :               0.00018323154136
                3p
                   -1 :               0.00020052495796
                   +0 :               0.00081497026922
                   +1 :              -0.00034466259155
                3d
                   -2 :               0.00000528936409
                   -1 :               0.00006937733285
                   +0 :              -0.00012407664808
                   +1 :               0.00002255225336
                   +2 :               0.00002809197675
              4 vec=     4.977489     -8.620664     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00001819284877
                2s
                   +0 :               0.00009865866355
                3s
                   +0 :               0.00006268659596
                2p
                   -1 :               0.00041053199775
                   +0 :              -0.00010407831831
                   +1 :               0.00028782422799
                3p
                   -1 :              -0.00031859346814
                   +0 :              -0.00007366403743
                   +1 :              -0.00020885232638
                3d
                   -2 :               0.00002347547391
                   -1 :               0.00001031496452
                   +0 :               0.00002537049903
                   +1 :               0.00001935783812
                   +2 :              -0.00001079949250
              5 vec=   -10.582837      0.363094     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00011707182123
                2s
                   +0 :              -0.00108943023554
                3s
                   +0 :               0.00036308554472
                2p
                   -1 :              -0.00045404380136
                   +0 :               0.00050244351302
                   +1 :               0.00043700820851
                3p
                   -1 :               0.00045344586687
                   +0 :              -0.00025430336935
                   +1 :              -0.00025664225789
                3d
                   -2 :              -0.00009442103457
                   -1 :              -0.00002141083241
                   +0 :              -0.00002934268683
                   +1 :               0.00004384927899
                   +2 :               0.00002294974343
              6 vec=     4.977489      9.346852     -8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00004905934016
                2s
                   +0 :               0.00057444791749
                3s
                   +0 :              -0.00014313674989
                2p
                   -1 :               0.00039901429350
                   +0 :               0.00006754402687
                   +1 :               0.00011806222035
                3p
                   -1 :              -0.00010527150146
                   +0 :               0.00002284306375
                   +1 :              -0.00010938992359
                3d
                   -2 :               0.00000268791973
                   -1 :               0.00000550229511
                   +0 :               0.00001913767301
                   +1 :               0.00001545817593
                   +2 :              -0.00002648962301
              7 vec=    -2.802674    -13.112543     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00000383982548
                2s
                   +0 :              -0.00002181487805
                3s
                   +0 :               0.00001145690846
                2p
                   -1 :               0.00024925663401
                   +0 :               0.00010767197880
                   +1 :               0.00010512561310
                3p
                   -1 :              -0.00018114900545
                   +0 :              -0.00004466033634
                   +1 :              -0.00015360754014
                3d
                   -2 :               0.00001025203852
                   -1 :              -0.00000664239931
                   +0 :              -0.00001116243872
                   +1 :               0.00000700789189
                   +2 :              -0.00000846213308
              8 vec=    12.757651     -4.128785     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00000738502641
                2s
                   +0 :               0.00008535479546
                3s
                   +0 :               0.00006313785684
                2p
                   -1 :              -0.00016684657781
                   +0 :               0.00001945382183
                   +1 :              -0.00006579557413
                3p
                   -1 :               0.00004526513615
                   +0 :              -0.00014767368534
                   +1 :               0.00019482931191
                3d
                   -2 :              -0.00000756400105
                   -1 :               0.00000567233846
                   +0 :              -0.00000614415526
                   +1 :              -0.00003244634672
                   +2 :               0.00002527825487
              9 vec=   -10.582837     -8.620664     -8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00002834444176
                2s
                   +0 :               0.00018733389409
                3s
                   +0 :              -0.00011438890090
                2p
                   -1 :              -0.00013647202208
                   +0 :              -0.00010624169578
                   +1 :              -0.00012608284857
                3p
                   -1 :               0.00011229421728
                   +0 :               0.00010083399468
                   +1 :               0.00012587790637
                3d
                   -2 :               0.00000091865168
                   -1 :              -0.00000021768488
                   +0 :              -0.00000411660235
                   +1 :              -0.00001188567138
                   +2 :               0.00000114041147
             10 vec=    12.757651      4.854973     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00001783832272
                2s
                   +0 :               0.00021435749832
                3s
                   +0 :              -0.00000045854678
                2p
                   -1 :               0.00013819686739
                   +0 :              -0.00003752225712
                   +1 :               0.00020988760949
                3p
                   -1 :              -0.00005158383800
                   +0 :              -0.00004018507298
                   +1 :              -0.00007489454768
                3d
                   -2 :              -0.00000849229768
                   -1 :               0.00000396073552
                   +0 :               0.00000392926945
                   +1 :              -0.00000718915336
                   +2 :              -0.00001046749465
             11 vec=   -10.582837      9.346852     -8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00001454952645
                2s
                   +0 :              -0.00015724928155
                3s
                   +0 :               0.00003779292321
                2p
                   -1 :               0.00003083300004
                   +0 :              -0.00000079046793
                   +1 :               0.00008630822475
                3p
                   -1 :              -0.00005358466808
                   +0 :               0.00002883552164
                   +1 :              -0.00005133064239
                3d
                   -2 :              -0.00001360816617
                   -1 :              -0.00000325943217
                   +0 :              -0.00000517108523
                   +1 :               0.00000214784494
                   +2 :               0.00001307719308
             12 vec=    -2.802674     13.838731     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00002800363781
                2s
                   +0 :              -0.00022499878880
                3s
                   +0 :               0.00005574366416
                2p
                   -1 :              -0.00006456911981
                   +0 :              -0.00004303549080
                   +1 :              -0.00001984145302
                3p
                   -1 :              -0.00003073266129
                   +0 :               0.00005285846131
                   +1 :              -0.00001325020925
                3d
                   -2 :               0.00000144075411
                   -1 :               0.00000085178083
                   +0 :               0.00000428968206
                   +1 :               0.00000236324502
                   +2 :              -0.00000091569389
             13 vec=    -2.802674     -4.128785     16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00000134886926
                2s
                   +0 :              -0.00001995639644
                3s
                   +0 :               0.00000892286691
                2p
                   -1 :               0.00002353296301
                   +0 :              -0.00003958565959
                   +1 :              -0.00002625311719
                3p
                   -1 :               0.00000396440409
                   +0 :              -0.00001894343206
                   +1 :              -0.00002091099390
                3d
                   -2 :              -0.00000219235194
                   -1 :               0.00000210764916
                   +0 :              -0.00000723095380
                   +1 :              -0.00000027262079
                   +2 :              -0.00000142386927
             14 vec=     4.977489      0.363094     16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00001393675841
                2s
                   +0 :              -0.00011058690312
                3s
                   +0 :               0.00003711991226
                2p
                   -1 :               0.00008398549718
                   +0 :              -0.00013929728777
                   +1 :              -0.00009251682166
                3p
                   -1 :              -0.00004585068968
                   +0 :               0.00006315633767
                   +1 :               0.00005929492908
                3d
                   -2 :               0.00000111387958
                   -1 :              -0.00000560306331
                   +0 :              -0.00000488180729
                   +1 :               0.00000116069319
                   +2 :              -0.00000144493917
             15 vec=    -2.802674      4.854973     16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000216249887
                2s
                   +0 :               0.00003055396484
                3s
                   +0 :               0.00000813358954
                2p
                   -1 :              -0.00005805575307
                   +0 :              -0.00003572036869
                   +1 :              -0.00016505959337
                3p
                   -1 :               0.00003465612935
                   +0 :               0.00007614570189
                   +1 :               0.00008023303274
                3d
                   -2 :               0.00000097398606
                   -1 :              -0.00000077559017
                   +0 :               0.00000401952127
                   +1 :               0.00000039883984
                   +2 :              -0.00000035991906
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 25)  npairs=  18
              1 vec=    -3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00002755167577
                2s
                   +0 :               0.00009487629122
                3s
                   +0 :              -0.00018868109969
                2p
                   -1 :               0.00016850475268
                   +0 :              -0.00038071561272
                   +1 :              -0.00037532424552
                3p
                   -1 :              -0.00010759796291
                   +0 :               0.00041030179413
                   +1 :               0.00026372629078
                3d
                   -2 :               0.00000500372738
                   -1 :               0.00003145435255
                   +0 :              -0.00001087810687
                   +1 :              -0.00000199475969
                   +2 :               0.00000654788842
              2 vec=    -3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006000044694
                2s
                   +0 :              -0.00055192789041
                3s
                   +0 :               0.00019385060614
                2p
                   -1 :               0.00041992402952
                   +0 :              -0.00022474190270
                   +1 :              -0.00004327258135
                3p
                   -1 :              -0.00030379265646
                   +0 :               0.00014465812866
                   +1 :               0.00005068174553
                3d
                   -2 :               0.00001958035114
                   -1 :               0.00000434450979
                   +0 :               0.00004952211542
                   +1 :               0.00001138783969
                   +2 :               0.00000015025575
              3 vec=     4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00001892732950
                2s
                   +0 :               0.00022346948361
                3s
                   +0 :               0.00000105363680
                2p
                   -1 :              -0.00029756131123
                   +0 :              -0.00010441319120
                   +1 :               0.00000666334674
                3p
                   -1 :               0.00010823126950
                   +0 :              -0.00010518179407
                   +1 :              -0.00002599884394
                3d
                   -2 :               0.00001397387159
                   -1 :               0.00001808053399
                   +0 :               0.00000588385509
                   +1 :               0.00000804135775
                   +2 :              -0.00000770970566
              4 vec=     4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00004046885655
                2s
                   +0 :               0.00039056531825
                3s
                   +0 :              -0.00006646572351
                2p
                   -1 :              -0.00042717310948
                   +0 :               0.00034224577870
                   +1 :              -0.00043076482731
                3p
                   -1 :               0.00012386411116
                   +0 :              -0.00008335429889
                   +1 :               0.00025546293417
                3d
                   -2 :               0.00000357145074
                   -1 :              -0.00000518028756
                   +0 :               0.00000034767361
                   +1 :               0.00001214125907
                   +2 :              -0.00001667454662
              5 vec=    -3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004193978278
                2s
                   +0 :              -0.00022269999143
                3s
                   +0 :               0.00012718171099
                2p
                   -1 :              -0.00009454526924
                   +0 :               0.00016702033809
                   +1 :              -0.00026759201914
                3p
                   -1 :               0.00009686140732
                   +0 :              -0.00018506217602
                   +1 :               0.00019210567555
                3d
                   -2 :              -0.00001347706238
                   -1 :              -0.00000741656939
                   +0 :               0.00001848080140
                   +1 :              -0.00000616954682
                   +2 :               0.00000032444717
              6 vec=    -3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001798766248
                2s
                   +0 :               0.00008897802407
                3s
                   +0 :              -0.00004376432407
                2p
                   -1 :              -0.00016324893455
                   +0 :               0.00032447201869
                   +1 :              -0.00026006794664
                3p
                   -1 :               0.00016678185237
                   +0 :              -0.00020174582556
                   +1 :               0.00018444115634
                3d
                   -2 :               0.00000576749491
                   -1 :               0.00001010275153
                   +0 :              -0.00001465190077
                   +1 :               0.00000451538142
                   +2 :               0.00001717422877
              7 vec=     4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00012147147585
                2s
                   +0 :               0.00127409219012
                3s
                   +0 :              -0.00022905665772
                2p
                   -1 :               0.00015748534963
                   +0 :              -0.00077113455116
                   +1 :               0.00011548261127
                3p
                   -1 :               0.00003502020125
                   +0 :               0.00010891858954
                   +1 :               0.00003612139890
                3d
                   -2 :               0.00002296478426
                   -1 :              -0.00002225546967
                   +0 :               0.00002409870597
                   +1 :              -0.00001108258576
                   +2 :               0.00000143685077
              8 vec=     4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00002864907517
                2s
                   +0 :               0.00035349529801
                3s
                   +0 :              -0.00006430453881
                2p
                   -1 :               0.00012184579526
                   +0 :               0.00035910368457
                   +1 :              -0.00000338437170
                3p
                   -1 :              -0.00007457475910
                   +0 :              -0.00006481731496
                   +1 :               0.00010060278458
                3d
                   -2 :               0.00000062594788
                   -1 :              -0.00000385472175
                   +0 :               0.00000613851526
                   +1 :               0.00001547310216
                   +2 :               0.00001258938870
              9 vec=   -10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001524769569
                2s
                   +0 :              -0.00012240597874
                3s
                   +0 :               0.00002672853527
                2p
                   -1 :               0.00007374335109
                   +0 :               0.00007935567455
                   +1 :              -0.00002533357321
                3p
                   -1 :              -0.00001775738562
                   +0 :              -0.00001410736899
                   +1 :               0.00004684519962
                3d
                   -2 :              -0.00000320274703
                   -1 :               0.00000195106258
                   +0 :               0.00000264816876
                   +1 :              -0.00000435606245
                   +2 :              -0.00000462632918
             10 vec=   -10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001388901612
                2s
                   +0 :               0.00004627335106
                3s
                   +0 :              -0.00008474891735
                2p
                   -1 :              -0.00013777545688
                   +0 :               0.00018894302876
                   +1 :              -0.00006664427709
                3p
                   -1 :               0.00014034219988
                   +0 :              -0.00029153745710
                   +1 :               0.00010949790908
                3d
                   -2 :               0.00000160447385
                   -1 :               0.00000913876120
                   +0 :              -0.00001889087631
                   +1 :               0.00000945776422
                   +2 :               0.00000632164128
             11 vec=    -3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001259263181
                2s
                   +0 :              -0.00014926426679
                3s
                   +0 :               0.00003804714797
                2p
                   -1 :              -0.00001849211483
                   +0 :              -0.00002485780414
                   +1 :               0.00002183093303
                3p
                   -1 :              -0.00002909392135
                   +0 :               0.00008111217797
                   +1 :              -0.00004797470231
                3d
                   -2 :              -0.00000937266021
                   -1 :              -0.00000233974760
                   +0 :              -0.00000406424553
                   +1 :               0.00000280457780
                   +2 :              -0.00000546854272
             12 vec=    -3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000412235372
                2s
                   +0 :              -0.00002123309095
                3s
                   +0 :               0.00001159266576
                2p
                   -1 :              -0.00003722728896
                   +0 :              -0.00005932641903
                   +1 :              -0.00004625058853
                3p
                   -1 :               0.00002715372226
                   +0 :               0.00001672036129
                   +1 :               0.00001058162406
                3d
                   -2 :               0.00000258807779
                   -1 :              -0.00000449035718
                   +0 :               0.00000275194167
                   +1 :              -0.00000402905745
                   +2 :              -0.00000077859241
             13 vec=   -10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002700521907
                2s
                   +0 :              -0.00027010081823
                3s
                   +0 :               0.00004665800070
                2p
                   -1 :              -0.00010332214070
                   +0 :               0.00006612775205
                   +1 :               0.00009183705735
                3p
                   -1 :               0.00004617458805
                   +0 :               0.00001130414651
                   +1 :               0.00001162898061
                3d
                   -2 :              -0.00000082283506
                   -1 :              -0.00000147021636
                   +0 :              -0.00000564118927
                   +1 :               0.00000016971229
                   +2 :              -0.00000674267436
             14 vec=   -10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001225044512
                2s
                   +0 :              -0.00012678434446
                3s
                   +0 :               0.00001800035520
                2p
                   -1 :              -0.00001948255073
                   +0 :              -0.00006024865677
                   +1 :               0.00008424990845
                3p
                   -1 :              -0.00001245110408
                   +0 :               0.00000043285321
                   +1 :              -0.00001037501698
                3d
                   -2 :               0.00000565241395
                   -1 :               0.00000111500119
                   +0 :              -0.00000162898710
                   +1 :               0.00000353904950
                   +2 :               0.00000150156840
             15 vec=     4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000978281745
                2s
                   +0 :               0.00007697630726
                3s
                   +0 :              -0.00002576242237
                2p
                   -1 :              -0.00002046592960
                   +0 :              -0.00008801653734
                   +1 :               0.00007239705482
                3p
                   -1 :              -0.00000024978405
                   +0 :               0.00004498022283
                   +1 :              -0.00006141002469
                3d
                   -2 :               0.00000011260818
                   -1 :              -0.00000096310464
                   +0 :              -0.00000319555332
                   +1 :               0.00000537831676
                   +2 :               0.00000107765388
             16 vec=     4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002830878713
                2s
                   +0 :               0.00018694574364
                3s
                   +0 :              -0.00008995968269
                2p
                   -1 :              -0.00001407343342
                   +0 :               0.00009952085936
                   +1 :               0.00000251515690
                3p
                   -1 :              -0.00000121059151
                   +0 :              -0.00003750565915
                   +1 :              -0.00001815270914
                3d
                   -2 :              -0.00000158674692
                   -1 :              -0.00000247507458
                   +0 :              -0.00000355133716
                   +1 :              -0.00000631963393
                   +2 :              -0.00000756964702
             17 vec=    12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000063137481
                2s
                   +0 :               0.00007197157709
                3s
                   +0 :               0.00001851236843
                2p
                   -1 :              -0.00002124549821
                   +0 :               0.00004202399861
                   +1 :               0.00007085680011
                3p
                   -1 :               0.00001628764928
                   +0 :              -0.00007564943992
                   +1 :              -0.00001946840320
                3d
                   -2 :              -0.00000126862201
                   -1 :              -0.00000058845241
                   +0 :               0.00000505579127
                   +1 :              -0.00000471427296
                   +2 :               0.00000364312050
             18 vec=    12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000319889876
                2s
                   +0 :               0.00003949632984
                3s
                   +0 :              -0.00001763641646
                2p
                   -1 :               0.00007362612509
                   +0 :              -0.00002755445560
                   +1 :               0.00003140517905
                3p
                   -1 :              -0.00007507853941
                   +0 :               0.00003307834436
                   +1 :              -0.00003597622603
                3d
                   -2 :              -0.00000802059527
                   -1 :              -0.00000651453265
                   +0 :               0.00000246013792
                   +1 :              -0.00000321126264
                   +2 :              -0.00000543353482
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 26)  npairs=  14
              1 vec=     0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006479080470
                2s
                   +0 :               0.00041526025314
                3s
                   +0 :              -0.00028421189035
                2p
                   -1 :              -0.00020110790416
                   +0 :              -0.00051049779786
                   +1 :               0.00023257581033
                3p
                   -1 :               0.00016094570771
                   +0 :               0.00052379892002
                   +1 :              -0.00020809615576
                3d
                   -2 :               0.00000750078199
                   -1 :              -0.00002177563871
                   +0 :              -0.00004855911855
                   +1 :               0.00003478165911
                   +2 :               0.00000891667050
              2 vec=     0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00008395479521
                2s
                   +0 :              -0.00066034951822
                3s
                   +0 :               0.00028327882387
                2p
                   -1 :              -0.00020683781683
                   +0 :              -0.00052997743525
                   +1 :               0.00036891966563
                3p
                   -1 :               0.00022033080212
                   +0 :               0.00037908563963
                   +1 :              -0.00022402452983
                3d
                   -2 :              -0.00001805852617
                   -1 :               0.00002450546503
                   +0 :               0.00003708394295
                   +1 :              -0.00000825702602
                   +2 :              -0.00000140908711
              3 vec=     0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002830299542
                2s
                   +0 :              -0.00013311452795
                3s
                   +0 :               0.00005021678529
                2p
                   -1 :               0.00025395369630
                   +0 :              -0.00000683278848
                   +1 :              -0.00081983966101
                3p
                   -1 :              -0.00017130774438
                   +0 :              -0.00005907352606
                   +1 :               0.00027470035276
                3d
                   -2 :               0.00000263556813
                   -1 :              -0.00000134603148
                   +0 :              -0.00000557833939
                   +1 :               0.00000863464497
                   +2 :               0.00000545416312
              4 vec=     0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00005665601685
                2s
                   +0 :              -0.00013693129581
                3s
                   +0 :               0.00019954623915
                2p
                   -1 :              -0.00031462158077
                   +0 :               0.00021560048708
                   +1 :              -0.00057254376789
                3p
                   -1 :               0.00030335785514
                   +0 :               0.00003928632152
                   +1 :               0.00004985047908
                3d
                   -2 :              -0.00000818117655
                   -1 :               0.00002774313952
                   +0 :               0.00000198802200
                   +1 :              -0.00003398222743
                   +2 :              -0.00000527958422
              5 vec=    -7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00005048846050
                2s
                   +0 :              -0.00042890037865
                3s
                   +0 :               0.00009944041711
                2p
                   -1 :               0.00019288224266
                   +0 :               0.00018847577403
                   +1 :               0.00008264972351
                3p
                   -1 :              -0.00020850247306
                   +0 :              -0.00006208583287
                   +1 :              -0.00003780786504
                3d
                   -2 :               0.00001236368226
                   -1 :               0.00001942860886
                   +0 :               0.00001675531050
                   +1 :              -0.00000303737352
                   +2 :               0.00000742186451
              6 vec=    -7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000873820825
                2s
                   +0 :              -0.00029561241108
                3s
                   +0 :              -0.00001738646682
                2p
                   -1 :              -0.00029348150577
                   +0 :              -0.00035515977763
                   +1 :               0.00029438107821
                3p
                   -1 :               0.00011422818031
                   +0 :               0.00014593273660
                   +1 :              -0.00020491661324
                3d
                   -2 :              -0.00000943309249
                   -1 :              -0.00000492535822
                   +0 :               0.00001184119633
                   +1 :              -0.00000439745344
                   +2 :               0.00002167505135
              7 vec=     7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003535118305
                2s
                   +0 :               0.00039528836591
                3s
                   +0 :              -0.00001030381128
                2p
                   -1 :              -0.00007471352684
                   +0 :              -0.00012598395914
                   +1 :               0.00010355906930
                3p
                   -1 :               0.00008294680912
                   +0 :              -0.00005241610181
                   +1 :               0.00000313018677
                3d
                   -2 :              -0.00000348172604
                   -1 :              -0.00000914745429
                   +0 :               0.00000459177895
                   +1 :              -0.00001358810428
                   +2 :               0.00000871966300
              8 vec=     7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002417098988
                2s
                   +0 :               0.00024971278086
                3s
                   +0 :              -0.00010676598342
                2p
                   -1 :              -0.00001839361291
                   +0 :               0.00012735236174
                   +1 :              -0.00003954764677
                3p
                   -1 :               0.00012943925229
                   +0 :              -0.00004239376411
                   +1 :               0.00003216673161
                3d
                   -2 :               0.00000739386855
                   -1 :               0.00001068384763
                   +0 :              -0.00001796049790
                   +1 :               0.00000253755990
                   +2 :              -0.00000195599595
              9 vec=    -7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000075869026
                2s
                   +0 :              -0.00000177288579
                3s
                   +0 :              -0.00000573136775
                2p
                   -1 :               0.00004042333491
                   +0 :              -0.00008485581755
                   +1 :               0.00011487180355
                3p
                   -1 :              -0.00001531439104
                   +0 :               0.00007147314300
                   +1 :              -0.00007057358049
                3d
                   -2 :              -0.00000059253100
                   -1 :              -0.00000526262145
                   +0 :              -0.00000631032220
                   +1 :               0.00000328988197
                   +2 :               0.00000353837368
             10 vec=    -7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002941267688
                2s
                   +0 :              -0.00018099041255
                3s
                   +0 :               0.00007256931803
                2p
                   -1 :               0.00012044320808
                   +0 :              -0.00016516081931
                   +1 :               0.00032699200204
                3p
                   -1 :              -0.00005714005558
                   +0 :               0.00007254342286
                   +1 :              -0.00027023052605
                3d
                   -2 :               0.00000959783829
                   -1 :              -0.00000707881231
                   +0 :               0.00000603791170
                   +1 :              -0.00002077109412
                   +2 :               0.00000231335196
             11 vec=     7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002302109766
                2s
                   +0 :              -0.00018680777987
                3s
                   +0 :               0.00009673956693
                2p
                   -1 :               0.00006362772631
                   +0 :               0.00014014321820
                   +1 :               0.00003669713959
                3p
                   -1 :              -0.00003532330690
                   +0 :              -0.00011256314403
                   +1 :               0.00000204671320
                3d
                   -2 :              -0.00000109349170
                   -1 :               0.00000382962787
                   +0 :               0.00001549348499
                   +1 :              -0.00000600208992
                   +2 :               0.00000393374964
             12 vec=     7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001172563217
                2s
                   +0 :              -0.00007495771905
                3s
                   +0 :               0.00004529092307
                2p
                   -1 :               0.00004789760515
                   +0 :              -0.00005450281611
                   +1 :              -0.00018099367343
                3p
                   -1 :              -0.00003503083146
                   +0 :               0.00006515628080
                   +1 :               0.00015764546504
                3d
                   -2 :              -0.00000133711964
                   -1 :              -0.00000309549480
                   +0 :               0.00000235275053
                   +1 :               0.00000555203777
                   +2 :              -0.00001299339122
             13 vec=     0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00003148083047
                2s
                   +0 :               0.00021435545760
                3s
                   +0 :              -0.00008224336434
                2p
                   -1 :               0.00007306034559
                   +0 :              -0.00004150623273
                   +1 :              -0.00004494652357
                3p
                   -1 :              -0.00008417063401
                   +0 :               0.00001679729066
                   +1 :               0.00002062716955
                3d
                   -2 :              -0.00000190042572
                   -1 :               0.00000042685648
                   +0 :               0.00000347339335
                   +1 :              -0.00000680650171
                   +2 :              -0.00001001944139
             14 vec=     0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001189475827
                2s
                   +0 :               0.00005673978692
                3s
                   +0 :              -0.00002233246358
                2p
                   -1 :               0.00004798711902
                   +0 :               0.00001298548893
                   +1 :              -0.00003924221182
                3p
                   -1 :              -0.00003859269899
                   +0 :               0.00000998475558
                   +1 :               0.00005546507992
                3d
                   -2 :              -0.00000541189212
                   -1 :              -0.00000678096889
                   +0 :               0.00000060926397
                   +1 :               0.00000741446951
                   +2 :              -0.00000915181767
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 27)  npairs=  14
              1 vec=     2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00001133158113
                2s
                   +0 :               0.00014387896383
                3s
                   +0 :               0.00006376111087
                2p
                   -1 :              -0.00004974620027
                   +0 :               0.00012380227340
                   +1 :               0.00002970614837
                3p
                   -1 :              -0.00006585392441
                   +0 :              -0.00016079229669
                   +1 :              -0.00016756481614
                3d
                   -2 :               0.00001328515800
                   -1 :               0.00001557780465
                   +0 :               0.00000933195065
                   +1 :               0.00002490455801
                   +2 :               0.00000101807776
              2 vec=     2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003435118020
                2s
                   +0 :               0.00006833246103
                3s
                   +0 :              -0.00016404195488
                2p
                   -1 :              -0.00010392165664
                   +0 :               0.00022742887049
                   +1 :               0.00003436788681
                3p
                   -1 :              -0.00001343969214
                   +0 :              -0.00041655726723
                   +1 :              -0.00010173577191
                3d
                   -2 :              -0.00002375020161
                   -1 :              -0.00001578441870
                   +0 :              -0.00006908127469
                   +1 :              -0.00000918230296
                   +2 :              -0.00001879645225
              3 vec=    -5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00006062029723
                2s
                   +0 :              -0.00053576210255
                3s
                   +0 :               0.00004652232263
                2p
                   -1 :               0.00003963218055
                   +0 :              -0.00001559792987
                   +1 :               0.00010109570848
                3p
                   -1 :               0.00013538478236
                   +0 :               0.00023290637983
                   +1 :              -0.00011221007640
                3d
                   -2 :               0.00000301954245
                   -1 :              -0.00002877873270
                   +0 :              -0.00005085289752
                   +1 :              -0.00001815810829
                   +2 :              -0.00000196857818
              4 vec=    -5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00001195160976
                2s
                   +0 :              -0.00025137366028
                3s
                   +0 :              -0.00002268736929
                2p
                   -1 :               0.00030887369531
                   +0 :              -0.00015073520678
                   +1 :              -0.00025276223687
                3p
                   -1 :              -0.00008470350188
                   +0 :               0.00001962934613
                   +1 :               0.00011200841358
                3d
                   -2 :               0.00000867903997
                   -1 :               0.00000742337689
                   +0 :              -0.00003257669548
                   +1 :              -0.00000841592627
                   +2 :              -0.00001554898801
              5 vec=    -5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00009649233148
                2s
                   +0 :              -0.00097009931954
                3s
                   +0 :               0.00019938992842
                2p
                   -1 :              -0.00014640990385
                   +0 :               0.00050067671023
                   +1 :               0.00037187208195
                3p
                   -1 :               0.00011706674157
                   +0 :              -0.00008250501949
                   +1 :              -0.00018635006828
                3d
                   -2 :               0.00000282009183
                   -1 :               0.00000239422945
                   +0 :              -0.00001760074779
                   +1 :              -0.00001961482395
                   +2 :              -0.00000117771480
              6 vec=    -5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001066529477
                2s
                   +0 :              -0.00020070923158
                3s
                   +0 :              -0.00003352889471
                2p
                   -1 :               0.00005724646584
                   +0 :               0.00000640024088
                   +1 :               0.00010736114877
                3p
                   -1 :              -0.00007590618838
                   +0 :              -0.00022107702094
                   +1 :               0.00000705041458
                3d
                   -2 :               0.00000986370002
                   -1 :              -0.00001358349332
                   +0 :              -0.00001463413126
                   +1 :               0.00002444923048
                   +2 :              -0.00001240722363
              7 vec=     2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000399023264
                2s
                   +0 :              -0.00000488918387
                3s
                   +0 :              -0.00000583105920
                2p
                   -1 :               0.00010277511878
                   +0 :              -0.00001469039774
                   +1 :               0.00004057810339
                3p
                   -1 :              -0.00008537226389
                   +0 :               0.00003085880118
                   +1 :              -0.00007242495814
                3d
                   -2 :               0.00000168374563
                   -1 :               0.00000072165572
                   +0 :              -0.00000250497688
                   +1 :               0.00000304194103
                   +2 :              -0.00000956183055
              8 vec=     2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006033849333
                2s
                   +0 :              -0.00050787317188
                3s
                   +0 :               0.00017574370133
                2p
                   -1 :               0.00030789660243
                   +0 :              -0.00040193671475
                   +1 :              -0.00009218534292
                3p
                   -1 :              -0.00018437833177
                   +0 :               0.00016886498127
                   +1 :               0.00005411394844
                3d
                   -2 :              -0.00000014051989
                   -1 :              -0.00000276405691
                   +0 :               0.00000473295457
                   +1 :               0.00001927196618
                   +2 :              -0.00001245698240
              9 vec=     2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000521621429
                2s
                   +0 :               0.00000745828429
                3s
                   +0 :               0.00002020744152
                2p
                   -1 :              -0.00006373844352
                   +0 :              -0.00002004280057
                   +1 :              -0.00002118865459
                3p
                   -1 :               0.00007337398837
                   +0 :               0.00000784653297
                   +1 :              -0.00002294925461
                3d
                   -2 :              -0.00000205421091
                   -1 :              -0.00000280232328
                   +0 :               0.00000036796644
                   +1 :               0.00000041173661
                   +2 :              -0.00000097858538
             10 vec=     2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000894458132
                2s
                   +0 :               0.00004749527152
                3s
                   +0 :              -0.00002903290611
                2p
                   -1 :              -0.00004711326332
                   +0 :               0.00001631644337
                   +1 :              -0.00002765013015
                3p
                   -1 :               0.00003427092501
                   +0 :               0.00002579407788
                   +1 :               0.00001103117337
                3d
                   -2 :              -0.00000034042442
                   -1 :              -0.00000139036978
                   +0 :              -0.00000333513883
                   +1 :              -0.00000022650726
                   +2 :               0.00000366165627
             11 vec=    10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001343490435
                2s
                   +0 :               0.00008432086611
                3s
                   +0 :              -0.00000639892940
                2p
                   -1 :              -0.00008199994617
                   +0 :              -0.00006903704234
                   +1 :              -0.00016759836216
                3p
                   -1 :               0.00001397548964
                   +0 :               0.00001424583616
                   +1 :               0.00014985602229
                3d
                   -2 :               0.00000456177616
                   -1 :              -0.00000471208805
                   +0 :               0.00000794241314
                   +1 :              -0.00000960567323
                   +2 :               0.00000272379613
             12 vec=    10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001140596096
                2s
                   +0 :              -0.00006872068875
                3s
                   +0 :               0.00005048612562
                2p
                   -1 :              -0.00013745940042
                   +0 :              -0.00008814349059
                   +1 :               0.00007661477692
                3p
                   -1 :               0.00008096954985
                   +0 :               0.00012505470251
                   +1 :              -0.00004499010850
                3d
                   -2 :              -0.00000459239125
                   -1 :               0.00001030816538
                   +0 :               0.00002014399851
                   +1 :              -0.00000106283788
                   +2 :              -0.00000689648798
             13 vec=    10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002321899349
                2s
                   +0 :               0.00025269744210
                3s
                   +0 :              -0.00004029246104
                2p
                   -1 :               0.00014993007606
                   +0 :              -0.00008839588745
                   +1 :               0.00016327288970
                3p
                   -1 :              -0.00008986725042
                   +0 :              -0.00001016440012
                   +1 :              -0.00005092364883
                3d
                   -2 :               0.00000058789782
                   -1 :               0.00000479175688
                   +0 :              -0.00000036899751
                   +1 :               0.00000043961725
                   +2 :               0.00000391960720
             14 vec=    10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000698455594
                2s
                   +0 :               0.00001867766645
                3s
                   +0 :               0.00003645733611
                2p
                   -1 :               0.00006093668208
                   +0 :               0.00001410435334
                   +1 :               0.00011215424598
                3p
                   -1 :              -0.00003872733254
                   +0 :               0.00006149814170
                   +1 :              -0.00002491528814
                3d
                   -2 :              -0.00000403770025
                   -1 :               0.00000292418126
                   +0 :               0.00000574886362
                   +1 :              -0.00000176093674
                   +2 :               0.00000387542048
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 28)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00146208800266
                2s
                   +0 :               0.00220340426288
                3s
                   +0 :               0.00626657367779
                2p
                   -1 :               0.00863598974611
                   +0 :               0.01461933487537
                   +1 :               0.86882037128085
                3p
                   -1 :              -0.00393379747633
                   +0 :              -0.00525836340282
                   +1 :              -0.03864873121433
                3d
                   -2 :              -0.00378317047095
                   -1 :               0.00084745558466
                   +0 :               0.00133486966360
                   +1 :               0.00234800670418
                   +2 :               0.00071730792414
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00009965091596
                2s
                   +0 :               0.00113517475160
                3s
                   +0 :              -0.00074360449053
                2p
                   -1 :              -0.00103371711682
                   +0 :              -0.00017536250617
                   +1 :              -0.00048095469797
                3p
                   -1 :               0.00102119657173
                   +0 :               0.00015061915429
                   +1 :               0.00111715079665
                3d
                   -2 :              -0.00010612486686
                   -1 :               0.00011555267792
                   +0 :              -0.00014520598846
                   +1 :              -0.00011535946861
                   +2 :              -0.00020826397283
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00047030216802
                2s
                   +0 :              -0.00160202862318
                3s
                   +0 :               0.00020756546888
                2p
                   -1 :              -0.00161044484428
                   +0 :               0.00005192342938
                   +1 :               0.00067549837390
                3p
                   -1 :              -0.00058880371224
                   +0 :               0.00003355698348
                   +1 :              -0.00002273803112
                3d
                   -2 :              -0.00001391742429
                   -1 :              -0.00020645426277
                   +0 :               0.00010470054617
                   +1 :              -0.00001815124423
                   +2 :               0.00029064503025
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027689461202
                2s
                   +0 :              -0.00134265590299
                3s
                   +0 :               0.00116771355465
                2p
                   -1 :              -0.00002106122363
                   +0 :              -0.00059133993174
                   +1 :              -0.00244839860606
                3p
                   -1 :              -0.00125374020285
                   +0 :               0.00043703668397
                   +1 :               0.00019625639335
                3d
                   -2 :               0.00023017999028
                   -1 :               0.00000834709867
                   +0 :              -0.00006862274033
                   +1 :               0.00005132447836
                   +2 :              -0.00010987833285
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00025833880622
                2s
                   +0 :               0.00187661460115
                3s
                   +0 :              -0.00098217205546
                2p
                   -1 :               0.00215578013228
                   +0 :               0.00009696149547
                   +1 :              -0.00286602823352
                3p
                   -1 :              -0.00160042361585
                   +0 :              -0.00003244807475
                   +1 :               0.00090812236469
                3d
                   -2 :               0.00001224492299
                   -1 :              -0.00005072623487
                   +0 :               0.00001513783450
                   +1 :               0.00000763272576
                   +2 :               0.00004100174342
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00012161434834
                2s
                   +0 :               0.00100601520756
                3s
                   +0 :               0.00011176487422
                2p
                   -1 :              -0.00375627765406
                   +0 :              -0.00034755374269
                   +1 :               0.00210074553416
                3p
                   -1 :               0.00111770637711
                   +0 :               0.00032912995677
                   +1 :              -0.00107842502981
                3d
                   -2 :               0.00009074090116
                   -1 :               0.00000782198878
                   +0 :               0.00004255236420
                   +1 :               0.00003387079146
                   +2 :              -0.00013094763862
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00009207900070
                2s
                   +0 :               0.00059515191984
                3s
                   +0 :               0.00015578094684
                2p
                   -1 :               0.00117304988953
                   +0 :               0.00147800017237
                   +1 :               0.00041868373595
                3p
                   -1 :               0.00112662904570
                   +0 :              -0.00137890008701
                   +1 :               0.00018943339873
                3d
                   -2 :               0.00011056857601
                   -1 :               0.00001612277316
                   +0 :              -0.00015747946501
                   +1 :              -0.00001499984923
                   +2 :              -0.00030272063567
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000933842006
                2s
                   +0 :              -0.00068156396897
                3s
                   +0 :              -0.00005528133986
                2p
                   -1 :              -0.00020869440339
                   +0 :              -0.00030456805216
                   +1 :               0.00121648993356
                3p
                   -1 :               0.00013083779298
                   +0 :               0.00030690519906
                   +1 :              -0.00029585853574
                3d
                   -2 :              -0.00003052875057
                   -1 :              -0.00002088832273
                   +0 :              -0.00000365293326
                   +1 :              -0.00004635416063
                   +2 :              -0.00002381816438
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005477558638
                2s
                   +0 :              -0.00069694381898
                3s
                   +0 :               0.00009596133778
                2p
                   -1 :               0.00099116666154
                   +0 :               0.00006815011804
                   +1 :               0.00013826092542
                3p
                   -1 :              -0.00028613431702
                   +0 :              -0.00004032649677
                   +1 :               0.00003069989790
                3d
                   -2 :              -0.00002974293310
                   -1 :               0.00001152243020
                   +0 :              -0.00000071720814
                   +1 :              -0.00000580045219
                   +2 :               0.00000958534465
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002084119371
                2s
                   +0 :              -0.00044874908281
                3s
                   +0 :               0.00002246446509
                2p
                   -1 :              -0.00041900528042
                   +0 :               0.00005238695376
                   +1 :               0.00034391131414
                3p
                   -1 :               0.00001897956950
                   +0 :              -0.00006078783480
                   +1 :              -0.00010240565738
                3d
                   -2 :               0.00001726024586
                   -1 :              -0.00001834353801
                   +0 :               0.00001653273336
                   +1 :              -0.00000035146744
                   +2 :               0.00001598206118
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00008531751481
                2s
                   +0 :               0.00085256171147
                3s
                   +0 :              -0.00019750214932
                2p
                   -1 :              -0.00075507879199
                   +0 :               0.00017412864598
                   +1 :               0.00034014580713
                3p
                   -1 :               0.00020252826825
                   +0 :              -0.00016519022298
                   +1 :              -0.00004798310045
                3d
                   -2 :              -0.00002485509228
                   -1 :               0.00000637453781
                   +0 :              -0.00001176248226
                   +1 :               0.00000911283973
                   +2 :              -0.00000091171925
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001245268997
                2s
                   +0 :               0.00029817229582
                3s
                   +0 :               0.00003177139221
                2p
                   -1 :               0.00023562863356
                   +0 :               0.00004679955516
                   +1 :               0.00012335189314
                3p
                   -1 :               0.00006122745823
                   +0 :              -0.00003585907338
                   +1 :               0.00003649705643
                3d
                   -2 :               0.00001853360237
                   -1 :              -0.00000278447282
                   +0 :              -0.00001379078248
                   +1 :               0.00000424882230
                   +2 :              -0.00000432126875
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00012740740487
                2s
                   +0 :               0.00139230227240
                3s
                   +0 :              -0.00023797201470
                2p
                   -1 :              -0.00002314959290
                   +0 :              -0.00015626855398
                   +1 :               0.00128542867128
                3p
                   -1 :              -0.00001490764407
                   +0 :               0.00015602614053
                   +1 :              -0.00017704225301
                3d
                   -2 :              -0.00001619921774
                   -1 :               0.00002538981544
                   +0 :              -0.00003609244682
                   +1 :               0.00000875052495
                   +2 :               0.00005852610651
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001279474803
                2s
                   +0 :              -0.00015064343053
                3s
                   +0 :               0.00002775638887
                2p
                   -1 :               0.00009918681668
                   +0 :               0.00004438297441
                   +1 :               0.00014196988175
                3p
                   -1 :              -0.00001221737538
                   +0 :              -0.00002816410033
                   +1 :              -0.00003508168908
                3d
                   -2 :               0.00000038987818
                   -1 :              -0.00000271548424
                   +0 :               0.00000360067326
                   +1 :               0.00000542587584
                   +2 :               0.00000462664058
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001159188398
                2s
                   +0 :              -0.00010678251670
                3s
                   +0 :               0.00000483044664
                2p
                   -1 :              -0.00001311258850
                   +0 :              -0.00001281023583
                   +1 :               0.00004196452302
                3p
                   -1 :              -0.00001618460330
                   +0 :               0.00000173643119
                   +1 :               0.00003211241228
                3d
                   -2 :              -0.00000349060763
                   -1 :              -0.00000090757483
                   +0 :              -0.00000150581427
                   +1 :              -0.00000332000736
                   +2 :              -0.00000080205478
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000477118101
                2s
                   +0 :              -0.00002333505482
                3s
                   +0 :               0.00001100497482
                2p
                   -1 :               0.00004348357479
                   +0 :              -0.00004196213023
                   +1 :              -0.00007436315396
                3p
                   -1 :              -0.00003829657082
                   +0 :               0.00003854259528
                   +1 :               0.00002814285875
                3d
                   -2 :               0.00000121015670
                   -1 :              -0.00000214661241
                   +0 :               0.00000223285910
                   +1 :               0.00000120951787
                   +2 :               0.00000080355992
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000586664086
                2s
                   +0 :              -0.00004270812610
                3s
                   +0 :               0.00002257729089
                2p
                   -1 :              -0.00006495392178
                   +0 :               0.00002241302086
                   +1 :              -0.00003599290113
                3p
                   -1 :               0.00004819556905
                   +0 :              -0.00001764510065
                   +1 :              -0.00000285206738
                3d
                   -2 :              -0.00000370499724
                   -1 :              -0.00000167278523
                   +0 :               0.00000001810442
                   +1 :              -0.00000103739460
                   +2 :              -0.00000300572860
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000738533800
                2s
                   +0 :               0.00008669943721
                3s
                   +0 :              -0.00000450245735
                2p
                   -1 :              -0.00004066001286
                   +0 :              -0.00000813739972
                   +1 :               0.00008733757938
                3p
                   -1 :               0.00000737760533
                   +0 :               0.00001019179879
                   +1 :              -0.00000151237639
                3d
                   -2 :               0.00000140160855
                   -1 :              -0.00000123726615
                   +0 :               0.00000029501220
                   +1 :               0.00000006537079
                   +2 :               0.00000343850375
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001919735740
                2s
                   +0 :               0.00021196831759
                3s
                   +0 :              -0.00004764661284
                2p
                   -1 :               0.00008162379925
                   +0 :               0.00001387871324
                   +1 :               0.00012600504787
                3p
                   -1 :              -0.00000099481304
                   +0 :               0.00000245982760
                   +1 :              -0.00001369773837
                3d
                   -2 :              -0.00000011947528
                   -1 :               0.00000573343348
                   +0 :              -0.00000125460999
                   +1 :               0.00000073393996
                   +2 :              -0.00000184018011
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 29)  npairs=  12
              1 vec=     4.768202      0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00496296078218
                2s
                   +0 :               0.11418345987690
                3s
                   +0 :              -0.01179074747190
                2p
                   -1 :               0.00759272202586
                   +0 :               0.00403515600431
                   +1 :               0.07047053096485
                3p
                   -1 :              -0.00378282485003
                   +0 :              -0.00401658682259
                   +1 :              -0.00981441740995
                3d
                   -2 :              -0.00122454111682
                   -1 :              -0.00104029247504
                   +0 :              -0.00239397549273
                   +1 :              -0.00017001894269
                   +2 :               0.00358443479184
              2 vec=    -3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00015697489644
                2s
                   +0 :              -0.02675341325984
                3s
                   +0 :              -0.00466250420527
                2p
                   -1 :               0.02133507351047
                   +0 :               0.00336557374432
                   +1 :               0.00809047983338
                3p
                   -1 :               0.00442143946653
                   +0 :              -0.00358237177298
                   +1 :               0.00210402130892
                3d
                   -2 :              -0.00189307299255
                   -1 :               0.00068712130642
                   +0 :               0.00127048565607
                   +1 :              -0.00053401662215
                   +2 :               0.00149083252824
              3 vec=    -3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00147009015566
                2s
                   +0 :              -0.02973273856994
                3s
                   +0 :               0.00269105602716
                2p
                   -1 :              -0.02107431475052
                   +0 :               0.00229148612499
                   +1 :               0.00960597845126
                3p
                   -1 :               0.00249117623719
                   +0 :              -0.00169007253044
                   +1 :              -0.00039566863126
                3d
                   -2 :               0.00084015874331
                   -1 :               0.00033667307319
                   +0 :               0.00075553879617
                   +1 :              -0.00027341753943
                   +2 :               0.00114025537123
              4 vec=     4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00023925439585
                2s
                   +0 :               0.00268766812889
                3s
                   +0 :              -0.00004991239323
                2p
                   -1 :              -0.00393677275188
                   +0 :              -0.00012894073976
                   +1 :               0.00104118632559
                3p
                   -1 :              -0.00010068119631
                   +0 :               0.00025661269073
                   +1 :               0.00015811204554
                3d
                   -2 :              -0.00025516467273
                   -1 :              -0.00008610433126
                   +0 :              -0.00018184403948
                   +1 :               0.00002434120519
                   +2 :              -0.00013813492192
              5 vec=     4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00023329157940
                2s
                   +0 :               0.00254430165859
                3s
                   +0 :              -0.00045954774323
                2p
                   -1 :               0.00259839322525
                   +0 :              -0.00029775683369
                   +1 :               0.00166682685985
                3p
                   -1 :              -0.00056482196216
                   +0 :               0.00014447319073
                   +1 :              -0.00069492754542
                3d
                   -2 :               0.00001958683282
                   -1 :              -0.00006530882594
                   +0 :               0.00004273910315
                   +1 :               0.00002503047120
                   +2 :              -0.00006233813357
              6 vec=   -10.792123     -0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00099104437304
                2s
                   +0 :              -0.00817787584721
                3s
                   +0 :               0.00249427079079
                2p
                   -1 :               0.00005830316331
                   +0 :              -0.00158389966343
                   +1 :               0.00780610367660
                3p
                   -1 :               0.00011169833232
                   +0 :               0.00153425773334
                   +1 :              -0.00265801485147
                3d
                   -2 :              -0.00005276726098
                   -1 :               0.00004619318202
                   +0 :               0.00006172824364
                   +1 :              -0.00008655240543
                   +2 :              -0.00006598294610
              7 vec=    12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00000816850174
                2s
                   +0 :               0.00054633576092
                3s
                   +0 :               0.00006844737409
                2p
                   -1 :              -0.00036077265981
                   +0 :              -0.00012556286895
                   +1 :              -0.00024201974491
                3p
                   -1 :               0.00013876885266
                   +0 :               0.00014931580205
                   +1 :               0.00033110099042
                3d
                   -2 :               0.00003118387289
                   -1 :              -0.00000705493705
                   +0 :              -0.00002616491006
                   +1 :              -0.00000014569530
                   +2 :               0.00001107572201
              8 vec=    12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00007003031038
                2s
                   +0 :               0.00097261268059
                3s
                   +0 :              -0.00000402932636
                2p
                   -1 :               0.00037438446867
                   +0 :               0.00004066762426
                   +1 :              -0.00031264856215
                3p
                   -1 :               0.00012691459762
                   +0 :              -0.00005989555926
                   +1 :               0.00033886822733
                3d
                   -2 :               0.00000362504123
                   -1 :              -0.00001851301301
                   +0 :              -0.00002150061252
                   +1 :              -0.00000315657514
                   +2 :              -0.00003767970189
              9 vec=    -3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005022815551
                2s
                   +0 :               0.00037660386484
                3s
                   +0 :              -0.00013904734926
                2p
                   -1 :              -0.00033831690434
                   +0 :              -0.00010423702789
                   +1 :              -0.00056566089991
                3p
                   -1 :               0.00019230019999
                   +0 :               0.00010060385669
                   +1 :               0.00011567973747
                3d
                   -2 :               0.00004094428426
                   -1 :               0.00000125936735
                   +0 :               0.00003213286525
                   +1 :               0.00000402600634
                   +2 :               0.00000160743074
             10 vec=    -3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00001196581911
                2s
                   +0 :              -0.00015300569503
                3s
                   +0 :               0.00004569046344
                2p
                   -1 :              -0.00008385474027
                   +0 :              -0.00007435409521
                   +1 :              -0.00020375513660
                3p
                   -1 :               0.00006351602326
                   +0 :               0.00004466671689
                   +1 :              -0.00013369247561
                3d
                   -2 :              -0.00004963907178
                   -1 :              -0.00000053071721
                   +0 :              -0.00001380833752
                   +1 :               0.00001554616036
                   +2 :              -0.00000677271446
             11 vec=   -10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00008885076249
                2s
                   +0 :              -0.00086591497403
                3s
                   +0 :               0.00022831872710
                2p
                   -1 :              -0.00003612584816
                   +0 :               0.00011536522803
                   +1 :               0.00068226280385
                3p
                   -1 :               0.00002732296367
                   +0 :              -0.00008856437545
                   +1 :              -0.00033472351618
                3d
                   -2 :               0.00002269372058
                   -1 :              -0.00000569180807
                   +0 :              -0.00002803754386
                   +1 :               0.00000663408976
                   +2 :               0.00000942909303
             12 vec=   -10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00005081266939
                2s
                   +0 :              -0.00071092548658
                3s
                   +0 :               0.00012154708870
                2p
                   -1 :              -0.00029827161383
                   +0 :               0.00006314524035
                   +1 :               0.00031933237307
                3p
                   -1 :              -0.00000531549260
                   +0 :              -0.00005371479657
                   +1 :              -0.00001755462956
                3d
                   -2 :               0.00000842737009
                   -1 :               0.00000776845998
                   +0 :               0.00000328061856
                   +1 :               0.00000375814348
                   +2 :               0.00001290544517
WF             site_B          number of pairs
WF( 53)=[O_16_2px]  to site O ( 30)  npairs=  12
              1 vec=     2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00165717290517
                2s
                   +0 :               0.05510590001261
                3s
                   +0 :              -0.00425302197026
                2p
                   -1 :              -0.04177491470148
                   +0 :              -0.00369472672990
                   +1 :               0.00826101825252
                3p
                   -1 :               0.00755320387920
                   +0 :               0.00192814844857
                   +1 :              -0.00173756356753
                3d
                   -2 :              -0.00128102393075
                   -1 :              -0.00038044205767
                   +0 :              -0.00057913888486
                   +1 :              -0.00049106682834
                   +2 :              -0.00124211892528
              2 vec=    -5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00069985580449
                2s
                   +0 :              -0.04683815767697
                3s
                   +0 :              -0.00285973161769
                2p
                   -1 :              -0.00326418843490
                   +0 :               0.00402856284457
                   +1 :               0.03377761750807
                3p
                   -1 :              -0.00310188445137
                   +0 :              -0.00432838366017
                   +1 :               0.00673853795241
                3d
                   -2 :               0.00039375826589
                   -1 :               0.00001413173082
                   +0 :               0.00192332974759
                   +1 :               0.00096774046194
                   +2 :              -0.00350457734678
              3 vec=     2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00210050937912
                2s
                   +0 :               0.02785464877951
                3s
                   +0 :              -0.00541656146802
                2p
                   -1 :               0.01773660800083
                   +0 :              -0.00053385435103
                   +1 :               0.00261813301441
                3p
                   -1 :              -0.00331593257703
                   +0 :               0.00022737179970
                   +1 :               0.00087494910566
                3d
                   -2 :               0.00044876954191
                   -1 :              -0.00007114362906
                   +0 :              -0.00039539733764
                   +1 :              -0.00041470366194
                   +2 :              -0.00070940009664
              4 vec=    -5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00072320549542
                2s
                   +0 :              -0.00585918866776
                3s
                   +0 :               0.00155972704783
                2p
                   -1 :               0.00576256506394
                   +0 :               0.00029668409721
                   +1 :               0.00060709973569
                3p
                   -1 :              -0.00129757400378
                   +0 :              -0.00022035449688
                   +1 :               0.00116060040223
                3d
                   -2 :              -0.00035325420273
                   -1 :               0.00007557223497
                   +0 :               0.00038099876862
                   +1 :               0.00011255792620
                   +2 :               0.00005545432232
              5 vec=    10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00050638610076
                2s
                   +0 :               0.00594973564415
                3s
                   +0 :              -0.00040147270146
                2p
                   -1 :               0.00143158079091
                   +0 :              -0.00035733267321
                   +1 :               0.00835503978388
                3p
                   -1 :              -0.00006649132673
                   +0 :              -0.00006516357364
                   +1 :              -0.00074116648552
                3d
                   -2 :               0.00002586435224
                   -1 :              -0.00000956645840
                   +0 :              -0.00019802591216
                   +1 :              -0.00011459358475
                   +2 :               0.00043152056249
              6 vec=    -5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00031115320087
                2s
                   +0 :              -0.00315854788873
                3s
                   +0 :               0.00060040070384
                2p
                   -1 :              -0.00333485182057
                   +0 :               0.00035792726347
                   +1 :               0.00075379665208
                3p
                   -1 :               0.00083050640651
                   +0 :              -0.00035209645049
                   +1 :              -0.00004850649534
                3d
                   -2 :               0.00006948694248
                   -1 :               0.00001671081662
                   +0 :               0.00006578733031
                   +1 :               0.00007667342761
                   +2 :               0.00009966970074
              7 vec=     2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00008099457914
                2s
                   +0 :               0.00064057239246
                3s
                   +0 :              -0.00013089078165
                2p
                   -1 :               0.00009541038207
                   +0 :              -0.00011720728665
                   +1 :              -0.00035631356024
                3p
                   -1 :              -0.00016200941619
                   +0 :               0.00011905380357
                   +1 :               0.00009032150793
                3d
                   -2 :               0.00001510269247
                   -1 :              -0.00000960397598
                   +0 :              -0.00003108203397
                   +1 :              -0.00001503051033
                   +2 :               0.00001047427957
              8 vec=    10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00003469129799
                2s
                   +0 :               0.00085279621638
                3s
                   +0 :               0.00000011693873
                2p
                   -1 :               0.00003102401764
                   +0 :               0.00004342201627
                   +1 :               0.00037039582645
                3p
                   -1 :              -0.00035843058369
                   +0 :              -0.00006452943144
                   +1 :              -0.00003479030731
                3d
                   -2 :              -0.00003413529796
                   -1 :              -0.00000318798347
                   +0 :              -0.00002591071120
                   +1 :               0.00000008596815
                   +2 :              -0.00003745641729
              9 vec=   -13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00006972056392
                2s
                   +0 :              -0.00092038270509
                3s
                   +0 :               0.00019739554775
                2p
                   -1 :               0.00075077853725
                   +0 :               0.00000959895578
                   +1 :               0.00025962754097
                3p
                   -1 :              -0.00025671402116
                   +0 :              -0.00003610760561
                   +1 :              -0.00003422193006
                3d
                   -2 :              -0.00000313020701
                   -1 :               0.00002397493505
                   +0 :               0.00001232240692
                   +1 :               0.00000081964225
                   +2 :               0.00000955670568
             10 vec=    10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00006113387703
                2s
                   +0 :               0.00078657804611
                3s
                   +0 :              -0.00009280761671
                2p
                   -1 :               0.00086168504929
                   +0 :               0.00000293250959
                   +1 :               0.00024538715213
                3p
                   -1 :              -0.00036328489091
                   +0 :              -0.00001322222116
                   +1 :               0.00007115598612
                3d
                   -2 :              -0.00000254686912
                   -1 :               0.00000325778039
                   +0 :              -0.00000859325089
                   +1 :              -0.00001316045224
                   +2 :               0.00002018596934
             11 vec=   -13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000548712839
                2s
                   +0 :              -0.00032752306012
                3s
                   +0 :               0.00002794214341
                2p
                   -1 :               0.00004322598126
                   +0 :              -0.00023897792143
                   +1 :               0.00002782599061
                3p
                   -1 :              -0.00010801179710
                   +0 :               0.00020251428776
                   +1 :               0.00005267110404
                3d
                   -2 :              -0.00001174086405
                   -1 :               0.00000400113040
                   +0 :               0.00000856109127
                   +1 :              -0.00000154720383
                   +2 :               0.00001207656721
             12 vec=     2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000517352144
                2s
                   +0 :               0.00004463213642
                3s
                   +0 :               0.00004956751185
                2p
                   -1 :               0.00005303426729
                   +0 :               0.00013471934697
                   +1 :              -0.00015329797228
                3p
                   -1 :              -0.00002175684597
                   +0 :              -0.00011712790437
                   +1 :              -0.00001005742201
                3d
                   -2 :              -0.00000482889438
                   -1 :              -0.00000287636909
                   +0 :              -0.00000898778228
                   +1 :              -0.00001199385742
                   +2 :               0.00000671518415
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al(  1)  npairs=  14
              1 vec=     2.802674     -1.376461     -1.580534   |vec|=    3.499674
                2s
                   +0 :              -0.02110969828521
                2p
                   -1 :               0.00299602717502
                   +0 :               0.01256093785868
                   +1 :              -0.02004729456784
                3s
                   +0 :              -0.03490443938719
                4s
                   +0 :              -0.01150369273685
                3p
                   -1 :              -0.02856009688515
                   +0 :               0.02430011320822
                   +1 :              -0.03747665192595
                4p
                   -1 :               0.00624483370073
                   +0 :               0.00602971736361
                   +1 :              -0.01034239836659
                3d
                   -2 :              -0.00744780209924
                   -1 :               0.00304125038261
                   +0 :              -0.00375122463051
                   +1 :               0.02986477508572
                   +2 :              -0.03264903032439
              2 vec=    -4.977489      3.115418     -1.580534   |vec|=    6.081062
                2s
                   +0 :              -0.00141784002510
                2p
                   -1 :               0.00057473439855
                   +0 :               0.00141382416702
                   +1 :               0.00069411405417
                3s
                   +0 :              -0.00147000352061
                4s
                   +0 :              -0.00178750523161
                3p
                   -1 :              -0.00419840827090
                   +0 :              -0.00799556908320
                   +1 :              -0.00341901439400
                4p
                   -1 :               0.00184127232647
                   +0 :               0.00284033038564
                   +1 :               0.00160880898112
                3d
                   -2 :              -0.00383915168301
                   -1 :              -0.00137267520658
                   +0 :              -0.00150141318743
                   +1 :               0.00192735167900
                   +2 :               0.00111423256525
              3 vec=    -4.977489     -5.868340     -1.580534   |vec|=    7.855629
                2s
                   +0 :               0.00005091001263
                2p
                   -1 :              -0.00032558265580
                   +0 :              -0.00050764234664
                   +1 :              -0.00033868488358
                3s
                   +0 :              -0.01519809913688
                4s
                   +0 :               0.00028009010595
                3p
                   -1 :               0.00198647639062
                   +0 :               0.01158699526604
                   +1 :               0.00966878761820
                4p
                   -1 :              -0.00018662341198
                   +0 :              -0.00086848453955
                   +1 :               0.00011640364124
                3d
                   -2 :              -0.00084889292597
                   -1 :              -0.00228587086120
                   +0 :              -0.00081884329514
                   +1 :              -0.00435174916094
                   +2 :              -0.00288438510178
              4 vec=     2.802674      7.607297     -1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00068975018564
                2p
                   -1 :               0.00021947797185
                   +0 :               0.00050987114309
                   +1 :               0.00126168219170
                3s
                   +0 :               0.00849822994714
                4s
                   +0 :              -0.00165251173603
                3p
                   -1 :               0.00112286184215
                   +0 :              -0.00745988194466
                   +1 :              -0.01133336712692
                4p
                   -1 :              -0.00020783072863
                   +0 :               0.00116614440536
                   +1 :               0.00176226312936
                3d
                   -2 :              -0.00388159379188
                   -1 :              -0.00209529875902
                   +0 :               0.00139807929669
                   +1 :               0.00299053865780
                   +2 :               0.00110148413509
              5 vec=     2.802674    -10.360219     -1.580534   |vec|=   10.848374
                2s
                   +0 :               0.00041018152968
                2p
                   -1 :              -0.00017302835072
                   +0 :               0.00001565540179
                   +1 :               0.00043197503335
                3s
                   +0 :              -0.00254972824722
                4s
                   +0 :               0.00036465533503
                3p
                   -1 :               0.00122346757534
                   +0 :               0.00061530755701
                   +1 :              -0.00247556431778
                4p
                   -1 :              -0.00015877552213
                   +0 :              -0.00007214288982
                   +1 :               0.00045612774851
                3d
                   -2 :               0.00075767961745
                   -1 :              -0.00024783078819
                   +0 :               0.00025299110125
                   +1 :               0.00018773130201
                   +2 :              -0.00007472230066
              6 vec=    10.582837      3.115418     -1.580534   |vec|=   11.144521
                2s
                   +0 :              -0.00052053853937
                2p
                   -1 :              -0.00006518305192
                   +0 :              -0.00013832541722
                   +1 :              -0.00009363967835
                3s
                   +0 :               0.00315587237168
                4s
                   +0 :              -0.00028681375087
                3p
                   -1 :              -0.00012034165668
                   +0 :              -0.00010445433850
                   +1 :               0.00154847176809
                4p
                   -1 :              -0.00010820488835
                   +0 :              -0.00004218926507
                   +1 :               0.00004131508680
                3d
                   -2 :              -0.00016252672779
                   -1 :               0.00049072501036
                   +0 :               0.00019988998528
                   +1 :              -0.00016878548628
                   +2 :               0.00048472781728
              7 vec=    10.582837     -5.868340     -1.580534   |vec|=   12.203767
                2s
                   +0 :              -0.00010631898279
                2p
                   -1 :               0.00014869214156
                   +0 :               0.00013019553731
                   +1 :              -0.00001116369154
                3s
                   +0 :              -0.00027244194844
                4s
                   +0 :              -0.00000039781016
                3p
                   -1 :              -0.00029932117122
                   +0 :              -0.00029816543532
                   +1 :              -0.00030235256932
                4p
                   -1 :               0.00021807055153
                   +0 :               0.00015362059671
                   +1 :               0.00013370301686
                3d
                   -2 :               0.00008610362064
                   -1 :              -0.00006238300158
                   +0 :              -0.00000665598074
                   +1 :              -0.00008142148088
                   +2 :               0.00015142716553
              8 vec=   -12.757651     -1.376461     -1.580534   |vec|=   12.928666
                2s
                   +0 :               0.00019361075460
                2p
                   -1 :               0.00003519081610
                   +0 :              -0.00004018410914
                   +1 :               0.00001007297497
                3s
                   +0 :              -0.00054860712628
                4s
                   +0 :               0.00015393408054
                3p
                   -1 :              -0.00008871953001
                   +0 :               0.00032623901852
                   +1 :              -0.00011909986818
                4p
                   -1 :               0.00004277140424
                   +0 :              -0.00008070256915
                   +1 :               0.00005774538107
                3d
                   -2 :               0.00009712511242
                   -1 :              -0.00009579729450
                   +0 :               0.00005826074459
                   +1 :              -0.00006989905167
                   +2 :               0.00011007301068
              9 vec=    -4.977489     12.099176     -1.580534   |vec|=   13.178146
                2s
                   +0 :              -0.00011535897420
                2p
                   -1 :               0.00009548919577
                   +0 :               0.00014459372333
                   +1 :               0.00013320671711
                3s
                   +0 :               0.00260985094270
                4s
                   +0 :              -0.00000714113301
                3p
                   -1 :               0.00120228886487
                   +0 :              -0.00258951178849
                   +1 :              -0.00006985597453
                4p
                   -1 :               0.00019858231929
                   +0 :               0.00042724572020
                   +1 :               0.00005581930379
                3d
                   -2 :               0.00018987683339
                   -1 :              -0.00106459010931
                   +0 :               0.00024420846202
                   +1 :               0.00000696952900
                   +2 :              -0.00035654501264
             10 vec=   -12.757651      7.607297     -1.580534   |vec|=   14.937427
                2s
                   +0 :              -0.00004303463288
                2p
                   -1 :               0.00001367261977
                   +0 :              -0.00001330987751
                   +1 :              -0.00002789441671
                3s
                   +0 :               0.00021403379311
                4s
                   +0 :               0.00001638068516
                3p
                   -1 :              -0.00014686305406
                   +0 :              -0.00001032418391
                   +1 :               0.00015352560263
                4p
                   -1 :               0.00000699225549
                   +0 :              -0.00004035066058
                   +1 :              -0.00009358706801
                3d
                   -2 :               0.00004611149439
                   -1 :               0.00010296803391
                   +0 :               0.00004006247527
                   +1 :              -0.00000452595558
                   +2 :              -0.00006018762615
             11 vec=    -4.977489    -14.852098     -1.580534   |vec|=   15.743516
                2s
                   +0 :               0.00012876992632
                2p
                   -1 :              -0.00006478218836
                   +0 :              -0.00002228727460
                   +1 :              -0.00000946256565
                3s
                   +0 :              -0.00047499744554
                4s
                   +0 :               0.00019224613278
                3p
                   -1 :               0.00040614535358
                   +0 :               0.00017256187920
                   +1 :               0.00001697707207
                4p
                   -1 :              -0.00011070573007
                   +0 :              -0.00004803833499
                   +1 :               0.00000521798396
                3d
                   -2 :               0.00000481923775
                   -1 :              -0.00004169742880
                   +0 :               0.00006054920123
                   +1 :              -0.00000448189139
                   +2 :               0.00012104372997
             12 vec=    10.582837     12.099176     -1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00003621408471
                2p
                   -1 :              -0.00000915722414
                   +0 :              -0.00000849576620
                   +1 :               0.00002386017382
                3s
                   +0 :              -0.00000743640026
                4s
                   +0 :               0.00008905364861
                3p
                   -1 :              -0.00010326576616
                   +0 :               0.00005512113040
                   +1 :              -0.00023198420451
                4p
                   -1 :               0.00006900087376
                   +0 :              -0.00004035435596
                   +1 :               0.00013473355053
                3d
                   -2 :               0.00001869892745
                   -1 :              -0.00000919309938
                   +0 :              -0.00005292458371
                   +1 :              -0.00001503484841
                   +2 :              -0.00006190608036
             13 vec=   -12.757651    -10.360219     -1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00000073618833
                2p
                   -1 :              -0.00000222338848
                   +0 :              -0.00002711076804
                   +1 :              -0.00000663761399
                3s
                   +0 :               0.00008729224157
                4s
                   +0 :              -0.00000626042648
                3p
                   -1 :              -0.00004029034381
                   +0 :               0.00010209311774
                   +1 :              -0.00006211947892
                4p
                   -1 :               0.00000108928814
                   +0 :              -0.00002404085591
                   +1 :              -0.00000756344439
                3d
                   -2 :               0.00000092957233
                   -1 :              -0.00000009489460
                   +0 :               0.00000080454704
                   +1 :              -0.00000372752000
                   +2 :               0.00001388338729
             14 vec=     2.802674     16.591055     -1.580534   |vec|=   16.900182
                2s
                   +0 :               0.00000489710928
                2p
                   -1 :               0.00000136895603
                   +0 :              -0.00001064029122
                   +1 :               0.00000800194118
                3s
                   +0 :               0.00024917679743
                4s
                   +0 :              -0.00009338445256
                3p
                   -1 :               0.00015763623083
                   +0 :              -0.00008958332053
                   +1 :              -0.00003547528813
                4p
                   -1 :              -0.00006012872436
                   +0 :               0.00001204679426
                   +1 :               0.00002220239180
                3d
                   -2 :              -0.00002265773100
                   -1 :              -0.00004449921911
                   +0 :               0.00000575131777
                   +1 :               0.00001355521506
                   +2 :              -0.00000337044144
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al(  2)  npairs=  14
              1 vec=     2.802674     -1.376461      5.671791   |vec|=    6.474477
                2s
                   +0 :               0.00139131847808
                2p
                   -1 :               0.00059031316096
                   +0 :               0.00124002892192
                   +1 :               0.00067708212059
                3s
                   +0 :              -0.00436605589294
                4s
                   +0 :               0.00371167795125
                3p
                   -1 :              -0.00267272872204
                   +0 :              -0.00927944997232
                   +1 :              -0.00394819538127
                4p
                   -1 :               0.00011793890887
                   +0 :               0.00380636386095
                   +1 :               0.00149161675377
                3d
                   -2 :               0.00158955835570
                   -1 :               0.00232782423251
                   +0 :              -0.00196787042284
                   +1 :               0.00009944205833
                   +2 :               0.00002537871130
              2 vec=    -4.977489      3.115418      5.671791   |vec|=    8.163972
                2s
                   +0 :               0.00052333678348
                2p
                   -1 :              -0.00067553082757
                   +0 :               0.00024500350655
                   +1 :              -0.00040339375204
                3s
                   +0 :               0.00292321823774
                4s
                   +0 :              -0.00067515185651
                3p
                   -1 :               0.00619204396449
                   +0 :              -0.00256904860487
                   +1 :              -0.00006756320522
                4p
                   -1 :              -0.00113351336967
                   +0 :               0.00035316186653
                   +1 :              -0.00048494596245
                3d
                   -2 :              -0.00162602905819
                   -1 :               0.00038097174036
                   +0 :              -0.00148194097469
                   +1 :               0.00132536046562
                   +2 :              -0.00030241854328
              3 vec=    -4.977489     -5.868340      5.671791   |vec|=    9.559395
                2s
                   +0 :              -0.00075200719537
                2p
                   -1 :               0.00070410194438
                   +0 :              -0.00054976305539
                   +1 :              -0.00051579242562
                3s
                   +0 :               0.00179757178500
                4s
                   +0 :              -0.00049248882793
                3p
                   -1 :              -0.00331025442484
                   +0 :               0.00157955496750
                   +1 :               0.00241959711490
                4p
                   -1 :               0.00063647008948
                   +0 :              -0.00030482801224
                   +1 :              -0.00044673035105
                3d
                   -2 :              -0.00021051774406
                   -1 :              -0.00043366992180
                   +0 :              -0.00041628529796
                   +1 :               0.00034035949028
                   +2 :              -0.00034633820834
              4 vec=     2.802674      7.607297      5.671791   |vec|=    9.894198
                2s
                   +0 :               0.00217962635448
                2p
                   -1 :               0.00016492690490
                   +0 :              -0.00025650474882
                   +1 :               0.00184794778653
                3s
                   +0 :              -0.00583872626189
                4s
                   +0 :               0.00146120517626
                3p
                   -1 :              -0.00003640956783
                   +0 :               0.00269612015409
                   +1 :              -0.00835870916374
                4p
                   -1 :              -0.00016081415460
                   +0 :              -0.00142862072547
                   +1 :               0.00151615876269
                3d
                   -2 :              -0.00078018337424
                   -1 :               0.00063617717002
                   +0 :               0.00093004411585
                   +1 :              -0.00041849222619
                   +2 :              -0.00106932416947
              5 vec=     2.802674    -10.360219      5.671791   |vec|=   12.139125
                2s
                   +0 :              -0.00033027088146
                2p
                   -1 :               0.00029434436754
                   +0 :              -0.00015886762159
                   +1 :               0.00000059549567
                3s
                   +0 :               0.00088351925416
                4s
                   +0 :              -0.00052381088589
                3p
                   -1 :              -0.00137490840278
                   +0 :               0.00036775375349
                   +1 :               0.00024841619052
                4p
                   -1 :               0.00047061077450
                   +0 :              -0.00016592423222
                   +1 :              -0.00006513158051
                3d
                   -2 :              -0.00008714276497
                   -1 :              -0.00014507940280
                   +0 :              -0.00010165494332
                   +1 :              -0.00001486397744
                   +2 :              -0.00011476834199
              6 vec=    10.582837      3.115418      5.671791   |vec|=   12.404494
                2s
                   +0 :               0.00016412439919
                2p
                   -1 :               0.00014763499252
                   +0 :               0.00009277938919
                   +1 :               0.00014516623918
                3s
                   +0 :              -0.00045975881120
                4s
                   +0 :               0.00006675392048
                3p
                   -1 :              -0.00046486540558
                   +0 :              -0.00017560823642
                   +1 :              -0.00060630866880
                4p
                   -1 :               0.00009783112316
                   +0 :              -0.00003172473628
                   +1 :               0.00004061674727
                3d
                   -2 :              -0.00016384985071
                   -1 :              -0.00005302234078
                   +0 :               0.00001691351079
                   +1 :              -0.00021636072120
                   +2 :              -0.00028861175193
              7 vec=    10.582837     -5.868340      5.671791   |vec|=   13.364246
                2s
                   +0 :              -0.00009168693927
                2p
                   -1 :              -0.00001374172141
                   +0 :               0.00005026523207
                   +1 :              -0.00002923361210
                3s
                   +0 :               0.00031289612575
                4s
                   +0 :              -0.00013322077483
                3p
                   -1 :              -0.00001062867213
                   +0 :              -0.00014842035340
                   +1 :               0.00018552125898
                4p
                   -1 :               0.00002337340246
                   +0 :              -0.00000358223090
                   +1 :              -0.00009417276417
                3d
                   -2 :              -0.00001575248139
                   -1 :              -0.00006466642717
                   +0 :              -0.00004551257229
                   +1 :              -0.00009428782829
                   +2 :              -0.00008567014432
              8 vec=   -12.757651     -1.376461      5.671791   |vec|=   14.029310
                2s
                   +0 :              -0.00042090818925
                2p
                   -1 :              -0.00016815540725
                   +0 :              -0.00009838126462
                   +1 :               0.00009542380448
                3s
                   +0 :               0.00114609547411
                4s
                   +0 :              -0.00022076254201
                3p
                   -1 :               0.00078062052364
                   +0 :               0.00043814634402
                   +1 :              -0.00019251283543
                4p
                   -1 :              -0.00019494748681
                   +0 :              -0.00013190847453
                   +1 :              -0.00006507564362
                3d
                   -2 :              -0.00013034962691
                   -1 :               0.00019312210409
                   +0 :              -0.00000786027176
                   +1 :              -0.00007897596157
                   +2 :              -0.00000023054433
              9 vec=    -4.977489     12.099176      5.671791   |vec|=   14.259546
                2s
                   +0 :               0.00003977633529
                2p
                   -1 :               0.00013648403357
                   +0 :               0.00007014971236
                   +1 :               0.00000039110598
                3s
                   +0 :              -0.00024460011016
                4s
                   +0 :               0.00016611280938
                3p
                   -1 :              -0.00083968610752
                   +0 :              -0.00022843942402
                   +1 :               0.00000289044567
                4p
                   -1 :               0.00024907678197
                   +0 :               0.00005009996450
                   +1 :              -0.00002167439379
                3d
                   -2 :               0.00005589188490
                   -1 :              -0.00014331192739
                   +0 :               0.00013746209171
                   +1 :              -0.00009250407079
                   +2 :               0.00004379373597
             10 vec=   -12.757651      7.607297      5.671791   |vec|=   15.899618
                2s
                   +0 :               0.00014846676247
                2p
                   -1 :               0.00006914889308
                   +0 :               0.00004867251603
                   +1 :              -0.00009519542609
                3s
                   +0 :              -0.00045138011520
                4s
                   +0 :               0.00011283764535
                3p
                   -1 :              -0.00036259563151
                   +0 :              -0.00016329095098
                   +1 :               0.00050179521399
                4p
                   -1 :               0.00007303273209
                   +0 :               0.00001089424203
                   +1 :              -0.00010516125046
                3d
                   -2 :               0.00012477413033
                   -1 :              -0.00007241274632
                   +0 :               0.00007599969728
                   +1 :               0.00004138249079
                   +2 :              -0.00007649366928
             11 vec=    -4.977489    -14.852098      5.671791   |vec|=   16.659215
                2s
                   +0 :              -0.00007311486849
                2p
                   -1 :               0.00002481242831
                   +0 :              -0.00002059659465
                   +1 :               0.00000924822401
                3s
                   +0 :               0.00002752657229
                4s
                   +0 :              -0.00003243849169
                3p
                   -1 :               0.00003453178824
                   +0 :               0.00007183474472
                   +1 :              -0.00006815477917
                4p
                   -1 :              -0.00000092107856
                   +0 :              -0.00000422158620
                   +1 :               0.00001977625564
                3d
                   -2 :               0.00001213468880
                   -1 :              -0.00005848769654
                   +0 :               0.00002131567661
                   +1 :              -0.00001017640867
                   +2 :              -0.00000754526115
             12 vec=    10.582837     12.099176      5.671791   |vec|=   17.045694
                2s
                   +0 :               0.00015207307076
                2p
                   -1 :               0.00005274599015
                   +0 :               0.00004763488406
                   +1 :               0.00008619142948
                3s
                   +0 :              -0.00054366353296
                4s
                   +0 :               0.00019085971647
                3p
                   -1 :              -0.00032108771452
                   +0 :              -0.00024778194773
                   +1 :              -0.00044665043945
                4p
                   -1 :               0.00010104964566
                   +0 :               0.00005505366488
                   +1 :               0.00009609307286
                3d
                   -2 :              -0.00008059540489
                   -1 :              -0.00007022484195
                   +0 :              -0.00000830559157
                   +1 :              -0.00013043424996
                   +2 :              -0.00006500106314
             13 vec=   -12.757651    -10.360219      5.671791   |vec|=   17.385656
                2s
                   +0 :               0.00003031669965
                2p
                   -1 :              -0.00004079983040
                   +0 :              -0.00002283137497
                   +1 :              -0.00000218168987
                3s
                   +0 :              -0.00007193043634
                4s
                   +0 :               0.00002368897518
                3p
                   -1 :               0.00018478866043
                   +0 :               0.00007027917540
                   +1 :              -0.00001638012206
                4p
                   -1 :              -0.00005523207923
                   +0 :               0.00000188103674
                   +1 :               0.00001189753185
                3d
                   -2 :              -0.00001819552410
                   -1 :               0.00000900256251
                   +0 :              -0.00001376008559
                   +1 :              -0.00000273066477
                   +2 :               0.00000348198779
             14 vec=     2.802674     16.591055      5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00000907523069
                2p
                   -1 :               0.00000081615548
                   +0 :              -0.00001768580629
                   +1 :               0.00001310829476
                3s
                   +0 :               0.00014274788985
                4s
                   +0 :              -0.00006119811575
                3p
                   -1 :               0.00006227088197
                   +0 :               0.00002404818943
                   +1 :               0.00003120914707
                4p
                   -1 :              -0.00001921589141
                   +0 :               0.00003102349993
                   +1 :              -0.00004148094292
                3d
                   -2 :              -0.00005748844411
                   -1 :               0.00000720061351
                   +0 :              -0.00000131242667
                   +1 :              -0.00004997710016
                   +2 :               0.00002522446214
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Cr(  3)  npairs=  13
              1 vec=     2.802674     -1.376461     -6.601980   |vec|=    7.303134
                3s
                   +0 :               0.00225746165667
                3p
                   -1 :              -0.00045678872736
                   +0 :               0.00008116213554
                   +1 :               0.00109831968389
                4s
                   +0 :              -0.00495646552827
                5s
                   +0 :               0.00029272168059
                3d
                   -2 :               0.00183500668137
                   -1 :              -0.00083641141555
                   +0 :              -0.00185802815071
                   +1 :              -0.00138124227062
                   +2 :               0.00121997206651
                4d
                   -2 :               0.00012827766480
                   -1 :              -0.00170571014171
                   +0 :              -0.00000729591854
                   +1 :               0.00058293686543
                   +2 :               0.00102486877184
                4p
                   -1 :               0.00256121245878
                   +0 :               0.00218903669481
                   +1 :              -0.00110744683970
              2 vec=    -4.977489      3.115418     -6.601980   |vec|=    8.835573
                3s
                   +0 :               0.00022283535596
                3p
                   -1 :              -0.00016216721571
                   +0 :               0.00033504109594
                   +1 :               0.00056883151070
                4s
                   +0 :              -0.00554670699785
                5s
                   +0 :               0.00063734516780
                3d
                   -2 :               0.00099413359647
                   -1 :              -0.00008428762451
                   +0 :               0.00091466475894
                   +1 :              -0.00045841447342
                   +2 :               0.00070614190943
                4d
                   -2 :               0.00145712063282
                   -1 :               0.00126567313250
                   +0 :              -0.00041531355645
                   +1 :              -0.00090229246089
                   +2 :              -0.00017913921621
                4p
                   -1 :              -0.00124560060525
                   +0 :               0.00182640297849
                   +1 :               0.00081347348892
              3 vec=    -4.977489     -5.868340     -6.601980   |vec|=   10.138982
                3s
                   +0 :               0.00061434291814
                3p
                   -1 :              -0.00017317886892
                   +0 :              -0.00042914514827
                   +1 :              -0.00004806808103
                4s
                   +0 :              -0.00054903191707
                5s
                   +0 :              -0.00001480453805
                3d
                   -2 :              -0.00081197311430
                   -1 :              -0.00004962956823
                   +0 :               0.00015235677387
                   +1 :              -0.00002577989453
                   +2 :               0.00008382187063
                4d
                   -2 :               0.00027339810261
                   -1 :              -0.00032861173260
                   +0 :               0.00007139012794
                   +1 :               0.00011538575051
                   +2 :               0.00018701178660
                4p
                   -1 :               0.00039590861049
                   +0 :               0.00083099299260
                   +1 :              -0.00049181459374
              4 vec=     2.802674      7.607297     -6.601980   |vec|=   10.455242
                3s
                   +0 :               0.00163524815995
                3p
                   -1 :               0.00046592731182
                   +0 :              -0.00022808304476
                   +1 :               0.00022113474325
                4s
                   +0 :              -0.00418112977698
                5s
                   +0 :               0.00046586688857
                3d
                   -2 :               0.00084707309893
                   -1 :               0.00027706532282
                   +0 :               0.00033561775025
                   +1 :              -0.00012566480173
                   +2 :              -0.00089152513836
                4d
                   -2 :              -0.00079691341123
                   -1 :               0.00023416156573
                   +0 :              -0.00014123044763
                   +1 :               0.00082167634401
                   +2 :               0.00013408148433
                4p
                   -1 :              -0.00127661191658
                   +0 :               0.00093124366194
                   +1 :              -0.00038362946063
              5 vec=     2.802674    -10.360219     -6.601980   |vec|=   12.600606
                3s
                   +0 :               0.00055080166842
                3p
                   -1 :              -0.00035296370175
                   +0 :              -0.00027048350414
                   +1 :              -0.00002699711872
                4s
                   +0 :              -0.00065812931796
                5s
                   +0 :               0.00005616986310
                3d
                   -2 :              -0.00015298207304
                   -1 :               0.00070500837824
                   +0 :              -0.00007062422128
                   +1 :               0.00005525782193
                   +2 :              -0.00062215431459
                4d
                   -2 :              -0.00004255827182
                   -1 :              -0.00038070298345
                   +0 :               0.00007544472294
                   +1 :              -0.00005077891449
                   +2 :               0.00028985298942
                4p
                   -1 :               0.00044717584695
                   +0 :               0.00031419443295
                   +1 :               0.00007582069077
              6 vec=    10.582837      3.115418     -6.601980   |vec|=   12.856453
                3s
                   +0 :               0.00003150188204
                3p
                   -1 :               0.00006057832600
                   +0 :              -0.00020889575275
                   +1 :               0.00006844101432
                4s
                   +0 :              -0.00018611003160
                5s
                   +0 :               0.00005745308880
                3d
                   -2 :               0.00014649227509
                   -1 :              -0.00008147996520
                   +0 :               0.00000180199077
                   +1 :              -0.00032291744307
                   +2 :               0.00016331991260
                4d
                   -2 :               0.00002433221398
                   -1 :               0.00006065234507
                   +0 :              -0.00013744839153
                   +1 :               0.00022492772956
                   +2 :              -0.00010341175155
                4p
                   -1 :              -0.00010932383180
                   +0 :               0.00035875530767
                   +1 :              -0.00014325288206
              7 vec=    10.582837     -5.868340     -6.601980   |vec|=   13.784774
                3s
                   +0 :               0.00002337882238
                3p
                   -1 :              -0.00021411226465
                   +0 :              -0.00004458442126
                   +1 :              -0.00009190496080
                4s
                   +0 :               0.00006174464262
                5s
                   +0 :              -0.00007586461551
                3d
                   -2 :               0.00010726838595
                   -1 :              -0.00013269370179
                   +0 :               0.00012235262561
                   +1 :              -0.00008142563280
                   +2 :              -0.00009588329697
                4d
                   -2 :              -0.00009180095677
                   -1 :              -0.00010246301084
                   +0 :              -0.00010167794006
                   +1 :              -0.00005330035380
                   +2 :               0.00002089755718
                4p
                   -1 :               0.00031342535290
                   +0 :               0.00007541618473
                   +1 :               0.00017447815485
              8 vec=   -12.757651     -1.376461     -6.601980   |vec|=   14.430470
                3s
                   +0 :               0.00003402494478
                3p
                   -1 :               0.00009425883202
                   +0 :              -0.00003137012972
                   +1 :              -0.00005602270131
                4s
                   +0 :               0.00003810359485
                5s
                   +0 :              -0.00005851137007
                3d
                   -2 :              -0.00015676613300
                   -1 :              -0.00008049046633
                   +0 :               0.00005156911437
                   +1 :               0.00020197549160
                   +2 :               0.00002515440887
                4d
                   -2 :               0.00005695902414
                   -1 :               0.00000494549798
                   +0 :              -0.00004813853474
                   +1 :              -0.00002295780679
                   +2 :               0.00011698108098
                4p
                   -1 :              -0.00018178727120
                   +0 :               0.00004215286542
                   +1 :               0.00002274578772
              9 vec=    -4.977489     12.099176     -6.601980   |vec|=   14.654405
                3s
                   +0 :              -0.00031596373723
                3p
                   -1 :              -0.00007973071697
                   +0 :               0.00005702886295
                   +1 :               0.00006062774842
                4s
                   +0 :               0.00046048558861
                5s
                   +0 :               0.00002491558861
                3d
                   -2 :               0.00003884473928
                   -1 :               0.00014184808668
                   +0 :               0.00008592852187
                   +1 :              -0.00017198346755
                   +2 :              -0.00028137796942
                4d
                   -2 :              -0.00005905366087
                   -1 :              -0.00005965187109
                   +0 :              -0.00012080733394
                   +1 :               0.00004672325943
                   +2 :               0.00008683061552
                4p
                   -1 :               0.00015059544614
                   +0 :              -0.00007352049823
                   +1 :              -0.00016153156751
             10 vec=   -12.757651      7.607297     -6.601980   |vec|=   16.254684
                3s
                   +0 :               0.00017015157606
                3p
                   -1 :               0.00006293782332
                   +0 :              -0.00005056589046
                   +1 :              -0.00006614075746
                4s
                   +0 :              -0.00023666766670
                5s
                   +0 :              -0.00000158413591
                3d
                   -2 :              -0.00000716997853
                   -1 :               0.00002544621188
                   +0 :              -0.00004268503976
                   +1 :               0.00000537415609
                   +2 :               0.00000025876271
                4d
                   -2 :               0.00002955329505
                   -1 :               0.00004302846420
                   +0 :               0.00000638171503
                   +1 :              -0.00004835706675
                   +2 :              -0.00002442813785
                4p
                   -1 :              -0.00010164240938
                   +0 :               0.00011504707197
                   +1 :               0.00006878544672
             11 vec=    -4.977489    -14.852098     -6.601980   |vec|=   16.998422
                3s
                   +0 :              -0.00004999017267
                3p
                   -1 :               0.00003759065255
                   +0 :               0.00003514982165
                   +1 :              -0.00002920317242
                4s
                   +0 :               0.00024340145126
                5s
                   +0 :              -0.00001713973530
                3d
                   -2 :               0.00003004215407
                   -1 :               0.00017973302189
                   +0 :              -0.00002937183955
                   +1 :              -0.00007391682072
                   +2 :              -0.00012944035422
                4d
                   -2 :              -0.00000189655545
                   -1 :               0.00005473097789
                   +0 :               0.00001702027495
                   +1 :               0.00000228856129
                   +2 :              -0.00004352345272
                4p
                   -1 :              -0.00010280363188
                   +0 :              -0.00010372664885
                   +1 :               0.00003001515041
             12 vec=    10.582837     12.099176     -6.601980   |vec|=   17.377359
                3s
                   +0 :              -0.00001235474335
                3p
                   -1 :              -0.00002751690660
                   +0 :               0.00001720696447
                   +1 :              -0.00000621323087
                4s
                   +0 :              -0.00003876326681
                5s
                   +0 :              -0.00000745365820
                3d
                   -2 :              -0.00011964377124
                   -1 :               0.00007573015211
                   +0 :               0.00000166698204
                   +1 :               0.00012799163964
                   +2 :              -0.00000458033723
                4d
                   -2 :              -0.00000710590155
                   -1 :              -0.00002703041083
                   +0 :               0.00000529617820
                   +1 :              -0.00001086686689
                   +2 :               0.00000515759178
                4p
                   -1 :               0.00002853294467
                   +0 :              -0.00002369486064
                   +1 :               0.00000980296658
             13 vec=   -12.757651    -10.360219     -6.601980   |vec|=   17.710956
                3s
                   +0 :              -0.00002271404694
                3p
                   -1 :              -0.00002198310600
                   +0 :              -0.00000357516999
                   +1 :               0.00001899800122
                4s
                   +0 :               0.00005177073087
                5s
                   +0 :               0.00000232466013
                3d
                   -2 :               0.00000952167039
                   -1 :              -0.00005085745692
                   +0 :               0.00000522982587
                   +1 :              -0.00000437448936
                   +2 :               0.00000718423297
                4d
                   -2 :              -0.00001171678504
                   -1 :              -0.00001916456171
                   +0 :               0.00001883410678
                   +1 :              -0.00000875113341
                   +2 :               0.00000257999017
                4p
                   -1 :               0.00004110083347
                   +0 :               0.00001461774944
                   +1 :              -0.00003357872845
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al(  4)  npairs=  15
              1 vec=     2.802674     -1.376461     10.693237   |vec|=   11.139791
                2s
                   +0 :              -0.00055399186223
                2p
                   -1 :               0.00002218995174
                   +0 :              -0.00013795296458
                   +1 :               0.00027180518060
                3s
                   +0 :               0.00180086785634
                4s
                   +0 :              -0.00035766803467
                3p
                   -1 :              -0.00085340132272
                   +0 :               0.00051032564317
                   +1 :              -0.00089476084066
                4p
                   -1 :              -0.00001522348258
                   +0 :               0.00003349026490
                   +1 :               0.00027294614561
                3d
                   -2 :              -0.00000745894505
                   -1 :              -0.00023416096310
                   +0 :              -0.00032713683886
                   +1 :               0.00001392147982
                   +2 :               0.00031470799413
              2 vec=    -4.977489      3.115418     10.693237   |vec|=   12.199448
                2s
                   +0 :              -0.00036159701515
                2p
                   -1 :              -0.00034510648072
                   +0 :              -0.00010277385031
                   +1 :              -0.00003769376314
                3s
                   +0 :               0.00124377498736
                4s
                   +0 :              -0.00018821036832
                3p
                   -1 :               0.00175333455996
                   +0 :               0.00033658628807
                   +1 :               0.00029832161339
                4p
                   -1 :              -0.00031186425421
                   +0 :              -0.00003237298904
                   +1 :              -0.00008884486332
                3d
                   -2 :               0.00002535966281
                   -1 :               0.00037626647164
                   +0 :              -0.00026438587726
                   +1 :               0.00015632699377
                   +2 :              -0.00017945708220
              3 vec=    -4.977489     -5.868340     10.693237   |vec|=   13.174146
                2s
                   +0 :               0.00009662985119
                2p
                   -1 :               0.00004969116826
                   +0 :              -0.00002359785728
                   +1 :               0.00010505120962
                3s
                   +0 :              -0.00158417314038
                4s
                   +0 :               0.00016884074777
                3p
                   -1 :               0.00039088648318
                   +0 :              -0.00083828584351
                   +1 :               0.00025483399183
                4p
                   -1 :              -0.00002122485208
                   +0 :              -0.00000180496011
                   +1 :               0.00011637484037
                3d
                   -2 :              -0.00013537145988
                   -1 :               0.00018343031139
                   +0 :              -0.00005130353970
                   +1 :               0.00017272062993
                   +2 :              -0.00003210225004
              4 vec=     2.802674      7.607297     10.693237   |vec|=   13.419063
                2s
                   +0 :               0.00016152398762
                2p
                   -1 :              -0.00014308138513
                   +0 :               0.00006512144767
                   +1 :               0.00009573681528
                3s
                   +0 :               0.00033230130915
                4s
                   +0 :              -0.00015160743705
                3p
                   -1 :               0.00103172412056
                   +0 :               0.00042624030665
                   +1 :              -0.00031380561758
                4p
                   -1 :              -0.00017555009951
                   +0 :              -0.00019369391896
                   +1 :              -0.00002979298787
                3d
                   -2 :               0.00000321600263
                   -1 :               0.00025306798308
                   +0 :               0.00027632417785
                   +1 :              -0.00023433307468
                   +2 :              -0.00010266718834
              5 vec=     2.802674     -1.376461    -13.854306   |vec|=   14.201810
                2s
                   +0 :               0.00002265512713
                2p
                   -1 :               0.00004606153967
                   +0 :              -0.00005177792721
                   +1 :               0.00001685653207
                3s
                   +0 :              -0.00016302406669
                4s
                   +0 :               0.00007400533180
                3p
                   -1 :              -0.00026774127572
                   +0 :               0.00036197956603
                   +1 :              -0.00005626883115
                4p
                   -1 :               0.00009658911566
                   +0 :              -0.00011316061512
                   +1 :              -0.00003326820173
                3d
                   -2 :               0.00004435508434
                   -1 :              -0.00004774612586
                   +0 :              -0.00006110772867
                   +1 :               0.00002357999682
                   +2 :              -0.00001892309710
              6 vec=    -4.977489      3.115418    -13.854306   |vec|=   15.047359
                2s
                   +0 :              -0.00000863856823
                2p
                   -1 :              -0.00006800022341
                   +0 :               0.00001196696043
                   +1 :               0.00003891012518
                3s
                   +0 :              -0.00002850615675
                4s
                   +0 :              -0.00001770510190
                3p
                   -1 :               0.00026704223826
                   +0 :              -0.00006724771785
                   +1 :              -0.00018056420763
                4p
                   -1 :              -0.00004723828467
                   +0 :               0.00005488122872
                   +1 :               0.00006410779764
                3d
                   -2 :              -0.00003853759028
                   -1 :               0.00001776014987
                   +0 :              -0.00000236767892
                   +1 :              -0.00001764801953
                   +2 :               0.00000994666725
              7 vec=     2.802674    -10.360219     10.693237   |vec|=   15.150394
                2s
                   +0 :              -0.00000664688518
                2p
                   -1 :              -0.00001116148824
                   +0 :              -0.00004342348939
                   +1 :              -0.00005855857290
                3s
                   +0 :              -0.00013877104778
                4s
                   +0 :              -0.00001741451603
                3p
                   -1 :               0.00005031736177
                   +0 :               0.00014034139148
                   +1 :               0.00010402178382
                4p
                   -1 :              -0.00000344500815
                   +0 :              -0.00004902037027
                   +1 :              -0.00004762277007
                3d
                   -2 :               0.00003744460564
                   -1 :              -0.00003396852319
                   +0 :               0.00000588854836
                   +1 :              -0.00001270317778
                   +2 :              -0.00002988877336
              8 vec=    10.582837      3.115418     10.693237   |vec|=   15.363840
                2s
                   +0 :               0.00012396626523
                2p
                   -1 :               0.00000174655003
                   +0 :               0.00005285887454
                   +1 :               0.00001884212209
                3s
                   +0 :              -0.00021434871106
                4s
                   +0 :               0.00002753027184
                3p
                   -1 :              -0.00006804547985
                   +0 :              -0.00020362747168
                   +1 :               0.00015488337496
                4p
                   -1 :              -0.00000685584912
                   +0 :               0.00005324811790
                   +1 :              -0.00010203764579
                3d
                   -2 :               0.00000391865972
                   -1 :              -0.00003866849167
                   +0 :              -0.00001490572997
                   +1 :               0.00001659379343
                   +2 :               0.00005269038681
              9 vec=    -4.977489     -5.868340    -13.854306   |vec|=   15.847858
                2s
                   +0 :               0.00001751257737
                2p
                   -1 :              -0.00002992215788
                   +0 :              -0.00001994102155
                   +1 :              -0.00001580593180
                3s
                   +0 :              -0.00000544265478
                4s
                   +0 :               0.00006458920291
                3p
                   -1 :               0.00003344485978
                   +0 :               0.00014852868473
                   +1 :               0.00008495143959
                4p
                   -1 :              -0.00003379332001
                   +0 :              -0.00006586484637
                   +1 :              -0.00002166670870
                3d
                   -2 :              -0.00000471063894
                   -1 :              -0.00001624621519
                   +0 :              -0.00004131457212
                   +1 :              -0.00003500594676
                   +2 :              -0.00001771972615
             10 vec=     2.802674      7.607297    -13.854306   |vec|=   16.052032
                2s
                   +0 :               0.00008387713360
                2p
                   -1 :               0.00002616776105
                   +0 :              -0.00002444279066
                   +1 :              -0.00003579322682
                3s
                   +0 :              -0.00004112411824
                4s
                   +0 :               0.00001840468420
                3p
                   -1 :              -0.00004220012190
                   +0 :               0.00001018842121
                   +1 :               0.00025383085432
                4p
                   -1 :              -0.00000497588740
                   +0 :               0.00005371934618
                   +1 :              -0.00001519791525
                3d
                   -2 :               0.00003531423962
                   -1 :               0.00002198134433
                   +0 :              -0.00001067731306
                   +1 :               0.00005052469200
                   +2 :               0.00001771809699
             11 vec=    10.582837     -5.868340     10.693237   |vec|=   16.148658
                2s
                   +0 :              -0.00018749992597
                2p
                   -1 :               0.00003735688333
                   +0 :              -0.00009940854778
                   +1 :              -0.00007142432846
                3s
                   +0 :               0.00062901449063
                4s
                   +0 :              -0.00023078817481
                3p
                   -1 :              -0.00014108439927
                   +0 :               0.00048702122539
                   +1 :               0.00031554392359
                4p
                   -1 :               0.00003677110426
                   +0 :              -0.00014941626813
                   +1 :              -0.00005955251669
                3d
                   -2 :               0.00000625273626
                   -1 :              -0.00005719785957
                   +0 :               0.00006059047072
                   +1 :               0.00009117906107
                   +2 :               0.00002136015946
             12 vec=   -12.757651     -1.376461     10.693237   |vec|=   16.703222
                2s
                   +0 :              -0.00005249525365
                2p
                   -1 :              -0.00001356533119
                   +0 :              -0.00004851981057
                   +1 :               0.00003110366256
                3s
                   +0 :               0.00026010921189
                4s
                   +0 :              -0.00009643124871
                3p
                   -1 :               0.00007710087753
                   +0 :               0.00029297476624
                   +1 :              -0.00016668694641
                4p
                   -1 :              -0.00002571036407
                   +0 :              -0.00007811077764
                   +1 :               0.00004841377201
                3d
                   -2 :              -0.00004979311738
                   -1 :               0.00002610027686
                   +0 :               0.00007364300948
                   +1 :              -0.00005900800890
                   +2 :               0.00004148859525
             13 vec=    -4.977489     12.099176     10.693237   |vec|=   16.897064
                2s
                   +0 :              -0.00012086268576
                2p
                   -1 :              -0.00003069749567
                   +0 :              -0.00003948720475
                   +1 :              -0.00003959081549
                3s
                   +0 :               0.00047392305032
                4s
                   +0 :              -0.00009019578033
                3p
                   -1 :               0.00011673640189
                   +0 :               0.00025616435127
                   +1 :               0.00028514024969
                4p
                   -1 :               0.00001845432552
                   +0 :              -0.00003719568889
                   +1 :              -0.00011307992483
                3d
                   -2 :               0.00005026773357
                   -1 :               0.00001596012500
                   +0 :               0.00006860050604
                   +1 :               0.00000628346923
                   +2 :              -0.00002291842897
             14 vec=     2.802674    -10.360219    -13.854306   |vec|=   17.525151
                2s
                   +0 :               0.00006495353580
                2p
                   -1 :              -0.00002486233905
                   +0 :              -0.00001878368428
                   +1 :              -0.00002231124254
                3s
                   +0 :              -0.00051051363870
                4s
                   +0 :               0.00008013717321
                3p
                   -1 :               0.00032906505668
                   +0 :               0.00015255523557
                   +1 :               0.00015442354785
                4p
                   -1 :              -0.00002141576537
                   +0 :              -0.00005605225274
                   +1 :              -0.00003072202588
                3d
                   -2 :              -0.00004427501935
                   -1 :              -0.00003104317540
                   +0 :               0.00004801055039
                   +1 :              -0.00001957131307
                   +2 :               0.00008292337532
             15 vec=    10.582837      3.115418    -13.854306   |vec|=   17.709998
                2s
                   +0 :              -0.00005969132266
                2p
                   -1 :              -0.00000183026656
                   +0 :              -0.00000363644319
                   +1 :              -0.00002278805483
                3s
                   +0 :               0.00046728338001
                4s
                   +0 :              -0.00005027457157
                3p
                   -1 :               0.00005948270219
                   +0 :              -0.00000260120334
                   +1 :               0.00029010967800
                4p
                   -1 :               0.00000485196437
                   +0 :              -0.00000100733499
                   +1 :              -0.00002335704634
                3d
                   -2 :               0.00004013693252
                   -1 :              -0.00000350020931
                   +0 :              -0.00005070975869
                   +1 :              -0.00001380690346
                   +2 :               0.00006179827964
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al(  5)  npairs=  13
              1 vec=     0.209286      3.115418      6.601898   |vec|=    7.303060
                2s
                   +0 :              -0.00139008038118
                2p
                   -1 :              -0.00026611166314
                   +0 :              -0.00124235328142
                   +1 :               0.00000353623197
                3s
                   +0 :               0.00469961643843
                4s
                   +0 :              -0.00251613500904
                3p
                   -1 :               0.00240393180436
                   +0 :               0.00135778013121
                   +1 :              -0.00032929933206
                4p
                   -1 :              -0.00106995067173
                   +0 :              -0.00135518082023
                   +1 :               0.00034075750224
                3d
                   -2 :               0.00085564673118
                   -1 :              -0.00133015613878
                   +0 :              -0.00110326688699
                   +1 :               0.00023464284076
                   +2 :               0.00015259644068
              2 vec=     0.209286     -5.868340      6.601898   |vec|=    8.835512
                2s
                   +0 :               0.00181568960016
                2p
                   -1 :               0.00002003000663
                   +0 :               0.00034338094219
                   +1 :              -0.00000320079974
                3s
                   +0 :              -0.01736600720615
                4s
                   +0 :               0.00217405915609
                3p
                   -1 :               0.00684511030142
                   +0 :              -0.00921827053306
                   +1 :              -0.00027226042983
                4p
                   -1 :               0.00042296766177
                   +0 :               0.00061881783467
                   +1 :              -0.00000276508513
                3d
                   -2 :              -0.00045944522754
                   -1 :               0.00306385243850
                   +0 :              -0.00078573587074
                   +1 :              -0.00002977472478
                   +2 :               0.00219251527177
              3 vec=    -7.570876     -1.376461      6.601898   |vec|=   10.138928
                2s
                   +0 :               0.00133475656485
                2p
                   -1 :              -0.00026158037225
                   +0 :               0.00045686659407
                   +1 :              -0.00076819831596
                3s
                   +0 :              -0.00589032702072
                4s
                   +0 :               0.00265270606554
                3p
                   -1 :               0.00141536911818
                   +0 :              -0.00348927317633
                   +1 :               0.00453857706292
                4p
                   -1 :              -0.00045654190567
                   +0 :               0.00104721766107
                   +1 :              -0.00153585012131
                3d
                   -2 :              -0.00031067839900
                   -1 :               0.00033040376462
                   +0 :               0.00023366996446
                   +1 :               0.00084277773403
                   +2 :              -0.00074648425481
              4 vec=     7.989449     -1.376461      6.601898   |vec|=   10.455190
                2s
                   +0 :               0.00040596521451
                2p
                   -1 :               0.00003934637208
                   +0 :              -0.00001911261380
                   +1 :               0.00033633603774
                3s
                   +0 :              -0.00180107920226
                4s
                   +0 :               0.00075061578118
                3p
                   -1 :              -0.00021410779321
                   +0 :              -0.00075769996429
                   +1 :              -0.00212363956265
                4p
                   -1 :              -0.00003239121227
                   +0 :               0.00021678822051
                   +1 :               0.00066660526499
                3d
                   -2 :              -0.00001410527051
                   -1 :              -0.00047646887678
                   +0 :               0.00030766134662
                   +1 :              -0.00051986638821
                   +2 :              -0.00034139207369
              5 vec=    -7.570876      7.607297      6.601898   |vec|=   12.600563
                2s
                   +0 :              -0.00001163463417
                2p
                   -1 :               0.00017196461213
                   +0 :              -0.00009968780345
                   +1 :              -0.00012153383277
                3s
                   +0 :               0.00109437639445
                4s
                   +0 :              -0.00039578538365
                3p
                   -1 :              -0.00069194295740
                   +0 :               0.00106529468142
                   +1 :               0.00001726992905
                4p
                   -1 :               0.00025195124011
                   +0 :              -0.00022095924527
                   +1 :              -0.00002478361581
                3d
                   -2 :              -0.00002274036478
                   -1 :               0.00008481553917
                   +0 :               0.00017050086233
                   +1 :              -0.00015459850380
                   +2 :               0.00001059936557
              6 vec=     7.989449      7.607297      6.601898   |vec|=   12.856411
                2s
                   +0 :              -0.00021997835173
                2p
                   -1 :               0.00001335986878
                   +0 :               0.00009665112648
                   +1 :               0.00006176459763
                3s
                   +0 :               0.00150394307815
                4s
                   +0 :              -0.00019162095571
                3p
                   -1 :               0.00024294854602
                   +0 :               0.00020635677609
                   +1 :               0.00013717094951
                4p
                   -1 :              -0.00002382633275
                   +0 :              -0.00000061810525
                   +1 :               0.00013391719744
                3d
                   -2 :               0.00022844030695
                   -1 :               0.00001729423775
                   +0 :              -0.00011307856454
                   +1 :               0.00004765575920
                   +2 :               0.00004941037166
              7 vec=     0.209286     12.099176      6.601898   |vec|=   13.784734
                2s
                   +0 :              -0.00003326555410
                2p
                   -1 :              -0.00013176292394
                   +0 :               0.00003204393344
                   +1 :              -0.00020833681097
                3s
                   +0 :               0.00077144185546
                4s
                   +0 :              -0.00054389806803
                3p
                   -1 :               0.00129221924723
                   +0 :               0.00001382901960
                   +1 :               0.00077622625925
                4p
                   -1 :              -0.00059759930841
                   +0 :              -0.00011071332894
                   +1 :              -0.00012394533281
                3d
                   -2 :              -0.00010423740661
                   -1 :               0.00001892070925
                   +0 :              -0.00008136660955
                   +1 :              -0.00000821809777
                   +2 :              -0.00015707068288
              8 vec=    -7.570876    -10.360219      6.601898   |vec|=   14.430432
                2s
                   +0 :               0.00021625801483
                2p
                   -1 :              -0.00007943485283
                   +0 :               0.00014196285844
                   +1 :               0.00006340143361
                3s
                   +0 :              -0.00086241460350
                4s
                   +0 :               0.00017371711660
                3p
                   -1 :               0.00033266804317
                   +0 :              -0.00069240893786
                   +1 :              -0.00032847965648
                4p
                   -1 :              -0.00003571133348
                   +0 :               0.00010927480529
                   +1 :               0.00016784218774
                3d
                   -2 :               0.00008484768849
                   -1 :               0.00013316309480
                   +0 :              -0.00006574730381
                   +1 :              -0.00002975248546
                   +2 :              -0.00000705118053
              9 vec=     7.989449    -10.360219      6.601898   |vec|=   14.654368
                2s
                   +0 :              -0.00007946425504
                2p
                   -1 :               0.00006348641206
                   +0 :              -0.00002910624681
                   +1 :               0.00001106480822
                3s
                   +0 :               0.00011614951313
                4s
                   +0 :               0.00004439237562
                3p
                   -1 :              -0.00037364089939
                   +0 :               0.00005493068685
                   +1 :              -0.00014500373880
                4p
                   -1 :               0.00005021264053
                   +0 :               0.00002764426831
                   +1 :               0.00004924279236
                3d
                   -2 :               0.00001865778669
                   -1 :              -0.00007944436414
                   +0 :              -0.00002925693331
                   +1 :              -0.00003447864817
                   +2 :              -0.00005117839707
             10 vec=     0.209286    -14.852098      6.601898   |vec|=   16.254651
                2s
                   +0 :               0.00016276965472
                2p
                   -1 :              -0.00005666560829
                   +0 :               0.00006764917221
                   +1 :               0.00001750689311
                3s
                   +0 :              -0.00053994694382
                4s
                   +0 :               0.00008820441307
                3p
                   -1 :               0.00019320273300
                   +0 :              -0.00030853373953
                   +1 :              -0.00011464279014
                4p
                   -1 :               0.00000840114850
                   +0 :               0.00006505169875
                   +1 :               0.00004421035536
                3d
                   -2 :               0.00003135638760
                   -1 :               0.00006123743737
                   +0 :              -0.00002619653123
                   +1 :               0.00001309641519
                   +2 :               0.00000906413998
             11 vec=   -15.351039      3.115418      6.601898   |vec|=   16.998390
                2s
                   +0 :              -0.00002854142774
                2p
                   -1 :              -0.00002419508917
                   +0 :              -0.00001689688949
                   +1 :               0.00001731971973
                3s
                   +0 :               0.00014495044029
                4s
                   +0 :              -0.00004686855935
                3p
                   -1 :               0.00012870458176
                   +0 :               0.00008911467586
                   +1 :              -0.00010450360618
                4p
                   -1 :              -0.00003012838627
                   +0 :              -0.00001063538522
                   +1 :               0.00002811220792
                3d
                   -2 :              -0.00003428038330
                   -1 :               0.00002123235690
                   +0 :              -0.00001173306329
                   +1 :              -0.00000652110304
                   +2 :              -0.00004966528086
             12 vec=    15.769612      3.115418      6.601898   |vec|=   17.377328
                2s
                   +0 :              -0.00005679043288
                2p
                   -1 :              -0.00000986998655
                   +0 :              -0.00003487479481
                   +1 :              -0.00000801801591
                3s
                   +0 :               0.00023221420775
                4s
                   +0 :              -0.00006508044254
                3p
                   -1 :               0.00003951351894
                   +0 :               0.00020148952814
                   +1 :               0.00004098568701
                4p
                   -1 :              -0.00001146205584
                   +0 :              -0.00004827151030
                   +1 :               0.00000379308323
                3d
                   -2 :               0.00001212200241
                   -1 :               0.00002196173221
                   +0 :               0.00001449624934
                   +1 :               0.00004448710463
                   +2 :              -0.00002350498691
             13 vec=   -15.351039     -5.868340      6.601898   |vec|=   17.710925
                2s
                   +0 :               0.00002439132910
                2p
                   -1 :              -0.00000967509683
                   +0 :              -0.00000690959566
                   +1 :              -0.00001109030227
                3s
                   +0 :              -0.00014831641108
                4s
                   +0 :               0.00006994270162
                3p
                   -1 :               0.00013068973960
                   +0 :               0.00000858689114
                   +1 :               0.00008872558939
                4p
                   -1 :              -0.00006535623541
                   +0 :               0.00001015970667
                   +1 :              -0.00002707106824
                3d
                   -2 :              -0.00001876424701
                   -1 :              -0.00001306591839
                   +0 :              -0.00000209180149
                   +1 :              -0.00002079243953
                   +2 :              -0.00000766513381
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al(  6)  npairs=  15
              1 vec=     0.209286      3.115418    -10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00101215532487
                2p
                   -1 :               0.00012403732224
                   +0 :              -0.00037593942744
                   +1 :              -0.00010083100748
                3s
                   +0 :              -0.00273310907545
                4s
                   +0 :               0.00092375165115
                3p
                   -1 :              -0.00124361275437
                   +0 :               0.00155177994368
                   +1 :               0.00040487884385
                4p
                   -1 :               0.00014499846805
                   +0 :              -0.00042031619813
                   +1 :              -0.00004269215314
                3d
                   -2 :              -0.00019932476451
                   -1 :               0.00033680558397
                   +0 :               0.00021912340514
                   +1 :              -0.00010462559033
                   +2 :               0.00004108129057
              2 vec=     0.209286     -5.868340    -10.693319   |vec|=   12.199520
                2s
                   +0 :              -0.00005773142342
                2p
                   -1 :               0.00009307710860
                   +0 :               0.00003937589492
                   +1 :               0.00006799487191
                3s
                   +0 :              -0.00044829404630
                4s
                   +0 :              -0.00009934365704
                3p
                   -1 :              -0.00054718889336
                   +0 :              -0.00009854360365
                   +1 :              -0.00027178500889
                4p
                   -1 :               0.00015990739160
                   +0 :               0.00004161020400
                   +1 :               0.00017866953598
                3d
                   -2 :               0.00008875140184
                   -1 :               0.00019828336323
                   +0 :               0.00021901404627
                   +1 :              -0.00000470704683
                   +2 :              -0.00035986511413
              3 vec=    -7.570876     -1.376461    -10.693319   |vec|=   13.174213
                2s
                   +0 :              -0.00018551949596
                2p
                   -1 :               0.00000861076615
                   +0 :               0.00000596801985
                   +1 :               0.00000118109666
                3s
                   +0 :               0.00106913860657
                4s
                   +0 :              -0.00014083796261
                3p
                   -1 :              -0.00008632771874
                   +0 :              -0.00038638100800
                   +1 :              -0.00041830246650
                4p
                   -1 :               0.00000334807604
                   +0 :              -0.00000971522610
                   +1 :               0.00004330792120
                3d
                   -2 :               0.00014947888124
                   -1 :               0.00006136894074
                   +0 :              -0.00008533941168
                   +1 :               0.00010618860660
                   +2 :               0.00012650399632
              4 vec=     7.989449     -1.376461    -10.693319   |vec|=   13.419128
                2s
                   +0 :              -0.00021172809158
                2p
                   -1 :              -0.00005372711410
                   +0 :              -0.00002396591897
                   +1 :               0.00001077684404
                3s
                   +0 :               0.00150707275544
                4s
                   +0 :              -0.00005383935550
                3p
                   -1 :              -0.00025905879493
                   +0 :              -0.00026780696584
                   +1 :               0.00055951505401
                4p
                   -1 :              -0.00003056972652
                   +0 :              -0.00017317297829
                   +1 :              -0.00000168538881
                3d
                   -2 :              -0.00025592740026
                   -1 :               0.00006336387480
                   +0 :              -0.00022295222715
                   +1 :              -0.00016677596090
                   +2 :               0.00006259662533
              5 vec=     0.209286      3.115418     13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00013790893200
                2p
                   -1 :               0.00005554545768
                   +0 :               0.00000511040448
                   +1 :              -0.00001553092039
                3s
                   +0 :              -0.00024186547029
                4s
                   +0 :               0.00002860360081
                3p
                   -1 :              -0.00024724855563
                   +0 :               0.00005773095611
                   +1 :               0.00009829929514
                4p
                   -1 :               0.00005637752011
                   +0 :              -0.00004806294258
                   +1 :              -0.00004851277136
                3d
                   -2 :              -0.00001385169013
                   -1 :               0.00002572035614
                   +0 :               0.00002270994558
                   +1 :              -0.00001377879536
                   +2 :              -0.00000733826408
              6 vec=     0.209286     -5.868340     13.854224   |vec|=   15.047283
                2s
                   +0 :              -0.00003662792546
                2p
                   -1 :               0.00001822890836
                   +0 :               0.00001259928901
                   +1 :              -0.00000719690606
                3s
                   +0 :               0.00015381410799
                4s
                   +0 :               0.00002905912350
                3p
                   -1 :              -0.00021621943231
                   +0 :              -0.00004239681565
                   +1 :               0.00009407174842
                4p
                   -1 :              -0.00000232258185
                   +0 :               0.00004326817965
                   +1 :              -0.00003068087161
                3d
                   -2 :              -0.00003722539795
                   -1 :               0.00000055367233
                   +0 :              -0.00001127981343
                   +1 :               0.00001163474287
                   +2 :              -0.00005037286799
              7 vec=    -7.570876      7.607297    -10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00007565376273
                2p
                   -1 :              -0.00001789420134
                   +0 :               0.00001245282940
                   +1 :               0.00008947054163
                3s
                   +0 :               0.00023434600382
                4s
                   +0 :              -0.00024352873774
                3p
                   -1 :               0.00014699012933
                   +0 :              -0.00010137637232
                   +1 :              -0.00055050599468
                4p
                   -1 :              -0.00010719939200
                   +0 :               0.00010825227532
                   +1 :               0.00010956691959
                3d
                   -2 :              -0.00014640963226
                   -1 :              -0.00001994648249
                   +0 :               0.00002047674744
                   +1 :               0.00008737706411
                   +2 :              -0.00002029461347
              8 vec=     7.989449      7.607297    -10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00000918018965
                2p
                   -1 :              -0.00006690002585
                   +0 :              -0.00003941273976
                   +1 :               0.00001650516575
                3s
                   +0 :               0.00013194651036
                4s
                   +0 :               0.00002754979585
                3p
                   -1 :               0.00027137620490
                   +0 :               0.00014028712667
                   +1 :              -0.00015653113990
                4p
                   -1 :               0.00001510695432
                   +0 :              -0.00004348397229
                   +1 :               0.00004246625374
                3d
                   -2 :              -0.00001351691468
                   -1 :              -0.00004783480070
                   +0 :               0.00001845793008
                   +1 :               0.00004617483142
                   +2 :               0.00001643776865
              9 vec=    -7.570876     -1.376461     13.854224   |vec|=   15.847786
                2s
                   +0 :              -0.00002459873173
                2p
                   -1 :              -0.00000007027617
                   +0 :              -0.00006659693765
                   +1 :               0.00000642003475
                3s
                   +0 :              -0.00002503583358
                4s
                   +0 :              -0.00005499219019
                3p
                   -1 :              -0.00004740000050
                   +0 :               0.00036681141358
                   +1 :               0.00012933422020
                4p
                   -1 :              -0.00002696594682
                   +0 :              -0.00012652979098
                   +1 :              -0.00000268067957
                3d
                   -2 :               0.00007504286956
                   -1 :              -0.00002347432567
                   +0 :               0.00010205542951
                   +1 :               0.00000382834180
                   +2 :              -0.00004576964904
             10 vec=     7.989449     -1.376461     13.854224   |vec|=   16.051961
                2s
                   +0 :              -0.00007083382028
                2p
                   -1 :               0.00003812888210
                   +0 :              -0.00003847654563
                   +1 :              -0.00001482761305
                3s
                   +0 :              -0.00001292810791
                4s
                   +0 :              -0.00004229438430
                3p
                   -1 :              -0.00029393624965
                   +0 :               0.00011223488998
                   +1 :              -0.00018853400687
                4p
                   -1 :               0.00001775099324
                   +0 :              -0.00001850610944
                   +1 :               0.00003378151413
                3d
                   -2 :              -0.00004431717058
                   -1 :               0.00000327137291
                   +0 :               0.00007999486416
                   +1 :               0.00001773977295
                   +2 :              -0.00002055902737
             11 vec=     0.209286     12.099176    -10.693319   |vec|=   16.148712
                2s
                   +0 :               0.00007721701819
                2p
                   -1 :               0.00004049438836
                   +0 :              -0.00004038364219
                   +1 :               0.00001985470179
                3s
                   +0 :              -0.00028997086076
                4s
                   +0 :               0.00012099377383
                3p
                   -1 :              -0.00020741526098
                   +0 :               0.00021793456426
                   +1 :              -0.00010512855497
                4p
                   -1 :               0.00003751843185
                   +0 :              -0.00008033772049
                   +1 :               0.00001160955783
                3d
                   -2 :              -0.00002094138067
                   -1 :               0.00004505244227
                   +0 :               0.00000585287132
                   +1 :               0.00001916823525
                   +2 :              -0.00000534561915
             12 vec=    -7.570876    -10.360219    -10.693319   |vec|=   16.703274
                2s
                   +0 :              -0.00000065975197
                2p
                   -1 :               0.00000993783608
                   +0 :               0.00000553171035
                   +1 :               0.00001651323125
                3s
                   +0 :              -0.00011799230554
                4s
                   +0 :              -0.00002510360063
                3p
                   -1 :              -0.00006733818359
                   +0 :               0.00003689783849
                   +1 :              -0.00002889654553
                4p
                   -1 :               0.00002304140626
                   +0 :               0.00002449432589
                   +1 :               0.00002986670619
                3d
                   -2 :              -0.00001731406305
                   -1 :               0.00000030628391
                   +0 :               0.00000051294092
                   +1 :              -0.00000549097386
                   +2 :              -0.00002979507403
             13 vec=     7.989449    -10.360219    -10.693319   |vec|=   16.897115
                2s
                   +0 :               0.00002979705275
                2p
                   -1 :               0.00000931562866
                   +0 :               0.00000564495354
                   +1 :               0.00003398794302
                3s
                   +0 :              -0.00018361457480
                4s
                   +0 :              -0.00001637825675
                3p
                   -1 :              -0.00008260605370
                   +0 :               0.00004508112005
                   +1 :              -0.00018375776045
                4p
                   -1 :               0.00004809694689
                   +0 :               0.00001724797377
                   +1 :               0.00002663213763
                3d
                   -2 :               0.00002337907615
                   -1 :               0.00000143261844
                   +0 :              -0.00002703009110
                   +1 :               0.00002553839276
                   +2 :              -0.00001419025636
             14 vec=    -7.570876      7.607297     13.854224   |vec|=   17.525086
                2s
                   +0 :              -0.00007563895920
                2p
                   -1 :              -0.00000492217673
                   +0 :              -0.00000420415225
                   +1 :               0.00004222457081
                3s
                   +0 :               0.00031425363375
                4s
                   +0 :              -0.00005555745665
                3p
                   -1 :               0.00003635082306
                   +0 :               0.00003522963632
                   +1 :              -0.00026921633478
                4p
                   -1 :               0.00000798571927
                   +0 :               0.00000493546423
                   +1 :               0.00003984931849
                3d
                   -2 :              -0.00000635074934
                   -1 :               0.00000215788813
                   +0 :              -0.00004271070579
                   +1 :              -0.00002260777114
                   +2 :               0.00006448136980
             15 vec=     7.989449      7.607297     13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00009697869152
                2p
                   -1 :               0.00003952970640
                   +0 :               0.00001002701081
                   +1 :               0.00005560227935
                3s
                   +0 :              -0.00024551166516
                4s
                   +0 :               0.00005981824217
                3p
                   -1 :              -0.00016067005086
                   +0 :              -0.00000253591046
                   +1 :              -0.00021701818134
                4p
                   -1 :               0.00004046294256
                   +0 :              -0.00001531944281
                   +1 :               0.00003261673114
                3d
                   -2 :              -0.00004500892019
                   -1 :               0.00000276897237
                   +0 :               0.00001406220100
                   +1 :              -0.00003041186879
                   +2 :              -0.00001217699918
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al(  7)  npairs=  14
              1 vec=     0.209286      3.115418      1.580453   |vec|=    3.499637
                2s
                   +0 :               0.04526755839997
                2p
                   -1 :               0.04246377843492
                   +0 :               0.02835457487111
                   +1 :               0.00171732383072
                3s
                   +0 :               0.10295497640166
                4s
                   +0 :               0.01682663541400
                3p
                   -1 :               0.06519421464974
                   +0 :               0.05218554345198
                   +1 :               0.02011461016726
                4p
                   -1 :               0.02378545811814
                   +0 :               0.01329162796311
                   +1 :              -0.00313201588921
                3d
                   -2 :               0.00784008178566
                   -1 :               0.05895325075346
                   +0 :               0.00446298339833
                   +1 :               0.00447406866298
                   +2 :              -0.03685248658293
              2 vec=     0.209286     -5.868340      1.580453   |vec|=    6.081040
                2s
                   +0 :               0.00439511878784
                2p
                   -1 :              -0.00336069292429
                   +0 :               0.00143706119545
                   +1 :              -0.00037718610729
                3s
                   +0 :              -0.00589348012305
                4s
                   +0 :               0.00614638779599
                3p
                   -1 :               0.01042329258440
                   +0 :              -0.00687802141936
                   +1 :               0.00441762122409
                4p
                   -1 :              -0.00414222017935
                   +0 :               0.00246920311371
                   +1 :              -0.00124767755549
                3d
                   -2 :              -0.00193448511700
                   -1 :               0.00283118975631
                   +0 :               0.00311414859109
                   +1 :               0.00014806067690
                   +2 :               0.00435786299609
              3 vec=    -7.570876     -1.376461      1.580453   |vec|=    7.855612
                2s
                   +0 :               0.00029129611768
                2p
                   -1 :               0.00030280215203
                   +0 :              -0.00070131026559
                   +1 :              -0.00024350328176
                3s
                   +0 :               0.00175596213879
                4s
                   +0 :              -0.00004467879259
                3p
                   -1 :              -0.00070828670545
                   +0 :               0.00407368484458
                   +1 :              -0.00226009306703
                4p
                   -1 :              -0.00001910100681
                   +0 :              -0.00072786296083
                   +1 :              -0.00012540870852
                3d
                   -2 :               0.00009252666958
                   -1 :              -0.00036344168415
                   +0 :              -0.00011929654566
                   +1 :              -0.00195831928050
                   +2 :               0.00087752659098
              4 vec=     7.989449     -1.376461      1.580453   |vec|=    8.259768
                2s
                   +0 :               0.00036503435632
                2p
                   -1 :              -0.00047520341942
                   +0 :               0.00046412515196
                   +1 :              -0.00010358184169
                3s
                   +0 :              -0.00035576148413
                4s
                   +0 :               0.00074065383322
                3p
                   -1 :               0.00215149427827
                   +0 :              -0.00192413774066
                   +1 :               0.00203320819052
                4p
                   -1 :              -0.00084838866551
                   +0 :               0.00063476030973
                   +1 :               0.00010732626255
                3d
                   -2 :              -0.00008994920318
                   -1 :               0.00045262183731
                   +0 :              -0.00029340685023
                   +1 :               0.00072215054211
                   +2 :               0.00122166123051
              5 vec=    -7.570876      7.607297      1.580453   |vec|=   10.848362
                2s
                   +0 :              -0.00041083262539
                2p
                   -1 :              -0.00048679141155
                   +0 :               0.00022613787225
                   +1 :               0.00012254091433
                3s
                   +0 :               0.00113939886218
                4s
                   +0 :              -0.00025432750044
                3p
                   -1 :               0.00168106153327
                   +0 :              -0.00058058816090
                   +1 :              -0.00077384518956
                4p
                   -1 :              -0.00043344339153
                   +0 :               0.00001440344111
                   +1 :              -0.00000909216926
                3d
                   -2 :              -0.00078285355134
                   -1 :              -0.00006957472461
                   +0 :              -0.00018478373197
                   +1 :              -0.00021715021196
                   +2 :              -0.00061126701563
              6 vec=     7.989449      7.607297      1.580453   |vec|=   11.144509
                2s
                   +0 :               0.00012525513019
                2p
                   -1 :               0.00010829260148
                   +0 :              -0.00017314490621
                   +1 :              -0.00020461047078
                3s
                   +0 :               0.00002706285080
                4s
                   +0 :              -0.00069412818878
                3p
                   -1 :              -0.00046324728011
                   +0 :               0.00088873154489
                   +1 :               0.00180855888532
                4p
                   -1 :              -0.00013201598792
                   +0 :              -0.00022554485269
                   +1 :              -0.00059903008082
                3d
                   -2 :              -0.00003231775347
                   -1 :               0.00001954018573
                   +0 :              -0.00030117491201
                   +1 :               0.00060172137711
                   +2 :               0.00099606774884
              7 vec=     0.209286     12.099176      1.580453   |vec|=   12.203757
                2s
                   +0 :              -0.00012901804518
                2p
                   -1 :              -0.00008232850625
                   +0 :              -0.00003341455812
                   +1 :              -0.00013824124408
                3s
                   +0 :               0.00082659431749
                4s
                   +0 :              -0.00000985317598
                3p
                   -1 :               0.00083737970991
                   +0 :               0.00053961962594
                   +1 :               0.00067419946785
                4p
                   -1 :              -0.00014949603102
                   +0 :              -0.00000430991413
                   +1 :              -0.00031491129506
                3d
                   -2 :               0.00007410042300
                   -1 :               0.00007804215498
                   +0 :              -0.00011853157881
                   +1 :              -0.00009907534353
                   +2 :              -0.00013528627400
              8 vec=    -7.570876    -10.360219      1.580453   |vec|=   12.928656
                2s
                   +0 :               0.00007371892793
                2p
                   -1 :               0.00005201437181
                   +0 :              -0.00018710666004
                   +1 :               0.00017289963787
                3s
                   +0 :              -0.00193898987164
                4s
                   +0 :               0.00022319371865
                3p
                   -1 :              -0.00040848916918
                   +0 :              -0.00044513781930
                   +1 :               0.00073668139568
                4p
                   -1 :               0.00001977538512
                   +0 :              -0.00010899734241
                   +1 :               0.00009852265075
                3d
                   -2 :               0.00022594491952
                   -1 :              -0.00008360978779
                   +0 :              -0.00025059068802
                   +1 :               0.00053505815203
                   +2 :              -0.00045811408171
              9 vec=     7.989449    -10.360219      1.580453   |vec|=   13.178136
                2s
                   +0 :              -0.00007415725875
                2p
                   -1 :              -0.00002675153723
                   +0 :               0.00003357874094
                   +1 :              -0.00013578728323
                3s
                   +0 :              -0.00169088721913
                4s
                   +0 :              -0.00001557252453
                3p
                   -1 :               0.00047560561835
                   +0 :              -0.00162891319958
                   +1 :              -0.00078589170973
                4p
                   -1 :              -0.00000440439840
                   +0 :               0.00020487563187
                   +1 :              -0.00010469487669
                3d
                   -2 :               0.00021100204809
                   -1 :               0.00033471109120
                   +0 :              -0.00015035066822
                   +1 :              -0.00059488485407
                   +2 :              -0.00024521109847
             10 vec=     0.209286    -14.852098      1.580453   |vec|=   14.937418
                2s
                   +0 :               0.00020813745035
                2p
                   -1 :              -0.00003280528660
                   +0 :              -0.00002392422805
                   +1 :              -0.00001445626466
                3s
                   +0 :              -0.00109329005781
                4s
                   +0 :               0.00026623016313
                3p
                   -1 :               0.00028079061172
                   +0 :              -0.00008854731611
                   +1 :              -0.00000947515923
                4p
                   -1 :              -0.00006331442213
                   +0 :              -0.00004739742394
                   +1 :               0.00001500974173
                3d
                   -2 :               0.00001913501758
                   -1 :              -0.00000656724331
                   +0 :              -0.00004891077179
                   +1 :               0.00001398064474
                   +2 :              -0.00002319625723
             11 vec=   -15.351039      3.115418      1.580453   |vec|=   15.743508
                2s
                   +0 :               0.00000200107610
                2p
                   -1 :              -0.00002367365928
                   +0 :               0.00001839906372
                   +1 :              -0.00002043843874
                3s
                   +0 :               0.00003502554250
                4s
                   +0 :               0.00000413036020
                3p
                   -1 :               0.00008153948516
                   +0 :              -0.00009126495902
                   +1 :               0.00003291931999
                4p
                   -1 :              -0.00001683328598
                   +0 :               0.00002549604333
                   +1 :               0.00000078659993
                3d
                   -2 :              -0.00000155531208
                   -1 :              -0.00003066767340
                   +0 :               0.00000421896982
                   +1 :               0.00004903500687
                   +2 :               0.00000274012394
             12 vec=    15.769612      3.115418      1.580453   |vec|=   16.151913
                2s
                   +0 :              -0.00004334347837
                2p
                   -1 :               0.00001032478489
                   +0 :               0.00000784967936
                   +1 :              -0.00001385750652
                3s
                   +0 :               0.00028711484359
                4s
                   +0 :              -0.00008311451300
                3p
                   -1 :              -0.00013483274096
                   +0 :               0.00003739213319
                   +1 :               0.00013505171211
                4p
                   -1 :               0.00000781184608
                   +0 :              -0.00001352828515
                   +1 :              -0.00004985106169
                3d
                   -2 :              -0.00004203154381
                   -1 :              -0.00004776293683
                   +0 :               0.00002499845006
                   +1 :               0.00000101277526
                   +2 :              -0.00001551313123
             13 vec=   -15.351039     -5.868340      1.580453   |vec|=   16.510289
                2s
                   +0 :               0.00005405710834
                2p
                   -1 :              -0.00002863492784
                   +0 :              -0.00000238526693
                   +1 :               0.00000785778449
                3s
                   +0 :              -0.00036578450183
                4s
                   +0 :               0.00005872331271
                3p
                   -1 :               0.00021436643286
                   +0 :              -0.00010635560845
                   +1 :               0.00007126492977
                4p
                   -1 :              -0.00001903714796
                   +0 :              -0.00000881047927
                   +1 :              -0.00000794673636
                3d
                   -2 :              -0.00002403641841
                   -1 :               0.00007880231525
                   +0 :              -0.00001338441063
                   +1 :               0.00004127527887
                   +2 :               0.00001109775095
             14 vec=    15.769612     -5.868340      1.580453   |vec|=   16.900175
                2s
                   +0 :               0.00000658028902
                2p
                   -1 :              -0.00002165702848
                   +0 :              -0.00000269009319
                   +1 :              -0.00002289026128
                3s
                   +0 :              -0.00011544317775
                4s
                   +0 :               0.00003748976965
                3p
                   -1 :               0.00017056285594
                   +0 :              -0.00005182550924
                   +1 :               0.00008878295926
                4p
                   -1 :              -0.00003652441943
                   +0 :               0.00001090573657
                   +1 :              -0.00001345402909
                3d
                   -2 :               0.00001466179996
                   -1 :               0.00004529793116
                   +0 :              -0.00000196456317
                   +1 :              -0.00000157202248
                   +2 :               0.00005207234578
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al(  8)  npairs=  14
              1 vec=     0.209286      3.115418     -5.671873   |vec|=    6.474548
                2s
                   +0 :              -0.00237810050265
                2p
                   -1 :              -0.00074506054789
                   +0 :               0.00201386781390
                   +1 :              -0.00029407110976
                3s
                   +0 :               0.00691534152402
                4s
                   +0 :              -0.00462555847543
                3p
                   -1 :               0.00274162954461
                   +0 :              -0.01296701731615
                   +1 :               0.00129539490609
                4p
                   -1 :              -0.00060480555474
                   +0 :               0.00544237272805
                   +1 :              -0.00025180176554
                3d
                   -2 :               0.00042932970976
                   -1 :              -0.00178588507259
                   +0 :               0.00316010108629
                   +1 :               0.00018092999123
                   +2 :              -0.00180602606253
              2 vec=     0.209286     -5.868340     -5.671873   |vec|=    8.164029
                2s
                   +0 :              -0.00035786510062
                2p
                   -1 :               0.00004433493913
                   +0 :              -0.00049354788984
                   +1 :               0.00023022754224
                3s
                   +0 :              -0.00519330993398
                4s
                   +0 :              -0.00010194292254
                3p
                   -1 :               0.00374009227968
                   +0 :               0.00034485689896
                   +1 :              -0.00053155552546
                4p
                   -1 :               0.00020550231509
                   +0 :              -0.00046030238407
                   +1 :              -0.00000455369402
                3d
                   -2 :              -0.00043226108283
                   -1 :               0.00026856259054
                   +0 :               0.00182864070905
                   +1 :              -0.00001385284956
                   +2 :               0.00167041575064
              3 vec=    -7.570876     -1.376461     -5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00028232491020
                2p
                   -1 :               0.00004640387740
                   +0 :              -0.00023048360020
                   +1 :              -0.00076769421006
                3s
                   +0 :              -0.00090940511054
                4s
                   +0 :               0.00030799925733
                3p
                   -1 :               0.00042123028178
                   +0 :               0.00085228977395
                   +1 :               0.00382013084015
                4p
                   -1 :              -0.00017588923682
                   +0 :              -0.00022861561798
                   +1 :              -0.00095395270092
                3d
                   -2 :               0.00000799438966
                   -1 :              -0.00034960773054
                   +0 :              -0.00000208317174
                   +1 :              -0.00069783932599
                   +2 :              -0.00080365048718
              4 vec=     7.989449     -1.376461     -5.671873   |vec|=    9.894245
                2s
                   +0 :              -0.00005281992653
                2p
                   -1 :              -0.00063600303386
                   +0 :              -0.00042593208606
                   +1 :               0.00002751618530
                3s
                   +0 :              -0.00000551078729
                4s
                   +0 :               0.00003712207530
                3p
                   -1 :               0.00298814074929
                   +0 :               0.00227690790145
                   +1 :              -0.00021238121872
                4p
                   -1 :              -0.00058856817898
                   +0 :              -0.00085433426257
                   +1 :               0.00026467952979
                3d
                   -2 :               0.00028736723603
                   -1 :              -0.00015016404576
                   +0 :              -0.00028911758521
                   +1 :               0.00062626232375
                   +2 :              -0.00013471805758
              5 vec=    -7.570876      7.607297     -5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00009754758731
                2p
                   -1 :               0.00002205767679
                   +0 :              -0.00000776200251
                   +1 :              -0.00020811378734
                3s
                   +0 :              -0.00024198087620
                4s
                   +0 :               0.00034279338932
                3p
                   -1 :               0.00008817584483
                   +0 :               0.00007040722629
                   +1 :               0.00088611607792
                4p
                   -1 :               0.00006763269196
                   +0 :               0.00002214139922
                   +1 :              -0.00029344959410
                3d
                   -2 :              -0.00002131918946
                   -1 :               0.00007988642174
                   +0 :              -0.00002509540472
                   +1 :              -0.00025110065550
                   +2 :              -0.00023722225941
              6 vec=     7.989449      7.607297     -5.671873   |vec|=   12.404532
                2s
                   +0 :               0.00000970761411
                2p
                   -1 :               0.00011206434878
                   +0 :               0.00010070780129
                   +1 :              -0.00009529722594
                3s
                   +0 :               0.00042406513603
                4s
                   +0 :               0.00014520641192
                3p
                   -1 :              -0.00030309012293
                   +0 :              -0.00030153238344
                   +1 :               0.00084248937002
                4p
                   -1 :               0.00019035012367
                   +0 :               0.00006369585570
                   +1 :              -0.00006632348108
                3d
                   -2 :               0.00019223897084
                   -1 :               0.00004506751494
                   +0 :              -0.00007679735925
                   +1 :              -0.00009663525293
                   +2 :               0.00017390266776
              7 vec=     0.209286     12.099176     -5.671873   |vec|=   13.364281
                2s
                   +0 :               0.00017916183075
                2p
                   -1 :               0.00000855892250
                   +0 :               0.00000820661217
                   +1 :               0.00005360845691
                3s
                   +0 :              -0.00053754747960
                4s
                   +0 :               0.00020958212487
                3p
                   -1 :              -0.00018626906879
                   +0 :               0.00001094792145
                   +1 :              -0.00027734640991
                4p
                   -1 :               0.00009777238942
                   +0 :               0.00004556137261
                   +1 :               0.00004879493967
                3d
                   -2 :               0.00001338106542
                   -1 :              -0.00000152915933
                   +0 :               0.00010954182473
                   +1 :              -0.00010259099741
                   +2 :              -0.00006761377234
              8 vec=    -7.570876    -10.360219     -5.671873   |vec|=   14.029343
                2s
                   +0 :              -0.00001091290127
                2p
                   -1 :               0.00006032621620
                   +0 :               0.00004690564004
                   +1 :               0.00005930511658
                3s
                   +0 :              -0.00012858486601
                4s
                   +0 :               0.00001875033846
                3p
                   -1 :              -0.00017074118625
                   +0 :              -0.00018026480201
                   +1 :              -0.00038044488196
                4p
                   -1 :               0.00008833314446
                   +0 :               0.00001743786058
                   +1 :               0.00011259491992
                3d
                   -2 :               0.00010244870634
                   -1 :               0.00007069476869
                   +0 :              -0.00002236122985
                   +1 :               0.00015211991833
                   +2 :               0.00004189590446
              9 vec=     7.989449    -10.360219     -5.671873   |vec|=   14.259579
                2s
                   +0 :               0.00003708097091
                2p
                   -1 :               0.00005750282307
                   +0 :               0.00001071939449
                   +1 :              -0.00007501940579
                3s
                   +0 :              -0.00029466706056
                4s
                   +0 :               0.00008601518394
                3p
                   -1 :              -0.00027880062320
                   +0 :              -0.00006405125277
                   +1 :               0.00037487857976
                4p
                   -1 :               0.00005129383238
                   +0 :              -0.00001945605446
                   +1 :              -0.00009546394909
                3d
                   -2 :              -0.00013527229143
                   -1 :               0.00002406601395
                   +0 :              -0.00006700343975
                   +1 :              -0.00016356984063
                   +2 :              -0.00007443791557
             10 vec=     0.209286    -14.852098     -5.671873   |vec|=   15.899647
                2s
                   +0 :              -0.00017388966702
                2p
                   -1 :               0.00013665315307
                   +0 :               0.00002427028446
                   +1 :              -0.00000656041317
                3s
                   +0 :               0.00041016233832
                4s
                   +0 :              -0.00008630225052
                3p
                   -1 :              -0.00059561477257
                   +0 :              -0.00002229761208
                   +1 :               0.00003239577460
                4p
                   -1 :               0.00010794820766
                   +0 :              -0.00002839517591
                   +1 :              -0.00001353443088
                3d
                   -2 :               0.00003057499339
                   -1 :               0.00007917955039
                   +0 :              -0.00007923330529
                   +1 :              -0.00002105522651
                   +2 :              -0.00012449874838
             11 vec=   -15.351039      3.115418     -5.671873   |vec|=   16.659243
                2s
                   +0 :               0.00000634188017
                2p
                   -1 :               0.00002153390917
                   +0 :              -0.00000323904490
                   +1 :               0.00003133076455
                3s
                   +0 :              -0.00000912304593
                4s
                   +0 :               0.00000876482030
                3p
                   -1 :              -0.00003411730155
                   +0 :              -0.00008834929566
                   +1 :              -0.00015464635205
                4p
                   -1 :               0.00002450497945
                   +0 :               0.00000420976309
                   +1 :               0.00002526990346
                3d
                   -2 :              -0.00000840171557
                   -1 :               0.00000780179277
                   +0 :              -0.00001477069918
                   +1 :               0.00004823022663
                   +2 :               0.00002807790549
             12 vec=    15.769612      3.115418     -5.671873   |vec|=   17.045722
                2s
                   +0 :              -0.00004900972593
                2p
                   -1 :               0.00000399797703
                   +0 :               0.00001837191805
                   +1 :              -0.00003220292381
                3s
                   +0 :               0.00025593068609
                4s
                   +0 :              -0.00005619689898
                3p
                   -1 :              -0.00000009716778
                   +0 :              -0.00012184702573
                   +1 :               0.00020685296184
                4p
                   -1 :               0.00001807180198
                   +0 :               0.00003264649316
                   +1 :              -0.00005292842739
                3d
                   -2 :               0.00004414812345
                   -1 :              -0.00001738488040
                   +0 :               0.00000334859193
                   +1 :              -0.00004901013567
                   +2 :               0.00002675339107
             13 vec=   -15.351039     -5.868340     -5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00001580060954
                2p
                   -1 :              -0.00001074382593
                   +0 :              -0.00000468132477
                   +1 :              -0.00000640063949
                3s
                   +0 :              -0.00005096199810
                4s
                   +0 :               0.00002549820562
                3p
                   -1 :               0.00003428989068
                   +0 :               0.00005657169159
                   +1 :               0.00003778720626
                4p
                   -1 :              -0.00001798791023
                   +0 :              -0.00001658574648
                   +1 :              -0.00001241641842
                3d
                   -2 :               0.00000983281942
                   -1 :              -0.00000229502801
                   +0 :              -0.00001345390381
                   +1 :              -0.00000426959934
                   +2 :               0.00000328049537
             14 vec=    15.769612     -5.868340     -5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00001219888175
                2p
                   -1 :              -0.00001399023740
                   +0 :              -0.00000665202050
                   +1 :              -0.00000665317919
                3s
                   +0 :              -0.00002629816110
                4s
                   +0 :              -0.00001288875727
                3p
                   -1 :               0.00003278470257
                   +0 :               0.00004362111430
                   +1 :               0.00002274253809
                4p
                   -1 :               0.00000330025379
                   +0 :              -0.00000422271846
                   +1 :              -0.00002105484471
                3d
                   -2 :              -0.00000369312644
                   -1 :              -0.00001866420040
                   +0 :               0.00001357889832
                   +1 :              -0.00000736617133
                   +2 :               0.00000651058836
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al(  9)  npairs=  13
              1 vec=    -2.384101     -1.376461     -9.762967   |vec|=   10.143673
                2s
                   +0 :               0.00000764988631
                2p
                   -1 :              -0.00011576574333
                   +0 :               0.00002430655549
                   +1 :              -0.00005585617766
                3s
                   +0 :              -0.00011565814550
                4s
                   +0 :               0.00010982029857
                3p
                   -1 :              -0.00002048447333
                   +0 :              -0.00008256498156
                   +1 :               0.00010642239194
                4p
                   -1 :               0.00005921121925
                   +0 :              -0.00004658824798
                   +1 :               0.00004756125245
                3d
                   -2 :              -0.00022083314118
                   -1 :              -0.00000035969430
                   +0 :               0.00007682962216
                   +1 :               0.00017543822036
                   +2 :               0.00030800282937
              2 vec=     5.396061      3.115418     -9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00029642304809
                2p
                   -1 :               0.00025255839055
                   +0 :               0.00010341853929
                   +1 :               0.00011668036322
                3s
                   +0 :               0.00147597911603
                4s
                   +0 :              -0.00046930380919
                3p
                   -1 :              -0.00119371952334
                   +0 :              -0.00074859121723
                   +1 :              -0.00071569984919
                4p
                   -1 :               0.00041271518295
                   +0 :               0.00017478421570
                   +1 :               0.00011269349094
                3d
                   -2 :              -0.00018099229614
                   -1 :               0.00031007242430
                   +0 :               0.00014869924447
                   +1 :              -0.00001036130772
                   +2 :              -0.00015736584829
              3 vec=    -2.384101      7.607297     -9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00018846174521
                2p
                   -1 :              -0.00006777006217
                   +0 :              -0.00000814145754
                   +1 :              -0.00011038839394
                3s
                   +0 :               0.00094630771247
                4s
                   +0 :              -0.00013518027759
                3p
                   -1 :               0.00071309502910
                   +0 :               0.00002328827312
                   +1 :               0.00028890767738
                4p
                   -1 :              -0.00005054732703
                   +0 :              -0.00005745684816
                   +1 :              -0.00015704989248
                3d
                   -2 :              -0.00005239494616
                   -1 :              -0.00003920133559
                   +0 :              -0.00010548427295
                   +1 :              -0.00000162551278
                   +2 :              -0.00010782766680
              4 vec=     5.396061     -5.868340     -9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00023884051395
                2p
                   -1 :               0.00008440648212
                   +0 :               0.00000269184669
                   +1 :              -0.00010810912540
                3s
                   +0 :              -0.00205534611007
                4s
                   +0 :               0.00021817705218
                3p
                   -1 :              -0.00008960359469
                   +0 :               0.00025150603690
                   +1 :              -0.00086159621609
                4p
                   -1 :               0.00014780031066
                   +0 :               0.00010831724263
                   +1 :              -0.00001863656407
                3d
                   -2 :               0.00011047777911
                   -1 :               0.00003923626294
                   +0 :               0.00027682934959
                   +1 :               0.00010305719352
                   +2 :              -0.00037174389306
              5 vec=   -10.164264      3.115418     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00019756581964
                2p
                   -1 :              -0.00002567099652
                   +0 :              -0.00003066870257
                   +1 :               0.00007180645468
                3s
                   +0 :              -0.00071023886973
                4s
                   +0 :               0.00009790642019
                3p
                   -1 :               0.00034448447974
                   +0 :               0.00005418132877
                   +1 :              -0.00049002509388
                4p
                   -1 :              -0.00006815069605
                   +0 :               0.00004659514624
                   +1 :               0.00013569614969
                3d
                   -2 :              -0.00003395426106
                   -1 :              -0.00006733679703
                   +0 :               0.00003804855816
                   +1 :               0.00012928255919
                   +2 :               0.00027394302869
              6 vec=    -2.384101    -10.360219     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00017778860309
                2p
                   -1 :              -0.00000460702105
                   +0 :              -0.00005802375432
                   +1 :              -0.00006026652510
                3s
                   +0 :              -0.00083721115903
                4s
                   +0 :               0.00020063439482
                3p
                   -1 :               0.00001765274585
                   +0 :               0.00044868608064
                   +1 :               0.00035777418636
                4p
                   -1 :               0.00001339017973
                   +0 :              -0.00011540362509
                   +1 :              -0.00003618778312
                3d
                   -2 :              -0.00005704477875
                   -1 :              -0.00004120312629
                   +0 :               0.00000044196094
                   +1 :              -0.00006607256883
                   +2 :              -0.00005240035960
              7 vec=    -2.384101     -1.376461     14.784576   |vec|=   15.038692
                2s
                   +0 :              -0.00004884301167
                2p
                   -1 :              -0.00002331938874
                   +0 :              -0.00001991026810
                   +1 :               0.00000465159659
                3s
                   +0 :               0.00016434785202
                4s
                   +0 :              -0.00006879139256
                3p
                   -1 :               0.00012146570734
                   +0 :               0.00005176776939
                   +1 :              -0.00009179498495
                4p
                   -1 :               0.00000600136042
                   +0 :              -0.00002512599264
                   +1 :               0.00001479434126
                3d
                   -2 :              -0.00006239966294
                   -1 :               0.00001925076420
                   +0 :               0.00000128695511
                   +1 :               0.00000616813023
                   +2 :               0.00000601989606
              8 vec=   -10.164264     -5.868340     -9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00013152374633
                2p
                   -1 :               0.00004964113498
                   +0 :               0.00004046820944
                   +1 :               0.00002883200564
                3s
                   +0 :               0.00056650302765
                4s
                   +0 :              -0.00009683476899
                3p
                   -1 :              -0.00035590975241
                   +0 :              -0.00023509976562
                   +1 :              -0.00022485316233
                4p
                   -1 :               0.00007578583077
                   +0 :               0.00002991947533
                   +1 :               0.00000725235837
                3d
                   -2 :               0.00009990447692
                   -1 :               0.00006459731851
                   +0 :              -0.00002747969996
                   +1 :               0.00008608550779
                   +2 :              -0.00001711372763
              9 vec=     5.396061      3.115418     14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00000027855063
                2p
                   -1 :              -0.00004962292560
                   +0 :              -0.00001290638278
                   +1 :               0.00001156243106
                3s
                   +0 :               0.00012986678210
                4s
                   +0 :              -0.00006515955746
                3p
                   -1 :               0.00022261447998
                   +0 :               0.00014321048647
                   +1 :              -0.00009499834838
                4p
                   -1 :              -0.00005325194319
                   +0 :              -0.00004217082200
                   +1 :               0.00001730495953
                3d
                   -2 :              -0.00003781783513
                   -1 :               0.00002369585191
                   +0 :               0.00004094014017
                   +1 :               0.00002022416135
                   +2 :               0.00000083328289
             10 vec=     5.396061     12.099176     -9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00002360839394
                2p
                   -1 :              -0.00000840970412
                   +0 :               0.00002703584678
                   +1 :              -0.00005838299308
                3s
                   +0 :               0.00022149081660
                4s
                   +0 :              -0.00007361882095
                3p
                   -1 :               0.00008290458328
                   +0 :              -0.00016611874762
                   +1 :               0.00035740203712
                4p
                   -1 :              -0.00002011717531
                   +0 :               0.00004974712865
                   +1 :              -0.00007672044956
                3d
                   -2 :               0.00009299533401
                   -1 :              -0.00006772135268
                   +0 :               0.00000853554642
                   +1 :              -0.00005653433765
                   +2 :              -0.00006455580085
             11 vec=    13.176224     -1.376461     -9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00005758720342
                2p
                   -1 :              -0.00001706590996
                   +0 :               0.00001797042864
                   +1 :              -0.00002831346353
                3s
                   +0 :               0.00029535159847
                4s
                   +0 :              -0.00004022253427
                3p
                   -1 :               0.00007007046796
                   +0 :              -0.00019403153077
                   +1 :               0.00014341066524
                4p
                   -1 :              -0.00005397754768
                   +0 :               0.00002165136153
                   +1 :              -0.00003368728604
                3d
                   -2 :               0.00000603611957
                   -1 :               0.00001071241676
                   +0 :               0.00003332499248
                   +1 :              -0.00004302340028
                   +2 :               0.00002921757766
             12 vec=    -2.384101      7.607297     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00004742632733
                2p
                   -1 :               0.00001279059524
                   +0 :               0.00000006092796
                   +1 :              -0.00006231627661
                3s
                   +0 :               0.00009971931200
                4s
                   +0 :               0.00003399316255
                3p
                   -1 :              -0.00007181202058
                   +0 :              -0.00007705809678
                   +1 :               0.00028113405164
                4p
                   -1 :               0.00001857976246
                   +0 :               0.00005385016679
                   +1 :              -0.00006745140006
                3d
                   -2 :              -0.00002246310619
                   -1 :              -0.00004325738427
                   +0 :              -0.00008868007858
                   +1 :               0.00003025998863
                   +2 :               0.00004711696171
             13 vec=     5.396061     -5.868340     14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00007209102831
                2p
                   -1 :              -0.00002374357409
                   +0 :               0.00003085184134
                   +1 :              -0.00002531877877
                3s
                   +0 :              -0.00011286442556
                4s
                   +0 :               0.00003905258505
                3p
                   -1 :               0.00004717985402
                   +0 :              -0.00002972955449
                   +1 :               0.00014473014223
                4p
                   -1 :              -0.00000793072054
                   +0 :               0.00001904885061
                   +1 :              -0.00002799918697
                3d
                   -2 :              -0.00002928906519
                   -1 :              -0.00002748705963
                   +0 :               0.00004048559240
                   +1 :               0.00002569962955
                   +2 :               0.00002996160813
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al( 10)  npairs=  14
              1 vec=    -2.384101     -1.376461     -2.510641   |vec|=    3.725842
                2s
                   +0 :              -0.00877376041959
                2p
                   -1 :               0.00373706567227
                   +0 :               0.01017618234663
                   +1 :               0.00963393961076
                3s
                   +0 :              -0.03015725244146
                4s
                   +0 :              -0.00160676290040
                3p
                   -1 :              -0.01808733478577
                   +0 :               0.02997868683861
                   +1 :               0.02592382019937
                4p
                   -1 :               0.00503610654307
                   +0 :               0.00295123770242
                   +1 :               0.00174763450057
                3d
                   -2 :               0.00555323835784
                   -1 :               0.00438785904954
                   +0 :              -0.01256372734574
                   +1 :              -0.02504980875848
                   +2 :              -0.01952537886871
              2 vec=     5.396061      3.115418     -2.510641   |vec|=    6.717635
                2s
                   +0 :               0.00220182034805
                2p
                   -1 :               0.00064304975734
                   +0 :              -0.00022398182483
                   +1 :               0.00066347849132
                3s
                   +0 :              -0.01573367396239
                4s
                   +0 :               0.00477859259792
                3p
                   -1 :              -0.00507397823614
                   +0 :               0.00614482564511
                   +1 :              -0.00939799690264
                4p
                   -1 :               0.00102233418872
                   +0 :              -0.00155215462380
                   +1 :               0.00161097114162
                3d
                   -2 :               0.00040978048523
                   -1 :               0.00201333514495
                   +0 :              -0.00034912601444
                   +1 :               0.00004022761223
                   +2 :              -0.00183094046814
              3 vec=    -2.384101      7.607297     -2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00110259115977
                2p
                   -1 :               0.00100941735434
                   +0 :               0.00044518014269
                   +1 :              -0.00069045136482
                3s
                   +0 :               0.00032721919144
                4s
                   +0 :               0.00119298307212
                3p
                   -1 :              -0.00507881038397
                   +0 :              -0.00692416789345
                   +1 :               0.00488829069208
                4p
                   -1 :               0.00204243668418
                   +0 :               0.00069511585213
                   +1 :              -0.00017185744001
                3d
                   -2 :               0.00201874436126
                   -1 :              -0.00146329046121
                   +0 :               0.00340123424946
                   +1 :              -0.00118244027915
                   +2 :               0.00096870977642
              4 vec=     5.396061     -5.868340     -2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00069332253378
                2p
                   -1 :              -0.00005379422521
                   +0 :              -0.00057429857988
                   +1 :               0.00063898024111
                3s
                   +0 :              -0.00751869286191
                4s
                   +0 :               0.00108083539872
                3p
                   -1 :              -0.00120098818963
                   +0 :               0.00773037395991
                   +1 :              -0.00553513943531
                4p
                   -1 :               0.00026312554110
                   +0 :              -0.00101300081016
                   +1 :               0.00094433764160
                3d
                   -2 :              -0.00084873146073
                   -1 :              -0.00009052745209
                   +0 :              -0.00134604309105
                   +1 :               0.00201065259213
                   +2 :              -0.00129255715986
              5 vec=   -10.164264      3.115418     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00000062867697
                2p
                   -1 :              -0.00012216857286
                   +0 :              -0.00017631641315
                   +1 :              -0.00016722366245
                3s
                   +0 :               0.00106545576252
                4s
                   +0 :              -0.00011570209562
                3p
                   -1 :               0.00094582139388
                   +0 :               0.00069656771886
                   +1 :              -0.00006691663175
                4p
                   -1 :              -0.00011969439644
                   +0 :              -0.00026043667386
                   +1 :              -0.00004450225903
                3d
                   -2 :              -0.00008769555849
                   -1 :               0.00009431083421
                   +0 :               0.00017360138933
                   +1 :               0.00007809662157
                   +2 :              -0.00005722499430
              6 vec=    -2.384101    -10.360219     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00002750397501
                2p
                   -1 :              -0.00007007823412
                   +0 :              -0.00005358648772
                   +1 :              -0.00016555956329
                3s
                   +0 :              -0.00026389133241
                4s
                   +0 :               0.00003486947197
                3p
                   -1 :               0.00058454893079
                   +0 :               0.00029708777905
                   +1 :               0.00056412021912
                4p
                   -1 :              -0.00018435616431
                   +0 :              -0.00003381534304
                   +1 :              -0.00008676018428
                3d
                   -2 :              -0.00023746815975
                   -1 :              -0.00032110734925
                   +0 :               0.00023970398998
                   +1 :               0.00029541105617
                   +2 :               0.00004323283661
              7 vec=   -10.164264     -5.868340     -2.510641   |vec|=   12.002208
                2s
                   +0 :              -0.00013408950682
                2p
                   -1 :               0.00003169573102
                   +0 :               0.00016063263456
                   +1 :               0.00007584832548
                3s
                   +0 :               0.00029107099813
                4s
                   +0 :              -0.00029918313439
                3p
                   -1 :               0.00005782145217
                   +0 :              -0.00029761773168
                   +1 :              -0.00031605359206
                4p
                   -1 :               0.00010576134498
                   +0 :               0.00011998253079
                   +1 :               0.00010988020902
                3d
                   -2 :              -0.00001001645201
                   -1 :              -0.00016161885853
                   +0 :               0.00001551875980
                   +1 :               0.00007424424542
                   +2 :               0.00011460600989
              8 vec=     5.396061     12.099176     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00016575512162
                2p
                   -1 :              -0.00005969679157
                   +0 :               0.00005045829432
                   +1 :               0.00007175100186
                3s
                   +0 :               0.00168432863676
                4s
                   +0 :              -0.00042993850493
                3p
                   -1 :               0.00093583346892
                   +0 :              -0.00103237942377
                   +1 :              -0.00050641999252
                4p
                   -1 :              -0.00021646056745
                   +0 :               0.00011526073786
                   +1 :               0.00008518645633
                3d
                   -2 :              -0.00009642178577
                   -1 :              -0.00037810085027
                   +0 :               0.00026609935647
                   +1 :               0.00001755079384
                   +2 :              -0.00022181145420
              9 vec=    13.176224     -1.376461     -2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00009308838714
                2p
                   -1 :               0.00013769472160
                   +0 :               0.00002170156083
                   +1 :               0.00011709389095
                3s
                   +0 :              -0.00030420349408
                4s
                   +0 :               0.00011159626923
                3p
                   -1 :              -0.00066144307691
                   +0 :               0.00001070167017
                   +1 :              -0.00060960370902
                4p
                   -1 :               0.00016841468431
                   +0 :              -0.00010085124242
                   +1 :               0.00016772343804
                3d
                   -2 :              -0.00021989896601
                   -1 :               0.00009234617278
                   +0 :               0.00016073890404
                   +1 :              -0.00002963334518
                   +2 :              -0.00015715409479
             10 vec=    13.176224      7.607297     -2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00007111698230
                2p
                   -1 :              -0.00001727566794
                   +0 :               0.00002784596335
                   +1 :              -0.00004810130898
                3s
                   +0 :               0.00031228494649
                4s
                   +0 :              -0.00009336904934
                3p
                   -1 :               0.00005536633164
                   +0 :              -0.00021459094956
                   +1 :               0.00023652019135
                4p
                   -1 :              -0.00001994975736
                   +0 :               0.00007327187041
                   +1 :              -0.00006085577204
                3d
                   -2 :               0.00000102645545
                   -1 :              -0.00000850522949
                   +0 :              -0.00003788319798
                   +1 :              -0.00004880715699
                   +2 :              -0.00000045222823
             11 vec=   -10.164264     12.099176     -2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00008204276681
                2p
                   -1 :              -0.00007896113969
                   +0 :              -0.00003254281782
                   +1 :               0.00005387836553
                3s
                   +0 :               0.00020759831189
                4s
                   +0 :              -0.00009376639335
                3p
                   -1 :               0.00030061410489
                   +0 :               0.00016167593022
                   +1 :              -0.00022277109620
                4p
                   -1 :              -0.00009134648711
                   +0 :              -0.00000547859507
                   +1 :               0.00006988849967
                3d
                   -2 :              -0.00003042631938
                   -1 :               0.00003618706983
                   +0 :              -0.00005381061971
                   +1 :               0.00000056457590
                   +2 :               0.00003387701937
             12 vec=     5.396061    -14.852098     -2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00001475549052
                2p
                   -1 :              -0.00002910794461
                   +0 :               0.00002909082395
                   +1 :              -0.00003664042595
                3s
                   +0 :              -0.00009705136616
                4s
                   +0 :               0.00009741615908
                3p
                   -1 :               0.00018102216284
                   +0 :              -0.00007798916398
                   +1 :               0.00012268383657
                4p
                   -1 :              -0.00009049599687
                   +0 :               0.00000909590995
                   +1 :              -0.00001168339612
                3d
                   -2 :               0.00001329726417
                   -1 :              -0.00001883089096
                   +0 :              -0.00001896417979
                   +1 :              -0.00002104261890
                   +2 :               0.00001624296009
             13 vec=    -2.384101     16.591055     -2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00004720232613
                2p
                   -1 :               0.00002847243659
                   +0 :              -0.00003288415090
                   +1 :              -0.00001797604827
                3s
                   +0 :              -0.00007092437202
                4s
                   +0 :               0.00006458284896
                3p
                   -1 :              -0.00011177672440
                   +0 :               0.00012427710127
                   +1 :               0.00004808754415
                4p
                   -1 :               0.00003080887478
                   +0 :              -0.00004917918386
                   +1 :              -0.00000681380464
                3d
                   -2 :               0.00000198333564
                   -1 :               0.00001743760117
                   +0 :              -0.00002058803556
                   +1 :               0.00004054598338
                   +2 :              -0.00000038112860
             14 vec=    13.176224    -10.360219     -2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00000744630862
                2p
                   -1 :               0.00000357854715
                   +0 :               0.00000528994712
                   +1 :               0.00000402946794
                3s
                   +0 :              -0.00011548780563
                4s
                   +0 :               0.00004452515131
                3p
                   -1 :              -0.00002284119326
                   +0 :              -0.00000353380797
                   +1 :              -0.00004773556668
                4p
                   -1 :               0.00002167500930
                   +0 :               0.00001242024729
                   +1 :               0.00003155128490
                3d
                   -2 :               0.00000915441555
                   -1 :              -0.00000748076330
                   +0 :              -0.00002692128036
                   +1 :               0.00000619222119
                   +2 :              -0.00002508833867
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al( 11)  npairs=  13
              1 vec=    -2.384101     -1.376461      9.763130   |vec|=   10.143831
                2s
                   +0 :               0.00004833493438
                2p
                   -1 :               0.00000080619380
                   +0 :               0.00011847217528
                   +1 :              -0.00019908478669
                3s
                   +0 :               0.00054730612592
                4s
                   +0 :              -0.00024110024091
                3p
                   -1 :              -0.00051872644433
                   +0 :              -0.00008446334252
                   +1 :               0.00055926888293
                4p
                   -1 :               0.00008124610017
                   +0 :              -0.00007551360117
                   +1 :              -0.00028621319286
                3d
                   -2 :              -0.00003502201509
                   -1 :              -0.00006373180204
                   +0 :              -0.00003783412709
                   +1 :              -0.00005712451461
                   +2 :              -0.00028790050849
              2 vec=     5.396061      3.115418      9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00034258966188
                2p
                   -1 :               0.00019351643937
                   +0 :              -0.00008144441574
                   +1 :              -0.00044307123430
                3s
                   +0 :               0.00120198040264
                4s
                   +0 :              -0.00048619814789
                3p
                   -1 :              -0.00061771228228
                   +0 :               0.00065825332026
                   +1 :               0.00213089338612
                4p
                   -1 :               0.00003257972620
                   +0 :              -0.00034215841756
                   +1 :              -0.00052873135454
                3d
                   -2 :              -0.00006347568326
                   -1 :              -0.00025582807273
                   +0 :               0.00004543298189
                   +1 :               0.00038420181842
                   +2 :               0.00010902452115
              3 vec=    -2.384101      7.607297      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00000136420491
                2p
                   -1 :               0.00035777571939
                   +0 :               0.00012475644471
                   +1 :               0.00005876404966
                3s
                   +0 :               0.00072586494394
                4s
                   +0 :               0.00013633285442
                3p
                   -1 :              -0.00073155590697
                   +0 :              -0.00054533654273
                   +1 :               0.00007144828277
                4p
                   -1 :               0.00028639234829
                   +0 :               0.00040024328123
                   +1 :              -0.00014947073355
                3d
                   -2 :               0.00021983163861
                   -1 :              -0.00010644651370
                   +0 :              -0.00012205543681
                   +1 :               0.00006106555900
                   +2 :              -0.00021663184314
              4 vec=     5.396061     -5.868340      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00000349208649
                2p
                   -1 :               0.00010337332776
                   +0 :               0.00000173331720
                   +1 :              -0.00005586473981
                3s
                   +0 :              -0.00152488358118
                4s
                   +0 :               0.00010773577103
                3p
                   -1 :               0.00046810500264
                   +0 :              -0.00040476904105
                   +1 :              -0.00088760007018
                4p
                   -1 :               0.00013678891417
                   +0 :               0.00003108025040
                   +1 :               0.00005288336710
                3d
                   -2 :               0.00033886261307
                   -1 :               0.00020600431662
                   +0 :               0.00018064496798
                   +1 :              -0.00013564486670
                   +2 :              -0.00007823569942
              5 vec=   -10.164264      3.115418      9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00001019949494
                2p
                   -1 :               0.00003846312019
                   +0 :              -0.00000153132630
                   +1 :               0.00009856147599
                3s
                   +0 :               0.00005554551297
                4s
                   +0 :              -0.00002224958167
                3p
                   -1 :              -0.00015069655152
                   +0 :               0.00009562273508
                   +1 :              -0.00063479873931
                4p
                   -1 :              -0.00004576688664
                   +0 :              -0.00004424050509
                   +1 :               0.00013720629411
                3d
                   -2 :              -0.00005084067399
                   -1 :              -0.00006080327946
                   +0 :              -0.00003216848341
                   +1 :              -0.00016935229306
                   +2 :               0.00019993141015
              6 vec=    -2.384101    -10.360219      9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00004047773383
                2p
                   -1 :              -0.00008410291053
                   +0 :               0.00003090320163
                   +1 :              -0.00006200757484
                3s
                   +0 :              -0.00025711543929
                4s
                   +0 :               0.00016074871508
                3p
                   -1 :               0.00034715579486
                   +0 :              -0.00024677286083
                   +1 :               0.00037764069592
                4p
                   -1 :              -0.00011882676227
                   +0 :               0.00010691809454
                   +1 :              -0.00005144972598
                3d
                   -2 :              -0.00005252579728
                   -1 :               0.00005928019602
                   +0 :              -0.00003054382419
                   +1 :               0.00004157824942
                   +2 :               0.00002810841537
              7 vec=    -2.384101     -1.376461    -14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00002988293726
                2p
                   -1 :               0.00004050400881
                   +0 :              -0.00001977713722
                   +1 :              -0.00003547500803
                3s
                   +0 :              -0.00016759130445
                4s
                   +0 :               0.00007495305131
                3p
                   -1 :              -0.00011526128614
                   +0 :               0.00014880302291
                   +1 :               0.00019754905385
                4p
                   -1 :               0.00000386550570
                   +0 :              -0.00005171391152
                   +1 :              -0.00003222391640
                3d
                   -2 :              -0.00002422044865
                   -1 :               0.00000778467453
                   +0 :              -0.00003490123934
                   +1 :              -0.00004319227980
                   +2 :              -0.00007058142981
              8 vec=   -10.164264     -5.868340      9.763130   |vec|=   15.266578
                2s
                   +0 :              -0.00023368272135
                2p
                   -1 :               0.00001259852159
                   +0 :              -0.00010017630470
                   +1 :               0.00016325662580
                3s
                   +0 :               0.00069212516575
                4s
                   +0 :              -0.00017477199885
                3p
                   -1 :               0.00006662490188
                   +0 :               0.00042370253356
                   +1 :              -0.00083149601456
                4p
                   -1 :              -0.00004850043618
                   +0 :              -0.00009273397992
                   +1 :               0.00019030341906
                3d
                   -2 :               0.00012520128356
                   -1 :              -0.00006361501139
                   +0 :              -0.00001706591682
                   +1 :              -0.00015798536039
                   +2 :               0.00010339642834
              9 vec=     5.396061      3.115418    -14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00012285861845
                2p
                   -1 :              -0.00004123605348
                   +0 :               0.00002104121306
                   +1 :              -0.00000004871289
                3s
                   +0 :               0.00050973487639
                4s
                   +0 :              -0.00009875271306
                3p
                   -1 :               0.00020699254237
                   +0 :              -0.00008810548995
                   +1 :              -0.00015562072713
                4p
                   -1 :              -0.00003165773755
                   +0 :              -0.00000043029388
                   +1 :               0.00001778008101
                3d
                   -2 :               0.00001738522594
                   -1 :               0.00000111793473
                   +0 :              -0.00004380249093
                   +1 :               0.00004548044615
                   +2 :               0.00003049003252
             10 vec=     5.396061     12.099176      9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00006835112894
                2p
                   -1 :               0.00010487381845
                   +0 :               0.00000644024055
                   +1 :               0.00001521744994
                3s
                   +0 :              -0.00012596954211
                4s
                   +0 :               0.00006343070129
                3p
                   -1 :              -0.00039491590669
                   +0 :               0.00001496478343
                   +1 :              -0.00009042054985
                4p
                   -1 :               0.00008110106678
                   +0 :              -0.00000832075446
                   +1 :               0.00004826584881
                3d
                   -2 :              -0.00006694609419
                   -1 :              -0.00003353990624
                   +0 :               0.00000276862419
                   +1 :               0.00000473452566
                   +2 :               0.00001385921174
             11 vec=    13.176224     -1.376461      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00000588792485
                2p
                   -1 :               0.00000564495496
                   +0 :              -0.00000801816741
                   +1 :              -0.00002044567316
                3s
                   +0 :              -0.00000588901568
                4s
                   +0 :               0.00002981961932
                3p
                   -1 :              -0.00008697766298
                   +0 :               0.00003330906033
                   +1 :               0.00005370589448
                4p
                   -1 :               0.00003587435429
                   +0 :               0.00002072444030
                   +1 :               0.00001046164060
                3d
                   -2 :              -0.00000629285774
                   -1 :              -0.00000432330151
                   +0 :               0.00002228314301
                   +1 :               0.00003085570671
                   +2 :               0.00002088558522
             12 vec=    -2.384101      7.607297    -14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00010805658590
                2p
                   -1 :               0.00000263405462
                   +0 :               0.00002242312480
                   +1 :               0.00004585976655
                3s
                   +0 :               0.00045753375566
                4s
                   +0 :              -0.00009876160293
                3p
                   -1 :               0.00003571614735
                   +0 :              -0.00011640398177
                   +1 :              -0.00031324647422
                4p
                   -1 :              -0.00000357482293
                   +0 :               0.00000616481257
                   +1 :               0.00003431321849
                3d
                   -2 :              -0.00007633376196
                   -1 :              -0.00000880645285
                   +0 :              -0.00005012479292
                   +1 :               0.00004766855501
                   +2 :               0.00005218804003
             13 vec=     5.396061     -5.868340    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00004895609234
                2p
                   -1 :               0.00001959550921
                   +0 :              -0.00000409521323
                   +1 :               0.00001641306440
                3s
                   +0 :              -0.00014789855723
                4s
                   +0 :              -0.00001244783459
                3p
                   -1 :              -0.00025727111025
                   +0 :              -0.00008187203071
                   +1 :              -0.00013010259877
                4p
                   -1 :               0.00003397462266
                   +0 :               0.00002807318311
                   +1 :               0.00000742940341
                3d
                   -2 :              -0.00006884387141
                   -1 :               0.00006776195383
                   +0 :               0.00008381445384
                   +1 :              -0.00001320371892
                   +2 :              -0.00000091270406
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site Al( 12)  npairs=  14
              1 vec=    -2.384101     -1.376461      2.510804   |vec|=    3.725953
                2s
                   +0 :              -0.01398130524002
                2p
                   -1 :               0.00366344873539
                   +0 :              -0.01139708013414
                   +1 :               0.01383870570083
                3s
                   +0 :              -0.03881781727308
                4s
                   +0 :              -0.00703073168628
                3p
                   -1 :              -0.00703759336949
                   +0 :              -0.03197589847026
                   +1 :               0.02135783496675
                4p
                   -1 :               0.00328275547370
                   +0 :              -0.00546874214990
                   +1 :               0.00823084514235
                3d
                   -2 :              -0.00047190148766
                   -1 :              -0.00182785832747
                   +0 :              -0.01071405191326
                   +1 :               0.02875610732750
                   +2 :              -0.02158803168824
              2 vec=     5.396061      3.115418      2.510804   |vec|=    6.717696
                2s
                   +0 :              -0.00411972736652
                2p
                   -1 :              -0.00042340830184
                   +0 :              -0.00138860213198
                   +1 :              -0.00287616802279
                3s
                   +0 :               0.01617694963438
                4s
                   +0 :              -0.00923060291259
                3p
                   -1 :               0.00070032905907
                   +0 :               0.00719390220838
                   +1 :               0.01182302113587
                4p
                   -1 :              -0.00102461459764
                   +0 :              -0.00293970729910
                   +1 :              -0.00488188273083
                3d
                   -2 :               0.00067935355306
                   -1 :              -0.00059647786965
                   +0 :               0.00080689395446
                   +1 :               0.00220521273296
                   +2 :              -0.00066087098189
              3 vec=    -2.384101      7.607297      2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00118294688659
                2p
                   -1 :              -0.00084871995915
                   +0 :              -0.00058716397836
                   +1 :              -0.00055893984422
                3s
                   +0 :               0.00658371762663
                4s
                   +0 :               0.00105884329607
                3p
                   -1 :               0.00289444527570
                   +0 :               0.00760276726925
                   +1 :               0.00808563846161
                4p
                   -1 :               0.00090680323795
                   +0 :              -0.00046827544597
                   +1 :              -0.00257771368252
                3d
                   -2 :               0.00234766706643
                   -1 :               0.00122740483002
                   +0 :               0.00177197352993
                   +1 :               0.00173977822294
                   +2 :               0.00018449154183
              4 vec=     5.396061     -5.868340      2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00038791391892
                2p
                   -1 :               0.00033151426342
                   +0 :               0.00011267721148
                   +1 :              -0.00052630489684
                3s
                   +0 :              -0.00250439584076
                4s
                   +0 :              -0.00052768059155
                3p
                   -1 :              -0.00286117335625
                   +0 :              -0.00458375070092
                   +1 :               0.00118459534347
                4p
                   -1 :               0.00048981099138
                   +0 :               0.00016107017102
                   +1 :              -0.00109777289527
                3d
                   -2 :              -0.00117170721895
                   -1 :              -0.00015068960031
                   +0 :              -0.00236591603066
                   +1 :              -0.00159950643640
                   +2 :              -0.00034112339678
              5 vec=   -10.164264      3.115418      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00022257886379
                2p
                   -1 :               0.00011771274743
                   +0 :              -0.00000831328324
                   +1 :               0.00008008129338
                3s
                   +0 :              -0.00017456827377
                4s
                   +0 :               0.00034929124602
                3p
                   -1 :              -0.00047589713836
                   +0 :               0.00030601492929
                   +1 :              -0.00094759954785
                4p
                   -1 :               0.00014778954638
                   +0 :              -0.00004373910576
                   +1 :               0.00014716862471
                3d
                   -2 :               0.00009622910646
                   -1 :               0.00024112355494
                   +0 :              -0.00000115902561
                   +1 :              -0.00010380494886
                   +2 :               0.00032627812689
              6 vec=    -2.384101    -10.360219      2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00068907704488
                2p
                   -1 :               0.00028044471899
                   +0 :              -0.00002555180162
                   +1 :               0.00024696713510
                3s
                   +0 :               0.00052657153377
                4s
                   +0 :               0.00030743014802
                3p
                   -1 :               0.00034482234409
                   +0 :               0.00026630872811
                   +1 :              -0.00111026638858
                4p
                   -1 :              -0.00044136402422
                   +0 :               0.00001164331270
                   +1 :               0.00012518637125
                3d
                   -2 :               0.00005368196074
                   -1 :               0.00018425265758
                   +0 :              -0.00011047300027
                   +1 :              -0.00026290762529
                   +2 :               0.00024183555713
              7 vec=   -10.164264     -5.868340      2.510804   |vec|=   12.002242
                2s
                   +0 :              -0.00025933987719
                2p
                   -1 :               0.00002379418238
                   +0 :              -0.00001971990406
                   +1 :               0.00006411856998
                3s
                   +0 :               0.00050080173930
                4s
                   +0 :              -0.00022697608676
                3p
                   -1 :               0.00003699494079
                   +0 :              -0.00023127086326
                   +1 :              -0.00016852459402
                4p
                   -1 :               0.00015417726495
                   +0 :              -0.00004615051579
                   +1 :              -0.00001018035355
                3d
                   -2 :              -0.00041415066283
                   -1 :               0.00016679997033
                   +0 :              -0.00012573635045
                   +1 :               0.00003351606927
                   +2 :               0.00033442920985
              8 vec=     5.396061     12.099176      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00004263972490
                2p
                   -1 :               0.00019176242685
                   +0 :               0.00024075172706
                   +1 :              -0.00034786455854
                3s
                   +0 :               0.00055063866972
                4s
                   +0 :               0.00007743013264
                3p
                   -1 :              -0.00046207131491
                   +0 :              -0.00016793535894
                   +1 :               0.00168207934669
                4p
                   -1 :               0.00023946590053
                   +0 :               0.00005388882713
                   +1 :              -0.00048882521192
                3d
                   -2 :               0.00039848828142
                   -1 :               0.00006022868263
                   +0 :               0.00005324542278
                   +1 :              -0.00006403490271
                   +2 :               0.00020410390882
              9 vec=    13.176224     -1.376461      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00008030221764
                2p
                   -1 :              -0.00002543897226
                   +0 :               0.00008398335674
                   +1 :               0.00002821642159
                3s
                   +0 :              -0.00028134505608
                4s
                   +0 :               0.00013612422666
                3p
                   -1 :               0.00007765804012
                   +0 :              -0.00035100259205
                   +1 :              -0.00018483367430
                4p
                   -1 :               0.00001806438706
                   +0 :               0.00013169393861
                   +1 :               0.00008985547958
                3d
                   -2 :               0.00005046440621
                   -1 :              -0.00003451025530
                   +0 :               0.00000470769512
                   +1 :              -0.00013168476700
                   +2 :              -0.00006435751482
             10 vec=    13.176224      7.607297      2.510804   |vec|=   15.420376
                2s
                   +0 :               0.00005456970165
                2p
                   -1 :              -0.00000893448616
                   +0 :               0.00002610367478
                   +1 :               0.00002630101244
                3s
                   +0 :              -0.00010850096242
                4s
                   +0 :              -0.00000157337157
                3p
                   -1 :               0.00004284615849
                   +0 :              -0.00015794651079
                   +1 :              -0.00004365155979
                4p
                   -1 :              -0.00000170755628
                   +0 :               0.00006678800565
                   +1 :              -0.00003537134696
                3d
                   -2 :               0.00001524239715
                   -1 :               0.00000177665726
                   +0 :               0.00002019347476
                   +1 :              -0.00002519372436
                   +2 :               0.00001672187279
             11 vec=   -10.164264     12.099176      2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00001582056744
                2p
                   -1 :              -0.00003383588042
                   +0 :               0.00003858701550
                   +1 :               0.00003943314641
                3s
                   +0 :               0.00000638613342
                4s
                   +0 :              -0.00010243668311
                3p
                   -1 :               0.00014483841535
                   +0 :              -0.00022833979224
                   +1 :              -0.00017326008235
                4p
                   -1 :              -0.00007433037996
                   +0 :               0.00004427544973
                   +1 :               0.00008651532206
                3d
                   -2 :              -0.00006690751911
                   -1 :              -0.00008651042996
                   +0 :              -0.00000524550665
                   +1 :              -0.00005696483715
                   +2 :              -0.00001870039694
             12 vec=     5.396061    -14.852098      2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00000106670451
                2p
                   -1 :              -0.00002890252985
                   +0 :              -0.00005542847822
                   +1 :              -0.00002237503260
                3s
                   +0 :              -0.00011715460821
                4s
                   +0 :               0.00002038125242
                3p
                   -1 :               0.00014410282382
                   +0 :               0.00027867031174
                   +1 :               0.00015591508743
                4p
                   -1 :              -0.00005106001466
                   +0 :              -0.00006970767002
                   +1 :              -0.00004230991062
                3d
                   -2 :              -0.00002322321484
                   -1 :              -0.00004485135983
                   +0 :               0.00000264275277
                   +1 :              -0.00000017500717
                   +2 :              -0.00000269556394
             13 vec=    -2.384101     16.591055      2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00005025173582
                2p
                   -1 :              -0.00001022560199
                   +0 :               0.00000435661532
                   +1 :               0.00002319198641
                3s
                   +0 :               0.00031259906494
                4s
                   +0 :              -0.00014113191096
                3p
                   -1 :               0.00010586354313
                   +0 :               0.00006671158390
                   +1 :              -0.00009746714016
                4p
                   -1 :              -0.00005380322904
                   +0 :              -0.00002519254799
                   +1 :              -0.00000469964261
                3d
                   -2 :              -0.00000583192473
                   -1 :               0.00003515042116
                   +0 :               0.00002214442566
                   +1 :               0.00000341946904
                   +2 :              -0.00002410235043
             14 vec=    13.176224    -10.360219      2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00005479199982
                2p
                   -1 :               0.00002817499623
                   +0 :              -0.00002473700285
                   +1 :              -0.00001789258541
                3s
                   +0 :               0.00011570915102
                4s
                   +0 :              -0.00005480180059
                3p
                   -1 :              -0.00010306511411
                   +0 :               0.00009595798197
                   +1 :               0.00009334872305
                4p
                   -1 :               0.00002393383183
                   +0 :              -0.00003415020879
                   +1 :              -0.00003215478258
                3d
                   -2 :               0.00000730795110
                   -1 :               0.00001184689352
                   +0 :              -0.00000212535726
                   +1 :               0.00003001494108
                   +2 :               0.00000580109883
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 13)  npairs=  14
              1 vec=    -2.593647      1.739106     -4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00246886032377
                2s
                   +0 :               0.03032087117835
                3s
                   +0 :              -0.00507248021998
                2p
                   -1 :               0.00291336731359
                   +0 :              -0.01519213195693
                   +1 :              -0.01358424455008
                3p
                   -1 :              -0.00307935341499
                   +0 :              -0.00096385730337
                   +1 :               0.00204294585182
                3d
                   -2 :               0.00033543044790
                   -1 :               0.00096531199959
                   +0 :               0.00138024870514
                   +1 :               0.00149435900721
                   +2 :               0.00075534182788
              2 vec=     5.186516     -2.752773     -4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00069994791112
                2s
                   +0 :              -0.00529753506075
                3s
                   +0 :               0.00305470583251
                2p
                   -1 :               0.00472088652971
                   +0 :               0.00502508901522
                   +1 :              -0.00324320937374
                3p
                   -1 :              -0.00385787333541
                   +0 :              -0.00349425509417
                   +1 :               0.00235784246714
                3d
                   -2 :              -0.00009193829352
                   -1 :               0.00040884632694
                   +0 :               0.00035958742031
                   +1 :              -0.00043443042244
                   +2 :              -0.00001184318790
              3 vec=    -2.593647     -7.244652     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00010859044911
                2s
                   +0 :              -0.00038627962459
                3s
                   +0 :               0.00015512881687
                2p
                   -1 :               0.00184588577035
                   +0 :               0.00331433605024
                   +1 :               0.00033446446780
                3p
                   -1 :              -0.00091581680877
                   +0 :              -0.00061600534422
                   +1 :              -0.00080631205215
                3d
                   -2 :               0.00011069163142
                   -1 :               0.00004199619368
                   +0 :              -0.00014978305846
                   +1 :               0.00016449816240
                   +2 :              -0.00012513153170
              4 vec=     5.186516      6.230985     -4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00023831080640
                2s
                   +0 :               0.00100682779724
                3s
                   +0 :              -0.00025752513116
                2p
                   -1 :              -0.00154317898796
                   +0 :              -0.00285027715185
                   +1 :              -0.00003092880951
                3p
                   -1 :               0.00105619946178
                   +0 :               0.00053351456751
                   +1 :               0.00036107973109
                3d
                   -2 :               0.00016020881861
                   -1 :              -0.00013988850194
                   +0 :               0.00000609063525
                   +1 :              -0.00016280309999
                   +2 :               0.00003282788912
              5 vec=   -10.373810     -2.752773     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00015951301934
                2s
                   +0 :               0.00091057753818
                3s
                   +0 :              -0.00036464279591
                2p
                   -1 :              -0.00048098853108
                   +0 :               0.00072102148358
                   +1 :              -0.00046068347624
                3p
                   -1 :               0.00022028614433
                   +0 :              -0.00052577334513
                   +1 :               0.00023673950330
                3d
                   -2 :               0.00002109035540
                   -1 :               0.00005479432195
                   +0 :              -0.00006459117802
                   +1 :               0.00004868974555
                   +2 :               0.00000412355327
              6 vec=    -2.593647     10.722864     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00000155878268
                2s
                   +0 :               0.00008294965220
                3s
                   +0 :               0.00014993740553
                2p
                   -1 :               0.00074510027088
                   +0 :              -0.00064894964362
                   +1 :              -0.00029504220354
                3p
                   -1 :              -0.00046604187417
                   +0 :               0.00047756354399
                   +1 :               0.00018572622502
                3d
                   -2 :              -0.00004601185843
                   -1 :               0.00001567821497
                   +0 :              -0.00008486875717
                   +1 :              -0.00001382708305
                   +2 :              -0.00003125441619
              7 vec=   -10.373810      6.230985     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00003150209018
                2s
                   +0 :               0.00032795858954
                3s
                   +0 :              -0.00014909228811
                2p
                   -1 :              -0.00003653805719
                   +0 :               0.00026970242986
                   +1 :              -0.00000589739123
                3p
                   -1 :               0.00006667526553
                   +0 :              -0.00026353870395
                   +1 :              -0.00005060545259
                3d
                   -2 :              -0.00001191529856
                   -1 :              -0.00001435927707
                   +0 :               0.00000082058140
                   +1 :              -0.00001540719926
                   +2 :               0.00000768236321
              8 vec=     5.186516    -11.736531     -4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00001774384399
                2s
                   +0 :              -0.00024438210331
                3s
                   +0 :              -0.00016455880371
                2p
                   -1 :              -0.00004470503980
                   +0 :               0.00013566794170
                   +1 :               0.00008697141700
                3p
                   -1 :               0.00019283925686
                   +0 :               0.00016766867158
                   +1 :              -0.00003682350948
                3d
                   -2 :              -0.00001190565046
                   -1 :              -0.00003195143582
                   +0 :              -0.00004629777384
                   +1 :              -0.00001026113085
                   +2 :               0.00001824716028
              9 vec=    12.966678      1.739106     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00009001170211
                2s
                   +0 :               0.00065382437027
                3s
                   +0 :              -0.00025908118743
                2p
                   -1 :              -0.00009757767765
                   +0 :              -0.00019362121847
                   +1 :               0.00008259751465
                3p
                   -1 :               0.00008373615303
                   +0 :               0.00011916843187
                   +1 :               0.00003929936304
                3d
                   -2 :               0.00002879289756
                   -1 :              -0.00000321952523
                   +0 :              -0.00000028282973
                   +1 :               0.00000475789130
                   +2 :              -0.00000442291785
             10 vec=    12.966678     -7.244652     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00001182034768
                2s
                   +0 :              -0.00009676042577
                3s
                   +0 :              -0.00000770912254
                2p
                   -1 :              -0.00003271897031
                   +0 :               0.00001945383941
                   +1 :              -0.00011151027361
                3p
                   -1 :               0.00002347664368
                   +0 :               0.00000130627000
                   +1 :               0.00003028062288
                3d
                   -2 :               0.00000575121450
                   -1 :               0.00000081806683
                   +0 :               0.00000461745320
                   +1 :              -0.00000135262817
                   +2 :               0.00000530133154
             11 vec=   -10.373810    -11.736531     -4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00001478919196
                2s
                   +0 :              -0.00010633244333
                3s
                   +0 :               0.00001476729112
                2p
                   -1 :               0.00009574547094
                   +0 :              -0.00010733917473
                   +1 :               0.00017327429542
                3p
                   -1 :              -0.00004138153682
                   +0 :               0.00012883142682
                   +1 :              -0.00003906400078
                3d
                   -2 :              -0.00000318928723
                   -1 :              -0.00000635438986
                   +0 :               0.00000597124090
                   +1 :              -0.00000820718796
                   +2 :               0.00000446092012
             12 vec=     5.186516     15.214743     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00001636873969
                2s
                   +0 :               0.00017130332585
                3s
                   +0 :              -0.00005426091219
                2p
                   -1 :               0.00004969631150
                   +0 :               0.00002198051498
                   +1 :              -0.00001294800446
                3p
                   -1 :               0.00003146649061
                   +0 :              -0.00004044929226
                   +1 :               0.00005655273710
                3d
                   -2 :               0.00001622273619
                   -1 :               0.00001077097122
                   +0 :              -0.00000048258254
                   +1 :               0.00000372272520
                   +2 :               0.00000491336822
             13 vec=    -2.593647    -16.228410     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00001424176185
                2s
                   +0 :              -0.00010672909528
                3s
                   +0 :               0.00000783894218
                2p
                   -1 :               0.00000323773156
                   +0 :              -0.00004071727561
                   +1 :              -0.00000226403582
                3p
                   -1 :               0.00006278992850
                   +0 :               0.00002265984807
                   +1 :               0.00000797203833
                3d
                   -2 :              -0.00001041287448
                   -1 :               0.00000434552821
                   +0 :              -0.00000138680634
                   +1 :              -0.00000564415992
                   +2 :               0.00000313778821
             14 vec=    12.966678     10.722864     -4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00000710163025
                2s
                   +0 :               0.00006569697382
                3s
                   +0 :              -0.00001674620142
                2p
                   -1 :              -0.00001365382386
                   +0 :              -0.00000699857534
                   +1 :               0.00008454629353
                3p
                   -1 :               0.00003202332535
                   +0 :               0.00004997298731
                   +1 :              -0.00004756964329
                3d
                   -2 :              -0.00000156142472
                   -1 :              -0.00000246196204
                   +0 :              -0.00000249743552
                   +1 :               0.00000530719202
                   +2 :               0.00000141593208
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 14)  npairs=  14
              1 vec=     0.418832     -2.752773     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00145013722690
                2s
                   +0 :              -0.04915260658799
                3s
                   +0 :               0.00279231948645
                2p
                   -1 :               0.00935344894525
                   +0 :               0.03680385180286
                   +1 :              -0.00388766720339
                3p
                   -1 :               0.00034554758549
                   +0 :              -0.00603816827327
                   +1 :               0.00244570488598
                3d
                   -2 :               0.00016018122998
                   -1 :              -0.00048481775568
                   +0 :              -0.00142093848183
                   +1 :              -0.00036703976821
                   +2 :               0.00073693684100
              2 vec=     0.418832      6.230985     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00016601646887
                2s
                   +0 :              -0.00069108521103
                3s
                   +0 :               0.00021761671578
                2p
                   -1 :               0.00518357262371
                   +0 :               0.00272309688619
                   +1 :              -0.00245825017800
                3p
                   -1 :              -0.00272826531810
                   +0 :              -0.00398364905684
                   +1 :               0.00276388515412
                3d
                   -2 :              -0.00004735773939
                   -1 :               0.00042120725873
                   +0 :               0.00039399215909
                   +1 :               0.00017442412968
                   +2 :               0.00032605067325
              3 vec=    -7.361331      1.739106     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00032019209751
                2s
                   +0 :              -0.00237397411709
                3s
                   +0 :               0.00145110480119
                2p
                   -1 :              -0.00044268989579
                   +0 :               0.00385699440914
                   +1 :               0.00208467871319
                3p
                   -1 :               0.00017312625192
                   +0 :              -0.00190616368366
                   +1 :              -0.00190956007103
                3d
                   -2 :              -0.00006532621978
                   -1 :              -0.00000052212118
                   +0 :              -0.00002419229877
                   +1 :               0.00020137624734
                   +2 :               0.00010045165442
              4 vec=     8.198995      1.739106     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00012887154564
                2s
                   +0 :              -0.00068315622327
                3s
                   +0 :               0.00049919059671
                2p
                   -1 :              -0.00182067533936
                   +0 :              -0.00001380955989
                   +1 :              -0.00087342702504
                3p
                   -1 :               0.00161770598148
                   +0 :               0.00056972818576
                   +1 :               0.00113912246239
                3d
                   -2 :               0.00010319883027
                   -1 :              -0.00001466191328
                   +0 :              -0.00009136252368
                   +1 :               0.00006025144499
                   +2 :               0.00008037183136
              5 vec=    -7.361331     -7.244652     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00012232347932
                2s
                   +0 :               0.00026175915419
                3s
                   +0 :              -0.00035636615636
                2p
                   -1 :               0.00029709704795
                   +0 :               0.00022629078909
                   +1 :               0.00023585793281
                3p
                   -1 :              -0.00012652116425
                   +0 :               0.00014012920912
                   +1 :               0.00026734913565
                3d
                   -2 :              -0.00000811919184
                   -1 :              -0.00000867896338
                   +0 :              -0.00001045241107
                   +1 :              -0.00002870500798
                   +2 :              -0.00002378730674
              6 vec=     8.198995     -7.244652     -4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00011165453120
                2s
                   +0 :               0.00042871835184
                3s
                   +0 :              -0.00029310648388
                2p
                   -1 :              -0.00001510740128
                   +0 :              -0.00011495151204
                   +1 :               0.00046932300092
                3p
                   -1 :               0.00002217595163
                   +0 :               0.00013877001337
                   +1 :              -0.00072552182210
                3d
                   -2 :               0.00004716049152
                   -1 :               0.00000864890884
                   +0 :               0.00006322354297
                   +1 :              -0.00003757347200
                   +2 :               0.00000353429918
              7 vec=     0.418832    -11.736531     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00003706110722
                2s
                   +0 :              -0.00076578922946
                3s
                   +0 :               0.00007143507752
                2p
                   -1 :               0.00086088310170
                   +0 :               0.00046958339528
                   +1 :               0.00026183088659
                3p
                   -1 :              -0.00061734447238
                   +0 :              -0.00048464872881
                   +1 :              -0.00021867254946
                3d
                   -2 :               0.00002414023777
                   -1 :               0.00006516218788
                   +0 :               0.00001113660286
                   +1 :              -0.00001276174853
                   +2 :              -0.00001154470211
              8 vec=    -7.361331     10.722864     -4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00002805299425
                2s
                   +0 :               0.00021238939506
                3s
                   +0 :               0.00017383356082
                2p
                   -1 :               0.00006147746642
                   +0 :              -0.00058790301479
                   +1 :               0.00024653021899
                3p
                   -1 :              -0.00004577495679
                   +0 :               0.00006221340001
                   +1 :              -0.00044960464291
                3d
                   -2 :              -0.00001175465087
                   -1 :              -0.00000138010371
                   +0 :               0.00001377269552
                   +1 :               0.00003125118872
                   +2 :               0.00001737768484
              9 vec=     8.198995     10.722864     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00006292306479
                2s
                   +0 :               0.00053620669790
                3s
                   +0 :              -0.00017789852446
                2p
                   -1 :               0.00009744003833
                   +0 :              -0.00029519206439
                   +1 :               0.00044629401565
                3p
                   -1 :              -0.00010163728065
                   +0 :               0.00006710037183
                   +1 :              -0.00026254533657
                3d
                   -2 :              -0.00003851484408
                   -1 :               0.00000949669579
                   +0 :               0.00002239850948
                   +1 :               0.00001051143241
                   +2 :               0.00000301151360
             10 vec=     0.418832     15.214743     -4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000221399575
                2s
                   +0 :               0.00003119504128
                3s
                   +0 :               0.00003026099048
                2p
                   -1 :               0.00006660843013
                   +0 :              -0.00011402844046
                   +1 :              -0.00008425273211
                3p
                   -1 :               0.00000239383417
                   +0 :               0.00001417334468
                   +1 :               0.00008311221317
                3d
                   -2 :               0.00000574813994
                   -1 :               0.00000693553159
                   +0 :               0.00000050355971
                   +1 :              -0.00000442741872
                   +2 :              -0.00000799100999
             11 vec=   -15.141493     -2.752773     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00002111437254
                2s
                   +0 :              -0.00010418904428
                3s
                   +0 :               0.00005669638158
                2p
                   -1 :              -0.00002873171841
                   +0 :               0.00003609316999
                   +1 :              -0.00001673947205
                3p
                   -1 :               0.00001150273332
                   +0 :              -0.00002102468815
                   +1 :               0.00002566045217
                3d
                   -2 :              -0.00000897626762
                   -1 :               0.00000016432173
                   +0 :               0.00001113958291
                   +1 :               0.00000807670536
                   +2 :              -0.00000477589160
             12 vec=    15.979157     -2.752773     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00001465556869
                2s
                   +0 :               0.00010426330900
                3s
                   +0 :              -0.00004328649922
                2p
                   -1 :              -0.00017330221401
                   +0 :               0.00004531591952
                   +1 :              -0.00004203904852
                3p
                   -1 :               0.00011891363024
                   +0 :               0.00000879585116
                   +1 :               0.00002893120139
                3d
                   -2 :               0.00000067804415
                   -1 :               0.00000033344012
                   +0 :              -0.00000162555958
                   +1 :              -0.00000131515128
                   +2 :               0.00000504985020
             13 vec=   -15.141493      6.230985     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00001216434253
                2s
                   +0 :               0.00007291765886
                3s
                   +0 :              -0.00005171633818
                2p
                   -1 :              -0.00000768880293
                   +0 :              -0.00002743378343
                   +1 :              -0.00012171575706
                3p
                   -1 :               0.00001761431667
                   +0 :              -0.00000970620960
                   +1 :               0.00009589360231
                3d
                   -2 :              -0.00000366975371
                   -1 :              -0.00000429434918
                   +0 :               0.00000029653425
                   +1 :               0.00000033716283
                   +2 :              -0.00000363981731
             14 vec=    15.979157      6.230985     -4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000281617686
                2s
                   +0 :               0.00003154821891
                3s
                   +0 :              -0.00000344714297
                2p
                   -1 :               0.00009750239811
                   +0 :              -0.00002991167954
                   +1 :               0.00005433110077
                3p
                   -1 :              -0.00007604912584
                   +0 :              -0.00000251897183
                   +1 :              -0.00002244597639
                3d
                   -2 :              -0.00000784038735
                   -1 :              -0.00000121894714
                   +0 :               0.00000370738161
                   +1 :               0.00000017710118
                   +2 :              -0.00000067936813
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 15)  npairs=  14
              1 vec=     2.802674      1.376162     -4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00186447628876
                2s
                   +0 :               0.02373536925845
                3s
                   +0 :              -0.00503687748364
                2p
                   -1 :               0.00471646892979
                   +0 :              -0.01248833417895
                   +1 :               0.01464759678263
                3p
                   -1 :              -0.00778080859929
                   +0 :               0.00085568091855
                   +1 :              -0.00519103912304
                3d
                   -2 :              -0.00048181856902
                   -1 :               0.00105020948251
                   +0 :               0.00044724809341
                   +1 :              -0.00116330085715
                   +2 :               0.00093119511263
              2 vec=    -4.977489     -3.115717     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00043350542703
                2s
                   +0 :              -0.00190058203457
                3s
                   +0 :               0.00140841733716
                2p
                   -1 :               0.00470776062988
                   +0 :              -0.00061885586321
                   +1 :               0.00098433010415
                3p
                   -1 :              -0.00473965333734
                   +0 :               0.00071894645435
                   +1 :              -0.00075587573487
                3d
                   -2 :               0.00018168288318
                   -1 :               0.00004003496221
                   +0 :              -0.00017429455006
                   +1 :               0.00013098724669
                   +2 :               0.00007175737154
              3 vec=    -4.977489      5.868041     -4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00022452544375
                2s
                   +0 :              -0.00206627499623
                3s
                   +0 :               0.00093787225731
                2p
                   -1 :              -0.00002379726121
                   +0 :              -0.00161914323984
                   +1 :               0.00049832279002
                3p
                   -1 :              -0.00048741786341
                   +0 :               0.00038145413213
                   +1 :              -0.00060012712761
                3d
                   -2 :               0.00007979222736
                   -1 :               0.00001581935780
                   +0 :              -0.00001459176016
                   +1 :               0.00007413042759
                   +2 :               0.00008824095659
              4 vec=     2.802674     -7.607596     -4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00023325360456
                2s
                   +0 :              -0.00103936388925
                3s
                   +0 :               0.00045765053733
                2p
                   -1 :               0.00173510268758
                   +0 :               0.00283927513824
                   +1 :               0.00040418623040
                3p
                   -1 :              -0.00088246353495
                   +0 :              -0.00188095635994
                   +1 :              -0.00007672871903
                3d
                   -2 :              -0.00002704762859
                   -1 :               0.00006237123876
                   +0 :              -0.00001879523569
                   +1 :              -0.00001617088407
                   +2 :              -0.00004582820734
              5 vec=     2.802674     10.359920     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00006330410274
                2s
                   +0 :               0.00092731881249
                3s
                   +0 :              -0.00026137186964
                2p
                   -1 :               0.00109383980959
                   +0 :               0.00013322593253
                   +1 :               0.00001920300443
                3p
                   -1 :              -0.00063844770107
                   +0 :              -0.00020742330438
                   +1 :               0.00016813554865
                3d
                   -2 :               0.00005892419228
                   -1 :              -0.00005784330961
                   +0 :               0.00001176844961
                   +1 :              -0.00009100340182
                   +2 :               0.00003198361941
              6 vec=    10.582837     -3.115717     -4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00001277181811
                2s
                   +0 :              -0.00024167495483
                3s
                   +0 :               0.00009437393711
                2p
                   -1 :               0.00024772657413
                   +0 :               0.00083018952952
                   +1 :               0.00019307796981
                3p
                   -1 :              -0.00042231733902
                   +0 :              -0.00067022560017
                   +1 :              -0.00014953042580
                3d
                   -2 :              -0.00001574720911
                   -1 :               0.00001293807226
                   +0 :              -0.00008692185765
                   +1 :              -0.00005419146836
                   +2 :              -0.00000591585195
              7 vec=    10.582837      5.868041     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00000108556440
                2s
                   +0 :               0.00028486909157
                3s
                   +0 :               0.00004547542136
                2p
                   -1 :               0.00024398671294
                   +0 :              -0.00044428965424
                   +1 :              -0.00005771823796
                3p
                   -1 :              -0.00006652366816
                   +0 :               0.00030760115802
                   +1 :               0.00005204091350
                3d
                   -2 :               0.00002846212470
                   -1 :              -0.00001809221955
                   +0 :               0.00000972185316
                   +1 :               0.00001328881614
                   +2 :               0.00001389243469
              8 vec=   -12.757651      1.376162     -4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00007088565102
                2s
                   +0 :               0.00051366041754
                3s
                   +0 :              -0.00019495243157
                2p
                   -1 :              -0.00024069126416
                   +0 :              -0.00015419680716
                   +1 :              -0.00038797551168
                3p
                   -1 :               0.00020494041432
                   +0 :               0.00004532979533
                   +1 :               0.00022300754657
                3d
                   -2 :              -0.00002599615829
                   -1 :               0.00001430738053
                   +0 :               0.00001635274338
                   +1 :              -0.00000592433307
                   +2 :               0.00000471942358
              9 vec=    -4.977489    -12.099475     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00001401262426
                2s
                   +0 :              -0.00025200732106
                3s
                   +0 :              -0.00012975699870
                2p
                   -1 :              -0.00014151320308
                   +0 :               0.00037964538762
                   +1 :              -0.00008306584970
                3p
                   -1 :               0.00036322712124
                   +0 :               0.00005096149548
                   +1 :               0.00007637392877
                3d
                   -2 :              -0.00000370172521
                   -1 :              -0.00000366417999
                   +0 :              -0.00001542104038
                   +1 :               0.00002551081354
                   +2 :               0.00000166075585
             10 vec=   -12.757651     -7.607596     -4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00000796618862
                2s
                   +0 :              -0.00004399171299
                3s
                   +0 :              -0.00000444467153
                2p
                   -1 :               0.00004550831045
                   +0 :              -0.00000541550059
                   +1 :               0.00008030788130
                3p
                   -1 :              -0.00006474373380
                   +0 :               0.00000645517317
                   +1 :              -0.00000243504813
                3d
                   -2 :               0.00000475524379
                   -1 :              -0.00000459235517
                   +0 :              -0.00000630572351
                   +1 :               0.00000218140424
                   +2 :              -0.00000524173428
             11 vec=    -4.977489     14.851799     -4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00000668534255
                2s
                   +0 :               0.00007646238841
                3s
                   +0 :               0.00000298194776
                2p
                   -1 :               0.00007564368593
                   +0 :              -0.00001908282233
                   +1 :              -0.00006948562696
                3p
                   -1 :               0.00003737548872
                   +0 :               0.00000515969971
                   +1 :               0.00003232513435
                3d
                   -2 :               0.00000127377443
                   -1 :               0.00000404101327
                   +0 :              -0.00001681093911
                   +1 :              -0.00000368974629
                   +2 :               0.00000064144313
             12 vec=    10.582837    -12.099475     -4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00003988635588
                2s
                   +0 :              -0.00028012916688
                3s
                   +0 :               0.00008906822512
                2p
                   -1 :               0.00014056700490
                   +0 :              -0.00009382205663
                   +1 :              -0.00016063323354
                3p
                   -1 :              -0.00003623874192
                   +0 :               0.00014389287111
                   +1 :               0.00004651839988
                3d
                   -2 :              -0.00000145660398
                   -1 :              -0.00000142232691
                   +0 :              -0.00000019557685
                   +1 :               0.00001069874890
                   +2 :              -0.00000886271819
             13 vec=   -12.757651     10.359920     -4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00001588910059
                2s
                   +0 :               0.00009841331698
                3s
                   +0 :              -0.00004713245415
                2p
                   -1 :               0.00006320579063
                   +0 :              -0.00004892983047
                   +1 :              -0.00007777975396
                3p
                   -1 :              -0.00003205454466
                   +0 :               0.00001434356990
                   +1 :               0.00004932298757
                3d
                   -2 :              -0.00000623729871
                   -1 :               0.00000521650061
                   +0 :               0.00000419468118
                   +1 :               0.00000435633859
                   +2 :              -0.00000406183461
             14 vec=     2.802674    -16.591354     -4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00001540035582
                2s
                   +0 :              -0.00010680500894
                3s
                   +0 :               0.00002917684387
                2p
                   -1 :               0.00002828651750
                   +0 :               0.00001291693830
                   +1 :              -0.00008888834438
                3p
                   -1 :               0.00006801963709
                   +0 :               0.00005122098705
                   +1 :               0.00005355503709
                3d
                   -2 :               0.00000465578926
                   -1 :               0.00000270824635
                   +0 :              -0.00000134329264
                   +1 :               0.00000153418983
                   +2 :               0.00000252923571
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 16)  npairs=  14
              1 vec=     0.418832     -0.000150      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00038912309506
                2s
                   +0 :               0.00237362261162
                3s
                   +0 :              -0.00085474877849
                2p
                   -1 :              -0.00269822976475
                   +0 :               0.00142674630390
                   +1 :              -0.00081279147670
                3p
                   -1 :               0.00103506506242
                   +0 :              -0.00041914326085
                   +1 :               0.00082892178167
                3d
                   -2 :               0.00010742118280
                   -1 :               0.00000507287091
                   +0 :               0.00021345892032
                   +1 :               0.00006827652196
                   +2 :               0.00006272548214
              2 vec=    -7.361331      4.491729      8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00004116071849
                2s
                   +0 :               0.00063713484283
                3s
                   +0 :              -0.00010163435833
                2p
                   -1 :               0.00047686558087
                   +0 :               0.00030323266688
                   +1 :               0.00004067630198
                3p
                   -1 :              -0.00053515446997
                   +0 :               0.00003123676204
                   +1 :              -0.00020779848451
                3d
                   -2 :               0.00004975896087
                   -1 :              -0.00002913745146
                   +0 :               0.00001790724080
                   +1 :              -0.00001582274876
                   +2 :               0.00004880235379
              3 vec=    -7.361331     -4.492029      8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00007544262167
                2s
                   +0 :               0.00027858681757
                3s
                   +0 :              -0.00016183155411
                2p
                   -1 :               0.00019405968739
                   +0 :               0.00015627558782
                   +1 :               0.00121561556716
                3p
                   -1 :              -0.00036761201431
                   +0 :              -0.00006104013891
                   +1 :              -0.00086170634028
                3d
                   -2 :               0.00008066093273
                   -1 :              -0.00006733777144
                   +0 :              -0.00001124207242
                   +1 :              -0.00000710635143
                   +2 :              -0.00002296572794
              4 vec=     0.418832      8.983608      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00028806433929
                2s
                   +0 :              -0.00144574431067
                3s
                   +0 :               0.00100726154915
                2p
                   -1 :              -0.00089799046723
                   +0 :              -0.00078460872622
                   +1 :               0.00182007725188
                3p
                   -1 :               0.00097634962766
                   +0 :               0.00071491486938
                   +1 :              -0.00152897163110
                3d
                   -2 :              -0.00009150161772
                   -1 :               0.00014994843953
                   +0 :               0.00006989250474
                   +1 :              -0.00012689370287
                   +2 :              -0.00004755943367
              5 vec=     0.418832     -8.983908      8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00013880899159
                2s
                   +0 :              -0.00142679328192
                3s
                   +0 :               0.00035897902351
                2p
                   -1 :               0.00105206474450
                   +0 :              -0.00061261171159
                   +1 :              -0.00061529220176
                3p
                   -1 :              -0.00046442851990
                   +0 :               0.00008157053642
                   +1 :               0.00042080367156
                3d
                   -2 :              -0.00003020734617
                   -1 :              -0.00002904729099
                   +0 :              -0.00003811412204
                   +1 :               0.00000402166470
                   +2 :              -0.00002128080694
              6 vec=     8.198995      4.491729      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00000065218462
                2s
                   +0 :               0.00026015982992
                3s
                   +0 :              -0.00000388922539
                2p
                   -1 :              -0.00049345187164
                   +0 :               0.00049450108327
                   +1 :               0.00023949152876
                3p
                   -1 :               0.00031888767174
                   +0 :              -0.00030100119617
                   +1 :              -0.00005778607897
                3d
                   -2 :               0.00000340644975
                   -1 :              -0.00001471113016
                   +0 :               0.00002536957549
                   +1 :              -0.00000468348624
                   +2 :              -0.00002639411693
              7 vec=     8.198995     -4.492029      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00004332347845
                2s
                   +0 :               0.00011153611447
                3s
                   +0 :              -0.00014603796846
                2p
                   -1 :               0.00013397503042
                   +0 :              -0.00034066383459
                   +1 :              -0.00087679246784
                3p
                   -1 :              -0.00024281647303
                   +0 :               0.00024188139515
                   +1 :               0.00057270833134
                3d
                   -2 :              -0.00002754515928
                   -1 :              -0.00000904352126
                   +0 :               0.00000131075181
                   +1 :               0.00002301736777
                   +2 :              -0.00000604127480
              8 vec=     0.418832     -0.000150    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000671588471
                2s
                   +0 :               0.00003261006557
                3s
                   +0 :              -0.00001946484023
                2p
                   -1 :              -0.00005506814005
                   +0 :               0.00003591324612
                   +1 :              -0.00009272092607
                3p
                   -1 :               0.00001174341023
                   +0 :              -0.00002210246489
                   +1 :               0.00006756075415
                3d
                   -2 :               0.00000308223062
                   -1 :               0.00000174732191
                   +0 :               0.00000497803258
                   +1 :              -0.00000670378843
                   +2 :              -0.00000595323743
              9 vec=   -15.141493     -0.000150      8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00002639409182
                2s
                   +0 :               0.00019693780839
                3s
                   +0 :              -0.00009785275811
                2p
                   -1 :               0.00001744117525
                   +0 :               0.00001426261075
                   +1 :              -0.00005770366356
                3p
                   -1 :              -0.00003446583868
                   +0 :              -0.00001316213431
                   +1 :               0.00001588391217
                3d
                   -2 :               0.00000606649905
                   -1 :              -0.00000505563481
                   +0 :               0.00000078273882
                   +1 :              -0.00000349059158
                   +2 :               0.00000544057135
             10 vec=    -7.361331     13.475487      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00002157937892
                2s
                   +0 :               0.00016258156864
                3s
                   +0 :              -0.00005579985638
                2p
                   -1 :               0.00008427522335
                   +0 :               0.00000648634366
                   +1 :              -0.00026667739586
                3p
                   -1 :              -0.00000974697920
                   +0 :               0.00002475573224
                   +1 :               0.00020910461829
                3d
                   -2 :               0.00000354463094
                   -1 :               0.00001700589752
                   +0 :              -0.00000433750087
                   +1 :               0.00000216807710
                   +2 :              -0.00001810098615
             11 vec=    -7.361331    -13.475787      8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000106710638
                2s
                   +0 :              -0.00007419036601
                3s
                   +0 :              -0.00001247788168
                2p
                   -1 :               0.00001882913957
                   +0 :              -0.00010197251665
                   +1 :               0.00003908684096
                3p
                   -1 :               0.00003950902426
                   +0 :               0.00000726800184
                   +1 :               0.00003303108309
                3d
                   -2 :              -0.00001072848311
                   -1 :              -0.00000090124149
                   +0 :               0.00000318963200
                   +1 :               0.00000579971474
                   +2 :               0.00000290317908
             12 vec=     8.198995     13.475487      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000200147559
                2s
                   +0 :               0.00000110321611
                3s
                   +0 :               0.00001927358605
                2p
                   -1 :              -0.00006433227198
                   +0 :              -0.00009971541866
                   +1 :               0.00005389980035
                3p
                   -1 :               0.00007473277802
                   +0 :               0.00009811101200
                   +1 :              -0.00003068076544
                3d
                   -2 :               0.00000149837069
                   -1 :               0.00000637352953
                   +0 :               0.00000796292093
                   +1 :               0.00000074999809
                   +2 :              -0.00001005197327
             13 vec=     8.198995    -13.475787      8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00001735022876
                2s
                   +0 :              -0.00013214774502
                3s
                   +0 :               0.00002391818471
                2p
                   -1 :               0.00003423374178
                   +0 :              -0.00005060361152
                   +1 :              -0.00006807996877
                3p
                   -1 :              -0.00001219849824
                   +0 :              -0.00001864239343
                   +1 :              -0.00000132344955
                3d
                   -2 :               0.00000151350866
                   -1 :              -0.00000017649197
                   +0 :              -0.00000376891630
                   +1 :              -0.00000286222361
                   +2 :              -0.00000163225181
             14 vec=    15.979157     -0.000150      8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00000140821388
                2s
                   +0 :               0.00001626476564
                3s
                   +0 :              -0.00000248625056
                2p
                   -1 :              -0.00003037008544
                   +0 :               0.00003806236313
                   +1 :               0.00002493204384
                3p
                   -1 :               0.00001622082651
                   +0 :              -0.00002645103170
                   +1 :              -0.00000555453694
                3d
                   -2 :               0.00000115836694
                   -1 :               0.00000235854979
                   +0 :              -0.00000225292106
                   +1 :               0.00000156245612
                   +2 :              -0.00000011854391
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 17)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00033093364438
                2s
                   +0 :               0.00248871133947
                3s
                   +0 :              -0.00064715997620
                2p
                   -1 :              -0.00003728111706
                   +0 :               0.00183077480449
                   +1 :               0.00356126752826
                3p
                   -1 :              -0.00082547093700
                   +0 :               0.00023496692795
                   +1 :              -0.00181936037943
                3d
                   -2 :              -0.00016482928190
                   -1 :              -0.00015773383505
                   +0 :               0.00009256536180
                   +1 :               0.00000278449044
                   +2 :              -0.00006980457660
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00004433992757
                2s
                   +0 :              -0.00011336104293
                3s
                   +0 :               0.00030114961819
                2p
                   -1 :               0.00173957829160
                   +0 :               0.00178467257937
                   +1 :               0.00019816226377
                3p
                   -1 :              -0.00055979654635
                   +0 :              -0.00060582284439
                   +1 :               0.00004019284096
                3d
                   -2 :              -0.00003781037733
                   -1 :               0.00006900240570
                   +0 :              -0.00003560027738
                   +1 :               0.00010748838375
                   +2 :               0.00001453676942
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00027670435261
                2s
                   +0 :              -0.00286227442539
                3s
                   +0 :               0.00044091500745
                2p
                   -1 :              -0.00070051620905
                   +0 :              -0.00237249106032
                   +1 :               0.00279014599331
                3p
                   -1 :               0.00058486020623
                   +0 :               0.00054309461557
                   +1 :              -0.00054410885181
                3d
                   -2 :               0.00004508938047
                   -1 :               0.00009161814085
                   +0 :              -0.00000954365456
                   +1 :               0.00008999320876
                   +2 :              -0.00010142474686
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00001320536074
                2s
                   +0 :               0.00035954594321
                3s
                   +0 :               0.00003524234032
                2p
                   -1 :               0.00054521945870
                   +0 :               0.00044294429797
                   +1 :              -0.00026405524768
                3p
                   -1 :              -0.00032750980642
                   +0 :              -0.00027085609294
                   +1 :               0.00020204761624
                3d
                   -2 :               0.00000430714395
                   -1 :              -0.00001797063113
                   +0 :              -0.00006478980843
                   +1 :              -0.00000459483046
                   +2 :               0.00003567968092
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000214150528
                2s
                   +0 :              -0.00015783121705
                3s
                   +0 :              -0.00003327974830
                2p
                   -1 :               0.00003708284317
                   +0 :               0.00026530671807
                   +1 :               0.00007216899787
                3p
                   -1 :              -0.00003203282729
                   +0 :              -0.00021817132665
                   +1 :              -0.00006789421668
                3d
                   -2 :               0.00000100700538
                   -1 :              -0.00000331833622
                   +0 :              -0.00002701738919
                   +1 :              -0.00002325853455
                   +2 :              -0.00001666318563
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00005308248601
                2s
                   +0 :               0.00032665795822
                3s
                   +0 :              -0.00003601720952
                2p
                   -1 :               0.00045159487509
                   +0 :              -0.00009324776768
                   +1 :              -0.00020946788263
                3p
                   -1 :              -0.00045596221991
                   +0 :              -0.00004225877449
                   +1 :               0.00000381658574
                3d
                   -2 :               0.00000532535211
                   -1 :               0.00000497539679
                   +0 :               0.00000434551091
                   +1 :              -0.00002738027297
                   +2 :               0.00005787988309
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000782338756
                2s
                   +0 :              -0.00005862063793
                3s
                   +0 :               0.00003819149345
                2p
                   -1 :              -0.00004956630030
                   +0 :               0.00005611803636
                   +1 :               0.00001245538333
                3p
                   -1 :               0.00006025021397
                   +0 :              -0.00007043410648
                   +1 :               0.00000375462071
                3d
                   -2 :               0.00001258678698
                   -1 :              -0.00000137548601
                   +0 :              -0.00000688516424
                   +1 :              -0.00000901253309
                   +2 :               0.00000046104102
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000619171040
                2s
                   +0 :               0.00000554705402
                3s
                   +0 :              -0.00003596194265
                2p
                   -1 :               0.00003527693027
                   +0 :              -0.00008499598020
                   +1 :               0.00012012187005
                3p
                   -1 :              -0.00002792189643
                   +0 :               0.00006126307309
                   +1 :              -0.00015931816918
                3d
                   -2 :              -0.00000959011486
                   -1 :               0.00000715871550
                   +0 :               0.00000793296789
                   +1 :               0.00000869128816
                   +2 :              -0.00000781729115
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00004397360509
                2s
                   +0 :               0.00029857222065
                3s
                   +0 :              -0.00012959785472
                2p
                   -1 :               0.00020358474387
                   +0 :               0.00014152184290
                   +1 :               0.00004910753727
                3p
                   -1 :              -0.00011647882006
                   +0 :              -0.00009693672625
                   +1 :              -0.00006202039507
                3d
                   -2 :               0.00002549228434
                   -1 :              -0.00000958658714
                   +0 :               0.00000413390523
                   +1 :              -0.00000752861457
                   +2 :               0.00000068447550
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00002264847195
                2s
                   +0 :               0.00016327111396
                3s
                   +0 :              -0.00004662636365
                2p
                   -1 :              -0.00008668911958
                   +0 :               0.00011330748112
                   +1 :              -0.00020685429331
                3p
                   -1 :               0.00005885658752
                   +0 :              -0.00004487012518
                   +1 :               0.00011872261752
                3d
                   -2 :              -0.00000135473057
                   -1 :               0.00000098572997
                   +0 :              -0.00000141845927
                   +1 :               0.00001085995434
                   +2 :              -0.00000918141955
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000560835410
                2s
                   +0 :              -0.00010116061532
                3s
                   +0 :               0.00000082193209
                2p
                   -1 :               0.00007944667155
                   +0 :              -0.00023881595856
                   +1 :               0.00010279251956
                3p
                   -1 :              -0.00001071160144
                   +0 :               0.00012685343192
                   +1 :              -0.00009918421085
                3d
                   -2 :               0.00000420820044
                   -1 :               0.00000383938088
                   +0 :              -0.00000433300868
                   +1 :              -0.00000693322628
                   +2 :               0.00000046709403
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00001046056566
                2s
                   +0 :              -0.00006798859901
                3s
                   +0 :               0.00001808023158
                2p
                   -1 :              -0.00021451178952
                   +0 :              -0.00026392541148
                   +1 :              -0.00000057496648
                3p
                   -1 :               0.00020737726475
                   +0 :               0.00017074721409
                   +1 :               0.00004062355599
                3d
                   -2 :              -0.00001484209172
                   -1 :               0.00001261736264
                   +0 :               0.00001852556142
                   +1 :              -0.00001287908446
                   +2 :               0.00001054689466
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002863866535
                2s
                   +0 :               0.00020163459818
                3s
                   +0 :              -0.00007593713962
                2p
                   -1 :              -0.00015745330579
                   +0 :              -0.00009281675043
                   +1 :               0.00003072099593
                3p
                   -1 :               0.00007382792933
                   +0 :               0.00007717619226
                   +1 :              -0.00004763834732
                3d
                   -2 :              -0.00000179446385
                   -1 :              -0.00000073712729
                   +0 :               0.00000093181912
                   +1 :               0.00000403313203
                   +2 :              -0.00000208365579
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000909998654
                2s
                   +0 :               0.00007421512440
                3s
                   +0 :              -0.00001845829492
                2p
                   -1 :              -0.00005783013195
                   +0 :              -0.00004098820595
                   +1 :              -0.00009446562264
                3p
                   -1 :               0.00002430733088
                   +0 :               0.00000535815866
                   +1 :               0.00003970019901
                3d
                   -2 :              -0.00000342729295
                   -1 :               0.00000064492319
                   +0 :              -0.00000006097743
                   +1 :               0.00000198278526
                   +2 :               0.00000385744930
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00000203102936
                2s
                   +0 :               0.00003633956016
                3s
                   +0 :              -0.00000007229878
                2p
                   -1 :               0.00001321612355
                   +0 :               0.00004537546884
                   +1 :               0.00006471646647
                3p
                   -1 :              -0.00002833141143
                   +0 :              -0.00004941464806
                   +1 :              -0.00003848963403
                3d
                   -2 :              -0.00000261227962
                   -1 :               0.00000267378953
                   +0 :               0.00000556381764
                   +1 :              -0.00000229682451
                   +2 :               0.00000344325814
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 18)  npairs=  15
              1 vec=     2.802674     -4.129085      8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00035448006914
                2s
                   +0 :              -0.00343592823644
                3s
                   +0 :               0.00064634353545
                2p
                   -1 :              -0.00104941052004
                   +0 :              -0.00371642162883
                   +1 :              -0.00297456067124
                3p
                   -1 :               0.00079255580029
                   +0 :               0.00088026948598
                   +1 :               0.00040121035595
                3d
                   -2 :               0.00001176958740
                   -1 :               0.00003130193053
                   +0 :               0.00007264462995
                   +1 :              -0.00015135403936
                   +2 :              -0.00003427520541
              2 vec=    -4.977489      0.362794      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00009737250635
                2s
                   +0 :               0.00129559190487
                3s
                   +0 :               0.00006582034857
                2p
                   -1 :              -0.00320612013560
                   +0 :               0.00122127892898
                   +1 :              -0.00262600978853
                3p
                   -1 :               0.00203644887046
                   +0 :               0.00091190041621
                   +1 :               0.00075295331347
                3d
                   -2 :               0.00006007138580
                   -1 :               0.00014488938886
                   +0 :               0.00002848113929
                   +1 :              -0.00005606486322
                   +2 :               0.00009678810667
              3 vec=     2.802674      4.854673      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00012961652369
                2s
                   +0 :               0.00070441302896
                3s
                   +0 :              -0.00013163623497
                2p
                   -1 :               0.00197577983091
                   +0 :              -0.00047466266266
                   +1 :              -0.00125239616300
                3p
                   -1 :              -0.00112811050244
                   +0 :               0.00109779939133
                   +1 :               0.00096097517753
                3d
                   -2 :              -0.00009226246121
                   -1 :              -0.00001358154369
                   +0 :              -0.00006980160360
                   +1 :              -0.00005676433749
                   +2 :              -0.00005884532895
              4 vec=    -4.977489     -8.620964      8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00011494246266
                2s
                   +0 :              -0.00101319847838
                3s
                   +0 :               0.00036973609320
                2p
                   -1 :               0.00072263511443
                   +0 :              -0.00016823200909
                   +1 :               0.00013838726521
                3p
                   -1 :              -0.00053156431675
                   +0 :               0.00014664424946
                   +1 :              -0.00005375391018
                3d
                   -2 :               0.00000999243231
                   -1 :              -0.00004728966981
                   +0 :               0.00000506626495
                   +1 :              -0.00000666145979
                   +2 :              -0.00000609861012
              5 vec=    10.582837      0.362794      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00000492094087
                2s
                   +0 :               0.00009246054274
                3s
                   +0 :               0.00004789475789
                2p
                   -1 :               0.00021340808993
                   +0 :              -0.00003011019628
                   +1 :               0.00011548796983
                3p
                   -1 :              -0.00021158881803
                   +0 :              -0.00005256377108
                   +1 :               0.00001034247406
                3d
                   -2 :               0.00001767611280
                   -1 :              -0.00000950092808
                   +0 :              -0.00000813056769
                   +1 :               0.00001282734597
                   +2 :               0.00002809860633
              6 vec=    -4.977489      9.346552      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00003058928846
                2s
                   +0 :               0.00044017422095
                3s
                   +0 :              -0.00004118600879
                2p
                   -1 :               0.00008812606303
                   +0 :              -0.00019171258180
                   +1 :               0.00005729227383
                3p
                   -1 :               0.00015683764977
                   +0 :               0.00026265288481
                   +1 :              -0.00011648400525
                3d
                   -2 :               0.00001294121117
                   -1 :              -0.00001692138516
                   +0 :              -0.00002618624270
                   +1 :              -0.00003757287082
                   +2 :              -0.00002222362109
              7 vec=     2.802674    -13.112843      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00002041137274
                2s
                   +0 :              -0.00020074498211
                3s
                   +0 :               0.00004148003157
                2p
                   -1 :               0.00025453516088
                   +0 :              -0.00024061263531
                   +1 :              -0.00006168573287
                3p
                   -1 :              -0.00013287769318
                   +0 :               0.00015623650727
                   +1 :               0.00003842720693
                3d
                   -2 :               0.00000560409287
                   -1 :              -0.00000787385962
                   +0 :               0.00001148102500
                   +1 :               0.00000986230015
                   +2 :              -0.00000210741088
              8 vec=   -12.757651     -4.129085      8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00001450996139
                2s
                   +0 :               0.00007942458840
                3s
                   +0 :              -0.00006539390007
                2p
                   -1 :              -0.00025222750853
                   +0 :               0.00010219009917
                   +1 :              -0.00001442109585
                3p
                   -1 :               0.00019467739883
                   +0 :              -0.00010156396200
                   +1 :               0.00005611171426
                3d
                   -2 :               0.00001030380911
                   -1 :              -0.00000021313807
                   +0 :              -0.00001011922663
                   +1 :               0.00000369343125
                   +2 :              -0.00000315001893
              9 vec=    10.582837     -8.620964      8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00004748209532
                2s
                   +0 :               0.00031510428000
                3s
                   +0 :              -0.00016823672876
                2p
                   -1 :              -0.00014831806283
                   +0 :               0.00001268517847
                   +1 :               0.00009305934838
                3p
                   -1 :               0.00013411645237
                   +0 :              -0.00003044480107
                   +1 :              -0.00006987566571
                3d
                   -2 :               0.00000564834363
                   -1 :              -0.00000751851589
                   +0 :              -0.00000033371697
                   +1 :              -0.00000341240147
                   +2 :               0.00001356100092
             10 vec=   -12.757651      4.854673      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00002977161917
                2s
                   +0 :              -0.00018753715792
                3s
                   +0 :               0.00009633212410
                2p
                   -1 :               0.00000421610580
                   +0 :              -0.00001255408263
                   +1 :               0.00007493664400
                3p
                   -1 :              -0.00000141616023
                   +0 :              -0.00002458187372
                   +1 :              -0.00004625919350
                3d
                   -2 :               0.00000286999082
                   -1 :              -0.00001144991127
                   +0 :               0.00000692180175
                   +1 :               0.00000123251484
                   +2 :              -0.00000933416056
             11 vec=    10.582837      9.346552      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00002742448786
                2s
                   +0 :               0.00019713737710
                3s
                   +0 :              -0.00007470688199
                2p
                   -1 :               0.00023443309380
                   +0 :               0.00007183747129
                   +1 :               0.00014896515645
                3p
                   -1 :              -0.00018720064299
                   +0 :              -0.00000893562662
                   +1 :              -0.00007014249708
                3d
                   -2 :              -0.00001126432842
                   -1 :              -0.00001192785908
                   +0 :               0.00001363686603
                   +1 :              -0.00000097460804
                   +2 :               0.00000333286762
             12 vec=     2.802674     13.838431      8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00004183749532
                2s
                   +0 :              -0.00018928489384
                3s
                   +0 :               0.00015467833215
                2p
                   -1 :               0.00007569441400
                   +0 :              -0.00011167038866
                   +1 :              -0.00023729501693
                3p
                   -1 :               0.00000769425071
                   +0 :               0.00013875268016
                   +1 :               0.00022020946012
                3d
                   -2 :               0.00000049769488
                   -1 :               0.00000645112521
                   +0 :               0.00000582965383
                   +1 :               0.00001287035807
                   +2 :               0.00000174429399
             13 vec=     2.802674     -4.129085    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00001238892270
                2s
                   +0 :              -0.00008049767586
                3s
                   +0 :               0.00004292722679
                2p
                   -1 :              -0.00009297133241
                   +0 :               0.00005850578610
                   +1 :              -0.00001583884933
                3p
                   -1 :               0.00003465695278
                   +0 :              -0.00003687777196
                   +1 :               0.00001454926975
                3d
                   -2 :               0.00000069671677
                   -1 :               0.00000451178790
                   +0 :               0.00000929068014
                   +1 :              -0.00000026409436
                   +2 :               0.00000378372229
             14 vec=    -4.977489      0.362794    -16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00000683319073
                2s
                   +0 :               0.00002936217206
                3s
                   +0 :              -0.00002409151379
                2p
                   -1 :              -0.00001899657912
                   +0 :              -0.00003314869122
                   +1 :              -0.00007298769961
                3p
                   -1 :               0.00000159247180
                   +0 :               0.00005481914738
                   +1 :               0.00005805325859
                3d
                   -2 :              -0.00000374076392
                   -1 :              -0.00000135050199
                   +0 :              -0.00000449232949
                   +1 :              -0.00000179171215
                   +2 :              -0.00000023755921
             15 vec=     2.802674      4.854673    -16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000820668611
                2s
                   +0 :               0.00008772693444
                3s
                   +0 :               0.00000251048538
                2p
                   -1 :               0.00001723063892
                   +0 :              -0.00000489987705
                   +1 :               0.00005242348440
                3p
                   -1 :              -0.00003647138577
                   +0 :              -0.00005431073231
                   +1 :              -0.00001941119198
                3d
                   -2 :               0.00000006465561
                   -1 :               0.00000429486424
                   +0 :               0.00000465379741
                   +1 :              -0.00000601329809
                   +2 :               0.00000371318238
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 19)  npairs=  14
              1 vec=     2.593388      1.738956      4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00056902292240
                2s
                   +0 :               0.01581984836913
                3s
                   +0 :               0.00297294897141
                2p
                   -1 :              -0.00444021541649
                   +0 :               0.01262572887746
                   +1 :               0.00329791510969
                3p
                   -1 :               0.00106148830848
                   +0 :               0.00200050427047
                   +1 :               0.00528728849084
                3d
                   -2 :               0.00005465001762
                   -1 :              -0.00023744221740
                   +0 :               0.00131845149654
                   +1 :               0.00194154701620
                   +2 :               0.00074858201881
              2 vec=    -5.186775     -2.752923      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00131221737093
                2s
                   +0 :              -0.00877144558984
                3s
                   +0 :               0.00434995951422
                2p
                   -1 :               0.00824724599777
                   +0 :              -0.00105760988385
                   +1 :               0.00351215341698
                3p
                   -1 :              -0.00737470082863
                   +0 :               0.00040009859795
                   +1 :              -0.00163884649785
                3d
                   -2 :               0.00040975854660
                   -1 :              -0.00001901098494
                   +0 :              -0.00014604261037
                   +1 :              -0.00013313889909
                   +2 :               0.00006079000133
              3 vec=     2.593388     -7.244802      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00001693302518
                2s
                   +0 :               0.00051478702216
                3s
                   +0 :              -0.00033293251405
                2p
                   -1 :               0.00260338721496
                   +0 :               0.00135591903456
                   +1 :              -0.00177883037929
                3p
                   -1 :              -0.00124890593411
                   +0 :              -0.00065714775628
                   +1 :               0.00101991015882
                3d
                   -2 :              -0.00007763023035
                   -1 :              -0.00005306140877
                   +0 :               0.00004553324849
                   +1 :              -0.00010387754128
                   +2 :              -0.00005622307162
              4 vec=    -5.186775      6.230835      4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00020066319211
                2s
                   +0 :               0.00087089432485
                3s
                   +0 :              -0.00033732411569
                2p
                   -1 :              -0.00272672329418
                   +0 :               0.00354039646066
                   +1 :              -0.00025827194465
                3p
                   -1 :               0.00206649595171
                   +0 :              -0.00191480545319
                   +1 :              -0.00035219534299
                3d
                   -2 :              -0.00000371792028
                   -1 :               0.00006038843164
                   +0 :               0.00001037576096
                   +1 :               0.00008234745199
                   +2 :              -0.00003563787474
              5 vec=    10.373550     -2.752923      4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00006455810694
                2s
                   +0 :               0.00026613967638
                3s
                   +0 :              -0.00020696956505
                2p
                   -1 :              -0.00022670138131
                   +0 :               0.00002755824989
                   +1 :              -0.00019065978915
                3p
                   -1 :               0.00001659711017
                   +0 :              -0.00007167967211
                   +1 :               0.00004735993537
                3d
                   -2 :              -0.00001856211247
                   -1 :              -0.00002775785588
                   +0 :              -0.00005998104049
                   +1 :              -0.00005866128427
                   +2 :              -0.00000795932397
              6 vec=     2.593388     10.722714      4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00001946781594
                2s
                   +0 :               0.00032736580950
                3s
                   +0 :              -0.00002194274715
                2p
                   -1 :              -0.00031716734623
                   +0 :               0.00095584962527
                   +1 :              -0.00087099531082
                3p
                   -1 :               0.00033544163232
                   +0 :              -0.00067908740845
                   +1 :               0.00082558348876
                3d
                   -2 :               0.00008632975639
                   -1 :              -0.00005747860993
                   +0 :               0.00007769560734
                   +1 :              -0.00003759760977
                   +2 :              -0.00006148062026
              7 vec=    10.373550      6.230835      4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00002159017256
                2s
                   +0 :               0.00034962543692
                3s
                   +0 :              -0.00010326935675
                2p
                   -1 :               0.00008713140548
                   +0 :              -0.00054877247154
                   +1 :              -0.00007006544992
                3p
                   -1 :              -0.00002674203359
                   +0 :               0.00041599771663
                   +1 :               0.00002557158819
                3d
                   -2 :              -0.00001567337391
                   -1 :               0.00000914215342
                   +0 :               0.00002213022243
                   +1 :               0.00000392526331
                   +2 :              -0.00004160228347
              8 vec=    -5.186775    -11.736681      4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00006868789797
                2s
                   +0 :              -0.00096726181765
                3s
                   +0 :               0.00007817662502
                2p
                   -1 :               0.00049848136563
                   +0 :              -0.00063101143343
                   +1 :              -0.00020487983876
                3p
                   -1 :              -0.00024751921863
                   +0 :               0.00012634288020
                   +1 :               0.00018520076049
                3d
                   -2 :              -0.00001877063128
                   -1 :              -0.00000548211776
                   +0 :              -0.00003984964669
                   +1 :               0.00000513313559
                   +2 :               0.00002571027283
              9 vec=   -12.966938      1.738956      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00005187148356
                2s
                   +0 :              -0.00021139002687
                3s
                   +0 :               0.00015894579165
                2p
                   -1 :               0.00004282093875
                   +0 :              -0.00013744075847
                   +1 :               0.00027124331748
                3p
                   -1 :              -0.00006392885264
                   +0 :               0.00009981021318
                   +1 :              -0.00032063085772
                3d
                   -2 :              -0.00000353067229
                   -1 :              -0.00000921190752
                   +0 :              -0.00000155153201
                   +1 :              -0.00000608894386
                   +2 :               0.00003467476858
             10 vec=   -12.966938     -7.244802      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00001215380939
                2s
                   +0 :              -0.00009230258875
                3s
                   +0 :               0.00003030383688
                2p
                   -1 :              -0.00008488956049
                   +0 :               0.00001179706714
                   +1 :               0.00002121455166
                3p
                   -1 :               0.00005143353398
                   +0 :              -0.00003489503619
                   +1 :               0.00004231815143
                3d
                   -2 :              -0.00001339639159
                   -1 :               0.00000866963734
                   +0 :               0.00000500955547
                   +1 :              -0.00000320761230
                   +2 :              -0.00000219535980
             11 vec=    10.373550    -11.736681      4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00000919879813
                2s
                   +0 :              -0.00001490262495
                3s
                   +0 :              -0.00004046844969
                2p
                   -1 :               0.00003383936598
                   +0 :              -0.00004374502095
                   +1 :              -0.00005994052491
                3p
                   -1 :               0.00001077186793
                   +0 :              -0.00000577874192
                   +1 :              -0.00002407655041
                3d
                   -2 :              -0.00000176472591
                   -1 :              -0.00000578643773
                   +0 :               0.00000901115083
                   +1 :              -0.00000255620441
                   +2 :               0.00000025729607
             12 vec=    -5.186775     15.214593      4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00004159102719
                2s
                   +0 :               0.00028374410423
                3s
                   +0 :              -0.00008575341720
                2p
                   -1 :               0.00018265013606
                   +0 :              -0.00015063448547
                   +1 :              -0.00004492046385
                3p
                   -1 :              -0.00003403609882
                   +0 :               0.00020201353397
                   +1 :              -0.00000434706448
                3d
                   -2 :               0.00000618111559
                   -1 :               0.00001723464944
                   +0 :              -0.00000760846550
                   +1 :               0.00000302670237
                   +2 :              -0.00000804199671
             13 vec=     2.593388    -16.228560      4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00002903738587
                2s
                   +0 :              -0.00020302320046
                3s
                   +0 :               0.00006192102894
                2p
                   -1 :               0.00012626893290
                   +0 :              -0.00003362594150
                   +1 :              -0.00011896135761
                3p
                   -1 :              -0.00005060181013
                   +0 :              -0.00000774058197
                   +1 :               0.00009726621232
                3d
                   -2 :              -0.00000495813848
                   -1 :              -0.00000356415041
                   +0 :              -0.00000875179720
                   +1 :               0.00000217347779
                   +2 :               0.00001031243005
             14 vec=   -12.966938     10.722714      4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00002413403847
                2s
                   +0 :               0.00014883910072
                3s
                   +0 :              -0.00006458922837
                2p
                   -1 :               0.00001495670454
                   +0 :              -0.00001059924332
                   +1 :               0.00003857051122
                3p
                   -1 :               0.00002299763538
                   +0 :               0.00002090377956
                   +1 :              -0.00005619226146
                3d
                   -2 :              -0.00000704871602
                   -1 :               0.00000245175135
                   +0 :               0.00000253579774
                   +1 :              -0.00000066234918
                   +2 :              -0.00000980733748
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 20)  npairs=  14
              1 vec=    -2.174815      1.738956      4.091257   |vec|=    4.948957
                1s
                   +0 :              -0.00145141614437
                2s
                   +0 :               0.03476163020399
                3s
                   +0 :              -0.00335433690932
                2p
                   -1 :               0.00001343286905
                   +0 :               0.02147281218114
                   +1 :              -0.00983986896144
                3p
                   -1 :              -0.00549815011638
                   +0 :              -0.00132420627846
                   +1 :               0.00055565547563
                3d
                   -2 :               0.00009913995969
                   -1 :              -0.00111997559888
                   +0 :               0.00167374178552
                   +1 :              -0.00126991488371
                   +2 :               0.00111656833185
              2 vec=     5.605348     -2.752923      4.091257   |vec|=    7.465715
                1s
                   +0 :               0.00019329682712
                2s
                   +0 :              -0.00145953878191
                3s
                   +0 :               0.00077667227634
                2p
                   -1 :               0.00177391138880
                   +0 :               0.00098406294481
                   +1 :              -0.00187725548744
                3p
                   -1 :              -0.00155360761107
                   +0 :              -0.00165800922292
                   +1 :               0.00051179579470
                3d
                   -2 :              -0.00012516490542
                   -1 :              -0.00004025174854
                   +0 :              -0.00022641014063
                   +1 :               0.00015786457648
                   +2 :               0.00015095067263
              3 vec=    -2.174815     -7.244802      4.091257   |vec|=    8.599730
                1s
                   +0 :               0.00027516367827
                2s
                   +0 :              -0.00083789638449
                3s
                   +0 :               0.00012510820256
                2p
                   -1 :               0.00178236711643
                   +0 :               0.00264722876209
                   +1 :               0.00060233406124
                3p
                   -1 :              -0.00067689560623
                   +0 :              -0.00272081265699
                   +1 :              -0.00025071632060
                3d
                   -2 :               0.00003561998009
                   -1 :               0.00006076240245
                   +0 :              -0.00020583116725
                   +1 :              -0.00001892237305
                   +2 :              -0.00007013830822
              4 vec=     5.605348      6.230835      4.091257   |vec|=    9.326393
                1s
                   +0 :              -0.00067127027567
                2s
                   +0 :               0.00394252274170
                3s
                   +0 :              -0.00159768204308
                2p
                   -1 :               0.00032338945065
                   +0 :               0.00152918034097
                   +1 :               0.00240262293586
                3p
                   -1 :              -0.00005435537008
                   +0 :               0.00019396123791
                   +1 :              -0.00166598561441
                3d
                   -2 :              -0.00020364113145
                   -1 :              -0.00010672420395
                   +0 :               0.00019328528029
                   +1 :               0.00004576077648
                   +2 :              -0.00007650536031
              5 vec=    -9.954977     -2.752923      4.091257   |vec|=   11.109390
                1s
                   +0 :               0.00005990591360
                2s
                   +0 :              -0.00058589295051
                3s
                   +0 :               0.00031232325592
                2p
                   -1 :              -0.00004622534439
                   +0 :              -0.00026302262370
                   +1 :               0.00186857996649
                3p
                   -1 :              -0.00014905251623
                   +0 :               0.00020644712816
                   +1 :              -0.00159028231323
                3d
                   -2 :               0.00007803250575
                   -1 :              -0.00001365423908
                   +0 :              -0.00017413302898
                   +1 :               0.00002902605499
                   +2 :               0.00011998830890
              6 vec=    -2.174815     10.722714      4.091257   |vec|=   11.680959
                1s
                   +0 :               0.00005847766740
                2s
                   +0 :              -0.00006502381609
                3s
                   +0 :               0.00017012439609
                2p
                   -1 :              -0.00025663226394
                   +0 :              -0.00030092133716
                   +1 :              -0.00054542158036
                3p
                   -1 :               0.00049157527070
                   +0 :               0.00027601361258
                   +1 :               0.00054047461764
                3d
                   -2 :              -0.00006930054814
                   -1 :              -0.00000322262736
                   +0 :              -0.00009979458016
                   +1 :              -0.00008227364657
                   +2 :              -0.00011760647548
              7 vec=    -9.954977      6.230835      4.091257   |vec|=   12.436369
                1s
                   +0 :              -0.00002647444633
                2s
                   +0 :               0.00036601343504
                3s
                   +0 :              -0.00011417109702
                2p
                   -1 :               0.00008833147601
                   +0 :               0.00007708196851
                   +1 :              -0.00085663810940
                3p
                   -1 :               0.00000914082567
                   +0 :              -0.00026808817624
                   +1 :               0.00075201326169
                3d
                   -2 :              -0.00001362232891
                   -1 :              -0.00003547170973
                   +0 :               0.00000318754563
                   +1 :               0.00004959868012
                   +2 :              -0.00003592981724
              8 vec=     5.605348    -11.736681      4.091257   |vec|=   13.634808
                1s
                   +0 :               0.00000756786791
                2s
                   +0 :              -0.00050258352028
                3s
                   +0 :              -0.00012415361621
                2p
                   -1 :               0.00008312561077
                   +0 :              -0.00029438051821
                   +1 :              -0.00015431294717
                3p
                   -1 :               0.00024361436658
                   +0 :              -0.00013810030472
                   +1 :               0.00003966371395
                3d
                   -2 :               0.00002780786604
                   -1 :               0.00002335610742
                   +0 :               0.00000484183233
                   +1 :              -0.00000491904532
                   +2 :               0.00001766475750
              9 vec=    13.385510      1.738956      4.091257   |vec|=   14.104405
                1s
                   +0 :              -0.00002433467054
                2s
                   +0 :               0.00020555429783
                3s
                   +0 :              -0.00004225650080
                2p
                   -1 :              -0.00012229217072
                   +0 :              -0.00005762582194
                   +1 :              -0.00006483984382
                3p
                   -1 :               0.00008313313263
                   +0 :               0.00006181332591
                   +1 :               0.00017571795751
                3d
                   -2 :               0.00000105127982
                   -1 :               0.00000207276011
                   +0 :              -0.00000362660340
                   +1 :               0.00000782858211
                   +2 :               0.00002218055852
             10 vec=    13.385510     -7.244802      4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000482413745
                2s
                   +0 :               0.00001194131678
                3s
                   +0 :              -0.00002826245557
                2p
                   -1 :               0.00003727025997
                   +0 :               0.00003250487213
                   +1 :              -0.00003343884966
                3p
                   -1 :              -0.00005204766207
                   +0 :              -0.00005820947261
                   +1 :              -0.00001072431300
                3d
                   -2 :              -0.00000312321689
                   -1 :              -0.00000257060188
                   +0 :              -0.00000332617858
                   +1 :               0.00000273505651
                   +2 :              -0.00000508203283
             11 vec=    -9.954977    -11.736681      4.091257   |vec|=   15.924498
                1s
                   +0 :               0.00006922888434
                2s
                   +0 :              -0.00049183487065
                3s
                   +0 :               0.00021930120562
                2p
                   -1 :               0.00025373786616
                   +0 :              -0.00003101899848
                   +1 :               0.00040788540373
                3p
                   -1 :              -0.00011450679798
                   +0 :               0.00001482910125
                   +1 :              -0.00026268349547
                3d
                   -2 :               0.00000982904676
                   -1 :               0.00000549865356
                   +0 :               0.00001493568827
                   +1 :              -0.00000153145087
                   +2 :               0.00001409171907
             12 vec=     5.605348     15.214593      4.091257   |vec|=   16.722504
                1s
                   +0 :              -0.00000986161748
                2s
                   +0 :               0.00008911640067
                3s
                   +0 :              -0.00002730437388
                2p
                   -1 :               0.00025887244875
                   +0 :               0.00008088618228
                   +1 :               0.00037367079235
                3p
                   -1 :              -0.00020641992406
                   +0 :              -0.00004292052599
                   +1 :              -0.00032347188082
                3d
                   -2 :              -0.00002160882508
                   -1 :              -0.00000585724164
                   +0 :               0.00001026926766
                   +1 :              -0.00001065444419
                   +2 :               0.00000967049297
             13 vec=    -2.174815    -16.228560      4.091257   |vec|=   16.877036
                1s
                   +0 :               0.00003225265765
                2s
                   +0 :              -0.00022520879278
                3s
                   +0 :               0.00009509875012
                2p
                   -1 :               0.00014754997452
                   +0 :              -0.00005989238356
                   +1 :               0.00018783377947
                3p
                   -1 :              -0.00006134871987
                   +0 :               0.00001890073338
                   +1 :              -0.00014291508742
                3d
                   -2 :               0.00001280122925
                   -1 :              -0.00000122164245
                   +0 :               0.00000018286258
                   +1 :               0.00000091691474
                   +2 :               0.00000118759325
             14 vec=    13.385510     10.722714      4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00000039108581
                2s
                   +0 :              -0.00001586179375
                3s
                   +0 :               0.00001153650812
                2p
                   -1 :              -0.00001956798590
                   +0 :              -0.00002692461307
                   +1 :              -0.00009590734880
                3p
                   -1 :               0.00001362300169
                   +0 :               0.00002466208292
                   +1 :               0.00010665799220
                3d
                   -2 :               0.00000220693718
                   -1 :              -0.00000034988741
                   +0 :              -0.00000524035999
                   +1 :               0.00000124064028
                   +2 :               0.00001133216705
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 21)  npairs=  14
              1 vec=     0.209286     -3.115418      4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00181314078318
                2s
                   +0 :              -0.04346474324786
                3s
                   +0 :               0.00253833975367
                2p
                   -1 :               0.01033228180096
                   +0 :              -0.02297176188519
                   +1 :               0.00179097157304
                3p
                   -1 :               0.00411121449210
                   +0 :              -0.00106913858767
                   +1 :              -0.00278316344472
                3d
                   -2 :               0.00008061607278
                   -1 :               0.00223425301809
                   +0 :              -0.00140032433677
                   +1 :               0.00068760515368
                   +2 :               0.00056934803503
              2 vec=     0.209286      5.868340      4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00136914131287
                2s
                   +0 :               0.01155916216570
                3s
                   +0 :              -0.00591884354387
                2p
                   -1 :               0.01527657967566
                   +0 :               0.01301236830623
                   +1 :               0.00047181643355
                3p
                   -1 :              -0.01175487750213
                   +0 :              -0.00884964114716
                   +1 :              -0.00121905525164
                3d
                   -2 :              -0.00006770511928
                   -1 :              -0.00135293253175
                   +0 :              -0.00049866528639
                   +1 :               0.00001159962885
                   +2 :               0.00067524408785
              3 vec=    -7.570876      1.376461      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00020223876318
                2s
                   +0 :              -0.00125509729915
                3s
                   +0 :               0.00068054059875
                2p
                   -1 :              -0.00188798181730
                   +0 :              -0.00010763621015
                   +1 :              -0.00141855337763
                3p
                   -1 :               0.00144954260209
                   +0 :              -0.00037177719934
                   +1 :               0.00104104998389
                3d
                   -2 :               0.00001444269216
                   -1 :              -0.00008653146246
                   +0 :              -0.00008682009072
                   +1 :               0.00009223355675
                   +2 :              -0.00018390889164
              4 vec=     7.989449      1.376461      4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00023195431147
                2s
                   +0 :              -0.00147954391370
                3s
                   +0 :               0.00075792226822
                2p
                   -1 :               0.00094660401378
                   +0 :              -0.00056651282531
                   +1 :               0.00082419900890
                3p
                   -1 :              -0.00103255230135
                   +0 :               0.00014513080569
                   +1 :              -0.00029302705137
                3d
                   -2 :              -0.00005294537697
                   -1 :              -0.00006749541357
                   +0 :               0.00003807430082
                   +1 :              -0.00018057631878
                   +2 :              -0.00009609352221
              5 vec=    -7.570876     -7.607297      4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00007033212815
                2s
                   +0 :               0.00019364943770
                3s
                   +0 :              -0.00047215623167
                2p
                   -1 :              -0.00094856320148
                   +0 :               0.00009223333357
                   +1 :               0.00031145007167
                3p
                   -1 :               0.00116718955198
                   +0 :              -0.00044593584608
                   +1 :               0.00028842545205
                3d
                   -2 :              -0.00008538252442
                   -1 :              -0.00000969566446
                   +0 :               0.00006544844381
                   +1 :               0.00006380858745
                   +2 :               0.00002777504033
              6 vec=     7.989449     -7.607297      4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00003052738968
                2s
                   +0 :              -0.00036712491427
                3s
                   +0 :               0.00004564749095
                2p
                   -1 :               0.00051177804944
                   +0 :              -0.00037328723101
                   +1 :              -0.00053135220965
                3p
                   -1 :              -0.00045543978512
                   +0 :               0.00027259221028
                   +1 :               0.00027210327091
                3d
                   -2 :               0.00000646577210
                   -1 :              -0.00002833822746
                   +0 :               0.00003981216684
                   +1 :               0.00000193033394
                   +2 :              -0.00000198543401
              7 vec=     0.209286    -12.099176      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00000271179983
                2s
                   +0 :              -0.00037605724332
                3s
                   +0 :              -0.00005068461817
                2p
                   -1 :              -0.00054843850185
                   +0 :               0.00010613008834
                   +1 :               0.00021653668798
                3p
                   -1 :               0.00058379788067
                   +0 :              -0.00020071517004
                   +1 :              -0.00011283455070
                3d
                   -2 :              -0.00001060140775
                   -1 :               0.00001747029507
                   +0 :               0.00000272873154
                   +1 :               0.00000701226446
                   +2 :               0.00001857184214
              8 vec=    -7.570876     10.360219      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00004522575784
                2s
                   +0 :               0.00053941181969
                3s
                   +0 :               0.00000876608190
                2p
                   -1 :               0.00017912390347
                   +0 :              -0.00002464627295
                   +1 :               0.00035851023783
                3p
                   -1 :              -0.00019125868330
                   +0 :               0.00030599274034
                   +1 :              -0.00045396466666
                3d
                   -2 :              -0.00002737900927
                   -1 :               0.00002285436331
                   +0 :               0.00003427694904
                   +1 :              -0.00004417249508
                   +2 :               0.00005806423422
              9 vec=     7.989449     10.360219      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00014143776525
                2s
                   +0 :              -0.00054512104505
                3s
                   +0 :               0.00046241626652
                2p
                   -1 :               0.00046780343602
                   +0 :              -0.00015195989562
                   +1 :               0.00028701876033
                3p
                   -1 :              -0.00042881535526
                   +0 :               0.00015061847876
                   +1 :              -0.00021881824325
                3d
                   -2 :              -0.00001724393506
                   -1 :              -0.00001417307173
                   +0 :               0.00001969475537
                   +1 :              -0.00002448559119
                   +2 :              -0.00000301322804
             10 vec=     0.209286     14.852098      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00001915583825
                2s
                   +0 :              -0.00008835213327
                3s
                   +0 :               0.00015916749159
                2p
                   -1 :              -0.00014414679225
                   +0 :               0.00013669612400
                   +1 :               0.00014814291027
                3p
                   -1 :               0.00020853349000
                   +0 :              -0.00005747530487
                   +1 :              -0.00012288795318
                3d
                   -2 :              -0.00001530339830
                   -1 :              -0.00000405248534
                   +0 :               0.00001514825488
                   +1 :              -0.00000946364292
                   +2 :              -0.00001141904342
             11 vec=   -15.351039     -3.115418      4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00003169136494
                2s
                   +0 :               0.00017573159986
                3s
                   +0 :              -0.00011078660098
                2p
                   -1 :              -0.00019230751262
                   +0 :              -0.00016832389580
                   +1 :              -0.00028775323996
                3p
                   -1 :               0.00013353145486
                   +0 :               0.00011226029421
                   +1 :               0.00028309270813
                3d
                   -2 :              -0.00001248552372
                   -1 :               0.00000420172972
                   +0 :               0.00001186631894
                   +1 :              -0.00000514252098
                   +2 :              -0.00002216652417
             12 vec=    15.769612     -3.115418      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00000910641587
                2s
                   +0 :              -0.00007668371176
                3s
                   +0 :               0.00002797759198
                2p
                   -1 :              -0.00005663062910
                   +0 :              -0.00002904603773
                   +1 :               0.00003890009480
                3p
                   -1 :               0.00002697191008
                   +0 :               0.00001178970860
                   +1 :              -0.00006471809190
                3d
                   -2 :              -0.00000227871494
                   -1 :              -0.00000324624047
                   +0 :               0.00000538688988
                   +1 :               0.00000528723959
                   +2 :              -0.00000366168455
             13 vec=   -15.351039      5.868340      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00000304490118
                2s
                   +0 :               0.00002252867004
                3s
                   +0 :               0.00000963433961
                2p
                   -1 :              -0.00000805195970
                   +0 :               0.00001799216259
                   +1 :               0.00005883773659
                3p
                   -1 :               0.00001543333958
                   +0 :               0.00000240546501
                   +1 :              -0.00008071174669
                3d
                   -2 :               0.00000179301702
                   -1 :              -0.00000453585789
                   +0 :               0.00000086012617
                   +1 :              -0.00000134914330
                   +2 :               0.00001243930301
             14 vec=    15.769612      5.868340      4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00001654746999
                2s
                   +0 :               0.00011962347337
                3s
                   +0 :              -0.00004884008356
                2p
                   -1 :               0.00009369320162
                   +0 :               0.00004454342133
                   +1 :               0.00004973388792
                3p
                   -1 :              -0.00006576128434
                   +0 :               0.00000243721678
                   +1 :              -0.00003958807097
                3d
                   -2 :               0.00000131058318
                   -1 :              -0.00000052156095
                   +0 :               0.00000473338214
                   +1 :               0.00000067690901
                   +2 :               0.00000387960430
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 22)  npairs=  15
              1 vec=    -2.174296      4.491580     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00009366550297
                2s
                   +0 :              -0.00021704107830
                3s
                   +0 :               0.00060107268033
                2p
                   -1 :              -0.00021544801933
                   +0 :              -0.00019575117530
                   +1 :               0.00210664710276
                3p
                   -1 :               0.00058931336585
                   +0 :              -0.00020762458562
                   +1 :              -0.00131490933809
                3d
                   -2 :              -0.00002605508822
                   -1 :              -0.00005549505718
                   +0 :              -0.00011044947866
                   +1 :              -0.00011809600672
                   +2 :               0.00011378710044
              2 vec=    -2.174296     -4.492178     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00011928625227
                2s
                   +0 :              -0.00133110013333
                3s
                   +0 :              -0.00005495049857
                2p
                   -1 :               0.00038073993829
                   +0 :               0.00247681600364
                   +1 :               0.00178145701786
                3p
                   -1 :               0.00012219289066
                   +0 :              -0.00017952412924
                   +1 :               0.00002468180449
                3d
                   -2 :              -0.00005687512487
                   -1 :              -0.00008416511140
                   +0 :              -0.00002671031321
                   +1 :              -0.00012063146199
                   +2 :               0.00001193160165
              3 vec=     5.605867     -0.000299     -8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00018366409621
                2s
                   +0 :               0.00262463418455
                3s
                   +0 :              -0.00021195968013
                2p
                   -1 :              -0.00006540282059
                   +0 :              -0.00121178836982
                   +1 :               0.00082642656671
                3p
                   -1 :              -0.00051211668590
                   +0 :              -0.00007484368136
                   +1 :              -0.00014314557405
                3d
                   -2 :               0.00004972554109
                   -1 :               0.00001019372132
                   +0 :               0.00015256853303
                   +1 :              -0.00010544193348
                   +2 :               0.00003309354074
              4 vec=    -9.954459     -0.000299     -8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00007218216833
                2s
                   +0 :               0.00041343825185
                3s
                   +0 :              -0.00020590144139
                2p
                   -1 :               0.00040101282593
                   +0 :              -0.00004561684947
                   +1 :              -0.00048695875273
                3p
                   -1 :              -0.00031472103880
                   +0 :               0.00013855577521
                   +1 :               0.00033444029512
                3d
                   -2 :               0.00002099487380
                   -1 :               0.00002738911298
                   +0 :              -0.00002869108725
                   +1 :              -0.00002150483821
                   +2 :               0.00000204032820
              5 vec=     5.605867      8.983459     -8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00012079818090
                2s
                   +0 :               0.00099452200743
                3s
                   +0 :              -0.00042330282972
                2p
                   -1 :               0.00011900212966
                   +0 :              -0.00056079432936
                   +1 :               0.00063555681503
                3p
                   -1 :              -0.00005567028590
                   +0 :               0.00032224117918
                   +1 :              -0.00060696066802
                3d
                   -2 :              -0.00008868304862
                   -1 :               0.00004118512600
                   +0 :               0.00004203226172
                   +1 :               0.00006021509091
                   +2 :              -0.00008709213065
              6 vec=     5.605867     -8.984057     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00005050689961
                2s
                   +0 :              -0.00064255867496
                3s
                   +0 :               0.00011459697876
                2p
                   -1 :               0.00029304538366
                   +0 :              -0.00020030946500
                   +1 :              -0.00028502707113
                3p
                   -1 :              -0.00010928393668
                   +0 :               0.00016628189545
                   +1 :              -0.00001463741167
                3d
                   -2 :               0.00002327457907
                   -1 :               0.00000524792987
                   +0 :              -0.00000566514394
                   +1 :              -0.00000016919841
                   +2 :              -0.00002069367654
              7 vec=    -9.954459      8.983459     -8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00002602166629
                2s
                   +0 :              -0.00018326176724
                3s
                   +0 :               0.00001050934242
                2p
                   -1 :               0.00022022523202
                   +0 :              -0.00029751621667
                   +1 :              -0.00007193387770
                3p
                   -1 :              -0.00031293841360
                   +0 :               0.00012866672346
                   +1 :               0.00004171981787
                3d
                   -2 :               0.00001835439791
                   -1 :              -0.00000411838350
                   +0 :               0.00001778280129
                   +1 :               0.00000781823837
                   +2 :               0.00001571435252
              8 vec=    -9.954459     -8.984057     -8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00001380960552
                2s
                   +0 :              -0.00010696383997
                3s
                   +0 :               0.00000646450895
                2p
                   -1 :              -0.00010286172471
                   +0 :               0.00010693724843
                   +1 :               0.00012732943699
                3p
                   -1 :               0.00010913222498
                   +0 :               0.00000636605638
                   +1 :               0.00000814738352
                3d
                   -2 :              -0.00000999826478
                   -1 :              -0.00001785791485
                   +0 :               0.00000484594892
                   +1 :               0.00000021509149
                   +2 :               0.00000262101601
              9 vec=    -2.174296     13.475338     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00003429644154
                2s
                   +0 :              -0.00022123689400
                3s
                   +0 :               0.00014265683104
                2p
                   -1 :              -0.00020362374835
                   +0 :               0.00012490414777
                   +1 :               0.00004004430366
                3p
                   -1 :               0.00019510108643
                   +0 :              -0.00012466136788
                   +1 :              -0.00004230506533
                3d
                   -2 :              -0.00000676595465
                   -1 :              -0.00001199623822
                   +0 :               0.00000521119190
                   +1 :              -0.00000578909604
                   +2 :              -0.00000033082516
             10 vec=    -2.174296    -13.475936     -8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00002008208727
                2s
                   +0 :              -0.00020974265499
                3s
                   +0 :               0.00001531438720
                2p
                   -1 :               0.00028976705988
                   +0 :              -0.00003890113624
                   +1 :              -0.00006528110841
                3p
                   -1 :              -0.00012826186663
                   +0 :               0.00009003523460
                   +1 :               0.00004525611079
                3d
                   -2 :              -0.00000087278429
                   -1 :              -0.00000201390297
                   +0 :              -0.00001049998417
                   +1 :              -0.00001104891022
                   +2 :              -0.00001641439602
             11 vec=    13.386029      4.491580     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00001583928920
                2s
                   +0 :               0.00017194603034
                3s
                   +0 :              -0.00003688821367
                2p
                   -1 :               0.00013588594947
                   +0 :              -0.00004366608518
                   +1 :               0.00004196737957
                3p
                   -1 :              -0.00010619435062
                   +0 :               0.00001079531676
                   +1 :               0.00002913225500
                3d
                   -2 :              -0.00001342258930
                   -1 :               0.00000045676463
                   +0 :              -0.00000062229538
                   +1 :              -0.00000564545450
                   +2 :               0.00000275678640
             12 vec=    13.386029     -4.492178     -8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00002493109332
                2s
                   +0 :               0.00017613151925
                3s
                   +0 :              -0.00007633643631
                2p
                   -1 :              -0.00008279069859
                   +0 :               0.00004477761928
                   +1 :               0.00003426941178
                3p
                   -1 :               0.00002230377587
                   +0 :              -0.00002630138158
                   +1 :              -0.00000654358501
                3d
                   -2 :               0.00000482881520
                   -1 :               0.00000619189615
                   +0 :              -0.00000568328365
                   +1 :               0.00000492798161
                   +2 :              -0.00000645800530
             13 vec=    -2.174296      4.491580     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000602120417
                2s
                   +0 :               0.00004128138265
                3s
                   +0 :              -0.00002800067149
                2p
                   -1 :              -0.00002336214286
                   +0 :               0.00005775201620
                   +1 :               0.00000035207685
                3p
                   -1 :              -0.00000940205158
                   +0 :              -0.00000236220504
                   +1 :              -0.00003030920910
                3d
                   -2 :              -0.00000095473688
                   -1 :               0.00000062793936
                   +0 :               0.00000193813610
                   +1 :               0.00000049305543
                   +2 :              -0.00000110899043
             14 vec=    -2.174296     -4.492178     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00001367941598
                2s
                   +0 :               0.00012135626969
                3s
                   +0 :              -0.00003276901099
                2p
                   -1 :              -0.00005066120596
                   +0 :               0.00013660732922
                   +1 :              -0.00007112456754
                3p
                   -1 :               0.00003050629778
                   +0 :              -0.00004977408305
                   +1 :               0.00004329806896
                3d
                   -2 :               0.00000060884061
                   -1 :               0.00000014157111
                   +0 :               0.00000337905348
                   +1 :               0.00000386696366
                   +2 :               0.00000250779712
             15 vec=     5.605867     -0.000299     16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000167888609
                2s
                   +0 :              -0.00005142737090
                3s
                   +0 :              -0.00000304128757
                2p
                   -1 :              -0.00018208106499
                   +0 :               0.00002111399060
                   +1 :              -0.00001071238113
                3p
                   -1 :               0.00008224943080
                   +0 :              -0.00008775090542
                   +1 :              -0.00000132958776
                3d
                   -2 :              -0.00000284458094
                   -1 :              -0.00000181924560
                   +0 :              -0.00000591575618
                   +1 :              -0.00000037382224
                   +2 :               0.00000135440169
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 23)  npairs=  15
              1 vec=     2.592869      4.491580     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00012858268129
                2s
                   +0 :              -0.00053028852230
                3s
                   +0 :               0.00067371306686
                2p
                   -1 :              -0.00200962784718
                   +0 :              -0.00029394075527
                   +1 :              -0.00235792166399
                3p
                   -1 :               0.00173070835831
                   +0 :               0.00023825461191
                   +1 :               0.00171603355043
                3d
                   -2 :               0.00012683512752
                   -1 :              -0.00014688821639
                   +0 :              -0.00009054402937
                   +1 :               0.00001648574312
                   +2 :               0.00002636562343
              2 vec=     2.592869     -4.492178     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00007739853655
                2s
                   +0 :              -0.00174814843420
                3s
                   +0 :              -0.00046310236599
                2p
                   -1 :               0.00032702261125
                   +0 :               0.00267697314386
                   +1 :              -0.00106730377599
                3p
                   -1 :               0.00048244042225
                   +0 :              -0.00020028647941
                   +1 :              -0.00047496660291
                3d
                   -2 :               0.00001751537141
                   -1 :              -0.00016031327695
                   +0 :               0.00003314757082
                   +1 :               0.00012471225995
                   +2 :               0.00014634513505
              3 vec=    -5.187294     -0.000299     -8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00005556104379
                2s
                   +0 :               0.00070635570212
                3s
                   +0 :               0.00014699054586
                2p
                   -1 :              -0.00089713365100
                   +0 :               0.00010100964403
                   +1 :              -0.00047190753021
                3p
                   -1 :               0.00026860435762
                   +0 :              -0.00061591081092
                   +1 :               0.00003515513795
                3d
                   -2 :              -0.00003222800005
                   -1 :              -0.00000435911106
                   +0 :               0.00005331932089
                   +1 :              -0.00004831381423
                   +2 :              -0.00009787560111
              4 vec=    10.373032     -0.000299     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00004045558500
                2s
                   +0 :               0.00031698218122
                3s
                   +0 :              -0.00002469822141
                2p
                   -1 :               0.00025718181525
                   +0 :               0.00027049091791
                   +1 :               0.00023893051263
                3p
                   -1 :              -0.00023760914054
                   +0 :              -0.00005691407388
                   +1 :               0.00001503907200
                3d
                   -2 :              -0.00002715791891
                   -1 :               0.00002145125046
                   +0 :               0.00001292301606
                   +1 :               0.00000365030362
                   +2 :               0.00002264136047
              5 vec=    -5.187294      8.983459     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000945743149
                2s
                   +0 :               0.00018272788066
                3s
                   +0 :               0.00000482727342
                2p
                   -1 :               0.00007295299154
                   +0 :               0.00028914258781
                   +1 :              -0.00007696218932
                3p
                   -1 :              -0.00004389514644
                   +0 :              -0.00034672811544
                   +1 :               0.00006174834000
                3d
                   -2 :               0.00001393755449
                   -1 :              -0.00004304908731
                   +0 :               0.00001751168616
                   +1 :              -0.00002209970364
                   +2 :              -0.00001372087239
              6 vec=    -5.187294     -8.984057     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00001851658493
                2s
                   +0 :              -0.00046893848854
                3s
                   +0 :              -0.00004839787083
                2p
                   -1 :               0.00010925443326
                   +0 :               0.00014533583673
                   +1 :               0.00019575354246
                3p
                   -1 :               0.00003482051252
                   +0 :              -0.00003077316379
                   +1 :               0.00000405740857
                3d
                   -2 :              -0.00002015095480
                   -1 :              -0.00001759432914
                   +0 :              -0.00001357560246
                   +1 :              -0.00001239516438
                   +2 :               0.00001564168334
              7 vec=    10.373032      8.983459     -8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00002205322771
                2s
                   +0 :              -0.00003431162586
                3s
                   +0 :               0.00007682340863
                2p
                   -1 :              -0.00001994434377
                   +0 :              -0.00005397714875
                   +1 :               0.00008201451170
                3p
                   -1 :               0.00008855470989
                   +0 :              -0.00000357037226
                   +1 :              -0.00007197328053
                3d
                   -2 :               0.00000550657275
                   -1 :              -0.00001606371171
                   +0 :               0.00000777776940
                   +1 :               0.00000026471295
                   +2 :              -0.00001326251498
              8 vec=     2.592869     13.475338     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001478286673
                2s
                   +0 :               0.00014674054958
                3s
                   +0 :              -0.00000976282272
                2p
                   -1 :               0.00012519447930
                   +0 :              -0.00004778330830
                   +1 :              -0.00011889023334
                3p
                   -1 :              -0.00000559423994
                   +0 :              -0.00002867541739
                   +1 :               0.00009742467077
                3d
                   -2 :               0.00001382490168
                   -1 :              -0.00000937177543
                   +0 :              -0.00000404872334
                   +1 :               0.00000344544648
                   +2 :              -0.00000472859783
              9 vec=    10.373032     -8.984057     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00003267354308
                2s
                   +0 :              -0.00024423213414
                3s
                   +0 :               0.00007857184466
                2p
                   -1 :               0.00000130574827
                   +0 :               0.00013675261523
                   +1 :               0.00002620581593
                3p
                   -1 :               0.00001906586489
                   +0 :              -0.00010635578844
                   +1 :              -0.00009818884293
                3d
                   -2 :               0.00000491020880
                   -1 :               0.00000326075212
                   +0 :               0.00001091950409
                   +1 :              -0.00000264732107
                   +2 :              -0.00000679738786
             10 vec=     2.592869    -13.475936     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00003583394079
                2s
                   +0 :               0.00022925565132
                3s
                   +0 :              -0.00016864920523
                2p
                   -1 :              -0.00032887489122
                   +0 :              -0.00020444427632
                   +1 :               0.00006129591793
                3p
                   -1 :               0.00023513418838
                   +0 :               0.00018074915861
                   +1 :              -0.00009501618851
                3d
                   -2 :               0.00000534990249
                   -1 :              -0.00001658002958
                   +0 :               0.00000303043797
                   +1 :               0.00000190868774
                   +2 :               0.00000987938685
             11 vec=   -12.967456      4.491580     -8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00004695302686
                2s
                   +0 :              -0.00036001191956
                3s
                   +0 :               0.00011731810393
                2p
                   -1 :              -0.00013427073311
                   +0 :              -0.00023559052916
                   +1 :               0.00019586169869
                3p
                   -1 :               0.00011557261185
                   +0 :               0.00018869493206
                   +1 :              -0.00006602871271
                3d
                   -2 :              -0.00001327038655
                   -1 :               0.00000422938563
                   +0 :               0.00000111753380
                   +1 :              -0.00000239864095
                   +2 :              -0.00000032675504
             12 vec=   -12.967456     -4.492178     -8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00001951130452
                2s
                   +0 :               0.00013777130271
                3s
                   +0 :              -0.00006697726009
                2p
                   -1 :               0.00002118724501
                   +0 :               0.00004344187693
                   +1 :              -0.00009134589637
                3p
                   -1 :               0.00000930967486
                   +0 :              -0.00003816844647
                   +1 :               0.00005582967023
                3d
                   -2 :              -0.00000799908936
                   -1 :              -0.00001252661111
                   +0 :               0.00000543862322
                   +1 :              -0.00000218278723
                   +2 :               0.00000387905985
             13 vec=     2.592869      4.491580     16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00001005925468
                2s
                   +0 :              -0.00004772336925
                3s
                   +0 :               0.00003261675657
                2p
                   -1 :              -0.00002694964256
                   +0 :               0.00000866982463
                   +1 :               0.00005862257639
                3p
                   -1 :               0.00001165968910
                   +0 :               0.00003810219931
                   +1 :              -0.00003635499615
                3d
                   -2 :               0.00000410954488
                   -1 :               0.00000080194491
                   +0 :              -0.00000137665309
                   +1 :               0.00000153911291
                   +2 :              -0.00000012544845
             14 vec=     2.592869     -4.492178     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000435138651
                2s
                   +0 :               0.00004795867370
                3s
                   +0 :              -0.00000277952388
                2p
                   -1 :              -0.00002839152806
                   +0 :               0.00001471885860
                   +1 :               0.00004081219591
                3p
                   -1 :              -0.00001042902562
                   +0 :               0.00000269276666
                   +1 :              -0.00000575398086
                3d
                   -2 :              -0.00000109627178
                   -1 :               0.00000256293512
                   +0 :               0.00000254932943
                   +1 :               0.00000153584702
                   +2 :              -0.00000056234683
             15 vec=    -5.187294     -0.000299     16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001198298815
                2s
                   +0 :              -0.00010489746903
                3s
                   +0 :               0.00003521965867
                2p
                   -1 :              -0.00014540053646
                   +0 :              -0.00010681186421
                   +1 :              -0.00007121953378
                3p
                   -1 :               0.00004588681789
                   +0 :               0.00001322143973
                   +1 :               0.00005738252631
                3d
                   -2 :               0.00000276298168
                   -1 :              -0.00000082635199
                   +0 :              -0.00001024598963
                   +1 :               0.00000651911883
                   +2 :               0.00000185860204
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 24)  npairs=  14
              1 vec=     0.209286      0.363094     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00019281411297
                2s
                   +0 :              -0.00131862048345
                3s
                   +0 :               0.00067063101238
                2p
                   -1 :               0.00104397961827
                   +0 :              -0.00105081552859
                   +1 :              -0.00033282170448
                3p
                   -1 :              -0.00180207163851
                   +0 :               0.00102311799209
                   +1 :               0.00048761961308
                3d
                   -2 :              -0.00001559632484
                   -1 :               0.00002286801478
                   +0 :              -0.00030121297773
                   +1 :              -0.00007999350141
                   +2 :              -0.00009154524600
              2 vec=     0.209286     -8.620664     -8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00003433024925
                2s
                   +0 :              -0.00091784352646
                3s
                   +0 :              -0.00012437855795
                2p
                   -1 :              -0.00012799838687
                   +0 :               0.00048781690230
                   +1 :              -0.00045300336454
                3p
                   -1 :               0.00042836006771
                   +0 :               0.00015809829813
                   +1 :               0.00030435100742
                3d
                   -2 :              -0.00003645199988
                   -1 :              -0.00002248110550
                   +0 :               0.00001564714765
                   +1 :               0.00004180446213
                   +2 :               0.00001167999239
              3 vec=    -7.570876     -4.128785     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00010898160084
                2s
                   +0 :               0.00077762919142
                3s
                   +0 :              -0.00030912185951
                2p
                   -1 :              -0.00014622160351
                   +0 :              -0.00016824399616
                   +1 :               0.00025542217423
                3p
                   -1 :              -0.00004543629561
                   +0 :              -0.00000883649394
                   +1 :              -0.00034263304575
                3d
                   -2 :               0.00004053300665
                   -1 :               0.00001456319195
                   +0 :              -0.00001536280519
                   +1 :               0.00004596239250
                   +2 :              -0.00001062465739
              4 vec=     7.989449     -4.128785     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00014074354563
                2s
                   +0 :               0.00069322172427
                3s
                   +0 :              -0.00039763683827
                2p
                   -1 :              -0.00112821005050
                   +0 :              -0.00021048758604
                   +1 :              -0.00043062566604
                3p
                   -1 :               0.00072662442873
                   +0 :               0.00025834575726
                   +1 :               0.00023659254051
                3d
                   -2 :               0.00000994208500
                   -1 :              -0.00007830745964
                   +0 :              -0.00002347142661
                   +1 :              -0.00001037332790
                   +2 :               0.00003858781633
              5 vec=    -7.570876      4.854973     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00015288167920
                2s
                   +0 :               0.00090766453397
                3s
                   +0 :              -0.00065638864374
                2p
                   -1 :               0.00049034132511
                   +0 :              -0.00036354290516
                   +1 :              -0.00103612781591
                3p
                   -1 :              -0.00029730567843
                   +0 :               0.00009755253965
                   +1 :               0.00069478219841
                3d
                   -2 :               0.00020329141431
                   -1 :               0.00008528949422
                   +0 :               0.00010105448516
                   +1 :              -0.00011313321377
                   +2 :              -0.00011599350872
              6 vec=     7.989449      4.854973     -8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00009718310413
                2s
                   +0 :               0.00091101073121
                3s
                   +0 :              -0.00016834358969
                2p
                   -1 :               0.00026497827831
                   +0 :               0.00015308655076
                   +1 :               0.00097710422345
                3p
                   -1 :              -0.00018169265954
                   +0 :              -0.00042333990919
                   +1 :              -0.00046804087364
                3d
                   -2 :              -0.00000700528541
                   -1 :               0.00002218164373
                   +0 :               0.00001497399973
                   +1 :              -0.00004983183484
                   +2 :              -0.00003418041289
              7 vec=     0.209286      9.346852     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00003588948935
                2s
                   +0 :              -0.00007106107411
                3s
                   +0 :               0.00017266283053
                2p
                   -1 :               0.00040970895339
                   +0 :              -0.00010271349077
                   +1 :              -0.00010328101249
                3p
                   -1 :              -0.00022350320533
                   +0 :               0.00009577635955
                   +1 :               0.00009188083612
                3d
                   -2 :              -0.00003453874658
                   -1 :               0.00001434668050
                   +0 :              -0.00001981488603
                   +1 :               0.00003680734025
                   +2 :               0.00000811211464
              8 vec=     0.209286      0.363094     16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00000990617166
                2s
                   +0 :              -0.00006875208861
                3s
                   +0 :               0.00003479080641
                2p
                   -1 :               0.00004873431250
                   +0 :              -0.00000101194363
                   +1 :               0.00003637684238
                3p
                   -1 :              -0.00006122969008
                   +0 :               0.00002929047788
                   +1 :              -0.00000772343582
                3d
                   -2 :               0.00000432279023
                   -1 :              -0.00000767324682
                   +0 :               0.00000249303937
                   +1 :              -0.00000218579366
                   +2 :              -0.00000322659435
              9 vec=    -7.570876    -13.112543     -8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00002783096523
                2s
                   +0 :              -0.00024181203243
                3s
                   +0 :               0.00005438840372
                2p
                   -1 :               0.00004914735573
                   +0 :               0.00008133070023
                   +1 :               0.00009741621372
                3p
                   -1 :              -0.00001324930052
                   +0 :              -0.00004941363210
                   +1 :               0.00001440006082
                3d
                   -2 :              -0.00000729483569
                   -1 :               0.00000624814591
                   +0 :               0.00000783520422
                   +1 :              -0.00000109008586
                   +2 :              -0.00000023201412
             10 vec=     7.989449    -13.112543     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00001630146890
                2s
                   +0 :              -0.00016465353264
                3s
                   +0 :               0.00002756994336
                2p
                   -1 :               0.00021147602745
                   +0 :               0.00007604920728
                   +1 :              -0.00006679203014
                3p
                   -1 :              -0.00010032447433
                   +0 :              -0.00002272171484
                   +1 :              -0.00002179069031
                3d
                   -2 :               0.00000209788720
                   -1 :               0.00000175394665
                   +0 :               0.00000225828822
                   +1 :               0.00000778459186
                   +2 :              -0.00000348123285
             11 vec=   -15.351039      0.363094     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00000962508580
                2s
                   +0 :              -0.00003280633689
                3s
                   +0 :               0.00002930775136
                2p
                   -1 :              -0.00000208019373
                   +0 :               0.00001987466068
                   +1 :              -0.00009980916985
                3p
                   -1 :               0.00004912553316
                   +0 :              -0.00004267974791
                   +1 :               0.00005894072379
                3d
                   -2 :              -0.00000757585545
                   -1 :              -0.00000298750067
                   +0 :               0.00000100330952
                   +1 :               0.00000297586115
                   +2 :              -0.00000353802518
             12 vec=    15.769612      0.363094     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000980188350
                2s
                   +0 :               0.00012119120009
                3s
                   +0 :              -0.00001331979792
                2p
                   -1 :              -0.00000894232076
                   +0 :              -0.00002294623593
                   +1 :               0.00011406431615
                3p
                   -1 :              -0.00000694550156
                   +0 :               0.00001368302994
                   +1 :              -0.00001002891573
                3d
                   -2 :               0.00000440986935
                   -1 :               0.00000317289631
                   +0 :              -0.00000061254714
                   +1 :              -0.00000381130719
                   +2 :               0.00000502850366
             13 vec=    -7.570876     13.838731     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00001397275843
                2s
                   +0 :              -0.00012766577793
                3s
                   +0 :               0.00006391499072
                2p
                   -1 :              -0.00014596969798
                   +0 :               0.00004650426322
                   +1 :               0.00004090075102
                3p
                   -1 :               0.00009647916392
                   +0 :              -0.00007451255549
                   +1 :              -0.00003408417591
                3d
                   -2 :              -0.00000349513906
                   -1 :              -0.00000873106319
                   +0 :               0.00000198602598
                   +1 :               0.00000904435019
                   +2 :              -0.00000078453900
             14 vec=     7.989449     13.838731     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000338606641
                2s
                   +0 :               0.00000793017620
                3s
                   +0 :               0.00001331029912
                2p
                   -1 :               0.00001537316140
                   +0 :              -0.00009233616195
                   +1 :              -0.00002807465266
                3p
                   -1 :              -0.00000544111812
                   +0 :               0.00006759401955
                   +1 :              -0.00000052739121
                3d
                   -2 :               0.00000025672365
                   -1 :               0.00000235934223
                   +0 :               0.00000222946239
                   +1 :               0.00000646849305
                   +2 :              -0.00000355716668
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 25)  npairs=  14
              1 vec=    -0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00002101817042
                2s
                   +0 :              -0.00041080311220
                3s
                   +0 :               0.00004041376358
                2p
                   -1 :               0.00003957790126
                   +0 :              -0.00002006185359
                   +1 :              -0.00000833487830
                3p
                   -1 :              -0.00018536741512
                   +0 :               0.00011936021199
                   +1 :               0.00004454219961
                3d
                   -2 :               0.00000793522226
                   -1 :               0.00002619639673
                   +0 :              -0.00000031435084
                   +1 :              -0.00000533146568
                   +2 :               0.00000446508951
              2 vec=    -0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00000048149721
                2s
                   +0 :               0.00017856516133
                3s
                   +0 :               0.00000581500477
                2p
                   -1 :              -0.00009634626709
                   +0 :              -0.00002624357219
                   +1 :               0.00010783717474
                3p
                   -1 :              -0.00005704115973
                   +0 :               0.00021048253075
                   +1 :              -0.00006982248647
                3d
                   -2 :              -0.00000020554982
                   -1 :              -0.00001148393665
                   +0 :               0.00005025272708
                   +1 :               0.00001293753729
                   +2 :              -0.00002939582248
              3 vec=    -0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004270810130
                2s
                   +0 :               0.00053430699347
                3s
                   +0 :               0.00004744774356
                2p
                   -1 :              -0.00000278988058
                   +0 :              -0.00005522601177
                   +1 :               0.00029849249488
                3p
                   -1 :               0.00008364956815
                   +0 :              -0.00025974830383
                   +1 :              -0.00025366169127
                3d
                   -2 :               0.00000300069747
                   -1 :              -0.00004503239698
                   +0 :               0.00005924319006
                   +1 :               0.00000460902673
                   +2 :              -0.00000690162211
              4 vec=    -0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001133573269
                2s
                   +0 :               0.00031198994784
                3s
                   +0 :               0.00002323288484
                2p
                   -1 :               0.00007659775711
                   +0 :               0.00027994331633
                   +1 :              -0.00000588013319
                3p
                   -1 :              -0.00003180813428
                   +0 :              -0.00004913513248
                   +1 :               0.00002260706051
                3d
                   -2 :               0.00002777524077
                   -1 :               0.00000090251750
                   +0 :               0.00003097316667
                   +1 :               0.00000113582384
                   +2 :              -0.00000244336832
              5 vec=     7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00009664401210
                2s
                   +0 :               0.00091022501165
                3s
                   +0 :              -0.00020231225573
                2p
                   -1 :               0.00010271191965
                   +0 :              -0.00030453454511
                   +1 :               0.00010775939494
                3p
                   -1 :               0.00000278613799
                   +0 :              -0.00005880760261
                   +1 :               0.00000299514803
                3d
                   -2 :               0.00001519590089
                   -1 :              -0.00002407767887
                   +0 :               0.00002629733118
                   +1 :              -0.00001839507120
                   +2 :               0.00001845551891
              6 vec=     7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000113211130
                2s
                   +0 :               0.00011568837680
                3s
                   +0 :               0.00005673126470
                2p
                   -1 :               0.00020495783586
                   +0 :              -0.00007785830085
                   +1 :              -0.00001154173736
                3p
                   -1 :              -0.00012840035567
                   +0 :               0.00026165025831
                   +1 :               0.00008214007339
                3d
                   -2 :               0.00001283111182
                   -1 :               0.00000391538998
                   +0 :               0.00002995297289
                   +1 :               0.00002663073293
                   +2 :               0.00000455227989
              7 vec=    -7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002777900358
                2s
                   +0 :               0.00021766572863
                3s
                   +0 :              -0.00006514228661
                2p
                   -1 :               0.00008527153802
                   +0 :              -0.00011089703995
                   +1 :              -0.00004417504842
                3p
                   -1 :              -0.00005744403198
                   +0 :               0.00000696867552
                   +1 :              -0.00000644357785
                3d
                   -2 :               0.00000939334146
                   -1 :              -0.00000172198866
                   +0 :              -0.00000145737705
                   +1 :               0.00000437791135
                   +2 :              -0.00000364083018
              8 vec=    -7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00009056233532
                2s
                   +0 :               0.00077687119290
                3s
                   +0 :              -0.00022618337327
                2p
                   -1 :               0.00007112287823
                   +0 :               0.00056191357009
                   +1 :              -0.00039877272968
                3p
                   -1 :              -0.00001521559568
                   +0 :              -0.00019304927210
                   +1 :               0.00021132768510
                3d
                   -2 :               0.00000888895852
                   -1 :               0.00002290304981
                   +0 :               0.00000094198995
                   +1 :               0.00000433115639
                   +2 :              -0.00001044634202
              9 vec=     7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001737598736
                2s
                   +0 :              -0.00015152549450
                3s
                   +0 :               0.00004063093861
                2p
                   -1 :               0.00001581862758
                   +0 :               0.00015290875306
                   +1 :              -0.00016219356970
                3p
                   -1 :              -0.00000767156294
                   +0 :              -0.00007257534161
                   +1 :               0.00010664753583
                3d
                   -2 :              -0.00000497563438
                   -1 :               0.00000417913915
                   +0 :               0.00000404173918
                   +1 :              -0.00001065575824
                   +2 :               0.00000098291622
             10 vec=     7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000592132757
                2s
                   +0 :              -0.00004044913026
                3s
                   +0 :               0.00001605308835
                2p
                   -1 :              -0.00013233630736
                   +0 :               0.00007176070521
                   +1 :              -0.00007607799790
                3p
                   -1 :               0.00011638653249
                   +0 :              -0.00012161487605
                   +1 :               0.00006388886439
                3d
                   -2 :               0.00000103129935
                   -1 :               0.00000978262799
                   +0 :              -0.00000355518513
                   +1 :               0.00001028742961
                   +2 :               0.00001014466122
             11 vec=    -7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000120908396
                2s
                   +0 :               0.00001200396026
                3s
                   +0 :              -0.00001543601784
                2p
                   -1 :              -0.00003406439746
                   +0 :               0.00000515063613
                   +1 :               0.00001454877051
                3p
                   -1 :              -0.00000499271997
                   +0 :               0.00002683177526
                   +1 :               0.00002876066112
                3d
                   -2 :               0.00000643374875
                   -1 :              -0.00000029588002
                   +0 :              -0.00000677091656
                   +1 :              -0.00000265038962
                   +2 :               0.00000169085333
             12 vec=    -7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000064026234
                2s
                   +0 :              -0.00000548063785
                3s
                   +0 :              -0.00000566126553
                2p
                   -1 :              -0.00002062096034
                   +0 :               0.00001312719010
                   +1 :               0.00019708882936
                3p
                   -1 :               0.00002736908707
                   +0 :              -0.00005251553532
                   +1 :              -0.00013728932260
                3d
                   -2 :               0.00000231758051
                   -1 :               0.00000366287311
                   +0 :              -0.00001249820014
                   +1 :              -0.00001123390015
                   +2 :              -0.00000050671760
             13 vec=    -0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001727362540
                2s
                   +0 :              -0.00020719657238
                3s
                   +0 :               0.00002127363052
                2p
                   -1 :               0.00017522137578
                   +0 :               0.00010662544426
                   +1 :              -0.00003739844266
                3p
                   -1 :              -0.00003914252758
                   +0 :              -0.00000321483566
                   +1 :               0.00003508133177
                3d
                   -2 :              -0.00000195278966
                   -1 :              -0.00000109937538
                   +0 :               0.00000002373283
                   +1 :              -0.00000290662170
                   +2 :               0.00000196921055
             14 vec=    -0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000588992167
                2s
                   +0 :              -0.00011801245357
                3s
                   +0 :               0.00000724790664
                2p
                   -1 :               0.00018653881790
                   +0 :              -0.00010457364440
                   +1 :              -0.00000361784683
                3p
                   -1 :              -0.00007512100468
                   +0 :              -0.00000872854017
                   +1 :               0.00002369401421
                3d
                   -2 :              -0.00000448995906
                   -1 :              -0.00000061110599
                   +0 :              -0.00000208509649
                   +1 :              -0.00000033723251
                   +2 :               0.00000106243257
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 26)  npairs=  18
              1 vec=     3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00008486591320
                2s
                   +0 :              -0.00051592584868
                3s
                   +0 :               0.00036920438361
                2p
                   -1 :              -0.00004662431653
                   +0 :               0.00052318952611
                   +1 :              -0.00028300103584
                3p
                   -1 :              -0.00001120379432
                   +0 :              -0.00049190244692
                   +1 :               0.00017607599419
                3d
                   -2 :              -0.00001062732378
                   -1 :               0.00001830437643
                   +0 :               0.00003440792151
                   +1 :              -0.00002528321165
                   +2 :               0.00001425894298
              2 vec=     3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00010072743238
                2s
                   +0 :               0.00082473857014
                3s
                   +0 :              -0.00036660437900
                2p
                   -1 :               0.00025062701369
                   +0 :               0.00052071116149
                   +1 :              -0.00035255753174
                3p
                   -1 :              -0.00013333165164
                   +0 :              -0.00041489299464
                   +1 :               0.00027457597045
                3d
                   -2 :               0.00001023414545
                   -1 :               0.00000633154683
                   +0 :              -0.00006151153235
                   +1 :               0.00000304594561
                   +2 :               0.00002079676633
              3 vec=    -4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00001052836577
                2s
                   +0 :               0.00006739291102
                3s
                   +0 :              -0.00005201212271
                2p
                   -1 :              -0.00035161813038
                   +0 :              -0.00003741608120
                   +1 :               0.00036148370275
                3p
                   -1 :               0.00007644288101
                   +0 :               0.00013890763290
                   +1 :              -0.00011683680330
                3d
                   -2 :               0.00001993871678
                   -1 :               0.00002865417903
                   +0 :               0.00000001367946
                   +1 :              -0.00002070170172
                   +2 :              -0.00000247209074
              4 vec=    -4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00000473470255
                2s
                   +0 :              -0.00012274934680
                3s
                   +0 :              -0.00005188521936
                2p
                   -1 :              -0.00062979253251
                   +0 :              -0.00012527538590
                   +1 :               0.00014310827454
                3p
                   -1 :               0.00016708921932
                   +0 :              -0.00005483633481
                   +1 :               0.00007556970802
                3d
                   -2 :               0.00000956599250
                   -1 :              -0.00002173650426
                   +0 :              -0.00001065450308
                   +1 :               0.00002431200964
                   +2 :              -0.00001589409421
              5 vec=    -4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00006455979797
                2s
                   +0 :               0.00041338462992
                3s
                   +0 :              -0.00019003729614
                2p
                   -1 :              -0.00020146889777
                   +0 :              -0.00033056215188
                   +1 :              -0.00006975220871
                3p
                   -1 :               0.00019340372906
                   +0 :               0.00023330826507
                   +1 :              -0.00003217237497
                3d
                   -2 :              -0.00000591855410
                   -1 :              -0.00001044036876
                   +0 :              -0.00001647544052
                   +1 :               0.00000912699241
                   +2 :              -0.00001147572816
              6 vec=    -4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001067404198
                2s
                   +0 :               0.00034254090306
                3s
                   +0 :               0.00000441808694
                2p
                   -1 :              -0.00026756123213
                   +0 :               0.00000860640439
                   +1 :              -0.00010040815286
                3p
                   -1 :               0.00027732037695
                   +0 :               0.00018633181334
                   +1 :              -0.00004746803447
                3d
                   -2 :              -0.00002378353753
                   -1 :               0.00001655234600
                   +0 :               0.00002699317512
                   +1 :              -0.00001370330210
                   +2 :               0.00001739647397
              7 vec=     3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00010003405036
                2s
                   +0 :              -0.00113817085110
                3s
                   +0 :               0.00018219355497
                2p
                   -1 :               0.00008830521955
                   +0 :               0.00064739435736
                   +1 :               0.00006680354227
                3p
                   -1 :               0.00012010337170
                   +0 :              -0.00003544739083
                   +1 :              -0.00011039077226
                3d
                   -2 :               0.00000714153987
                   -1 :              -0.00002353252305
                   +0 :              -0.00003256559465
                   +1 :               0.00001913673849
                   +2 :               0.00003238831320
              8 vec=     3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003888925231
                2s
                   +0 :              -0.00041907632534
                3s
                   +0 :               0.00010386009568
                2p
                   -1 :               0.00013526230221
                   +0 :              -0.00039473554312
                   +1 :               0.00009666785898
                3p
                   -1 :               0.00000319124332
                   +0 :               0.00011489440067
                   +1 :              -0.00003045759527
                3d
                   -2 :              -0.00000756067816
                   -1 :               0.00000907825371
                   +0 :               0.00000661639851
                   +1 :               0.00000464882963
                   +2 :               0.00000892542835
              9 vec=     3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001294988298
                2s
                   +0 :               0.00011902502553
                3s
                   +0 :              -0.00001314214331
                2p
                   -1 :               0.00000237104472
                   +0 :              -0.00005378618122
                   +1 :              -0.00005792980460
                3p
                   -1 :               0.00004944026608
                   +0 :               0.00000404219539
                   +1 :               0.00003750296054
                3d
                   -2 :               0.00000286086017
                   -1 :              -0.00000182459665
                   +0 :              -0.00000232704117
                   +1 :              -0.00000531715069
                   +2 :              -0.00000538020561
             10 vec=     3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002368061617
                2s
                   +0 :              -0.00010585740876
                3s
                   +0 :               0.00012157238712
                2p
                   -1 :              -0.00018520928728
                   +0 :              -0.00020482971277
                   +1 :               0.00003933529874
                3p
                   -1 :               0.00021420721474
                   +0 :               0.00029710991541
                   +1 :              -0.00001346201268
                3d
                   -2 :               0.00000148142868
                   -1 :               0.00001579467656
                   +0 :               0.00001906505995
                   +1 :              -0.00000067056466
                   +2 :               0.00000058580387
             11 vec=    10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00002510347196
                2s
                   +0 :               0.00019104328477
                3s
                   +0 :              -0.00009825382788
                2p
                   -1 :              -0.00009115550636
                   +0 :              -0.00008326031117
                   +1 :               0.00011305938251
                3p
                   -1 :               0.00003181650312
                   +0 :               0.00007733023086
                   +1 :              -0.00009702008025
                3d
                   -2 :               0.00000092601956
                   -1 :              -0.00000251536219
                   +0 :              -0.00000482769155
                   +1 :               0.00000618237429
                   +2 :              -0.00000908737125
             12 vec=    10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000744887717
                2s
                   +0 :               0.00002461481902
                3s
                   +0 :              -0.00002661236822
                2p
                   -1 :              -0.00001026791184
                   +0 :               0.00005590377238
                   +1 :               0.00005002890642
                3p
                   -1 :              -0.00000952039615
                   +0 :              -0.00004078957204
                   +1 :              -0.00006178486871
                3d
                   -2 :              -0.00000132329647
                   -1 :              -0.00001038023447
                   +0 :              -0.00000295176457
                   +1 :              -0.00000009151435
                   +2 :              -0.00000122308560
             13 vec=    10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002127562383
                2s
                   +0 :               0.00021576239830
                3s
                   +0 :              -0.00003561302790
                2p
                   -1 :               0.00003274990477
                   +0 :              -0.00002157590367
                   +1 :               0.00012299158126
                3p
                   -1 :               0.00002216780017
                   +0 :              -0.00002728489855
                   +1 :              -0.00004956835649
                3d
                   -2 :               0.00000306501279
                   -1 :              -0.00000048079623
                   +0 :               0.00000669103555
                   +1 :               0.00000297971495
                   +2 :              -0.00000384095460
             14 vec=    10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000395389502
                2s
                   +0 :               0.00004764672666
                3s
                   +0 :              -0.00000094497356
                2p
                   -1 :              -0.00000229086971
                   +0 :               0.00003179383634
                   +1 :               0.00003989926478
                3p
                   -1 :               0.00002371179768
                   +0 :              -0.00000899344140
                   +1 :              -0.00000783529794
                3d
                   -2 :               0.00000062395323
                   -1 :               0.00000458013238
                   +0 :              -0.00000022358987
                   +1 :               0.00000008057838
                   +2 :               0.00000313091510
             15 vec=   -12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000896824535
                2s
                   +0 :              -0.00008010236471
                3s
                   +0 :               0.00001813593124
                2p
                   -1 :               0.00009804821925
                   +0 :               0.00008813634764
                   +1 :               0.00006942826233
                3p
                   -1 :              -0.00007448314544
                   +0 :              -0.00005869077640
                   +1 :              -0.00004050219754
                3d
                   -2 :              -0.00000056737897
                   -1 :               0.00000702002913
                   +0 :               0.00000691793719
                   +1 :               0.00000338735494
                   +2 :              -0.00000125836794
             16 vec=   -12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00002285001186
                2s
                   +0 :              -0.00013569618363
                3s
                   +0 :               0.00007862161032
                2p
                   -1 :               0.00001850121183
                   +0 :              -0.00007175590820
                   +1 :              -0.00003115391900
                3p
                   -1 :              -0.00002768132007
                   +0 :               0.00003233863120
                   +1 :               0.00001466882672
                3d
                   -2 :               0.00000418096930
                   -1 :              -0.00000574882111
                   +0 :               0.00000412372292
                   +1 :               0.00000097211865
                   +2 :              -0.00000521735554
             17 vec=    -4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001055500953
                2s
                   +0 :              -0.00013552247285
                3s
                   +0 :               0.00001084103565
                2p
                   -1 :               0.00002816631527
                   +0 :               0.00001214141080
                   +1 :               0.00003837825261
                3p
                   -1 :               0.00002494372068
                   +0 :               0.00003291686142
                   +1 :              -0.00000682388090
                3d
                   -2 :              -0.00000084461989
                   -1 :              -0.00000287499847
                   +0 :              -0.00000339389463
                   +1 :               0.00000140379384
                   +2 :               0.00000407896602
             18 vec=    -4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000441645016
                2s
                   +0 :               0.00001529617073
                3s
                   +0 :              -0.00001189238331
                2p
                   -1 :               0.00001720208149
                   +0 :               0.00007156692390
                   +1 :              -0.00003764891007
                3p
                   -1 :              -0.00003251508805
                   +0 :              -0.00006053049319
                   +1 :               0.00004472191701
                3d
                   -2 :              -0.00000132948958
                   -1 :              -0.00000043796828
                   +0 :              -0.00000457729028
                   +1 :               0.00000528974199
                   +2 :              -0.00000289504252
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 27)  npairs=  14
              1 vec=    -2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005659560784
                2s
                   +0 :              -0.00037814421262
                3s
                   +0 :               0.00027581785897
                2p
                   -1 :              -0.00005034267997
                   +0 :               0.00041392317900
                   +1 :               0.00033858100467
                3p
                   -1 :              -0.00000162244044
                   +0 :              -0.00040817518267
                   +1 :              -0.00026181255626
                3d
                   -2 :               0.00000423348536
                   -1 :               0.00002234134865
                   +0 :               0.00003013704218
                   +1 :               0.00003282864693
                   +2 :               0.00000820611542
              2 vec=    -2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00007864839693
                2s
                   +0 :               0.00073705999513
                3s
                   +0 :              -0.00025913425553
                2p
                   -1 :               0.00013522848221
                   +0 :               0.00048270483750
                   +1 :               0.00038157748497
                3p
                   -1 :              -0.00007840386563
                   +0 :              -0.00032278805248
                   +1 :              -0.00026668548100
                3d
                   -2 :              -0.00001115024095
                   -1 :              -0.00000003687488
                   +0 :              -0.00002877906079
                   +1 :              -0.00001472396964
                   +2 :              -0.00001890911262
              3 vec=     5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000429137865
                2s
                   +0 :              -0.00009870809935
                3s
                   +0 :              -0.00003017702644
                2p
                   -1 :              -0.00041375343467
                   +0 :               0.00018992375060
                   +1 :              -0.00056256169601
                3p
                   -1 :               0.00006675113492
                   +0 :               0.00001350570744
                   +1 :               0.00020000491922
                3d
                   -2 :              -0.00000351392008
                   -1 :               0.00000919331292
                   +0 :              -0.00001772816213
                   +1 :               0.00001897892934
                   +2 :              -0.00001462909318
              4 vec=     5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004387370905
                2s
                   +0 :              -0.00003997677522
                3s
                   +0 :              -0.00023752949144
                2p
                   -1 :              -0.00067308570391
                   +0 :              -0.00019455665247
                   +1 :              -0.00009371982649
                3p
                   -1 :               0.00025330405976
                   +0 :              -0.00020564958583
                   +1 :              -0.00018000172017
                3d
                   -2 :               0.00000136061182
                   -1 :              -0.00000787993116
                   +0 :              -0.00003033216545
                   +1 :              -0.00005000371369
                   +2 :              -0.00000777844366
              5 vec=     5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00004608050263
                2s
                   +0 :               0.00032365294074
                3s
                   +0 :              -0.00011152863592
                2p
                   -1 :               0.00019486063839
                   +0 :              -0.00021555949806
                   +1 :              -0.00022126829814
                3p
                   -1 :              -0.00017911284616
                   +0 :               0.00017815835532
                   +1 :               0.00019931342139
                3d
                   -2 :              -0.00000554030369
                   -1 :               0.00001722227550
                   +0 :              -0.00002865458342
                   +1 :              -0.00000900324307
                   +2 :               0.00000743264979
              6 vec=     5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000681779149
                2s
                   +0 :               0.00017208731972
                3s
                   +0 :               0.00000564302360
                2p
                   -1 :               0.00011542163725
                   +0 :               0.00035080080347
                   +1 :               0.00038750529664
                3p
                   -1 :              -0.00012098776111
                   +0 :              -0.00025436183976
                   +1 :              -0.00024434241962
                3d
                   -2 :              -0.00003069121552
                   -1 :              -0.00000642856408
                   +0 :              -0.00001985770291
                   +1 :              -0.00001408084731
                   +2 :               0.00000432048437
              7 vec=    -2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00006174247476
                2s
                   +0 :              -0.00062988565358
                3s
                   +0 :               0.00009377199395
                2p
                   -1 :               0.00021477078284
                   +0 :               0.00034514862450
                   +1 :               0.00017043124206
                3p
                   -1 :              -0.00004173119380
                   +0 :              -0.00003997224588
                   +1 :              -0.00010453475891
                3d
                   -2 :              -0.00000404485927
                   -1 :              -0.00001900293560
                   +0 :              -0.00000576342945
                   +1 :               0.00000665691006
                   +2 :               0.00000148391153
              8 vec=    -2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00003282452788
                2s
                   +0 :              -0.00033574132432
                3s
                   +0 :               0.00011318179213
                2p
                   -1 :               0.00001637420142
                   +0 :              -0.00016297374631
                   +1 :              -0.00010559830681
                3p
                   -1 :               0.00006526554345
                   +0 :               0.00003075600882
                   +1 :              -0.00001881609055
                3d
                   -2 :               0.00000353406285
                   -1 :               0.00000929515424
                   +0 :               0.00001446078806
                   +1 :              -0.00001319145562
                   +2 :               0.00001054478462
              9 vec=    -2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000400776451
                2s
                   +0 :               0.00002627585096
                3s
                   +0 :              -0.00000102305125
                2p
                   -1 :               0.00009265629004
                   +0 :               0.00010374296411
                   +1 :               0.00005498394447
                3p
                   -1 :              -0.00004614497737
                   +0 :              -0.00011130944475
                   +1 :              -0.00005403316795
                3d
                   -2 :              -0.00000571597663
                   -1 :               0.00000067119019
                   +0 :               0.00000689057307
                   +1 :               0.00000741918120
                   +2 :               0.00000363359010
             10 vec=    -2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00003921708056
                2s
                   +0 :               0.00025044423788
                3s
                   +0 :              -0.00010875213631
                2p
                   -1 :               0.00032905314602
                   +0 :               0.00025757790037
                   +1 :               0.00007818447358
                3p
                   -1 :              -0.00024803392025
                   +0 :              -0.00013015842152
                   +1 :              -0.00009868164715
                3d
                   -2 :               0.00000654473412
                   -1 :              -0.00002399989401
                   +0 :              -0.00000788267995
                   +1 :              -0.00000284756949
                   +2 :               0.00000953702136
             11 vec=   -10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002489478625
                2s
                   +0 :               0.00022102421340
                3s
                   +0 :              -0.00009529442196
                2p
                   -1 :               0.00003505766239
                   +0 :              -0.00016524556624
                   +1 :              -0.00008477179257
                3p
                   -1 :              -0.00001266314346
                   +0 :               0.00010366602334
                   +1 :               0.00005994464746
                3d
                   -2 :              -0.00000473624248
                   -1 :              -0.00000225358100
                   +0 :              -0.00000687150288
                   +1 :              -0.00000569745260
                   +2 :               0.00000000076824
             12 vec=   -10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001719765566
                2s
                   +0 :               0.00010922709276
                3s
                   +0 :              -0.00004980829557
                2p
                   -1 :              -0.00012514308128
                   +0 :               0.00005535929330
                   +1 :              -0.00012141543080
                3p
                   -1 :               0.00008839171621
                   +0 :              -0.00004056509665
                   +1 :               0.00009836372847
                3d
                   -2 :               0.00000633127899
                   -1 :               0.00000115124864
                   +0 :               0.00000241108791
                   +1 :               0.00000279090960
                   +2 :              -0.00000489239412
             13 vec=   -10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00005925578758
                2s
                   +0 :              -0.00047008744002
                3s
                   +0 :               0.00012114880417
                2p
                   -1 :               0.00005414281740
                   +0 :               0.00011172514222
                   +1 :              -0.00017054357137
                3p
                   -1 :              -0.00005942931710
                   +0 :              -0.00000405917464
                   +1 :               0.00016908368958
                3d
                   -2 :               0.00001137436847
                   -1 :              -0.00000555980357
                   +0 :              -0.00001480073797
                   +1 :              -0.00001291953812
                   +2 :              -0.00001023449493
             14 vec=   -10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000333638174
                2s
                   +0 :               0.00002459257367
                3s
                   +0 :               0.00001412162062
                2p
                   -1 :               0.00001584986012
                   +0 :               0.00001896717235
                   +1 :              -0.00008937063698
                3p
                   -1 :               0.00002058287248
                   +0 :               0.00000171455097
                   +1 :               0.00004227898546
                3d
                   -2 :               0.00000474568845
                   -1 :               0.00000156319892
                   +0 :               0.00000022059408
                   +1 :               0.00000687962204
                   +2 :              -0.00000568848067
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 28)  npairs=  12
              1 vec=    -4.768202     -0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00097011373233
                2s
                   +0 :               0.00240559194449
                3s
                   +0 :              -0.00191411902943
                2p
                   -1 :              -0.01157305646715
                   +0 :               0.00160504142302
                   +1 :               0.00579319879763
                3p
                   -1 :               0.00044644742587
                   +0 :               0.00004171740272
                   +1 :              -0.00278950174973
                3d
                   -2 :               0.00120815099995
                   -1 :              -0.00010612038341
                   +0 :              -0.00070825235371
                   +1 :               0.00003158806448
                   +2 :               0.00005875592414
              2 vec=     3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00233594184161
                2s
                   +0 :              -0.04763402582321
                3s
                   +0 :               0.00354646054080
                2p
                   -1 :               0.02517496524317
                   +0 :              -0.00110458915233
                   +1 :              -0.02092498945247
                3p
                   -1 :               0.00154339588088
                   +0 :               0.00170636386458
                   +1 :               0.00259275489870
                3d
                   -2 :               0.00206043862468
                   -1 :              -0.00085816412822
                   +0 :               0.00119245066240
                   +1 :              -0.00048060652130
                   +2 :               0.00090103172942
              3 vec=     3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00008069863494
                2s
                   +0 :               0.03664613687383
                3s
                   +0 :               0.00499567360262
                2p
                   -1 :               0.01958838014830
                   +0 :              -0.00575875334440
                   +1 :               0.01729396759730
                3p
                   -1 :               0.00645293590839
                   +0 :               0.00591545289570
                   +1 :               0.00716761159361
                3d
                   -2 :               0.00324109696282
                   -1 :               0.00079931034126
                   +0 :              -0.00176352647284
                   +1 :               0.00036566041183
                   +2 :              -0.00096864191042
              4 vec=    -4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00043041942841
                2s
                   +0 :              -0.00522199657122
                3s
                   +0 :               0.00037570960782
                2p
                   -1 :               0.00696553702826
                   +0 :               0.00043626842368
                   +1 :               0.00261137248371
                3p
                   -1 :              -0.00089872321651
                   +0 :              -0.00007044113928
                   +1 :              -0.00028469675347
                3d
                   -2 :              -0.00027209905275
                   -1 :              -0.00006854217149
                   +0 :               0.00011459853387
                   +1 :              -0.00004849616042
                   +2 :               0.00018148464961
              5 vec=    -4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00099149289858
                2s
                   +0 :               0.00839727198954
                3s
                   +0 :              -0.00210360101436
                2p
                   -1 :               0.00546671424878
                   +0 :              -0.00004689334830
                   +1 :              -0.00647712577454
                3p
                   -1 :               0.00007262722367
                   +0 :               0.00010505009390
                   +1 :               0.00244642950162
                3d
                   -2 :              -0.00026623801048
                   -1 :               0.00019368346710
                   +0 :              -0.00041244748532
                   +1 :               0.00000519410211
                   +2 :              -0.00035886114527
              6 vec=    10.792123      0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00022029403312
                2s
                   +0 :              -0.00114931643143
                3s
                   +0 :               0.00076276344687
                2p
                   -1 :              -0.00112799884345
                   +0 :               0.00051869145429
                   +1 :              -0.00072195369478
                3p
                   -1 :               0.00049989310677
                   +0 :              -0.00049039714908
                   +1 :               0.00066168073428
                3d
                   -2 :              -0.00002879199089
                   -1 :               0.00006181762705
                   +0 :              -0.00004067298125
                   +1 :              -0.00002633651809
                   +2 :               0.00008742351414
              7 vec=   -12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00002802397201
                2s
                   +0 :              -0.00061894361910
                3s
                   +0 :               0.00001863030829
                2p
                   -1 :               0.00018042787613
                   +0 :               0.00000747575906
                   +1 :               0.00029850634266
                3p
                   -1 :              -0.00016844680864
                   +0 :               0.00001168200375
                   +1 :               0.00017766911697
                3d
                   -2 :              -0.00000176093563
                   -1 :              -0.00000045451503
                   +0 :               0.00001214522176
                   +1 :              -0.00000127233885
                   +2 :              -0.00005002779335
              8 vec=   -12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00005306917705
                2s
                   +0 :              -0.00016964121754
                3s
                   +0 :               0.00015452601377
                2p
                   -1 :              -0.00004296264255
                   +0 :               0.00005873659862
                   +1 :              -0.00013069992826
                3p
                   -1 :               0.00004687861748
                   +0 :              -0.00007098214731
                   +1 :               0.00001257291962
                3d
                   -2 :              -0.00000534928928
                   -1 :              -0.00001171939073
                   +0 :               0.00002071254849
                   +1 :              -0.00000202291124
                   +2 :               0.00000085923588
              9 vec=     3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00003514058322
                2s
                   +0 :              -0.00065795113565
                3s
                   +0 :               0.00000213649913
                2p
                   -1 :               0.00052549200265
                   +0 :               0.00007831934306
                   +1 :              -0.00038543462910
                3p
                   -1 :              -0.00000911619232
                   +0 :              -0.00005948071128
                   +1 :               0.00032946626264
                3d
                   -2 :              -0.00004603473426
                   -1 :              -0.00000895596535
                   +0 :               0.00002445502652
                   +1 :              -0.00000885613255
                   +2 :               0.00001168569154
             10 vec=     3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00007436370487
                2s
                   +0 :               0.00099286736543
                3s
                   +0 :              -0.00019978785489
                2p
                   -1 :               0.00064246350679
                   +0 :               0.00002649431916
                   +1 :              -0.00045977815994
                3p
                   -1 :              -0.00014476500056
                   +0 :               0.00001787319479
                   +1 :               0.00029343882385
                3d
                   -2 :               0.00001705824654
                   -1 :               0.00001559375074
                   +0 :              -0.00002091572517
                   +1 :              -0.00001551371175
                   +2 :              -0.00000157014682
             11 vec=    10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00005022654737
                2s
                   +0 :              -0.00059096290525
                3s
                   +0 :               0.00008294227000
                2p
                   -1 :              -0.00012855860669
                   +0 :              -0.00019651323219
                   +1 :              -0.00056228703828
                3p
                   -1 :              -0.00000749794711
                   +0 :               0.00016365396722
                   +1 :               0.00022400093453
                3d
                   -2 :              -0.00002380949356
                   -1 :              -0.00001154528545
                   +0 :              -0.00000496477619
                   +1 :              -0.00000121694253
                   +2 :               0.00000300543758
             12 vec=    10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00002651743496
                2s
                   +0 :              -0.00005683868013
                3s
                   +0 :               0.00005105289949
                2p
                   -1 :              -0.00012771612073
                   +0 :               0.00021908850778
                   +1 :              -0.00017172655221
                3p
                   -1 :              -0.00001182828698
                   +0 :              -0.00019959352179
                   +1 :               0.00012071912659
                3d
                   -2 :              -0.00002313440496
                   -1 :              -0.00000468884425
                   +0 :              -0.00000524394095
                   +1 :              -0.00000577569460
                   +2 :               0.00000281897841
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 29)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00082242188133
                2s
                   +0 :              -0.00151546326516
                3s
                   +0 :              -0.00364744282907
                2p
                   -1 :               0.87874990475577
                   +0 :              -0.02584038068222
                   +1 :              -0.00867647142815
                3p
                   -1 :              -0.04308610181551
                   +0 :               0.00923459376514
                   +1 :               0.00388559744982
                3d
                   -2 :              -0.00071433436691
                   -1 :               0.00236920573806
                   +0 :              -0.00080562131209
                   +1 :               0.00181300199263
                   +2 :              -0.00295441429624
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00008090735547
                2s
                   +0 :              -0.00065182527320
                3s
                   +0 :              -0.00001250546893
                2p
                   -1 :              -0.00226104470877
                   +0 :               0.00047525841672
                   +1 :               0.00379414721223
                3p
                   -1 :               0.00025285500631
                   +0 :              -0.00044701295657
                   +1 :              -0.00113961085754
                3d
                   -2 :               0.00012886939423
                   -1 :               0.00004078226224
                   +0 :              -0.00001942349713
                   +1 :               0.00003630691115
                   +2 :              -0.00006175732473
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00038261505362
                2s
                   +0 :               0.00198729044942
                3s
                   +0 :              -0.00123639219995
                2p
                   -1 :              -0.00177051321885
                   +0 :              -0.00020877416294
                   +1 :              -0.00176990555257
                3p
                   -1 :               0.00014602346688
                   +0 :               0.00031620318824
                   +1 :               0.00132314325538
                3d
                   -2 :               0.00018026133190
                   -1 :               0.00004432435717
                   +0 :              -0.00000328523593
                   +1 :               0.00000806405173
                   +2 :              -0.00001260327423
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00025374785604
                2s
                   +0 :              -0.00138936026825
                3s
                   +0 :               0.00043353157115
                2p
                   -1 :               0.00114301594374
                   +0 :              -0.00139336209386
                   +1 :               0.00070600682562
                3p
                   -1 :               0.00007244543803
                   +0 :               0.00136420309960
                   +1 :              -0.00130879075418
                3d
                   -2 :               0.00023480511610
                   -1 :              -0.00001019759330
                   +0 :               0.00013581680983
                   +1 :               0.00000091195103
                   +2 :              -0.00013785521536
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00004952090465
                2s
                   +0 :              -0.00012804652833
                3s
                   +0 :               0.00024434692343
                2p
                   -1 :               0.00017773183361
                   +0 :               0.00010919923991
                   +1 :               0.00253201577154
                3p
                   -1 :               0.00076844228283
                   +0 :              -0.00011306147483
                   +1 :              -0.00099538083696
                3d
                   -2 :               0.00013460247374
                   -1 :              -0.00001231290275
                   +0 :               0.00017132852810
                   +1 :              -0.00016650660676
                   +2 :              -0.00019883789627
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00025981817650
                2s
                   +0 :              -0.00165759739282
                3s
                   +0 :               0.00074405189464
                2p
                   -1 :              -0.00225508754421
                   +0 :              -0.00006340931454
                   +1 :              -0.00359810301232
                3p
                   -1 :               0.00062453132456
                   +0 :              -0.00003285115514
                   +1 :               0.00149759018525
                3d
                   -2 :               0.00003127362671
                   -1 :              -0.00007692839462
                   +0 :              -0.00010194377533
                   +1 :              -0.00000520746397
                   +2 :              -0.00008068855715
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00027008780153
                2s
                   +0 :               0.00088989818022
                3s
                   +0 :              -0.00011777721343
                2p
                   -1 :              -0.00115469458925
                   +0 :               0.00003408969511
                   +1 :               0.00160638433447
                3p
                   -1 :              -0.00075532245187
                   +0 :              -0.00012328578253
                   +1 :               0.00059499328200
                3d
                   -2 :              -0.00029416536345
                   -1 :              -0.00001372662553
                   +0 :              -0.00006532743902
                   +1 :               0.00019334628073
                   +2 :               0.00032723877786
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002425601393
                2s
                   +0 :              -0.00016764270025
                3s
                   +0 :               0.00009023805075
                2p
                   -1 :              -0.00009297956495
                   +0 :              -0.00011950629319
                   +1 :               0.00020834960662
                3p
                   -1 :               0.00005071590179
                   +0 :               0.00010457773759
                   +1 :              -0.00013599776142
                3d
                   -2 :              -0.00000478216186
                   -1 :              -0.00000072040632
                   +0 :              -0.00000589075541
                   +1 :               0.00000381460762
                   +2 :               0.00000895208591
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00009291000898
                2s
                   +0 :              -0.00108389202736
                3s
                   +0 :               0.00014631665228
                2p
                   -1 :               0.00081890769997
                   +0 :               0.00008125586401
                   +1 :               0.00057177063594
                3p
                   -1 :              -0.00005432762435
                   +0 :              -0.00008129767521
                   +1 :              -0.00005647376041
                3d
                   -2 :              -0.00005365917833
                   -1 :               0.00001779171664
                   +0 :               0.00003375838803
                   +1 :              -0.00001383705622
                   +2 :               0.00001659609694
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00007636539582
                2s
                   +0 :               0.00101765372325
                3s
                   +0 :              -0.00011131451119
                2p
                   -1 :               0.00086980518861
                   +0 :              -0.00013496431968
                   +1 :              -0.00097213294371
                3p
                   -1 :              -0.00011244688574
                   +0 :               0.00007847740599
                   +1 :               0.00026573016038
                3d
                   -2 :              -0.00004032660862
                   -1 :               0.00000328750945
                   +0 :              -0.00000924592892
                   +1 :              -0.00000957812540
                   +2 :              -0.00002571925839
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00005660641693
                2s
                   +0 :              -0.00082483160661
                3s
                   +0 :               0.00005021016133
                2p
                   -1 :               0.00081645248302
                   +0 :              -0.00011683046152
                   +1 :              -0.00027212850988
                3p
                   -1 :              -0.00007345743645
                   +0 :               0.00007818544532
                   +1 :              -0.00004283696324
                3d
                   -2 :               0.00003319614501
                   -1 :              -0.00000069697631
                   +0 :               0.00001866781805
                   +1 :               0.00000504065994
                   +2 :               0.00002476144559
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000083003339
                2s
                   +0 :               0.00054575105707
                3s
                   +0 :               0.00007228013159
                2p
                   -1 :               0.00085115333705
                   +0 :               0.00033002607117
                   +1 :               0.00071361848205
                3p
                   -1 :              -0.00020954713585
                   +0 :              -0.00032249819197
                   +1 :              -0.00023979676671
                3d
                   -2 :              -0.00000351400295
                   -1 :              -0.00004750757017
                   +0 :               0.00001197999010
                   +1 :              -0.00000556512427
                   +2 :              -0.00003446978850
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001549960426
                2s
                   +0 :               0.00009036848089
                3s
                   +0 :              -0.00005487612372
                2p
                   -1 :              -0.00002337586021
                   +0 :               0.00012658349777
                   +1 :              -0.00009565339188
                3p
                   -1 :              -0.00001050600164
                   +0 :              -0.00011619996862
                   +1 :               0.00009339076913
                3d
                   -2 :               0.00001210920535
                   -1 :               0.00000110505939
                   +0 :              -0.00002103702404
                   +1 :              -0.00000982631363
                   +2 :               0.00001348630812
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000116864225
                2s
                   +0 :              -0.00002210934093
                3s
                   +0 :              -0.00000417991491
                2p
                   -1 :               0.00003839265544
                   +0 :               0.00000246890770
                   +1 :               0.00003725028402
                3p
                   -1 :               0.00000920499474
                   +0 :              -0.00000459133670
                   +1 :              -0.00000912632773
                3d
                   -2 :              -0.00000297628907
                   -1 :              -0.00000030162691
                   +0 :               0.00000027414488
                   +1 :               0.00000039264907
                   +2 :               0.00000501072521
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001420099619
                2s
                   +0 :               0.00012651399761
                3s
                   +0 :              -0.00003251068896
                2p
                   -1 :              -0.00001164000131
                   +0 :               0.00002856093614
                   +1 :              -0.00016810809509
                3p
                   -1 :               0.00001375634809
                   +0 :              -0.00003830200049
                   +1 :               0.00006823454222
                3d
                   -2 :              -0.00000046935266
                   -1 :              -0.00000314329780
                   +0 :              -0.00000304330794
                   +1 :               0.00000282094099
                   +2 :               0.00000070566508
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002588030767
                2s
                   +0 :              -0.00026416264932
                3s
                   +0 :               0.00006172157696
                2p
                   -1 :               0.00021150198485
                   +0 :               0.00001696110542
                   +1 :               0.00004024548036
                3p
                   -1 :              -0.00004555054060
                   +0 :              -0.00002921987203
                   +1 :              -0.00002852585549
                3d
                   -2 :               0.00000159585117
                   -1 :               0.00000537603823
                   +0 :               0.00000226343361
                   +1 :              -0.00000383770434
                   +2 :              -0.00000056900001
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001287175728
                2s
                   +0 :               0.00016550916076
                3s
                   +0 :              -0.00002162977117
                2p
                   -1 :               0.00016908715818
                   +0 :              -0.00006031154942
                   +1 :               0.00000881443536
                3p
                   -1 :              -0.00001901803787
                   +0 :               0.00004309066585
                   +1 :              -0.00001113107566
                3d
                   -2 :              -0.00000239553504
                   -1 :               0.00000492227202
                   +0 :              -0.00000387053504
                   +1 :               0.00000508427222
                   +2 :               0.00000115379022
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000194226498
                2s
                   +0 :              -0.00002733699881
                3s
                   +0 :              -0.00002047434908
                2p
                   -1 :              -0.00001715160652
                   +0 :              -0.00004198067126
                   +1 :              -0.00002516342006
                3p
                   -1 :               0.00001805883134
                   +0 :               0.00003112561322
                   +1 :              -0.00004175750608
                3d
                   -2 :               0.00000057276139
                   -1 :              -0.00000088041585
                   +0 :               0.00000168198639
                   +1 :               0.00000236925680
                   +2 :              -0.00000379004556
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000603187324
                2s
                   +0 :               0.00005647851773
                3s
                   +0 :              -0.00000115918499
                2p
                   -1 :               0.00003181188780
                   +0 :               0.00002052352978
                   +1 :              -0.00000151958982
                3p
                   -1 :               0.00001038352651
                   +0 :              -0.00000811984051
                   +1 :               0.00002558865071
                3d
                   -2 :               0.00000077408897
                   -1 :              -0.00000278075550
                   +0 :               0.00000098161697
                   +1 :              -0.00000311389393
                   +2 :              -0.00000328481112
WF             site_B          number of pairs
WF( 54)=[O_17_2py]  to site O ( 30)  npairs=  12
              1 vec=    -2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00481831433155
                2s
                   +0 :              -0.10038749160358
                3s
                   +0 :               0.01129624637313
                2p
                   -1 :               0.05093608051173
                   +0 :              -0.00268138855931
                   +1 :               0.02838984646560
                3p
                   -1 :              -0.00774455461805
                   +0 :               0.00346567002168
                   +1 :              -0.00085223909574
                3d
                   -2 :              -0.00355307730084
                   -1 :              -0.00055000702436
                   +0 :               0.00244841954426
                   +1 :               0.00067285167654
                   +2 :               0.00012106941512
              2 vec=    -2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00103431964536
                2s
                   +0 :               0.04701348066109
                3s
                   +0 :               0.00226463661039
                2p
                   -1 :               0.03051325709276
                   +0 :              -0.00352917300101
                   +1 :              -0.01806882649940
                3p
                   -1 :               0.00282395441001
                   +0 :               0.00392919065498
                   +1 :              -0.00369934151960
                3d
                   -2 :              -0.00284292763580
                   -1 :              -0.00011310479733
                   +0 :              -0.00168849970168
                   +1 :              -0.00123176126674
                   +2 :              -0.00143182930902
              3 vec=     5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00129302537950
                2s
                   +0 :               0.00722454848223
                3s
                   +0 :              -0.00480023931417
                2p
                   -1 :              -0.00434250407442
                   +0 :              -0.00463990646344
                   +1 :               0.00697203930995
                3p
                   -1 :              -0.00083836185129
                   +0 :               0.00444743727245
                   +1 :              -0.00655503551950
                3d
                   -2 :              -0.00089074198057
                   -1 :              -0.00010969117692
                   +0 :               0.00022618358332
                   +1 :               0.00008023683374
                   +2 :              -0.00052569155156
              4 vec=   -10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00002792156669
                2s
                   +0 :               0.00042371296978
                3s
                   +0 :              -0.00016667291402
                2p
                   -1 :              -0.00038853402481
                   +0 :               0.00038295576914
                   +1 :              -0.00022391302068
                3p
                   -1 :               0.00002482534659
                   +0 :              -0.00031100576932
                   +1 :               0.00057008393474
                3d
                   -2 :              -0.00001933856398
                   -1 :              -0.00001827350312
                   +0 :               0.00010210276421
                   +1 :               0.00003041005436
                   +2 :              -0.00008319810958
              5 vec=     5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00070021315607
                2s
                   +0 :              -0.00643455527304
                3s
                   +0 :               0.00146278143790
                2p
                   -1 :               0.00659467856059
                   +0 :               0.00028011283690
                   +1 :              -0.00200818641985
                3p
                   -1 :              -0.00183873044183
                   +0 :              -0.00009421095378
                   +1 :              -0.00049427376222
                3d
                   -2 :               0.00027805919336
                   -1 :              -0.00005734350736
                   +0 :               0.00016887335840
                   +1 :               0.00014456059926
                   +2 :               0.00001574522264
              6 vec=     5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00096165918705
                2s
                   +0 :               0.00760021161554
                3s
                   +0 :              -0.00251927365852
                2p
                   -1 :               0.00590003865629
                   +0 :               0.00160150585822
                   +1 :               0.00396713328643
                3p
                   -1 :              -0.00211242395898
                   +0 :              -0.00154917164576
                   +1 :              -0.00158913126490
                3d
                   -2 :              -0.00000501596838
                   -1 :              -0.00007454485543
                   +0 :              -0.00003266095644
                   +1 :              -0.00004964165900
                   +2 :              -0.00003353584325
              7 vec=   -10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00001535555306
                2s
                   +0 :              -0.00009145996248
                3s
                   +0 :              -0.00007936799485
                2p
                   -1 :              -0.00041424694156
                   +0 :               0.00013193234947
                   +1 :               0.00003299050275
                3p
                   -1 :               0.00017623333619
                   +0 :              -0.00013224736440
                   +1 :               0.00003569579844
                3d
                   -2 :               0.00002971871746
                   -1 :              -0.00000137233870
                   +0 :               0.00001514685669
                   +1 :               0.00000248879704
                   +2 :               0.00001924134611
              8 vec=    -2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00003196643786
                2s
                   +0 :              -0.00074901478931
                3s
                   +0 :              -0.00008068745585
                2p
                   -1 :              -0.00000948602799
                   +0 :               0.00000719490962
                   +1 :              -0.00034415733025
                3p
                   -1 :               0.00029520487768
                   +0 :               0.00000236612801
                   +1 :               0.00001743632573
                3d
                   -2 :               0.00003126690250
                   -1 :              -0.00000753366240
                   +0 :               0.00001266115424
                   +1 :               0.00000965715200
                   +2 :              -0.00001164127186
              9 vec=   -10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00002829223310
                2s
                   +0 :              -0.00001275687403
                3s
                   +0 :               0.00012903177801
                2p
                   -1 :              -0.00029695810175
                   +0 :               0.00014443426678
                   +1 :              -0.00013059532736
                3p
                   -1 :               0.00004649321160
                   +0 :              -0.00013630282140
                   +1 :              -0.00017139544913
                3d
                   -2 :               0.00001987306221
                   -1 :               0.00000328855196
                   +0 :              -0.00004118089793
                   +1 :              -0.00000439898754
                   +2 :               0.00005510172759
             10 vec=    13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00002143770287
                2s
                   +0 :              -0.00033297162694
                3s
                   +0 :               0.00004414480763
                2p
                   -1 :               0.00017439664469
                   +0 :               0.00003711965227
                   +1 :              -0.00018813462723
                3p
                   -1 :              -0.00024066844180
                   +0 :              -0.00001364571994
                   +1 :              -0.00011171857880
                3d
                   -2 :              -0.00001980274614
                   -1 :              -0.00000140835344
                   +0 :               0.00002201933596
                   +1 :               0.00000914664349
                   +2 :              -0.00004739149631
             11 vec=    -2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00010698765147
                2s
                   +0 :               0.00108106402957
                3s
                   +0 :              -0.00025550709075
                2p
                   -1 :               0.00069899908358
                   +0 :              -0.00020633214630
                   +1 :               0.00052842408053
                3p
                   -1 :              -0.00032615129521
                   +0 :               0.00016931003289
                   +1 :              -0.00022043108153
                3d
                   -2 :               0.00000774778564
                   -1 :               0.00000362508168
                   +0 :               0.00002723601410
                   +1 :               0.00000117773456
                   +2 :               0.00003118039501
             12 vec=    13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00005570326699
                2s
                   +0 :               0.00061944694674
                3s
                   +0 :              -0.00012999725637
                2p
                   -1 :               0.00015564745883
                   +0 :               0.00001900341498
                   +1 :               0.00043400198994
                3p
                   -1 :              -0.00008240229423
                   +0 :              -0.00002196612360
                   +1 :              -0.00001656981660
                3d
                   -2 :              -0.00000050922361
                   -1 :               0.00000392749562
                   +0 :              -0.00000032008827
                   +1 :              -0.00000811031112
                   +2 :               0.00002312928141
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al(  1)  npairs=  14
              1 vec=     2.802674     -1.376461     -1.580534   |vec|=    3.499674
                2s
                   +0 :              -0.02279282932728
                2p
                   -1 :               0.01076208723891
                   +0 :               0.00424155061648
                   +1 :              -0.01954200636181
                3s
                   +0 :              -0.03158360272145
                4s
                   +0 :              -0.00964310220249
                3p
                   -1 :               0.02252115700580
                   +0 :              -0.01501928115069
                   +1 :              -0.05286406583273
                4p
                   -1 :               0.00630839740317
                   +0 :               0.00313839889713
                   +1 :              -0.00750486720541
                3d
                   -2 :               0.03050295175277
                   -1 :              -0.00147394275244
                   +0 :               0.03019818976590
                   +1 :               0.00089830539286
                   +2 :              -0.02187496564418
              2 vec=    -4.977489      3.115418     -1.580534   |vec|=    6.081062
                2s
                   +0 :               0.00166074945652
                2p
                   -1 :               0.00071208500621
                   +0 :               0.00030635612608
                   +1 :              -0.00114356292358
                3s
                   +0 :              -0.00395871534087
                4s
                   +0 :               0.00345468709900
                3p
                   -1 :              -0.00026796892944
                   +0 :               0.00130608084492
                   +1 :               0.00566887694517
                4p
                   -1 :               0.00051598533160
                   +0 :               0.00040796262463
                   +1 :              -0.00191571489261
                3d
                   -2 :               0.00153635589132
                   -1 :               0.00077788024307
                   +0 :              -0.00015331025113
                   +1 :              -0.00125287876317
                   +2 :              -0.00187081439918
              3 vec=    -4.977489     -5.868340     -1.580534   |vec|=    7.855629
                2s
                   +0 :              -0.00017344746521
                2p
                   -1 :              -0.00048072848265
                   +0 :              -0.00022075681872
                   +1 :               0.00058617627597
                3s
                   +0 :               0.00567886376849
                4s
                   +0 :              -0.00088632428500
                3p
                   -1 :              -0.00122339201080
                   +0 :               0.00138434531189
                   +1 :              -0.00795909936615
                4p
                   -1 :              -0.00033390257734
                   +0 :              -0.00104029347157
                   +1 :               0.00111107525042
                3d
                   -2 :               0.00129514989080
                   -1 :               0.00013442792520
                   +0 :              -0.00112225267537
                   +1 :               0.00078984017837
                   +2 :               0.00175179291713
              4 vec=     2.802674      7.607297     -1.580534   |vec|=    8.259784
                2s
                   +0 :               0.00055635276062
                2p
                   -1 :               0.00059088674326
                   +0 :               0.00022697740332
                   +1 :               0.00074268640729
                3s
                   +0 :              -0.00230277808961
                4s
                   +0 :               0.00079872137181
                3p
                   -1 :              -0.00209923085876
                   +0 :              -0.00100504320792
                   +1 :              -0.00372706515599
                4p
                   -1 :               0.00063919324114
                   +0 :               0.00020488885666
                   +1 :               0.00121130873026
                3d
                   -2 :              -0.00087059783937
                   -1 :              -0.00023537618376
                   +0 :              -0.00000874519985
                   +1 :               0.00079284830773
                   +2 :              -0.00002784831629
              5 vec=     2.802674    -10.360219     -1.580534   |vec|=   10.848374
                2s
                   +0 :              -0.00013545092216
                2p
                   -1 :              -0.00000669539424
                   +0 :               0.00009222408548
                   +1 :              -0.00004057692243
                3s
                   +0 :              -0.00048670634171
                4s
                   +0 :               0.00003364312412
                3p
                   -1 :               0.00107329289336
                   +0 :              -0.00123633008813
                   +1 :               0.00035322542490
                4p
                   -1 :              -0.00031894012519
                   +0 :               0.00014201760164
                   +1 :              -0.00005191870802
                3d
                   -2 :              -0.00008464348082
                   -1 :               0.00029299234671
                   +0 :              -0.00015340993981
                   +1 :              -0.00015409036058
                   +2 :               0.00014971911563
              6 vec=    10.582837      3.115418     -1.580534   |vec|=   11.144521
                2s
                   +0 :              -0.00000697497862
                2p
                   -1 :               0.00006693450409
                   +0 :              -0.00002193452678
                   +1 :              -0.00000155473369
                3s
                   +0 :              -0.00112247511881
                4s
                   +0 :               0.00033614905567
                3p
                   -1 :              -0.00066726055802
                   +0 :              -0.00047927046382
                   +1 :              -0.00070992047954
                4p
                   -1 :               0.00013941005054
                   +0 :               0.00005655282876
                   +1 :               0.00024642628142
                3d
                   -2 :              -0.00023652538552
                   -1 :              -0.00022974852074
                   +0 :              -0.00016664997424
                   +1 :              -0.00012871179300
                   +2 :               0.00014963805124
              7 vec=    10.582837     -5.868340     -1.580534   |vec|=   12.203767
                2s
                   +0 :               0.00018967438761
                2p
                   -1 :               0.00005221716009
                   +0 :              -0.00023370649383
                   +1 :               0.00012160155669
                3s
                   +0 :              -0.00037843379392
                4s
                   +0 :              -0.00010240303397
                3p
                   -1 :              -0.00032593500022
                   +0 :               0.00112391927831
                   +1 :              -0.00048637567227
                4p
                   -1 :               0.00009975617605
                   +0 :              -0.00028939037054
                   +1 :              -0.00003763436996
                3d
                   -2 :              -0.00001230691417
                   -1 :              -0.00000042393395
                   +0 :              -0.00004944893311
                   +1 :               0.00015114557952
                   +2 :              -0.00009548671036
              8 vec=   -12.757651     -1.376461     -1.580534   |vec|=   12.928666
                2s
                   +0 :               0.00009253358128
                2p
                   -1 :               0.00020287950999
                   +0 :               0.00020418809949
                   +1 :               0.00002543589646
                3s
                   +0 :              -0.00061779088918
                4s
                   +0 :               0.00031631594848
                3p
                   -1 :              -0.00099368070918
                   +0 :              -0.00085242078850
                   +1 :               0.00004357431569
                4p
                   -1 :               0.00024227282070
                   +0 :               0.00021612139733
                   +1 :              -0.00008395490372
                3d
                   -2 :               0.00022148507609
                   -1 :              -0.00002614303591
                   +0 :              -0.00011381967332
                   +1 :               0.00022607875600
                   +2 :               0.00018735168526
              9 vec=    -4.977489     12.099176     -1.580534   |vec|=   13.178146
                2s
                   +0 :              -0.00021565695149
                2p
                   -1 :              -0.00014846869058
                   +0 :              -0.00000728136640
                   +1 :              -0.00003755029974
                3s
                   +0 :               0.00048080131879
                4s
                   +0 :              -0.00024263840655
                3p
                   -1 :               0.00059548332940
                   +0 :               0.00038101043142
                   +1 :               0.00019332256706
                4p
                   -1 :              -0.00017076581578
                   +0 :              -0.00007085100176
                   +1 :              -0.00006863486033
                3d
                   -2 :               0.00002400668946
                   -1 :              -0.00002402547848
                   +0 :              -0.00011749266213
                   +1 :               0.00004089090187
                   +2 :              -0.00006833853941
             10 vec=   -12.757651      7.607297     -1.580534   |vec|=   14.937427
                2s
                   +0 :              -0.00007061690141
                2p
                   -1 :              -0.00000331334592
                   +0 :               0.00001490487611
                   +1 :              -0.00001313311304
                3s
                   +0 :               0.00032154316062
                4s
                   +0 :              -0.00009149041681
                3p
                   -1 :               0.00008568826502
                   +0 :               0.00007605783499
                   +1 :              -0.00000659727437
                4p
                   -1 :              -0.00004083071757
                   +0 :              -0.00001738982996
                   +1 :               0.00000623608265
                3d
                   -2 :              -0.00004155714775
                   -1 :               0.00001115634902
                   +0 :              -0.00007485930689
                   +1 :              -0.00003090444985
                   +2 :              -0.00003986938385
             11 vec=    -4.977489    -14.852098     -1.580534   |vec|=   15.743516
                2s
                   +0 :               0.00002005370059
                2p
                   -1 :               0.00001351576700
                   +0 :              -0.00000008354878
                   +1 :              -0.00003201121953
                3s
                   +0 :              -0.00009141845884
                4s
                   +0 :               0.00005006690120
                3p
                   -1 :              -0.00006703928146
                   +0 :              -0.00010473544002
                   +1 :               0.00018292059272
                4p
                   -1 :               0.00001213603015
                   +0 :               0.00005913939267
                   +1 :              -0.00007724066572
                3d
                   -2 :               0.00003718794930
                   -1 :               0.00002103498831
                   +0 :              -0.00001344090827
                   +1 :               0.00001026107552
                   +2 :              -0.00005306081939
             12 vec=    10.582837     12.099176     -1.580534   |vec|=   16.151921
                2s
                   +0 :               0.00003167780645
                2p
                   -1 :               0.00000100026315
                   +0 :               0.00002006902495
                   +1 :               0.00001370739922
                3s
                   +0 :              -0.00019441858144
                4s
                   +0 :               0.00006510287228
                3p
                   -1 :              -0.00000516070685
                   +0 :              -0.00014789228430
                   +1 :              -0.00012413248354
                4p
                   -1 :               0.00000822764523
                   +0 :               0.00002050302582
                   +1 :               0.00002819217761
                3d
                   -2 :              -0.00001568058033
                   -1 :              -0.00002576852602
                   +0 :              -0.00004652007193
                   +1 :              -0.00002245372020
                   +2 :              -0.00001425652877
             13 vec=   -12.757651    -10.360219     -1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00003099945425
                2p
                   -1 :               0.00000272312002
                   +0 :              -0.00000844953471
                   +1 :               0.00002273975739
                3s
                   +0 :               0.00016751870803
                4s
                   +0 :              -0.00011965111350
                3p
                   -1 :              -0.00008015656716
                   +0 :               0.00002464435194
                   +1 :              -0.00015994342923
                4p
                   -1 :               0.00006109059505
                   +0 :              -0.00000955205353
                   +1 :               0.00004789204466
                3d
                   -2 :               0.00002543632783
                   -1 :               0.00002369240707
                   +0 :               0.00002892070604
                   +1 :              -0.00001907598032
                   +2 :               0.00001566065725
             14 vec=     2.802674     16.591055     -1.580534   |vec|=   16.900182
                2s
                   +0 :               0.00001180576570
                2p
                   -1 :              -0.00002104016846
                   +0 :               0.00000882006138
                   +1 :              -0.00001139431094
                3s
                   +0 :              -0.00014515873162
                4s
                   +0 :               0.00005257269538
                3p
                   -1 :               0.00005022324429
                   +0 :              -0.00005275964706
                   +1 :               0.00005962331641
                4p
                   -1 :               0.00000314951254
                   +0 :               0.00000570097325
                   +1 :              -0.00002573032691
                3d
                   -2 :               0.00001246623732
                   -1 :              -0.00000085349081
                   +0 :              -0.00001985768716
                   +1 :              -0.00003325216045
                   +2 :              -0.00003495708474
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al(  2)  npairs=  14
              1 vec=     2.802674     -1.376461      5.671791   |vec|=    6.474477
                2s
                   +0 :              -0.00465024836555
                2p
                   -1 :               0.00079228510334
                   +0 :              -0.00287097393845
                   +1 :              -0.00214329251849
                3s
                   +0 :               0.01180530839129
                4s
                   +0 :              -0.00754748255185
                3p
                   -1 :              -0.00334394593942
                   +0 :               0.01213228714202
                   +1 :               0.00702648881122
                4p
                   -1 :               0.00181577109441
                   +0 :              -0.00559034273080
                   +1 :              -0.00347269535995
                3d
                   -2 :               0.00092361868597
                   -1 :              -0.00049190277660
                   +0 :               0.00208453604350
                   +1 :               0.00078818415270
                   +2 :              -0.00116058198345
              2 vec=    -4.977489      3.115418      5.671791   |vec|=    8.163972
                2s
                   +0 :               0.00135879667261
                2p
                   -1 :               0.00080004480520
                   +0 :               0.00048643051227
                   +1 :              -0.00098440786924
                3s
                   +0 :               0.00976767691996
                4s
                   +0 :               0.00150704949308
                3p
                   -1 :              -0.00059217107990
                   +0 :               0.00035835547624
                   +1 :              -0.00812159152425
                4p
                   -1 :               0.00172133062303
                   +0 :               0.00039304494024
                   +1 :              -0.00078239070678
                3d
                   -2 :              -0.00202672993824
                   -1 :              -0.00010666889704
                   +0 :              -0.00211837429380
                   +1 :              -0.00068903068875
                   +2 :               0.00290942009520
              3 vec=    -4.977489     -5.868340      5.671791   |vec|=    9.559395
                2s
                   +0 :               0.00043948173459
                2p
                   -1 :              -0.00015107357376
                   +0 :               0.00011289581343
                   +1 :               0.00106250213898
                3s
                   +0 :              -0.00067017177050
                4s
                   +0 :               0.00015176915729
                3p
                   -1 :               0.00091459923867
                   +0 :              -0.00061545371017
                   +1 :              -0.00479903742304
                4p
                   -1 :              -0.00016687363271
                   +0 :               0.00025207582225
                   +1 :               0.00103917742258
                3d
                   -2 :               0.00103633418474
                   -1 :              -0.00019073930753
                   +0 :               0.00018470410211
                   +1 :              -0.00091891029473
                   +2 :              -0.00021810498671
              4 vec=     2.802674      7.607297      5.671791   |vec|=    9.894198
                2s
                   +0 :              -0.00004536644647
                2p
                   -1 :               0.00029039202609
                   +0 :              -0.00036415577351
                   +1 :               0.00015558520813
                3s
                   +0 :              -0.00001989239786
                4s
                   +0 :               0.00016908654755
                3p
                   -1 :              -0.00131842687708
                   +0 :               0.00229656008926
                   +1 :              -0.00087374139461
                4p
                   -1 :               0.00071428040747
                   +0 :              -0.00063158877321
                   +1 :               0.00021486460839
                3d
                   -2 :              -0.00031116420580
                   -1 :               0.00039156465748
                   +0 :               0.00021801123268
                   +1 :               0.00013429312200
                   +2 :              -0.00033700295516
              5 vec=     2.802674    -10.360219      5.671791   |vec|=   12.139125
                2s
                   +0 :               0.00039248059899
                2p
                   -1 :              -0.00025357095006
                   +0 :               0.00015622983060
                   +1 :              -0.00009661880246
                3s
                   +0 :              -0.00068610698104
                4s
                   +0 :               0.00040025046909
                3p
                   -1 :               0.00104619043836
                   +0 :               0.00001820711770
                   +1 :               0.00007181792186
                4p
                   -1 :              -0.00032645043964
                   +0 :               0.00011925120860
                   +1 :              -0.00009023467426
                3d
                   -2 :               0.00009747635436
                   -1 :              -0.00003504846136
                   +0 :               0.00025530008805
                   +1 :              -0.00004176115339
                   +2 :               0.00009866549833
              6 vec=    10.582837      3.115418      5.671791   |vec|=   12.404494
                2s
                   +0 :               0.00049473894077
                2p
                   -1 :               0.00015824243195
                   +0 :               0.00018786627138
                   +1 :               0.00025426410521
                3s
                   +0 :              -0.00129811244541
                4s
                   +0 :               0.00026034964356
                3p
                   -1 :              -0.00061652646372
                   +0 :              -0.00068438455856
                   +1 :              -0.00121449534216
                4p
                   -1 :               0.00018012448851
                   +0 :               0.00013580594768
                   +1 :               0.00010521586446
                3d
                   -2 :              -0.00027315107641
                   -1 :              -0.00013963872107
                   +0 :               0.00011046931209
                   +1 :              -0.00042073876342
                   +2 :              -0.00029018257517
              7 vec=    10.582837     -5.868340      5.671791   |vec|=   13.364246
                2s
                   +0 :              -0.00018288751307
                2p
                   -1 :               0.00012948617338
                   +0 :              -0.00002326179112
                   +1 :              -0.00006354081677
                3s
                   +0 :               0.00095907520355
                4s
                   +0 :              -0.00023685633396
                3p
                   -1 :              -0.00071859398759
                   +0 :              -0.00002839518030
                   +1 :               0.00045491895881
                4p
                   -1 :               0.00015946949219
                   +0 :               0.00006542013321
                   +1 :              -0.00011042726717
                3d
                   -2 :              -0.00015348407142
                   -1 :              -0.00005755820046
                   +0 :               0.00002941495638
                   +1 :               0.00000295097441
                   +2 :              -0.00013200614612
              8 vec=   -12.757651     -1.376461      5.671791   |vec|=   14.029310
                2s
                   +0 :               0.00042416426793
                2p
                   -1 :               0.00017920101390
                   +0 :               0.00005509175988
                   +1 :              -0.00024514171312
                3s
                   +0 :              -0.00108993094876
                4s
                   +0 :               0.00023456036987
                3p
                   -1 :              -0.00085126242470
                   +0 :              -0.00027170873328
                   +1 :               0.00084260890241
                4p
                   -1 :               0.00019149789066
                   +0 :               0.00006752476797
                   +1 :              -0.00006647473954
                3d
                   -2 :               0.00019001502090
                   -1 :              -0.00008922795828
                   +0 :               0.00008894881550
                   +1 :               0.00015478452933
                   +2 :              -0.00015921614123
              9 vec=    -4.977489     12.099176      5.671791   |vec|=   14.259546
                2s
                   +0 :               0.00001822411071
                2p
                   -1 :              -0.00006049852894
                   +0 :               0.00001945193530
                   +1 :              -0.00002603245603
                3s
                   +0 :              -0.00012809717917
                4s
                   +0 :               0.00010749721399
                3p
                   -1 :               0.00025558179769
                   +0 :              -0.00027537603441
                   +1 :               0.00021203837301
                4p
                   -1 :               0.00000136124256
                   +0 :               0.00008736345418
                   +1 :              -0.00004152460610
                3d
                   -2 :              -0.00007877838013
                   -1 :               0.00003430162568
                   +0 :               0.00000709870600
                   +1 :               0.00003715388150
                   +2 :              -0.00010735789334
             10 vec=   -12.757651      7.607297      5.671791   |vec|=   15.899618
                2s
                   +0 :               0.00007935800861
                2p
                   -1 :               0.00001558131400
                   +0 :              -0.00000523070979
                   +1 :              -0.00000712171555
                3s
                   +0 :              -0.00023296485153
                4s
                   +0 :               0.00005276156524
                3p
                   -1 :              -0.00000576713021
                   +0 :               0.00002676303836
                   +1 :               0.00006377629256
                4p
                   -1 :              -0.00001118227986
                   +0 :              -0.00002215199934
                   +1 :              -0.00000603428592
                3d
                   -2 :               0.00000534195631
                   -1 :               0.00000231087161
                   +0 :              -0.00001790814328
                   +1 :               0.00002826509993
                   +2 :              -0.00002035055207
             11 vec=    -4.977489    -14.852098      5.671791   |vec|=   16.659215
                2s
                   +0 :              -0.00004485706975
                2p
                   -1 :              -0.00000427461975
                   +0 :               0.00000022942490
                   +1 :              -0.00002488266338
                3s
                   +0 :               0.00023937416108
                4s
                   +0 :              -0.00003448966768
                3p
                   -1 :              -0.00005335440405
                   +0 :               0.00008466312382
                   +1 :               0.00019553847508
                4p
                   -1 :              -0.00000510424470
                   +0 :              -0.00001289932063
                   +1 :              -0.00005207640770
                3d
                   -2 :              -0.00004716717639
                   -1 :              -0.00003590316243
                   +0 :               0.00000986684350
                   +1 :               0.00005732903911
                   +2 :               0.00000815028214
             12 vec=    10.582837     12.099176      5.671791   |vec|=   17.045694
                2s
                   +0 :               0.00002915042714
                2p
                   -1 :               0.00002620004312
                   +0 :               0.00000787093897
                   +1 :               0.00003839340436
                3s
                   +0 :               0.00000737824774
                4s
                   +0 :               0.00005448811550
                3p
                   -1 :              -0.00013509619654
                   +0 :               0.00006253637490
                   +1 :              -0.00009243057942
                4p
                   -1 :               0.00004735607613
                   +0 :              -0.00000556722641
                   +1 :               0.00004278130181
                3d
                   -2 :              -0.00004748719685
                   -1 :              -0.00001058749460
                   +0 :               0.00002852585816
                   +1 :               0.00000162374709
                   +2 :               0.00001757977233
             13 vec=   -12.757651    -10.360219      5.671791   |vec|=   17.385656
                2s
                   +0 :               0.00000091128990
                2p
                   -1 :               0.00000065148490
                   +0 :               0.00000235665130
                   +1 :               0.00003368247766
                3s
                   +0 :               0.00008447383149
                4s
                   +0 :              -0.00006504118070
                3p
                   -1 :              -0.00003336656521
                   +0 :               0.00004517908868
                   +1 :              -0.00023246041903
                4p
                   -1 :               0.00003276147048
                   +0 :              -0.00003007049120
                   +1 :               0.00008142622133
                3d
                   -2 :               0.00002054276074
                   -1 :              -0.00000718497313
                   +0 :               0.00002893869194
                   +1 :              -0.00002146293181
                   +2 :               0.00005285909186
             14 vec=     2.802674     16.591055      5.671791   |vec|=   17.756331
                2s
                   +0 :               0.00001181438789
                2p
                   -1 :               0.00002371184340
                   +0 :              -0.00000086332281
                   +1 :              -0.00001096229209
                3s
                   +0 :              -0.00004945553991
                4s
                   +0 :               0.00003516344514
                3p
                   -1 :              -0.00012407536583
                   +0 :              -0.00001781573935
                   +1 :               0.00006152508966
                4p
                   -1 :               0.00004229404311
                   +0 :               0.00001320115963
                   +1 :              -0.00002453294155
                3d
                   -2 :              -0.00000008978853
                   -1 :              -0.00001831902292
                   +0 :               0.00000311416916
                   +1 :              -0.00000421512640
                   +2 :               0.00001598641486
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Cr(  3)  npairs=  13
              1 vec=     2.802674     -1.376461     -6.601980   |vec|=    7.303134
                3s
                   +0 :              -0.00120998659167
                3p
                   -1 :               0.00079282738384
                   +0 :               0.00285667634615
                   +1 :              -0.00200034092024
                4s
                   +0 :               0.00120699361960
                5s
                   +0 :              -0.00068071513559
                3d
                   -2 :               0.00312507843650
                   -1 :              -0.00267802929343
                   +0 :              -0.00448060984872
                   +1 :               0.00130379353522
                   +2 :              -0.00148558127806
                4d
                   -2 :               0.00143521241922
                   -1 :               0.00014173734172
                   +0 :               0.00010002630186
                   +1 :               0.00010666416239
                   +2 :              -0.00006465930286
                4p
                   -1 :               0.00028404781981
                   +0 :               0.00254513203688
                   +1 :               0.00017010366493
              2 vec=    -4.977489      3.115418     -6.601980   |vec|=    8.835573
                3s
                   +0 :              -0.00074581824579
                3p
                   -1 :               0.00057235675494
                   +0 :              -0.00055799449596
                   +1 :              -0.00067231468663
                4s
                   +0 :               0.00920528352247
                5s
                   +0 :               0.00005624875289
                3d
                   -2 :              -0.00273959274451
                   -1 :              -0.00201425519001
                   +0 :               0.00068474161357
                   +1 :               0.00474205881156
                   +2 :               0.00180248326979
                4d
                   -2 :              -0.00105505367384
                   -1 :              -0.00071933475723
                   +0 :               0.00014663403149
                   +1 :               0.00175807520901
                   +2 :               0.00084947613886
                4p
                   -1 :               0.00107731071941
                   +0 :              -0.00358920501953
                   +1 :              -0.00327794847455
              3 vec=    -4.977489     -5.868340     -6.601980   |vec|=   10.138982
                3s
                   +0 :               0.00114148193096
                3p
                   -1 :              -0.00069746984786
                   +0 :              -0.00066367518345
                   +1 :               0.00069847612832
                4s
                   +0 :              -0.00022419758632
                5s
                   +0 :              -0.00056770523079
                3d
                   -2 :              -0.00097564559852
                   -1 :               0.00045632298058
                   +0 :               0.00083258536338
                   +1 :              -0.00109438363119
                   +2 :              -0.00042297509496
                4d
                   -2 :               0.00138352574635
                   -1 :               0.00011079857242
                   +0 :               0.00006787852443
                   +1 :               0.00046629256874
                   +2 :              -0.00005968890274
                4p
                   -1 :               0.00071196308456
                   +0 :               0.00096467719997
                   +1 :              -0.00166534677858
              4 vec=     2.802674      7.607297     -6.601980   |vec|=   10.455242
                3s
                   +0 :              -0.00044783437955
                3p
                   -1 :               0.00006435012427
                   +0 :               0.00013375443974
                   +1 :               0.00013216165837
                4s
                   +0 :               0.00166739277747
                5s
                   +0 :              -0.00028638592258
                3d
                   -2 :               0.00011088719616
                   -1 :               0.00044744293750
                   +0 :               0.00024612907332
                   +1 :              -0.00028570399222
                   +2 :               0.00012319620266
                4d
                   -2 :               0.00027291041936
                   -1 :              -0.00032238597579
                   +0 :               0.00010058660835
                   +1 :               0.00001094608984
                   +2 :              -0.00015869201079
                4p
                   -1 :               0.00039368179025
                   +0 :              -0.00020979014503
                   +1 :               0.00004230213302
              5 vec=     2.802674    -10.360219     -6.601980   |vec|=   12.600606
                3s
                   +0 :              -0.00043510583295
                3p
                   -1 :               0.00024850728912
                   +0 :               0.00013820229957
                   +1 :              -0.00007579760803
                4s
                   +0 :               0.00064397710140
                5s
                   +0 :               0.00002747014830
                3d
                   -2 :               0.00018167242781
                   -1 :               0.00000630014415
                   +0 :               0.00036751935459
                   +1 :               0.00024935171791
                   +2 :               0.00025951810450
                4d
                   -2 :               0.00010914099757
                   -1 :               0.00012164926497
                   +0 :               0.00013979152069
                   +1 :               0.00005395758773
                   +2 :               0.00001896974920
                4p
                   -1 :              -0.00033025024394
                   +0 :              -0.00043579296559
                   +1 :              -0.00002145829345
              6 vec=    10.582837      3.115418     -6.601980   |vec|=   12.856453
                3s
                   +0 :               0.00044911317172
                3p
                   -1 :              -0.00002938466955
                   +0 :              -0.00021518109724
                   +1 :               0.00019156842093
                4s
                   +0 :              -0.00092749848966
                5s
                   +0 :               0.00008294580537
                3d
                   -2 :              -0.00000666025512
                   -1 :              -0.00025844348106
                   +0 :               0.00028405729166
                   +1 :              -0.00015153267178
                   +2 :              -0.00014647780791
                4d
                   -2 :              -0.00003287623001
                   -1 :               0.00016257639737
                   +0 :              -0.00003921204295
                   +1 :               0.00030779921831
                   +2 :              -0.00013247770964
                4p
                   -1 :               0.00007770991014
                   +0 :               0.00036833099097
                   +1 :              -0.00042675912861
              7 vec=    10.582837     -5.868340     -6.601980   |vec|=   13.784774
                3s
                   +0 :               0.00017470359221
                3p
                   -1 :               0.00004525711833
                   +0 :              -0.00008764267451
                   +1 :               0.00004308956518
                4s
                   +0 :              -0.00019908206793
                5s
                   +0 :               0.00002248980280
                3d
                   -2 :              -0.00019706079934
                   -1 :              -0.00012549590048
                   +0 :               0.00005082389345
                   +1 :               0.00028642989827
                   +2 :              -0.00009085920614
                4d
                   -2 :              -0.00007032147342
                   -1 :              -0.00006729687728
                   +0 :               0.00006787154033
                   +1 :               0.00007891100461
                   +2 :               0.00009743797161
                4p
                   -1 :              -0.00013037881962
                   +0 :               0.00022024540760
                   +1 :               0.00001037340413
              8 vec=   -12.757651     -1.376461     -6.601980   |vec|=   14.430470
                3s
                   +0 :               0.00014907034120
                3p
                   -1 :              -0.00000035153508
                   +0 :               0.00005928881437
                   +1 :              -0.00007222327420
                4s
                   +0 :              -0.00027187993320
                5s
                   +0 :               0.00004647932056
                3d
                   -2 :               0.00004024938124
                   -1 :              -0.00006104943714
                   +0 :               0.00002567954989
                   +1 :              -0.00003317420060
                   +2 :              -0.00004552228622
                4d
                   -2 :               0.00005466336660
                   -1 :              -0.00000214629780
                   +0 :              -0.00003843939681
                   +1 :               0.00001493022785
                   +2 :               0.00003068656739
                4p
                   -1 :              -0.00005427640248
                   +0 :              -0.00008270502075
                   +1 :               0.00007821884830
              9 vec=    -4.977489     12.099176     -6.601980   |vec|=   14.654405
                3s
                   +0 :               0.00010292365836
                3p
                   -1 :               0.00004179095805
                   +0 :              -0.00003188655307
                   +1 :               0.00003855711549
                4s
                   +0 :              -0.00012830483451
                5s
                   +0 :              -0.00002173806563
                3d
                   -2 :               0.00013947285287
                   -1 :               0.00003642747664
                   +0 :               0.00001656719114
                   +1 :              -0.00001521297986
                   +2 :               0.00001085858284
                4d
                   -2 :               0.00000083988014
                   -1 :               0.00000841331532
                   +0 :               0.00001851192911
                   +1 :              -0.00001612088374
                   +2 :               0.00000095852128
                4p
                   -1 :              -0.00009211710057
                   +0 :               0.00003869275997
                   +1 :              -0.00003226377042
             10 vec=   -12.757651      7.607297     -6.601980   |vec|=   16.254684
                3s
                   +0 :              -0.00005513703512
                3p
                   -1 :               0.00002583885951
                   +0 :               0.00004273565080
                   +1 :               0.00005928769008
                4s
                   +0 :              -0.00005201037966
                5s
                   +0 :               0.00003426318310
                3d
                   -2 :              -0.00001569361409
                   -1 :              -0.00000483384279
                   +0 :               0.00004471324811
                   +1 :               0.00000270088677
                   +2 :              -0.00003593291003
                4d
                   -2 :               0.00005336905091
                   -1 :              -0.00003897059039
                   +0 :               0.00002920510026
                   +1 :               0.00005888196119
                   +2 :               0.00002262674095
                4p
                   -1 :              -0.00003852941923
                   +0 :              -0.00016904707103
                   +1 :              -0.00000205570936
             11 vec=    -4.977489    -14.852098     -6.601980   |vec|=   16.998422
                3s
                   +0 :              -0.00004487445526
                3p
                   -1 :               0.00002376389998
                   +0 :               0.00001120859145
                   +1 :              -0.00001837176586
                4s
                   +0 :               0.00006238197569
                5s
                   +0 :               0.00002008825141
                3d
                   -2 :               0.00004665335337
                   -1 :               0.00005879842512
                   +0 :               0.00006429122787
                   +1 :              -0.00005931366089
                   +2 :               0.00002658876005
                4d
                   -2 :              -0.00001655765028
                   -1 :              -0.00001655934168
                   +0 :              -0.00001373071977
                   +1 :              -0.00001693126430
                   +2 :              -0.00000813225741
                4p
                   -1 :              -0.00003548333113
                   +0 :              -0.00000262964546
                   +1 :               0.00001024667657
             12 vec=    10.582837     12.099176     -6.601980   |vec|=   17.377359
                3s
                   +0 :              -0.00002474867645
                3p
                   -1 :               0.00002501698807
                   +0 :               0.00004618416569
                   +1 :              -0.00000968678701
                4s
                   +0 :               0.00007792735903
                5s
                   +0 :               0.00001122679362
                3d
                   -2 :               0.00001503933954
                   -1 :               0.00011088467778
                   +0 :               0.00004687126612
                   +1 :              -0.00005655422265
                   +2 :              -0.00007150582712
                4d
                   -2 :              -0.00002528101519
                   -1 :              -0.00004884757037
                   +0 :               0.00001591686763
                   +1 :              -0.00002497146626
                   +2 :               0.00004225810569
                4p
                   -1 :              -0.00003442604483
                   +0 :              -0.00009748354960
                   +1 :               0.00002401982770
             13 vec=   -12.757651    -10.360219     -6.601980   |vec|=   17.710956
                3s
                   +0 :               0.00004193470868
                3p
                   -1 :              -0.00005355782987
                   +0 :              -0.00004464882011
                   +1 :              -0.00001082939914
                4s
                   +0 :               0.00000308562541
                5s
                   +0 :              -0.00002609173828
                3d
                   -2 :               0.00002291051635
                   -1 :              -0.00000350700469
                   +0 :              -0.00001112933084
                   +1 :              -0.00004096492773
                   +2 :               0.00002893243522
                4d
                   -2 :              -0.00001511899312
                   -1 :              -0.00000928634586
                   +0 :               0.00003392468097
                   +1 :              -0.00003532591259
                   +2 :               0.00003794720953
                4p
                   -1 :               0.00009914541518
                   +0 :               0.00009022386937
                   +1 :              -0.00002002909922
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al(  4)  npairs=  15
              1 vec=     2.802674     -1.376461     10.693237   |vec|=   11.139791
                2s
                   +0 :               0.00083016672998
                2p
                   -1 :              -0.00013446107924
                   +0 :               0.00043726635392
                   +1 :               0.00041296599187
                3s
                   +0 :              -0.00089724825695
                4s
                   +0 :               0.00031907129349
                3p
                   -1 :               0.00162206484327
                   +0 :              -0.00074460807740
                   +1 :              -0.00235905315373
                4p
                   -1 :              -0.00039462191284
                   +0 :               0.00018054359429
                   +1 :               0.00039672832740
                3d
                   -2 :               0.00015908925811
                   -1 :               0.00020438831830
                   +0 :               0.00015780973811
                   +1 :              -0.00029413568229
                   +2 :              -0.00006082745118
              2 vec=    -4.977489      3.115418     10.693237   |vec|=   12.199448
                2s
                   +0 :               0.00005525040175
                2p
                   -1 :               0.00009799301404
                   +0 :               0.00008503130912
                   +1 :              -0.00000290539129
                3s
                   +0 :               0.00054200828217
                4s
                   +0 :              -0.00013350419238
                3p
                   -1 :              -0.00071311218589
                   +0 :              -0.00038541457399
                   +1 :              -0.00048139738996
                4p
                   -1 :               0.00002918138012
                   +0 :              -0.00000712642903
                   +1 :              -0.00002966205729
                3d
                   -2 :               0.00053321693431
                   -1 :              -0.00033124349665
                   +0 :              -0.00041241813188
                   +1 :               0.00008252191028
                   +2 :              -0.00000501909140
              3 vec=    -4.977489     -5.868340     10.693237   |vec|=   13.174146
                2s
                   +0 :              -0.00028697086891
                2p
                   -1 :               0.00003599285063
                   +0 :              -0.00002518200510
                   +1 :              -0.00014867216712
                3s
                   +0 :               0.00243130068610
                4s
                   +0 :              -0.00033331968198
                3p
                   -1 :              -0.00097625277598
                   +0 :               0.00120204663238
                   +1 :              -0.00026013591959
                4p
                   -1 :               0.00015331100285
                   +0 :              -0.00008944595663
                   +1 :              -0.00015075707377
                3d
                   -2 :               0.00018165294682
                   -1 :              -0.00026467242935
                   +0 :               0.00018178141554
                   +1 :              -0.00018759388840
                   +2 :               0.00006425358982
              4 vec=     2.802674      7.607297     10.693237   |vec|=   13.419063
                2s
                   +0 :              -0.00023415701939
                2p
                   -1 :              -0.00002043061768
                   +0 :               0.00000663866760
                   +1 :               0.00000114292379
                3s
                   +0 :               0.00264150222590
                4s
                   +0 :              -0.00046640381361
                3p
                   -1 :               0.00160322353798
                   +0 :               0.00113777868194
                   +1 :               0.00008213347682
                4p
                   -1 :              -0.00012942302884
                   +0 :              -0.00009566956098
                   +1 :              -0.00010067334552
                3d
                   -2 :               0.00003412593230
                   -1 :               0.00050448180568
                   +0 :               0.00024551850821
                   +1 :              -0.00006887607195
                   +2 :              -0.00040165659337
              5 vec=     2.802674     -1.376461    -13.854306   |vec|=   14.201810
                2s
                   +0 :               0.00002377801240
                2p
                   -1 :               0.00008291593836
                   +0 :              -0.00007374723973
                   +1 :              -0.00002426680836
                3s
                   +0 :              -0.00030263019294
                4s
                   +0 :               0.00014850110219
                3p
                   -1 :              -0.00029339060195
                   +0 :               0.00064405371847
                   +1 :               0.00005947223879
                4p
                   -1 :               0.00004190543609
                   +0 :              -0.00023312208572
                   +1 :               0.00000616274737
                3d
                   -2 :              -0.00005246575468
                   -1 :               0.00007873745869
                   +0 :              -0.00015832337318
                   +1 :               0.00004019912428
                   +2 :              -0.00006895418561
              6 vec=    -4.977489      3.115418    -13.854306   |vec|=   15.047359
                2s
                   +0 :               0.00007804679190
                2p
                   -1 :               0.00004462077350
                   +0 :              -0.00002276518384
                   +1 :              -0.00008439372032
                3s
                   +0 :              -0.00018918463542
                4s
                   +0 :               0.00002266451523
                3p
                   -1 :              -0.00014273843739
                   +0 :               0.00002973956946
                   +1 :               0.00024808346446
                4p
                   -1 :              -0.00000616533150
                   +0 :              -0.00002486619451
                   +1 :              -0.00002254309698
                3d
                   -2 :               0.00008451736397
                   -1 :               0.00001003537307
                   +0 :               0.00004245389045
                   +1 :               0.00001656101456
                   +2 :              -0.00005075886667
              7 vec=     2.802674    -10.360219     10.693237   |vec|=   15.150394
                2s
                   +0 :              -0.00002125661665
                2p
                   -1 :              -0.00000178052555
                   +0 :               0.00002113523259
                   +1 :               0.00004055969532
                3s
                   +0 :               0.00005534432292
                4s
                   +0 :               0.00001323451932
                3p
                   -1 :               0.00009857265411
                   +0 :              -0.00019373960068
                   +1 :              -0.00017177646313
                4p
                   -1 :              -0.00004652059450
                   +0 :               0.00004681342870
                   +1 :               0.00002137632911
                3d
                   -2 :               0.00001329064320
                   -1 :               0.00004815756285
                   +0 :               0.00004268933166
                   +1 :              -0.00000921508759
                   +2 :               0.00003728135151
              8 vec=    10.582837      3.115418     10.693237   |vec|=   15.363840
                2s
                   +0 :              -0.00009678238591
                2p
                   -1 :               0.00002175457180
                   +0 :               0.00000340254937
                   +1 :              -0.00002921659150
                3s
                   +0 :               0.00026335249653
                4s
                   +0 :               0.00001870255622
                3p
                   -1 :              -0.00016003905248
                   +0 :              -0.00009797368929
                   +1 :               0.00011772369131
                4p
                   -1 :               0.00005108298632
                   +0 :               0.00006962098245
                   +1 :               0.00001119749464
                3d
                   -2 :              -0.00005600780349
                   -1 :              -0.00001272025660
                   +0 :              -0.00000727243036
                   +1 :              -0.00000247023200
                   +2 :              -0.00000984946241
              9 vec=    -4.977489     -5.868340    -13.854306   |vec|=   15.847858
                2s
                   +0 :               0.00009364401324
                2p
                   -1 :              -0.00000017389252
                   +0 :              -0.00001217973838
                   +1 :              -0.00004775274147
                3s
                   +0 :              -0.00066454978881
                4s
                   +0 :               0.00013079586972
                3p
                   -1 :               0.00027884839884
                   +0 :               0.00013414154136
                   +1 :               0.00024290639146
                4p
                   -1 :              -0.00002482254773
                   +0 :              -0.00008441269043
                   +1 :              -0.00003918328857
                3d
                   -2 :              -0.00000091509132
                   -1 :              -0.00000662318264
                   +0 :               0.00003953691664
                   +1 :              -0.00003889450605
                   +2 :               0.00009796698879
             10 vec=     2.802674      7.607297    -13.854306   |vec|=   16.052032
                2s
                   +0 :              -0.00002429261714
                2p
                   -1 :               0.00002002218747
                   +0 :               0.00000508717810
                   +1 :              -0.00003553424454
                3s
                   +0 :              -0.00038697117062
                4s
                   +0 :               0.00007690188134
                3p
                   -1 :              -0.00021525006769
                   +0 :               0.00008950850057
                   +1 :              -0.00008173089005
                4p
                   -1 :               0.00003371389042
                   +0 :              -0.00008398105873
                   +1 :              -0.00006312243901
                3d
                   -2 :              -0.00006323938903
                   -1 :               0.00000321848499
                   +0 :               0.00003180194841
                   +1 :              -0.00005723918456
                   +2 :              -0.00000705966575
             11 vec=    10.582837     -5.868340     10.693237   |vec|=   16.148658
                2s
                   +0 :               0.00021681058642
                2p
                   -1 :              -0.00003626928911
                   +0 :               0.00007893508436
                   +1 :               0.00007811052855
                3s
                   +0 :              -0.00071697845724
                4s
                   +0 :               0.00032329291602
                3p
                   -1 :               0.00017749930151
                   +0 :              -0.00035408688972
                   +1 :              -0.00034403718156
                4p
                   -1 :              -0.00006110564181
                   +0 :               0.00014178402695
                   +1 :               0.00008610706025
                3d
                   -2 :               0.00002087285971
                   -1 :               0.00002248070668
                   +0 :              -0.00002107990844
                   +1 :              -0.00005620612049
                   +2 :              -0.00003450409562
             12 vec=   -12.757651     -1.376461     10.693237   |vec|=   16.703222
                2s
                   +0 :               0.00006906705491
                2p
                   -1 :               0.00000805726209
                   +0 :               0.00004338038331
                   +1 :              -0.00003159806988
                3s
                   +0 :              -0.00034576949473
                4s
                   +0 :               0.00010494912614
                3p
                   -1 :               0.00001108155719
                   +0 :              -0.00029787064414
                   +1 :               0.00027360957483
                4p
                   -1 :              -0.00001427789658
                   +0 :               0.00006644137673
                   +1 :              -0.00005370808609
                3d
                   -2 :               0.00004175203754
                   -1 :               0.00000315371185
                   +0 :              -0.00004761357062
                   +1 :               0.00008530055469
                   +2 :              -0.00004628884752
             13 vec=    -4.977489     12.099176     10.693237   |vec|=   16.897064
                2s
                   +0 :              -0.00003168596984
                2p
                   -1 :               0.00000495992138
                   +0 :              -0.00000800735272
                   +1 :              -0.00000558380723
                3s
                   +0 :               0.00009222938771
                4s
                   +0 :              -0.00000083406001
                3p
                   -1 :              -0.00008647913418
                   +0 :               0.00003423255691
                   +1 :               0.00006900069351
                4p
                   -1 :               0.00003723643527
                   +0 :               0.00000300533084
                   +1 :              -0.00002568529762
                3d
                   -2 :               0.00002194522396
                   -1 :               0.00000100799090
                   +0 :               0.00002072093878
                   +1 :               0.00002374255236
                   +2 :               0.00002186100509
             14 vec=     2.802674    -10.360219    -13.854306   |vec|=   17.525151
                2s
                   +0 :              -0.00007479634744
                2p
                   -1 :               0.00005562946724
                   +0 :               0.00002437717293
                   +1 :               0.00001667189957
                3s
                   +0 :               0.00001783285824
                4s
                   +0 :              -0.00004343995099
                3p
                   -1 :              -0.00005905145724
                   +0 :              -0.00006053820039
                   +1 :              -0.00006271378674
                4p
                   -1 :               0.00003819455565
                   +0 :               0.00001209861893
                   +1 :               0.00001379892045
                3d
                   -2 :              -0.00001387423171
                   -1 :               0.00001585707520
                   +0 :               0.00002081421835
                   +1 :               0.00000541326950
                   +2 :               0.00002538284734
             15 vec=    10.582837      3.115418    -13.854306   |vec|=   17.709998
                2s
                   +0 :              -0.00005871674612
                2p
                   -1 :               0.00000120991782
                   +0 :               0.00001206268828
                   +1 :              -0.00003500509140
                3s
                   +0 :               0.00015249674830
                4s
                   +0 :              -0.00001849505738
                3p
                   -1 :              -0.00003080391704
                   +0 :              -0.00004637123614
                   +1 :               0.00016594471891
                4p
                   -1 :               0.00002129006312
                   +0 :               0.00000168732595
                   +1 :              -0.00003114593504
                3d
                   -2 :               0.00002818491955
                   -1 :               0.00000083714650
                   +0 :              -0.00001090100573
                   +1 :              -0.00002221262716
                   +2 :               0.00005245529163
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al(  5)  npairs=  13
              1 vec=     0.209286      3.115418      6.601898   |vec|=    7.303060
                2s
                   +0 :              -0.00164699847247
                2p
                   -1 :              -0.00106620997932
                   +0 :              -0.00129154060961
                   +1 :              -0.00012615773630
                3s
                   +0 :               0.00679576182661
                4s
                   +0 :              -0.00246537407102
                3p
                   -1 :               0.00123179012625
                   +0 :              -0.00030357688402
                   +1 :               0.00050784380903
                4p
                   -1 :              -0.00028203129117
                   +0 :              -0.00174569899721
                   +1 :               0.00007111455039
                3d
                   -2 :               0.00060398742675
                   -1 :              -0.00256669417575
                   +0 :              -0.00265927104006
                   +1 :              -0.00007195433804
                   +2 :               0.00337445382625
              2 vec=     0.209286     -5.868340      6.601898   |vec|=    8.835512
                2s
                   +0 :              -0.00122135847413
                2p
                   -1 :              -0.00014834751676
                   +0 :               0.00009859119368
                   +1 :               0.00031410070816
                3s
                   +0 :               0.01661702538422
                4s
                   +0 :              -0.00034811504902
                3p
                   -1 :              -0.00986524334323
                   +0 :               0.00822984520179
                   +1 :              -0.00201399149550
                4p
                   -1 :              -0.00046596220323
                   +0 :               0.00053650986912
                   +1 :               0.00064695001922
                3d
                   -2 :               0.00036770252670
                   -1 :              -0.00431243066858
                   +0 :               0.00063255799029
                   +1 :              -0.00030636438832
                   +2 :              -0.00285200434423
              3 vec=    -7.570876     -1.376461      6.601898   |vec|=   10.138928
                2s
                   +0 :               0.00063539268444
                2p
                   -1 :               0.00074352482645
                   +0 :               0.00038840757767
                   +1 :               0.00022226865203
                3s
                   +0 :               0.00055687967042
                4s
                   +0 :              -0.00107362315937
                3p
                   -1 :              -0.00345146690687
                   +0 :              -0.00110832417367
                   +1 :              -0.00270889683656
                4p
                   -1 :               0.00091133131866
                   +0 :              -0.00024205816531
                   +1 :               0.00116258307267
                3d
                   -2 :               0.00078953692140
                   -1 :              -0.00037379111992
                   +0 :               0.00038460541449
                   +1 :              -0.00007984200769
                   +2 :               0.00108750172644
              4 vec=     7.989449     -1.376461      6.601898   |vec|=   10.455190
                2s
                   +0 :              -0.00048064443977
                2p
                   -1 :               0.00010631224243
                   +0 :              -0.00001183573822
                   +1 :              -0.00016945256768
                3s
                   +0 :               0.00243757445071
                4s
                   +0 :              -0.00080810513154
                3p
                   -1 :              -0.00041948340863
                   +0 :              -0.00020621508845
                   +1 :               0.00184447399440
                4p
                   -1 :               0.00016276960323
                   +0 :               0.00007105519523
                   +1 :              -0.00062700532848
                3d
                   -2 :              -0.00002034592679
                   -1 :              -0.00008608622491
                   +0 :               0.00025637580995
                   +1 :               0.00008391235553
                   +2 :               0.00042491246053
              5 vec=    -7.570876      7.607297      6.601898   |vec|=   12.600563
                2s
                   +0 :              -0.00027085662954
                2p
                   -1 :              -0.00001728938808
                   +0 :              -0.00010015176999
                   +1 :               0.00006797556059
                3s
                   +0 :               0.00064693352217
                4s
                   +0 :              -0.00001309817206
                3p
                   -1 :              -0.00041140305738
                   +0 :               0.00068852993528
                   +1 :              -0.00019123486069
                4p
                   -1 :               0.00021510331848
                   +0 :              -0.00005717820503
                   +1 :              -0.00005429344657
                3d
                   -2 :               0.00015224169479
                   -1 :               0.00002958501472
                   +0 :               0.00029645580186
                   +1 :              -0.00020648127835
                   +2 :               0.00012479468605
              6 vec=     7.989449      7.607297      6.601898   |vec|=   12.856411
                2s
                   +0 :               0.00043222115072
                2p
                   -1 :               0.00015772602034
                   +0 :               0.00013230745171
                   +1 :               0.00011711632332
                3s
                   +0 :              -0.00142702816639
                4s
                   +0 :               0.00046359337943
                3p
                   -1 :              -0.00095111242490
                   +0 :              -0.00058385088190
                   +1 :              -0.00059778287898
                4p
                   -1 :               0.00015233145280
                   +0 :               0.00017838194252
                   +1 :               0.00012054768647
                3d
                   -2 :              -0.00011714546929
                   -1 :              -0.00009958689547
                   +0 :               0.00005235731639
                   +1 :              -0.00014773458235
                   +2 :               0.00001787000536
              7 vec=     0.209286     12.099176      6.601898   |vec|=   13.784734
                2s
                   +0 :               0.00014848372423
                2p
                   -1 :              -0.00000191644644
                   +0 :               0.00008926543244
                   +1 :              -0.00001013324831
                3s
                   +0 :              -0.00034705465982
                4s
                   +0 :               0.00018444376339
                3p
                   -1 :               0.00012653409408
                   +0 :              -0.00053373570680
                   +1 :               0.00010874693556
                4p
                   -1 :               0.00002185208525
                   +0 :               0.00010346474425
                   +1 :              -0.00007630207246
                3d
                   -2 :               0.00001054463587
                   -1 :              -0.00008295074531
                   +0 :               0.00002131177802
                   +1 :              -0.00002172716725
                   +2 :              -0.00008140995547
              8 vec=    -7.570876    -10.360219      6.601898   |vec|=   14.430432
                2s
                   +0 :               0.00008722737104
                2p
                   -1 :              -0.00001661625623
                   +0 :              -0.00003980693007
                   +1 :               0.00000229310128
                3s
                   +0 :              -0.00028995087323
                4s
                   +0 :               0.00012446803576
                3p
                   -1 :               0.00006779975269
                   +0 :               0.00009853334475
                   +1 :              -0.00012811673956
                4p
                   -1 :               0.00000798350516
                   +0 :               0.00003715855658
                   +1 :               0.00003367555723
                3d
                   -2 :               0.00009582483489
                   -1 :              -0.00002895447613
                   +0 :              -0.00006280385470
                   +1 :               0.00000782091697
                   +2 :               0.00006299683077
              9 vec=     7.989449    -10.360219      6.601898   |vec|=   14.654368
                2s
                   +0 :               0.00004229748491
                2p
                   -1 :              -0.00001212051318
                   +0 :               0.00000450737852
                   +1 :               0.00004110923193
                3s
                   +0 :              -0.00004995021045
                4s
                   +0 :              -0.00008137083653
                3p
                   -1 :               0.00017300340712
                   +0 :               0.00004904368863
                   +1 :              -0.00013061458531
                4p
                   -1 :              -0.00002804066708
                   +0 :              -0.00003356086142
                   +1 :              -0.00001263263648
                3d
                   -2 :               0.00002840781946
                   -1 :               0.00000523162710
                   +0 :               0.00000751930842
                   +1 :               0.00002034914679
                   +2 :              -0.00000945546179
             10 vec=     0.209286    -14.852098      6.601898   |vec|=   16.254651
                2s
                   +0 :              -0.00008933682873
                2p
                   -1 :               0.00001606148383
                   +0 :              -0.00004567309024
                   +1 :              -0.00001289839451
                3s
                   +0 :               0.00033002312396
                4s
                   +0 :              -0.00006839428465
                3p
                   -1 :              -0.00005135800867
                   +0 :               0.00022917740007
                   +1 :               0.00012556761842
                4p
                   -1 :              -0.00002067829287
                   +0 :              -0.00005254982321
                   +1 :              -0.00005032148249
                3d
                   -2 :              -0.00001933785298
                   -1 :              -0.00003962671060
                   +0 :               0.00004003492329
                   +1 :              -0.00000571314603
                   +2 :              -0.00001051870920
             11 vec=   -15.351039      3.115418      6.601898   |vec|=   16.998390
                2s
                   +0 :              -0.00000751688505
                2p
                   -1 :               0.00000139381123
                   +0 :               0.00002298550727
                   +1 :              -0.00000566268346
                3s
                   +0 :              -0.00010052182883
                4s
                   +0 :               0.00005937324753
                3p
                   -1 :              -0.00004980486436
                   +0 :              -0.00015137309177
                   +1 :               0.00007539181608
                4p
                   -1 :               0.00002782951086
                   +0 :               0.00003624889807
                   +1 :              -0.00003740666673
                3d
                   -2 :               0.00002056312686
                   -1 :              -0.00000786063022
                   +0 :              -0.00002110643145
                   +1 :               0.00003533103231
                   +2 :               0.00003145132838
             12 vec=    15.769612      3.115418      6.601898   |vec|=   17.377328
                2s
                   +0 :              -0.00001689306038
                2p
                   -1 :              -0.00001965221608
                   +0 :              -0.00003772236780
                   +1 :               0.00001603282111
                3s
                   +0 :               0.00010732380273
                4s
                   +0 :              -0.00001285688728
                3p
                   -1 :               0.00011489539113
                   +0 :               0.00019074441210
                   +1 :              -0.00007651291538
                4p
                   -1 :              -0.00002184475871
                   +0 :              -0.00003642495352
                   +1 :               0.00003497444178
                3d
                   -2 :               0.00001804036818
                   -1 :               0.00000806773673
                   +0 :               0.00003503392094
                   +1 :               0.00004302702664
                   +2 :              -0.00003046223178
             13 vec=   -15.351039     -5.868340      6.601898   |vec|=   17.710925
                2s
                   +0 :              -0.00001083752827
                2p
                   -1 :               0.00003230245140
                   +0 :               0.00002696521655
                   +1 :              -0.00000147479244
                3s
                   +0 :               0.00011131682526
                4s
                   +0 :              -0.00009141082673
                3p
                   -1 :              -0.00021209221346
                   +0 :              -0.00010797255090
                   +1 :              -0.00003117994176
                4p
                   -1 :               0.00007640282233
                   +0 :               0.00000874424219
                   +1 :               0.00002911611653
                3d
                   -2 :               0.00003039556099
                   -1 :               0.00002211580515
                   +0 :               0.00002095547259
                   +1 :               0.00002964586603
                   +2 :               0.00000678174505
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al(  6)  npairs=  15
              1 vec=     0.209286      3.115418    -10.693319   |vec|=   11.139869
                2s
                   +0 :              -0.00039881327333
                2p
                   -1 :              -0.00035345147184
                   +0 :               0.00024662677735
                   +1 :              -0.00002775610702
                3s
                   +0 :              -0.00064534088090
                4s
                   +0 :              -0.00008958664814
                3p
                   -1 :               0.00280592738717
                   +0 :               0.00012299278963
                   +1 :              -0.00040891590382
                4p
                   -1 :              -0.00046405899071
                   +0 :               0.00004690694346
                   +1 :               0.00019086749960
                3d
                   -2 :              -0.00011040997368
                   -1 :              -0.00042077937057
                   +0 :              -0.00024355442931
                   +1 :               0.00003280671674
                   +2 :              -0.00008819160697
              2 vec=     0.209286     -5.868340    -10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00011323608061
                2p
                   -1 :              -0.00005925236214
                   +0 :               0.00000072891914
                   +1 :              -0.00010172824146
                3s
                   +0 :              -0.00107180844229
                4s
                   +0 :               0.00027724427453
                3p
                   -1 :               0.00062421767461
                   +0 :               0.00016676684440
                   +1 :               0.00065756113402
                4p
                   -1 :              -0.00016669764827
                   +0 :              -0.00009989275954
                   +1 :              -0.00011906778869
                3d
                   -2 :              -0.00007632784576
                   -1 :               0.00008314149327
                   +0 :               0.00019681642970
                   +1 :              -0.00022636405871
                   +2 :              -0.00029593854466
              3 vec=    -7.570876     -1.376461    -10.693319   |vec|=   13.174213
                2s
                   +0 :               0.00022176711433
                2p
                   -1 :               0.00005490751427
                   +0 :               0.00000621783625
                   +1 :               0.00002957404409
                3s
                   +0 :              -0.00209168983165
                4s
                   +0 :               0.00012980123807
                3p
                   -1 :              -0.00023784043493
                   +0 :               0.00073967797302
                   +1 :               0.00084765888305
                4p
                   -1 :               0.00013566744261
                   +0 :               0.00002481396849
                   +1 :              -0.00004084277120
                3d
                   -2 :              -0.00008951944017
                   -1 :              -0.00000337629192
                   +0 :              -0.00010595984843
                   +1 :              -0.00026628110302
                   +2 :              -0.00012137817351
              4 vec=     7.989449     -1.376461    -10.693319   |vec|=   13.419128
                2s
                   +0 :               0.00014072335043
                2p
                   -1 :              -0.00003868318559
                   +0 :              -0.00003025945536
                   +1 :               0.00008012458228
                3s
                   +0 :              -0.00110357118137
                4s
                   +0 :               0.00054125407261
                3p
                   -1 :               0.00033573571369
                   +0 :               0.00060493473809
                   +1 :              -0.00100926180112
                4p
                   -1 :               0.00000784228144
                   +0 :              -0.00017023498856
                   +1 :               0.00027756690355
                3d
                   -2 :               0.00014737004029
                   -1 :              -0.00014849087843
                   +0 :              -0.00016459357239
                   +1 :               0.00030076929287
                   +2 :              -0.00020387131465
              5 vec=     0.209286      3.115418     13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00001036715600
                2p
                   -1 :               0.00008012301467
                   +0 :              -0.00001046443338
                   +1 :              -0.00006697210649
                3s
                   +0 :               0.00002158854691
                4s
                   +0 :              -0.00005820031293
                3p
                   -1 :              -0.00041659514379
                   +0 :               0.00000733516118
                   +1 :               0.00026013645425
                4p
                   -1 :               0.00006831997187
                   +0 :              -0.00000679587654
                   +1 :              -0.00004798425012
                3d
                   -2 :               0.00008958871630
                   -1 :              -0.00005781658887
                   +0 :              -0.00002151450266
                   +1 :               0.00008710905129
                   +2 :              -0.00000364536721
              6 vec=     0.209286     -5.868340     13.854224   |vec|=   15.047283
                2s
                   +0 :              -0.00015561575991
                2p
                   -1 :               0.00013478175000
                   +0 :              -0.00002151434027
                   +1 :              -0.00000400497413
                3s
                   +0 :               0.00038563872618
                4s
                   +0 :              -0.00006981572044
                3p
                   -1 :              -0.00041817523423
                   +0 :               0.00003761130727
                   +1 :              -0.00004609013614
                4p
                   -1 :               0.00003860324129
                   +0 :              -0.00001495161772
                   +1 :               0.00003745114924
                3d
                   -2 :               0.00001321530858
                   -1 :              -0.00001654005249
                   +0 :              -0.00007248052247
                   +1 :               0.00002397664275
                   +2 :              -0.00012945744000
              7 vec=    -7.570876      7.607297    -10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00015366024069
                2p
                   -1 :              -0.00005285553953
                   +0 :               0.00008206612043
                   +1 :              -0.00007560912884
                3s
                   +0 :               0.00111017180349
                4s
                   +0 :              -0.00006222925691
                3p
                   -1 :               0.00044770007607
                   +0 :              -0.00076601788674
                   +1 :               0.00068067290134
                4p
                   -1 :              -0.00000851075550
                   +0 :               0.00006313673210
                   +1 :              -0.00005728807391
                3d
                   -2 :               0.00022913572324
                   -1 :              -0.00018516611029
                   +0 :               0.00010444048371
                   +1 :              -0.00019506895925
                   +2 :               0.00004368489778
              8 vec=     7.989449      7.607297    -10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00004251418465
                2p
                   -1 :               0.00004199948107
                   +0 :               0.00005674893318
                   +1 :              -0.00005286963258
                3s
                   +0 :               0.00006179677150
                4s
                   +0 :              -0.00014673230734
                3p
                   -1 :              -0.00031399515356
                   +0 :              -0.00030695991618
                   +1 :               0.00031366090408
                4p
                   -1 :               0.00004231214621
                   +0 :               0.00012799866136
                   +1 :              -0.00010422470651
                3d
                   -2 :               0.00003750903994
                   -1 :               0.00005341281293
                   +0 :               0.00003188415955
                   +1 :              -0.00007730140977
                   +2 :               0.00002876634244
              9 vec=    -7.570876     -1.376461     13.854224   |vec|=   15.847786
                2s
                   +0 :              -0.00007985629639
                2p
                   -1 :               0.00002696470837
                   +0 :              -0.00000522952650
                   +1 :               0.00000926218816
                3s
                   +0 :               0.00044466431823
                4s
                   +0 :              -0.00012773383296
                3p
                   -1 :              -0.00002356707358
                   +0 :               0.00014756433200
                   +1 :              -0.00022886740146
                4p
                   -1 :               0.00002094511838
                   +0 :              -0.00007143861843
                   +1 :               0.00002985718262
                3d
                   -2 :              -0.00006949484326
                   -1 :              -0.00001399231557
                   +0 :               0.00000151125733
                   +1 :              -0.00005447010187
                   +2 :               0.00000888215040
             10 vec=     7.989449     -1.376461     13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00005280706076
                2p
                   -1 :               0.00003556878102
                   +0 :               0.00002096447330
                   +1 :               0.00001199641805
                3s
                   +0 :               0.00018680029576
                4s
                   +0 :              -0.00003989868165
                3p
                   -1 :              -0.00004660808412
                   +0 :               0.00007558486095
                   +1 :               0.00018951098083
                4p
                   -1 :               0.00006752347711
                   +0 :              -0.00005358915019
                   +1 :               0.00001062180395
                3d
                   -2 :               0.00004787699343
                   -1 :              -0.00005283066813
                   +0 :              -0.00000821750208
                   +1 :              -0.00000940107783
                   +2 :               0.00009413897787
             11 vec=     0.209286     12.099176    -10.693319   |vec|=   16.148712
                2s
                   +0 :              -0.00008990764089
                2p
                   -1 :              -0.00005620161825
                   +0 :               0.00002494376075
                   +1 :              -0.00002251245536
                3s
                   +0 :               0.00020258782437
                4s
                   +0 :              -0.00015463869556
                3p
                   -1 :               0.00020705547357
                   +0 :              -0.00006658538584
                   +1 :               0.00008060854771
                4p
                   -1 :              -0.00006559772949
                   +0 :               0.00006360877105
                   +1 :              -0.00001325024756
                3d
                   -2 :               0.00003370328926
                   -1 :              -0.00000493077041
                   +0 :              -0.00002266667036
                   +1 :              -0.00000801857079
                   +2 :              -0.00002999843968
             12 vec=    -7.570876    -10.360219    -10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00011646463415
                2p
                   -1 :              -0.00006419579328
                   +0 :              -0.00004539275341
                   +1 :               0.00000205042374
                3s
                   +0 :              -0.00053185159431
                4s
                   +0 :               0.00027146888850
                3p
                   -1 :               0.00036501569858
                   +0 :               0.00024907899015
                   +1 :              -0.00007188649225
                4p
                   -1 :              -0.00013875984357
                   +0 :              -0.00012094852584
                   +1 :               0.00000161328953
                3d
                   -2 :              -0.00002261874013
                   -1 :              -0.00002703287909
                   +0 :              -0.00003016461671
                   +1 :               0.00000209832339
                   +2 :               0.00003654301289
             13 vec=     7.989449    -10.360219    -10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00000071848842
                2p
                   -1 :               0.00002676329549
                   +0 :              -0.00000191914273
                   +1 :              -0.00000961279331
                3s
                   +0 :               0.00000316577435
                4s
                   +0 :              -0.00003772445939
                3p
                   -1 :              -0.00015914451816
                   +0 :              -0.00003039282234
                   +1 :               0.00005436988966
                4p
                   -1 :               0.00005649240393
                   +0 :               0.00002244612171
                   +1 :              -0.00001225085084
                3d
                   -2 :              -0.00000462814101
                   -1 :               0.00002526737574
                   +0 :              -0.00001012254706
                   +1 :              -0.00000388104907
                   +2 :              -0.00002808615741
             14 vec=    -7.570876      7.607297     13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00001628740199
                2p
                   -1 :               0.00001511850258
                   +0 :               0.00001879992846
                   +1 :              -0.00002738134379
                3s
                   +0 :               0.00037032540628
                4s
                   +0 :               0.00001743275515
                3p
                   -1 :               0.00009975267442
                   +0 :               0.00004854195198
                   +1 :              -0.00024660877004
                4p
                   -1 :               0.00002942825619
                   +0 :               0.00000920325270
                   +1 :              -0.00001806326357
                3d
                   -2 :              -0.00009929581887
                   -1 :               0.00001735872184
                   +0 :              -0.00006229748395
                   +1 :              -0.00004827113131
                   +2 :               0.00006948007576
             15 vec=     7.989449      7.607297     13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00000922701785
                2p
                   -1 :               0.00001869723353
                   +0 :              -0.00000103886612
                   +1 :               0.00000479867539
                3s
                   +0 :               0.00019337463429
                4s
                   +0 :              -0.00001732665357
                3p
                   -1 :               0.00003865442275
                   +0 :               0.00008676233810
                   +1 :               0.00010788938247
                4p
                   -1 :               0.00002239826629
                   +0 :              -0.00002110838241
                   +1 :              -0.00001109221491
                3d
                   -2 :               0.00002045302164
                   -1 :               0.00002235563758
                   +0 :              -0.00001826790161
                   +1 :               0.00001539784314
                   +2 :              -0.00002109049410
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al(  7)  npairs=  14
              1 vec=     0.209286      3.115418      1.580453   |vec|=    3.499637
                2s
                   +0 :               0.02238546558545
                2p
                   -1 :               0.02227372877758
                   +0 :               0.00419182264338
                   +1 :               0.00032956512941
                3s
                   +0 :               0.03323221067558
                4s
                   +0 :               0.00922502510025
                3p
                   -1 :               0.05819007251741
                   +0 :              -0.01385582560884
                   +1 :               0.00738644840481
                4p
                   -1 :               0.00951568045141
                   +0 :               0.00293185901386
                   +1 :              -0.00185107625536
                3d
                   -2 :               0.00376866546715
                   -1 :               0.00135335450733
                   +0 :              -0.03066480955762
                   +1 :              -0.00076565217072
                   +2 :              -0.03738831430245
              2 vec=     0.209286     -5.868340      1.580453   |vec|=    6.081040
                2s
                   +0 :              -0.00183901394089
                2p
                   -1 :               0.00147515569386
                   +0 :               0.00033603743437
                   +1 :              -0.00008663950399
                3s
                   +0 :               0.00398033170042
                4s
                   +0 :              -0.00360011053776
                3p
                   -1 :              -0.00589645523982
                   +0 :               0.00147880544893
                   +1 :              -0.00249176916346
                4p
                   -1 :               0.00204410856058
                   +0 :               0.00050260468115
                   +1 :               0.00051775919266
                3d
                   -2 :               0.00089194608042
                   -1 :              -0.00172088472884
                   +0 :               0.00013557261530
                   +1 :               0.00005018056591
                   +2 :              -0.00254232215442
              3 vec=    -7.570876     -1.376461      1.580453   |vec|=    7.855612
                2s
                   +0 :               0.00024897901039
                2p
                   -1 :              -0.00076478424011
                   +0 :              -0.00018515444157
                   +1 :               0.00005020883497
                3s
                   +0 :              -0.00571321424101
                4s
                   +0 :               0.00097718754571
                3p
                   -1 :               0.00618375093113
                   +0 :               0.00133698162853
                   +1 :               0.00506396007627
                4p
                   -1 :              -0.00114118968797
                   +0 :              -0.00100268312974
                   +1 :              -0.00031853100335
                3d
                   -2 :              -0.00210968362920
                   -1 :               0.00063350415619
                   +0 :               0.00112470213706
                   +1 :               0.00049655164313
                   +2 :              -0.00017742366510
              4 vec=     7.989449     -1.376461      1.580453   |vec|=    8.259768
                2s
                   +0 :              -0.00055370164130
                2p
                   -1 :              -0.00041714102188
                   +0 :               0.00020321349537
                   +1 :              -0.00089311456401
                3s
                   +0 :               0.00235327235383
                4s
                   +0 :              -0.00084593075643
                3p
                   -1 :               0.00236970250068
                   +0 :              -0.00090331255102
                   +1 :               0.00376767315857
                4p
                   -1 :              -0.00075449657433
                   +0 :               0.00025178335336
                   +1 :              -0.00119457932223
                3d
                   -2 :               0.00037110382335
                   -1 :               0.00076126002517
                   +0 :               0.00003405169709
                   +1 :               0.00018470798920
                   +2 :               0.00070179369249
              5 vec=    -7.570876      7.607297      1.580453   |vec|=   10.848362
                2s
                   +0 :               0.00013204421512
                2p
                   -1 :               0.00003677547194
                   +0 :               0.00009874112448
                   +1 :               0.00002375511609
                3s
                   +0 :               0.00020657920543
                4s
                   +0 :              -0.00004848818444
                3p
                   -1 :               0.00019649042629
                   +0 :              -0.00140309198123
                   +1 :              -0.00093852496393
                4p
                   -1 :              -0.00015014348001
                   +0 :               0.00019186573061
                   +1 :               0.00025768756930
                3d
                   -2 :              -0.00009309821910
                   -1 :              -0.00031515188619
                   +0 :               0.00018166226149
                   +1 :               0.00016265314768
                   +2 :               0.00014361325905
              6 vec=     7.989449      7.607297      1.580453   |vec|=   11.144509
                2s
                   +0 :               0.00001292562929
                2p
                   -1 :               0.00002944763046
                   +0 :               0.00000280025212
                   +1 :              -0.00004574918567
                3s
                   +0 :               0.00107683113532
                4s
                   +0 :              -0.00034391576683
                3p
                   -1 :               0.00026765226912
                   +0 :              -0.00063583678114
                   +1 :               0.00082947211615
                4p
                   -1 :              -0.00013362024025
                   +0 :               0.00008413600138
                   +1 :              -0.00022189294115
                3d
                   -2 :              -0.00001196931918
                   -1 :              -0.00000964558854
                   +0 :               0.00026550191363
                   +1 :              -0.00028486469526
                   +2 :               0.00027607116983
              7 vec=     0.209286     12.099176      1.580453   |vec|=   12.203757
                2s
                   +0 :              -0.00014205295700
                2p
                   -1 :              -0.00008250489991
                   +0 :              -0.00022598326969
                   +1 :              -0.00008840029179
                3s
                   +0 :               0.00029729562067
                4s
                   +0 :               0.00005074841096
                3p
                   -1 :               0.00033532653766
                   +0 :               0.00106355437784
                   +1 :               0.00042989923373
                4p
                   -1 :               0.00001289703090
                   +0 :              -0.00025239275033
                   +1 :              -0.00005673248246
                3d
                   -2 :               0.00007895437902
                   -1 :               0.00011755223160
                   +0 :               0.00007707812155
                   +1 :               0.00006129219860
                   +2 :              -0.00005986501389
              8 vec=    -7.570876    -10.360219      1.580453   |vec|=   12.928656
                2s
                   +0 :              -0.00007906332075
                2p
                   -1 :               0.00007504794606
                   +0 :               0.00020182707002
                   +1 :              -0.00016949235908
                3s
                   +0 :               0.00047541645384
                4s
                   +0 :              -0.00029748350785
                3p
                   -1 :              -0.00043862007851
                   +0 :              -0.00086416845423
                   +1 :               0.00079529720557
                4p
                   -1 :               0.00019037201037
                   +0 :               0.00020648189008
                   +1 :              -0.00015915067934
                3d
                   -2 :              -0.00029452626795
                   -1 :               0.00017630588675
                   +0 :               0.00010914178778
                   +1 :               0.00007084720526
                   +2 :              -0.00008869747722
              9 vec=     7.989449    -10.360219      1.580453   |vec|=   13.178136
                2s
                   +0 :               0.00024007145940
                2p
                   -1 :              -0.00006714763799
                   +0 :               0.00001396557769
                   +1 :               0.00015882514687
                3s
                   +0 :              -0.00059230484559
                4s
                   +0 :               0.00026969251680
                3p
                   -1 :               0.00030467928604
                   +0 :               0.00024955124423
                   +1 :              -0.00065539886687
                4p
                   -1 :              -0.00004570209657
                   +0 :              -0.00004048211838
                   +1 :               0.00018082390483
                3d
                   -2 :               0.00008150007820
                   -1 :               0.00005143332873
                   +0 :               0.00009939432701
                   +1 :              -0.00000635898356
                   +2 :              -0.00004586716609
             10 vec=     0.209286    -14.852098      1.580453   |vec|=   14.937418
                2s
                   +0 :               0.00004890898697
                2p
                   -1 :              -0.00000508755115
                   +0 :               0.00002058294477
                   +1 :               0.00001706113435
                3s
                   +0 :              -0.00018123295778
                4s
                   +0 :               0.00008426155476
                3p
                   -1 :               0.00012628137346
                   +0 :               0.00001174997364
                   +1 :              -0.00013556776585
                4p
                   -1 :              -0.00005561743814
                   +0 :              -0.00001067886937
                   +1 :               0.00005118678228
                3d
                   -2 :               0.00005820217504
                   -1 :              -0.00005413811491
                   +0 :               0.00006016706801
                   +1 :              -0.00000819423355
                   +2 :               0.00000536292710
             11 vec=   -15.351039      3.115418      1.580453   |vec|=   15.743508
                2s
                   +0 :              -0.00000589902755
                2p
                   -1 :               0.00003418409975
                   +0 :              -0.00001128362120
                   +1 :               0.00000274781737
                3s
                   +0 :               0.00002495098208
                4s
                   +0 :              -0.00002528125700
                3p
                   -1 :              -0.00017687809732
                   +0 :              -0.00006448141663
                   +1 :              -0.00003154730255
                4p
                   -1 :               0.00006948026856
                   +0 :               0.00004894185390
                   +1 :               0.00002264542312
                3d
                   -2 :               0.00001389179208
                   -1 :               0.00001357037092
                   +0 :              -0.00000313029164
                   +1 :               0.00000921457218
                   +2 :              -0.00004520864651
             12 vec=    15.769612      3.115418      1.580453   |vec|=   16.151913
                2s
                   +0 :              -0.00000688697296
                2p
                   -1 :              -0.00000530232637
                   +0 :               0.00001271553731
                   +1 :               0.00000308673565
                3s
                   +0 :               0.00007695294615
                4s
                   +0 :              -0.00002404576543
                3p
                   -1 :               0.00008062488010
                   +0 :              -0.00008248304103
                   +1 :               0.00000434211411
                4p
                   -1 :              -0.00001701128661
                   +0 :              -0.00000203018421
                   +1 :              -0.00000337251196
                3d
                   -2 :               0.00002212134652
                   -1 :              -0.00000479673041
                   +0 :               0.00003968933716
                   +1 :              -0.00001786027396
                   +2 :               0.00000811492997
             13 vec=   -15.351039     -5.868340      1.580453   |vec|=   16.510289
                2s
                   +0 :               0.00002138823271
                2p
                   -1 :              -0.00001788396084
                   +0 :               0.00000418875070
                   +1 :              -0.00001270705096
                3s
                   +0 :              -0.00020834003354
                4s
                   +0 :               0.00012275973763
                3p
                   -1 :               0.00009757388904
                   +0 :              -0.00002151606649
                   +1 :               0.00019262853620
                4p
                   -1 :              -0.00002305110274
                   +0 :               0.00000220962048
                   +1 :              -0.00009440332230
                3d
                   -2 :              -0.00003132515312
                   -1 :              -0.00001377806916
                   +0 :              -0.00002244253117
                   +1 :               0.00001003262484
                   +2 :              -0.00001518874491
             14 vec=    15.769612     -5.868340      1.580453   |vec|=   16.900175
                2s
                   +0 :              -0.00002716726336
                2p
                   -1 :               0.00000586097537
                   +0 :               0.00001086384279
                   +1 :               0.00002232983530
                3s
                   +0 :               0.00016130562713
                4s
                   +0 :              -0.00006695909934
                3p
                   -1 :              -0.00005122150244
                   +0 :              -0.00003076860744
                   +1 :              -0.00008325396315
                4p
                   -1 :               0.00002184619977
                   +0 :              -0.00000313192545
                   +1 :               0.00000919985804
                3d
                   -2 :               0.00002605367076
                   -1 :              -0.00002378468536
                   +0 :               0.00002027485119
                   +1 :              -0.00001356557944
                   +2 :              -0.00003346217659
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al(  8)  npairs=  14
              1 vec=     0.209286      3.115418     -5.671873   |vec|=    6.474548
                2s
                   +0 :               0.00458074024907
                2p
                   -1 :               0.00217311831608
                   +0 :              -0.00281790885624
                   +1 :               0.00028454502029
                3s
                   +0 :              -0.01192017222855
                4s
                   +0 :               0.00772348088032
                3p
                   -1 :              -0.00715115009282
                   +0 :               0.01105196726462
                   +1 :              -0.00031448603811
                4p
                   -1 :               0.00390215510192
                   +0 :              -0.00537553180911
                   +1 :              -0.00003295205161
                3d
                   -2 :               0.00025689553343
                   -1 :               0.00086063175995
                   +0 :              -0.00157828989923
                   +1 :              -0.00014114550314
                   +2 :              -0.00144443761896
              2 vec=     0.209286     -5.868340     -5.671873   |vec|=    8.164029
                2s
                   +0 :              -0.00119729501936
                2p
                   -1 :               0.00121722664974
                   +0 :               0.00042953249062
                   +1 :              -0.00004757129581
                3s
                   +0 :              -0.01095029384150
                4s
                   +0 :              -0.00104497262669
                3p
                   -1 :               0.00641306518757
                   +0 :               0.00011870022659
                   +1 :               0.00337203483709
                4p
                   -1 :               0.00143118405966
                   +0 :               0.00039693252399
                   +1 :              -0.00077894811454
                3d
                   -2 :              -0.00114359709648
                   -1 :              -0.00074882447893
                   +0 :               0.00191137729292
                   +1 :              -0.00018107121817
                   +2 :               0.00289600275973
              3 vec=    -7.570876     -1.376461     -5.671873   |vec|=    9.559444
                2s
                   +0 :              -0.00055795551343
                2p
                   -1 :              -0.00104609539954
                   +0 :               0.00004135052133
                   +1 :              -0.00036088191343
                3s
                   +0 :               0.00090777097929
                4s
                   +0 :              -0.00024563390002
                3p
                   -1 :               0.00489451737840
                   +0 :              -0.00022155728025
                   +1 :               0.00147386316015
                4p
                   -1 :              -0.00089850142015
                   +0 :               0.00018562883114
                   +1 :              -0.00034570175244
                3d
                   -2 :              -0.00037496574254
                   -1 :              -0.00061784679803
                   +0 :              -0.00034066397605
                   +1 :              -0.00062379212745
                   +2 :              -0.00104476147795
              4 vec=     7.989449     -1.376461     -5.671873   |vec|=    9.894245
                2s
                   +0 :               0.00010764933444
                2p
                   -1 :               0.00008234953919
                   +0 :              -0.00043382917171
                   +1 :              -0.00030360252237
                3s
                   +0 :              -0.00038707266941
                4s
                   +0 :              -0.00003322778824
                3p
                   -1 :              -0.00027429919627
                   +0 :               0.00240279694132
                   +1 :               0.00130410574078
                4p
                   -1 :               0.00026644198428
                   +0 :              -0.00067887881429
                   +1 :              -0.00056689910847
                3d
                   -2 :               0.00030950475634
                   -1 :               0.00003926183857
                   +0 :              -0.00013028750835
                   +1 :               0.00022332850473
                   +2 :               0.00013058227459
              5 vec=    -7.570876      7.607297     -5.671873   |vec|=   12.139163
                2s
                   +0 :              -0.00032803050586
                2p
                   -1 :              -0.00003591874218
                   +0 :               0.00005637665583
                   +1 :               0.00018276595856
                3s
                   +0 :               0.00063121375723
                4s
                   +0 :              -0.00030465479265
                3p
                   -1 :               0.00005158762748
                   +0 :               0.00032396839716
                   +1 :              -0.00038968322744
                4p
                   -1 :              -0.00003456338573
                   +0 :               0.00000931683185
                   +1 :               0.00017645877595
                3d
                   -2 :               0.00006252870721
                   -1 :              -0.00006060392120
                   +0 :              -0.00006134146868
                   +1 :               0.00024196701779
                   +2 :               0.00017726770396
              6 vec=     7.989449      7.607297     -5.671873   |vec|=   12.404532
                2s
                   +0 :              -0.00054423253314
                2p
                   -1 :              -0.00016543235649
                   +0 :               0.00015589323116
                   +1 :              -0.00028750583127
                3s
                   +0 :               0.00141185316634
                4s
                   +0 :              -0.00031776771651
                3p
                   -1 :               0.00087109221026
                   +0 :              -0.00046689315174
                   +1 :               0.00120252032864
                4p
                   -1 :              -0.00004201772359
                   +0 :               0.00008913593452
                   +1 :              -0.00022108931789
                3d
                   -2 :               0.00042853517839
                   -1 :              -0.00030305589770
                   +0 :              -0.00017105626427
                   +1 :              -0.00028751423559
                   +2 :               0.00007572318683
              7 vec=     0.209286     12.099176     -5.671873   |vec|=   13.364281
                2s
                   +0 :               0.00022497161268
                2p
                   -1 :               0.00012131666495
                   +0 :               0.00000825742952
                   +1 :              -0.00007374815037
                3s
                   +0 :              -0.00113322996181
                4s
                   +0 :               0.00018692438162
                3p
                   -1 :              -0.00068796724623
                   +0 :              -0.00014751209059
                   +1 :               0.00027464629586
                4p
                   -1 :               0.00012170836788
                   +0 :               0.00007206696462
                   +1 :              -0.00004198652873
                3d
                   -2 :               0.00018937787269
                   -1 :               0.00000147328825
                   +0 :              -0.00003632699078
                   +1 :              -0.00003430515433
                   +2 :               0.00005142927589
              8 vec=    -7.570876    -10.360219     -5.671873   |vec|=   14.029343
                2s
                   +0 :              -0.00030623924278
                2p
                   -1 :               0.00028904167032
                   +0 :               0.00010182817966
                   +1 :              -0.00004543313705
                3s
                   +0 :               0.00107399577380
                4s
                   +0 :              -0.00042655529669
                3p
                   -1 :              -0.00137717890267
                   +0 :              -0.00036146034114
                   +1 :               0.00017676249579
                4p
                   -1 :               0.00035399858810
                   +0 :               0.00002389895105
                   +1 :               0.00000276302229
                3d
                   -2 :              -0.00000569102705
                   -1 :               0.00024926246693
                   +0 :              -0.00006015919926
                   +1 :               0.00000311255226
                   +2 :              -0.00023330392262
              9 vec=     7.989449    -10.360219     -5.671873   |vec|=   14.259579
                2s
                   +0 :              -0.00005861823814
                2p
                   -1 :               0.00003252118358
                   +0 :               0.00001003766395
                   +1 :               0.00008364374543
                3s
                   +0 :               0.00019074923382
                4s
                   +0 :              -0.00009183867201
                3p
                   -1 :              -0.00022116270006
                   +0 :              -0.00013713545916
                   +1 :              -0.00041862108031
                4p
                   -1 :               0.00007255514063
                   +0 :               0.00006569057683
                   +1 :               0.00005790571799
                3d
                   -2 :               0.00014467522149
                   -1 :              -0.00000308561592
                   +0 :              -0.00004216417667
                   +1 :               0.00007572211134
                   +2 :              -0.00002787189281
             10 vec=     0.209286    -14.852098     -5.671873   |vec|=   15.899647
                2s
                   +0 :              -0.00004869007116
                2p
                   -1 :               0.00001246520467
                   +0 :               0.00002349976394
                   +1 :               0.00000501606150
                3s
                   +0 :               0.00012552848930
                4s
                   +0 :              -0.00001614485441
                3p
                   -1 :              -0.00002727233845
                   +0 :              -0.00007523789854
                   +1 :              -0.00008515468880
                4p
                   -1 :              -0.00001030376288
                   +0 :              -0.00000368743615
                   +1 :               0.00002785288165
                3d
                   -2 :              -0.00000054202659
                   -1 :               0.00004475387300
                   +0 :               0.00002228795435
                   +1 :              -0.00000712013775
                   +2 :              -0.00001911112773
             11 vec=   -15.351039      3.115418     -5.671873   |vec|=   16.659243
                2s
                   +0 :               0.00002107885781
                2p
                   -1 :               0.00001258496816
                   +0 :              -0.00002116950219
                   +1 :               0.00000836161832
                3s
                   +0 :              -0.00003268211840
                4s
                   +0 :               0.00003016845535
                3p
                   -1 :              -0.00024317178355
                   +0 :               0.00035007605676
                   +1 :              -0.00004933762620
                4p
                   -1 :               0.00002363559211
                   +0 :              -0.00003175600357
                   +1 :               0.00001694360094
                3d
                   -2 :               0.00002457922497
                   -1 :               0.00003785778739
                   +0 :               0.00003207373431
                   +1 :              -0.00004951382933
                   +2 :               0.00005019901702
             12 vec=    15.769612      3.115418     -5.671873   |vec|=   17.045722
                2s
                   +0 :              -0.00003906703438
                2p
                   -1 :              -0.00002551034215
                   +0 :               0.00002135605290
                   +1 :              -0.00003730502456
                3s
                   +0 :               0.00001197945376
                4s
                   +0 :              -0.00003006790726
                3p
                   -1 :               0.00003995351580
                   +0 :              -0.00003888269118
                   +1 :               0.00010809382138
                4p
                   -1 :              -0.00001696544495
                   +0 :               0.00002551959375
                   +1 :              -0.00004326887039
                3d
                   -2 :               0.00000722728179
                   -1 :              -0.00001134690534
                   +0 :              -0.00001475744780
                   +1 :              -0.00001086456347
                   +2 :               0.00004082417355
             13 vec=   -15.351039     -5.868340     -5.671873   |vec|=   17.385683
                2s
                   +0 :              -0.00000183688916
                2p
                   -1 :              -0.00001699575033
                   +0 :              -0.00000783839957
                   +1 :              -0.00002559220161
                3s
                   +0 :              -0.00013087230350
                4s
                   +0 :               0.00006599314102
                3p
                   -1 :               0.00013571806119
                   +0 :               0.00006428724149
                   +1 :               0.00021078603681
                4p
                   -1 :              -0.00003546530973
                   +0 :              -0.00003570756827
                   +1 :              -0.00008317225452
                3d
                   -2 :              -0.00004895521918
                   -1 :              -0.00002657454073
                   +0 :              -0.00003342116918
                   +1 :              -0.00002454965624
                   +2 :              -0.00002217758232
             14 vec=    15.769612     -5.868340     -5.671873   |vec|=   17.756357
                2s
                   +0 :              -0.00001042446590
                2p
                   -1 :               0.00000921286415
                   +0 :               0.00000706413347
                   +1 :              -0.00001787144928
                3s
                   +0 :               0.00007217433552
                4s
                   +0 :              -0.00005145183039
                3p
                   -1 :              -0.00005095262376
                   +0 :              -0.00006696238426
                   +1 :               0.00011364717300
                4p
                   -1 :               0.00002964101309
                   +0 :               0.00002096792894
                   +1 :              -0.00004622508309
                3d
                   -2 :              -0.00000974019115
                   -1 :              -0.00000145735644
                   +0 :              -0.00000120436950
                   +1 :              -0.00001606825882
                   +2 :               0.00000755182112
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al(  9)  npairs=  13
              1 vec=    -2.384101     -1.376461     -9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00023008759793
                2p
                   -1 :               0.00017824168749
                   +0 :              -0.00018249755129
                   +1 :               0.00012606371966
                3s
                   +0 :              -0.00088276250473
                4s
                   +0 :               0.00022104551030
                3p
                   -1 :              -0.00119217766154
                   +0 :               0.00156002575953
                   +1 :              -0.00099787405217
                4p
                   -1 :               0.00017560855939
                   +0 :              -0.00054070981931
                   +1 :              -0.00000133824812
                3d
                   -2 :              -0.00021706160719
                   -1 :              -0.00031103793588
                   +0 :               0.00003824011569
                   +1 :              -0.00037133293556
                   +2 :               0.00020980632472
              2 vec=     5.396061      3.115418     -9.762967   |vec|=   11.581832
                2s
                   +0 :               0.00084555355852
                2p
                   -1 :              -0.00005317942305
                   +0 :              -0.00016515354026
                   +1 :               0.00017261304112
                3s
                   +0 :              -0.00353506783667
                4s
                   +0 :               0.00119054142580
                3p
                   -1 :               0.00020244078588
                   +0 :               0.00182296891483
                   +1 :              -0.00102254352197
                4p
                   -1 :              -0.00010336452839
                   +0 :              -0.00047034178091
                   +1 :               0.00029960260061
                3d
                   -2 :               0.00017950472554
                   -1 :               0.00011333703712
                   +0 :              -0.00040448644253
                   +1 :               0.00010098635319
                   +2 :               0.00008849942051
              3 vec=    -2.384101      7.607297     -9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00004873526171
                2p
                   -1 :              -0.00003416976216
                   +0 :               0.00003974226744
                   +1 :               0.00014236362562
                3s
                   +0 :              -0.00142261473045
                4s
                   +0 :               0.00000998603798
                3p
                   -1 :              -0.00092373907500
                   +0 :               0.00021770202068
                   +1 :              -0.00018619131860
                4p
                   -1 :              -0.00010131065034
                   +0 :              -0.00000840199455
                   +1 :               0.00023057087423
                3d
                   -2 :               0.00017192576587
                   -1 :               0.00010203150263
                   +0 :               0.00022844583537
                   +1 :              -0.00008556847391
                   +2 :               0.00019746655187
              4 vec=     5.396061     -5.868340     -9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00027053855354
                2p
                   -1 :               0.00014896904231
                   +0 :               0.00010839599051
                   +1 :              -0.00022154427586
                3s
                   +0 :              -0.00084047372921
                4s
                   +0 :              -0.00003832044870
                3p
                   -1 :               0.00033089665824
                   +0 :               0.00029045011833
                   +1 :              -0.00082310545596
                4p
                   -1 :               0.00008788508385
                   +0 :              -0.00006586170628
                   +1 :              -0.00010316857067
                3d
                   -2 :               0.00042923374849
                   -1 :              -0.00015318609159
                   +0 :               0.00030751267112
                   +1 :               0.00012253249761
                   +2 :              -0.00012111006305
              5 vec=   -10.164264      3.115418     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00007976040588
                2p
                   -1 :               0.00014554526901
                   +0 :              -0.00002555020888
                   +1 :              -0.00014105240699
                3s
                   +0 :              -0.00013599992624
                4s
                   +0 :               0.00009090886872
                3p
                   -1 :              -0.00118165338844
                   +0 :               0.00007238801932
                   +1 :               0.00101675097460
                4p
                   -1 :               0.00015551396610
                   +0 :               0.00003630459741
                   +1 :              -0.00019148294106
                3d
                   -2 :               0.00000477661138
                   -1 :               0.00020738284475
                   +0 :              -0.00005945964208
                   +1 :              -0.00021099899956
                   +2 :              -0.00041205884415
              6 vec=    -2.384101    -10.360219     -9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00019876116247
                2p
                   -1 :               0.00004039802608
                   +0 :               0.00005436795061
                   +1 :               0.00005550291569
                3s
                   +0 :               0.00032789035229
                4s
                   +0 :              -0.00015089784148
                3p
                   -1 :               0.00000155330943
                   +0 :              -0.00015905283659
                   +1 :              -0.00008791258843
                4p
                   -1 :              -0.00002024274667
                   +0 :               0.00000764206113
                   +1 :               0.00002136847098
                3d
                   -2 :               0.00006547513419
                   -1 :               0.00000644941570
                   +0 :              -0.00000816169530
                   +1 :              -0.00004607132733
                   +2 :               0.00003697382306
              7 vec=    -2.384101     -1.376461     14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00002728029046
                2p
                   -1 :              -0.00012069804057
                   +0 :               0.00001677014452
                   +1 :               0.00002172808242
                3s
                   +0 :               0.00018906656260
                4s
                   +0 :              -0.00006681225077
                3p
                   -1 :               0.00066554332447
                   +0 :               0.00014514167028
                   +1 :              -0.00004435628509
                4p
                   -1 :              -0.00015601971549
                   +0 :              -0.00006243974190
                   +1 :               0.00005298406469
                3d
                   -2 :               0.00003095207989
                   -1 :               0.00008501315536
                   +0 :               0.00004433040872
                   +1 :               0.00004283525912
                   +2 :              -0.00002373867642
              8 vec=   -10.164264     -5.868340     -9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00002993059289
                2p
                   -1 :              -0.00000312444526
                   +0 :               0.00010375089290
                   +1 :               0.00003001341420
                3s
                   +0 :               0.00002382100725
                4s
                   +0 :              -0.00022030793830
                3p
                   -1 :               0.00007450344735
                   +0 :              -0.00045980893636
                   +1 :              -0.00018523674942
                4p
                   -1 :               0.00003737043476
                   +0 :               0.00021346595935
                   +1 :               0.00015704329447
                3d
                   -2 :              -0.00003723689253
                   -1 :               0.00002735975666
                   +0 :               0.00001929063792
                   +1 :               0.00011522079655
                   +2 :              -0.00003796277129
              9 vec=     5.396061      3.115418     14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00004068932440
                2p
                   -1 :              -0.00001665018473
                   +0 :              -0.00000617683965
                   +1 :               0.00000782500680
                3s
                   +0 :               0.00015322419291
                4s
                   +0 :              -0.00000162227794
                3p
                   -1 :              -0.00005291220326
                   +0 :              -0.00005963268018
                   +1 :              -0.00015519074816
                4p
                   -1 :               0.00002696150093
                   +0 :               0.00005306383820
                   +1 :               0.00003141791764
                3d
                   -2 :              -0.00000728994306
                   -1 :              -0.00000507776333
                   +0 :               0.00001004336721
                   +1 :              -0.00004041505322
                   +2 :               0.00002887118123
             10 vec=     5.396061     12.099176     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00012956421482
                2p
                   -1 :               0.00007853329067
                   +0 :              -0.00002924430177
                   +1 :               0.00004371856967
                3s
                   +0 :              -0.00054182410064
                4s
                   +0 :               0.00015053084356
                3p
                   -1 :              -0.00038615715089
                   +0 :               0.00010435754225
                   +1 :              -0.00025636817989
                4p
                   -1 :               0.00009617474758
                   +0 :              -0.00000720969140
                   +1 :               0.00005212297427
                3d
                   -2 :              -0.00003679660180
                   -1 :               0.00003253680076
                   +0 :               0.00000932601748
                   +1 :               0.00002952391522
                   +2 :               0.00006160753167
             11 vec=    13.176224     -1.376461     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00003409877296
                2p
                   -1 :              -0.00001043215129
                   +0 :               0.00000795888932
                   +1 :               0.00001615397099
                3s
                   +0 :              -0.00015186838338
                4s
                   +0 :               0.00007854247342
                3p
                   -1 :               0.00002300379153
                   +0 :              -0.00008936094634
                   +1 :              -0.00005035649620
                4p
                   -1 :              -0.00001919283681
                   +0 :               0.00001981879314
                   +1 :               0.00002818566181
                3d
                   -2 :               0.00001262951666
                   -1 :              -0.00001027399945
                   +0 :               0.00001039356959
                   +1 :              -0.00001071267285
                   +2 :              -0.00000700194096
             12 vec=    -2.384101      7.607297     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00003085644883
                2p
                   -1 :              -0.00000051044805
                   +0 :               0.00000567875521
                   +1 :              -0.00001193581285
                3s
                   +0 :               0.00034770196454
                4s
                   +0 :              -0.00006966012980
                3p
                   -1 :               0.00005287040635
                   +0 :               0.00004522907355
                   +1 :              -0.00008224027794
                4p
                   -1 :               0.00000972542099
                   +0 :              -0.00001712836658
                   +1 :               0.00000915570706
                3d
                   -2 :              -0.00000171762493
                   -1 :              -0.00002826216716
                   +0 :              -0.00006444436897
                   +1 :              -0.00002772476572
                   +2 :               0.00008108727704
             13 vec=     5.396061     -5.868340     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00010878837066
                2p
                   -1 :              -0.00001855295569
                   +0 :              -0.00001988734522
                   +1 :              -0.00002806797762
                3s
                   +0 :               0.00057072456807
                4s
                   +0 :              -0.00014957205682
                3p
                   -1 :              -0.00013781077288
                   +0 :               0.00014922812749
                   +1 :               0.00012103715489
                4p
                   -1 :               0.00000736267715
                   +0 :              -0.00002746552506
                   +1 :              -0.00004174780037
                3d
                   -2 :              -0.00002739710774
                   -1 :              -0.00004086782695
                   +0 :              -0.00005606801813
                   +1 :              -0.00000015915822
                   +2 :              -0.00010343564675
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al( 10)  npairs=  14
              1 vec=    -2.384101     -1.376461     -2.510641   |vec|=    3.725842
                2s
                   +0 :              -0.02033729495541
                2p
                   -1 :               0.01529480929797
                   +0 :               0.01885665347989
                   +1 :               0.02111631363385
                3s
                   +0 :              -0.07754057062088
                4s
                   +0 :              -0.00612531850817
                3p
                   -1 :               0.01879048161580
                   +0 :               0.02987886602605
                   +1 :               0.04818569340600
                4p
                   -1 :               0.00951908400377
                   +0 :               0.00964362876028
                   +1 :               0.01014113011778
                3d
                   -2 :              -0.03359021414993
                   -1 :              -0.01981788273704
                   +0 :               0.00862136186447
                   +1 :              -0.03311302371695
                   +2 :              -0.01787494230007
              2 vec=     5.396061      3.115418     -2.510641   |vec|=    6.717635
                2s
                   +0 :               0.00227440191350
                2p
                   -1 :               0.00134402600812
                   +0 :              -0.00056363081868
                   +1 :               0.00136158319492
                3s
                   +0 :              -0.00937328161237
                4s
                   +0 :               0.00534796542993
                3p
                   -1 :              -0.00537335053877
                   +0 :               0.00013968244990
                   +1 :              -0.00520148916527
                4p
                   -1 :               0.00226546991804
                   +0 :              -0.00166922326343
                   +1 :               0.00237391991497
                3d
                   -2 :              -0.00065445309008
                   -1 :               0.00018252185243
                   +0 :              -0.00282724647341
                   +1 :               0.00022707271869
                   +2 :              -0.00095067817300
              3 vec=    -2.384101      7.607297     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00095436850863
                2p
                   -1 :              -0.00030531236637
                   +0 :               0.00015160557154
                   +1 :              -0.00017119876087
                3s
                   +0 :               0.00330535299439
                4s
                   +0 :              -0.00203775695127
                3p
                   -1 :               0.00241701026132
                   +0 :              -0.00114698632953
                   +1 :              -0.00058979583543
                4p
                   -1 :              -0.00059814830943
                   +0 :               0.00043436151604
                   +1 :               0.00016435672819
                3d
                   -2 :               0.00059623685590
                   -1 :              -0.00022322382271
                   +0 :               0.00026416253718
                   +1 :              -0.00041739391167
                   +2 :              -0.00056872843524
              4 vec=     5.396061     -5.868340     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00060857093391
                2p
                   -1 :               0.00019928975139
                   +0 :               0.00037079630819
                   +1 :              -0.00042896767465
                3s
                   +0 :               0.00627532543636
                4s
                   +0 :              -0.00288080490426
                3p
                   -1 :              -0.00326051476429
                   +0 :              -0.00431832421382
                   +1 :               0.00457088953545
                4p
                   -1 :               0.00156521031387
                   +0 :               0.00110189737507
                   +1 :              -0.00118831848976
                3d
                   -2 :              -0.00099216465865
                   -1 :               0.00093926178355
                   +0 :               0.00041427906932
                   +1 :              -0.00077237924172
                   +2 :               0.00006340930794
              5 vec=   -10.164264      3.115418     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00023540712870
                2p
                   -1 :              -0.00008982169465
                   +0 :              -0.00031976454814
                   +1 :               0.00026247082424
                3s
                   +0 :              -0.00101013136574
                4s
                   +0 :               0.00022374609631
                3p
                   -1 :              -0.00052191787662
                   +0 :               0.00163010383989
                   +1 :              -0.00019628458289
                4p
                   -1 :              -0.00007073582652
                   +0 :              -0.00038186379087
                   +1 :               0.00005840725720
                3d
                   -2 :               0.00024413206360
                   -1 :              -0.00006997418842
                   +0 :               0.00001896140702
                   +1 :              -0.00035913533508
                   +2 :               0.00027195272117
              6 vec=    -2.384101    -10.360219     -2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00005658623110
                2p
                   -1 :              -0.00014971326999
                   +0 :               0.00005922560204
                   +1 :              -0.00009881062998
                3s
                   +0 :              -0.00125757013680
                4s
                   +0 :               0.00052332253184
                3p
                   -1 :               0.00182711490467
                   +0 :              -0.00006654407960
                   +1 :               0.00013265479976
                4p
                   -1 :              -0.00051123822110
                   +0 :              -0.00008331638021
                   +1 :              -0.00002274697230
                3d
                   -2 :               0.00020487049294
                   -1 :               0.00000458420211
                   +0 :               0.00016446960312
                   +1 :              -0.00006059816954
                   +2 :               0.00030752920443
              7 vec=   -10.164264     -5.868340     -2.510641   |vec|=   12.002208
                2s
                   +0 :               0.00010565151835
                2p
                   -1 :               0.00016398241452
                   +0 :              -0.00005464778299
                   +1 :              -0.00000781067170
                3s
                   +0 :              -0.00006283397078
                4s
                   +0 :              -0.00042391612117
                3p
                   -1 :              -0.00098025743560
                   +0 :               0.00019954150442
                   +1 :              -0.00027120299881
                4p
                   -1 :               0.00041328476876
                   +0 :              -0.00006131573940
                   +1 :               0.00036166372104
                3d
                   -2 :               0.00013045322623
                   -1 :               0.00004591228133
                   +0 :              -0.00005769818150
                   +1 :              -0.00012555079426
                   +2 :              -0.00043999561825
              8 vec=     5.396061     12.099176     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00016064764087
                2p
                   -1 :              -0.00001446360836
                   +0 :              -0.00006377596965
                   +1 :              -0.00004228724095
                3s
                   +0 :               0.00038819773427
                4s
                   +0 :               0.00002609975598
                3p
                   -1 :              -0.00010651603469
                   +0 :               0.00019402243140
                   +1 :               0.00012677389597
                4p
                   -1 :               0.00012898089482
                   +0 :              -0.00000837486674
                   +1 :               0.00001109153659
                3d
                   -2 :              -0.00005058324578
                   -1 :               0.00000337386271
                   +0 :               0.00000331833377
                   +1 :               0.00006087959312
                   +2 :               0.00003564120840
              9 vec=    13.176224     -1.376461     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00016481512874
                2p
                   -1 :               0.00000450675362
                   +0 :               0.00007717940114
                   +1 :               0.00002354632325
                3s
                   +0 :               0.00062843521154
                4s
                   +0 :              -0.00016047836351
                3p
                   -1 :              -0.00014045328931
                   +0 :              -0.00041280733872
                   +1 :              -0.00011629619016
                4p
                   -1 :               0.00006013761963
                   +0 :               0.00002676742067
                   +1 :               0.00002507633230
                3d
                   -2 :              -0.00012048566074
                   -1 :               0.00015242525624
                   +0 :               0.00006331797647
                   +1 :              -0.00015132972894
                   +2 :              -0.00022815120374
             10 vec=    13.176224      7.607297     -2.510641   |vec|=   15.420349
                2s
                   +0 :               0.00000244877354
                2p
                   -1 :               0.00004162337837
                   +0 :               0.00002807947992
                   +1 :               0.00001916921380
                3s
                   +0 :              -0.00000712482246
                4s
                   +0 :               0.00001315271993
                3p
                   -1 :              -0.00020546643700
                   +0 :              -0.00016230174436
                   +1 :              -0.00007240282773
                4p
                   -1 :               0.00007447337115
                   +0 :               0.00003046155307
                   +1 :               0.00002162083752
                3d
                   -2 :              -0.00005602349532
                   -1 :              -0.00003391661428
                   +0 :               0.00000587007660
                   +1 :              -0.00003837568833
                   +2 :              -0.00001739882039
             11 vec=   -10.164264     12.099176     -2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00006480398207
                2p
                   -1 :              -0.00001299012931
                   +0 :               0.00004146700656
                   +1 :              -0.00006065141100
                3s
                   +0 :              -0.00037564993032
                4s
                   +0 :               0.00010133138954
                3p
                   -1 :               0.00006382146765
                   +0 :              -0.00018687963399
                   +1 :               0.00041864262396
                4p
                   -1 :              -0.00000879112036
                   +0 :               0.00000884114896
                   +1 :              -0.00010389591493
                3d
                   -2 :               0.00002448371856
                   -1 :              -0.00002588738369
                   +0 :               0.00001122422127
                   +1 :               0.00004960083372
                   +2 :              -0.00004716175972
             12 vec=     5.396061    -14.852098     -2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00002937736772
                2p
                   -1 :               0.00001869011222
                   +0 :              -0.00002017595283
                   +1 :               0.00000564535343
                3s
                   +0 :              -0.00003270484157
                4s
                   +0 :              -0.00000223467686
                3p
                   -1 :               0.00000353178402
                   +0 :              -0.00000035018426
                   +1 :              -0.00002670001404
                4p
                   -1 :              -0.00000120485768
                   +0 :              -0.00001408966982
                   +1 :               0.00002092367041
                3d
                   -2 :              -0.00003007297088
                   -1 :               0.00001072321321
                   +0 :              -0.00001992432798
                   +1 :              -0.00002065294205
                   +2 :               0.00000841503831
             13 vec=    -2.384101     16.591055     -2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00003057483722
                2p
                   -1 :               0.00000007449184
                   +0 :              -0.00001028458590
                   +1 :               0.00001721136405
                3s
                   +0 :              -0.00014599805123
                4s
                   +0 :               0.00002018834142
                3p
                   -1 :              -0.00000490203279
                   +0 :               0.00001758854926
                   +1 :              -0.00005638284032
                4p
                   -1 :              -0.00001016720257
                   +0 :               0.00000962718921
                   +1 :               0.00000567971907
                3d
                   -2 :              -0.00001821679602
                   -1 :               0.00001283714231
                   +0 :              -0.00001599883401
                   +1 :              -0.00000377737163
                   +2 :              -0.00000182040422
             14 vec=    13.176224    -10.360219     -2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00002681221890
                2p
                   -1 :               0.00000050778330
                   +0 :              -0.00000045128834
                   +1 :              -0.00001245366034
                3s
                   +0 :               0.00012857697353
                4s
                   +0 :              -0.00003910235333
                3p
                   -1 :              -0.00002396153508
                   +0 :              -0.00002753068811
                   +1 :               0.00004109965599
                4p
                   -1 :              -0.00001397366529
                   +0 :               0.00000844483421
                   +1 :              -0.00001614124065
                3d
                   -2 :               0.00004059896669
                   -1 :              -0.00001559663053
                   +0 :               0.00000232392435
                   +1 :              -0.00000191926444
                   +2 :               0.00000876316273
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al( 11)  npairs=  13
              1 vec=    -2.384101     -1.376461      9.763130   |vec|=   10.143831
                2s
                   +0 :               0.00048039909314
                2p
                   -1 :              -0.00007372652845
                   +0 :              -0.00021699799931
                   +1 :              -0.00033555890664
                3s
                   +0 :              -0.00008174157019
                4s
                   +0 :              -0.00001905703440
                3p
                   -1 :               0.00016589306578
                   +0 :               0.00182325087874
                   +1 :               0.00142545502457
                4p
                   -1 :               0.00008053184982
                   +0 :              -0.00059316681772
                   +1 :              -0.00019016943846
                3d
                   -2 :              -0.00009780290222
                   -1 :              -0.00021284186681
                   +0 :               0.00013608201588
                   +1 :              -0.00058109363473
                   +2 :               0.00019704768256
              2 vec=     5.396061      3.115418      9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00075878484124
                2p
                   -1 :              -0.00012914701080
                   +0 :              -0.00017310452144
                   +1 :              -0.00000982008904
                3s
                   +0 :               0.00270052396380
                4s
                   +0 :              -0.00113755933577
                3p
                   -1 :               0.00074600686021
                   +0 :               0.00140594910059
                   +1 :               0.00006157128770
                4p
                   -1 :              -0.00026744251064
                   +0 :              -0.00048440543159
                   +1 :               0.00000918006832
                3d
                   -2 :              -0.00023450074050
                   -1 :               0.00008671615032
                   +0 :               0.00029615306114
                   +1 :               0.00003628817357
                   +2 :              -0.00007834788487
              3 vec=    -2.384101      7.607297      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00035147561491
                2p
                   -1 :               0.00037900820898
                   +0 :               0.00013927852502
                   +1 :              -0.00003050630437
                3s
                   +0 :               0.00165910813883
                4s
                   +0 :               0.00016224847728
                3p
                   -1 :               0.00123479781988
                   +0 :               0.00029150654910
                   +1 :               0.00059052290697
                4p
                   -1 :               0.00024003178206
                   +0 :              -0.00005346672769
                   +1 :              -0.00012254710783
                3d
                   -2 :               0.00018009332897
                   -1 :               0.00017558747121
                   +0 :              -0.00036681750017
                   +1 :               0.00006299435742
                   +2 :              -0.00065086692924
              4 vec=     5.396061     -5.868340      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00002157046233
                2p
                   -1 :              -0.00023108695861
                   +0 :               0.00005111129249
                   +1 :               0.00002866941620
                3s
                   +0 :               0.00164063705829
                4s
                   +0 :               0.00007613873325
                3p
                   -1 :               0.00004697686582
                   +0 :               0.00027398478862
                   +1 :               0.00117457914340
                4p
                   -1 :              -0.00037173425100
                   +0 :               0.00006378489835
                   +1 :               0.00000529783777
                3d
                   -2 :              -0.00033021374176
                   -1 :              -0.00016427520279
                   +0 :              -0.00024519852288
                   +1 :               0.00006870474859
                   +2 :               0.00014142716686
              5 vec=   -10.164264      3.115418      9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00001379102507
                2p
                   -1 :              -0.00014397193131
                   +0 :              -0.00001866690454
                   +1 :              -0.00012043228379
                3s
                   +0 :              -0.00013881279676
                4s
                   +0 :               0.00007270795927
                3p
                   -1 :               0.00063859805965
                   +0 :               0.00006715754030
                   +1 :               0.00062295004883
                4p
                   -1 :              -0.00008975473677
                   +0 :              -0.00001726361068
                   +1 :              -0.00015445117254
                3d
                   -2 :              -0.00007744347434
                   -1 :               0.00011981037711
                   +0 :              -0.00000857353589
                   +1 :               0.00005918264650
                   +2 :              -0.00016043794599
              6 vec=    -2.384101    -10.360219      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00013806034032
                2p
                   -1 :               0.00014534929456
                   +0 :              -0.00001806805116
                   +1 :              -0.00000419810228
                3s
                   +0 :               0.00057310135608
                4s
                   +0 :              -0.00020577436619
                3p
                   -1 :              -0.00070911919285
                   +0 :               0.00006526342108
                   +1 :              -0.00001045881547
                4p
                   -1 :               0.00022317958905
                   +0 :              -0.00000126107408
                   +1 :               0.00002912374630
                3d
                   -2 :              -0.00005409220129
                   -1 :              -0.00008996897954
                   +0 :              -0.00004664768000
                   +1 :               0.00005219794169
                   +2 :              -0.00000188333183
              7 vec=    -2.384101     -1.376461    -14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00002152320397
                2p
                   -1 :              -0.00002793252712
                   +0 :               0.00001626959049
                   +1 :               0.00009879349272
                3s
                   +0 :              -0.00051734368409
                4s
                   +0 :               0.00011678542131
                3p
                   -1 :               0.00006440910646
                   +0 :               0.00014604439930
                   +1 :              -0.00063270824242
                4p
                   -1 :              -0.00005665443634
                   +0 :              -0.00005590568693
                   +1 :               0.00011340913635
                3d
                   -2 :              -0.00001646136823
                   -1 :               0.00004230524509
                   +0 :              -0.00001581859688
                   +1 :               0.00009636190936
                   +2 :              -0.00002594814819
              8 vec=   -10.164264     -5.868340      9.763130   |vec|=   15.266578
                2s
                   +0 :               0.00018677486388
                2p
                   -1 :              -0.00005051993904
                   +0 :               0.00016597636277
                   +1 :              -0.00012206786847
                3s
                   +0 :              -0.00051586934814
                4s
                   +0 :               0.00022124166932
                3p
                   -1 :               0.00012825453095
                   +0 :              -0.00071938106625
                   +1 :               0.00058806748153
                4p
                   -1 :              -0.00000112139039
                   +0 :               0.00022012028585
                   +1 :              -0.00019894918213
                3d
                   -2 :              -0.00008654807372
                   -1 :               0.00013647018325
                   +0 :              -0.00003697646869
                   +1 :               0.00021025867902
                   +2 :              -0.00003680167858
              9 vec=     5.396061      3.115418    -14.784412   |vec|=   16.043757
                2s
                   +0 :               0.00009719054059
                2p
                   -1 :              -0.00000996557073
                   +0 :              -0.00002470446631
                   +1 :               0.00002700177509
                3s
                   +0 :              -0.00038496695040
                4s
                   +0 :               0.00005870072659
                3p
                   -1 :               0.00006728474166
                   +0 :               0.00002972334900
                   +1 :              -0.00011304087582
                4p
                   -1 :              -0.00000919234494
                   +0 :               0.00003415941139
                   +1 :              -0.00001514407073
                3d
                   -2 :              -0.00003045986730
                   -1 :              -0.00000752058728
                   +0 :              -0.00004483581533
                   +1 :               0.00003132272778
                   +2 :               0.00004426196315
             10 vec=     5.396061     12.099176      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00006411930539
                2p
                   -1 :              -0.00003437474232
                   +0 :              -0.00000286583956
                   +1 :              -0.00002752538865
                3s
                   +0 :               0.00022139119079
                4s
                   +0 :              -0.00006528594494
                3p
                   -1 :               0.00011100280722
                   +0 :               0.00001169490360
                   +1 :               0.00010749454089
                4p
                   -1 :              -0.00003280005296
                   +0 :               0.00001292634120
                   +1 :              -0.00004635768337
                3d
                   -2 :              -0.00000864912715
                   -1 :               0.00004231046691
                   +0 :               0.00001044684934
                   +1 :              -0.00000860081780
                   +2 :              -0.00002406076326
             11 vec=    13.176224     -1.376461      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00008934849655
                2p
                   -1 :              -0.00000572703529
                   +0 :              -0.00000185376005
                   +1 :              -0.00006746142558
                3s
                   +0 :               0.00036946615949
                4s
                   +0 :              -0.00013833750004
                3p
                   -1 :               0.00007255848195
                   +0 :              -0.00001657124033
                   +1 :               0.00035334297440
                4p
                   -1 :              -0.00002773259804
                   +0 :               0.00000721584719
                   +1 :              -0.00011563089051
                3d
                   -2 :              -0.00001899965276
                   -1 :               0.00003366292128
                   +0 :              -0.00002583017162
                   +1 :              -0.00001599974236
                   +2 :              -0.00000855730364
             12 vec=    -2.384101      7.607297    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00010756364822
                2p
                   -1 :               0.00000648036529
                   +0 :              -0.00001447442214
                   +1 :               0.00001853703919
                3s
                   +0 :              -0.00074021124119
                4s
                   +0 :               0.00015765281762
                3p
                   -1 :              -0.00015906924700
                   +0 :               0.00017992155856
                   +1 :               0.00020953143296
                4p
                   -1 :               0.00003078958773
                   +0 :              -0.00002707364847
                   +1 :               0.00000588858350
                3d
                   -2 :               0.00011558798288
                   -1 :               0.00000953398969
                   +0 :               0.00004949366763
                   +1 :              -0.00004373612596
                   +2 :              -0.00005351590046
             13 vec=     5.396061     -5.868340    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00011298748750
                2p
                   -1 :              -0.00003372582800
                   +0 :              -0.00002653770950
                   +1 :              -0.00001277703063
                3s
                   +0 :              -0.00065947263670
                4s
                   +0 :               0.00019688722561
                3p
                   -1 :               0.00032730827192
                   +0 :               0.00022151588864
                   +1 :               0.00013506396792
                4p
                   -1 :              -0.00005445159928
                   +0 :              -0.00006598405891
                   +1 :              -0.00004120613993
                3d
                   -2 :              -0.00007332901617
                   -1 :              -0.00005465523827
                   +0 :               0.00003212593887
                   +1 :              -0.00005883938000
                   +2 :               0.00005601547948
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site Al( 12)  npairs=  14
              1 vec=    -2.384101     -1.376461      2.510804   |vec|=    3.725953
                2s
                   +0 :               0.02026204477536
                2p
                   -1 :              -0.01063816863760
                   +0 :               0.01875216476439
                   +1 :              -0.02365780679381
                3s
                   +0 :               0.08103506657158
                4s
                   +0 :               0.00603117643559
                3p
                   -1 :              -0.03287465401408
                   +0 :               0.02987179156465
                   +1 :              -0.04365968271404
                4p
                   -1 :              -0.00399977717498
                   +0 :               0.00960556717444
                   +1 :              -0.01304872370439
                3d
                   -2 :               0.03248496850909
                   -1 :              -0.01863546469590
                   +0 :              -0.00922469879606
                   +1 :              -0.03378659142351
                   +2 :               0.02075474017028
              2 vec=     5.396061      3.115418      2.510804   |vec|=    6.717696
                2s
                   +0 :              -0.00215841448538
                2p
                   -1 :              -0.00037320114204
                   +0 :              -0.00052577109161
                   +1 :              -0.00182407606059
                3s
                   +0 :               0.00888784057968
                4s
                   +0 :              -0.00538854346427
                3p
                   -1 :               0.00084858365932
                   +0 :              -0.00000739255539
                   +1 :               0.00743508083543
                4p
                   -1 :              -0.00071345063018
                   +0 :              -0.00157014511943
                   +1 :              -0.00326839053431
                3d
                   -2 :               0.00088516085542
                   -1 :               0.00027835131899
                   +0 :               0.00288053577555
                   +1 :               0.00028854498166
                   +2 :               0.00026682576838
              3 vec=    -2.384101      7.607297      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00064052808016
                2p
                   -1 :               0.00034200235153
                   +0 :               0.00037716597498
                   +1 :              -0.00011641530297
                3s
                   +0 :              -0.00592349299466
                4s
                   +0 :               0.00279234154233
                3p
                   -1 :              -0.00442423232766
                   +0 :              -0.00432678010889
                   +1 :               0.00110612311611
                4p
                   -1 :               0.00153829693228
                   +0 :               0.00118654959377
                   +1 :              -0.00090808687731
                3d
                   -2 :               0.00041948858443
                   -1 :              -0.00124367812782
                   +0 :              -0.00029374363577
                   +1 :               0.00045887925438
                   +2 :               0.00065161049682
              4 vec=     5.396061     -5.868340      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00112560621725
                2p
                   -1 :               0.00001889318409
                   +0 :               0.00016466394538
                   +1 :               0.00037789525083
                3s
                   +0 :              -0.00431217938247
                4s
                   +0 :               0.00213042060104
                3p
                   -1 :               0.00149830174878
                   +0 :              -0.00111633240281
                   +1 :              -0.00207983081720
                4p
                   -1 :              -0.00041929227693
                   +0 :               0.00044157653872
                   +1 :               0.00045637523849
                3d
                   -2 :               0.00011744278750
                   -1 :              -0.00031920080954
                   +0 :              -0.00010165457373
                   +1 :              -0.00043785311396
                   +2 :              -0.00081022089587
              5 vec=   -10.164264      3.115418      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00008277181573
                2p
                   -1 :               0.00000566714772
                   +0 :               0.00006368907643
                   +1 :               0.00008795175531
                3s
                   +0 :               0.00046085382223
                4s
                   +0 :              -0.00037420317199
                3p
                   -1 :               0.00073899685123
                   +0 :              -0.00015970375421
                   +1 :              -0.00104291259238
                4p
                   -1 :              -0.00025405544207
                   +0 :              -0.00004409116009
                   +1 :               0.00036614585217
                3d
                   -2 :              -0.00029932100314
                   -1 :              -0.00008140140107
                   +0 :              -0.00009465305106
                   +1 :              -0.00005036842768
                   +2 :              -0.00006692912112
              6 vec=    -2.384101    -10.360219      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00034798222645
                2p
                   -1 :              -0.00032122235281
                   +0 :              -0.00035503564842
                   +1 :              -0.00006330006177
                3s
                   +0 :               0.00064424923488
                4s
                   +0 :              -0.00014790557395
                3p
                   -1 :               0.00011328815741
                   +0 :               0.00154082923220
                   +1 :               0.00048078673315
                4p
                   -1 :              -0.00014095047790
                   +0 :              -0.00043695695629
                   +1 :               0.00002121734336
                3d
                   -2 :              -0.00034729723932
                   -1 :              -0.00015703438972
                   +0 :               0.00002822035763
                   +1 :              -0.00026289154689
                   +2 :              -0.00012015159830
              7 vec=   -10.164264     -5.868340      2.510804   |vec|=   12.002242
                2s
                   +0 :              -0.00015717505358
                2p
                   -1 :               0.00013557527083
                   +0 :              -0.00008529975850
                   +1 :              -0.00016169994241
                3s
                   +0 :               0.00016903340180
                4s
                   +0 :               0.00038506038213
                3p
                   -1 :              -0.00051183534218
                   +0 :               0.00042909035058
                   +1 :               0.00114356484212
                4p
                   -1 :              -0.00005902994019
                   +0 :              -0.00011820882681
                   +1 :              -0.00055851829269
                3d
                   -2 :               0.00025090414617
                   -1 :              -0.00014499691285
                   +0 :              -0.00000103935045
                   +1 :              -0.00005673425325
                   +2 :              -0.00037108061845
              8 vec=     5.396061     12.099176      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00016576313348
                2p
                   -1 :               0.00000108711563
                   +0 :               0.00007841073764
                   +1 :              -0.00001192146693
                3s
                   +0 :              -0.00072818263807
                4s
                   +0 :               0.00018005124105
                3p
                   -1 :              -0.00011991215499
                   +0 :              -0.00042355830689
                   +1 :               0.00010034415859
                4p
                   -1 :               0.00004055041357
                   +0 :               0.00003846334176
                   +1 :              -0.00004261435128
                3d
                   -2 :               0.00027036464214
                   -1 :              -0.00019668884200
                   +0 :              -0.00005949582804
                   +1 :               0.00006560651942
                   +2 :               0.00000187522194
              9 vec=    13.176224     -1.376461      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00015164303796
                2p
                   -1 :               0.00001589796524
                   +0 :              -0.00008502700513
                   +1 :               0.00004009731868
                3s
                   +0 :              -0.00034417314397
                4s
                   +0 :              -0.00002516951570
                3p
                   -1 :              -0.00006665507979
                   +0 :               0.00032015083950
                   +1 :              -0.00002489204839
                4p
                   -1 :               0.00003709819044
                   +0 :              -0.00005595279263
                   +1 :              -0.00009210624048
                3d
                   -2 :               0.00002467436747
                   -1 :               0.00004173791204
                   +0 :              -0.00000250828300
                   +1 :               0.00006403659605
                   +2 :               0.00002103260987
             10 vec=    13.176224      7.607297      2.510804   |vec|=   15.420376
                2s
                   +0 :              -0.00002794408232
                2p
                   -1 :              -0.00001085812140
                   +0 :               0.00002138473219
                   +1 :              -0.00005253325520
                3s
                   +0 :               0.00006844629822
                4s
                   +0 :              -0.00003042996972
                3p
                   -1 :               0.00005429831284
                   +0 :              -0.00011703711262
                   +1 :               0.00023214921196
                4p
                   -1 :              -0.00000481045495
                   +0 :               0.00001504538130
                   +1 :              -0.00006997519626
                3d
                   -2 :               0.00006236138052
                   -1 :              -0.00002737654892
                   +0 :              -0.00000993008962
                   +1 :              -0.00003921096876
                   +2 :               0.00002573821614
             11 vec=   -10.164264     12.099176      2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00003603029553
                2p
                   -1 :               0.00000072370185
                   +0 :              -0.00001922855028
                   +1 :              -0.00003509379725
                3s
                   +0 :               0.00008870582905
                4s
                   +0 :               0.00000028162010
                3p
                   -1 :               0.00006566052348
                   +0 :              -0.00002557516754
                   +1 :               0.00001511595877
                4p
                   -1 :              -0.00002692723086
                   +0 :              -0.00000786959793
                   +1 :              -0.00002225677334
                3d
                   -2 :              -0.00000495866911
                   -1 :              -0.00003085173590
                   +0 :               0.00001866856915
                   +1 :               0.00001940545998
                   +2 :               0.00002843942184
             12 vec=     5.396061    -14.852098      2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00004673947246
                2p
                   -1 :               0.00004405547005
                   +0 :               0.00004108890995
                   +1 :               0.00005408619708
                3s
                   +0 :               0.00033752780760
                4s
                   +0 :              -0.00009956211578
                3p
                   -1 :              -0.00034294843563
                   +0 :              -0.00026693573321
                   +1 :              -0.00035529952739
                4p
                   -1 :               0.00008445786951
                   +0 :               0.00002948600729
                   +1 :               0.00007830370326
                3d
                   -2 :               0.00004112121869
                   -1 :               0.00006919190698
                   +0 :               0.00001034616467
                   +1 :               0.00001587201424
                   +2 :              -0.00005522584473
             13 vec=    -2.384101     16.591055      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00000848851070
                2p
                   -1 :               0.00001306178750
                   +0 :               0.00000514371354
                   +1 :               0.00002089668791
                3s
                   +0 :              -0.00006005720138
                4s
                   +0 :               0.00001837764644
                3p
                   -1 :              -0.00006225204184
                   +0 :              -0.00005019998998
                   +1 :              -0.00011931938065
                4p
                   -1 :               0.00000890993897
                   +0 :               0.00000470115332
                   +1 :               0.00004472821957
                3d
                   -2 :              -0.00003610939660
                   -1 :               0.00000899580446
                   +0 :              -0.00001534333427
                   +1 :              -0.00001283441769
                   +2 :              -0.00000110495037
             14 vec=    13.176224    -10.360219      2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00000936187800
                2p
                   -1 :              -0.00001356050304
                   +0 :              -0.00001065497714
                   +1 :              -0.00000066255865
                3s
                   +0 :               0.00004452134613
                4s
                   +0 :               0.00000650462594
                3p
                   -1 :               0.00006294356722
                   +0 :              -0.00000704214593
                   +1 :              -0.00001842516594
                4p
                   -1 :              -0.00001099251490
                   +0 :               0.00001639693581
                   +1 :               0.00001444504387
                3d
                   -2 :               0.00001979083071
                   -1 :               0.00000020323562
                   +0 :               0.00000959770988
                   +1 :               0.00000194387312
                   +2 :               0.00002080735947
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 13)  npairs=  14
              1 vec=    -2.593647      1.739106     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00162265379387
                2s
                   +0 :              -0.05298609055839
                3s
                   +0 :               0.00250562032647
                2p
                   -1 :              -0.01296359504168
                   +0 :               0.02802058691381
                   +1 :               0.02687317793685
                3p
                   -1 :              -0.00420937534664
                   +0 :               0.00237714314749
                   +1 :              -0.00221179560040
                3d
                   -2 :               0.00071769903125
                   -1 :               0.00092549021488
                   +0 :              -0.00132275363363
                   +1 :              -0.00238868151268
                   +2 :              -0.00033337737517
              2 vec=     5.186516     -2.752773     -4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00023490915620
                2s
                   +0 :               0.00183232949997
                3s
                   +0 :              -0.00103914514678
                2p
                   -1 :               0.00048156795196
                   +0 :               0.00259910485545
                   +1 :               0.00160285372509
                3p
                   -1 :               0.00004328838610
                   +0 :              -0.00193445346464
                   +1 :              -0.00208752428169
                3d
                   -2 :               0.00001021166087
                   -1 :               0.00017353458180
                   +0 :               0.00032273556917
                   +1 :              -0.00021895498489
                   +2 :              -0.00005125268741
              3 vec=    -2.593647     -7.244652     -4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00024152709013
                2s
                   +0 :               0.00240927810486
                3s
                   +0 :              -0.00097014707061
                2p
                   -1 :              -0.00195018467802
                   +0 :              -0.00329443135070
                   +1 :               0.00243884725298
                3p
                   -1 :               0.00146111528493
                   +0 :               0.00047878906437
                   +1 :              -0.00091369018446
                3d
                   -2 :              -0.00007863552821
                   -1 :               0.00007327332349
                   +0 :               0.00004809813369
                   +1 :               0.00017988825763
                   +2 :               0.00001929944893
              4 vec=     5.186516      6.230985     -4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00011208114455
                2s
                   +0 :               0.00034956408141
                3s
                   +0 :              -0.00058722244307
                2p
                   -1 :              -0.00181539278609
                   +0 :              -0.00097055424591
                   +1 :              -0.00228191393053
                3p
                   -1 :               0.00026210735288
                   +0 :              -0.00021950922586
                   +1 :               0.00193524111342
                3d
                   -2 :               0.00000630894923
                   -1 :              -0.00015189446296
                   +0 :              -0.00001842590229
                   +1 :              -0.00009907569231
                   +2 :               0.00014965726606
              5 vec=   -10.373810     -2.752773     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00022277998020
                2s
                   +0 :               0.00117224781036
                3s
                   +0 :              -0.00080195474136
                2p
                   -1 :               0.00043345400306
                   +0 :               0.00063510883399
                   +1 :              -0.00113479480172
                3p
                   -1 :              -0.00032910115103
                   +0 :              -0.00059408339462
                   +1 :               0.00115642211853
                3d
                   -2 :               0.00004282464616
                   -1 :              -0.00000316066401
                   +0 :               0.00004033874101
                   +1 :               0.00002632124226
                   +2 :              -0.00006499091559
              6 vec=    -2.593647     10.722864     -4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00000848600779
                2s
                   +0 :              -0.00023483206774
                3s
                   +0 :              -0.00014266915071
                2p
                   -1 :              -0.00035025265182
                   +0 :              -0.00010428636695
                   +1 :               0.00008827818105
                3p
                   -1 :               0.00002196459408
                   +0 :               0.00006269848727
                   +1 :              -0.00010201771281
                3d
                   -2 :               0.00000310208271
                   -1 :               0.00000106754769
                   +0 :               0.00002477611277
                   +1 :              -0.00000028421555
                   +2 :               0.00001005324891
              7 vec=   -10.373810      6.230985     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00002676045315
                2s
                   +0 :               0.00007721299547
                3s
                   +0 :              -0.00013393932019
                2p
                   -1 :               0.00023622458008
                   +0 :               0.00016007051862
                   +1 :               0.00002085186286
                3p
                   -1 :              -0.00019387586091
                   +0 :               0.00009732747205
                   +1 :               0.00015653933393
                3d
                   -2 :               0.00000742261917
                   -1 :              -0.00001668593970
                   +0 :               0.00005015502048
                   +1 :              -0.00001819607185
                   +2 :               0.00000088632143
              8 vec=     5.186516    -11.736531     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00003946722834
                2s
                   +0 :              -0.00052523578949
                3s
                   +0 :               0.00008508974028
                2p
                   -1 :               0.00050657448636
                   +0 :              -0.00003161402812
                   +1 :              -0.00027449465152
                3p
                   -1 :              -0.00017043049995
                   +0 :               0.00002935115214
                   +1 :               0.00006703081710
                3d
                   -2 :              -0.00000971430720
                   -1 :              -0.00001689141166
                   +0 :               0.00000852450586
                   +1 :               0.00001374624427
                   +2 :               0.00002875561086
              9 vec=    12.966678      1.739106     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00001685178386
                2s
                   +0 :              -0.00011615170099
                3s
                   +0 :              -0.00010162869419
                2p
                   -1 :               0.00003454940167
                   +0 :               0.00007344531124
                   +1 :              -0.00045216623045
                3p
                   -1 :               0.00002125595758
                   +0 :              -0.00004212177624
                   +1 :               0.00015789602205
                3d
                   -2 :              -0.00000390371208
                   -1 :              -0.00001017340902
                   +0 :               0.00000257948178
                   +1 :              -0.00000935196042
                   +2 :              -0.00000967588105
             10 vec=    12.966678     -7.244652     -4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00004875045168
                2s
                   +0 :               0.00031577375959
                3s
                   +0 :              -0.00010076426263
                2p
                   -1 :              -0.00005455962165
                   +0 :               0.00001384595329
                   +1 :               0.00008377965222
                3p
                   -1 :               0.00003422757458
                   +0 :               0.00004015920147
                   +1 :              -0.00001282276697
                3d
                   -2 :              -0.00000237555264
                   -1 :              -0.00001325601807
                   +0 :               0.00000065923496
                   +1 :               0.00001582379940
                   +2 :               0.00000589613801
             11 vec=   -10.373810    -11.736531     -4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000461915347
                2s
                   +0 :               0.00003654295730
                3s
                   +0 :              -0.00005997148962
                2p
                   -1 :              -0.00025946670965
                   +0 :              -0.00005719116324
                   +1 :               0.00001156597699
                3p
                   -1 :               0.00026858948252
                   +0 :               0.00002666433131
                   +1 :              -0.00001118898109
                3d
                   -2 :              -0.00002144097948
                   -1 :              -0.00000110990257
                   +0 :               0.00000544438921
                   +1 :              -0.00000793684812
                   +2 :               0.00002068921222
             12 vec=     5.186516     15.214743     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00000329737428
                2s
                   +0 :              -0.00000054528487
                3s
                   +0 :              -0.00002202388192
                2p
                   -1 :               0.00014309560740
                   +0 :              -0.00007432483927
                   +1 :              -0.00001264822758
                3p
                   -1 :              -0.00013653611891
                   +0 :               0.00004233215250
                   +1 :              -0.00000931541248
                3d
                   -2 :              -0.00000291925966
                   -1 :               0.00000222449302
                   +0 :               0.00000478805787
                   +1 :               0.00000037249684
                   +2 :               0.00000513376646
             13 vec=    -2.593647    -16.228410     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00001897666243
                2s
                   +0 :              -0.00012808982580
                3s
                   +0 :               0.00006197771206
                2p
                   -1 :               0.00003846063260
                   +0 :               0.00001000699918
                   +1 :              -0.00008143883993
                3p
                   -1 :              -0.00000777070438
                   +0 :              -0.00003775066634
                   +1 :               0.00006120575962
                3d
                   -2 :              -0.00000575807556
                   -1 :               0.00000705633826
                   +0 :               0.00000377615706
                   +1 :              -0.00000760710798
                   +2 :              -0.00000569589191
             14 vec=    12.966678     10.722864     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000135497632
                2s
                   +0 :              -0.00003927826320
                3s
                   +0 :              -0.00000354141767
                2p
                   -1 :               0.00006192809407
                   +0 :              -0.00008197406430
                   +1 :              -0.00008703136660
                3p
                   -1 :              -0.00005453310413
                   +0 :               0.00004280878009
                   +1 :               0.00004296081011
                3d
                   -2 :              -0.00000433561233
                   -1 :               0.00000155324669
                   +0 :              -0.00000282238844
                   +1 :              -0.00000114225958
                   +2 :               0.00000005254480
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 14)  npairs=  14
              1 vec=     0.418832     -2.752773     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00235812161420
                2s
                   +0 :              -0.07957538582217
                3s
                   +0 :               0.00410532144898
                2p
                   -1 :               0.03535117543865
                   +0 :               0.04526649002748
                   +1 :              -0.00810948278909
                3p
                   -1 :              -0.00389659146584
                   +0 :              -0.00626339377930
                   +1 :               0.00096670443090
                3d
                   -2 :               0.00067875094556
                   -1 :              -0.00151103746621
                   +0 :              -0.00081356008454
                   +1 :               0.00021661623998
                   +2 :               0.00203461370319
              2 vec=     0.418832      6.230985     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00038854105012
                2s
                   +0 :              -0.00297684351056
                3s
                   +0 :               0.00143873394740
                2p
                   -1 :              -0.00319750204072
                   +0 :               0.00190747211562
                   +1 :               0.00157481949686
                3p
                   -1 :               0.00156437976207
                   +0 :              -0.00083671201830
                   +1 :              -0.00155356865951
                3d
                   -2 :               0.00009464992669
                   -1 :              -0.00012489937674
                   +0 :              -0.00040300313450
                   +1 :               0.00004822130547
                   +2 :              -0.00023447993648
              3 vec=    -7.361331      1.739106     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00035786213273
                2s
                   +0 :              -0.00190240757267
                3s
                   +0 :               0.00099491836676
                2p
                   -1 :               0.00055208089536
                   +0 :              -0.00359306683496
                   +1 :               0.00229783358387
                3p
                   -1 :               0.00100968447145
                   +0 :               0.00080086795780
                   +1 :              -0.00169930273210
                3d
                   -2 :              -0.00022077868718
                   -1 :              -0.00003800744367
                   +0 :              -0.00004815737623
                   +1 :               0.00027930766136
                   +2 :              -0.00002006946852
              4 vec=     8.198995      1.739106     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00024297680860
                2s
                   +0 :              -0.00168550394612
                3s
                   +0 :               0.00052354556408
                2p
                   -1 :              -0.00017672757721
                   +0 :               0.00006286663588
                   +1 :              -0.00234439016810
                3p
                   -1 :               0.00063504441328
                   +0 :              -0.00109012369868
                   +1 :               0.00065686977206
                3d
                   -2 :               0.00003875109005
                   -1 :              -0.00002123163196
                   +0 :              -0.00001499703646
                   +1 :              -0.00014159090200
                   +2 :              -0.00006605267774
              5 vec=    -7.361331     -7.244652     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00015953155625
                2s
                   +0 :               0.00060679467953
                3s
                   +0 :              -0.00028564463766
                2p
                   -1 :               0.00136923581595
                   +0 :               0.00042248211349
                   +1 :               0.00012088807749
                3p
                   -1 :              -0.00119037694483
                   +0 :              -0.00058388900299
                   +1 :              -0.00016414449296
                3d
                   -2 :               0.00012361430224
                   -1 :               0.00002846728314
                   +0 :              -0.00003581950504
                   +1 :              -0.00004181981167
                   +2 :              -0.00006986754005
              6 vec=     8.198995     -7.244652     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00007136929188
                2s
                   +0 :              -0.00039448864570
                3s
                   +0 :               0.00010982324986
                2p
                   -1 :               0.00020526348972
                   +0 :               0.00023545519663
                   +1 :              -0.00068943711062
                3p
                   -1 :              -0.00023586326300
                   +0 :              -0.00031427623609
                   +1 :               0.00063448761779
                3d
                   -2 :              -0.00002214437531
                   -1 :              -0.00001456883258
                   +0 :               0.00000177270551
                   +1 :               0.00002941334740
                   +2 :              -0.00001058152884
              7 vec=     0.418832    -11.736531     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001944195752
                2s
                   +0 :              -0.00028972470545
                3s
                   +0 :               0.00004892369099
                2p
                   -1 :               0.00027364944878
                   +0 :               0.00006822824175
                   +1 :               0.00033928229314
                3p
                   -1 :              -0.00024064904489
                   +0 :               0.00004054404202
                   +1 :              -0.00013726935389
                3d
                   -2 :              -0.00000918582829
                   -1 :               0.00000932101094
                   +0 :              -0.00001578794189
                   +1 :              -0.00000500504643
                   +2 :              -0.00001269845318
              8 vec=    -7.361331     10.722864     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00001534538109
                2s
                   +0 :              -0.00010222913635
                3s
                   +0 :              -0.00020155716887
                2p
                   -1 :              -0.00022319544699
                   +0 :               0.00010698009585
                   +1 :              -0.00026768161388
                3p
                   -1 :              -0.00016244227018
                   +0 :               0.00007885442608
                   +1 :               0.00044032770493
                3d
                   -2 :               0.00004896400928
                   -1 :               0.00002140703000
                   +0 :               0.00000920313914
                   +1 :              -0.00001940483884
                   +2 :               0.00001196941121
              9 vec=     8.198995     10.722864     -4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00001627320530
                2s
                   +0 :              -0.00021672406569
                3s
                   +0 :              -0.00001370166163
                2p
                   -1 :              -0.00011727422621
                   +0 :               0.00002179927303
                   +1 :               0.00008188487365
                3p
                   -1 :              -0.00010312089830
                   +0 :              -0.00000460860338
                   +1 :              -0.00020780265646
                3d
                   -2 :              -0.00002517324436
                   -1 :               0.00001377219741
                   +0 :               0.00002851795903
                   +1 :              -0.00000784058675
                   +2 :               0.00000976477870
             10 vec=     0.418832     15.214743     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000164780171
                2s
                   +0 :              -0.00008147245683
                3s
                   +0 :              -0.00000909711174
                2p
                   -1 :              -0.00005898111976
                   +0 :               0.00001635940571
                   +1 :               0.00003014508998
                3p
                   -1 :              -0.00003447954920
                   +0 :              -0.00001313343404
                   +1 :              -0.00007050576277
                3d
                   -2 :              -0.00000564772827
                   -1 :              -0.00000439410524
                   +0 :              -0.00000013468826
                   +1 :              -0.00000112390733
                   +2 :              -0.00000109478397
             11 vec=   -15.141493     -2.752773     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00006210710480
                2s
                   +0 :              -0.00039338666459
                3s
                   +0 :               0.00016745725072
                2p
                   -1 :               0.00001706926058
                   +0 :               0.00016895757644
                   +1 :               0.00013667810047
                3p
                   -1 :              -0.00000479665512
                   +0 :              -0.00014820856705
                   +1 :              -0.00007052960535
                3d
                   -2 :              -0.00000322550505
                   -1 :              -0.00000071705106
                   +0 :               0.00001315469054
                   +1 :               0.00002356498083
                   +2 :               0.00000613033068
             12 vec=    15.979157     -2.752773     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00002710861462
                2s
                   +0 :               0.00017382527652
                3s
                   +0 :              -0.00009248225319
                2p
                   -1 :               0.00001371954939
                   +0 :              -0.00007827103152
                   +1 :               0.00006732221860
                3p
                   -1 :               0.00000849918157
                   +0 :               0.00004595929288
                   +1 :              -0.00004705866217
                3d
                   -2 :              -0.00000376299889
                   -1 :              -0.00000279328872
                   +0 :               0.00000072710408
                   +1 :               0.00000247677929
                   +2 :              -0.00000279865726
             13 vec=   -15.141493      6.230985     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000404488718
                2s
                   +0 :               0.00004811324551
                3s
                   +0 :              -0.00001558407855
                2p
                   -1 :              -0.00001993507502
                   +0 :               0.00001831828718
                   +1 :              -0.00004998439371
                3p
                   -1 :              -0.00000245471174
                   +0 :               0.00001171903822
                   +1 :               0.00006024729716
                3d
                   -2 :               0.00000549006350
                   -1 :               0.00000351380934
                   +0 :              -0.00000032942232
                   +1 :              -0.00000587353339
                   +2 :              -0.00000318237077
             14 vec=    15.979157      6.230985     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000639816037
                2s
                   +0 :              -0.00004700930370
                3s
                   +0 :               0.00001262994916
                2p
                   -1 :              -0.00002731658978
                   +0 :              -0.00000847362679
                   +1 :              -0.00003692930976
                3p
                   -1 :               0.00001252675457
                   +0 :               0.00000152786909
                   +1 :               0.00002287959486
                3d
                   -2 :              -0.00000151678995
                   -1 :               0.00000065430212
                   +0 :               0.00000063395588
                   +1 :              -0.00000027700417
                   +2 :               0.00000593316711
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 15)  npairs=  14
              1 vec=     2.802674      1.376162     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00229347022748
                2s
                   +0 :              -0.05256942245259
                3s
                   +0 :               0.00336944980070
                2p
                   -1 :              -0.00688484512364
                   +0 :               0.02622021449024
                   +1 :              -0.02422913459013
                3p
                   -1 :              -0.00286498424706
                   +0 :              -0.00086608877637
                   +1 :               0.00275876260943
                3d
                   -2 :              -0.00080342877056
                   -1 :               0.00067520566612
                   +0 :              -0.00084781268278
                   +1 :               0.00277795469257
                   +2 :              -0.00097458998646
              2 vec=    -4.977489     -3.115717     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00222693022396
                2s
                   +0 :              -0.01578475392246
                3s
                   +0 :               0.00741603447339
                2p
                   -1 :               0.00930789775632
                   +0 :               0.00631641596576
                   +1 :               0.01228219720257
                3p
                   -1 :              -0.00626213715653
                   +0 :              -0.00497471990200
                   +1 :              -0.00898720568072
                3d
                   -2 :               0.00074132652794
                   -1 :               0.00029171172346
                   +0 :              -0.00038829985652
                   +1 :               0.00049764953615
                   +2 :               0.00031634175933
              3 vec=    -4.977489      5.868041     -4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00014949641529
                2s
                   +0 :              -0.00125300099620
                3s
                   +0 :              -0.00007259445128
                2p
                   -1 :              -0.00374805465345
                   +0 :              -0.00217527640276
                   +1 :               0.00064852286431
                3p
                   -1 :               0.00169203555395
                   +0 :               0.00035938883687
                   +1 :              -0.00023057596177
                3d
                   -2 :               0.00000425309162
                   -1 :              -0.00014742869722
                   +0 :               0.00001667446834
                   +1 :               0.00008616104107
                   +2 :               0.00001268107222
              4 vec=     2.802674     -7.607596     -4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00009430746504
                2s
                   +0 :              -0.00067375004607
                3s
                   +0 :              -0.00000360003980
                2p
                   -1 :               0.00088293673599
                   +0 :              -0.00222800513267
                   +1 :              -0.00220595242834
                3p
                   -1 :               0.00099484601539
                   +0 :               0.00069221386363
                   +1 :               0.00045019798582
                3d
                   -2 :               0.00011212600863
                   -1 :               0.00006459483067
                   +0 :               0.00012434908073
                   +1 :              -0.00001173123106
                   +2 :               0.00015291719382
              5 vec=     2.802674     10.359920     -4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00007486075560
                2s
                   +0 :              -0.00079091825704
                3s
                   +0 :               0.00028636825314
                2p
                   -1 :              -0.00037399213740
                   +0 :              -0.00033539916199
                   +1 :              -0.00065990901283
                3p
                   -1 :               0.00020365193376
                   +0 :               0.00023061617159
                   +1 :               0.00062143668455
                3d
                   -2 :               0.00005790356450
                   -1 :               0.00000299619611
                   +0 :              -0.00003165355622
                   +1 :              -0.00004529300731
                   +2 :              -0.00002585771878
              6 vec=    10.582837     -3.115717     -4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00010817424635
                2s
                   +0 :              -0.00066992096727
                3s
                   +0 :               0.00034262169398
                2p
                   -1 :               0.00081581361980
                   +0 :              -0.00037711041535
                   +1 :              -0.00055962452702
                3p
                   -1 :              -0.00069860831827
                   +0 :               0.00020867250091
                   +1 :               0.00055522240488
                3d
                   -2 :              -0.00004040663557
                   -1 :               0.00001456683775
                   +0 :              -0.00004269716819
                   +1 :              -0.00000328893713
                   +2 :               0.00007040604845
              7 vec=    10.582837      5.868041     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00000803764522
                2s
                   +0 :              -0.00019397606918
                3s
                   +0 :               0.00001907527293
                2p
                   -1 :              -0.00001948580909
                   +0 :               0.00020778284191
                   +1 :               0.00011051907376
                3p
                   -1 :              -0.00004158903348
                   +0 :              -0.00007267542650
                   +1 :              -0.00016112954796
                3d
                   -2 :               0.00003556854609
                   -1 :              -0.00001874259750
                   +0 :               0.00000078704477
                   +1 :              -0.00001007225030
                   +2 :              -0.00001272550330
              8 vec=   -12.757651      1.376162     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00002872978234
                2s
                   +0 :              -0.00040940869910
                3s
                   +0 :              -0.00003117515681
                2p
                   -1 :              -0.00009079502850
                   +0 :               0.00019943086891
                   +1 :               0.00012321585395
                3p
                   -1 :               0.00002866004468
                   +0 :              -0.00008020425699
                   +1 :               0.00017953349778
                3d
                   -2 :               0.00000400750482
                   -1 :               0.00000206700927
                   +0 :               0.00002212942946
                   +1 :               0.00000837191281
                   +2 :              -0.00004505054655
              9 vec=    -4.977489    -12.099475     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00001064220684
                2s
                   +0 :              -0.00002456859618
                3s
                   +0 :              -0.00005252105858
                2p
                   -1 :               0.00007409214984
                   +0 :              -0.00019547572573
                   +1 :              -0.00016715691869
                3p
                   -1 :               0.00004472954458
                   +0 :               0.00017061868810
                   +1 :               0.00016509970484
                3d
                   -2 :               0.00001391924939
                   -1 :              -0.00000151243241
                   +0 :               0.00001214215433
                   +1 :              -0.00000292620276
                   +2 :               0.00000133657108
             10 vec=   -12.757651     -7.607596     -4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00003912452676
                2s
                   +0 :              -0.00026139071827
                3s
                   +0 :               0.00005558663502
                2p
                   -1 :               0.00022925608639
                   +0 :               0.00008851793530
                   +1 :               0.00013073372193
                3p
                   -1 :              -0.00012048478687
                   +0 :              -0.00009122421404
                   +1 :              -0.00006420874668
                3d
                   -2 :              -0.00001252690564
                   -1 :               0.00000608980983
                   +0 :               0.00000454946458
                   +1 :               0.00000616559253
                   +2 :               0.00000234301974
             11 vec=    -4.977489     14.851799     -4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00000449904786
                2s
                   +0 :              -0.00003602632923
                3s
                   +0 :              -0.00002247658051
                2p
                   -1 :               0.00004459082544
                   +0 :               0.00000816717924
                   +1 :               0.00002431263743
                3p
                   -1 :              -0.00008279542194
                   +0 :              -0.00000363009418
                   +1 :              -0.00000590514161
                3d
                   -2 :              -0.00000619453144
                   -1 :               0.00000497955351
                   +0 :               0.00001224660868
                   +1 :               0.00000418802040
                   +2 :               0.00000093879745
             12 vec=    10.582837    -12.099475     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00001428062415
                2s
                   +0 :               0.00009160493637
                3s
                   +0 :              -0.00004604342161
                2p
                   -1 :              -0.00015405118137
                   +0 :               0.00002232442889
                   +1 :               0.00002576738174
                3p
                   -1 :               0.00011618740091
                   +0 :              -0.00005414182796
                   +1 :              -0.00002049436098
                3d
                   -2 :               0.00000327098157
                   -1 :               0.00000015000819
                   +0 :               0.00000551230581
                   +1 :              -0.00000228053965
                   +2 :               0.00000558328711
             13 vec=   -12.757651     10.359920     -4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000933120623
                2s
                   +0 :               0.00009210191237
                3s
                   +0 :              -0.00000618105387
                2p
                   -1 :               0.00002558020766
                   +0 :              -0.00002946781075
                   +1 :              -0.00001300533220
                3p
                   -1 :              -0.00001346368305
                   +0 :               0.00007988694051
                   +1 :              -0.00001123643353
                3d
                   -2 :               0.00000001427490
                   -1 :              -0.00000747240181
                   +0 :               0.00000010499723
                   +1 :              -0.00001148404428
                   +2 :               0.00000573977726
             14 vec=     2.802674    -16.591354     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000190232152
                2s
                   +0 :               0.00001381901927
                3s
                   +0 :              -0.00000654248263
                2p
                   -1 :              -0.00000274248763
                   +0 :               0.00001743112502
                   +1 :               0.00006050929100
                3p
                   -1 :               0.00000163573034
                   +0 :              -0.00003827489867
                   +1 :              -0.00002425234746
                3d
                   -2 :               0.00000038439922
                   -1 :              -0.00000054228717
                   +0 :               0.00000446824675
                   +1 :               0.00000065368462
                   +2 :               0.00000018776440
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 16)  npairs=  14
              1 vec=     0.418832     -0.000150      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00034580791639
                2s
                   +0 :               0.00038832924993
                3s
                   +0 :              -0.00127673453330
                2p
                   -1 :              -0.00227459774712
                   +0 :               0.00391642102774
                   +1 :               0.00059690464196
                3p
                   -1 :               0.00125931222746
                   +0 :              -0.00371588699579
                   +1 :              -0.00045113330692
                3d
                   -2 :              -0.00009599743682
                   -1 :              -0.00013844532642
                   +0 :              -0.00075849048582
                   +1 :               0.00001969502719
                   +2 :               0.00007065502299
              2 vec=    -7.361331      4.491729      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00005563099603
                2s
                   +0 :              -0.00015132901661
                3s
                   +0 :               0.00015394187426
                2p
                   -1 :               0.00002604584534
                   +0 :               0.00052411238695
                   +1 :              -0.00061217752845
                3p
                   -1 :               0.00007798626214
                   +0 :              -0.00039057011628
                   +1 :               0.00036900760943
                3d
                   -2 :              -0.00000419147031
                   -1 :               0.00003029798172
                   +0 :              -0.00004243955649
                   +1 :               0.00003418009297
                   +2 :              -0.00004837742107
              3 vec=    -7.361331     -4.492029      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00024271257936
                2s
                   +0 :              -0.00100430076765
                3s
                   +0 :               0.00083453999191
                2p
                   -1 :              -0.00022417432436
                   +0 :              -0.00122868358048
                   +1 :              -0.00159453847187
                3p
                   -1 :              -0.00003427098423
                   +0 :               0.00094382110459
                   +1 :               0.00094708005698
                3d
                   -2 :              -0.00004441227629
                   -1 :               0.00004222129445
                   +0 :               0.00004905693870
                   +1 :               0.00001451619294
                   +2 :              -0.00001958132574
              4 vec=     0.418832      8.983608      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00002738364372
                2s
                   +0 :               0.00034577011531
                3s
                   +0 :               0.00015424750908
                2p
                   -1 :               0.00017282385592
                   +0 :              -0.00051268409684
                   +1 :               0.00007313195827
                3p
                   -1 :               0.00025271687962
                   +0 :               0.00012780425185
                   +1 :              -0.00005449222498
                3d
                   -2 :              -0.00001288410397
                   -1 :               0.00001892856667
                   +0 :              -0.00004243492701
                   +1 :              -0.00001191825949
                   +2 :              -0.00002652856790
              5 vec=     0.418832     -8.983908      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00007072537954
                2s
                   +0 :               0.00053944037505
                3s
                   +0 :              -0.00028131686802
                2p
                   -1 :              -0.00085718807723
                   +0 :              -0.00012727059713
                   +1 :               0.00034570212623
                3p
                   -1 :               0.00037820931020
                   +0 :               0.00005380578528
                   +1 :              -0.00031837986280
                3d
                   -2 :              -0.00000702763690
                   -1 :               0.00001567736769
                   +0 :               0.00002389018456
                   +1 :              -0.00000601178512
                   +2 :               0.00003610784070
              6 vec=     8.198995      4.491729      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00002457579446
                2s
                   +0 :               0.00027227381922
                3s
                   +0 :              -0.00005015629863
                2p
                   -1 :               0.00069151368893
                   +0 :              -0.00038633803945
                   +1 :               0.00054643366990
                3p
                   -1 :              -0.00046302936498
                   +0 :               0.00043839450458
                   +1 :              -0.00022932446445
                3d
                   -2 :              -0.00003409576452
                   -1 :               0.00002055478548
                   +0 :               0.00006260204634
                   +1 :               0.00000610546334
                   +2 :              -0.00001787770654
              7 vec=     8.198995     -4.492029      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00001420857464
                2s
                   +0 :               0.00061561400044
                3s
                   +0 :              -0.00004448919670
                2p
                   -1 :              -0.00049776074193
                   +0 :               0.00062561590796
                   +1 :               0.00075209859007
                3p
                   -1 :               0.00027287567823
                   +0 :              -0.00059946451805
                   +1 :              -0.00026202143703
                3d
                   -2 :               0.00000244674568
                   -1 :               0.00000383286377
                   +0 :              -0.00001228791235
                   +1 :              -0.00000676188344
                   +2 :               0.00003807011877
              8 vec=     0.418832     -0.000150    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00001944930838
                2s
                   +0 :               0.00009780979215
                3s
                   +0 :              -0.00008882289836
                2p
                   -1 :               0.00011268607910
                   +0 :              -0.00002178789930
                   +1 :              -0.00009523201553
                3p
                   -1 :              -0.00011970125760
                   +0 :               0.00007508545707
                   +1 :               0.00005175209830
                3d
                   -2 :              -0.00000144157212
                   -1 :               0.00000453061623
                   +0 :              -0.00000402974512
                   +1 :              -0.00000181517870
                   +2 :              -0.00000220231938
              9 vec=   -15.141493     -0.000150      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00001006737596
                2s
                   +0 :              -0.00007351322845
                3s
                   +0 :               0.00005974363241
                2p
                   -1 :              -0.00003032880256
                   +0 :               0.00005857505050
                   +1 :              -0.00005467625111
                3p
                   -1 :               0.00004005407739
                   +0 :              -0.00004315805403
                   +1 :               0.00000536152051
                3d
                   -2 :              -0.00000350807227
                   -1 :               0.00000484186688
                   +0 :              -0.00000779880896
                   +1 :               0.00000438596696
                   +2 :               0.00000389148239
             10 vec=    -7.361331     13.475487      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00001105977059
                2s
                   +0 :               0.00009193504456
                3s
                   +0 :              -0.00002206817101
                2p
                   -1 :               0.00011012374000
                   +0 :               0.00001122292218
                   +1 :              -0.00009054135954
                3p
                   -1 :              -0.00002798055178
                   +0 :               0.00002017757556
                   +1 :               0.00005283937306
                3d
                   -2 :               0.00000113401202
                   -1 :               0.00000175053847
                   +0 :               0.00000074002276
                   +1 :              -0.00000035994221
                   +2 :              -0.00000456578006
             11 vec=    -7.361331    -13.475787      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000645617242
                2s
                   +0 :               0.00007498378485
                3s
                   +0 :              -0.00000831948290
                2p
                   -1 :               0.00005444473844
                   +0 :               0.00002602102818
                   +1 :              -0.00008750835457
                3p
                   -1 :              -0.00007848248751
                   +0 :               0.00001229757192
                   +1 :               0.00004395165881
                3d
                   -2 :               0.00000240963923
                   -1 :              -0.00000526538200
                   +0 :              -0.00000511222869
                   +1 :              -0.00000422961076
                   +2 :              -0.00000516790349
             12 vec=     8.198995     13.475487      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000042772069
                2s
                   +0 :               0.00003651533217
                3s
                   +0 :               0.00001999531164
                2p
                   -1 :               0.00003536931938
                   +0 :               0.00003449504961
                   +1 :               0.00000686164942
                3p
                   -1 :               0.00002852909433
                   +0 :               0.00000735014026
                   +1 :               0.00001357696226
                3d
                   -2 :               0.00000098500135
                   -1 :               0.00000843474273
                   +0 :               0.00000327079213
                   +1 :              -0.00000064175119
                   +2 :              -0.00000617078619
             13 vec=     8.198995    -13.475787      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001493212187
                2s
                   +0 :               0.00011362990880
                3s
                   +0 :              -0.00002353779271
                2p
                   -1 :              -0.00001723713760
                   +0 :               0.00001982575897
                   +1 :              -0.00000950623551
                3p
                   -1 :               0.00000140580575
                   +0 :               0.00002826034745
                   +1 :               0.00004571731534
                3d
                   -2 :              -0.00000161523528
                   -1 :               0.00000122030317
                   +0 :               0.00000188856348
                   +1 :               0.00000178768774
                   +2 :               0.00000084213828
             14 vec=    15.979157     -0.000150      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00000320945258
                2s
                   +0 :               0.00000826577513
                3s
                   +0 :               0.00001200475215
                2p
                   -1 :              -0.00003198777544
                   +0 :               0.00004805551526
                   +1 :              -0.00001056004057
                3p
                   -1 :               0.00002185982624
                   +0 :              -0.00003604648169
                   +1 :               0.00003288341578
                3d
                   -2 :              -0.00000298224832
                   -1 :               0.00000256986395
                   +0 :              -0.00000154329137
                   +1 :              -0.00000174266418
                   +2 :              -0.00000229007622
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 17)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00018237536482
                2s
                   +0 :               0.00157206202437
                3s
                   +0 :               0.00012936045236
                2p
                   -1 :              -0.00210092356006
                   +0 :               0.00057873719615
                   +1 :              -0.00071950200727
                3p
                   -1 :               0.00052429810267
                   +0 :               0.00102656392725
                   +1 :               0.00158254470957
                3d
                   -2 :              -0.00004526678593
                   -1 :              -0.00015066178649
                   +0 :               0.00004547736967
                   +1 :               0.00018620755026
                   +2 :              -0.00000043516624
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00057524696154
                2s
                   +0 :               0.00558155082045
                3s
                   +0 :              -0.00087314336739
                2p
                   -1 :               0.00439585292170
                   +0 :               0.00742318777077
                   +1 :               0.00071021683979
                3p
                   -1 :              -0.00075451483883
                   +0 :              -0.00137955403462
                   +1 :              -0.00041374933244
                3d
                   -2 :               0.00005740812109
                   -1 :               0.00030358255443
                   +0 :               0.00019069320001
                   +1 :              -0.00001461957056
                   +2 :              -0.00018431844674
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00033358840462
                2s
                   +0 :               0.00331081257155
                3s
                   +0 :              -0.00056086979681
                2p
                   -1 :              -0.00008943773924
                   +0 :               0.00245622532313
                   +1 :              -0.00248717196051
                3p
                   -1 :              -0.00008473470079
                   +0 :              -0.00050550367016
                   +1 :              -0.00016709926334
                3d
                   -2 :               0.00003388977753
                   -1 :              -0.00002347030231
                   +0 :               0.00000073160460
                   +1 :              -0.00018745023724
                   +2 :               0.00010652309402
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001337179998
                2s
                   +0 :               0.00040891675665
                3s
                   +0 :              -0.00004633457227
                2p
                   -1 :               0.00002351450696
                   +0 :              -0.00040367597299
                   +1 :               0.00040363538339
                3p
                   -1 :               0.00011909952589
                   +0 :               0.00015654422660
                   +1 :              -0.00014491039638
                3d
                   -2 :               0.00002720280202
                   -1 :               0.00000435334327
                   +0 :              -0.00003445794222
                   +1 :              -0.00002400154129
                   +2 :              -0.00001323714944
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000419793649
                2s
                   +0 :               0.00013521615807
                3s
                   +0 :               0.00006659571042
                2p
                   -1 :              -0.00030828569749
                   +0 :              -0.00040832996240
                   +1 :              -0.00013691408553
                3p
                   -1 :               0.00018162252452
                   +0 :               0.00036980187936
                   +1 :               0.00003548926525
                3d
                   -2 :               0.00000695150962
                   -1 :               0.00000681123979
                   +0 :               0.00003134745874
                   +1 :               0.00002187295470
                   +2 :               0.00000719731595
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001119764480
                2s
                   +0 :               0.00006374800471
                3s
                   +0 :               0.00002149669265
                2p
                   -1 :              -0.00042400631803
                   +0 :              -0.00039120223998
                   +1 :              -0.00034799982358
                3p
                   -1 :               0.00053146861516
                   +0 :               0.00018219776375
                   +1 :               0.00021799835880
                3d
                   -2 :              -0.00000722786316
                   -1 :               0.00002378750262
                   +0 :               0.00002834462939
                   +1 :               0.00002340214497
                   +2 :              -0.00003649224366
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000313771255
                2s
                   +0 :               0.00007045880743
                3s
                   +0 :              -0.00000316808521
                2p
                   -1 :              -0.00005331006032
                   +0 :               0.00001560646111
                   +1 :               0.00023398933122
                3p
                   -1 :               0.00004979405401
                   +0 :               0.00000398948705
                   +1 :              -0.00015023807866
                3d
                   -2 :               0.00000288830104
                   -1 :               0.00000283707723
                   +0 :              -0.00000080789482
                   +1 :               0.00000125825777
                   +2 :              -0.00000616463081
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001858073286
                2s
                   +0 :               0.00019444639007
                3s
                   +0 :              -0.00005788393044
                2p
                   -1 :              -0.00013081796976
                   +0 :               0.00015544074617
                   +1 :               0.00012028985807
                3p
                   -1 :               0.00012400316270
                   +0 :              -0.00011320506631
                   +1 :              -0.00000299478088
                3d
                   -2 :               0.00002232731137
                   -1 :               0.00000274842605
                   +0 :              -0.00000725555735
                   +1 :              -0.00002057215194
                   +2 :               0.00000419626510
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000395812044
                2s
                   +0 :              -0.00004199067929
                3s
                   +0 :               0.00003149510659
                2p
                   -1 :               0.00008668497975
                   +0 :              -0.00008320270688
                   +1 :              -0.00003392054653
                3p
                   -1 :              -0.00003261922730
                   +0 :               0.00005499723909
                   +1 :               0.00000398831109
                3d
                   -2 :               0.00000062040451
                   -1 :               0.00000003607764
                   +0 :               0.00001061597188
                   +1 :              -0.00000390780813
                   +2 :              -0.00000395182179
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000109796164
                2s
                   +0 :              -0.00001897054845
                3s
                   +0 :              -0.00000563283912
                2p
                   -1 :              -0.00002443157579
                   +0 :              -0.00003737421601
                   +1 :              -0.00011051988907
                3p
                   -1 :               0.00002816116704
                   +0 :               0.00000651055849
                   +1 :               0.00007656564823
                3d
                   -2 :              -0.00000090844955
                   -1 :               0.00000026903738
                   +0 :              -0.00000228145488
                   +1 :               0.00000524292667
                   +2 :               0.00000008732275
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000915818684
                2s
                   +0 :              -0.00000515911175
                3s
                   +0 :               0.00002396584289
                2p
                   -1 :               0.00005399266548
                   +0 :               0.00010150596985
                   +1 :              -0.00002092727154
                3p
                   -1 :              -0.00008203265650
                   +0 :              -0.00007387931756
                   +1 :              -0.00000573828272
                3d
                   -2 :               0.00000015905157
                   -1 :               0.00000594988048
                   +0 :              -0.00000028453444
                   +1 :               0.00000457247523
                   +2 :               0.00000223960181
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00002791966684
                2s
                   +0 :              -0.00014960076835
                3s
                   +0 :               0.00011466094574
                2p
                   -1 :               0.00009553609244
                   +0 :              -0.00000465276302
                   +1 :               0.00019980284874
                3p
                   -1 :              -0.00015883345104
                   +0 :               0.00001637182014
                   +1 :              -0.00019017433323
                3d
                   -2 :               0.00001580316224
                   -1 :              -0.00001544300109
                   +0 :              -0.00002488220756
                   +1 :              -0.00000270944855
                   +2 :              -0.00000953522235
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000506109883
                2s
                   +0 :              -0.00006143578854
                3s
                   +0 :              -0.00002398337618
                2p
                   -1 :               0.00003276819642
                   +0 :               0.00003226477745
                   +1 :               0.00007312292993
                3p
                   -1 :              -0.00006532040271
                   +0 :               0.00006508244980
                   +1 :              -0.00008150616052
                3d
                   -2 :              -0.00000034779946
                   -1 :               0.00000856446172
                   +0 :               0.00000137968485
                   +1 :               0.00000171629187
                   +2 :              -0.00000120412654
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003418318535
                2s
                   +0 :              -0.00027108295332
                3s
                   +0 :               0.00007765103126
                2p
                   -1 :               0.00009043344426
                   +0 :               0.00011487750834
                   +1 :               0.00004742069159
                3p
                   -1 :              -0.00005153320924
                   +0 :              -0.00002243493948
                   +1 :               0.00003492238586
                3d
                   -2 :              -0.00000245854222
                   -1 :               0.00000106263576
                   +0 :               0.00000648675701
                   +1 :              -0.00000780968526
                   +2 :              -0.00000122106606
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00002583027844
                2s
                   +0 :              -0.00030717363282
                3s
                   +0 :               0.00002580050984
                2p
                   -1 :               0.00005187787480
                   +0 :               0.00024321897358
                   +1 :              -0.00018796200294
                3p
                   -1 :               0.00001736518076
                   +0 :              -0.00004908449191
                   +1 :               0.00010702291064
                3d
                   -2 :              -0.00000072144846
                   -1 :              -0.00000784044071
                   +0 :               0.00000082844914
                   +1 :               0.00000450233791
                   +2 :              -0.00000102662166
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 18)  npairs=  15
              1 vec=     2.802674     -4.129085      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00029905288926
                2s
                   +0 :               0.00347090144694
                3s
                   +0 :              -0.00016137898379
                2p
                   -1 :               0.00165074175777
                   +0 :               0.00360452920965
                   +1 :               0.00423639771001
                3p
                   -1 :              -0.00145559704448
                   +0 :              -0.00033572832590
                   +1 :              -0.00097977695177
                3d
                   -2 :               0.00003669613659
                   -1 :              -0.00010817321302
                   +0 :               0.00002464358770
                   +1 :               0.00006922183449
                   +2 :               0.00008717820158
              2 vec=    -4.977489      0.362794      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00033164251799
                2s
                   +0 :               0.00254901584271
                3s
                   +0 :              -0.00034891066816
                2p
                   -1 :              -0.00049985888706
                   +0 :               0.00348943609815
                   +1 :              -0.00125459793689
                3p
                   -1 :              -0.00126072253765
                   +0 :              -0.00056596746646
                   +1 :              -0.00056967345777
                3d
                   -2 :               0.00016708820946
                   -1 :              -0.00028090916527
                   +0 :               0.00013834954504
                   +1 :              -0.00020859269764
                   +2 :               0.00005208734633
              3 vec=     2.802674      4.854673      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00029395786431
                2s
                   +0 :               0.00282493102152
                3s
                   +0 :              -0.00005576158569
                2p
                   -1 :               0.00272499262642
                   +0 :               0.00141024973319
                   +1 :              -0.00046976526845
                3p
                   -1 :              -0.00033272652501
                   +0 :               0.00101685313020
                   +1 :               0.00024902763943
                3d
                   -2 :              -0.00005518182955
                   -1 :               0.00014269344392
                   +0 :               0.00012474486277
                   +1 :              -0.00014090236561
                   +2 :              -0.00005409589631
              4 vec=    -4.977489     -8.620964      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00012086117346
                2s
                   +0 :               0.00103446935531
                3s
                   +0 :              -0.00047389160150
                2p
                   -1 :              -0.00057172616198
                   +0 :              -0.00016778421423
                   +1 :              -0.00029619965262
                3p
                   -1 :               0.00029268739307
                   +0 :              -0.00005583908737
                   +1 :               0.00044619178988
                3d
                   -2 :              -0.00004990276669
                   -1 :               0.00004221112822
                   +0 :               0.00000113225297
                   +1 :               0.00006485713070
                   +2 :              -0.00002172644746
              5 vec=    10.582837      0.362794      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00001259307649
                2s
                   +0 :               0.00021561262804
                3s
                   +0 :              -0.00001343831582
                2p
                   -1 :               0.00026357666465
                   +0 :              -0.00024302170042
                   +1 :               0.00004771438173
                3p
                   -1 :              -0.00016453826571
                   +0 :               0.00020194934781
                   +1 :               0.00002911408167
                3d
                   -2 :              -0.00001892163039
                   -1 :               0.00000556918602
                   +0 :               0.00004106978889
                   +1 :              -0.00000629224219
                   +2 :              -0.00001284419489
              6 vec=    -4.977489      9.346552      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00004486001661
                2s
                   +0 :               0.00057017893754
                3s
                   +0 :              -0.00007383903846
                2p
                   -1 :               0.00019124280824
                   +0 :              -0.00000437622093
                   +1 :              -0.00022415237043
                3p
                   -1 :               0.00005099044580
                   +0 :              -0.00005743841638
                   +1 :              -0.00002487984328
                3d
                   -2 :              -0.00001340202642
                   -1 :              -0.00001943900875
                   +0 :              -0.00001216742506
                   +1 :              -0.00001446119303
                   +2 :              -0.00000322671100
              7 vec=     2.802674    -13.112843      8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00001082194606
                2s
                   +0 :               0.00013871934007
                3s
                   +0 :              -0.00002032508787
                2p
                   -1 :              -0.00023777384871
                   +0 :               0.00011082394917
                   +1 :               0.00007017763010
                3p
                   -1 :               0.00012222385591
                   +0 :              -0.00005821055954
                   +1 :              -0.00002784751785
                3d
                   -2 :               0.00000008406114
                   -1 :              -0.00000100676620
                   +0 :              -0.00001039847417
                   +1 :              -0.00000524712070
                   +2 :               0.00000493779616
              8 vec=   -12.757651     -4.129085      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00003387004616
                2s
                   +0 :              -0.00020405931571
                3s
                   +0 :               0.00015259949822
                2p
                   -1 :               0.00023673116693
                   +0 :              -0.00012496435911
                   +1 :               0.00016429457168
                3p
                   -1 :              -0.00016524954100
                   +0 :               0.00013538484222
                   +1 :              -0.00022039779862
                3d
                   -2 :              -0.00000897540484
                   -1 :              -0.00000298371896
                   +0 :               0.00000388833272
                   +1 :              -0.00001581325367
                   +2 :               0.00000680713076
              9 vec=    10.582837     -8.620964      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00001890171122
                2s
                   +0 :              -0.00008543271735
                3s
                   +0 :               0.00008760987899
                2p
                   -1 :              -0.00002887406271
                   +0 :               0.00009691619324
                   +1 :               0.00001043194793
                3p
                   -1 :              -0.00006017464888
                   +0 :              -0.00006901072571
                   +1 :               0.00000476632056
                3d
                   -2 :              -0.00000585391785
                   -1 :               0.00000925663465
                   +0 :               0.00000370029274
                   +1 :              -0.00000851168820
                   +2 :              -0.00000495984572
             10 vec=   -12.757651      4.854673      8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00000042682760
                2s
                   +0 :              -0.00001273482049
                3s
                   +0 :              -0.00000221051393
                2p
                   -1 :               0.00010723358042
                   +0 :              -0.00004184182680
                   +1 :               0.00000555802712
                3p
                   -1 :              -0.00010153890870
                   +0 :               0.00002962833185
                   +1 :              -0.00000899140785
                3d
                   -2 :               0.00000285926468
                   -1 :               0.00000386938885
                   +0 :               0.00000231848342
                   +1 :               0.00000017844518
                   +2 :               0.00000422919939
             11 vec=    10.582837      9.346552      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00000821626516
                2s
                   +0 :               0.00005722692017
                3s
                   +0 :               0.00000517842626
                2p
                   -1 :               0.00004602732695
                   +0 :              -0.00005060088996
                   +1 :               0.00008110452734
                3p
                   -1 :              -0.00000231027960
                   +0 :               0.00004698324078
                   +1 :              -0.00004174626354
                3d
                   -2 :               0.00000321561460
                   -1 :              -0.00000036843141
                   +0 :              -0.00000095911323
                   +1 :               0.00000254013387
                   +2 :              -0.00000521805633
             12 vec=     2.802674     13.838431      8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00000577393838
                2s
                   +0 :              -0.00002770478554
                3s
                   +0 :               0.00003185344007
                2p
                   -1 :               0.00005419093908
                   +0 :              -0.00013709378013
                   +1 :              -0.00001205899672
                3p
                   -1 :               0.00000683637285
                   +0 :               0.00011847397346
                   +1 :               0.00002775627638
                3d
                   -2 :               0.00000367230450
                   -1 :               0.00000421821221
                   +0 :               0.00000772857683
                   +1 :               0.00000612608861
                   +2 :               0.00000044540065
             13 vec=     2.802674     -4.129085    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00000207541528
                2s
                   +0 :              -0.00004520425588
                3s
                   +0 :              -0.00000550776894
                2p
                   -1 :              -0.00009735270346
                   +0 :               0.00013350687489
                   +1 :               0.00011428758199
                3p
                   -1 :               0.00007651973921
                   +0 :              -0.00007138299205
                   +1 :              -0.00007254211639
                3d
                   -2 :              -0.00000188191029
                   -1 :               0.00000051243020
                   +0 :               0.00001122042525
                   +1 :              -0.00000206826595
                   +2 :               0.00000879026227
             14 vec=    -4.977489      0.362794    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00004302276546
                2s
                   +0 :              -0.00036033333657
                3s
                   +0 :               0.00008523931878
                2p
                   -1 :              -0.00015886940806
                   +0 :               0.00025019622680
                   +1 :               0.00015952506383
                3p
                   -1 :               0.00005241193107
                   +0 :              -0.00010261301288
                   +1 :              -0.00010009468756
                3d
                   -2 :               0.00000114293261
                   -1 :               0.00000520583226
                   +0 :              -0.00000137004456
                   +1 :               0.00000568014249
                   +2 :              -0.00000026647718
             15 vec=     2.802674      4.854673    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00002163647239
                2s
                   +0 :              -0.00022640883111
                3s
                   +0 :               0.00002418034102
                2p
                   -1 :               0.00001857863820
                   +0 :               0.00020417837472
                   +1 :              -0.00000035678895
                3p
                   -1 :               0.00001650098134
                   +0 :              -0.00004335717683
                   +1 :              -0.00006911149855
                3d
                   -2 :               0.00000630897906
                   -1 :              -0.00000381006233
                   +0 :               0.00000006536399
                   +1 :               0.00001334324860
                   +2 :              -0.00000205452461
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 19)  npairs=  14
              1 vec=     2.593388      1.738956      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00246000503554
                2s
                   +0 :               0.05304591161135
                3s
                   +0 :              -0.00372853285027
                2p
                   -1 :               0.01750186387590
                   +0 :               0.02523615800622
                   +1 :               0.01839156173846
                3p
                   -1 :              -0.00346475610506
                   +0 :              -0.00023667998372
                   +1 :               0.00050114446111
                3d
                   -2 :               0.00135919649636
                   -1 :               0.00215328405768
                   +0 :               0.00099036692453
                   +1 :               0.00212611694517
                   +2 :               0.00006095935564
              2 vec=    -5.186775     -2.752923      4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00227552511984
                2s
                   +0 :               0.01632341935324
                3s
                   +0 :              -0.00760373775449
                2p
                   -1 :              -0.00644665590570
                   +0 :               0.00584382820837
                   +1 :              -0.01377015693565
                3p
                   -1 :               0.00483967439604
                   +0 :              -0.00446945646619
                   +1 :               0.00969018611606
                3d
                   -2 :              -0.00063751714721
                   -1 :               0.00023596326941
                   +0 :               0.00036847329015
                   +1 :               0.00046730129169
                   +2 :              -0.00042752081252
              3 vec=     2.593388     -7.244802      4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00009604044030
                2s
                   +0 :               0.00088928603149
                3s
                   +0 :               0.00006121068670
                2p
                   -1 :              -0.00397181790056
                   +0 :              -0.00269714904261
                   +1 :               0.00385020292540
                3p
                   -1 :               0.00142220119174
                   +0 :               0.00052134612840
                   +1 :              -0.00154541458463
                3d
                   -2 :              -0.00006879162987
                   -1 :               0.00014262626512
                   +0 :              -0.00012773259291
                   +1 :              -0.00003037932659
                   +2 :              -0.00003300008929
              4 vec=    -5.186775      6.230835      4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00015737282064
                2s
                   +0 :               0.00106632320970
                3s
                   +0 :              -0.00015084528509
                2p
                   -1 :               0.00234223076528
                   +0 :              -0.00188494009133
                   +1 :              -0.00012894397925
                3p
                   -1 :               0.00011510898989
                   +0 :               0.00051157695104
                   +1 :              -0.00085225179192
                3d
                   -2 :              -0.00021113282253
                   -1 :              -0.00002012842400
                   +0 :              -0.00014526840464
                   +1 :               0.00002987039597
                   +2 :              -0.00002108825736
              5 vec=    10.373550     -2.752923      4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00005197624656
                2s
                   +0 :               0.00064023160018
                3s
                   +0 :              -0.00020717653858
                2p
                   -1 :               0.00049829855948
                   +0 :              -0.00017520488112
                   +1 :               0.00071871648067
                3p
                   -1 :              -0.00056045504301
                   +0 :               0.00010106158505
                   +1 :              -0.00047136669200
                3d
                   -2 :              -0.00001564875830
                   -1 :              -0.00002044168245
                   +0 :               0.00004430847402
                   +1 :              -0.00003233679959
                   +2 :              -0.00007071375573
              6 vec=     2.593388     10.722714      4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00007021849028
                2s
                   +0 :               0.00042983390077
                3s
                   +0 :              -0.00024696144832
                2p
                   -1 :               0.00084222356391
                   +0 :              -0.00030013151481
                   +1 :              -0.00046317693689
                3p
                   -1 :              -0.00081854392186
                   +0 :               0.00014562667619
                   +1 :               0.00033081486811
                3d
                   -2 :              -0.00004135395674
                   -1 :              -0.00000981225077
                   +0 :               0.00003302125890
                   +1 :               0.00000324360185
                   +2 :               0.00005305714161
              7 vec=    10.373550      6.230835      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00000666786052
                2s
                   +0 :               0.00011166069640
                3s
                   +0 :               0.00002540224771
                2p
                   -1 :              -0.00013837371231
                   +0 :               0.00030604168388
                   +1 :              -0.00009540739490
                3p
                   -1 :               0.00010508094805
                   +0 :              -0.00016337516322
                   +1 :               0.00018905697342
                3d
                   -2 :              -0.00001769585251
                   -1 :               0.00000851620452
                   +0 :              -0.00000583957465
                   +1 :              -0.00003231894459
                   +2 :              -0.00002890331162
              8 vec=    -5.186775    -11.736681      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00001467260813
                2s
                   +0 :               0.00033442079061
                3s
                   +0 :               0.00005661828050
                2p
                   -1 :              -0.00017703799967
                   +0 :               0.00009632684801
                   +1 :              -0.00000186253255
                3p
                   -1 :              -0.00012635458472
                   +0 :              -0.00007786358011
                   +1 :              -0.00015823045771
                3d
                   -2 :               0.00003935190214
                   -1 :               0.00000928947126
                   +0 :              -0.00002718293614
                   +1 :               0.00001640848987
                   +2 :              -0.00002067833948
              9 vec=   -12.966938      1.738956      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00001099927248
                2s
                   +0 :              -0.00002881626477
                3s
                   +0 :               0.00005258712528
                2p
                   -1 :               0.00021665612834
                   +0 :              -0.00015194645654
                   +1 :              -0.00008083860257
                3p
                   -1 :              -0.00016501654486
                   +0 :               0.00009610430151
                   +1 :               0.00002202001529
                3d
                   -2 :              -0.00000001643792
                   -1 :              -0.00000849533250
                   +0 :              -0.00000422578156
                   +1 :              -0.00000273108348
                   +2 :              -0.00001697491988
             10 vec=   -12.966938     -7.244802      4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00003191837483
                2s
                   +0 :               0.00019497085433
                3s
                   +0 :              -0.00005659135395
                2p
                   -1 :              -0.00007195281841
                   +0 :               0.00011157311315
                   +1 :              -0.00022286745982
                3p
                   -1 :               0.00004003621536
                   +0 :              -0.00010745769594
                   +1 :               0.00010514256159
                3d
                   -2 :               0.00000950870007
                   -1 :              -0.00000267088436
                   +0 :              -0.00001294855925
                   +1 :               0.00001009801133
                   +2 :               0.00001433509183
             11 vec=    10.373550    -11.736681      4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00001066298870
                2s
                   +0 :               0.00007952442400
                3s
                   +0 :               0.00000079739793
                2p
                   -1 :              -0.00000008604370
                   +0 :              -0.00002106480703
                   +1 :               0.00004587912781
                3p
                   -1 :              -0.00002000935142
                   +0 :               0.00001481747203
                   +1 :               0.00002028026919
                3d
                   -2 :               0.00000299975040
                   -1 :              -0.00000096155048
                   +0 :              -0.00001177261554
                   +1 :               0.00000763611361
                   +2 :               0.00000691244409
             12 vec=    -5.186775     15.214593      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00002417923553
                2s
                   +0 :              -0.00016965510656
                3s
                   +0 :               0.00006513333997
                2p
                   -1 :              -0.00009662049026
                   +0 :               0.00002542409041
                   +1 :               0.00009918750801
                3p
                   -1 :               0.00006799430517
                   +0 :              -0.00004874232058
                   +1 :              -0.00006542343645
                3d
                   -2 :              -0.00000145714917
                   -1 :              -0.00000267209421
                   +0 :              -0.00000649138410
                   +1 :              -0.00000311780634
                   +2 :              -0.00000053775105
             13 vec=     2.593388    -16.228560      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00000300745151
                2s
                   +0 :               0.00002439916514
                3s
                   +0 :              -0.00000227528907
                2p
                   -1 :               0.00000172240569
                   +0 :              -0.00008570448081
                   +1 :               0.00005480717468
                3p
                   -1 :              -0.00001437138668
                   +0 :               0.00006264366936
                   +1 :              -0.00006277895164
                3d
                   -2 :              -0.00000243079962
                   -1 :               0.00000111752667
                   +0 :               0.00000444602872
                   +1 :              -0.00000353852477
                   +2 :              -0.00000460834799
             14 vec=   -12.966938     10.722714      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000058962542
                2s
                   +0 :              -0.00001721281064
                3s
                   +0 :               0.00000127836073
                2p
                   -1 :              -0.00004891951845
                   +0 :               0.00004149680169
                   +1 :              -0.00005001438655
                3p
                   -1 :               0.00001314126302
                   +0 :              -0.00005473395703
                   +1 :               0.00002574517687
                3d
                   -2 :               0.00000217038144
                   -1 :              -0.00000062565564
                   +0 :              -0.00000165478789
                   +1 :               0.00000018641422
                   +2 :              -0.00000085425288
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 20)  npairs=  14
              1 vec=    -2.174815      1.738956      4.091257   |vec|=    4.948957
                1s
                   +0 :              -0.00266875560729
                2s
                   +0 :               0.08158329931293
                3s
                   +0 :              -0.00482231111805
                2p
                   -1 :               0.02458125914541
                   +0 :               0.04391934339920
                   +1 :              -0.02786408509269
                3p
                   -1 :              -0.00265848636361
                   +0 :              -0.00608170712683
                   +1 :               0.00388584031117
                3d
                   -2 :              -0.00215383911381
                   -1 :               0.00107422636580
                   +0 :               0.00096532923110
                   +1 :              -0.00125231397608
                   +2 :               0.00027957937845
              2 vec=     5.605348     -2.752923      4.091257   |vec|=    7.465715
                1s
                   +0 :              -0.00042446439128
                2s
                   +0 :               0.00318845933653
                3s
                   +0 :              -0.00148968765935
                2p
                   -1 :              -0.00327123606618
                   +0 :               0.00191404258688
                   +1 :               0.00189254551968
                3p
                   -1 :               0.00229600637436
                   +0 :              -0.00076228478514
                   +1 :              -0.00046521643398
                3d
                   -2 :               0.00016546116456
                   -1 :               0.00011826227777
                   +0 :               0.00039313282647
                   +1 :              -0.00005195021819
                   +2 :              -0.00015407365219
              3 vec=    -2.174815     -7.244802      4.091257   |vec|=    8.599730
                1s
                   +0 :              -0.00026569963397
                2s
                   +0 :               0.00127099180647
                3s
                   +0 :              -0.00088310354477
                2p
                   -1 :              -0.00257065699730
                   +0 :              -0.00355771623035
                   +1 :              -0.00207559865690
                3p
                   -1 :               0.00202217039812
                   +0 :               0.00062671814551
                   +1 :              -0.00008862135067
                3d
                   -2 :               0.00015008432354
                   -1 :               0.00027063000161
                   +0 :              -0.00001133982225
                   +1 :               0.00005561190120
                   +2 :               0.00012628092633
              4 vec=     5.605348      6.230835      4.091257   |vec|=    9.326393
                1s
                   +0 :              -0.00024816496491
                2s
                   +0 :               0.00176499769057
                3s
                   +0 :              -0.00057171925235
                2p
                   -1 :               0.00210239709968
                   +0 :               0.00036346178940
                   +1 :               0.00157830948561
                3p
                   -1 :              -0.00039678078289
                   +0 :              -0.00120881688401
                   +1 :              -0.00092661508471
                3d
                   -2 :               0.00003810096691
                   -1 :              -0.00012662649942
                   +0 :              -0.00001515310336
                   +1 :              -0.00010455086700
                   +2 :              -0.00005512872513
              5 vec=    -9.954977     -2.752923      4.091257   |vec|=   11.109390
                1s
                   +0 :               0.00019329523662
                2s
                   +0 :              -0.00089013494515
                3s
                   +0 :               0.00043572587593
                2p
                   -1 :               0.00059556383725
                   +0 :               0.00090589610285
                   +1 :              -0.00115506316597
                3p
                   -1 :              -0.00050777415989
                   +0 :              -0.00100548523758
                   +1 :               0.00087836732644
                3d
                   -2 :              -0.00000257570300
                   -1 :              -0.00002001290476
                   +0 :               0.00007949567810
                   +1 :               0.00004471819476
                   +2 :              -0.00012444706023
              6 vec=    -2.174815     10.722714      4.091257   |vec|=   11.680959
                1s
                   +0 :              -0.00002302818960
                2s
                   +0 :               0.00007536226008
                3s
                   +0 :              -0.00001136137635
                2p
                   -1 :               0.00051584016071
                   +0 :               0.00008469439939
                   +1 :               0.00030362894249
                3p
                   -1 :              -0.00053617246828
                   +0 :              -0.00017289800135
                   +1 :              -0.00022101164549
                3d
                   -2 :               0.00001721914161
                   -1 :               0.00003794278939
                   +0 :              -0.00000615125857
                   +1 :              -0.00000656238295
                   +2 :               0.00001026273719
              7 vec=    -9.954977      6.230835      4.091257   |vec|=   12.436369
                1s
                   +0 :              -0.00000981384181
                2s
                   +0 :               0.00018827669761
                3s
                   +0 :              -0.00003229387982
                2p
                   -1 :              -0.00033087319074
                   +0 :               0.00004942621024
                   +1 :              -0.00042814007287
                3p
                   -1 :               0.00011610972953
                   +0 :               0.00003070763671
                   +1 :               0.00026067791026
                3d
                   -2 :               0.00000757871490
                   -1 :              -0.00001073064633
                   +0 :               0.00001796307131
                   +1 :               0.00001557046331
                   +2 :               0.00000963097595
              8 vec=     5.605348    -11.736681      4.091257   |vec|=   13.634808
                1s
                   +0 :               0.00000546954525
                2s
                   +0 :               0.00025851454097
                3s
                   +0 :               0.00018672363850
                2p
                   -1 :               0.00003539805846
                   +0 :               0.00004170975717
                   +1 :               0.00032920613313
                3p
                   -1 :              -0.00044324334795
                   +0 :               0.00006813698687
                   +1 :               0.00000378413922
                3d
                   -2 :              -0.00004487017712
                   -1 :              -0.00002851553439
                   +0 :              -0.00001146039976
                   +1 :               0.00000818897474
                   +2 :              -0.00003900437137
              9 vec=    13.385510      1.738956      4.091257   |vec|=   14.104405
                1s
                   +0 :               0.00000055126474
                2s
                   +0 :               0.00010610886692
                3s
                   +0 :               0.00006150339448
                2p
                   -1 :              -0.00011423733959
                   +0 :              -0.00004507251555
                   +1 :              -0.00000937971076
                3p
                   -1 :               0.00010193733910
                   +0 :               0.00003752940836
                   +1 :               0.00019548541428
                3d
                   -2 :               0.00000860818075
                   -1 :              -0.00001568718403
                   +0 :              -0.00002869429775
                   +1 :               0.00001063733892
                   +2 :               0.00002271819862
             10 vec=    13.385510     -7.244802      4.091257   |vec|=   15.760629
                1s
                   +0 :               0.00000555522876
                2s
                   +0 :               0.00002953234412
                3s
                   +0 :               0.00001259774136
                2p
                   -1 :              -0.00008069030150
                   +0 :               0.00002613565504
                   +1 :              -0.00002022759356
                3p
                   -1 :               0.00005469799379
                   +0 :              -0.00001815717694
                   +1 :               0.00008453092457
                3d
                   -2 :               0.00000407781369
                   -1 :               0.00000135148692
                   +0 :               0.00000203995580
                   +1 :              -0.00000350850312
                   +2 :               0.00000379709027
             11 vec=    -9.954977    -11.736681      4.091257   |vec|=   15.924498
                1s
                   +0 :              -0.00005887858555
                2s
                   +0 :               0.00037233021754
                3s
                   +0 :              -0.00016220303685
                2p
                   -1 :              -0.00008799522583
                   +0 :               0.00015764542019
                   +1 :              -0.00007044858740
                3p
                   -1 :               0.00004143839526
                   +0 :              -0.00015542783435
                   +1 :               0.00001275857983
                3d
                   -2 :              -0.00000354816408
                   -1 :               0.00002127240137
                   +0 :              -0.00000977561414
                   +1 :               0.00001342499972
                   +2 :               0.00000642947583
             12 vec=     5.605348     15.214593      4.091257   |vec|=   16.722504
                1s
                   +0 :               0.00002303397721
                2s
                   +0 :              -0.00015235469821
                3s
                   +0 :               0.00007877178911
                2p
                   -1 :              -0.00001412567322
                   +0 :              -0.00005594309749
                   +1 :              -0.00004789535007
                3p
                   -1 :               0.00001634569082
                   +0 :               0.00003231473323
                   +1 :               0.00001582087263
                3d
                   -2 :               0.00000324529694
                   -1 :               0.00000178375620
                   +0 :              -0.00000200455629
                   +1 :              -0.00000164148803
                   +2 :               0.00000182719474
             13 vec=    -2.174815    -16.228560      4.091257   |vec|=   16.877036
                1s
                   +0 :              -0.00000988820166
                2s
                   +0 :               0.00007908863272
                3s
                   +0 :              -0.00001991266131
                2p
                   -1 :              -0.00001749142628
                   +0 :              -0.00006968331794
                   +1 :              -0.00005304248966
                3p
                   -1 :              -0.00002490583935
                   +0 :               0.00005172041344
                   +1 :               0.00004563394839
                3d
                   -2 :              -0.00000131244893
                   -1 :              -0.00000848720069
                   +0 :               0.00000025296202
                   +1 :              -0.00000569144386
                   +2 :              -0.00001002526383
             14 vec=    13.385510     10.722714      4.091257   |vec|=   17.631984
                1s
                   +0 :              -0.00000402756622
                2s
                   +0 :               0.00003683423089
                3s
                   +0 :              -0.00000859283439
                2p
                   -1 :              -0.00002148952516
                   +0 :              -0.00001263560740
                   +1 :               0.00004586710767
                3p
                   -1 :               0.00001268638778
                   +0 :               0.00000540051753
                   +1 :              -0.00001867529528
                3d
                   -2 :              -0.00000369513944
                   -1 :              -0.00000055257333
                   +0 :              -0.00000005841275
                   +1 :              -0.00000029840339
                   +2 :               0.00000417047493
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 21)  npairs=  14
              1 vec=     0.209286     -3.115418      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00236335213791
                2s
                   +0 :               0.06027634775794
                3s
                   +0 :              -0.00350444008318
                2p
                   -1 :              -0.02573743683777
                   +0 :               0.02399773048946
                   +1 :              -0.00171846988670
                3p
                   -1 :              -0.00086729964251
                   +0 :               0.00287957769818
                   +1 :               0.00450665385960
                3d
                   -2 :              -0.00006806930546
                   -1 :              -0.00316020783374
                   +0 :               0.00149036537978
                   +1 :              -0.00044104595347
                   +2 :              -0.00107242610424
              2 vec=     0.209286      5.868340      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00009003470149
                2s
                   +0 :              -0.00151599895101
                3s
                   +0 :               0.00049706307059
                2p
                   -1 :              -0.00004464214412
                   +0 :               0.00153251457554
                   +1 :              -0.00074349192619
                3p
                   -1 :               0.00095546554043
                   +0 :              -0.00123137198012
                   +1 :               0.00068863753209
                3d
                   -2 :               0.00000509048175
                   -1 :              -0.00019469351177
                   +0 :              -0.00033596742661
                   +1 :               0.00005300809316
                   +2 :               0.00009958309252
              3 vec=    -7.570876      1.376461      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00026979428738
                2s
                   +0 :              -0.00278090278340
                3s
                   +0 :               0.00098880678471
                2p
                   -1 :              -0.00248940298952
                   +0 :              -0.00333010706967
                   +1 :               0.00054993376029
                3p
                   -1 :               0.00100294776303
                   +0 :               0.00081819670918
                   +1 :              -0.00081323681553
                3d
                   -2 :               0.00005293180827
                   -1 :               0.00017144047654
                   +0 :              -0.00009826019468
                   +1 :               0.00013187094761
                   +2 :               0.00007340734231
              4 vec=     7.989449      1.376461      4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00012543538460
                2s
                   +0 :              -0.00055866058464
                3s
                   +0 :               0.00052478817399
                2p
                   -1 :               0.00100185734967
                   +0 :              -0.00106123518448
                   +1 :               0.00254531265409
                3p
                   -1 :              -0.00147564696502
                   +0 :               0.00002927335958
                   +1 :              -0.00126443670409
                3d
                   -2 :              -0.00015592228242
                   -1 :              -0.00001702777996
                   +0 :               0.00001237559060
                   +1 :              -0.00013702064262
                   +2 :               0.00004419461181
              5 vec=    -7.570876     -7.607297      4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00025184987821
                2s
                   +0 :              -0.00138416483821
                3s
                   +0 :               0.00081197553920
                2p
                   -1 :               0.00122341826261
                   +0 :               0.00051871980785
                   +1 :               0.00016326048123
                3p
                   -1 :              -0.00115567345930
                   +0 :              -0.00052184586198
                   +1 :              -0.00024779279467
                3d
                   -2 :               0.00003581764104
                   -1 :               0.00002398782288
                   +0 :              -0.00004868942389
                   +1 :               0.00001304197000
                   +2 :              -0.00006772685838
              6 vec=     7.989449     -7.607297      4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00002947011492
                2s
                   +0 :               0.00000358425866
                3s
                   +0 :               0.00016360128119
                2p
                   -1 :              -0.00018904368773
                   +0 :              -0.00018340048406
                   +1 :               0.00017019835988
                3p
                   -1 :               0.00008097667347
                   +0 :               0.00009693233283
                   +1 :               0.00006438105022
                3d
                   -2 :              -0.00001144550998
                   -1 :               0.00000455021616
                   +0 :              -0.00001741934324
                   +1 :               0.00000130663151
                   +2 :               0.00000100126340
              7 vec=     0.209286    -12.099176      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00001615855166
                2s
                   +0 :               0.00005227210792
                3s
                   +0 :               0.00013212813668
                2p
                   -1 :               0.00029528843829
                   +0 :              -0.00005929789122
                   +1 :              -0.00028468777372
                3p
                   -1 :              -0.00030765294950
                   +0 :               0.00017852902120
                   +1 :               0.00011720387524
                3d
                   -2 :              -0.00000513031721
                   -1 :              -0.00001176063993
                   +0 :              -0.00004049742287
                   +1 :              -0.00003178144444
                   +2 :               0.00000065463600
              8 vec=    -7.570876     10.360219      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00006159761754
                2s
                   +0 :               0.00071178220258
                3s
                   +0 :              -0.00016775361440
                2p
                   -1 :               0.00075639391925
                   +0 :              -0.00016895994678
                   +1 :              -0.00028278037503
                3p
                   -1 :              -0.00026876384202
                   +0 :               0.00009222125142
                   +1 :               0.00006499300365
                3d
                   -2 :              -0.00003271466361
                   -1 :               0.00001990644705
                   +0 :              -0.00002012730830
                   +1 :               0.00000867451520
                   +2 :               0.00001041171612
              9 vec=     7.989449     10.360219      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00002270299972
                2s
                   +0 :               0.00012637541934
                3s
                   +0 :               0.00014612482946
                2p
                   -1 :               0.00044908255373
                   +0 :               0.00003815459124
                   +1 :               0.00019465224603
                3p
                   -1 :              -0.00009257985657
                   +0 :              -0.00006881679244
                   +1 :              -0.00004492211623
                3d
                   -2 :               0.00002000222293
                   -1 :              -0.00001602685023
                   +0 :              -0.00000923694110
                   +1 :              -0.00002602475722
                   +2 :              -0.00000954962461
             10 vec=     0.209286     14.852098      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00004955204755
                2s
                   +0 :              -0.00030122288206
                3s
                   +0 :               0.00013941803398
                2p
                   -1 :              -0.00016758007129
                   +0 :              -0.00001765896455
                   +1 :               0.00002443131367
                3p
                   -1 :               0.00014920405200
                   +0 :               0.00000532899506
                   +1 :              -0.00003424980746
                3d
                   -2 :              -0.00000408404011
                   -1 :               0.00000342568028
                   +0 :               0.00000157654480
                   +1 :              -0.00000156426510
                   +2 :              -0.00000897387552
             11 vec=   -15.351039     -3.115418      4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00001036532154
                2s
                   +0 :              -0.00006553190651
                3s
                   +0 :               0.00006551234520
                2p
                   -1 :              -0.00005633810751
                   +0 :              -0.00003962832538
                   +1 :               0.00022469978608
                3p
                   -1 :               0.00006713749895
                   +0 :               0.00001540365693
                   +1 :              -0.00026337537602
                3d
                   -2 :              -0.00000811777259
                   -1 :               0.00000167319709
                   +0 :              -0.00000736303571
                   +1 :              -0.00000397299984
                   +2 :               0.00002623090837
             12 vec=    15.769612     -3.115418      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00000003859789
                2s
                   +0 :               0.00001982889597
                3s
                   +0 :               0.00001113022852
                2p
                   -1 :               0.00011677461191
                   +0 :              -0.00004882638561
                   +1 :              -0.00008071682207
                3p
                   -1 :              -0.00010486009971
                   +0 :               0.00002449382191
                   +1 :               0.00011213716977
                3d
                   -2 :              -0.00000423488762
                   -1 :               0.00000381041481
                   +0 :              -0.00000995393928
                   +1 :               0.00000047928418
                   +2 :               0.00000841762030
             13 vec=   -15.351039      5.868340      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00000563890858
                2s
                   +0 :               0.00002809776541
                3s
                   +0 :              -0.00002428173244
                2p
                   -1 :               0.00003103160472
                   +0 :               0.00006181866246
                   +1 :              -0.00000131564716
                3p
                   -1 :              -0.00002304274142
                   +0 :              -0.00005828202709
                   +1 :              -0.00002337695848
                3d
                   -2 :               0.00000606463012
                   -1 :              -0.00000670453378
                   +0 :              -0.00000528513782
                   +1 :               0.00000434749275
                   +2 :               0.00000093674104
             14 vec=    15.769612      5.868340      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000128854969
                2s
                   +0 :               0.00000678707281
                3s
                   +0 :               0.00001409522993
                2p
                   -1 :               0.00007591424253
                   +0 :              -0.00005720515165
                   +1 :               0.00000563450448
                3p
                   -1 :              -0.00004830428729
                   +0 :               0.00003116047335
                   +1 :               0.00002018776552
                3d
                   -2 :               0.00000422130587
                   -1 :              -0.00000141888533
                   +0 :               0.00000287944453
                   +1 :              -0.00000123041986
                   +2 :               0.00000115159257
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 22)  npairs=  15
              1 vec=    -2.174296      4.491580     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00029318492360
                2s
                   +0 :              -0.00309940231136
                3s
                   +0 :               0.00013284550519
                2p
                   -1 :              -0.00182397712012
                   +0 :               0.00183461493177
                   +1 :              -0.00247411674946
                3p
                   -1 :               0.00009737934654
                   +0 :               0.00014376718273
                   +1 :               0.00126851450926
                3d
                   -2 :              -0.00010710148459
                   -1 :               0.00002928507978
                   +0 :               0.00007800116977
                   +1 :              -0.00001105432227
                   +2 :              -0.00011747014460
              2 vec=    -2.174296     -4.492178     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00023487107745
                2s
                   +0 :              -0.00211697609061
                3s
                   +0 :               0.00012977401824
                2p
                   -1 :               0.00106956736858
                   +0 :               0.00313111402159
                   +1 :               0.00223540096833
                3p
                   -1 :              -0.00041487085484
                   +0 :              -0.00014858974235
                   +1 :               0.00037353315754
                3d
                   -2 :              -0.00004482826225
                   -1 :              -0.00003996099121
                   +0 :              -0.00016475905932
                   +1 :              -0.00035012801218
                   +2 :              -0.00003242069553
              3 vec=     5.605867     -0.000299     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00020480334384
                2s
                   +0 :              -0.00131725638911
                3s
                   +0 :              -0.00009021616628
                2p
                   -1 :               0.00109933156477
                   +0 :               0.00000302879201
                   +1 :              -0.00143818310035
                3p
                   -1 :              -0.00036398655352
                   +0 :               0.00133471489309
                   +1 :               0.00016299460195
                3d
                   -2 :               0.00001143584359
                   -1 :              -0.00018222294531
                   +0 :              -0.00008662612480
                   +1 :              -0.00015464474290
                   +2 :               0.00018939685551
              4 vec=    -9.954459     -0.000299     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00009561293183
                2s
                   +0 :              -0.00088216613470
                3s
                   +0 :               0.00034208301110
                2p
                   -1 :               0.00015846472270
                   +0 :              -0.00016088280827
                   +1 :               0.00069053199028
                3p
                   -1 :              -0.00036150639424
                   +0 :              -0.00002200020363
                   +1 :              -0.00042307811343
                3d
                   -2 :               0.00003123376032
                   -1 :               0.00001662653083
                   +0 :               0.00001298375202
                   +1 :               0.00005186297947
                   +2 :               0.00002773896283
              5 vec=     5.605867      8.983459     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00002240654685
                2s
                   +0 :              -0.00023215629710
                3s
                   +0 :               0.00001621995389
                2p
                   -1 :               0.00037146685936
                   +0 :               0.00002256846442
                   +1 :              -0.00049268284581
                3p
                   -1 :              -0.00035664454940
                   +0 :               0.00001994577517
                   +1 :               0.00041103968268
                3d
                   -2 :               0.00001564373285
                   -1 :              -0.00001005953523
                   +0 :              -0.00004473817478
                   +1 :              -0.00001799283753
                   +2 :               0.00004898023171
              6 vec=     5.605867     -8.984057     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00001671520382
                2s
                   +0 :              -0.00027638282028
                3s
                   +0 :               0.00002316524008
                2p
                   -1 :               0.00011075456923
                   +0 :               0.00005889351524
                   +1 :              -0.00009962572315
                3p
                   -1 :               0.00004746924630
                   +0 :              -0.00004495011845
                   +1 :               0.00002506988417
                3d
                   -2 :               0.00000542681642
                   -1 :              -0.00000557173356
                   +0 :               0.00000801600137
                   +1 :              -0.00001624365811
                   +2 :               0.00000876483555
              7 vec=    -9.954459      8.983459     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00011001571827
                2s
                   +0 :               0.00095157223027
                3s
                   +0 :              -0.00017701401241
                2p
                   -1 :               0.00010572801922
                   +0 :               0.00035867662914
                   +1 :              -0.00029827016229
                3p
                   -1 :               0.00022854305419
                   +0 :              -0.00014703399017
                   +1 :               0.00013834023241
                3d
                   -2 :              -0.00002188495333
                   -1 :               0.00002038576456
                   +0 :              -0.00002630522343
                   +1 :              -0.00000102005443
                   +2 :              -0.00004117311388
              8 vec=    -9.954459     -8.984057     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00002965178803
                2s
                   +0 :               0.00015957259978
                3s
                   +0 :              -0.00020074552417
                2p
                   -1 :              -0.00010036894487
                   +0 :              -0.00031525024361
                   +1 :              -0.00004676485202
                3p
                   -1 :               0.00024483086351
                   +0 :               0.00029025639693
                   +1 :               0.00011797147831
                3d
                   -2 :              -0.00003413622127
                   -1 :              -0.00001945232764
                   +0 :               0.00000129072316
                   +1 :              -0.00004432880448
                   +2 :               0.00000487542388
              9 vec=    -2.174296     13.475338     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00000530027788
                2s
                   +0 :              -0.00010712965540
                3s
                   +0 :              -0.00001780663308
                2p
                   -1 :              -0.00009935672685
                   +0 :               0.00007808741290
                   +1 :               0.00015233579747
                3p
                   -1 :               0.00001025681945
                   +0 :              -0.00004088748507
                   +1 :              -0.00003976275365
                3d
                   -2 :               0.00000310154433
                   -1 :              -0.00000906278235
                   +0 :              -0.00000987919890
                   +1 :               0.00000093710837
                   +2 :               0.00000756559048
             10 vec=    -2.174296    -13.475936     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00000501162135
                2s
                   +0 :               0.00000568323605
                3s
                   +0 :              -0.00002969755649
                2p
                   -1 :              -0.00001291345112
                   +0 :               0.00001920430411
                   +1 :               0.00009310131705
                3p
                   -1 :               0.00006968380888
                   +0 :              -0.00003247358279
                   +1 :              -0.00002623568270
                3d
                   -2 :              -0.00000126619513
                   -1 :              -0.00000103560514
                   +0 :               0.00000698823004
                   +1 :              -0.00000289756103
                   +2 :               0.00000965822774
             11 vec=    13.386029      4.491580     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00001529473675
                2s
                   +0 :               0.00006375367222
                3s
                   +0 :              -0.00009040800351
                2p
                   -1 :               0.00010553927373
                   +0 :              -0.00003563091632
                   +1 :               0.00014238142318
                3p
                   -1 :              -0.00009236979171
                   +0 :               0.00007368729063
                   +1 :              -0.00013129002870
                3d
                   -2 :              -0.00001703169363
                   -1 :               0.00001138563756
                   +0 :               0.00000879262802
                   +1 :               0.00001658778943
                   +2 :              -0.00001227845031
             12 vec=    13.386029     -4.492178     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000095224843
                2s
                   +0 :              -0.00004848344442
                3s
                   +0 :              -0.00002123000273
                2p
                   -1 :              -0.00003732119666
                   +0 :              -0.00000946632825
                   +1 :              -0.00014770409019
                3p
                   -1 :               0.00000869882891
                   +0 :               0.00002497653563
                   +1 :               0.00002482545261
                3d
                   -2 :              -0.00000345810560
                   -1 :               0.00000301314035
                   +0 :              -0.00000250279546
                   +1 :               0.00000657869840
                   +2 :              -0.00000597310759
             13 vec=    -2.174296      4.491580     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00001242589918
                2s
                   +0 :               0.00009915472869
                3s
                   +0 :              -0.00002665348787
                2p
                   -1 :              -0.00013673159004
                   +0 :               0.00021915543255
                   +1 :              -0.00009046801859
                3p
                   -1 :               0.00004859689462
                   +0 :              -0.00008401060661
                   +1 :               0.00003753652792
                3d
                   -2 :               0.00000213789920
                   -1 :              -0.00000808875134
                   +0 :              -0.00000518329779
                   +1 :               0.00000604534920
                   +2 :               0.00000425004490
             14 vec=    -2.174296     -4.492178     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00003239973247
                2s
                   +0 :               0.00020805270836
                3s
                   +0 :              -0.00008149103719
                2p
                   -1 :              -0.00021875067915
                   +0 :               0.00028007515487
                   +1 :              -0.00008469463430
                3p
                   -1 :               0.00011986808968
                   +0 :              -0.00014553447479
                   +1 :               0.00007413095872
                3d
                   -2 :              -0.00000246983222
                   -1 :               0.00000038349864
                   +0 :              -0.00000146868641
                   +1 :               0.00000765824094
                   +2 :              -0.00000342937722
             15 vec=     5.605867     -0.000299     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000655742930
                2s
                   +0 :               0.00007931341238
                3s
                   +0 :               0.00001208176920
                2p
                   -1 :               0.00004433256268
                   +0 :               0.00012992635335
                   +1 :              -0.00001737726556
                3p
                   -1 :               0.00003492244583
                   +0 :               0.00000024876002
                   +1 :               0.00003868628998
                3d
                   -2 :               0.00000227212347
                   -1 :               0.00000937574045
                   +0 :               0.00000227867916
                   +1 :               0.00000413263229
                   +2 :              -0.00000229583211
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 23)  npairs=  15
              1 vec=     2.592869      4.491580     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00017776450657
                2s
                   +0 :              -0.00158440972633
                3s
                   +0 :              -0.00012142566464
                2p
                   -1 :              -0.00140552334427
                   +0 :               0.00026821403653
                   +1 :               0.00193326486904
                3p
                   -1 :              -0.00012952124221
                   +0 :               0.00125961800322
                   +1 :              -0.00114236788779
                3d
                   -2 :               0.00003148952681
                   -1 :               0.00020030473554
                   +0 :              -0.00005534452457
                   +1 :              -0.00005451599262
                   +2 :              -0.00005129114767
              2 vec=     2.592869     -4.492178     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00048592490172
                2s
                   +0 :              -0.00459400863824
                3s
                   +0 :               0.00070614287143
                2p
                   -1 :               0.00148327170755
                   +0 :               0.00530849265209
                   +1 :              -0.00323219626825
                3p
                   -1 :               0.00001217201840
                   +0 :              -0.00072964552455
                   +1 :               0.00085941697011
                3d
                   -2 :              -0.00006100977155
                   -1 :               0.00001537154100
                   +0 :              -0.00012641841672
                   +1 :               0.00018156878778
                   +2 :              -0.00016980318419
              3 vec=    -5.187294     -0.000299     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00040619879425
                2s
                   +0 :              -0.00347073118863
                3s
                   +0 :               0.00067813246744
                2p
                   -1 :               0.00157245328296
                   +0 :               0.00164365174008
                   +1 :               0.00065913639630
                3p
                   -1 :              -0.00023926663278
                   +0 :              -0.00051506098175
                   +1 :               0.00023034261064
                3d
                   -2 :              -0.00010402364226
                   -1 :              -0.00020700595690
                   +0 :               0.00005703512435
                   +1 :              -0.00003974563386
                   +2 :               0.00011448069187
              4 vec=    10.373032     -0.000299     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00000521550205
                2s
                   +0 :              -0.00015669448000
                3s
                   +0 :               0.00004269874535
                2p
                   -1 :               0.00000351709509
                   +0 :              -0.00007682152158
                   +1 :               0.00008668556569
                3p
                   -1 :              -0.00002090282754
                   +0 :               0.00004304479254
                   +1 :              -0.00004609409237
                3d
                   -2 :               0.00000206259607
                   -1 :              -0.00000521616195
                   +0 :               0.00001908803033
                   +1 :               0.00001745747436
                   +2 :              -0.00003236804145
              5 vec=    -5.187294      8.983459     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001207901091
                2s
                   +0 :              -0.00007852178508
                3s
                   +0 :              -0.00009685538921
                2p
                   -1 :              -0.00010700228099
                   +0 :              -0.00019790162092
                   +1 :               0.00048639854661
                3p
                   -1 :              -0.00000329372476
                   +0 :               0.00030364877319
                   +1 :              -0.00016775266057
                3d
                   -2 :              -0.00000833985715
                   -1 :               0.00002669359611
                   +0 :              -0.00001545226273
                   +1 :               0.00001520235169
                   +2 :               0.00001234240370
              6 vec=    -5.187294     -8.984057     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00004589838207
                2s
                   +0 :              -0.00029136753314
                3s
                   +0 :               0.00017183978634
                2p
                   -1 :               0.00029664160997
                   +0 :              -0.00017836663270
                   +1 :              -0.00039031257448
                3p
                   -1 :              -0.00026759224111
                   +0 :               0.00008885740530
                   +1 :               0.00025468052225
                3d
                   -2 :              -0.00003446143149
                   -1 :               0.00002985081567
                   +0 :              -0.00003762968987
                   +1 :               0.00002152234278
                   +2 :              -0.00007025233039
              7 vec=    10.373032      8.983459     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00001243597733
                2s
                   +0 :               0.00002871499799
                3s
                   +0 :              -0.00005613259738
                2p
                   -1 :              -0.00023737008422
                   +0 :               0.00004531613614
                   +1 :              -0.00005485203238
                3p
                   -1 :               0.00009494977348
                   +0 :              -0.00003585791242
                   +1 :               0.00000374830125
                3d
                   -2 :              -0.00000402988471
                   -1 :              -0.00000574605654
                   +0 :               0.00000588750669
                   +1 :              -0.00000086706327
                   +2 :              -0.00000164819956
              8 vec=     2.592869     13.475338     -8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00002952498400
                2s
                   +0 :              -0.00027038255643
                3s
                   +0 :               0.00007346406287
                2p
                   -1 :              -0.00031671851209
                   +0 :               0.00006883101621
                   +1 :              -0.00003965364930
                3p
                   -1 :               0.00012882660917
                   +0 :              -0.00003820225031
                   +1 :              -0.00002875285617
                3d
                   -2 :              -0.00001233010772
                   -1 :              -0.00000726075295
                   +0 :               0.00000388448482
                   +1 :              -0.00000092159406
                   +2 :              -0.00000529413348
              9 vec=    10.373032     -8.984057     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00002525182116
                2s
                   +0 :               0.00016121481844
                3s
                   +0 :              -0.00011212923670
                2p
                   -1 :              -0.00001771904549
                   +0 :              -0.00014525002909
                   +1 :               0.00002422596503
                3p
                   -1 :               0.00005139643231
                   +0 :               0.00011489845893
                   +1 :              -0.00004282345598
                3d
                   -2 :               0.00000112124011
                   -1 :              -0.00001336252888
                   +0 :              -0.00001048520987
                   +1 :               0.00000260018190
                   +2 :               0.00000795683543
             10 vec=     2.592869    -13.475936     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000909071585
                2s
                   +0 :              -0.00011007788323
                3s
                   +0 :               0.00002193815386
                2p
                   -1 :              -0.00000538057973
                   +0 :              -0.00003321875127
                   +1 :              -0.00005528003407
                3p
                   -1 :               0.00000338653997
                   +0 :               0.00009112348477
                   +1 :               0.00007699947053
                3d
                   -2 :              -0.00000752623065
                   -1 :              -0.00001044040019
                   +0 :              -0.00001358097307
                   +1 :              -0.00000559733804
                   +2 :              -0.00000710079427
             11 vec=   -12.967456      4.491580     -8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00009101472109
                2s
                   +0 :               0.00070978055051
                3s
                   +0 :              -0.00017598473593
                2p
                   -1 :              -0.00002271712922
                   +0 :               0.00019110746716
                   +1 :              -0.00029901414997
                3p
                   -1 :              -0.00006554812482
                   +0 :              -0.00010731763675
                   +1 :               0.00004826051782
                3d
                   -2 :               0.00000777162361
                   -1 :              -0.00001679444784
                   +0 :              -0.00001751294030
                   +1 :               0.00000691797198
                   +2 :               0.00002035020753
             12 vec=   -12.967456     -4.492178     -8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000210684137
                2s
                   +0 :              -0.00006319179046
                3s
                   +0 :              -0.00005712794623
                2p
                   -1 :              -0.00011474152594
                   +0 :              -0.00003315779090
                   +1 :              -0.00002896106441
                3p
                   -1 :               0.00007542718174
                   +0 :               0.00003830451672
                   +1 :               0.00015207984650
                3d
                   -2 :              -0.00000491299838
                   -1 :               0.00000486103466
                   +0 :               0.00002731291748
                   +1 :              -0.00001944123394
                   +2 :              -0.00000967982053
             13 vec=     2.592869      4.491580     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00001185368068
                2s
                   +0 :               0.00008889845435
                3s
                   +0 :              -0.00000765566458
                2p
                   -1 :              -0.00002420603204
                   +0 :               0.00007723721830
                   +1 :               0.00004942453514
                3p
                   -1 :               0.00000552899143
                   +0 :               0.00005739821406
                   +1 :               0.00000548865506
                3d
                   -2 :              -0.00000255639814
                   -1 :              -0.00000646336280
                   +0 :               0.00000507724477
                   +1 :               0.00000245172745
                   +2 :              -0.00000186425404
             14 vec=     2.592869     -4.492178     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00003600330912
                2s
                   +0 :               0.00024552949411
                3s
                   +0 :              -0.00009307301727
                2p
                   -1 :               0.00008063104923
                   +0 :               0.00014603551966
                   +1 :              -0.00004651392242
                3p
                   -1 :              -0.00009780306491
                   +0 :              -0.00005243265398
                   +1 :               0.00000750787513
                3d
                   -2 :               0.00000005277482
                   -1 :              -0.00000725001735
                   +0 :              -0.00000921717546
                   +1 :              -0.00000548656196
                   +2 :              -0.00000871820301
             15 vec=    -5.187294     -0.000299     16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000944230271
                2s
                   +0 :              -0.00002858675618
                3s
                   +0 :               0.00005222668318
                2p
                   -1 :               0.00017679831142
                   +0 :               0.00013214201905
                   +1 :               0.00011060340158
                3p
                   -1 :              -0.00006835671567
                   +0 :               0.00001567761311
                   +1 :              -0.00012898225327
                3d
                   -2 :               0.00000238328259
                   -1 :               0.00000683112567
                   +0 :              -0.00000173186223
                   +1 :              -0.00000830534928
                   +2 :               0.00000185378629
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 24)  npairs=  14
              1 vec=     0.209286      0.363094     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00025416144901
                2s
                   +0 :              -0.00010176791581
                3s
                   +0 :               0.00101839413855
                2p
                   -1 :              -0.00058167302002
                   +0 :               0.00255822745792
                   +1 :               0.00041767974144
                3p
                   -1 :               0.00040228827859
                   +0 :              -0.00288723341616
                   +1 :              -0.00012119683306
                3d
                   -2 :               0.00003192293005
                   -1 :               0.00011140946791
                   +0 :               0.00063612342968
                   +1 :              -0.00016605211651
                   +2 :               0.00009120945485
              2 vec=     0.209286     -8.620664     -8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00006968344439
                2s
                   +0 :              -0.00083183785192
                3s
                   +0 :               0.00017727704051
                2p
                   -1 :               0.00092498748803
                   +0 :               0.00084808017850
                   +1 :               0.00036521692981
                3p
                   -1 :              -0.00031529436125
                   +0 :              -0.00049635712851
                   +1 :              -0.00027683460435
                3d
                   -2 :               0.00000205887696
                   -1 :               0.00001925361514
                   +0 :               0.00004241132257
                   +1 :               0.00000215347637
                   +2 :              -0.00001583543806
              3 vec=    -7.570876     -4.128785     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00017258560533
                2s
                   +0 :               0.00058809781582
                3s
                   +0 :              -0.00081259134570
                2p
                   -1 :               0.00030298668436
                   +0 :              -0.00115196498261
                   +1 :               0.00059203101683
                3p
                   -1 :              -0.00012430221361
                   +0 :               0.00093350448670
                   +1 :              -0.00010492843821
                3d
                   -2 :               0.00005983300298
                   -1 :               0.00002441017249
                   +0 :              -0.00005587939700
                   +1 :              -0.00001889744529
                   +2 :              -0.00005297998029
              4 vec=     7.989449     -4.128785     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00001704378776
                2s
                   +0 :              -0.00026636016701
                3s
                   +0 :              -0.00011997449500
                2p
                   -1 :               0.00002895307471
                   +0 :              -0.00017050071043
                   +1 :              -0.00054643568041
                3p
                   -1 :               0.00017344429235
                   +0 :               0.00005505046767
                   +1 :              -0.00016118934696
                3d
                   -2 :               0.00003338400508
                   -1 :              -0.00004507262877
                   +0 :               0.00004858318552
                   +1 :               0.00005370260727
                   +2 :              -0.00002109713797
              5 vec=    -7.570876      4.854973     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00002432998425
                2s
                   +0 :               0.00099798315078
                3s
                   +0 :               0.00035241212487
                2p
                   -1 :              -0.00049734221209
                   +0 :               0.00033964612076
                   +1 :               0.00008932175307
                3p
                   -1 :               0.00079995838461
                   +0 :              -0.00009939025646
                   +1 :              -0.00015684784281
                3d
                   -2 :              -0.00032020030479
                   -1 :              -0.00013052156792
                   +0 :              -0.00017008486292
                   +1 :               0.00012558944526
                   +2 :               0.00006891546590
              6 vec=     7.989449      4.854973     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00004756065135
                2s
                   +0 :              -0.00058222867662
                3s
                   +0 :               0.00005062443713
                2p
                   -1 :              -0.00053603505209
                   +0 :              -0.00021178552363
                   +1 :              -0.00096543632844
                3p
                   -1 :               0.00018214260461
                   +0 :               0.00036161238341
                   +1 :               0.00038929209659
                3d
                   -2 :               0.00001409427594
                   -1 :               0.00000036419525
                   +0 :              -0.00005492925565
                   +1 :               0.00002979708882
                   +2 :               0.00003015083701
              7 vec=     0.209286      9.346852     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00006165016006
                2s
                   +0 :              -0.00089152938798
                3s
                   +0 :               0.00014036349629
                2p
                   -1 :              -0.00050813072404
                   +0 :               0.00059421413156
                   +1 :               0.00021570582606
                3p
                   -1 :               0.00005115239637
                   +0 :              -0.00052151574534
                   +1 :              -0.00019643665221
                3d
                   -2 :              -0.00001574308459
                   -1 :              -0.00000269288588
                   +0 :               0.00001380763740
                   +1 :              -0.00000819495298
                   +2 :               0.00004227996311
              8 vec=     0.209286      0.363094     16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00001676186066
                2s
                   +0 :              -0.00013680935070
                3s
                   +0 :               0.00006952941506
                2p
                   -1 :               0.00006159901729
                   +0 :              -0.00001685015400
                   +1 :              -0.00002845108253
                3p
                   -1 :              -0.00005575213882
                   +0 :               0.00006688130040
                   +1 :               0.00007373936372
                3d
                   -2 :               0.00000181284085
                   -1 :               0.00000001993393
                   +0 :               0.00001286872796
                   +1 :               0.00000185630978
                   +2 :               0.00000928732471
              9 vec=    -7.570876    -13.112543     -8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00001884770082
                2s
                   +0 :              -0.00013053792467
                3s
                   +0 :               0.00006057248908
                2p
                   -1 :               0.00013866980925
                   +0 :               0.00012061422035
                   +1 :               0.00009479251660
                3p
                   -1 :              -0.00013865274860
                   +0 :              -0.00009461386206
                   +1 :              -0.00009140967289
                3d
                   -2 :               0.00000571010490
                   -1 :              -0.00000101972494
                   +0 :               0.00000025894270
                   +1 :               0.00000109917631
                   +2 :              -0.00000596618820
             10 vec=     7.989449    -13.112543     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000914809603
                2s
                   +0 :              -0.00005733532883
                3s
                   +0 :               0.00002315133395
                2p
                   -1 :               0.00011025059381
                   +0 :               0.00002086358104
                   +1 :              -0.00006318189260
                3p
                   -1 :              -0.00004073600033
                   +0 :               0.00000793739586
                   +1 :               0.00000449654926
                3d
                   -2 :              -0.00000395260219
                   -1 :               0.00000086215727
                   +0 :               0.00000296064087
                   +1 :               0.00000216738394
                   +2 :              -0.00000145440201
             11 vec=   -15.351039      0.363094     -8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000856574744
                2s
                   +0 :               0.00005988134251
                3s
                   +0 :              -0.00003117869662
                2p
                   -1 :              -0.00008433995522
                   +0 :               0.00006675011766
                   +1 :              -0.00001355433111
                3p
                   -1 :               0.00001129965106
                   +0 :              -0.00000340950211
                   +1 :               0.00004249859487
                3d
                   -2 :               0.00000597513001
                   -1 :              -0.00000054388227
                   +0 :               0.00000303293096
                   +1 :              -0.00000723198043
                   +2 :              -0.00000736559391
             12 vec=    15.769612      0.363094     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000167074682
                2s
                   +0 :               0.00000485616113
                3s
                   +0 :              -0.00000931643704
                2p
                   -1 :               0.00000702773838
                   +0 :               0.00003008890548
                   +1 :              -0.00002304600175
                3p
                   -1 :               0.00000096248330
                   +0 :               0.00000206875570
                   +1 :              -0.00000083444154
                3d
                   -2 :               0.00000324419907
                   -1 :              -0.00000049688888
                   +0 :              -0.00000530464191
                   +1 :               0.00000370162792
                   +2 :               0.00000266699330
             13 vec=    -7.570876     13.838731     -8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00001081392815
                2s
                   +0 :               0.00010872179231
                3s
                   +0 :              -0.00003691760137
                2p
                   -1 :               0.00014774983069
                   +0 :               0.00003493391559
                   +1 :               0.00018235562119
                3p
                   -1 :              -0.00010739685994
                   +0 :               0.00002317526910
                   +1 :              -0.00005237366766
                3d
                   -2 :               0.00000451357332
                   -1 :               0.00000210056788
                   +0 :              -0.00000133713261
                   +1 :              -0.00000417105959
                   +2 :               0.00000103536451
             14 vec=     7.989449     13.838731     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000094378284
                2s
                   +0 :              -0.00004944764465
                3s
                   +0 :               0.00000412663094
                2p
                   -1 :              -0.00005348854707
                   +0 :               0.00006407772452
                   +1 :               0.00002112708974
                3p
                   -1 :               0.00003105682021
                   +0 :              -0.00004893574857
                   +1 :              -0.00001678277212
                3d
                   -2 :               0.00000219359782
                   -1 :              -0.00000115966272
                   +0 :              -0.00000113276702
                   +1 :              -0.00000098456326
                   +2 :              -0.00000066032477
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 25)  npairs=  14
              1 vec=    -0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003801575107
                2s
                   +0 :              -0.00080743591953
                3s
                   +0 :               0.00004215022064
                2p
                   -1 :              -0.00043574064057
                   +0 :               0.00031196036996
                   +1 :               0.00049053894096
                3p
                   -1 :               0.00026378975384
                   +0 :              -0.00011351532330
                   +1 :              -0.00035007625058
                3d
                   -2 :               0.00000762730525
                   -1 :              -0.00002024194182
                   +0 :               0.00001553467974
                   +1 :              -0.00000143232417
                   +2 :              -0.00001712266237
              2 vec=    -0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00010240529570
                2s
                   +0 :              -0.00022482397651
                3s
                   +0 :               0.00041312567580
                2p
                   -1 :               0.00068740493345
                   +0 :              -0.00070777361226
                   +1 :              -0.00023560577104
                3p
                   -1 :              -0.00062197046616
                   +0 :               0.00072325278096
                   +1 :               0.00014096484754
                3d
                   -2 :              -0.00000017988102
                   -1 :              -0.00003997615107
                   +0 :               0.00000040313524
                   +1 :               0.00001979216808
                   +2 :              -0.00000077499339
              3 vec=    -0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00017104292346
                2s
                   +0 :              -0.00191271553096
                3s
                   +0 :               0.00024253688750
                2p
                   -1 :              -0.00071750298975
                   +0 :               0.00097955976847
                   +1 :              -0.00020108487450
                3p
                   -1 :               0.00035686597379
                   +0 :              -0.00005631624388
                   +1 :               0.00014857613959
                3d
                   -2 :              -0.00001539620520
                   -1 :               0.00002260057387
                   +0 :              -0.00008273287539
                   +1 :               0.00000636301461
                   +2 :               0.00000057668511
              4 vec=    -0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00008897272784
                2s
                   +0 :               0.00135233462555
                3s
                   +0 :              -0.00009150312417
                2p
                   -1 :               0.00035072115171
                   +0 :               0.00098196549997
                   +1 :               0.00000022651724
                3p
                   -1 :              -0.00003472241028
                   +0 :              -0.00000894111879
                   +1 :               0.00021640041178
                3d
                   -2 :               0.00002605505887
                   -1 :               0.00002961148018
                   +0 :               0.00002102688179
                   +1 :               0.00004840677961
                   +2 :               0.00002595620300
              5 vec=     7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001450840445
                2s
                   +0 :              -0.00023050964812
                3s
                   +0 :               0.00004348175229
                2p
                   -1 :              -0.00023439012425
                   +0 :               0.00016180860593
                   +1 :              -0.00023989337845
                3p
                   -1 :               0.00016912418670
                   +0 :              -0.00012685594059
                   +1 :               0.00014137035241
                3d
                   -2 :               0.00001318657558
                   -1 :              -0.00000979152529
                   +0 :               0.00001159149827
                   +1 :              -0.00000309985054
                   +2 :              -0.00000065964118
              6 vec=     7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00006229010620
                2s
                   +0 :               0.00046319703564
                3s
                   +0 :              -0.00014288115586
                2p
                   -1 :              -0.00000223540515
                   +0 :               0.00013012056850
                   +1 :               0.00013090768305
                3p
                   -1 :               0.00015237622901
                   +0 :              -0.00003218787860
                   +1 :              -0.00005145562293
                3d
                   -2 :               0.00001082183931
                   -1 :               0.00002718321171
                   +0 :              -0.00001993105259
                   +1 :              -0.00001480854629
                   +2 :              -0.00001826637935
              7 vec=    -7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004360758325
                2s
                   +0 :              -0.00048763585258
                3s
                   +0 :               0.00012703983953
                2p
                   -1 :              -0.00020102219727
                   +0 :               0.00039977245341
                   +1 :               0.00002789601130
                3p
                   -1 :              -0.00002898735672
                   +0 :              -0.00027049912606
                   +1 :               0.00006089322466
                3d
                   -2 :               0.00000054168428
                   -1 :               0.00001224717393
                   +0 :               0.00001996201586
                   +1 :              -0.00001371132638
                   +2 :               0.00000742976627
              8 vec=    -7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00004640714650
                2s
                   +0 :               0.00054400342492
                3s
                   +0 :              -0.00004270202894
                2p
                   -1 :               0.00026300827385
                   +0 :              -0.00000875532336
                   +1 :              -0.00015882521716
                3p
                   -1 :              -0.00003102661352
                   +0 :               0.00024797721179
                   +1 :              -0.00005265392046
                3d
                   -2 :              -0.00002235951759
                   -1 :               0.00001910433502
                   +0 :               0.00002367697951
                   +1 :              -0.00001697359547
                   +2 :              -0.00001055279536
              9 vec=     7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000160198799
                2s
                   +0 :              -0.00001589654791
                3s
                   +0 :               0.00000661429866
                2p
                   -1 :               0.00008667782720
                   +0 :              -0.00006717396255
                   +1 :              -0.00010607150495
                3p
                   -1 :              -0.00003164038904
                   +0 :               0.00005861978563
                   +1 :               0.00007977176344
                3d
                   -2 :              -0.00000547901630
                   -1 :              -0.00000415169944
                   +0 :               0.00000273687277
                   +1 :              -0.00000283819842
                   +2 :               0.00000873733150
             10 vec=     7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000098254407
                2s
                   +0 :               0.00004380259401
                3s
                   +0 :               0.00000020912536
                2p
                   -1 :               0.00002838456057
                   +0 :              -0.00003990454740
                   +1 :               0.00021795298073
                3p
                   -1 :              -0.00006274345931
                   +0 :               0.00007903123175
                   +1 :              -0.00015514875776
                3d
                   -2 :               0.00000130357077
                   -1 :              -0.00000852675516
                   +0 :               0.00000667353264
                   +1 :              -0.00001245203973
                   +2 :              -0.00001495961740
             11 vec=    -7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00003438322060
                2s
                   +0 :              -0.00025200562755
                3s
                   +0 :               0.00005479164774
                2p
                   -1 :              -0.00007408429557
                   +0 :               0.00009644628142
                   +1 :               0.00002119040183
                3p
                   -1 :               0.00013814235848
                   +0 :              -0.00003121928612
                   +1 :               0.00002487155351
                3d
                   -2 :              -0.00001126029314
                   -1 :              -0.00001458216343
                   +0 :              -0.00001324474887
                   +1 :               0.00000237095442
                   +2 :               0.00001187313394
             12 vec=    -7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001720377956
                2s
                   +0 :               0.00015637828182
                3s
                   +0 :              -0.00004597938206
                2p
                   -1 :              -0.00009802579282
                   +0 :               0.00010334498994
                   +1 :              -0.00016812174360
                3p
                   -1 :               0.00002372691963
                   +0 :              -0.00003710390043
                   +1 :               0.00009221400934
                3d
                   -2 :               0.00000079709989
                   -1 :              -0.00000156024029
                   +0 :               0.00001565926246
                   +1 :               0.00000373877527
                   +2 :               0.00000053734197
             13 vec=    -0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001151233938
                2s
                   +0 :              -0.00015217467272
                3s
                   +0 :               0.00000709489649
                2p
                   -1 :               0.00008453543864
                   +0 :               0.00003911930206
                   +1 :               0.00000659445829
                3p
                   -1 :               0.00002557504725
                   +0 :               0.00002225038189
                   +1 :              -0.00002168459136
                3d
                   -2 :              -0.00000325515643
                   -1 :              -0.00001057241624
                   +0 :              -0.00000458736118
                   +1 :               0.00000211328672
                   +2 :               0.00000355254487
             14 vec=    -0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000647756256
                2s
                   +0 :               0.00009218530955
                3s
                   +0 :              -0.00001851911016
                2p
                   -1 :              -0.00018355055295
                   +0 :               0.00001609294897
                   +1 :               0.00000873152323
                3p
                   -1 :               0.00008864264323
                   +0 :              -0.00001078425652
                   +1 :               0.00000080878401
                3d
                   -2 :               0.00000704730154
                   -1 :               0.00000921328017
                   +0 :              -0.00000113037049
                   +1 :               0.00000345696860
                   +2 :              -0.00000019365438
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 26)  npairs=  18
              1 vec=     3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00000251994845
                2s
                   +0 :              -0.00038802125265
                3s
                   +0 :              -0.00008102973093
                2p
                   -1 :               0.00011291480335
                   +0 :               0.00017038856692
                   +1 :               0.00036546857470
                3p
                   -1 :              -0.00016894042634
                   +0 :               0.00000735203779
                   +1 :              -0.00035951962677
                3d
                   -2 :              -0.00000203851407
                   -1 :               0.00001221896349
                   +0 :               0.00000992062515
                   +1 :               0.00003706697909
                   +2 :              -0.00002502601387
              2 vec=     3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006966532750
                2s
                   +0 :              -0.00014916146471
                3s
                   +0 :               0.00022569720262
                2p
                   -1 :              -0.00020664983416
                   +0 :               0.00009050173729
                   +1 :              -0.00043737797569
                3p
                   -1 :               0.00013500861553
                   +0 :              -0.00005018121211
                   +1 :               0.00036585570286
                3d
                   -2 :               0.00004073904348
                   -1 :               0.00003424813601
                   +0 :              -0.00001737479418
                   +1 :               0.00001757499946
                   +2 :              -0.00001415234895
              3 vec=    -4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00015318247352
                2s
                   +0 :              -0.00177352313319
                3s
                   +0 :               0.00023891360212
                2p
                   -1 :               0.00009385502018
                   +0 :               0.00080629922220
                   +1 :               0.00015620971537
                3p
                   -1 :              -0.00005936655548
                   +0 :               0.00004424667936
                   +1 :               0.00004076720901
                3d
                   -2 :               0.00002204408969
                   -1 :               0.00000187451113
                   +0 :              -0.00002375296998
                   +1 :              -0.00001669650269
                   +2 :               0.00001648577735
              4 vec=    -4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00011438995906
                2s
                   +0 :               0.00138648788233
                3s
                   +0 :              -0.00018417882605
                2p
                   -1 :               0.00013279746399
                   +0 :               0.00084605450439
                   +1 :              -0.00005561198315
                3p
                   -1 :              -0.00019624016836
                   +0 :              -0.00000088906405
                   +1 :              -0.00004923434222
                3d
                   -2 :              -0.00002865408751
                   -1 :              -0.00002212531467
                   +0 :               0.00000224757345
                   +1 :              -0.00000048742172
                   +2 :              -0.00000722888543
              5 vec=    -4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005501052315
                2s
                   +0 :              -0.00046892718260
                3s
                   +0 :               0.00014770781147
                2p
                   -1 :               0.00012267909551
                   +0 :               0.00021484297996
                   +1 :               0.00036729563998
                3p
                   -1 :              -0.00015683878797
                   +0 :              -0.00005697700530
                   +1 :              -0.00003693942709
                3d
                   -2 :               0.00000510331582
                   -1 :               0.00001077853234
                   +0 :               0.00001125308395
                   +1 :              -0.00001475860652
                   +2 :              -0.00000570562057
              6 vec=    -4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00010031762548
                2s
                   +0 :               0.00152182846109
                3s
                   +0 :              -0.00016683941080
                2p
                   -1 :               0.00034019161460
                   +0 :               0.00109731929829
                   +1 :              -0.00068290510609
                3p
                   -1 :              -0.00008375171279
                   +0 :              -0.00016618540320
                   +1 :               0.00003259581182
                3d
                   -2 :              -0.00003079387795
                   -1 :               0.00001334472923
                   +0 :               0.00002422645445
                   +1 :              -0.00004542627277
                   +2 :               0.00003449406860
              7 vec=     3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004475213531
                2s
                   +0 :              -0.00084115922338
                3s
                   +0 :               0.00009508198164
                2p
                   -1 :               0.00065878931956
                   +0 :               0.00070624424252
                   +1 :              -0.00000774564098
                3p
                   -1 :              -0.00025778020477
                   +0 :              -0.00018034969876
                   +1 :               0.00002165835757
                3d
                   -2 :              -0.00000775299267
                   -1 :              -0.00001875327099
                   +0 :              -0.00000947222480
                   +1 :              -0.00000866926730
                   +2 :               0.00001304129284
              8 vec=     3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005677652056
                2s
                   +0 :               0.00055934643606
                3s
                   +0 :              -0.00012699099299
                2p
                   -1 :              -0.00033887848881
                   +0 :               0.00029856318393
                   +1 :              -0.00038093202075
                3p
                   -1 :               0.00002285864777
                   +0 :              -0.00004122094047
                   +1 :               0.00019654332584
                3d
                   -2 :               0.00000413741681
                   -1 :              -0.00002724620332
                   +0 :              -0.00001533369301
                   +1 :              -0.00000111408833
                   +2 :              -0.00002207072642
              9 vec=     3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002012070290
                2s
                   +0 :              -0.00020269225801
                3s
                   +0 :               0.00004611824707
                2p
                   -1 :              -0.00005214703857
                   +0 :               0.00010225840337
                   +1 :               0.00009570687488
                3p
                   -1 :              -0.00001768179567
                   +0 :              -0.00007091414161
                   +1 :              -0.00012306922751
                3d
                   -2 :              -0.00001301103298
                   -1 :              -0.00000209927235
                   +0 :               0.00000569702117
                   +1 :               0.00000870796454
                   +2 :               0.00000422162435
             10 vec=     3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001490655971
                2s
                   +0 :               0.00012498952468
                3s
                   +0 :              -0.00005648922230
                2p
                   -1 :               0.00011985607040
                   +0 :               0.00004274373416
                   +1 :               0.00002866249694
                3p
                   -1 :               0.00000160089946
                   +0 :              -0.00003004446686
                   +1 :               0.00000279941337
                3d
                   -2 :              -0.00000149040149
                   -1 :              -0.00000282999837
                   +0 :              -0.00000155908556
                   +1 :               0.00000246062539
                   +2 :               0.00000168852110
             11 vec=    10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000564545424
                2s
                   +0 :              -0.00004921289860
                3s
                   +0 :               0.00002856903384
                2p
                   -1 :              -0.00000900584385
                   +0 :              -0.00002936113392
                   +1 :               0.00004187877472
                3p
                   -1 :              -0.00000506412675
                   +0 :               0.00003014736542
                   +1 :              -0.00008421306678
                3d
                   -2 :              -0.00000487842030
                   -1 :               0.00000436301414
                   +0 :              -0.00000222020939
                   +1 :              -0.00000512672737
                   +2 :               0.00000488359904
             12 vec=    10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000340515175
                2s
                   +0 :               0.00006940073876
                3s
                   +0 :               0.00000011486092
                2p
                   -1 :              -0.00015953118691
                   +0 :               0.00005288512575
                   +1 :              -0.00004802680351
                3p
                   -1 :               0.00013800688595
                   +0 :              -0.00002181609140
                   +1 :               0.00010786127547
                3d
                   -2 :               0.00000203382847
                   -1 :               0.00001182598447
                   +0 :              -0.00000102018109
                   +1 :               0.00000776255088
                   +2 :               0.00001299360666
             13 vec=    10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001590116305
                2s
                   +0 :              -0.00013865329265
                3s
                   +0 :               0.00003909841571
                2p
                   -1 :               0.00004632713571
                   +0 :               0.00010593411317
                   +1 :              -0.00014008089705
                3p
                   -1 :              -0.00004084356333
                   +0 :              -0.00005268074757
                   +1 :               0.00006992615300
                3d
                   -2 :              -0.00000534494097
                   -1 :              -0.00000075407900
                   +0 :              -0.00000399011775
                   +1 :              -0.00000109182476
                   +2 :               0.00000162489784
             14 vec=    10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002059714140
                2s
                   +0 :               0.00018222402229
                3s
                   +0 :              -0.00005579480974
                2p
                   -1 :               0.00010506158658
                   +0 :               0.00008119418926
                   +1 :               0.00009760331757
                3p
                   -1 :              -0.00006332156617
                   +0 :              -0.00004839641294
                   +1 :              -0.00001251239166
                3d
                   -2 :              -0.00000038560474
                   -1 :              -0.00000344151783
                   +0 :               0.00000101680441
                   +1 :              -0.00000178981821
                   +2 :               0.00000698299948
             15 vec=   -12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000479228419
                2s
                   +0 :              -0.00000492203804
                3s
                   +0 :               0.00004360937596
                2p
                   -1 :              -0.00014091143188
                   +0 :               0.00003792355415
                   +1 :               0.00001196791971
                3p
                   -1 :               0.00007293158158
                   +0 :              -0.00002105645796
                   +1 :              -0.00001563110721
                3d
                   -2 :              -0.00000703476904
                   -1 :              -0.00000931190769
                   +0 :              -0.00000463824546
                   +1 :               0.00001191029231
                   +2 :               0.00000449129334
             16 vec=   -12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001564599869
                2s
                   +0 :               0.00010562916576
                3s
                   +0 :              -0.00005393146257
                2p
                   -1 :              -0.00005533241176
                   +0 :               0.00002577117055
                   +1 :              -0.00013987827394
                3p
                   -1 :               0.00001773357634
                   +0 :              -0.00004214522410
                   +1 :               0.00008721936528
                3d
                   -2 :              -0.00000088860768
                   -1 :               0.00000285567872
                   +0 :              -0.00000546169992
                   +1 :               0.00000539098552
                   +2 :               0.00000007951933
             17 vec=    -4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000050498517
                2s
                   +0 :              -0.00003888263572
                3s
                   +0 :              -0.00000732931367
                2p
                   -1 :               0.00014979918485
                   +0 :              -0.00003714357865
                   +1 :               0.00010628841784
                3p
                   -1 :              -0.00009117253644
                   +0 :               0.00001021413789
                   +1 :              -0.00004233666698
                3d
                   -2 :              -0.00000230798203
                   -1 :               0.00000138611122
                   +0 :               0.00000459556457
                   +1 :              -0.00000528605660
                   +2 :              -0.00000609723026
             18 vec=    -4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000864698047
                2s
                   +0 :               0.00008514821980
                3s
                   +0 :              -0.00003704756183
                2p
                   -1 :              -0.00006210887593
                   +0 :               0.00001398404687
                   +1 :               0.00003549529718
                3p
                   -1 :               0.00005818141432
                   +0 :              -0.00001622476196
                   +1 :              -0.00005351579129
                3d
                   -2 :               0.00000110325055
                   -1 :               0.00001017823385
                   +0 :               0.00000458393648
                   +1 :              -0.00000241369202
                   +2 :               0.00000963105982
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 27)  npairs=  14
              1 vec=    -2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006639907077
                2s
                   +0 :               0.00003926974174
                3s
                   +0 :              -0.00030814075380
                2p
                   -1 :               0.00044439485464
                   +0 :              -0.00037947177349
                   +1 :              -0.00031105842764
                3p
                   -1 :              -0.00034919319471
                   +0 :               0.00044041264974
                   +1 :               0.00031754770886
                3d
                   -2 :              -0.00000326244977
                   -1 :               0.00002611962511
                   +0 :               0.00000336860332
                   +1 :              -0.00000902061492
                   +2 :              -0.00000722880984
              2 vec=    -2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005422317957
                2s
                   +0 :               0.00020394541528
                3s
                   +0 :               0.00017308708386
                2p
                   -1 :              -0.00071599484310
                   +0 :               0.00014564330402
                   +1 :               0.00026043572066
                3p
                   -1 :               0.00044710444899
                   +0 :              -0.00008913650785
                   +1 :              -0.00005606803968
                3d
                   -2 :              -0.00000555958576
                   -1 :               0.00000611658347
                   +0 :              -0.00002152652442
                   +1 :               0.00000034662678
                   +2 :              -0.00004225439883
              3 vec=     5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011800745318
                2s
                   +0 :              -0.00132584311868
                3s
                   +0 :               0.00016622241635
                2p
                   -1 :               0.00006516627916
                   +0 :               0.00069655771473
                   +1 :              -0.00054099720853
                3p
                   -1 :              -0.00004095470781
                   +0 :               0.00019082791863
                   +1 :              -0.00006348388938
                3d
                   -2 :              -0.00000436531338
                   -1 :               0.00001762948985
                   +0 :              -0.00004828183185
                   +1 :               0.00007527845161
                   +2 :              -0.00003478607504
              4 vec=     5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00013323356393
                2s
                   +0 :               0.00162857738887
                3s
                   +0 :              -0.00014869017929
                2p
                   -1 :              -0.00013075708711
                   +0 :               0.00102932986588
                   +1 :               0.00080105222292
                3p
                   -1 :               0.00010010510793
                   +0 :               0.00003711644197
                   +1 :              -0.00040496881647
                3d
                   -2 :               0.00002549803932
                   -1 :               0.00000228817251
                   +0 :               0.00008543980786
                   +1 :               0.00002136362571
                   +2 :               0.00001378205557
              5 vec=     5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00006958562617
                2s
                   +0 :              -0.00059819181500
                3s
                   +0 :               0.00016752648986
                2p
                   -1 :              -0.00022952903557
                   +0 :               0.00013460666039
                   +1 :              -0.00019836412528
                3p
                   -1 :               0.00018595179292
                   +0 :               0.00001228774041
                   +1 :              -0.00001289058127
                3d
                   -2 :               0.00000645192178
                   -1 :              -0.00002298540668
                   +0 :               0.00001142660228
                   +1 :               0.00000365376183
                   +2 :              -0.00001291690363
              6 vec=     5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00006684093425
                2s
                   +0 :               0.00078639932648
                3s
                   +0 :              -0.00012313658207
                2p
                   -1 :              -0.00012414027627
                   +0 :               0.00043666377551
                   +1 :               0.00054863768307
                3p
                   -1 :               0.00008043368970
                   +0 :              -0.00013412678106
                   +1 :              -0.00012411286918
                3d
                   -2 :               0.00000239827933
                   -1 :              -0.00000214052607
                   +0 :              -0.00000200048796
                   +1 :               0.00001762594188
                   +2 :               0.00000814663149
              7 vec=    -2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004175376717
                2s
                   +0 :              -0.00061447454497
                3s
                   +0 :               0.00003104992671
                2p
                   -1 :               0.00021111393313
                   +0 :              -0.00000966828545
                   +1 :              -0.00019884973580
                3p
                   -1 :               0.00007113274323
                   +0 :               0.00024214797125
                   +1 :               0.00011314110083
                3d
                   -2 :               0.00000790419805
                   -1 :              -0.00001656682387
                   +0 :              -0.00001555939646
                   +1 :               0.00000751860017
                   +2 :               0.00001205777711
              8 vec=    -2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003491264644
                2s
                   +0 :               0.00043924510096
                3s
                   +0 :              -0.00012304209345
                2p
                   -1 :              -0.00013249887203
                   +0 :               0.00030990086381
                   +1 :               0.00015089683126
                3p
                   -1 :              -0.00006491178288
                   +0 :              -0.00021050355800
                   +1 :               0.00003549340706
                3d
                   -2 :              -0.00000549363414
                   -1 :              -0.00002328074625
                   +0 :              -0.00002205408384
                   +1 :               0.00001423200254
                   +2 :              -0.00000195316090
              9 vec=    -2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000128909634
                2s
                   +0 :              -0.00009756857938
                3s
                   +0 :              -0.00001731375854
                2p
                   -1 :              -0.00018648962838
                   +0 :              -0.00005411913695
                   +1 :              -0.00002967368882
                3p
                   -1 :               0.00008872403834
                   +0 :               0.00008466640179
                   +1 :               0.00008114023113
                3d
                   -2 :               0.00000900616759
                   -1 :              -0.00000110406617
                   +0 :              -0.00000457884787
                   +1 :              -0.00000620643457
                   +2 :              -0.00000796405202
             10 vec=    -2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000105055819
                2s
                   +0 :               0.00001287313072
                3s
                   +0 :               0.00000329132652
                2p
                   -1 :               0.00011717460133
                   +0 :               0.00007129811226
                   +1 :               0.00002412077941
                3p
                   -1 :              -0.00003724206262
                   +0 :              -0.00003316444429
                   +1 :              -0.00002925535486
                3d
                   -2 :              -0.00000264538476
                   -1 :              -0.00000387586295
                   +0 :              -0.00000424564953
                   +1 :              -0.00000331100306
                   +2 :               0.00000230833187
             11 vec=   -10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002995066361
                2s
                   +0 :              -0.00032824538877
                3s
                   +0 :               0.00004895258116
                2p
                   -1 :               0.00005026997747
                   +0 :               0.00017810197510
                   +1 :               0.00020887370513
                3p
                   -1 :              -0.00002178360945
                   +0 :              -0.00005855178589
                   +1 :              -0.00004411638901
                3d
                   -2 :               0.00000079715191
                   -1 :              -0.00000524378341
                   +0 :              -0.00001991895619
                   +1 :              -0.00000425484355
                   +2 :              -0.00000661563145
             12 vec=   -10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000509521283
                2s
                   +0 :               0.00003823654699
                3s
                   +0 :               0.00001245397101
                2p
                   -1 :               0.00011485974320
                   +0 :              -0.00004945303845
                   +1 :              -0.00006635204866
                3p
                   -1 :              -0.00009898805614
                   +0 :               0.00009770397844
                   +1 :              -0.00001920749904
                3d
                   -2 :              -0.00000804313161
                   -1 :              -0.00000179480168
                   +0 :               0.00002004538372
                   +1 :              -0.00000753666292
                   +2 :               0.00001115865818
             13 vec=   -10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00010187984296
                2s
                   +0 :               0.00089692400998
                3s
                   +0 :              -0.00018375156593
                2p
                   -1 :              -0.00006889529796
                   +0 :              -0.00043492111334
                   +1 :               0.00006066505810
                3p
                   -1 :               0.00000251645882
                   +0 :               0.00008626490831
                   +1 :              -0.00007738474703
                3d
                   -2 :              -0.00000245684275
                   -1 :              -0.00000034463130
                   +0 :               0.00003179415346
                   +1 :               0.00002101964602
                   +2 :               0.00000639852733
             14 vec=   -10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000381220330
                2s
                   +0 :               0.00002104929420
                3s
                   +0 :               0.00003736902066
                2p
                   -1 :               0.00001215269327
                   +0 :              -0.00011269848203
                   +1 :              -0.00008464543734
                3p
                   -1 :               0.00002372894040
                   +0 :               0.00008180995745
                   +1 :              -0.00003528077434
                3d
                   -2 :              -0.00000837147376
                   -1 :               0.00000892903634
                   +0 :               0.00000212422341
                   +1 :              -0.00000891324992
                   +2 :               0.00000609267520
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 28)  npairs=  12
              1 vec=    -4.768202     -0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00027839841935
                2s
                   +0 :              -0.00293721867592
                3s
                   +0 :               0.00047233687385
                2p
                   -1 :               0.00113984748239
                   +0 :              -0.01019673034608
                   +1 :              -0.00216879209726
                3p
                   -1 :              -0.00107108931172
                   +0 :              -0.00359403400906
                   +1 :               0.00313185609003
                3d
                   -2 :               0.00002573180669
                   -1 :              -0.00012327471122
                   +0 :              -0.00006758046285
                   +1 :               0.00200471074673
                   +2 :              -0.00037635084151
              2 vec=     3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00189227786726
                2s
                   +0 :               0.01249851938681
                3s
                   +0 :              -0.00542160871872
                2p
                   -1 :              -0.00716784011367
                   +0 :              -0.00033428491024
                   +1 :               0.00405581144779
                3p
                   -1 :               0.00397470795634
                   +0 :              -0.00361270991452
                   +1 :              -0.00219491811921
                3d
                   -2 :              -0.00002926887201
                   -1 :               0.00066027912021
                   +0 :               0.00024511435080
                   +1 :              -0.00011394646925
                   +2 :               0.00033168415149
              3 vec=     3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00153670040367
                2s
                   +0 :              -0.00857563702373
                3s
                   +0 :               0.00421511502389
                2p
                   -1 :              -0.00388224980822
                   +0 :              -0.00661115181611
                   +1 :              -0.00732160472947
                3p
                   -1 :               0.00271965396187
                   +0 :               0.00173868616372
                   +1 :               0.00558530103347
                3d
                   -2 :               0.00037922610829
                   -1 :              -0.00054624993153
                   +0 :              -0.00043894112332
                   +1 :              -0.00075683189348
                   +2 :               0.00009040482371
              4 vec=    -4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00001644529121
                2s
                   +0 :               0.00024907689788
                3s
                   +0 :               0.00009186934370
                2p
                   -1 :              -0.00050510324567
                   +0 :              -0.00057966139432
                   +1 :              -0.00117331952172
                3p
                   -1 :               0.00008421572470
                   +0 :               0.00002766571939
                   +1 :               0.00085994968586
                3d
                   -2 :              -0.00007957804224
                   -1 :               0.00002193769935
                   +0 :              -0.00003704239028
                   +1 :               0.00001264029001
                   +2 :              -0.00002808249755
              5 vec=    -4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00000672293168
                2s
                   +0 :              -0.00086753362332
                3s
                   +0 :              -0.00015824803460
                2p
                   -1 :              -0.00121665748533
                   +0 :               0.00007304599515
                   +1 :               0.00078145900148
                3p
                   -1 :               0.00049774324391
                   +0 :              -0.00052252898576
                   +1 :              -0.00040212914126
                3d
                   -2 :              -0.00004439972411
                   -1 :              -0.00012538175506
                   +0 :              -0.00011780457956
                   +1 :               0.00001304997272
                   +2 :               0.00006146624387
              6 vec=    10.792123      0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00018649949658
                2s
                   +0 :              -0.00087826429458
                3s
                   +0 :               0.00055335835994
                2p
                   -1 :               0.00008054893125
                   +0 :               0.00013482065540
                   +1 :              -0.00079224290888
                3p
                   -1 :              -0.00001320268968
                   +0 :              -0.00045235779645
                   +1 :               0.00084996241214
                3d
                   -2 :              -0.00003492586600
                   -1 :               0.00002284322273
                   +0 :              -0.00002084866434
                   +1 :              -0.00004355518916
                   +2 :               0.00006482729995
              7 vec=   -12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00003234421868
                2s
                   +0 :              -0.00022552976575
                3s
                   +0 :               0.00009983238419
                2p
                   -1 :               0.00022325672135
                   +0 :              -0.00042671458871
                   +1 :              -0.00029263620400
                3p
                   -1 :              -0.00013376264054
                   +0 :               0.00029275822686
                   +1 :               0.00019278077653
                3d
                   -2 :               0.00000558668673
                   -1 :               0.00001322940377
                   +0 :              -0.00000845282689
                   +1 :              -0.00000079575283
                   +2 :               0.00000863954078
              8 vec=   -12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00006437653452
                2s
                   +0 :              -0.00046577493108
                3s
                   +0 :               0.00018891836212
                2p
                   -1 :              -0.00034177350245
                   +0 :              -0.00009198026323
                   +1 :               0.00040386427395
                3p
                   -1 :               0.00021539789774
                   +0 :               0.00001633833128
                   +1 :              -0.00026664274252
                3d
                   -2 :              -0.00001705034098
                   -1 :              -0.00000105727124
                   +0 :               0.00001494610382
                   +1 :              -0.00000820605917
                   +2 :               0.00000279809918
              9 vec=     3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005292866232
                2s
                   +0 :               0.00033909987810
                3s
                   +0 :              -0.00013067750399
                2p
                   -1 :              -0.00034304404130
                   +0 :               0.00014294231478
                   +1 :               0.00000473150060
                3p
                   -1 :               0.00022254967214
                   +0 :              -0.00015670673606
                   +1 :              -0.00002504465801
                3d
                   -2 :               0.00001131713058
                   -1 :               0.00000240380627
                   +0 :               0.00000203272039
                   +1 :              -0.00000671701885
                   +2 :              -0.00000184236116
             10 vec=     3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00000958112321
                2s
                   +0 :              -0.00009086369025
                3s
                   +0 :               0.00001577454461
                2p
                   -1 :              -0.00004891313449
                   +0 :               0.00018254489756
                   +1 :               0.00014101032710
                3p
                   -1 :               0.00002658985128
                   +0 :              -0.00015029843203
                   +1 :              -0.00013504319574
                3d
                   -2 :              -0.00001327212051
                   -1 :               0.00000192323528
                   +0 :               0.00001878940201
                   +1 :              -0.00000785974156
                   +2 :              -0.00000807879552
             11 vec=    10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00003222610783
                2s
                   +0 :              -0.00018907137614
                3s
                   +0 :               0.00014588417854
                2p
                   -1 :               0.00036233981723
                   +0 :              -0.00005714362632
                   +1 :              -0.00000737587204
                3p
                   -1 :              -0.00028519594713
                   +0 :               0.00002857546875
                   +1 :               0.00003708037963
                3d
                   -2 :              -0.00000907854159
                   -1 :               0.00000952404116
                   +0 :              -0.00002427999899
                   +1 :               0.00000927568963
                   +2 :              -0.00000749228648
             12 vec=    10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000638862963
                2s
                   +0 :              -0.00000310861960
                3s
                   +0 :              -0.00000150476519
                2p
                   -1 :               0.00004249665702
                   +0 :               0.00005376755229
                   +1 :              -0.00007031395828
                3p
                   -1 :              -0.00000682402419
                   +0 :              -0.00008440327534
                   +1 :               0.00006346706808
                3d
                   -2 :              -0.00000724034998
                   -1 :               0.00000476172440
                   +0 :               0.00000438843824
                   +1 :              -0.00000391445669
                   +2 :              -0.00000466553266
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 29)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00025793390704
                2s
                   +0 :               0.00284390432559
                3s
                   +0 :              -0.00045244398341
                2p
                   -1 :              -0.02892278690412
                   +0 :               0.87591172266175
                   +1 :               0.01740521484061
                3p
                   -1 :               0.01174710967879
                   +0 :              -0.04009531623769
                   +1 :              -0.00704603637072
                3d
                   -2 :               0.00109625040946
                   -1 :              -0.00225313365138
                   +0 :               0.00008073182102
                   +1 :              -0.00373790533384
                   +2 :              -0.00195049536612
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000176609333
                2s
                   +0 :              -0.00000529691258
                3s
                   +0 :              -0.00001446615020
                2p
                   -1 :              -0.00141340859423
                   +0 :              -0.00022421129063
                   +1 :               0.00082443204000
                3p
                   -1 :               0.00151177372576
                   +0 :               0.00057224834436
                   +1 :              -0.00093592468175
                3d
                   -2 :              -0.00002673181470
                   -1 :              -0.00009880773602
                   +0 :              -0.00000641832216
                   +1 :              -0.00016736844013
                   +2 :               0.00005650016538
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000683423480
                2s
                   +0 :              -0.00041527998123
                3s
                   +0 :              -0.00011591333399
                2p
                   -1 :               0.00053171391871
                   +0 :              -0.00025091217781
                   +1 :              -0.00040661852929
                3p
                   -1 :              -0.00062330638204
                   +0 :               0.00033525272812
                   +1 :               0.00054130988644
                3d
                   -2 :              -0.00002324084711
                   -1 :               0.00008901034611
                   +0 :              -0.00000489291283
                   +1 :              -0.00006184800976
                   +2 :               0.00008699266596
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00007198584785
                2s
                   +0 :              -0.00024351837634
                3s
                   +0 :               0.00028564893956
                2p
                   -1 :               0.00076454205911
                   +0 :              -0.00030720977293
                   +1 :              -0.00037113835003
                3p
                   -1 :              -0.00081142235897
                   +0 :               0.00038361753419
                   +1 :               0.00032990219158
                3d
                   -2 :              -0.00005771835005
                   -1 :              -0.00010200885634
                   +0 :               0.00001199348266
                   +1 :               0.00005824689524
                   +2 :               0.00006356708302
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027609819150
                2s
                   +0 :              -0.00203949255760
                3s
                   +0 :               0.00118534200202
                2p
                   -1 :              -0.00196130872216
                   +0 :               0.00065737413265
                   +1 :              -0.00023791048037
                3p
                   -1 :               0.00192190364863
                   +0 :              -0.00055821492521
                   +1 :              -0.00005873045331
                3d
                   -2 :               0.00000333817278
                   -1 :              -0.00014909149624
                   +0 :              -0.00002031931131
                   +1 :              -0.00007980528139
                   +2 :              -0.00021813458935
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00025862693335
                2s
                   +0 :               0.00196624474221
                3s
                   +0 :              -0.00114170655178
                2p
                   -1 :              -0.00099125517388
                   +0 :               0.00060781605890
                   +1 :               0.00179533496628
                3p
                   -1 :               0.00117848848995
                   +0 :              -0.00046382383833
                   +1 :              -0.00158074090665
                3d
                   -2 :               0.00019464929300
                   -1 :               0.00001654037942
                   +0 :               0.00002719017224
                   +1 :              -0.00015168152241
                   +2 :              -0.00010199303408
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00001533393773
                2s
                   +0 :              -0.00012808354739
                3s
                   +0 :               0.00003504723599
                2p
                   -1 :               0.00005773117621
                   +0 :               0.00066749428456
                   +1 :              -0.00006450813972
                3p
                   -1 :               0.00009744009147
                   +0 :              -0.00037871386468
                   +1 :              -0.00003257924445
                3d
                   -2 :               0.00001543945391
                   -1 :               0.00001186892711
                   +0 :              -0.00000767407136
                   +1 :               0.00002802928237
                   +2 :              -0.00002445494463
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001673840030
                2s
                   +0 :              -0.00016093642349
                3s
                   +0 :               0.00002097536735
                2p
                   -1 :              -0.00003262271401
                   +0 :               0.00004083377646
                   +1 :              -0.00018530617899
                3p
                   -1 :               0.00003557849217
                   +0 :              -0.00003589862702
                   +1 :               0.00025769893915
                3d
                   -2 :               0.00000299989620
                   -1 :               0.00001321949494
                   +0 :               0.00001264255113
                   +1 :              -0.00000702639608
                   +2 :              -0.00001658326358
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001147402105
                2s
                   +0 :               0.00011516517053
                3s
                   +0 :              -0.00001108029266
                2p
                   -1 :               0.00013997970873
                   +0 :               0.00002326678800
                   +1 :               0.00008984514251
                3p
                   -1 :              -0.00019212483873
                   +0 :              -0.00003514433507
                   +1 :              -0.00013953738807
                3d
                   -2 :               0.00001361457703
                   -1 :              -0.00000960585335
                   +0 :              -0.00001112933285
                   +1 :               0.00000660145207
                   +2 :              -0.00001031456643
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002385873541
                2s
                   +0 :              -0.00021771542249
                3s
                   +0 :               0.00001668267364
                2p
                   -1 :               0.00002270948352
                   +0 :              -0.00009005657220
                   +1 :               0.00005887147005
                3p
                   -1 :              -0.00013370973909
                   +0 :               0.00003250963494
                   +1 :               0.00005136333831
                3d
                   -2 :               0.00002366887368
                   -1 :               0.00000279138151
                   +0 :               0.00001273279482
                   +1 :              -0.00000497610853
                   +2 :               0.00001735078410
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002331955422
                2s
                   +0 :               0.00022517691637
                3s
                   +0 :              -0.00001717444834
                2p
                   -1 :              -0.00004829974049
                   +0 :              -0.00011158867968
                   +1 :              -0.00004240439599
                3p
                   -1 :              -0.00009942278126
                   +0 :               0.00004554537314
                   +1 :               0.00010223834556
                3d
                   -2 :              -0.00002706864795
                   -1 :              -0.00000403527226
                   +0 :              -0.00001309696299
                   +1 :              -0.00000020914864
                   +2 :              -0.00001059890349
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003301069517
                2s
                   +0 :              -0.00022235828752
                3s
                   +0 :               0.00007564286402
                2p
                   -1 :              -0.00003204678465
                   +0 :               0.00009434749973
                   +1 :              -0.00003186927009
                3p
                   -1 :              -0.00001616804855
                   +0 :              -0.00010431693984
                   +1 :              -0.00001013130762
                3d
                   -2 :              -0.00000377934637
                   -1 :              -0.00000530228663
                   +0 :               0.00001141206819
                   +1 :              -0.00000747617927
                   +2 :               0.00000196046353
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003754381510
                2s
                   +0 :               0.00025356903399
                3s
                   +0 :              -0.00008346247117
                2p
                   -1 :               0.00004347694488
                   +0 :               0.00011587873450
                   +1 :               0.00005478211966
                3p
                   -1 :              -0.00003825140565
                   +0 :              -0.00010859581890
                   +1 :               0.00002237323784
                3d
                   -2 :              -0.00000257381309
                   -1 :              -0.00000462845422
                   +0 :              -0.00001154854763
                   +1 :              -0.00000867485722
                   +2 :               0.00000512133092
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000263672551
                2s
                   +0 :              -0.00003096421411
                3s
                   +0 :               0.00000317858746
                2p
                   -1 :               0.00001659398296
                   +0 :               0.00000887860670
                   +1 :              -0.00000129791653
                3p
                   -1 :              -0.00001050928232
                   +0 :              -0.00002324771672
                   +1 :               0.00000900748798
                3d
                   -2 :               0.00000174738157
                   -1 :               0.00000002329742
                   +0 :               0.00000012492031
                   +1 :               0.00000107109811
                   +2 :              -0.00000370511040
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000836286295
                2s
                   +0 :               0.00004770628007
                3s
                   +0 :              -0.00002634321212
                2p
                   -1 :              -0.00001855968359
                   +0 :               0.00003643457119
                   +1 :              -0.00001191533669
                3p
                   -1 :               0.00001051501547
                   +0 :              -0.00001631661214
                   +1 :               0.00002283245394
                3d
                   -2 :               0.00000169889845
                   -1 :              -0.00000186472576
                   +0 :               0.00000334945851
                   +1 :               0.00000071490548
                   +2 :              -0.00000291419064
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000277520785
                2s
                   +0 :              -0.00000334207076
                3s
                   +0 :               0.00001194150659
                2p
                   -1 :              -0.00001611382517
                   +0 :              -0.00000975449856
                   +1 :               0.00000179515540
                3p
                   -1 :               0.00000018264911
                   +0 :              -0.00000527746662
                   +1 :              -0.00000814052464
                3d
                   -2 :               0.00000093212395
                   -1 :               0.00000159058599
                   +0 :              -0.00000359593452
                   +1 :              -0.00000216530800
                   +2 :              -0.00000293032726
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000410980572
                2s
                   +0 :              -0.00005895113178
                3s
                   +0 :               0.00000428130933
                2p
                   -1 :              -0.00000470722798
                   +0 :              -0.00002476836966
                   +1 :              -0.00000608250960
                3p
                   -1 :              -0.00001946544400
                   +0 :               0.00000728744410
                   +1 :              -0.00000059848666
                3d
                   -2 :               0.00000009270036
                   -1 :               0.00000018924209
                   +0 :              -0.00000133981147
                   +1 :               0.00000125940545
                   +2 :               0.00000450575412
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000726509499
                2s
                   +0 :               0.00007645795994
                3s
                   +0 :              -0.00001582692792
                2p
                   -1 :              -0.00000307128190
                   +0 :               0.00002227242803
                   +1 :               0.00001484866888
                3p
                   -1 :              -0.00001036214493
                   +0 :              -0.00000690628979
                   +1 :               0.00001044537174
                3d
                   -2 :              -0.00000325831165
                   -1 :              -0.00000117252909
                   +0 :               0.00000089758970
                   +1 :              -0.00000027626572
                   +2 :               0.00000075296140
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000072968813
                2s
                   +0 :               0.00000177385368
                3s
                   +0 :              -0.00000431516543
                2p
                   -1 :              -0.00002095587575
                   +0 :               0.00004066480158
                   +1 :               0.00002115933650
                3p
                   -1 :               0.00001414765538
                   +0 :              -0.00004613025340
                   +1 :              -0.00001736701071
                3d
                   -2 :               0.00000078818117
                   -1 :              -0.00000221065785
                   +0 :               0.00000042850004
                   +1 :              -0.00000586318040
                   +2 :              -0.00000181420095
WF             site_B          number of pairs
WF( 55)=[O_17_2pz]  to site O ( 30)  npairs=  12
              1 vec=    -2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00030194879830
                2s
                   +0 :               0.00363786009376
                3s
                   +0 :              -0.00043670080316
                2p
                   -1 :               0.00177949028465
                   +0 :              -0.01052858499579
                   +1 :              -0.00062988618642
                3p
                   -1 :              -0.00333460940309
                   +0 :              -0.00331975534945
                   +1 :              -0.00034423028181
                3d
                   -2 :               0.00034352431870
                   -1 :               0.00181238581999
                   +0 :               0.00006535561365
                   +1 :               0.00089076800532
                   +2 :              -0.00018985706795
              2 vec=    -2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00177314965467
                2s
                   +0 :              -0.01147997166332
                3s
                   +0 :               0.00509476188731
                2p
                   -1 :              -0.00634932437713
                   +0 :              -0.00087834636637
                   +1 :               0.00366891415226
                3p
                   -1 :               0.00377176191305
                   +0 :              -0.00320942870717
                   +1 :              -0.00221038445513
                3d
                   -2 :              -0.00026219488458
                   -1 :              -0.00040931633964
                   +0 :              -0.00027309383429
                   +1 :               0.00046441253707
                   +2 :               0.00016117801067
              3 vec=     5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00155634424980
                2s
                   +0 :               0.00897002417972
                3s
                   +0 :              -0.00422692329286
                2p
                   -1 :               0.00474336436035
                   +0 :              -0.00623024139238
                   +1 :               0.00750095089310
                3p
                   -1 :              -0.00367734626630
                   +0 :               0.00148627646308
                   +1 :              -0.00525111767489
                3d
                   -2 :              -0.00029345066983
                   -1 :              -0.00036497913493
                   +0 :               0.00043619775277
                   +1 :              -0.00086209371845
                   +2 :              -0.00026850921723
              4 vec=   -10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00002086213978
                2s
                   +0 :              -0.00060396326068
                3s
                   +0 :              -0.00004319611665
                2p
                   -1 :               0.00095773342717
                   +0 :              -0.00051960331848
                   +1 :               0.00102973841277
                3p
                   -1 :              -0.00080097137382
                   +0 :              -0.00002795943820
                   +1 :              -0.00052963735909
                3d
                   -2 :               0.00006114946730
                   -1 :               0.00000815822505
                   +0 :               0.00002315005523
                   +1 :               0.00004098209614
                   +2 :               0.00005646285965
              5 vec=     5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00003879527242
                2s
                   +0 :               0.00051217814619
                3s
                   +0 :               0.00021214743356
                2p
                   -1 :              -0.00136700780158
                   +0 :               0.00013382621100
                   +1 :               0.00073597327893
                3p
                   -1 :               0.00062717387858
                   +0 :              -0.00057724087691
                   +1 :              -0.00031389228827
                3d
                   -2 :              -0.00002097016854
                   -1 :               0.00006634268284
                   +0 :               0.00010657846154
                   +1 :              -0.00010602452474
                   +2 :               0.00005914778225
              6 vec=     5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00016441435104
                2s
                   +0 :               0.00071529099123
                3s
                   +0 :              -0.00049165681047
                2p
                   -1 :               0.00070645456634
                   +0 :               0.00017970394715
                   +1 :               0.00035926101019
                3p
                   -1 :              -0.00070784133562
                   +0 :              -0.00050031747923
                   +1 :              -0.00041270402833
                3d
                   -2 :              -0.00003698497611
                   -1 :              -0.00004613105030
                   +0 :               0.00001934428918
                   +1 :               0.00000010714447
                   +2 :               0.00006005182128
              7 vec=   -10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00003874194690
                2s
                   +0 :               0.00023956393836
                3s
                   +0 :              -0.00013732795975
                2p
                   -1 :               0.00023374475942
                   +0 :              -0.00033554363547
                   +1 :              -0.00003786580672
                3p
                   -1 :              -0.00014357283996
                   +0 :               0.00024683087514
                   +1 :               0.00001124697883
                3d
                   -2 :              -0.00001188311187
                   -1 :              -0.00000068696437
                   +0 :               0.00001118079171
                   +1 :               0.00001348336523
                   +2 :               0.00000014197483
              8 vec=    -2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00006036073027
                2s
                   +0 :               0.00041661773368
                3s
                   +0 :              -0.00018712088433
                2p
                   -1 :              -0.00048007101828
                   +0 :              -0.00015044568888
                   +1 :               0.00011450932092
                3p
                   -1 :               0.00034708495106
                   +0 :               0.00004033749158
                   +1 :              -0.00007753475104
                3d
                   -2 :               0.00000834412874
                   -1 :              -0.00000792996113
                   +0 :              -0.00001686856021
                   +1 :              -0.00000267146888
                   +2 :               0.00001895816624
              9 vec=   -10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005609554672
                2s
                   +0 :              -0.00038195688210
                3s
                   +0 :               0.00012999790069
                2p
                   -1 :              -0.00018631227990
                   +0 :               0.00014544712830
                   +1 :               0.00036821483009
                3p
                   -1 :               0.00011915868415
                   +0 :              -0.00013057086404
                   +1 :              -0.00020699586333
                3d
                   -2 :               0.00000154665153
                   -1 :              -0.00000375619623
                   +0 :              -0.00000335405255
                   +1 :              -0.00000162584875
                   +2 :              -0.00001300625358
             10 vec=    13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00001520838707
                2s
                   +0 :               0.00011633965420
                3s
                   +0 :              -0.00002875289788
                2p
                   -1 :              -0.00018429622725
                   +0 :               0.00012216608931
                   +1 :              -0.00004658225631
                3p
                   -1 :               0.00016574479051
                   +0 :              -0.00012294785090
                   +1 :               0.00007402083581
                3d
                   -2 :               0.00001427213406
                   -1 :              -0.00000904516541
                   +0 :              -0.00001879308775
                   +1 :              -0.00000322681994
                   +2 :               0.00000767957113
             11 vec=    -2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00001184885378
                2s
                   +0 :               0.00003269591602
                3s
                   +0 :              -0.00009522928569
                2p
                   -1 :               0.00014804694205
                   +0 :              -0.00006010907221
                   +1 :              -0.00031923869842
                3p
                   -1 :              -0.00017164289023
                   +0 :               0.00003427074586
                   +1 :               0.00022077682662
                3d
                   -2 :               0.00000826240605
                   -1 :               0.00000326071562
                   +0 :               0.00002265362637
                   +1 :               0.00001627922785
                   +2 :               0.00000592043615
             12 vec=    13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00001036848603
                2s
                   +0 :               0.00001648177377
                3s
                   +0 :              -0.00001027215634
                2p
                   -1 :               0.00003632859522
                   +0 :               0.00004806112372
                   +1 :               0.00000017844721
                3p
                   -1 :              -0.00001456378345
                   +0 :              -0.00008085491095
                   +1 :              -0.00003415690436
                3d
                   -2 :               0.00000808736627
                   -1 :              -0.00000810487047
                   +0 :              -0.00000396468343
                   +1 :               0.00000190947811
                   +2 :               0.00000402918170
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al(  1)  npairs=  14
              1 vec=     2.802674     -1.376461     -1.580534   |vec|=    3.499674
                2s
                   +0 :               0.03997855826854
                2p
                   -1 :              -0.02102463578016
                   +0 :              -0.02551775876692
                   +1 :               0.03179066610391
                3s
                   +0 :               0.09909109475469
                4s
                   +0 :               0.01245273068551
                3p
                   -1 :              -0.03425999257929
                   +0 :              -0.04606273235865
                   +1 :               0.05541641410449
                4p
                   -1 :              -0.01318679856601
                   +0 :              -0.01190085586263
                   +1 :               0.01580818706338
                3d
                   -2 :              -0.03659278598075
                   -1 :               0.03134139194733
                   +0 :               0.00375160477465
                   +1 :              -0.04430646593599
                   +2 :               0.01026378145789
              2 vec=    -4.977489      3.115418     -1.580534   |vec|=    6.081062
                2s
                   +0 :               0.00419534240482
                2p
                   -1 :               0.00190934776931
                   +0 :              -0.00085756763118
                   +1 :              -0.00315511533019
                3s
                   +0 :              -0.00803494915358
                4s
                   +0 :               0.00610027996614
                3p
                   -1 :              -0.00402501845870
                   +0 :               0.00307683981055
                   +1 :               0.01052949188352
                4p
                   -1 :               0.00220986313796
                   +0 :              -0.00130980144875
                   +1 :              -0.00387042719712
                3d
                   -2 :               0.00084509413675
                   -1 :               0.00058411137182
                   +0 :               0.00231641145623
                   +1 :              -0.00165288007546
                   +2 :              -0.00361132508327
              3 vec=    -4.977489     -5.868340     -1.580534   |vec|=    7.855629
                2s
                   +0 :               0.00018942436123
                2p
                   -1 :              -0.00059815559653
                   +0 :               0.00052844343859
                   +1 :              -0.00007908344957
                3s
                   +0 :              -0.00653093359659
                4s
                   +0 :               0.00026268435449
                3p
                   -1 :              -0.00068533236336
                   +0 :               0.00167872187767
                   +1 :               0.00371112378828
                4p
                   -1 :              -0.00027563114823
                   +0 :               0.00040735477784
                   +1 :              -0.00009234128861
                3d
                   -2 :               0.00055289593037
                   -1 :               0.00053384904582
                   +0 :              -0.00095957008845
                   +1 :              -0.00102744056270
                   +2 :              -0.00207263022330
              4 vec=     2.802674      7.607297     -1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00001718396042
                2p
                   -1 :               0.00036115545825
                   +0 :              -0.00025862343844
                   +1 :               0.00018917183704
                3s
                   +0 :               0.00459690912127
                4s
                   +0 :               0.00000382366531
                3p
                   -1 :               0.00111153609850
                   +0 :              -0.00217842797673
                   +1 :              -0.00321661170149
                4p
                   -1 :               0.00061568118890
                   +0 :              -0.00003508937715
                   +1 :               0.00020953434022
                3d
                   -2 :              -0.00109501562282
                   -1 :              -0.00167827382912
                   +0 :               0.00038571078532
                   +1 :               0.00086147101986
                   +2 :              -0.00014759900120
              5 vec=     2.802674    -10.360219     -1.580534   |vec|=   10.848374
                2s
                   +0 :              -0.00026318195762
                2p
                   -1 :               0.00034230738829
                   +0 :              -0.00023054321376
                   +1 :              -0.00020968098723
                3s
                   +0 :               0.00000333555922
                4s
                   +0 :              -0.00015958173219
                3p
                   -1 :              -0.00123533985356
                   +0 :               0.00108803611409
                   +1 :               0.00004554855549
                4p
                   -1 :               0.00020026224112
                   +0 :              -0.00007399346413
                   +1 :              -0.00026177443289
                3d
                   -2 :              -0.00067341681183
                   -1 :               0.00002467604154
                   +0 :              -0.00001423917930
                   +1 :               0.00031868702979
                   +2 :              -0.00044074702831
              6 vec=    10.582837      3.115418     -1.580534   |vec|=   11.144521
                2s
                   +0 :              -0.00013968569180
                2p
                   -1 :              -0.00029036955108
                   +0 :               0.00013511789484
                   +1 :              -0.00003827418006
                3s
                   +0 :               0.00198782125635
                4s
                   +0 :              -0.00098445346335
                3p
                   -1 :               0.00193757165977
                   +0 :              -0.00105070318259
                   +1 :               0.00143783044104
                4p
                   -1 :              -0.00057722041593
                   +0 :               0.00022509646287
                   +1 :              -0.00045877831153
                3d
                   -2 :               0.00086540512659
                   -1 :              -0.00028943494883
                   +0 :              -0.00021905207053
                   +1 :              -0.00046950296461
                   +2 :              -0.00034010156834
              7 vec=    10.582837     -5.868340     -1.580534   |vec|=   12.203767
                2s
                   +0 :              -0.00018942940047
                2p
                   -1 :              -0.00001260071364
                   +0 :               0.00013085746931
                   +1 :              -0.00017699878654
                3s
                   +0 :               0.00080138487246
                4s
                   +0 :              -0.00001301382252
                3p
                   -1 :               0.00008048491908
                   +0 :              -0.00082110379078
                   +1 :               0.00111287463913
                4p
                   -1 :              -0.00013175769130
                   +0 :               0.00006473189112
                   +1 :              -0.00027031810307
                3d
                   -2 :              -0.00004483978361
                   -1 :               0.00012145951574
                   +0 :              -0.00010946451135
                   +1 :              -0.00010976182845
                   +2 :               0.00022995524001
              8 vec=   -12.757651     -1.376461     -1.580534   |vec|=   12.928666
                2s
                   +0 :               0.00020448797745
                2p
                   -1 :               0.00014587135455
                   +0 :               0.00018219816313
                   +1 :               0.00014740742942
                3s
                   +0 :              -0.00265677273070
                4s
                   +0 :               0.00032505048616
                3p
                   -1 :               0.00090448346934
                   +0 :               0.00081179220228
                   +1 :               0.00004657729855
                4p
                   -1 :               0.00014157965802
                   +0 :               0.00002367829464
                   +1 :               0.00010891767737
                3d
                   -2 :              -0.00026613324513
                   -1 :              -0.00064150248062
                   +0 :              -0.00029088292368
                   +1 :              -0.00023619353533
                   +2 :               0.00051459271185
              9 vec=    -4.977489     12.099176     -1.580534   |vec|=   13.178146
                2s
                   +0 :              -0.00015040721892
                2p
                   -1 :              -0.00005706601057
                   +0 :               0.00002690224511
                   +1 :              -0.00003811030870
                3s
                   +0 :              -0.00042459208130
                4s
                   +0 :              -0.00005956514794
                3p
                   -1 :              -0.00036053617589
                   +0 :               0.00052040967069
                   +1 :               0.00004126364204
                4p
                   -1 :              -0.00002021113658
                   +0 :              -0.00002901888558
                   +1 :              -0.00003417299713
                3d
                   -2 :              -0.00000660168312
                   -1 :               0.00018382982623
                   +0 :              -0.00005702464187
                   +1 :               0.00001109052107
                   +2 :               0.00015068062137
             10 vec=   -12.757651      7.607297     -1.580534   |vec|=   14.937427
                2s
                   +0 :               0.00014064035796
                2p
                   -1 :               0.00000298233511
                   +0 :               0.00000075509323
                   +1 :              -0.00005323982019
                3s
                   +0 :              -0.00087701463984
                4s
                   +0 :               0.00025269499884
                3p
                   -1 :              -0.00027821726165
                   +0 :               0.00019784334538
                   +1 :               0.00036607224462
                4p
                   -1 :               0.00007225804074
                   +0 :               0.00000719324103
                   +1 :              -0.00011370472826
                3d
                   -2 :              -0.00000142783053
                   -1 :               0.00003664866280
                   +0 :              -0.00003442185734
                   +1 :               0.00001386541867
                   +2 :               0.00000480476097
             11 vec=    -4.977489    -14.852098     -1.580534   |vec|=   15.743516
                2s
                   +0 :               0.00010995590344
                2p
                   -1 :              -0.00006547064792
                   +0 :              -0.00001896754420
                   +1 :              -0.00004907830344
                3s
                   +0 :              -0.00038152632166
                4s
                   +0 :               0.00017260839578
                3p
                   -1 :               0.00034879354219
                   +0 :               0.00011909038098
                   +1 :               0.00016131714844
                4p
                   -1 :              -0.00009299707359
                   +0 :              -0.00003159312009
                   +1 :              -0.00002736292543
                3d
                   -2 :              -0.00000494463979
                   -1 :              -0.00006828800953
                   +0 :               0.00004112491360
                   +1 :              -0.00001060720172
                   +2 :               0.00006220646363
             12 vec=    10.582837     12.099176     -1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00005412044289
                2p
                   -1 :              -0.00001839420487
                   +0 :              -0.00000880904423
                   +1 :               0.00002659722300
                3s
                   +0 :               0.00028169886136
                4s
                   +0 :              -0.00002535371492
                3p
                   -1 :               0.00011721413049
                   +0 :              -0.00003902798234
                   +1 :              -0.00025050610203
                4p
                   -1 :              -0.00000625583377
                   +0 :               0.00000165099918
                   +1 :               0.00007662024032
                3d
                   -2 :              -0.00003795556514
                   -1 :              -0.00004070059417
                   +0 :               0.00001960659688
                   +1 :               0.00004268829570
                   +2 :              -0.00007147953798
             13 vec=   -12.757651    -10.360219     -1.580534   |vec|=   16.510297
                2s
                   +0 :               0.00005348180265
                2p
                   -1 :               0.00000736651684
                   +0 :              -0.00004041693185
                   +1 :              -0.00003150676249
                3s
                   +0 :              -0.00038521854407
                4s
                   +0 :               0.00003402575860
                3p
                   -1 :              -0.00000454208433
                   +0 :               0.00031409417231
                   +1 :               0.00023419795439
                4p
                   -1 :               0.00000560322517
                   +0 :              -0.00003604563373
                   +1 :              -0.00002686154294
                3d
                   -2 :              -0.00000993616062
                   -1 :               0.00000036380643
                   +0 :              -0.00001314845502
                   +1 :              -0.00013061907557
                   +2 :              -0.00004419096072
             14 vec=     2.802674     16.591055     -1.580534   |vec|=   16.900182
                2s
                   +0 :               0.00000986471420
                2p
                   -1 :              -0.00000262958105
                   +0 :              -0.00000758853060
                   +1 :              -0.00002364777726
                3s
                   +0 :              -0.00000360281791
                4s
                   +0 :              -0.00001017977885
                3p
                   -1 :               0.00004780191470
                   +0 :               0.00002798077060
                   +1 :               0.00015361836236
                4p
                   -1 :              -0.00001927004963
                   +0 :              -0.00001233154574
                   +1 :              -0.00002171684681
                3d
                   -2 :               0.00004471122597
                   -1 :               0.00000847711746
                   +0 :              -0.00000197620667
                   +1 :              -0.00004444693994
                   +2 :              -0.00001108044393
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al(  2)  npairs=  14
              1 vec=     2.802674     -1.376461      5.671791   |vec|=    6.474477
                2s
                   +0 :              -0.00193821194438
                2p
                   -1 :               0.00041747472500
                   +0 :              -0.00143670402430
                   +1 :              -0.00054227117116
                3s
                   +0 :               0.00508154473400
                4s
                   +0 :              -0.00285233295979
                3p
                   -1 :              -0.00200421731829
                   +0 :               0.00951404965539
                   +1 :               0.00142987533651
                4p
                   -1 :               0.00039081660626
                   +0 :              -0.00404413788935
                   +1 :              -0.00001518820566
                3d
                   -2 :              -0.00056862116793
                   -1 :               0.00004792171413
                   +0 :               0.00294369603666
                   +1 :               0.00155236582373
                   +2 :               0.00144655229742
              2 vec=    -4.977489      3.115418      5.671791   |vec|=    8.163972
                2s
                   +0 :              -0.00004598713513
                2p
                   -1 :              -0.00027573712682
                   +0 :               0.00077791129571
                   +1 :              -0.00006644477668
                3s
                   +0 :              -0.00412479254370
                4s
                   +0 :              -0.00061055126634
                3p
                   -1 :               0.00131143349875
                   +0 :              -0.00248046563480
                   +1 :               0.00323371639220
                4p
                   -1 :              -0.00093845598093
                   +0 :               0.00090813029094
                   +1 :               0.00006301631615
                3d
                   -2 :               0.00053625286657
                   -1 :               0.00051112308698
                   +0 :               0.00135807722964
                   +1 :               0.00027947826716
                   +2 :              -0.00168988898132
              3 vec=    -4.977489     -5.868340      5.671791   |vec|=    9.559395
                2s
                   +0 :               0.00004134385606
                2p
                   -1 :              -0.00045041369607
                   +0 :              -0.00003364373160
                   +1 :              -0.00075438544152
                3s
                   +0 :              -0.00129425154739
                4s
                   +0 :               0.00076857746411
                3p
                   -1 :               0.00200455855755
                   +0 :              -0.00010729517823
                   +1 :               0.00521936726740
                4p
                   -1 :              -0.00056494084690
                   +0 :               0.00002977907623
                   +1 :              -0.00163526667930
                3d
                   -2 :              -0.00074364586917
                   -1 :               0.00022409984940
                   +0 :              -0.00008641881275
                   +1 :               0.00083593909515
                   +2 :               0.00015678411499
              4 vec=     2.802674      7.607297      5.671791   |vec|=    9.894198
                2s
                   +0 :               0.00114890808376
                2p
                   -1 :               0.00049781376887
                   +0 :               0.00033937466844
                   +1 :               0.00043809825391
                3s
                   +0 :              -0.00343778789480
                4s
                   +0 :               0.00113926608550
                3p
                   -1 :              -0.00235641075928
                   +0 :              -0.00110164281868
                   +1 :              -0.00219794057079
                4p
                   -1 :               0.00081178773154
                   +0 :               0.00012543676895
                   +1 :               0.00058159834347
                3d
                   -2 :              -0.00050316283881
                   -1 :              -0.00030527377818
                   +0 :               0.00020424110063
                   +1 :              -0.00046462186885
                   +2 :              -0.00029348460310
              5 vec=     2.802674    -10.360219      5.671791   |vec|=   12.139125
                2s
                   +0 :               0.00010407208759
                2p
                   -1 :              -0.00004919428907
                   +0 :              -0.00005175081566
                   +1 :              -0.00012920032559
                3s
                   +0 :              -0.00008617692797
                4s
                   +0 :              -0.00009399587446
                3p
                   -1 :              -0.00005043332482
                   +0 :              -0.00006304477032
                   +1 :               0.00089307632345
                4p
                   -1 :               0.00012440633830
                   +0 :               0.00004188166529
                   +1 :              -0.00031316305888
                3d
                   -2 :              -0.00019176370671
                   -1 :               0.00010106341901
                   +0 :              -0.00002852086247
                   +1 :               0.00012447576013
                   +2 :               0.00000702202405
              6 vec=    10.582837      3.115418      5.671791   |vec|=   12.404494
                2s
                   +0 :               0.00010959132496
                2p
                   -1 :              -0.00009428657429
                   +0 :               0.00002305074522
                   +1 :               0.00013916798280
                3s
                   +0 :               0.00021127171741
                4s
                   +0 :               0.00019097672698
                3p
                   -1 :               0.00095919270603
                   +0 :              -0.00002492668043
                   +1 :              -0.00019833988670
                4p
                   -1 :              -0.00015158382543
                   +0 :               0.00001794639098
                   +1 :               0.00019347717605
                3d
                   -2 :               0.00020844547567
                   -1 :               0.00009161476314
                   +0 :              -0.00009362503338
                   +1 :              -0.00011817463994
                   +2 :              -0.00004219888670
              7 vec=    10.582837     -5.868340      5.671791   |vec|=   13.364246
                2s
                   +0 :               0.00018607186369
                2p
                   -1 :               0.00001653813652
                   +0 :               0.00001265045373
                   +1 :               0.00002880180435
                3s
                   +0 :              -0.00059701841430
                4s
                   +0 :               0.00018676934803
                3p
                   -1 :              -0.00005283165371
                   +0 :              -0.00006132437346
                   +1 :              -0.00029187776244
                4p
                   -1 :              -0.00002358745889
                   +0 :              -0.00005205464634
                   +1 :               0.00010349270038
                3d
                   -2 :              -0.00010083426167
                   -1 :               0.00006859396812
                   +0 :               0.00009437871302
                   +1 :               0.00003598166555
                   +2 :               0.00000582636015
              8 vec=   -12.757651     -1.376461      5.671791   |vec|=   14.029310
                2s
                   +0 :              -0.00024459654527
                2p
                   -1 :              -0.00001603062899
                   +0 :              -0.00006387137901
                   +1 :               0.00014557367907
                3s
                   +0 :               0.00031369027442
                4s
                   +0 :              -0.00000917845597
                3p
                   -1 :              -0.00011997550591
                   +0 :               0.00022116244037
                   +1 :              -0.00029521890128
                4p
                   -1 :               0.00002951293931
                   +0 :              -0.00005256526526
                   +1 :               0.00000383475874
                3d
                   -2 :               0.00003614800282
                   -1 :              -0.00002371013165
                   +0 :              -0.00002738234211
                   +1 :              -0.00018249151039
                   +2 :               0.00004938378228
              9 vec=    -4.977489     12.099176      5.671791   |vec|=   14.259546
                2s
                   +0 :               0.00007330188561
                2p
                   -1 :              -0.00001401565223
                   +0 :              -0.00001360500719
                   +1 :               0.00005156828019
                3s
                   +0 :              -0.00038896035656
                4s
                   +0 :               0.00017955439510
                3p
                   -1 :              -0.00005358045716
                   +0 :               0.00004240195557
                   +1 :              -0.00033919998272
                4p
                   -1 :               0.00007091131927
                   +0 :               0.00003594673769
                   +1 :               0.00007566081688
                3d
                   -2 :              -0.00015672942484
                   -1 :               0.00010612054684
                   +0 :              -0.00000514523229
                   +1 :              -0.00000814892717
                   +2 :              -0.00003008195746
             10 vec=   -12.757651      7.607297      5.671791   |vec|=   15.899618
                2s
                   +0 :              -0.00011817316800
                2p
                   -1 :              -0.00002826438600
                   +0 :               0.00002211269203
                   +1 :               0.00009617595312
                3s
                   +0 :               0.00032648834538
                4s
                   +0 :              -0.00013763568471
                3p
                   -1 :               0.00011577596819
                   +0 :              -0.00021159688502
                   +1 :              -0.00044536808929
                4p
                   -1 :              -0.00002149482252
                   +0 :               0.00008973112400
                   +1 :               0.00011827349179
                3d
                   -2 :              -0.00004925411959
                   -1 :              -0.00001349739880
                   +0 :              -0.00004958116911
                   +1 :              -0.00003324705133
                   +2 :               0.00006966956356
             11 vec=    -4.977489    -14.852098      5.671791   |vec|=   16.659215
                2s
                   +0 :              -0.00002568825097
                2p
                   -1 :               0.00005571634014
                   +0 :              -0.00005415436144
                   +1 :               0.00000181222994
                3s
                   +0 :               0.00005071900205
                4s
                   +0 :               0.00000684626064
                3p
                   -1 :              -0.00024345902843
                   +0 :               0.00026979311335
                   +1 :               0.00001164497103
                4p
                   -1 :               0.00004553783480
                   +0 :              -0.00004325930697
                   +1 :              -0.00001338167265
                3d
                   -2 :               0.00001709491509
                   -1 :              -0.00010126257726
                   +0 :               0.00000335258549
                   +1 :              -0.00002395597693
                   +2 :              -0.00007865197493
             12 vec=    10.582837     12.099176      5.671791   |vec|=   17.045694
                2s
                   +0 :               0.00004603590469
                2p
                   -1 :              -0.00001123628053
                   +0 :               0.00001211976325
                   +1 :               0.00005045157910
                3s
                   +0 :              -0.00005438699583
                4s
                   +0 :               0.00005677656142
                3p
                   -1 :               0.00007358498343
                   +0 :              -0.00001516012325
                   +1 :              -0.00022263967381
                4p
                   -1 :              -0.00001687394673
                   +0 :               0.00000557821742
                   +1 :               0.00007314400683
                3d
                   -2 :              -0.00001085977738
                   -1 :               0.00000239137567
                   +0 :               0.00001584822258
                   +1 :              -0.00002793497941
                   +2 :              -0.00001283118686
             13 vec=   -12.757651    -10.360219      5.671791   |vec|=   17.385656
                2s
                   +0 :               0.00000478041784
                2p
                   -1 :              -0.00001234733479
                   +0 :              -0.00000075579378
                   +1 :              -0.00001967050799
                3s
                   +0 :              -0.00010586961977
                4s
                   +0 :               0.00006699058404
                3p
                   -1 :               0.00009020978985
                   +0 :              -0.00004190339369
                   +1 :               0.00012062132320
                4p
                   -1 :              -0.00002561577311
                   +0 :               0.00002569290428
                   +1 :              -0.00005579345642
                3d
                   -2 :              -0.00000572115981
                   -1 :               0.00001246592606
                   +0 :              -0.00003141362591
                   +1 :               0.00000300162292
                   +2 :              -0.00000831817303
             14 vec=     2.802674     16.591055      5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00001202135246
                2p
                   -1 :               0.00000122139436
                   +0 :               0.00000043550573
                   +1 :              -0.00001074118493
                3s
                   +0 :              -0.00000772998020
                4s
                   +0 :               0.00001565879518
                3p
                   -1 :              -0.00004575173279
                   +0 :              -0.00001403201618
                   +1 :               0.00002166926009
                4p
                   -1 :               0.00002370006718
                   +0 :               0.00000929491128
                   +1 :              -0.00000457955327
                3d
                   -2 :              -0.00003481613186
                   -1 :               0.00000347765713
                   +0 :               0.00000516588421
                   +1 :              -0.00000674794265
                   +2 :               0.00000499779682
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Cr(  3)  npairs=  13
              1 vec=     2.802674     -1.376461     -6.601980   |vec|=    7.303134
                3s
                   +0 :               0.00304418807868
                3p
                   -1 :              -0.00015664089484
                   +0 :              -0.00271074762490
                   +1 :               0.00062125712325
                4s
                   +0 :              -0.00531644220581
                5s
                   +0 :               0.00106582514876
                3d
                   -2 :               0.00012664533073
                   -1 :              -0.00188397158518
                   +0 :               0.00257901392816
                   +1 :              -0.00046005706595
                   +2 :               0.00156993142280
                4d
                   -2 :              -0.00000696757578
                   -1 :              -0.00011797489981
                   +0 :              -0.00023776720990
                   +1 :              -0.00045461778213
                   +2 :              -0.00049605396491
                4p
                   -1 :               0.00147729847339
                   +0 :               0.00105035312939
                   +1 :              -0.00020068348032
              2 vec=    -4.977489      3.115418     -6.601980   |vec|=    8.835573
                3s
                   +0 :              -0.00088370381740
                3p
                   -1 :               0.00019742637833
                   +0 :               0.00010566739237
                   +1 :              -0.00000744790649
                4s
                   +0 :               0.00683750959509
                5s
                   +0 :               0.00000512597763
                3d
                   -2 :              -0.00214118463041
                   -1 :              -0.00095425207167
                   +0 :              -0.00105635424205
                   +1 :               0.00246062539813
                   +2 :               0.00181746796372
                4d
                   -2 :               0.00009085228235
                   -1 :              -0.00027478977617
                   +0 :               0.00045893262662
                   +1 :               0.00082373917367
                   +2 :               0.00088633193443
                4p
                   -1 :               0.00060784951079
                   +0 :              -0.00317533491655
                   +1 :              -0.00208011289829
              3 vec=    -4.977489     -5.868340     -6.601980   |vec|=   10.138982
                3s
                   +0 :              -0.00114486459710
                3p
                   -1 :               0.00020356237775
                   +0 :               0.00001444124918
                   +1 :               0.00053724607490
                4s
                   +0 :               0.00383882508125
                5s
                   +0 :              -0.00088274197250
                3d
                   -2 :              -0.00145624290212
                   -1 :               0.00008669706328
                   +0 :              -0.00001422712649
                   +1 :              -0.00059369025879
                   +2 :               0.00013919645578
                4d
                   -2 :               0.00112584402145
                   -1 :               0.00090800839149
                   +0 :              -0.00028324458564
                   +1 :               0.00077285295495
                   +2 :              -0.00061031155923
                4p
                   -1 :              -0.00054596157628
                   +0 :              -0.00067437312663
                   +1 :              -0.00151169990876
              4 vec=     2.802674      7.607297     -6.601980   |vec|=   10.455242
                3s
                   +0 :               0.00037314443352
                3p
                   -1 :              -0.00000520313402
                   +0 :              -0.00038858528003
                   +1 :              -0.00000936127492
                4s
                   +0 :              -0.00082973740219
                5s
                   +0 :               0.00000392299448
                3d
                   -2 :               0.00035850783835
                   -1 :              -0.00024969617969
                   +0 :               0.00015363531788
                   +1 :              -0.00017187378822
                   +2 :               0.00008690140528
                4d
                   -2 :               0.00009906002787
                   -1 :               0.00004472416678
                   +0 :              -0.00036131648812
                   +1 :              -0.00042360124707
                   +2 :              -0.00004933455508
                4p
                   -1 :              -0.00005811937472
                   +0 :               0.00053931976372
                   +1 :               0.00022357921203
              5 vec=     2.802674    -10.360219     -6.601980   |vec|=   12.600606
                3s
                   +0 :               0.00007025016607
                3p
                   -1 :               0.00012249126504
                   +0 :              -0.00016589881538
                   +1 :              -0.00002256646194
                4s
                   +0 :              -0.00062455299151
                5s
                   +0 :               0.00013253985966
                3d
                   -2 :               0.00026067243496
                   -1 :              -0.00009992616850
                   +0 :               0.00038108326176
                   +1 :               0.00020329414639
                   +2 :               0.00039679701115
                4d
                   -2 :              -0.00002000709432
                   -1 :              -0.00036314492258
                   +0 :              -0.00013652946588
                   +1 :              -0.00010791134238
                   +2 :               0.00013405323894
                4p
                   -1 :               0.00002076649171
                   +0 :               0.00060019735018
                   +1 :               0.00008782995951
              6 vec=    10.582837      3.115418     -6.601980   |vec|=   12.856453
                3s
                   +0 :               0.00016557886890
                3p
                   -1 :              -0.00000534502640
                   +0 :               0.00015133297152
                   +1 :              -0.00009467833455
                4s
                   +0 :              -0.00093531068085
                5s
                   +0 :               0.00002329930617
                3d
                   -2 :              -0.00037224722114
                   -1 :               0.00034497482463
                   +0 :               0.00012900800816
                   +1 :               0.00042883136949
                   +2 :              -0.00030391655786
                4d
                   -2 :              -0.00006001668336
                   -1 :              -0.00002222173572
                   +0 :               0.00000298600899
                   +1 :              -0.00006439444348
                   +2 :              -0.00007908728866
                4p
                   -1 :              -0.00017700141669
                   +0 :               0.00012397923768
                   +1 :              -0.00015370226241
              7 vec=    10.582837     -5.868340     -6.601980   |vec|=   13.784774
                3s
                   +0 :              -0.00011666955617
                3p
                   -1 :               0.00020110251599
                   +0 :               0.00013506751201
                   +1 :              -0.00001569859163
                4s
                   +0 :              -0.00027614628190
                5s
                   +0 :               0.00022150043432
                3d
                   -2 :              -0.00011783284892
                   -1 :              -0.00002486610888
                   +0 :              -0.00010503215119
                   +1 :              -0.00010209448191
                   +2 :               0.00008404310675
                4d
                   -2 :               0.00016200366076
                   -1 :              -0.00007307344614
                   +0 :               0.00009343564389
                   +1 :               0.00001492145772
                   +2 :              -0.00000405861898
                4p
                   -1 :              -0.00017349121534
                   +0 :              -0.00020922588704
                   +1 :              -0.00013420990797
              8 vec=   -12.757651     -1.376461     -6.601980   |vec|=   14.430470
                3s
                   +0 :              -0.00023735677839
                3p
                   -1 :              -0.00001973350777
                   +0 :               0.00020688694099
                   +1 :               0.00006127923230
                4s
                   +0 :               0.00068421021988
                5s
                   +0 :              -0.00007378471567
                3d
                   -2 :              -0.00011434602234
                   -1 :              -0.00006572927623
                   +0 :              -0.00006340186701
                   +1 :               0.00004398079280
                   +2 :              -0.00023025209075
                4d
                   -2 :              -0.00007422228284
                   -1 :              -0.00005215639433
                   +0 :               0.00005396266331
                   +1 :               0.00018886960224
                   +2 :               0.00003632832067
                4p
                   -1 :               0.00003056921414
                   +0 :              -0.00044194511957
                   +1 :              -0.00017018316070
              9 vec=    -4.977489     12.099176     -6.601980   |vec|=   14.654405
                3s
                   +0 :               0.00003367657537
                3p
                   -1 :               0.00000335149435
                   +0 :              -0.00002082093315
                   +1 :              -0.00004835892523
                4s
                   +0 :              -0.00002388433892
                5s
                   +0 :              -0.00001423277317
                3d
                   -2 :               0.00014975107002
                   -1 :               0.00010903183663
                   +0 :              -0.00002181801180
                   +1 :              -0.00005627413002
                   +2 :               0.00003785509843
                4d
                   -2 :              -0.00000128307493
                   -1 :              -0.00002129000480
                   +0 :              -0.00000542815645
                   +1 :              -0.00006866281570
                   +2 :              -0.00000439870760
                4p
                   -1 :              -0.00000909182421
                   +0 :               0.00004103386877
                   +1 :               0.00011182306395
             10 vec=   -12.757651      7.607297     -6.601980   |vec|=   16.254684
                3s
                   +0 :              -0.00013258818162
                3p
                   -1 :              -0.00000122407995
                   +0 :               0.00005592814985
                   +1 :               0.00009622280074
                4s
                   +0 :               0.00018155631879
                5s
                   +0 :               0.00000745263597
                3d
                   -2 :              -0.00012107112429
                   -1 :              -0.00003907011609
                   +0 :               0.00006535271536
                   +1 :               0.00011401640390
                   +2 :              -0.00000781472957
                4d
                   -2 :               0.00001362295275
                   -1 :              -0.00002594709127
                   +0 :               0.00000529912294
                   +1 :               0.00008350356451
                   +2 :               0.00003199957014
                4p
                   -1 :              -0.00000222834833
                   +0 :              -0.00014577896146
                   +1 :              -0.00009894059819
             11 vec=    -4.977489    -14.852098     -6.601980   |vec|=   16.998422
                3s
                   +0 :              -0.00005390145494
                3p
                   -1 :               0.00002483928113
                   +0 :               0.00002816981517
                   +1 :              -0.00000683387234
                4s
                   +0 :               0.00014627516682
                5s
                   +0 :               0.00000591953217
                3d
                   -2 :               0.00005398467318
                   -1 :               0.00007500211175
                   +0 :              -0.00002035871486
                   +1 :              -0.00001994496084
                   +2 :              -0.00007363298297
                4d
                   -2 :              -0.00001103433977
                   -1 :               0.00003420136935
                   +0 :               0.00000916531450
                   +1 :               0.00002729998020
                   +2 :              -0.00004136746304
                4p
                   -1 :              -0.00006307305840
                   +0 :              -0.00006986254621
                   +1 :               0.00000416926248
             12 vec=    10.582837     12.099176     -6.601980   |vec|=   17.377359
                3s
                   +0 :               0.00005289496627
                3p
                   -1 :              -0.00002246731954
                   +0 :              -0.00003238398433
                   +1 :               0.00001532779072
                4s
                   +0 :              -0.00019514158522
                5s
                   +0 :               0.00001648378218
                3d
                   -2 :              -0.00006610272064
                   -1 :              -0.00003790255795
                   +0 :               0.00001283896501
                   +1 :               0.00009094824613
                   +2 :               0.00001698965295
                4d
                   -2 :               0.00000325011953
                   -1 :               0.00003016657533
                   +0 :              -0.00001412685385
                   +1 :               0.00003626055026
                   +2 :              -0.00004497148652
                4p
                   -1 :               0.00001457743524
                   +0 :               0.00008530197238
                   +1 :              -0.00002877035975
             13 vec=   -12.757651    -10.360219     -6.601980   |vec|=   17.710956
                3s
                   +0 :               0.00002192161868
                3p
                   -1 :              -0.00003946092768
                   +0 :              -0.00003793562864
                   +1 :              -0.00001080772252
                4s
                   +0 :               0.00005396277461
                5s
                   +0 :              -0.00002439644543
                3d
                   -2 :              -0.00001191460471
                   -1 :               0.00006861865142
                   +0 :              -0.00000239248165
                   +1 :              -0.00000786453674
                   +2 :              -0.00005672231166
                4d
                   -2 :              -0.00002090885817
                   -1 :              -0.00001678704711
                   +0 :               0.00002743009195
                   +1 :              -0.00002143836073
                   +2 :               0.00003244597395
                4p
                   -1 :               0.00007879582331
                   +0 :               0.00006662794332
                   +1 :              -0.00001795113759
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al(  4)  npairs=  15
              1 vec=     2.802674     -1.376461     10.693237   |vec|=   11.139791
                2s
                   +0 :               0.00057473579498
                2p
                   -1 :              -0.00016077006124
                   +0 :               0.00021345299537
                   +1 :               0.00008046225989
                3s
                   +0 :              -0.00162239259534
                4s
                   +0 :               0.00040852459318
                3p
                   -1 :               0.00086279223733
                   +0 :              -0.00111698466347
                   +1 :              -0.00109769737789
                4p
                   -1 :              -0.00013263795551
                   +0 :               0.00031710804326
                   +1 :               0.00015249432005
                3d
                   -2 :              -0.00003084169912
                   -1 :               0.00029726538214
                   +0 :               0.00017751598662
                   +1 :              -0.00025917589958
                   +2 :               0.00000363749604
              2 vec=    -4.977489      3.115418     10.693237   |vec|=   12.199448
                2s
                   +0 :              -0.00023685151149
                2p
                   -1 :              -0.00009126273582
                   +0 :              -0.00010543530804
                   +1 :               0.00009137153186
                3s
                   +0 :               0.00018337080101
                4s
                   +0 :               0.00002455432988
                3p
                   -1 :               0.00047398886088
                   +0 :               0.00035431930050
                   +1 :              -0.00026354858178
                4p
                   -1 :               0.00005027407052
                   +0 :               0.00002949533922
                   +1 :               0.00011293856937
                3d
                   -2 :              -0.00028225513879
                   -1 :               0.00021239718937
                   +0 :               0.00019015691438
                   +1 :              -0.00008067403256
                   +2 :               0.00001514170604
              3 vec=    -4.977489     -5.868340     10.693237   |vec|=   13.174146
                2s
                   +0 :               0.00032455408381
                2p
                   -1 :              -0.00027419343270
                   +0 :               0.00015970684872
                   +1 :              -0.00005682327895
                3s
                   +0 :              -0.00055047264826
                4s
                   +0 :               0.00017020548180
                3p
                   -1 :               0.00115938355219
                   +0 :              -0.00038766919701
                   +1 :              -0.00027807020706
                4p
                   -1 :              -0.00029838964539
                   +0 :               0.00010514107371
                   +1 :               0.00015097482138
                3d
                   -2 :              -0.00001469808916
                   -1 :               0.00021307018496
                   +0 :              -0.00008513434842
                   +1 :              -0.00006440233639
                   +2 :               0.00024028227256
              4 vec=     2.802674      7.607297     10.693237   |vec|=   13.419063
                2s
                   +0 :               0.00005826569330
                2p
                   -1 :               0.00010344693819
                   +0 :               0.00011651793042
                   +1 :              -0.00009073657008
                3s
                   +0 :               0.00113282265714
                4s
                   +0 :              -0.00010295828365
                3p
                   -1 :               0.00060694359102
                   +0 :               0.00037463411993
                   +1 :               0.00061437417627
                4p
                   -1 :              -0.00000074874535
                   +0 :               0.00007794681576
                   +1 :              -0.00020815371125
                3d
                   -2 :               0.00011355680461
                   -1 :               0.00022335049331
                   +0 :              -0.00005074847665
                   +1 :               0.00007204367847
                   +2 :              -0.00027855560451
              5 vec=     2.802674     -1.376461    -13.854306   |vec|=   14.201810
                2s
                   +0 :               0.00011784259896
                2p
                   -1 :              -0.00001247486245
                   +0 :               0.00000923948143
                   +1 :               0.00001100683865
                3s
                   +0 :              -0.00025953301803
                4s
                   +0 :               0.00002867246098
                3p
                   -1 :               0.00007445072910
                   +0 :              -0.00025648872793
                   +1 :              -0.00002822398409
                4p
                   -1 :              -0.00004055482435
                   +0 :               0.00012938752391
                   +1 :              -0.00001791129418
                3d
                   -2 :               0.00000876465986
                   -1 :               0.00000952483748
                   +0 :               0.00010196178893
                   +1 :              -0.00002536457562
                   +2 :               0.00003456804828
              6 vec=    -4.977489      3.115418    -13.854306   |vec|=   15.047359
                2s
                   +0 :              -0.00000175202943
                2p
                   -1 :              -0.00003961498765
                   +0 :              -0.00004926610309
                   +1 :               0.00000242115683
                3s
                   +0 :              -0.00000472708011
                4s
                   +0 :               0.00004022937479
                3p
                   -1 :               0.00020556946879
                   +0 :               0.00026966189365
                   +1 :              -0.00007698972156
                4p
                   -1 :              -0.00002985714273
                   +0 :              -0.00009474164096
                   +1 :              -0.00000637977768
                3d
                   -2 :              -0.00002733382771
                   -1 :               0.00000185799013
                   +0 :              -0.00003613204982
                   +1 :              -0.00002884544430
                   +2 :              -0.00000586871573
              7 vec=     2.802674    -10.360219     10.693237   |vec|=   15.150394
                2s
                   +0 :               0.00007986208063
                2p
                   -1 :              -0.00005761057030
                   +0 :               0.00005961254664
                   +1 :              -0.00001423371826
                3s
                   +0 :              -0.00053817342592
                4s
                   +0 :               0.00023394213690
                3p
                   -1 :               0.00047179386613
                   +0 :              -0.00045804530423
                   +1 :               0.00003083740111
                4p
                   -1 :              -0.00015002227699
                   +0 :               0.00011692581798
                   +1 :              -0.00002919194170
                3d
                   -2 :               0.00003793646207
                   -1 :               0.00011230833257
                   +0 :              -0.00008310219777
                   +1 :              -0.00000394299196
                   +2 :               0.00008844360335
              8 vec=    10.582837      3.115418     10.693237   |vec|=   15.363840
                2s
                   +0 :              -0.00002606021768
                2p
                   -1 :               0.00002027390490
                   +0 :               0.00002840903399
                   +1 :               0.00000755878204
                3s
                   +0 :               0.00016015938905
                4s
                   +0 :               0.00003624459261
                3p
                   -1 :              -0.00021022970153
                   +0 :              -0.00013919428695
                   +1 :              -0.00006711013877
                4p
                   -1 :               0.00005629811035
                   +0 :               0.00006267323986
                   +1 :               0.00006780775219
                3d
                   -2 :              -0.00006766425684
                   -1 :              -0.00002647488423
                   +0 :               0.00001663690844
                   +1 :              -0.00002998502846
                   +2 :              -0.00001722452919
              9 vec=    -4.977489     -5.868340    -13.854306   |vec|=   15.847858
                2s
                   +0 :              -0.00005134574732
                2p
                   -1 :               0.00000646703888
                   +0 :               0.00003746129466
                   +1 :              -0.00002907392026
                3s
                   +0 :              -0.00007188304646
                4s
                   +0 :              -0.00004671535369
                3p
                   -1 :               0.00014822423980
                   +0 :              -0.00014597841447
                   +1 :               0.00019011205980
                4p
                   -1 :              -0.00000662936964
                   +0 :               0.00001845072103
                   +1 :              -0.00005676399919
                3d
                   -2 :              -0.00003933568824
                   -1 :              -0.00000369692991
                   +0 :               0.00004752353210
                   +1 :              -0.00000322629656
                   +2 :               0.00009855234011
             10 vec=     2.802674      7.607297    -13.854306   |vec|=   16.052032
                2s
                   +0 :              -0.00006694416281
                2p
                   -1 :              -0.00002960987793
                   +0 :               0.00002253738568
                   +1 :               0.00000407485673
                3s
                   +0 :               0.00002779293223
                4s
                   +0 :              -0.00005123177748
                3p
                   -1 :               0.00003701332571
                   +0 :              -0.00009199962895
                   +1 :              -0.00020950227771
                4p
                   -1 :               0.00001452881431
                   +0 :               0.00001583257405
                   +1 :               0.00001872417936
                3d
                   -2 :               0.00000878066942
                   -1 :              -0.00003145204986
                   +0 :               0.00005582635833
                   +1 :              -0.00000810494403
                   +2 :              -0.00002418292056
             11 vec=    10.582837     -5.868340     10.693237   |vec|=   16.148658
                2s
                   +0 :               0.00025073734320
                2p
                   -1 :              -0.00003100045054
                   +0 :               0.00009179856885
                   +1 :               0.00011291854589
                3s
                   +0 :              -0.00078168042148
                4s
                   +0 :               0.00025767880661
                3p
                   -1 :               0.00011713430874
                   +0 :              -0.00041632482745
                   +1 :              -0.00049473588690
                4p
                   -1 :              -0.00001492174854
                   +0 :               0.00011702355998
                   +1 :               0.00009782831795
                3d
                   -2 :              -0.00000198319565
                   -1 :               0.00004087006633
                   +0 :              -0.00002762981260
                   +1 :              -0.00009271797234
                   +2 :              -0.00005023932158
             12 vec=   -12.757651     -1.376461     10.693237   |vec|=   16.703222
                2s
                   +0 :              -0.00003099895754
                2p
                   -1 :               0.00000037149670
                   +0 :              -0.00004725441466
                   +1 :               0.00002841244686
                3s
                   +0 :               0.00001266491280
                4s
                   +0 :              -0.00010651193552
                3p
                   -1 :               0.00005385293879
                   +0 :               0.00017117688314
                   +1 :              -0.00011705672396
                4p
                   -1 :              -0.00000256414880
                   +0 :              -0.00008939756074
                   +1 :               0.00006538385614
                3d
                   -2 :              -0.00008210388138
                   -1 :               0.00000355706618
                   +0 :               0.00005396617707
                   +1 :              -0.00001726227198
                   +2 :               0.00000860781606
             13 vec=    -4.977489     12.099176     10.693237   |vec|=   16.897064
                2s
                   +0 :               0.00008241789427
                2p
                   -1 :               0.00004737052278
                   +0 :               0.00002865603735
                   +1 :              -0.00002116485572
                3s
                   +0 :              -0.00029485084670
                4s
                   +0 :               0.00006846488837
                3p
                   -1 :              -0.00022420602492
                   +0 :              -0.00016791523859
                   +1 :               0.00013217010509
                4p
                   -1 :               0.00004779744887
                   +0 :               0.00002781050161
                   +1 :              -0.00005618637751
                3d
                   -2 :               0.00005225230434
                   -1 :              -0.00004888439972
                   +0 :              -0.00001295236016
                   +1 :               0.00000156205116
                   +2 :               0.00001578762638
             14 vec=     2.802674    -10.360219    -13.854306   |vec|=   17.525151
                2s
                   +0 :              -0.00000333789382
                2p
                   -1 :               0.00001925006802
                   +0 :              -0.00000413949554
                   +1 :               0.00002225862865
                3s
                   +0 :              -0.00019492294433
                4s
                   +0 :               0.00002179041242
                3p
                   -1 :               0.00004486411960
                   +0 :               0.00004846441826
                   +1 :              -0.00011738901860
                4p
                   -1 :               0.00001099674951
                   +0 :              -0.00002313498402
                   +1 :               0.00003775867947
                3d
                   -2 :               0.00003091438598
                   -1 :              -0.00000170026942
                   +0 :               0.00001651222397
                   +1 :               0.00001287990201
                   +2 :               0.00001438347644
             15 vec=    10.582837      3.115418    -13.854306   |vec|=   17.709998
                2s
                   +0 :               0.00012486435504
                2p
                   -1 :               0.00003158444736
                   +0 :              -0.00002290995962
                   +1 :               0.00008280547774
                3s
                   +0 :              -0.00026547288088
                4s
                   +0 :               0.00005609001836
                3p
                   -1 :              -0.00011205089139
                   +0 :               0.00007063767914
                   +1 :              -0.00031237807614
                4p
                   -1 :               0.00000283678149
                   +0 :               0.00001464612768
                   +1 :               0.00005960838962
                3d
                   -2 :              -0.00004979435981
                   -1 :               0.00004303468494
                   +0 :               0.00000747143935
                   +1 :               0.00005140867223
                   +2 :              -0.00003175649446
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al(  5)  npairs=  13
              1 vec=     0.209286      3.115418      6.601898   |vec|=    7.303060
                2s
                   +0 :              -0.00290321790190
                2p
                   -1 :              -0.00060970528283
                   +0 :              -0.00099976166463
                   +1 :               0.00036505900141
                3s
                   +0 :               0.00989270967110
                4s
                   +0 :              -0.00339536710816
                3p
                   -1 :               0.00171610177025
                   +0 :               0.00435364963439
                   +1 :              -0.00809629267970
                4p
                   -1 :               0.00010028646917
                   +0 :              -0.00106150485871
                   +1 :               0.00073322402380
                3d
                   -2 :              -0.00134324837134
                   -1 :               0.00045573665023
                   +0 :               0.00019879440931
                   +1 :              -0.00212617065891
                   +2 :               0.00040654260450
              2 vec=     0.209286     -5.868340      6.601898   |vec|=    8.835512
                2s
                   +0 :              -0.00063959037242
                2p
                   -1 :               0.00034943507113
                   +0 :               0.00002193717623
                   +1 :              -0.00081990964322
                3s
                   +0 :               0.00544657032529
                4s
                   +0 :              -0.00241043950857
                3p
                   -1 :              -0.00409904151118
                   +0 :               0.00165386365648
                   +1 :               0.00504825650427
                4p
                   -1 :               0.00125693579337
                   +0 :              -0.00066083570522
                   +1 :              -0.00185806701101
                3d
                   -2 :              -0.00162705292294
                   -1 :              -0.00074617902306
                   +0 :               0.00007672134135
                   +1 :               0.00080726063818
                   +2 :              -0.00078543203556
              3 vec=    -7.570876     -1.376461      6.601898   |vec|=   10.138928
                2s
                   +0 :               0.00017558883839
                2p
                   -1 :              -0.00026827541285
                   +0 :              -0.00026225231997
                   +1 :              -0.00045406578685
                3s
                   +0 :              -0.00241580870636
                4s
                   +0 :               0.00128343292488
                3p
                   -1 :               0.00229544629254
                   +0 :               0.00075449504909
                   +1 :               0.00323211616233
                4p
                   -1 :              -0.00040803256113
                   +0 :               0.00008521101816
                   +1 :              -0.00124036763575
                3d
                   -2 :              -0.00041773263276
                   -1 :               0.00048126771773
                   +0 :               0.00009828362748
                   +1 :               0.00010431975793
                   +2 :              -0.00049798446599
              4 vec=     7.989449     -1.376461      6.601898   |vec|=   10.455190
                2s
                   +0 :              -0.00151721913075
                2p
                   -1 :              -0.00009574250285
                   +0 :              -0.00039944604062
                   +1 :              -0.00043876672550
                3s
                   +0 :               0.00620959340940
                4s
                   +0 :              -0.00192432519025
                3p
                   -1 :               0.00010453710146
                   +0 :               0.00244451506544
                   +1 :               0.00256833492188
                4p
                   -1 :              -0.00015888694197
                   +0 :              -0.00064991195442
                   +1 :              -0.00059914947865
                3d
                   -2 :               0.00026148386679
                   -1 :               0.00011213158172
                   +0 :               0.00047022029138
                   +1 :               0.00033580081788
                   +2 :               0.00043638777898
              5 vec=    -7.570876      7.607297      6.601898   |vec|=   12.600563
                2s
                   +0 :              -0.00047147351744
                2p
                   -1 :              -0.00004977788007
                   +0 :              -0.00027459655061
                   +1 :               0.00027700533461
                3s
                   +0 :               0.00156738147151
                4s
                   +0 :              -0.00067443247407
                3p
                   -1 :               0.00024002741869
                   +0 :               0.00134263841844
                   +1 :              -0.00139239813032
                4p
                   -1 :              -0.00005852017949
                   +0 :              -0.00040171029851
                   +1 :               0.00040303038972
                3d
                   -2 :              -0.00001686523793
                   -1 :               0.00007800346307
                   +0 :               0.00004106026717
                   +1 :              -0.00027878102279
                   +2 :               0.00012656376560
              6 vec=     7.989449      7.607297      6.601898   |vec|=   12.856411
                2s
                   +0 :              -0.00015412492130
                2p
                   -1 :              -0.00000682891483
                   +0 :              -0.00014289765457
                   +1 :               0.00000261096726
                3s
                   +0 :               0.00103747213455
                4s
                   +0 :              -0.00018970625083
                3p
                   -1 :               0.00019224447877
                   +0 :               0.00105041652752
                   +1 :               0.00006192453267
                4p
                   -1 :              -0.00006637863382
                   +0 :              -0.00020859412587
                   +1 :               0.00015018613306
                3d
                   -2 :               0.00006207431386
                   -1 :               0.00015634924694
                   +0 :               0.00020939046587
                   +1 :               0.00021056515329
                   +2 :              -0.00008669244525
              7 vec=     0.209286     12.099176      6.601898   |vec|=   13.784734
                2s
                   +0 :              -0.00001329394134
                2p
                   -1 :               0.00000366728475
                   +0 :               0.00003916050565
                   +1 :               0.00008793525044
                3s
                   +0 :               0.00014354486872
                4s
                   +0 :              -0.00005704308436
                3p
                   -1 :               0.00005297073008
                   +0 :              -0.00018193201101
                   +1 :              -0.00041039084689
                4p
                   -1 :               0.00000339586244
                   +0 :               0.00002465334953
                   +1 :               0.00009662689364
                3d
                   -2 :               0.00002880717368
                   -1 :              -0.00002721647428
                   +0 :               0.00003337979239
                   +1 :              -0.00015546976192
                   +2 :              -0.00001747345485
              8 vec=    -7.570876    -10.360219      6.601898   |vec|=   14.430432
                2s
                   +0 :               0.00011166829063
                2p
                   -1 :              -0.00002564120891
                   +0 :               0.00010628537835
                   +1 :              -0.00003969097079
                3s
                   +0 :              -0.00074629205710
                4s
                   +0 :               0.00032555907064
                3p
                   -1 :               0.00042106747894
                   +0 :              -0.00063136651396
                   +1 :               0.00032116088043
                4p
                   -1 :              -0.00018457824274
                   +0 :               0.00015376392217
                   +1 :              -0.00011854182108
                3d
                   -2 :              -0.00010284759390
                   -1 :               0.00004285091659
                   +0 :              -0.00002001945376
                   +1 :               0.00003882320028
                   +2 :               0.00002153053023
              9 vec=     7.989449    -10.360219      6.601898   |vec|=   14.654368
                2s
                   +0 :               0.00010493081638
                2p
                   -1 :              -0.00002737031543
                   +0 :               0.00000785045915
                   +1 :               0.00001164963210
                3s
                   +0 :              -0.00016342304143
                4s
                   +0 :              -0.00002591528972
                3p
                   -1 :               0.00014423016358
                   +0 :               0.00008502138923
                   +1 :               0.00003497865280
                4p
                   -1 :              -0.00003233993087
                   +0 :              -0.00006503347100
                   +1 :              -0.00004735041112
                3d
                   -2 :              -0.00007484017447
                   -1 :               0.00002871351078
                   +0 :               0.00009883897107
                   +1 :              -0.00003603293283
                   +2 :               0.00007140067180
             10 vec=     0.209286    -14.852098      6.601898   |vec|=   16.254651
                2s
                   +0 :              -0.00003232250952
                2p
                   -1 :               0.00000939859282
                   +0 :               0.00001955884880
                   +1 :              -0.00002389407185
                3s
                   +0 :               0.00007901933173
                4s
                   +0 :              -0.00003017262024
                3p
                   -1 :              -0.00002548993715
                   +0 :              -0.00009023990327
                   +1 :               0.00011751053313
                4p
                   -1 :               0.00000657249782
                   +0 :              -0.00000002560978
                   +1 :              -0.00002214142847
                3d
                   -2 :              -0.00005978116121
                   -1 :               0.00003094716437
                   +0 :               0.00000786146359
                   +1 :               0.00000571474203
                   +2 :              -0.00000460347410
             11 vec=   -15.351039      3.115418      6.601898   |vec|=   16.998390
                2s
                   +0 :               0.00009948576930
                2p
                   -1 :               0.00001539980615
                   +0 :               0.00002658904972
                   +1 :              -0.00002178485899
                3s
                   +0 :              -0.00061065335546
                4s
                   +0 :               0.00012680898287
                3p
                   -1 :              -0.00013865927047
                   +0 :              -0.00028308588919
                   +1 :               0.00022106037715
                4p
                   -1 :               0.00000535727267
                   +0 :               0.00004672384259
                   +1 :              -0.00001674070159
                3d
                   -2 :               0.00003165790252
                   -1 :              -0.00002628064246
                   +0 :              -0.00003620702086
                   +1 :               0.00007262888905
                   +2 :              -0.00004921845873
             12 vec=    15.769612      3.115418      6.601898   |vec|=   17.377328
                2s
                   +0 :              -0.00001781516733
                2p
                   -1 :              -0.00001035040619
                   +0 :               0.00000183046699
                   +1 :               0.00003158066199
                3s
                   +0 :               0.00022622646952
                4s
                   +0 :              -0.00003096307148
                3p
                   -1 :               0.00009919231636
                   +0 :               0.00006295126033
                   +1 :              -0.00009535704715
                4p
                   -1 :              -0.00002616806890
                   +0 :              -0.00000183626809
                   +1 :               0.00004137561498
                3d
                   -2 :               0.00003451397828
                   -1 :               0.00001025927248
                   +0 :               0.00000552760784
                   +1 :              -0.00000152302003
                   +2 :              -0.00000392898711
             13 vec=   -15.351039     -5.868340      6.601898   |vec|=   17.710925
                2s
                   +0 :               0.00003744304943
                2p
                   -1 :              -0.00002709714252
                   +0 :              -0.00000388662059
                   +1 :               0.00001694547456
                3s
                   +0 :              -0.00019912780136
                4s
                   +0 :               0.00006042230472
                3p
                   -1 :               0.00014471545582
                   +0 :              -0.00000316431813
                   +1 :              -0.00008102571199
                4p
                   -1 :              -0.00003837426271
                   +0 :               0.00000438938680
                   +1 :               0.00002709560243
                3d
                   -2 :               0.00000509894560
                   -1 :               0.00000482931591
                   +0 :              -0.00002573127957
                   +1 :              -0.00002961956664
                   +2 :              -0.00001095444345
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al(  6)  npairs=  15
              1 vec=     0.209286      3.115418    -10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00002793812559
                2p
                   -1 :               0.00019171368677
                   +0 :              -0.00009067225668
                   +1 :               0.00013970204954
                3s
                   +0 :              -0.00045017608975
                4s
                   +0 :               0.00023561799509
                3p
                   -1 :              -0.00084704893335
                   +0 :               0.00084848843740
                   +1 :              -0.00120276134436
                4p
                   -1 :               0.00027021986949
                   +0 :              -0.00034734779450
                   +1 :               0.00019009310804
                3d
                   -2 :               0.00026918767661
                   -1 :               0.00005933487629
                   +0 :              -0.00035842646057
                   +1 :               0.00020653151694
                   +2 :              -0.00014519140137
              2 vec=     0.209286     -5.868340    -10.693319   |vec|=   12.199520
                2s
                   +0 :              -0.00012923331614
                2p
                   -1 :               0.00008320899613
                   +0 :               0.00005847050872
                   +1 :              -0.00021667145226
                3s
                   +0 :               0.00010798359353
                4s
                   +0 :              -0.00011931264703
                3p
                   -1 :              -0.00034885970281
                   +0 :              -0.00007916376183
                   +1 :               0.00148210716572
                4p
                   -1 :               0.00006087615913
                   +0 :               0.00002615049631
                   +1 :              -0.00020967133348
                3d
                   -2 :              -0.00001119615813
                   -1 :               0.00007554266748
                   +0 :              -0.00015985485641
                   +1 :              -0.00036494053354
                   +2 :              -0.00003250765035
              3 vec=    -7.570876     -1.376461    -10.693319   |vec|=   13.174213
                2s
                   +0 :               0.00003044858542
                2p
                   -1 :               0.00002682742999
                   +0 :               0.00003565215164
                   +1 :               0.00001652248462
                3s
                   +0 :              -0.00077978693724
                4s
                   +0 :              -0.00007455891942
                3p
                   -1 :              -0.00009944434042
                   +0 :               0.00027585390266
                   +1 :               0.00041535619463
                4p
                   -1 :               0.00011662869108
                   +0 :               0.00009467308263
                   +1 :               0.00002901156588
                3d
                   -2 :               0.00001623218683
                   -1 :              -0.00002417711503
                   +0 :               0.00005284225854
                   +1 :              -0.00020418725935
                   +2 :              -0.00008238647330
              4 vec=     7.989449     -1.376461    -10.693319   |vec|=   13.419128
                2s
                   +0 :              -0.00017414865728
                2p
                   -1 :               0.00009453695473
                   +0 :               0.00004695935520
                   +1 :              -0.00019655773140
                3s
                   +0 :               0.00188148878759
                4s
                   +0 :              -0.00065211256695
                3p
                   -1 :              -0.00059952743369
                   +0 :              -0.00128872636712
                   +1 :               0.00157339440882
                4p
                   -1 :              -0.00001326605470
                   +0 :               0.00036475846926
                   +1 :              -0.00040724374377
                3d
                   -2 :              -0.00010935551373
                   -1 :               0.00032917837815
                   +0 :               0.00032149593608
                   +1 :              -0.00030880982963
                   +2 :               0.00010562510793
              5 vec=     0.209286      3.115418     13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00004429410371
                2p
                   -1 :              -0.00000614702153
                   +0 :               0.00005220167944
                   +1 :               0.00005128178898
                3s
                   +0 :              -0.00017337255892
                4s
                   +0 :               0.00004780917922
                3p
                   -1 :               0.00009846219927
                   +0 :              -0.00027653403118
                   +1 :              -0.00021903840745
                4p
                   -1 :              -0.00006471122639
                   +0 :               0.00007609215948
                   +1 :               0.00005955184665
                3d
                   -2 :               0.00000876488553
                   -1 :              -0.00000403340594
                   +0 :              -0.00002080185486
                   +1 :               0.00001996332330
                   +2 :               0.00002298183262
              6 vec=     0.209286     -5.868340     13.854224   |vec|=   15.047283
                2s
                   +0 :               0.00001010995511
                2p
                   -1 :               0.00006795582925
                   +0 :               0.00003940471356
                   +1 :              -0.00002302625854
                3s
                   +0 :              -0.00005768269743
                4s
                   +0 :               0.00002212690803
                3p
                   -1 :              -0.00033543598886
                   +0 :              -0.00023144527734
                   +1 :               0.00008865635075
                4p
                   -1 :               0.00006795119391
                   +0 :               0.00005878997148
                   +1 :              -0.00002009735740
                3d
                   -2 :               0.00003234112095
                   -1 :               0.00002407466971
                   +0 :              -0.00004159062334
                   +1 :              -0.00001689397415
                   +2 :              -0.00002419753709
              7 vec=    -7.570876      7.607297    -10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00002331482771
                2p
                   -1 :               0.00002812229931
                   +0 :               0.00003164811909
                   +1 :              -0.00003929881280
                3s
                   +0 :               0.00041249578853
                4s
                   +0 :               0.00001130550712
                3p
                   -1 :              -0.00003870441255
                   +0 :              -0.00033737301539
                   +1 :               0.00036938228730
                4p
                   -1 :               0.00004555389394
                   +0 :               0.00003343215520
                   +1 :              -0.00005797530350
                3d
                   -2 :               0.00011547404444
                   -1 :              -0.00006594853252
                   +0 :               0.00009900895763
                   +1 :              -0.00011989780465
                   +2 :               0.00007310386002
              8 vec=     7.989449      7.607297    -10.693319   |vec|=   15.363897
                2s
                   +0 :               0.00001313969590
                2p
                   -1 :               0.00002019607176
                   +0 :              -0.00002083652093
                   +1 :               0.00000917184349
                3s
                   +0 :               0.00026182684310
                4s
                   +0 :              -0.00001622183023
                3p
                   -1 :               0.00009709007581
                   +0 :               0.00001659383808
                   +1 :              -0.00000858566599
                4p
                   -1 :              -0.00005093008216
                   +0 :              -0.00004701475795
                   +1 :              -0.00000513275685
                3d
                   -2 :              -0.00001133405287
                   -1 :              -0.00000438639698
                   +0 :               0.00001093283269
                   +1 :               0.00000793999537
                   +2 :              -0.00006805363699
              9 vec=    -7.570876     -1.376461     13.854224   |vec|=   15.847786
                2s
                   +0 :              -0.00007261100129
                2p
                   -1 :              -0.00000646083745
                   +0 :               0.00000478399297
                   +1 :               0.00002133160120
                3s
                   +0 :               0.00020366302147
                4s
                   +0 :              -0.00001364684475
                3p
                   -1 :               0.00005302133991
                   +0 :              -0.00011152932321
                   +1 :              -0.00010563102713
                4p
                   -1 :              -0.00002481650158
                   +0 :               0.00006728842414
                   +1 :               0.00000011155390
                3d
                   -2 :               0.00001713477427
                   -1 :               0.00000573217903
                   +0 :              -0.00005455338980
                   +1 :               0.00003126182340
                   +2 :               0.00004471887644
             10 vec=     7.989449     -1.376461     13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00001582659890
                2p
                   -1 :              -0.00001545653719
                   +0 :               0.00002575813242
                   +1 :              -0.00000842283739
                3s
                   +0 :              -0.00002839055535
                4s
                   +0 :              -0.00002495772563
                3p
                   -1 :               0.00004673449559
                   +0 :              -0.00007484990337
                   +1 :               0.00002881557374
                4p
                   -1 :               0.00000399311975
                   +0 :              -0.00000283822495
                   +1 :              -0.00000352367461
                3d
                   -2 :               0.00001629042663
                   -1 :              -0.00004347138640
                   +0 :               0.00000461617198
                   +1 :              -0.00002206702944
                   +2 :               0.00004383146828
             11 vec=     0.209286     12.099176    -10.693319   |vec|=   16.148712
                2s
                   +0 :              -0.00002088936526
                2p
                   -1 :              -0.00002164508827
                   +0 :               0.00002134199814
                   +1 :               0.00000797134536
                3s
                   +0 :               0.00003856116925
                4s
                   +0 :              -0.00003622173063
                3p
                   -1 :               0.00005905830754
                   +0 :              -0.00009075259556
                   +1 :              -0.00005215421396
                4p
                   -1 :              -0.00002313661863
                   +0 :               0.00004674516622
                   +1 :               0.00002415013347
                3d
                   -2 :              -0.00001164800823
                   -1 :              -0.00001461188008
                   +0 :               0.00000306714838
                   +1 :               0.00001582412927
                   +2 :               0.00000095938565
             12 vec=    -7.570876    -10.360219    -10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00009159050792
                2p
                   -1 :              -0.00009793920887
                   +0 :              -0.00001668045519
                   +1 :               0.00003498532116
                3s
                   +0 :              -0.00060209640974
                4s
                   +0 :               0.00033914931627
                3p
                   -1 :               0.00063685804427
                   +0 :               0.00020468037550
                   +1 :              -0.00012431485921
                4p
                   -1 :              -0.00022232116688
                   +0 :              -0.00011996844895
                   +1 :              -0.00001861065548
                3d
                   -2 :              -0.00005528867916
                   -1 :              -0.00005904333639
                   +0 :              -0.00000193919003
                   +1 :               0.00001561340196
                   +2 :               0.00009611436082
             13 vec=     7.989449    -10.360219    -10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00003479104340
                2p
                   -1 :              -0.00002501346968
                   +0 :               0.00000082084854
                   +1 :              -0.00005833082719
                3s
                   +0 :               0.00007679286714
                4s
                   +0 :               0.00005199878688
                3p
                   -1 :               0.00020807465639
                   +0 :               0.00000861236309
                   +1 :               0.00027261913104
                4p
                   -1 :              -0.00012041861455
                   +0 :              -0.00002572487972
                   +1 :              -0.00004218553577
                3d
                   -2 :              -0.00001661131537
                   -1 :              -0.00001655294937
                   +0 :               0.00001152775071
                   +1 :              -0.00003910436523
                   +2 :               0.00004365451103
             14 vec=    -7.570876      7.607297     13.854224   |vec|=   17.525086
                2s
                   +0 :              -0.00000701158996
                2p
                   -1 :              -0.00001054380856
                   +0 :               0.00000382122750
                   +1 :               0.00000561711314
                3s
                   +0 :              -0.00017721793400
                4s
                   +0 :               0.00001622715648
                3p
                   -1 :              -0.00003210567909
                   +0 :              -0.00010956646242
                   +1 :               0.00012926364651
                4p
                   -1 :              -0.00000448000186
                   +0 :               0.00004251293017
                   +1 :               0.00001157262118
                3d
                   -2 :               0.00004154714817
                   -1 :               0.00000504856346
                   +0 :               0.00002426325151
                   +1 :               0.00001951715447
                   +2 :              -0.00003208453711
             15 vec=     7.989449      7.607297     13.854224   |vec|=   17.709934
                2s
                   +0 :              -0.00002653802749
                2p
                   -1 :              -0.00000799846452
                   +0 :               0.00001807709132
                   +1 :              -0.00000775119841
                3s
                   +0 :               0.00019643264008
                4s
                   +0 :              -0.00003004079062
                3p
                   -1 :               0.00011969542049
                   +0 :              -0.00006909751141
                   +1 :               0.00010620127355
                4p
                   -1 :              -0.00000730190452
                   +0 :               0.00002596661695
                   +1 :              -0.00001049458536
                3d
                   -2 :               0.00004326432682
                   -1 :               0.00000985504846
                   +0 :              -0.00004481936146
                   +1 :              -0.00001010367299
                   +2 :              -0.00001689590038
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al(  7)  npairs=  14
              1 vec=     0.209286      3.115418      1.580453   |vec|=    3.499637
                2s
                   +0 :               0.00170992136639
                2p
                   -1 :               0.00277568986074
                   +0 :               0.00180464126129
                   +1 :              -0.00754050379695
                3s
                   +0 :               0.01921768987188
                4s
                   +0 :              -0.00375909775651
                3p
                   -1 :               0.01679129693507
                   +0 :               0.00251902435371
                   +1 :              -0.03903606126085
                4p
                   -1 :              -0.00032632928176
                   +0 :               0.00059510504117
                   +1 :              -0.00155478859547
                3d
                   -2 :              -0.03258293995865
                   -1 :               0.00601316753798
                   +0 :              -0.00164392689701
                   +1 :              -0.01770533477542
                   +2 :              -0.00982078905741
              2 vec=     0.209286     -5.868340      1.580453   |vec|=    6.081040
                2s
                   +0 :               0.00076420533543
                2p
                   -1 :              -0.00157358226389
                   +0 :              -0.00077561687788
                   +1 :               0.00078729356985
                3s
                   +0 :              -0.00506882503816
                4s
                   +0 :               0.00150565620329
                3p
                   -1 :               0.00488533751528
                   +0 :               0.00546689617522
                   +1 :              -0.00387640971050
                4p
                   -1 :              -0.00188538292694
                   +0 :              -0.00183711832809
                   +1 :               0.00210520053756
                3d
                   -2 :              -0.00237008614277
                   -1 :              -0.00119848369193
                   +0 :              -0.00027205782689
                   +1 :               0.00029066655064
                   +2 :              -0.00208982879000
              3 vec=    -7.570876     -1.376461      1.580453   |vec|=    7.855612
                2s
                   +0 :              -0.00001603931369
                2p
                   -1 :               0.00001593534439
                   +0 :               0.00027063947433
                   +1 :              -0.00063155803963
                3s
                   +0 :              -0.01573160709371
                4s
                   +0 :               0.00022870528342
                3p
                   -1 :               0.00811077361686
                   +0 :              -0.01142856174716
                   +1 :               0.00597313353049
                4p
                   -1 :               0.00016190636146
                   +0 :               0.00069031936704
                   +1 :              -0.00019751653601
                3d
                   -2 :              -0.00332091179640
                   -1 :               0.00280081926024
                   +0 :              -0.00116972772667
                   +1 :               0.00366410064261
                   +2 :               0.00139680221652
              4 vec=     7.989449     -1.376461      1.580453   |vec|=    8.259768
                2s
                   +0 :              -0.00057269139842
                2p
                   -1 :               0.00083698646533
                   +0 :              -0.00032541482472
                   +1 :               0.00093235375408
                3s
                   +0 :               0.00949050270673
                4s
                   +0 :              -0.00145077423881
                3p
                   -1 :              -0.01061113223215
                   +0 :               0.00773897374837
                   +1 :              -0.00450707448784
                4p
                   -1 :               0.00134302036957
                   +0 :              -0.00102542547728
                   +1 :               0.00091138223222
                3d
                   -2 :              -0.00119201050498
                   -1 :              -0.00393163522098
                   +0 :               0.00128132687015
                   +1 :               0.00075899122729
                   +2 :              -0.00387779413608
              5 vec=    -7.570876      7.607297      1.580453   |vec|=   10.848362
                2s
                   +0 :               0.00016300641462
                2p
                   -1 :               0.00026150998089
                   +0 :               0.00010171177705
                   +1 :               0.00014504649929
                3s
                   +0 :              -0.00222985803607
                4s
                   +0 :               0.00030652286933
                3p
                   -1 :              -0.00227817892399
                   +0 :              -0.00110993945938
                   +1 :              -0.00053453102959
                4p
                   -1 :               0.00032006647621
                   +0 :               0.00008953301886
                   +1 :               0.00004076712102
                3d
                   -2 :              -0.00006533980919
                   -1 :              -0.00037122567568
                   +0 :               0.00010218790835
                   +1 :               0.00001927854109
                   +2 :               0.00045843359167
              6 vec=     7.989449      7.607297      1.580453   |vec|=   11.144509
                2s
                   +0 :              -0.00060629657770
                2p
                   -1 :              -0.00003151428059
                   +0 :               0.00008647329446
                   +1 :              -0.00023861754603
                3s
                   +0 :               0.00395770112742
                4s
                   +0 :              -0.00085681243848
                3p
                   -1 :               0.00155666177211
                   +0 :               0.00048559163880
                   +1 :               0.00185779017276
                4p
                   -1 :              -0.00002999232551
                   +0 :              -0.00003237409153
                   +1 :              -0.00045404559775
                3d
                   -2 :               0.00041354775458
                   -1 :               0.00046217240866
                   +0 :               0.00005089802654
                   +1 :              -0.00006696439144
                   +2 :               0.00010493361382
              7 vec=     0.209286     12.099176      1.580453   |vec|=   12.203757
                2s
                   +0 :              -0.00017369727482
                2p
                   -1 :              -0.00014903183804
                   +0 :              -0.00017162040539
                   +1 :               0.00005898506542
                3s
                   +0 :               0.00016793503922
                4s
                   +0 :              -0.00006934008601
                3p
                   -1 :               0.00043597813513
                   +0 :               0.00060485765699
                   +1 :              -0.00001403406841
                4p
                   -1 :              -0.00012925079714
                   +0 :              -0.00012748752515
                   +1 :               0.00008814076147
                3d
                   -2 :               0.00024244334073
                   -1 :               0.00010140647454
                   +0 :              -0.00005988587267
                   +1 :               0.00002187601952
                   +2 :              -0.00009974039052
              8 vec=    -7.570876    -10.360219      1.580453   |vec|=   12.928656
                2s
                   +0 :               0.00025232841430
                2p
                   -1 :               0.00004803499879
                   +0 :              -0.00006607543411
                   +1 :               0.00015843428781
                3s
                   +0 :              -0.00167966226402
                4s
                   +0 :               0.00021051600296
                3p
                   -1 :              -0.00040298249080
                   +0 :              -0.00071380748284
                   +1 :               0.00006674768303
                4p
                   -1 :               0.00008397670721
                   +0 :               0.00009946321816
                   +1 :               0.00022471489313
                3d
                   -2 :               0.00033097621934
                   -1 :              -0.00008962913182
                   +0 :              -0.00009249918335
                   +1 :               0.00046002236648
                   +2 :              -0.00021333793202
              9 vec=     7.989449    -10.360219      1.580453   |vec|=   13.178136
                2s
                   +0 :              -0.00024539669132
                2p
                   -1 :               0.00007241736820
                   +0 :              -0.00009914383340
                   +1 :               0.00009442244346
                3s
                   +0 :               0.00233174858713
                4s
                   +0 :              -0.00012784465097
                3p
                   -1 :              -0.00053585324997
                   +0 :               0.00181689294902
                   +1 :               0.00072206641638
                4p
                   -1 :              -0.00004027286929
                   +0 :              -0.00032936666762
                   +1 :               0.00015988849969
                3d
                   -2 :              -0.00010085074109
                   -1 :              -0.00040881712979
                   +0 :               0.00020303779352
                   +1 :               0.00069373380385
                   +2 :               0.00023033938523
             10 vec=     0.209286    -14.852098      1.580453   |vec|=   14.937418
                2s
                   +0 :               0.00005279801383
                2p
                   -1 :              -0.00006371829607
                   +0 :              -0.00000116011561
                   +1 :              -0.00000872393078
                3s
                   +0 :              -0.00033527174010
                4s
                   +0 :               0.00018782493695
                3p
                   -1 :               0.00049278482459
                   +0 :              -0.00001396332197
                   +1 :              -0.00011137751774
                4p
                   -1 :              -0.00016909035109
                   +0 :               0.00000463984153
                   +1 :              -0.00001568991061
                3d
                   -2 :              -0.00001090145845
                   -1 :               0.00003656139647
                   +0 :               0.00000112196463
                   +1 :              -0.00009386870380
                   +2 :               0.00005703595708
             11 vec=   -15.351039      3.115418      1.580453   |vec|=   15.743508
                2s
                   +0 :               0.00015611050881
                2p
                   -1 :               0.00001059987084
                   +0 :               0.00004394861713
                   +1 :              -0.00009815174724
                3s
                   +0 :              -0.00053714306379
                4s
                   +0 :               0.00021191304155
                3p
                   -1 :              -0.00015997300074
                   +0 :              -0.00031178828770
                   +1 :               0.00050474753006
                4p
                   -1 :               0.00005373106467
                   +0 :               0.00008677095270
                   +1 :              -0.00011776664779
                3d
                   -2 :               0.00011938239330
                   -1 :              -0.00003210041541
                   +0 :               0.00009610921677
                   +1 :               0.00008225693226
                   +2 :              -0.00007092725330
             12 vec=    15.769612      3.115418      1.580453   |vec|=   16.151913
                2s
                   +0 :              -0.00004545847904
                2p
                   -1 :               0.00003149163397
                   +0 :               0.00000974027791
                   +1 :               0.00001231267384
                3s
                   +0 :               0.00013098845245
                4s
                   +0 :               0.00007374186398
                3p
                   -1 :              -0.00024984354902
                   +0 :              -0.00001763735661
                   +1 :              -0.00022217243753
                4p
                   -1 :               0.00011411381858
                   +0 :               0.00003042846226
                   +1 :               0.00013477541034
                3d
                   -2 :              -0.00007818683717
                   -1 :              -0.00002146904076
                   +0 :              -0.00003455056993
                   +1 :               0.00002292212861
                   +2 :               0.00004339461342
             13 vec=   -15.351039     -5.868340      1.580453   |vec|=   16.510289
                2s
                   +0 :               0.00005461614602
                2p
                   -1 :              -0.00001737898464
                   +0 :               0.00002779451352
                   +1 :              -0.00001041968449
                3s
                   +0 :              -0.00022311958188
                4s
                   +0 :               0.00003957505542
                3p
                   -1 :               0.00004790384837
                   +0 :              -0.00018268534350
                   +1 :              -0.00000436499229
                4p
                   -1 :              -0.00001023109497
                   +0 :               0.00003091243895
                   +1 :               0.00000242234164
                3d
                   -2 :               0.00000616385295
                   -1 :               0.00005273354827
                   +0 :              -0.00001463746451
                   +1 :               0.00003104804437
                   +2 :               0.00000673372740
             14 vec=    15.769612     -5.868340      1.580453   |vec|=   16.900175
                2s
                   +0 :               0.00000946053328
                2p
                   -1 :              -0.00000267702603
                   +0 :               0.00001946211002
                   +1 :               0.00000338513714
                3s
                   +0 :               0.00024856550990
                4s
                   +0 :              -0.00010010426887
                3p
                   -1 :              -0.00006700485924
                   +0 :               0.00002030203311
                   +1 :               0.00015407138010
                4p
                   -1 :               0.00005114327920
                   +0 :               0.00001068885872
                   +1 :              -0.00005232472922
                3d
                   -2 :              -0.00000989342474
                   -1 :               0.00000510234913
                   +0 :               0.00000295616488
                   +1 :               0.00002456917200
                   +2 :               0.00000947110026
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al(  8)  npairs=  14
              1 vec=     0.209286      3.115418     -5.671873   |vec|=    6.474548
                2s
                   +0 :               0.00006775502731
                2p
                   -1 :              -0.00017192734689
                   +0 :              -0.00024145091138
                   +1 :               0.00073985981514
                3s
                   +0 :              -0.00031180468491
                4s
                   +0 :               0.00113563343863
                3p
                   -1 :               0.00030930238261
                   +0 :               0.00256355953915
                   +1 :              -0.00430665947562
                4p
                   -1 :               0.00055142693493
                   +0 :              -0.00121687526319
                   +1 :               0.00097194535568
                3d
                   -2 :               0.00110249594077
                   -1 :               0.00025909368461
                   +0 :              -0.00021980017397
                   +1 :              -0.00209713145185
                   +2 :               0.00044152427593
              2 vec=     0.209286     -5.868340     -5.671873   |vec|=    8.164029
                2s
                   +0 :               0.00045162613263
                2p
                   -1 :               0.00002848216202
                   +0 :              -0.00047412254050
                   +1 :              -0.00075000910435
                3s
                   +0 :               0.00024093857630
                4s
                   +0 :              -0.00047569906203
                3p
                   -1 :              -0.00160096805368
                   +0 :               0.00256554041046
                   +1 :               0.00513135347383
                4p
                   -1 :               0.00035229166076
                   +0 :              -0.00051604007494
                   +1 :              -0.00106912221231
                3d
                   -2 :              -0.00156431659939
                   -1 :              -0.00069561777922
                   +0 :              -0.00044705942359
                   +1 :              -0.00126458669020
                   +2 :              -0.00051257128281
              3 vec=    -7.570876     -1.376461     -5.671873   |vec|=    9.559444
                2s
                   +0 :              -0.00058946272133
                2p
                   -1 :              -0.00088693002386
                   +0 :               0.00033047508257
                   +1 :              -0.00009871573610
                3s
                   +0 :               0.00048195436774
                4s
                   +0 :               0.00016093639658
                3p
                   -1 :               0.00469321694696
                   +0 :              -0.00063505364107
                   +1 :               0.00092511038879
                4p
                   -1 :              -0.00089567092645
                   +0 :               0.00008718293882
                   +1 :              -0.00041464467021
                3d
                   -2 :              -0.00038356954729
                   -1 :              -0.00072997253468
                   +0 :              -0.00038398388813
                   +1 :              -0.00013445606592
                   +2 :              -0.00042224392351
              4 vec=     7.989449     -1.376461     -5.671873   |vec|=    9.894245
                2s
                   +0 :               0.00223738474505
                2p
                   -1 :               0.00136776290577
                   +0 :               0.00006422571686
                   +1 :               0.00118033706755
                3s
                   +0 :              -0.00569757795348
                4s
                   +0 :               0.00158573157040
                3p
                   -1 :              -0.00648411066257
                   +0 :              -0.00191614775539
                   +1 :              -0.00498757290171
                4p
                   -1 :               0.00120956575294
                   +0 :               0.00125266348303
                   +1 :               0.00101372436697
                3d
                   -2 :              -0.00140407025938
                   -1 :               0.00060105067705
                   +0 :               0.00082883365677
                   +1 :              -0.00003159950762
                   +2 :              -0.00028583793430
              5 vec=    -7.570876      7.607297     -5.671873   |vec|=   12.139163
                2s
                   +0 :              -0.00024528231520
                2p
                   -1 :              -0.00017555641788
                   +0 :               0.00007815902075
                   +1 :               0.00011422343604
                3s
                   +0 :               0.00047044168065
                4s
                   +0 :              -0.00021400762454
                3p
                   -1 :               0.00065094820378
                   +0 :              -0.00006821598867
                   +1 :              -0.00018454005753
                4p
                   -1 :              -0.00018199442434
                   +0 :               0.00008295838478
                   +1 :               0.00008091256331
                3d
                   -2 :              -0.00002683086419
                   -1 :              -0.00011780337137
                   +0 :               0.00003534985692
                   +1 :               0.00020621584620
                   +2 :              -0.00001511821040
              6 vec=     7.989449      7.607297     -5.671873   |vec|=   12.404532
                2s
                   +0 :               0.00022141455084
                2p
                   -1 :               0.00015144474241
                   +0 :              -0.00010652659463
                   +1 :               0.00020518048754
                3s
                   +0 :              -0.00023647858764
                4s
                   +0 :               0.00010664235328
                3p
                   -1 :              -0.00061119622028
                   +0 :               0.00027004495453
                   +1 :              -0.00046512352959
                4p
                   -1 :               0.00010539458631
                   +0 :               0.00001275157260
                   +1 :               0.00012082442450
                3d
                   -2 :              -0.00029485121223
                   -1 :               0.00025311440298
                   +0 :              -0.00002643529389
                   +1 :               0.00012580308482
                   +2 :               0.00009449741797
              7 vec=     0.209286     12.099176     -5.671873   |vec|=   13.364281
                2s
                   +0 :               0.00003433572206
                2p
                   -1 :              -0.00000823111499
                   +0 :              -0.00002346671478
                   +1 :              -0.00002600565068
                3s
                   +0 :              -0.00012747542836
                4s
                   +0 :              -0.00008864951520
                3p
                   -1 :               0.00012279354048
                   +0 :               0.00006791008530
                   +1 :              -0.00003363961831
                4p
                   -1 :              -0.00009460906934
                   +0 :               0.00003467633964
                   +1 :               0.00000985361453
                3d
                   -2 :              -0.00010543731100
                   -1 :               0.00001654565857
                   +0 :              -0.00002764170446
                   +1 :               0.00001765312416
                   +2 :              -0.00001637790541
              8 vec=    -7.570876    -10.360219     -5.671873   |vec|=   14.029343
                2s
                   +0 :              -0.00029884458188
                2p
                   -1 :               0.00018749224320
                   +0 :               0.00010990234587
                   +1 :              -0.00004738365857
                3s
                   +0 :               0.00095153935864
                4s
                   +0 :              -0.00043914612182
                3p
                   -1 :              -0.00084241238138
                   +0 :              -0.00027001932164
                   +1 :               0.00007817205585
                4p
                   -1 :               0.00029346350521
                   +0 :              -0.00000491568032
                   +1 :               0.00003334041534
                3d
                   -2 :              -0.00006458628381
                   -1 :               0.00024692835726
                   +0 :               0.00001095395136
                   +1 :               0.00002168454540
                   +2 :              -0.00011323842737
              9 vec=     7.989449    -10.360219     -5.671873   |vec|=   14.259579
                2s
                   +0 :               0.00007296011810
                2p
                   -1 :              -0.00005548051796
                   +0 :              -0.00002273565794
                   +1 :               0.00007473908251
                3s
                   +0 :              -0.00024703221309
                4s
                   +0 :               0.00008069021113
                3p
                   -1 :               0.00027432711629
                   +0 :              -0.00001573092962
                   +1 :              -0.00050828220882
                4p
                   -1 :              -0.00009882716387
                   +0 :              -0.00004904391146
                   +1 :               0.00012680420658
                3d
                   -2 :               0.00002687735227
                   -1 :               0.00003632012350
                   +0 :               0.00010217821589
                   +1 :               0.00009326289344
                   +2 :              -0.00000713363112
             10 vec=     0.209286    -14.852098     -5.671873   |vec|=   15.899647
                2s
                   +0 :               0.00006728645357
                2p
                   -1 :              -0.00003757018459
                   +0 :              -0.00001478499690
                   +1 :               0.00004197241025
                3s
                   +0 :              -0.00026302680055
                4s
                   +0 :               0.00006600345927
                3p
                   -1 :               0.00020383391303
                   +0 :               0.00004414073405
                   +1 :              -0.00022862393139
                4p
                   -1 :              -0.00002648442246
                   +0 :               0.00000036661229
                   +1 :               0.00005884668904
                3d
                   -2 :               0.00002813305388
                   -1 :              -0.00005139453672
                   +0 :              -0.00000263108923
                   +1 :               0.00001767933912
                   +2 :               0.00003975758820
             11 vec=   -15.351039      3.115418     -5.671873   |vec|=   16.659243
                2s
                   +0 :              -0.00011647143030
                2p
                   -1 :              -0.00002736051984
                   +0 :               0.00001208241805
                   +1 :               0.00005910622008
                3s
                   +0 :               0.00028175741956
                4s
                   +0 :              -0.00008885507893
                3p
                   -1 :               0.00001496096386
                   +0 :               0.00006345108593
                   +1 :              -0.00019790297800
                4p
                   -1 :              -0.00002934967418
                   +0 :              -0.00002324114414
                   +1 :               0.00004263273903
                3d
                   -2 :              -0.00001807288859
                   -1 :              -0.00004782062257
                   +0 :               0.00005010634241
                   +1 :               0.00006289571875
                   +2 :               0.00005057863281
             12 vec=    15.769612      3.115418     -5.671873   |vec|=   17.045722
                2s
                   +0 :               0.00013301813546
                2p
                   -1 :               0.00005722022344
                   +0 :              -0.00005604664533
                   +1 :               0.00008259824823
                3s
                   +0 :              -0.00036659088438
                4s
                   +0 :               0.00015251754191
                3p
                   -1 :              -0.00024241243009
                   +0 :               0.00026572685892
                   +1 :              -0.00039046498151
                4p
                   -1 :               0.00004374893511
                   +0 :              -0.00005973051500
                   +1 :               0.00011546087395
                3d
                   -2 :              -0.00009228763472
                   -1 :               0.00009687853059
                   +0 :              -0.00001678278150
                   +1 :               0.00013274050370
                   +2 :              -0.00001514719198
             13 vec=   -15.351039     -5.868340     -5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00000765243167
                2p
                   -1 :               0.00000150360387
                   +0 :               0.00000021099605
                   +1 :              -0.00003398944781
                3s
                   +0 :              -0.00014242593663
                4s
                   +0 :               0.00006908295045
                3p
                   -1 :               0.00001971565469
                   +0 :               0.00004583560445
                   +1 :               0.00021005050462
                4p
                   -1 :              -0.00002076880671
                   +0 :              -0.00002583919955
                   +1 :              -0.00007229607076
                3d
                   -2 :              -0.00000980790060
                   -1 :              -0.00000228328915
                   +0 :              -0.00002609029530
                   +1 :              -0.00002454667340
                   +2 :              -0.00002818731405
             14 vec=    15.769612     -5.868340     -5.671873   |vec|=   17.756357
                2s
                   +0 :              -0.00004634436836
                2p
                   -1 :               0.00000613092549
                   +0 :               0.00000332546803
                   +1 :               0.00000201090063
                3s
                   +0 :               0.00015299317404
                4s
                   +0 :               0.00002109054938
                3p
                   -1 :               0.00000634217784
                   +0 :               0.00001290375952
                   +1 :              -0.00004481655270
                4p
                   -1 :              -0.00002930255079
                   +0 :              -0.00002035575542
                   +1 :               0.00005053026202
                3d
                   -2 :              -0.00001951537555
                   -1 :               0.00003682805635
                   +0 :               0.00001121521614
                   +1 :               0.00002110887120
                   +2 :              -0.00007847158313
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al(  9)  npairs=  13
              1 vec=    -2.384101     -1.376461     -9.762967   |vec|=   10.143673
                2s
                   +0 :               0.00017103180140
                2p
                   -1 :              -0.00006391473677
                   +0 :              -0.00007363020141
                   +1 :              -0.00002654381535
                3s
                   +0 :              -0.00025069018609
                4s
                   +0 :              -0.00012214814864
                3p
                   -1 :              -0.00014314807984
                   +0 :              -0.00001126865150
                   +1 :              -0.00084136459704
                4p
                   -1 :              -0.00002496169654
                   +0 :               0.00007109031838
                   +1 :               0.00022298478526
                3d
                   -2 :              -0.00024349281659
                   -1 :               0.00004680703385
                   +0 :               0.00009478413556
                   +1 :               0.00017293053030
                   +2 :               0.00008989578424
              2 vec=     5.396061      3.115418     -9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00036693379837
                2p
                   -1 :              -0.00032645289295
                   +0 :               0.00007699539329
                   +1 :              -0.00000700387180
                3s
                   +0 :               0.00153233701763
                4s
                   +0 :              -0.00072279201584
                3p
                   -1 :               0.00140442940065
                   +0 :              -0.00094710784688
                   +1 :               0.00030168615910
                4p
                   -1 :              -0.00030695140998
                   +0 :               0.00044687372900
                   +1 :              -0.00029366712158
                3d
                   -2 :               0.00005152793884
                   -1 :              -0.00030023760635
                   +0 :               0.00019015463644
                   +1 :               0.00000025217907
                   +2 :              -0.00012500254497
              3 vec=    -2.384101      7.607297     -9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00004908578783
                2p
                   -1 :              -0.00003944798092
                   +0 :              -0.00000746289752
                   +1 :              -0.00000307338860
                3s
                   +0 :              -0.00073127318410
                4s
                   +0 :               0.00006339200164
                3p
                   -1 :              -0.00068010653703
                   +0 :               0.00033043732972
                   +1 :               0.00027977791113
                4p
                   -1 :               0.00003421163497
                   +0 :              -0.00009011127251
                   +1 :               0.00000846595590
                3d
                   -2 :               0.00012517161544
                   -1 :               0.00021345365682
                   +0 :               0.00012562231108
                   +1 :              -0.00003176825350
                   +2 :               0.00023435338571
              4 vec=     5.396061     -5.868340     -9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00006951853381
                2p
                   -1 :              -0.00011859941506
                   +0 :              -0.00013872685692
                   +1 :               0.00027967390253
                3s
                   +0 :              -0.00063690324507
                4s
                   +0 :               0.00032461568677
                3p
                   -1 :               0.00077569850314
                   +0 :               0.00087590667797
                   +1 :              -0.00143874601046
                4p
                   -1 :              -0.00037913037013
                   +0 :              -0.00045286237439
                   +1 :               0.00022212390456
                3d
                   -2 :              -0.00013355378844
                   -1 :              -0.00009004246689
                   +0 :               0.00002330769546
                   +1 :               0.00011512112974
                   +2 :              -0.00002655867512
              5 vec=   -10.164264      3.115418     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00014172228294
                2p
                   -1 :               0.00003047779574
                   +0 :              -0.00002641735209
                   +1 :              -0.00012395136278
                3s
                   +0 :              -0.00043988657802
                4s
                   +0 :               0.00016993253767
                3p
                   -1 :              -0.00041432082879
                   +0 :               0.00021329389880
                   +1 :               0.00080406605099
                4p
                   -1 :               0.00006683404472
                   +0 :              -0.00002694532588
                   +1 :              -0.00016070677400
                3d
                   -2 :              -0.00001913866042
                   -1 :               0.00010551577502
                   +0 :              -0.00006824900715
                   +1 :              -0.00012806689789
                   +2 :              -0.00022214256400
              6 vec=    -2.384101    -10.360219     -9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00011436359437
                2p
                   -1 :               0.00000521387470
                   +0 :               0.00003961693700
                   +1 :              -0.00009014316580
                3s
                   +0 :               0.00019206036708
                4s
                   +0 :              -0.00003495357508
                3p
                   -1 :              -0.00002734050373
                   +0 :              -0.00012498726893
                   +1 :               0.00050066480066
                4p
                   -1 :               0.00000326176729
                   +0 :               0.00001599934183
                   +1 :              -0.00016380403177
                3d
                   -2 :               0.00011720216250
                   -1 :              -0.00000404263874
                   +0 :              -0.00007612568644
                   +1 :              -0.00002990301162
                   +2 :               0.00005088674759
              7 vec=    -2.384101     -1.376461     14.784576   |vec|=   15.038692
                2s
                   +0 :              -0.00004025397721
                2p
                   -1 :              -0.00001663508904
                   +0 :              -0.00000792321777
                   +1 :              -0.00001419792258
                3s
                   +0 :              -0.00000427683971
                4s
                   +0 :               0.00002011001775
                3p
                   -1 :               0.00000042696675
                   +0 :              -0.00006265761960
                   +1 :               0.00008398006320
                4p
                   -1 :               0.00003144966543
                   +0 :               0.00002214918005
                   +1 :              -0.00001504366662
                3d
                   -2 :              -0.00007875990167
                   -1 :              -0.00001036878199
                   +0 :              -0.00004425533545
                   +1 :               0.00004376684305
                   +2 :               0.00007591261766
              8 vec=   -10.164264     -5.868340     -9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00012468389344
                2p
                   -1 :               0.00005036966193
                   +0 :               0.00008546812721
                   +1 :               0.00005235345474
                3s
                   +0 :               0.00051824121613
                4s
                   +0 :              -0.00027790599961
                3p
                   -1 :              -0.00029269030200
                   +0 :              -0.00039276944407
                   +1 :              -0.00039189320709
                4p
                   -1 :               0.00005786262603
                   +0 :               0.00014734402394
                   +1 :               0.00016780609420
                3d
                   -2 :               0.00005857584251
                   -1 :               0.00005870585586
                   +0 :              -0.00003535986910
                   +1 :               0.00008582801450
                   +2 :              -0.00007366784970
              9 vec=     5.396061      3.115418     14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00010530651912
                2p
                   -1 :              -0.00000314387201
                   +0 :              -0.00002673878440
                   +1 :              -0.00002486254339
                3s
                   +0 :               0.00034679671845
                4s
                   +0 :              -0.00009315809407
                3p
                   -1 :              -0.00003799490141
                   +0 :               0.00012291669699
                   +1 :               0.00001748233833
                4p
                   -1 :              -0.00001072523948
                   +0 :              -0.00001509188412
                   +1 :              -0.00000724141969
                3d
                   -2 :               0.00003941529816
                   -1 :              -0.00001304723364
                   +0 :              -0.00002272202734
                   +1 :              -0.00002210859834
                   +2 :               0.00000286257435
             10 vec=     5.396061     12.099176     -9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00004837050696
                2p
                   -1 :              -0.00002319124509
                   +0 :               0.00000731415618
                   +1 :              -0.00000048207255
                3s
                   +0 :               0.00024016773543
                4s
                   +0 :              -0.00005176047165
                3p
                   -1 :               0.00018640211043
                   +0 :              -0.00007633471383
                   +1 :              -0.00006733605200
                4p
                   -1 :              -0.00003821485082
                   +0 :               0.00000127459784
                   +1 :               0.00001225502512
                3d
                   -2 :              -0.00003252299968
                   -1 :              -0.00001600239601
                   +0 :              -0.00001287277170
                   +1 :              -0.00000549605289
                   +2 :              -0.00001943798405
             11 vec=    13.176224     -1.376461     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00014263694281
                2p
                   -1 :              -0.00002105269045
                   +0 :              -0.00002129292305
                   +1 :               0.00008386772458
                3s
                   +0 :              -0.00019839737692
                4s
                   +0 :               0.00007860387000
                3p
                   -1 :               0.00005333598873
                   +0 :              -0.00003150936419
                   +1 :              -0.00024387946335
                4p
                   -1 :              -0.00000229985714
                   +0 :               0.00001639426101
                   +1 :               0.00004121560412
                3d
                   -2 :               0.00001883753941
                   -1 :               0.00001172090482
                   +0 :               0.00003583417199
                   +1 :              -0.00001091901110
                   +2 :              -0.00002804363175
             12 vec=    -2.384101      7.607297     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00000211082301
                2p
                   -1 :               0.00002825263234
                   +0 :               0.00000202474434
                   +1 :               0.00000422220151
                3s
                   +0 :               0.00010939265340
                4s
                   +0 :              -0.00001504515500
                3p
                   -1 :              -0.00007678568614
                   +0 :               0.00010869665305
                   +1 :              -0.00016038931252
                4p
                   -1 :               0.00001877022465
                   +0 :              -0.00000289283788
                   +1 :               0.00001627109068
                3d
                   -2 :              -0.00003044501940
                   -1 :               0.00001657802260
                   +0 :               0.00003686843362
                   +1 :              -0.00004956630629
                   +2 :              -0.00001921554374
             13 vec=     5.396061     -5.868340     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00011542869226
                2p
                   -1 :               0.00000674637282
                   +0 :              -0.00002650539056
                   +1 :              -0.00001654367047
                3s
                   +0 :               0.00044964795338
                4s
                   +0 :              -0.00009034425196
                3p
                   -1 :              -0.00017918045896
                   +0 :               0.00017317306420
                   +1 :               0.00008685360367
                4p
                   -1 :               0.00002854606576
                   +0 :              -0.00001079101179
                   +1 :              -0.00003545610447
                3d
                   -2 :              -0.00004028950456
                   -1 :              -0.00004361332240
                   +0 :              -0.00002529869522
                   +1 :               0.00002584403118
                   +2 :              -0.00006960766789
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al( 10)  npairs=  14
              1 vec=    -2.384101     -1.376461     -2.510641   |vec|=    3.725842
                2s
                   +0 :              -0.02122156249884
                2p
                   -1 :               0.01364888277713
                   +0 :               0.01906337088003
                   +1 :               0.01722810490739
                3s
                   +0 :              -0.06036506321511
                4s
                   +0 :              -0.00903706061314
                3p
                   -1 :               0.01466529114804
                   +0 :               0.05422817693452
                   +1 :               0.01981327663958
                4p
                   -1 :               0.00890369763833
                   +0 :               0.00806336467671
                   +1 :               0.00897782009572
                3d
                   -2 :              -0.01822830465360
                   -1 :              -0.02710543390983
                   +0 :              -0.01984058902151
                   +1 :              -0.02912146910990
                   +2 :              -0.00004641727705
              2 vec=     5.396061      3.115418     -2.510641   |vec|=    6.717635
                2s
                   +0 :              -0.00379680336048
                2p
                   -1 :              -0.00231184074280
                   +0 :               0.00146629338614
                   +1 :              -0.00193630559012
                3s
                   +0 :               0.01067602179178
                4s
                   +0 :              -0.00817738779912
                3p
                   -1 :               0.00864137947432
                   +0 :              -0.00469625985430
                   +1 :               0.00333532572150
                4p
                   -1 :              -0.00368542569265
                   +0 :               0.00260865309754
                   +1 :              -0.00317613014222
                3d
                   -2 :              -0.00007337714708
                   -1 :              -0.00151812246592
                   +0 :               0.00075924127398
                   +1 :              -0.00046856121707
                   +2 :               0.00012626837413
              3 vec=    -2.384101      7.607297     -2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00043880425940
                2p
                   -1 :              -0.00013516253679
                   +0 :               0.00011656606998
                   +1 :              -0.00026723490287
                3s
                   +0 :              -0.00373181755162
                4s
                   +0 :               0.00022703711677
                3p
                   -1 :              -0.00012919777976
                   +0 :               0.00155826531620
                   +1 :              -0.00008121249277
                4p
                   -1 :              -0.00024903963915
                   +0 :               0.00015123714466
                   +1 :              -0.00013257657887
                3d
                   -2 :               0.00014989137008
                   -1 :               0.00077795673780
                   +0 :              -0.00067823721803
                   +1 :               0.00037040965310
                   +2 :              -0.00045970426177
              4 vec=     5.396061     -5.868340     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00094674913481
                2p
                   -1 :              -0.00014721726164
                   +0 :               0.00035091693036
                   +1 :              -0.00077349505727
                3s
                   +0 :               0.00332163397841
                4s
                   +0 :               0.00182853349495
                3p
                   -1 :               0.00579538479891
                   +0 :              -0.00446535082914
                   +1 :               0.00407535413961
                4p
                   -1 :              -0.00294467306831
                   +0 :              -0.00002821202196
                   +1 :              -0.00001842342781
                3d
                   -2 :               0.00112295253080
                   -1 :              -0.00111830566268
                   +0 :               0.00134845043387
                   +1 :              -0.00113086639586
                   +2 :               0.00152107438697
              5 vec=   -10.164264      3.115418     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00058039574131
                2p
                   -1 :               0.00014808960372
                   +0 :              -0.00004181705360
                   +1 :               0.00026538510036
                3s
                   +0 :               0.00065245284342
                4s
                   +0 :               0.00043825683425
                3p
                   -1 :              -0.00146395767216
                   +0 :               0.00016683525618
                   +1 :              -0.00018080391394
                4p
                   -1 :               0.00048371104734
                   +0 :              -0.00016070010243
                   +1 :              -0.00041481707033
                3d
                   -2 :               0.00027573263113
                   -1 :               0.00043940171380
                   +0 :               0.00001370208303
                   +1 :              -0.00010334445262
                   +2 :              -0.00002434762308
              6 vec=    -2.384101    -10.360219     -2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00044907558261
                2p
                   -1 :              -0.00019567160906
                   +0 :              -0.00004031258419
                   +1 :               0.00001239080260
                3s
                   +0 :              -0.00091370737918
                4s
                   +0 :               0.00057484890117
                3p
                   -1 :               0.00040743529841
                   +0 :              -0.00000341329337
                   +1 :              -0.00038003623308
                4p
                   -1 :              -0.00016480300514
                   +0 :              -0.00002836148616
                   +1 :               0.00008367158948
                3d
                   -2 :               0.00010732152531
                   -1 :               0.00007345934166
                   +0 :               0.00019010394776
                   +1 :               0.00008477540122
                   +2 :               0.00002283884686
              7 vec=   -10.164264     -5.868340     -2.510641   |vec|=   12.002208
                2s
                   +0 :              -0.00036940522446
                2p
                   -1 :               0.00011196477073
                   +0 :               0.00013915239862
                   +1 :               0.00017568792593
                3s
                   +0 :               0.00064634958873
                4s
                   +0 :              -0.00045451329398
                3p
                   -1 :              -0.00048669450471
                   +0 :              -0.00010212235145
                   +1 :              -0.00058720475825
                4p
                   -1 :               0.00006914426342
                   +0 :               0.00017073758754
                   +1 :               0.00030324827293
                3d
                   -2 :               0.00010935727421
                   -1 :              -0.00008903155556
                   +0 :              -0.00015852193559
                   +1 :              -0.00015018368790
                   +2 :              -0.00043129572941
              8 vec=     5.396061     12.099176     -2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00000789514099
                2p
                   -1 :               0.00000049871600
                   +0 :              -0.00004213570839
                   +1 :               0.00003412959204
                3s
                   +0 :               0.00055513096130
                4s
                   +0 :              -0.00006763854208
                3p
                   -1 :               0.00034923027995
                   +0 :              -0.00031730143325
                   +1 :              -0.00041289237533
                4p
                   -1 :              -0.00004613226294
                   +0 :              -0.00004752729689
                   +1 :               0.00014641903989
                3d
                   -2 :              -0.00009535558405
                   -1 :              -0.00012178998134
                   +0 :               0.00016203389589
                   +1 :               0.00008699074997
                   +2 :              -0.00006228493650
              9 vec=    13.176224     -1.376461     -2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00004174898830
                2p
                   -1 :              -0.00038989587280
                   +0 :              -0.00028162999140
                   +1 :               0.00001551851727
                3s
                   +0 :               0.00074328272682
                4s
                   +0 :               0.00012112007965
                3p
                   -1 :               0.00161182613047
                   +0 :               0.00027585812121
                   +1 :               0.00038506317073
                4p
                   -1 :              -0.00054485363543
                   +0 :              -0.00012006648148
                   +1 :               0.00002171804602
                3d
                   -2 :               0.00035989324688
                   -1 :               0.00016474414875
                   +0 :               0.00015169075416
                   +1 :               0.00000149817618
                   +2 :               0.00021657585633
             10 vec=    13.176224      7.607297     -2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00002405239245
                2p
                   -1 :               0.00001062559926
                   +0 :              -0.00000855486379
                   +1 :              -0.00003027263527
                3s
                   +0 :               0.00024913566560
                4s
                   +0 :              -0.00010492790072
                3p
                   -1 :               0.00001611832354
                   +0 :               0.00002537734388
                   +1 :               0.00022103296680
                4p
                   -1 :              -0.00005883333712
                   +0 :              -0.00002543316806
                   +1 :              -0.00006318233868
                3d
                   -2 :               0.00004081435236
                   -1 :               0.00001279313271
                   +0 :               0.00000725408855
                   +1 :              -0.00002254278897
                   +2 :               0.00001082591331
             11 vec=   -10.164264     12.099176     -2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00001499829403
                2p
                   -1 :              -0.00003120575365
                   +0 :               0.00004447101940
                   +1 :              -0.00000964262783
                3s
                   +0 :              -0.00008579432374
                4s
                   +0 :              -0.00000383756577
                3p
                   -1 :               0.00014203326135
                   +0 :              -0.00017337376997
                   +1 :               0.00006742134088
                4p
                   -1 :              -0.00003569519034
                   +0 :               0.00005673302586
                   +1 :              -0.00002911695141
                3d
                   -2 :              -0.00003506546092
                   -1 :              -0.00001264600775
                   +0 :              -0.00001279637034
                   +1 :               0.00003090643173
                   +2 :              -0.00000200779082
             12 vec=     5.396061    -14.852098     -2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00005916376832
                2p
                   -1 :               0.00006498846299
                   +0 :              -0.00002155019521
                   +1 :              -0.00000571982027
                3s
                   +0 :               0.00010456303237
                4s
                   +0 :              -0.00009537768463
                3p
                   -1 :              -0.00029509807160
                   +0 :               0.00016820427440
                   +1 :              -0.00005192268522
                4p
                   -1 :               0.00010195083785
                   +0 :              -0.00001059594089
                   +1 :               0.00001028575384
                3d
                   -2 :              -0.00000883779023
                   -1 :               0.00001348743312
                   +0 :              -0.00002451967759
                   +1 :               0.00008443141878
                   +2 :              -0.00006055536103
             13 vec=    -2.384101     16.591055     -2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00001905807489
                2p
                   -1 :              -0.00001719743696
                   +0 :               0.00001088004644
                   +1 :               0.00001155282774
                3s
                   +0 :               0.00002656014488
                4s
                   +0 :              -0.00002085125048
                3p
                   -1 :               0.00009340788527
                   +0 :              -0.00005237917040
                   +1 :              -0.00003355745614
                4p
                   -1 :              -0.00003280929391
                   +0 :               0.00001478064790
                   +1 :               0.00000624505890
                3d
                   -2 :              -0.00000047080130
                   -1 :              -0.00000890151719
                   +0 :              -0.00001838581336
                   +1 :              -0.00001257722582
                   +2 :               0.00000441076946
             14 vec=    13.176224    -10.360219     -2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00002352299850
                2p
                   -1 :              -0.00000135163190
                   +0 :              -0.00001693026708
                   +1 :               0.00000104968354
                3s
                   +0 :               0.00021274255395
                4s
                   +0 :              -0.00011085079877
                3p
                   -1 :              -0.00003833978820
                   +0 :               0.00003483809270
                   +1 :               0.00004931387214
                4p
                   -1 :               0.00001683806524
                   +0 :              -0.00001226214330
                   +1 :              -0.00004352012574
                3d
                   -2 :              -0.00002986639131
                   -1 :              -0.00000042838469
                   +0 :               0.00002763550606
                   +1 :              -0.00002448545966
                   +2 :               0.00001812368371
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al( 11)  npairs=  13
              1 vec=    -2.384101     -1.376461      9.763130   |vec|=   10.143831
                2s
                   +0 :               0.00035172986236
                2p
                   -1 :               0.00014964867240
                   +0 :               0.00005933686851
                   +1 :              -0.00013576769822
                3s
                   +0 :              -0.00064696833973
                4s
                   +0 :               0.00016075243149
                3p
                   -1 :              -0.00109172033533
                   +0 :              -0.00006168797897
                   +1 :              -0.00026605752418
                4p
                   -1 :               0.00035061990003
                   +0 :               0.00002783366141
                   +1 :              -0.00008511266798
                3d
                   -2 :              -0.00018788498325
                   -1 :              -0.00011823324511
                   +0 :               0.00014514798107
                   +1 :              -0.00020713074465
                   +2 :              -0.00054581732881
              2 vec=     5.396061      3.115418      9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00020038687946
                2p
                   -1 :               0.00001971603674
                   +0 :              -0.00016884126257
                   +1 :               0.00010609958496
                3s
                   +0 :               0.00101122929175
                4s
                   +0 :              -0.00058360068705
                3p
                   -1 :               0.00003656080844
                   +0 :               0.00123976796544
                   +1 :              -0.00056701369952
                4p
                   -1 :              -0.00011449103964
                   +0 :              -0.00039451889776
                   +1 :               0.00022450919300
                3d
                   -2 :              -0.00024032879222
                   -1 :               0.00007180620906
                   +0 :               0.00038048986095
                   +1 :               0.00003395611421
                   +2 :               0.00025115322747
              3 vec=    -2.384101      7.607297      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00011648668327
                2p
                   -1 :              -0.00004810828613
                   +0 :               0.00000639462798
                   +1 :              -0.00006929564259
                3s
                   +0 :              -0.00188568419041
                4s
                   +0 :               0.00027837822498
                3p
                   -1 :              -0.00136723325482
                   +0 :              -0.00050299890603
                   +1 :               0.00032106764609
                4p
                   -1 :               0.00009673543207
                   +0 :               0.00007832603040
                   +1 :              -0.00013478371732
                3d
                   -2 :              -0.00006642292679
                   -1 :              -0.00016294252634
                   +0 :               0.00024097667290
                   +1 :               0.00012782044506
                   +2 :               0.00030962974003
              4 vec=     5.396061     -5.868340      9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00002354704780
                2p
                   -1 :              -0.00015677982146
                   +0 :               0.00003644269736
                   +1 :              -0.00007253202911
                3s
                   +0 :               0.00003876201601
                4s
                   +0 :              -0.00014006934840
                3p
                   -1 :               0.00098017268095
                   +0 :              -0.00025404118232
                   +1 :               0.00034574367131
                4p
                   -1 :              -0.00035332304735
                   +0 :               0.00004195834362
                   +1 :              -0.00020807021598
                3d
                   -2 :               0.00023879137688
                   -1 :               0.00014605596379
                   +0 :              -0.00000565792705
                   +1 :              -0.00021239528574
                   +2 :              -0.00013326238719
              5 vec=   -10.164264      3.115418      9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00022695861959
                2p
                   -1 :               0.00004339003997
                   +0 :               0.00006291365202
                   +1 :              -0.00000678696111
                3s
                   +0 :              -0.00065375054009
                4s
                   +0 :               0.00016883280849
                3p
                   -1 :              -0.00013755097632
                   +0 :              -0.00026031295461
                   +1 :              -0.00002851068126
                4p
                   -1 :               0.00002272496480
                   +0 :               0.00005043394306
                   +1 :               0.00004850077636
                3d
                   -2 :              -0.00008199901532
                   -1 :              -0.00005072975029
                   +0 :               0.00001488775961
                   +1 :              -0.00001355768059
                   +2 :               0.00009802664594
              6 vec=    -2.384101    -10.360219      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00002077322660
                2p
                   -1 :              -0.00006751652668
                   +0 :              -0.00001476576535
                   +1 :               0.00016020784005
                3s
                   +0 :               0.00000033792768
                4s
                   +0 :               0.00011892130294
                3p
                   -1 :               0.00047507112315
                   +0 :               0.00010289236004
                   +1 :              -0.00089212281547
                4p
                   -1 :              -0.00020254568801
                   +0 :              -0.00001816246630
                   +1 :               0.00016111143939
                3d
                   -2 :               0.00018942222111
                   -1 :               0.00004774855118
                   +0 :              -0.00003449203611
                   +1 :              -0.00022234391186
                   +2 :               0.00013219753563
              7 vec=    -2.384101     -1.376461    -14.784412   |vec|=   15.038531
                2s
                   +0 :              -0.00007378408501
                2p
                   -1 :               0.00004505594166
                   +0 :               0.00002936633124
                   +1 :               0.00001957214941
                3s
                   +0 :               0.00013160987655
                4s
                   +0 :              -0.00007974506618
                3p
                   -1 :              -0.00024914862227
                   +0 :              -0.00007452559788
                   +1 :              -0.00015566896934
                4p
                   -1 :               0.00002339179337
                   +0 :               0.00003014745020
                   +1 :               0.00004529827085
                3d
                   -2 :              -0.00004969832957
                   -1 :               0.00002260542128
                   +0 :               0.00000068965702
                   +1 :               0.00001257612832
                   +2 :              -0.00007194363361
              8 vec=   -10.164264     -5.868340      9.763130   |vec|=   15.266578
                2s
                   +0 :              -0.00024509832716
                2p
                   -1 :               0.00000666576320
                   +0 :              -0.00012142953493
                   +1 :               0.00014521236323
                3s
                   +0 :               0.00088781071251
                4s
                   +0 :              -0.00019765474312
                3p
                   -1 :               0.00000231675735
                   +0 :               0.00059176639749
                   +1 :              -0.00086838672101
                4p
                   -1 :              -0.00008595182672
                   +0 :              -0.00010590145932
                   +1 :               0.00020986042458
                3d
                   -2 :               0.00010612506782
                   -1 :              -0.00011530777179
                   +0 :              -0.00000112217299
                   +1 :              -0.00024736279406
                   +2 :               0.00013987855955
              9 vec=     5.396061      3.115418    -14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00010702845725
                2p
                   -1 :              -0.00000148475171
                   +0 :               0.00004236709488
                   +1 :              -0.00007200629285
                3s
                   +0 :               0.00055027378728
                4s
                   +0 :              -0.00019035889058
                3p
                   -1 :              -0.00002086062103
                   +0 :              -0.00030172415138
                   +1 :               0.00028407939804
                4p
                   -1 :               0.00000219286124
                   +0 :               0.00007141260611
                   +1 :              -0.00008385141577
                3d
                   -2 :              -0.00001298250342
                   -1 :              -0.00002483499803
                   +0 :               0.00003005482538
                   +1 :              -0.00005562047385
                   +2 :              -0.00001061542483
             10 vec=     5.396061     12.099176      9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00008332697725
                2p
                   -1 :               0.00005402218293
                   +0 :              -0.00000347068382
                   +1 :              -0.00001196256926
                3s
                   +0 :              -0.00019398343883
                4s
                   +0 :               0.00005906117012
                3p
                   -1 :              -0.00021282024094
                   +0 :               0.00010367083374
                   +1 :               0.00004925705613
                4p
                   -1 :               0.00003561252502
                   +0 :              -0.00002631850764
                   +1 :              -0.00002299739233
                3d
                   -2 :               0.00003081152455
                   -1 :               0.00000616266218
                   +0 :               0.00004611107834
                   +1 :               0.00002465401176
                   +2 :               0.00006011551333
             11 vec=    13.176224     -1.376461      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00002984918619
                2p
                   -1 :              -0.00000870058830
                   +0 :              -0.00001626025852
                   +1 :              -0.00000085086655
                3s
                   +0 :               0.00030167779506
                4s
                   +0 :              -0.00008761484807
                3p
                   -1 :              -0.00003847075313
                   +0 :               0.00016674544863
                   +1 :               0.00012892022426
                4p
                   -1 :              -0.00000202021276
                   +0 :              -0.00005009185404
                   +1 :              -0.00003992016642
                3d
                   -2 :              -0.00004838112735
                   -1 :              -0.00003231295024
                   +0 :              -0.00000419069487
                   +1 :               0.00002228403893
                   +2 :              -0.00001304002687
             12 vec=    -2.384101      7.607297    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00000610596516
                2p
                   -1 :              -0.00000953735053
                   +0 :              -0.00000870113288
                   +1 :              -0.00001630506226
                3s
                   +0 :               0.00005939102489
                4s
                   +0 :              -0.00001055160555
                3p
                   -1 :               0.00011389428394
                   +0 :              -0.00005084806950
                   +1 :               0.00001404206767
                4p
                   -1 :              -0.00002523703486
                   +0 :              -0.00000936430691
                   +1 :              -0.00000189681324
                3d
                   -2 :              -0.00002403542326
                   -1 :              -0.00005194443971
                   +0 :               0.00001755061882
                   +1 :               0.00002243420627
                   +2 :              -0.00002751503908
             13 vec=     5.396061     -5.868340    -14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00001118823699
                2p
                   -1 :              -0.00006491168173
                   +0 :              -0.00001352515980
                   +1 :               0.00001873535251
                3s
                   +0 :              -0.00000563659366
                4s
                   +0 :               0.00003866800327
                3p
                   -1 :               0.00016311835616
                   +0 :               0.00009581880380
                   +1 :              -0.00020862662950
                4p
                   -1 :              -0.00005770619161
                   +0 :              -0.00006397286858
                   +1 :               0.00003807624393
                3d
                   -2 :               0.00000975052028
                   -1 :              -0.00001668591841
                   +0 :              -0.00006479218292
                   +1 :               0.00005607502659
                   +2 :              -0.00004720609257
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site Al( 12)  npairs=  14
              1 vec=    -2.384101     -1.376461      2.510804   |vec|=    3.725953
                2s
                   +0 :              -0.01823246321021
                2p
                   -1 :               0.00955804079515
                   +0 :              -0.01830930636931
                   +1 :               0.01714242283215
                3s
                   +0 :              -0.05693299567471
                4s
                   +0 :              -0.00599857332933
                3p
                   -1 :               0.03358716221260
                   +0 :              -0.05319635998195
                   +1 :               0.00882657549665
                4p
                   -1 :               0.00051270181007
                   +0 :              -0.00660204759463
                   +1 :               0.01055337198221
                3d
                   -2 :              -0.01669968730816
                   -1 :               0.02660266611798
                   +0 :              -0.02078106906424
                   +1 :               0.02682678177381
                   +2 :               0.00469974619458
              2 vec=     5.396061      3.115418      2.510804   |vec|=    6.717696
                2s
                   +0 :              -0.00010693407000
                2p
                   -1 :               0.00000890143394
                   +0 :              -0.00049257454373
                   +1 :              -0.00078717687273
                3s
                   +0 :              -0.00705290932222
                4s
                   +0 :              -0.00005493415944
                3p
                   -1 :              -0.00536512278774
                   +0 :              -0.00331177506519
                   +1 :              -0.00255524012216
                4p
                   -1 :               0.00037450322405
                   +0 :               0.00015902606207
                   +1 :              -0.00104058671317
                3d
                   -2 :              -0.00108178164433
                   -1 :               0.00054955021735
                   +0 :              -0.00000169029320
                   +1 :              -0.00081157523486
                   +2 :               0.00109255273459
              3 vec=    -2.384101      7.607297      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00032481333096
                2p
                   -1 :               0.00020481985638
                   +0 :               0.00031082935091
                   +1 :              -0.00020002946008
                3s
                   +0 :              -0.00520460406213
                4s
                   +0 :               0.00197586422022
                3p
                   -1 :              -0.00306174957127
                   +0 :              -0.00442024617045
                   +1 :               0.00103255412935
                4p
                   -1 :               0.00125551631457
                   +0 :               0.00093098577410
                   +1 :              -0.00086671526721
                3d
                   -2 :              -0.00037332340682
                   -1 :              -0.00133417450728
                   +0 :              -0.00041625769683
                   +1 :              -0.00012529990889
                   +2 :              -0.00003870763432
              4 vec=     5.396061     -5.868340      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00112641316404
                2p
                   -1 :              -0.00109593394908
                   +0 :              -0.00046935488409
                   +1 :               0.00031019778855
                3s
                   +0 :              -0.00115417184589
                4s
                   +0 :               0.00108122140654
                3p
                   -1 :               0.00615711008791
                   +0 :               0.00527298805514
                   +1 :              -0.00168156104400
                4p
                   -1 :              -0.00103487853065
                   +0 :              -0.00068199177343
                   +1 :               0.00130198353174
                3d
                   -2 :               0.00161498597715
                   -1 :               0.00036512429447
                   +0 :               0.00256864818561
                   +1 :               0.00122203058561
                   +2 :               0.00138152826469
              5 vec=   -10.164264      3.115418      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00016995198159
                2p
                   -1 :              -0.00007045109771
                   +0 :               0.00005053916080
                   +1 :              -0.00012811437570
                3s
                   +0 :              -0.00075966235036
                4s
                   +0 :               0.00026253698285
                3p
                   -1 :              -0.00005300532030
                   +0 :              -0.00021251837525
                   +1 :               0.00040035487565
                4p
                   -1 :               0.00005986700418
                   +0 :               0.00002048858012
                   +1 :              -0.00013873964111
                3d
                   -2 :              -0.00007564788581
                   -1 :              -0.00035598798090
                   +0 :               0.00029899930502
                   +1 :               0.00011200756290
                   +2 :              -0.00017000014359
              6 vec=    -2.384101    -10.360219      2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00000835985627
                2p
                   -1 :              -0.00020627139894
                   +0 :               0.00016667672445
                   +1 :               0.00003052583203
                3s
                   +0 :               0.00044307974635
                4s
                   +0 :               0.00034620122228
                3p
                   -1 :               0.00073678106339
                   +0 :              -0.00083077696555
                   +1 :              -0.00034272320425
                4p
                   -1 :              -0.00045555679959
                   +0 :               0.00036665647351
                   +1 :               0.00007444702309
                3d
                   -2 :               0.00002227378429
                   -1 :               0.00013120222383
                   +0 :               0.00025481895620
                   +1 :              -0.00017939595501
                   +2 :               0.00022875051884
              7 vec=   -10.164264     -5.868340      2.510804   |vec|=   12.002242
                2s
                   +0 :              -0.00018680491668
                2p
                   -1 :               0.00001961623842
                   +0 :              -0.00021069799617
                   +1 :               0.00016767495121
                3s
                   +0 :               0.00015219940392
                4s
                   +0 :              -0.00034711533419
                3p
                   -1 :              -0.00013999550926
                   +0 :               0.00029103151793
                   +1 :              -0.00045215563198
                4p
                   -1 :               0.00009232558563
                   +0 :              -0.00017100337627
                   +1 :               0.00021168678229
                3d
                   -2 :              -0.00008331581204
                   -1 :              -0.00006951740606
                   +0 :              -0.00001961841615
                   +1 :               0.00016577479073
                   +2 :               0.00016906032104
              8 vec=     5.396061     12.099176      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00013319928811
                2p
                   -1 :               0.00013990080229
                   +0 :               0.00011352888246
                   +1 :              -0.00002513430185
                3s
                   +0 :              -0.00001892061146
                4s
                   +0 :               0.00019153642142
                3p
                   -1 :              -0.00042665272703
                   +0 :              -0.00008198767471
                   +1 :               0.00007569247747
                4p
                   -1 :               0.00020736049235
                   +0 :               0.00013438154209
                   +1 :              -0.00003800884583
                3d
                   -2 :              -0.00001315131480
                   -1 :               0.00009787633653
                   +0 :               0.00021191283046
                   +1 :              -0.00013648496784
                   +2 :              -0.00001408925785
              9 vec=    13.176224     -1.376461      2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00009380883585
                2p
                   -1 :               0.00013522542347
                   +0 :              -0.00004098304860
                   +1 :               0.00000737595376
                3s
                   +0 :               0.00164063041213
                4s
                   +0 :              -0.00036655262359
                3p
                   -1 :              -0.00132471172794
                   +0 :               0.00111098780193
                   +1 :               0.00048032851087
                4p
                   -1 :               0.00028837721509
                   +0 :              -0.00009342450455
                   +1 :              -0.00009343220539
                3d
                   -2 :              -0.00032177697732
                   -1 :              -0.00022647806162
                   +0 :               0.00033217654916
                   +1 :               0.00031231222215
                   +2 :               0.00001092661453
             10 vec=    13.176224      7.607297      2.510804   |vec|=   15.420376
                2s
                   +0 :              -0.00004771262801
                2p
                   -1 :              -0.00001140711142
                   +0 :              -0.00002455919297
                   +1 :              -0.00003474904871
                3s
                   +0 :               0.00030764761975
                4s
                   +0 :              -0.00011886452150
                3p
                   -1 :               0.00006209043925
                   +0 :               0.00017214214828
                   +1 :               0.00021110905282
                4p
                   -1 :              -0.00001106555274
                   +0 :              -0.00003865389393
                   +1 :              -0.00009061691977
                3d
                   -2 :              -0.00001410034108
                   -1 :               0.00005503226063
                   +0 :              -0.00002226448866
                   +1 :               0.00001372894583
                   +2 :               0.00002305403977
             11 vec=   -10.164264     12.099176      2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00001236493208
                2p
                   -1 :              -0.00003752206068
                   +0 :              -0.00002431749198
                   +1 :              -0.00006121930781
                3s
                   +0 :              -0.00022563022845
                4s
                   +0 :               0.00008330147458
                3p
                   -1 :               0.00008477578823
                   +0 :               0.00002218718837
                   +1 :               0.00030651532017
                4p
                   -1 :              -0.00000216964721
                   +0 :               0.00000639643969
                   +1 :              -0.00008742594571
                3d
                   -2 :               0.00000357115749
                   -1 :              -0.00002863704215
                   +0 :              -0.00002039957155
                   +1 :              -0.00004170652369
                   +2 :              -0.00002771281917
             12 vec=     5.396061    -14.852098      2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00008560177818
                2p
                   -1 :               0.00007194454385
                   +0 :               0.00000142694474
                   +1 :              -0.00003980425446
                3s
                   +0 :               0.00016925063891
                4s
                   +0 :              -0.00008929397381
                3p
                   -1 :              -0.00027842252701
                   +0 :              -0.00006315586672
                   +1 :               0.00013365518406
                4p
                   -1 :               0.00008717580863
                   +0 :              -0.00000421951451
                   +1 :              -0.00004935306616
                3d
                   -2 :               0.00002367135142
                   -1 :              -0.00000787624401
                   +0 :              -0.00007000405756
                   +1 :              -0.00002081867712
                   +2 :              -0.00002959564390
             13 vec=    -2.384101     16.591055      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00000752625170
                2p
                   -1 :               0.00000544710491
                   +0 :               0.00000530708238
                   +1 :               0.00000090371768
                3s
                   +0 :              -0.00004305850047
                4s
                   +0 :               0.00000067485995
                3p
                   -1 :              -0.00000482801380
                   +0 :              -0.00002931148234
                   +1 :              -0.00003782741639
                4p
                   -1 :              -0.00000325522060
                   +0 :              -0.00000400320967
                   +1 :               0.00003105111367
                3d
                   -2 :              -0.00000307446201
                   -1 :              -0.00000188750261
                   +0 :              -0.00001328978482
                   +1 :               0.00000218532624
                   +2 :               0.00000073157077
             14 vec=    13.176224    -10.360219      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00003781670957
                2p
                   -1 :              -0.00001925111347
                   +0 :               0.00001753081787
                   +1 :               0.00000269918413
                3s
                   +0 :              -0.00004829530181
                4s
                   +0 :               0.00003744987800
                3p
                   -1 :               0.00004451392935
                   +0 :              -0.00004034150718
                   +1 :              -0.00001300851809
                4p
                   -1 :              -0.00000704288339
                   +0 :               0.00002510740969
                   +1 :               0.00000495992770
                3d
                   -2 :              -0.00000933691919
                   -1 :              -0.00002105652415
                   +0 :              -0.00001418146400
                   +1 :              -0.00001645479833
                   +2 :               0.00000308728504
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 13)  npairs=  14
              1 vec=    -2.593647      1.739106     -4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00001595837046
                2s
                   +0 :              -0.02633471071002
                3s
                   +0 :              -0.00115398858445
                2p
                   -1 :              -0.00418088097869
                   +0 :               0.02228299682553
                   +1 :               0.00688160287962
                3p
                   -1 :              -0.00650661441661
                   +0 :              -0.00052293359538
                   +1 :               0.00274990708570
                3d
                   -2 :               0.00060702765894
                   -1 :               0.00090705242709
                   +0 :              -0.00061185139850
                   +1 :              -0.00134630204973
                   +2 :               0.00024882590372
              2 vec=     5.186516     -2.752773     -4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00115462793130
                2s
                   +0 :               0.01100298610916
                3s
                   +0 :              -0.00508764168663
                2p
                   -1 :              -0.00594046472327
                   +0 :              -0.01176662382496
                   +1 :               0.01399988558755
                3p
                   -1 :               0.00343934153784
                   +0 :               0.00786109307326
                   +1 :              -0.01090309831448
                3d
                   -2 :               0.00055312271557
                   -1 :              -0.00048907599581
                   +0 :              -0.00051084400291
                   +1 :               0.00104563495664
                   +2 :              -0.00045297650689
              3 vec=    -2.593647     -7.244652     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00015964841581
                2s
                   +0 :              -0.00085303395575
                3s
                   +0 :               0.00045062526670
                2p
                   -1 :              -0.00016959961589
                   +0 :               0.00285158760055
                   +1 :              -0.00184947687715
                3p
                   -1 :               0.00037477129400
                   +0 :              -0.00064395635079
                   +1 :               0.00085347981026
                3d
                   -2 :              -0.00005508463478
                   -1 :              -0.00005812059143
                   +0 :              -0.00016821047004
                   +1 :               0.00007830599724
                   +2 :               0.00003452844685
              4 vec=     5.186516      6.230985     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00008151795348
                2s
                   +0 :              -0.00071983477702
                3s
                   +0 :               0.00047473856420
                2p
                   -1 :              -0.00029212786909
                   +0 :              -0.00084574423042
                   +1 :               0.00187339762561
                3p
                   -1 :               0.00078625562421
                   +0 :              -0.00002054724450
                   +1 :              -0.00145014064388
                3d
                   -2 :              -0.00002610923560
                   -1 :               0.00008541852364
                   +0 :               0.00003825007954
                   +1 :               0.00000134995126
                   +2 :              -0.00001526226470
              5 vec=   -10.373810     -2.752773     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00018298432360
                2s
                   +0 :               0.00073879244970
                3s
                   +0 :              -0.00079500261397
                2p
                   -1 :               0.00061369688046
                   +0 :               0.00038534712410
                   +1 :              -0.00083093303879
                3p
                   -1 :              -0.00029413680993
                   +0 :               0.00019021748449
                   +1 :               0.00134309414216
                3d
                   -2 :              -0.00001565035325
                   -1 :              -0.00005037659827
                   +0 :               0.00002100501387
                   +1 :               0.00001650636255
                   +2 :              -0.00007887103103
              6 vec=    -2.593647     10.722864     -4.091257   |vec|=   11.766274
                1s
                   +0 :               0.00005387967504
                2s
                   +0 :              -0.00054161805509
                3s
                   +0 :               0.00016189260324
                2p
                   -1 :              -0.00053123629191
                   +0 :               0.00011209995930
                   +1 :               0.00000943844184
                3p
                   -1 :               0.00036068024878
                   +0 :              -0.00009258002506
                   +1 :              -0.00016646086149
                3d
                   -2 :              -0.00001740735385
                   -1 :              -0.00000998197343
                   +0 :               0.00000082805067
                   +1 :               0.00000692681571
                   +2 :              -0.00002123741265
              7 vec=   -10.373810      6.230985     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00004704518526
                2s
                   +0 :              -0.00005647223009
                3s
                   +0 :              -0.00018908106535
                2p
                   -1 :               0.00041161033702
                   +0 :               0.00008214142250
                   +1 :              -0.00014779835863
                3p
                   -1 :              -0.00040656210151
                   +0 :               0.00014883221064
                   +1 :               0.00034950535679
                3d
                   -2 :               0.00000836163264
                   -1 :              -0.00000807995173
                   +0 :               0.00000966040790
                   +1 :              -0.00001392622494
                   +2 :              -0.00001459635909
              8 vec=     5.186516    -11.736531     -4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00002069937718
                2s
                   +0 :               0.00022306514703
                3s
                   +0 :               0.00007412457075
                2p
                   -1 :               0.00026902604587
                   +0 :              -0.00014430016967
                   +1 :               0.00011217845923
                3p
                   -1 :              -0.00031125531653
                   +0 :              -0.00007802971727
                   +1 :              -0.00018787379361
                3d
                   -2 :               0.00003092281235
                   -1 :               0.00003642171244
                   +0 :               0.00002136985481
                   +1 :               0.00000979030719
                   +2 :              -0.00004301045415
              9 vec=    12.966678      1.739106     -4.091257   |vec|=   13.707575
                1s
                   +0 :               0.00010306681883
                2s
                   +0 :              -0.00018092879884
                3s
                   +0 :               0.00036549599360
                2p
                   -1 :               0.00000158937087
                   +0 :               0.00004038941314
                   +1 :               0.00070069580445
                3p
                   -1 :               0.00005031299311
                   +0 :              -0.00011732702881
                   +1 :              -0.00056093653365
                3d
                   -2 :              -0.00000020330706
                   -1 :               0.00001429046907
                   +0 :               0.00001877852778
                   +1 :               0.00002254274877
                   +2 :              -0.00001923454391
             10 vec=    12.966678     -7.244652     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00001785100580
                2s
                   +0 :              -0.00006081425004
                3s
                   +0 :               0.00013464414922
                2p
                   -1 :               0.00013505020939
                   +0 :               0.00007345606411
                   +1 :              -0.00002496120310
                3p
                   -1 :              -0.00017092120581
                   +0 :              -0.00010730559012
                   +1 :               0.00008108930722
                3d
                   -2 :              -0.00001963231549
                   -1 :               0.00001895447088
                   +0 :              -0.00000968671964
                   +1 :              -0.00000935788760
                   +2 :              -0.00000704374855
             11 vec=   -10.373810    -11.736531     -4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00000164077776
                2s
                   +0 :              -0.00006052556422
                3s
                   +0 :              -0.00005279173942
                2p
                   -1 :              -0.00008012975225
                   +0 :               0.00007183721380
                   +1 :              -0.00000771981695
                3p
                   -1 :               0.00017947771240
                   +0 :               0.00000468069665
                   +1 :               0.00006260453468
                3d
                   -2 :              -0.00002532071916
                   -1 :              -0.00000056483532
                   +0 :               0.00001101999779
                   +1 :              -0.00001210140911
                   +2 :               0.00001243063770
             12 vec=     5.186516     15.214743     -4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00000519053800
                2s
                   +0 :              -0.00002441989780
                3s
                   +0 :               0.00000602993410
                2p
                   -1 :               0.00005112630272
                   +0 :               0.00005141454428
                   +1 :              -0.00003709223232
                3p
                   -1 :              -0.00001359095051
                   +0 :              -0.00003969069844
                   +1 :               0.00000033159587
                3d
                   -2 :               0.00000597993317
                   -1 :               0.00000223861709
                   +0 :               0.00000212682604
                   +1 :              -0.00000198458585
                   +2 :              -0.00000080327300
             13 vec=    -2.593647    -16.228410     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00001868157255
                2s
                   +0 :              -0.00012440241392
                3s
                   +0 :               0.00006371144251
                2p
                   -1 :               0.00010310008031
                   +0 :              -0.00007213249518
                   +1 :               0.00001308017089
                3p
                   -1 :              -0.00009108528486
                   +0 :               0.00002811557061
                   +1 :              -0.00001882509265
                3d
                   -2 :               0.00000148210585
                   -1 :               0.00000329890190
                   +0 :               0.00000018436052
                   +1 :               0.00000044726378
                   +2 :              -0.00000529309239
             14 vec=    12.966678     10.722864     -4.091257   |vec|=   17.316262
                1s
                   +0 :              -0.00002111533972
                2s
                   +0 :               0.00018122978052
                3s
                   +0 :              -0.00005522913332
                2p
                   -1 :               0.00001886477708
                   +0 :              -0.00005798315321
                   +1 :               0.00015167121988
                3p
                   -1 :               0.00000360264362
                   +0 :               0.00003158753073
                   +1 :              -0.00008419383077
                3d
                   -2 :               0.00000413353955
                   -1 :              -0.00000182387797
                   +0 :              -0.00000010700020
                   +1 :               0.00000340561137
                   +2 :               0.00000124492957
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 14)  npairs=  14
              1 vec=     0.418832     -2.752773     -4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00069996492704
                2s
                   +0 :               0.01162626764117
                3s
                   +0 :              -0.00165923006584
                2p
                   -1 :              -0.00441164052189
                   +0 :              -0.00495999453659
                   +1 :              -0.00751426830786
                3p
                   -1 :               0.00336059962296
                   +0 :              -0.00120968303418
                   +1 :              -0.00415750165160
                3d
                   -2 :               0.00134093653889
                   -1 :               0.00028429342605
                   +0 :               0.00096720721275
                   +1 :               0.00163375115153
                   +2 :              -0.00016824398684
              2 vec=     0.418832      6.230985     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00022037765985
                2s
                   +0 :              -0.00142482459744
                3s
                   +0 :               0.00087833160018
                2p
                   -1 :              -0.00010871690337
                   +0 :               0.00083246457697
                   +1 :              -0.00128627800585
                3p
                   -1 :               0.00006400987428
                   +0 :              -0.00055850499298
                   +1 :               0.00050592265246
                3d
                   -2 :               0.00008278417352
                   -1 :               0.00001636088692
                   +0 :              -0.00001352508415
                   +1 :               0.00001717642612
                   +2 :              -0.00001083527061
              3 vec=    -7.361331      1.739106     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00042709543222
                2s
                   +0 :              -0.00177830363740
                3s
                   +0 :               0.00063379620689
                2p
                   -1 :              -0.00155947029734
                   +0 :               0.00029948854918
                   +1 :               0.00175382936057
                3p
                   -1 :               0.00071590816981
                   +0 :               0.00153966200185
                   +1 :              -0.00122654356831
                3d
                   -2 :              -0.00011306816284
                   -1 :               0.00009451498057
                   +0 :              -0.00028657637784
                   +1 :               0.00007002817823
                   +2 :               0.00017022698307
              4 vec=     8.198995      1.739106     -4.091257   |vec|=    9.326649
                1s
                   +0 :              -0.00065203900834
                2s
                   +0 :               0.00374102485834
                3s
                   +0 :              -0.00142849276004
                2p
                   -1 :               0.00169867402281
                   +0 :              -0.00215382397944
                   +1 :               0.00160194009280
                3p
                   -1 :              -0.00097155023891
                   +0 :               0.00011397617987
                   +1 :              -0.00043353273172
                3d
                   -2 :              -0.00013524349086
                   -1 :              -0.00012171169506
                   +0 :               0.00017066318535
                   +1 :               0.00012478465460
                   +2 :              -0.00011812811204
              5 vec=    -7.361331     -7.244652     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00004770818892
                2s
                   +0 :              -0.00028646128334
                3s
                   +0 :              -0.00008936139323
                2p
                   -1 :               0.00165102512187
                   +0 :               0.00021824855784
                   +1 :               0.00090881987721
                3p
                   -1 :              -0.00116458923153
                   +0 :              -0.00000896525390
                   +1 :              -0.00059756554014
                3d
                   -2 :               0.00009055658235
                   -1 :              -0.00000467693038
                   +0 :              -0.00011782631575
                   +1 :              -0.00000370734265
                   +2 :              -0.00002776952330
              6 vec=     8.198995     -7.244652     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00004468283362
                2s
                   +0 :              -0.00006280613494
                3s
                   +0 :               0.00021873324056
                2p
                   -1 :              -0.00021224274719
                   +0 :              -0.00006406780847
                   +1 :               0.00003794455533
                3p
                   -1 :               0.00001353305466
                   +0 :               0.00003659386217
                   +1 :               0.00017548074665
                3d
                   -2 :              -0.00012218415933
                   -1 :               0.00005179434686
                   +0 :              -0.00006256383387
                   +1 :               0.00001590313513
                   +2 :              -0.00002284052962
              7 vec=     0.418832    -11.736531     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00000125083169
                2s
                   +0 :              -0.00007599461309
                3s
                   +0 :              -0.00004339895406
                2p
                   -1 :              -0.00024568063062
                   +0 :               0.00021185258788
                   +1 :              -0.00017583569514
                3p
                   -1 :               0.00026617300290
                   +0 :               0.00004987478324
                   +1 :               0.00020664906147
                3d
                   -2 :              -0.00003598401401
                   -1 :              -0.00002711835305
                   +0 :               0.00000674740146
                   +1 :              -0.00001836314310
                   +2 :               0.00001463918558
              8 vec=    -7.361331     10.722864     -4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00001484593456
                2s
                   +0 :              -0.00032510691841
                3s
                   +0 :              -0.00005101386582
                2p
                   -1 :              -0.00021674047436
                   +0 :               0.00010265576110
                   +1 :               0.00003078611963
                3p
                   -1 :              -0.00004779935025
                   +0 :               0.00018706373507
                   +1 :               0.00010206907113
                3d
                   -2 :               0.00002538980548
                   -1 :               0.00001743915064
                   +0 :               0.00000885783388
                   +1 :              -0.00001176729592
                   +2 :               0.00001797518155
              9 vec=     8.198995     10.722864     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00005454133832
                2s
                   +0 :               0.00050809379371
                3s
                   +0 :              -0.00012019147383
                2p
                   -1 :               0.00012785334703
                   +0 :              -0.00008206463347
                   +1 :               0.00013496889837
                3p
                   -1 :               0.00004670181564
                   +0 :              -0.00006702033432
                   +1 :               0.00000795836894
                3d
                   -2 :              -0.00000111467501
                   -1 :              -0.00000569742621
                   +0 :              -0.00000182448692
                   +1 :               0.00001054789772
                   +2 :              -0.00001187661882
             10 vec=     0.418832     15.214743     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000126370953
                2s
                   +0 :              -0.00000800941442
                3s
                   +0 :              -0.00002001388958
                2p
                   -1 :              -0.00008009208639
                   +0 :              -0.00007987945987
                   +1 :              -0.00005131988969
                3p
                   -1 :               0.00001970554136
                   +0 :               0.00008005478453
                   +1 :              -0.00001159518442
                3d
                   -2 :              -0.00000304087797
                   -1 :              -0.00000010483176
                   +0 :               0.00000188039323
                   +1 :              -0.00000481773898
                   +2 :              -0.00000324315690
             11 vec=   -15.141493     -2.752773     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00007429768672
                2s
                   +0 :              -0.00053873404929
                3s
                   +0 :               0.00020374125758
                2p
                   -1 :               0.00015362500188
                   +0 :               0.00015247893527
                   +1 :               0.00029566096773
                3p
                   -1 :              -0.00011168821553
                   +0 :              -0.00013071065772
                   +1 :              -0.00009980877298
                3d
                   -2 :               0.00000789235066
                   -1 :               0.00001144339382
                   +0 :               0.00001427180334
                   +1 :               0.00001304299031
                   +2 :              -0.00000568147824
             12 vec=    15.979157     -2.752773     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00002317273005
                2s
                   +0 :               0.00018887008719
                3s
                   +0 :              -0.00005316507459
                2p
                   -1 :               0.00012157537666
                   +0 :              -0.00008949363832
                   +1 :               0.00045807236290
                3p
                   -1 :              -0.00012844861297
                   +0 :               0.00004655425433
                   +1 :              -0.00032950513883
                3d
                   -2 :               0.00000387283863
                   -1 :               0.00000513450348
                   +0 :               0.00001095577651
                   +1 :               0.00000892916971
                   +2 :              -0.00002384821414
             13 vec=   -15.141493      6.230985     -4.091257   |vec|=   16.876859
                1s
                   +0 :               0.00001841197117
                2s
                   +0 :              -0.00012285891173
                3s
                   +0 :               0.00004138395195
                2p
                   -1 :               0.00003093818218
                   +0 :               0.00007189216809
                   +1 :               0.00007013034803
                3p
                   -1 :              -0.00002967482627
                   +0 :              -0.00003439635772
                   +1 :               0.00001402224073
                3d
                   -2 :               0.00000131827939
                   -1 :               0.00000103008142
                   +0 :              -0.00000033857756
                   +1 :               0.00000693828608
                   +2 :               0.00000725362658
             14 vec=    15.979157      6.230985     -4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000231556644
                2s
                   +0 :               0.00001474857673
                3s
                   +0 :               0.00000446974201
                2p
                   -1 :              -0.00000349313624
                   +0 :               0.00000288619713
                   +1 :               0.00000477288198
                3p
                   -1 :               0.00004668052097
                   +0 :              -0.00003636895457
                   +1 :               0.00004274155623
                3d
                   -2 :               0.00000619416220
                   -1 :              -0.00000257636818
                   +0 :              -0.00000664057822
                   +1 :               0.00000388927614
                   +2 :              -0.00000797459096
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 15)  npairs=  14
              1 vec=     2.802674      1.376162     -4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00038072383219
                2s
                   +0 :               0.03234033941317
                3s
                   +0 :               0.00092518816943
                2p
                   -1 :               0.00744128952517
                   +0 :              -0.02352941234896
                   +1 :               0.00633315453916
                3p
                   -1 :               0.00136480653371
                   +0 :              -0.00082925348760
                   +1 :               0.00129290829956
                3d
                   -2 :               0.00052408476566
                   -1 :              -0.00132530175657
                   +0 :               0.00171425196112
                   +1 :              -0.00155368945189
                   +2 :               0.00006413776484
              2 vec=    -4.977489     -3.115717     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00153077221939
                2s
                   +0 :              -0.00980051171449
                3s
                   +0 :               0.00521884932315
                2p
                   -1 :               0.00293072274934
                   +0 :               0.00169896069618
                   +1 :               0.00985742493093
                3p
                   -1 :              -0.00110320592520
                   +0 :              -0.00054055149419
                   +1 :              -0.00808857372026
                3d
                   -2 :               0.00044017002907
                   -1 :               0.00019703020240
                   +0 :              -0.00026736990390
                   +1 :               0.00021879263140
                   +2 :               0.00036015884483
              3 vec=    -4.977489      5.868041     -4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00007518302144
                2s
                   +0 :              -0.00001058818342
                3s
                   +0 :              -0.00025246009242
                2p
                   -1 :              -0.00122884791159
                   +0 :              -0.00139591338918
                   +1 :               0.00134875651199
                3p
                   -1 :               0.00050715392907
                   +0 :               0.00044391080214
                   +1 :              -0.00086752481264
                3d
                   -2 :              -0.00008709613167
                   -1 :               0.00000525151839
                   +0 :              -0.00001342609828
                   +1 :               0.00014366578900
                   +2 :               0.00001831237508
              4 vec=     2.802674     -7.607596     -4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00007042671936
                2s
                   +0 :               0.00008988311588
                3s
                   +0 :              -0.00007077155064
                2p
                   -1 :               0.00177783810277
                   +0 :              -0.00289270260451
                   +1 :              -0.00242513890622
                3p
                   -1 :              -0.00188971704488
                   +0 :               0.00124874237433
                   +1 :               0.00162636658914
                3d
                   -2 :              -0.00007886013661
                   -1 :              -0.00003022474495
                   +0 :              -0.00001729128682
                   +1 :              -0.00011146724854
                   +2 :               0.00000116218156
              5 vec=     2.802674     10.359920     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00008874014725
                2s
                   +0 :               0.00064158275719
                3s
                   +0 :              -0.00032521137744
                2p
                   -1 :               0.00054678780262
                   +0 :              -0.00026436729226
                   +1 :              -0.00015500921097
                3p
                   -1 :              -0.00036866957636
                   +0 :               0.00015236562827
                   +1 :               0.00003002230650
                3d
                   -2 :               0.00000491958900
                   -1 :               0.00001754310688
                   +0 :              -0.00002937459142
                   +1 :              -0.00000388452363
                   +2 :               0.00003178263518
              6 vec=    10.582837     -3.115717     -4.091257   |vec|=   11.766159
                1s
                   +0 :              -0.00003117215280
                2s
                   +0 :               0.00039727707457
                3s
                   +0 :               0.00001558297188
                2p
                   -1 :              -0.00097692623839
                   +0 :              -0.00079044721002
                   +1 :              -0.00061056483531
                3p
                   -1 :               0.00070598829490
                   +0 :               0.00048391080825
                   +1 :               0.00079446277447
                3d
                   -2 :               0.00000416320876
                   -1 :               0.00002298261301
                   +0 :               0.00004010635724
                   +1 :               0.00005955541749
                   +2 :               0.00011735766868
              7 vec=    10.582837      5.868041     -4.091257   |vec|=   12.773751
                1s
                   +0 :              -0.00002213664417
                2s
                   +0 :               0.00058120944111
                3s
                   +0 :              -0.00006165693978
                2p
                   -1 :              -0.00000099832168
                   +0 :               0.00028138120517
                   +1 :              -0.00004439127342
                3p
                   -1 :               0.00004033891021
                   +0 :              -0.00022795011435
                   +1 :               0.00007155210448
                3d
                   -2 :              -0.00004078389918
                   -1 :               0.00000218062472
                   +0 :               0.00003290744685
                   +1 :              -0.00000555372323
                   +2 :               0.00001873081170
              8 vec=   -12.757651      1.376162     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00004746416726
                2s
                   +0 :              -0.00085568737633
                3s
                   +0 :               0.00001477605352
                2p
                   -1 :              -0.00058117676928
                   +0 :               0.00082554068089
                   +1 :               0.00031437647110
                3p
                   -1 :               0.00040238520040
                   +0 :              -0.00017628562950
                   +1 :              -0.00016540738860
                3d
                   -2 :              -0.00000339387834
                   -1 :               0.00001095156702
                   +0 :              -0.00002057222886
                   +1 :              -0.00000405287002
                   +2 :              -0.00002048333932
              9 vec=    -4.977489    -12.099475     -4.091257   |vec|=   13.708066
                1s
                   +0 :               0.00004786963807
                2s
                   +0 :              -0.00041039498035
                3s
                   +0 :               0.00012514916600
                2p
                   -1 :              -0.00004692971803
                   +0 :               0.00032589259300
                   +1 :              -0.00000839299083
                3p
                   -1 :               0.00010573814557
                   +0 :              -0.00004872221166
                   +1 :              -0.00009638183594
                3d
                   -2 :               0.00002736818283
                   -1 :              -0.00000022410454
                   +0 :              -0.00000776431805
                   +1 :               0.00002568173261
                   +2 :              -0.00001797374887
             10 vec=   -12.757651     -7.607596     -4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00003849596554
                2s
                   +0 :              -0.00028859464894
                3s
                   +0 :               0.00006560159121
                2p
                   -1 :               0.00028237607712
                   +0 :               0.00011120044915
                   +1 :               0.00012224855422
                3p
                   -1 :              -0.00014610109822
                   +0 :              -0.00003621614652
                   +1 :              -0.00002170839161
                3d
                   -2 :              -0.00000143241289
                   -1 :               0.00000338741433
                   +0 :              -0.00000080206463
                   +1 :               0.00000288688486
                   +2 :              -0.00001058305139
             11 vec=    -4.977489     14.851799     -4.091257   |vec|=   16.189185
                1s
                   +0 :              -0.00000905350016
                2s
                   +0 :               0.00003037166752
                3s
                   +0 :              -0.00004455870819
                2p
                   -1 :               0.00000491115220
                   +0 :               0.00002340860931
                   +1 :               0.00000206971928
                3p
                   -1 :              -0.00003610759450
                   +0 :               0.00001130888408
                   +1 :              -0.00000896379043
                3d
                   -2 :              -0.00000169722578
                   -1 :               0.00000247174809
                   +0 :               0.00000072055805
                   +1 :               0.00000335483744
                   +2 :              -0.00000155281041
             12 vec=    10.582837    -12.099475     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00003232270802
                2s
                   +0 :               0.00021414102906
                3s
                   +0 :              -0.00006896701595
                2p
                   -1 :              -0.00015091251521
                   +0 :               0.00003369270926
                   +1 :               0.00009319795714
                3p
                   -1 :               0.00001329485895
                   +0 :              -0.00010499709395
                   +1 :              -0.00001168634916
                3d
                   -2 :              -0.00000489207236
                   -1 :               0.00000007535622
                   +0 :              -0.00000536228196
                   +1 :              -0.00001134754241
                   +2 :               0.00000776728679
             13 vec=   -12.757651     10.359920     -4.091257   |vec|=   16.935879
                1s
                   +0 :               0.00001256406191
                2s
                   +0 :              -0.00007469864559
                3s
                   +0 :               0.00003005149090
                2p
                   -1 :              -0.00005895778428
                   +0 :               0.00002836120831
                   +1 :               0.00003464215620
                3p
                   -1 :               0.00001668771085
                   +0 :               0.00003984412389
                   +1 :              -0.00001690330576
                3d
                   -2 :               0.00000004918559
                   -1 :              -0.00000356997747
                   +0 :              -0.00000167022547
                   +1 :              -0.00000418166150
                   +2 :              -0.00000279447782
             14 vec=     2.802674    -16.591354     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000897537554
                2s
                   +0 :               0.00004914792946
                3s
                   +0 :              -0.00003465458076
                2p
                   -1 :              -0.00004005333809
                   +0 :               0.00005483048074
                   +1 :               0.00001916120831
                3p
                   -1 :               0.00003237641495
                   +0 :              -0.00004996807771
                   +1 :              -0.00001451625596
                3d
                   -2 :              -0.00000636653609
                   -1 :               0.00000159648789
                   +0 :               0.00000119609959
                   +1 :              -0.00000163815823
                   +2 :               0.00000266114914
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 16)  npairs=  14
              1 vec=     0.418832     -0.000150      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00000791085529
                2s
                   +0 :               0.00003506584915
                3s
                   +0 :               0.00017115511735
                2p
                   -1 :              -0.00214976507643
                   +0 :               0.00149554628346
                   +1 :              -0.00086294221051
                3p
                   -1 :               0.00192635204679
                   +0 :              -0.00103665179113
                   +1 :              -0.00044184241873
                3d
                   -2 :               0.00000979915571
                   -1 :               0.00015115322530
                   +0 :              -0.00017445057362
                   +1 :              -0.00001435847533
                   +2 :               0.00003627514240
              2 vec=    -7.361331      4.491729      8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00006798648442
                2s
                   +0 :              -0.00008908912824
                3s
                   +0 :              -0.00038317344181
                2p
                   -1 :              -0.00018967169154
                   +0 :              -0.00035148615231
                   +1 :              -0.00055346266656
                3p
                   -1 :              -0.00017991639216
                   +0 :              -0.00026705694224
                   +1 :               0.00049167919675
                3d
                   -2 :               0.00000868196907
                   -1 :              -0.00005813653074
                   +0 :               0.00000983711151
                   +1 :              -0.00000027949991
                   +2 :               0.00002652063260
              3 vec=    -7.361331     -4.492029      8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00010091781378
                2s
                   +0 :               0.00066242987517
                3s
                   +0 :              -0.00029548609992
                2p
                   -1 :               0.00076112576775
                   +0 :               0.00060136017430
                   +1 :               0.00082827018647
                3p
                   -1 :              -0.00065356684235
                   +0 :              -0.00040045328155
                   +1 :              -0.00093086633736
                3d
                   -2 :               0.00007246139663
                   -1 :              -0.00007686832443
                   +0 :              -0.00002868931604
                   +1 :              -0.00002798370983
                   +2 :               0.00004933153475
              4 vec=     0.418832      8.983608      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00006172876132
                2s
                   +0 :              -0.00037808982613
                3s
                   +0 :               0.00029127442945
                2p
                   -1 :              -0.00032979951199
                   +0 :              -0.00031288928375
                   +1 :              -0.00052815183889
                3p
                   -1 :               0.00040405949064
                   +0 :               0.00026299905809
                   +1 :               0.00017727242014
                3d
                   -2 :              -0.00003407880367
                   -1 :               0.00006655617676
                   +0 :               0.00001200547817
                   +1 :               0.00000835742286
                   +2 :              -0.00005600309648
              5 vec=     0.418832     -8.983908      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00000030978219
                2s
                   +0 :               0.00008204054043
                3s
                   +0 :              -0.00010656406677
                2p
                   -1 :               0.00024129684702
                   +0 :               0.00004060634908
                   +1 :               0.00026713528444
                3p
                   -1 :              -0.00026483507894
                   +0 :              -0.00001159714098
                   +1 :              -0.00056185989652
                3d
                   -2 :               0.00008070288687
                   -1 :               0.00001091869394
                   +0 :               0.00000788550927
                   +1 :              -0.00002279292807
                   +2 :               0.00004687562150
              6 vec=     8.198995      4.491729      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00007180468529
                2s
                   +0 :               0.00085643694832
                3s
                   +0 :              -0.00013340917718
                2p
                   -1 :               0.00051936651328
                   +0 :               0.00029958477887
                   +1 :               0.00063761667025
                3p
                   -1 :              -0.00021097918850
                   +0 :               0.00019050437490
                   +1 :              -0.00033946219703
                3d
                   -2 :              -0.00002664298556
                   -1 :               0.00005605840129
                   +0 :               0.00003784658571
                   +1 :               0.00000482297801
                   +2 :              -0.00001173280942
              7 vec=     8.198995     -4.492029      8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00000593081358
                2s
                   +0 :               0.00013414311656
                3s
                   +0 :               0.00001902524933
                2p
                   -1 :              -0.00083543292883
                   +0 :               0.00077138790064
                   +1 :               0.00050829749082
                3p
                   -1 :               0.00058842166027
                   +0 :              -0.00060509271266
                   +1 :              -0.00035031931814
                3d
                   -2 :               0.00002196291705
                   -1 :               0.00004724442852
                   +0 :              -0.00001326295770
                   +1 :              -0.00002686260191
                   +2 :               0.00001046402451
              8 vec=     0.418832     -0.000150    -16.365028   |vec|=   16.370387
                1s
                   +0 :               0.00000677281603
                2s
                   +0 :              -0.00007606496343
                3s
                   +0 :               0.00002444706646
                2p
                   -1 :              -0.00001458511597
                   +0 :               0.00001219054723
                   +1 :               0.00012027509834
                3p
                   -1 :               0.00000246667860
                   +0 :              -0.00000074758044
                   +1 :              -0.00011317792144
                3d
                   -2 :               0.00000035598240
                   -1 :               0.00000008329528
                   +0 :              -0.00000469675358
                   +1 :               0.00001027172892
                   +2 :               0.00000480223219
              9 vec=   -15.141493     -0.000150      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00000781896042
                2s
                   +0 :              -0.00010842142382
                3s
                   +0 :              -0.00002120451470
                2p
                   -1 :               0.00011865569731
                   +0 :              -0.00011221124543
                   +1 :               0.00008443788465
                3p
                   -1 :              -0.00006191491587
                   +0 :               0.00004675028982
                   +1 :               0.00002877446481
                3d
                   -2 :               0.00000161140647
                   -1 :              -0.00000117859550
                   +0 :               0.00000443821569
                   +1 :               0.00000103656212
                   +2 :              -0.00000831242941
             10 vec=    -7.361331     13.475487      8.182514   |vec|=   17.399180
                1s
                   +0 :               0.00002293662887
                2s
                   +0 :              -0.00017737238185
                3s
                   +0 :               0.00006200621041
                2p
                   -1 :              -0.00017175925719
                   +0 :              -0.00007295169894
                   +1 :               0.00004976790241
                3p
                   -1 :               0.00008854563016
                   +0 :               0.00002883877484
                   +1 :              -0.00004188192062
                3d
                   -2 :              -0.00000257980428
                   -1 :               0.00000221500558
                   +0 :               0.00000032061607
                   +1 :              -0.00000560267070
                   +2 :              -0.00000301482264
             11 vec=    -7.361331    -13.475787      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000250126467
                2s
                   +0 :              -0.00000622154142
                3s
                   +0 :              -0.00001281733269
                2p
                   -1 :              -0.00008542614372
                   +0 :              -0.00001452553384
                   +1 :               0.00004772845631
                3p
                   -1 :               0.00010682795119
                   +0 :              -0.00000999445879
                   +1 :              -0.00003231438975
                3d
                   -2 :              -0.00000210427043
                   -1 :              -0.00000060301877
                   +0 :               0.00000283674440
                   +1 :               0.00000235810573
                   +2 :               0.00000276654120
             12 vec=     8.198995     13.475487      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000155736574
                2s
                   +0 :               0.00003387110534
                3s
                   +0 :               0.00001685032698
                2p
                   -1 :              -0.00004755050722
                   +0 :               0.00004118262193
                   +1 :               0.00005527343134
                3p
                   -1 :               0.00009592352717
                   +0 :              -0.00000644063131
                   +1 :              -0.00003836840630
                3d
                   -2 :               0.00000250724288
                   -1 :               0.00000570552643
                   +0 :               0.00000575590837
                   +1 :              -0.00000247489206
                   +2 :              -0.00000467715754
             13 vec=     8.198995    -13.475787      8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00000959479819
                2s
                   +0 :              -0.00004693032918
                3s
                   +0 :               0.00004771964766
                2p
                   -1 :               0.00000443069493
                   +0 :               0.00002122760103
                   +1 :               0.00001670898267
                3p
                   -1 :              -0.00001619138908
                   +0 :               0.00000259906959
                   +1 :              -0.00000196094692
                3d
                   -2 :              -0.00000428895838
                   -1 :              -0.00000290568909
                   +0 :              -0.00000230114548
                   +1 :               0.00000268742364
                   +2 :               0.00000027890739
             14 vec=    15.979157     -0.000150      8.182514   |vec|=   17.952354
                1s
                   +0 :              -0.00001643347044
                2s
                   +0 :               0.00014231866427
                3s
                   +0 :              -0.00004167251882
                2p
                   -1 :              -0.00004255684877
                   +0 :               0.00003188650452
                   +1 :               0.00008792398391
                3p
                   -1 :               0.00001540884032
                   +0 :              -0.00000502968510
                   +1 :              -0.00001765427957
                3d
                   -2 :              -0.00000341739255
                   -1 :              -0.00000061328818
                   +0 :               0.00000264178526
                   +1 :              -0.00000334923929
                   +2 :               0.00000015593636
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 17)  npairs=  15
              1 vec=     5.186516     -0.000150      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00013630229211
                2s
                   +0 :               0.00119822442831
                3s
                   +0 :               0.00006142576238
                2p
                   -1 :              -0.00104570165546
                   +0 :               0.00184643853411
                   +1 :              -0.00136665805792
                3p
                   -1 :              -0.00014741922654
                   +0 :              -0.00043264863320
                   +1 :               0.00170822166269
                3d
                   -2 :              -0.00004012953964
                   -1 :              -0.00017851921037
                   +0 :              -0.00005558650729
                   +1 :               0.00017464612964
                   +2 :               0.00010660836247
              2 vec=    -2.593647      4.491729      8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00018532684839
                2s
                   +0 :              -0.00216258645788
                3s
                   +0 :              -0.00003080068307
                2p
                   -1 :              -0.00134270888567
                   +0 :              -0.00299024707810
                   +1 :               0.00021438872496
                3p
                   -1 :              -0.00050379637367
                   +0 :               0.00007950374828
                   +1 :              -0.00012819223060
                3d
                   -2 :              -0.00000118805784
                   -1 :              -0.00020533310596
                   +0 :              -0.00008277033540
                   +1 :               0.00009841804966
                   +2 :               0.00007979422915
              3 vec=    -2.593647     -4.492029      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00017813078292
                2s
                   +0 :               0.00126249721728
                3s
                   +0 :              -0.00037873006569
                2p
                   -1 :               0.00014709527107
                   +0 :               0.00118863869326
                   +1 :              -0.00298617937310
                3p
                   -1 :              -0.00045927009711
                   +0 :              -0.00065763228330
                   +1 :               0.00216070121204
                3d
                   -2 :               0.00000063295506
                   -1 :               0.00001471893996
                   +0 :               0.00007657919394
                   +1 :               0.00015715562729
                   +2 :              -0.00000921594970
              4 vec=     5.186516      8.983608      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00001644718765
                2s
                   +0 :               0.00022836153862
                3s
                   +0 :               0.00007152306742
                2p
                   -1 :               0.00034798776469
                   +0 :               0.00024177132112
                   +1 :               0.00027435989797
                3p
                   -1 :              -0.00010097530471
                   +0 :              -0.00028490030158
                   +1 :              -0.00020080468355
                3d
                   -2 :               0.00001441173833
                   -1 :              -0.00000930338905
                   +0 :              -0.00001828811192
                   +1 :              -0.00002371293452
                   +2 :              -0.00001104953797
              5 vec=     5.186516     -8.983908      8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001237191326
                2s
                   +0 :               0.00009778411260
                3s
                   +0 :              -0.00005895046794
                2p
                   -1 :              -0.00036316729454
                   +0 :              -0.00006977252471
                   +1 :              -0.00016304671971
                3p
                   -1 :               0.00033333353149
                   +0 :               0.00011431486305
                   +1 :               0.00011280376113
                3d
                   -2 :               0.00003400762337
                   -1 :              -0.00000092838027
                   +0 :               0.00001336997954
                   +1 :              -0.00000408038577
                   +2 :               0.00000046547778
              6 vec=   -10.373810     -0.000150      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00000396884936
                2s
                   +0 :              -0.00050582585255
                3s
                   +0 :              -0.00000650868262
                2p
                   -1 :               0.00056411025263
                   +0 :              -0.00003594814388
                   +1 :               0.00042201662334
                3p
                   -1 :              -0.00037343627291
                   +0 :              -0.00017785248402
                   +1 :              -0.00016733546422
                3d
                   -2 :              -0.00000861216062
                   -1 :               0.00001193001098
                   +0 :              -0.00004880872777
                   +1 :               0.00000820675797
                   +2 :               0.00002457184782
              7 vec=    12.966678      4.491729      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000916178038
                2s
                   +0 :               0.00001317044652
                3s
                   +0 :               0.00004895133542
                2p
                   -1 :               0.00006365190182
                   +0 :               0.00003108923578
                   +1 :               0.00005884050389
                3p
                   -1 :              -0.00003101182274
                   +0 :               0.00003876705150
                   +1 :              -0.00000442457549
                3d
                   -2 :              -0.00000807486552
                   -1 :              -0.00000532575088
                   +0 :               0.00000173094942
                   +1 :               0.00000779598360
                   +2 :               0.00000532572148
              8 vec=    12.966678     -4.492029      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000273561060
                2s
                   +0 :               0.00006308499503
                3s
                   +0 :               0.00000660226603
                2p
                   -1 :              -0.00012152491754
                   +0 :               0.00011806260533
                   +1 :              -0.00011689217396
                3p
                   -1 :               0.00007192240067
                   +0 :              -0.00004938360254
                   +1 :               0.00014525672653
                3d
                   -2 :               0.00000972745444
                   -1 :              -0.00000382724923
                   +0 :              -0.00000344199453
                   +1 :              -0.00000194711190
                   +2 :               0.00000814235833
              9 vec=    -2.593647     13.475487      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00001734098287
                2s
                   +0 :              -0.00008987635324
                3s
                   +0 :               0.00005229669263
                2p
                   -1 :              -0.00002012150919
                   +0 :              -0.00001609116770
                   +1 :              -0.00005908183991
                3p
                   -1 :               0.00002183157346
                   +0 :               0.00001239955990
                   +1 :               0.00000765961901
                3d
                   -2 :               0.00000227082838
                   -1 :              -0.00000572877117
                   +0 :               0.00000925966016
                   +1 :              -0.00000855482912
                   +2 :              -0.00000643906232
             10 vec=   -10.373810      8.983608      8.182514   |vec|=   15.977318
                1s
                   +0 :               0.00002096564952
                2s
                   +0 :              -0.00013296353754
                3s
                   +0 :              -0.00000092212146
                2p
                   -1 :              -0.00006040768963
                   +0 :               0.00000976585984
                   +1 :               0.00030703262901
                3p
                   -1 :               0.00001741649495
                   +0 :              -0.00004675516770
                   +1 :              -0.00021880942280
                3d
                   -2 :              -0.00000984198742
                   -1 :              -0.00000435305941
                   +0 :              -0.00001333813481
                   +1 :               0.00000383013786
                   +2 :              -0.00000232303126
             11 vec=    -2.593647    -13.475787      8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001919578872
                2s
                   +0 :               0.00009231156412
                3s
                   +0 :              -0.00005214572723
                2p
                   -1 :              -0.00011141803030
                   +0 :              -0.00007712962974
                   +1 :              -0.00023101530657
                3p
                   -1 :               0.00010781240879
                   +0 :               0.00001080402696
                   +1 :               0.00018028480245
                3d
                   -2 :              -0.00000756074136
                   -1 :              -0.00000133720715
                   +0 :              -0.00000243319946
                   +1 :              -0.00000582749897
                   +2 :              -0.00000568474378
             12 vec=   -10.373810     -8.983908      8.182514   |vec|=   15.977486
                1s
                   +0 :              -0.00003062025878
                2s
                   +0 :               0.00016414433669
                3s
                   +0 :              -0.00011432625442
                2p
                   -1 :              -0.00008245182569
                   +0 :              -0.00020441426228
                   +1 :               0.00001013208539
                3p
                   -1 :               0.00008339771026
                   +0 :               0.00015032182274
                   +1 :               0.00002572237180
                3d
                   -2 :              -0.00001197801734
                   -1 :               0.00000975390570
                   +0 :               0.00002060986183
                   +1 :              -0.00000385109247
                   +2 :               0.00001001073388
             13 vec=     5.186516     -0.000150    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000859673283
                2s
                   +0 :              -0.00005511534793
                3s
                   +0 :               0.00002593343043
                2p
                   -1 :              -0.00009309126718
                   +0 :              -0.00002394897200
                   +1 :              -0.00001541924635
                3p
                   -1 :               0.00007203189771
                   +0 :              -0.00000331814486
                   +1 :              -0.00001053539850
                3d
                   -2 :               0.00000963341601
                   -1 :              -0.00000590119775
                   +0 :              -0.00000487679151
                   +1 :              -0.00000115164401
                   +2 :               0.00000253072291
             14 vec=    -2.593647      4.491729    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00001152381162
                2s
                   +0 :               0.00007927511126
                3s
                   +0 :              -0.00002691301525
                2p
                   -1 :               0.00001743831194
                   +0 :              -0.00003915659471
                   +1 :               0.00002581056971
                3p
                   -1 :              -0.00000670119126
                   +0 :               0.00000985866490
                   +1 :              -0.00001368045444
                3d
                   -2 :              -0.00000437345553
                   -1 :              -0.00000234759612
                   +0 :               0.00000480212563
                   +1 :              -0.00000042408718
                   +2 :              -0.00000008813751
             15 vec=    -2.593647     -4.492029    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00002302794639
                2s
                   +0 :              -0.00022417642321
                3s
                   +0 :               0.00004293959806
                2p
                   -1 :               0.00000699653469
                   +0 :               0.00009768441293
                   +1 :              -0.00009648357612
                3p
                   -1 :               0.00001461053677
                   +0 :              -0.00001659136313
                   +1 :               0.00004142926154
                3d
                   -2 :               0.00000155086298
                   -1 :              -0.00000472841417
                   +0 :              -0.00000382147977
                   +1 :               0.00000296404179
                   +2 :              -0.00000139494911
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 18)  npairs=  15
              1 vec=     2.802674     -4.129085      8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00032983105223
                2s
                   +0 :              -0.00202812818735
                3s
                   +0 :               0.00095957070313
                2p
                   -1 :               0.00099612148355
                   +0 :              -0.00121467944951
                   +1 :               0.00051240476898
                3p
                   -1 :              -0.00041705991565
                   +0 :               0.00060289952667
                   +1 :              -0.00052594588257
                3d
                   -2 :               0.00009777463909
                   -1 :               0.00002371986555
                   +0 :              -0.00007719779475
                   +1 :              -0.00000161985818
                   +2 :              -0.00017113689864
              2 vec=    -4.977489      0.362794      8.182514   |vec|=    9.584391
                1s
                   +0 :               0.00016677395826
                2s
                   +0 :              -0.00142019406185
                3s
                   +0 :               0.00008337217378
                2p
                   -1 :              -0.00076553759244
                   +0 :              -0.00186155933045
                   +1 :              -0.00042773648686
                3p
                   -1 :               0.00147529936743
                   +0 :               0.00044026888960
                   +1 :               0.00097159306744
                3d
                   -2 :              -0.00004007589840
                   -1 :               0.00017782489319
                   +0 :              -0.00001002996349
                   +1 :               0.00012222646682
                   +2 :              -0.00006480756257
              3 vec=     2.802674      4.854673      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00033984934425
                2s
                   +0 :               0.00312614498312
                3s
                   +0 :              -0.00057492974443
                2p
                   -1 :               0.00282931931382
                   +0 :               0.00205672782053
                   +1 :               0.00060123582954
                3p
                   -1 :              -0.00107013036829
                   +0 :              -0.00007562354647
                   +1 :              -0.00070190300670
                3d
                   -2 :              -0.00005525297045
                   -1 :               0.00002759678812
                   +0 :               0.00013226826539
                   +1 :              -0.00010725278168
                   +2 :              -0.00004322633933
              4 vec=    -4.977489     -8.620964      8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00007179737705
                2s
                   +0 :              -0.00062543749605
                3s
                   +0 :               0.00025909975871
                2p
                   -1 :              -0.00029847431204
                   +0 :              -0.00027224494202
                   +1 :               0.00050437689359
                3p
                   -1 :               0.00019843234193
                   +0 :               0.00003234655631
                   +1 :              -0.00037128224610
                3d
                   -2 :               0.00004930042161
                   -1 :               0.00000223512566
                   +0 :              -0.00003813352006
                   +1 :              -0.00003476753086
                   +2 :              -0.00000614867636
              5 vec=    10.582837      0.362794      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00006237175294
                2s
                   +0 :               0.00087850613430
                3s
                   +0 :              -0.00019326870141
                2p
                   -1 :               0.00002960199349
                   +0 :               0.00050928040226
                   +1 :               0.00028341121307
                3p
                   -1 :              -0.00009194117991
                   +0 :              -0.00020441771139
                   +1 :              -0.00000336912403
                3d
                   -2 :              -0.00004103152803
                   -1 :              -0.00000371789386
                   +0 :              -0.00000717762751
                   +1 :              -0.00002187321880
                   +2 :              -0.00000032516597
              6 vec=    -4.977489      9.346552      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00003042701519
                2s
                   +0 :              -0.00005968146634
                3s
                   +0 :              -0.00008426374949
                2p
                   -1 :               0.00013186260023
                   +0 :               0.00027554049601
                   +1 :               0.00017921583667
                3p
                   -1 :              -0.00029387695940
                   +0 :              -0.00017908502787
                   +1 :              -0.00015412698997
                3d
                   -2 :              -0.00000523903390
                   -1 :              -0.00001000393285
                   +0 :              -0.00002287232981
                   +1 :              -0.00004059379212
                   +2 :               0.00002776565649
              7 vec=     2.802674    -13.112843      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00002426372747
                2s
                   +0 :              -0.00014919631099
                3s
                   +0 :               0.00010179356510
                2p
                   -1 :               0.00007621775517
                   +0 :               0.00003809195331
                   +1 :               0.00004462081810
                3p
                   -1 :              -0.00004846402563
                   +0 :               0.00002261710823
                   +1 :              -0.00009418756600
                3d
                   -2 :               0.00000848542369
                   -1 :              -0.00000429362715
                   +0 :               0.00000206796881
                   +1 :              -0.00001442823169
                   +2 :              -0.00000240256341
              8 vec=   -12.757651     -4.129085      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00001064689523
                2s
                   +0 :              -0.00010884556854
                3s
                   +0 :              -0.00000169807234
                2p
                   -1 :               0.00007133433142
                   +0 :              -0.00008787533527
                   +1 :              -0.00003754639626
                3p
                   -1 :               0.00000997159123
                   +0 :              -0.00004697520183
                   +1 :               0.00010059902338
                3d
                   -2 :               0.00001435909745
                   -1 :              -0.00001937089080
                   +0 :               0.00000404741399
                   +1 :               0.00001462491236
                   +2 :              -0.00000527616870
              9 vec=    10.582837     -8.620964      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00005034097133
                2s
                   +0 :              -0.00028935455702
                3s
                   +0 :               0.00018315883404
                2p
                   -1 :               0.00010290420540
                   +0 :              -0.00000806353757
                   +1 :              -0.00010921216415
                3p
                   -1 :              -0.00011770229739
                   +0 :               0.00001132194241
                   +1 :               0.00011306383716
                3d
                   -2 :              -0.00000777048272
                   -1 :               0.00000641568159
                   +0 :               0.00000175384772
                   +1 :               0.00000289576485
                   +2 :              -0.00000844099222
             10 vec=   -12.757651      4.854673      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00001382809800
                2s
                   +0 :              -0.00013745952465
                3s
                   +0 :               0.00000772382281
                2p
                   -1 :              -0.00024023054846
                   +0 :              -0.00003663403876
                   +1 :               0.00005019916616
                3p
                   -1 :               0.00016251199708
                   +0 :              -0.00006132367249
                   +1 :              -0.00001365727579
                3d
                   -2 :              -0.00001699188020
                   -1 :               0.00000719449235
                   +0 :              -0.00000523628491
                   +1 :               0.00001504955632
                   +2 :               0.00000473299750
             11 vec=    10.582837      9.346552      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00000502333142
                2s
                   +0 :               0.00007528957106
                3s
                   +0 :               0.00000119289680
                2p
                   -1 :               0.00008271194745
                   +0 :               0.00011612442876
                   +1 :               0.00004844483059
                3p
                   -1 :              -0.00001912849037
                   +0 :              -0.00006350162680
                   +1 :               0.00001405401374
                3d
                   -2 :               0.00000101989080
                   -1 :              -0.00000467062290
                   +0 :              -0.00000932709807
                   +1 :              -0.00000232770035
                   +2 :              -0.00000045899565
             12 vec=     2.802674     13.838431      8.182514   |vec|=   16.319029
                1s
                   +0 :              -0.00002668294395
                2s
                   +0 :               0.00015266218321
                3s
                   +0 :              -0.00007060833076
                2p
                   -1 :               0.00004562653277
                   +0 :               0.00000921224891
                   +1 :               0.00003256621583
                3p
                   -1 :              -0.00001686555328
                   +0 :               0.00000876854114
                   +1 :              -0.00005122229780
                3d
                   -2 :              -0.00000340767011
                   -1 :              -0.00000344843954
                   +0 :               0.00000195990520
                   +1 :              -0.00000051362760
                   +2 :               0.00000299140171
             13 vec=     2.802674     -4.129085    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00001943371312
                2s
                   +0 :              -0.00013527173242
                3s
                   +0 :               0.00005001941970
                2p
                   -1 :              -0.00000098255258
                   +0 :               0.00005028854445
                   +1 :              -0.00000272089507
                3p
                   -1 :              -0.00003384459239
                   +0 :              -0.00006123836056
                   +1 :              -0.00003023565668
                3d
                   -2 :               0.00000185149859
                   -1 :               0.00000365256650
                   +0 :               0.00000450144753
                   +1 :               0.00000470583538
                   +2 :              -0.00000141580034
             14 vec=    -4.977489      0.362794    -16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00001033203422
                2s
                   +0 :               0.00005841059559
                3s
                   +0 :              -0.00004373826371
                2p
                   -1 :              -0.00012870070144
                   +0 :              -0.00007896391029
                   +1 :              -0.00005344066593
                3p
                   -1 :               0.00007628766580
                   +0 :               0.00005664970955
                   +1 :               0.00004318252328
                3d
                   -2 :               0.00000282312673
                   -1 :              -0.00000470167437
                   +0 :               0.00000357937914
                   +1 :              -0.00000043902239
                   +2 :              -0.00000031710117
             15 vec=     2.802674      4.854673    -16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000576059303
                2s
                   +0 :               0.00001163936751
                3s
                   +0 :              -0.00002183839451
                2p
                   -1 :               0.00008837331691
                   +0 :              -0.00010750022629
                   +1 :              -0.00016091392925
                3p
                   -1 :              -0.00005903420155
                   +0 :               0.00011646786855
                   +1 :               0.00009419169640
                3d
                   -2 :               0.00000421771846
                   -1 :               0.00000083385615
                   +0 :              -0.00000402691371
                   +1 :              -0.00000141195973
                   +2 :               0.00000329133099
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 19)  npairs=  14
              1 vec=     2.593388      1.738956      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00222835888688
                2s
                   +0 :               0.04013141961920
                3s
                   +0 :              -0.00468643292500
                2p
                   -1 :               0.00818574745739
                   +0 :               0.02070753076450
                   +1 :               0.01585056111607
                3p
                   -1 :               0.00076963206683
                   +0 :               0.00033043773951
                   +1 :              -0.00755808651330
                3d
                   -2 :               0.00054716226678
                   -1 :               0.00176677094599
                   +0 :               0.00133007287931
                   +1 :               0.00047080959784
                   +2 :              -0.00046654173126
              2 vec=    -5.186775     -2.752923      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00119076231161
                2s
                   +0 :              -0.00698878387579
                3s
                   +0 :               0.00401603306188
                2p
                   -1 :               0.00245097516497
                   +0 :               0.00039856741081
                   +1 :               0.00792528543627
                3p
                   -1 :              -0.00183649314189
                   +0 :              -0.00102046044161
                   +1 :              -0.00657635767279
                3d
                   -2 :               0.00037838887355
                   -1 :              -0.00010037746340
                   +0 :              -0.00024192995837
                   +1 :              -0.00020426276268
                   +2 :               0.00016697341028
              3 vec=     2.593388     -7.244802      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00019362584664
                2s
                   +0 :              -0.00135567659678
                3s
                   +0 :               0.00057519259749
                2p
                   -1 :               0.00123504801935
                   +0 :               0.00214053981947
                   +1 :               0.00012978565246
                3p
                   -1 :              -0.00068191999193
                   +0 :              -0.00085990381066
                   +1 :              -0.00061083043499
                3d
                   -2 :               0.00013793215112
                   -1 :              -0.00012167443358
                   +0 :               0.00008540485324
                   +1 :              -0.00010316811636
                   +2 :              -0.00002923642053
              4 vec=    -5.186775      6.230835      4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00011614281820
                2s
                   +0 :              -0.00068108668159
                3s
                   +0 :               0.00024287163240
                2p
                   -1 :              -0.00236590545857
                   +0 :              -0.00106882044011
                   +1 :               0.00153448356897
                3p
                   -1 :               0.00186133504875
                   +0 :               0.00100341416333
                   +1 :              -0.00108542253598
                3d
                   -2 :              -0.00007351260549
                   -1 :               0.00007756419571
                   +0 :              -0.00001133752452
                   +1 :              -0.00001492933231
                   +2 :              -0.00001860402840
              5 vec=    10.373550     -2.752923      4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00013315803324
                2s
                   +0 :               0.00130061342464
                3s
                   +0 :              -0.00048802558958
                2p
                   -1 :              -0.00068492326182
                   +0 :               0.00003678800185
                   +1 :               0.00134785395177
                3p
                   -1 :               0.00058383778406
                   +0 :               0.00021271109075
                   +1 :              -0.00085560205235
                3d
                   -2 :               0.00007802996292
                   -1 :               0.00005710947569
                   +0 :               0.00001239754881
                   +1 :               0.00009137146520
                   +2 :               0.00000182134251
              6 vec=     2.593388     10.722714      4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00001086691838
                2s
                   +0 :              -0.00001527091557
                3s
                   +0 :               0.00007149049282
                2p
                   -1 :              -0.00006035192742
                   +0 :              -0.00038047718270
                   +1 :              -0.00026429049307
                3p
                   -1 :               0.00024671163043
                   +0 :               0.00036893727372
                   +1 :               0.00011006919065
                3d
                   -2 :               0.00003131675583
                   -1 :               0.00002779781416
                   +0 :              -0.00006479815894
                   +1 :              -0.00003181657790
                   +2 :              -0.00004158277482
              7 vec=    10.373550      6.230835      4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00003256020976
                2s
                   +0 :               0.00067720597890
                3s
                   +0 :              -0.00008590399919
                2p
                   -1 :              -0.00033945619151
                   +0 :               0.00019095108397
                   +1 :               0.00038831630627
                3p
                   -1 :               0.00023772137422
                   +0 :              -0.00008353370511
                   +1 :              -0.00019228459032
                3d
                   -2 :               0.00002429023795
                   -1 :              -0.00002284291590
                   +0 :               0.00001171540473
                   +1 :               0.00000913631392
                   +2 :              -0.00001336819803
              8 vec=    -5.186775    -11.736681      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00001705130606
                2s
                   +0 :              -0.00010335097713
                3s
                   +0 :              -0.00007514809107
                2p
                   -1 :               0.00029683552769
                   +0 :              -0.00022429625174
                   +1 :              -0.00056081100407
                3p
                   -1 :              -0.00029399848736
                   +0 :              -0.00000579709668
                   +1 :               0.00039601656755
                3d
                   -2 :              -0.00000732804359
                   -1 :               0.00002337108926
                   +0 :               0.00000194184701
                   +1 :              -0.00001508518045
                   +2 :              -0.00002867439587
              9 vec=   -12.966938      1.738956      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00004311364989
                2s
                   +0 :              -0.00069429864725
                3s
                   +0 :               0.00000491554998
                2p
                   -1 :               0.00012342634868
                   +0 :              -0.00038415608978
                   +1 :              -0.00010647931620
                3p
                   -1 :              -0.00024374686568
                   +0 :              -0.00003463661989
                   +1 :               0.00022484404068
                3d
                   -2 :               0.00000474803103
                   -1 :              -0.00003686853239
                   +0 :              -0.00002476941293
                   +1 :              -0.00000001179765
                   +2 :               0.00000606255874
             10 vec=   -12.966938     -7.244802      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00003408457929
                2s
                   +0 :              -0.00024452101420
                3s
                   +0 :               0.00005298604635
                2p
                   -1 :               0.00007365750917
                   +0 :              -0.00009630186051
                   +1 :               0.00019838179519
                3p
                   -1 :               0.00000358643761
                   +0 :               0.00004950916715
                   +1 :              -0.00008888539402
                3d
                   -2 :              -0.00000802534196
                   -1 :              -0.00000352909997
                   +0 :              -0.00000707678787
                   +1 :              -0.00000075384048
                   +2 :               0.00000779429798
             11 vec=    10.373550    -11.736681      4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00000891512179
                2s
                   +0 :               0.00012771609183
                3s
                   +0 :              -0.00003913613647
                2p
                   -1 :              -0.00010801791052
                   +0 :               0.00009217149553
                   +1 :               0.00006575573711
                3p
                   -1 :               0.00002482894520
                   +0 :              -0.00005280872336
                   +1 :              -0.00001680851331
                3d
                   -2 :               0.00000035052304
                   -1 :               0.00000933697066
                   +0 :              -0.00001427719648
                   +1 :              -0.00000521314327
                   +2 :              -0.00000285256158
             12 vec=    -5.186775     15.214593      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00001798263114
                2s
                   +0 :              -0.00012954697251
                3s
                   +0 :               0.00003814293490
                2p
                   -1 :              -0.00006217449337
                   +0 :               0.00004387218341
                   +1 :              -0.00003702255180
                3p
                   -1 :              -0.00000255689482
                   +0 :              -0.00007104825080
                   +1 :               0.00002647837791
                3d
                   -2 :              -0.00000112683272
                   -1 :              -0.00000464334087
                   +0 :              -0.00000184298628
                   +1 :              -0.00000493886891
                   +2 :              -0.00000310608111
             13 vec=     2.593388    -16.228560      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00000718643707
                2s
                   +0 :               0.00005107226806
                3s
                   +0 :              -0.00002714161466
                2p
                   -1 :              -0.00001781179457
                   +0 :               0.00003450942228
                   +1 :              -0.00002275192455
                3p
                   -1 :               0.00000852086336
                   +0 :              -0.00002834646336
                   +1 :               0.00000971828102
                3d
                   -2 :              -0.00000535581021
                   -1 :              -0.00000211951073
                   +0 :               0.00000255462059
                   +1 :              -0.00000123785667
                   +2 :              -0.00000095730884
             14 vec=   -12.966938     10.722714      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000630515173
                2s
                   +0 :              -0.00007641970895
                3s
                   +0 :              -0.00000011695498
                2p
                   -1 :              -0.00005102722461
                   +0 :              -0.00000780044739
                   +1 :              -0.00008962287991
                3p
                   -1 :               0.00000486197231
                   +0 :              -0.00002378341459
                   +1 :               0.00012883457307
                3d
                   -2 :               0.00000655542708
                   -1 :               0.00000275281003
                   +0 :              -0.00000394577730
                   +1 :               0.00000224890657
                   +2 :              -0.00000329812201
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 20)  npairs=  14
              1 vec=    -2.174815      1.738956      4.091257   |vec|=    4.948957
                1s
                   +0 :               0.00105113350917
                2s
                   +0 :              -0.03852320174558
                3s
                   +0 :               0.00173550486607
                2p
                   -1 :              -0.00854616816804
                   +0 :              -0.02793466156189
                   +1 :               0.00251452128140
                3p
                   -1 :              -0.00103692088394
                   +0 :               0.00579471045484
                   +1 :               0.00147854739002
                3d
                   -2 :               0.00080786653270
                   -1 :              -0.00059812096149
                   +0 :              -0.00075025201125
                   +1 :              -0.00009548145130
                   +2 :               0.00041697564642
              2 vec=     5.605348     -2.752923      4.091257   |vec|=    7.465715
                1s
                   +0 :               0.00012648523635
                2s
                   +0 :              -0.00043082419704
                3s
                   +0 :               0.00036260944430
                2p
                   -1 :              -0.00487651421953
                   +0 :              -0.00333214832882
                   +1 :               0.00190785466697
                3p
                   -1 :               0.00356609729115
                   +0 :               0.00418519586860
                   +1 :              -0.00019681516395
                3d
                   -2 :               0.00024511580485
                   -1 :               0.00006011116279
                   +0 :               0.00032140148224
                   +1 :              -0.00035581123494
                   +2 :              -0.00012270342499
              3 vec=    -2.174815     -7.244802      4.091257   |vec|=    8.599730
                1s
                   +0 :               0.00041559552649
                2s
                   +0 :              -0.00240955314681
                3s
                   +0 :               0.00128008011484
                2p
                   -1 :               0.00171785716840
                   +0 :              -0.00428095894350
                   +1 :              -0.00064338552267
                3p
                   -1 :              -0.00139337994525
                   +0 :               0.00168455470065
                   +1 :               0.00003820225530
                3d
                   -2 :               0.00003728703439
                   -1 :              -0.00023530560099
                   +0 :              -0.00022377751017
                   +1 :              -0.00019996462910
                   +2 :              -0.00018701871962
              4 vec=     5.605348      6.230835      4.091257   |vec|=    9.326393
                1s
                   +0 :              -0.00026783915538
                2s
                   +0 :               0.00167887533392
                3s
                   +0 :              -0.00038782615436
                2p
                   -1 :               0.00047082313174
                   +0 :               0.00121097492988
                   +1 :              -0.00092235613241
                3p
                   -1 :               0.00018836728029
                   +0 :              -0.00070520613467
                   +1 :               0.00140432014891
                3d
                   -2 :               0.00003158048509
                   -1 :              -0.00011518131370
                   +0 :               0.00001484064795
                   +1 :               0.00001791605761
                   +2 :               0.00002540931468
              5 vec=    -9.954977     -2.752923      4.091257   |vec|=   11.109390
                1s
                   +0 :              -0.00017010935020
                2s
                   +0 :               0.00035899978054
                3s
                   +0 :              -0.00049681645463
                2p
                   -1 :              -0.00033485915088
                   +0 :              -0.00085161793015
                   +1 :               0.00076973652436
                3p
                   -1 :               0.00056116712858
                   +0 :               0.00019525121232
                   +1 :              -0.00030341645694
                3d
                   -2 :              -0.00000963139874
                   -1 :               0.00000040149220
                   +0 :              -0.00010373837795
                   +1 :               0.00001407903129
                   +2 :               0.00005750306951
              6 vec=    -2.174815     10.722714      4.091257   |vec|=   11.680959
                1s
                   +0 :              -0.00005243031505
                2s
                   +0 :               0.00017687878560
                3s
                   +0 :              -0.00008463206145
                2p
                   -1 :               0.00033320719007
                   +0 :               0.00013586798432
                   +1 :               0.00023759975690
                3p
                   -1 :              -0.00034890471143
                   +0 :              -0.00012381075083
                   +1 :              -0.00033389092252
                3d
                   -2 :              -0.00003364026575
                   -1 :               0.00004061875040
                   +0 :               0.00002557654675
                   +1 :              -0.00002893677000
                   +2 :              -0.00002080917896
              7 vec=    -9.954977      6.230835      4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00000063912942
                2s
                   +0 :              -0.00047137804470
                3s
                   +0 :              -0.00009376918050
                2p
                   -1 :              -0.00027080739123
                   +0 :              -0.00068008384737
                   +1 :               0.00034496375883
                3p
                   -1 :               0.00020137186645
                   +0 :               0.00045628196709
                   +1 :              -0.00015007172063
                3d
                   -2 :              -0.00001190556637
                   -1 :               0.00003077782490
                   +0 :               0.00003085629743
                   +1 :              -0.00005073614184
                   +2 :              -0.00001605356747
              8 vec=     5.605348    -11.736681      4.091257   |vec|=   13.634808
                1s
                   +0 :               0.00003752306872
                2s
                   +0 :               0.00000918555509
                3s
                   +0 :               0.00013884019464
                2p
                   -1 :               0.00020039727774
                   +0 :               0.00051795286029
                   +1 :              -0.00017337327554
                3p
                   -1 :              -0.00023441423721
                   +0 :              -0.00019303896311
                   +1 :              -0.00002097789159
                3d
                   -2 :               0.00001967325868
                   -1 :              -0.00001567218189
                   +0 :               0.00001374516518
                   +1 :              -0.00002634721335
                   +2 :              -0.00000629925290
              9 vec=    13.385510      1.738956      4.091257   |vec|=   14.104405
                1s
                   +0 :              -0.00008979882160
                2s
                   +0 :               0.00082760368510
                3s
                   +0 :              -0.00020573830344
                2p
                   -1 :               0.00036632049600
                   +0 :               0.00023968630755
                   +1 :               0.00031775713622
                3p
                   -1 :              -0.00020646659977
                   +0 :              -0.00002063235018
                   +1 :              -0.00014393403689
                3d
                   -2 :              -0.00001766297806
                   -1 :              -0.00001379063869
                   +0 :               0.00001387429143
                   +1 :              -0.00000528438650
                   +2 :              -0.00002432788312
             10 vec=    13.385510     -7.244802      4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000567002250
                2s
                   +0 :               0.00007589453352
                3s
                   +0 :              -0.00000130079826
                2p
                   -1 :              -0.00012659071571
                   +0 :               0.00011312047998
                   +1 :              -0.00002564127273
                3p
                   -1 :               0.00008891906902
                   +0 :              -0.00003403307757
                   +1 :               0.00003571902088
                3d
                   -2 :              -0.00000955109132
                   -1 :               0.00000818007681
                   +0 :               0.00000149149933
                   +1 :               0.00000058435743
                   +2 :               0.00000932278462
             11 vec=    -9.954977    -11.736681      4.091257   |vec|=   15.924498
                1s
                   +0 :               0.00006417927695
                2s
                   +0 :              -0.00040209457718
                3s
                   +0 :               0.00017960979197
                2p
                   -1 :               0.00015193626841
                   +0 :              -0.00016711237996
                   +1 :               0.00013745486271
                3p
                   -1 :              -0.00003744724036
                   +0 :               0.00010199272495
                   +1 :              -0.00009751797529
                3d
                   -2 :              -0.00000056221635
                   -1 :              -0.00000585995332
                   +0 :               0.00001087031288
                   +1 :              -0.00001415440846
                   +2 :               0.00000255791734
             12 vec=     5.605348     15.214593      4.091257   |vec|=   16.722504
                1s
                   +0 :              -0.00001885750081
                2s
                   +0 :               0.00012477245111
                3s
                   +0 :              -0.00005991596431
                2p
                   -1 :               0.00018974342563
                   +0 :               0.00001823085392
                   +1 :               0.00001121606074
                3p
                   -1 :              -0.00013582881395
                   +0 :              -0.00002375310920
                   +1 :              -0.00003224217263
                3d
                   -2 :              -0.00000460047734
                   -1 :               0.00000044386221
                   +0 :               0.00000102386429
                   +1 :              -0.00000804235758
                   +2 :               0.00000317853838
             13 vec=    -2.174815    -16.228560      4.091257   |vec|=   16.877036
                1s
                   +0 :               0.00000852453405
                2s
                   +0 :              -0.00005119212693
                3s
                   +0 :               0.00002105808229
                2p
                   -1 :              -0.00004426847521
                   +0 :              -0.00000845838568
                   +1 :              -0.00002091604349
                3p
                   -1 :               0.00005701246059
                   +0 :               0.00000963422971
                   +1 :               0.00003179373412
                3d
                   -2 :               0.00000370229851
                   -1 :              -0.00000640341437
                   +0 :               0.00000367804271
                   +1 :              -0.00000157546569
                   +2 :              -0.00000401090407
             14 vec=    13.385510     10.722714      4.091257   |vec|=   17.631984
                1s
                   +0 :              -0.00001429459146
                2s
                   +0 :               0.00010554355595
                3s
                   +0 :              -0.00002713130452
                2p
                   -1 :               0.00000732574300
                   +0 :               0.00003173755023
                   +1 :               0.00009159751841
                3p
                   -1 :               0.00001026683174
                   +0 :              -0.00000250411841
                   +1 :              -0.00004199088103
                3d
                   -2 :              -0.00000745637960
                   -1 :              -0.00000390103484
                   +0 :               0.00000032549969
                   +1 :               0.00000316873430
                   +2 :              -0.00000051102272
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 21)  npairs=  14
              1 vec=     0.209286     -3.115418      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00241388522496
                2s
                   +0 :               0.01495738619726
                3s
                   +0 :              -0.00570888420309
                2p
                   -1 :              -0.00628426484801
                   +0 :               0.00100466345794
                   +1 :              -0.00290652590404
                3p
                   -1 :               0.00470999867881
                   +0 :               0.00189333097402
                   +1 :              -0.00425878634668
                3d
                   -2 :               0.00093508989416
                   -1 :               0.00009421353218
                   +0 :               0.00085631733274
                   +1 :              -0.00139460094984
                   +2 :               0.00004586275025
              2 vec=     0.209286      5.868340      4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00006629228159
                2s
                   +0 :               0.00161467495475
                3s
                   +0 :              -0.00029373982305
                2p
                   -1 :               0.00418182734134
                   +0 :               0.00073933229514
                   +1 :               0.00265129604410
                3p
                   -1 :              -0.00316387924924
                   +0 :              -0.00024359413419
                   +1 :              -0.00291736230182
                3d
                   -2 :              -0.00012036325735
                   -1 :               0.00001397342991
                   +0 :               0.00005487874453
                   +1 :              -0.00017054237754
                   +2 :               0.00034808440805
              3 vec=    -7.570876      1.376461      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00020781089154
                2s
                   +0 :              -0.00113633621434
                3s
                   +0 :               0.00034225219455
                2p
                   -1 :              -0.00137487024668
                   +0 :              -0.00375315904766
                   +1 :               0.00118837149203
                3p
                   -1 :               0.00012566352728
                   +0 :               0.00048664895569
                   +1 :              -0.00079034432056
                3d
                   -2 :              -0.00006416313203
                   -1 :              -0.00014650173251
                   +0 :              -0.00020886284123
                   +1 :              -0.00006234990604
                   +2 :               0.00009182776528
              4 vec=     7.989449      1.376461      4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00028659302350
                2s
                   +0 :               0.00150898273003
                3s
                   +0 :              -0.00036163563998
                2p
                   -1 :               0.00198510746730
                   +0 :               0.00235183371321
                   +1 :              -0.00047588323894
                3p
                   -1 :              -0.00136680226752
                   +0 :              -0.00006095136807
                   +1 :               0.00073716235153
                3d
                   -2 :               0.00006110255324
                   -1 :               0.00009861672681
                   +0 :               0.00004139522505
                   +1 :               0.00017503511856
                   +2 :               0.00011870805043
              5 vec=    -7.570876     -7.607297      4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00022467019520
                2s
                   +0 :               0.00102905362524
                3s
                   +0 :              -0.00071264216431
                2p
                   -1 :              -0.00090327957569
                   +0 :              -0.00061587309685
                   +1 :              -0.00065702580649
                3p
                   -1 :               0.00092295002575
                   +0 :               0.00026374508768
                   +1 :               0.00060514023112
                3d
                   -2 :              -0.00002546570257
                   -1 :              -0.00003941900897
                   +0 :              -0.00004601690834
                   +1 :              -0.00003269772912
                   +2 :               0.00003817072285
              6 vec=     7.989449     -7.607297      4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00000059426088
                2s
                   +0 :               0.00004952652875
                3s
                   +0 :               0.00014924335541
                2p
                   -1 :              -0.00021913251458
                   +0 :               0.00053945627338
                   +1 :               0.00028191337063
                3p
                   -1 :               0.00000030959997
                   +0 :              -0.00043181697134
                   +1 :              -0.00019035136895
                3d
                   -2 :              -0.00006039902883
                   -1 :               0.00001896125796
                   +0 :              -0.00007946953876
                   +1 :              -0.00000092757600
                   +2 :              -0.00001847726333
              7 vec=     0.209286    -12.099176      4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00006265962159
                2s
                   +0 :               0.00029012419265
                3s
                   +0 :              -0.00022573337394
                2p
                   -1 :              -0.00033097739335
                   +0 :              -0.00018196945231
                   +1 :               0.00027235752326
                3p
                   -1 :               0.00033253004245
                   +0 :               0.00009375889601
                   +1 :              -0.00017253044506
                3d
                   -2 :              -0.00000716931386
                   -1 :               0.00000636926898
                   +0 :               0.00001136350206
                   +1 :               0.00002408135286
                   +2 :               0.00000024467078
              8 vec=    -7.570876     10.360219      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00004202391095
                2s
                   +0 :              -0.00003067046142
                3s
                   +0 :              -0.00018654106908
                2p
                   -1 :               0.00041026783632
                   +0 :              -0.00019877954914
                   +1 :               0.00011758574134
                3p
                   -1 :              -0.00044302834271
                   +0 :              -0.00000151572773
                   +1 :               0.00000803926233
                3d
                   -2 :               0.00000638306885
                   -1 :               0.00002163696744
                   +0 :              -0.00002335845193
                   +1 :               0.00000369355917
                   +2 :               0.00002805442725
              9 vec=     7.989449     10.360219      4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00003906878883
                2s
                   +0 :               0.00058014484128
                3s
                   +0 :              -0.00008236592915
                2p
                   -1 :               0.00066534391500
                   +0 :               0.00008868356119
                   +1 :               0.00012347065317
                3p
                   -1 :              -0.00042458237998
                   +0 :              -0.00000747479474
                   +1 :              -0.00002131131056
                3d
                   -2 :               0.00000658534729
                   -1 :              -0.00001234949275
                   +0 :               0.00001527203114
                   +1 :              -0.00001617492507
                   +2 :               0.00003637604434
             10 vec=     0.209286     14.852098      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00002284581703
                2s
                   +0 :              -0.00015068577550
                3s
                   +0 :               0.00007669195254
                2p
                   -1 :              -0.00011515558684
                   +0 :              -0.00006779908688
                   +1 :              -0.00006122459767
                3p
                   -1 :               0.00008939360106
                   +0 :               0.00005615414999
                   +1 :               0.00000976596149
                3d
                   -2 :              -0.00000021496105
                   -1 :               0.00000959178347
                   +0 :              -0.00000010194382
                   +1 :              -0.00000677950580
                   +2 :              -0.00000344600237
             11 vec=   -15.351039     -3.115418      4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00001417490231
                2s
                   +0 :              -0.00013855727380
                3s
                   +0 :              -0.00000791944572
                2p
                   -1 :              -0.00000092964687
                   +0 :               0.00003381234451
                   +1 :               0.00008057860335
                3p
                   -1 :               0.00005992399067
                   +0 :              -0.00009866965498
                   +1 :               0.00007358109583
                3d
                   -2 :              -0.00000150345684
                   -1 :               0.00000430829343
                   +0 :               0.00001156190471
                   +1 :               0.00001186686059
                   +2 :              -0.00000981849577
             12 vec=    15.769612     -3.115418      4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00001369720722
                2s
                   +0 :               0.00015785352954
                3s
                   +0 :              -0.00004841904347
                2p
                   -1 :              -0.00001041460288
                   +0 :              -0.00006939496301
                   +1 :              -0.00000803539943
                3p
                   -1 :              -0.00000894287769
                   +0 :               0.00008086661674
                   +1 :               0.00009254790647
                3d
                   -2 :               0.00001050718553
                   -1 :               0.00000633053329
                   +0 :              -0.00000347451428
                   +1 :              -0.00000892503320
                   +2 :               0.00001804511180
             13 vec=   -15.351039      5.868340      4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00002597810154
                2s
                   +0 :              -0.00016134077890
                3s
                   +0 :               0.00005627986695
                2p
                   -1 :              -0.00001198618777
                   +0 :               0.00008584917182
                   +1 :               0.00009177174948
                3p
                   -1 :              -0.00001638927294
                   +0 :              -0.00006898342912
                   +1 :              -0.00002519174472
                3d
                   -2 :               0.00000058994484
                   -1 :               0.00000043722344
                   +0 :              -0.00000161634147
                   +1 :              -0.00000139012306
                   +2 :              -0.00000575027300
             14 vec=    15.769612      5.868340      4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00000953503860
                2s
                   +0 :               0.00009597872554
                3s
                   +0 :              -0.00002253636279
                2p
                   -1 :               0.00011556519746
                   +0 :               0.00004824614868
                   +1 :               0.00002640020200
                3p
                   -1 :              -0.00007189072907
                   +0 :              -0.00003883614223
                   +1 :               0.00002530273286
                3d
                   -2 :               0.00000446497711
                   -1 :              -0.00000554648715
                   +0 :              -0.00000267270497
                   +1 :               0.00000025452518
                   +2 :               0.00000188245873
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 22)  npairs=  15
              1 vec=    -2.174296      4.491580     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00046622526962
                2s
                   +0 :              -0.00378428949628
                3s
                   +0 :               0.00113003136945
                2p
                   -1 :              -0.00159087679682
                   +0 :               0.00237465825895
                   +1 :              -0.00084241081013
                3p
                   -1 :               0.00030685049088
                   +0 :              -0.00062439816722
                   +1 :               0.00006335074924
                3d
                   -2 :              -0.00001439362002
                   -1 :               0.00005188406333
                   +0 :               0.00006653253544
                   +1 :               0.00003878484083
                   +2 :               0.00001013418350
              2 vec=    -2.174296     -4.492178     -8.182514   |vec|=    9.584402
                1s
                   +0 :              -0.00014863217854
                2s
                   +0 :               0.00106696279576
                3s
                   +0 :              -0.00034976682768
                2p
                   -1 :              -0.00010040160760
                   +0 :              -0.00115888173703
                   +1 :              -0.00268048944168
                3p
                   -1 :              -0.00052247309094
                   +0 :              -0.00012079035742
                   +1 :               0.00139938018687
                3d
                   -2 :               0.00005676823933
                   -1 :               0.00007497818234
                   +0 :               0.00003281766051
                   +1 :              -0.00014039460024
                   +2 :               0.00001609114019
              3 vec=     5.605867     -0.000299     -8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00027245341759
                2s
                   +0 :               0.00218958309502
                3s
                   +0 :              -0.00036935998099
                2p
                   -1 :              -0.00127009985889
                   +0 :               0.00047701124882
                   +1 :               0.00169759931121
                3p
                   -1 :               0.00049056395730
                   +0 :              -0.00150030747970
                   +1 :              -0.00044404659978
                3d
                   -2 :              -0.00012949453052
                   -1 :               0.00009078293826
                   +0 :              -0.00001610315468
                   +1 :               0.00008501797400
                   +2 :              -0.00002006626987
              4 vec=    -9.954459     -0.000299     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00008863748540
                2s
                   +0 :              -0.00091341338509
                3s
                   +0 :               0.00023125856592
                2p
                   -1 :               0.00021448359527
                   +0 :               0.00028716733759
                   +1 :               0.00042019925067
                3p
                   -1 :              -0.00013522347930
                   +0 :              -0.00009265756750
                   +1 :              -0.00023629983585
                3d
                   -2 :               0.00000581655549
                   -1 :              -0.00000359561160
                   +0 :              -0.00000104657721
                   +1 :               0.00003873926787
                   +2 :               0.00002632726895
              5 vec=     5.605867      8.983459     -8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00002491505567
                2s
                   +0 :               0.00045629782497
                3s
                   +0 :               0.00000701091862
                2p
                   -1 :               0.00009675888432
                   +0 :              -0.00003356275501
                   +1 :               0.00012261844661
                3p
                   -1 :               0.00010535220048
                   +0 :              -0.00004953135593
                   +1 :               0.00000925317743
                3d
                   -2 :               0.00001943238976
                   -1 :              -0.00001679638408
                   +0 :              -0.00001411663920
                   +1 :              -0.00002336166829
                   +2 :               0.00001025570947
              6 vec=     5.605867     -8.984057     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00001063816406
                2s
                   +0 :              -0.00003595156309
                3s
                   +0 :               0.00008778571017
                2p
                   -1 :               0.00009593456417
                   +0 :               0.00021185811688
                   +1 :              -0.00007936944022
                3p
                   -1 :              -0.00010545507617
                   +0 :              -0.00033369481880
                   +1 :               0.00009829840623
                3d
                   -2 :               0.00000825653919
                   -1 :               0.00002318696004
                   +0 :              -0.00002846302888
                   +1 :               0.00000622098148
                   +2 :               0.00001400848970
              7 vec=    -9.954459      8.983459     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00003739119715
                2s
                   +0 :               0.00036104844803
                3s
                   +0 :              -0.00004111653195
                2p
                   -1 :               0.00004989824610
                   +0 :               0.00029996924576
                   +1 :              -0.00020200641016
                3p
                   -1 :               0.00009482016260
                   +0 :              -0.00013353662959
                   +1 :               0.00008789089680
                3d
                   -2 :              -0.00000688186677
                   -1 :               0.00001262887498
                   +0 :              -0.00000847583788
                   +1 :               0.00000497127890
                   +2 :              -0.00001792313844
              8 vec=    -9.954459     -8.984057     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00000914888557
                2s
                   +0 :               0.00001455721449
                3s
                   +0 :              -0.00013747257161
                2p
                   -1 :              -0.00010264612178
                   +0 :              -0.00022412839117
                   +1 :               0.00000265012153
                3p
                   -1 :               0.00019369684479
                   +0 :               0.00028432103760
                   +1 :               0.00010231611409
                3d
                   -2 :              -0.00003402972022
                   -1 :              -0.00001959556673
                   +0 :               0.00000389488077
                   +1 :              -0.00004264367452
                   +2 :               0.00000763728785
              9 vec=    -2.174296     13.475338     -8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00000271429575
                2s
                   +0 :               0.00000852575273
                3s
                   +0 :              -0.00001831107761
                2p
                   -1 :              -0.00000216724400
                   +0 :              -0.00000385693846
                   +1 :               0.00004093485899
                3p
                   -1 :              -0.00000760384763
                   +0 :               0.00001425183355
                   +1 :               0.00000465313923
                3d
                   -2 :               0.00001066237828
                   -1 :              -0.00000002617749
                   +0 :              -0.00000079284444
                   +1 :              -0.00000148162165
                   +2 :               0.00000330456885
             10 vec=    -2.174296    -13.475936     -8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00000089344996
                2s
                   +0 :              -0.00006543006167
                3s
                   +0 :              -0.00002560820316
                2p
                   -1 :              -0.00000015839916
                   +0 :               0.00014242325868
                   +1 :               0.00008359381025
                3p
                   -1 :               0.00004085106987
                   +0 :              -0.00007557545484
                   +1 :              -0.00006393460265
                3d
                   -2 :               0.00001114964162
                   -1 :              -0.00000500306111
                   +0 :               0.00001032796717
                   +1 :               0.00000508792535
                   +2 :               0.00000325398217
             11 vec=    13.386029      4.491580     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00000166459924
                2s
                   +0 :               0.00001667930238
                3s
                   +0 :              -0.00001169358615
                2p
                   -1 :              -0.00005503813809
                   +0 :               0.00007721281396
                   +1 :              -0.00003978573153
                3p
                   -1 :               0.00004144206207
                   +0 :              -0.00007636908039
                   +1 :              -0.00000897782057
                3d
                   -2 :              -0.00001300992236
                   -1 :              -0.00000033039516
                   +0 :               0.00001142001768
                   +1 :               0.00001757156108
                   +2 :              -0.00001526773622
             12 vec=    13.386029     -4.492178     -8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00001282535529
                2s
                   +0 :               0.00014492883745
                3s
                   +0 :               0.00002073125783
                2p
                   -1 :               0.00004446217181
                   +0 :               0.00000851386996
                   +1 :               0.00003263918075
                3p
                   -1 :              -0.00009231396993
                   +0 :              -0.00006016159340
                   +1 :               0.00005131414325
                3d
                   -2 :              -0.00000533697082
                   -1 :              -0.00000577963745
                   +0 :               0.00000126437191
                   +1 :              -0.00000764759719
                   +2 :               0.00001276535872
             13 vec=    -2.174296      4.491580     16.365028   |vec|=   17.108945
                1s
                   +0 :               0.00000773129303
                2s
                   +0 :              -0.00003158865928
                3s
                   +0 :               0.00003065285185
                2p
                   -1 :               0.00001852564859
                   +0 :              -0.00002085810712
                   +1 :              -0.00006762321978
                3p
                   -1 :              -0.00001596966876
                   +0 :               0.00004197832327
                   +1 :               0.00002471954689
                3d
                   -2 :               0.00000192751475
                   -1 :               0.00000054783323
                   +0 :               0.00001110495739
                   +1 :              -0.00000477717327
                   +2 :              -0.00000330030646
             14 vec=    -2.174296     -4.492178     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000418007333
                2s
                   +0 :               0.00001097858132
                3s
                   +0 :              -0.00001748223256
                2p
                   -1 :               0.00001148944420
                   +0 :               0.00004198374064
                   +1 :              -0.00011479260523
                3p
                   -1 :               0.00000401268242
                   +0 :              -0.00004010143459
                   +1 :               0.00006371619786
                3d
                   -2 :               0.00000256204478
                   -1 :              -0.00000383789209
                   +0 :               0.00000391092227
                   +1 :               0.00000416770600
                   +2 :              -0.00000385927517
             15 vec=     5.605867     -0.000299     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000723291375
                2s
                   +0 :               0.00002796688963
                3s
                   +0 :              -0.00001099951449
                2p
                   -1 :              -0.00002857369940
                   +0 :               0.00003487023291
                   +1 :              -0.00004594969099
                3p
                   -1 :               0.00003116362548
                   +0 :              -0.00000030237719
                   +1 :               0.00002250976947
                3d
                   -2 :               0.00000652434288
                   -1 :               0.00000306624650
                   +0 :               0.00000220734773
                   +1 :               0.00000238968053
                   +2 :              -0.00000101881827
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 23)  npairs=  15
              1 vec=     2.592869      4.491580     -8.182514   |vec|=    9.687662
                1s
                   +0 :              -0.00033727318050
                2s
                   +0 :               0.00240442852149
                3s
                   +0 :              -0.00054350532328
                2p
                   -1 :               0.00230588923135
                   +0 :              -0.00257462759028
                   +1 :               0.00042356077150
                3p
                   -1 :              -0.00021639690816
                   +0 :               0.00008123854458
                   +1 :              -0.00089375078753
                3d
                   -2 :              -0.00008627449153
                   -1 :              -0.00014378429015
                   +0 :               0.00007024786096
                   +1 :               0.00015542813610
                   +2 :              -0.00008239233812
              2 vec=     2.592869     -4.492178     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00015202291168
                2s
                   +0 :              -0.00178028010663
                3s
                   +0 :               0.00029670198750
                2p
                   -1 :              -0.00050926957602
                   +0 :               0.00002276211230
                   +1 :               0.00065508277836
                3p
                   -1 :               0.00061535972941
                   +0 :               0.00044670946107
                   +1 :              -0.00056926592874
                3d
                   -2 :               0.00004319470519
                   -1 :              -0.00015938058079
                   +0 :              -0.00002114098582
                   +1 :              -0.00003758237322
                   +2 :              -0.00002726617420
              3 vec=    -5.187294     -0.000299     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00028222482706
                2s
                   +0 :              -0.00248466540751
                3s
                   +0 :               0.00048630071901
                2p
                   -1 :               0.00136217439509
                   +0 :               0.00137512969711
                   +1 :              -0.00007003849533
                3p
                   -1 :              -0.00032024029590
                   +0 :              -0.00050663717030
                   +1 :               0.00037047966918
                3d
                   -2 :              -0.00007227691074
                   -1 :              -0.00014590526974
                   +0 :               0.00005096518479
                   +1 :              -0.00010724818013
                   +2 :               0.00010246692186
              4 vec=    10.373032     -0.000299     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00005980867132
                2s
                   +0 :               0.00089799040008
                3s
                   +0 :              -0.00014878029663
                2p
                   -1 :              -0.00046235481701
                   +0 :              -0.00043457043046
                   +1 :               0.00063068475308
                3p
                   -1 :               0.00026686742446
                   +0 :               0.00033270074583
                   +1 :              -0.00035302377159
                3d
                   -2 :               0.00001765728256
                   -1 :              -0.00000109244510
                   +0 :              -0.00006453526033
                   +1 :               0.00001379031992
                   +2 :              -0.00000373889367
              5 vec=    -5.187294      8.983459     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000468757308
                2s
                   +0 :              -0.00009973810203
                3s
                   +0 :              -0.00002766168349
                2p
                   -1 :              -0.00010339122306
                   +0 :               0.00002958678682
                   +1 :               0.00007091095817
                3p
                   -1 :              -0.00000654196723
                   +0 :               0.00003684167273
                   +1 :               0.00002954816533
                3d
                   -2 :               0.00000161359234
                   -1 :               0.00001608992964
                   +0 :              -0.00001002138114
                   +1 :               0.00000625715029
                   +2 :               0.00001444859164
              6 vec=    -5.187294     -8.984057     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00011589417161
                2s
                   +0 :              -0.00085388493224
                3s
                   +0 :               0.00049257167710
                2p
                   -1 :               0.00075126581778
                   +0 :               0.00034208802035
                   +1 :              -0.00036345051070
                3p
                   -1 :              -0.00082392038500
                   +0 :              -0.00017542886797
                   +1 :               0.00028646249015
                3d
                   -2 :              -0.00001582918951
                   -1 :               0.00010615367449
                   +0 :              -0.00005624058181
                   +1 :               0.00000960411355
                   +2 :              -0.00013504731454
              7 vec=    10.373032      8.983459     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00001550243411
                2s
                   +0 :               0.00015962850356
                3s
                   +0 :              -0.00000942289122
                2p
                   -1 :               0.00014661279619
                   +0 :              -0.00003534277656
                   +1 :               0.00008052341149
                3p
                   -1 :              -0.00006127357119
                   +0 :               0.00002316227622
                   +1 :               0.00001185502971
                3d
                   -2 :               0.00000354855010
                   -1 :               0.00000504166321
                   +0 :              -0.00001042615252
                   +1 :               0.00000559364400
                   +2 :               0.00000536979588
              8 vec=     2.592869     13.475338     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00000271908540
                2s
                   +0 :               0.00001543388515
                3s
                   +0 :              -0.00001994821687
                2p
                   -1 :               0.00006636094372
                   +0 :               0.00000940951358
                   +1 :              -0.00006076492165
                3p
                   -1 :              -0.00006078979527
                   +0 :              -0.00001911892322
                   +1 :               0.00001311990956
                3d
                   -2 :              -0.00000450233299
                   -1 :              -0.00000089588831
                   +0 :               0.00000303539269
                   +1 :              -0.00000474877296
                   +2 :               0.00000449954871
              9 vec=    10.373032     -8.984057     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00002766173290
                2s
                   +0 :               0.00016710834012
                3s
                   +0 :              -0.00005824338151
                2p
                   -1 :              -0.00007755417893
                   +0 :              -0.00013948490102
                   +1 :              -0.00019953983094
                3p
                   -1 :               0.00002690129421
                   +0 :               0.00009046104350
                   +1 :               0.00019930623909
                3d
                   -2 :              -0.00001739172537
                   -1 :              -0.00000665933966
                   +0 :               0.00001394387769
                   +1 :               0.00000680810006
                   +2 :               0.00002461457293
             10 vec=     2.592869    -13.475936     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00002235565676
                2s
                   +0 :               0.00010251030349
                3s
                   +0 :              -0.00012285958333
                2p
                   -1 :              -0.00001141282582
                   +0 :               0.00007033734233
                   +1 :               0.00010425285193
                3p
                   -1 :               0.00007438566573
                   +0 :              -0.00004377891312
                   +1 :              -0.00008526368556
                3d
                   -2 :              -0.00000586106556
                   -1 :              -0.00002306369302
                   +0 :               0.00001425965186
                   +1 :              -0.00001094416431
                   +2 :               0.00003418010906
             11 vec=   -12.967456      4.491580     -8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00003817202354
                2s
                   +0 :               0.00025024769667
                3s
                   +0 :              -0.00008716589620
                2p
                   -1 :              -0.00002395888991
                   +0 :               0.00019093275360
                   +1 :              -0.00006015826537
                3p
                   -1 :              -0.00008002625988
                   +0 :              -0.00002728822373
                   +1 :              -0.00001850742830
                3d
                   -2 :               0.00000670810996
                   -1 :               0.00000209098597
                   +0 :              -0.00001646397037
                   +1 :              -0.00000001141191
                   +2 :               0.00001786859855
             12 vec=   -12.967456     -4.492178     -8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00000467409810
                2s
                   +0 :              -0.00005917617776
                3s
                   +0 :              -0.00002134110284
                2p
                   -1 :              -0.00000068379556
                   +0 :               0.00007414776860
                   +1 :              -0.00009884340062
                3p
                   -1 :               0.00001125318623
                   +0 :              -0.00002100521019
                   +1 :               0.00014017279632
                3d
                   -2 :               0.00000281486664
                   -1 :               0.00000947806582
                   +0 :               0.00002163757777
                   +1 :              -0.00001116122051
                   +2 :              -0.00001430454975
             13 vec=     2.592869      4.491580     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00001162385497
                2s
                   +0 :               0.00003929402480
                3s
                   +0 :              -0.00004393122670
                2p
                   -1 :               0.00011697382085
                   +0 :               0.00004282598834
                   +1 :              -0.00004072712891
                3p
                   -1 :              -0.00008330898841
                   +0 :              -0.00005518210745
                   +1 :               0.00000152726977
                3d
                   -2 :              -0.00000188392524
                   -1 :              -0.00000100274470
                   +0 :               0.00000054437800
                   +1 :              -0.00000286336961
                   +2 :              -0.00000082794767
             14 vec=     2.592869     -4.492178     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00002215183245
                2s
                   +0 :               0.00015195334801
                3s
                   +0 :              -0.00005522488546
                2p
                   -1 :               0.00000804643483
                   +0 :               0.00008813390007
                   +1 :              -0.00005010019513
                3p
                   -1 :              -0.00003254855738
                   +0 :              -0.00003407943285
                   +1 :               0.00002133054554
                3d
                   -2 :              -0.00000096470234
                   -1 :              -0.00000560584960
                   +0 :               0.00000096125718
                   +1 :              -0.00000034483741
                   +2 :              -0.00000830390863
             15 vec=    -5.187294     -0.000299     16.365028   |vec|=   17.167474
                1s
                   +0 :              -0.00001868486716
                2s
                   +0 :               0.00012753502491
                3s
                   +0 :              -0.00006282296893
                2p
                   -1 :               0.00003492452461
                   +0 :               0.00005371038374
                   +1 :               0.00001206984094
                3p
                   -1 :              -0.00003125539696
                   +0 :              -0.00004045639533
                   +1 :              -0.00001489954262
                3d
                   -2 :              -0.00000165041809
                   -1 :              -0.00000308916932
                   +0 :              -0.00000068462860
                   +1 :               0.00000004984926
                   +2 :              -0.00000231895033
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 24)  npairs=  14
              1 vec=     0.209286      0.363094     -8.182514   |vec|=    8.193240
                1s
                   +0 :              -0.00019532998402
                2s
                   +0 :               0.00122147311469
                3s
                   +0 :              -0.00030792466345
                2p
                   -1 :               0.00087922978819
                   +0 :              -0.00118158964689
                   +1 :              -0.00256560941903
                3p
                   -1 :              -0.00055137781506
                   +0 :               0.00043772571610
                   +1 :               0.00118103425124
                3d
                   -2 :               0.00016155694829
                   -1 :              -0.00002024893849
                   +0 :               0.00014262419694
                   +1 :              -0.00014239585186
                   +2 :               0.00006378947805
              2 vec=     0.209286     -8.620664     -8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00000628228330
                2s
                   +0 :              -0.00000059503448
                3s
                   +0 :              -0.00008148650273
                2p
                   -1 :               0.00000667244100
                   +0 :              -0.00007003539611
                   +1 :              -0.00007970482270
                3p
                   -1 :               0.00013726717065
                   +0 :               0.00007227996358
                   +1 :              -0.00018873407779
                3d
                   -2 :               0.00002275449916
                   -1 :               0.00000204479197
                   +0 :               0.00002395657540
                   +1 :               0.00005809224116
                   +2 :               0.00000882167615
              3 vec=    -7.570876     -4.128785     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00011809272241
                2s
                   +0 :               0.00061057135727
                3s
                   +0 :              -0.00044243441999
                2p
                   -1 :               0.00001782501522
                   +0 :              -0.00060618040796
                   +1 :               0.00067083514984
                3p
                   -1 :               0.00002703158831
                   +0 :               0.00034785463074
                   +1 :              -0.00055840304660
                3d
                   -2 :               0.00004414838420
                   -1 :               0.00000345899422
                   +0 :              -0.00003707695064
                   +1 :               0.00005144519997
                   +2 :              -0.00001587098452
              4 vec=     7.989449     -4.128785     -8.182514   |vec|=   12.158606
                1s
                   +0 :               0.00030168948871
                2s
                   +0 :              -0.00156985129099
                3s
                   +0 :               0.00109183272946
                2p
                   -1 :               0.00107701154219
                   +0 :               0.00108073907523
                   +1 :               0.00006921758201
                3p
                   -1 :              -0.00116076760146
                   +0 :              -0.00103670481639
                   +1 :               0.00010319283140
                3d
                   -2 :              -0.00009400298495
                   -1 :               0.00018728115539
                   +0 :               0.00006959355307
                   +1 :              -0.00010703471092
                   +2 :              -0.00003083719233
              5 vec=    -7.570876      4.854973     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00000408461878
                2s
                   +0 :               0.00025920416550
                3s
                   +0 :               0.00006291851999
                2p
                   -1 :              -0.00038935105576
                   +0 :              -0.00009056612456
                   +1 :              -0.00015801985382
                3p
                   -1 :               0.00038996860416
                   +0 :               0.00040337787773
                   +1 :               0.00015811055005
                3d
                   -2 :              -0.00015137394601
                   -1 :              -0.00006312202788
                   +0 :              -0.00011286310222
                   +1 :               0.00003903172488
                   +2 :              -0.00002397122916
              6 vec=     7.989449      4.854973     -8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00003881140612
                2s
                   +0 :               0.00068679232239
                3s
                   +0 :              -0.00003643828950
                2p
                   -1 :               0.00044423334870
                   +0 :              -0.00040622265100
                   +1 :               0.00011336673081
                3p
                   -1 :              -0.00017090597949
                   +0 :               0.00004992223643
                   +1 :               0.00004285770696
                3d
                   -2 :              -0.00000716953322
                   -1 :               0.00001555575553
                   +0 :               0.00004197620113
                   +1 :              -0.00001409771153
                   +2 :               0.00000955480348
              7 vec=     0.209286      9.346852     -8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00001747413795
                2s
                   +0 :               0.00003649022394
                3s
                   +0 :              -0.00010529618303
                2p
                   -1 :              -0.00021734669776
                   +0 :               0.00004346219937
                   +1 :              -0.00015983928274
                3p
                   -1 :               0.00010161551452
                   +0 :              -0.00001144602467
                   +1 :               0.00007784876566
                3d
                   -2 :               0.00002967415034
                   -1 :              -0.00000118906581
                   +0 :               0.00001616352362
                   +1 :              -0.00001424551890
                   +2 :               0.00000129409559
              8 vec=     0.209286      0.363094     16.365028   |vec|=   16.370394
                1s
                   +0 :              -0.00001112250418
                2s
                   +0 :               0.00006012562349
                3s
                   +0 :              -0.00002936117645
                2p
                   -1 :              -0.00005238273634
                   +0 :              -0.00003706203930
                   +1 :              -0.00003812418357
                3p
                   -1 :               0.00006007729119
                   +0 :               0.00001891288300
                   +1 :              -0.00000176809790
                3d
                   -2 :              -0.00000606779534
                   -1 :               0.00000333338754
                   +0 :              -0.00000019891257
                   +1 :               0.00000105193901
                   +2 :               0.00000526798080
              9 vec=    -7.570876    -13.112543     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000459715591
                2s
                   +0 :               0.00000625434872
                3s
                   +0 :              -0.00000620237545
                2p
                   -1 :               0.00006377904301
                   +0 :               0.00013885107225
                   +1 :               0.00013024201442
                3p
                   -1 :              -0.00011095066276
                   +0 :              -0.00009527818512
                   +1 :              -0.00014020868144
                3d
                   -2 :               0.00001187784780
                   -1 :              -0.00000211081967
                   +0 :              -0.00001146725142
                   +1 :              -0.00000079701773
                   +2 :              -0.00000565472843
             10 vec=     7.989449    -13.112543     -8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000460621367
                2s
                   +0 :               0.00001393105606
                3s
                   +0 :              -0.00001264931689
                2p
                   -1 :              -0.00008269578070
                   +0 :              -0.00002790667824
                   +1 :              -0.00009570114674
                3p
                   -1 :               0.00008206010002
                   +0 :               0.00000207044956
                   +1 :               0.00007446018286
                3d
                   -2 :              -0.00000536559860
                   -1 :               0.00000055499523
                   +0 :              -0.00000538248776
                   +1 :              -0.00000874014353
                   +2 :               0.00000651749010
             11 vec=   -15.351039      0.363094     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00000603071064
                2s
                   +0 :              -0.00005102028912
                3s
                   +0 :               0.00001978232684
                2p
                   -1 :              -0.00010446653804
                   +0 :               0.00007157296377
                   +1 :               0.00006052478223
                3p
                   -1 :               0.00007065785465
                   +0 :               0.00001614891267
                   +1 :              -0.00003614491902
                3d
                   -2 :              -0.00001269311627
                   -1 :              -0.00000980490102
                   +0 :              -0.00001038580267
                   +1 :               0.00000380563518
                   +2 :               0.00000502693984
             12 vec=    15.769612      0.363094     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000179711950
                2s
                   +0 :               0.00003967910242
                3s
                   +0 :               0.00003492813515
                2p
                   -1 :               0.00003231619837
                   +0 :               0.00002364546311
                   +1 :               0.00004039042330
                3p
                   -1 :              -0.00002069592641
                   +0 :              -0.00006535095639
                   +1 :               0.00005639186529
                3d
                   -2 :              -0.00000309124996
                   -1 :               0.00000729178011
                   +0 :               0.00000718313816
                   +1 :              -0.00001062361817
                   +2 :               0.00001043195663
             13 vec=    -7.570876     13.838731     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00000220239494
                2s
                   +0 :              -0.00001264731469
                3s
                   +0 :              -0.00000153632017
                2p
                   -1 :               0.00002708955717
                   +0 :               0.00004255698188
                   +1 :               0.00013250178243
                3p
                   -1 :              -0.00003840703345
                   +0 :               0.00000457154044
                   +1 :              -0.00004000005564
                3d
                   -2 :               0.00000386825077
                   -1 :               0.00000024919441
                   +0 :               0.00000022019548
                   +1 :              -0.00000034397508
                   +2 :              -0.00000102987709
             14 vec=     7.989449     13.838731     -8.182514   |vec|=   17.952585
                1s
                   +0 :              -0.00001154516752
                2s
                   +0 :               0.00011264717546
                3s
                   +0 :              -0.00002463312163
                2p
                   -1 :               0.00010474959258
                   +0 :              -0.00001966521848
                   +1 :              -0.00003626850261
                3p
                   -1 :              -0.00002716411510
                   +0 :               0.00000425795961
                   +1 :               0.00001891266942
                3d
                   -2 :              -0.00000003215569
                   -1 :               0.00000100663934
                   +0 :              -0.00000072747927
                   +1 :              -0.00000136809937
                   +2 :               0.00000098171234
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 25)  npairs=  14
              1 vec=    -0.000519     -2.752623    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005906770132
                2s
                   +0 :               0.00042377393457
                3s
                   +0 :              -0.00019752091359
                2p
                   -1 :              -0.00006684457782
                   +0 :              -0.00021285639709
                   +1 :               0.00013030552741
                3p
                   -1 :              -0.00003501891847
                   +0 :               0.00011484664182
                   +1 :              -0.00013065182598
                3d
                   -2 :              -0.00000222241253
                   -1 :               0.00001334027436
                   +0 :              -0.00001811942967
                   +1 :               0.00000715737832
                   +2 :               0.00001629488450
              2 vec=    -0.000519     -2.752623     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00006786838277
                2s
                   +0 :              -0.00044594885394
                3s
                   +0 :               0.00031801202605
                2p
                   -1 :               0.00012248189919
                   +0 :              -0.00040940254058
                   +1 :               0.00002758601053
                3p
                   -1 :              -0.00009085303126
                   +0 :               0.00046854809709
                   +1 :               0.00004247855180
                3d
                   -2 :               0.00000916223143
                   -1 :              -0.00001179787223
                   +0 :               0.00005112227286
                   +1 :              -0.00000425135971
                   +2 :              -0.00000901795007
              3 vec=    -0.000519      6.231135    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004726799310
                2s
                   +0 :               0.00014607734557
                3s
                   +0 :              -0.00017522654781
                2p
                   -1 :               0.00021956729897
                   +0 :               0.00012685011804
                   +1 :              -0.00048455340866
                3p
                   -1 :              -0.00020385407315
                   +0 :              -0.00001591550026
                   +1 :               0.00009265153920
                3d
                   -2 :               0.00000123185938
                   -1 :               0.00001776890074
                   +0 :              -0.00000090642015
                   +1 :               0.00002370505046
                   +2 :               0.00001521538291
              4 vec=    -0.000519      6.231135     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000426915456
                2s
                   +0 :              -0.00003763512055
                3s
                   +0 :               0.00000513420164
                2p
                   -1 :              -0.00026159454825
                   +0 :              -0.00018340563357
                   +1 :              -0.00077756248082
                3p
                   -1 :               0.00016439406599
                   +0 :               0.00004584585364
                   +1 :               0.00021956260500
                3d
                   -2 :              -0.00001249745099
                   -1 :              -0.00000871664117
                   +0 :               0.00001150629261
                   +1 :              -0.00002324089681
                   +2 :               0.00000371558826
              5 vec=     7.779644      1.739256    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002559232376
                2s
                   +0 :               0.00036364267259
                3s
                   +0 :              -0.00004836475093
                2p
                   -1 :               0.00031978917264
                   +0 :              -0.00047388411568
                   +1 :               0.00043881672712
                3p
                   -1 :              -0.00021052677723
                   +0 :               0.00026686779457
                   +1 :              -0.00039430336113
                3d
                   -2 :              -0.00002146011871
                   -1 :               0.00001012412092
                   +0 :              -0.00001034681813
                   +1 :               0.00000809944694
                   +2 :              -0.00002825906891
              6 vec=     7.779644      1.739256     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002329146383
                2s
                   +0 :               0.00020104031671
                3s
                   +0 :              -0.00003120364341
                2p
                   -1 :              -0.00011179595485
                   +0 :               0.00012205405109
                   +1 :               0.00002819823690
                3p
                   -1 :               0.00015870142761
                   +0 :              -0.00001103749933
                   +1 :              -0.00000374699099
                3d
                   -2 :               0.00000912950414
                   -1 :               0.00002198216172
                   +0 :              -0.00002261180836
                   +1 :               0.00000185074857
                   +2 :              -0.00000320757411
              7 vec=    -7.780681      1.739256    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004013418030
                2s
                   +0 :              -0.00036722973332
                3s
                   +0 :               0.00012449186854
                2p
                   -1 :               0.00002536381923
                   +0 :               0.00022146010308
                   +1 :              -0.00006092019581
                3p
                   -1 :              -0.00011131998914
                   +0 :              -0.00007378770243
                   +1 :               0.00008660474469
                3d
                   -2 :               0.00000197557729
                   -1 :               0.00000897302400
                   +0 :               0.00000753420486
                   +1 :              -0.00000579076823
                   +2 :              -0.00000033939473
              8 vec=    -7.780681      1.739256     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00003618157936
                2s
                   +0 :              -0.00032983403327
                3s
                   +0 :               0.00004027369168
                2p
                   -1 :               0.00002503846610
                   +0 :              -0.00016938942334
                   +1 :               0.00006521672667
                3p
                   -1 :              -0.00006429603888
                   +0 :              -0.00000335881490
                   +1 :               0.00000743629924
                3d
                   -2 :               0.00000603947876
                   -1 :              -0.00000905327824
                   +0 :              -0.00001109748359
                   +1 :               0.00001655767025
                   +2 :               0.00000539322515
              9 vec=     7.779644     -7.244502    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00004052852152
                2s
                   +0 :               0.00024753328653
                3s
                   +0 :              -0.00011078973308
                2p
                   -1 :              -0.00012783693648
                   +0 :              -0.00022476012808
                   +1 :               0.00037013707136
                3p
                   -1 :               0.00004691225018
                   +0 :               0.00011001111312
                   +1 :              -0.00033475568096
                3d
                   -2 :               0.00000825880024
                   -1 :              -0.00000932765588
                   +0 :              -0.00000773643049
                   +1 :               0.00002372181757
                   +2 :              -0.00000623904389
             10 vec=     7.779644     -7.244502     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000763312244
                2s
                   +0 :              -0.00002493059432
                3s
                   +0 :               0.00003026104757
                2p
                   -1 :               0.00013420851447
                   +0 :              -0.00015692607416
                   +1 :               0.00018572339332
                3p
                   -1 :              -0.00014820990984
                   +0 :               0.00015905498852
                   +1 :              -0.00015898656913
                3d
                   -2 :              -0.00000846886201
                   -1 :              -0.00001872670057
                   +0 :               0.00001282803893
                   +1 :              -0.00001563666692
                   +2 :              -0.00001449904477
             11 vec=    -7.780681     -7.244502    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002896400355
                2s
                   +0 :              -0.00018943320129
                3s
                   +0 :               0.00003953382596
                2p
                   -1 :              -0.00031328755756
                   +0 :               0.00012915292122
                   +1 :              -0.00005076949889
                3p
                   -1 :               0.00028218137873
                   +0 :              -0.00007496567033
                   +1 :               0.00007583483784
                3d
                   -2 :              -0.00001129955684
                   -1 :              -0.00002083712290
                   +0 :              -0.00000415725478
                   +1 :               0.00000314651217
                   +2 :               0.00000769638034
             12 vec=    -7.780681     -7.244502     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002170295502
                2s
                   +0 :               0.00014693412071
                3s
                   +0 :              -0.00009116665169
                2p
                   -1 :               0.00003095783682
                   +0 :               0.00015355002097
                   +1 :              -0.00002666642364
                3p
                   -1 :              -0.00004436025327
                   +0 :              -0.00015914982967
                   +1 :               0.00005255859937
                3d
                   -2 :               0.00000333850913
                   -1 :               0.00000212299384
                   +0 :              -0.00001864047936
                   +1 :               0.00000054058178
                   +2 :              -0.00001397308233
             13 vec=    -0.000519    -11.736381    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001651919016
                2s
                   +0 :              -0.00014651989368
                3s
                   +0 :               0.00004373791317
                2p
                   -1 :               0.00012923469111
                   +0 :              -0.00000788891195
                   +1 :              -0.00003163761682
                3p
                   -1 :              -0.00011027275099
                   +0 :               0.00002589705893
                   +1 :               0.00004396834580
                3d
                   -2 :              -0.00000281873010
                   -1 :               0.00000745737030
                   +0 :               0.00000069688855
                   +1 :              -0.00000282553267
                   +2 :               0.00000152710337
             14 vec=    -0.000519    -11.736381     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002417075547
                2s
                   +0 :               0.00016704823262
                3s
                   +0 :              -0.00008546841477
                2p
                   -1 :              -0.00006790117578
                   +0 :               0.00015291815854
                   +1 :               0.00001287511110
                3p
                   -1 :               0.00004823151934
                   +0 :              -0.00010787800834
                   +1 :               0.00000112318302
                3d
                   -2 :              -0.00000297328821
                   -1 :               0.00000093261599
                   +0 :              -0.00000788623419
                   +1 :              -0.00000624166341
                   +2 :              -0.00000495826870
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 26)  npairs=  18
              1 vec=     3.012479      1.739256    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00009188872196
                2s
                   +0 :               0.00070385720042
                3s
                   +0 :              -0.00026211855141
                2p
                   -1 :              -0.00040082022478
                   +0 :              -0.00014475961575
                   +1 :              -0.00017701086582
                3p
                   -1 :               0.00036859491301
                   +0 :               0.00003139644218
                   +1 :               0.00014511886139
                3d
                   -2 :               0.00001206951670
                   -1 :              -0.00000370478258
                   +0 :              -0.00003784005450
                   +1 :              -0.00001268348927
                   +2 :              -0.00000948261523
              2 vec=     3.012479      1.739256     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00005446413672
                2s
                   +0 :              -0.00032463332561
                3s
                   +0 :               0.00024727619841
                2p
                   -1 :              -0.00008912500142
                   +0 :              -0.00045241438237
                   +1 :              -0.00015995477823
                3p
                   -1 :               0.00001492789670
                   +0 :               0.00042929948910
                   +1 :               0.00010128653013
                3d
                   -2 :               0.00000159404066
                   -1 :               0.00001310226593
                   +0 :               0.00000749686844
                   +1 :              -0.00000141280456
                   +2 :              -0.00000195663717
              3 vec=    -4.767684     -2.752623    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00005609032343
                2s
                   +0 :              -0.00056366691318
                3s
                   +0 :               0.00008798036553
                2p
                   -1 :               0.00032300041055
                   +0 :               0.00027363293607
                   +1 :              -0.00010405348313
                3p
                   -1 :              -0.00006920300295
                   +0 :              -0.00003023148960
                   +1 :              -0.00001109362217
                3d
                   -2 :              -0.00000720739701
                   -1 :              -0.00001762191975
                   +0 :              -0.00001179140371
                   +1 :               0.00001258135343
                   +2 :               0.00002077553668
              4 vec=    -4.767684     -2.752623     12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00008913845847
                2s
                   +0 :              -0.00056852253125
                3s
                   +0 :               0.00022279928312
                2p
                   -1 :              -0.00008244701196
                   +0 :              -0.00046750822409
                   +1 :               0.00006124989944
                3p
                   -1 :               0.00027693187532
                   +0 :               0.00026168791578
                   +1 :              -0.00008996657340
                3d
                   -2 :               0.00001588382763
                   -1 :               0.00005349771979
                   +0 :               0.00001775879346
                   +1 :              -0.00002099585561
                   +2 :               0.00001704076622
              5 vec=    -4.767684      6.231135    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00002794128465
                2s
                   +0 :              -0.00027060319923
                3s
                   +0 :               0.00007479083026
                2p
                   -1 :              -0.00020907387501
                   +0 :               0.00023850976592
                   +1 :               0.00001697956022
                3p
                   -1 :               0.00009461311270
                   +0 :              -0.00003397741688
                   +1 :               0.00008006098482
                3d
                   -2 :              -0.00000378778494
                   -1 :              -0.00000001928880
                   +0 :              -0.00000842530273
                   +1 :              -0.00000913208640
                   +2 :              -0.00000314196538
              6 vec=    -4.767684      6.231135     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005446330799
                2s
                   +0 :              -0.00077125429591
                3s
                   +0 :               0.00007987629709
                2p
                   -1 :              -0.00015027018336
                   +0 :              -0.00066385076706
                   +1 :               0.00019659952452
                3p
                   -1 :               0.00000591032329
                   +0 :               0.00008075548334
                   +1 :              -0.00002221643831
                3d
                   -2 :               0.00001721515349
                   -1 :              -0.00001074588270
                   +0 :              -0.00001744974923
                   +1 :               0.00001075171794
                   +2 :              -0.00000296775380
              7 vec=     3.012479     -7.244502    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00006967889399
                2s
                   +0 :              -0.00057681463843
                3s
                   +0 :               0.00014254482141
                2p
                   -1 :               0.00020455797290
                   +0 :               0.00042094918285
                   +1 :              -0.00027299714507
                3p
                   -1 :              -0.00011044084256
                   +0 :              -0.00015644049718
                   +1 :               0.00016666705729
                3d
                   -2 :               0.00000810657584
                   -1 :              -0.00000069154573
                   +0 :               0.00000820785257
                   +1 :              -0.00000568078490
                   +2 :              -0.00001488518015
              8 vec=     3.012479     -7.244502     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001006001053
                2s
                   +0 :               0.00001887089172
                3s
                   +0 :              -0.00005128188498
                2p
                   -1 :              -0.00011829728826
                   +0 :              -0.00003450535291
                   +1 :              -0.00038186112300
                3p
                   -1 :               0.00009414697960
                   +0 :              -0.00006936830955
                   +1 :               0.00028252415879
                3d
                   -2 :              -0.00000808403427
                   -1 :               0.00000722148069
                   +0 :              -0.00002373696890
                   +1 :               0.00001409766696
                   +2 :              -0.00000178573315
              9 vec=     3.012479     10.723014    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000806553611
                2s
                   +0 :               0.00003865456590
                3s
                   +0 :              -0.00003069421061
                2p
                   -1 :               0.00002575754523
                   +0 :              -0.00006555095048
                   +1 :              -0.00005272343918
                3p
                   -1 :              -0.00002225217256
                   +0 :               0.00002121345019
                   +1 :               0.00001264486064
                3d
                   -2 :              -0.00000014486500
                   -1 :              -0.00000243356480
                   +0 :              -0.00000126578398
                   +1 :               0.00000147417319
                   +2 :              -0.00000085486030
             10 vec=     3.012479     10.723014     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001323799811
                2s
                   +0 :               0.00009080370821
                3s
                   +0 :              -0.00004107171658
                2p
                   -1 :               0.00006758516477
                   +0 :              -0.00002311058811
                   +1 :               0.00010385907832
                3p
                   -1 :              -0.00004101963755
                   +0 :               0.00006846544528
                   +1 :              -0.00011026502163
                3d
                   -2 :              -0.00001191083978
                   -1 :              -0.00000183709293
                   +0 :               0.00000476010014
                   +1 :              -0.00000520958243
                   +2 :               0.00000808602945
             11 vec=    10.792642     -2.752623    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001829522526
                2s
                   +0 :              -0.00003236814207
                3s
                   +0 :               0.00009408632599
                2p
                   -1 :               0.00017720613877
                   +0 :               0.00019392669748
                   +1 :              -0.00014196437933
                3p
                   -1 :              -0.00016729634316
                   +0 :              -0.00029616424474
                   +1 :               0.00017046115601
                3d
                   -2 :              -0.00000150477931
                   -1 :               0.00000687465876
                   +0 :               0.00001649029810
                   +1 :              -0.00000385104686
                   +2 :              -0.00000596267770
             12 vec=    10.792642     -2.752623     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000465712627
                2s
                   +0 :              -0.00000016793525
                3s
                   +0 :               0.00002290864236
                2p
                   -1 :              -0.00009955111317
                   +0 :               0.00002182466397
                   +1 :              -0.00006842364039
                3p
                   -1 :               0.00006197144260
                   +0 :               0.00003720888861
                   +1 :               0.00007056452923
                3d
                   -2 :               0.00000622865613
                   -1 :               0.00000651020410
                   +0 :              -0.00000039127713
                   +1 :               0.00000390697683
                   +2 :               0.00000582253622
             13 vec=    10.792642      6.231135    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001715997671
                2s
                   +0 :               0.00016649020023
                3s
                   +0 :              -0.00003163242767
                2p
                   -1 :              -0.00000098019035
                   +0 :              -0.00009488494273
                   +1 :               0.00005776858695
                3p
                   -1 :               0.00002792081712
                   +0 :               0.00002465053755
                   +1 :               0.00001750715997
                3d
                   -2 :               0.00000554706163
                   -1 :              -0.00000034350255
                   +0 :              -0.00000030683500
                   +1 :              -0.00000244481596
                   +2 :              -0.00000151513799
             14 vec=    10.792642      6.231135     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00001765254318
                2s
                   +0 :               0.00017104213754
                3s
                   +0 :              -0.00003436396817
                2p
                   -1 :               0.00013041047398
                   +0 :               0.00006542877362
                   +1 :               0.00004888712239
                3p
                   -1 :              -0.00007149119894
                   +0 :               0.00001471139103
                   +1 :               0.00002476206202
                3d
                   -2 :               0.00000197090249
                   -1 :              -0.00000068820725
                   +0 :               0.00000364524321
                   +1 :               0.00000146824495
                   +2 :               0.00000586893252
             15 vec=   -12.547846      1.739256    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000403217831
                2s
                   +0 :              -0.00001521124903
                3s
                   +0 :               0.00002011249038
                2p
                   -1 :              -0.00006489504965
                   +0 :               0.00002337644258
                   +1 :              -0.00001240819313
                3p
                   -1 :               0.00002239352530
                   +0 :               0.00001169496100
                   +1 :               0.00000917447794
                3d
                   -2 :              -0.00000077121389
                   -1 :              -0.00000380663388
                   +0 :              -0.00000559111206
                   +1 :               0.00000117939206
                   +2 :               0.00000345225418
             16 vec=   -12.547846      1.739256     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001704019275
                2s
                   +0 :              -0.00013885880285
                3s
                   +0 :               0.00004374274173
                2p
                   -1 :              -0.00004176209277
                   +0 :              -0.00007475683997
                   +1 :               0.00008085122919
                3p
                   -1 :               0.00001529344676
                   +0 :               0.00001899916601
                   +1 :              -0.00004146305631
                3d
                   -2 :               0.00000428261506
                   -1 :              -0.00000346375138
                   +0 :              -0.00000003982329
                   +1 :              -0.00000371643790
                   +2 :              -0.00000128124842
             17 vec=    -4.767684    -11.736381    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001701906316
                2s
                   +0 :               0.00009078865437
                3s
                   +0 :              -0.00005580196140
                2p
                   -1 :               0.00005269659054
                   +0 :              -0.00010507753760
                   +1 :               0.00004118199902
                3p
                   -1 :              -0.00006063640575
                   +0 :               0.00009428520344
                   +1 :              -0.00003586013087
                3d
                   -2 :              -0.00000611576725
                   -1 :              -0.00000377416927
                   +0 :              -0.00000423318460
                   +1 :              -0.00000612648575
                   +2 :              -0.00000561917366
             18 vec=    -4.767684    -11.736381     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001404731359
                2s
                   +0 :              -0.00010548640456
                3s
                   +0 :               0.00005587104504
                2p
                   -1 :               0.00009822661169
                   +0 :              -0.00006884863713
                   +1 :              -0.00003090918529
                3p
                   -1 :              -0.00008107340625
                   +0 :               0.00003868520088
                   +1 :               0.00001660298633
                3d
                   -2 :               0.00000369330660
                   -1 :              -0.00001131801939
                   +0 :               0.00000300782350
                   +1 :              -0.00000108986299
                   +2 :              -0.00001431125259
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 27)  npairs=  14
              1 vec=    -2.384101      1.375863    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003155514114
                2s
                   +0 :              -0.00017555551744
                3s
                   +0 :               0.00009069323532
                2p
                   -1 :               0.00028892129544
                   +0 :               0.00030405961928
                   +1 :              -0.00000553458442
                3p
                   -1 :              -0.00019667725764
                   +0 :              -0.00034061768526
                   +1 :              -0.00003338964928
                3d
                   -2 :              -0.00001527595610
                   -1 :              -0.00000022838894
                   +0 :               0.00004491934887
                   +1 :               0.00001563728730
                   +2 :               0.00000769499715
              2 vec=    -2.384101      1.375863     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003168657100
                2s
                   +0 :               0.00004407367666
                3s
                   +0 :              -0.00011772395118
                2p
                   -1 :               0.00019792718615
                   +0 :               0.00022388556687
                   +1 :               0.00006626168231
                3p
                   -1 :              -0.00003189158691
                   +0 :              -0.00019908597229
                   +1 :              -0.00014373587084
                3d
                   -2 :               0.00000369486814
                   -1 :               0.00001026774562
                   +0 :              -0.00002432109042
                   +1 :              -0.00002519907300
                   +2 :               0.00000006417183
              3 vec=     5.396061     -3.116016    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00004917310499
                2s
                   +0 :               0.00043719649908
                3s
                   +0 :              -0.00004816542757
                2p
                   -1 :              -0.00044940827997
                   +0 :              -0.00031529200865
                   +1 :              -0.00028531492589
                3p
                   -1 :               0.00018887086631
                   +0 :               0.00009475448064
                   +1 :               0.00022499538789
                3d
                   -2 :              -0.00000072503139
                   -1 :              -0.00000231367277
                   +0 :               0.00004186275632
                   +1 :              -0.00002190643002
                   +2 :               0.00003535743369
              4 vec=     5.396061     -3.116016     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00003732054050
                2s
                   +0 :               0.00034310439742
                3s
                   +0 :               0.00001232066917
                2p
                   -1 :              -0.00014047783928
                   +0 :              -0.00009421896714
                   +1 :               0.00013472429631
                3p
                   -1 :              -0.00004903408360
                   +0 :               0.00027762288818
                   +1 :              -0.00016380861411
                3d
                   -2 :              -0.00000139331724
                   -1 :              -0.00001746736381
                   +0 :               0.00004856080765
                   +1 :               0.00000457421802
                   +2 :              -0.00000597713806
              5 vec=     5.396061      5.867742    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002116314920
                2s
                   +0 :               0.00029721741992
                3s
                   +0 :              -0.00000570757030
                2p
                   -1 :              -0.00000147276309
                   +0 :              -0.00000359154536
                   +1 :               0.00013181581383
                3p
                   -1 :               0.00003624493360
                   +0 :              -0.00018440765747
                   +1 :              -0.00002189196068
                3d
                   -2 :               0.00000910472332
                   -1 :              -0.00001566213258
                   +0 :               0.00001612057336
                   +1 :              -0.00002109463676
                   +2 :               0.00001596266327
              6 vec=     5.396061      5.867742     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000566765525
                2s
                   +0 :               0.00029316084108
                3s
                   +0 :               0.00002499893004
                2p
                   -1 :               0.00001648533847
                   +0 :               0.00010271474032
                   +1 :               0.00013152709530
                3p
                   -1 :              -0.00003114085580
                   +0 :               0.00014870215678
                   +1 :               0.00002044786003
                3d
                   -2 :               0.00000618336194
                   -1 :              -0.00000140737139
                   +0 :               0.00001071215771
                   +1 :               0.00002852226019
                   +2 :              -0.00000214684257
              7 vec=    -2.384101     -7.607895    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003623873717
                2s
                   +0 :               0.00030041722315
                3s
                   +0 :              -0.00014181023529
                2p
                   -1 :              -0.00026733786507
                   +0 :              -0.00034584703552
                   +1 :              -0.00006222887665
                3p
                   -1 :               0.00016064899957
                   +0 :               0.00017406616438
                   +1 :               0.00004052161264
                3d
                   -2 :              -0.00001157872361
                   -1 :               0.00000023130867
                   +0 :               0.00000079899473
                   +1 :              -0.00000927435514
                   +2 :               0.00000011892645
              8 vec=    -2.384101     -7.607895     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00000851177027
                2s
                   +0 :               0.00008209547019
                3s
                   +0 :               0.00001749535239
                2p
                   -1 :              -0.00011525309522
                   +0 :               0.00002757408542
                   +1 :               0.00017521265791
                3p
                   -1 :               0.00007211042852
                   +0 :               0.00003151655832
                   +1 :              -0.00015943820502
                3d
                   -2 :               0.00000466057649
                   -1 :              -0.00000102064910
                   +0 :               0.00001087417616
                   +1 :               0.00000688086435
                   +2 :              -0.00000741354267
              9 vec=    -2.384101     10.359621    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000542427124
                2s
                   +0 :              -0.00004196533728
                3s
                   +0 :               0.00001323471225
                2p
                   -1 :               0.00007890173304
                   +0 :              -0.00000997644965
                   +1 :              -0.00005037845175
                3p
                   -1 :              -0.00005762597282
                   +0 :               0.00004984732766
                   +1 :               0.00004953991506
                3d
                   -2 :               0.00000317918795
                   -1 :              -0.00000072691423
                   +0 :               0.00000068582176
                   +1 :              -0.00000044538909
                   +2 :              -0.00000378148278
             10 vec=    -2.384101     10.359621     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000910062229
                2s
                   +0 :              -0.00007180131939
                3s
                   +0 :               0.00004322558946
                2p
                   -1 :               0.00011687320198
                   +0 :              -0.00011581637172
                   +1 :              -0.00001704123439
                3p
                   -1 :              -0.00009558570459
                   +0 :               0.00008035415338
                   +1 :              -0.00000033941999
                3d
                   -2 :              -0.00000574481686
                   -1 :              -0.00000148636685
                   +0 :               0.00000157737877
                   +1 :              -0.00000357809651
                   +2 :               0.00000241868998
             11 vec=   -10.164264     -3.116016    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000292316071
                2s
                   +0 :              -0.00000920960757
                3s
                   +0 :              -0.00002842435333
                2p
                   -1 :               0.00006646738412
                   +0 :               0.00000592728004
                   +1 :               0.00007331973664
                3p
                   -1 :              -0.00000984508779
                   +0 :               0.00004557146861
                   +1 :              -0.00004059869960
                3d
                   -2 :               0.00000029646667
                   -1 :              -0.00000266298004
                   +0 :              -0.00001908517786
                   +1 :              -0.00000276692259
                   +2 :               0.00000203843582
             12 vec=   -10.164264     -3.116016     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000633594902
                2s
                   +0 :              -0.00003927143614
                3s
                   +0 :              -0.00000431134757
                2p
                   -1 :              -0.00004883845809
                   +0 :               0.00001312052356
                   +1 :              -0.00005365706414
                3p
                   -1 :               0.00008492018014
                   +0 :              -0.00006005175318
                   +1 :               0.00004794966963
                3d
                   -2 :               0.00001020199723
                   -1 :               0.00000452689557
                   +0 :              -0.00000888162782
                   +1 :               0.00000607959483
                   +2 :              -0.00000683547520
             13 vec=   -10.164264      5.867742    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00003967237379
                2s
                   +0 :               0.00038550441492
                3s
                   +0 :              -0.00004534915540
                2p
                   -1 :              -0.00009856742745
                   +0 :              -0.00011050115735
                   +1 :               0.00012389937636
                3p
                   -1 :               0.00005449126835
                   +0 :              -0.00002656388459
                   +1 :              -0.00012644655693
                3d
                   -2 :              -0.00000424722827
                   -1 :              -0.00000173248804
                   +0 :               0.00001868884346
                   +1 :               0.00001483145761
                   +2 :               0.00000441558992
             14 vec=   -10.164264      5.867742     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001801073385
                2s
                   +0 :              -0.00015607516092
                3s
                   +0 :               0.00002020556277
                2p
                   -1 :              -0.00004743514867
                   +0 :              -0.00005882308405
                   +1 :               0.00003243614389
                3p
                   -1 :               0.00002182505659
                   +0 :              -0.00002293920056
                   +1 :               0.00004908024446
                3d
                   -2 :               0.00000221974755
                   -1 :               0.00000335372907
                   +0 :              -0.00000160060809
                   +1 :               0.00000724359724
                   +2 :              -0.00000867275226
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 28)  npairs=  12
              1 vec=    -4.768202     -0.000000      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00499463208386
                2s
                   +0 :              -0.11437840749536
                3s
                   +0 :               0.01182139535124
                2p
                   -1 :              -0.00742128956588
                   +0 :               0.00460944016687
                   +1 :               0.07058317834150
                3p
                   -1 :               0.00377038587435
                   +0 :              -0.00392855355821
                   +1 :              -0.00998853768790
                3d
                   -2 :              -0.00122218975826
                   -1 :              -0.00104718885849
                   +0 :               0.00238500683092
                   +1 :               0.00011316601228
                   +2 :              -0.00356268570490
              2 vec=     3.011960     -4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00015504880506
                2s
                   +0 :               0.02679525533583
                3s
                   +0 :               0.00469047309234
                2p
                   -1 :              -0.02133297147720
                   +0 :               0.00298091323538
                   +1 :               0.00814057168256
                3p
                   -1 :              -0.00447371635387
                   +0 :              -0.00341025250905
                   +1 :               0.00212752958744
                3d
                   -2 :              -0.00189129783164
                   -1 :               0.00069695242969
                   +0 :              -0.00127459045752
                   +1 :               0.00054095563156
                   +2 :              -0.00149274118376
              3 vec=     3.011960      4.491879      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00153948574479
                2s
                   +0 :               0.03020334438735
                3s
                   +0 :              -0.00293329726239
                2p
                   -1 :               0.02131229159289
                   +0 :               0.00191732769162
                   +1 :               0.00947732717983
                3p
                   -1 :              -0.00260720720038
                   +0 :              -0.00158909764480
                   +1 :              -0.00030350802767
                3d
                   -2 :               0.00085011967771
                   -1 :               0.00030586125736
                   +0 :              -0.00079214204373
                   +1 :               0.00030992117456
                   +2 :              -0.00114483102118
              4 vec=    -4.768202     -8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00026726388295
                2s
                   +0 :              -0.00285470790999
                3s
                   +0 :               0.00015219727330
                2p
                   -1 :               0.00383827016091
                   +0 :              -0.00004097372913
                   +1 :               0.00135243929961
                3p
                   -1 :               0.00020640493641
                   +0 :               0.00025233477947
                   +1 :              -0.00013289088759
                3d
                   -2 :              -0.00025026180246
                   -1 :              -0.00008932984592
                   +0 :               0.00019756134119
                   +1 :              -0.00001402617894
                   +2 :               0.00016197830075
              5 vec=    -4.768202      8.983758      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00027090508483
                2s
                   +0 :              -0.00282612439534
                3s
                   +0 :               0.00052408974005
                2p
                   -1 :              -0.00265453417793
                   +0 :              -0.00051214653264
                   +1 :               0.00184475519155
                3p
                   -1 :               0.00058685081875
                   +0 :               0.00025875689380
                   +1 :              -0.00082927569059
                3d
                   -2 :               0.00001183385457
                   -1 :              -0.00006494132366
                   +0 :              -0.00004761753720
                   +1 :              -0.00002733347317
                   +2 :               0.00006516583168
              6 vec=    10.792123      0.000000      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00100386685970
                2s
                   +0 :               0.00830777023067
                3s
                   +0 :              -0.00252194645182
                2p
                   -1 :              -0.00007548641287
                   +0 :              -0.00161425447922
                   +1 :               0.00778038992110
                3p
                   -1 :              -0.00011934956719
                   +0 :               0.00155358567909
                   +1 :              -0.00263305043758
                3d
                   -2 :              -0.00005327685211
                   -1 :               0.00004244181797
                   +0 :              -0.00006112699060
                   +1 :               0.00009334563162
                   +2 :               0.00006860264732
              7 vec=   -12.548365     -4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00002084365264
                2s
                   +0 :              -0.00063355063745
                3s
                   +0 :              -0.00003250251799
                2p
                   -1 :               0.00036005815941
                   +0 :              -0.00009979242705
                   +1 :              -0.00020036750022
                3p
                   -1 :              -0.00012693073263
                   +0 :               0.00010882503885
                   +1 :               0.00027829773711
                3d
                   -2 :               0.00003379114984
                   -1 :              -0.00000225183914
                   +0 :               0.00003078528125
                   +1 :               0.00000781147302
                   +2 :              -0.00000992980781
              8 vec=   -12.548365      4.491879      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00007007064732
                2s
                   +0 :              -0.00098731757709
                3s
                   +0 :              -0.00000586534363
                2p
                   -1 :              -0.00044732932796
                   +0 :               0.00013267980023
                   +1 :              -0.00029519027327
                3p
                   -1 :              -0.00008676412270
                   +0 :              -0.00011516292157
                   +1 :               0.00034915311250
                3d
                   -2 :               0.00000622594890
                   -1 :              -0.00001533900336
                   +0 :               0.00002628888161
                   +1 :               0.00000510784908
                   +2 :               0.00003514467007
              9 vec=     3.011960    -13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00006140247852
                2s
                   +0 :              -0.00043355129637
                3s
                   +0 :               0.00018191470839
                2p
                   -1 :               0.00037652921673
                   +0 :              -0.00014151810056
                   +1 :              -0.00057950277278
                3p
                   -1 :              -0.00022424939940
                   +0 :               0.00012946805633
                   +1 :               0.00012973156851
                3d
                   -2 :               0.00004222450503
                   -1 :              -0.00000402460452
                   +0 :              -0.00002517084665
                   +1 :              -0.00000346382187
                   +2 :              -0.00000446554883
             10 vec=     3.011960     13.475637      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00001063941277
                2s
                   +0 :               0.00012106868808
                3s
                   +0 :              -0.00004874838010
                2p
                   -1 :               0.00008768719349
                   +0 :              -0.00006508741845
                   +1 :              -0.00024439989755
                3p
                   -1 :              -0.00006524780663
                   +0 :               0.00004125792975
                   +1 :              -0.00009783115420
                3d
                   -2 :              -0.00004922865651
                   -1 :              -0.00000161457149
                   +0 :               0.00001158228483
                   +1 :              -0.00001383562638
                   +2 :               0.00000685460218
             11 vec=    10.792123     -8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00009734197480
                2s
                   +0 :               0.00093431350444
                3s
                   +0 :              -0.00024279524944
                2p
                   -1 :               0.00001018442915
                   +0 :               0.00007093220859
                   +1 :               0.00072875370096
                3p
                   -1 :              -0.00002618998654
                   +0 :              -0.00004920117734
                   +1 :              -0.00036035445894
                3d
                   -2 :               0.00002477931803
                   -1 :              -0.00000365331853
                   +0 :               0.00002657480917
                   +1 :              -0.00000490403372
                   +2 :              -0.00000685427685
             12 vec=    10.792123      8.983758      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00005690380142
                2s
                   +0 :               0.00075349360206
                3s
                   +0 :              -0.00014431050261
                2p
                   -1 :               0.00031263282081
                   +0 :               0.00009848341602
                   +1 :               0.00025039550829
                3p
                   -1 :               0.00000370442521
                   +0 :              -0.00005932245492
                   +1 :               0.00003066136373
                3d
                   -2 :               0.00000741187275
                   -1 :               0.00000944261123
                   +0 :              -0.00000803941039
                   +1 :               0.00000152643152
                   +2 :              -0.00001314181967
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 29)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00149969952159
                2s
                   +0 :              -0.00178194915350
                3s
                   +0 :              -0.00621559105793
                2p
                   -1 :              -0.00856246672791
                   +0 :               0.01551818247778
                   +1 :               0.86889048761091
                3p
                   -1 :               0.00375195385692
                   +0 :              -0.00547805878283
                   +1 :              -0.03856524631949
                3d
                   -2 :              -0.00378832082315
                   -1 :               0.00081073778091
                   +0 :              -0.00127436228300
                   +1 :              -0.00226004099107
                   +2 :              -0.00071813987753
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00010309304631
                2s
                   +0 :              -0.00088303592427
                3s
                   +0 :              -0.00020186964087
                2p
                   -1 :               0.00379856465867
                   +0 :              -0.00012806423911
                   +1 :               0.00203515353536
                3p
                   -1 :              -0.00118813828455
                   +0 :               0.00011598923888
                   +1 :              -0.00104048535679
                3d
                   -2 :               0.00009434052604
                   -1 :              -0.00000414902976
                   +0 :              -0.00005146224451
                   +1 :              -0.00004256270529
                   +2 :               0.00013318703669
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00010891948858
                2s
                   +0 :              -0.00075677622182
                3s
                   +0 :              -0.00019393300092
                2p
                   -1 :              -0.00119519315598
                   +0 :               0.00154428732100
                   +1 :               0.00065364684498
                3p
                   -1 :              -0.00116673422199
                   +0 :              -0.00142175335548
                   +1 :               0.00007604678017
                3d
                   -2 :               0.00010827305993
                   -1 :               0.00002047166423
                   +0 :               0.00014293567622
                   +1 :               0.00002289953205
                   +2 :               0.00031063461650
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00025534617758
                2s
                   +0 :               0.00121613873495
                3s
                   +0 :              -0.00106246060160
                2p
                   -1 :              -0.00008153029592
                   +0 :              -0.00054262640483
                   +1 :              -0.00283593796500
                3p
                   -1 :               0.00132925813751
                   +0 :               0.00039493109367
                   +1 :               0.00050494673302
                3d
                   -2 :               0.00022820170652
                   -1 :               0.00000780502189
                   +0 :               0.00007971731487
                   +1 :              -0.00004450485702
                   +2 :               0.00012756199279
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00028507455480
                2s
                   +0 :              -0.00204856641040
                3s
                   +0 :               0.00106398769501
                2p
                   -1 :              -0.00217459565578
                   +0 :               0.00016158638067
                   +1 :              -0.00307608409286
                3p
                   -1 :               0.00162517743470
                   +0 :              -0.00010541008979
                   +1 :               0.00107243663238
                3d
                   -2 :               0.00002146059214
                   -1 :              -0.00006292920971
                   +0 :              -0.00000633773854
                   +1 :              -0.00002710467501
                   +2 :              -0.00004768029536
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00006665933001
                2s
                   +0 :              -0.00088218629944
                3s
                   +0 :               0.00067560842594
                2p
                   -1 :               0.00109759981799
                   +0 :              -0.00008409483648
                   +1 :              -0.00036785172438
                3p
                   -1 :              -0.00110922952578
                   +0 :               0.00012179601930
                   +1 :               0.00108623509120
                3d
                   -2 :              -0.00011293969021
                   -1 :               0.00009573792197
                   +0 :               0.00014629612939
                   +1 :               0.00010451273400
                   +2 :               0.00020196725273
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00047279854129
                2s
                   +0 :               0.00166270838465
                3s
                   +0 :              -0.00021113482013
                2p
                   -1 :               0.00155954235555
                   +0 :              -0.00016289194271
                   +1 :               0.00068253138320
                3p
                   -1 :               0.00068006972533
                   +0 :               0.00014642327223
                   +1 :              -0.00003345868042
                3d
                   -2 :              -0.00000782002833
                   -1 :              -0.00021411792717
                   +0 :              -0.00009625064883
                   +1 :               0.00000455244664
                   +2 :              -0.00030025484519
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00012862238110
                2s
                   +0 :              -0.00141475774859
                3s
                   +0 :               0.00023870740996
                2p
                   -1 :              -0.00000488364150
                   +0 :              -0.00014126632034
                   +1 :               0.00128710853418
                3p
                   -1 :               0.00003157658171
                   +0 :               0.00014924649111
                   +1 :              -0.00016321731854
                3d
                   -2 :              -0.00001499300091
                   -1 :               0.00002340621956
                   +0 :               0.00003372805217
                   +1 :              -0.00000853527785
                   +2 :              -0.00005946746953
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00009388995364
                2s
                   +0 :              -0.00090724848350
                3s
                   +0 :               0.00022251615367
                2p
                   -1 :               0.00078488843221
                   +0 :               0.00017179782308
                   +1 :               0.00033518915064
                3p
                   -1 :              -0.00022745561573
                   +0 :              -0.00017124057706
                   +1 :              -0.00005340603373
                3d
                   -2 :              -0.00002462898463
                   -1 :               0.00000973001206
                   +0 :               0.00001371365040
                   +1 :              -0.00001125944099
                   +2 :               0.00000172295524
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002271757274
                2s
                   +0 :              -0.00036874031521
                3s
                   +0 :               0.00000087971345
                2p
                   -1 :              -0.00027590517029
                   +0 :               0.00009746482282
                   +1 :               0.00010529355908
                3p
                   -1 :              -0.00003819681481
                   +0 :              -0.00005527386088
                   +1 :               0.00006604093389
                3d
                   -2 :               0.00002350249798
                   -1 :              -0.00000421838110
                   +0 :               0.00001744883494
                   +1 :              -0.00000916808690
                   +2 :               0.00000261613562
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00007313981022
                2s
                   +0 :               0.00083230565870
                3s
                   +0 :              -0.00015050933492
                2p
                   -1 :              -0.00096485680288
                   +0 :               0.00010875718491
                   +1 :               0.00018657153339
                3p
                   -1 :               0.00025167422641
                   +0 :              -0.00006370301695
                   +1 :               0.00000464378473
                3d
                   -2 :              -0.00003147915039
                   -1 :               0.00000578190164
                   +0 :              -0.00000475204436
                   +1 :               0.00000034099158
                   +2 :              -0.00001510820964
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001723918012
                2s
                   +0 :               0.00041785937882
                3s
                   +0 :              -0.00001463018058
                2p
                   -1 :               0.00042408714364
                   +0 :               0.00003751418123
                   +1 :               0.00034193577537
                3p
                   -1 :              -0.00001865793691
                   +0 :              -0.00005522714429
                   +1 :              -0.00010713605728
                3d
                   -2 :               0.00001681195193
                   -1 :              -0.00001889055880
                   +0 :              -0.00001344408502
                   +1 :              -0.00000053544639
                   +2 :              -0.00001699208645
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001483628534
                2s
                   +0 :               0.00074097536531
                3s
                   +0 :               0.00005011930423
                2p
                   -1 :               0.00021715476652
                   +0 :              -0.00032402295706
                   +1 :               0.00123532628311
                3p
                   -1 :              -0.00014019530345
                   +0 :               0.00032283991908
                   +1 :              -0.00029703679316
                3d
                   -2 :              -0.00003139525502
                   -1 :              -0.00002086631648
                   +0 :               0.00000337172775
                   +1 :               0.00004844014686
                   +2 :               0.00002251871309
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001274652825
                2s
                   +0 :              -0.00013510437260
                3s
                   +0 :               0.00001624473969
                2p
                   -1 :               0.00004411508216
                   +0 :               0.00001199852586
                   +1 :               0.00009324340297
                3p
                   -1 :              -0.00001118542599
                   +0 :              -0.00001243116916
                   +1 :               0.00000151649965
                3d
                   -2 :               0.00000060102923
                   -1 :              -0.00000060160748
                   +0 :              -0.00000106485726
                   +1 :               0.00000152829049
                   +2 :              -0.00000281266967
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001505448490
                2s
                   +0 :              -0.00017245856208
                3s
                   +0 :               0.00003430021543
                2p
                   -1 :              -0.00006515611241
                   +0 :               0.00003445526796
                   +1 :               0.00014149284707
                3p
                   -1 :              -0.00001337840341
                   +0 :              -0.00001074417967
                   +1 :              -0.00002371122878
                3d
                   -2 :               0.00000063129275
                   -1 :               0.00000539268548
                   +0 :               0.00000080544579
                   +1 :               0.00000004154651
                   +2 :               0.00000167736504
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000643129299
                2s
                   +0 :               0.00003360649491
                3s
                   +0 :              -0.00001161168153
                2p
                   -1 :              -0.00006646123948
                   +0 :              -0.00005713492284
                   +1 :              -0.00008507873631
                3p
                   -1 :               0.00005417585878
                   +0 :               0.00004569064774
                   +1 :               0.00003743355938
                3d
                   -2 :               0.00000030371487
                   -1 :              -0.00000230691657
                   +0 :              -0.00000141116205
                   +1 :              -0.00000254955923
                   +2 :              -0.00000106158045
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000329495848
                2s
                   +0 :               0.00001461658552
                3s
                   +0 :              -0.00001804891513
                2p
                   -1 :               0.00005221831614
                   +0 :               0.00001569671905
                   +1 :              -0.00004509377406
                3p
                   -1 :              -0.00004004043543
                   +0 :              -0.00001830702193
                   +1 :               0.00000535901439
                3d
                   -2 :              -0.00000347450996
                   -1 :              -0.00000184321685
                   +0 :              -0.00000049738318
                   +1 :               0.00000132301471
                   +2 :               0.00000330350612
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000836918010
                2s
                   +0 :               0.00013276532306
                3s
                   +0 :              -0.00000969196891
                2p
                   -1 :              -0.00009758800132
                   +0 :               0.00002788661383
                   +1 :               0.00012009491359
                3p
                   -1 :               0.00001197683004
                   +0 :              -0.00001862094221
                   +1 :              -0.00001400311954
                3d
                   -2 :               0.00000050902557
                   -1 :              -0.00000194468039
                   +0 :              -0.00000294949472
                   +1 :              -0.00000224371873
                   +2 :              -0.00000285842059
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001273625704
                2s
                   +0 :               0.00011574137115
                3s
                   +0 :              -0.00000765312598
                2p
                   -1 :               0.00000447229153
                   +0 :              -0.00000992732466
                   +1 :               0.00006730819929
                3p
                   -1 :               0.00002145093085
                   +0 :               0.00001059111393
                   +1 :               0.00001582412437
                3d
                   -2 :              -0.00000344216941
                   -1 :              -0.00000184158645
                   +0 :               0.00000131141808
                   +1 :               0.00000364538085
                   +2 :              -0.00000115850478
WF             site_B          number of pairs
WF( 56)=[O_17_2px]  to site O ( 30)  npairs=  12
              1 vec=    -2.384101     -4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00158035633528
                2s
                   +0 :              -0.05449068385199
                3s
                   +0 :               0.00401582229072
                2p
                   -1 :               0.04142738270861
                   +0 :              -0.00342601078907
                   +1 :               0.00814689415082
                3p
                   -1 :              -0.00736793237030
                   +0 :               0.00203045708536
                   +1 :              -0.00178625115954
                3d
                   -2 :              -0.00127885388443
                   -1 :              -0.00038213381131
                   +0 :               0.00054716393656
                   +1 :               0.00046640718908
                   +2 :               0.00125376898334
              2 vec=    -2.384101      4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00210544396991
                2s
                   +0 :              -0.02792291062600
                3s
                   +0 :               0.00540254274066
                2p
                   -1 :              -0.01750231594956
                   +0 :              -0.00061844054218
                   +1 :               0.00243317406013
                3p
                   -1 :               0.00317447875738
                   +0 :               0.00035918569892
                   +1 :               0.00085331097680
                3d
                   -2 :               0.00044882443040
                   -1 :              -0.00004191935969
                   +0 :               0.00038359595973
                   +1 :               0.00040932746095
                   +2 :               0.00069193503369
              3 vec=     5.396061      0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00070059465855
                2s
                   +0 :               0.04695219210692
                3s
                   +0 :               0.00293214632631
                2p
                   -1 :               0.00308516567246
                   +0 :               0.00345358148705
                   +1 :               0.03403183601666
                3p
                   -1 :               0.00325794338645
                   +0 :              -0.00432304225847
                   +1 :               0.00664314212052
                3d
                   -2 :               0.00040798887353
                   -1 :               0.00005309069479
                   +0 :              -0.00190283905049
                   +1 :              -0.00099552668041
                   +2 :               0.00350597747749
              4 vec=   -10.164264      0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00052687036383
                2s
                   +0 :              -0.00610922864927
                3s
                   +0 :               0.00038851074178
                2p
                   -1 :              -0.00146042446437
                   +0 :              -0.00040541736968
                   +1 :               0.00824770547800
                3p
                   -1 :               0.00013017813824
                   +0 :               0.00002545241245
                   +1 :              -0.00065491734662
                3d
                   -2 :               0.00001758740568
                   -1 :              -0.00001229349131
                   +0 :               0.00018684090376
                   +1 :               0.00012080652247
                   +2 :              -0.00043598974651
              5 vec=     5.396061     -8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00074622160364
                2s
                   +0 :               0.00605637333984
                3s
                   +0 :              -0.00161451628435
                2p
                   -1 :              -0.00593689629259
                   +0 :               0.00011034400202
                   +1 :               0.00064455868593
                3p
                   -1 :               0.00141630276828
                   +0 :              -0.00012576822288
                   +1 :               0.00113948005929
                3d
                   -2 :              -0.00035405300299
                   -1 :               0.00007736709014
                   +0 :              -0.00037797544310
                   +1 :              -0.00011223762678
                   +2 :              -0.00005568426956
              6 vec=     5.396061      9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00031644617455
                2s
                   +0 :               0.00319179902803
                3s
                   +0 :              -0.00062503160687
                2p
                   -1 :               0.00335970462102
                   +0 :               0.00039390981180
                   +1 :               0.00083384322302
                3p
                   -1 :              -0.00083329281362
                   +0 :              -0.00038527146658
                   +1 :              -0.00009902594747
                3d
                   -2 :               0.00007020646618
                   -1 :               0.00002539549536
                   +0 :              -0.00006688605131
                   +1 :              -0.00008057946810
                   +2 :              -0.00009929273870
              7 vec=   -10.164264     -8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00004293360154
                2s
                   +0 :              -0.00093425821996
                3s
                   +0 :               0.00000057465141
                2p
                   -1 :              -0.00006246640476
                   +0 :               0.00002261220545
                   +1 :               0.00032571560494
                3p
                   -1 :               0.00040700749823
                   +0 :              -0.00006957244979
                   +1 :               0.00002891935059
                3d
                   -2 :              -0.00003947416893
                   -1 :              -0.00000493032835
                   +0 :               0.00002609469475
                   +1 :               0.00000776309119
                   +2 :               0.00003176078516
              8 vec=    -2.384101    -13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00008469312626
                2s
                   +0 :              -0.00064789369047
                3s
                   +0 :               0.00014781342579
                2p
                   -1 :              -0.00015070844345
                   +0 :              -0.00009379719754
                   +1 :              -0.00036500350166
                3p
                   -1 :               0.00020254173763
                   +0 :               0.00011569286458
                   +1 :               0.00008884509398
                3d
                   -2 :               0.00001473233559
                   -1 :              -0.00001093167548
                   +0 :               0.00002107146262
                   +1 :               0.00001218222608
                   +2 :              -0.00001123767196
              9 vec=   -10.164264      9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005145272582
                2s
                   +0 :              -0.00073111217571
                3s
                   +0 :               0.00005460510322
                2p
                   -1 :              -0.00080372380289
                   +0 :              -0.00004169343263
                   +1 :               0.00024651890967
                3p
                   -1 :               0.00031213477799
                   +0 :               0.00003487569851
                   +1 :               0.00007947164687
                3d
                   -2 :               0.00000373897911
                   -1 :               0.00000253667580
                   +0 :               0.00000706167702
                   +1 :               0.00000946398803
                   +2 :              -0.00002291398040
             10 vec=    13.176224     -4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00006106282879
                2s
                   +0 :               0.00088273516541
                3s
                   +0 :              -0.00016784197657
                2p
                   -1 :              -0.00073883283844
                   +0 :               0.00008441506673
                   +1 :               0.00026734426702
                3p
                   -1 :               0.00024880383189
                   +0 :              -0.00006569835353
                   +1 :              -0.00005020320036
                3d
                   -2 :              -0.00000360902378
                   -1 :               0.00002883536212
                   +0 :              -0.00001052193360
                   +1 :               0.00000062293829
                   +2 :              -0.00001066562937
             11 vec=    -2.384101     13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000760652314
                2s
                   +0 :              -0.00014062787738
                3s
                   +0 :              -0.00001408619133
                2p
                   -1 :              -0.00006511393498
                   +0 :               0.00012664730456
                   +1 :              -0.00017042274711
                3p
                   -1 :               0.00001247544142
                   +0 :              -0.00011612482829
                   +1 :              -0.00000025044470
                3d
                   -2 :              -0.00000705750599
                   -1 :              -0.00000048005319
                   +0 :               0.00000890092750
                   +1 :               0.00001445269443
                   +2 :              -0.00000527025828
             12 vec=    13.176224      4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00000514445021
                2s
                   +0 :               0.00034893738881
                3s
                   +0 :              -0.00001793232451
                2p
                   -1 :              -0.00001476102593
                   +0 :              -0.00015920536097
                   +1 :               0.00008424046552
                3p
                   -1 :               0.00010700395736
                   +0 :               0.00014547603526
                   +1 :               0.00002035183791
                3d
                   -2 :              -0.00001304351548
                   -1 :               0.00000747513346
                   +0 :              -0.00000600682796
                   +1 :               0.00000435024704
                   +2 :              -0.00001255901220
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al(  1)  npairs=  14
              1 vec=    -2.593388     -1.738956     -1.580534   |vec|=    3.499674
                2s
                   +0 :              -0.02406759792463
                2p
                   -1 :               0.00680733883978
                   +0 :               0.01581855841046
                   +1 :               0.02322509759577
                3s
                   +0 :              -0.06836318565278
                4s
                   +0 :              -0.00503253475171
                3p
                   -1 :               0.00335940809518
                   +0 :               0.02774143978621
                   +1 :               0.05268872737209
                4p
                   -1 :               0.00322890758558
                   +0 :               0.00729158482201
                   +1 :               0.01144555281157
                3d
                   -2 :              -0.01126748291059
                   -1 :              -0.00596648909689
                   +0 :              -0.00137337272455
                   +1 :              -0.03654201276062
                   +2 :              -0.03438749223610
              2 vec=     5.186775      2.752923     -1.580534   |vec|=    6.081062
                2s
                   +0 :              -0.00292435308760
                2p
                   -1 :              -0.00109532085955
                   +0 :               0.00003576327055
                   +1 :              -0.00287355462213
                3s
                   +0 :               0.00769347184542
                4s
                   +0 :              -0.00438924480508
                3p
                   -1 :               0.00362415606639
                   +0 :               0.00133316310229
                   +1 :               0.00854137808459
                4p
                   -1 :              -0.00078896878430
                   +0 :              -0.00028584386429
                   +1 :              -0.00372843355130
                3d
                   -2 :               0.00163216553360
                   -1 :              -0.00049533345690
                   +0 :              -0.00125536457299
                   +1 :              -0.00007757787647
                   +2 :              -0.00231377233108
              3 vec=    -2.593388      7.244802     -1.580534   |vec|=    7.855629
                2s
                   +0 :              -0.00018950131523
                2p
                   -1 :              -0.00054637207866
                   +0 :              -0.00020382426896
                   +1 :               0.00047068276380
                3s
                   +0 :               0.01325500397351
                4s
                   +0 :              -0.00036753637714
                3p
                   -1 :               0.00716991217109
                   +0 :              -0.00724731342497
                   +1 :               0.00367799040654
                4p
                   -1 :              -0.00018485935247
                   +0 :               0.00008146268381
                   +1 :               0.00027664962846
                3d
                   -2 :               0.00283063578287
                   -1 :              -0.00299524738173
                   +0 :               0.00124043372088
                   +1 :              -0.00094340777090
                   +2 :              -0.00157148096017
              4 vec=     5.186775     -6.230835     -1.580534   |vec|=    8.259784
                2s
                   +0 :               0.00035975683908
                2p
                   -1 :               0.00089945768628
                   +0 :              -0.00003096110384
                   +1 :               0.00003143101292
                3s
                   +0 :              -0.00823015505148
                4s
                   +0 :               0.00082294447672
                3p
                   -1 :              -0.00655792598748
                   +0 :               0.00561651494049
                   +1 :              -0.00554604101952
                4p
                   -1 :               0.00113487316721
                   +0 :              -0.00055268391067
                   +1 :               0.00015952926680
                3d
                   -2 :              -0.00181081149195
                   -1 :               0.00069050591421
                   +0 :              -0.00103307498694
                   +1 :               0.00328665890711
                   +2 :              -0.00229058234111
              5 vec=   -10.373550      2.752923     -1.580534   |vec|=   10.848374
                2s
                   +0 :               0.00002283149627
                2p
                   -1 :               0.00013475629532
                   +0 :               0.00019182857889
                   +1 :              -0.00016460784005
                3s
                   +0 :               0.00127197544459
                4s
                   +0 :              -0.00004412583346
                3p
                   -1 :              -0.00126684033124
                   +0 :              -0.00124992069354
                   +1 :              -0.00020244008667
                4p
                   -1 :               0.00004820049771
                   +0 :               0.00010015166456
                   +1 :              -0.00008076458035
                3d
                   -2 :               0.00026073784771
                   -1 :               0.00026903265302
                   +0 :              -0.00011416405962
                   +1 :               0.00027373520538
                   +2 :              -0.00038650734730
              6 vec=    -2.593388    -10.722714     -1.580534   |vec|=   11.144521
                2s
                   +0 :               0.00038124062732
                2p
                   -1 :              -0.00021128227201
                   +0 :              -0.00004785282083
                   +1 :               0.00020601912703
                3s
                   +0 :              -0.00329943989202
                4s
                   +0 :               0.00099596858354
                3p
                   -1 :               0.00255778850022
                   +0 :               0.00096216281721
                   +1 :              -0.00039135249276
                4p
                   -1 :              -0.00060318877026
                   +0 :              -0.00017384462262
                   +1 :               0.00029144133846
                3d
                   -2 :               0.00037928260456
                   -1 :              -0.00042786123954
                   +0 :               0.00008975966519
                   +1 :              -0.00024091106982
                   +2 :               0.00055259136271
              7 vec=   -10.373550     -6.230835     -1.580534   |vec|=   12.203767
                2s
                   +0 :               0.00021721016443
                2p
                   -1 :              -0.00010586634381
                   +0 :              -0.00017842366135
                   +1 :              -0.00013436869641
                3s
                   +0 :              -0.00055779868354
                4s
                   +0 :               0.00001146920598
                3p
                   -1 :               0.00066375417585
                   +0 :               0.00086017945962
                   +1 :               0.00047554689180
                4p
                   -1 :              -0.00014737858875
                   +0 :              -0.00013286976050
                   +1 :              -0.00007923446821
                3d
                   -2 :              -0.00023592660679
                   -1 :              -0.00008058014408
                   +0 :               0.00009812703801
                   +1 :              -0.00013196564086
                   +2 :               0.00014108445488
              8 vec=     5.186775     11.736681     -1.580534   |vec|=   12.928666
                2s
                   +0 :              -0.00027389716054
                2p
                   -1 :               0.00018687915156
                   +0 :              -0.00013769618322
                   +1 :              -0.00005829405324
                3s
                   +0 :               0.00257513624001
                4s
                   +0 :              -0.00035846901880
                3p
                   -1 :               0.00035283416657
                   +0 :              -0.00086615217903
                   +1 :              -0.00064955232375
                4p
                   -1 :               0.00017869138281
                   +0 :               0.00001984527989
                   +1 :              -0.00006310622180
                3d
                   -2 :              -0.00052456534309
                   -1 :              -0.00050914037475
                   +0 :               0.00022278162914
                   +1 :               0.00040285874197
                   +2 :               0.00009279990671
              9 vec=    12.966938     -1.738956     -1.580534   |vec|=   13.178146
                2s
                   +0 :               0.00018793595960
                2p
                   -1 :               0.00002825946048
                   +0 :              -0.00009559488935
                   +1 :               0.00001825090480
                3s
                   +0 :              -0.00093721794270
                4s
                   +0 :               0.00005515549780
                3p
                   -1 :               0.00014515467982
                   +0 :               0.00084406789905
                   +1 :              -0.00024980053042
                4p
                   -1 :               0.00003943462067
                   +0 :              -0.00018849176799
                   +1 :              -0.00007167283006
                3d
                   -2 :               0.00008598864894
                   -1 :              -0.00017521109220
                   +0 :              -0.00007271944251
                   +1 :               0.00032965338871
                   +2 :               0.00005337818814
             10 vec=    12.966938      7.244802     -1.580534   |vec|=   14.937427
                2s
                   +0 :              -0.00010028080636
                2p
                   -1 :              -0.00004729895796
                   +0 :               0.00000600100884
                   +1 :              -0.00003818429192
                3s
                   +0 :               0.00065250006104
                4s
                   +0 :              -0.00022703063098
                3p
                   -1 :               0.00018384534777
                   +0 :              -0.00016617527111
                   +1 :               0.00046915184647
                4p
                   -1 :              -0.00009276622205
                   +0 :               0.00001394580082
                   +1 :              -0.00012985362460
                3d
                   -2 :               0.00003336804074
                   -1 :               0.00005005061272
                   +0 :               0.00000977896527
                   +1 :              -0.00006720055017
                   +2 :               0.00000592960587
             11 vec=   -10.373550     11.736681     -1.580534   |vec|=   15.743516
                2s
                   +0 :              -0.00015960956884
                2p
                   -1 :              -0.00008545130794
                   +0 :               0.00002757001243
                   +1 :               0.00005353732617
                3s
                   +0 :               0.00056791020954
                4s
                   +0 :              -0.00024560632204
                3p
                   -1 :               0.00038090752168
                   +0 :              -0.00018941623488
                   +1 :              -0.00036336461123
                4p
                   -1 :              -0.00008620808736
                   +0 :               0.00005137961208
                   +1 :               0.00010714079420
                3d
                   -2 :              -0.00010000460268
                   -1 :              -0.00004989004990
                   +0 :              -0.00006588982053
                   +1 :               0.00006355799753
                   +2 :               0.00005557543271
             12 vec=     5.186775    -15.214593     -1.580534   |vec|=   16.151921
                2s
                   +0 :               0.00006497672076
                2p
                   -1 :               0.00002002544519
                   +0 :               0.00001187673918
                   +1 :               0.00003524282687
                3s
                   +0 :              -0.00024024017002
                4s
                   +0 :              -0.00002256986310
                3p
                   -1 :              -0.00026339291791
                   +0 :               0.00000623865897
                   +1 :              -0.00020966358465
                4p
                   -1 :               0.00013034788195
                   +0 :               0.00001874737075
                   +1 :               0.00004167454546
                3d
                   -2 :               0.00006865526265
                   -1 :               0.00000558379235
                   +0 :               0.00000948248087
                   +1 :               0.00004923203658
                   +2 :              -0.00006679786872
             13 vec=    -2.593388     16.228560     -1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00004594850557
                2p
                   -1 :              -0.00002387029479
                   +0 :               0.00004855747375
                   +1 :              -0.00001986436403
                3s
                   +0 :               0.00028996292439
                4s
                   +0 :              -0.00002633695810
                3p
                   -1 :               0.00013671057623
                   +0 :              -0.00032306009127
                   +1 :               0.00010673361316
                4p
                   -1 :              -0.00002072263499
                   +0 :               0.00004323686246
                   +1 :              -0.00001819634486
                3d
                   -2 :               0.00002306144683
                   -1 :              -0.00009944456103
                   +0 :               0.00001098462254
                   +1 :              -0.00005772336309
                   +2 :              -0.00002271400432
             14 vec=    12.966938    -10.722714     -1.580534   |vec|=   16.900182
                2s
                   +0 :              -0.00001099164774
                2p
                   -1 :              -0.00001506729376
                   +0 :               0.00001189200589
                   +1 :              -0.00000685989219
                3s
                   +0 :              -0.00012146826687
                4s
                   +0 :               0.00005550817337
                3p
                   -1 :               0.00015996041535
                   +0 :               0.00002055960211
                   +1 :              -0.00004646004614
                4p
                   -1 :              -0.00003005007479
                   +0 :               0.00000465603475
                   +1 :               0.00003663596605
                3d
                   -2 :               0.00002346587292
                   -1 :              -0.00003491972990
                   +0 :              -0.00000116421370
                   +1 :              -0.00000294639678
                   +2 :               0.00001808175084
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al(  2)  npairs=  14
              1 vec=    -2.593388     -1.738956      5.671791   |vec|=    6.474477
                2s
                   +0 :               0.00098288154271
                2p
                   -1 :               0.00021483192895
                   +0 :               0.00062420772180
                   +1 :              -0.00063425891537
                3s
                   +0 :              -0.00221771888364
                4s
                   +0 :               0.00061435382760
                3p
                   -1 :              -0.00217324598394
                   +0 :              -0.00359968370827
                   +1 :               0.00229259381158
                4p
                   -1 :               0.00083321112833
                   +0 :               0.00159914421811
                   +1 :               0.00002214600219
                3d
                   -2 :              -0.00094473412677
                   -1 :               0.00181004081120
                   +0 :              -0.00156538033734
                   +1 :              -0.00034686411181
                   +2 :               0.00089455327902
              2 vec=     5.186775      2.752923      5.671791   |vec|=    8.163972
                2s
                   +0 :              -0.00022184236447
                2p
                   -1 :              -0.00051278858619
                   +0 :              -0.00079619269725
                   +1 :               0.00036969640369
                3s
                   +0 :               0.00211056600932
                4s
                   +0 :               0.00086632883522
                3p
                   -1 :               0.00451190992188
                   +0 :               0.00343267055539
                   +1 :              -0.00228145934052
                4p
                   -1 :              -0.00085246722669
                   +0 :              -0.00096304483517
                   +1 :               0.00110071804723
                3d
                   -2 :               0.00122406484462
                   -1 :               0.00110007234056
                   +0 :              -0.00043515889382
                   +1 :              -0.00009595016188
                   +2 :              -0.00110924961543
              3 vec=    -2.593388      7.244802      5.671791   |vec|=    9.559395
                2s
                   +0 :               0.00034019876804
                2p
                   -1 :              -0.00080814311838
                   +0 :               0.00030401785394
                   +1 :              -0.00042268139800
                3s
                   +0 :               0.00022206882642
                4s
                   +0 :              -0.00041936319473
                3p
                   -1 :               0.00500267744566
                   +0 :              -0.00069685713369
                   +1 :               0.00279491489564
                4p
                   -1 :              -0.00150539896596
                   +0 :               0.00012662456960
                   +1 :              -0.00067166782882
                3d
                   -2 :              -0.00034225678596
                   -1 :               0.00076295490469
                   +0 :               0.00028298353619
                   +1 :               0.00046677181629
                   +2 :              -0.00066758629786
              4 vec=     5.186775     -6.230835      5.671791   |vec|=    9.894198
                2s
                   +0 :              -0.00208479676439
                2p
                   -1 :               0.00138554996576
                   +0 :              -0.00016565470986
                   +1 :               0.00020691328390
                3s
                   +0 :               0.00589657478066
                4s
                   +0 :              -0.00171723595984
                3p
                   -1 :              -0.00629734084901
                   +0 :              -0.00039400941017
                   +1 :              -0.00125833960129
                4p
                   -1 :               0.00140402562028
                   +0 :               0.00060567893426
                   +1 :               0.00009167293373
                3d
                   -2 :               0.00027022265626
                   -1 :              -0.00050282198222
                   +0 :              -0.00064190003957
                   +1 :              -0.00035232768897
                   +2 :              -0.00110961504327
              5 vec=   -10.373550      2.752923      5.671791   |vec|=   12.139125
                2s
                   +0 :               0.00007500636905
                2p
                   -1 :              -0.00004435804715
                   +0 :               0.00012425133182
                   +1 :              -0.00014635564122
                3s
                   +0 :              -0.00036712821824
                4s
                   +0 :               0.00034330825807
                3p
                   -1 :               0.00041180923750
                   +0 :              -0.00012927850407
                   +1 :               0.00108199523540
                4p
                   -1 :              -0.00009155287751
                   +0 :               0.00004669153002
                   +1 :              -0.00044897167412
                3d
                   -2 :              -0.00006039218019
                   -1 :               0.00009441242249
                   +0 :               0.00007552726309
                   +1 :               0.00003720725080
                   +2 :              -0.00020720816403
              6 vec=    -2.593388    -10.722714      5.671791   |vec|=   12.404494
                2s
                   +0 :              -0.00017697107104
                2p
                   -1 :               0.00016331627640
                   +0 :              -0.00006635222553
                   +1 :               0.00010334016776
                3s
                   +0 :               0.00004691273122
                4s
                   +0 :              -0.00019876765734
                3p
                   -1 :              -0.00011216799601
                   +0 :               0.00010939125670
                   +1 :              -0.00075556276167
                4p
                   -1 :               0.00012151550849
                   +0 :               0.00000032033765
                   +1 :               0.00016525801168
                3d
                   -2 :               0.00020591879546
                   -1 :              -0.00015590314950
                   +0 :               0.00007262490194
                   +1 :              -0.00015101302575
                   +2 :              -0.00000504055173
              7 vec=   -10.373550     -6.230835      5.671791   |vec|=   13.364246
                2s
                   +0 :              -0.00011529949125
                2p
                   -1 :               0.00001266862073
                   +0 :              -0.00003608823033
                   +1 :              -0.00000129011838
                3s
                   +0 :               0.00036058505044
                4s
                   +0 :              -0.00009513661263
                3p
                   -1 :              -0.00016410920537
                   +0 :               0.00012731864198
                   +1 :              -0.00003578037347
                4p
                   -1 :               0.00003247120353
                   +0 :               0.00004687176157
                   +1 :               0.00002884007679
                3d
                   -2 :              -0.00001487414589
                   -1 :              -0.00000030612544
                   +0 :              -0.00005897807691
                   +1 :              -0.00003143553059
                   +2 :              -0.00010134136891
              8 vec=     5.186775     11.736681      5.671791   |vec|=   14.029310
                2s
                   +0 :               0.00042228091651
                2p
                   -1 :               0.00010151966092
                   +0 :               0.00010450486911
                   +1 :               0.00017172760219
                3s
                   +0 :              -0.00084471148362
                4s
                   +0 :               0.00011833004704
                3p
                   -1 :              -0.00016157046604
                   +0 :              -0.00041060546374
                   +1 :              -0.00042399871561
                4p
                   -1 :              -0.00006125990532
                   +0 :               0.00011147709234
                   +1 :               0.00004767162185
                3d
                   -2 :              -0.00005387287044
                   -1 :              -0.00013305248945
                   +0 :               0.00002764393977
                   +1 :              -0.00016460685773
                   +2 :              -0.00000800587312
              9 vec=    12.966938     -1.738956      5.671791   |vec|=   14.259546
                2s
                   +0 :              -0.00008336946273
                2p
                   -1 :               0.00006689761694
                   +0 :              -0.00002329257434
                   +1 :              -0.00002616008413
                3s
                   +0 :               0.00045914960492
                4s
                   +0 :              -0.00023855507221
                3p
                   -1 :              -0.00048627093276
                   +0 :               0.00007749854131
                   +1 :               0.00025762480344
                4p
                   -1 :               0.00014033502229
                   +0 :              -0.00005618077027
                   +1 :              -0.00013369340350
                3d
                   -2 :              -0.00005029463634
                   -1 :              -0.00003604357014
                   +0 :              -0.00006427514399
                   +1 :              -0.00004418913191
                   +2 :              -0.00009542260822
             10 vec=    12.966938      7.244802      5.671791   |vec|=   15.899618
                2s
                   +0 :               0.00002810758430
                2p
                   -1 :               0.00003595952130
                   +0 :              -0.00004348641106
                   +1 :               0.00000910249326
                3s
                   +0 :              -0.00005705714354
                4s
                   +0 :               0.00006277717675
                3p
                   -1 :              -0.00015725880864
                   +0 :               0.00026489375328
                   +1 :               0.00000277530177
                4p
                   -1 :               0.00005211961350
                   +0 :              -0.00008315655391
                   +1 :               0.00000942062787
                3d
                   -2 :              -0.00000926356908
                   -1 :              -0.00003096387605
                   +0 :               0.00000493870336
                   +1 :               0.00003742791521
                   +2 :               0.00002813258225
             11 vec=   -10.373550     11.736681      5.671791   |vec|=   16.659215
                2s
                   +0 :               0.00005880411216
                2p
                   -1 :               0.00003569276098
                   +0 :               0.00005719735006
                   +1 :              -0.00004943457715
                3s
                   +0 :              -0.00005768723038
                4s
                   +0 :               0.00001029021021
                3p
                   -1 :              -0.00011756606144
                   +0 :              -0.00026956506229
                   +1 :               0.00015564529398
                4p
                   -1 :               0.00001801530665
                   +0 :               0.00003957445188
                   +1 :              -0.00003460490770
                3d
                   -2 :               0.00007269216268
                   -1 :              -0.00008084340323
                   +0 :              -0.00001356126251
                   +1 :               0.00008835550398
                   +2 :              -0.00001786795876
             12 vec=     5.186775    -15.214593      5.671791   |vec|=   17.045694
                2s
                   +0 :              -0.00011590479833
                2p
                   -1 :               0.00008348171343
                   +0 :              -0.00003431346489
                   +1 :               0.00002898155864
                3s
                   +0 :               0.00031893228651
                4s
                   +0 :              -0.00014459980277
                3p
                   -1 :              -0.00040879376508
                   +0 :               0.00013702002572
                   +1 :              -0.00012422209534
                4p
                   -1 :               0.00011442330438
                   +0 :              -0.00003235771043
                   +1 :               0.00002459523220
                3d
                   -2 :               0.00001291840336
                   -1 :              -0.00009395163600
                   +0 :              -0.00000957216757
                   +1 :              -0.00001609004660
                   +2 :              -0.00006484999975
             13 vec=    -2.593388     16.228560      5.671791   |vec|=   17.385656
                2s
                   +0 :              -0.00001929831311
                2p
                   -1 :              -0.00003124409082
                   +0 :               0.00001207022409
                   +1 :               0.00001786434361
                3s
                   +0 :               0.00012765099838
                4s
                   +0 :              -0.00006986003518
                3p
                   -1 :               0.00016863234144
                   +0 :               0.00000114981574
                   +1 :              -0.00009953764497
                4p
                   -1 :              -0.00006159328483
                   +0 :              -0.00002319122618
                   +1 :               0.00002194312934
                3d
                   -2 :              -0.00000229533106
                   -1 :               0.00000871734961
                   +0 :               0.00003408504086
                   +1 :              -0.00001263059380
                   +2 :              -0.00001490114054
             14 vec=    12.966938    -10.722714      5.671791   |vec|=   17.756331
                2s
                   +0 :               0.00001494841197
                2p
                   -1 :              -0.00000164691242
                   +0 :               0.00000846574412
                   +1 :              -0.00000264344728
                3s
                   +0 :              -0.00006467958570
                4s
                   +0 :               0.00001703814346
                3p
                   -1 :               0.00002552254123
                   +0 :               0.00000012798776
                   +1 :               0.00002453506837
                4p
                   -1 :              -0.00001593798285
                   +0 :              -0.00002356137926
                   +1 :              -0.00002180756579
                3d
                   -2 :              -0.00004411879847
                   -1 :              -0.00002339565308
                   +0 :              -0.00000381757363
                   +1 :              -0.00002114241988
                   +2 :              -0.00004253510037
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Cr(  3)  npairs=  13
              1 vec=    -2.593388     -1.738956     -6.601980   |vec|=    7.303134
                3s
                   +0 :              -0.00376507503837
                3p
                   -1 :               0.00075950453736
                   +0 :               0.00230699523864
                   +1 :               0.00085886813863
                4s
                   +0 :               0.00708240677211
                5s
                   +0 :              -0.00106939249511
                3d
                   -2 :              -0.00119212126067
                   -1 :              -0.00196802472730
                   +0 :              -0.00130447750315
                   +1 :               0.00123063433502
                   +2 :               0.00187435846294
                4d
                   -2 :              -0.00004268835491
                   -1 :              -0.00056605643502
                   +0 :               0.00020956040323
                   +1 :               0.00077595427415
                   +2 :               0.00009173970172
                4p
                   -1 :               0.00064994095966
                   +0 :              -0.00200415084040
                   +1 :              -0.00258077158790
              2 vec=     5.186775      2.752923     -6.601980   |vec|=    8.835573
                3s
                   +0 :               0.00065389227731
                3p
                   -1 :               0.00028567166507
                   +0 :              -0.00025903119411
                   +1 :               0.00006113352005
                4s
                   +0 :              -0.00314810350904
                5s
                   +0 :              -0.00032311181075
                3d
                   -2 :              -0.00234749613186
                   -1 :               0.00121269458491
                   +0 :               0.00045749722954
                   +1 :               0.00170306509941
                   +2 :              -0.00021189380722
                4d
                   -2 :              -0.00018355904434
                   -1 :               0.00042453110355
                   +0 :              -0.00018979053505
                   +1 :              -0.00021084380067
                   +2 :               0.00103809913562
                4p
                   -1 :              -0.00125603391266
                   +0 :               0.00183671921401
                   +1 :              -0.00061387318364
              3 vec=    -2.593388      7.244802     -6.601980   |vec|=   10.138982
                3s
                   +0 :               0.00068431036591
                3p
                   -1 :               0.00042697084450
                   +0 :               0.00020206608548
                   +1 :               0.00014293422084
                4s
                   +0 :              -0.00305000408252
                5s
                   +0 :               0.00077187924219
                3d
                   -2 :              -0.00097425822875
                   -1 :              -0.00043129717832
                   +0 :              -0.00006385733397
                   +1 :              -0.00030705296071
                   +2 :              -0.00136254754761
                4d
                   -2 :               0.00093260947771
                   -1 :               0.00094062944559
                   +0 :               0.00020960194267
                   +1 :              -0.00017521165560
                   +2 :               0.00074524815658
                4p
                   -1 :              -0.00148416804229
                   +0 :               0.00016852776299
                   +1 :              -0.00053950118530
              4 vec=     5.186775     -6.230835     -6.601980   |vec|=   10.455242
                3s
                   +0 :              -0.00114077663868
                3p
                   -1 :               0.00020296200130
                   +0 :               0.00045056624643
                   +1 :              -0.00014661995879
                4s
                   +0 :               0.00280913855726
                5s
                   +0 :              -0.00023633085717
                3d
                   -2 :               0.00068787237747
                   -1 :              -0.00022217508321
                   +0 :              -0.00030086096333
                   +1 :              -0.00003854040312
                   +2 :               0.00045042241773
                4d
                   -2 :              -0.00017739217198
                   -1 :               0.00011600188223
                   +0 :               0.00038352448134
                   +1 :              -0.00011294369185
                   +2 :              -0.00025862072638
                4p
                   -1 :              -0.00034275142688
                   +0 :              -0.00093268644711
                   +1 :               0.00059728397984
              5 vec=   -10.373550      2.752923     -6.601980   |vec|=   12.600606
                3s
                   +0 :              -0.00033623926265
                3p
                   -1 :              -0.00006381559357
                   +0 :               0.00027891434065
                   +1 :               0.00004444847305
                4s
                   +0 :               0.00086994341564
                5s
                   +0 :              -0.00014286781703
                3d
                   -2 :               0.00004643191950
                   -1 :               0.00030938074292
                   +0 :              -0.00029471567500
                   +1 :              -0.00012848955325
                   +2 :               0.00014554071269
                4d
                   -2 :              -0.00024535284922
                   -1 :              -0.00035534353171
                   +0 :               0.00008051562435
                   +1 :               0.00037778620887
                   +2 :               0.00009707640954
                4p
                   -1 :               0.00021948990822
                   +0 :              -0.00067688336901
                   +1 :              -0.00015222102972
              6 vec=    -2.593388    -10.722714     -6.601980   |vec|=   12.856453
                3s
                   +0 :              -0.00015914644781
                3p
                   -1 :              -0.00002854280521
                   +0 :              -0.00002661032139
                   +1 :              -0.00004610908269
                4s
                   +0 :               0.00090305782585
                5s
                   +0 :              -0.00004890433543
                3d
                   -2 :               0.00003265311554
                   -1 :               0.00031080466220
                   +0 :              -0.00011262520775
                   +1 :              -0.00011848918941
                   +2 :              -0.00030652215173
                4d
                   -2 :               0.00008418913571
                   -1 :               0.00005464152374
                   +0 :               0.00006613823612
                   +1 :               0.00001875138641
                   +2 :              -0.00009457509324
                4p
                   -1 :              -0.00028128183395
                   +0 :              -0.00028674682320
                   +1 :               0.00007772141786
              7 vec=   -10.373550     -6.230835     -6.601980   |vec|=   13.784774
                3s
                   +0 :               0.00008934938830
                3p
                   -1 :              -0.00001801808147
                   +0 :              -0.00009467968599
                   +1 :              -0.00008788748655
                4s
                   +0 :               0.00020827737398
                5s
                   +0 :              -0.00015389269531
                3d
                   -2 :              -0.00004571966837
                   -1 :              -0.00015576996114
                   +0 :               0.00002978419833
                   +1 :               0.00001154302434
                   +2 :              -0.00002950515457
                4d
                   -2 :               0.00004119446020
                   -1 :              -0.00006914611998
                   +0 :              -0.00003007867120
                   +1 :               0.00009230896205
                   +2 :               0.00008521872097
                4p
                   -1 :              -0.00002187373541
                   +0 :               0.00014348684094
                   +1 :              -0.00002009380356
              8 vec=     5.186775     11.736681     -6.601980   |vec|=   14.430470
                3s
                   +0 :               0.00018854452745
                3p
                   -1 :               0.00003672073145
                   +0 :              -0.00016348428175
                   +1 :              -0.00001348613008
                4s
                   +0 :              -0.00061159522937
                5s
                   +0 :               0.00009315512322
                3d
                   -2 :               0.00007309207618
                   -1 :               0.00007185931986
                   +0 :               0.00002912307029
                   +1 :               0.00015368846629
                   +2 :              -0.00024705472128
                4d
                   -2 :              -0.00009579996965
                   -1 :               0.00011036317300
                   +0 :              -0.00002266376991
                   +1 :               0.00011301931738
                   +2 :               0.00001397316335
                4p
                   -1 :              -0.00014999811532
                   +0 :               0.00036165926791
                   +1 :              -0.00001221573643
              9 vec=    12.966938     -1.738956     -6.601980   |vec|=   14.654405
                3s
                   +0 :               0.00012881709883
                3p
                   -1 :              -0.00002849804839
                   +0 :              -0.00001048297444
                   +1 :               0.00002622770065
                4s
                   +0 :              -0.00020955835004
                5s
                   +0 :              -0.00000013185117
                3d
                   -2 :               0.00016800421123
                   -1 :              -0.00003400243164
                   +0 :              -0.00002406930846
                   +1 :              -0.00021055918072
                   +2 :               0.00007518081412
                4d
                   -2 :              -0.00004961873169
                   -1 :              -0.00005539715725
                   +0 :               0.00006510458835
                   +1 :               0.00002374646499
                   +2 :              -0.00000673033383
                4p
                   -1 :               0.00004763406364
                   +0 :               0.00000122387635
                   +1 :              -0.00005035295769
             10 vec=    12.966938      7.244802     -6.601980   |vec|=   16.254684
                3s
                   +0 :               0.00002974894550
                3p
                   -1 :               0.00005873172613
                   +0 :              -0.00002315225332
                   +1 :              -0.00000120431139
                4s
                   +0 :              -0.00003889855094
                5s
                   +0 :              -0.00000566210412
                3d
                   -2 :              -0.00004846882965
                   -1 :               0.00007728307722
                   +0 :              -0.00003525459183
                   +1 :               0.00006899814425
                   +2 :              -0.00009722722148
                4d
                   -2 :              -0.00000013474829
                   -1 :               0.00004121014521
                   +0 :              -0.00000778003260
                   +1 :               0.00002489728431
                   +2 :               0.00003076335256
                4p
                   -1 :              -0.00007079598198
                   +0 :               0.00006872474797
                   +1 :               0.00002003754149
             11 vec=   -10.373550     11.736681     -6.601980   |vec|=   16.998422
                3s
                   +0 :               0.00007167511561
                3p
                   -1 :               0.00000238263853
                   +0 :              -0.00004197068638
                   +1 :              -0.00004516663750
                4s
                   +0 :              -0.00024837873604
                5s
                   +0 :               0.00000344340241
                3d
                   -2 :               0.00014216064245
                   -1 :               0.00003044447964
                   +0 :               0.00003231708403
                   +1 :              -0.00016119389180
                   +2 :              -0.00001074696627
                4d
                   -2 :               0.00004461965700
                   -1 :               0.00004995833308
                   +0 :              -0.00001644753267
                   +1 :              -0.00003695685711
                   +2 :              -0.00003789048755
                4p
                   -1 :              -0.00003688845516
                   +0 :               0.00011236606422
                   +1 :               0.00010112920342
             12 vec=     5.186775    -15.214593     -6.601980   |vec|=   17.377359
                3s
                   +0 :              -0.00003963101284
                3p
                   -1 :              -0.00000780242623
                   +0 :               0.00001944187087
                   +1 :               0.00003384948009
                4s
                   +0 :               0.00018837920354
                5s
                   +0 :              -0.00001054854502
                3d
                   -2 :              -0.00006929315599
                   -1 :               0.00012615343930
                   +0 :              -0.00001195236088
                   +1 :               0.00006701445638
                   +2 :              -0.00009517266191
                4d
                   -2 :               0.00003112617979
                   -1 :               0.00002879482888
                   +0 :               0.00000958612521
                   +1 :               0.00000206414185
                   +2 :              -0.00001882318293
                4p
                   -1 :              -0.00000388750998
                   +0 :              -0.00006202624476
                   +1 :              -0.00003329539346
             13 vec=    -2.593388     16.228560     -6.601980   |vec|=   17.710956
                3s
                   +0 :              -0.00000762765520
                3p
                   -1 :              -0.00002246227547
                   +0 :               0.00003464080311
                   +1 :               0.00003918427906
                4s
                   +0 :              -0.00007261849910
                5s
                   +0 :               0.00001996561145
                3d
                   -2 :               0.00003665211204
                   -1 :               0.00000920577140
                   +0 :              -0.00000054296305
                   +1 :              -0.00003394113037
                   +2 :              -0.00002757837250
                4d
                   -2 :              -0.00003743464641
                   -1 :              -0.00003192826752
                   +0 :              -0.00003317220985
                   +1 :               0.00000941791812
                   +2 :              -0.00000606064398
                4p
                   -1 :               0.00001639143160
                   +0 :              -0.00006501036623
                   +1 :              -0.00009306180314
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al(  4)  npairs=  15
              1 vec=    -2.593388     -1.738956     10.693237   |vec|=   11.139791
                2s
                   +0 :              -0.00022073986780
                2p
                   -1 :               0.00011397379989
                   +0 :              -0.00011587923422
                   +1 :               0.00021376149068
                3s
                   +0 :               0.00050459927431
                4s
                   +0 :              -0.00017495865843
                3p
                   -1 :              -0.00105046617540
                   +0 :               0.00071217427262
                   +1 :              -0.00097656768308
                4p
                   -1 :               0.00017132009788
                   +0 :              -0.00029136875366
                   +1 :               0.00024033894191
                3d
                   -2 :              -0.00015422026461
                   -1 :              -0.00011817430157
                   +0 :               0.00000983506544
                   +1 :              -0.00023030045188
                   +2 :               0.00005389098823
              2 vec=     5.186775      2.752923     10.693237   |vec|=   12.199448
                2s
                   +0 :               0.00038591793345
                2p
                   -1 :              -0.00007358777332
                   +0 :               0.00014269658037
                   +1 :               0.00024802413463
                3s
                   +0 :              -0.00078069126567
                4s
                   +0 :               0.00007284051071
                3p
                   -1 :               0.00057509244882
                   +0 :              -0.00047514265932
                   +1 :              -0.00115424726092
                4p
                   -1 :              -0.00000996377973
                   +0 :              -0.00000935721854
                   +1 :               0.00012402824969
                3d
                   -2 :              -0.00004952922806
                   -1 :               0.00019322334829
                   +0 :              -0.00003248777992
                   +1 :              -0.00031807718591
                   +2 :              -0.00023901801749
              3 vec=    -2.593388      7.244802     10.693237   |vec|=   13.174146
                2s
                   +0 :              -0.00032938700708
                2p
                   -1 :              -0.00010343539817
                   +0 :              -0.00012651125951
                   +1 :               0.00018578576835
                3s
                   +0 :               0.00126880986768
                4s
                   +0 :              -0.00023182264498
                3p
                   -1 :               0.00050154312530
                   +0 :               0.00075487429463
                   +1 :              -0.00109549591008
                4p
                   -1 :               0.00002911018051
                   +0 :              -0.00009015236076
                   +1 :               0.00032745059000
                3d
                   -2 :              -0.00020651834666
                   -1 :               0.00016460814867
                   +0 :               0.00009938027832
                   +1 :              -0.00022393716567
                   +2 :               0.00002637858508
              4 vec=     5.186775     -6.230835     10.693237   |vec|=   13.419063
                2s
                   +0 :              -0.00013122156438
                2p
                   -1 :              -0.00001757367858
                   +0 :              -0.00013346821157
                   +1 :              -0.00003098503002
                3s
                   +0 :              -0.00114720385364
                4s
                   +0 :               0.00016496820770
                3p
                   -1 :               0.00084564412825
                   +0 :              -0.00053756281831
                   +1 :              -0.00071437692467
                4p
                   -1 :              -0.00021322776674
                   +0 :               0.00002934303688
                   +1 :              -0.00002100446597
                3d
                   -2 :               0.00030334843945
                   -1 :               0.00011254415739
                   +0 :              -0.00009421261895
                   +1 :              -0.00030448196190
                   +2 :              -0.00005972473857
              5 vec=    -2.593388     -1.738956    -13.854306   |vec|=   14.201810
                2s
                   +0 :              -0.00011338224791
                2p
                   -1 :               0.00002166783250
                   +0 :               0.00001788733797
                   +1 :              -0.00000160885095
                3s
                   +0 :               0.00030627422008
                4s
                   +0 :              -0.00006183374550
                3p
                   -1 :              -0.00008023031424
                   +0 :               0.00004113597116
                   +1 :               0.00003380877498
                4p
                   -1 :              -0.00002125249971
                   +0 :              -0.00005547257508
                   +1 :              -0.00002748106401
                3d
                   -2 :              -0.00000284811467
                   -1 :              -0.00001662514944
                   +0 :              -0.00005774763509
                   +1 :               0.00000844286663
                   +2 :               0.00003601743952
              6 vec=     5.186775      2.752923    -13.854306   |vec|=   15.047359
                2s
                   +0 :               0.00000583658610
                2p
                   -1 :              -0.00001548940263
                   +0 :               0.00003668221661
                   +1 :               0.00006993212416
                3s
                   +0 :               0.00001834684983
                4s
                   +0 :              -0.00002598710960
                3p
                   -1 :               0.00001984586409
                   +0 :              -0.00019991019140
                   +1 :              -0.00034828836196
                4p
                   -1 :              -0.00000176343581
                   +0 :               0.00005460805351
                   +1 :               0.00005611205897
                3d
                   -2 :              -0.00002137578863
                   -1 :              -0.00002403132905
                   +0 :               0.00003247511249
                   +1 :              -0.00002598631173
                   +2 :              -0.00003724219852
              7 vec=   -10.373550      2.752923     10.693237   |vec|=   15.150394
                2s
                   +0 :              -0.00006583914804
                2p
                   -1 :              -0.00006376837533
                   +0 :              -0.00002991423508
                   +1 :               0.00002723796988
                3s
                   +0 :               0.00053545738237
                4s
                   +0 :              -0.00019389257556
                3p
                   -1 :               0.00028504288165
                   +0 :               0.00032650817381
                   +1 :              -0.00033627502404
                4p
                   -1 :              -0.00010833802416
                   +0 :              -0.00007675054359
                   +1 :               0.00008946226596
                3d
                   -2 :              -0.00002760236265
                   -1 :               0.00003168092243
                   +0 :               0.00006902434020
                   +1 :              -0.00007440560747
                   +2 :               0.00007549134672
              8 vec=    -2.593388    -10.722714     10.693237   |vec|=   15.363840
                2s
                   +0 :              -0.00003941432208
                2p
                   -1 :               0.00002304346057
                   +0 :              -0.00005103238240
                   +1 :              -0.00000797812786
                3s
                   +0 :              -0.00003152774404
                4s
                   +0 :              -0.00004515387387
                3p
                   -1 :              -0.00009130963645
                   +0 :               0.00022235952440
                   +1 :               0.00019679813445
                4p
                   -1 :               0.00002933605204
                   +0 :              -0.00008090067681
                   +1 :              -0.00003540270647
                3d
                   -2 :              -0.00003821702761
                   -1 :              -0.00003643453209
                   +0 :              -0.00000695512037
                   +1 :               0.00002776466140
                   +2 :              -0.00004333720641
              9 vec=    -2.593388      7.244802    -13.854306   |vec|=   15.847858
                2s
                   +0 :               0.00003571043287
                2p
                   -1 :              -0.00003332983892
                   +0 :              -0.00002247192206
                   +1 :              -0.00000843446445
                3s
                   +0 :               0.00006497387173
                4s
                   +0 :               0.00000816208159
                3p
                   -1 :               0.00025191329074
                   +0 :               0.00005215667297
                   +1 :              -0.00002209143238
                4p
                   -1 :              -0.00006327389073
                   +0 :               0.00001695363006
                   +1 :              -0.00001039124580
                3d
                   -2 :              -0.00008445190096
                   -1 :              -0.00002324011341
                   +0 :              -0.00002049930001
                   +1 :              -0.00000034099911
                   +2 :               0.00000670295086
             10 vec=     5.186775     -6.230835    -13.854306   |vec|=   16.052032
                2s
                   +0 :               0.00001603677883
                2p
                   -1 :              -0.00001872229229
                   +0 :              -0.00000729655320
                   +1 :               0.00000369259355
                3s
                   +0 :              -0.00000350732624
                4s
                   +0 :               0.00003516567868
                3p
                   -1 :              -0.00004173751453
                   +0 :               0.00007457980520
                   +1 :              -0.00003674623922
                4p
                   -1 :               0.00001250943346
                   +0 :              -0.00004057108442
                   +1 :              -0.00000443365961
                3d
                   -2 :               0.00002309573067
                   -1 :               0.00000767532436
                   +0 :              -0.00004300838799
                   +1 :               0.00002319246538
                   +2 :               0.00001583502886
             11 vec=   -10.373550     -6.230835     10.693237   |vec|=   16.148658
                2s
                   +0 :              -0.00012339494590
                2p
                   -1 :               0.00004967689996
                   +0 :              -0.00002979561876
                   +1 :               0.00003811341545
                3s
                   +0 :               0.00036244785732
                4s
                   +0 :              -0.00010776230514
                3p
                   -1 :              -0.00021896784456
                   +0 :               0.00011703726411
                   +1 :              -0.00016210033684
                4p
                   -1 :               0.00005031571172
                   +0 :              -0.00002663724172
                   +1 :               0.00002274173130
                3d
                   -2 :               0.00002913470598
                   -1 :              -0.00002665899471
                   +0 :              -0.00000636711575
                   +1 :              -0.00002323844448
                   +2 :              -0.00001519410703
             12 vec=     5.186775     11.736681     10.693237   |vec|=   16.703222
                2s
                   +0 :               0.00005309351155
                2p
                   -1 :               0.00003154714610
                   +0 :               0.00006518342882
                   +1 :               0.00002567420421
                3s
                   +0 :              -0.00014102274216
                4s
                   +0 :               0.00014045766632
                3p
                   -1 :              -0.00011737588209
                   +0 :              -0.00029473091246
                   +1 :              -0.00016613414831
                4p
                   -1 :               0.00006246377031
                   +0 :               0.00011647594745
                   +1 :               0.00005347150902
                3d
                   -2 :              -0.00007242125363
                   -1 :              -0.00003043259729
                   +0 :              -0.00008355758503
                   +1 :              -0.00003619633629
                   +2 :              -0.00006903952082
             13 vec=    12.966938     -1.738956     10.693237   |vec|=   16.897064
                2s
                   +0 :              -0.00001094464728
                2p
                   -1 :              -0.00002017930364
                   +0 :              -0.00000507325394
                   +1 :              -0.00004129784178
                3s
                   +0 :               0.00001838679841
                4s
                   +0 :              -0.00001419444243
                3p
                   -1 :               0.00015469697259
                   +0 :               0.00001733668666
                   +1 :               0.00024612257064
                4p
                   -1 :              -0.00006579434305
                   +0 :              -0.00000548675644
                   +1 :              -0.00009643844035
                3d
                   -2 :               0.00003327609594
                   -1 :              -0.00001328517439
                   +0 :              -0.00002308318009
                   +1 :               0.00003199961824
                   +2 :               0.00006206243090
             14 vec=   -10.373550      2.752923    -13.854306   |vec|=   17.525151
                2s
                   +0 :              -0.00002958606706
                2p
                   -1 :               0.00000915285927
                   +0 :               0.00001297675044
                   +1 :               0.00000038861588
                3s
                   +0 :               0.00042406504092
                4s
                   +0 :              -0.00005893963732
                3p
                   -1 :               0.00008051859155
                   +0 :              -0.00011824903518
                   +1 :              -0.00018836248814
                4p
                   -1 :               0.00001442377305
                   +0 :               0.00004806161025
                   +1 :               0.00000969521764
                3d
                   -2 :              -0.00004437691516
                   -1 :              -0.00000731173275
                   +0 :              -0.00003830528062
                   +1 :               0.00001540162422
                   +2 :               0.00003097321555
             15 vec=    -2.593388    -10.722714    -13.854306   |vec|=   17.709998
                2s
                   +0 :              -0.00007829004216
                2p
                   -1 :               0.00006545549136
                   +0 :               0.00002165882863
                   +1 :               0.00000726300309
                3s
                   +0 :              -0.00000373543115
                4s
                   +0 :              -0.00002343809501
                3p
                   -1 :              -0.00014231116527
                   +0 :              -0.00005987342293
                   +1 :              -0.00000445485231
                4p
                   -1 :               0.00003703374798
                   +0 :              -0.00001218025114
                   +1 :               0.00001574337994
                3d
                   -2 :              -0.00001446942634
                   -1 :               0.00005033745248
                   +0 :               0.00001888442307
                   +1 :              -0.00001195149642
                   +2 :              -0.00001826736382
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al(  5)  npairs=  13
              1 vec=     2.593388     -1.738956      6.601898   |vec|=    7.303060
                2s
                   +0 :               0.00320930064636
                2p
                   -1 :              -0.00005521256325
                   +0 :               0.00148699564001
                   +1 :               0.00073146793493
                3s
                   +0 :              -0.01091714610665
                4s
                   +0 :               0.00419854167536
                3p
                   -1 :              -0.00487073348793
                   +0 :              -0.00444926124816
                   +1 :              -0.00591613173502
                4p
                   -1 :               0.00047340799163
                   +0 :               0.00159688058400
                   +1 :               0.00079077207058
                3d
                   -2 :              -0.00073871507425
                   -1 :              -0.00162822394016
                   +0 :               0.00037947243490
                   +1 :              -0.00062782617559
                   +2 :              -0.00042274315379
              2 vec=    -5.186775      2.752923      6.601898   |vec|=    8.835512
                2s
                   +0 :              -0.00035394328955
                2p
                   -1 :              -0.00046000089341
                   +0 :              -0.00019068862300
                   +1 :              -0.00062658104049
                3s
                   +0 :               0.00396613533787
                4s
                   +0 :               0.00100047227066
                3p
                   -1 :               0.00360464068929
                   +0 :               0.00317684732562
                   +1 :               0.00222815550832
                4p
                   -1 :              -0.00074473649580
                   +0 :               0.00026289159112
                   +1 :              -0.00193111010308
                3d
                   -2 :              -0.00117970882427
                   -1 :               0.00103541075936
                   +0 :               0.00032642530475
                   +1 :              -0.00042494232642
                   +2 :              -0.00121120854148
              3 vec=     2.593388      7.244802      6.601898   |vec|=   10.138928
                2s
                   +0 :              -0.00081944267709
                2p
                   -1 :              -0.00085475072295
                   +0 :              -0.00000131612574
                   +1 :              -0.00007419164881
                3s
                   +0 :               0.00503731522075
                4s
                   +0 :              -0.00243783854977
                3p
                   -1 :               0.00573714831924
                   +0 :               0.00109122470862
                   +1 :               0.00019973409256
                4p
                   -1 :              -0.00188613709571
                   +0 :              -0.00059740373695
                   +1 :              -0.00041734460668
                3d
                   -2 :               0.00043817237786
                   -1 :               0.00073416925810
                   +0 :              -0.00020195110041
                   +1 :              -0.00024815360138
                   +2 :              -0.00085008183037
              4 vec=    -5.186775     -6.230835      6.601898   |vec|=   10.455190
                2s
                   +0 :               0.00111096770308
                2p
                   -1 :              -0.00021505839451
                   +0 :               0.00035548672552
                   +1 :              -0.00005113815762
                3s
                   +0 :              -0.00447712603859
                4s
                   +0 :               0.00129120660931
                3p
                   -1 :               0.00099842723100
                   +0 :              -0.00173816216446
                   +1 :               0.00059552032116
                4p
                   -1 :              -0.00023761142921
                   +0 :               0.00045444615250
                   +1 :               0.00004040299448
                3d
                   -2 :              -0.00006976421197
                   -1 :              -0.00004382095600
                   +0 :              -0.00056105339102
                   +1 :               0.00013765781181
                   +2 :               0.00029361857163
              5 vec=    10.373550      2.752923      6.601898   |vec|=   12.600563
                2s
                   +0 :               0.00041412536040
                2p
                   -1 :               0.00017656500635
                   +0 :               0.00028765149034
                   +1 :               0.00005243391891
                3s
                   +0 :              -0.00190458036898
                4s
                   +0 :               0.00078196834751
                3p
                   -1 :              -0.00110587131736
                   +0 :              -0.00169540631917
                   +1 :              -0.00047900906874
                4p
                   -1 :               0.00032918900084
                   +0 :               0.00045837094611
                   +1 :               0.00010311342143
                3d
                   -2 :              -0.00011250043756
                   -1 :              -0.00022104850784
                   +0 :              -0.00012080966562
                   +1 :              -0.00025459415295
                   +2 :               0.00003495776426
              6 vec=     2.593388    -10.722714      6.601898   |vec|=   12.856411
                2s
                   +0 :               0.00024346527306
                2p
                   -1 :               0.00002908604108
                   +0 :               0.00007542743576
                   +1 :               0.00001590842464
                3s
                   +0 :              -0.00165044876331
                4s
                   +0 :               0.00026010091033
                3p
                   -1 :               0.00024982160066
                   +0 :              -0.00101286578543
                   +1 :              -0.00018827631882
                4p
                   -1 :               0.00013592807253
                   +0 :               0.00018095686471
                   +1 :               0.00015861288271
                3d
                   -2 :               0.00012761305850
                   -1 :               0.00025058418331
                   +0 :              -0.00012479818049
                   +1 :              -0.00002165923407
                   +2 :               0.00012028695289
              7 vec=    10.373550     -6.230835      6.601898   |vec|=   13.784734
                2s
                   +0 :               0.00002814566797
                2p
                   -1 :              -0.00005561379769
                   +0 :              -0.00004993595944
                   +1 :               0.00004029743379
                3s
                   +0 :              -0.00051003443062
                4s
                   +0 :               0.00032134979418
                3p
                   -1 :               0.00037431450540
                   +0 :               0.00015064323349
                   +1 :              -0.00058292327988
                4p
                   -1 :              -0.00012912910875
                   +0 :               0.00003400623749
                   +1 :               0.00026707553344
                3d
                   -2 :               0.00006753321237
                   -1 :              -0.00012721576391
                   +0 :               0.00001177555660
                   +1 :              -0.00005715545784
                   +2 :              -0.00007036463943
              8 vec=    -5.186775     11.736681      6.601898   |vec|=   14.430432
                2s
                   +0 :              -0.00020483658390
                2p
                   -1 :              -0.00003327628438
                   +0 :              -0.00016302726692
                   +1 :               0.00005229087083
                3s
                   +0 :               0.00107751518184
                4s
                   +0 :              -0.00036880098391
                3p
                   -1 :               0.00036412937428
                   +0 :               0.00089298390912
                   +1 :              -0.00040290327095
                4p
                   -1 :              -0.00010508112357
                   +0 :              -0.00018780086543
                   +1 :               0.00014452757575
                3d
                   -2 :              -0.00003641703933
                   -1 :               0.00006807996097
                   +0 :               0.00005021100743
                   +1 :              -0.00008042668143
                   +2 :              -0.00003283537065
              9 vec=   -12.966938     -1.738956      6.601898   |vec|=   14.654368
                2s
                   +0 :              -0.00005114062511
                2p
                   -1 :               0.00001754833536
                   +0 :               0.00000775442635
                   +1 :               0.00000084795448
                3s
                   +0 :               0.00008345374888
                4s
                   +0 :               0.00000024711143
                3p
                   -1 :              -0.00006751120314
                   +0 :              -0.00010109602637
                   +1 :               0.00003251389896
                4p
                   -1 :              -0.00001564049449
                   +0 :               0.00004249850382
                   +1 :              -0.00000568039435
                3d
                   -2 :              -0.00005913190735
                   -1 :              -0.00004938216837
                   +0 :              -0.00007096859317
                   +1 :              -0.00001135709396
                   +2 :              -0.00002992827368
             10 vec=   -12.966938      7.244802      6.601898   |vec|=   16.254651
                2s
                   +0 :              -0.00005339271300
                2p
                   -1 :              -0.00002043653880
                   +0 :              -0.00005076304604
                   +1 :               0.00001151827020
                3s
                   +0 :               0.00020154072325
                4s
                   +0 :              -0.00001797195091
                3p
                   -1 :               0.00007575433223
                   +0 :               0.00023241691843
                   +1 :              -0.00004231892865
                4p
                   -1 :               0.00000748383624
                   +0 :              -0.00003250367066
                   +1 :              -0.00000710210831
                3d
                   -2 :              -0.00001851918741
                   -1 :               0.00003866684525
                   +0 :               0.00000629003844
                   +1 :              -0.00004397830181
                   +2 :              -0.00003098548456
             11 vec=    10.373550     11.736681      6.601898   |vec|=   16.998390
                2s
                   +0 :              -0.00007188648966
                2p
                   -1 :              -0.00000821944622
                   +0 :              -0.00001457834778
                   +1 :              -0.00000617626440
                3s
                   +0 :               0.00045636609859
                4s
                   +0 :              -0.00008638552092
                3p
                   -1 :               0.00009267881408
                   +0 :               0.00020060223356
                   +1 :               0.00011785978380
                4p
                   -1 :              -0.00000559491254
                   +0 :              -0.00003514634203
                   +1 :               0.00000880713499
                3d
                   -2 :               0.00006355771959
                   -1 :               0.00004557618357
                   +0 :               0.00003722273151
                   +1 :               0.00004033555734
                   +2 :              -0.00002482895251
             12 vec=    -5.186775    -15.214593      6.601898   |vec|=   17.377328
                2s
                   +0 :               0.00004382360392
                2p
                   -1 :               0.00001326423977
                   +0 :               0.00001585216649
                   +1 :               0.00002370695798
                3s
                   +0 :              -0.00031202497349
                4s
                   +0 :               0.00005935502775
                3p
                   -1 :              -0.00000094054965
                   +0 :              -0.00015526215471
                   +1 :              -0.00012254848374
                4p
                   -1 :               0.00001847754427
                   +0 :               0.00002572600996
                   +1 :               0.00004345370508
                3d
                   -2 :               0.00003110018982
                   -1 :               0.00002805404471
                   +0 :              -0.00001203517348
                   +1 :              -0.00000674187422
                   +2 :               0.00002355691667
             13 vec=     2.593388     16.228560      6.601898   |vec|=   17.710925
                2s
                   +0 :              -0.00004462229655
                2p
                   -1 :              -0.00000624531693
                   +0 :               0.00000682071000
                   +1 :               0.00002907732687
                3s
                   +0 :               0.00024660794011
                4s
                   +0 :              -0.00008729860165
                3p
                   -1 :               0.00007298608862
                   +0 :              -0.00000155306568
                   +1 :              -0.00017803067424
                4p
                   -1 :              -0.00002435601661
                   +0 :              -0.00000888117381
                   +1 :               0.00006204575007
                3d
                   -2 :               0.00000905177935
                   -1 :              -0.00003239338987
                   +0 :               0.00002332984253
                   +1 :              -0.00001598803677
                   +2 :              -0.00001096064470
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al(  6)  npairs=  15
              1 vec=     2.593388     -1.738956    -10.693319   |vec|=   11.139869
                2s
                   +0 :              -0.00053027278893
                2p
                   -1 :               0.00017513922223
                   +0 :               0.00026649419142
                   +1 :              -0.00016220999105
                3s
                   +0 :               0.00175641846763
                4s
                   +0 :              -0.00066592699491
                3p
                   -1 :              -0.00140443946201
                   +0 :              -0.00151070251344
                   +1 :               0.00075419559040
                4p
                   -1 :               0.00027734183925
                   +0 :               0.00051097011305
                   +1 :              -0.00019381138850
                3d
                   -2 :               0.00015783532244
                   -1 :               0.00021948857925
                   +0 :               0.00020084471767
                   +1 :              -0.00012706788055
                   +2 :               0.00006298120427
              2 vec=    -5.186775      2.752923    -10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00014078504650
                2p
                   -1 :              -0.00007376111661
                   +0 :              -0.00007032489338
                   +1 :              -0.00017953309036
                3s
                   +0 :               0.00013063048796
                4s
                   +0 :               0.00015299961184
                3p
                   -1 :               0.00070603610742
                   +0 :               0.00011782963063
                   +1 :               0.00107240949437
                4p
                   -1 :              -0.00001355032354
                   +0 :              -0.00004345209613
                   +1 :              -0.00016102201766
                3d
                   -2 :               0.00019754667493
                   -1 :              -0.00019346183586
                   +0 :               0.00002893134343
                   +1 :              -0.00030171686363
                   +2 :              -0.00007400913833
              3 vec=     2.593388      7.244802    -10.693319   |vec|=   13.174213
                2s
                   +0 :               0.00006639049950
                2p
                   -1 :               0.00002667260280
                   +0 :              -0.00003385967894
                   +1 :              -0.00001639942373
                3s
                   +0 :               0.00014074599391
                4s
                   +0 :               0.00013498889960
                3p
                   -1 :               0.00006574427253
                   +0 :              -0.00004570598344
                   +1 :               0.00018724314551
                4p
                   -1 :               0.00009185027804
                   +0 :              -0.00007713168156
                   +1 :              -0.00006553192093
                3d
                   -2 :               0.00005141048112
                   -1 :              -0.00010228619178
                   +0 :              -0.00000309303245
                   +1 :              -0.00007030921978
                   +2 :               0.00007285200404
              4 vec=    -5.186775     -6.230835    -10.693319   |vec|=   13.419128
                2s
                   +0 :               0.00025668120703
                2p
                   -1 :              -0.00011524786453
                   +0 :              -0.00002868503506
                   +1 :              -0.00013005597655
                3s
                   +0 :              -0.00238295346471
                4s
                   +0 :               0.00059166572686
                3p
                   -1 :               0.00109795523925
                   +0 :               0.00124997325537
                   +1 :               0.00138299985162
                4p
                   -1 :              -0.00031954940441
                   +0 :              -0.00022930361148
                   +1 :              -0.00015357644012
                3d
                   -2 :              -0.00021765814134
                   -1 :              -0.00014544409403
                   +0 :              -0.00016694753428
                   +1 :              -0.00044973371517
                   +2 :              -0.00013145028067
              5 vec=     2.593388     -1.738956     13.854224   |vec|=   14.201730
                2s
                   +0 :              -0.00010731428505
                2p
                   -1 :               0.00004296088195
                   +0 :              -0.00004776318276
                   +1 :              -0.00000111868666
                3s
                   +0 :               0.00027107777549
                4s
                   +0 :              -0.00005570576415
                3p
                   -1 :              -0.00014089071817
                   +0 :               0.00021062001796
                   +1 :              -0.00003705647318
                4p
                   -1 :               0.00000973083583
                   +0 :              -0.00004186627185
                   +1 :               0.00003777975066
                3d
                   -2 :              -0.00001372642868
                   -1 :               0.00001368967210
                   +0 :               0.00000665996197
                   +1 :              -0.00000291251273
                   +2 :               0.00000869256580
              6 vec=    -5.186775      2.752923     13.854224   |vec|=   15.047283
                2s
                   +0 :               0.00000955848478
                2p
                   -1 :               0.00001359691868
                   +0 :              -0.00004042512747
                   +1 :              -0.00007063010975
                3s
                   +0 :              -0.00002695237266
                4s
                   +0 :              -0.00003369202621
                3p
                   -1 :              -0.00009207637691
                   +0 :               0.00022163589759
                   +1 :               0.00040711001532
                4p
                   -1 :               0.00000048485944
                   +0 :              -0.00007254769861
                   +1 :              -0.00006633031692
                3d
                   -2 :               0.00004465801117
                   -1 :               0.00000293056669
                   +0 :               0.00004165844308
                   +1 :              -0.00002270236911
                   +2 :              -0.00001493428734
              7 vec=    10.373550      2.752923    -10.693319   |vec|=   15.150452
                2s
                   +0 :               0.00005801811445
                2p
                   -1 :               0.00001697153384
                   +0 :              -0.00003363448982
                   +1 :              -0.00000799255771
                3s
                   +0 :              -0.00047440483373
                4s
                   +0 :               0.00011197351250
                3p
                   -1 :               0.00005864865739
                   +0 :               0.00034286178804
                   +1 :              -0.00001229956005
                4p
                   -1 :              -0.00000311204304
                   +0 :              -0.00008307923336
                   +1 :               0.00001454096500
                3d
                   -2 :              -0.00003264074969
                   -1 :              -0.00008563114775
                   +0 :              -0.00009598264624
                   +1 :               0.00002802547335
                   +2 :               0.00004978954946
              8 vec=     2.593388    -10.722714    -10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00000678921562
                2p
                   -1 :               0.00000604597818
                   +0 :               0.00003775132634
                   +1 :               0.00002191932330
                3s
                   +0 :              -0.00029272195270
                4s
                   +0 :               0.00000027361915
                3p
                   -1 :               0.00003566606596
                   +0 :              -0.00008451424866
                   +1 :              -0.00023317738797
                4p
                   -1 :              -0.00000373777427
                   +0 :               0.00006245796088
                   +1 :               0.00004005007304
                3d
                   -2 :               0.00003563544760
                   -1 :               0.00001209121926
                   +0 :              -0.00001869707588
                   +1 :               0.00003898470073
                   +2 :              -0.00003971218246
              9 vec=     2.593388      7.244802     13.854224   |vec|=   15.847786
                2s
                   +0 :               0.00007518233758
                2p
                   -1 :               0.00001596346377
                   +0 :               0.00002915540939
                   +1 :               0.00001571792152
                3s
                   +0 :              -0.00016385943362
                4s
                   +0 :               0.00003931460933
                3p
                   -1 :              -0.00001211099669
                   +0 :              -0.00008681847962
                   +1 :              -0.00003264722405
                4p
                   -1 :              -0.00001856444999
                   +0 :               0.00000499141081
                   +1 :               0.00002966710804
                3d
                   -2 :               0.00001245997436
                   -1 :               0.00002171761309
                   +0 :              -0.00000378309332
                   +1 :               0.00002035939898
                   +2 :               0.00005326702566
             10 vec=    -5.186775     -6.230835     13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00002171067343
                2p
                   -1 :              -0.00000989832924
                   +0 :              -0.00000306892422
                   +1 :              -0.00001227198620
                3s
                   +0 :               0.00003105099612
                4s
                   +0 :               0.00004276121657
                3p
                   -1 :              -0.00011327337162
                   +0 :               0.00000870447280
                   +1 :               0.00005757126568
                4p
                   -1 :               0.00001815188863
                   +0 :               0.00001171102963
                   +1 :              -0.00000376166269
                3d
                   -2 :              -0.00002799661222
                   -1 :              -0.00002687454432
                   +0 :              -0.00004399515428
                   +1 :               0.00002606663297
                   +2 :               0.00000686774787
             11 vec=    10.373550     -6.230835    -10.693319   |vec|=   16.148712
                2s
                   +0 :              -0.00002051778811
                2p
                   -1 :               0.00001532684602
                   +0 :               0.00000170910854
                   +1 :               0.00000711460092
                3s
                   +0 :               0.00011159047821
                4s
                   +0 :              -0.00002912794802
                3p
                   -1 :              -0.00011091847803
                   +0 :              -0.00003037322891
                   +1 :              -0.00000334586393
                4p
                   -1 :               0.00002250084433
                   +0 :              -0.00000031364121
                   +1 :               0.00001446621043
                3d
                   -2 :              -0.00000868389893
                   -1 :               0.00002510416718
                   +0 :              -0.00000558266408
                   +1 :               0.00000309473809
                   +2 :              -0.00001872486861
             12 vec=    -5.186775     11.736681    -10.693319   |vec|=   16.703274
                2s
                   +0 :              -0.00007898983062
                2p
                   -1 :              -0.00000653503268
                   +0 :               0.00001167984277
                   +1 :               0.00008842859366
                3s
                   +0 :               0.00058042693914
                4s
                   +0 :              -0.00028116012325
                3p
                   -1 :               0.00015318436091
                   +0 :              -0.00019570732409
                   +1 :              -0.00050953929384
                4p
                   -1 :              -0.00009153286606
                   +0 :               0.00009164856150
                   +1 :               0.00015617167992
                3d
                   -2 :              -0.00008745334121
                   -1 :              -0.00001615755359
                   +0 :               0.00000142291737
                   +1 :               0.00004953793537
                   +2 :              -0.00001479374803
             13 vec=   -12.966938     -1.738956    -10.693319   |vec|=   16.897115
                2s
                   +0 :               0.00001523140103
                2p
                   -1 :              -0.00003753315228
                   +0 :              -0.00000353335246
                   +1 :              -0.00000203468661
                3s
                   +0 :               0.00002530271363
                4s
                   +0 :              -0.00003684314203
                3p
                   -1 :               0.00019434235966
                   +0 :              -0.00002999908524
                   +1 :              -0.00004817841538
                4p
                   -1 :              -0.00006022565088
                   +0 :               0.00001365441246
                   +1 :               0.00005787853357
                3d
                   -2 :              -0.00002794446354
                   -1 :              -0.00002507930820
                   +0 :               0.00000353172059
                   +1 :               0.00000124628140
                   +2 :               0.00001302034409
             14 vec=    10.373550      2.752923     13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00004389169463
                2p
                   -1 :               0.00001670046314
                   +0 :              -0.00000120720396
                   +1 :               0.00002302764551
                3s
                   +0 :              -0.00000365158402
                4s
                   +0 :               0.00001372559858
                3p
                   -1 :              -0.00002444081872
                   +0 :               0.00007727252170
                   +1 :              -0.00000299239166
                4p
                   -1 :               0.00002599125906
                   +0 :              -0.00003928500963
                   +1 :               0.00001487550511
                3d
                   -2 :               0.00001254490623
                   -1 :               0.00000757397792
                   +0 :               0.00000034276071
                   +1 :              -0.00000192158257
                   +2 :               0.00003063773635
             15 vec=     2.593388    -10.722714     13.854224   |vec|=   17.709934
                2s
                   +0 :              -0.00002550673979
                2p
                   -1 :               0.00002468208427
                   +0 :              -0.00002066872571
                   +1 :              -0.00000057381411
                3s
                   +0 :              -0.00004735982386
                4s
                   +0 :              -0.00000389303326
                3p
                   -1 :              -0.00000265854918
                   +0 :               0.00006110815545
                   +1 :              -0.00002846743746
                4p
                   -1 :               0.00001320643809
                   +0 :              -0.00001482802853
                   +1 :              -0.00000843464567
                3d
                   -2 :               0.00002542649361
                   -1 :              -0.00001578687596
                   +0 :               0.00003178360510
                   +1 :              -0.00002056827249
                   +2 :               0.00000259842171
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al(  7)  npairs=  14
              1 vec=     2.593388     -1.738956      1.580453   |vec|=    3.499637
                2s
                   +0 :              -0.02411461454175
                2p
                   -1 :               0.00690609875919
                   +0 :              -0.01574015261255
                   +1 :              -0.02330492579327
                3s
                   +0 :              -0.06812049583193
                4s
                   +0 :              -0.00515784355455
                3p
                   -1 :               0.00300223426696
                   +0 :              -0.02827431080906
                   +1 :              -0.05269785355050
                4p
                   -1 :               0.00328276569638
                   +0 :              -0.00716119006512
                   +1 :              -0.01151090570706
                3d
                   -2 :               0.01117438015911
                   -1 :               0.00600041808956
                   +0 :              -0.00080780924439
                   +1 :              -0.03658549973083
                   +2 :              -0.03450799802212
              2 vec=    -5.186775      2.752923      1.580453   |vec|=    6.081040
                2s
                   +0 :              -0.00285938062811
                2p
                   -1 :              -0.00109441053686
                   +0 :              -0.00004682667788
                   +1 :               0.00288202101034
                3s
                   +0 :               0.00733647131192
                4s
                   +0 :              -0.00437713041941
                3p
                   -1 :               0.00372681516256
                   +0 :              -0.00129546025791
                   +1 :              -0.00875155055741
                4p
                   -1 :              -0.00081330962636
                   +0 :               0.00035638958503
                   +1 :               0.00380733033082
                3d
                   -2 :              -0.00182953712156
                   -1 :               0.00047095084419
                   +0 :              -0.00132146530616
                   +1 :              -0.00016420087934
                   +2 :              -0.00243067789619
              3 vec=     2.593388      7.244802      1.580453   |vec|=    7.855612
                2s
                   +0 :              -0.00013175760572
                2p
                   -1 :              -0.00049650779914
                   +0 :               0.00011627447276
                   +1 :              -0.00047741715986
                3s
                   +0 :               0.01274599031611
                4s
                   +0 :              -0.00017572518913
                3p
                   -1 :               0.00683619746430
                   +0 :               0.00786058237947
                   +1 :              -0.00375496365056
                4p
                   -1 :              -0.00013710870639
                   +0 :              -0.00023390262817
                   +1 :              -0.00023003813859
                3d
                   -2 :              -0.00284244714484
                   -1 :               0.00302202825349
                   +0 :               0.00107266219964
                   +1 :              -0.00084621728041
                   +2 :              -0.00162640387458
              4 vec=    -5.186775     -6.230835      1.580453   |vec|=    8.259768
                2s
                   +0 :               0.00031344812140
                2p
                   -1 :               0.00089803797837
                   +0 :               0.00004975492900
                   +1 :              -0.00004414517465
                3s
                   +0 :              -0.00804113569665
                4s
                   +0 :               0.00088608042935
                3p
                   -1 :              -0.00655678236220
                   +0 :              -0.00574007899498
                   +1 :               0.00558340636959
                4p
                   -1 :               0.00109945802164
                   +0 :               0.00057066435815
                   +1 :              -0.00021843056040
                3d
                   -2 :               0.00184070778160
                   -1 :              -0.00070734875269
                   +0 :              -0.00096295819499
                   +1 :               0.00326192588859
                   +2 :              -0.00230667583485
              5 vec=    10.373550      2.752923      1.580453   |vec|=   10.848362
                2s
                   +0 :               0.00006424861666
                2p
                   -1 :               0.00015338593738
                   +0 :              -0.00020115391891
                   +1 :               0.00010809658385
                3s
                   +0 :               0.00136141427498
                4s
                   +0 :              -0.00013829284146
                3p
                   -1 :              -0.00130219809653
                   +0 :               0.00125152984893
                   +1 :               0.00055579317367
                4p
                   -1 :               0.00005687031775
                   +0 :              -0.00008473958937
                   +1 :              -0.00003698372416
                3d
                   -2 :              -0.00030314516689
                   -1 :              -0.00025770900817
                   +0 :               0.00000389454140
                   +1 :               0.00026260629642
                   +2 :              -0.00034229957408
              6 vec=     2.593388    -10.722714      1.580453   |vec|=   11.144509
                2s
                   +0 :               0.00046244067342
                2p
                   -1 :              -0.00025413502573
                   +0 :               0.00001168438335
                   +1 :              -0.00017773340754
                3s
                   +0 :              -0.00344100114233
                4s
                   +0 :               0.00108908543240
                3p
                   -1 :               0.00273471409888
                   +0 :              -0.00086490046751
                   +1 :               0.00028968209090
                4p
                   -1 :              -0.00064591288701
                   +0 :               0.00014080921203
                   +1 :              -0.00026670618752
                3d
                   -2 :              -0.00033901820535
                   -1 :               0.00041534127555
                   +0 :               0.00010650847202
                   +1 :              -0.00023365654291
                   +2 :               0.00059062134303
              7 vec=    10.373550     -6.230835      1.580453   |vec|=   12.203757
                2s
                   +0 :               0.00021493527515
                2p
                   -1 :              -0.00010073622097
                   +0 :               0.00016533490994
                   +1 :               0.00013840413900
                3s
                   +0 :              -0.00055873316889
                4s
                   +0 :               0.00006497686397
                3p
                   -1 :               0.00067954037962
                   +0 :              -0.00079363190960
                   +1 :              -0.00052710671497
                4p
                   -1 :              -0.00016359626428
                   +0 :               0.00011256239251
                   +1 :               0.00012111002367
                3d
                   -2 :               0.00025689211970
                   -1 :               0.00003692696272
                   +0 :               0.00011112847647
                   +1 :              -0.00012514434186
                   +2 :               0.00013690850544
              8 vec=    -5.186775     11.736681      1.580453   |vec|=   12.928656
                2s
                   +0 :              -0.00025538228085
                2p
                   -1 :               0.00022749681277
                   +0 :               0.00015077633452
                   +1 :               0.00005327983573
                3s
                   +0 :               0.00242412512624
                4s
                   +0 :              -0.00029390906579
                3p
                   -1 :               0.00009243433439
                   +0 :               0.00084074432320
                   +1 :               0.00069219081043
                4p
                   -1 :               0.00025250455621
                   +0 :              -0.00003163900246
                   +1 :               0.00005038954237
                3d
                   -2 :               0.00055817580219
                   -1 :               0.00051699075146
                   +0 :               0.00020540198662
                   +1 :               0.00043638601483
                   +2 :               0.00013916262980
              9 vec=   -12.966938     -1.738956      1.580453   |vec|=   13.178136
                2s
                   +0 :               0.00024959839806
                2p
                   -1 :               0.00003668897016
                   +0 :               0.00006907170788
                   +1 :              -0.00003578997418
                3s
                   +0 :              -0.00117390990213
                4s
                   +0 :               0.00011850297774
                3p
                   -1 :               0.00008811886066
                   +0 :              -0.00075901885002
                   +1 :               0.00031213766611
                4p
                   -1 :               0.00005604239979
                   +0 :               0.00018280208539
                   +1 :               0.00007517184450
                3d
                   -2 :              -0.00005749415850
                   -1 :               0.00016936241776
                   +0 :              -0.00010066055301
                   +1 :               0.00031335302867
                   +2 :               0.00005416561606
             10 vec=   -12.966938      7.244802      1.580453   |vec|=   14.937418
                2s
                   +0 :              -0.00014979314642
                2p
                   -1 :              -0.00004859484750
                   +0 :               0.00001296680361
                   +1 :               0.00005460218884
                3s
                   +0 :               0.00083699887301
                4s
                   +0 :              -0.00029577624842
                3p
                   -1 :               0.00019594373868
                   +0 :               0.00005636624961
                   +1 :              -0.00054177118958
                4p
                   -1 :              -0.00009431489945
                   +0 :               0.00001968049134
                   +1 :               0.00015119221716
                3d
                   -2 :              -0.00003266940938
                   -1 :              -0.00005015799286
                   +0 :               0.00002348373602
                   +1 :              -0.00006172852745
                   +2 :               0.00001900784139
             11 vec=    10.373550     11.736681      1.580453   |vec|=   15.743508
                2s
                   +0 :              -0.00013619620448
                2p
                   -1 :              -0.00008379245012
                   +0 :              -0.00004726015076
                   +1 :              -0.00004530947091
                3s
                   +0 :               0.00044766676746
                4s
                   +0 :              -0.00018558725748
                3p
                   -1 :               0.00034392966125
                   +0 :               0.00031564905726
                   +1 :               0.00031146403954
                4p
                   -1 :              -0.00006892646608
                   +0 :              -0.00008789387101
                   +1 :              -0.00008380707622
                3d
                   -2 :               0.00010331419616
                   -1 :               0.00006135867405
                   +0 :              -0.00008534250818
                   +1 :               0.00008523185188
                   +2 :               0.00005883595448
             12 vec=    -5.186775    -15.214593      1.580453   |vec|=   16.151913
                2s
                   +0 :               0.00006103993686
                2p
                   -1 :               0.00001945150277
                   +0 :              -0.00001236016779
                   +1 :              -0.00002622232095
                3s
                   +0 :              -0.00025699674922
                4s
                   +0 :              -0.00002230507102
                3p
                   -1 :              -0.00025004383684
                   +0 :              -0.00000342166772
                   +1 :               0.00018332639180
                4p
                   -1 :               0.00013086110926
                   +0 :              -0.00001958767874
                   +1 :              -0.00004307129335
                3d
                   -2 :              -0.00007019235676
                   -1 :              -0.00000360696054
                   +0 :               0.00001742244625
                   +1 :               0.00004696250556
                   +2 :              -0.00006192818423
             13 vec=     2.593388     16.228560      1.580453   |vec|=   16.510289
                2s
                   +0 :              -0.00007432752409
                2p
                   -1 :              -0.00001909629593
                   +0 :              -0.00002287812133
                   +1 :               0.00002288611634
                3s
                   +0 :               0.00037611947691
                4s
                   +0 :              -0.00006363465970
                3p
                   -1 :               0.00010191945860
                   +0 :               0.00021138795260
                   +1 :              -0.00011282513923
                4p
                   -1 :              -0.00001081376261
                   +0 :              -0.00002236571779
                   +1 :               0.00001497886871
                3d
                   -2 :              -0.00001319584065
                   -1 :               0.00008369362833
                   +0 :               0.00001936862142
                   +1 :              -0.00004990954735
                   +2 :              -0.00000009495753
             14 vec=   -12.966938    -10.722714      1.580453   |vec|=   16.900175
                2s
                   +0 :              -0.00001148320666
                2p
                   -1 :              -0.00001394636443
                   +0 :              -0.00001550963510
                   +1 :               0.00000712878000
                3s
                   +0 :              -0.00015754245720
                4s
                   +0 :               0.00006794795504
                3p
                   -1 :               0.00016762444300
                   +0 :               0.00000833067820
                   +1 :               0.00006530836573
                4p
                   -1 :              -0.00003205472775
                   +0 :              -0.00001470969148
                   +1 :              -0.00004856270151
                3d
                   -2 :              -0.00003026984092
                   -1 :               0.00003128003807
                   +0 :              -0.00000157783230
                   +1 :              -0.00001319558348
                   +2 :               0.00001604787022
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al(  8)  npairs=  14
              1 vec=     2.593388     -1.738956     -5.671873   |vec|=    6.474548
                2s
                   +0 :               0.00113037267644
                2p
                   -1 :               0.00016684647359
                   +0 :              -0.00079783128393
                   +1 :               0.00069841711122
                3s
                   +0 :              -0.00318763998386
                4s
                   +0 :               0.00132929183047
                3p
                   -1 :              -0.00184973291186
                   +0 :               0.00426340097306
                   +1 :              -0.00296012673280
                4p
                   -1 :               0.00070749913222
                   +0 :              -0.00166734147286
                   +1 :               0.00020623252935
                3d
                   -2 :               0.00103561619165
                   -1 :              -0.00182878401626
                   +0 :              -0.00138969800873
                   +1 :              -0.00028386140129
                   +2 :               0.00075245627724
              2 vec=    -5.186775      2.752923     -5.671873   |vec|=    8.164029
                2s
                   +0 :              -0.00021218715356
                2p
                   -1 :              -0.00043939850543
                   +0 :               0.00065737610950
                   +1 :              -0.00030776579645
                3s
                   +0 :               0.00238799603917
                4s
                   +0 :               0.00046293893355
                3p
                   -1 :               0.00386012837844
                   +0 :              -0.00239425161937
                   +1 :               0.00167027092761
                4p
                   -1 :              -0.00059989112393
                   +0 :               0.00067705500630
                   +1 :              -0.00081728577959
                3d
                   -2 :              -0.00112431700338
                   -1 :              -0.00118850916390
                   +0 :              -0.00052715553669
                   +1 :              -0.00014562299043
                   +2 :              -0.00116475792737
              3 vec=     2.593388      7.244802     -5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00036932723616
                2p
                   -1 :              -0.00077890914287
                   +0 :              -0.00017095801672
                   +1 :               0.00041043532944
                3s
                   +0 :               0.00003731782934
                4s
                   +0 :              -0.00029337463650
                3p
                   -1 :               0.00448552808948
                   +0 :               0.00012382769896
                   +1 :              -0.00234669351361
                4p
                   -1 :              -0.00115586633623
                   +0 :               0.00003880516920
                   +1 :               0.00032988088431
                3d
                   -2 :               0.00050058192285
                   -1 :              -0.00080650465366
                   +0 :               0.00033358138763
                   +1 :               0.00046618297312
                   +2 :              -0.00066796509217
              4 vec=    -5.186775     -6.230835     -5.671873   |vec|=    9.894245
                2s
                   +0 :              -0.00191122206399
                2p
                   -1 :               0.00133042561132
                   +0 :               0.00015734494065
                   +1 :              -0.00023244479813
                3s
                   +0 :               0.00493700264140
                4s
                   +0 :              -0.00139184486120
                3p
                   -1 :              -0.00589331053167
                   +0 :               0.00052097868285
                   +1 :               0.00135640237471
                4p
                   -1 :               0.00125151816361
                   +0 :              -0.00065767126742
                   +1 :              -0.00014719140771
                3d
                   -2 :              -0.00026342536682
                   -1 :               0.00047020147638
                   +0 :              -0.00057323220967
                   +1 :              -0.00024288247584
                   +2 :              -0.00108607000186
              5 vec=    10.373550      2.752923     -5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00016364692241
                2p
                   -1 :              -0.00007495207597
                   +0 :              -0.00006380669625
                   +1 :               0.00011954781101
                3s
                   +0 :              -0.00028642400834
                4s
                   +0 :               0.00001393934479
                3p
                   -1 :               0.00054920727566
                   +0 :               0.00002387316599
                   +1 :              -0.00038477158308
                4p
                   -1 :              -0.00012828070354
                   +0 :              -0.00008291476828
                   +1 :               0.00006888377271
                3d
                   -2 :               0.00009711100693
                   -1 :               0.00001489336067
                   +0 :              -0.00001806617175
                   +1 :               0.00008027961007
                   +2 :              -0.00009520656995
              6 vec=     2.593388    -10.722714     -5.671873   |vec|=   12.404532
                2s
                   +0 :              -0.00019660443285
                2p
                   -1 :               0.00020621404067
                   +0 :               0.00004190083648
                   +1 :              -0.00009708739246
                3s
                   +0 :              -0.00000723610366
                4s
                   +0 :              -0.00016495819302
                3p
                   -1 :              -0.00032446230623
                   +0 :              -0.00008309959907
                   +1 :               0.00059885698450
                4p
                   -1 :               0.00015512413414
                   +0 :              -0.00004289111366
                   +1 :              -0.00012573232085
                3d
                   -2 :              -0.00022578970486
                   -1 :               0.00017337665190
                   +0 :               0.00006129231569
                   +1 :              -0.00017903508821
                   +2 :              -0.00005350224379
              7 vec=    10.373550     -6.230835     -5.671873   |vec|=   13.364281
                2s
                   +0 :              -0.00011931652294
                2p
                   -1 :               0.00000228445805
                   +0 :               0.00001621946506
                   +1 :               0.00000460855125
                3s
                   +0 :               0.00037917069912
                4s
                   +0 :              -0.00002801833024
                3p
                   -1 :              -0.00013872033651
                   +0 :              -0.00006428581977
                   +1 :              -0.00009534126710
                4p
                   -1 :               0.00001199520818
                   +0 :              -0.00005281127734
                   +1 :               0.00004508559066
                3d
                   -2 :              -0.00000074937726
                   -1 :              -0.00002440117137
                   +0 :              -0.00003083249410
                   +1 :              -0.00002975082088
                   +2 :              -0.00009727909612
              8 vec=    -5.186775     11.736681     -5.671873   |vec|=   14.029343
                2s
                   +0 :               0.00026426345033
                2p
                   -1 :               0.00008641020170
                   +0 :              -0.00011863104347
                   +1 :              -0.00017243264715
                3s
                   +0 :              -0.00075976482428
                4s
                   +0 :               0.00037093652824
                3p
                   -1 :              -0.00051356898230
                   +0 :               0.00032397599306
                   +1 :               0.00064448066105
                4p
                   -1 :               0.00022291705341
                   +0 :              -0.00000446182626
                   +1 :              -0.00021576144915
                3d
                   -2 :               0.00006443285706
                   -1 :               0.00020673007322
                   +0 :               0.00000169421478
                   +1 :              -0.00016838833757
                   +2 :              -0.00004263782300
              9 vec=   -12.966938     -1.738956     -5.671873   |vec|=   14.259579
                2s
                   +0 :              -0.00008172580119
                2p
                   -1 :               0.00001392189307
                   +0 :               0.00001432996010
                   +1 :               0.00003031905629
                3s
                   +0 :               0.00036126970237
                4s
                   +0 :              -0.00011288736465
                3p
                   -1 :              -0.00016979749988
                   +0 :               0.00004564901106
                   +1 :              -0.00021139413370
                4p
                   -1 :               0.00002379609326
                   +0 :               0.00005220130046
                   +1 :               0.00008295133678
                3d
                   -2 :               0.00001540294835
                   -1 :               0.00002086292974
                   +0 :              -0.00005498721080
                   +1 :              -0.00003816942504
                   +2 :              -0.00006011503797
             10 vec=   -12.966938      7.244802     -5.671873   |vec|=   15.899647
                2s
                   +0 :               0.00002867305539
                2p
                   -1 :               0.00004653348658
                   +0 :               0.00000066904068
                   +1 :              -0.00001446042912
                3s
                   +0 :               0.00002270672199
                4s
                   +0 :              -0.00001400954721
                3p
                   -1 :              -0.00021808118638
                   +0 :              -0.00002707819099
                   +1 :               0.00001413520458
                4p
                   -1 :               0.00005379339689
                   +0 :               0.00001388009240
                   +1 :              -0.00000478187212
                3d
                   -2 :               0.00004391706629
                   -1 :               0.00000168272421
                   +0 :               0.00004189524275
                   +1 :               0.00000665172326
                   +2 :               0.00002043000450
             11 vec=    10.373550     11.736681     -5.671873   |vec|=   16.659243
                2s
                   +0 :               0.00009769627737
                2p
                   -1 :               0.00005143230874
                   +0 :              -0.00000884415852
                   +1 :               0.00004462236889
                3s
                   +0 :              -0.00023944756008
                4s
                   +0 :               0.00007256834546
                3p
                   -1 :              -0.00021744210624
                   +0 :              -0.00001077560448
                   +1 :              -0.00012080358920
                4p
                   -1 :               0.00003633420659
                   +0 :               0.00001802253969
                   +1 :               0.00003617928166
                3d
                   -2 :              -0.00006001828354
                   -1 :               0.00004929960102
                   +0 :              -0.00003600801583
                   +1 :               0.00007177939333
                   +2 :               0.00001172795083
             12 vec=    -5.186775    -15.214593     -5.671873   |vec|=   17.045722
                2s
                   +0 :              -0.00009069222150
                2p
                   -1 :               0.00007378098894
                   +0 :               0.00003935185962
                   +1 :              -0.00001693098273
                3s
                   +0 :               0.00018951167563
                4s
                   +0 :              -0.00010398561632
                3p
                   -1 :              -0.00030827072950
                   +0 :              -0.00016920269742
                   +1 :               0.00006448834127
                4p
                   -1 :               0.00008713876920
                   +0 :               0.00003540489679
                   +1 :              -0.00000387310299
                3d
                   -2 :              -0.00002914885136
                   -1 :               0.00011593678070
                   +0 :               0.00001286001916
                   +1 :              -0.00001990523367
                   +2 :              -0.00004996960658
             13 vec=     2.593388     16.228560     -5.671873   |vec|=   17.385683
                2s
                   +0 :              -0.00001452750500
                2p
                   -1 :              -0.00003029852097
                   +0 :               0.00000215793444
                   +1 :              -0.00001279351231
                3s
                   +0 :               0.00014882547833
                4s
                   +0 :              -0.00007257669287
                3p
                   -1 :               0.00019100982032
                   +0 :              -0.00006798064365
                   +1 :               0.00007076663887
                4p
                   -1 :              -0.00007308865462
                   +0 :               0.00003067027646
                   +1 :              -0.00001104362290
                3d
                   -2 :               0.00001793124870
                   -1 :              -0.00002182124600
                   +0 :               0.00002932181043
                   +1 :              -0.00000899017807
                   +2 :              -0.00001448353092
             14 vec=   -12.966938    -10.722714     -5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00003403595944
                2p
                   -1 :              -0.00000221552636
                   +0 :               0.00000044607046
                   +1 :               0.00000066720710
                3s
                   +0 :              -0.00011934689477
                4s
                   +0 :              -0.00001182057291
                3p
                   -1 :              -0.00001282218745
                   +0 :              -0.00003298554070
                   +1 :              -0.00003267332808
                4p
                   -1 :               0.00001691736808
                   +0 :               0.00001973996054
                   +1 :               0.00003716439539
                3d
                   -2 :               0.00004666083279
                   -1 :               0.00002392297373
                   +0 :              -0.00001650211125
                   +1 :              -0.00001224033990
                   +2 :              -0.00004858724747
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al(  9)  npairs=  13
              1 vec=     0.000000      2.752923     -9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00015194282802
                2p
                   -1 :              -0.00010071162461
                   +0 :               0.00005161234717
                   +1 :               0.00007260623627
                3s
                   +0 :               0.00027493314239
                4s
                   +0 :               0.00005087325046
                3p
                   -1 :              -0.00065204725546
                   +0 :               0.00005104142924
                   +1 :              -0.00022148486243
                4p
                   -1 :               0.00019182728852
                   +0 :              -0.00003827189769
                   +1 :               0.00010152761984
                3d
                   -2 :              -0.00036143474322
                   -1 :               0.00022584299216
                   +0 :              -0.00012050028035
                   +1 :               0.00008379114806
                   +2 :              -0.00016231644381
              2 vec=     0.000000     -6.230835     -9.762967   |vec|=   11.581832
                2s
                   +0 :               0.00046598551494
                2p
                   -1 :              -0.00003294747610
                   +0 :              -0.00011838923621
                   +1 :               0.00016161600399
                3s
                   +0 :              -0.00206503234244
                4s
                   +0 :               0.00086060815196
                3p
                   -1 :               0.00022606338244
                   +0 :               0.00119451506414
                   +1 :              -0.00058471735780
                4p
                   -1 :              -0.00020118769183
                   +0 :              -0.00047439610945
                   +1 :              -0.00004748558003
                3d
                   -2 :               0.00013895749786
                   -1 :              -0.00005678603461
                   +0 :              -0.00023902836803
                   +1 :               0.00008843177635
                   +2 :              -0.00013319516086
              3 vec=    -7.780163     -1.738956     -9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00017962507329
                2p
                   -1 :               0.00013268936979
                   +0 :               0.00011879505894
                   +1 :               0.00014647555325
                3s
                   +0 :               0.00157924744502
                4s
                   +0 :              -0.00039021395729
                3p
                   -1 :              -0.00113865520729
                   +0 :              -0.00088431045291
                   +1 :              -0.00138136873407
                4p
                   -1 :               0.00003130487118
                   +0 :               0.00033803169933
                   +1 :               0.00031187169679
                3d
                   -2 :               0.00015067779189
                   -1 :               0.00010178545498
                   +0 :              -0.00015859973116
                   +1 :               0.00012615525976
                   +2 :              -0.00015676327663
              4 vec=     7.780163     -1.738956     -9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00013674041183
                2p
                   -1 :              -0.00008412861051
                   +0 :               0.00001053378761
                   +1 :               0.00003000336863
                3s
                   +0 :               0.00016014729830
                4s
                   +0 :               0.00001269105498
                3p
                   -1 :               0.00021871311543
                   +0 :              -0.00029781125845
                   +1 :               0.00039467500609
                4p
                   -1 :              -0.00005947789061
                   +0 :               0.00010676707524
                   +1 :              -0.00003936769826
                3d
                   -2 :              -0.00008797212708
                   -1 :               0.00005809775297
                   +0 :              -0.00005604997620
                   +1 :              -0.00015727800185
                   +2 :               0.00014571211042
              5 vec=    -7.780163      7.244802     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00001014747645
                2p
                   -1 :              -0.00009259762651
                   +0 :              -0.00000529739670
                   +1 :              -0.00005601527445
                3s
                   +0 :               0.00025227642257
                4s
                   +0 :              -0.00007004651344
                3p
                   -1 :               0.00052299376867
                   +0 :              -0.00011610089027
                   +1 :               0.00031909927929
                4p
                   -1 :              -0.00013376286197
                   +0 :               0.00004384597608
                   +1 :              -0.00008822061553
                3d
                   -2 :               0.00002101379096
                   -1 :              -0.00006308881576
                   +0 :               0.00006570579787
                   +1 :              -0.00000859306996
                   +2 :               0.00007213502626
              6 vec=     7.780163      7.244802     -9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00022151800713
                2p
                   -1 :              -0.00005509089158
                   +0 :               0.00003821244929
                   +1 :              -0.00004746338007
                3s
                   +0 :               0.00073607238621
                4s
                   +0 :              -0.00019611910465
                3p
                   -1 :               0.00029757738676
                   +0 :              -0.00021180859922
                   +1 :               0.00038723900603
                4p
                   -1 :              -0.00004986960782
                   +0 :               0.00000003776360
                   +1 :              -0.00005627945351
                3d
                   -2 :               0.00003121026365
                   -1 :              -0.00001121371158
                   +0 :               0.00004008109490
                   +1 :              -0.00007311309653
                   +2 :              -0.00005676141631
              7 vec=     0.000000      2.752923     14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00005928247271
                2p
                   -1 :              -0.00002166729356
                   +0 :               0.00001681684192
                   +1 :               0.00001758892663
                3s
                   +0 :              -0.00007847007417
                4s
                   +0 :               0.00001697991003
                3p
                   -1 :               0.00005378796181
                   +0 :               0.00002837920562
                   +1 :              -0.00003950073135
                4p
                   -1 :               0.00001024183242
                   +0 :              -0.00000661875628
                   +1 :              -0.00002900142778
                3d
                   -2 :              -0.00010924510826
                   -1 :               0.00003581888777
                   +0 :               0.00003768276720
                   +1 :               0.00001993439259
                   +2 :              -0.00005171367120
              8 vec=     0.000000     11.736681     -9.762967   |vec|=   15.266473
                2s
                   +0 :               0.00017374129232
                2p
                   -1 :               0.00008597070287
                   +0 :              -0.00009425167409
                   +1 :              -0.00002939477613
                3s
                   +0 :              -0.00073206157228
                4s
                   +0 :               0.00028909104002
                3p
                   -1 :              -0.00060700023726
                   +0 :               0.00045769819920
                   +1 :               0.00014772314298
                4p
                   -1 :               0.00017299664367
                   +0 :              -0.00014256340549
                   +1 :              -0.00000173793704
                3d
                   -2 :               0.00011300155177
                   -1 :               0.00014321684009
                   +0 :               0.00004436239489
                   +1 :              -0.00001331485392
                   +2 :               0.00005101424282
              9 vec=     0.000000     -6.230835     14.784576   |vec|=   16.043908
                2s
                   +0 :               0.00009133739606
                2p
                   -1 :              -0.00002740729594
                   +0 :               0.00002960965795
                   +1 :               0.00001597007178
                3s
                   +0 :              -0.00036526815918
                4s
                   +0 :               0.00011325705476
                3p
                   -1 :               0.00001117760732
                   +0 :              -0.00017805422538
                   +1 :              -0.00008407823394
                4p
                   -1 :              -0.00001589494821
                   +0 :               0.00003415536604
                   +1 :               0.00003229331059
                3d
                   -2 :               0.00000510511312
                   -1 :              -0.00000754978491
                   +0 :              -0.00000079221718
                   +1 :              -0.00000499244319
                   +2 :               0.00001463372242
             10 vec=    -7.780163    -10.722714     -9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00009473361429
                2p
                   -1 :               0.00003725814422
                   +0 :               0.00000945499796
                   +1 :               0.00005241669776
                3s
                   +0 :               0.00002414136922
                4s
                   +0 :              -0.00004796168112
                3p
                   -1 :              -0.00008019818030
                   +0 :               0.00012430367523
                   +1 :              -0.00014009363326
                4p
                   -1 :               0.00000183442607
                   +0 :              -0.00002502352728
                   +1 :               0.00003452291520
                3d
                   -2 :               0.00001804706530
                   -1 :              -0.00001906553227
                   +0 :              -0.00004769579950
                   +1 :              -0.00002891321171
                   +2 :               0.00001190301666
             11 vec=     7.780163    -10.722714     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00005369428479
                2p
                   -1 :              -0.00003778666172
                   +0 :              -0.00001985216845
                   +1 :               0.00000623045071
                3s
                   +0 :              -0.00031873676835
                4s
                   +0 :               0.00008163529384
                3p
                   -1 :               0.00020569821005
                   +0 :               0.00014916717517
                   +1 :              -0.00011550717696
                4p
                   -1 :              -0.00004560646994
                   +0 :              -0.00002597739843
                   +1 :               0.00002349859970
                3d
                   -2 :               0.00005169793133
                   -1 :              -0.00005246170486
                   +0 :               0.00000688037410
                   +1 :               0.00002481255778
                   +2 :              -0.00000867993312
             12 vec=    -7.780163     -1.738956     14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00006391866566
                2p
                   -1 :              -0.00002638573406
                   +0 :               0.00000752842090
                   +1 :              -0.00000827182458
                3s
                   +0 :              -0.00033297433761
                4s
                   +0 :               0.00005871412476
                3p
                   -1 :               0.00006201774153
                   +0 :              -0.00013510749560
                   +1 :               0.00018774711731
                4p
                   -1 :              -0.00002833795303
                   +0 :              -0.00000017913496
                   +1 :              -0.00004032818693
                3d
                   -2 :               0.00001446386051
                   -1 :               0.00000475440193
                   +0 :               0.00000166651654
                   +1 :               0.00006222793891
                   +2 :              -0.00006555026798
             13 vec=     7.780163     -1.738956     14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00002554119001
                2p
                   -1 :              -0.00000838569070
                   +0 :              -0.00000178394401
                   +1 :              -0.00004047876673
                3s
                   +0 :              -0.00014459647283
                4s
                   +0 :              -0.00000396709484
                3p
                   -1 :              -0.00004975955166
                   +0 :              -0.00005560501446
                   +1 :               0.00008951768501
                4p
                   -1 :              -0.00000423130867
                   +0 :              -0.00002441981230
                   +1 :              -0.00003194020271
                3d
                   -2 :              -0.00002478944175
                   -1 :              -0.00002770762199
                   +0 :               0.00001241103918
                   +1 :              -0.00000760036316
                   +2 :              -0.00002910190894
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al( 10)  npairs=  14
              1 vec=     0.000000      2.752923     -2.510641   |vec|=    3.725842
                2s
                   +0 :               0.02276529244179
                2p
                   -1 :               0.02393710292847
                   +0 :              -0.02159745463719
                   +1 :              -0.00198638582962
                3s
                   +0 :               0.06735630446607
                4s
                   +0 :               0.00862970551672
                3p
                   -1 :               0.02791372455519
                   +0 :              -0.06195232224551
                   +1 :               0.01189343284547
                4p
                   -1 :               0.01260455381578
                   +0 :              -0.00845869750122
                   +1 :              -0.00453405256809
                3d
                   -2 :               0.00198477215769
                   -1 :              -0.04332801961569
                   +0 :               0.02346431779154
                   +1 :              -0.00044334148216
                   +2 :              -0.01616804973235
              2 vec=     0.000000     -6.230835     -2.510641   |vec|=    6.717635
                2s
                   +0 :               0.00218721798932
                2p
                   -1 :              -0.00200522854547
                   +0 :              -0.00115785640938
                   +1 :               0.00078285655179
                3s
                   +0 :              -0.00137886910184
                4s
                   +0 :               0.00469252927168
                3p
                   -1 :               0.00090537477515
                   +0 :               0.00099466751405
                   +1 :              -0.00518919840367
                4p
                   -1 :              -0.00302477922958
                   +0 :              -0.00148308254023
                   +1 :               0.00134882367116
                3d
                   -2 :               0.00076879108311
                   -1 :              -0.00048803437027
                   +0 :              -0.00048295922365
                   +1 :               0.00007395610296
                   +2 :              -0.00028065201241
              3 vec=    -7.780163     -1.738956     -2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00047324753486
                2p
                   -1 :              -0.00038063023282
                   +0 :              -0.00001675368636
                   +1 :              -0.00004148159533
                3s
                   +0 :               0.00088272702357
                4s
                   +0 :              -0.00212397415766
                3p
                   -1 :               0.00286895810535
                   +0 :               0.00000192027490
                   +1 :              -0.00344560020992
                4p
                   -1 :              -0.00081420683339
                   +0 :               0.00053093273279
                   +1 :               0.00232267493189
                3d
                   -2 :              -0.00030704227781
                   -1 :              -0.00048438410497
                   +0 :              -0.00049477078595
                   +1 :               0.00089091241812
                   +2 :               0.00081020813523
              4 vec=     7.780163     -1.738956     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00093131121582
                2p
                   -1 :              -0.00030557314482
                   +0 :              -0.00032353924916
                   +1 :              -0.00062404758189
                3s
                   +0 :               0.00306823920627
                4s
                   +0 :              -0.00079311144678
                3p
                   -1 :               0.00073013571495
                   +0 :               0.00211258659706
                   +1 :               0.00348299437368
                4p
                   -1 :               0.00022892295542
                   +0 :              -0.00047853313533
                   +1 :              -0.00079799300033
                3d
                   -2 :               0.00049490551615
                   -1 :              -0.00026316188659
                   +0 :              -0.00111324646413
                   +1 :              -0.00008506218218
                   +2 :               0.00102968013751
              5 vec=    -7.780163      7.244802     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00037515887525
                2p
                   -1 :              -0.00016464414253
                   +0 :               0.00006170496586
                   +1 :               0.00014107395639
                3s
                   +0 :               0.00092323946820
                4s
                   +0 :              -0.00051526848774
                3p
                   -1 :               0.00028180593757
                   +0 :              -0.00014558789075
                   +1 :              -0.00058222404704
                4p
                   -1 :              -0.00009226540532
                   +0 :               0.00004146943903
                   +1 :               0.00021797162964
                3d
                   -2 :              -0.00004874495882
                   -1 :               0.00014303028122
                   +0 :              -0.00028448684311
                   +1 :               0.00019451064423
                   +2 :              -0.00000163786555
              6 vec=     7.780163      7.244802     -2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00050295179471
                2p
                   -1 :               0.00016021139158
                   +0 :               0.00012437283730
                   +1 :               0.00001494254477
                3s
                   +0 :              -0.00109776861843
                4s
                   +0 :              -0.00032169050404
                3p
                   -1 :              -0.00056203560558
                   +0 :              -0.00049276742953
                   +1 :               0.00059339602763
                4p
                   -1 :              -0.00015085341773
                   +0 :               0.00026938870802
                   +1 :              -0.00050170071667
                3d
                   -2 :               0.00014051170869
                   -1 :               0.00017015272151
                   +0 :              -0.00009866704665
                   +1 :              -0.00039561437975
                   +2 :               0.00014397710399
              7 vec=     0.000000     11.736681     -2.510641   |vec|=   12.002208
                2s
                   +0 :               0.00038695906208
                2p
                   -1 :               0.00022101533344
                   +0 :              -0.00020082582949
                   +1 :              -0.00000266104731
                3s
                   +0 :              -0.00070529066263
                4s
                   +0 :               0.00054321162613
                3p
                   -1 :              -0.00077354832797
                   +0 :               0.00023724941649
                   +1 :               0.00000670293835
                4p
                   -1 :               0.00033139641146
                   +0 :              -0.00020785435359
                   +1 :               0.00006112620295
                3d
                   -2 :               0.00031869491484
                   -1 :              -0.00015944557367
                   +0 :               0.00012952464338
                   +1 :               0.00009028630215
                   +2 :              -0.00008042432192
              8 vec=    -7.780163    -10.722714     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00008269987802
                2p
                   -1 :              -0.00007206415489
                   +0 :               0.00023304794661
                   +1 :               0.00026879152899
                3s
                   +0 :              -0.00049159997658
                4s
                   +0 :              -0.00016069120050
                3p
                   -1 :               0.00055741164743
                   +0 :              -0.00024425097590
                   +1 :              -0.00090812002727
                4p
                   -1 :              -0.00010490996015
                   +0 :               0.00015440624432
                   +1 :               0.00038704957838
                3d
                   -2 :               0.00000648143267
                   -1 :               0.00008271486944
                   +0 :              -0.00021173749864
                   +1 :              -0.00017030478433
                   +2 :               0.00022919246276
              9 vec=     7.780163    -10.722714     -2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00007604016815
                2p
                   -1 :               0.00004195804168
                   +0 :               0.00001126144671
                   +1 :               0.00005819172934
                3s
                   +0 :              -0.00132292183330
                4s
                   +0 :               0.00027354594818
                3p
                   -1 :              -0.00014377605642
                   +0 :               0.00079098081374
                   +1 :              -0.00097254313002
                4p
                   -1 :               0.00007261009985
                   +0 :              -0.00001647052245
                   +1 :               0.00021302729052
                3d
                   -2 :               0.00007736525394
                   -1 :              -0.00007441904231
                   +0 :              -0.00027337514835
                   +1 :               0.00029712075491
                   +2 :              -0.00019569157821
             10 vec=     0.000000    -15.214593     -2.510641   |vec|=   15.420349
                2s
                   +0 :               0.00005638847403
                2p
                   -1 :              -0.00004325085175
                   +0 :              -0.00000651425231
                   +1 :              -0.00002562237863
                3s
                   +0 :              -0.00037190028864
                4s
                   +0 :               0.00013755475226
                3p
                   -1 :               0.00028901199394
                   +0 :               0.00008531805030
                   +1 :               0.00011877706249
                4p
                   -1 :              -0.00010420109790
                   +0 :              -0.00001461016556
                   +1 :               0.00001019080298
                3d
                   -2 :               0.00001000613244
                   -1 :              -0.00003462792906
                   +0 :               0.00001265937403
                   +1 :              -0.00002787508034
                   +2 :               0.00003562993343
             11 vec=   -15.560325      2.752923     -2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00005861507160
                2p
                   -1 :               0.00000070820876
                   +0 :               0.00000411760453
                   +1 :              -0.00004777409882
                3s
                   +0 :              -0.00004202855925
                4s
                   +0 :               0.00003389141831
                3p
                   -1 :              -0.00006834402696
                   +0 :              -0.00010667459267
                   +1 :               0.00015112643479
                4p
                   -1 :               0.00002417726500
                   +0 :               0.00000462839901
                   +1 :              -0.00003574419924
                3d
                   -2 :               0.00003788055335
                   -1 :               0.00005534434993
                   +0 :               0.00003071675358
                   +1 :               0.00002933766218
                   +2 :              -0.00002303095886
             12 vec=    15.560325      2.752923     -2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00005401028705
                2p
                   -1 :              -0.00001715472687
                   +0 :              -0.00002224162362
                   +1 :               0.00006688970273
                3s
                   +0 :              -0.00002949909209
                4s
                   +0 :               0.00005020662612
                3p
                   -1 :               0.00009075902387
                   +0 :               0.00006930812403
                   +1 :              -0.00026319314886
                4p
                   -1 :              -0.00002986819808
                   +0 :              -0.00004639294410
                   +1 :               0.00007118969706
                3d
                   -2 :              -0.00003595370639
                   -1 :               0.00002699517781
                   +0 :               0.00003798729164
                   +1 :               0.00000733906641
                   +2 :              -0.00003187422254
             13 vec=   -15.560325     -6.230835     -2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00001664835996
                2p
                   -1 :               0.00000284143646
                   +0 :               0.00001201706782
                   +1 :               0.00000092606085
                3s
                   +0 :              -0.00012649655338
                4s
                   +0 :               0.00007373703211
                3p
                   -1 :              -0.00000599661619
                   +0 :              -0.00002840376931
                   +1 :               0.00004806500930
                4p
                   -1 :              -0.00000626813873
                   +0 :               0.00000440920396
                   +1 :              -0.00003297104927
                3d
                   -2 :              -0.00001337311638
                   -1 :              -0.00001773847116
                   +0 :              -0.00001047241011
                   +1 :              -0.00000549390570
                   +2 :              -0.00001686011469
             14 vec=    15.560325     -6.230835     -2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00000709638606
                2p
                   -1 :               0.00000055216408
                   +0 :               0.00000701967884
                   +1 :               0.00000107766011
                3s
                   +0 :               0.00001246042582
                4s
                   +0 :              -0.00001423371186
                3p
                   -1 :               0.00000815704500
                   +0 :              -0.00001677685844
                   +1 :              -0.00002416409122
                4p
                   -1 :              -0.00000477129209
                   +0 :               0.00001178917537
                   +1 :               0.00001226707499
                3d
                   -2 :              -0.00000285107260
                   -1 :               0.00000862893673
                   +0 :               0.00002621659921
                   +1 :               0.00000381583240
                   +2 :               0.00000232034559
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al( 11)  npairs=  13
              1 vec=     0.000000      2.752923      9.763130   |vec|=   10.143831
                2s
                   +0 :              -0.00032877446326
                2p
                   -1 :              -0.00012303069063
                   +0 :              -0.00011062332315
                   +1 :              -0.00022114593096
                3s
                   +0 :               0.00028663795469
                4s
                   +0 :              -0.00001866556894
                3p
                   -1 :              -0.00055978299624
                   +0 :               0.00009565502816
                   +1 :               0.00106801632403
                4p
                   -1 :              -0.00001563405364
                   +0 :               0.00001365214273
                   +1 :              -0.00040655368292
                3d
                   -2 :               0.00044391548565
                   -1 :              -0.00024721314633
                   +0 :              -0.00010678477537
                   +1 :               0.00001230024159
                   +2 :              -0.00046439967823
              2 vec=     0.000000     -6.230835      9.763130   |vec|=   11.581970
                2s
                   +0 :               0.00034483495914
                2p
                   -1 :              -0.00005536437939
                   +0 :               0.00018694303047
                   +1 :              -0.00016340744445
                3s
                   +0 :              -0.00147674045703
                4s
                   +0 :               0.00074851209459
                3p
                   -1 :               0.00035884685180
                   +0 :              -0.00140279721300
                   +1 :               0.00052725587051
                4p
                   -1 :              -0.00010199664052
                   +0 :               0.00051274259651
                   +1 :               0.00003679333809
                3d
                   -2 :              -0.00035550826356
                   -1 :               0.00015896733553
                   +0 :              -0.00035223037640
                   +1 :               0.00016767603156
                   +2 :              -0.00007172370338
              3 vec=    -7.780163     -1.738956      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00001864629833
                2p
                   -1 :              -0.00012063348591
                   +0 :              -0.00003242696029
                   +1 :               0.00002744942729
                3s
                   +0 :               0.00072887290002
                4s
                   +0 :               0.00006743572849
                3p
                   -1 :               0.00041641912045
                   +0 :               0.00042239063802
                   +1 :              -0.00101001353894
                4p
                   -1 :              -0.00025194963114
                   +0 :              -0.00005187711668
                   +1 :               0.00012888474357
                3d
                   -2 :               0.00032193919454
                   -1 :              -0.00010328724787
                   +0 :              -0.00008542257543
                   +1 :              -0.00032462553181
                   +2 :               0.00024856211712
              4 vec=     7.780163     -1.738956      9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00010156252937
                2p
                   -1 :               0.00004208627886
                   +0 :              -0.00006791613263
                   +1 :              -0.00013415509733
                3s
                   +0 :               0.00127011794044
                4s
                   +0 :              -0.00030924904190
                3p
                   -1 :              -0.00050317959400
                   +0 :               0.00070827810206
                   +1 :               0.00149908638060
                4p
                   -1 :              -0.00005232475630
                   +0 :              -0.00026795397272
                   +1 :              -0.00029229384358
                3d
                   -2 :              -0.00011222202665
                   -1 :               0.00002513968448
                   +0 :              -0.00014766420204
                   +1 :               0.00023891385328
                   +2 :               0.00012528834624
              5 vec=    -7.780163      7.244802      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00000224872496
                2p
                   -1 :               0.00004304457124
                   +0 :              -0.00000266407291
                   +1 :               0.00014092515951
                3s
                   +0 :               0.00012826506569
                4s
                   +0 :              -0.00018336322694
                3p
                   -1 :              -0.00021306811417
                   +0 :               0.00003427903276
                   +1 :              -0.00079851654784
                4p
                   -1 :              -0.00001885635151
                   +0 :              -0.00003772989006
                   +1 :               0.00026026363158
                3d
                   -2 :              -0.00004242867417
                   -1 :              -0.00011325824561
                   +0 :               0.00004514289160
                   +1 :              -0.00014736366690
                   +2 :               0.00018359264437
              6 vec=     7.780163      7.244802      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00020165167764
                2p
                   -1 :               0.00006599236868
                   +0 :              -0.00005371915775
                   +1 :              -0.00002749602094
                3s
                   +0 :               0.00053839181897
                4s
                   +0 :              -0.00013508871031
                3p
                   -1 :              -0.00039349438600
                   +0 :               0.00017762626409
                   +1 :              -0.00000262841878
                4p
                   -1 :               0.00009418612715
                   +0 :              -0.00002155682336
                   +1 :               0.00005807694539
                3d
                   -2 :              -0.00020830960823
                   -1 :              -0.00012066740053
                   +0 :               0.00000319106367
                   +1 :               0.00001616718387
                   +2 :               0.00000891571626
              7 vec=     0.000000      2.752923    -14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00004895742338
                2p
                   -1 :               0.00002895378022
                   +0 :              -0.00001554342026
                   +1 :              -0.00005172446925
                3s
                   +0 :              -0.00003018184425
                4s
                   +0 :               0.00003158472748
                3p
                   -1 :              -0.00016791031708
                   +0 :              -0.00000986045046
                   +1 :               0.00021875169008
                4p
                   -1 :               0.00003111565811
                   +0 :              -0.00000025150197
                   +1 :              -0.00000765891054
                3d
                   -2 :               0.00005694526070
                   -1 :               0.00000246389364
                   +0 :               0.00001685335917
                   +1 :              -0.00002567737555
                   +2 :              -0.00009655937371
              8 vec=     0.000000     11.736681      9.763130   |vec|=   15.266578
                2s
                   +0 :               0.00032910273842
                2p
                   -1 :               0.00018563745559
                   +0 :               0.00015524921437
                   +1 :               0.00009323831193
                3s
                   +0 :              -0.00111492921366
                4s
                   +0 :               0.00025856002815
                3p
                   -1 :              -0.00099367896580
                   +0 :              -0.00072433600012
                   +1 :              -0.00061448348078
                4p
                   -1 :               0.00019045577433
                   +0 :               0.00013808034403
                   +1 :               0.00022391325919
                3d
                   -2 :              -0.00007242706322
                   -1 :              -0.00031976524597
                   +0 :               0.00000950478873
                   +1 :              -0.00003258063510
                   +2 :               0.00022022584703
              9 vec=     0.000000     -6.230835    -14.784412   |vec|=   16.043757
                2s
                   +0 :               0.00015411867213
                2p
                   -1 :              -0.00006497774266
                   +0 :              -0.00004721158698
                   +1 :              -0.00001222251893
                3s
                   +0 :              -0.00073141851702
                4s
                   +0 :               0.00021423199161
                3p
                   -1 :               0.00018838901872
                   +0 :               0.00030535352500
                   +1 :               0.00001011987165
                4p
                   -1 :              -0.00006215445853
                   +0 :              -0.00006162998410
                   +1 :              -0.00001980015131
                3d
                   -2 :              -0.00000651628514
                   -1 :              -0.00003249613043
                   +0 :              -0.00000412699682
                   +1 :               0.00000542790846
                   +2 :               0.00000081704043
             10 vec=    -7.780163    -10.722714      9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00002879411595
                2p
                   -1 :              -0.00001184761260
                   +0 :               0.00001809088066
                   +1 :              -0.00000139875029
                3s
                   +0 :              -0.00025831612644
                4s
                   +0 :               0.00006096687452
                3p
                   -1 :               0.00008154276217
                   +0 :              -0.00016106032464
                   +1 :               0.00013576606595
                4p
                   -1 :              -0.00001731629077
                   +0 :               0.00003301859797
                   +1 :              -0.00002868942048
                3d
                   -2 :              -0.00002178656065
                   -1 :               0.00001500119886
                   +0 :              -0.00000751232329
                   +1 :               0.00004346995573
                   +2 :              -0.00003943583381
             11 vec=     7.780163    -10.722714      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00010633884359
                2p
                   -1 :               0.00004722816818
                   +0 :              -0.00000021441991
                   +1 :              -0.00008730391464
                3s
                   +0 :               0.00023097935700
                4s
                   +0 :              -0.00008286382434
                3p
                   -1 :              -0.00019309329872
                   +0 :              -0.00009726396736
                   +1 :               0.00032934257798
                4p
                   -1 :               0.00003934762373
                   +0 :               0.00002695287344
                   +1 :              -0.00005971888661
                3d
                   -2 :              -0.00005448259177
                   -1 :               0.00001482415301
                   +0 :              -0.00004131767733
                   +1 :               0.00002176034045
                   +2 :               0.00002361571807
             12 vec=    -7.780163     -1.738956    -14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00001478874872
                2p
                   -1 :              -0.00000205012564
                   +0 :               0.00001376073859
                   +1 :               0.00005241456862
                3s
                   +0 :               0.00007883071192
                4s
                   +0 :              -0.00002726355586
                3p
                   -1 :              -0.00020649150738
                   +0 :              -0.00004204550289
                   +1 :              -0.00013380073877
                4p
                   -1 :               0.00001528035071
                   +0 :               0.00004136553779
                   +1 :               0.00004691304867
                3d
                   -2 :               0.00002281091316
                   -1 :               0.00004605416578
                   +0 :               0.00001420444945
                   +1 :               0.00000415292114
                   +2 :              -0.00004316639426
             13 vec=     7.780163     -1.738956    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00004874037201
                2p
                   -1 :               0.00000415778446
                   +0 :              -0.00000367616028
                   +1 :               0.00001041707636
                3s
                   +0 :              -0.00028020101414
                4s
                   +0 :               0.00005851875992
                3p
                   -1 :              -0.00006686144295
                   +0 :               0.00010223771081
                   +1 :              -0.00017311748332
                4p
                   -1 :               0.00000161378713
                   +0 :               0.00000502732139
                   +1 :               0.00002823268028
                3d
                   -2 :              -0.00003145288897
                   -1 :               0.00001277252911
                   +0 :               0.00000986311471
                   +1 :               0.00006440307075
                   +2 :              -0.00004994740737
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site Al( 12)  npairs=  14
              1 vec=     0.000000      2.752923      2.510804   |vec|=    3.725953
                2s
                   +0 :               0.02278042893362
                2p
                   -1 :               0.02390376772367
                   +0 :               0.02155486450857
                   +1 :               0.00212771282122
                3s
                   +0 :               0.06871432920439
                4s
                   +0 :               0.00871028273280
                3p
                   -1 :               0.02865241496420
                   +0 :               0.06205734836836
                   +1 :              -0.01298152629376
                4p
                   -1 :               0.01252178474507
                   +0 :               0.00845191200890
                   +1 :               0.00482145422681
                3d
                   -2 :              -0.00152606981005
                   -1 :               0.04363417381156
                   +0 :               0.02335395968407
                   +1 :              -0.00035514962461
                   +2 :              -0.01609106294346
              2 vec=     0.000000     -6.230835      2.510804   |vec|=    6.717696
                2s
                   +0 :               0.00215247130441
                2p
                   -1 :              -0.00193779758269
                   +0 :               0.00112088313412
                   +1 :              -0.00088323449289
                3s
                   +0 :              -0.00198047617356
                4s
                   +0 :               0.00466287583390
                3p
                   -1 :               0.00105500418542
                   +0 :              -0.00072886976612
                   +1 :               0.00556989456741
                4p
                   -1 :              -0.00298834626297
                   +0 :               0.00133213303994
                   +1 :              -0.00150826422965
                3d
                   -2 :              -0.00083183582588
                   -1 :               0.00043504645463
                   +0 :              -0.00040198314038
                   +1 :               0.00004600062895
                   +2 :              -0.00020929604961
              3 vec=    -7.780163     -1.738956      2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00078154545575
                2p
                   -1 :              -0.00038692311851
                   +0 :               0.00035013464727
                   +1 :               0.00068114393322
                3s
                   +0 :               0.00225174005925
                4s
                   +0 :              -0.00067252490941
                3p
                   -1 :               0.00120258758328
                   +0 :              -0.00227466625914
                   +1 :              -0.00381089661555
                4p
                   -1 :               0.00017547524052
                   +0 :               0.00051008711546
                   +1 :               0.00085339670028
                3d
                   -2 :              -0.00048205279806
                   -1 :               0.00034434739269
                   +0 :              -0.00104155656680
                   +1 :              -0.00007931455331
                   +2 :               0.00121681381159
              4 vec=     7.780163     -1.738956      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00031017684720
                2p
                   -1 :              -0.00051554053757
                   +0 :               0.00002439587505
                   +1 :              -0.00001245862765
                3s
                   +0 :               0.00121546052113
                4s
                   +0 :              -0.00224057025717
                3p
                   -1 :               0.00367343461835
                   +0 :               0.00002666183996
                   +1 :               0.00351149927795
                4p
                   -1 :              -0.00099586389565
                   +0 :              -0.00057211960795
                   +1 :              -0.00235402169633
                3d
                   -2 :               0.00037440653427
                   -1 :               0.00038850783665
                   +0 :              -0.00052549702499
                   +1 :               0.00084983710233
                   +2 :               0.00076593909260
              5 vec=    -7.780163      7.244802      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00035177837034
                2p
                   -1 :               0.00011062732444
                   +0 :              -0.00013157037678
                   +1 :               0.00010822728048
                3s
                   +0 :              -0.00064700408313
                4s
                   +0 :              -0.00045353412733
                3p
                   -1 :              -0.00033256070695
                   +0 :               0.00058631959299
                   +1 :              -0.00112786835025
                4p
                   -1 :              -0.00019756033054
                   +0 :              -0.00032335547687
                   +1 :               0.00059631692777
                3d
                   -2 :              -0.00025321543544
                   -1 :              -0.00014551391360
                   +0 :              -0.00016544318930
                   +1 :              -0.00032159304247
                   +2 :               0.00019946107859
              6 vec=     7.780163      7.244802      2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00025847216537
                2p
                   -1 :              -0.00006248759787
                   +0 :              -0.00003961155552
                   +1 :              -0.00003358762016
                3s
                   +0 :               0.00074517103060
                4s
                   +0 :              -0.00040200931959
                3p
                   -1 :              -0.00025198274533
                   +0 :               0.00003103884709
                   +1 :               0.00018228235539
                4p
                   -1 :               0.00002254171281
                   +0 :               0.00000412592201
                   +1 :              -0.00013217887460
                3d
                   -2 :              -0.00002248168441
                   -1 :              -0.00005480961791
                   +0 :              -0.00025836148105
                   +1 :               0.00018513088389
                   +2 :              -0.00000711017874
              7 vec=     0.000000     11.736681      2.510804   |vec|=   12.002242
                2s
                   +0 :               0.00029144774199
                2p
                   -1 :               0.00016796299463
                   +0 :               0.00019232976924
                   +1 :               0.00006361966415
                3s
                   +0 :              -0.00038220941989
                4s
                   +0 :               0.00041409874083
                3p
                   -1 :              -0.00046346111230
                   +0 :              -0.00013640525620
                   +1 :              -0.00014894292771
                4p
                   -1 :               0.00023287933185
                   +0 :               0.00017116852588
                   +1 :              -0.00004688692612
                3d
                   -2 :              -0.00041122180712
                   -1 :               0.00015044204952
                   +0 :               0.00007985822199
                   +1 :               0.00006007315607
                   +2 :              -0.00008500678768
              8 vec=    -7.780163    -10.722714      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00004108972612
                2p
                   -1 :               0.00006994461718
                   +0 :              -0.00000649931716
                   +1 :              -0.00008015568243
                3s
                   +0 :              -0.00128015508708
                4s
                   +0 :               0.00024938177052
                3p
                   -1 :              -0.00027399144007
                   +0 :              -0.00078664236374
                   +1 :               0.00112168680589
                4p
                   -1 :               0.00009822150379
                   +0 :               0.00001506102497
                   +1 :              -0.00024209848217
                3d
                   -2 :              -0.00010704475632
                   -1 :               0.00007051754865
                   +0 :              -0.00029002717767
                   +1 :               0.00028711589250
                   +2 :              -0.00023083901993
              9 vec=     7.780163    -10.722714      2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00013667382972
                2p
                   -1 :              -0.00006096106766
                   +0 :              -0.00021869475981
                   +1 :              -0.00028581077988
                3s
                   +0 :              -0.00025893360468
                4s
                   +0 :              -0.00020459047302
                3p
                   -1 :               0.00048486720198
                   +0 :               0.00015497108857
                   +1 :               0.00097336793466
                4p
                   -1 :              -0.00009051795795
                   +0 :              -0.00014332224281
                   +1 :              -0.00039787676187
                3d
                   -2 :               0.00001611474237
                   -1 :              -0.00007265278453
                   +0 :              -0.00021014460595
                   +1 :              -0.00017459548737
                   +2 :               0.00020761215091
             10 vec=     0.000000    -15.214593      2.510804   |vec|=   15.420376
                2s
                   +0 :               0.00001403549711
                2p
                   -1 :              -0.00002184615975
                   +0 :               0.00000821704762
                   +1 :               0.00000395255320
                3s
                   +0 :              -0.00021218017291
                4s
                   +0 :               0.00010372638102
                3p
                   -1 :               0.00017702759825
                   +0 :              -0.00007010621808
                   +1 :               0.00001537925111
                4p
                   -1 :              -0.00008849734630
                   +0 :               0.00000008125127
                   +1 :              -0.00003904255590
                3d
                   -2 :              -0.00002682634065
                   -1 :               0.00002366133890
                   +0 :               0.00000918487540
                   +1 :              -0.00004239713380
                   +2 :               0.00001018805601
             11 vec=   -15.560325      2.752923      2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00007466666677
                2p
                   -1 :              -0.00001561459531
                   +0 :               0.00002647846872
                   +1 :              -0.00006427275127
                3s
                   +0 :              -0.00008799804880
                4s
                   +0 :               0.00006714022351
                3p
                   -1 :               0.00008321981658
                   +0 :              -0.00008464057089
                   +1 :               0.00024327170639
                4p
                   -1 :              -0.00003035229957
                   +0 :               0.00003850804176
                   +1 :              -0.00007522020375
                3d
                   -2 :               0.00002780813848
                   -1 :              -0.00003031314182
                   +0 :               0.00005930391583
                   +1 :               0.00001626988809
                   +2 :              -0.00000579161415
             12 vec=    15.560325      2.752923      2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00000279806158
                2p
                   -1 :              -0.00005354592657
                   +0 :               0.00000176605806
                   +1 :               0.00002614246023
                3s
                   +0 :               0.00019220844299
                4s
                   +0 :              -0.00002092285161
                3p
                   -1 :               0.00022778127069
                   +0 :               0.00009495522735
                   +1 :              -0.00003688870837
                4p
                   -1 :              -0.00004762930571
                   +0 :              -0.00002767720413
                   +1 :               0.00001758551961
                3d
                   -2 :               0.00001370160056
                   -1 :              -0.00008997420130
                   +0 :               0.00002028930051
                   +1 :               0.00002663723283
                   +2 :              -0.00004296853945
             13 vec=   -15.560325     -6.230835      2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00000535423127
                2p
                   -1 :              -0.00000701555626
                   +0 :              -0.00000281363220
                   +1 :              -0.00000106616148
                3s
                   +0 :              -0.00001602961726
                4s
                   +0 :              -0.00000503164542
                3p
                   -1 :               0.00002417361252
                   +0 :              -0.00001304222094
                   +1 :               0.00002894738372
                4p
                   -1 :              -0.00000726968352
                   +0 :              -0.00000466855022
                   +1 :              -0.00001097247460
                3d
                   -2 :              -0.00000704343009
                   -1 :              -0.00000550026705
                   +0 :               0.00001334418672
                   +1 :               0.00001104113633
                   +2 :              -0.00000105114540
             14 vec=    15.560325     -6.230835      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00001860794274
                2p
                   -1 :               0.00001052247807
                   +0 :              -0.00000677437582
                   +1 :               0.00000653180470
                3s
                   +0 :              -0.00011900977721
                4s
                   +0 :               0.00006998150962
                3p
                   -1 :              -0.00004619977752
                   +0 :              -0.00000797130362
                   +1 :              -0.00008296578531
                4p
                   -1 :               0.00000639297118
                   +0 :               0.00001606315527
                   +1 :               0.00003800951300
                3d
                   -2 :               0.00000709868352
                   -1 :               0.00001108996089
                   +0 :               0.00000043707844
                   +1 :              -0.00001200381060
                   +2 :              -0.00001053995216
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 13)  npairs=  14
              1 vec=    -0.209546     -3.115268     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00126195465488
                2s
                   +0 :              -0.03987524012804
                3s
                   +0 :               0.00171720228381
                2p
                   -1 :               0.01549375147875
                   +0 :               0.02662123591979
                   +1 :              -0.00121902254440
                3p
                   -1 :              -0.00263232823673
                   +0 :               0.00029031412716
                   +1 :               0.00160766998954
                3d
                   -2 :              -0.00034484191719
                   -1 :              -0.00198031125999
                   +0 :              -0.00170820979352
                   +1 :              -0.00042437020990
                   +2 :               0.00044500125886
              2 vec=    -0.209546      5.868490     -4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00154244034292
                2s
                   +0 :               0.00943778313212
                3s
                   +0 :              -0.00522386476095
                2p
                   -1 :               0.01026527646981
                   +0 :              -0.00116191519132
                   +1 :               0.00027791051687
                3p
                   -1 :              -0.00805634959720
                   +0 :               0.00010865809885
                   +1 :              -0.00081168955325
                3d
                   -2 :              -0.00006517105258
                   -1 :               0.00031613893600
                   +0 :               0.00031869640402
                   +1 :              -0.00003762149881
                   +2 :               0.00058269121533
              3 vec=     7.570617      1.376611     -4.091257   |vec|=    8.714797
                1s
                   +0 :              -0.00017737312837
                2s
                   +0 :               0.00104230713393
                3s
                   +0 :              -0.00025029927517
                2p
                   -1 :               0.00068929141200
                   +0 :               0.00201846807643
                   +1 :               0.00164054984902
                3p
                   -1 :              -0.00081275665124
                   +0 :              -0.00057516509773
                   +1 :              -0.00069498836580
                3d
                   -2 :              -0.00006970941080
                   -1 :               0.00014607757211
                   +0 :               0.00001892322227
                   +1 :               0.00006995309671
                   +2 :              -0.00000078132064
              4 vec=    -7.989708      1.376611     -4.091257   |vec|=    9.081238
                1s
                   +0 :              -0.00005563547421
                2s
                   +0 :               0.00044184088290
                3s
                   +0 :              -0.00016753530794
                2p
                   -1 :              -0.00044023425566
                   +0 :               0.00108551637197
                   +1 :              -0.00303376947253
                3p
                   -1 :               0.00014766306476
                   +0 :              -0.00014096443898
                   +1 :               0.00248446091453
                3d
                   -2 :              -0.00002193678826
                   -1 :              -0.00008809752339
                   +0 :               0.00002437231149
                   +1 :              -0.00005664843538
                   +2 :              -0.00008181088165
              5 vec=     7.570617     -7.607147     -4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00010850327323
                2s
                   +0 :              -0.00101928637260
                3s
                   +0 :               0.00041232724928
                2p
                   -1 :               0.00040228425277
                   +0 :               0.00016233582476
                   +1 :              -0.00094605758950
                3p
                   -1 :              -0.00022392897655
                   +0 :              -0.00002824085255
                   +1 :               0.00060799207354
                3d
                   -2 :              -0.00002082499725
                   -1 :              -0.00004918346092
                   +0 :               0.00001955491759
                   +1 :              -0.00001254334091
                   +2 :               0.00005096280505
              6 vec=    -7.989708     -7.607147     -4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00002060996716
                2s
                   +0 :              -0.00022321456150
                3s
                   +0 :              -0.00006068221807
                2p
                   -1 :              -0.00073540823960
                   +0 :               0.00026945259947
                   +1 :               0.00040931308903
                3p
                   -1 :               0.00073122107149
                   +0 :              -0.00008396625302
                   +1 :              -0.00003999258308
                3d
                   -2 :              -0.00008759069247
                   -1 :               0.00003438725040
                   +0 :               0.00000872780460
                   +1 :              -0.00001059892423
                   +2 :               0.00004564206322
              7 vec=    -0.209546    -12.099026     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00001862811400
                2s
                   +0 :              -0.00064577668670
                3s
                   +0 :               0.00003065876549
                2p
                   -1 :               0.00000227820704
                   +0 :              -0.00002153844470
                   +1 :              -0.00013855214927
                3p
                   -1 :               0.00007703479839
                   +0 :               0.00004361001082
                   +1 :               0.00004254460910
                3d
                   -2 :              -0.00003060812466
                   -1 :              -0.00000198988292
                   +0 :              -0.00003335961152
                   +1 :               0.00000711606366
                   +2 :              -0.00000667967482
              8 vec=     7.570617     10.360369     -4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00000566234910
                2s
                   +0 :               0.00048421679683
                3s
                   +0 :               0.00008467977807
                2p
                   -1 :              -0.00024404571044
                   +0 :              -0.00063784079792
                   +1 :               0.00057924007882
                3p
                   -1 :               0.00019798256524
                   +0 :               0.00013000293581
                   +1 :              -0.00040640231644
                3d
                   -2 :               0.00000535030213
                   -1 :               0.00000271404878
                   +0 :               0.00000963970112
                   +1 :              -0.00001764498023
                   +2 :              -0.00002149176570
              9 vec=    -7.989708     10.360369     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00003445001051
                2s
                   +0 :               0.00048141613910
                3s
                   +0 :              -0.00004350385767
                2p
                   -1 :              -0.00009796277591
                   +0 :              -0.00047205395825
                   +1 :               0.00007207356888
                3p
                   -1 :               0.00009737724471
                   +0 :               0.00001671392529
                   +1 :              -0.00025922664335
                3d
                   -2 :               0.00002368652277
                   -1 :               0.00002929472065
                   +0 :               0.00001443461686
                   +1 :               0.00001925293469
                   +2 :               0.00001155557049
             10 vec=    -0.209546     14.852248     -4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00003732157842
                2s
                   +0 :               0.00027192615387
                3s
                   +0 :              -0.00005459030875
                2p
                   -1 :               0.00026011025405
                   +0 :              -0.00009359466358
                   +1 :              -0.00015847558721
                3p
                   -1 :              -0.00009678526522
                   +0 :               0.00002813651633
                   +1 :               0.00012760191143
                3d
                   -2 :               0.00001077558403
                   -1 :               0.00000342844404
                   +0 :               0.00000384747010
                   +1 :               0.00000124339624
                   +2 :              -0.00000490825796
             11 vec=    15.350780     -3.115268     -4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00000449788985
                2s
                   +0 :              -0.00006453382984
                3s
                   +0 :               0.00003709799937
                2p
                   -1 :              -0.00000749835685
                   +0 :              -0.00001073103916
                   +1 :              -0.00005291323298
                3p
                   -1 :               0.00000098317607
                   +0 :              -0.00001237363075
                   +1 :               0.00001509648299
                3d
                   -2 :               0.00000047037807
                   -1 :               0.00000299897271
                   +0 :               0.00000778144798
                   +1 :              -0.00000307337049
                   +2 :              -0.00000123338468
             12 vec=   -15.769871     -3.115268     -4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00000804910832
                2s
                   +0 :              -0.00004538698771
                3s
                   +0 :               0.00001519307527
                2p
                   -1 :              -0.00002986304734
                   +0 :               0.00001773228618
                   +1 :               0.00005251467866
                3p
                   -1 :               0.00000807545347
                   +0 :               0.00001898371513
                   +1 :               0.00001228995369
                3d
                   -2 :              -0.00000447027601
                   -1 :              -0.00000420091417
                   +0 :               0.00000474166082
                   +1 :              -0.00000167957432
                   +2 :              -0.00000315212800
             13 vec=    15.350780      5.868490     -4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000293624650
                2s
                   +0 :               0.00001548426621
                3s
                   +0 :              -0.00000245912746
                2p
                   -1 :              -0.00001742602607
                   +0 :              -0.00000009661165
                   +1 :               0.00001240498320
                3p
                   -1 :               0.00000789235539
                   +0 :              -0.00004167780843
                   +1 :               0.00000637564265
                3d
                   -2 :               0.00000231665765
                   -1 :              -0.00000149161662
                   +0 :              -0.00000065088290
                   +1 :              -0.00000030295582
                   +2 :              -0.00000488944341
             14 vec=   -15.769871      5.868490     -4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00000007272532
                2s
                   +0 :               0.00001083914901
                3s
                   +0 :               0.00001542332536
                2p
                   -1 :              -0.00003439085070
                   +0 :              -0.00005394305838
                   +1 :               0.00000386654269
                3p
                   -1 :               0.00004332712753
                   +0 :               0.00001766313114
                   +1 :              -0.00004663264199
                3d
                   -2 :              -0.00000468389673
                   -1 :               0.00000080406613
                   +0 :              -0.00000036420631
                   +1 :              -0.00000269586685
                   +2 :              -0.00000097426588
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 14)  npairs=  14
              1 vec=     2.802933      1.376611     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00124825051611
                2s
                   +0 :               0.00764609288702
                3s
                   +0 :               0.00353562353980
                2p
                   -1 :              -0.00180298101655
                   +0 :              -0.01170157534489
                   +1 :               0.00145789600068
                3p
                   -1 :              -0.00064023322506
                   +0 :               0.00093480242978
                   +1 :               0.00791484111485
                3d
                   -2 :              -0.00016698373484
                   -1 :               0.00027144311612
                   +0 :              -0.00016024549813
                   +1 :              -0.00130765781374
                   +2 :               0.00089709662259
              2 vec=    -4.977229     -3.115268     -4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00064996316486
                2s
                   +0 :              -0.00688009795765
                3s
                   +0 :               0.00287867402972
                2p
                   -1 :               0.00770348828905
                   +0 :               0.00767765064158
                   +1 :               0.00766247065191
                3p
                   -1 :              -0.00663153776035
                   +0 :              -0.00506077875588
                   +1 :              -0.00504071744022
                3d
                   -2 :               0.00056138521913
                   -1 :               0.00048654778983
                   +0 :               0.00026261017373
                   +1 :               0.00053393695633
                   +2 :               0.00017592620967
              3 vec=    -4.977229      5.868490     -4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00019255480832
                2s
                   +0 :               0.00093188888827
                3s
                   +0 :              -0.00046781733698
                2p
                   -1 :              -0.00085424764030
                   +0 :              -0.00412671532831
                   +1 :              -0.00138932313560
                3p
                   -1 :               0.00022429302584
                   +0 :               0.00086568523083
                   +1 :               0.00028347142592
                3d
                   -2 :               0.00003210776882
                   -1 :               0.00011529138578
                   +0 :               0.00022056606947
                   +1 :               0.00010043759032
                   +2 :              -0.00000971422054
              4 vec=     2.802933     -7.607147     -4.091257   |vec|=    9.080942
                1s
                   +0 :               0.00004855878462
                2s
                   +0 :               0.00011998130481
                3s
                   +0 :              -0.00028237309118
                2p
                   -1 :               0.00087936582695
                   +0 :               0.00215757456458
                   +1 :               0.00169078477010
                3p
                   -1 :              -0.00032674483529
                   +0 :              -0.00024896284804
                   +1 :              -0.00158469888640
                3d
                   -2 :               0.00002597837956
                   -1 :              -0.00006746816653
                   +0 :              -0.00003617085820
                   +1 :              -0.00004360662350
                   +2 :               0.00005138874452
              5 vec=     2.802933     10.360369     -4.091257   |vec|=   11.486169
                1s
                   +0 :               0.00023822558240
                2s
                   +0 :              -0.00109510179866
                3s
                   +0 :               0.00087081385773
                2p
                   -1 :              -0.00067719016428
                   +0 :              -0.00069423114054
                   +1 :              -0.00072697394620
                3p
                   -1 :               0.00103753837988
                   +0 :               0.00009815349875
                   +1 :               0.00076597760812
                3d
                   -2 :               0.00005586350944
                   -1 :               0.00002534792375
                   +0 :               0.00001410471339
                   +1 :               0.00003337571233
                   +2 :              -0.00003572664309
              6 vec=    10.583096     -3.115268     -4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00004744055868
                2s
                   +0 :               0.00042758016875
                3s
                   +0 :              -0.00021517180985
                2p
                   -1 :              -0.00016443518473
                   +0 :               0.00022739340930
                   +1 :               0.00000611575177
                3p
                   -1 :              -0.00000475517111
                   +0 :              -0.00015860511841
                   +1 :              -0.00009435624659
                3d
                   -2 :               0.00001042104876
                   -1 :              -0.00000119495835
                   +0 :               0.00004171726567
                   +1 :               0.00000024024227
                   +2 :              -0.00004998890801
              7 vec=    10.583096      5.868490     -4.091257   |vec|=   12.774172
                1s
                   +0 :               0.00005649337065
                2s
                   +0 :              -0.00011507290891
                3s
                   +0 :               0.00023829515002
                2p
                   -1 :               0.00005569557557
                   +0 :              -0.00020598777352
                   +1 :              -0.00035835922431
                3p
                   -1 :               0.00008083847616
                   +0 :               0.00000287687666
                   +1 :               0.00041473923498
                3d
                   -2 :               0.00000826257697
                   -1 :              -0.00002420472268
                   +0 :              -0.00000877644936
                   +1 :               0.00000239568106
                   +2 :              -0.00000328806923
              8 vec=   -12.757392      1.376611     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00002679810848
                2s
                   +0 :              -0.00007098903237
                3s
                   +0 :               0.00001808564054
                2p
                   -1 :               0.00022710900773
                   +0 :               0.00005713364186
                   +1 :              -0.00011209413236
                3p
                   -1 :              -0.00024341808392
                   +0 :              -0.00001625861838
                   +1 :               0.00005938202340
                3d
                   -2 :               0.00003477014634
                   -1 :               0.00001068273556
                   +0 :               0.00000464204978
                   +1 :              -0.00001180686212
                   +2 :               0.00000397452850
              9 vec=    -4.977229    -12.099026     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00004425263234
                2s
                   +0 :              -0.00017022324906
                3s
                   +0 :              -0.00018698822173
                2p
                   -1 :               0.00053758142469
                   +0 :               0.00006183235141
                   +1 :               0.00036511990785
                3p
                   -1 :              -0.00036096507352
                   +0 :               0.00004202397157
                   +1 :              -0.00030706136596
                3d
                   -2 :               0.00002345127739
                   -1 :               0.00002435036226
                   +0 :              -0.00001612126723
                   +1 :               0.00000162701289
                   +2 :               0.00000288067878
             10 vec=   -12.757392     -7.607147     -4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00002136959834
                2s
                   +0 :               0.00010104689833
                3s
                   +0 :              -0.00011275069243
                2p
                   -1 :              -0.00001670755370
                   +0 :              -0.00007334173728
                   +1 :              -0.00012580601370
                3p
                   -1 :               0.00000578698253
                   +0 :               0.00009227623202
                   +1 :               0.00016070807518
                3d
                   -2 :              -0.00000407597083
                   -1 :               0.00000080792248
                   +0 :               0.00000608021869
                   +1 :              -0.00001896032772
                   +2 :              -0.00001395858739
             11 vec=    -4.977229     14.852248     -4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000881555120
                2s
                   +0 :               0.00010558289786
                3s
                   +0 :               0.00003833534189
                2p
                   -1 :               0.00005847927533
                   +0 :              -0.00000854326472
                   +1 :               0.00005861410418
                3p
                   -1 :               0.00009740893746
                   +0 :              -0.00006846931562
                   +1 :              -0.00009934699472
                3d
                   -2 :              -0.00002301612817
                   -1 :              -0.00001446305180
                   +0 :              -0.00001252921849
                   +1 :              -0.00000411670283
                   +2 :              -0.00001387368720
             12 vec=    10.583096    -12.099026     -4.091257   |vec|=   16.586945
                1s
                   +0 :               0.00000368923207
                2s
                   +0 :              -0.00006450341107
                3s
                   +0 :               0.00002190837999
                2p
                   -1 :               0.00000113659172
                   +0 :              -0.00005551655896
                   +1 :              -0.00007916227001
                3p
                   -1 :               0.00002671831885
                   +0 :               0.00005459779927
                   +1 :               0.00001084959226
                3d
                   -2 :               0.00000511997497
                   -1 :               0.00000378564035
                   +0 :              -0.00000160059411
                   +1 :              -0.00000627159974
                   +2 :               0.00001239011535
             13 vec=   -12.757392     10.360369     -4.091257   |vec|=   16.935958
                1s
                   +0 :              -0.00002329959733
                2s
                   +0 :               0.00016110019838
                3s
                   +0 :              -0.00005909519881
                2p
                   -1 :               0.00005428284913
                   +0 :               0.00008282721107
                   +1 :              -0.00007362916794
                3p
                   -1 :              -0.00003441042881
                   +0 :              -0.00003567872242
                   +1 :               0.00003496663241
                3d
                   -2 :               0.00000064966918
                   -1 :               0.00000040630338
                   +0 :               0.00000053374227
                   +1 :              -0.00000557321442
                   +2 :              -0.00000490485671
             14 vec=     2.802933    -16.590905     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00002183723573
                2s
                   +0 :              -0.00018979808076
                3s
                   +0 :               0.00005620293319
                2p
                   -1 :               0.00015511826603
                   +0 :               0.00005371417134
                   +1 :               0.00007857583445
                3p
                   -1 :              -0.00007417781106
                   +0 :              -0.00005234209770
                   +1 :              -0.00006491789832
                3d
                   -2 :              -0.00000014729480
                   -1 :               0.00000344703724
                   +0 :               0.00000134138265
                   +1 :               0.00000523544030
                   +2 :               0.00000331709126
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 15)  npairs=  14
              1 vec=    -2.593388      1.013667     -4.091257   |vec|=    4.948895
                1s
                   +0 :              -0.00011888120488
                2s
                   +0 :               0.01450766016555
                3s
                   +0 :               0.00004077564452
                2p
                   -1 :              -0.00689104465654
                   +0 :              -0.01410644463011
                   +1 :              -0.00496712223195
                3p
                   -1 :              -0.00051753573890
                   +0 :               0.00406670037476
                   +1 :              -0.00385890101263
                3d
                   -2 :               0.00042776783875
                   -1 :               0.00106827870753
                   +0 :              -0.00012715677605
                   +1 :               0.00061238723507
                   +2 :               0.00118644533829
              2 vec=     5.186775     -3.478212     -4.091257   |vec|=    7.465854
                1s
                   +0 :              -0.00027386088630
                2s
                   +0 :               0.00157947690283
                3s
                   +0 :              -0.00086946583659
                2p
                   -1 :              -0.00078034470003
                   +0 :              -0.00208248391450
                   +1 :              -0.00333455236892
                3p
                   -1 :               0.00092189012674
                   +0 :               0.00247550404048
                   +1 :               0.00204340835438
                3d
                   -2 :              -0.00010905046622
                   -1 :               0.00020079646979
                   +0 :              -0.00018528301308
                   +1 :              -0.00014361511525
                   +2 :               0.00011840248597
              3 vec=     5.186775      5.505546     -4.091257   |vec|=    8.599538
                1s
                   +0 :              -0.00052997154290
                2s
                   +0 :               0.00272704318418
                3s
                   +0 :              -0.00127443601659
                2p
                   -1 :               0.00143212146168
                   +0 :              -0.00218786189630
                   +1 :               0.00264189313926
                3p
                   -1 :              -0.00139349254812
                   +0 :              -0.00038030456501
                   +1 :              -0.00162039595573
                3d
                   -2 :              -0.00023645858523
                   -1 :               0.00018051526345
                   +0 :               0.00026027857272
                   +1 :               0.00001000700217
                   +2 :              -0.00001426484558
              4 vec=    -2.593388     -7.970091     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00050024657266
                2s
                   +0 :              -0.00289824445188
                3s
                   +0 :               0.00098751572096
                2p
                   -1 :               0.00110362866699
                   +0 :               0.00187217106142
                   +1 :              -0.00001032631755
                3p
                   -1 :               0.00015183784783
                   +0 :              -0.00038357036007
                   +1 :               0.00012523087735
                3d
                   -2 :               0.00002103161835
                   -1 :               0.00006330994369
                   +0 :              -0.00010211739217
                   +1 :               0.00016672876767
                   +2 :              -0.00008780422894
              5 vec=    -2.593388      9.997425     -4.091257   |vec|=   11.109120
                1s
                   +0 :               0.00010247824323
                2s
                   +0 :               0.00011720317148
                3s
                   +0 :               0.00025557231483
                2p
                   -1 :               0.00157293349956
                   +0 :              -0.00030215418997
                   +1 :              -0.00091442060309
                3p
                   -1 :              -0.00086832080433
                   +0 :              -0.00006230046693
                   +1 :               0.00073631100964
                3d
                   -2 :               0.00006830970088
                   -1 :              -0.00001940505115
                   +0 :               0.00010726678821
                   +1 :              -0.00000151577929
                   +2 :               0.00004643034057
              6 vec=   -10.373550     -3.478212     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00001713079657
                2s
                   +0 :              -0.00015996746755
                3s
                   +0 :              -0.00004287530104
                2p
                   -1 :               0.00013600058144
                   +0 :               0.00011296010572
                   +1 :               0.00029948498170
                3p
                   -1 :              -0.00017114563201
                   +0 :              -0.00010107622095
                   +1 :              -0.00012514732302
                3d
                   -2 :              -0.00002551716930
                   -1 :               0.00002024739800
                   +0 :               0.00002257009800
                   +1 :              -0.00004509795602
                   +2 :              -0.00008022369229
              7 vec=   -10.373550      5.505546     -4.091257   |vec|=   12.436236
                1s
                   +0 :              -0.00001961380563
                2s
                   +0 :               0.00044870788022
                3s
                   +0 :               0.00000186705795
                2p
                   -1 :               0.00009033727004
                   +0 :              -0.00041826142060
                   +1 :              -0.00019919421271
                3p
                   -1 :               0.00002121897770
                   +0 :               0.00019913153511
                   +1 :               0.00010250177689
                3d
                   -2 :              -0.00001552686222
                   -1 :              -0.00001475040089
                   +0 :              -0.00001141172251
                   +1 :              -0.00001901920159
                   +2 :              -0.00001308220315
              8 vec=    12.966938      1.013667     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00002688345360
                2s
                   +0 :               0.00017535615276
                3s
                   +0 :              -0.00004273747666
                2p
                   -1 :               0.00005135829414
                   +0 :               0.00020504901044
                   +1 :               0.00021089816752
                3p
                   -1 :              -0.00015027418286
                   +0 :              -0.00019310864671
                   +1 :              -0.00001253330605
                3d
                   -2 :              -0.00001295069887
                   -1 :               0.00001191303753
                   +0 :              -0.00001455745692
                   +1 :              -0.00000976435196
                   +2 :               0.00002608034412
              9 vec=     5.186775    -12.461970     -4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00007869571694
                2s
                   +0 :              -0.00070812548181
                3s
                   +0 :               0.00019303813189
                2p
                   -1 :               0.00037419978416
                   +0 :               0.00021866608953
                   +1 :               0.00003193396672
                3p
                   -1 :              -0.00011290352964
                   +0 :               0.00002449112618
                   +1 :              -0.00005320638753
                3d
                   -2 :              -0.00000250793898
                   -1 :               0.00001236962307
                   +0 :              -0.00000961920272
                   +1 :               0.00000735611155
                   +2 :              -0.00002190327136
             10 vec=    12.966938     -7.970091     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000001259332
                2s
                   +0 :              -0.00000866116428
                3s
                   +0 :               0.00000220204156
                2p
                   -1 :              -0.00009300120363
                   +0 :               0.00012619186172
                   +1 :              -0.00001205857863
                3p
                   -1 :               0.00003642346392
                   +0 :              -0.00007641614944
                   +1 :              -0.00000005852546
                3d
                   -2 :               0.00000601287269
                   -1 :              -0.00000384194336
                   +0 :              -0.00000188024816
                   +1 :              -0.00000611754630
                   +2 :              -0.00000319372150
             11 vec=     5.186775     14.489304     -4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00007490087041
                2s
                   +0 :               0.00051865189471
                3s
                   +0 :              -0.00020479329565
                2p
                   -1 :               0.00027383596932
                   +0 :              -0.00015009721648
                   +1 :               0.00002106253408
                3p
                   -1 :              -0.00010923201065
                   +0 :               0.00012371109420
                   +1 :               0.00004198197859
                3d
                   -2 :               0.00000750255158
                   -1 :               0.00001827577406
                   +0 :              -0.00001792953571
                   +1 :              -0.00000098674195
                   +2 :              -0.00000162170004
             12 vec=   -10.373550    -12.461970     -4.091257   |vec|=   16.722728
                1s
                   +0 :               0.00002739595724
                2s
                   +0 :              -0.00021569794802
                3s
                   +0 :               0.00006768555480
                2p
                   -1 :               0.00033466895902
                   +0 :               0.00005484580450
                   +1 :               0.00017170191682
                3p
                   -1 :              -0.00026049274984
                   +0 :              -0.00004471509248
                   +1 :              -0.00009060176270
                3d
                   -2 :               0.00001754601069
                   -1 :               0.00000843406533
                   +0 :              -0.00000867520099
                   +1 :              -0.00000045760534
                   +2 :              -0.00000586588639
             13 vec=    12.966938      9.997425     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000986306350
                2s
                   +0 :               0.00006994010922
                3s
                   +0 :              -0.00000998138461
                2p
                   -1 :               0.00001136771732
                   +0 :              -0.00004854355218
                   +1 :              -0.00001993589508
                3p
                   -1 :               0.00004359383084
                   +0 :               0.00003464122438
                   +1 :               0.00004467410578
                3d
                   -2 :              -0.00000421073951
                   -1 :               0.00000472216140
                   +0 :               0.00000014494965
                   +1 :               0.00000417560339
                   +2 :               0.00000163061769
             14 vec=    -2.593388    -16.953849     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000341342779
                2s
                   +0 :              -0.00002854675158
                3s
                   +0 :              -0.00000214733865
                2p
                   -1 :               0.00004996874539
                   +0 :               0.00001245631974
                   +1 :              -0.00002395043095
                3p
                   -1 :               0.00002353775134
                   +0 :               0.00003275592448
                   +1 :               0.00001081598938
                3d
                   -2 :               0.00000699717232
                   -1 :               0.00000157330723
                   +0 :               0.00000389721863
                   +1 :               0.00000418847699
                   +2 :              -0.00000237230687
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 16)  npairs=  15
              1 vec=    -4.977229     -0.362644      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00046288210476
                2s
                   +0 :               0.00347437465060
                3s
                   +0 :              -0.00115418437336
                2p
                   -1 :              -0.00073473835147
                   +0 :               0.00291015407514
                   +1 :              -0.00081444542232
                3p
                   -1 :              -0.00020318352252
                   +0 :              -0.00096226104901
                   +1 :              -0.00015783045042
                3d
                   -2 :               0.00018847433078
                   -1 :              -0.00004865662946
                   +0 :               0.00003053293639
                   +1 :              -0.00006988396168
                   +2 :              -0.00000424589207
              2 vec=     2.802933      4.129235      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00009574423137
                2s
                   +0 :               0.00058212818344
                3s
                   +0 :              -0.00010511259474
                2p
                   -1 :              -0.00259091549407
                   +0 :               0.00100151820633
                   +1 :               0.00112072615783
                3p
                   -1 :               0.00220266873205
                   +0 :              -0.00083723425100
                   +1 :              -0.00137933228560
                3d
                   -2 :               0.00000435966575
                   -1 :               0.00018061583689
                   +0 :              -0.00000555436647
                   +1 :              -0.00015719821880
                   +2 :              -0.00000791072183
              3 vec=     2.802933     -4.854523      8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00035912642743
                2s
                   +0 :              -0.00305952748577
                3s
                   +0 :               0.00056372188155
                2p
                   -1 :               0.00162769958409
                   +0 :              -0.00154384720992
                   +1 :              -0.00303028353802
                3p
                   -1 :              -0.00085572046472
                   +0 :              -0.00048340778330
                   +1 :               0.00122739482990
                3d
                   -2 :               0.00001090967606
                   -1 :              -0.00009646489154
                   +0 :              -0.00007964687614
                   +1 :              -0.00007544951131
                   +2 :              -0.00011481943167
              4 vec=    -4.977229      8.621114      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00011964958378
                2s
                   +0 :               0.00104824399925
                3s
                   +0 :              -0.00040925501976
                2p
                   -1 :               0.00048962172411
                   +0 :               0.00031988704039
                   +1 :               0.00016394396842
                3p
                   -1 :              -0.00034870516513
                   +0 :              -0.00010133506422
                   +1 :              -0.00009285856152
                3d
                   -2 :               0.00003109809976
                   -1 :              -0.00003981472449
                   +0 :               0.00003049146463
                   +1 :               0.00000208053602
                   +2 :               0.00003711505882
              5 vec=    -4.977229     -9.346402      8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00005647599296
                2s
                   +0 :              -0.00080703890106
                3s
                   +0 :               0.00014342822623
                2p
                   -1 :               0.00032873622932
                   +0 :              -0.00042599466787
                   +1 :               0.00003698273883
                3p
                   -1 :              -0.00009075732362
                   +0 :               0.00020331281659
                   +1 :               0.00016170327574
                3d
                   -2 :              -0.00002527132358
                   -1 :              -0.00001483563765
                   +0 :               0.00001028129160
                   +1 :               0.00000063789785
                   +2 :              -0.00001623581407
              6 vec=    10.583096     -0.362644      8.182514   |vec|=   13.382338
                1s
                   +0 :               0.00004164521235
                2s
                   +0 :              -0.00016840144449
                3s
                   +0 :               0.00009356755207
                2p
                   -1 :               0.00023834985635
                   +0 :              -0.00014276877842
                   +1 :              -0.00004513085272
                3p
                   -1 :              -0.00025407734009
                   +0 :               0.00002376574116
                   +1 :               0.00005663507939
                3d
                   -2 :              -0.00001023439758
                   -1 :              -0.00005527705069
                   +0 :               0.00003290114001
                   +1 :              -0.00001214072097
                   +2 :               0.00000814141005
              7 vec=   -12.757392      4.129235      8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00003121869075
                2s
                   +0 :               0.00022958028652
                3s
                   +0 :              -0.00010889582910
                2p
                   -1 :               0.00010339195403
                   +0 :               0.00008731771841
                   +1 :              -0.00016348032632
                3p
                   -1 :              -0.00010820616778
                   +0 :              -0.00009770524392
                   +1 :               0.00006270813746
                3d
                   -2 :               0.00000778977769
                   -1 :              -0.00001037833253
                   +0 :              -0.00000753142602
                   +1 :               0.00000284766904
                   +2 :               0.00000722351797
              8 vec=     2.802933     13.112993      8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00000196550105
                2s
                   +0 :               0.00005455073324
                3s
                   +0 :               0.00003416752382
                2p
                   -1 :              -0.00006657252042
                   +0 :               0.00002500722313
                   +1 :               0.00003585362594
                3p
                   -1 :               0.00015273352790
                   +0 :               0.00009146369913
                   +1 :              -0.00003418789640
                3d
                   -2 :               0.00001411474859
                   -1 :               0.00000412686063
                   +0 :               0.00000155444998
                   +1 :               0.00002187659022
                   +2 :               0.00001215885051
              9 vec=   -12.757392     -4.854523      8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00001985551236
                2s
                   +0 :               0.00009303625708
                3s
                   +0 :              -0.00007450183882
                2p
                   -1 :              -0.00003413393092
                   +0 :               0.00000064063914
                   +1 :              -0.00003697996611
                3p
                   -1 :               0.00003710335035
                   +0 :               0.00000541731079
                   +1 :               0.00006169175682
                3d
                   -2 :              -0.00000149397329
                   -1 :               0.00000159265310
                   +0 :              -0.00000135201820
                   +1 :              -0.00000115534572
                   +2 :              -0.00000364686412
             10 vec=    10.583096      8.621114      8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00002686129374
                2s
                   +0 :               0.00021281201930
                3s
                   +0 :              -0.00005485508882
                2p
                   -1 :              -0.00003287095911
                   +0 :               0.00003800304953
                   +1 :               0.00021881832155
                3p
                   -1 :               0.00003974194368
                   +0 :               0.00006539879509
                   +1 :              -0.00013874935471
                3d
                   -2 :              -0.00000614814029
                   -1 :               0.00001207369057
                   +0 :               0.00000107385488
                   +1 :               0.00000638686550
                   +2 :              -0.00001178525977
             11 vec=     2.802933    -13.838281      8.182514   |vec|=   16.318946
                1s
                   +0 :               0.00001806257655
                2s
                   +0 :              -0.00016377136973
                3s
                   +0 :               0.00003632036207
                2p
                   -1 :               0.00019526102512
                   +0 :              -0.00013648544096
                   +1 :              -0.00010532795184
                3p
                   -1 :              -0.00007491512192
                   +0 :               0.00005946183530
                   +1 :               0.00008395656619
                3d
                   -2 :              -0.00000347338371
                   -1 :              -0.00000717219674
                   +0 :               0.00000125907085
                   +1 :               0.00000741630584
                   +2 :              -0.00000347821322
             12 vec=    10.583096     -9.346402      8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00000218935965
                2s
                   +0 :              -0.00003756688193
                3s
                   +0 :              -0.00001619055791
                2p
                   -1 :              -0.00003964662282
                   +0 :               0.00004785715275
                   +1 :              -0.00011221871143
                3p
                   -1 :               0.00005155733383
                   +0 :              -0.00007697011946
                   +1 :               0.00004218991613
                3d
                   -2 :              -0.00000434999345
                   -1 :               0.00000530737100
                   +0 :              -0.00000461215461
                   +1 :               0.00000278809274
                   +2 :              -0.00000060885594
             13 vec=    -4.977229     -0.362644    -16.365028   |vec|=   17.109017
                1s
                   +0 :              -0.00002302455060
                2s
                   +0 :               0.00015739759462
                3s
                   +0 :              -0.00006478170154
                2p
                   -1 :              -0.00003256738509
                   +0 :              -0.00007280405006
                   +1 :               0.00003585678782
                3p
                   -1 :              -0.00002236762411
                   +0 :               0.00007147286191
                   +1 :               0.00000092143757
                3d
                   -2 :               0.00000039935204
                   -1 :               0.00000612457498
                   +0 :              -0.00000854370798
                   +1 :              -0.00000272142344
                   +2 :               0.00000202318219
             14 vec=     2.802933      4.129235    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00001236439947
                2s
                   +0 :              -0.00006526614566
                3s
                   +0 :               0.00004992420439
                2p
                   -1 :              -0.00013216328371
                   +0 :               0.00008495909790
                   +1 :               0.00006336387409
                3p
                   -1 :               0.00009095633706
                   +0 :              -0.00007646966127
                   +1 :              -0.00002469341414
                3d
                   -2 :               0.00000062795079
                   -1 :              -0.00000347861113
                   +0 :              -0.00000085366852
                   +1 :               0.00000347300999
                   +2 :               0.00000030084812
             15 vec=     2.802933     -4.854523    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00000909216296
                2s
                   +0 :              -0.00005394345516
                3s
                   +0 :               0.00001765736174
                2p
                   -1 :              -0.00005541098385
                   +0 :               0.00009554786540
                   +1 :              -0.00013031297737
                3p
                   -1 :               0.00002755807405
                   +0 :              -0.00007370876673
                   +1 :               0.00009600162741
                3d
                   -2 :              -0.00000223386381
                   -1 :              -0.00000222801788
                   +0 :               0.00000116051087
                   +1 :              -0.00000459984390
                   +2 :               0.00000554476927
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 17)  npairs=  14
              1 vec=    -0.209546     -0.362644      8.182514   |vec|=    8.193226
                1s
                   +0 :               0.00020141254918
                2s
                   +0 :              -0.00121717922198
                3s
                   +0 :               0.00027914970963
                2p
                   -1 :              -0.00260458871665
                   +0 :              -0.00200855422596
                   +1 :               0.00220382876076
                3p
                   -1 :               0.00112045301647
                   +0 :               0.00110733841642
                   +1 :              -0.00187705328853
                3d
                   -2 :              -0.00002326883271
                   -1 :               0.00008551522897
                   +0 :               0.00004434916830
                   +1 :              -0.00010470980822
                   +2 :               0.00008525307135
              2 vec=     7.570617      4.129235      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00007945838187
                2s
                   +0 :              -0.00024141397316
                3s
                   +0 :               0.00038265511383
                2p
                   -1 :              -0.00036039750090
                   +0 :               0.00015277960354
                   +1 :              -0.00029372237410
                3p
                   -1 :               0.00006708531375
                   +0 :               0.00021565971522
                   +1 :               0.00052761969342
                3d
                   -2 :              -0.00002482337042
                   -1 :              -0.00003951929525
                   +0 :              -0.00001747280887
                   +1 :               0.00005214257044
                   +2 :               0.00005174209811
              3 vec=    -0.209546      8.621114      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00012511870127
                2s
                   +0 :              -0.00071297450891
                3s
                   +0 :               0.00033681424605
                2p
                   -1 :               0.00152567166807
                   +0 :              -0.00059893098167
                   +1 :               0.00000768076775
                3p
                   -1 :              -0.00144618529152
                   +0 :               0.00037732278431
                   +1 :               0.00003085227042
                3d
                   -2 :               0.00002448773916
                   -1 :              -0.00007418432652
                   +0 :               0.00003046671272
                   +1 :               0.00007291546402
                   +2 :               0.00010489300506
              4 vec=     7.570617     -4.854523      8.182514   |vec|=   12.158708
                1s
                   +0 :              -0.00019749084509
                2s
                   +0 :               0.00105030754968
                3s
                   +0 :              -0.00075588182995
                2p
                   -1 :               0.00002469769475
                   +0 :               0.00066327443141
                   +1 :               0.00086251377068
                3p
                   -1 :              -0.00011005952331
                   +0 :              -0.00058522130017
                   +1 :              -0.00103129810641
                3d
                   -2 :               0.00002496420194
                   -1 :               0.00001762826182
                   +0 :              -0.00004534330145
                   +1 :              -0.00014295126698
                   +2 :              -0.00010132037601
              5 vec=    -7.989708      4.129235      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00006913621655
                2s
                   +0 :               0.00064234744881
                3s
                   +0 :              -0.00008720232280
                2p
                   -1 :               0.00030142291040
                   +0 :               0.00027113972594
                   +1 :              -0.00067468011200
                3p
                   -1 :              -0.00046996567066
                   +0 :              -0.00003074184951
                   +1 :               0.00026163820345
                3d
                   -2 :               0.00000145168213
                   -1 :              -0.00001788715374
                   +0 :               0.00001222800967
                   +1 :              -0.00000447538570
                   +2 :               0.00006242453836
              6 vec=    -0.209546     -9.346402      8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00006251077388
                2s
                   +0 :              -0.00087177606894
                3s
                   +0 :               0.00011748034923
                2p
                   -1 :               0.00068344470591
                   +0 :              -0.00050669857072
                   +1 :               0.00016011504258
                3p
                   -1 :              -0.00029125350448
                   +0 :              -0.00001448103011
                   +1 :              -0.00014128598384
                3d
                   -2 :               0.00000954345622
                   -1 :               0.00002218544175
                   +0 :              -0.00004546089242
                   +1 :              -0.00003475615557
                   +2 :              -0.00003018618790
              7 vec=    -7.989708     -4.854523      8.182514   |vec|=   12.423984
                1s
                   +0 :               0.00001652550400
                2s
                   +0 :              -0.00017193940392
                3s
                   +0 :               0.00005654263499
                2p
                   -1 :              -0.00032669846954
                   +0 :              -0.00049770960083
                   +1 :               0.00056946295963
                3p
                   -1 :               0.00017934042805
                   +0 :               0.00040308496323
                   +1 :              -0.00034468925979
                3d
                   -2 :              -0.00000260813743
                   -1 :               0.00000801641850
                   +0 :               0.00001083068239
                   +1 :              -0.00003739486771
                   +2 :               0.00000756552077
              8 vec=    -0.209546     -0.362644    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000250748838
                2s
                   +0 :               0.00004956915789
                3s
                   +0 :              -0.00001143936049
                2p
                   -1 :               0.00002997440955
                   +0 :              -0.00002851394665
                   +1 :               0.00006368445487
                3p
                   -1 :              -0.00005162482066
                   +0 :               0.00001169865610
                   +1 :              -0.00003905234376
                3d
                   -2 :              -0.00000009914416
                   -1 :               0.00000527386955
                   +0 :               0.00000157849162
                   +1 :               0.00000195275794
                   +2 :               0.00000219274999
              9 vec=     7.570617     13.112993      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00000642562755
                2s
                   +0 :              -0.00000457319685
                3s
                   +0 :               0.00006729002746
                2p
                   -1 :               0.00009408171212
                   +0 :               0.00009004648376
                   +1 :              -0.00007440726272
                3p
                   -1 :              -0.00000696762035
                   +0 :              -0.00003390587146
                   +1 :               0.00007779101963
                3d
                   -2 :               0.00000609286979
                   -1 :              -0.00000250830443
                   +0 :              -0.00000423497694
                   +1 :               0.00000264929739
                   +2 :               0.00000159618132
             10 vec=    15.350780     -0.362644      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00000907401382
                2s
                   +0 :               0.00007231820430
                3s
                   +0 :              -0.00002579902522
                2p
                   -1 :              -0.00013145390710
                   +0 :               0.00005993485271
                   +1 :               0.00004720798565
                3p
                   -1 :               0.00009503815303
                   +0 :              -0.00003735297774
                   +1 :              -0.00002804790586
                3d
                   -2 :               0.00000986814361
                   -1 :               0.00000194740182
                   +0 :               0.00000189108878
                   +1 :              -0.00001090903212
                   +2 :              -0.00000623068602
             11 vec=    -7.989708     13.112993      8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000163260555
                2s
                   +0 :               0.00004248319593
                3s
                   +0 :               0.00001733907656
                2p
                   -1 :               0.00002043812043
                   +0 :               0.00006356573963
                   +1 :               0.00008635508925
                3p
                   -1 :               0.00004620220207
                   +0 :               0.00000502145429
                   +1 :              -0.00010296364318
                3d
                   -2 :              -0.00000692531592
                   -1 :               0.00000379350428
                   +0 :              -0.00000405150871
                   +1 :               0.00000331353151
                   +2 :              -0.00000430003004
             12 vec=     7.570617    -13.838281      8.182514   |vec|=   17.769800
                1s
                   +0 :               0.00000234945609
                2s
                   +0 :              -0.00002988484574
                3s
                   +0 :              -0.00002422960426
                2p
                   -1 :               0.00002812133009
                   +0 :               0.00001419251254
                   +1 :               0.00010092861926
                3p
                   -1 :               0.00001815783431
                   +0 :              -0.00004347775567
                   +1 :              -0.00012858708614
                3d
                   -2 :               0.00000932076095
                   -1 :               0.00000253253745
                   +0 :              -0.00000896622334
                   +1 :              -0.00000792312424
                   +2 :              -0.00000200901625
             13 vec=   -15.769871     -0.362644      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001698445335
                2s
                   +0 :               0.00010671672979
                3s
                   +0 :              -0.00005328551949
                2p
                   -1 :              -0.00000647077159
                   +0 :               0.00000691816401
                   +1 :              -0.00002793145668
                3p
                   -1 :              -0.00001210448235
                   +0 :               0.00000707033642
                   +1 :               0.00001624566918
                3d
                   -2 :              -0.00000098119106
                   -1 :              -0.00000052613473
                   +0 :               0.00000387730859
                   +1 :               0.00000270382275
                   +2 :              -0.00000284864282
             14 vec=    -7.989708    -13.838281      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00001493590982
                2s
                   +0 :              -0.00013138396151
                3s
                   +0 :               0.00003733258522
                2p
                   -1 :               0.00005071870217
                   +0 :              -0.00004664570451
                   +1 :               0.00008937348212
                3p
                   -1 :              -0.00000491846452
                   +0 :               0.00001758135092
                   +1 :              -0.00002761361569
                3d
                   -2 :              -0.00000125580390
                   -1 :              -0.00000151129025
                   +0 :              -0.00000116139262
                   +1 :              -0.00000162096500
                   +2 :              -0.00000202357037
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 18)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :               0.00028350806975
                2s
                   +0 :              -0.00228204846409
                3s
                   +0 :               0.00027038371743
                2p
                   -1 :               0.00005495815267
                   +0 :              -0.00251445007931
                   +1 :               0.00109895602267
                3p
                   -1 :               0.00022315796156
                   +0 :               0.00025720124329
                   +1 :               0.00075284540341
                3d
                   -2 :              -0.00010831392439
                   -1 :               0.00001545577257
                   +0 :               0.00000185664652
                   +1 :               0.00027851027695
                   +2 :              -0.00007275869651
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00018266772250
                2s
                   +0 :               0.00192953533187
                3s
                   +0 :              -0.00012390063510
                2p
                   -1 :               0.00010008289143
                   +0 :               0.00169729364354
                   +1 :               0.00039614577505
                3p
                   -1 :              -0.00043683952785
                   +0 :               0.00023405915649
                   +1 :               0.00057478564140
                3d
                   -2 :              -0.00007610731614
                   -1 :               0.00004869613114
                   +0 :               0.00008948135183
                   +1 :               0.00019360927288
                   +2 :               0.00002092269009
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00001591360690
                2s
                   +0 :               0.00033778255032
                3s
                   +0 :               0.00010753235434
                2p
                   -1 :              -0.00114290080609
                   +0 :               0.00015685422587
                   +1 :              -0.00040250613725
                3p
                   -1 :               0.00133226513090
                   +0 :               0.00029797895590
                   +1 :               0.00089078453156
                3d
                   -2 :               0.00006237658865
                   -1 :               0.00018611294611
                   +0 :              -0.00006154770007
                   +1 :               0.00003983766130
                   +2 :              -0.00000934781923
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00002084636269
                2s
                   +0 :              -0.00037753986530
                3s
                   +0 :              -0.00007956196350
                2p
                   -1 :               0.00037841863412
                   +0 :              -0.00043085225498
                   +1 :              -0.00044429026567
                3p
                   -1 :              -0.00018871536957
                   +0 :               0.00038215894518
                   +1 :               0.00018110831019
                3d
                   -2 :               0.00000015465018
                   -1 :              -0.00002829546426
                   +0 :               0.00004823287373
                   +1 :               0.00000334234386
                   +2 :               0.00001680918173
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00001178514382
                2s
                   +0 :              -0.00000576791707
                3s
                   +0 :               0.00006769247695
                2p
                   -1 :              -0.00023902028768
                   +0 :              -0.00007222858016
                   +1 :               0.00020375907762
                3p
                   -1 :               0.00019153320891
                   +0 :               0.00001008608789
                   +1 :              -0.00020425762031
                3d
                   -2 :               0.00002184374692
                   -1 :              -0.00001436311472
                   +0 :               0.00000192995267
                   +1 :              -0.00000544832557
                   +2 :               0.00002197752503
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00002310411863
                2s
                   +0 :               0.00027472905909
                3s
                   +0 :               0.00002364528926
                2p
                   -1 :               0.00058297583712
                   +0 :               0.00007775588966
                   +1 :              -0.00048825741884
                3p
                   -1 :              -0.00039954217255
                   +0 :               0.00017515415653
                   +1 :               0.00040601040244
                3d
                   -2 :              -0.00004588944734
                   -1 :               0.00000070875798
                   +0 :               0.00004009684272
                   +1 :              -0.00001439335604
                   +2 :               0.00002095671762
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00001184602833
                2s
                   +0 :               0.00001790437770
                3s
                   +0 :              -0.00006148884675
                2p
                   -1 :               0.00006469422402
                   +0 :              -0.00005498308615
                   +1 :               0.00000231644265
                3p
                   -1 :              -0.00000005859282
                   +0 :               0.00000164380181
                   +1 :              -0.00000380748309
                3d
                   -2 :              -0.00000454375032
                   -1 :              -0.00000070554288
                   +0 :               0.00000194353595
                   +1 :               0.00000571254272
                   +2 :               0.00000181545480
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000546496347
                2s
                   +0 :              -0.00005740673531
                3s
                   +0 :               0.00001226324122
                2p
                   -1 :              -0.00007945743528
                   +0 :              -0.00005974722535
                   +1 :               0.00005528300070
                3p
                   -1 :               0.00006411859293
                   +0 :               0.00001213591779
                   +1 :              -0.00001878279936
                3d
                   -2 :              -0.00000090719977
                   -1 :               0.00000243553560
                   +0 :              -0.00000098562924
                   +1 :               0.00000110032004
                   +2 :               0.00000471437107
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000696907086
                2s
                   +0 :              -0.00007145090522
                3s
                   +0 :               0.00001950866301
                2p
                   -1 :               0.00001913612437
                   +0 :              -0.00005682556144
                   +1 :              -0.00008636995093
                3p
                   -1 :              -0.00004077726099
                   +0 :               0.00003773002926
                   +1 :               0.00002187474205
                3d
                   -2 :               0.00001188927877
                   -1 :              -0.00001455338504
                   +0 :              -0.00001008605354
                   +1 :               0.00000286118906
                   +2 :               0.00001012452731
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000683254912
                2s
                   +0 :               0.00003351424431
                3s
                   +0 :               0.00002411176244
                2p
                   -1 :               0.00009287435851
                   +0 :              -0.00006511122328
                   +1 :               0.00016407871205
                3p
                   -1 :              -0.00009044295530
                   +0 :               0.00006292622558
                   +1 :              -0.00010361462618
                3d
                   -2 :               0.00000111755652
                   -1 :               0.00000593660404
                   +0 :               0.00001226039322
                   +1 :               0.00000721144789
                   +2 :              -0.00001126936304
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001381986362
                2s
                   +0 :              -0.00002936385193
                3s
                   +0 :               0.00004474855843
                2p
                   -1 :              -0.00015713476775
                   +0 :               0.00018620419802
                   +1 :              -0.00002517232736
                3p
                   -1 :               0.00013627182078
                   +0 :              -0.00007278327777
                   +1 :              -0.00002295149040
                3d
                   -2 :               0.00000183945325
                   -1 :              -0.00000699198173
                   +0 :               0.00000427371688
                   +1 :              -0.00000491628297
                   +2 :              -0.00000619314454
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00002128763914
                2s
                   +0 :              -0.00010815886596
                3s
                   +0 :               0.00008996932485
                2p
                   -1 :              -0.00008198053894
                   +0 :               0.00030899064977
                   +1 :               0.00015896877889
                3p
                   -1 :               0.00012483887863
                   +0 :              -0.00021555612428
                   +1 :              -0.00013105126971
                3d
                   -2 :              -0.00002097214634
                   -1 :              -0.00000108722079
                   +0 :              -0.00002711144462
                   +1 :              -0.00001766625063
                   +2 :              -0.00000843882865
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000687434365
                2s
                   +0 :              -0.00005308600764
                3s
                   +0 :               0.00001550956025
                2p
                   -1 :              -0.00007793488088
                   +0 :               0.00006714879336
                   +1 :               0.00013900125121
                3p
                   -1 :               0.00002111815062
                   +0 :              -0.00003571449839
                   +1 :              -0.00010246390264
                3d
                   -2 :               0.00000272698277
                   -1 :              -0.00000185691102
                   +0 :               0.00000375751578
                   +1 :               0.00000525469032
                   +2 :               0.00000702295759
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00001452990688
                2s
                   +0 :              -0.00010576182244
                3s
                   +0 :               0.00003253650236
                2p
                   -1 :              -0.00002845340963
                   +0 :               0.00005440470872
                   +1 :              -0.00000047765340
                3p
                   -1 :               0.00001010548140
                   +0 :              -0.00001121693358
                   +1 :              -0.00000149825036
                3d
                   -2 :              -0.00000435480645
                   -1 :              -0.00000031480232
                   +0 :              -0.00000412827407
                   +1 :               0.00000179349834
                   +2 :              -0.00000383795537
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001892727189
                2s
                   +0 :               0.00017597269735
                3s
                   +0 :              -0.00003715063336
                2p
                   -1 :              -0.00003800601081
                   +0 :              -0.00010728491757
                   +1 :              -0.00003656964775
                3p
                   -1 :               0.00001364914087
                   +0 :               0.00003907586598
                   +1 :               0.00000962694641
                3d
                   -2 :              -0.00000042628921
                   -1 :              -0.00000015053886
                   +0 :               0.00000052758974
                   +1 :               0.00000309778742
                   +2 :               0.00000028878082
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 19)  npairs=  14
              1 vec=    -2.802674      1.376461      4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00118391553505
                2s
                   +0 :               0.00877889520289
                3s
                   +0 :               0.00367486887030
                2p
                   -1 :              -0.00154247703918
                   +0 :               0.01061581686576
                   +1 :              -0.00057163036491
                3p
                   -1 :              -0.00133194200617
                   +0 :              -0.00110510342743
                   +1 :              -0.00785260654833
                3d
                   -2 :               0.00014412782612
                   -1 :              -0.00014885003631
                   +0 :              -0.00004143039547
                   +1 :              -0.00147009872214
                   +2 :               0.00089842136627
              2 vec=     4.977489     -3.115418      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00074198145637
                2s
                   +0 :              -0.00717793061252
                3s
                   +0 :               0.00321380792080
                2p
                   -1 :               0.00782270381660
                   +0 :              -0.00714646470254
                   +1 :              -0.00848532457507
                3p
                   -1 :              -0.00702460741234
                   +0 :               0.00463577928200
                   +1 :               0.00589490195892
                3d
                   -2 :              -0.00062249767204
                   -1 :              -0.00045506645682
                   +0 :               0.00020180625631
                   +1 :               0.00050440979014
                   +2 :               0.00019994637234
              3 vec=     4.977489      5.868340      4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00028108889285
                2s
                   +0 :               0.00161164467843
                3s
                   +0 :              -0.00063666939436
                2p
                   -1 :              -0.00079030474640
                   +0 :               0.00330414918480
                   +1 :               0.00200861439905
                3p
                   -1 :               0.00027482917991
                   +0 :              -0.00023556175868
                   +1 :              -0.00080388463779
                3d
                   -2 :              -0.00001340871601
                   -1 :              -0.00009189410456
                   +0 :               0.00022429057177
                   +1 :               0.00014340560966
                   +2 :              -0.00004808311403
              4 vec=    -2.802674     -7.607297      4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00013221968316
                2s
                   +0 :              -0.00056704542123
                3s
                   +0 :              -0.00006577548297
                2p
                   -1 :               0.00109620396194
                   +0 :              -0.00175349132847
                   +1 :              -0.00189873589696
                3p
                   -1 :              -0.00042399348974
                   +0 :              -0.00001977996970
                   +1 :               0.00171815386123
                3d
                   -2 :              -0.00003419948471
                   -1 :               0.00007891294116
                   +0 :              -0.00005488646690
                   +1 :              -0.00001408782379
                   +2 :               0.00005027960730
              5 vec=    -2.802674     10.360219      4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00022973616059
                2s
                   +0 :              -0.00098801130016
                3s
                   +0 :               0.00085324433394
                2p
                   -1 :              -0.00098617984783
                   +0 :               0.00048724508060
                   +1 :               0.00088156159479
                3p
                   -1 :               0.00127019352999
                   +0 :              -0.00000544202302
                   +1 :              -0.00086348065132
                3d
                   -2 :              -0.00007302759117
                   -1 :              -0.00001638621568
                   +0 :               0.00000712758973
                   +1 :               0.00003555621742
                   +2 :              -0.00003259882661
              6 vec=   -10.582837     -3.115418      4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00001577833986
                2s
                   +0 :               0.00014067122508
                3s
                   +0 :              -0.00015207228261
                2p
                   -1 :               0.00001441012216
                   +0 :              -0.00028053922148
                   +1 :              -0.00006802299212
                3p
                   -1 :              -0.00013866523974
                   +0 :               0.00023766836183
                   +1 :               0.00018258026907
                3d
                   -2 :              -0.00000981943799
                   -1 :               0.00000126608579
                   +0 :               0.00004891655597
                   +1 :              -0.00000186919974
                   +2 :              -0.00005099675839
              7 vec=   -10.582837      5.868340      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00005290892417
                2s
                   +0 :              -0.00006322629943
                3s
                   +0 :               0.00022083314540
                2p
                   -1 :               0.00001760423795
                   +0 :               0.00010452512424
                   +1 :               0.00065778232155
                3p
                   -1 :               0.00011168257485
                   +0 :               0.00001915999924
                   +1 :              -0.00060510594135
                3d
                   -2 :              -0.00001398010253
                   -1 :               0.00002822296236
                   +0 :              -0.00001120544722
                   +1 :              -0.00000016121362
                   +2 :              -0.00000521862351
              8 vec=    12.757651      1.376461      4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00005900665336
                2s
                   +0 :              -0.00024314451111
                3s
                   +0 :               0.00015716626372
                2p
                   -1 :               0.00046586095291
                   +0 :               0.00018447127578
                   +1 :              -0.00024472012364
                3p
                   -1 :              -0.00043019459064
                   +0 :              -0.00015168371145
                   +1 :               0.00030507863228
                3d
                   -2 :              -0.00005026417381
                   -1 :              -0.00000127440951
                   +0 :               0.00000309053824
                   +1 :              -0.00003556772092
                   +2 :               0.00001959582476
              9 vec=     4.977489    -12.099176      4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00003688431900
                2s
                   +0 :              -0.00022985964790
                3s
                   +0 :              -0.00015987714621
                2p
                   -1 :               0.00062193898411
                   +0 :              -0.00000082226908
                   +1 :              -0.00057635371482
                3p
                   -1 :              -0.00040178796399
                   +0 :              -0.00006883587724
                   +1 :               0.00044018665160
                3d
                   -2 :              -0.00002743671198
                   -1 :              -0.00003162452096
                   +0 :              -0.00002307334462
                   +1 :               0.00000227389384
                   +2 :               0.00001247014979
             10 vec=    12.757651     -7.607297      4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00002936297705
                2s
                   +0 :               0.00017467377621
                3s
                   +0 :              -0.00014600092496
                2p
                   -1 :              -0.00006767121627
                   +0 :              -0.00000963233041
                   +1 :               0.00015930878122
                3p
                   -1 :               0.00004495436371
                   +0 :              -0.00001989326799
                   +1 :              -0.00018383605366
                3d
                   -2 :               0.00000361016218
                   -1 :              -0.00000604226420
                   +0 :              -0.00000748584150
                   +1 :              -0.00001074058283
                   +2 :              -0.00001113471028
             11 vec=     4.977489     14.852098      4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00000356985698
                2s
                   +0 :               0.00003212831906
                3s
                   +0 :               0.00006225174167
                2p
                   -1 :              -0.00011264628246
                   +0 :               0.00005487959859
                   +1 :               0.00004692207954
                3p
                   -1 :               0.00023709927313
                   +0 :               0.00002932028069
                   +1 :              -0.00000012908291
                3d
                   -2 :               0.00001318986151
                   -1 :               0.00000958934675
                   +0 :              -0.00001594606266
                   +1 :              -0.00000119775129
                   +2 :              -0.00001632714741
             12 vec=   -10.582837    -12.099176      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00000730892148
                2s
                   +0 :              -0.00009836331078
                3s
                   +0 :               0.00002794332568
                2p
                   -1 :              -0.00000784962702
                   +0 :               0.00007462081973
                   +1 :               0.00003857832756
                3p
                   -1 :               0.00004425777191
                   +0 :              -0.00007592739871
                   +1 :               0.00001892287467
                3d
                   -2 :              -0.00000796821187
                   -1 :              -0.00000247469179
                   +0 :               0.00000031557270
                   +1 :              -0.00000588507945
                   +2 :               0.00001379201811
             13 vec=    12.757651     10.360219      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00002097524528
                2s
                   +0 :               0.00012846087817
                3s
                   +0 :              -0.00005355696431
                2p
                   -1 :               0.00008710313792
                   +0 :              -0.00008334364498
                   +1 :               0.00006692400900
                3p
                   -1 :              -0.00005708144851
                   +0 :               0.00005853866956
                   +1 :              -0.00002547715949
                3d
                   -2 :              -0.00000036996359
                   -1 :              -0.00000257142966
                   +0 :               0.00000096972969
                   +1 :               0.00000069693974
                   +2 :               0.00000183874228
             14 vec=    -2.802674    -16.591055      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00001653132065
                2s
                   +0 :              -0.00014293175123
                3s
                   +0 :               0.00004393710447
                2p
                   -1 :               0.00011480005549
                   +0 :              -0.00006405410106
                   +1 :              -0.00010337914970
                3p
                   -1 :              -0.00004573500785
                   +0 :               0.00003241447737
                   +1 :               0.00008345290519
                3d
                   -2 :              -0.00000083072439
                   -1 :              -0.00000204808554
                   +0 :              -0.00000005206067
                   +1 :               0.00000466514777
                   +2 :               0.00000570126161
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 20)  npairs=  14
              1 vec=     0.209286     -3.115418      4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00164530394358
                2s
                   +0 :              -0.04266475306473
                3s
                   +0 :               0.00257209548047
                2p
                   -1 :               0.01575043873872
                   +0 :              -0.02424611213043
                   +1 :               0.00347133215423
                3p
                   -1 :              -0.00278046927203
                   +0 :              -0.00128641961202
                   +1 :              -0.00298778731016
                3d
                   -2 :               0.00027635149180
                   -1 :               0.00189949542431
                   +0 :              -0.00181110265064
                   +1 :              -0.00053300942330
                   +2 :               0.00041916286098
              2 vec=     0.209286      5.868340      4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00168733909719
                2s
                   +0 :               0.01043818717291
                3s
                   +0 :              -0.00565296641114
                2p
                   -1 :               0.01058788599564
                   +0 :               0.00018363543904
                   +1 :              -0.00109960603212
                3p
                   -1 :              -0.00828080966915
                   +0 :               0.00068369536701
                   +1 :               0.00131335095890
                3d
                   -2 :               0.00011473392472
                   -1 :              -0.00025906536931
                   +0 :               0.00028253879507
                   +1 :              -0.00003821800003
                   +2 :               0.00054872141841
              3 vec=    -7.570876      1.376461      4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00017615141461
                2s
                   +0 :               0.00091665686104
                3s
                   +0 :              -0.00033166514447
                2p
                   -1 :               0.00051272137417
                   +0 :              -0.00253172137876
                   +1 :              -0.00244209450532
                3p
                   -1 :              -0.00062399527439
                   +0 :               0.00107327242298
                   +1 :               0.00104271232953
                3d
                   -2 :               0.00008659143540
                   -1 :              -0.00018830830952
                   +0 :              -0.00009672939676
                   +1 :               0.00004358959902
                   +2 :               0.00004311872819
              4 vec=     7.989449      1.376461      4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00000025103497
                2s
                   +0 :               0.00015439120601
                3s
                   +0 :              -0.00004167094567
                2p
                   -1 :              -0.00066712029443
                   +0 :              -0.00084457257711
                   +1 :               0.00355501780491
                3p
                   -1 :               0.00035603374746
                   +0 :               0.00008842057063
                   +1 :              -0.00284887086281
                3d
                   -2 :              -0.00000337669827
                   -1 :               0.00007314388331
                   +0 :               0.00000463070377
                   +1 :              -0.00007019983225
                   +2 :              -0.00007370961011
              5 vec=    -7.570876     -7.607297      4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00014759729297
                2s
                   +0 :              -0.00125943410444
                3s
                   +0 :               0.00052612734080
                2p
                   -1 :               0.00057507653587
                   +0 :              -0.00004563846910
                   +1 :               0.00114782995814
                3p
                   -1 :              -0.00036423563180
                   +0 :              -0.00014837337220
                   +1 :              -0.00080371167016
                3d
                   -2 :               0.00003122791845
                   -1 :               0.00006091718210
                   +0 :               0.00001925392803
                   +1 :              -0.00000591291864
                   +2 :               0.00004928367516
              6 vec=     7.989449     -7.607297      4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00001914493535
                2s
                   +0 :              -0.00015045790393
                3s
                   +0 :              -0.00005094120934
                2p
                   -1 :              -0.00068079489039
                   +0 :              -0.00014842190685
                   +1 :              -0.00014958853308
                3p
                   -1 :               0.00063072970785
                   +0 :               0.00002003465278
                   +1 :              -0.00007622698053
                3d
                   -2 :               0.00009295196276
                   -1 :              -0.00004247552189
                   +0 :               0.00001726904809
                   +1 :              -0.00001913577724
                   +2 :               0.00002749342320
              7 vec=     0.209286    -12.099176      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00003899305509
                2s
                   +0 :              -0.00076129029978
                3s
                   +0 :               0.00012602972396
                2p
                   -1 :               0.00013569200863
                   +0 :               0.00010901774617
                   +1 :               0.00036749266882
                3p
                   -1 :              -0.00003688975409
                   +0 :              -0.00013565654762
                   +1 :              -0.00024358016339
                3d
                   -2 :               0.00003464010378
                   -1 :               0.00000094618994
                   +0 :              -0.00002121094933
                   +1 :               0.00001811097418
                   +2 :              -0.00000475826193
              8 vec=    -7.570876     10.360219      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00001957708477
                2s
                   +0 :               0.00057313548052
                3s
                   +0 :               0.00002599184341
                2p
                   -1 :              -0.00025616993033
                   +0 :               0.00050975196870
                   +1 :              -0.00073253365656
                3p
                   -1 :               0.00018802182333
                   +0 :              -0.00005815100711
                   +1 :               0.00054545822518
                3d
                   -2 :               0.00000250712843
                   -1 :              -0.00000034172335
                   +0 :               0.00001824313451
                   +1 :              -0.00002040328117
                   +2 :              -0.00001961276388
              9 vec=     7.989449     10.360219      4.091257   |vec|=   13.707802
                1s
                   +0 :              -0.00006327325783
                2s
                   +0 :               0.00070697527977
                3s
                   +0 :              -0.00008372988698
                2p
                   -1 :               0.00010174272604
                   +0 :               0.00040140931201
                   +1 :              -0.00008940783893
                3p
                   -1 :              -0.00009173190555
                   +0 :              -0.00001990891386
                   +1 :               0.00022769476560
                3d
                   -2 :              -0.00001838824462
                   -1 :              -0.00002091295798
                   +0 :               0.00002222670684
                   +1 :               0.00003011292776
                   +2 :               0.00001332605441
             10 vec=     0.209286     14.852098      4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00003559501624
                2s
                   +0 :               0.00025791270443
                3s
                   +0 :              -0.00006103918062
                2p
                   -1 :               0.00016864476367
                   +0 :               0.00007750132407
                   +1 :               0.00007272060113
                3p
                   -1 :              -0.00003392839189
                   +0 :              -0.00002542867838
                   +1 :              -0.00005287016849
                3d
                   -2 :              -0.00001171927771
                   -1 :              -0.00000131505301
                   +0 :               0.00000362390034
                   +1 :              -0.00000223556369
                   +2 :              -0.00000899362411
             11 vec=   -15.351039     -3.115418      4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00001232012101
                2s
                   +0 :              -0.00010315406752
                3s
                   +0 :               0.00005412711323
                2p
                   -1 :              -0.00001495149160
                   +0 :              -0.00005795034616
                   +1 :               0.00007984849576
                3p
                   -1 :              -0.00000958762150
                   +0 :               0.00004862306693
                   +1 :              -0.00003658350190
                3d
                   -2 :               0.00000173860817
                   -1 :              -0.00000242030897
                   +0 :               0.00000785883943
                   +1 :              -0.00000739353531
                   +2 :              -0.00000167212783
             12 vec=    15.769612     -3.115418      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00000522209820
                2s
                   +0 :              -0.00002968108294
                3s
                   +0 :               0.00000984395800
                2p
                   -1 :              -0.00002847785662
                   +0 :               0.00003732281739
                   +1 :              -0.00005972031004
                3p
                   -1 :               0.00000836025666
                   +0 :              -0.00003947717690
                   +1 :               0.00002703444207
                3d
                   -2 :               0.00000686919357
                   -1 :              -0.00000009551433
                   +0 :               0.00000540030569
                   +1 :              -0.00000536223385
                   +2 :              -0.00000152409473
             13 vec=   -15.351039      5.868340      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00000829505587
                2s
                   +0 :               0.00005728171866
                3s
                   +0 :              -0.00000745518667
                2p
                   -1 :              -0.00004472122236
                   +0 :              -0.00001307306561
                   +1 :              -0.00008090941760
                3p
                   -1 :               0.00004044540570
                   +0 :               0.00002841904836
                   +1 :               0.00004404527121
                3d
                   -2 :              -0.00000730610004
                   -1 :              -0.00000179606168
                   +0 :               0.00000216353228
                   +1 :               0.00000314031723
                   +2 :              -0.00000400021398
             14 vec=    15.769612      5.868340      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000660659766
                2s
                   +0 :              -0.00000823814106
                3s
                   +0 :               0.00003239590017
                2p
                   -1 :              -0.00006887189892
                   +0 :               0.00001205500726
                   +1 :               0.00000262875783
                3p
                   -1 :               0.00008014867145
                   +0 :               0.00001014515145
                   +1 :               0.00002813419375
                3d
                   -2 :               0.00000779669740
                   -1 :               0.00000320481386
                   +0 :               0.00000214924451
                   +1 :              -0.00000231802918
                   +2 :              -0.00000201557636
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 21)  npairs=  14
              1 vec=     2.593388      1.013967      4.091257   |vec|=    4.948957
                1s
                   +0 :              -0.00018460024952
                2s
                   +0 :               0.01598125624479
                3s
                   +0 :               0.00017417715225
                2p
                   -1 :              -0.00607213843622
                   +0 :               0.01345572046815
                   +1 :               0.00503266193678
                3p
                   -1 :              -0.00047402102136
                   +0 :              -0.00435626332223
                   +1 :               0.00393760316940
                3d
                   -2 :              -0.00042161854503
                   -1 :              -0.00116048823675
                   +0 :              -0.00018713359177
                   +1 :               0.00057473097911
                   +2 :               0.00110852659558
              2 vec=    -5.186775     -3.477912      4.091257   |vec|=    7.465715
                1s
                   +0 :              -0.00020618784144
                2s
                   +0 :               0.00110287409016
                3s
                   +0 :              -0.00070236512859
                2p
                   -1 :              -0.00105009922135
                   +0 :               0.00239369362953
                   +1 :               0.00324607093357
                3p
                   -1 :               0.00122976622740
                   +0 :              -0.00279548133056
                   +1 :              -0.00195911565625
                3d
                   -2 :               0.00010151104071
                   -1 :              -0.00018253509953
                   +0 :              -0.00016513677812
                   +1 :              -0.00014225849378
                   +2 :               0.00011424438633
              3 vec=    -5.186775      5.505846      4.091257   |vec|=    8.599730
                1s
                   +0 :              -0.00049749812277
                2s
                   +0 :               0.00250568242915
                3s
                   +0 :              -0.00117113599961
                2p
                   -1 :               0.00096772491036
                   +0 :               0.00238380481659
                   +1 :              -0.00218819106537
                3p
                   -1 :              -0.00085248677633
                   +0 :              -0.00009846083633
                   +1 :               0.00129200233593
                3d
                   -2 :               0.00019568557259
                   -1 :              -0.00024486681315
                   +0 :               0.00029671259223
                   +1 :               0.00005885049109
                   +2 :              -0.00005512687853
              4 vec=     2.593388     -7.969791      4.091257   |vec|=    9.326393
                1s
                   +0 :               0.00056759065052
                2s
                   +0 :              -0.00342521005981
                3s
                   +0 :               0.00113470832347
                2p
                   -1 :               0.00063331890883
                   +0 :              -0.00181332522310
                   +1 :              -0.00029188527563
                3p
                   -1 :               0.00039982376194
                   +0 :               0.00051374580858
                   +1 :               0.00007385316384
                3d
                   -2 :              -0.00002316472492
                   -1 :              -0.00004330398217
                   +0 :              -0.00010949501827
                   +1 :               0.00015179699582
                   +2 :              -0.00007261761681
              5 vec=     2.593388      9.997725      4.091257   |vec|=   11.109390
                1s
                   +0 :               0.00011736606189
                2s
                   +0 :              -0.00001795645465
                3s
                   +0 :               0.00027409404277
                2p
                   -1 :               0.00122986665149
                   +0 :               0.00086903407368
                   +1 :               0.00107161120821
                3p
                   -1 :              -0.00071044541842
                   +0 :              -0.00027231607407
                   +1 :              -0.00088528747179
                3d
                   -2 :              -0.00007974615552
                   -1 :               0.00001988821541
                   +0 :               0.00017690658514
                   +1 :               0.00001896425293
                   +2 :               0.00008146215382
              6 vec=    10.373550     -3.477912      4.091257   |vec|=   11.680959
                1s
                   +0 :               0.00001616715107
                2s
                   +0 :              -0.00012066961368
                3s
                   +0 :              -0.00001176868285
                2p
                   -1 :               0.00002215022517
                   +0 :               0.00003279554259
                   +1 :              -0.00017225204494
                3p
                   -1 :              -0.00004457217153
                   +0 :              -0.00003078355081
                   +1 :               0.00003935984134
                3d
                   -2 :               0.00003464018253
                   -1 :              -0.00004054533348
                   +0 :               0.00002774735086
                   +1 :              -0.00006216702482
                   +2 :              -0.00009365047458
              7 vec=    10.373550      5.505846      4.091257   |vec|=   12.436369
                1s
                   +0 :               0.00001268372085
                2s
                   +0 :               0.00022521864398
                3s
                   +0 :               0.00013829204091
                2p
                   -1 :              -0.00020739253434
                   +0 :               0.00055042890427
                   +1 :               0.00010007105425
                3p
                   -1 :               0.00030255928622
                   +0 :              -0.00026110768667
                   +1 :              -0.00003196663926
                3d
                   -2 :               0.00001903739915
                   -1 :              -0.00001211598620
                   +0 :              -0.00002831611025
                   +1 :              -0.00001729339164
                   +2 :              -0.00003076166916
              8 vec=   -12.966938      1.013967      4.091257   |vec|=   13.634808
                1s
                   +0 :              -0.00003627986469
                2s
                   +0 :               0.00024333683609
                3s
                   +0 :              -0.00005816232752
                2p
                   -1 :              -0.00008929345347
                   +0 :              -0.00030137007587
                   +1 :              -0.00029994347089
                3p
                   -1 :              -0.00003915927732
                   +0 :               0.00023622679833
                   +1 :               0.00007115479778
                3d
                   -2 :               0.00001254611270
                   -1 :              -0.00002283764609
                   +0 :              -0.00001432457838
                   +1 :              -0.00001099779413
                   +2 :               0.00002848463607
              9 vec=    -5.186775    -12.461670      4.091257   |vec|=   14.104405
                1s
                   +0 :               0.00008993539600
                2s
                   +0 :              -0.00081950296448
                3s
                   +0 :               0.00019930284771
                2p
                   -1 :               0.00033828976125
                   +0 :              -0.00017876152031
                   +1 :              -0.00010040339359
                3p
                   -1 :              -0.00010048179717
                   +0 :              -0.00001303852356
                   +1 :               0.00010045647062
                3d
                   -2 :               0.00000125597487
                   -1 :              -0.00000602674607
                   +0 :              -0.00001020218714
                   +1 :               0.00000911438661
                   +2 :              -0.00001778115880
             10 vec=   -12.966938     -7.969791      4.091257   |vec|=   15.760629
                1s
                   +0 :               0.00000732245225
                2s
                   +0 :              -0.00007169725243
                3s
                   +0 :               0.00001525775212
                2p
                   -1 :              -0.00007920822404
                   +0 :              -0.00011421764542
                   +1 :               0.00005934183161
                3p
                   -1 :               0.00004763667272
                   +0 :               0.00005857824605
                   +1 :              -0.00003136629149
                3d
                   -2 :              -0.00000970805178
                   -1 :               0.00000452200897
                   +0 :               0.00000037141298
                   +1 :              -0.00000408515602
                   +2 :              -0.00000574933512
             11 vec=    -5.186775     14.489604      4.091257   |vec|=   15.924498
                1s
                   +0 :              -0.00009019532641
                2s
                   +0 :               0.00059414155389
                3s
                   +0 :              -0.00026519724542
                2p
                   -1 :               0.00040893550841
                   +0 :               0.00016023306557
                   +1 :              -0.00006233286788
                3p
                   -1 :              -0.00023172560180
                   +0 :              -0.00009574284144
                   +1 :              -0.00003022906758
                3d
                   -2 :              -0.00000580651649
                   -1 :              -0.00001244171485
                   +0 :              -0.00001688181124
                   +1 :              -0.00000449792322
                   +2 :               0.00000846498030
             12 vec=    10.373550    -12.461670      4.091257   |vec|=   16.722504
                1s
                   +0 :               0.00002126188349
                2s
                   +0 :              -0.00015261431268
                3s
                   +0 :               0.00006554093412
                2p
                   -1 :               0.00031709567055
                   +0 :              -0.00005623147377
                   +1 :              -0.00015612823285
                3p
                   -1 :              -0.00027466964531
                   +0 :               0.00004203105899
                   +1 :               0.00009642481901
                3d
                   -2 :              -0.00001396562147
                   -1 :              -0.00001191739029
                   +0 :              -0.00000602132632
                   +1 :              -0.00000394269066
                   +2 :              -0.00000901328300
             13 vec=   -12.966938      9.997725      4.091257   |vec|=   16.877036
                1s
                   +0 :              -0.00002350879187
                2s
                   +0 :               0.00015693807879
                3s
                   +0 :              -0.00006578620927
                2p
                   -1 :               0.00008336606131
                   +0 :               0.00003727136865
                   +1 :               0.00000721187564
                3p
                   -1 :              -0.00002868880792
                   +0 :              -0.00001779385436
                   +1 :              -0.00003815625163
                3d
                   -2 :               0.00000729738469
                   -1 :              -0.00000386273391
                   +0 :              -0.00000327670971
                   +1 :               0.00000487857951
                   +2 :               0.00000687994465
             14 vec=     2.593388    -16.953549      4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00001218393644
                2s
                   +0 :              -0.00008347250379
                3s
                   +0 :               0.00001772814489
                2p
                   -1 :               0.00002544918186
                   +0 :              -0.00001402321821
                   +1 :               0.00001866493093
                3p
                   -1 :               0.00002254252358
                   +0 :              -0.00001016241130
                   +1 :              -0.00000511714337
                3d
                   -2 :              -0.00000720067802
                   -1 :               0.00000113709423
                   +0 :               0.00000233828899
                   +1 :               0.00000475954410
                   +2 :              -0.00000202489044
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 22)  npairs=  14
              1 vec=     0.209805     -0.362794     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00007275367179
                2s
                   +0 :              -0.00039851650564
                3s
                   +0 :              -0.00006864492519
                2p
                   -1 :              -0.00142661051904
                   +0 :               0.00154869441535
                   +1 :              -0.00230562566903
                3p
                   -1 :               0.00040764966750
                   +0 :              -0.00089064058608
                   +1 :               0.00182716100592
                3d
                   -2 :               0.00005785527526
                   -1 :              -0.00014448613494
                   +0 :               0.00002709031112
                   +1 :              -0.00007637302490
                   +2 :               0.00011914964720
              2 vec=    -7.570358      4.129085     -8.182514   |vec|=   11.887523
                1s
                   +0 :              -0.00001172450769
                2s
                   +0 :               0.00045943707821
                3s
                   +0 :               0.00013275866041
                2p
                   -1 :              -0.00028504517288
                   +0 :              -0.00018325601896
                   +1 :              -0.00009734344518
                3p
                   -1 :               0.00015676573907
                   +0 :              -0.00014164543371
                   +1 :              -0.00029407222940
                3d
                   -2 :              -0.00001093385498
                   -1 :               0.00005693618849
                   +0 :              -0.00002857057671
                   +1 :               0.00004380680409
                   +2 :               0.00000802159133
              3 vec=     0.209805      8.620964     -8.182514   |vec|=   11.887749
                1s
                   +0 :               0.00015676209803
                2s
                   +0 :              -0.00091758490192
                3s
                   +0 :               0.00053772037698
                2p
                   -1 :               0.00058489046529
                   +0 :               0.00060908963065
                   +1 :               0.00040428273451
                3p
                   -1 :              -0.00056682079866
                   +0 :              -0.00029683270008
                   +1 :              -0.00032805307150
                3d
                   -2 :               0.00004575391278
                   -1 :               0.00006362478616
                   +0 :               0.00003979098375
                   +1 :               0.00002486673040
                   +2 :               0.00004113409264
              4 vec=    -7.570358     -4.854673     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00019089898847
                2s
                   +0 :               0.00101292023602
                3s
                   +0 :              -0.00074673646126
                2p
                   -1 :               0.00004975396858
                   +0 :              -0.00083070370099
                   +1 :              -0.00039691369868
                3p
                   -1 :              -0.00014112880943
                   +0 :               0.00076863982859
                   +1 :               0.00065977003582
                3d
                   -2 :              -0.00003180008562
                   -1 :              -0.00002324956174
                   +0 :              -0.00004853407159
                   +1 :              -0.00015549346321
                   +2 :              -0.00006990313151
              5 vec=     7.989968      4.129085     -8.182514   |vec|=   12.159049
                1s
                   +0 :               0.00007997822323
                2s
                   +0 :              -0.00067830965908
                3s
                   +0 :               0.00027370528519
                2p
                   -1 :              -0.00061318001680
                   +0 :               0.00026020401717
                   +1 :              -0.00024776728805
                3p
                   -1 :               0.00051396736883
                   +0 :              -0.00039811175927
                   +1 :               0.00007842010806
                3d
                   -2 :               0.00005348109670
                   -1 :              -0.00002572459119
                   +0 :               0.00004721507110
                   +1 :              -0.00000097198422
                   +2 :              -0.00006488091881
              6 vec=     0.209805     -9.346552     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00008220321572
                2s
                   +0 :              -0.00105028496392
                3s
                   +0 :               0.00011572827922
                2p
                   -1 :               0.00076672684010
                   +0 :               0.00027525585997
                   +1 :              -0.00015454868148
                3p
                   -1 :              -0.00028995198790
                   +0 :               0.00016843602963
                   +1 :               0.00010840242712
                3d
                   -2 :               0.00000277863003
                   -1 :              -0.00001986985043
                   +0 :              -0.00004383945639
                   +1 :              -0.00003983419700
                   +2 :              -0.00001281827943
              7 vec=     7.989968     -4.854673     -8.182514   |vec|=   12.424209
                1s
                   +0 :              -0.00000281169730
                2s
                   +0 :               0.00000392907613
                3s
                   +0 :               0.00000485775416
                2p
                   -1 :              -0.00015628809482
                   +0 :               0.00001371737662
                   +1 :              -0.00010943185039
                3p
                   -1 :               0.00008629715051
                   +0 :              -0.00003797563164
                   +1 :               0.00007724780432
                3d
                   -2 :              -0.00000026862300
                   -1 :               0.00000832569620
                   +0 :              -0.00000409057906
                   +1 :              -0.00000228715110
                   +2 :               0.00000988828527
              8 vec=     0.209805     -0.362794     16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00000467928535
                2s
                   +0 :              -0.00001769427306
                3s
                   +0 :               0.00000803212149
                2p
                   -1 :              -0.00002334031494
                   +0 :               0.00003260263936
                   +1 :               0.00001077043079
                3p
                   -1 :               0.00000603638842
                   +0 :              -0.00003102427608
                   +1 :              -0.00002124120266
                3d
                   -2 :              -0.00000410056416
                   -1 :              -0.00000063243472
                   +0 :              -0.00000107425635
                   +1 :               0.00000073162722
                   +2 :              -0.00000120456942
              9 vec=    -7.570358     13.112843     -8.182514   |vec|=   17.210767
                1s
                   +0 :              -0.00000993422881
                2s
                   +0 :               0.00011548959134
                3s
                   +0 :              -0.00002182278716
                2p
                   -1 :               0.00017976794340
                   +0 :              -0.00016091390603
                   +1 :               0.00001163478844
                3p
                   -1 :              -0.00015027647322
                   +0 :               0.00010722014479
                   +1 :               0.00003183798771
                3d
                   -2 :               0.00000766106143
                   -1 :              -0.00000042175957
                   +0 :               0.00000601332893
                   +1 :              -0.00000174005205
                   +2 :               0.00000324305657
             10 vec=   -15.350520     -0.362794     -8.182514   |vec|=   17.398955
                1s
                   +0 :              -0.00000416163640
                2s
                   +0 :               0.00007026211787
                3s
                   +0 :              -0.00000283034191
                2p
                   -1 :              -0.00008363697406
                   +0 :              -0.00001385671135
                   +1 :              -0.00008768779016
                3p
                   -1 :               0.00005686143850
                   +0 :               0.00000956779551
                   +1 :               0.00000869122906
                3d
                   -2 :              -0.00000517960008
                   -1 :              -0.00000250547385
                   +0 :               0.00000353222703
                   +1 :              -0.00000301417280
                   +2 :              -0.00000116393936
             11 vec=     7.989968     13.112843     -8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00001003529152
                2s
                   +0 :               0.00006058803493
                3s
                   +0 :              -0.00003178587327
                2p
                   -1 :              -0.00004358043796
                   +0 :              -0.00007192133519
                   +1 :               0.00008050636086
                3p
                   -1 :               0.00004129052464
                   +0 :               0.00000735450534
                   +1 :              -0.00007518139893
                3d
                   -2 :              -0.00000962843948
                   -1 :              -0.00000084970978
                   +0 :               0.00000849271420
                   +1 :               0.00001103915516
                   +2 :              -0.00001150805634
             12 vec=    -7.570358    -13.838431     -8.182514   |vec|=   17.769807
                1s
                   +0 :               0.00000645729289
                2s
                   +0 :              -0.00009495871074
                3s
                   +0 :              -0.00002358875339
                2p
                   -1 :               0.00009144185938
                   +0 :              -0.00000900445378
                   +1 :               0.00002564063506
                3p
                   -1 :               0.00002725327667
                   +0 :               0.00004975407342
                   +1 :               0.00004044060023
                3d
                   -2 :              -0.00001023745659
                   -1 :              -0.00000566740057
                   +0 :              -0.00000591450656
                   +1 :              -0.00001239572789
                   +2 :               0.00000536538762
             13 vec=    15.770130     -0.362794     -8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00000889370918
                2s
                   +0 :               0.00007478578477
                3s
                   +0 :              -0.00003062700306
                2p
                   -1 :               0.00009232457938
                   +0 :              -0.00006010755903
                   +1 :               0.00011048970801
                3p
                   -1 :              -0.00003726986518
                   +0 :               0.00003329720759
                   +1 :              -0.00003881300450
                3d
                   -2 :               0.00000191334012
                   -1 :               0.00000158347575
                   +0 :              -0.00000118370787
                   +1 :               0.00000570590742
                   +2 :               0.00000074566386
             14 vec=     7.989968    -13.838431     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000830537516
                2s
                   +0 :              -0.00010152040372
                3s
                   +0 :               0.00001467775955
                2p
                   -1 :               0.00000984313629
                   +0 :               0.00006319865975
                   +1 :              -0.00010794235406
                3p
                   -1 :               0.00000083344857
                   +0 :              -0.00003748451097
                   +1 :               0.00003078673787
                3d
                   -2 :               0.00000085427119
                   -1 :               0.00000280058830
                   +0 :              -0.00000048471567
                   +1 :              -0.00000075188580
                   +2 :              -0.00000037714992
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 23)  npairs=  15
              1 vec=     4.976970     -0.362794     -8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00045059567886
                2s
                   +0 :               0.00338581137821
                3s
                   +0 :              -0.00127917221318
                2p
                   -1 :              -0.00046233501870
                   +0 :              -0.00195863878991
                   +1 :               0.00144833652128
                3p
                   -1 :              -0.00024166088171
                   +0 :               0.00064455696769
                   +1 :              -0.00078661369639
                3d
                   -2 :              -0.00006961828978
                   -1 :              -0.00001345574618
                   +0 :              -0.00000239412654
                   +1 :              -0.00002761265581
                   +2 :               0.00001075760612
              2 vec=    -2.803193      4.129085     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00006907611630
                2s
                   +0 :              -0.00025846681936
                3s
                   +0 :               0.00033038220746
                2p
                   -1 :              -0.00118726375146
                   +0 :              -0.00023478697758
                   +1 :              -0.00080488574477
                3p
                   -1 :               0.00086453341289
                   +0 :               0.00019436958268
                   +1 :               0.00095106359128
                3d
                   -2 :              -0.00000687230273
                   -1 :              -0.00014610567800
                   +0 :              -0.00001506577109
                   +1 :              -0.00011073958514
                   +2 :               0.00002789909651
              3 vec=    -2.803193     -4.854673     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00032778362909
                2s
                   +0 :              -0.00320855167626
                3s
                   +0 :               0.00042585496674
                2p
                   -1 :               0.00106473260726
                   +0 :               0.00019279032555
                   +1 :               0.00192258385238
                3p
                   -1 :              -0.00031062754849
                   +0 :               0.00133672623159
                   +1 :              -0.00037423414958
                3d
                   -2 :              -0.00004292161235
                   -1 :               0.00005996437970
                   +0 :              -0.00006233852548
                   +1 :              -0.00006204783524
                   +2 :              -0.00007600467154
              4 vec=     4.976970      8.620964     -8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00004067122992
                2s
                   +0 :               0.00058432006972
                3s
                   +0 :              -0.00009732507224
                2p
                   -1 :               0.00029741744036
                   +0 :              -0.00022588578475
                   +1 :              -0.00027429441902
                3p
                   -1 :              -0.00016964172490
                   +0 :               0.00001096591970
                   +1 :               0.00021898506023
                3d
                   -2 :              -0.00001286157888
                   -1 :               0.00002503291556
                   +0 :               0.00001525190608
                   +1 :               0.00000223526038
                   +2 :               0.00002536358756
              5 vec=     4.976970     -9.346552     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00008197616160
                2s
                   +0 :              -0.00089242651183
                3s
                   +0 :               0.00020557978123
                2p
                   -1 :               0.00043881636698
                   +0 :               0.00030946336314
                   +1 :               0.00008788595169
                3p
                   -1 :              -0.00022418052623
                   +0 :              -0.00011822517707
                   +1 :              -0.00020264163310
                3d
                   -2 :               0.00001626392614
                   -1 :               0.00001157588184
                   +0 :              -0.00000879076270
                   +1 :              -0.00000029852101
                   +2 :              -0.00004115877436
              6 vec=   -10.583355     -0.362794     -8.182514   |vec|=   13.382547
                1s
                   +0 :              -0.00003446637013
                2s
                   +0 :               0.00035241430443
                3s
                   +0 :              -0.00013332314448
                2p
                   -1 :              -0.00006814519159
                   +0 :              -0.00008331977872
                   +1 :              -0.00030446804002
                3p
                   -1 :              -0.00000559875213
                   +0 :               0.00020584724246
                   +1 :               0.00016531774538
                3d
                   -2 :               0.00000784808863
                   -1 :               0.00001594470173
                   +0 :               0.00002748227805
                   +1 :              -0.00001701117593
                   +2 :               0.00001716302760
              7 vec=    12.757133      4.129085     -8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00001937089346
                2s
                   +0 :              -0.00022104624438
                3s
                   +0 :               0.00003035328997
                2p
                   -1 :              -0.00010599020799
                   +0 :              -0.00011102287884
                   +1 :              -0.00023823881821
                3p
                   -1 :               0.00004680711506
                   +0 :               0.00005131275183
                   +1 :               0.00011287901521
                3d
                   -2 :               0.00000824650334
                   -1 :               0.00001155272310
                   +0 :              -0.00000155110972
                   +1 :              -0.00000358115736
                   +2 :              -0.00000104607112
              8 vec=    -2.803193     13.112843     -8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00000101836456
                2s
                   +0 :               0.00004087500243
                3s
                   +0 :               0.00011582248487
                2p
                   -1 :              -0.00001303965102
                   +0 :               0.00014063225625
                   +1 :               0.00015450492020
                3p
                   -1 :               0.00019142125647
                   +0 :              -0.00024941226958
                   +1 :              -0.00014618725030
                3d
                   -2 :              -0.00002409776640
                   -1 :              -0.00004483922655
                   +0 :              -0.00000579604015
                   +1 :               0.00000401789916
                   +2 :              -0.00002588936916
              9 vec=    12.757133     -4.854673     -8.182514   |vec|=   15.914328
                1s
                   +0 :              -0.00001479757170
                2s
                   +0 :               0.00010323492855
                3s
                   +0 :              -0.00005547055714
                2p
                   -1 :              -0.00000380354490
                   +0 :              -0.00005911186720
                   +1 :               0.00011753349225
                3p
                   -1 :               0.00003065393277
                   +0 :               0.00004998823403
                   +1 :              -0.00008733976080
                3d
                   -2 :               0.00000059028143
                   -1 :              -0.00000662836310
                   +0 :              -0.00000191897253
                   +1 :               0.00000312532164
                   +2 :               0.00000641525341
             10 vec=   -10.583355      8.620964     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00001081479400
                2s
                   +0 :               0.00016153542308
                3s
                   +0 :               0.00001452016088
                2p
                   -1 :               0.00010680098468
                   +0 :              -0.00010389159199
                   +1 :              -0.00010547711361
                3p
                   -1 :              -0.00004273091570
                   +0 :               0.00002043264649
                   +1 :               0.00000853024767
                3d
                   -2 :               0.00000927689571
                   -1 :              -0.00000363823920
                   +0 :              -0.00000369428985
                   +1 :               0.00000406525015
                   +2 :               0.00000528972114
             11 vec=    -2.803193    -13.838431     -8.182514   |vec|=   16.319118
                1s
                   +0 :               0.00000936122983
                2s
                   +0 :              -0.00010041771475
                3s
                   +0 :               0.00002857104950
                2p
                   -1 :              -0.00000152761575
                   +0 :              -0.00004503521580
                   +1 :              -0.00002429762078
                3p
                   -1 :              -0.00000272237736
                   +0 :               0.00006073990530
                   +1 :               0.00001829750955
                3d
                   -2 :               0.00000126796968
                   -1 :               0.00001070524317
                   +0 :              -0.00000957887773
                   +1 :               0.00000624735700
                   +2 :              -0.00002149152055
             12 vec=   -10.583355     -9.346552     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00002357263015
                2s
                   +0 :              -0.00021357781459
                3s
                   +0 :               0.00002021442222
                2p
                   -1 :               0.00003787348665
                   +0 :              -0.00002976203731
                   +1 :               0.00002520332802
                3p
                   -1 :               0.00000125497444
                   +0 :               0.00006525215901
                   +1 :               0.00008016143875
                3d
                   -2 :              -0.00000788139307
                   -1 :              -0.00000455650165
                   +0 :               0.00000174666363
                   +1 :              -0.00000042595291
                   +2 :               0.00000200127135
             13 vec=     4.976970     -0.362794     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000368489408
                2s
                   +0 :               0.00000671589008
                3s
                   +0 :              -0.00001254581266
                2p
                   -1 :              -0.00004838365565
                   +0 :              -0.00001081235746
                   +1 :              -0.00003297182574
                3p
                   -1 :              -0.00000385019467
                   +0 :              -0.00003517319184
                   +1 :               0.00001917503484
                3d
                   -2 :               0.00000355139093
                   -1 :              -0.00000297517710
                   +0 :              -0.00001058624326
                   +1 :              -0.00000262809349
                   +2 :              -0.00000067409936
             14 vec=    -2.803193      4.129085     16.365028   |vec|=   17.109102
                1s
                   +0 :               0.00001045975768
                2s
                   +0 :              -0.00007018586517
                3s
                   +0 :               0.00003152456301
                2p
                   -1 :              -0.00012458252130
                   +0 :              -0.00010466265055
                   +1 :              -0.00005416793551
                3p
                   -1 :               0.00007589987912
                   +0 :               0.00005961590261
                   +1 :               0.00002219531399
                3d
                   -2 :               0.00000307015646
                   -1 :               0.00000317376064
                   +0 :              -0.00000507648478
                   +1 :               0.00000558852753
                   +2 :               0.00000114100341
             15 vec=    -2.803193     -4.854673     16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000542444400
                2s
                   +0 :               0.00000149364857
                3s
                   +0 :               0.00001104650276
                2p
                   -1 :              -0.00009699390637
                   +0 :              -0.00004075550283
                   +1 :               0.00007769879334
                3p
                   -1 :               0.00005036320208
                   +0 :               0.00004413731904
                   +1 :              -0.00004957314821
                3d
                   -2 :               0.00000229161867
                   -1 :               0.00000250330290
                   +0 :               0.00000104625888
                   +1 :              -0.00000057062196
                   +2 :               0.00000355895665
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 24)  npairs=  15
              1 vec=     2.593388     -4.491280     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00022779580168
                2s
                   +0 :              -0.00181715192005
                3s
                   +0 :               0.00013383288363
                2p
                   -1 :              -0.00020726708741
                   +0 :               0.00237666327610
                   +1 :              -0.00126529576152
                3p
                   -1 :               0.00041172571325
                   +0 :              -0.00018948194932
                   +1 :              -0.00054511807702
                3d
                   -2 :               0.00004472843495
                   -1 :               0.00002472716018
                   +0 :              -0.00001556441747
                   +1 :               0.00024286647401
                   +2 :              -0.00003887017047
              2 vec=    -5.186775      0.000599     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00017035497175
                2s
                   +0 :               0.00241584201529
                3s
                   +0 :              -0.00002540027553
                2p
                   -1 :              -0.00010960855030
                   +0 :              -0.00135819913943
                   +1 :               0.00025718045736
                3p
                   -1 :              -0.00024554733396
                   +0 :              -0.00028671850170
                   +1 :              -0.00103566365643
                3d
                   -2 :              -0.00001983697283
                   -1 :              -0.00008327692243
                   +0 :               0.00000173484537
                   +1 :               0.00020385754081
                   +2 :               0.00006476009119
              3 vec=     2.593388      4.492478     -8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00021663334792
                2s
                   +0 :               0.00179860551174
                3s
                   +0 :              -0.00049464404947
                2p
                   -1 :               0.00010868457632
                   +0 :              -0.00124140207321
                   +1 :              -0.00078146497079
                3p
                   -1 :               0.00022156534678
                   +0 :               0.00074671606544
                   +1 :               0.00029308231033
                3d
                   -2 :              -0.00007382263332
                   -1 :              -0.00016562524317
                   +0 :              -0.00007079680518
                   +1 :               0.00005279822495
                   +2 :              -0.00004826223802
              4 vec=    -5.186775     -8.983159     -8.182514   |vec|=   13.211863
                1s
                   +0 :               0.00007202362122
                2s
                   +0 :              -0.00093617358943
                3s
                   +0 :               0.00014119662717
                2p
                   -1 :               0.00044056345691
                   +0 :               0.00024110357356
                   +1 :               0.00056823025720
                3p
                   -1 :              -0.00020210102012
                   +0 :              -0.00025967026081
                   +1 :              -0.00024636680157
                3d
                   -2 :              -0.00000614347852
                   -1 :               0.00001681313778
                   +0 :               0.00004942766685
                   +1 :              -0.00000158537050
                   +2 :               0.00000552458974
              5 vec=    10.373550      0.000599     -8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000878827311
                2s
                   +0 :              -0.00000498821024
                3s
                   +0 :               0.00002154208390
                2p
                   -1 :              -0.00000667385187
                   +0 :              -0.00017019420291
                   +1 :               0.00005741864358
                3p
                   -1 :               0.00003509239803
                   +0 :               0.00014145823322
                   +1 :               0.00005214544729
                3d
                   -2 :              -0.00000071203710
                   -1 :              -0.00000867171759
                   +0 :              -0.00000007707243
                   +1 :               0.00000375785402
                   +2 :               0.00001007153799
              6 vec=    -5.186775      8.984357     -8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00010962558923
                2s
                   +0 :               0.00097395528750
                3s
                   +0 :              -0.00040238065014
                2p
                   -1 :               0.00016479713721
                   +0 :              -0.00036892483431
                   +1 :              -0.00071919822271
                3p
                   -1 :              -0.00013145908686
                   +0 :               0.00016731243811
                   +1 :               0.00072791881354
                3d
                   -2 :               0.00008262045953
                   -1 :               0.00004340312866
                   +0 :               0.00005549357380
                   +1 :              -0.00007093677580
                   +2 :              -0.00007516429323
              7 vec=     2.593388    -13.475038     -8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00000239888790
                2s
                   +0 :              -0.00012108652632
                3s
                   +0 :              -0.00003025124114
                2p
                   -1 :               0.00015440500099
                   +0 :               0.00005759631671
                   +1 :              -0.00004595215506
                3p
                   -1 :              -0.00002666762953
                   +0 :              -0.00001827393349
                   +1 :              -0.00000525007748
                3d
                   -2 :               0.00000462870099
                   -1 :               0.00000247703335
                   +0 :               0.00000514042825
                   +1 :               0.00000566284094
                   +2 :               0.00000405538960
              8 vec=    10.373550     -8.983159     -8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00000974623040
                2s
                   +0 :              -0.00008673641141
                3s
                   +0 :               0.00002215707393
                2p
                   -1 :              -0.00003702092104
                   +0 :               0.00001574277635
                   +1 :              -0.00016001604877
                3p
                   -1 :               0.00002430473861
                   +0 :               0.00003089518190
                   +1 :               0.00007805197859
                3d
                   -2 :               0.00000017953944
                   -1 :              -0.00000480053251
                   +0 :              -0.00000060436551
                   +1 :               0.00000353509664
                   +2 :               0.00000337582058
              9 vec=   -12.966938     -4.491280     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00000761899187
                2s
                   +0 :              -0.00002260400066
                3s
                   +0 :               0.00001115432566
                2p
                   -1 :              -0.00017156292954
                   +0 :               0.00005242116011
                   +1 :              -0.00002225159873
                3p
                   -1 :               0.00012337773146
                   +0 :              -0.00002516366751
                   +1 :               0.00003332319004
                3d
                   -2 :              -0.00002182086020
                   -1 :               0.00000189136077
                   +0 :              -0.00001753550435
                   +1 :               0.00000586872119
                   +2 :              -0.00000195853549
             10 vec=   -12.966938      4.492478     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00003727753707
                2s
                   +0 :              -0.00020340435263
                3s
                   +0 :               0.00019072412287
                2p
                   -1 :               0.00001757092864
                   +0 :               0.00004130821287
                   +1 :               0.00021143341317
                3p
                   -1 :              -0.00001409749549
                   +0 :              -0.00005246092840
                   +1 :              -0.00021827964550
                3d
                   -2 :              -0.00003111342200
                   -1 :              -0.00002151351663
                   +0 :              -0.00001386443974
                   +1 :               0.00002021534295
                   +2 :               0.00001519104465
             11 vec=    10.373550      8.984357     -8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00000958142867
                2s
                   +0 :              -0.00003671490277
                3s
                   +0 :               0.00001682882849
                2p
                   -1 :              -0.00000425028261
                   +0 :              -0.00004755735045
                   +1 :               0.00009902623200
                3p
                   -1 :              -0.00004823107657
                   +0 :              -0.00007071517105
                   +1 :              -0.00001454584372
                3d
                   -2 :              -0.00001367285965
                   -1 :               0.00000091556896
                   +0 :               0.00001369944968
                   +1 :              -0.00000400421891
                   +2 :               0.00000694047791
             12 vec=     2.593388     13.476236     -8.182514   |vec|=   15.977739
                1s
                   +0 :               0.00000570776456
                2s
                   +0 :              -0.00001763757812
                3s
                   +0 :               0.00005197056725
                2p
                   -1 :              -0.00010868576477
                   +0 :              -0.00008593478971
                   +1 :              -0.00007429842160
                3p
                   -1 :               0.00013650474488
                   +0 :               0.00003727526888
                   +1 :               0.00006218292169
                3d
                   -2 :               0.00000826783079
                   -1 :              -0.00000834361987
                   +0 :              -0.00002145800363
                   +1 :              -0.00000706301470
                   +2 :              -0.00000657684409
             13 vec=     2.593388     -4.491280     16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00000503692636
                2s
                   +0 :              -0.00001016793907
                3s
                   +0 :               0.00002173718005
                2p
                   -1 :               0.00003875271309
                   +0 :              -0.00004142330616
                   +1 :              -0.00007904054813
                3p
                   -1 :              -0.00004775565067
                   +0 :               0.00002873800723
                   +1 :               0.00004900552599
                3d
                   -2 :               0.00000088690418
                   -1 :              -0.00000171478673
                   +0 :               0.00000021688137
                   +1 :              -0.00000045029099
                   +2 :              -0.00000002333277
             14 vec=    -5.186775      0.000599     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00002135974290
                2s
                   +0 :              -0.00015557479642
                3s
                   +0 :               0.00004921591567
                2p
                   -1 :              -0.00002351662065
                   +0 :              -0.00008368562570
                   +1 :              -0.00000523190573
                3p
                   -1 :              -0.00000319483282
                   +0 :               0.00002816727127
                   +1 :               0.00003672522054
                3d
                   -2 :               0.00000577963848
                   -1 :              -0.00000138025709
                   +0 :              -0.00000210713785
                   +1 :               0.00000332924652
                   +2 :              -0.00000493451098
             15 vec=     2.593388      4.492478     16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001019007555
                2s
                   +0 :              -0.00005799983693
                3s
                   +0 :               0.00003679645770
                2p
                   -1 :              -0.00004301395339
                   +0 :               0.00000689137534
                   +1 :               0.00002418839668
                3p
                   -1 :               0.00001161042638
                   +0 :               0.00002842554624
                   +1 :               0.00001146591310
                3d
                   -2 :               0.00000091050788
                   -1 :               0.00000131601065
                   +0 :               0.00000571590057
                   +1 :               0.00000432606297
                   +2 :              -0.00000058089185
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 25)  npairs=  14
              1 vec=     2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005562535777
                2s
                   +0 :               0.00034110764419
                3s
                   +0 :              -0.00021645157523
                2p
                   -1 :               0.00025497985811
                   +0 :              -0.00047028494406
                   +1 :              -0.00011264324589
                3p
                   -1 :              -0.00022397976017
                   +0 :               0.00049907115975
                   +1 :               0.00006829919923
                3d
                   -2 :              -0.00001488091176
                   -1 :               0.00003142962843
                   +0 :              -0.00005396981833
                   +1 :               0.00000547550972
                   +2 :              -0.00000424025378
              2 vec=     2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00006676557391
                2s
                   +0 :              -0.00040669892119
                3s
                   +0 :               0.00023151906012
                2p
                   -1 :               0.00033443626569
                   +0 :              -0.00043524300721
                   +1 :              -0.00008291451873
                3p
                   -1 :              -0.00025669053244
                   +0 :               0.00033380753578
                   +1 :              -0.00007104226816
                3d
                   -2 :               0.00000695212167
                   -1 :              -0.00002083812507
                   +0 :               0.00003545221254
                   +1 :              -0.00002227735302
                   +2 :              -0.00000675653579
              3 vec=    -5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00004473084743
                2s
                   +0 :              -0.00032926922498
                3s
                   +0 :               0.00005680099708
                2p
                   -1 :              -0.00075562040662
                   +0 :               0.00017808901380
                   +1 :               0.00025203129169
                3p
                   -1 :               0.00035382247924
                   +0 :              -0.00008881264108
                   +1 :              -0.00002313014839
                3d
                   -2 :              -0.00002137591992
                   -1 :              -0.00000691522650
                   +0 :              -0.00002739012938
                   +1 :              -0.00000698659681
                   +2 :               0.00000958759903
              4 vec=    -5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00005425739068
                2s
                   +0 :              -0.00027714873670
                3s
                   +0 :               0.00010809473323
                2p
                   -1 :              -0.00016863876777
                   +0 :               0.00017887434529
                   +1 :               0.00043172041365
                3p
                   -1 :              -0.00015870585786
                   +0 :              -0.00013760368092
                   +1 :              -0.00018883995325
                3d
                   -2 :               0.00000758784734
                   -1 :              -0.00002775515284
                   +0 :              -0.00002688881033
                   +1 :               0.00000599239922
                   +2 :              -0.00000498861335
              5 vec=     2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00004136807615
                2s
                   +0 :              -0.00041922430647
                3s
                   +0 :               0.00006070721883
                2p
                   -1 :               0.00005112731122
                   +0 :               0.00011089011856
                   +1 :              -0.00008151171204
                3p
                   -1 :               0.00004080257770
                   +0 :               0.00007062253836
                   +1 :               0.00009072329556
                3d
                   -2 :              -0.00001263304430
                   -1 :              -0.00002219582964
                   +0 :               0.00000036646566
                   +1 :              -0.00000709592104
                   +2 :               0.00001319971902
              6 vec=     2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00000831722917
                2s
                   +0 :              -0.00033992839563
                3s
                   +0 :              -0.00002447122029
                2p
                   -1 :               0.00030243380723
                   +0 :              -0.00026435397619
                   +1 :               0.00009148618821
                3p
                   -1 :              -0.00013419880267
                   +0 :              -0.00000159892548
                   +1 :               0.00002351345740
                3d
                   -2 :              -0.00000525602231
                   -1 :               0.00001307795870
                   +0 :               0.00000065185075
                   +1 :               0.00001266946757
                   +2 :              -0.00000850165371
              7 vec=    -5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00000051242961
                2s
                   +0 :               0.00005477387981
                3s
                   +0 :               0.00007592526930
                2p
                   -1 :              -0.00003494076044
                   +0 :               0.00012693800634
                   +1 :               0.00012316683834
                3p
                   -1 :               0.00004425658999
                   +0 :              -0.00013075959735
                   +1 :              -0.00011100392945
                3d
                   -2 :              -0.00000675669659
                   -1 :              -0.00000872381405
                   +0 :               0.00000218976499
                   +1 :               0.00000570334492
                   +2 :              -0.00001001304360
              8 vec=    -5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00000904085465
                2s
                   +0 :               0.00009677389943
                3s
                   +0 :              -0.00007174231568
                2p
                   -1 :               0.00003987158147
                   +0 :               0.00005760701469
                   +1 :               0.00012881931392
                3p
                   -1 :              -0.00008018514262
                   +0 :              -0.00004267214455
                   +1 :              -0.00015608642127
                3d
                   -2 :               0.00000389573586
                   -1 :               0.00000133041496
                   +0 :              -0.00001664770683
                   +1 :              -0.00000357779527
                   +2 :               0.00000445176449
              9 vec=    10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000269367444
                2s
                   +0 :               0.00002320512269
                3s
                   +0 :              -0.00001095007139
                2p
                   -1 :               0.00004335443266
                   +0 :              -0.00004323162322
                   +1 :              -0.00010736617367
                3p
                   -1 :              -0.00002273113428
                   +0 :               0.00001248567031
                   +1 :               0.00007114396143
                3d
                   -2 :               0.00000121035602
                   -1 :               0.00000273159233
                   +0 :              -0.00000403922560
                   +1 :               0.00000191648796
                   +2 :              -0.00000081973207
             10 vec=    10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00001172717019
                2s
                   +0 :              -0.00006304035233
                3s
                   +0 :               0.00001694160959
                2p
                   -1 :               0.00015394481183
                   +0 :              -0.00002848903010
                   +1 :              -0.00021797204586
                3p
                   -1 :              -0.00014638327593
                   +0 :              -0.00000450952737
                   +1 :               0.00015427373145
                3d
                   -2 :              -0.00000679506401
                   -1 :              -0.00001056019536
                   +0 :               0.00000257528989
                   +1 :               0.00000924578048
                   +2 :               0.00000195691918
             11 vec=     2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001497892455
                2s
                   +0 :              -0.00010253635258
                3s
                   +0 :               0.00007226342305
                2p
                   -1 :               0.00005582817672
                   +0 :               0.00007748960803
                   +1 :              -0.00005447552208
                3p
                   -1 :              -0.00001192106487
                   +0 :              -0.00009129906118
                   +1 :               0.00001027352706
                3d
                   -2 :              -0.00000258484631
                   -1 :              -0.00000625876072
                   +0 :               0.00001996400030
                   +1 :               0.00000035058845
                   +2 :              -0.00000094564249
             12 vec=     2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00000311173502
                2s
                   +0 :              -0.00002060348504
                3s
                   +0 :               0.00002863788431
                2p
                   -1 :              -0.00014525066486
                   +0 :              -0.00003904235336
                   +1 :               0.00003722933930
                3p
                   -1 :               0.00013742444175
                   +0 :               0.00007228889212
                   +1 :              -0.00005661112285
                3d
                   -2 :               0.00001324548933
                   -1 :               0.00000801621087
                   +0 :               0.00000648617137
                   +1 :              -0.00000056340778
                   +2 :               0.00000621007603
             13 vec=    10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000472938974
                2s
                   +0 :              -0.00009881289658
                3s
                   +0 :              -0.00002130088146
                2p
                   -1 :              -0.00001006824408
                   +0 :               0.00003983423830
                   +1 :               0.00006149515382
                3p
                   -1 :              -0.00001288145036
                   +0 :               0.00002503458620
                   +1 :              -0.00002761684496
                3d
                   -2 :               0.00000212446219
                   -1 :               0.00000338912888
                   +0 :              -0.00000878464421
                   +1 :               0.00000689915660
                   +2 :               0.00000109320761
             14 vec=    10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00001726594392
                2s
                   +0 :               0.00012286876742
                3s
                   +0 :              -0.00002455934096
                2p
                   -1 :              -0.00003094906993
                   +0 :               0.00004145869894
                   +1 :               0.00002041577381
                3p
                   -1 :               0.00006971376592
                   +0 :               0.00001900865494
                   +1 :               0.00000654067797
                3d
                   -2 :               0.00001111534957
                   -1 :               0.00001025466867
                   +0 :               0.00000127587023
                   +1 :               0.00000166429333
                   +2 :              -0.00000145777801
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 26)  npairs=  14
              1 vec=    -2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00004064504467
                2s
                   +0 :              -0.00016159743670
                3s
                   +0 :               0.00015085124716
                2p
                   -1 :               0.00007506996145
                   +0 :               0.00019436997403
                   +1 :               0.00008733592833
                3p
                   -1 :              -0.00014020702157
                   +0 :              -0.00015914021535
                   +1 :               0.00006109228385
                3d
                   -2 :              -0.00001313313114
                   -1 :               0.00001538504881
                   +0 :               0.00001584906182
                   +1 :              -0.00001958220899
                   +2 :               0.00000994140698
              2 vec=    -2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005901649220
                2s
                   +0 :               0.00029692045564
                3s
                   +0 :              -0.00027831399565
                2p
                   -1 :               0.00009633402562
                   +0 :               0.00036767478661
                   +1 :              -0.00001123788033
                3p
                   -1 :              -0.00005197591614
                   +0 :              -0.00051101582035
                   +1 :               0.00009377745101
                3d
                   -2 :               0.00002340820220
                   -1 :              -0.00000556601450
                   +0 :              -0.00006939955053
                   +1 :               0.00001521458617
                   +2 :              -0.00000447117466
              3 vec=     5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00006228933346
                2s
                   +0 :              -0.00039366018891
                3s
                   +0 :               0.00012802677004
                2p
                   -1 :              -0.00013978605556
                   +0 :              -0.00008224241881
                   +1 :              -0.00029866207747
                3p
                   -1 :              -0.00010770909087
                   +0 :               0.00014365737945
                   +1 :               0.00009337309985
                3d
                   -2 :              -0.00000713946202
                   -1 :               0.00001621061543
                   +0 :              -0.00002883661215
                   +1 :               0.00001758976896
                   +2 :               0.00000708628319
              4 vec=     5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00000936506264
                2s
                   +0 :              -0.00012340200345
                3s
                   +0 :              -0.00001606279147
                2p
                   -1 :              -0.00067984235584
                   +0 :               0.00001886227970
                   +1 :              -0.00017513635458
                3p
                   -1 :               0.00023769378323
                   +0 :              -0.00001513610767
                   +1 :              -0.00000879706137
                3d
                   -2 :              -0.00000019642651
                   -1 :              -0.00002048763342
                   +0 :              -0.00002545132504
                   +1 :              -0.00000363296823
                   +2 :               0.00000365199864
              5 vec=    -2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00007048560857
                2s
                   +0 :              -0.00077003629819
                3s
                   +0 :               0.00014304123082
                2p
                   -1 :               0.00053992448569
                   +0 :               0.00056266295518
                   +1 :              -0.00006736437995
                3p
                   -1 :              -0.00038489481784
                   +0 :              -0.00020171048824
                   +1 :              -0.00001330092697
                3d
                   -2 :               0.00000770929881
                   -1 :              -0.00000352626104
                   +0 :              -0.00000418805824
                   +1 :               0.00000174124569
                   +2 :              -0.00001713772699
              6 vec=    -2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001960494372
                2s
                   +0 :              -0.00023195020985
                3s
                   +0 :              -0.00000134248447
                2p
                   -1 :               0.00001898134929
                   +0 :              -0.00006677275845
                   +1 :               0.00000442238027
                3p
                   -1 :               0.00006937709692
                   +0 :              -0.00012126637434
                   +1 :              -0.00004451456212
                3d
                   -2 :               0.00000759545478
                   -1 :               0.00002341690978
                   +0 :               0.00000460591402
                   +1 :              -0.00001072295401
                   +2 :               0.00001215231214
              7 vec=     5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00002086771791
                2s
                   +0 :               0.00020919741377
                3s
                   +0 :              -0.00007524197741
                2p
                   -1 :              -0.00003251776353
                   +0 :              -0.00013634155522
                   +1 :              -0.00009336950419
                3p
                   -1 :              -0.00000040056981
                   +0 :               0.00006041768703
                   +1 :               0.00014425404738
                3d
                   -2 :               0.00000503485719
                   -1 :               0.00000100755125
                   +0 :              -0.00000579612428
                   +1 :              -0.00000739712339
                   +2 :               0.00000449194936
              8 vec=     5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00001394700079
                2s
                   +0 :              -0.00010279094461
                3s
                   +0 :               0.00007821364653
                2p
                   -1 :              -0.00009513841870
                   +0 :              -0.00013426124129
                   +1 :              -0.00012102947064
                3p
                   -1 :               0.00006543989590
                   +0 :               0.00009943345508
                   +1 :               0.00011086250866
                3d
                   -2 :               0.00000531589056
                   -1 :               0.00001609927640
                   +0 :               0.00000913970773
                   +1 :               0.00000512511783
                   +2 :               0.00000810239050
              9 vec=   -10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00002641073553
                2s
                   +0 :              -0.00013860736717
                3s
                   +0 :               0.00007563125402
                2p
                   -1 :               0.00015597056730
                   +0 :               0.00011819360415
                   +1 :               0.00020875369661
                3p
                   -1 :              -0.00018649131362
                   +0 :              -0.00005898474785
                   +1 :              -0.00015015388137
                3d
                   -2 :               0.00000658592452
                   -1 :               0.00001018307582
                   +0 :               0.00000467907575
                   +1 :               0.00001279403034
                   +2 :               0.00000158373110
             10 vec=   -10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000957114173
                2s
                   +0 :               0.00004181509314
                3s
                   +0 :              -0.00003423338012
                2p
                   -1 :               0.00013137972019
                   +0 :               0.00010002161413
                   +1 :               0.00001804800503
                3p
                   -1 :              -0.00012665537744
                   +0 :              -0.00007693822263
                   +1 :               0.00000788959772
                3d
                   -2 :               0.00000307221644
                   -1 :              -0.00001293615471
                   +0 :              -0.00000933181503
                   +1 :               0.00000561000526
                   +2 :              -0.00000964718603
             11 vec=    -2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002447902089
                2s
                   +0 :               0.00015805198450
                3s
                   +0 :              -0.00002651928867
                2p
                   -1 :              -0.00017595091287
                   +0 :              -0.00011442502881
                   +1 :               0.00023136933969
                3p
                   -1 :               0.00019026980120
                   +0 :               0.00005150628729
                   +1 :              -0.00016944650957
                3d
                   -2 :              -0.00000978886067
                   -1 :              -0.00000788447714
                   +0 :               0.00000698574653
                   +1 :               0.00001645584431
                   +2 :              -0.00000193342892
             12 vec=    -2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001911544156
                2s
                   +0 :              -0.00012450836229
                3s
                   +0 :               0.00008178326911
                2p
                   -1 :               0.00007359204526
                   +0 :              -0.00013954181396
                   +1 :               0.00002343606732
                3p
                   -1 :              -0.00003239535235
                   +0 :               0.00016408556316
                   +1 :               0.00000985523808
                3d
                   -2 :               0.00001272423889
                   -1 :              -0.00000262398354
                   +0 :               0.00002239222874
                   +1 :              -0.00000575271222
                   +2 :              -0.00000266977789
             13 vec=   -10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00002294285103
                2s
                   +0 :               0.00023048823628
                3s
                   +0 :              -0.00004851495917
                2p
                   -1 :               0.00005984339340
                   +0 :              -0.00004648072398
                   +1 :              -0.00019584820029
                3p
                   -1 :              -0.00000936821214
                   +0 :              -0.00002082009308
                   +1 :               0.00012746296002
                3d
                   -2 :              -0.00000370676406
                   -1 :              -0.00000042346140
                   +0 :              -0.00000061538961
                   +1 :              -0.00000706713118
                   +2 :              -0.00000180607251
             14 vec=   -10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001798752743
                2s
                   +0 :              -0.00008566178632
                3s
                   +0 :               0.00007039386509
                2p
                   -1 :               0.00002532239258
                   +0 :              -0.00008014418780
                   +1 :              -0.00002517717078
                3p
                   -1 :               0.00001320680571
                   +0 :               0.00009778936582
                   +1 :               0.00000276456577
                3d
                   -2 :               0.00000084869340
                   -1 :              -0.00000457621545
                   +0 :               0.00000787222739
                   +1 :              -0.00000322187300
                   +2 :              -0.00000605556064
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 27)  npairs=  18
              1 vec=     0.000000     -3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00003714501094
                2s
                   +0 :              -0.00035159529186
                3s
                   +0 :               0.00004239913252
                2p
                   -1 :              -0.00044051752017
                   +0 :              -0.00013622925837
                   +1 :               0.00017340587762
                3p
                   -1 :               0.00034188761863
                   +0 :               0.00021876110695
                   +1 :              -0.00016473749069
                3d
                   -2 :               0.00000350708109
                   -1 :              -0.00001748869255
                   +0 :               0.00001556648773
                   +1 :              -0.00001696035544
                   +2 :               0.00000390901424
              2 vec=     0.000000     -3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00000319639019
                2s
                   +0 :              -0.00013122857818
                3s
                   +0 :              -0.00003084528008
                2p
                   -1 :              -0.00024856347732
                   +0 :               0.00013144676742
                   +1 :              -0.00019908276294
                3p
                   -1 :               0.00016799083641
                   +0 :              -0.00016433776608
                   +1 :               0.00015904072289
                3d
                   -2 :              -0.00000428900989
                   -1 :               0.00000751566400
                   +0 :               0.00002426328766
                   +1 :              -0.00001241861557
                   +2 :               0.00000997898830
              3 vec=     0.000000      5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00004331146211
                2s
                   +0 :               0.00045445341057
                3s
                   +0 :              -0.00005018717023
                2p
                   -1 :               0.00013044567037
                   +0 :              -0.00021826503335
                   +1 :              -0.00004468074543
                3p
                   -1 :              -0.00006976709554
                   +0 :              -0.00004327257846
                   +1 :              -0.00001521136637
                3d
                   -2 :              -0.00001264742107
                   -1 :               0.00000000494495
                   +0 :               0.00001020481543
                   +1 :               0.00000108127675
                   +2 :               0.00001160621845
              4 vec=     0.000000      5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00007482881822
                2s
                   +0 :               0.00055372962809
                3s
                   +0 :              -0.00016700722944
                2p
                   -1 :              -0.00008524361134
                   +0 :               0.00046751169149
                   +1 :               0.00039684247819
                3p
                   -1 :               0.00012693503780
                   +0 :              -0.00019921021552
                   +1 :              -0.00030011490283
                3d
                   -2 :               0.00000337116726
                   -1 :               0.00001251158340
                   +0 :              -0.00001005231473
                   +1 :              -0.00003372457716
                   +2 :               0.00001946041165
              5 vec=    -7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00011036071748
                2s
                   +0 :               0.00106862155571
                3s
                   +0 :              -0.00021454421401
                2p
                   -1 :              -0.00006516857105
                   +0 :              -0.00068824986473
                   +1 :              -0.00029316610721
                3p
                   -1 :               0.00005940324170
                   +0 :               0.00015320514015
                   +1 :               0.00007539560616
                3d
                   -2 :               0.00000243496938
                   -1 :              -0.00000215671668
                   +0 :               0.00000917458849
                   +1 :               0.00001303287329
                   +2 :               0.00001082391557
              6 vec=    -7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00001073240147
                2s
                   +0 :               0.00019319549105
                3s
                   +0 :              -0.00000751863269
                2p
                   -1 :              -0.00026194608431
                   +0 :               0.00022725028375
                   +1 :              -0.00011103108062
                3p
                   -1 :               0.00024026924232
                   +0 :               0.00000262751795
                   +1 :               0.00004273006694
                3d
                   -2 :              -0.00000791618304
                   -1 :               0.00001798280879
                   +0 :               0.00001724861882
                   +1 :              -0.00000208043341
                   +2 :              -0.00000787878343
              7 vec=     7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00000808203666
                2s
                   +0 :               0.00002765692992
                3s
                   +0 :               0.00003024788909
                2p
                   -1 :              -0.00015836779015
                   +0 :              -0.00004127444040
                   +1 :               0.00023395831110
                3p
                   -1 :               0.00013543430343
                   +0 :              -0.00008722882636
                   +1 :              -0.00012808177619
                3d
                   -2 :               0.00000420581257
                   -1 :              -0.00000551540564
                   +0 :               0.00001553424646
                   +1 :               0.00000286271759
                   +2 :              -0.00000963309077
              8 vec=     7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00004182958730
                2s
                   +0 :               0.00049665536151
                3s
                   +0 :              -0.00007138394591
                2p
                   -1 :              -0.00002798756832
                   +0 :               0.00057060842640
                   +1 :               0.00028858810265
                3p
                   -1 :               0.00003467274870
                   +0 :              -0.00016310220674
                   +1 :              -0.00014600299678
                3d
                   -2 :              -0.00000379858310
                   -1 :               0.00000161506739
                   +0 :               0.00000161533856
                   +1 :               0.00000212184087
                   +2 :               0.00000567683467
              9 vec=    -7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000329239386
                2s
                   +0 :              -0.00006749000907
                3s
                   +0 :              -0.00003235423452
                2p
                   -1 :              -0.00000357350345
                   +0 :              -0.00012631529091
                   +1 :              -0.00012664064581
                3p
                   -1 :               0.00002134762413
                   +0 :               0.00021782064421
                   +1 :               0.00016125213306
                3d
                   -2 :               0.00000798687179
                   -1 :               0.00000213673547
                   +0 :              -0.00001186717130
                   +1 :              -0.00000418876892
                   +2 :              -0.00000558136425
             10 vec=    -7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000030875108
                2s
                   +0 :              -0.00001216197331
                3s
                   +0 :              -0.00000653328213
                2p
                   -1 :              -0.00007532845280
                   +0 :              -0.00004685259962
                   +1 :               0.00006198839234
                3p
                   -1 :               0.00005062408675
                   +0 :              -0.00001182905677
                   +1 :              -0.00002724700921
                3d
                   -2 :              -0.00000147102746
                   -1 :               0.00000311454819
                   +0 :               0.00000181473822
                   +1 :               0.00000128101230
                   +2 :               0.00000631394866
             11 vec=     7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00001345990066
                2s
                   +0 :              -0.00009298834881
                3s
                   +0 :               0.00003315303779
                2p
                   -1 :              -0.00005288081516
                   +0 :               0.00008366187897
                   +1 :              -0.00005765722140
                3p
                   -1 :               0.00002844749690
                   +0 :              -0.00002039248446
                   +1 :               0.00001013199163
                3d
                   -2 :               0.00000362332925
                   -1 :              -0.00000270667753
                   +0 :               0.00000225972167
                   +1 :               0.00000192429517
                   +2 :              -0.00000058507673
             12 vec=     7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000037586543
                2s
                   +0 :              -0.00002570961368
                3s
                   +0 :              -0.00002521704362
                2p
                   -1 :               0.00007788990571
                   +0 :               0.00012242921278
                   +1 :               0.00008431522512
                3p
                   -1 :              -0.00005273820911
                   +0 :              -0.00020784777260
                   +1 :              -0.00011310137477
                3d
                   -2 :              -0.00001110537035
                   -1 :              -0.00000104436528
                   +0 :              -0.00001365489762
                   +1 :              -0.00000788493241
                   +2 :              -0.00000464384797
             13 vec=     0.000000    -12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00002549878767
                2s
                   +0 :              -0.00025206594203
                3s
                   +0 :               0.00004520099990
                2p
                   -1 :               0.00010434639844
                   +0 :               0.00009296072268
                   +1 :               0.00004231644524
                3p
                   -1 :               0.00000929866051
                   +0 :              -0.00000770554246
                   +1 :              -0.00003535081836
                3d
                   -2 :               0.00000596773696
                   -1 :              -0.00000081229757
                   +0 :              -0.00000307979087
                   +1 :               0.00000015211016
                   +2 :               0.00000387117305
             14 vec=     0.000000    -12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001726449835
                2s
                   +0 :              -0.00017195019956
                3s
                   +0 :               0.00003023255619
                2p
                   -1 :               0.00010983890450
                   +0 :              -0.00007255989826
                   +1 :              -0.00006567231865
                3p
                   -1 :              -0.00000984988481
                   +0 :              -0.00000824371766
                   +1 :               0.00005211435252
                3d
                   -2 :              -0.00000474801128
                   -1 :               0.00000198310578
                   +0 :              -0.00000304507829
                   +1 :              -0.00000081118675
                   +2 :               0.00000507240765
             15 vec=    -7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000946143629
                2s
                   +0 :              -0.00001086404464
                3s
                   +0 :               0.00004290539833
                2p
                   -1 :               0.00007736464199
                   +0 :               0.00008492911153
                   +1 :              -0.00002429192337
                3p
                   -1 :              -0.00004987032898
                   +0 :              -0.00009811181209
                   +1 :               0.00001744249405
                3d
                   -2 :              -0.00000041122372
                   -1 :              -0.00000634001660
                   +0 :               0.00000536299271
                   +1 :               0.00000177364012
                   +2 :              -0.00000636598864
             16 vec=    -7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000995710534
                2s
                   +0 :               0.00008370582073
                3s
                   +0 :              -0.00004243955268
                2p
                   -1 :               0.00000734954566
                   +0 :               0.00002384120682
                   +1 :              -0.00010391497590
                3p
                   -1 :              -0.00001141718884
                   +0 :              -0.00000323712012
                   +1 :               0.00009325428404
                3d
                   -2 :               0.00001325390590
                   -1 :              -0.00000353721000
                   +0 :              -0.00000031620642
                   +1 :               0.00000952867135
                   +2 :              -0.00000472642071
             17 vec=     7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000797609152
                2s
                   +0 :               0.00005322451044
                3s
                   +0 :              -0.00002648589323
                2p
                   -1 :               0.00001716884863
                   +0 :              -0.00006431276694
                   +1 :               0.00001819932326
                3p
                   -1 :              -0.00001958121300
                   +0 :               0.00001921725488
                   +1 :               0.00000930412018
                3d
                   -2 :              -0.00000252009149
                   -1 :               0.00000245799822
                   +0 :               0.00000138307649
                   +1 :               0.00000117274411
                   +2 :               0.00000035618520
             18 vec=     7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00002618224574
                2s
                   +0 :               0.00018810334262
                3s
                   +0 :              -0.00007719313073
                2p
                   -1 :               0.00003369016558
                   +0 :               0.00010061927662
                   +1 :               0.00005053143931
                3p
                   -1 :              -0.00002504357725
                   +0 :              -0.00003262307601
                   +1 :              -0.00001377054523
                3d
                   -2 :               0.00000611978658
                   -1 :              -0.00000530344232
                   +0 :              -0.00000202737348
                   +1 :               0.00000372089094
                   +2 :               0.00000316323838
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 28)  npairs=  12
              1 vec=    -2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00377778589916
                2s
                   +0 :               0.09738406228720
                3s
                   +0 :              -0.00912592730741
                2p
                   -1 :               0.04907593778439
                   +0 :               0.00430770665662
                   +1 :              -0.04250133661297
                3p
                   -1 :              -0.00683526568070
                   +0 :              -0.00349126242806
                   +1 :               0.00789291058305
                3d
                   -2 :              -0.00243478063309
                   -1 :               0.00033818816403
                   +0 :              -0.00169806764123
                   +1 :               0.00089493354242
                   +2 :              -0.00192450276659
              2 vec=    -2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00125324546181
                2s
                   +0 :              -0.04427406536907
                3s
                   +0 :              -0.00013919354911
                2p
                   -1 :               0.02879314849681
                   +0 :              -0.00067093607011
                   +1 :               0.01604571225932
                3p
                   -1 :               0.00334508335464
                   +0 :               0.00152014578125
                   +1 :              -0.00084263017066
                3d
                   -2 :              -0.00244787311969
                   -1 :              -0.00071633529117
                   +0 :               0.00153481516538
                   +1 :              -0.00040333683745
                   +2 :               0.00130699895586
              3 vec=     5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00130620814150
                2s
                   +0 :               0.00067520961917
                3s
                   +0 :              -0.00581105756364
                2p
                   -1 :              -0.00594956168293
                   +0 :               0.00230017172077
                   +1 :              -0.00354950228599
                3p
                   -1 :               0.00111869959231
                   +0 :              -0.00227565926743
                   +1 :              -0.00415900808542
                3d
                   -2 :              -0.00041533622719
                   -1 :              -0.00027280049301
                   +0 :               0.00051204600493
                   +1 :              -0.00005028099321
                   +2 :              -0.00095274612284
              4 vec=   -10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00029614028757
                2s
                   +0 :              -0.00202769553058
                3s
                   +0 :               0.00066682139812
                2p
                   -1 :              -0.00130823307748
                   +0 :              -0.00023561712736
                   +1 :               0.00137414813097
                3p
                   -1 :               0.00079417770514
                   +0 :               0.00015602395289
                   +1 :               0.00010380745913
                3d
                   -2 :              -0.00004884932833
                   -1 :              -0.00000241658852
                   +0 :               0.00024289965652
                   +1 :              -0.00004565501876
                   +2 :              -0.00016531227999
              5 vec=     5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00044232233624
                2s
                   +0 :               0.00507889072290
                3s
                   +0 :              -0.00025312371501
                2p
                   -1 :               0.00535930607699
                   +0 :               0.00015962385671
                   +1 :               0.00477894149441
                3p
                   -1 :              -0.00018175930106
                   +0 :               0.00013346044890
                   +1 :              -0.00024944984017
                3d
                   -2 :               0.00036579907716
                   -1 :               0.00009388121799
                   +0 :              -0.00021286035123
                   +1 :               0.00007704604973
                   +2 :              -0.00020477191510
              6 vec=     5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00075488001962
                2s
                   +0 :              -0.00656428484982
                3s
                   +0 :               0.00180093007897
                2p
                   -1 :               0.00527300595996
                   +0 :              -0.00114188883293
                   +1 :              -0.00372172211703
                3p
                   -1 :              -0.00165131584571
                   +0 :               0.00110824070029
                   +1 :               0.00109951370694
                3d
                   -2 :               0.00011813729964
                   -1 :              -0.00008956971176
                   +0 :               0.00007425549781
                   +1 :              -0.00003407010020
                   +2 :              -0.00000089610627
              7 vec=   -10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00008932961780
                2s
                   +0 :               0.00093559978955
                3s
                   +0 :              -0.00008766645383
                2p
                   -1 :              -0.00049040729898
                   +0 :               0.00007763330106
                   +1 :              -0.00012695158182
                3p
                   -1 :               0.00023568833548
                   +0 :              -0.00010137602377
                   +1 :              -0.00023690362929
                3d
                   -2 :               0.00002766508662
                   -1 :               0.00000670136910
                   +0 :              -0.00002457899904
                   +1 :               0.00001915027475
                   +2 :               0.00001681184496
              8 vec=    -2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00002950381308
                2s
                   +0 :               0.00085482133342
                3s
                   +0 :               0.00003918633471
                2p
                   -1 :               0.00012796152834
                   +0 :              -0.00008554891909
                   +1 :               0.00037551061082
                3p
                   -1 :               0.00025744399762
                   +0 :               0.00012637519112
                   +1 :              -0.00036012050099
                3d
                   -2 :              -0.00004181547332
                   -1 :               0.00000442201965
                   +0 :              -0.00003017209690
                   +1 :               0.00000827570271
                   +2 :               0.00000182611537
              9 vec=   -10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00004216310952
                2s
                   +0 :              -0.00059798526459
                3s
                   +0 :               0.00012328301172
                2p
                   -1 :              -0.00015728132543
                   +0 :              -0.00009166541838
                   +1 :               0.00054733847310
                3p
                   -1 :              -0.00003845985489
                   +0 :               0.00006371930311
                   +1 :              -0.00013205864981
                3d
                   -2 :               0.00002200690222
                   -1 :               0.00001656180623
                   +0 :              -0.00000189740619
                   +1 :              -0.00001846028560
                   +2 :              -0.00002774783552
             10 vec=    13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005870548421
                2s
                   +0 :               0.00063954015420
                3s
                   +0 :              -0.00011180529557
                2p
                   -1 :              -0.00029392239420
                   +0 :              -0.00003610956156
                   +1 :               0.00080547646946
                3p
                   -1 :               0.00013216895510
                   +0 :               0.00003794816982
                   +1 :              -0.00026266986442
                3d
                   -2 :              -0.00000008697164
                   -1 :               0.00000711372437
                   +0 :               0.00001447485728
                   +1 :              -0.00000032821148
                   +2 :               0.00001526291002
             11 vec=    -2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00003230685807
                2s
                   +0 :              -0.00061191211642
                3s
                   +0 :               0.00008052847676
                2p
                   -1 :               0.00028362887642
                   +0 :               0.00012837417953
                   +1 :               0.00008865113183
                3p
                   -1 :               0.00003382243651
                   +0 :              -0.00011500288038
                   +1 :              -0.00003990157778
                3d
                   -2 :              -0.00000637132727
                   -1 :               0.00000396951919
                   +0 :               0.00000536210975
                   +1 :              -0.00000745087115
                   +2 :              -0.00000965902836
             12 vec=    13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00004690638346
                2s
                   +0 :              -0.00041874470049
                3s
                   +0 :               0.00013995254491
                2p
                   -1 :               0.00024755188851
                   +0 :              -0.00000651370992
                   +1 :              -0.00019552922462
                3p
                   -1 :              -0.00017177309092
                   +0 :               0.00001591203486
                   +1 :               0.00007665485638
                3d
                   -2 :              -0.00001066785671
                   -1 :               0.00001204789614
                   +0 :              -0.00002132643639
                   +1 :               0.00000534296739
                   +2 :               0.00000357477008
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 29)  npairs=  12
              1 vec=     2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00384042140102
                2s
                   +0 :               0.09785181056314
                3s
                   +0 :              -0.00928056916764
                2p
                   -1 :               0.04933913565685
                   +0 :              -0.00479441299325
                   +1 :               0.04258896008560
                3p
                   -1 :              -0.00695505612442
                   +0 :               0.00338136848018
                   +1 :              -0.00804364594151
                3d
                   -2 :               0.00241938627775
                   -1 :              -0.00038142363050
                   +0 :              -0.00171135032692
                   +1 :               0.00088824245467
                   +2 :              -0.00192149677195
              2 vec=    -5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00130224712481
                2s
                   +0 :               0.00061164108989
                3s
                   +0 :              -0.00583529912413
                2p
                   -1 :              -0.00589906376590
                   +0 :              -0.00202925201215
                   +1 :               0.00339237246400
                3p
                   -1 :               0.00116701595894
                   +0 :               0.00210018337387
                   +1 :               0.00425641330462
                3d
                   -2 :               0.00042555137618
                   -1 :               0.00028485621795
                   +0 :               0.00050760238443
                   +1 :              -0.00003702932514
                   +2 :              -0.00094739523862
              3 vec=     2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00129288444628
                2s
                   +0 :              -0.04447993195561
                3s
                   +0 :               0.00004247314477
                2p
                   -1 :               0.02872209102384
                   +0 :               0.00121892218388
                   +1 :              -0.01603894116019
                3p
                   -1 :               0.00336031598438
                   +0 :              -0.00158152751836
                   +1 :               0.00082168225475
                3d
                   -2 :               0.00245644437596
                   -1 :               0.00072304587859
                   +0 :               0.00156777836969
                   +1 :              -0.00034989256542
                   +2 :               0.00130313905995
              4 vec=    -5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00044666702635
                2s
                   +0 :               0.00508324785605
                3s
                   +0 :              -0.00031966150897
                2p
                   -1 :               0.00554849091956
                   +0 :              -0.00018264992153
                   +1 :              -0.00465640211322
                3p
                   -1 :              -0.00035825032106
                   +0 :              -0.00018330775964
                   +1 :               0.00010563723526
                3d
                   -2 :              -0.00037646018649
                   -1 :              -0.00008733558848
                   +0 :              -0.00022839240721
                   +1 :               0.00007847946157
                   +2 :              -0.00019000887380
              5 vec=    10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00026113576381
                2s
                   +0 :              -0.00175114047415
                3s
                   +0 :               0.00059792547843
                2p
                   -1 :              -0.00120387979292
                   +0 :               0.00046697858187
                   +1 :              -0.00119673508770
                3p
                   -1 :               0.00070964894510
                   +0 :              -0.00027661509038
                   +1 :              -0.00021906615641
                3d
                   -2 :               0.00004508176708
                   -1 :               0.00000204945607
                   +0 :               0.00024746173955
                   +1 :              -0.00004569862420
                   +2 :              -0.00016790670281
              6 vec=    -5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00075922718596
                2s
                   +0 :              -0.00662008185285
                3s
                   +0 :               0.00180268797083
                2p
                   -1 :               0.00520799103436
                   +0 :               0.00113863966003
                   +1 :               0.00373357187440
                3p
                   -1 :              -0.00161497826751
                   +0 :              -0.00110024609051
                   +1 :              -0.00110167199005
                3d
                   -2 :              -0.00011957502896
                   -1 :               0.00009243742989
                   +0 :               0.00007327401734
                   +1 :              -0.00002476346656
                   +2 :              -0.00000086324064
              7 vec=     2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00003206311870
                2s
                   +0 :               0.00085814275617
                3s
                   +0 :               0.00001883285212
                2p
                   -1 :               0.00017999813828
                   +0 :               0.00008268489740
                   +1 :              -0.00036030626868
                3p
                   -1 :               0.00018858196557
                   +0 :              -0.00010008625009
                   +1 :               0.00033306139152
                3d
                   -2 :               0.00004330178901
                   -1 :               0.00000421896218
                   +0 :              -0.00003273344650
                   +1 :               0.00000495007246
                   +2 :               0.00000777417364
              8 vec=    10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00008721754916
                2s
                   +0 :               0.00093986271213
                3s
                   +0 :              -0.00007218347030
                2p
                   -1 :              -0.00048242737559
                   +0 :              -0.00014427237688
                   +1 :               0.00019360424604
                3p
                   -1 :               0.00024145875544
                   +0 :               0.00013522508931
                   +1 :               0.00019910501773
                3d
                   -2 :              -0.00002537196996
                   -1 :              -0.00000661689043
                   +0 :              -0.00003312311356
                   +1 :               0.00001828493328
                   +2 :               0.00001778604898
              9 vec=   -13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00007074639786
                2s
                   +0 :               0.00070444200433
                3s
                   +0 :              -0.00015861100835
                2p
                   -1 :              -0.00030711023559
                   +0 :               0.00008339859865
                   +1 :              -0.00085723234311
                3p
                   -1 :               0.00014057986654
                   +0 :              -0.00008238227012
                   +1 :               0.00031067645928
                3d
                   -2 :               0.00000506417220
                   -1 :              -0.00001041438050
                   +0 :               0.00000957107938
                   +1 :               0.00000318258814
                   +2 :               0.00001272253763
             10 vec=    10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00004639585417
                2s
                   +0 :              -0.00060128224219
                3s
                   +0 :               0.00014211126300
                2p
                   -1 :              -0.00018380416120
                   +0 :               0.00004312019827
                   +1 :              -0.00056473305402
                3p
                   -1 :              -0.00001075500688
                   +0 :              -0.00004466701266
                   +1 :               0.00014261851256
                3d
                   -2 :              -0.00002151313004
                   -1 :              -0.00001389504631
                   +0 :               0.00000042730968
                   +1 :              -0.00001541079342
                   +2 :              -0.00002695946186
             11 vec=   -13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00005918734935
                2s
                   +0 :              -0.00051365777732
                3s
                   +0 :               0.00016879571893
                2p
                   -1 :               0.00027535818155
                   +0 :               0.00003682752151
                   +1 :               0.00022301703727
                3p
                   -1 :              -0.00018648567793
                   +0 :              -0.00003921751414
                   +1 :              -0.00007714862803
                3d
                   -2 :               0.00000861670105
                   -1 :              -0.00000867323155
                   +0 :              -0.00002053207174
                   +1 :               0.00000531149963
                   +2 :               0.00000605804584
             12 vec=     2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00003602142012
                2s
                   +0 :              -0.00062412526091
                3s
                   +0 :               0.00009945011154
                2p
                   -1 :               0.00021688180512
                   +0 :              -0.00019483339402
                   +1 :              -0.00011367911556
                3p
                   -1 :               0.00007391592940
                   +0 :               0.00015117151387
                   +1 :               0.00004580002120
                3d
                   -2 :               0.00000606154510
                   -1 :               0.00000156043406
                   +0 :               0.00000958430410
                   +1 :              -0.00000583458871
                   +2 :              -0.00000944441688
WF             site_B          number of pairs
WF( 57)=[O_18_2py]  to site O ( 30)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00170998882441
                2s
                   +0 :               0.00230094486776
                3s
                   +0 :               0.00720658117024
                2p
                   -1 :               0.86389066270842
                   +0 :              -0.00051894990521
                   +1 :              -0.00001652066809
                3p
                   -1 :              -0.03638830346632
                   +0 :               0.00012684118679
                   +1 :               0.00011502182296
                3d
                   -2 :              -0.00000107080192
                   -1 :               0.00003338333962
                   +0 :               0.00150644076675
                   +1 :              -0.00215932547144
                   +2 :              -0.00420012373440
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00018763776144
                2s
                   +0 :               0.00159279444259
                3s
                   +0 :              -0.00095712000719
                2p
                   -1 :              -0.00192241032361
                   +0 :               0.00010453292199
                   +1 :              -0.00090552853512
                3p
                   -1 :               0.00113897424800
                   +0 :              -0.00008905286922
                   +1 :               0.00140624328612
                3d
                   -2 :              -0.00015762218313
                   -1 :               0.00009835329007
                   +0 :              -0.00007572427686
                   +1 :               0.00000546100587
                   +2 :              -0.00000388064354
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00009426234852
                2s
                   +0 :              -0.00035852690487
                3s
                   +0 :               0.00070335208593
                2p
                   -1 :              -0.00157079321842
                   +0 :               0.00116660929828
                   +1 :              -0.00148528815438
                3p
                   -1 :               0.00040568404623
                   +0 :              -0.00102412190966
                   +1 :              -0.00113686273736
                3d
                   -2 :               0.00012153708122
                   -1 :              -0.00003215348109
                   +0 :              -0.00013694562472
                   +1 :              -0.00002048125962
                   +2 :               0.00029359703695
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00054449944839
                2s
                   +0 :              -0.00188489679030
                3s
                   +0 :               0.00024173672457
                2p
                   -1 :               0.00159411136012
                   +0 :               0.00012402371290
                   +1 :               0.00002748149927
                3p
                   -1 :               0.00033819385461
                   +0 :              -0.00006516338220
                   +1 :              -0.00004872779143
                3d
                   -2 :               0.00000656507407
                   -1 :              -0.00000901170815
                   +0 :               0.00011601922652
                   +1 :               0.00021684008599
                   +2 :              -0.00018144682738
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00012973487479
                2s
                   +0 :               0.00109064417948
                3s
                   +0 :               0.00018107697171
                2p
                   -1 :               0.00424884465623
                   +0 :              -0.00012672232398
                   +1 :              -0.00004007828139
                3p
                   -1 :              -0.00172509521136
                   +0 :               0.00012305685085
                   +1 :               0.00004616819394
                3d
                   -2 :              -0.00000008057684
                   -1 :              -0.00000780169230
                   +0 :               0.00005427935965
                   +1 :              -0.00002390092947
                   +2 :               0.00016878982655
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00022212135411
                2s
                   +0 :               0.00183813381691
                3s
                   +0 :              -0.00104361383491
                2p
                   -1 :              -0.00210786266121
                   +0 :              -0.00019453753052
                   +1 :               0.00085500705894
                3p
                   -1 :               0.00126914797142
                   +0 :               0.00014781855299
                   +1 :              -0.00133609487060
                3d
                   -2 :               0.00016480288365
                   -1 :              -0.00012275535475
                   +0 :              -0.00008017562147
                   +1 :              -0.00000083476968
                   +2 :               0.00000402437735
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00009698048273
                2s
                   +0 :              -0.00033825779163
                3s
                   +0 :               0.00078614700540
                2p
                   -1 :              -0.00123631857415
                   +0 :              -0.00123300496925
                   +1 :               0.00150361057790
                3p
                   -1 :               0.00016126805000
                   +0 :               0.00107317292964
                   +1 :               0.00117553568616
                3d
                   -2 :              -0.00013556964135
                   -1 :               0.00004061206580
                   +0 :              -0.00012214330874
                   +1 :              -0.00002261495665
                   +2 :               0.00029061815736
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003503772521
                2s
                   +0 :              -0.00030838204084
                3s
                   +0 :               0.00010523982688
                2p
                   -1 :              -0.00019158858168
                   +0 :              -0.00003577125421
                   +1 :               0.00038286402281
                3p
                   -1 :               0.00007554766702
                   +0 :               0.00001607570832
                   +1 :              -0.00016564608981
                3d
                   -2 :              -0.00000472269894
                   -1 :               0.00000476780624
                   +0 :              -0.00000521851789
                   +1 :              -0.00000262680797
                   +2 :              -0.00000958669562
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002059840214
                2s
                   +0 :              -0.00068688773038
                3s
                   +0 :              -0.00001596652882
                2p
                   -1 :               0.00097326238580
                   +0 :               0.00021732036334
                   +1 :               0.00035825459310
                3p
                   -1 :              -0.00024567105314
                   +0 :              -0.00022148758697
                   +1 :               0.00000442269766
                3d
                   -2 :              -0.00003329602040
                   -1 :               0.00002331607630
                   +0 :               0.00000759851013
                   +1 :               0.00003368985307
                   +2 :              -0.00000518053571
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00012776608950
                2s
                   +0 :               0.00132764624793
                3s
                   +0 :              -0.00026586296797
                2p
                   -1 :               0.00104356939662
                   +0 :              -0.00018940921111
                   +1 :              -0.00065517994117
                3p
                   -1 :              -0.00017658145770
                   +0 :               0.00018894752750
                   +1 :               0.00015687233214
                3d
                   -2 :              -0.00003255799497
                   -1 :              -0.00000577505387
                   +0 :              -0.00002875556364
                   +1 :              -0.00002333629336
                   +2 :              -0.00003681175852
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001534458462
                2s
                   +0 :              -0.00063475236580
                3s
                   +0 :              -0.00002346995775
                2p
                   -1 :               0.00096188115273
                   +0 :              -0.00019750126953
                   +1 :              -0.00036015840945
                3p
                   -1 :              -0.00024465299645
                   +0 :               0.00020907720592
                   +1 :              -0.00000161044117
                3d
                   -2 :               0.00003407120908
                   -1 :              -0.00002286809874
                   +0 :               0.00000565292411
                   +1 :               0.00003311616426
                   +2 :              -0.00000488788035
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00012351825650
                2s
                   +0 :               0.00130903750060
                3s
                   +0 :              -0.00025184570647
                2p
                   -1 :               0.00103018985670
                   +0 :               0.00018209336871
                   +1 :               0.00065334580943
                3p
                   -1 :              -0.00015494971062
                   +0 :              -0.00018154012153
                   +1 :              -0.00015031767840
                3d
                   -2 :               0.00003303653494
                   -1 :               0.00000520540396
                   +0 :              -0.00002626397230
                   +1 :              -0.00001998495140
                   +2 :              -0.00003682763569
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001850870280
                2s
                   +0 :              -0.00018948838125
                3s
                   +0 :               0.00005489540140
                2p
                   -1 :              -0.00024399488935
                   +0 :              -0.00001692485270
                   +1 :              -0.00036714760454
                3p
                   -1 :               0.00011994380771
                   +0 :               0.00000862986469
                   +1 :               0.00017236764424
                3d
                   -2 :               0.00000926989185
                   -1 :              -0.00001202825037
                   +0 :              -0.00001048816986
                   +1 :              -0.00000462417695
                   +2 :              -0.00000513205491
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000821905506
                2s
                   +0 :              -0.00010130964311
                3s
                   +0 :               0.00001863066583
                2p
                   -1 :               0.00003263035893
                   +0 :              -0.00000316018037
                   +1 :               0.00012632963247
                3p
                   -1 :              -0.00001888304282
                   +0 :               0.00000056340239
                   +1 :              -0.00003330523103
                3d
                   -2 :               0.00000414855820
                   -1 :              -0.00000171904604
                   +0 :               0.00000171334416
                   +1 :               0.00000146049703
                   +2 :              -0.00000155546168
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000737049072
                2s
                   +0 :               0.00010297724633
                3s
                   +0 :              -0.00002080477729
                2p
                   -1 :              -0.00002228531271
                   +0 :               0.00004099974191
                   +1 :              -0.00006851591969
                3p
                   -1 :               0.00002779431162
                   +0 :              -0.00002495932564
                   +1 :              -0.00001183018861
                3d
                   -2 :               0.00000157304475
                   -1 :              -0.00000322885877
                   +0 :               0.00000009038538
                   +1 :              -0.00000266112303
                   +2 :               0.00000031688216
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00001404585877
                2s
                   +0 :              -0.00012847422655
                3s
                   +0 :               0.00000720739401
                2p
                   -1 :               0.00005971267877
                   +0 :              -0.00000166444954
                   +1 :               0.00001163623764
                3p
                   -1 :               0.00003483271121
                   +0 :              -0.00000511225347
                   +1 :              -0.00000733518748
                3d
                   -2 :               0.00000099426269
                   -1 :              -0.00000010693919
                   +0 :              -0.00000162652986
                   +1 :               0.00000338531502
                   +2 :              -0.00000356928677
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001162313840
                2s
                   +0 :               0.00012805848930
                3s
                   +0 :              -0.00001197839980
                2p
                   -1 :               0.00011476295314
                   +0 :              -0.00001162548205
                   +1 :              -0.00000002267023
                3p
                   -1 :              -0.00000535662394
                   +0 :               0.00001306137664
                   +1 :               0.00000277827153
                3d
                   -2 :              -0.00000054402438
                   -1 :               0.00000098032949
                   +0 :               0.00000078512100
                   +1 :               0.00000134174536
                   +2 :              -0.00000080323944
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000928939639
                2s
                   +0 :              -0.00009541291475
                3s
                   +0 :               0.00002644570460
                2p
                   -1 :               0.00003487941563
                   +0 :               0.00001656201726
                   +1 :              -0.00012970319243
                3p
                   -1 :              -0.00002289316295
                   +0 :              -0.00000569098687
                   +1 :               0.00003780313092
                3d
                   -2 :              -0.00000508062611
                   -1 :               0.00000362624718
                   +0 :               0.00000236601399
                   +1 :               0.00000109495656
                   +2 :              -0.00000192427190
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000593706827
                2s
                   +0 :               0.00008609649706
                3s
                   +0 :              -0.00001344951344
                2p
                   -1 :               0.00000220327023
                   +0 :              -0.00004411960542
                   +1 :               0.00007314852896
                3p
                   -1 :               0.00000940907031
                   +0 :               0.00002845573278
                   +1 :               0.00001086850142
                3d
                   -2 :              -0.00000140756611
                   -1 :               0.00000280194002
                   +0 :               0.00000082411746
                   +1 :              -0.00000196020083
                   +2 :               0.00000117297053
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al(  1)  npairs=  14
              1 vec=    -2.593388     -1.738956     -1.580534   |vec|=    3.499674
                2s
                   +0 :              -0.02279282932728
                2p
                   -1 :               0.01154283033079
                   +0 :               0.00424155061648
                   +1 :               0.01909124412755
                3s
                   +0 :              -0.03158360272145
                4s
                   +0 :              -0.00964310220249
                3p
                   -1 :               0.03452104545557
                   +0 :              -0.01501928115069
                   +1 :               0.04593592700601
                4p
                   -1 :               0.00334520695032
                   +0 :               0.00313839889713
                   +1 :               0.00921566601102
                3d
                   -2 :              -0.03419575183115
                   -1 :              -0.00004098391435
                   +0 :               0.03019818976590
                   +1 :              -0.00172562456377
                   +2 :              -0.01547884828622
              2 vec=     5.186775      2.752923     -1.580534   |vec|=    6.081062
                2s
                   +0 :               0.00166074945652
                2p
                   -1 :               0.00063431203954
                   +0 :               0.00030635612608
                   +1 :               0.00118846516683
                3s
                   +0 :              -0.00395871534087
                4s
                   +0 :               0.00345468709900
                3p
                   -1 :              -0.00477540698073
                   +0 :               0.00130608084492
                   +1 :              -0.00306650637290
                4p
                   -1 :               0.00140106509761
                   +0 :               0.00040796262463
                   +1 :               0.00140471385145
                3d
                   -2 :              -0.00238835074112
                   -1 :               0.00069608471523
                   +0 :              -0.00015331025113
                   +1 :               0.00130010343318
                   +2 :              -0.00039511603154
              3 vec=    -2.593388      7.244802     -1.580534   |vec|=    7.855629
                2s
                   +0 :              -0.00017344746521
                2p
                   -1 :              -0.00026727930476
                   +0 :              -0.00022075681872
                   +1 :              -0.00070941121628
                3s
                   +0 :               0.00567886376849
                4s
                   +0 :              -0.00088632428500
                3p
                   -1 :               0.00750447824773
                   +0 :               0.00138434531189
                   +1 :               0.00292006112293
                4p
                   -1 :              -0.00079526810371
                   +0 :              -0.00104029347157
                   +1 :              -0.00084470573958
                3d
                   -2 :               0.00086952222301
                   -1 :              -0.00075123562200
                   +0 :              -0.00112225267537
                   +1 :              -0.00027850209099
                   +2 :              -0.00199752916571
              4 vec=     5.186775     -6.230835     -1.580534   |vec|=    8.259784
                2s
                   +0 :               0.00055635276062
                2p
                   -1 :              -0.00093862866739
                   +0 :               0.00022697740332
                   +1 :               0.00014037972677
                3s
                   +0 :              -0.00230277808961
                4s
                   +0 :               0.00079872137181
                3p
                   -1 :               0.00427734853603
                   +0 :              -0.00100504320792
                   +1 :               0.00004554532591
                4p
                   -1 :              -0.00136862075280
                   +0 :               0.00020488885666
                   +1 :              -0.00005209678038
                3d
                   -2 :               0.00041118157033
                   -1 :              -0.00056893868396
                   +0 :              -0.00000874519985
                   +1 :              -0.00060026590844
                   +2 :               0.00076788400352
              5 vec=   -10.373550      2.752923     -1.580534   |vec|=   10.848374
                2s
                   +0 :              -0.00013545092216
                2p
                   -1 :               0.00003848834275
                   +0 :               0.00009222408548
                   +1 :               0.00001449007972
                3s
                   +0 :              -0.00048670634171
                4s
                   +0 :               0.00003364312412
                3p
                   -1 :              -0.00084254863790
                   +0 :              -0.00123633008813
                   +1 :               0.00075288619890
                4p
                   -1 :               0.00020443298267
                   +0 :               0.00014201760164
                   +1 :              -0.00025025089669
                3d
                   -2 :               0.00017198229798
                   -1 :              -0.00001305000661
                   +0 :              -0.00015340993981
                   +1 :               0.00033078399565
                   +2 :              -0.00000155615316
              6 vec=    -2.593388    -10.722714     -1.580534   |vec|=   11.144521
                2s
                   +0 :              -0.00000697497862
                2p
                   -1 :              -0.00003212081317
                   +0 :              -0.00002193452678
                   +1 :               0.00005874434778
                3s
                   +0 :              -0.00112247511881
                4s
                   +0 :               0.00033614905567
                3p
                   -1 :               0.00094843944896
                   +0 :              -0.00047927046382
                   +1 :              -0.00022290435442
                4p
                   -1 :              -0.00028311644515
                   +0 :               0.00005655282876
                   +1 :              -0.00000248049540
                3d
                   -2 :               0.00024785304650
                   -1 :               0.00022634194287
                   +0 :              -0.00016664997424
                   +1 :              -0.00013461215895
                   +2 :               0.00013001796688
              7 vec=   -10.373550     -6.230835     -1.580534   |vec|=   12.203767
                2s
                   +0 :               0.00018967438761
                2p
                   -1 :              -0.00013141861728
                   +0 :              -0.00023370649383
                   +1 :              -0.00001557939120
                3s
                   +0 :              -0.00037843379392
                4s
                   +0 :              -0.00010240303397
                3p
                   -1 :               0.00058418118808
                   +0 :               0.00112391927831
                   +1 :              -0.00003908015404
                4p
                   -1 :              -0.00001728576759
                   +0 :              -0.00028939037054
                   +1 :               0.00010520856762
                3d
                   -2 :              -0.00007654045981
                   -1 :              -0.00013068394455
                   +0 :              -0.00004944893311
                   +1 :              -0.00007593992733
                   +2 :               0.00005840145549
              8 vec=     5.186775     11.736681     -1.580534   |vec|=   12.928666
                2s
                   +0 :               0.00009253358128
                2p
                   -1 :              -0.00012346788750
                   +0 :               0.00020418809949
                   +1 :               0.00016298086133
                3s
                   +0 :              -0.00061779088918
                4s
                   +0 :               0.00031631594848
                3p
                   -1 :               0.00045910389025
                   +0 :              -0.00085242078850
                   +1 :              -0.00088233989525
                4p
                   -1 :              -0.00004842933095
                   +0 :               0.00021612139733
                   +1 :               0.00025179186923
                3d
                   -2 :               0.00005150878083
                   -1 :              -0.00018271842799
                   +0 :              -0.00011381967332
                   +1 :              -0.00013567991123
                   +2 :              -0.00028548754508
              9 vec=    12.966938     -1.738956     -1.580534   |vec|=   13.178146
                2s
                   +0 :              -0.00021565695149
                2p
                   -1 :               0.00010675385878
                   +0 :              -0.00000728136640
                   +1 :              -0.00010980250783
                3s
                   +0 :               0.00048080131879
                4s
                   +0 :              -0.00024263840655
                3p
                   -1 :              -0.00046516391890
                   +0 :               0.00038101043142
                   +1 :               0.00041904240726
                4p
                   -1 :               0.00014482244052
                   +0 :              -0.00007085100176
                   +1 :              -0.00011357010440
                3d
                   -2 :              -0.00007118625591
                   -1 :              -0.00002339982056
                   +0 :              -0.00011749266213
                   +1 :              -0.00004125212564
                   +2 :               0.00001337886677
             10 vec=    12.966938      7.244802     -1.580534   |vec|=   14.937427
                2s
                   +0 :              -0.00007061690141
                2p
                   -1 :               0.00001303028248
                   +0 :               0.00001490487611
                   +1 :               0.00000369711478
                3s
                   +0 :               0.00032154316062
                4s
                   +0 :              -0.00009149041681
                3p
                   -1 :              -0.00003713072531
                   +0 :               0.00007605783499
                   +1 :               0.00007750685150
                4p
                   -1 :               0.00001501475279
                   +0 :              -0.00001738982996
                   +1 :              -0.00003847848000
                3d
                   -2 :              -0.00001374932537
                   -1 :               0.00002118586415
                   +0 :              -0.00007485930689
                   +1 :               0.00002511390659
                   +2 :               0.00005592423759
             11 vec=   -10.373550     11.736681     -1.580534   |vec|=   15.743516
                2s
                   +0 :               0.00002005370059
                2p
                   -1 :               0.00002096464582
                   +0 :              -0.00000008354878
                   +1 :               0.00002771060734
                3s
                   +0 :              -0.00009141845884
                4s
                   +0 :               0.00005006690120
                3p
                   -1 :              -0.00012489423944
                   +0 :              -0.00010473544002
                   +1 :              -0.00014951801716
                4p
                   -1 :               0.00006082436364
                   +0 :               0.00005913939267
                   +1 :               0.00004913044327
                3d
                   -2 :              -0.00006454599218
                   -1 :              -0.00001940384623
                   +0 :              -0.00001344090827
                   +1 :               0.00001308629648
                   +2 :              -0.00000567529911
             12 vec=     5.186775    -15.214593     -1.580534   |vec|=   16.151921
                2s
                   +0 :               0.00003167780645
                2p
                   -1 :              -0.00001237108752
                   +0 :               0.00002006902495
                   +1 :              -0.00000598744632
                3s
                   +0 :              -0.00019441858144
                4s
                   +0 :               0.00006510287228
                3p
                   -1 :               0.00011008223760
                   +0 :              -0.00014789228430
                   +1 :               0.00005759693854
                4p
                   -1 :              -0.00002852896462
                   +0 :               0.00002050302582
                   +1 :              -0.00000697073902
                3d
                   -2 :              -0.00000450622591
                   -1 :               0.00003232975512
                   +0 :              -0.00004652007193
                   +1 :              -0.00001108933805
                   +2 :               0.00002070804530
             13 vec=    -2.593388     16.228560     -1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00003099945425
                2p
                   -1 :              -0.00002105476758
                   +0 :              -0.00000844953471
                   +1 :              -0.00000901158758
                3s
                   +0 :               0.00016751870803
                4s
                   +0 :              -0.00011965111350
                3p
                   -1 :               0.00017859335646
                   +0 :               0.00002464435194
                   +1 :               0.00001055409117
                4p
                   -1 :              -0.00007202102484
                   +0 :              -0.00000955205353
                   +1 :               0.00002895998491
                3d
                   -2 :               0.00000084436310
                   -1 :               0.00000467408003
                   +0 :               0.00002892070604
                   +1 :               0.00003005621656
                   +2 :              -0.00002985883470
             14 vec=    12.966938    -10.722714     -1.580534   |vec|=   16.900182
                2s
                   +0 :               0.00001180576570
                2p
                   -1 :               0.00002038784696
                   +0 :               0.00000882006138
                   +1 :              -0.00001252416491
                3s
                   +0 :              -0.00014515873162
                4s
                   +0 :               0.00005257269538
                3p
                   -1 :              -0.00007674692881
                   +0 :              -0.00005275964706
                   +1 :               0.00001368294721
                4p
                   -1 :               0.00002070836049
                   +0 :               0.00000570097325
                   +1 :               0.00001559272132
                3d
                   -2 :              -0.00003650684208
                   -1 :               0.00002922396109
                   +0 :              -0.00001985768716
                   +1 :               0.00001588693550
                   +2 :               0.00000668246416
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al(  2)  npairs=  14
              1 vec=    -2.593388     -1.738956      5.671791   |vec|=    6.474477
                2s
                   +0 :              -0.00465024836555
                2p
                   -1 :               0.00146000321708
                   +0 :              -0.00287097393845
                   +1 :               0.00175778528578
                3s
                   +0 :               0.01180530839129
                4s
                   +0 :              -0.00754748255185
                3p
                   -1 :              -0.00441314484022
                   +0 :               0.01213228714202
                   +1 :              -0.00640918653803
                4p
                   -1 :               0.00209955685412
                   +0 :              -0.00559034273080
                   +1 :               0.00330885157519
                3d
                   -2 :              -0.00146690282383
                   -1 :              -0.00043663611080
                   +0 :               0.00208453604350
                   +1 :              -0.00082009237707
                   +2 :              -0.00021958625373
              2 vec=     5.186775      2.752923      5.671791   |vec|=    8.163972
                2s
                   +0 :               0.00135879667261
                2p
                   -1 :               0.00045249981985
                   +0 :               0.00048643051227
                   +1 :               0.00118506306009
                3s
                   +0 :               0.00976767691996
                4s
                   +0 :               0.00150704949308
                3p
                   -1 :               0.00732959011911
                   +0 :               0.00035835547624
                   +1 :               0.00354796056354
                4p
                   -1 :              -0.00018309508376
                   +0 :               0.00039304494024
                   +1 :               0.00188191140125
                3d
                   -2 :               0.00353299668184
                   -1 :               0.00065005252897
                   +0 :              -0.00211837429380
                   +1 :               0.00025213736975
                   +2 :               0.00030048956553
              3 vec=    -2.593388      7.244802      5.671791   |vec|=    9.559395
                2s
                   +0 :               0.00043948173459
                2p
                   -1 :              -0.00084461705705
                   +0 :               0.00011289581343
                   +1 :              -0.00066208462220
                3s
                   +0 :              -0.00067017177050
                4s
                   +0 :               0.00015176915729
                3p
                   -1 :               0.00369878870273
                   +0 :              -0.00061545371017
                   +1 :               0.00319158488649
                4p
                   -1 :              -0.00081651723064
                   +0 :               0.00025207582225
                   +1 :              -0.00066410551644
                3d
                   -2 :              -0.00070705155156
                   -1 :               0.00089116931280
                   +0 :               0.00018470410211
                   +1 :               0.00029427006154
                   +2 :              -0.00078843923744
              4 vec=     5.186775     -6.230835      5.671791   |vec|=    9.894198
                2s
                   +0 :              -0.00004536644647
                2p
                   -1 :              -0.00027993675574
                   +0 :              -0.00036415577351
                   +1 :               0.00017369426758
                3s
                   +0 :              -0.00001989239786
                4s
                   +0 :               0.00016908654755
                3p
                   -1 :               0.00141589568261
                   +0 :               0.00229656008926
                   +1 :              -0.00070492047128
                4p
                   -1 :              -0.00054321841298
                   +0 :              -0.00063158877321
                   +1 :               0.00051115267410
                3d
                   -2 :              -0.00013627101742
                   -1 :              -0.00031208358394
                   +0 :               0.00021801123268
                   +1 :               0.00027195837960
                   +2 :               0.00043797758455
              5 vec=   -10.373550      2.752923      5.671791   |vec|=   12.139125
                2s
                   +0 :               0.00039248059899
                2p
                   -1 :               0.00021045981244
                   +0 :               0.00015622983060
                   +1 :              -0.00017128948318
                3s
                   +0 :              -0.00068610698104
                4s
                   +0 :               0.00040025046909
                3p
                   -1 :              -0.00058529136396
                   +0 :               0.00001820711770
                   +1 :               0.00087011853589
                4p
                   -1 :               0.00024137074003
                   +0 :               0.00011925120860
                   +1 :              -0.00023759703668
                3d
                   -2 :               0.00003670865085
                   -1 :               0.00005369045040
                   +0 :               0.00025530008805
                   +1 :              -0.00000947228120
                   +2 :              -0.00013374974831
              6 vec=    -2.593388    -10.722714      5.671791   |vec|=   12.404494
                2s
                   +0 :               0.00049473894077
                2p
                   -1 :              -0.00029932039035
                   +0 :               0.00018786627138
                   +1 :               0.00000990991342
                3s
                   +0 :              -0.00129811244541
                4s
                   +0 :               0.00026034964356
                3p
                   -1 :               0.00136004705095
                   +0 :              -0.00068438455856
                   +1 :               0.00007332009139
                4p
                   -1 :              -0.00018118185576
                   +0 :               0.00013580594768
                   +1 :               0.00010338445066
                3d
                   -2 :              -0.00011472994363
                   -1 :               0.00043418981801
                   +0 :               0.00011046931209
                   +1 :               0.00008943870191
                   +2 :               0.00038164705883
              7 vec=   -10.373550     -6.230835      5.671791   |vec|=   13.364246
                2s
                   +0 :              -0.00018288751307
                2p
                   -1 :              -0.00000971512519
                   +0 :              -0.00002326179112
                   +1 :               0.00014390872397
                3s
                   +0 :               0.00095907520355
                4s
                   +0 :              -0.00023685633396
                3p
                   -1 :              -0.00003467438120
                   +0 :              -0.00002839518030
                   +1 :              -0.00084978012766
                4p
                   -1 :               0.00001589807254
                   +0 :               0.00006542013321
                   +1 :               0.00019331826495
                3d
                   -2 :              -0.00003757864028
                   -1 :               0.00002622348142
                   +0 :               0.00002941495638
                   +1 :              -0.00005132235100
                   +2 :               0.00019892417799
              8 vec=     5.186775     11.736681      5.671791   |vec|=   14.029310
                2s
                   +0 :               0.00042416426793
                2p
                   -1 :               0.00012269844413
                   +0 :               0.00005509175988
                   +1 :               0.00027776348698
                3s
                   +0 :              -0.00108993094876
                4s
                   +0 :               0.00023456036987
                3p
                   -1 :              -0.00030408950259
                   +0 :              -0.00027170873328
                   +1 :              -0.00115851933628
                4p
                   -1 :              -0.00003818013218
                   +0 :               0.00006752476797
                   +1 :               0.00019907940785
                3d
                   -2 :              -0.00023289273345
                   -1 :              -0.00008943335538
                   +0 :               0.00008894881550
                   +1 :              -0.00015466594326
                   +2 :              -0.00008494976458
              9 vec=    12.966938     -1.738956      5.671791   |vec|=   14.259546
                2s
                   +0 :               0.00001822411071
                2p
                   -1 :               0.00005279403271
                   +0 :               0.00001945193530
                   +1 :              -0.00003937703494
                3s
                   +0 :              -0.00012809717917
                4s
                   +0 :               0.00010749721399
                3p
                   -1 :              -0.00031142151645
                   +0 :              -0.00027537603441
                   +1 :               0.00011532114304
                4p
                   -1 :               0.00003528074248
                   +0 :               0.00008736345418
                   +1 :               0.00002194117369
                3d
                   -2 :              -0.00005358547287
                   -1 :              -0.00004932701806
                   +0 :               0.00000709870600
                   +1 :               0.00001112913848
                   +2 :               0.00012190302514
             10 vec=    12.966938      7.244802      5.671791   |vec|=   15.899618
                2s
                   +0 :               0.00007935800861
                2p
                   -1 :              -0.00000162307041
                   +0 :              -0.00000523070979
                   +1 :               0.00001705467152
                3s
                   +0 :              -0.00023296485153
                4s
                   +0 :               0.00005276156524
                3p
                   -1 :              -0.00005234832441
                   +0 :               0.00002676303836
                   +1 :              -0.00003688262754
                4p
                   -1 :               0.00001081698483
                   +0 :              -0.00002215199934
                   +1 :              -0.00000666699547
                3d
                   -2 :              -0.00002029507323
                   -1 :              -0.00002563373039
                   +0 :              -0.00001790814328
                   +1 :              -0.00001213127644
                   +2 :               0.00000554900616
             11 vec=   -10.373550     11.736681      5.671791   |vec|=   16.659215
                2s
                   +0 :              -0.00004485706975
                2p
                   -1 :               0.00002368632848
                   +0 :               0.00000022942490
                   +1 :               0.00000873940240
                3s
                   +0 :               0.00023937416108
                4s
                   +0 :              -0.00003448966768
                3p
                   -1 :              -0.00014266408481
                   +0 :               0.00008466312382
                   +1 :              -0.00014397550685
                4p
                   -1 :               0.00004765161435
                   +0 :              -0.00001289932063
                   +1 :               0.00002161779827
                3d
                   -2 :               0.00003064193958
                   -1 :              -0.00003169682303
                   +0 :               0.00000986684350
                   +1 :              -0.00005975757030
                   +2 :               0.00003677283190
             12 vec=     5.186775    -15.214593      5.671791   |vec|=   17.045694
                2s
                   +0 :               0.00002915042714
                2p
                   -1 :              -0.00004634968507
                   +0 :               0.00000787093897
                   +1 :               0.00000349320074
                3s
                   +0 :               0.00000737824774
                4s
                   +0 :               0.00005448811550
                3p
                   -1 :               0.00014759532814
                   +0 :               0.00006253637490
                   +1 :              -0.00007078144845
                4p
                   -1 :              -0.00006072773224
                   +0 :              -0.00000556722641
                   +1 :               0.00001962091405
                3d
                   -2 :               0.00003896812786
                   -1 :               0.00000388754107
                   +0 :               0.00002852585816
                   +1 :              -0.00000998091284
                   +2 :               0.00003233523266
             13 vec=    -2.593388     16.228560      5.671791   |vec|=   17.385656
                2s
                   +0 :               0.00000091128990
                2p
                   -1 :              -0.00002949562377
                   +0 :               0.00000235665130
                   +1 :              -0.00001627703636
                3s
                   +0 :               0.00008447383149
                4s
                   +0 :              -0.00006504118070
                3p
                   -1 :               0.00021799991086
                   +0 :               0.00004517908868
                   +1 :               0.00008733391640
                4p
                   -1 :              -0.00008689791145
                   +0 :              -0.00003007049120
                   +1 :              -0.00001234084496
                3d
                   -2 :               0.00003550593600
                   -1 :               0.00002217993075
                   +0 :               0.00002893869194
                   +1 :               0.00000450909665
                   +2 :              -0.00004422009859
             14 vec=    12.966938    -10.722714      5.671791   |vec|=   17.756331
                2s
                   +0 :               0.00001181438789
                2p
                   -1 :              -0.00000236229827
                   +0 :              -0.00000086332281
                   +1 :               0.00002601620480
                3s
                   +0 :              -0.00004945553991
                4s
                   +0 :               0.00003516344514
                3p
                   -1 :               0.00000875539230
                   +0 :              -0.00001781573935
                   +1 :              -0.00013821496362
                4p
                   -1 :               0.00000009912906
                   +0 :               0.00001320115963
                   +1 :               0.00004889418654
                3d
                   -2 :               0.00001388953564
                   -1 :               0.00001280991801
                   +0 :               0.00000311416916
                   +1 :              -0.00001375717602
                   +2 :              -0.00000791544828
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Cr(  3)  npairs=  13
              1 vec=    -2.593388     -1.738956     -6.601980   |vec|=    7.303134
                3s
                   +0 :              -0.00120998659167
                3p
                   -1 :               0.00133593236124
                   +0 :               0.00285667634615
                   +1 :               0.00168677911534
                4s
                   +0 :               0.00120699361960
                5s
                   +0 :              -0.00068071513559
                3d
                   -2 :              -0.00284909034444
                   -1 :               0.00020989632392
                   +0 :              -0.00448060984872
                   +1 :              -0.00297113816780
                   +2 :              -0.00196360667580
                4d
                   -2 :              -0.00077360280848
                   -1 :              -0.00016324254516
                   +0 :               0.00010002630186
                   +1 :               0.00006941605740
                   +2 :              -0.00121060076344
                4p
                   -1 :              -0.00028933800501
                   +0 :               0.00254513203688
                   +1 :               0.00016094079538
              2 vec=     5.186775      2.752923     -6.601980   |vec|=    8.835573
                3s
                   +0 :              -0.00074581824579
                3p
                   -1 :               0.00029606322049
                   +0 :              -0.00055799449596
                   +1 :               0.00083183283312
                4s
                   +0 :               0.00920528352247
                5s
                   +0 :               0.00005624875289
                3d
                   -2 :               0.00293079267379
                   -1 :              -0.00309961580204
                   +0 :               0.00068474161357
                   +1 :              -0.00411542557003
                   +2 :               0.00147131527787
                4d
                   -2 :               0.00126319475308
                   -1 :              -0.00116287041415
                   +0 :               0.00014663403149
                   +1 :              -0.00150199977809
                   +2 :               0.00048896521447
                4p
                   -1 :               0.00230013129155
                   +0 :              -0.00358920501953
                   +1 :               0.00257195268805
              3 vec=    -2.593388      7.244802     -6.601980   |vec|=   10.138982
                3s
                   +0 :               0.00114148193096
                3p
                   -1 :              -0.00025616314713
                   +0 :              -0.00066367518345
                   +1 :              -0.00095326467078
                4s
                   +0 :              -0.00022419758632
                5s
                   +0 :              -0.00056770523079
                3d
                   -2 :               0.00012151562186
                   -1 :               0.00071960253581
                   +0 :               0.00083258536338
                   +1 :               0.00094237910911
                   +2 :               0.00105642142089
                4d
                   -2 :              -0.00074345497927
                   -1 :              -0.00045922049634
                   +0 :               0.00006787852443
                   +1 :              -0.00013719190595
                   +2 :              -0.00116832399176
                4p
                   -1 :               0.00108625107408
                   +0 :               0.00096467719997
                   +1 :               0.00144925150708
              4 vec=     5.186775     -6.230835     -6.601980   |vec|=   10.455242
                3s
                   +0 :              -0.00044783437955
                3p
                   -1 :              -0.00014663041569
                   +0 :               0.00013375443974
                   +1 :              -0.00001035198683
                4s
                   +0 :               0.00166739277747
                5s
                   +0 :              -0.00028638592258
                3d
                   -2 :               0.00005124744307
                   -1 :               0.00002370544648
                   +0 :               0.00024612907332
                   +1 :               0.00053034894673
                   +2 :              -0.00015762923016
                4d
                   -2 :              -0.00027388652240
                   -1 :               0.00015171339603
                   +0 :               0.00010058660835
                   +1 :              -0.00028466748978
                   +2 :              -0.00015700135073
                4p
                   -1 :              -0.00023347561695
                   +0 :              -0.00020979014503
                   +1 :               0.00031978736486
              5 vec=   -10.373550      2.752923     -6.601980   |vec|=   12.600606
                3s
                   +0 :              -0.00043510583295
                3p
                   -1 :              -0.00005861099046
                   +0 :               0.00013820229957
                   +1 :               0.00025311242942
                4s
                   +0 :               0.00064397710140
                5s
                   +0 :               0.00002747014830
                3d
                   -2 :               0.00013391305734
                   -1 :              -0.00021909499426
                   +0 :               0.00036751935459
                   +1 :              -0.00011921977407
                   +2 :              -0.00028709198990
                4d
                   -2 :              -0.00003814221408
                   -1 :              -0.00010755327418
                   +0 :               0.00013979152069
                   +1 :               0.00007837255995
                   +2 :              -0.00010400375109
                4p
                   -1 :               0.00018370854922
                   +0 :              -0.00043579296559
                   +1 :              -0.00027527595413
              6 vec=    -2.593388    -10.722714     -6.601980   |vec|=   12.856453
                3s
                   +0 :               0.00044911317172
                3p
                   -1 :              -0.00015121078432
                   +0 :              -0.00021518109724
                   +1 :              -0.00012123208078
                4s
                   +0 :              -0.00092749848966
                5s
                   +0 :               0.00008294580537
                3d
                   -2 :              -0.00012352337518
                   -1 :               0.00026045288379
                   +0 :               0.00028405729166
                   +1 :              -0.00014805228415
                   +2 :               0.00007900685409
                4d
                   -2 :              -0.00009829094698
                   -1 :              -0.00034785014101
                   +0 :              -0.00003921204295
                   +1 :              -0.00001310431897
                   +2 :               0.00009471050519
                4p
                   -1 :               0.00033072929160
                   +0 :               0.00036833099097
                   +1 :               0.00028067832061
              7 vec=   -10.373550     -6.230835     -6.601980   |vec|=   13.784774
                3s
                   +0 :               0.00017470359221
                3p
                   -1 :              -0.00005994521725
                   +0 :              -0.00008764267451
                   +1 :               0.00001764903159
                4s
                   +0 :              -0.00019908206793
                5s
                   +0 :               0.00002248980280
                3d
                   -2 :               0.00001984401899
                   -1 :              -0.00018530761807
                   +0 :               0.00005082389345
                   +1 :              -0.00025189758702
                   +2 :               0.00021608926139
                4d
                   -2 :               0.00011954449542
                   -1 :              -0.00003469049599
                   +0 :               0.00006787154033
                   +1 :              -0.00009773630762
                   +2 :               0.00001218119660
                4p
                   -1 :               0.00005620577831
                   +0 :               0.00022024540760
                   +1 :              -0.00011809807197
              8 vec=     5.186775     11.736681     -6.601980   |vec|=   14.430470
                3s
                   +0 :               0.00014907034120
                3p
                   -1 :               0.00006272295774
                   +0 :               0.00005928881437
                   +1 :               0.00003580719879
                4s
                   +0 :              -0.00027187993320
                5s
                   +0 :               0.00004647932056
                3d
                   -2 :              -0.00005954814693
                   -1 :               0.00005925441904
                   +0 :               0.00002567954989
                   +1 :              -0.00003628326315
                   +2 :              -0.00001209584353
                4d
                   -2 :              -0.00000075633639
                   -1 :              -0.00001185680771
                   +0 :              -0.00003843939681
                   +1 :              -0.00000932386234
                   +2 :              -0.00006268314783
                4p
                   -1 :              -0.00004060130844
                   +0 :              -0.00008270502075
                   +1 :              -0.00008611416753
              9 vec=    12.966938     -1.738956     -6.601980   |vec|=   14.654405
                3s
                   +0 :               0.00010292365836
                3p
                   -1 :              -0.00005428692053
                   +0 :              -0.00003188655307
                   +1 :               0.00001691347358
                4s
                   +0 :              -0.00012830483451
                5s
                   +0 :              -0.00002173806563
                3d
                   -2 :              -0.00006033261785
                   -1 :              -0.00000503891130
                   +0 :               0.00001656719114
                   +1 :               0.00003915361010
                   +2 :              -0.00012621632515
                4d
                   -2 :               0.00000041016371
                   -1 :               0.00000975443719
                   +0 :               0.00001851192911
                   +1 :               0.00001534658667
                   +2 :              -0.00000120661817
                4p
                   -1 :               0.00007399979509
                   +0 :               0.00003869275997
                   +1 :              -0.00006364386401
             10 vec=    12.966938      7.244802     -6.601980   |vec|=   16.254684
                3s
                   +0 :              -0.00005513703512
                3p
                   -1 :              -0.00006426407550
                   +0 :               0.00004273565080
                   +1 :              -0.00000726673630
                4s
                   +0 :              -0.00005201037966
                5s
                   +0 :               0.00003426318310
                3d
                   -2 :              -0.00002327200587
                   -1 :               0.00000007788484
                   +0 :               0.00004471324811
                   +1 :              -0.00000553667404
                   +2 :               0.00003155752350
                4d
                   -2 :              -0.00000708919299
                   -1 :              -0.00003150797902
                   +0 :               0.00002920510026
                   +1 :              -0.00006319050188
                   +2 :              -0.00005753232433
                4p
                   -1 :               0.00002104500615
                   +0 :              -0.00016904707103
                   +1 :              -0.00003233960117
             11 vec=   -10.373550     11.736681     -6.601980   |vec|=   16.998422
                3s
                   +0 :              -0.00004487445526
                3p
                   -1 :               0.00000402846596
                   +0 :               0.00001120859145
                   +1 :               0.00002976602401
                4s
                   +0 :               0.00006238197569
                5s
                   +0 :               0.00002008825141
                3d
                   -2 :              -0.00000030013502
                   -1 :               0.00002196792456
                   +0 :               0.00006429122787
                   +1 :               0.00008057776030
                   +2 :              -0.00005369736922
                4d
                   -2 :               0.00000123608363
                   -1 :               0.00002294257585
                   +0 :              -0.00001373071977
                   +1 :              -0.00000587517841
                   +2 :               0.00001840547448
                4p
                   -1 :               0.00000886778335
                   +0 :              -0.00000262964546
                   +1 :              -0.00003585280446
             12 vec=     5.186775    -15.214593     -6.601980   |vec|=   17.377359
                3s
                   +0 :              -0.00002474867645
                3p
                   -1 :              -0.00000411949040
                   +0 :               0.00004618416569
                   +1 :               0.00002650874070
                4s
                   +0 :               0.00007792735903
                5s
                   +0 :               0.00001122679362
                3d
                   -2 :              -0.00006944553258
                   -1 :              -0.00000646494538
                   +0 :               0.00004687126612
                   +1 :               0.00012430605917
                   +2 :               0.00002272846346
                4d
                   -2 :               0.00004923710064
                   -1 :               0.00004604970933
                   +0 :               0.00001591686763
                   +1 :              -0.00002981750372
                   +2 :               0.00000076494854
                4p
                   -1 :              -0.00000358875857
                   +0 :              -0.00009748354960
                   +1 :              -0.00004182374323
             13 vec=    -2.593388     16.228560     -6.601980   |vec|=   17.710956
                3s
                   +0 :               0.00004193470868
                3p
                   -1 :               0.00003615744970
                   +0 :              -0.00004464882011
                   +1 :              -0.00004096774166
                4s
                   +0 :               0.00000308562541
                5s
                   +0 :              -0.00002609173828
                3d
                   -2 :               0.00001360096572
                   -1 :               0.00003723017042
                   +0 :              -0.00001112933084
                   +1 :               0.00001744530872
                   +2 :              -0.00003430730679
                4d
                   -2 :               0.00004042274401
                   -1 :               0.00003523631065
                   +0 :               0.00003392468097
                   +1 :               0.00000962074487
                   +2 :              -0.00000588017264
                4p
                   -1 :              -0.00003222699884
                   +0 :               0.00009022386937
                   +1 :               0.00009587699782
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al(  4)  npairs=  15
              1 vec=    -2.593388     -1.738956     10.693237   |vec|=   11.139791
                2s
                   +0 :               0.00083016672998
                2p
                   -1 :              -0.00029040850024
                   +0 :               0.00043726635392
                   +1 :              -0.00032292970637
                3s
                   +0 :              -0.00089724825695
                4s
                   +0 :               0.00031907129349
                3p
                   -1 :               0.00123196753837
                   +0 :              -0.00074460807740
                   +1 :               0.00258427593772
                4p
                   -1 :              -0.00014626585351
                   +0 :               0.00018054359429
                   +1 :              -0.00054011676511
                3d
                   -2 :              -0.00013222274702
                   -1 :               0.00015253481387
                   +0 :               0.00015780973811
                   +1 :               0.00032407331703
                   +2 :              -0.00010736161340
              2 vec=     5.186775      2.752923     10.693237   |vec|=   12.199448
                2s
                   +0 :               0.00005525040175
                2p
                   -1 :              -0.00004648036436
                   +0 :               0.00008503130912
                   +1 :               0.00008631713519
                3s
                   +0 :               0.00054200828217
                4s
                   +0 :              -0.00013350419238
                3p
                   -1 :               0.00077345846196
                   +0 :              -0.00038541457399
                   +1 :              -0.00037687457375
                4p
                   -1 :               0.00001109740508
                   +0 :              -0.00000712642903
                   +1 :               0.00004010284515
                3d
                   -2 :              -0.00027095512781
                   -1 :               0.00009415567766
                   +0 :              -0.00041241813188
                   +1 :              -0.00032812623808
                   +2 :              -0.00045926986514
              3 vec=    -2.593388      7.244802     10.693237   |vec|=   13.174146
                2s
                   +0 :              -0.00028697086891
                2p
                   -1 :               0.00011075744825
                   +0 :              -0.00002518200510
                   +1 :               0.00010550680656
                3s
                   +0 :               0.00243130068610
                4s
                   +0 :              -0.00033331968198
                3p
                   -1 :               0.00071341070279
                   +0 :               0.00120204663238
                   +1 :              -0.00071539174472
                4p
                   -1 :               0.00005390395426
                   +0 :              -0.00008944595663
                   +1 :               0.00020814976004
                3d
                   -2 :              -0.00003518123234
                   -1 :               0.00029479728763
                   +0 :               0.00018178141554
                   +1 :              -0.00013541610330
                   +2 :              -0.00018944286153
              4 vec=     5.186775     -6.230835     10.693237   |vec|=   13.419063
                2s
                   +0 :              -0.00023415701939
                2p
                   -1 :               0.00000922550780
                   +0 :               0.00000663866760
                   +1 :              -0.00001826489582
                3s
                   +0 :               0.00264150222590
                4s
                   +0 :              -0.00046640381361
                3p
                   -1 :              -0.00087274144642
                   +0 :               0.00113777868194
                   +1 :               0.00134736557342
                4p
                   -1 :               0.00015189718912
                   +0 :              -0.00009566956098
                   +1 :              -0.00006174695805
                3d
                   -2 :              -0.00036490777961
                   -1 :              -0.00019259247482
                   +0 :               0.00024551850821
                   +1 :               0.00047133209544
                   +2 :               0.00017127437238
              5 vec=    -2.593388     -1.738956    -13.854306   |vec|=   14.201810
                2s
                   +0 :               0.00002377801240
                2p
                   -1 :              -0.00002044229667
                   +0 :              -0.00007374723973
                   +1 :               0.00008394071318
                3s
                   +0 :              -0.00030263019294
                4s
                   +0 :               0.00014850110219
                3p
                   -1 :               0.00009519083136
                   +0 :               0.00064405371847
                   +1 :              -0.00028381983392
                4p
                   -1 :              -0.00002628981382
                   +0 :              -0.00023312208572
                   +1 :               0.00003320979852
                3d
                   -2 :              -0.00003348319910
                   -1 :              -0.00007418219218
                   +0 :              -0.00015832337318
                   +1 :               0.00004808907731
                   +2 :               0.00007991376919
              6 vec=     5.186775      2.752923    -13.854306   |vec|=   15.047359
                2s
                   +0 :               0.00007804679190
                2p
                   -1 :               0.00005077671897
                   +0 :              -0.00002276518384
                   +1 :               0.00008083958355
                3s
                   +0 :              -0.00018918463542
                4s
                   +0 :               0.00002266451523
                3p
                   -1 :              -0.00014347736378
                   +0 :               0.00002973956946
                   +1 :              -0.00024765684511
                4p
                   -1 :               0.00002260556041
                   +0 :              -0.00002486619451
                   +1 :               0.00000593221479
                3d
                   -2 :              -0.00008621714998
                   -1 :              -0.00001935994585
                   +0 :               0.00004245389045
                   +1 :               0.00000041038073
                   +2 :              -0.00004781475092
              7 vec=   -10.373550      2.752923     10.693237   |vec|=   15.150394
                2s
                   +0 :              -0.00002125661665
                2p
                   -1 :              -0.00003423546374
                   +0 :               0.00002113523259
                   +1 :              -0.00002182182802
                3s
                   +0 :               0.00005534432292
                4s
                   +0 :               0.00001323451932
                3p
                   -1 :               0.00009947645379
                   +0 :              -0.00019373960068
                   +1 :               0.00017125465414
                4p
                   -1 :               0.00000474785320
                   +0 :               0.00004681342870
                   +1 :              -0.00005097618119
                3d
                   -2 :               0.00002564127590
                   -1 :              -0.00001609828147
                   +0 :               0.00004268933166
                   +1 :               0.00004631321661
                   +2 :              -0.00003015071040
              8 vec=    -2.593388    -10.722714     10.693237   |vec|=   15.363840
                2s
                   +0 :              -0.00009678238591
                2p
                   -1 :               0.00001442502455
                   +0 :               0.00000340254937
                   +1 :               0.00003344830758
                3s
                   +0 :               0.00026335249653
                4s
                   +0 :               0.00001870255622
                3p
                   -1 :              -0.00002193218106
                   +0 :              -0.00009797368929
                   +1 :              -0.00019745973070
                4p
                   -1 :              -0.00003523880798
                   +0 :               0.00006962098245
                   +1 :               0.00003864041654
                3d
                   -2 :               0.00001947401709
                   -1 :               0.00000849941196
                   +0 :              -0.00000727243036
                   +1 :              -0.00000978094936
                   +2 :               0.00005342891184
              9 vec=    -2.593388      7.244802    -13.854306   |vec|=   15.847858
                2s
                   +0 :               0.00009364401324
                2p
                   -1 :               0.00004144203347
                   +0 :              -0.00001217973838
                   +1 :               0.00002372577539
                3s
                   +0 :              -0.00066454978881
                4s
                   +0 :               0.00013079586972
                3p
                   -1 :              -0.00034978730516
                   +0 :               0.00013414154136
                   +1 :               0.00012003660147
                4p
                   -1 :               0.00004634499717
                   +0 :              -0.00008441269043
                   +1 :              -0.00000190531264
                3d
                   -2 :               0.00008529944668
                   -1 :               0.00003699522163
                   +0 :               0.00003953691664
                   +1 :               0.00001371140861
                   +2 :              -0.00004819100207
             10 vec=     5.186775     -6.230835    -13.854306   |vec|=   16.052032
                2s
                   +0 :              -0.00002429261714
                2p
                   -1 :               0.00002076246474
                   +0 :               0.00000508717810
                   +1 :               0.00003510684526
                3s
                   +0 :              -0.00038697117062
                4s
                   +0 :               0.00007690188134
                3p
                   -1 :               0.00017840606090
                   +0 :               0.00008950850057
                   +1 :              -0.00014554658176
                4p
                   -1 :               0.00003780869052
                   +0 :              -0.00008398105873
                   +1 :               0.00006075830507
                3d
                   -2 :               0.00002550584463
                   -1 :               0.00004796134543
                   +0 :               0.00003180194841
                   +1 :               0.00003140688204
                   +2 :               0.00005829675029
             11 vec=   -10.373550     -6.230835     10.693237   |vec|=   16.148658
                2s
                   +0 :               0.00021681058642
                2p
                   -1 :              -0.00004951105747
                   +0 :               0.00007893508436
                   +1 :              -0.00007046539003
                3s
                   +0 :              -0.00071697845724
                4s
                   +0 :               0.00032329291602
                3p
                   -1 :               0.00020919528833
                   +0 :              -0.00035408688972
                   +1 :               0.00032573749504
                4p
                   -1 :              -0.00004401808072
                   +0 :               0.00014178402695
                   +1 :              -0.00009597256824
                3d
                   -2 :              -0.00004031785319
                   -1 :               0.00003743557485
                   +0 :              -0.00002107990844
                   +1 :               0.00004757192333
                   +2 :              -0.00000082437895
             12 vec=     5.186775     11.736681     10.693237   |vec|=   16.703222
                2s
                   +0 :               0.00006906705491
                2p
                   -1 :               0.00002333610018
                   +0 :               0.00004338038331
                   +1 :               0.00002277682860
                3s
                   +0 :              -0.00034576949473
                4s
                   +0 :               0.00010494912614
                3p
                   -1 :              -0.00024249362111
                   +0 :              -0.00029787064414
                   +1 :              -0.00012720787737
                4p
                   -1 :               0.00005365151523
                   +0 :               0.00006644137673
                   +1 :               0.00001448902190
                3d
                   -2 :              -0.00006096333663
                   -1 :              -0.00007544930324
                   +0 :              -0.00004761357062
                   +1 :              -0.00003991908276
                   +2 :              -0.00001301390141
             13 vec=    12.966938     -1.738956     10.693237   |vec|=   16.897064
                2s
                   +0 :              -0.00003168596984
                2p
                   -1 :               0.00000235575822
                   +0 :              -0.00000800735272
                   +1 :               0.00000708732153
                3s
                   +0 :               0.00009222938771
                4s
                   +0 :              -0.00000083406001
                3p
                   -1 :              -0.00001651678637
                   +0 :               0.00003423255691
                   +1 :              -0.00010939347385
                4p
                   -1 :               0.00000362590261
                   +0 :               0.00000300533084
                   +1 :               0.00004509034770
                3d
                   -2 :               0.00000795957378
                   -1 :              -0.00002106564894
                   +0 :               0.00002072093878
                   +1 :              -0.00001099833045
                   +2 :              -0.00002993562398
             14 vec=   -10.373550      2.752923    -13.854306   |vec|=   17.525151
                2s
                   +0 :              -0.00007479634744
                2p
                   -1 :              -0.00004225302218
                   +0 :               0.00002437717293
                   +1 :               0.00003984058205
                3s
                   +0 :               0.00001783285824
                4s
                   +0 :              -0.00004343995099
                3p
                   -1 :               0.00008383746110
                   +0 :              -0.00006053820039
                   +1 :              -0.00001978316873
                4p
                   -1 :              -0.00003104749348
                   +0 :               0.00001209861893
                   +1 :               0.00002617799526
                3d
                   -2 :               0.00002891930647
                   -1 :              -0.00001261656650
                   +0 :               0.00002081421835
                   +1 :               0.00001102599521
                   +2 :              -0.00000067598655
             15 vec=    -2.593388    -10.722714    -13.854306   |vec|=   17.709998
                2s
                   +0 :              -0.00005871674612
                2p
                   -1 :               0.00002971033950
                   +0 :               0.00001206268828
                   +1 :               0.00001855036527
                3s
                   +0 :               0.00015249674830
                4s
                   +0 :              -0.00001849505738
                3p
                   -1 :              -0.00012831038368
                   +0 :              -0.00004637123614
                   +1 :              -0.00010964933414
                4p
                   -1 :               0.00001632813941
                   +0 :               0.00000168732595
                   +1 :               0.00003401070303
                3d
                   -2 :               0.00003133515534
                   -1 :               0.00001881812616
                   +0 :              -0.00001090100573
                   +1 :               0.00001183130372
                   +2 :              -0.00005063650215
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al(  5)  npairs=  13
              1 vec=     2.593388     -1.738956      6.601898   |vec|=    7.303060
                2s
                   +0 :              -0.00164699847247
                2p
                   -1 :               0.00064236079418
                   +0 :              -0.00129154060961
                   +1 :              -0.00086028605971
                3s
                   +0 :               0.00679576182661
                4s
                   +0 :              -0.00246537407102
                3p
                   -1 :              -0.00105570070290
                   +0 :              -0.00030357688402
                   +1 :               0.00081283963695
                4p
                   -1 :               0.00007942863837
                   +0 :              -0.00174569899721
                   +1 :              -0.00027980353801
                3d
                   -2 :               0.00262036902405
                   -1 :               0.00134566137253
                   +0 :              -0.00265927104006
                   +1 :              -0.00218684519093
                   +2 :              -0.00221029536826
              2 vec=    -5.186775      2.752923      6.601898   |vec|=    8.835512
                2s
                   +0 :              -0.00122135847413
                2p
                   -1 :              -0.00019784543423
                   +0 :               0.00009859119368
                   +1 :              -0.00028552307218
                3s
                   +0 :               0.01661702538422
                4s
                   +0 :              -0.00034811504902
                3p
                   -1 :               0.00667678946973
                   +0 :               0.00822984520179
                   +1 :              -0.00753655560200
                4p
                   -1 :              -0.00032729405001
                   +0 :               0.00053650986912
                   +1 :              -0.00072701011481
                3d
                   -2 :              -0.00265375947715
                   -1 :               0.00242153467739
                   +0 :               0.00063255799029
                   +1 :              -0.00358149231689
                   +2 :               0.00110756244296
              3 vec=     2.593388      7.244802      6.601898   |vec|=   10.138928
                2s
                   +0 :               0.00063539268444
                2p
                   -1 :              -0.00056425271234
                   +0 :               0.00038840757767
                   +1 :               0.00053277706203
                3s
                   +0 :               0.00055687967042
                4s
                   +0 :              -0.00107362315937
                3p
                   -1 :               0.00407170693013
                   +0 :              -0.00110832417367
                   +1 :              -0.00163460960339
                4p
                   -1 :              -0.00146249213427
                   +0 :              -0.00024205816531
                   +1 :               0.00020794453689
                3d
                   -2 :               0.00054703566105
                   -1 :               0.00025604076691
                   +0 :               0.00038460541449
                   +1 :              -0.00028379160172
                   +2 :              -0.00122750989438
              4 vec=    -5.186775     -6.230835      6.601898   |vec|=   10.455190
                2s
                   +0 :              -0.00048064443977
                2p
                   -1 :               0.00009359410714
                   +0 :              -0.00001183573822
                   +1 :               0.00017679538652
                3s
                   +0 :               0.00243757445071
                4s
                   +0 :              -0.00080810513154
                3p
                   -1 :              -0.00138761963145
                   +0 :              -0.00020621508845
                   +1 :              -0.00128552028554
                4p
                   -1 :               0.00046161774115
                   +0 :               0.00007105519523
                   +1 :               0.00045446527560
                3d
                   -2 :               0.00037815794860
                   -1 :              -0.00002962711913
                   +0 :               0.00025637580995
                   +1 :              -0.00011650903545
                   +2 :              -0.00019483614080
              5 vec=    10.373550      2.752923      6.601898   |vec|=   12.600563
                2s
                   +0 :              -0.00027085662954
                2p
                   -1 :              -0.00005022386826
                   +0 :              -0.00010015176999
                   +1 :              -0.00004896082959
                3s
                   +0 :               0.00064693352217
                4s
                   +0 :              -0.00001309817206
                3p
                   -1 :               0.00037131577614
                   +0 :               0.00068852993528
                   +1 :              -0.00026066806854
                4p
                   -1 :              -0.00006053215525
                   +0 :              -0.00005717820503
                   +1 :               0.00021343166152
                3d
                   -2 :               0.00003195452098
                   -1 :               0.00016402552510
                   +0 :               0.00029645580186
                   +1 :               0.00012886201349
                   +2 :              -0.00019424251823
              6 vec=     2.593388    -10.722714      6.601898   |vec|=   12.856411
                2s
                   +0 :               0.00043222115072
                2p
                   -1 :              -0.00018028872136
                   +0 :               0.00013230745171
                   +1 :               0.00007803657879
                3s
                   +0 :              -0.00142702816639
                4s
                   +0 :               0.00046359337943
                3p
                   -1 :               0.00099325137159
                   +0 :              -0.00058385088190
                   +1 :              -0.00052479608233
                4p
                   -1 :              -0.00018056308525
                   +0 :               0.00017838194252
                   +1 :               0.00007164906468
                3d
                   -2 :               0.00007404861325
                   -1 :               0.00017773534906
                   +0 :               0.00005235731639
                   +1 :              -0.00001237749018
                   +2 :               0.00009251594967
              7 vec=    10.373550     -6.230835      6.601898   |vec|=   13.784734
                2s
                   +0 :               0.00014848372423
                2p
                   -1 :               0.00000973387368
                   +0 :               0.00008926543244
                   +1 :               0.00000340693285
                3s
                   +0 :              -0.00034705465982
                4s
                   +0 :               0.00018444376339
                3p
                   -1 :              -0.00015744465582
                   +0 :              -0.00053373570680
                   +1 :               0.00005520827214
                4p
                   -1 :               0.00005515349049
                   +0 :               0.00010346474425
                   +1 :               0.00005707549718
                3d
                   -2 :              -0.00007577540749
                   -1 :               0.00006029165144
                   +0 :               0.00002131177802
                   +1 :              -0.00006097386907
                   +2 :               0.00003157305520
              8 vec=    -5.186775     11.736681      6.601898   |vec|=   14.430432
                2s
                   +0 :               0.00008722737104
                2p
                   -1 :               0.00000632224415
                   +0 :              -0.00003980693007
                   +1 :              -0.00001553665065
                3s
                   +0 :              -0.00028995087323
                4s
                   +0 :               0.00012446803576
                3p
                   -1 :               0.00007705247476
                   +0 :               0.00009853334475
                   +1 :               0.00012277467798
                4p
                   -1 :              -0.00003315564063
                   +0 :               0.00003715855658
                   +1 :              -0.00000992386034
                3d
                   -2 :               0.00000664443836
                   -1 :               0.00000770412529
                   +0 :              -0.00006280385470
                   +1 :              -0.00002898577037
                   +2 :              -0.00011448515671
              9 vec=   -12.966938     -1.738956      6.601898   |vec|=   14.654368
                2s
                   +0 :               0.00004229748491
                2p
                   -1 :              -0.00002954138259
                   +0 :               0.00000450737852
                   +1 :              -0.00003105128828
                3s
                   +0 :              -0.00004995021045
                4s
                   +0 :              -0.00008137083653
                3p
                   -1 :               0.00002661384543
                   +0 :               0.00004904368863
                   +1 :               0.00021513263816
                4p
                   -1 :               0.00002496051765
                   +0 :              -0.00003356086142
                   +1 :              -0.00001796761179
                3d
                   -2 :              -0.00002239257985
                   -1 :              -0.00002023869162
                   +0 :               0.00000751930842
                   +1 :              -0.00000564385142
                   +2 :              -0.00001987416242
             10 vec=   -12.966938      7.244802      6.601898   |vec|=   16.254651
                2s
                   +0 :              -0.00008933682873
                2p
                   -1 :               0.00000313959540
                   +0 :              -0.00004567309024
                   +1 :               0.00002035885028
                3s
                   +0 :               0.00033002312396
                4s
                   +0 :              -0.00006839428465
                3p
                   -1 :              -0.00008306574311
                   +0 :               0.00022917740007
                   +1 :              -0.00010726114940
                4p
                   -1 :               0.00005391882862
                   +0 :              -0.00005254982321
                   +1 :               0.00000725281432
                3d
                   -2 :               0.00000055945711
                   -1 :               0.00002476108490
                   +0 :               0.00004003492329
                   +1 :              -0.00003146116503
                   +2 :               0.00002200642654
             11 vec=    10.373550     11.736681      6.601898   |vec|=   16.998390
                2s
                   +0 :              -0.00000751688505
                2p
                   -1 :               0.00000420712211
                   +0 :               0.00002298550727
                   +1 :               0.00000403841766
                3s
                   +0 :              -0.00010052182883
                4s
                   +0 :               0.00005937324753
                3p
                   -1 :              -0.00004038879578
                   +0 :              -0.00015137309177
                   +1 :              -0.00008082818581
                4p
                   -1 :               0.00001848036823
                   +0 :               0.00003624889807
                   +1 :               0.00004280439675
                3d
                   -2 :               0.00001695608593
                   -1 :              -0.00002666725641
                   +0 :              -0.00002110643145
                   +1 :              -0.00002447302161
                   +2 :              -0.00003353385444
             12 vec=    -5.186775    -15.214593      6.601898   |vec|=   17.377328
                2s
                   +0 :              -0.00001689306038
                2p
                   -1 :              -0.00000405872234
                   +0 :              -0.00003772236780
                   +1 :              -0.00002503572892
                3s
                   +0 :               0.00010732380273
                4s
                   +0 :              -0.00001285688728
                3p
                   -1 :               0.00000881443287
                   +0 :               0.00019074441210
                   +1 :               0.00013775878518
                4p
                   -1 :              -0.00001936637572
                   +0 :              -0.00003642495352
                   +1 :              -0.00003640533687
                3d
                   -2 :              -0.00003540125067
                   -1 :              -0.00004129636649
                   +0 :               0.00003503392094
                   +1 :              -0.00001452664836
                   +2 :              -0.00000039230125
             13 vec=     2.593388     16.228560      6.601898   |vec|=   17.710925
                2s
                   +0 :              -0.00001083752827
                2p
                   -1 :              -0.00001487401798
                   +0 :               0.00002696521655
                   +1 :               0.00002871213974
                3s
                   +0 :               0.00011131682526
                4s
                   +0 :              -0.00009141082673
                3p
                   -1 :               0.00013304872838
                   +0 :              -0.00010797255090
                   +1 :              -0.00016808727392
                4p
                   -1 :              -0.00006341670774
                   +0 :               0.00000874424219
                   +1 :               0.00005160872679
                3d
                   -2 :              -0.00000932461700
                   -1 :              -0.00003673197568
                   +0 :               0.00002095547259
                   +1 :               0.00000432991607
                   +2 :              -0.00002971420051
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al(  6)  npairs=  15
              1 vec=     2.593388     -1.738956    -10.693319   |vec|=   11.139869
                2s
                   +0 :              -0.00039881327333
                2p
                   -1 :               0.00020076322971
                   +0 :               0.00024662677735
                   +1 :              -0.00029221990011
                3s
                   +0 :              -0.00064534088090
                4s
                   +0 :              -0.00008958664814
                3p
                   -1 :              -0.00104883213286
                   +0 :               0.00012299278963
                   +1 :               0.00263446235037
                4p
                   -1 :               0.00006673339194
                   +0 :               0.00004690694346
                   +1 :              -0.00049732062461
                3d
                   -2 :              -0.00002117118520
                   -1 :               0.00018197823517
                   +0 :              -0.00024355442931
                   +1 :              -0.00038080898267
                   +2 :               0.00013971364552
              2 vec=    -5.186775      2.752923    -10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00011323608061
                2p
                   -1 :               0.00011772542245
                   +0 :               0.00000072891914
                   +1 :              -0.00000044993012
                3s
                   +0 :              -0.00107180844229
                4s
                   +0 :               0.00027724427453
                3p
                   -1 :              -0.00088157348391
                   +0 :               0.00016676684440
                   +1 :               0.00021180779669
                4p
                   -1 :               0.00018646455391
                   +0 :              -0.00009989275954
                   +1 :              -0.00008483050381
                3d
                   -2 :              -0.00021812637476
                   -1 :               0.00015446627871
                   +0 :               0.00019681642970
                   +1 :               0.00018518467464
                   +2 :               0.00021407112578
              3 vec=     2.593388      7.244802    -10.693319   |vec|=   13.174213
                2s
                   +0 :               0.00022176711433
                2p
                   -1 :              -0.00005306563061
                   +0 :               0.00000621783625
                   +1 :               0.00003276428017
                3s
                   +0 :              -0.00209168983165
                4s
                   +0 :               0.00012980123807
                3p
                   -1 :              -0.00061517390900
                   +0 :               0.00073967797302
                   +1 :              -0.00062980530022
                4p
                   -1 :              -0.00003246284388
                   +0 :               0.00002481396849
                   +1 :               0.00013791283737
                3d
                   -2 :              -0.00006035686164
                   -1 :               0.00023229434573
                   +0 :              -0.00010595984843
                   +1 :               0.00013021659694
                   +2 :               0.00013821519608
              4 vec=    -5.186775     -6.230835    -10.693319   |vec|=   13.419128
                2s
                   +0 :               0.00014072335043
                2p
                   -1 :              -0.00005004833092
                   +0 :              -0.00003025945536
                   +1 :              -0.00007356291256
                3s
                   +0 :              -0.00110357118137
                4s
                   +0 :               0.00054125407261
                3p
                   -1 :               0.00070617850199
                   +0 :               0.00060493473809
                   +1 :               0.00079538655758
                4p
                   -1 :              -0.00024430113045
                   +0 :              -0.00017023498856
                   +1 :              -0.00013199183682
                3d
                   -2 :              -0.00025024275774
                   -1 :              -0.00018622840909
                   +0 :              -0.00016459357239
                   +1 :              -0.00027898151938
                   +2 :              -0.00002569054132
              5 vec=     2.593388     -1.738956     13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00001036715600
                2p
                   -1 :               0.00001793803823
                   +0 :              -0.00001046443338
                   +1 :               0.00010287461938
                3s
                   +0 :               0.00002158854691
                4s
                   +0 :              -0.00005820031293
                3p
                   -1 :              -0.00001698720593
                   +0 :               0.00000733516118
                   +1 :              -0.00049085020474
                4p
                   -1 :               0.00000739559365
                   +0 :              -0.00000679587654
                   +1 :               0.00008315895628
                3d
                   -2 :              -0.00004795133876
                   -1 :              -0.00004653035688
                   +0 :              -0.00002151450266
                   +1 :              -0.00009362516037
                   +2 :              -0.00007576342060
              6 vec=    -5.186775      2.752923     13.854224   |vec|=   15.047283
                2s
                   +0 :              -0.00015561575991
                2p
                   -1 :              -0.00006392246566
                   +0 :              -0.00002151434027
                   +1 :               0.00011872690653
                3s
                   +0 :               0.00038563872618
                4s
                   +0 :              -0.00006981572044
                3p
                   -1 :               0.00024900284588
                   +0 :               0.00003761130727
                   +1 :              -0.00033910530801
                4p
                   -1 :              -0.00005173526729
                   +0 :              -0.00001495161772
                   +1 :               0.00001470581301
                3d
                   -2 :              -0.00011872108604
                   -1 :              -0.00001249435547
                   +0 :              -0.00007248052247
                   +1 :              -0.00002631242701
                   +2 :               0.00005328392705
              7 vec=    10.373550      2.752923    -10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00015366024069
                2p
                   -1 :               0.00009190719610
                   +0 :               0.00008206612043
                   +1 :              -0.00000796967554
                3s
                   +0 :               0.00111017180349
                4s
                   +0 :              -0.00006222925691
                3p
                   -1 :              -0.00081333006226
                   +0 :              -0.00076601788674
                   +1 :               0.00004738318848
                4p
                   -1 :               0.00005386830509
                   +0 :               0.00006313673210
                   +1 :               0.00002127350649
                3d
                   -2 :              -0.00007673563038
                   -1 :               0.00026151772935
                   +0 :               0.00010444048371
                   +1 :              -0.00006282407581
                   +2 :              -0.00022027980613
              8 vec=     2.593388    -10.722714    -10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00004251418465
                2p
                   -1 :               0.00002478670437
                   +0 :               0.00005674893318
                   +1 :               0.00006280743384
                3s
                   +0 :               0.00006179677150
                4s
                   +0 :              -0.00014673230734
                3p
                   -1 :              -0.00011464073433
                   +0 :              -0.00030695991618
                   +1 :              -0.00042875823168
                4p
                   -1 :               0.00006910517044
                   +0 :               0.00012799866136
                   +1 :               0.00008875574676
                3d
                   -2 :               0.00000615786336
                   -1 :               0.00004023857814
                   +0 :               0.00003188415955
                   +1 :               0.00008490755777
                   +2 :              -0.00004686695268
              9 vec=     2.593388      7.244802     13.854224   |vec|=   15.847786
                2s
                   +0 :              -0.00007985629639
                2p
                   -1 :              -0.00002150364443
                   +0 :              -0.00000522952650
                   +1 :               0.00001872102838
                3s
                   +0 :               0.00044466431823
                4s
                   +0 :              -0.00012773383296
                3p
                   -1 :               0.00020998852055
                   +0 :               0.00014756433200
                   +1 :               0.00009402401631
                4p
                   -1 :              -0.00003632963783
                   +0 :              -0.00007143861843
                   +1 :               0.00000321041329
                3d
                   -2 :               0.00004243958951
                   -1 :               0.00005416864975
                   +0 :               0.00000151125733
                   +1 :               0.00001511735020
                   +2 :               0.00005574322449
             10 vec=    -5.186775     -6.230835     13.854224   |vec|=   16.051961
                2s
                   +0 :               0.00005280706076
                2p
                   -1 :              -0.00002817359329
                   +0 :               0.00002096447330
                   +1 :               0.00002480525892
                3s
                   +0 :               0.00018680029576
                4s
                   +0 :              -0.00003989868165
                3p
                   -1 :              -0.00014081728164
                   +0 :               0.00007558486095
                   +1 :              -0.00013511927529
                4p
                   -1 :              -0.00004296049061
                   +0 :              -0.00005358915019
                   +1 :               0.00005316614456
                3d
                   -2 :               0.00005758824961
                   -1 :               0.00003455690629
                   +0 :              -0.00000821750208
                   +1 :              -0.00004105216178
                   +2 :              -0.00008853218150
             11 vec=    10.373550     -6.230835    -10.693319   |vec|=   16.148712
                2s
                   +0 :              -0.00008990764089
                2p
                   -1 :               0.00004759716737
                   +0 :               0.00002494376075
                   +1 :              -0.00003741580145
                3s
                   +0 :               0.00020258782437
                4s
                   +0 :              -0.00015463869556
                3p
                   -1 :              -0.00017333678687
                   +0 :              -0.00006658538584
                   +1 :               0.00013901102625
                4p
                   -1 :               0.00004427391573
                   +0 :               0.00006360877105
                   +1 :              -0.00005018417639
                3d
                   -2 :              -0.00004283105547
                   -1 :               0.00000940967121
                   +0 :              -0.00002266667036
                   +1 :              -0.00000026088704
                   +2 :              -0.00001418868485
             12 vec=    -5.186775     11.736681    -10.693319   |vec|=   16.703274
                2s
                   +0 :               0.00011646463415
                2p
                   -1 :               0.00003032217759
                   +0 :              -0.00004539275341
                   +1 :              -0.00005662039966
                3s
                   +0 :              -0.00053185159431
                4s
                   +0 :               0.00027146888850
                3p
                   -1 :              -0.00012025232081
                   +0 :               0.00024907899015
                   +1 :               0.00035205611387
                4p
                   -1 :               0.00006798277206
                   +0 :              -0.00012094852584
                   +1 :              -0.00012097619432
                3d
                   -2 :               0.00004295654755
                   -1 :               0.00001169923818
                   +0 :              -0.00003016461671
                   +1 :              -0.00002446032172
                   +2 :               0.00000131689711
             13 vec=   -12.966938     -1.738956    -10.693319   |vec|=   16.897115
                2s
                   +0 :              -0.00000071848842
                2p
                   -1 :              -0.00000505672454
                   +0 :              -0.00000191914273
                   +1 :               0.00002798409044
                3s
                   +0 :               0.00000316577435
                4s
                   +0 :              -0.00003772445939
                3p
                   -1 :               0.00003248655343
                   +0 :              -0.00003039282234
                   +1 :              -0.00016500814043
                4p
                   -1 :              -0.00001763665392
                   +0 :               0.00002244612171
                   +1 :               0.00005504928234
                3d
                   -2 :              -0.00002200925531
                   -1 :              -0.00000927260078
                   +0 :              -0.00001012254706
                   +1 :               0.00002382271381
                   +2 :               0.00001805116639
             14 vec=    10.373550      2.752923     13.854224   |vec|=   17.525086
                2s
                   +0 :               0.00001628740199
                2p
                   -1 :               0.00001615368802
                   +0 :               0.00001879992846
                   +1 :               0.00002678367920
                3s
                   +0 :               0.00037032540628
                4s
                   +0 :               0.00001743275515
                3p
                   -1 :               0.00016369312245
                   +0 :               0.00004854195198
                   +1 :               0.00020969273516
                4p
                   -1 :               0.00000092911703
                   +0 :               0.00000920325270
                   +1 :               0.00003451724923
                3d
                   -2 :               0.00010981942010
                   -1 :               0.00003312466506
                   +0 :              -0.00006229748395
                   +1 :               0.00003916865974
                   +2 :               0.00005125266376
             15 vec=     2.593388    -10.722714     13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00000922701785
                2p
                   -1 :              -0.00001350439156
                   +0 :              -0.00000103886612
                   +1 :               0.00001379294152
                3s
                   +0 :               0.00019337463429
                4s
                   +0 :              -0.00001732665357
                3p
                   -1 :              -0.00011276215739
                   +0 :               0.00008676233810
                   +1 :              -0.00002046897916
                4p
                   -1 :              -0.00000159299324
                   +0 :              -0.00002110838241
                   +1 :               0.00002494357506
                3d
                   -2 :              -0.00002849141449
                   -1 :              -0.00002451274212
                   +0 :              -0.00001826790161
                   +1 :               0.00001166162849
                   +2 :              -0.00000716758928
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al(  7)  npairs=  14
              1 vec=     2.593388     -1.738956      1.580453   |vec|=    3.499637
                2s
                   +0 :               0.02238546558545
                2p
                   -1 :              -0.01142227616306
                   +0 :               0.00419182264338
                   +1 :               0.01912483239368
                3s
                   +0 :               0.03323221067558
                4s
                   +0 :               0.00922502510025
                3p
                   -1 :              -0.03549188822101
                   +0 :              -0.01385582560884
                   +1 :               0.04670085684573
                4p
                   -1 :              -0.00315476116422
                   +0 :               0.00293185901386
                   +1 :               0.00916635913290
                3d
                   -2 :              -0.03426356272417
                   -1 :              -0.00001360302336
                   +0 :              -0.03066480955762
                   +1 :               0.00155486546904
                   +2 :               0.01543039711831
              2 vec=    -5.186775      2.752923      1.580453   |vec|=    6.081040
                2s
                   +0 :              -0.00183901394089
                2p
                   -1 :              -0.00066254583550
                   +0 :               0.00033603743437
                   +1 :               0.00132084205742
                3s
                   +0 :               0.00398033170042
                4s
                   +0 :              -0.00360011053776
                3p
                   -1 :               0.00510616301584
                   +0 :               0.00147880544893
                   +1 :              -0.00386059544823
                4p
                   -1 :              -0.00147044689418
                   +0 :               0.00050260468115
                   +1 :               0.00151137034522
                3d
                   -2 :              -0.00264768861054
                   -1 :               0.00081698471956
                   +0 :               0.00013557261530
                   +1 :              -0.00151542017511
                   +2 :               0.00049871311276
              3 vec=     2.593388      7.244802      1.580453   |vec|=    7.855612
                2s
                   +0 :               0.00024897901039
                2p
                   -1 :               0.00033890999347
                   +0 :              -0.00018515444157
                   +1 :              -0.00068742699784
                3s
                   +0 :              -0.00571321424101
                4s
                   +0 :               0.00097718754571
                3p
                   -1 :              -0.00747739353536
                   +0 :               0.00133698162853
                   +1 :               0.00282330535890
                4p
                   -1 :               0.00084645078478
                   +0 :              -0.00100268312974
                   +1 :              -0.00082903375864
                3d
                   -2 :               0.00090118841339
                   -1 :              -0.00074677841534
                   +0 :               0.00112470213706
                   +1 :               0.00030035487110
                   +2 :               0.00191575144938
              4 vec=    -5.186775     -6.230835      1.580453   |vec|=    8.259768
                2s
                   +0 :              -0.00055370164130
                2p
                   -1 :               0.00098203041187
                   +0 :               0.00020321349537
                   +1 :               0.00008530256009
                3s
                   +0 :               0.00235327235383
                4s
                   +0 :              -0.00084593075643
                3p
                   -1 :              -0.00444775191882
                   +0 :              -0.00090331255102
                   +1 :               0.00016838598572
                4p
                   -1 :               0.00141178432705
                   +0 :               0.00025178335336
                   +1 :              -0.00005612353933
                3d
                   -2 :               0.00042221925424
                   -1 :              -0.00054059182352
                   +0 :               0.00003405169709
                   +1 :               0.00056691652608
                   +2 :              -0.00067228218470
              5 vec=    10.373550      2.752923      1.580453   |vec|=   10.848362
                2s
                   +0 :               0.00013204421512
                2p
                   -1 :              -0.00003896026998
                   +0 :               0.00009874112448
                   +1 :               0.00001997093489
                3s
                   +0 :               0.00020657920543
                4s
                   +0 :              -0.00004848818444
                3p
                   -1 :               0.00071454124771
                   +0 :              -0.00140309198123
                   +1 :               0.00063942818273
                4p
                   -1 :              -0.00014809224125
                   +0 :               0.00019186573061
                   +1 :              -0.00025887185255
                3d
                   -2 :               0.00017092184020
                   -1 :               0.00001671418520
                   +0 :               0.00018166226149
                   +1 :              -0.00035425611333
                   +2 :               0.00000881879326
              6 vec=     2.593388    -10.722714      1.580453   |vec|=   11.144509
                2s
                   +0 :               0.00001292562929
                2p
                   -1 :               0.00002489614176
                   +0 :               0.00000280025212
                   +1 :               0.00004837698890
                3s
                   +0 :               0.00107683113532
                4s
                   +0 :              -0.00034391576683
                3p
                   -1 :              -0.00085217005887
                   +0 :              -0.00063583678114
                   +1 :              -0.00018294239364
                4p
                   -1 :               0.00025897504409
                   +0 :               0.00008413600138
                   +1 :              -0.00000477205194
                3d
                   -2 :               0.00024506930592
                   -1 :               0.00025152285700
                   +0 :               0.00026550191363
                   +1 :               0.00013407902292
                   +2 :              -0.00012766985044
              7 vec=    10.373550     -6.230835      1.580453   |vec|=   12.203757
                2s
                   +0 :              -0.00014205295700
                2p
                   -1 :               0.00011780934835
                   +0 :              -0.00022598326969
                   +1 :              -0.00002725119337
                3s
                   +0 :               0.00029729562067
                4s
                   +0 :               0.00005074841096
                3p
                   -1 :              -0.00053996692631
                   +0 :               0.00106355437784
                   +1 :               0.00007545168331
                4p
                   -1 :               0.00004268325558
                   +0 :              -0.00025239275033
                   +1 :               0.00003953539762
                3d
                   -2 :              -0.00009132181234
                   -1 :              -0.00011185671684
                   +0 :               0.00007707812155
                   +1 :               0.00007115711954
                   +2 :              -0.00003844399102
              8 vec=    -5.186775     11.736681      1.580453   |vec|=   12.928656
                2s
                   +0 :              -0.00007906332075
                2p
                   -1 :               0.00010926071568
                   +0 :               0.00020182707002
                   +1 :               0.00014973960733
                3s
                   +0 :               0.00047541645384
                4s
                   +0 :              -0.00029748350785
                3p
                   -1 :              -0.00046943754433
                   +0 :              -0.00086416845423
                   +1 :              -0.00077750473338
                4p
                   -1 :               0.00004264252616
                   +0 :               0.00020648189008
                   +1 :               0.00024444233682
                3d
                   -2 :               0.00007044886545
                   -1 :              -0.00014950842292
                   +0 :               0.00010914178778
                   +1 :               0.00011726177413
                   +2 :               0.00029941596874
              9 vec=   -12.966938     -1.738956      1.580453   |vec|=   13.178136
                2s
                   +0 :               0.00024007145940
                2p
                   -1 :              -0.00010397279295
                   +0 :               0.00001396557769
                   +1 :              -0.00013756413374
                3s
                   +0 :              -0.00059230484559
                4s
                   +0 :               0.00026969251680
                3p
                   -1 :               0.00041525242530
                   +0 :               0.00024955124423
                   +1 :               0.00059155943515
                4p
                   -1 :              -0.00013374704691
                   +0 :              -0.00004048211838
                   +1 :              -0.00012999112905
                3d
                   -2 :              -0.00008047217013
                   -1 :              -0.00002020962306
                   +0 :               0.00009939432701
                   +1 :               0.00004772206106
                   +2 :              -0.00004764755509
             10 vec=   -12.966938      7.244802      1.580453   |vec|=   14.937418
                2s
                   +0 :               0.00004890898697
                2p
                   -1 :              -0.00001223160019
                   +0 :               0.00002058294477
                   +1 :              -0.00001293651571
                3s
                   +0 :              -0.00018123295778
                4s
                   +0 :               0.00008426155476
                3p
                   -1 :               0.00005426444243
                   +0 :               0.00001174997364
                   +1 :               0.00017714676036
                4p
                   -1 :              -0.00001652033472
                   +0 :              -0.00001067886937
                   +1 :              -0.00007375950546
                3d
                   -2 :              -0.00002445665642
                   -1 :               0.00003416547187
                   +0 :               0.00006016706801
                   +1 :              -0.00004278786605
                   +2 :              -0.00005308602569
             11 vec=    10.373550     11.736681      1.580453   |vec|=   15.743508
                2s
                   +0 :              -0.00000589902755
                2p
                   -1 :              -0.00001947172952
                   +0 :              -0.00001128362120
                   +1 :               0.00002823039011
                3s
                   +0 :               0.00002495098208
                4s
                   +0 :              -0.00002528125700
                3p
                   -1 :               0.00011575981408
                   +0 :              -0.00006448141663
                   +1 :              -0.00013740727438
                4p
                   -1 :              -0.00005435164598
                   +0 :               0.00004894185390
                   +1 :               0.00004884896608
                3d
                   -2 :              -0.00004609773238
                   -1 :              -0.00001476523905
                   +0 :              -0.00000313029164
                   +1 :               0.00000714499987
                   +2 :               0.00001057367841
             12 vec=    -5.186775    -15.214593      1.580453   |vec|=   16.151913
                2s
                   +0 :              -0.00000688697296
                2p
                   -1 :              -0.00000002202830
                   +0 :               0.00001271553731
                   +1 :              -0.00000613531716
                3s
                   +0 :               0.00007695294615
                4s
                   +0 :              -0.00002404576543
                3p
                   -1 :              -0.00004407282117
                   +0 :              -0.00008248304103
                   +1 :               0.00006765213729
                4p
                   -1 :               0.00001142632433
                   +0 :              -0.00000203018421
                   +1 :              -0.00001304595037
                3d
                   -2 :              -0.00000403293775
                   -1 :               0.00001786581617
                   +0 :               0.00003968933716
                   +1 :               0.00000477604659
                   +2 :              -0.00002321511304
             13 vec=     2.593388     16.228560      1.580453   |vec|=   16.510289
                2s
                   +0 :               0.00002138823271
                2p
                   -1 :               0.00001994660936
                   +0 :               0.00000418875070
                   +1 :              -0.00000913443893
                3s
                   +0 :              -0.00020834003354
                4s
                   +0 :               0.00012275973763
                3p
                   -1 :              -0.00021560815037
                   +0 :              -0.00002151606649
                   +1 :              -0.00001181280144
                4p
                   -1 :               0.00009328122668
                   +0 :               0.00000220962048
                   +1 :               0.00002723882059
                3d
                   -2 :               0.00000250873762
                   -1 :              -0.00000179947340
                   +0 :              -0.00002244253117
                   +1 :              -0.00001694847033
                   +2 :               0.00003472275083
             14 vec=   -12.966938    -10.722714      1.580453   |vec|=   16.900175
                2s
                   +0 :              -0.00002716726336
                2p
                   -1 :              -0.00002226869231
                   +0 :               0.00001086384279
                   +1 :              -0.00000608916409
                3s
                   +0 :               0.00016130562713
                4s
                   +0 :              -0.00006695909934
                3p
                   -1 :               0.00009771079827
                   +0 :              -0.00003076860744
                   +1 :              -0.00000273214076
                4p
                   -1 :              -0.00001889041067
                   +0 :              -0.00000313192545
                   +1 :               0.00001431943496
                3d
                   -2 :              -0.00004200593037
                   -1 :               0.00002364047909
                   +0 :               0.00002027485119
                   +1 :              -0.00001381535202
                   +2 :              -0.00000583205245
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al(  8)  npairs=  14
              1 vec=     2.593388     -1.738956     -5.671873   |vec|=    6.474548
                2s
                   +0 :               0.00458074024907
                2p
                   -1 :              -0.00133298237413
                   +0 :              -0.00281790885624
                   +1 :               0.00173970315701
                3s
                   +0 :              -0.01192017222855
                4s
                   +0 :               0.00772348088032
                3p
                   -1 :               0.00384792794455
                   +0 :               0.01105196726462
                   +1 :              -0.00603583462760
                4p
                   -1 :              -0.00192254023716
                   +0 :              -0.00537553180911
                   +1 :               0.00339584147357
                3d
                   -2 :              -0.00137936743892
                   -1 :              -0.00030808028862
                   +0 :              -0.00157828989923
                   +1 :               0.00081590171899
                   +2 :               0.00049974075141
              2 vec=    -5.186775      2.752923     -5.671873   |vec|=    8.164029
                2s
                   +0 :              -0.00119729501936
                2p
                   -1 :              -0.00056741537421
                   +0 :               0.00042953249062
                   +1 :               0.00107793484874
                3s
                   +0 :              -0.01095029384150
                4s
                   +0 :              -0.00104497262669
                3p
                   -1 :              -0.00612680042515
                   +0 :               0.00011870022659
                   +1 :               0.00386785995002
                4p
                   -1 :              -0.00004100317441
                   +0 :               0.00039693252399
                   +1 :               0.00162891581043
                3d
                   -2 :               0.00307981050759
                   -1 :               0.00053122451429
                   +0 :               0.00191137729292
                   +1 :              -0.00055796541264
                   +2 :              -0.00045761724262
              3 vec=     2.593388      7.244802     -5.671873   |vec|=    9.559444
                2s
                   +0 :              -0.00055795551343
                2p
                   -1 :               0.00083558060456
                   +0 :               0.00004135052133
                   +1 :              -0.00072550423407
                3s
                   +0 :               0.00090777097929
                4s
                   +0 :              -0.00024563390002
                3p
                   -1 :              -0.00372366162759
                   +0 :              -0.00022155728025
                   +1 :               0.00350184480888
                4p
                   -1 :               0.00074863720982
                   +0 :               0.00018562883114
                   +1 :              -0.00060527417897
                3d
                   -2 :              -0.00071730710953
                   -1 :               0.00084914322807
                   +0 :              -0.00034066397605
                   +1 :              -0.00022317495901
                   +2 :               0.00084711059756
              4 vec=    -5.186775     -6.230835     -5.671873   |vec|=    9.894245
                2s
                   +0 :               0.00010764933444
                2p
                   -1 :               0.00022175272743
                   +0 :              -0.00043382917171
                   +1 :               0.00022311805411
                3s
                   +0 :              -0.00038707266941
                4s
                   +0 :              -0.00003322778824
                3p
                   -1 :              -0.00099223910260
                   +0 :               0.00240279694132
                   +1 :              -0.00088960294260
                4p
                   -1 :               0.00035772803718
                   +0 :              -0.00067887881429
                   +1 :               0.00051419508125
                3d
                   -2 :              -0.00004166481109
                   -1 :              -0.00021303907777
                   +0 :              -0.00013028750835
                   +1 :              -0.00007766250276
                   +2 :              -0.00033333011887
              5 vec=    10.373550      2.752923     -5.671873   |vec|=   12.139163
                2s
                   +0 :              -0.00032803050586
                2p
                   -1 :              -0.00014032059196
                   +0 :               0.00005637665583
                   +1 :              -0.00012248952248
                3s
                   +0 :               0.00063121375723
                4s
                   +0 :              -0.00030465479265
                3p
                   -1 :               0.00031168176065
                   +0 :               0.00032396839716
                   +1 :               0.00023951780964
                4p
                   -1 :              -0.00013553608983
                   +0 :               0.00000931683185
                   +1 :              -0.00011816215806
                3d
                   -2 :               0.00012225398129
                   -1 :              -0.00017924762368
                   +0 :              -0.00006134146868
                   +1 :              -0.00017346804422
                   +2 :              -0.00014278530089
              6 vec=     2.593388    -10.722714     -5.671873   |vec|=   12.404532
                2s
                   +0 :              -0.00054423253314
                2p
                   -1 :               0.00033170353186
                   +0 :               0.00015589323116
                   +1 :               0.00000048429230
                3s
                   +0 :               0.00141185316634
                4s
                   +0 :              -0.00031776771651
                3p
                   -1 :              -0.00147695925830
                   +0 :              -0.00046689315174
                   +1 :               0.00015312781880
                4p
                   -1 :               0.00021247782760
                   +0 :               0.00008913593452
                   +1 :               0.00007415624291
                3d
                   -2 :              -0.00014868938574
                   -1 :               0.00040052258082
                   +0 :              -0.00017105626427
                   +1 :              -0.00011869698838
                   +2 :              -0.00040898394431
              7 vec=    10.373550     -6.230835     -5.671873   |vec|=   13.364281
                2s
                   +0 :               0.00022497161268
                2p
                   -1 :               0.00000320943923
                   +0 :               0.00000825742952
                   +1 :               0.00014193738893
                3s
                   +0 :              -0.00113322996181
                4s
                   +0 :               0.00018692438162
                3p
                   -1 :               0.00010613295384
                   +0 :              -0.00014751209059
                   +1 :              -0.00073312026014
                4p
                   -1 :              -0.00002449278345
                   +0 :               0.00007206696462
                   +1 :               0.00012639580280
                3d
                   -2 :              -0.00005014987693
                   -1 :               0.00002897249101
                   +0 :              -0.00003632699078
                   +1 :               0.00001842848222
                   +2 :              -0.00018972068661
              8 vec=    -5.186775     11.736681     -5.671873   |vec|=   14.029343
                2s
                   +0 :              -0.00030623924278
                2p
                   -1 :              -0.00010517458430
                   +0 :               0.00010182817966
                   +1 :               0.00027303399778
                3s
                   +0 :               0.00107399577380
                4s
                   +0 :              -0.00042655529669
                3p
                   -1 :               0.00053550863954
                   +0 :              -0.00036146034114
                   +1 :              -0.00128105316316
                4p
                   -1 :              -0.00017939214154
                   +0 :               0.00002389895105
                   +1 :               0.00030519025905
                3d
                   -2 :              -0.00019920161026
                   -1 :              -0.00012732678279
                   +0 :              -0.00006015919926
                   +1 :               0.00021431135244
                   +2 :               0.00012158053531
              9 vec=   -12.966938     -1.738956     -5.671873   |vec|=   14.259579
                2s
                   +0 :              -0.00005861823814
                2p
                   -1 :              -0.00008869820020
                   +0 :               0.00001003766395
                   +1 :              -0.00001365770158
                3s
                   +0 :               0.00019074923382
                4s
                   +0 :              -0.00009183867201
                3p
                   -1 :               0.00047311784014
                   +0 :              -0.00013713545916
                   +1 :               0.00001777802353
                4p
                   -1 :              -0.00008642539312
                   +0 :               0.00006569057683
                   +1 :               0.00003388173596
                3d
                   -2 :              -0.00009647537797
                   -1 :              -0.00006403446408
                   +0 :              -0.00004216417667
                   +1 :              -0.00004053327745
                   +2 :              -0.00011135647070
             10 vec=   -12.966938      7.244802     -5.671873   |vec|=   15.899647
                2s
                   +0 :              -0.00004869007116
                2p
                   -1 :              -0.00001057663902
                   +0 :               0.00002349976394
                   +1 :               0.00000828715316
                3s
                   +0 :               0.00012552848930
                4s
                   +0 :              -0.00001614485441
                3p
                   -1 :               0.00008738229297
                   +0 :              -0.00007523789854
                   +1 :               0.00001895880649
                4p
                   -1 :              -0.00001896942164
                   +0 :              -0.00000368743615
                   +1 :              -0.00002284976123
                3d
                   -2 :              -0.00001627970881
                   -1 :              -0.00001621071633
                   +0 :               0.00002228795435
                   +1 :               0.00004231805981
                   +2 :               0.00001002497266
             11 vec=    10.373550     11.736681     -5.671873   |vec|=   16.659243
                2s
                   +0 :               0.00002107885781
                2p
                   -1 :              -0.00001353385796
                   +0 :              -0.00002116950219
                   +1 :               0.00000671809297
                3s
                   +0 :              -0.00003268211840
                4s
                   +0 :               0.00003016845535
                3p
                   -1 :               0.00016431352942
                   +0 :               0.00035007605676
                   +1 :              -0.00018592412893
                4p
                   -1 :              -0.00002649138490
                   +0 :              -0.00003175600357
                   +1 :               0.00001199722273
                3d
                   -2 :               0.00003118401150
                   -1 :               0.00002395134035
                   +0 :               0.00003207373431
                   +1 :               0.00005754272028
                   +2 :              -0.00004638574174
             12 vec=    -5.186775    -15.214593     -5.671873   |vec|=   17.045722
                2s
                   +0 :              -0.00003906703438
                2p
                   -1 :               0.00004506227003
                   +0 :               0.00002135605290
                   +1 :              -0.00000344009208
                3s
                   +0 :               0.00001197945376
                4s
                   +0 :              -0.00003006790726
                3p
                   -1 :              -0.00011358875321
                   +0 :              -0.00003888269118
                   +1 :              -0.00001944615104
                4p
                   -1 :               0.00004595466343
                   +0 :               0.00002551959375
                   +1 :               0.00000694192888
                3d
                   -2 :               0.00003174113049
                   -1 :               0.00001508244064
                   +0 :              -0.00001475744780
                   +1 :              -0.00000439442654
                   +2 :              -0.00002667109640
             13 vec=     2.593388     16.228560     -5.671873   |vec|=   17.385683
                2s
                   +0 :              -0.00000183688916
                2p
                   -1 :               0.00003066137190
                   +0 :              -0.00000783839957
                   +1 :              -0.00000192265074
                3s
                   +0 :              -0.00013087230350
                4s
                   +0 :               0.00006599314102
                3p
                   -1 :              -0.00025040509323
                   +0 :               0.00006428724149
                   +1 :               0.00001214227033
                4p
                   -1 :               0.00008976194017
                   +0 :              -0.00003570756827
                   +1 :               0.00001087226808
                3d
                   -2 :               0.00000527125991
                   -1 :               0.00003454789632
                   +0 :              -0.00003342116918
                   +1 :              -0.00001073939925
                   +2 :               0.00005348525462
             14 vec=   -12.966938    -10.722714     -5.671873   |vec|=   17.756357
                2s
                   +0 :              -0.00001042446590
                2p
                   -1 :               0.00001087069700
                   +0 :               0.00000706413347
                   +1 :               0.00001691429904
                3s
                   +0 :               0.00007217433552
                4s
                   +0 :              -0.00005145183039
                3p
                   -1 :              -0.00007294502701
                   +0 :              -0.00006696238426
                   +1 :              -0.00010094985306
                4p
                   -1 :               0.00002521158971
                   +0 :               0.00002096792894
                   +1 :               0.00004878241188
                3d
                   -2 :               0.00001141016451
                   -1 :               0.00001464419856
                   +0 :              -0.00000120436950
                   +1 :               0.00000677202171
                   +2 :               0.00000465934242
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al(  9)  npairs=  13
              1 vec=     0.000000      2.752923     -9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00023008759793
                2p
                   -1 :              -0.00019829522747
                   +0 :              -0.00018249755129
                   +1 :               0.00009132996955
                3s
                   +0 :              -0.00088276250473
                4s
                   +0 :               0.00022104551030
                3p
                   -1 :               0.00146027310972
                   +0 :               0.00156002575953
                   +1 :              -0.00053351911463
                4p
                   -1 :              -0.00008664532283
                   +0 :              -0.00054070981931
                   +1 :               0.00015275059762
                3d
                   -2 :               0.00029022841067
                   -1 :               0.00047710272339
                   +0 :               0.00003824011569
                   +1 :              -0.00008370028623
                   +2 :               0.00008307770365
              2 vec=     0.000000     -6.230835     -9.762967   |vec|=   11.581832
                2s
                   +0 :               0.00084555355852
                2p
                   -1 :              -0.00012289756711
                   +0 :              -0.00016515354026
                   +1 :              -0.00013236125188
                3s
                   +0 :              -0.00353506783667
                4s
                   +0 :               0.00119054142580
                3p
                   -1 :               0.00078432827356
                   +0 :               0.00182296891483
                   +1 :               0.00068659062432
                4p
                   -1 :              -0.00020778119897
                   +0 :              -0.00047034178091
                   +1 :              -0.00023931760774
                3d
                   -2 :              -0.00001310961639
                   -1 :              -0.00014412526586
                   +0 :              -0.00040448644253
                   +1 :               0.00004765957674
                   +2 :              -0.00019970536267
              3 vec=    -7.780163     -1.738956     -9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00027053855354
                2p
                   -1 :               0.00011737844980
                   +0 :               0.00010839599051
                   +1 :               0.00023978311294
                3s
                   +0 :              -0.00084047372921
                4s
                   +0 :              -0.00003832044870
                3p
                   -1 :               0.00054738190574
                   +0 :               0.00029045011833
                   +1 :               0.00069811764004
                4p
                   -1 :               0.00004540406115
                   +0 :              -0.00006586170628
                   +1 :               0.00012769500057
                3d
                   -2 :              -0.00031950126550
                   -1 :              -0.00002952320993
                   +0 :               0.00030751267112
                   +1 :              -0.00019392929563
                   +2 :              -0.00031117229883
              4 vec=     7.780163     -1.738956     -9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00004873526171
                2p
                   -1 :              -0.00010620563528
                   +0 :               0.00003974226744
                   +1 :              -0.00010077369488
                3s
                   +0 :              -0.00142261473045
                4s
                   +0 :               0.00000998603798
                3p
                   -1 :               0.00062311594937
                   +0 :               0.00021770202068
                   +1 :              -0.00070688584612
                4p
                   -1 :              -0.00014902490928
                   +0 :              -0.00000840199455
                   +1 :              -0.00020302303398
                3d
                   -2 :               0.00008504816739
                   -1 :               0.00002308872086
                   +0 :               0.00022844583537
                   +1 :               0.00013114611022
                   +2 :              -0.00024762535674
              5 vec=    -7.780163      7.244802     -9.762967   |vec|=   14.433766
                2s
                   +0 :              -0.00019876116247
                2p
                   -1 :              -0.00006826594801
                   +0 :               0.00005436795061
                   +1 :               0.00000723425900
                3s
                   +0 :               0.00032789035229
                4s
                   +0 :              -0.00015089784148
                3p
                   -1 :               0.00007535788018
                   +0 :              -0.00015905283659
                   +1 :               0.00004530149964
                4p
                   -1 :              -0.00000838426538
                   +0 :               0.00000764206113
                   +1 :              -0.00002821496835
                3d
                   -2 :              -0.00000071729705
                   -1 :               0.00003667423201
                   +0 :              -0.00000816169530
                   +1 :               0.00002862102151
                   +2 :              -0.00007519004106
              6 vec=     7.780163      7.244802     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00007976040588
                2p
                   -1 :               0.00004938233322
                   +0 :              -0.00002555020888
                   +1 :               0.00019657210386
                3s
                   +0 :              -0.00013599992624
                4s
                   +0 :               0.00009090886872
                3p
                   -1 :              -0.00028970547911
                   +0 :               0.00007238801932
                   +1 :              -0.00153171734016
                4p
                   -1 :               0.00008807210830
                   +0 :               0.00003630459741
                   +1 :               0.00023042051582
                3d
                   -2 :              -0.00035924173258
                   -1 :               0.00007903907142
                   +0 :              -0.00005945964208
                   +1 :               0.00028509831164
                   +2 :               0.00020189275528
              7 vec=     0.000000      2.752923     14.784576   |vec|=   15.038692
                2s
                   +0 :               0.00002728029046
                2p
                   -1 :               0.00004153194894
                   +0 :               0.00001677014452
                   +1 :              -0.00011539161053
                3s
                   +0 :               0.00018906656260
                4s
                   +0 :              -0.00006681225077
                3p
                   -1 :              -0.00029435799253
                   +0 :               0.00014514167028
                   +1 :               0.00059855556885
                4p
                   -1 :               0.00003212431173
                   +0 :              -0.00006243974190
                   +1 :              -0.00016160906945
                3d
                   -2 :              -0.00003603433678
                   -1 :              -0.00007960300026
                   +0 :               0.00004433040872
                   +1 :               0.00005220592264
                   +2 :              -0.00001493594927
              8 vec=     0.000000     11.736681     -9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00002993059289
                2p
                   -1 :              -0.00002443015652
                   +0 :               0.00010375089290
                   +1 :              -0.00001771255607
                3s
                   +0 :               0.00002382100725
                4s
                   +0 :              -0.00022030793830
                3p
                   -1 :               0.00012316800704
                   +0 :              -0.00045980893636
                   +1 :               0.00015714025278
                4p
                   -1 :              -0.00015468869988
                   +0 :               0.00021346595935
                   +1 :              -0.00004615790138
                3d
                   -2 :              -0.00001425827807
                   -1 :              -0.00011346401519
                   +0 :               0.00001929063792
                   +1 :              -0.00003391615396
                   +2 :               0.00005122948053
              9 vec=     0.000000     -6.230835     14.784576   |vec|=   16.043908
                2s
                   +0 :              -0.00004068932440
                2p
                   -1 :               0.00000154843769
                   +0 :              -0.00000617683965
                   +1 :              -0.00001833198635
                3s
                   +0 :               0.00015322419291
                4s
                   +0 :              -0.00000162227794
                3p
                   -1 :               0.00016085523197
                   +0 :              -0.00005963268018
                   +1 :               0.00003177206189
                4p
                   -1 :              -0.00004068946528
                   +0 :               0.00005306383820
                   +1 :               0.00000764038591
                3d
                   -2 :               0.00002864814791
                   -1 :               0.00003753934444
                   +0 :               0.00001004336721
                   +1 :               0.00001581005457
                   +2 :              -0.00000812231473
             10 vec=    -7.780163    -10.722714     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00003409877296
                2p
                   -1 :              -0.00000877367360
                   +0 :               0.00000795888932
                   +1 :              -0.00001711149353
                3s
                   +0 :              -0.00015186838338
                4s
                   +0 :               0.00007854247342
                3p
                   -1 :               0.00003210810919
                   +0 :              -0.00008936094634
                   +1 :               0.00004510011595
                4p
                   -1 :              -0.00001481308075
                   +0 :               0.00001981879314
                   +1 :              -0.00003071431515
                3d
                   -2 :              -0.00001237861708
                   -1 :               0.00001441444655
                   +0 :               0.00001039356959
                   +1 :              -0.00000354120810
                   +2 :              -0.00000743651179
             11 vec=     7.780163    -10.722714     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00012956421482
                2p
                   -1 :              -0.00007712803729
                   +0 :              -0.00002924430177
                   +1 :               0.00004615253993
                3s
                   +0 :              -0.00054182410064
                4s
                   +0 :               0.00015053084356
                3p
                   -1 :               0.00041509993195
                   +0 :               0.00010435754225
                   +1 :              -0.00020623781258
                4p
                   -1 :              -0.00009322719363
                   +0 :              -0.00000720969140
                   +1 :               0.00005722828747
                3d
                   -2 :               0.00007175198839
                   -1 :              -0.00004183686098
                   +0 :               0.00000932601748
                   +1 :               0.00001341573840
                   +2 :               0.00000106302609
             12 vec=    -7.780163     -1.738956     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00010878837066
                2p
                   -1 :               0.00003358405950
                   +0 :              -0.00001988734522
                   +1 :              -0.00000203334213
                3s
                   +0 :               0.00057072456807
                4s
                   +0 :              -0.00014957205682
                3p
                   -1 :              -0.00003591586449
                   +0 :               0.00014922812749
                   +1 :              -0.00017986620767
                4p
                   -1 :               0.00003247331710
                   +0 :              -0.00002746552506
                   +1 :               0.00002725016564
                3d
                   -2 :              -0.00007587934387
                   -1 :               0.00002057174854
                   +0 :              -0.00005606801813
                   +1 :              -0.00003531299723
                   +2 :               0.00007544441467
             13 vec=     7.780163     -1.738956     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00003085644883
                2p
                   -1 :               0.00001059194117
                   +0 :               0.00000567875521
                   +1 :               0.00000552584545
                3s
                   +0 :               0.00034770196454
                4s
                   +0 :              -0.00006966012980
                3p
                   -1 :               0.00004478696673
                   +0 :               0.00004522907355
                   +1 :               0.00008690725398
                4p
                   -1 :              -0.00001279178540
                   +0 :              -0.00001712836658
                   +1 :               0.00000384460811
                3d
                   -2 :               0.00007108245431
                   -1 :               0.00003814143501
                   +0 :              -0.00006444436897
                   +1 :              -0.00001061337187
                   +2 :              -0.00003905613170
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al( 10)  npairs=  14
              1 vec=     0.000000      2.752923     -2.510641   |vec|=    3.725842
                2s
                   +0 :              -0.02033729495541
                2p
                   -1 :              -0.02593466869018
                   +0 :               0.01885665347989
                   +1 :               0.00268753658116
                3s
                   +0 :              -0.07754057062088
                4s
                   +0 :              -0.00612531850817
                3p
                   -1 :              -0.05112527539646
                   +0 :               0.02987886602605
                   +1 :              -0.00781981227437
                4p
                   -1 :              -0.01354201830697
                   +0 :               0.00964362876028
                   +1 :               0.00317320350914
                3d
                   -2 :               0.00131495295192
                   -1 :               0.03858566110351
                   +0 :               0.00862136186447
                   +1 :              -0.00060627804102
                   +2 :               0.03802744992243
              2 vec=     0.000000     -6.230835     -2.510641   |vec|=    6.717635
                2s
                   +0 :               0.00227440191350
                2p
                   -1 :              -0.00185117864023
                   +0 :              -0.00056363081868
                   +1 :               0.00048316906892
                3s
                   +0 :              -0.00937328161237
                4s
                   +0 :               0.00534796542993
                3p
                   -1 :               0.00719129702402
                   +0 :               0.00013968244990
                   +1 :              -0.00205271348738
                4p
                   -1 :              -0.00318860991194
                   +0 :              -0.00166922326343
                   +1 :               0.00077499454305
                3d
                   -2 :              -0.00049608490360
                   -1 :              -0.00028791166910
                   +0 :              -0.00282724647341
                   +1 :               0.00004453220161
                   +2 :               0.00104211208809
              3 vec=    -7.780163     -1.738956     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00060857093391
                2p
                   -1 :               0.00027185202796
                   +0 :               0.00037079630819
                   +1 :               0.00038707382474
                3s
                   +0 :               0.00627532543636
                4s
                   +0 :              -0.00288080490426
                3p
                   -1 :              -0.00232824907345
                   +0 :              -0.00431832421382
                   +1 :              -0.00510913338301
                4p
                   -1 :               0.00024650884298
                   +0 :               0.00110189737507
                   +1 :               0.00194967113896
                3d
                   -2 :               0.00055099640084
                   -1 :               0.00019926915291
                   +0 :               0.00041427906932
                   +1 :               0.00119961418622
                   +2 :               0.00082753514516
              4 vec=     7.780163     -1.738956     -2.510641   |vec|=    8.358123
                2s
                   +0 :              -0.00095436850863
                2p
                   -1 :               0.00030091865920
                   +0 :               0.00015160557154
                   +1 :              -0.00017880888493
                3s
                   +0 :               0.00330535299439
                4s
                   +0 :              -0.00203775695127
                3p
                   -1 :              -0.00069772695414
                   +0 :              -0.00114698632953
                   +1 :               0.00238809020523
                4p
                   -1 :               0.00015673705282
                   +0 :               0.00043436151604
                   +1 :              -0.00060018999530
                3d
                   -2 :              -0.00079065170072
                   -1 :               0.00047308564225
                   +0 :               0.00026416253718
                   +1 :               0.00001537945463
                   +2 :              -0.00023199204626
              5 vec=    -7.780163      7.244802     -2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00005658623110
                2p
                   -1 :               0.00016042915072
                   +0 :               0.00005922560204
                   +1 :              -0.00008025018010
                3s
                   +0 :              -0.00125757013680
                4s
                   +0 :               0.00052332253184
                3p
                   -1 :              -0.00102843987886
                   +0 :              -0.00006654407960
                   +1 :               0.00151600052320
                4p
                   -1 :               0.00027531856642
                   +0 :              -0.00008331638021
                   +1 :              -0.00043137180071
                3d
                   -2 :               0.00016389285697
                   -1 :               0.00005018745319
                   +0 :               0.00016446960312
                   +1 :               0.00003426912025
                   +2 :              -0.00033118765359
              6 vec=     7.780163      7.244802     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00023540712870
                2p
                   -1 :              -0.00018239555422
                   +0 :              -0.00031976454814
                   +1 :              -0.00020902328150
                3s
                   +0 :              -0.00101013136574
                4s
                   +0 :               0.00022374609631
                3p
                   -1 :               0.00043094637346
                   +0 :               0.00163010383989
                   +1 :              -0.00035385184840
                4p
                   -1 :              -0.00001521425524
                   +0 :              -0.00038186379087
                   +1 :              -0.00009046265132
                3d
                   -2 :               0.00011345193336
                   -1 :               0.00034600741779
                   +0 :               0.00001896140702
                   +1 :               0.00011896824275
                   +2 :              -0.00034740092954
              7 vec=     0.000000     11.736681     -2.510641   |vec|=   12.002208
                2s
                   +0 :               0.00010565151835
                2p
                   -1 :              -0.00007522696715
                   +0 :              -0.00005464778299
                   +1 :               0.00014591827260
                3s
                   +0 :              -0.00006283397078
                4s
                   +0 :              -0.00042391612117
                3p
                   -1 :               0.00072499740435
                   +0 :               0.00019954150442
                   +1 :              -0.00071332634207
                4p
                   -1 :              -0.00051985235443
                   +0 :              -0.00006131573940
                   +1 :               0.00017708324822
                3d
                   -2 :              -0.00044627399607
                   -1 :               0.00008577403663
                   +0 :              -0.00005769818150
                   +1 :               0.00010253659911
                   +2 :               0.00010702200120
              8 vec=    -7.780163    -10.722714     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00016481512874
                2p
                   -1 :              -0.00002264509091
                   +0 :               0.00007717940114
                   +1 :              -0.00000787019850
                3s
                   +0 :               0.00062843521154
                4s
                   +0 :              -0.00016047836351
                3p
                   -1 :               0.00017094209970
                   +0 :              -0.00041280733872
                   +1 :              -0.00006348802151
                4p
                   -1 :              -0.00005178555062
                   +0 :               0.00002676742067
                   +1 :               0.00003954254017
                3d
                   -2 :              -0.00013734190797
                   -1 :               0.00005484276149
                   +0 :               0.00006331797647
                   +1 :               0.00020766900856
                   +2 :               0.00021841924486
              9 vec=     7.780163    -10.722714     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00016064764087
                2p
                   -1 :               0.00004385362910
                   +0 :              -0.00006377596965
                   +1 :               0.00000861776820
                3s
                   +0 :               0.00038819773427
                4s
                   +0 :               0.00002609975598
                3p
                   -1 :              -0.00005653139710
                   +0 :               0.00019402243140
                   +1 :              -0.00015563253993
                4p
                   -1 :              -0.00007409599987
                   +0 :              -0.00000837486674
                   +1 :               0.00010615496322
                3d
                   -2 :               0.00005615781479
                   -1 :              -0.00005441020557
                   +0 :               0.00000331833377
                   +1 :              -0.00002751794575
                   +2 :               0.00002598577165
             10 vec=     0.000000    -15.214593     -2.510641   |vec|=   15.420349
                2s
                   +0 :               0.00000244877354
                2p
                   -1 :              -0.00003741271531
                   +0 :               0.00002807947992
                   +1 :               0.00002646229616
                3s
                   +0 :              -0.00000712482246
                4s
                   +0 :               0.00001315271993
                3p
                   -1 :               0.00016543590662
                   +0 :              -0.00016230174436
                   +1 :              -0.00014173774020
                4p
                   -1 :              -0.00005596088012
                   +0 :               0.00003046155307
                   +1 :               0.00005368541256
                3d
                   -2 :               0.00001294392721
                   -1 :               0.00005019262813
                   +0 :               0.00000587007660
                   +1 :              -0.00001018480541
                   +2 :               0.00005721718035
             11 vec=   -15.560325      2.752923     -2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00002937736772
                2p
                   -1 :              -0.00001423407560
                   +0 :              -0.00002017595283
                   +1 :               0.00001336343527
                3s
                   +0 :              -0.00003270484157
                4s
                   +0 :              -0.00000223467686
                3p
                   -1 :               0.00002135699843
                   +0 :              -0.00000035018426
                   +1 :               0.00001640862171
                4p
                   -1 :              -0.00001751800128
                   +0 :              -0.00001408966982
                   +1 :              -0.00001150527257
                3d
                   -2 :               0.00002232412239
                   -1 :               0.00001252436587
                   +0 :              -0.00001992432798
                   +1 :               0.00001961304607
                   +2 :               0.00002183643759
             12 vec=    15.560325      2.752923     -2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00006480398207
                2p
                   -1 :               0.00005902072736
                   +0 :               0.00004146700656
                   +1 :               0.00001907592352
                3s
                   +0 :              -0.00037564993032
                4s
                   +0 :               0.00010133138954
                3p
                   -1 :              -0.00039446588128
                   +0 :              -0.00018687963399
                   +1 :              -0.00015405029969
                4p
                   -1 :               0.00009437206186
                   +0 :               0.00000884114896
                   +1 :               0.00004433462390
                3d
                   -2 :              -0.00005308514129
                   -1 :              -0.00003001189020
                   +0 :               0.00001122422127
                   +1 :              -0.00004721954877
                   +2 :               0.00000237735761
             13 vec=   -15.560325     -6.230835     -2.510641   |vec|=   16.948461
                2s
                   +0 :              -0.00002681221890
                2p
                   -1 :               0.00001053129457
                   +0 :              -0.00000045128834
                   +1 :               0.00000666658341
                3s
                   +0 :               0.00012857697353
                4s
                   +0 :              -0.00003910235333
                3p
                   -1 :              -0.00002361257863
                   +0 :              -0.00002753068811
                   +1 :              -0.00004130112609
                4p
                   -1 :               0.00002096555709
                   +0 :               0.00000844483421
                   +1 :              -0.00000403092880
                3d
                   -2 :              -0.00001271036181
                   -1 :               0.00000946044703
                   +0 :               0.00000232392435
                   +1 :              -0.00001254744603
                   +2 :              -0.00003954131789
             14 vec=    15.560325     -6.230835     -2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00003057483722
                2p
                   -1 :              -0.00001494272442
                   +0 :              -0.00001028458590
                   +1 :              -0.00000854117020
                3s
                   +0 :              -0.00014599805123
                4s
                   +0 :               0.00002018834142
                3p
                   -1 :               0.00005127998845
                   +0 :               0.00001758854926
                   +1 :               0.00002394613523
                4p
                   -1 :               0.00000016482028
                   +0 :               0.00000962718921
                   +1 :              -0.00001164491525
                3d
                   -2 :               0.00000753188171
                   -1 :              -0.00000314727136
                   +0 :              -0.00001599883401
                   +1 :               0.00001300597717
                   +2 :               0.00001668641024
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al( 11)  npairs=  13
              1 vec=     0.000000      2.752923      9.763130   |vec|=   10.143831
                2s
                   +0 :               0.00048039909314
                2p
                   -1 :               0.00032746580184
                   +0 :              -0.00021699799931
                   +1 :               0.00010393040675
                3s
                   +0 :              -0.00008174157019
                4s
                   +0 :              -0.00001905703440
                3p
                   -1 :              -0.00131742679612
                   +0 :               0.00182325087874
                   +1 :              -0.00056905990301
                4p
                   -1 :               0.00012442563982
                   +0 :              -0.00059316681772
                   +1 :               0.00016482734699
                3d
                   -2 :               0.00021954974996
                   -1 :               0.00060966278305
                   +0 :               0.00013608201588
                   +1 :               0.00010622035372
                   +2 :              -0.00001382404340
              2 vec=     0.000000     -6.230835      9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00075878484124
                2p
                   -1 :               0.00007307795198
                   +0 :              -0.00017310452144
                   +1 :              -0.00010693454766
                3s
                   +0 :               0.00270052396380
                4s
                   +0 :              -0.00113755933577
                3p
                   -1 :              -0.00042632572939
                   +0 :               0.00140594910059
                   +1 :               0.00061527524849
                4p
                   -1 :               0.00012577108295
                   +0 :              -0.00048440543159
                   +1 :              -0.00023620204243
                3d
                   -2 :               0.00004939911162
                   -1 :              -0.00007478455533
                   +0 :               0.00029615306114
                   +1 :               0.00005695430231
                   +2 :               0.00024225754092
              3 vec=    -7.780163     -1.738956      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00002157046233
                2p
                   -1 :               0.00009071503657
                   +0 :               0.00005111129249
                   +1 :              -0.00021446188474
                3s
                   +0 :               0.00164063705829
                4s
                   +0 :               0.00007613873325
                3p
                   -1 :              -0.00104070380985
                   +0 :               0.00027398478862
                   +1 :              -0.00054660641251
                4p
                   -1 :               0.00018127906341
                   +0 :               0.00006378489835
                   +1 :              -0.00032458022371
                3d
                   -2 :               0.00028758639016
                   -1 :               0.00002263754376
                   +0 :              -0.00024519852288
                   +1 :              -0.00017661887312
                   +2 :               0.00021525990561
              4 vec=     7.780163     -1.738956      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00035147561491
                2p
                   -1 :              -0.00016308486993
                   +0 :               0.00013927852502
                   +1 :               0.00034348388941
                3s
                   +0 :               0.00165910813883
                4s
                   +0 :               0.00016224847728
                3p
                   -1 :              -0.00112880674890
                   +0 :               0.00029150654910
                   +1 :               0.00077410482707
                4p
                   -1 :              -0.00001388698249
                   +0 :              -0.00005346672769
                   +1 :               0.00026914717489
                3d
                   -2 :              -0.00065371395969
                   -1 :              -0.00014234844942
                   +0 :              -0.00036681750017
                   +1 :               0.00012056603195
                   +2 :               0.00016946806668
              5 vec=    -7.780163      7.244802      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00013806034032
                2p
                   -1 :              -0.00006903898406
                   +0 :              -0.00001806805116
                   +1 :               0.00012797523265
                3s
                   +0 :               0.00057310135608
                4s
                   +0 :              -0.00020577436619
                3p
                   -1 :               0.00036361719631
                   +0 :               0.00006526342108
                   +1 :              -0.00060888582759
                4p
                   -1 :              -0.00013681169868
                   +0 :              -0.00000126107408
                   +1 :               0.00017871732057
                3d
                   -2 :               0.00002541508744
                   -1 :              -0.00000022025376
                   +0 :              -0.00004664768000
                   +1 :              -0.00010401439268
                   +2 :               0.00004778688637
              6 vec=     7.780163      7.244802      9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00001379102507
                2p
                   -1 :               0.00017628338286
                   +0 :              -0.00001866690454
                   +1 :              -0.00006446720805
                3s
                   +0 :              -0.00013881279676
                4s
                   +0 :               0.00007270795927
                3p
                   -1 :              -0.00085878959740
                   +0 :               0.00006715754030
                   +1 :               0.00024156711805
                4p
                   -1 :               0.00017863600745
                   +0 :              -0.00001726361068
                   +1 :              -0.00000050429589
                3d
                   -2 :              -0.00010022159979
                   -1 :              -0.00011115886389
                   +0 :              -0.00000857353589
                   +1 :               0.00007416750696
                   +2 :               0.00014728698913
              7 vec=     0.000000      2.752923    -14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00002152320397
                2p
                   -1 :              -0.00007159141086
                   +0 :               0.00001626959049
                   +1 :              -0.00007358702443
                3s
                   +0 :              -0.00051734368409
                4s
                   +0 :               0.00011678542131
                3p
                   -1 :               0.00051573685789
                   +0 :               0.00014604439930
                   +1 :               0.00037213404363
                4p
                   -1 :              -0.00006988797493
                   +0 :              -0.00005590568693
                   +1 :              -0.00010576874928
                3d
                   -2 :              -0.00001424107140
                   -1 :              -0.00010460448401
                   +0 :              -0.00001581859688
                   +1 :              -0.00001154353772
                   +2 :               0.00002723003716
              8 vec=     0.000000     11.736681      9.763130   |vec|=   15.266578
                2s
                   +0 :               0.00018677486388
                2p
                   -1 :               0.00013097384460
                   +0 :               0.00016597636277
                   +1 :               0.00001728238363
                3s
                   +0 :              -0.00051586934814
                4s
                   +0 :               0.00022124166932
                3p
                   -1 :              -0.00057340864362
                   +0 :              -0.00071938106625
                   +1 :              -0.00018296205881
                4p
                   -1 :               0.00017285574098
                   +0 :               0.00022012028585
                   +1 :               0.00009850343850
                3d
                   -2 :               0.00001140284831
                   -1 :              -0.00025032444903
                   +0 :              -0.00003697646869
                   +1 :               0.00001305730604
                   +2 :               0.00009335366978
              9 vec=     0.000000     -6.230835    -14.784412   |vec|=   16.043757
                2s
                   +0 :               0.00009719054059
                2p
                   -1 :              -0.00001840143781
                   +0 :              -0.00002470446631
                   +1 :              -0.00002213132496
                3s
                   +0 :              -0.00038496695040
                4s
                   +0 :               0.00005870072659
                3p
                   -1 :               0.00006425389930
                   +0 :               0.00002972334900
                   +1 :               0.00011479073347
                4p
                   -1 :               0.00001771132244
                   +0 :               0.00003415941139
                   +1 :              -0.00000038876887
                3d
                   -2 :               0.00005356191816
                   -1 :              -0.00002336598433
                   +0 :              -0.00004483581533
                   +1 :              -0.00002217438353
                   +2 :               0.00000424803731
             10 vec=    -7.780163    -10.722714      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00008934849655
                2p
                   -1 :               0.00006128682598
                   +0 :              -0.00000185376005
                   +1 :               0.00002877095474
                3s
                   +0 :               0.00036946615949
                4s
                   +0 :              -0.00013833750004
                3p
                   -1 :              -0.00034228323306
                   +0 :              -0.00001657124033
                   +1 :              -0.00011383399857
                4p
                   -1 :               0.00011400558766
                   +0 :               0.00000721584719
                   +1 :               0.00003379831084
                3d
                   -2 :               0.00000208898405
                   -1 :              -0.00000297527731
                   +0 :              -0.00002583017162
                   +1 :               0.00003715281618
                   +2 :               0.00002073283377
             11 vec=     7.780163    -10.722714      9.763130   |vec|=   16.456799
                2s
                   +0 :              -0.00006411930539
                2p
                   -1 :               0.00004102505698
                   +0 :              -0.00000286583956
                   +1 :              -0.00001600670577
                3s
                   +0 :               0.00022139119079
                4s
                   +0 :              -0.00006528594494
                3p
                   -1 :              -0.00014859440679
                   +0 :               0.00001169490360
                   +1 :               0.00004238398050
                4p
                   -1 :               0.00005654695794
                   +0 :               0.00001292634120
                   +1 :              -0.00000522683743
                3d
                   -2 :              -0.00001651266864
                   -1 :              -0.00001370670674
                   +0 :               0.00001044684934
                   +1 :               0.00004094234809
                   +2 :               0.00001952074546
             12 vec=    -7.780163     -1.738956    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00011298748750
                2p
                   -1 :               0.00002792814711
                   +0 :              -0.00002653770950
                   +1 :              -0.00002281890850
                3s
                   +0 :              -0.00065947263670
                4s
                   +0 :               0.00019688722561
                3p
                   -1 :              -0.00028062296332
                   +0 :               0.00022151588864
                   +1 :               0.00021592529439
                4p
                   -1 :               0.00006291136361
                   +0 :              -0.00006598405891
                   +1 :              -0.00002655339829
                3d
                   -2 :               0.00008517533633
                   -1 :               0.00007828401696
                   +0 :               0.00003212593887
                   +1 :              -0.00001791313480
                   +2 :               0.00003549705110
             13 vec=     7.780163     -1.738956    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00010756364822
                2p
                   -1 :              -0.00001929372950
                   +0 :              -0.00001447442214
                   +1 :              -0.00000365635863
                3s
                   +0 :              -0.00074021124119
                4s
                   +0 :               0.00015765281762
                3p
                   -1 :              -0.00010192492034
                   +0 :               0.00017992155856
                   +1 :              -0.00024252372534
                4p
                   -1 :              -0.00002049445677
                   +0 :              -0.00002707364847
                   +1 :               0.00002372027340
                3d
                   -2 :              -0.00010414012075
                   -1 :               0.00003310960130
                   +0 :               0.00004949366763
                   +1 :               0.00003012474025
                   +2 :              -0.00007334417932
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site Al( 12)  npairs=  14
              1 vec=     0.000000      2.752923      2.510804   |vec|=    3.725953
                2s
                   +0 :               0.02026204477536
                2p
                   -1 :               0.02580734600007
                   +0 :               0.01875216476439
                   +1 :               0.00261597910700
                3s
                   +0 :               0.08103506657158
                4s
                   +0 :               0.00603117643559
                3p
                   -1 :               0.05424772135856
                   +0 :               0.02987179156465
                   +1 :              -0.00664044415980
                4p
                   -1 :               0.01330041480246
                   +0 :               0.00960556717444
                   +1 :               0.00306045320918
                3d
                   -2 :               0.00173164798187
                   -1 :               0.03857777882799
                   +0 :              -0.00922469879606
                   +1 :               0.00075450987378
                   +2 :              -0.03851017805515
              2 vec=     0.000000     -6.230835      2.510804   |vec|=    6.717696
                2s
                   +0 :              -0.00215841448538
                2p
                   -1 :               0.00176629677793
                   +0 :              -0.00052577109161
                   +1 :               0.00058883636057
                3s
                   +0 :               0.00888784057968
                4s
                   +0 :              -0.00538854346427
                3p
                   -1 :              -0.00686326071234
                   +0 :              -0.00000739255539
                   +1 :              -0.00298264541151
                4p
                   -1 :               0.00318723454729
                   +0 :              -0.00157014511943
                   +1 :               0.00101632889707
                3d
                   -2 :              -0.00021150253391
                   -1 :              -0.00038906294375
                   +0 :               0.00288053577555
                   +1 :               0.00009678682259
                   +2 :              -0.00089998467142
              3 vec=    -7.780163     -1.738956      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00112560621725
                2p
                   -1 :              -0.00033671347923
                   +0 :               0.00016466394538
                   +1 :              -0.00017258564804
                3s
                   +0 :              -0.00431217938247
                4s
                   +0 :               0.00213042060104
                3p
                   -1 :               0.00105203544888
                   +0 :              -0.00111633240281
                   +1 :               0.00233748278558
                4p
                   -1 :              -0.00018558641172
                   +0 :               0.00044157653872
                   +1 :              -0.00059130538267
                3d
                   -2 :              -0.00076039327225
                   -1 :               0.00053879232459
                   +0 :              -0.00010165457373
                   +1 :              -0.00005750945299
                   +2 :               0.00030340201047
              4 vec=     7.780163     -1.738956      2.510804   |vec|=    8.358172
                2s
                   +0 :               0.00064052808016
                2p
                   -1 :              -0.00007018256601
                   +0 :               0.00037716597498
                   +1 :               0.00035439037606
                3s
                   +0 :              -0.00592349299466
                4s
                   +0 :               0.00279234154233
                3p
                   -1 :               0.00125418544556
                   +0 :              -0.00432678010889
                   +1 :              -0.00438455914605
                4p
                   -1 :               0.00001727783845
                   +0 :               0.00118654959377
                   +1 :               0.00178624766057
                3d
                   -2 :               0.00035456695141
                   -1 :               0.00022443797235
                   +0 :              -0.00029374363577
                   +1 :              -0.00130649648001
                   +2 :              -0.00068909301912
              5 vec=    -7.780163      7.244802      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00034798222645
                2p
                   -1 :               0.00021543063796
                   +0 :              -0.00035503564842
                   +1 :              -0.00024653668692
                3s
                   +0 :               0.00064424923488
                4s
                   +0 :              -0.00014790557395
                3p
                   -1 :              -0.00047301760342
                   +0 :               0.00154082923220
                   +1 :              -0.00014228294431
                4p
                   -1 :               0.00005210048060
                   +0 :              -0.00043695695629
                   +1 :              -0.00013267536622
                3d
                   -2 :               0.00006959428323
                   -1 :               0.00030618795291
                   +0 :               0.00002822035763
                   +1 :              -0.00000454999732
                   +2 :               0.00036084403107
              6 vec=     7.780163      7.244802      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00008277181573
                2p
                   -1 :              -0.00007900202827
                   +0 :               0.00006368907643
                   +1 :              -0.00003906798377
                3s
                   +0 :               0.00046085382223
                4s
                   +0 :              -0.00037420317199
                3p
                   -1 :               0.00053369037332
                   +0 :              -0.00015970375421
                   +1 :               0.00116144634267
                4p
                   -1 :              -0.00019006388843
                   +0 :              -0.00004409116009
                   +1 :              -0.00040309139289
                3d
                   -2 :               0.00009169818242
                   -1 :               0.00008432103845
                   +0 :              -0.00009465305106
                   +1 :              -0.00004531146739
                   +2 :               0.00029268415317
              7 vec=     0.000000     11.736681      2.510804   |vec|=   12.002242
                2s
                   +0 :              -0.00015717505358
                2p
                   -1 :               0.00007224862250
                   +0 :              -0.00008529975850
                   +1 :               0.00019826159987
                3s
                   +0 :               0.00016903340180
                4s
                   +0 :               0.00038506038213
                3p
                   -1 :              -0.00073443853306
                   +0 :               0.00042909035058
                   +1 :              -0.00101504482994
                4p
                   -1 :               0.00051320600004
                   +0 :              -0.00011820882681
                   +1 :               0.00022813771856
                3d
                   -2 :              -0.00044681731552
                   -1 :               0.00012163176100
                   +0 :              -0.00000103935045
                   +1 :              -0.00009720388337
                   +2 :              -0.00003174905528
              8 vec=    -7.780163    -10.722714      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00015164303796
                2p
                   -1 :              -0.00004267427922
                   +0 :              -0.00008502700513
                   +1 :              -0.00000628061758
                3s
                   +0 :              -0.00034417314397
                4s
                   +0 :              -0.00002516951570
                3p
                   -1 :               0.00005488468615
                   +0 :               0.00032015083950
                   +1 :              -0.00004527896820
                4p
                   -1 :               0.00006121724888
                   +0 :              -0.00005595279263
                   +1 :               0.00007818109560
                3d
                   -2 :               0.00000587759072
                   -1 :              -0.00007632627498
                   +0 :              -0.00000250828300
                   +1 :               0.00000412779410
                   +2 :              -0.00003188493399
              9 vec=     7.780163    -10.722714      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00016576313348
                2p
                   -1 :               0.00000978073540
                   +0 :               0.00007841073764
                   +1 :               0.00000690220321
                3s
                   +0 :              -0.00072818263807
                4s
                   +0 :               0.00018005124105
                3p
                   -1 :              -0.00002694451296
                   +0 :              -0.00042355830689
                   +1 :              -0.00015401905174
                4p
                   -1 :               0.00001662990399
                   +0 :               0.00003846334176
                   +1 :               0.00005642486393
                3d
                   -2 :              -0.00013355833123
                   -1 :               0.00004152750853
                   +0 :              -0.00005949582804
                   +1 :              -0.00020314079352
                   +2 :              -0.00023508025935
             10 vec=     0.000000    -15.214593      2.510804   |vec|=   15.420376
                2s
                   +0 :              -0.00002794408232
                2p
                   -1 :               0.00005092419425
                   +0 :               0.00002138473219
                   +1 :               0.00001686321864
                3s
                   +0 :               0.00006844629822
                4s
                   +0 :              -0.00003042996972
                3p
                   -1 :              -0.00022819627144
                   +0 :              -0.00011703711262
                   +1 :              -0.00006905088768
                4p
                   -1 :               0.00006300552507
                   +0 :               0.00001504538130
                   +1 :               0.00003082162193
                3d
                   -2 :              -0.00000889074123
                   -1 :               0.00004764596952
                   +0 :              -0.00000993008962
                   +1 :              -0.00000410330245
                   +2 :              -0.00006687564781
             11 vec=   -15.560325      2.752923      2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00004673947246
                2p
                   -1 :              -0.00006886775569
                   +0 :               0.00004108890995
                   +1 :               0.00001111005770
                3s
                   +0 :               0.00033752780760
                4s
                   +0 :              -0.00009956211578
                3p
                   -1 :               0.00047917263448
                   +0 :              -0.00026693573321
                   +1 :              -0.00011935229375
                4p
                   -1 :              -0.00011004193099
                   +0 :               0.00002948600729
                   +1 :               0.00003399080891
                3d
                   -2 :              -0.00006838759382
                   -1 :              -0.00004834152103
                   +0 :               0.00001034616467
                   +1 :               0.00005198594207
                   +2 :              -0.00000799909766
             12 vec=    15.560325      2.752923      2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00003603029553
                2p
                   -1 :               0.00003003026901
                   +0 :              -0.00001922855028
                   +1 :               0.00001817364281
                3s
                   +0 :               0.00008870582905
                4s
                   +0 :               0.00000028162010
                3p
                   -1 :              -0.00004592106604
                   +0 :              -0.00002557516754
                   +1 :               0.00004930570197
                4p
                   -1 :               0.00003273854655
                   +0 :              -0.00000786959793
                   +1 :              -0.00001219127930
                3d
                   -2 :               0.00002710859633
                   -1 :              -0.00000137975337
                   +0 :               0.00001866856915
                   +1 :              -0.00003642111703
                   +2 :              -0.00000992537750
             13 vec=   -15.560325     -6.230835      2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00000936187800
                2p
                   -1 :               0.00000735404414
                   +0 :              -0.00001065497714
                   +1 :              -0.00001141246079
                3s
                   +0 :               0.00004452134613
                4s
                   +0 :               0.00000650462594
                3p
                   -1 :              -0.00001551512184
                   +0 :              -0.00000704214593
                   +1 :               0.00006372331118
                4p
                   -1 :              -0.00000701351750
                   +0 :               0.00001639693581
                   +1 :              -0.00001674231909
                3d
                   -2 :               0.00000812428653
                   -1 :              -0.00000178506131
                   +0 :               0.00000959770988
                   +1 :              -0.00000079592935
                   +2 :              -0.00002754304189
             14 vec=    15.560325     -6.230835      2.510804   |vec|=   16.948486
                2s
                   +0 :               0.00000848851070
                2p
                   -1 :              -0.00002462795633
                   +0 :               0.00000514371354
                   +1 :               0.00000086349584
                3s
                   +0 :              -0.00006005720138
                4s
                   +0 :               0.00001837764644
                3p
                   -1 :               0.00013445963572
                   +0 :              -0.00005019998998
                   +1 :               0.00000574784066
                4p
                   -1 :              -0.00004319074390
                   +0 :               0.00000470115332
                   +1 :              -0.00001464787629
                3d
                   -2 :               0.00001709778321
                   -1 :               0.00000661702953
                   +0 :              -0.00001534333427
                   +1 :               0.00001420780404
                   +2 :               0.00003182412996
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 13)  npairs=  14
              1 vec=    -0.209546     -3.115268     -4.091257   |vec|=    5.146570
                1s
                   +0 :               0.00229347022748
                2s
                   +0 :              -0.05256942245259
                3s
                   +0 :               0.00336944980070
                2p
                   -1 :               0.02442546862858
                   +0 :               0.02622021449024
                   +1 :               0.00615211651687
                3p
                   -1 :              -0.00095666637924
                   +0 :              -0.00086608877637
                   +1 :              -0.00386053044411
                3d
                   -2 :              -0.00044230530127
                   -1 :              -0.00274338216739
                   +0 :              -0.00084781268278
                   +1 :              -0.00080423208665
                   +2 :               0.00118308471866
              2 vec=    -0.209546      5.868490     -4.091257   |vec|=    7.156918
                1s
                   +0 :               0.00222693022396
                2s
                   +0 :              -0.01578475392246
                3s
                   +0 :               0.00741603447339
                2p
                   -1 :              -0.01529064366987
                   +0 :               0.00631641596576
                   +1 :               0.00191977731151
                3p
                   -1 :               0.01091421700680
                   +0 :              -0.00497471990200
                   +1 :              -0.00092956701918
                3d
                   -2 :              -0.00009670326412
                   -1 :              -0.00057683300222
                   +0 :              -0.00038829985652
                   +1 :               0.00000380499502
                   +2 :              -0.00080017848536
              3 vec=     7.570617      1.376611     -4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00014949641529
                2s
                   +0 :              -0.00125300099620
                3s
                   +0 :              -0.00007259445128
                2p
                   -1 :               0.00131239005130
                   +0 :              -0.00217527640276
                   +1 :              -0.00357017197682
                3p
                   -1 :              -0.00064633313658
                   +0 :               0.00035938883687
                   +1 :               0.00158063375472
                3d
                   -2 :               0.00000885558488
                   -1 :              -0.00000090330177
                   +0 :               0.00001667446834
                   +1 :              -0.00017075751758
                   +2 :              -0.00001002382150
              4 vec=    -7.989708      1.376611     -4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00009430746504
                2s
                   +0 :              -0.00067375004607
                3s
                   +0 :              -0.00000360003980
                2p
                   -1 :               0.00146894247448
                   +0 :              -0.00222800513267
                   +1 :               0.00186762185747
                3p
                   -1 :              -0.00088730590015
                   +0 :               0.00069221386363
                   +1 :               0.00063646292927
                3d
                   -2 :               0.00007636717021
                   -1 :              -0.00002213787123
                   +0 :               0.00012434908073
                   +1 :               0.00006180637984
                   +2 :              -0.00017356256881
              5 vec=     7.570617     -7.607147     -4.091257   |vec|=   11.485700
                1s
                   +0 :               0.00007486075560
                2s
                   +0 :              -0.00079091825704
                3s
                   +0 :               0.00028636825314
                2p
                   -1 :               0.00075849403800
                   +0 :              -0.00033539916199
                   +1 :               0.00000606781461
                3p
                   -1 :              -0.00064000592254
                   +0 :               0.00023061617159
                   +1 :              -0.00013435059411
                3d
                   -2 :              -0.00005134522360
                   -1 :               0.00003772679689
                   +0 :              -0.00003165355622
                   +1 :               0.00002524128560
                   +2 :              -0.00003721709844
              6 vec=    -7.989708     -7.607147     -4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00010817424635
                2s
                   +0 :              -0.00066992096727
                3s
                   +0 :               0.00034262169398
                2p
                   -1 :               0.00007674224708
                   +0 :              -0.00037711041535
                   +1 :               0.00098632758300
                3p
                   -1 :              -0.00013153254824
                   +0 :               0.00020867250091
                   +1 :              -0.00088262375336
                3d
                   -2 :               0.00008117674432
                   -1 :              -0.00000443511577
                   +0 :              -0.00004269716819
                   +1 :               0.00001425972011
                   +2 :              -0.00000020985134
              7 vec=    -0.209546    -12.099026     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00000803764522
                2s
                   +0 :              -0.00019397606918
                3s
                   +0 :               0.00001907527293
                2p
                   -1 :              -0.00008596942093
                   +0 :               0.00020778284191
                   +1 :              -0.00007213474256
                3p
                   -1 :               0.00016033679857
                   +0 :              -0.00007267542650
                   +1 :               0.00004454761447
                3d
                   -2 :              -0.00002880488218
                   -1 :               0.00001809412339
                   +0 :               0.00000078704477
                   +1 :              -0.00001119544042
                   +2 :              -0.00002444051284
              8 vec=     7.570617     10.360369     -4.091257   |vec|=   13.468106
                1s
                   +0 :               0.00002872978234
                2s
                   +0 :              -0.00040940869910
                3s
                   +0 :              -0.00003117515681
                2p
                   -1 :              -0.00006131054543
                   +0 :               0.00019943086891
                   +1 :              -0.00014023872819
                3p
                   -1 :              -0.00016981059225
                   +0 :              -0.00008020425699
                   +1 :              -0.00006494642212
                3d
                   -2 :              -0.00004101867017
                   -1 :              -0.00000828379381
                   +0 :               0.00002212942946
                   +1 :              -0.00000239587387
                   +2 :               0.00001905467229
              9 vec=    -7.989708     10.360369     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00001064220684
                2s
                   +0 :              -0.00002456859618
                3s
                   +0 :              -0.00005252105858
                2p
                   -1 :               0.00010771606308
                   +0 :              -0.00019547572573
                   +1 :               0.00014774414332
                3p
                   -1 :              -0.00016534531084
                   +0 :               0.00017061868810
                   +1 :              -0.00004381293052
                3d
                   -2 :              -0.00000580212018
                   -1 :               0.00000329038213
                   +0 :               0.00001214215433
                   +1 :               0.00000015329649
                   +2 :              -0.00001272270911
             10 vec=    -0.209546     14.852248     -4.091257   |vec|=   15.406868
                1s
                   +0 :               0.00003912452676
                2s
                   +0 :              -0.00026139071827
                3s
                   +0 :               0.00005558663502
                2p
                   -1 :              -0.00022784676752
                   +0 :               0.00008851793530
                   +1 :               0.00013317473382
                3p
                   -1 :               0.00011584879920
                   +0 :              -0.00009122421404
                   +1 :              -0.00007223851286
                3d
                   -2 :               0.00000829256744
                   -1 :              -0.00000838446468
                   +0 :               0.00000454946458
                   +1 :               0.00000219113376
                   +2 :               0.00000967710864
             11 vec=    15.350780     -3.115268     -4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00000449904786
                2s
                   +0 :              -0.00003602632923
                3s
                   +0 :              -0.00002247658051
                2p
                   -1 :              -0.00004335077437
                   +0 :               0.00000816717924
                   +1 :               0.00002646046889
                3p
                   -1 :               0.00004651171361
                   +0 :              -0.00000363009418
                   +1 :              -0.00006875036791
                3d
                   -2 :               0.00000391028816
                   -1 :              -0.00000611670881
                   +0 :               0.00001224660868
                   +1 :               0.00000221840964
                   +2 :               0.00000489522287
             12 vec=   -15.769871     -3.115268     -4.091257   |vec|=   16.587107
                1s
                   +0 :              -0.00001428062415
                2s
                   +0 :               0.00009160493637
                3s
                   +0 :              -0.00004604342161
                2p
                   -1 :               0.00005471038351
                   +0 :               0.00002232442889
                   +1 :              -0.00014629592742
                3p
                   -1 :              -0.00004034506322
                   +0 :              -0.00005414182796
                   +1 :               0.00011086842128
                3d
                   -2 :               0.00000319977769
                   -1 :               0.00000190000117
                   +0 :               0.00000551230581
                   +1 :               0.00000127018073
                   +2 :              -0.00000562439669
             13 vec=    15.350780      5.868490     -4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00000933120623
                2s
                   +0 :               0.00009210191237
                3s
                   +0 :              -0.00000618105387
                2p
                   -1 :              -0.00000152715576
                   +0 :              -0.00002946781075
                   +1 :               0.00002865577576
                3p
                   -1 :               0.00001646287840
                   +0 :               0.00007988694051
                   +1 :              -0.00000604167478
                3d
                   -2 :               0.00000496365547
                   -1 :               0.00001368167499
                   +0 :               0.00000010499723
                   +1 :              -0.00000072926766
                   +2 :              -0.00000288225106
             14 vec=   -15.769871      5.868490     -4.091257   |vec|=   17.316651
                1s
                   +0 :              -0.00000190232152
                2s
                   +0 :               0.00001381901927
                3s
                   +0 :              -0.00000654248263
                2p
                   -1 :              -0.00005103133936
                   +0 :               0.00001743112502
                   +1 :              -0.00003262970945
                3p
                   -1 :               0.00002018528383
                   +0 :              -0.00003827489867
                   +1 :               0.00001354275776
                3d
                   -2 :              -0.00000002959087
                   -1 :              -0.00000029496390
                   +0 :               0.00000446824675
                   +1 :              -0.00000079647677
                   +2 :              -0.00000042678169
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 14)  npairs=  14
              1 vec=     2.802933      1.376611     -4.091257   |vec|=    5.146832
                1s
                   +0 :               0.00162265379387
                2s
                   +0 :              -0.05298609055839
                3s
                   +0 :               0.00250562032647
                2p
                   -1 :              -0.01679105725289
                   +0 :               0.02802058691381
                   +1 :              -0.02466339159889
                3p
                   -1 :               0.00402015885124
                   +0 :               0.00237714314749
                   +1 :              -0.00253952818405
                3d
                   -2 :              -0.00064756279157
                   -1 :               0.00160591376409
                   +0 :              -0.00132275363363
                   +1 :               0.00199583879338
                   +2 :              -0.00045485690574
              2 vec=    -4.977229     -3.115268     -4.091257   |vec|=    7.156542
                1s
                   +0 :              -0.00023490915620
                2s
                   +0 :               0.00183232949997
                3s
                   +0 :              -0.00103914514678
                2p
                   -1 :              -0.00162889602046
                   +0 :               0.00259910485545
                   +1 :              -0.00038437678250
                3p
                   -1 :               0.00178620486591
                   +0 :              -0.00193445346464
                   +1 :               0.00108125098290
                3d
                   -2 :              -0.00004949195975
                   -1 :               0.00010285328831
                   +0 :               0.00032273556917
                   +1 :               0.00025976284872
                   +2 :               0.00001678278598
              3 vec=    -4.977229      5.868490     -4.091257   |vec|=    8.714951
                1s
                   +0 :              -0.00024152709013
                2s
                   +0 :               0.00240927810486
                3s
                   +0 :              -0.00097014707061
                2p
                   -1 :              -0.00113701133802
                   +0 :              -0.00329443135070
                   +1 :              -0.00290833309972
                3p
                   -1 :               0.00006072126846
                   +0 :               0.00047878906437
                   +1 :               0.00172220804684
                3d
                   -2 :               0.00005603157716
                   -1 :              -0.00019242446269
                   +0 :               0.00004809813369
                   +1 :              -0.00002648756925
                   +2 :               0.00005845064060
              4 vec=     2.802933     -7.607147     -4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00011208114455
                2s
                   +0 :               0.00034956408141
                3s
                   +0 :              -0.00058722244307
                2p
                   -1 :               0.00288389182613
                   +0 :              -0.00097055424591
                   +1 :              -0.00043121930533
                3p
                   -1 :              -0.00180702164310
                   +0 :              -0.00021950922586
                   +1 :              -0.00074062893060
                3d
                   -2 :               0.00012645251965
                   -1 :               0.00016174929792
                   +0 :              -0.00001842590229
                   +1 :              -0.00008200661746
                   +2 :              -0.00008029234334
              5 vec=     2.802933     10.360369     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00022277998020
                2s
                   +0 :               0.00117224781036
                3s
                   +0 :              -0.00080195474136
                2p
                   -1 :               0.00076603412484
                   +0 :               0.00063510883399
                   +1 :               0.00094277957888
                3p
                   -1 :              -0.00083694035663
                   +0 :              -0.00059408339462
                   +1 :              -0.00086322101647
                3d
                   -2 :              -0.00007769610699
                   -1 :              -0.00002121453245
                   +0 :               0.00004033874101
                   +1 :              -0.00001589783645
                   +2 :              -0.00000459177369
              6 vec=    10.583096     -3.115268     -4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00000848600779
                2s
                   +0 :              -0.00023483206774
                3s
                   +0 :              -0.00014266915071
                2p
                   -1 :               0.00009867517852
                   +0 :              -0.00010428636695
                   +1 :              -0.00034746678474
                3p
                   -1 :               0.00007736763389
                   +0 :               0.00006269848727
                   +1 :               0.00007003075286
                3d
                   -2 :               0.00000715532759
                   -1 :              -0.00000028763596
                   +0 :               0.00002477611277
                   +1 :               0.00000106663120
                   +2 :              -0.00000771310689
              7 vec=    10.583096      5.868490     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00002676045315
                2s
                   +0 :               0.00007721299547
                3s
                   +0 :              -0.00013393932019
                2p
                   -1 :              -0.00013617053299
                   +0 :               0.00016007051862
                   +1 :               0.00019415055592
                3p
                   -1 :              -0.00003862910942
                   +0 :               0.00009732747205
                   +1 :              -0.00024617108769
                3d
                   -2 :              -0.00000294373271
                   -1 :               0.00002410123033
                   +0 :               0.00005015502048
                   +1 :              -0.00000535241174
                   +2 :              -0.00000687133748
              8 vec=   -12.757392      1.376611     -4.091257   |vec|=   13.467906
                1s
                   +0 :               0.00003946722834
                2s
                   +0 :              -0.00052523578949
                3s
                   +0 :               0.00008508974028
                2p
                   -1 :              -0.00001556790177
                   +0 :              -0.00003161402812
                   +1 :               0.00057595369985
                3p
                   -1 :               0.00002716485953
                   +0 :               0.00002935115214
                   +1 :              -0.00018111255109
                3d
                   -2 :               0.00002976024310
                   -1 :              -0.00000345889091
                   +0 :               0.00000852450586
                   +1 :              -0.00002150151374
                   +2 :              -0.00000596496861
              9 vec=    -4.977229    -12.099026     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00001685178386
                2s
                   +0 :              -0.00011615170099
                3s
                   +0 :              -0.00010162869419
                2p
                   -1 :               0.00037431274147
                   +0 :               0.00007344531124
                   +1 :               0.00025600377476
                3p
                   -1 :              -0.00014736994504
                   +0 :              -0.00004212177624
                   +1 :              -0.00006053981178
                3d
                   -2 :              -0.00000642770275
                   -1 :               0.00001318573981
                   +0 :               0.00000257948178
                   +1 :              -0.00000413445045
                   +2 :               0.00000821865435
             10 vec=   -12.757392     -7.607147     -4.091257   |vec|=   15.406431
                1s
                   +0 :              -0.00004875045168
                2s
                   +0 :               0.00031577375959
                3s
                   +0 :              -0.00010076426263
                2p
                   -1 :              -0.00004527549632
                   +0 :               0.00001384595329
                   +1 :              -0.00008913984448
                3p
                   -1 :              -0.00000600894535
                   +0 :               0.00004015920147
                   +1 :               0.00003605333259
                3d
                   -2 :               0.00000629398162
                   -1 :              -0.00000707580323
                   +0 :               0.00000065923496
                   +1 :              -0.00001939194811
                   +2 :              -0.00000089078007
             11 vec=    -4.977229     14.852248     -4.091257   |vec|=   16.189517
                1s
                   +0 :              -0.00000461915347
                2s
                   +0 :               0.00003654295730
                3s
                   +0 :              -0.00005997148962
                2p
                   -1 :               0.00011971692494
                   +0 :              -0.00005719116324
                   +1 :              -0.00023048775049
                3p
                   -1 :              -0.00012460479940
                   +0 :               0.00002666433131
                   +1 :               0.00023819980559
                3d
                   -2 :               0.00002863787310
                   -1 :               0.00000742846339
                   +0 :               0.00000544438921
                   +1 :               0.00000300722024
                   +2 :               0.00000822382680
             12 vec=    10.583096    -12.099026     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00000329737428
                2s
                   +0 :              -0.00000054528487
                3s
                   +0 :              -0.00002202388192
                2p
                   -1 :              -0.00006059411731
                   +0 :              -0.00007432483927
                   +1 :               0.00013024854497
                3p
                   -1 :               0.00007633544331
                   +0 :               0.00004233215250
                   +1 :              -0.00011358604127
                3d
                   -2 :               0.00000590560200
                   -1 :              -0.00000143483824
                   +0 :               0.00000478805787
                   +1 :               0.00000174021905
                   +2 :              -0.00000003873020
             13 vec=   -12.757392     10.360369     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00001897666243
                2s
                   +0 :              -0.00012808982580
                3s
                   +0 :               0.00006197771206
                2p
                   -1 :               0.00005129778794
                   +0 :               0.00001000699918
                   +1 :               0.00007402730484
                3p
                   -1 :              -0.00004912039050
                   +0 :              -0.00003775066634
                   +1 :              -0.00003733250721
                3d
                   -2 :              -0.00000205374931
                   -1 :               0.00000305977963
                   +0 :               0.00000377615706
                   +1 :               0.00000991452218
                   +2 :               0.00000783458567
             14 vec=     2.802933    -16.590905     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000135497632
                2s
                   +0 :              -0.00003927826320
                3s
                   +0 :              -0.00000354141767
                2p
                   -1 :               0.00004440732736
                   +0 :              -0.00008197406430
                   +1 :               0.00009714698597
                3p
                   -1 :              -0.00000993860085
                   +0 :               0.00004280878009
                   +1 :              -0.00006870745858
                3d
                   -2 :               0.00000221331129
                   -1 :               0.00000021260247
                   +0 :              -0.00000282238844
                   +1 :               0.00000191628089
                   +2 :               0.00000372847802
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 15)  npairs=  14
              1 vec=    -2.593388      1.013667     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00235812161420
                2s
                   +0 :              -0.07957538582217
                3s
                   +0 :               0.00410532144898
                2p
                   -1 :              -0.01065256961242
                   +0 :               0.04526649002748
                   +1 :               0.03466975737805
                3p
                   -1 :               0.00111110513781
                   +0 :              -0.00626339377930
                   +1 :              -0.00385789941304
                3d
                   -2 :               0.00142265168107
                   -1 :               0.00056792356642
                   +0 :              -0.00081356008454
                   +1 :              -0.00141690495180
                   +2 :              -0.00160512241329
              2 vec=     5.186775     -3.478212     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00038854105012
                2s
                   +0 :              -0.00297684351056
                3s
                   +0 :               0.00143873394740
                2p
                   -1 :               0.00023491732971
                   +0 :               0.00190747211562
                   +1 :              -0.00355652774434
                3p
                   -1 :               0.00056324004462
                   +0 :              -0.00083671201830
                   +1 :               0.00213157694487
                3d
                   -2 :              -0.00025039054502
                   -1 :               0.00002068881283
                   +0 :              -0.00040300313450
                   +1 :              -0.00013227668591
                   +2 :               0.00003527072726
              3 vec=     5.186775      5.505546     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00035786213273
                2s
                   +0 :              -0.00190240757267
                3s
                   +0 :               0.00099491836676
                2p
                   -1 :              -0.00226602270498
                   +0 :              -0.00359306683496
                   +1 :              -0.00067080071161
                3p
                   -1 :               0.00096679709899
                   +0 :               0.00080086795780
                   +1 :               0.00172406376813
                3d
                   -2 :               0.00009300867401
                   -1 :              -0.00022288380837
                   +0 :              -0.00004815737623
                   +1 :              -0.00017256924243
                   +2 :               0.00020123468597
              4 vec=    -2.593388     -7.970091     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00024297680860
                2s
                   +0 :              -0.00168550394612
                3s
                   +0 :               0.00052354556408
                2p
                   -1 :               0.00211866523056
                   +0 :               0.00006286663588
                   +1 :               0.00101914451264
                3p
                   -1 :              -0.00088638811623
                   +0 :              -0.00109012369868
                   +1 :               0.00022152970840
                3d
                   -2 :              -0.00007657884194
                   -1 :               0.00013323713406
                   +0 :              -0.00001499703646
                   +1 :               0.00005240831836
                   +2 :              -0.00000053308953
              5 vec=    -2.593388      9.997425     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00015953155625
                2s
                   +0 :               0.00060679467953
                3s
                   +0 :              -0.00028564463766
                2p
                   -1 :              -0.00078931005409
                   +0 :               0.00042248211349
                   +1 :               0.00112534896164
                3p
                   -1 :               0.00073734177321
                   +0 :              -0.00058388900299
                   +1 :              -0.00094882442782
                3d
                   -2 :              -0.00012231421571
                   -1 :               0.00002198337772
                   +0 :              -0.00003581950504
                   +1 :               0.00004556329621
                   +2 :              -0.00007211935598
              6 vec=   -10.373550     -3.478212     -4.091257   |vec|=   11.681048
                1s
                   +0 :               0.00007136929188
                2s
                   +0 :              -0.00039448864570
                3s
                   +0 :               0.00010982324986
                2p
                   -1 :               0.00049443830725
                   +0 :               0.00023545519663
                   +1 :               0.00052248195188
                3p
                   -1 :              -0.00043155076389
                   +0 :              -0.00031427623609
                   +1 :              -0.00052150738648
                3d
                   -2 :               0.00000190831487
                   -1 :              -0.00001818828977
                   +0 :               0.00000177270551
                   +1 :              -0.00002732365282
                   +2 :               0.00002446835599
              7 vec=   -10.373550      5.505546     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00001944195752
                2s
                   +0 :              -0.00028972470545
                3s
                   +0 :               0.00004892369099
                2p
                   -1 :              -0.00043065180930
                   +0 :               0.00006822824175
                   +1 :               0.00006734622780
                3p
                   -1 :               0.00023920327008
                   +0 :               0.00004054404202
                   +1 :              -0.00013977350932
                3d
                   -2 :              -0.00000640426890
                   -1 :              -0.00000032600811
                   +0 :              -0.00001578794189
                   +1 :               0.00001057475548
                   +2 :               0.00001430438724
              8 vec=    12.966938      1.013667     -4.091257   |vec|=   13.634786
                1s
                   +0 :              -0.00001534538109
                2s
                   +0 :              -0.00010222913635
                3s
                   +0 :              -0.00020155716887
                2p
                   -1 :               0.00034341680124
                   +0 :               0.00010698009585
                   +1 :              -0.00005945212016
                3p
                   -1 :              -0.00030011384337
                   +0 :               0.00007885442608
                   +1 :              -0.00036084298509
                3d
                   -2 :              -0.00001411619046
                   -1 :               0.00000610156839
                   +0 :               0.00000920313914
                   +1 :               0.00002824145122
                   +2 :              -0.00004838878152
              9 vec=     5.186775    -12.461970     -4.091257   |vec|=   14.104670
                1s
                   +0 :               0.00001627320530
                2s
                   +0 :              -0.00021672406569
                3s
                   +0 :              -0.00001370166163
                2p
                   -1 :              -0.00001227726767
                   +0 :               0.00002179927303
                   +1 :              -0.00014250489593
                3p
                   -1 :               0.00023152282862
                   +0 :              -0.00000460860338
                   +1 :               0.00001459601064
                3d
                   -2 :               0.00002104316859
                   -1 :              -0.00000009595140
                   +0 :               0.00002851795903
                   +1 :               0.00001584736620
                   +2 :               0.00001691827976
             10 vec=    12.966938     -7.970091     -4.091257   |vec|=   15.760781
                1s
                   +0 :              -0.00000164780171
                2s
                   +0 :              -0.00008147245683
                3s
                   +0 :              -0.00000909711174
                2p
                   -1 :               0.00000338414616
                   +0 :               0.00001635940571
                   +1 :              -0.00006615169304
                3p
                   -1 :               0.00007829955627
                   +0 :              -0.00001313343404
                   +1 :               0.00000539271586
                3d
                   -2 :               0.00000187575340
                   -1 :               0.00000317038492
                   +0 :              -0.00000013468826
                   +1 :              -0.00000324345310
                   +2 :               0.00000543846814
             11 vec=     5.186775     14.489304     -4.091257   |vec|=   15.924226
                1s
                   +0 :               0.00006210710480
                2s
                   +0 :              -0.00039338666459
                3s
                   +0 :               0.00016745725072
                2p
                   -1 :              -0.00012690133744
                   +0 :               0.00016895757644
                   +1 :              -0.00005355663695
                3p
                   -1 :               0.00006347875751
                   +0 :              -0.00014820856705
                   +1 :               0.00003111077748
                3d
                   -2 :               0.00000692177463
                   -1 :              -0.00002004934651
                   +0 :               0.00001315469054
                   +1 :              -0.00001240347485
                   +2 :              -0.00000027179602
             12 vec=   -10.373550    -12.461970     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00002710861462
                2s
                   +0 :               0.00017382527652
                3s
                   +0 :              -0.00009248225319
                2p
                   -1 :              -0.00006516252625
                   +0 :              -0.00007827103152
                   +1 :              -0.00002177963100
                3p
                   -1 :               0.00003650440612
                   +0 :               0.00004595929288
                   +1 :               0.00003088983824
                3d
                   -2 :              -0.00000054220884
                   -1 :              -0.00000074830942
                   +0 :               0.00000072710408
                   +1 :              -0.00000365744863
                   +2 :               0.00000465818126
             13 vec=    12.966938      9.997425     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00000404488718
                2s
                   +0 :               0.00004811324551
                3s
                   +0 :              -0.00001558407855
                2p
                   -1 :               0.00005325529225
                   +0 :               0.00001831828718
                   +1 :               0.00000772791546
                3p
                   -1 :              -0.00005094833398
                   +0 :               0.00001171903822
                   +1 :              -0.00003224949130
                3d
                   -2 :              -0.00000550104568
                   -1 :               0.00000332972446
                   +0 :              -0.00000032942232
                   +1 :               0.00000597981485
                   +2 :              -0.00000316334907
             14 vec=    -2.593388    -16.953849     -4.091257   |vec|=   17.632272
                1s
                   +0 :               0.00000639816037
                2s
                   +0 :              -0.00004700930370
                3s
                   +0 :               0.00001262994916
                2p
                   -1 :               0.00004564001528
                   +0 :              -0.00000847362679
                   +1 :              -0.00000519220582
                3p
                   -1 :              -0.00002607768766
                   +0 :               0.00000152786909
                   +1 :              -0.00000059130974
                3d
                   -2 :               0.00000589666842
                   -1 :              -0.00000008725841
                   +0 :               0.00000063395588
                   +1 :               0.00000070514434
                   +2 :              -0.00000165300493
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 16)  npairs=  15
              1 vec=    -4.977229     -0.362644      8.182514   |vec|=    9.584251
                1s
                   +0 :              -0.00029905288926
                2s
                   +0 :               0.00347090144694
                3s
                   +0 :              -0.00016137898379
                2p
                   -1 :              -0.00449419891629
                   +0 :               0.00360452920965
                   +1 :              -0.00068861455769
                3p
                   -1 :               0.00157631025251
                   +0 :              -0.00033572832590
                   +1 :              -0.00077069554231
                3d
                   -2 :               0.00005715046893
                   -1 :              -0.00000586126065
                   +0 :               0.00002464358770
                   +1 :              -0.00012829166773
                   +2 :              -0.00007536888730
              2 vec=     2.802933      4.129235      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00033164251799
                2s
                   +0 :               0.00254901584271
                3s
                   +0 :              -0.00034891066816
                2p
                   -1 :               0.00133644312841
                   +0 :               0.00348943609815
                   +1 :               0.00019440847394
                3p
                   -1 :               0.00112371295512
                   +0 :              -0.00056596746646
                   +1 :              -0.00080698101584
                3d
                   -2 :              -0.00003843513959
                   -1 :               0.00032110115783
                   +0 :               0.00013834954504
                   +1 :              -0.00013897812446
                   +2 :              -0.00017074630724
              3 vec=     2.802933     -4.854523      8.182514   |vec|=    9.918486
                1s
                   +0 :              -0.00029395786431
                2s
                   +0 :               0.00282493102152
                3s
                   +0 :              -0.00005576158569
                2p
                   -1 :              -0.00095566765692
                   +0 :               0.00141024973319
                   +1 :               0.00259479547382
                3p
                   -1 :              -0.00004930099948
                   +0 :               0.00101685313020
                   +1 :              -0.00041266344289
                3d
                   -2 :              -0.00001925750567
                   -1 :               0.00005067830611
                   +0 :               0.00012474486277
                   +1 :               0.00019402733019
                   +2 :               0.00007483681438
              4 vec=    -4.977229      8.621114      8.182514   |vec|=   12.886037
                1s
                   +0 :              -0.00012086117346
                2s
                   +0 :               0.00103446935531
                3s
                   +0 :              -0.00047389160150
                2p
                   -1 :               0.00054237950475
                   +0 :              -0.00016778421423
                   +1 :              -0.00034702955397
                3p
                   -1 :              -0.00053275712153
                   +0 :              -0.00005583908737
                   +1 :               0.00003037882283
                3d
                   -2 :               0.00000613572791
                   -1 :              -0.00007727348691
                   +0 :               0.00000113225297
                   +1 :               0.00000412734401
                   +2 :               0.00005408028740
              5 vec=    -4.977229     -9.346402      8.182514   |vec|=   13.382137
                1s
                   +0 :              -0.00001259307649
                2s
                   +0 :               0.00021561262804
                3s
                   +0 :              -0.00001343831582
                2p
                   -1 :              -0.00017311019903
                   +0 :              -0.00024302170042
                   +1 :               0.00020440689656
                3p
                   -1 :               0.00005705559852
                   +0 :               0.00020194934781
                   +1 :              -0.00015705135884
                3d
                   -2 :              -0.00000166258387
                   -1 :               0.00000266464857
                   +0 :               0.00004106978889
                   +1 :               0.00000796917767
                   +2 :               0.00002280871004
              6 vec=    10.583096     -0.362644      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00004486001661
                2s
                   +0 :               0.00057017893754
                3s
                   +0 :              -0.00007383903846
                2p
                   -1 :               0.00009850024299
                   +0 :              -0.00000437622093
                   +1 :               0.00027769731545
                3p
                   -1 :              -0.00000394864658
                   +0 :              -0.00005743841638
                   +1 :               0.00005659894306
                3d
                   -2 :               0.00000390659951
                   -1 :               0.00002224326491
                   +0 :              -0.00001216742506
                   +1 :              -0.00000960407889
                   +2 :               0.00001321985084
              7 vec=   -12.757392      4.129235      8.182514   |vec|=   15.708443
                1s
                   +0 :              -0.00001082194606
                2s
                   +0 :               0.00013871934007
                3s
                   +0 :              -0.00002032508787
                2p
                   -1 :               0.00005811131391
                   +0 :               0.00011082394917
                   +1 :              -0.00024100700839
                3p
                   -1 :              -0.00003699527006
                   +0 :              -0.00005821055954
                   +1 :               0.00011977272309
                3d
                   -2 :               0.00000423422634
                   -1 :               0.00000504752292
                   +0 :              -0.00001039847417
                   +1 :               0.00000175167524
                   +2 :              -0.00000254169717
              8 vec=     2.802933     13.112993      8.182514   |vec|=   15.708614
                1s
                   +0 :               0.00003387004616
                2s
                   +0 :              -0.00020405931571
                3s
                   +0 :               0.00015259949822
                2p
                   -1 :              -0.00026064885624
                   +0 :              -0.00012496435911
                   +1 :               0.00012286791859
                3p
                   -1 :               0.00027349486305
                   +0 :               0.00013538484222
                   +1 :              -0.00003291140116
                3d
                   -2 :               0.00001038285058
                   -1 :               0.00001518653888
                   +0 :               0.00000388833272
                   +1 :               0.00000532265042
                   +2 :               0.00000436936322
              9 vec=   -12.757392     -4.854523      8.182514   |vec|=   15.914490
                1s
                   +0 :               0.00001890171122
                2s
                   +0 :              -0.00008543271735
                3s
                   +0 :               0.00008760987899
                2p
                   -1 :               0.00000540269944
                   +0 :               0.00009691619324
                   +1 :              -0.00003022164579
                3p
                   -1 :               0.00002595956975
                   +0 :              -0.00006901072571
                   +1 :              -0.00005449593488
                3d
                   -2 :              -0.00000136839347
                   -1 :               0.00000274302089
                   +0 :               0.00000370029274
                   +1 :               0.00001227232486
                   +2 :               0.00000754956443
             10 vec=    10.583096      8.621114      8.182514   |vec|=   15.914743
                1s
                   +0 :              -0.00000042682760
                2s
                   +0 :              -0.00001273482049
                3s
                   +0 :              -0.00000221051393
                2p
                   -1 :              -0.00005843018289
                   +0 :              -0.00004184182680
                   +1 :               0.00009008799122
                3p
                   -1 :               0.00005855624196
                   +0 :               0.00002962833185
                   +1 :              -0.00008343957049
                3d
                   -2 :               0.00000223296177
                   -1 :              -0.00000208923249
                   +0 :               0.00000231848342
                   +1 :               0.00000326176645
                   +2 :              -0.00000459079555
             11 vec=     2.802933    -13.838281      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00000821626516
                2s
                   +0 :               0.00005722692017
                3s
                   +0 :               0.00000517842626
                2p
                   -1 :              -0.00009325224451
                   +0 :              -0.00005060088996
                   +1 :              -0.00000069142926
                3p
                   -1 :               0.00003730846454
                   +0 :               0.00004698324078
                   +1 :               0.00001887237095
                3d
                   -2 :              -0.00000612677664
                   -1 :              -0.00000201560476
                   +0 :              -0.00000095911323
                   +1 :              -0.00000158913790
                   +2 :              -0.00000017577577
             12 vec=    10.583096     -9.346402      8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00000577393838
                2s
                   +0 :              -0.00002770478554
                3s
                   +0 :               0.00003185344007
                2p
                   -1 :              -0.00001665207204
                   +0 :              -0.00013709378013
                   +1 :               0.00005296022826
                3p
                   -1 :              -0.00002745582688
                   +0 :               0.00011847397346
                   +1 :              -0.00000795766563
                3d
                   -2 :              -0.00000145042397
                   -1 :              -0.00000741445447
                   +0 :               0.00000772857683
                   +1 :               0.00000059003463
                   +2 :              -0.00000340300931
             13 vec=    -4.977229     -0.362644    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00000207541528
                2s
                   +0 :              -0.00004520425588
                3s
                   +0 :              -0.00000550776894
                2p
                   -1 :              -0.00005029959761
                   +0 :               0.00013350687489
                   +1 :              -0.00014145370532
                3p
                   -1 :               0.00002456344603
                   +0 :              -0.00007138299205
                   +1 :               0.00010253909624
                3d
                   -2 :               0.00000855354557
                   -1 :               0.00000153495575
                   +0 :               0.00001122042525
                   +1 :               0.00000147791054
                   +2 :              -0.00000276534902
             14 vec=     2.802933      4.129235    -16.365028   |vec|=   17.109096
                1s
                   +0 :               0.00004302276546
                2s
                   +0 :              -0.00036033333657
                3s
                   +0 :               0.00008523931878
                2p
                   -1 :              -0.00005871805379
                   +0 :               0.00025019622680
                   +1 :              -0.00021734747518
                3p
                   -1 :               0.00006047857667
                   +0 :              -0.00010261301288
                   +1 :               0.00009543740754
                3d
                   -2 :              -0.00000080224231
                   -1 :              -0.00000752206382
                   +0 :              -0.00000137004456
                   +1 :               0.00000166831174
                   +2 :              -0.00000085657008
             15 vec=     2.802933     -4.854523    -16.365028   |vec|=   17.298468
                1s
                   +0 :               0.00002163647239
                2s
                   +0 :              -0.00022640883111
                3s
                   +0 :               0.00002418034102
                2p
                   -1 :              -0.00000898033081
                   +0 :               0.00020417837472
                   +1 :               0.00001626796712
                3p
                   -1 :               0.00005160182277
                   +0 :              -0.00004335717683
                   +1 :               0.00004884601830
                3d
                   -2 :              -0.00000493376004
                   -1 :              -0.00000965056109
                   +0 :               0.00000006536399
                   +1 :              -0.00000997123506
                   +2 :              -0.00000443647384
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 17)  npairs=  14
              1 vec=    -0.209546     -0.362644      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00034580791639
                2s
                   +0 :               0.00038832924993
                3s
                   +0 :              -0.00127673453330
                2p
                   -1 :               0.00062036428999
                   +0 :               0.00391642102774
                   +1 :              -0.00226831175338
                3p
                   -1 :              -0.00023896320945
                   +0 :              -0.00371588699579
                   +1 :               0.00131616303374
                3d
                   -2 :               0.00010918776322
                   -1 :               0.00005216626934
                   +0 :              -0.00075849048582
                   +1 :              -0.00012974468331
                   +2 :               0.00004780870749
              2 vec=     7.570617      4.129235      8.182514   |vec|=   11.887740
                1s
                   +0 :               0.00005563099603
                2s
                   +0 :              -0.00015132901661
                3s
                   +0 :               0.00015394187426
                2p
                   -1 :               0.00051713836859
                   +0 :               0.00052411238695
                   +1 :               0.00032864512795
                3p
                   -1 :              -0.00035856309502
                   +0 :              -0.00039057011628
                   +1 :              -0.00011696572056
                3d
                   -2 :              -0.00003980034047
                   -1 :              -0.00004474981968
                   +0 :              -0.00004243955649
                   +1 :               0.00000914877537
                   +2 :               0.00002781863030
              3 vec=    -0.209546      8.621114      8.182514   |vec|=   11.887853
                1s
                   +0 :               0.00024271257936
                2s
                   +0 :              -0.00100430076765
                3s
                   +0 :               0.00083453999191
                2p
                   -1 :               0.00149299798613
                   +0 :              -0.00122868358048
                   +1 :               0.00060312857617
                3p
                   -1 :              -0.00080305989665
                   +0 :               0.00094382110459
                   +1 :              -0.00050321957145
                3d
                   -2 :               0.00000524821262
                   -1 :              -0.00003368203908
                   +0 :               0.00004905693870
                   +1 :               0.00002930661711
                   +2 :               0.00004825282238
              4 vec=     7.570617     -4.854523      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00002738364372
                2s
                   +0 :               0.00034577011531
                3s
                   +0 :               0.00015424750908
                2p
                   -1 :              -0.00014974606166
                   +0 :              -0.00051268409684
                   +1 :               0.00011310387047
                3p
                   -1 :              -0.00007916678867
                   +0 :               0.00012780425185
                   +1 :               0.00024610535021
                3d
                   -2 :              -0.00001653236174
                   -1 :               0.00000085723215
                   +0 :              -0.00004243492701
                   +1 :               0.00002235174934
                   +2 :               0.00002442224529
              5 vec=    -7.989708      4.129235      8.182514   |vec|=   12.158929
                1s
                   +0 :              -0.00007072537954
                2s
                   +0 :               0.00053944037505
                3s
                   +0 :              -0.00028131686802
                2p
                   -1 :               0.00012920721516
                   +0 :              -0.00012727059713
                   +1 :              -0.00091519771382
                3p
                   -1 :               0.00008662039414
                   +0 :               0.00005380578528
                   +1 :               0.00048672880198
                3d
                   -2 :               0.00003478412578
                   -1 :              -0.00000263232521
                   +0 :               0.00002389018456
                   +1 :               0.00001658289125
                   +2 :              -0.00001196780827
              6 vec=    -0.209546     -9.346402      8.182514   |vec|=   12.423876
                1s
                   +0 :              -0.00002457579446
                2s
                   +0 :               0.00027227381922
                3s
                   +0 :              -0.00005015629863
                2p
                   -1 :              -0.00081898228408
                   +0 :              -0.00038633803945
                   +1 :               0.00032565158673
                3p
                   -1 :               0.00043011549441
                   +0 :               0.00043839450458
                   +1 :              -0.00028633296054
                3d
                   -2 :               0.00000156533424
                   -1 :              -0.00001556487909
                   +0 :               0.00006260204634
                   +1 :               0.00001474823473
                   +2 :               0.00003846665150
              7 vec=    -7.989708     -4.854523      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00001420857464
                2s
                   +0 :               0.00061561400044
                3s
                   +0 :              -0.00004448919670
                2p
                   -1 :              -0.00040245611419
                   +0 :               0.00062561590796
                   +1 :              -0.00080712274255
                3p
                   -1 :               0.00009047938169
                   +0 :              -0.00059946451805
                   +1 :               0.00036732798793
                3d
                   -2 :               0.00003174631714
                   -1 :               0.00000393953095
                   +0 :              -0.00001228791235
                   +1 :               0.00000670029911
                   +2 :              -0.00002115400330
              8 vec=    -0.209546     -0.362644    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00001944930838
                2s
                   +0 :               0.00009780979215
                3s
                   +0 :              -0.00008882289836
                2p
                   -1 :               0.00002613030515
                   +0 :              -0.00002178789930
                   +1 :               0.00014520501492
                3p
                   -1 :               0.00001503199697
                   +0 :               0.00007508545707
                   +1 :              -0.00012954037910
                3d
                   -2 :              -0.00000118647847
                   -1 :              -0.00000069331725
                   +0 :              -0.00000402974512
                   +1 :               0.00000483121810
                   +2 :               0.00000234959777
              9 vec=     7.570617     13.112993      8.182514   |vec|=   17.210995
                1s
                   +0 :               0.00001006737596
                2s
                   +0 :              -0.00007351322845
                3s
                   +0 :               0.00005974363241
                2p
                   -1 :               0.00006251542372
                   +0 :               0.00005857505050
                   +1 :               0.00000107261207
                3p
                   -1 :              -0.00002467025166
                   +0 :              -0.00004315805403
                   +1 :               0.00003200708829
                3d
                   -2 :               0.00000512415875
                   -1 :              -0.00000621929225
                   +0 :              -0.00000779880896
                   +1 :               0.00000200019624
                   +2 :               0.00000109233851
             10 vec=    15.350780     -0.362644      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00001105977059
                2s
                   +0 :               0.00009193504456
                3s
                   +0 :              -0.00002206817101
                2p
                   -1 :               0.00002334924746
                   +0 :               0.00001122292218
                   +1 :               0.00014064063618
                3p
                   -1 :              -0.00003176996350
                   +0 :               0.00002017757556
                   +1 :              -0.00005065155518
                3d
                   -2 :              -0.00000452108753
                   -1 :              -0.00000056355014
                   +0 :               0.00000074002276
                   +1 :               0.00000169598189
                   +2 :               0.00000130080681
             11 vec=    -7.989708     13.112993      8.182514   |vec|=   17.399412
                1s
                   +0 :              -0.00000645617242
                2s
                   +0 :               0.00007498378485
                3s
                   +0 :              -0.00000831948290
                2p
                   -1 :               0.00004856208888
                   +0 :               0.00002602102818
                   +1 :               0.00009090470388
                3p
                   -1 :               0.00000117799068
                   +0 :               0.00001229757192
                   +1 :              -0.00008994365734
                3d
                   -2 :              -0.00000568035532
                   -1 :               0.00000629564137
                   +0 :              -0.00000511222869
                   +1 :              -0.00000244514919
                   +2 :               0.00000049714296
             12 vec=     7.570617    -13.838281      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000042772069
                2s
                   +0 :               0.00003651533217
                3s
                   +0 :               0.00001999531164
                2p
                   -1 :              -0.00002362702240
                   +0 :               0.00003449504961
                   +1 :               0.00002719990439
                3p
                   -1 :              -0.00002602254139
                   +0 :               0.00000735014026
                   +1 :               0.00001791843931
                3d
                   -2 :              -0.00000583655828
                   -1 :              -0.00000366159853
                   +0 :               0.00000327079213
                   +1 :               0.00000762557707
                   +2 :               0.00000223235691
             13 vec=   -15.769871     -0.362644      8.182514   |vec|=   17.770028
                1s
                   +0 :              -0.00001493212187
                2s
                   +0 :               0.00011362990880
                3s
                   +0 :              -0.00002353779271
                2p
                   -1 :               0.00001685121025
                   +0 :               0.00001982575897
                   +1 :              -0.00001017468129
                3p
                   -1 :              -0.00004029525935
                   +0 :               0.00002826034745
                   +1 :              -0.00002164119417
                3d
                   -2 :               0.00000153693078
                   -1 :              -0.00000215833458
                   +0 :               0.00000188856348
                   +1 :               0.00000016296967
                   +2 :               0.00000097776565
             14 vec=    -7.989708    -13.838281      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00000320945258
                2s
                   +0 :               0.00000826577513
                3s
                   +0 :               0.00001200475215
                2p
                   -1 :               0.00002513915112
                   +0 :               0.00004805551526
                   +1 :              -0.00002242220585
                3p
                   -1 :              -0.00003940778655
                   +0 :              -0.00003604648169
                   +1 :               0.00000248945696
                3d
                   -2 :              -0.00000049214003
                   -1 :               0.00000022425947
                   +0 :              -0.00000154329137
                   +1 :               0.00000309689956
                   +2 :               0.00000372774091
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 18)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00018237536482
                2s
                   +0 :               0.00157206202437
                3s
                   +0 :               0.00012936045236
                2p
                   -1 :               0.00167356879640
                   +0 :               0.00057873719615
                   +1 :              -0.00145970217078
                3p
                   -1 :              -0.00163267297245
                   +0 :               0.00102656392725
                   +1 :              -0.00033721687872
                3d
                   -2 :               0.00002225652794
                   -1 :              -0.00008592957566
                   +0 :               0.00004547736967
                   +1 :              -0.00022358070961
                   +2 :               0.00003941976968
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00057524696154
                2s
                   +0 :               0.00558155082045
                3s
                   +0 :              -0.00087314336739
                2p
                   -1 :              -0.00281299228630
                   +0 :               0.00742318777077
                   +1 :               0.00345181188160
                3p
                   -1 :               0.00073557485211
                   +0 :              -0.00137955403462
                   +1 :              -0.00044655435174
                3d
                   -2 :              -0.00018832851781
                   -1 :              -0.00013913035772
                   +0 :               0.00019069320001
                   +1 :               0.00027021998957
                   +2 :               0.00004244233212
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :              -0.00033358840462
                2s
                   +0 :               0.00331081257155
                3s
                   +0 :              -0.00056086979681
                2p
                   -1 :               0.00219867297100
                   +0 :               0.00245622532313
                   +1 :               0.00116613062601
                3p
                   -1 :               0.00018707955740
                   +0 :              -0.00050550367016
                   +1 :               0.00001016722820
                3d
                   -2 :               0.00007530681675
                   -1 :               0.00017407181855
                   +0 :               0.00000073160460
                   +1 :               0.00007339924059
                   +2 :              -0.00008261095528
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :              -0.00001337179998
                2s
                   +0 :               0.00040891675665
                3s
                   +0 :              -0.00004633457227
                2p
                   -1 :              -0.00036131574936
                   +0 :              -0.00040367597299
                   +1 :              -0.00018145353131
                3p
                   -1 :               0.00006594632160
                   +0 :               0.00015654422660
                   +1 :               0.00017559841319
                3d
                   -2 :              -0.00002506510869
                   -1 :               0.00001860927285
                   +0 :              -0.00003445794222
                   +1 :               0.00001577087651
                   +2 :              -0.00001693974288
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000419793649
                2s
                   +0 :               0.00013521615807
                3s
                   +0 :               0.00006659571042
                2p
                   -1 :               0.00027271392495
                   +0 :              -0.00040832996240
                   +1 :              -0.00019852620288
                3p
                   -1 :              -0.00012154586753
                   +0 :               0.00036980187936
                   +1 :               0.00013954508751
                3d
                   -2 :               0.00000275730364
                   -1 :              -0.00002234815432
                   +0 :               0.00003134745874
                   +1 :              -0.00000503777066
                   +2 :              -0.00000961884190
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :               0.00001119764480
                2s
                   +0 :               0.00006374800471
                3s
                   +0 :               0.00002149669265
                2p
                   -1 :               0.00051337984674
                   +0 :              -0.00039120223998
                   +1 :              -0.00019320033099
                3p
                   -1 :              -0.00045452642429
                   +0 :               0.00018219776375
                   +1 :               0.00035126614264
                3d
                   -2 :              -0.00002798927847
                   -1 :              -0.00003216060335
                   +0 :               0.00002834462939
                   +1 :               0.00000889950908
                   +2 :               0.00002450563494
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :              -0.00000313771255
                2s
                   +0 :               0.00007045880743
                3s
                   +0 :              -0.00000316808521
                2p
                   -1 :              -0.00017598567489
                   +0 :               0.00001560646111
                   +1 :              -0.00016316253212
                3p
                   -1 :               0.00010521296573
                   +0 :               0.00000398948705
                   +1 :               0.00011824195506
                3d
                   -2 :              -0.00000678287741
                   -1 :              -0.00000250822181
                   +0 :              -0.00000080789482
                   +1 :               0.00000182785207
                   +2 :               0.00000058097333
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00001858073286
                2s
                   +0 :               0.00019444639007
                3s
                   +0 :              -0.00005788393044
                2p
                   -1 :              -0.00003876508802
                   +0 :               0.00015544074617
                   +1 :              -0.00017343661412
                3p
                   -1 :              -0.00005940802503
                   +0 :              -0.00011320506631
                   +1 :               0.00010888727949
                3d
                   -2 :              -0.00000752958351
                   -1 :               0.00001644179316
                   +0 :              -0.00000725555735
                   +1 :               0.00001266628275
                   +2 :              -0.00002143415140
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :               0.00000395812044
                2s
                   +0 :              -0.00004199067929
                3s
                   +0 :               0.00003149510659
                2p
                   -1 :              -0.00001396643487
                   +0 :              -0.00008320270688
                   +1 :               0.00009203166786
                3p
                   -1 :               0.00001285563493
                   +0 :               0.00005499723909
                   +1 :              -0.00003024323504
                3d
                   -2 :              -0.00000373258031
                   -1 :               0.00000336622229
                   +0 :               0.00001061597188
                   +1 :               0.00000198514822
                   +2 :               0.00000143862483
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00000109796164
                2s
                   +0 :              -0.00001897054845
                3s
                   +0 :              -0.00000563283912
                2p
                   -1 :               0.00010792881945
                   +0 :              -0.00003737421601
                   +1 :               0.00003410157924
                3p
                   -1 :              -0.00008038837994
                   +0 :               0.00000651055849
                   +1 :              -0.00001389453806
                3d
                   -2 :               0.00000052984849
                   -1 :              -0.00000467502638
                   +0 :              -0.00000228145488
                   +1 :              -0.00000238847013
                   +2 :               0.00000074307902
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000915818684
                2s
                   +0 :              -0.00000515911175
                3s
                   +0 :               0.00002396584289
                2p
                   -1 :              -0.00000887278396
                   +0 :               0.00010150596985
                   +1 :               0.00005722265569
                3p
                   -1 :               0.00004598582686
                   +0 :              -0.00007387931756
                   +1 :              -0.00006817322311
                3d
                   -2 :               0.00000186002627
                   -1 :              -0.00000693481994
                   +0 :              -0.00000028453444
                   +1 :               0.00000286651003
                   +2 :              -0.00000125754361
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00002791966684
                2s
                   +0 :              -0.00014960076835
                3s
                   +0 :               0.00011466094574
                2p
                   -1 :              -0.00022080238898
                   +0 :              -0.00000465276302
                   +1 :              -0.00001716474134
                3p
                   -1 :               0.00024411252925
                   +0 :               0.00001637182014
                   +1 :              -0.00004246663695
                3d
                   -2 :              -0.00001615932591
                   -1 :               0.00001006795182
                   +0 :              -0.00002488220756
                   +1 :              -0.00001201930698
                   +2 :              -0.00000891832879
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :               0.00000506109883
                2s
                   +0 :              -0.00006143578854
                3s
                   +0 :              -0.00002398337618
                2p
                   -1 :              -0.00007971041313
                   +0 :               0.00003226477745
                   +1 :              -0.00000818337443
                3p
                   -1 :               0.00010324660693
                   +0 :               0.00006508244980
                   +1 :              -0.00001581604788
                3d
                   -2 :              -0.00000086890445
                   -1 :              -0.00000576858322
                   +0 :               0.00000137968485
                   +1 :               0.00000655889549
                   +2 :               0.00000090326644
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00003418318535
                2s
                   +0 :              -0.00027108295332
                3s
                   +0 :               0.00007765103126
                2p
                   -1 :              -0.00008628424571
                   +0 :               0.00011487750834
                   +1 :               0.00005460731429
                3p
                   -1 :              -0.00000447706869
                   +0 :              -0.00002243493948
                   +1 :              -0.00006209026127
                3d
                   -2 :               0.00000017179688
                   -1 :               0.00000623206795
                   +0 :               0.00000648675701
                   +1 :               0.00000482511219
                   +2 :               0.00000273969305
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :               0.00002583027844
                2s
                   +0 :              -0.00030717363282
                3s
                   +0 :               0.00002580050984
                2p
                   -1 :               0.00013684093209
                   +0 :               0.00024321897358
                   +1 :               0.00013890855894
                3p
                   -1 :              -0.00010136714978
                   +0 :              -0.00004908449191
                   +1 :              -0.00003847276764
                3d
                   -2 :              -0.00000052835621
                   -1 :               0.00000002108135
                   +0 :               0.00000082844914
                   +1 :              -0.00000904118979
                   +2 :               0.00000113810352
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 19)  npairs=  14
              1 vec=    -2.802674      1.376461      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00236335213791
                2s
                   +0 :               0.06027634775794
                3s
                   +0 :              -0.00350444008318
                2p
                   -1 :               0.01435695699641
                   +0 :               0.02399773048946
                   +1 :              -0.02143003918646
                3p
                   -1 :              -0.00346922690723
                   +0 :               0.00287957769818
                   +1 :              -0.00300443045290
                3d
                   -2 :              -0.00089471359722
                   -1 :               0.00196206091681
                   +0 :               0.00149036537978
                   +1 :              -0.00251629728852
                   +2 :               0.00059516279987
              2 vec=     4.977489     -3.115418      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00009003470149
                2s
                   +0 :              -0.00151599895101
                3s
                   +0 :               0.00049706307059
                2p
                   -1 :               0.00066620396765
                   +0 :               0.00153251457554
                   +1 :               0.00033308473221
                3p
                   -1 :              -0.00107411036701
                   +0 :              -0.00123137198012
                   +1 :               0.00048313866441
                3d
                   -2 :               0.00008369624704
                   -1 :               0.00005144040060
                   +0 :              -0.00033596742661
                   +1 :              -0.00019511357372
                   +2 :              -0.00005420003277
              3 vec=     4.977489      5.868340      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00026979428738
                2s
                   +0 :              -0.00278090278340
                3s
                   +0 :               0.00098880678471
                2p
                   -1 :               0.00076844488795
                   +0 :              -0.00333010706967
                   +1 :              -0.00243085310933
                3p
                   -1 :               0.00020280986003
                   +0 :               0.00081819670918
                   +1 :               0.00127519664921
                3d
                   -2 :               0.00003710671913
                   -1 :              -0.00019992382892
                   +0 :              -0.00009826019468
                   +1 :               0.00008253633412
                   +2 :              -0.00008254396178
              4 vec=    -2.802674     -7.607297      4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00012543538460
                2s
                   +0 :              -0.00055866058464
                3s
                   +0 :               0.00052478817399
                2p
                   -1 :              -0.00270523409385
                   +0 :              -0.00106123518448
                   +1 :              -0.00040502241126
                3p
                   -1 :               0.00183285778973
                   +0 :               0.00002927335958
                   +1 :              -0.00064572940668
                3d
                   -2 :               0.00011623479774
                   -1 :               0.00012717724734
                   +0 :               0.00001237559060
                   +1 :               0.00005376383129
                   +2 :               0.00011293535169
              5 vec=    -2.802674     10.360219      4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00025184987821
                2s
                   +0 :              -0.00138416483821
                3s
                   +0 :               0.00081197553920
                2p
                   -1 :              -0.00075309685549
                   +0 :               0.00051871980785
                   +1 :               0.00097788105425
                3p
                   -1 :               0.00079243158470
                   +0 :              -0.00052184586198
                   +1 :              -0.00087694617690
                3d
                   -2 :              -0.00007656200039
                   -1 :              -0.00002328858877
                   +0 :              -0.00004868942389
                   +1 :               0.00001425307900
                   +2 :               0.00000284444215
              6 vec=   -10.582837     -3.115418      4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00002947011492
                2s
                   +0 :               0.00000358425866
                3s
                   +0 :               0.00016360128119
                2p
                   -1 :              -0.00005287425948
                   +0 :              -0.00018340048406
                   +1 :              -0.00024881581594
                3p
                   -1 :              -0.00009624396175
                   +0 :               0.00009693233283
                   +1 :               0.00003793733123
                3d
                   -2 :               0.00000658987453
                   -1 :              -0.00000340668416
                   +0 :              -0.00001741934324
                   +1 :               0.00000328728703
                   +2 :               0.00000941147070
              7 vec=   -10.582837      5.868340      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00001615855166
                2s
                   +0 :               0.00005227210792
                3s
                   +0 :               0.00013212813668
                2p
                   -1 :               0.00009890262504
                   +0 :              -0.00005929789122
                   +1 :               0.00039807117586
                3p
                   -1 :               0.00005232494137
                   +0 :               0.00017852902120
                   +1 :              -0.00032503720744
                3d
                   -2 :               0.00000313209001
                   -1 :               0.00003340385822
                   +0 :              -0.00004049742287
                   +1 :               0.00000570570927
                   +2 :               0.00000411566703
              8 vec=    12.757651      1.376461      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00006159761754
                2s
                   +0 :               0.00071178220258
                3s
                   +0 :              -0.00016775361440
                2p
                   -1 :              -0.00013330197115
                   +0 :              -0.00016895994678
                   +1 :               0.00079644653685
                3p
                   -1 :               0.00007809632878
                   +0 :               0.00009222125142
                   +1 :              -0.00026525281663
                3d
                   -2 :               0.00002537414246
                   -1 :              -0.00001746557406
                   +0 :              -0.00002012730830
                   +1 :               0.00001290223124
                   +2 :               0.00002312587170
              9 vec=     4.977489    -12.099176      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00002270299972
                2s
                   +0 :               0.00012637541934
                3s
                   +0 :               0.00014612482946
                2p
                   -1 :              -0.00039311506683
                   +0 :               0.00003815459124
                   +1 :               0.00029159077691
                3p
                   -1 :               0.00008519362213
                   +0 :              -0.00006881679244
                   +1 :              -0.00005771544955
                3d
                   -2 :              -0.00001827132897
                   -1 :               0.00003055152599
                   +0 :              -0.00000923694110
                   +1 :              -0.00000086728083
                   +2 :              -0.00001254762088
             10 vec=    12.757651     -7.607297      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00004955204755
                2s
                   +0 :              -0.00030122288206
                3s
                   +0 :               0.00013941803398
                2p
                   -1 :               0.00006263189736
                   +0 :              -0.00001765896455
                   +1 :              -0.00015734425574
                3p
                   -1 :              -0.00004494082266
                   +0 :               0.00000532899506
                   +1 :               0.00014633940311
                3d
                   -2 :              -0.00000572958411
                   -1 :              -0.00000035814682
                   +0 :               0.00000157654480
                   +1 :               0.00000374885870
                   +2 :               0.00000802382025
             11 vec=     4.977489     14.852098      4.091257   |vec|=   16.189460
                1s
                   +0 :               0.00001036532154
                2s
                   +0 :              -0.00006553190651
                3s
                   +0 :               0.00006551234520
                2p
                   -1 :              -0.00016642666921
                   +0 :              -0.00003962832538
                   +1 :              -0.00016114012534
                3p
                   -1 :               0.00019452101689
                   +0 :               0.00001540365693
                   +1 :               0.00018983046765
                3d
                   -2 :               0.00002677551931
                   -1 :               0.00000260412025
                   +0 :              -0.00000736303571
                   +1 :               0.00000343553110
                   +2 :              -0.00000608525690
             12 vec=   -10.582837    -12.099176      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00000003859789
                2s
                   +0 :               0.00001982889597
                3s
                   +0 :               0.00001113022852
                2p
                   -1 :               0.00001151551247
                   +0 :              -0.00004882638561
                   +1 :               0.00014148819146
                3p
                   -1 :              -0.00004468358787
                   +0 :               0.00002449382191
                   +1 :              -0.00014688009508
                3d
                   -2 :               0.00000940731683
                   -1 :              -0.00000232027968
                   +0 :              -0.00000995393928
                   +1 :               0.00000306027394
                   +2 :              -0.00000054128989
             13 vec=    12.757651     10.360219      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00000563890858
                2s
                   +0 :               0.00002809776541
                3s
                   +0 :              -0.00002428173244
                2p
                   -1 :              -0.00001437641850
                   +0 :               0.00006181866246
                   +1 :               0.00002753198159
                3p
                   -1 :               0.00003176641061
                   +0 :              -0.00005828202709
                   +1 :              -0.00000826712020
                3d
                   -2 :              -0.00000222107353
                   -1 :              -0.00000041277227
                   +0 :              -0.00000528513782
                   +1 :              -0.00000798004295
                   +2 :              -0.00000572049427
             14 vec=    -2.802674    -16.591055      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000128854969
                2s
                   +0 :               0.00000678707281
                3s
                   +0 :               0.00001409522993
                2p
                   -1 :              -0.00004283674528
                   +0 :              -0.00005720515165
                   +1 :               0.00006292641030
                3p
                   -1 :               0.00000666902586
                   +0 :               0.00003116047335
                   +1 :              -0.00005192662267
                3d
                   -2 :              -0.00000111334452
                   -1 :               0.00000177501752
                   +0 :               0.00000287944453
                   +1 :              -0.00000061358081
                   +2 :              -0.00000423155441
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 20)  npairs=  14
              1 vec=     0.209286     -3.115418      4.091257   |vec|=    5.146651
                1s
                   +0 :              -0.00246000503554
                2s
                   +0 :               0.05304591161135
                3s
                   +0 :              -0.00372853285027
                2p
                   -1 :              -0.02467849161872
                   +0 :               0.02523615800622
                   +1 :               0.00596127786087
                3p
                   -1 :               0.00129837421825
                   +0 :              -0.00023667998372
                   +1 :              -0.00325113903546
                3d
                   -2 :              -0.00062680589760
                   -1 :              -0.00291791331477
                   +0 :               0.00099036692453
                   +1 :               0.00080174022293
                   +2 :              -0.00120757837240
              2 vec=     0.209286      5.868340      4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00227552511984
                2s
                   +0 :               0.01632341935324
                3s
                   +0 :              -0.00760373775449
                2p
                   -1 :               0.01514863367323
                   +0 :               0.00584382820837
                   +1 :               0.00130211068403
                3p
                   -1 :              -0.01081178454193
                   +0 :              -0.00446945646619
                   +1 :              -0.00065381208502
                3d
                   -2 :              -0.00005148531069
                   -1 :              -0.00052267642453
                   +0 :               0.00036847329015
                   +1 :              -0.00002930046017
                   +2 :               0.00076586645109
              3 vec=    -7.570876      1.376461      4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00009604044030
                2s
                   +0 :               0.00088928603149
                3s
                   +0 :               0.00006121068670
                2p
                   -1 :              -0.00134846459284
                   +0 :              -0.00269714904261
                   +1 :              -0.00536479666380
                3p
                   -1 :               0.00062726769380
                   +0 :               0.00052134612840
                   +1 :               0.00200436965366
                3d
                   -2 :               0.00000581689929
                   -1 :              -0.00004500386398
                   +0 :              -0.00012773259291
                   +1 :               0.00013870763213
                   +2 :               0.00007607534368
              4 vec=     7.989449      1.376461      4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00015737282064
                2s
                   +0 :               0.00106632320970
                3s
                   +0 :              -0.00015084528509
                2p
                   -1 :              -0.00105944662094
                   +0 :              -0.00188494009133
                   +1 :               0.00209290333388
                3p
                   -1 :               0.00068051720728
                   +0 :               0.00051157695104
                   +1 :               0.00052581320541
                3d
                   -2 :               0.00008730344467
                   -1 :              -0.00001580430973
                   +0 :              -0.00014526840464
                   +1 :              -0.00003236692451
                   +2 :               0.00019339051656
              5 vec=    -7.570876     -7.607297      4.091257   |vec|=   11.485970
                1s
                   +0 :              -0.00005197624656
                2s
                   +0 :               0.00064023160018
                3s
                   +0 :              -0.00020717653858
                2p
                   -1 :              -0.00087157601012
                   +0 :              -0.00017520488112
                   +1 :               0.00007218097084
                3p
                   -1 :               0.00068844305127
                   +0 :               0.00010106158505
                   +1 :              -0.00024968495892
                3d
                   -2 :              -0.00005341552971
                   -1 :               0.00003822533115
                   +0 :               0.00004430847402
                   +1 :              -0.00000153461650
                   +2 :               0.00004890910009
              6 vec=     7.989449     -7.607297      4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00007021849028
                2s
                   +0 :               0.00042983390077
                3s
                   +0 :              -0.00024696144832
                2p
                   -1 :              -0.00001998878816
                   +0 :              -0.00030013151481
                   +1 :               0.00096097547046
                3p
                   -1 :               0.00012277788120
                   +0 :               0.00014562667619
                   +1 :              -0.00087428726450
                3d
                   -2 :               0.00006662581086
                   -1 :               0.00000209708378
                   +0 :               0.00003302125890
                   +1 :              -0.00001011945936
                   +2 :               0.00000928500628
              7 vec=     0.209286    -12.099176      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00000666786052
                2s
                   +0 :               0.00011166069640
                3s
                   +0 :               0.00002540224771
                2p
                   -1 :               0.00015181208385
                   +0 :               0.00030604168388
                   +1 :              -0.00007213145263
                3p
                   -1 :              -0.00021626861577
                   +0 :              -0.00016337516322
                   +1 :              -0.00000352571625
                3d
                   -2 :              -0.00001618307586
                   -1 :               0.00002373092478
                   +0 :              -0.00000583957465
                   +1 :               0.00002353472175
                   +2 :               0.00002977671363
              8 vec=    -7.570876     10.360219      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00001467260813
                2s
                   +0 :               0.00033442079061
                3s
                   +0 :               0.00005661828050
                2p
                   -1 :               0.00009013200034
                   +0 :               0.00009632684801
                   +1 :              -0.00015238813887
                3p
                   -1 :               0.00020020888839
                   +0 :              -0.00007786358011
                   +1 :              -0.00003031105140
                3d
                   -2 :              -0.00003758391837
                   -1 :              -0.00001885490470
                   +0 :              -0.00002718293614
                   +1 :              -0.00000015932684
                   +2 :              -0.00002374057720
              9 vec=     7.989449     10.360219      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00001099927248
                2s
                   +0 :              -0.00002881626477
                3s
                   +0 :               0.00005258712528
                2p
                   -1 :              -0.00003831978074
                   +0 :              -0.00015194645654
                   +1 :               0.00022804901232
                3p
                   -1 :               0.00006343837979
                   +0 :               0.00009610430151
                   +1 :              -0.00015391852754
                3d
                   -2 :              -0.00001469249289
                   -1 :               0.00000661285392
                   +0 :              -0.00000422578156
                   +1 :              -0.00000599163202
                   +2 :               0.00000850169559
             10 vec=     0.209286     14.852098      4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00003191837483
                2s
                   +0 :               0.00019497085433
                3s
                   +0 :              -0.00005659135395
                2p
                   -1 :               0.00022898529109
                   +0 :               0.00011157311315
                   +1 :               0.00004912076129
                3p
                   -1 :              -0.00011107423704
                   +0 :              -0.00010745769594
                   +1 :              -0.00001789890122
                3d
                   -2 :               0.00000766020366
                   -1 :              -0.00000740969216
                   +0 :              -0.00001294855925
                   +1 :              -0.00000736205937
                   +2 :              -0.00001540232173
             11 vec=   -15.351039     -3.115418      4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00001066298870
                2s
                   +0 :               0.00007952442400
                3s
                   +0 :               0.00000079739793
                2p
                   -1 :              -0.00003968946834
                   +0 :              -0.00002106480703
                   +1 :              -0.00002301407993
                3p
                   -1 :              -0.00000755855260
                   +0 :               0.00001481747203
                   +1 :              -0.00002746874123
                3d
                   -2 :               0.00000448647699
                   -1 :              -0.00000613229314
                   +0 :              -0.00001177261554
                   +1 :              -0.00000465078395
                   +2 :              -0.00000605408210
             12 vec=    15.769612     -3.115418      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00002417923553
                2s
                   +0 :              -0.00016965510656
                3s
                   +0 :               0.00006513333997
                2p
                   -1 :              -0.00003758865655
                   +0 :               0.00002542409041
                   +1 :              -0.00013326955309
                3p
                   -1 :               0.00002266120539
                   +0 :              -0.00004874232058
                   +1 :               0.00009159651382
                3d
                   -2 :               0.00000026286851
                   -1 :               0.00000403614660
                   +0 :              -0.00000649138410
                   +1 :              -0.00000075519829
                   +2 :               0.00000153080372
             13 vec=   -15.351039      5.868340      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00000300745151
                2s
                   +0 :               0.00002439916514
                3s
                   +0 :              -0.00000227528907
                2p
                   -1 :              -0.00004832560843
                   +0 :              -0.00008570448081
                   +1 :              -0.00002591194025
                3p
                   -1 :               0.00006155386028
                   +0 :               0.00006264366936
                   +1 :               0.00001894348987
                3d
                   -2 :              -0.00000277554662
                   -1 :               0.00000250568900
                   +0 :               0.00000444602872
                   +1 :               0.00000273706887
                   +2 :               0.00000440930822
             14 vec=    15.769612      5.868340      4.091257   |vec|=   17.316364
                1s
                   +0 :               0.00000058962542
                2s
                   +0 :              -0.00001721281064
                3s
                   +0 :               0.00000127836073
                2p
                   -1 :               0.00006777348853
                   +0 :               0.00004149680169
                   +1 :              -0.00001735835245
                3p
                   -1 :              -0.00002886660871
                   +0 :              -0.00005473395703
                   +1 :              -0.00000149192082
                3d
                   -2 :              -0.00000182499542
                   -1 :               0.00000015138836
                   +0 :              -0.00000165478789
                   +1 :              -0.00000063504079
                   +2 :              -0.00000145247902
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 21)  npairs=  14
              1 vec=     2.593388      1.013967      4.091257   |vec|=    4.948957
                1s
                   +0 :              -0.00266875560729
                2s
                   +0 :               0.08158329931293
                3s
                   +0 :              -0.00482231111805
                2p
                   -1 :               0.01184037597078
                   +0 :               0.04391934339920
                   +1 :               0.03522003742328
                3p
                   -1 :              -0.00203599324272
                   +0 :              -0.00608170712683
                   +1 :              -0.00424523688209
                3d
                   -2 :               0.00131904240102
                   -1 :               0.00054742253390
                   +0 :               0.00096532923110
                   +1 :               0.00155646431024
                   +2 :               0.00172548969900
              2 vec=    -5.186775     -3.477912      4.091257   |vec|=    7.465715
                1s
                   +0 :              -0.00042446439128
                2s
                   +0 :               0.00318845933653
                3s
                   +0 :              -0.00148968765935
                2p
                   -1 :              -0.00000337446477
                   +0 :               0.00191404258688
                   +1 :              -0.00377924629493
                3p
                   -1 :              -0.00074511393710
                   +0 :              -0.00076228478514
                   +1 :               0.00222100806444
                3d
                   -2 :              -0.00021616227913
                   -1 :              -0.00001414093020
                   +0 :               0.00039313282647
                   +1 :               0.00012839324595
                   +2 :              -0.00006625674575
              3 vec=    -5.186775      5.505846      4.091257   |vec|=    8.599730
                1s
                   +0 :              -0.00026569963397
                2s
                   +0 :               0.00127099180647
                3s
                   +0 :              -0.00088310354477
                2p
                   -1 :               0.00308284966359
                   +0 :              -0.00355771623035
                   +1 :              -0.00118845493563
                3p
                   -1 :              -0.00093433685806
                   +0 :               0.00062671814551
                   +1 :               0.00179556161089
                3d
                   -2 :               0.00003432032844
                   -1 :              -0.00018347632000
                   +0 :              -0.00001133982225
                   +1 :               0.00020656650582
                   +2 :              -0.00019311730006
              4 vec=     2.593388     -7.969791      4.091257   |vec|=    9.326393
                1s
                   +0 :              -0.00024816496491
                2s
                   +0 :               0.00176499769057
                3s
                   +0 :              -0.00057171925235
                2p
                   -1 :              -0.00241805465941
                   +0 :               0.00036346178940
                   +1 :               0.00103157455436
                3p
                   -1 :               0.00100086259433
                   +0 :              -0.00120881688401
                   +1 :               0.00011968530464
                3d
                   -2 :              -0.00006679335989
                   -1 :               0.00015385695652
                   +0 :              -0.00001515310336
                   +1 :              -0.00005738633179
                   +2 :              -0.00000543204269
              5 vec=     2.593388      9.997725      4.091257   |vec|=   11.109390
                1s
                   +0 :               0.00019329523662
                2s
                   +0 :              -0.00089013494515
                3s
                   +0 :               0.00043572587593
                2p
                   -1 :               0.00070253212608
                   +0 :               0.00090589610285
                   +1 :               0.00109330499562
                3p
                   -1 :              -0.00050680133861
                   +0 :              -0.00100548523758
                   +1 :              -0.00087892898507
                3d
                   -2 :              -0.00010648646408
                   -1 :              -0.00002872064029
                   +0 :               0.00007949567810
                   +1 :              -0.00003969078130
                   +2 :               0.00006445415435
              6 vec=    10.373550     -3.477912      4.091257   |vec|=   11.680959
                1s
                   +0 :              -0.00002302818960
                2s
                   +0 :               0.00007536226008
                3s
                   +0 :              -0.00001136137635
                2p
                   -1 :              -0.00052087045787
                   +0 :               0.00008469439939
                   +1 :               0.00029491621222
                3p
                   -1 :               0.00045948793367
                   +0 :              -0.00017289800135
                   +1 :              -0.00035383315559
                3d
                   -2 :               0.00000027822032
                   -1 :              -0.00001328820436
                   +0 :              -0.00000615125857
                   +1 :               0.00003614061098
                   +2 :              -0.00002004358266
              7 vec=    10.373550      5.505846      4.091257   |vec|=   12.436369
                1s
                   +0 :              -0.00000981384181
                2s
                   +0 :               0.00018827669761
                3s
                   +0 :              -0.00003229387982
                2p
                   -1 :               0.00053621677485
                   +0 :               0.00004942621024
                   +1 :              -0.00007247455218
                3p
                   -1 :              -0.00028380855725
                   +0 :               0.00003070763671
                   +1 :              -0.00002978497973
                3d
                   -2 :               0.00000455131239
                   -1 :              -0.00000811909361
                   +0 :               0.00001796307131
                   +1 :              -0.00001707824397
                   +2 :              -0.00001137884761
              8 vec=   -12.966938      1.013967      4.091257   |vec|=   13.634808
                1s
                   +0 :               0.00000546954525
                2s
                   +0 :               0.00025851454097
                3s
                   +0 :               0.00018672363850
                2p
                   -1 :              -0.00030279990360
                   +0 :               0.00004170975717
                   +1 :              -0.00013394744869
                3p
                   -1 :               0.00021834451328
                   +0 :               0.00006813698687
                   +1 :              -0.00038575206900
                3d
                   -2 :              -0.00001134368791
                   -1 :               0.00000716590703
                   +0 :              -0.00001146039976
                   +1 :              -0.00002878966455
                   +2 :               0.00005836089894
              9 vec=    -5.186775    -12.461670      4.091257   |vec|=   14.104405
                1s
                   +0 :               0.00000055126474
                2s
                   +0 :               0.00010610886692
                3s
                   +0 :               0.00006150339448
                2p
                   -1 :               0.00006524173760
                   +0 :              -0.00004507251555
                   +1 :              -0.00009424258277
                3p
                   -1 :              -0.00022026400439
                   +0 :               0.00003752940836
                   +1 :              -0.00000946238188
                3d
                   -2 :               0.00001537044676
                   -1 :              -0.00000136861372
                   +0 :              -0.00002869429775
                   +1 :              -0.00001890416935
                   +2 :              -0.00001881400252
             10 vec=   -12.966938     -7.969791      4.091257   |vec|=   15.760629
                1s
                   +0 :               0.00000555522876
                2s
                   +0 :               0.00002953234412
                3s
                   +0 :               0.00001259774136
                2p
                   -1 :               0.00005786276063
                   +0 :               0.00002613565504
                   +1 :              -0.00005976605416
                3p
                   -1 :              -0.00010055492498
                   +0 :              -0.00001815717694
                   +1 :               0.00000510438987
                3d
                   -2 :               0.00000124946979
                   -1 :               0.00000236270937
                   +0 :               0.00000203995580
                   +1 :               0.00000292467357
                   +2 :              -0.00000543003538
             11 vec=    -5.186775     14.489604      4.091257   |vec|=   15.924498
                1s
                   +0 :              -0.00005887858555
                2s
                   +0 :               0.00037233021754
                3s
                   +0 :              -0.00016220303685
                2p
                   -1 :               0.00010500787927
                   +0 :               0.00015764542019
                   +1 :              -0.00004098180728
                3p
                   -1 :              -0.00003176845188
                   +0 :              -0.00015542783435
                   +1 :               0.00002950741307
                3d
                   -2 :               0.00000734217144
                   -1 :              -0.00002226259149
                   +0 :              -0.00000977561414
                   +1 :               0.00001170994013
                   +2 :              -0.00000014193768
             12 vec=    10.373550    -12.461670      4.091257   |vec|=   16.722504
                1s
                   +0 :               0.00002303397721
                2s
                   +0 :              -0.00015235469821
                3s
                   +0 :               0.00007877178911
                2p
                   -1 :               0.00004854142649
                   +0 :              -0.00005594309749
                   +1 :               0.00001171448318
                3p
                   -1 :              -0.00002187412302
                   +0 :               0.00003231473323
                   +1 :               0.00000624534718
                3d
                   -2 :              -0.00000004025141
                   -1 :               0.00000052969224
                   +0 :              -0.00000200455629
                   +1 :               0.00000236552220
                   +2 :              -0.00000372410697
             13 vec=   -12.966938      9.997725      4.091257   |vec|=   16.877036
                1s
                   +0 :              -0.00000988820166
                2s
                   +0 :               0.00007908863272
                3s
                   +0 :              -0.00001991266131
                2p
                   -1 :               0.00005468185666
                   +0 :              -0.00006968331794
                   +1 :               0.00001137322533
                3p
                   -1 :              -0.00002706723890
                   +0 :               0.00005172041344
                   +1 :              -0.00004438606378
                3d
                   -2 :              -0.00000802590869
                   -1 :               0.00000917253531
                   +0 :               0.00000025296202
                   +1 :              -0.00000450440947
                   +2 :               0.00000614924603
             14 vec=     2.593388    -16.953549      4.091257   |vec|=   17.631984
                1s
                   +0 :              -0.00000402756622
                2s
                   +0 :               0.00003683423089
                3s
                   +0 :              -0.00000859283439
                2p
                   -1 :              -0.00002897731786
                   +0 :              -0.00001263560740
                   +1 :              -0.00004154402854
                3p
                   -1 :               0.00000983008624
                   +0 :               0.00000540051753
                   +1 :               0.00002032438174
                3d
                   -2 :               0.00000545930695
                   -1 :               0.00000053471158
                   +0 :              -0.00000005841275
                   +1 :              -0.00000032934084
                   +2 :               0.00000111484716
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 22)  npairs=  14
              1 vec=     0.209805     -0.362794     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00025416144901
                2s
                   +0 :              -0.00010176791581
                3s
                   +0 :               0.00101839413855
                2p
                   -1 :              -0.00007088475672
                   +0 :               0.00255822745792
                   +1 :              -0.00071258348275
                3p
                   -1 :              -0.00009618460301
                   +0 :              -0.00288723341616
                   +1 :               0.00040899028543
                3d
                   -2 :               0.00006302823994
                   -1 :               0.00008810061729
                   +0 :               0.00063612342968
                   +1 :               0.00017950948769
                   +2 :              -0.00007325079581
              2 vec=    -7.570358      4.129085     -8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00006968344439
                2s
                   +0 :              -0.00083183785192
                3s
                   +0 :               0.00017727704051
                2p
                   -1 :              -0.00077878088312
                   +0 :               0.00084808017850
                   +1 :               0.00061845419791
                3p
                   -1 :               0.00039739298064
                   +0 :              -0.00049635712851
                   +1 :              -0.00013463562434
                3d
                   -2 :              -0.00001474333012
                   -1 :              -0.00001149177281
                   +0 :               0.00004241132257
                   +1 :               0.00001559738164
                   +2 :               0.00000613467928
              3 vec=     0.209805      8.620964     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00017258560533
                2s
                   +0 :               0.00058809781582
                3s
                   +0 :              -0.00081259134570
                2p
                   -1 :              -0.00066420724258
                   +0 :              -0.00115196498261
                   +1 :              -0.00003362134275
                3p
                   -1 :               0.00015302179988
                   +0 :               0.00093350448670
                   +1 :              -0.00005518465562
                3d
                   -2 :              -0.00007579851031
                   -1 :               0.00000416058144
                   +0 :              -0.00005587939700
                   +1 :               0.00003058855213
                   +2 :              -0.00002532691042
              4 vec=    -7.570358     -4.854673     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00001704378776
                2s
                   +0 :              -0.00026636016701
                3s
                   +0 :              -0.00011997449500
                2p
                   -1 :               0.00045875064341
                   +0 :              -0.00017050071043
                   +1 :               0.00029829193842
                3p
                   -1 :               0.00005287192312
                   +0 :               0.00005505046767
                   +1 :               0.00023080183680
                3d
                   -2 :              -0.00003496265997
                   -1 :              -0.00002397150776
                   +0 :               0.00004858318552
                   +1 :              -0.00006588534517
                   +2 :              -0.00001836282749
              5 vec=     7.989968      4.129085     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00002432998425
                2s
                   +0 :               0.00099798315078
                3s
                   +0 :               0.00035241212487
                2p
                   -1 :               0.00017131619878
                   +0 :               0.00033964612076
                   +1 :              -0.00047537186658
                3p
                   -1 :              -0.00026414497590
                   +0 :              -0.00009939025646
                   +1 :               0.00077120820445
                3d
                   -2 :               0.00021978269658
                   -1 :              -0.00004350286608
                   +0 :              -0.00017008486292
                   +1 :              -0.00017582971619
                   +2 :               0.00024284386529
              6 vec=     0.209805     -9.346552     -8.182514   |vec|=   12.423993
                1s
                   +0 :               0.00004756065135
                2s
                   +0 :              -0.00058222867662
                3s
                   +0 :               0.00005062443713
                2p
                   -1 :               0.00110410991221
                   +0 :              -0.00021178552363
                   +1 :               0.00001849819179
                3p
                   -1 :              -0.00042820814745
                   +0 :               0.00036161238341
                   +1 :              -0.00003690592559
                3d
                   -2 :               0.00001906425283
                   -1 :              -0.00002598713351
                   +0 :              -0.00005492925565
                   +1 :              -0.00001458314207
                   +2 :              -0.00002728141952
              7 vec=     7.989968     -4.854673     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00006165016006
                2s
                   +0 :              -0.00089152938798
                3s
                   +0 :               0.00014036349629
                2p
                   -1 :               0.00006725863690
                   +0 :               0.00059421413156
                   +1 :              -0.00054790702849
                3p
                   -1 :               0.00014454293286
                   +0 :              -0.00052151574534
                   +1 :               0.00014251760083
                3d
                   -2 :               0.00004448706442
                   -1 :               0.00000844348040
                   +0 :               0.00001380763740
                   +1 :               0.00000176536891
                   +2 :              -0.00000750607036
              8 vec=     0.209805     -0.362794     16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00001676186066
                2s
                   +0 :              -0.00013680935070
                3s
                   +0 :               0.00006952941506
                2p
                   -1 :              -0.00000616014841
                   +0 :              -0.00001685015400
                   +1 :               0.00006757185509
                3p
                   -1 :              -0.00003598409283
                   +0 :               0.00006688130040
                   +1 :              -0.00008515245040
                3d
                   -2 :               0.00000713663871
                   -1 :              -0.00000161757840
                   +0 :               0.00001286872796
                   +1 :              -0.00000091089160
                   +2 :              -0.00000621362859
              9 vec=    -7.570358     13.112843     -8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00001884770082
                2s
                   +0 :              -0.00013053792467
                3s
                   +0 :               0.00006057248908
                2p
                   -1 :              -0.00015142763209
                   +0 :               0.00012061422035
                   +1 :               0.00007269531924
                3p
                   -1 :               0.00014848947318
                   +0 :              -0.00009461386206
                   +1 :              -0.00007437196614
                3d
                   -2 :              -0.00000802192299
                   -1 :              -0.00000044205213
                   +0 :               0.00000025894270
                   +1 :              -0.00000143269586
                   +2 :              -0.00000196200180
             10 vec=   -15.350520     -0.362794     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00000914809603
                2s
                   +0 :              -0.00005733532883
                3s
                   +0 :               0.00002315133395
                2p
                   -1 :              -0.00000040817286
                   +0 :               0.00002086358104
                   +1 :               0.00012707076132
                3p
                   -1 :               0.00001647387428
                   +0 :               0.00000793739586
                   +1 :              -0.00003752668576
                3d
                   -2 :               0.00000071675200
                   -1 :              -0.00000230808819
                   +0 :               0.00000296064087
                   +1 :              -0.00000033704187
                   +2 :               0.00000415025491
             11 vec=     7.989968     13.112843     -8.182514   |vec|=   17.399419
                1s
                   +0 :              -0.00000856574744
                2s
                   +0 :               0.00005988134251
                3s
                   +0 :              -0.00003117869662
                2p
                   -1 :               0.00005390837268
                   +0 :               0.00006675011766
                   +1 :              -0.00006626337821
                3p
                   -1 :              -0.00004245468832
                   +0 :              -0.00000340950211
                   +1 :              -0.00001146351256
                3d
                   -2 :              -0.00000936635644
                   -1 :               0.00000653501991
                   +0 :               0.00000303293096
                   +1 :               0.00000314497435
                   +2 :              -0.00000149181742
             12 vec=    -7.570358    -13.838431     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000167074682
                2s
                   +0 :               0.00000485616113
                3s
                   +0 :              -0.00000931643704
                2p
                   -1 :               0.00001644455378
                   +0 :               0.00003008890548
                   +1 :               0.00001760920085
                3p
                   -1 :               0.00000024140592
                   +0 :               0.00000206875570
                   +1 :               0.00000125075576
                3d
                   -2 :               0.00000068758442
                   -1 :              -0.00000295725938
                   +0 :              -0.00000530464191
                   +1 :              -0.00000228113235
                   +2 :              -0.00000414305546
             13 vec=    15.770130     -0.362794     -8.182514   |vec|=   17.770261
                1s
                   +0 :              -0.00001081392815
                2s
                   +0 :               0.00010872179231
                3s
                   +0 :              -0.00003691760137
                2p
                   -1 :              -0.00023179951582
                   +0 :               0.00003493391559
                   +1 :               0.00003677729619
                3p
                   -1 :               0.00009905535665
                   +0 :               0.00002317526910
                   +1 :              -0.00006682157517
                3d
                   -2 :              -0.00000136013470
                   -1 :               0.00000256195962
                   +0 :              -0.00000133713261
                   +1 :               0.00000390467494
                   +2 :              -0.00000442655141
             14 vec=     7.989968    -13.838431     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000094378284
                2s
                   +0 :              -0.00004944764465
                3s
                   +0 :               0.00000412663094
                2p
                   -1 :               0.00000844767711
                   +0 :               0.00006407772452
                   +1 :              -0.00005688598545
                3p
                   -1 :              -0.00000099410310
                   +0 :              -0.00004893574857
                   +1 :               0.00003528738133
                3d
                   -2 :              -0.00000166865693
                   -1 :               0.00000143248816
                   +0 :              -0.00000113276702
                   +1 :              -0.00000051201575
                   +2 :              -0.00000156954905
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 23)  npairs=  15
              1 vec=     4.976970     -0.362794     -8.182514   |vec|=    9.584122
                1s
                   +0 :               0.00029318492360
                2s
                   +0 :              -0.00309940231136
                3s
                   +0 :               0.00013284550519
                2p
                   -1 :               0.00305463651702
                   +0 :               0.00183461493177
                   +1 :              -0.00034255214721
                3p
                   -1 :              -0.00114725546335
                   +0 :               0.00014376718273
                   +1 :              -0.00054992426672
                3d
                   -2 :              -0.00004818138712
                   -1 :              -0.00000506921598
                   +0 :               0.00007800116977
                   +1 :               0.00003088878417
                   +2 :               0.00015148767874
              2 vec=    -2.803193      4.129085     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00023487107745
                2s
                   +0 :              -0.00211697609061
                3s
                   +0 :               0.00012977401824
                2p
                   -1 :              -0.00247069771051
                   +0 :               0.00313111402159
                   +1 :              -0.00019142797191
                3p
                   -1 :              -0.00011605377616
                   +0 :              -0.00014858974235
                   +1 :              -0.00054605527835
                3d
                   -2 :              -0.00000566301482
                   -1 :               0.00032320024873
                   +0 :              -0.00016475905932
                   +1 :               0.00014045677254
                   +2 :               0.00005503276168
              3 vec=    -2.803193     -4.854673     -8.182514   |vec|=    9.918633
                1s
                   +0 :               0.00020480334384
                2s
                   +0 :              -0.00131725638911
                3s
                   +0 :              -0.00009021616628
                2p
                   -1 :               0.00069583731781
                   +0 :               0.00000302879201
                   +1 :               0.00167114061245
                3p
                   -1 :               0.00004083581079
                   +0 :               0.00133471489309
                   +1 :              -0.00039671890295
                3d
                   -2 :               0.00015830456648
                   -1 :               0.00022503774857
                   +0 :              -0.00008662612480
                   +1 :              -0.00008048732834
                   +2 :              -0.00010460215882
              4 vec=     4.976970      8.620964     -8.182514   |vec|=   12.885837
                1s
                   +0 :               0.00009561293183
                2s
                   +0 :              -0.00088216613470
                3s
                   +0 :               0.00034208301110
                2p
                   -1 :              -0.00067725060706
                   +0 :              -0.00016088280827
                   +1 :              -0.00020803151968
                3p
                   -1 :               0.00054714959113
                   +0 :              -0.00002200020363
                   +1 :              -0.00010153466432
                3d
                   -2 :               0.00000840576633
                   -1 :              -0.00005322792315
                   +0 :               0.00001298375202
                   +1 :              -0.00001153249166
                   +2 :              -0.00004091871131
              5 vec=     4.976970     -9.346552     -8.182514   |vec|=   13.382145
                1s
                   +0 :               0.00002240654685
                2s
                   +0 :              -0.00023215629710
                3s
                   +0 :               0.00001621995389
                2p
                   -1 :               0.00024094243080
                   +0 :               0.00002256846442
                   +1 :               0.00056804115977
                3p
                   -1 :              -0.00017764853247
                   +0 :               0.00001994577517
                   +1 :              -0.00051438308124
                3d
                   -2 :               0.00003459625852
                   -1 :               0.00002061202200
                   +0 :              -0.00004473817478
                   +1 :               0.00000028460570
                   +2 :              -0.00003803798592
              6 vec=   -10.583355     -0.362794     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00001671520382
                2s
                   +0 :              -0.00027638282028
                3s
                   +0 :               0.00002316524008
                2p
                   -1 :               0.00003090112250
                   +0 :               0.00005889351524
                   +1 :               0.00014572913212
                3p
                   -1 :              -0.00004544577972
                   +0 :              -0.00004495011845
                   +1 :               0.00002857463111
                3d
                   -2 :               0.00000487716204
                   -1 :               0.00001685328735
                   +0 :               0.00000801600137
                   +1 :               0.00000329656625
                   +2 :              -0.00000908217865
              7 vec=    12.757133      4.129085     -8.182514   |vec|=   15.708193
                1s
                   +0 :              -0.00011001571827
                2s
                   +0 :               0.00095157223027
                3s
                   +0 :              -0.00017701401241
                2p
                   -1 :               0.00020544552812
                   +0 :               0.00035867662914
                   +1 :               0.00024069823168
                3p
                   -1 :              -0.00023407768272
                   +0 :              -0.00014703399017
                   +1 :               0.00012875397458
                3d
                   -2 :              -0.00002471448591
                   -1 :              -0.00000930948923
                   +0 :              -0.00002630522343
                   +1 :               0.00001816461720
                   +2 :               0.00003953948249
              8 vec=    -2.803193     13.112843     -8.182514   |vec|=   15.708535
                1s
                   +0 :              -0.00002965178803
                2s
                   +0 :               0.00015957259978
                3s
                   +0 :              -0.00020074552417
                2p
                   -1 :               0.00009068402229
                   +0 :              -0.00031525024361
                   +1 :              -0.00006353963000
                3p
                   -1 :              -0.00022458172889
                   +0 :               0.00029025639693
                   +1 :               0.00015304400827
                3d
                   -2 :               0.00002129035156
                   -1 :               0.00004811603462
                   +0 :               0.00000129072316
                   +1 :               0.00000531819234
                   +2 :               0.00002712512287
              9 vec=    12.757133     -4.854673     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00000530027788
                2s
                   +0 :              -0.00010712965540
                3s
                   +0 :              -0.00001780663308
                2p
                   -1 :              -0.00008224830709
                   +0 :               0.00007808741290
                   +1 :              -0.00016221334823
                3p
                   -1 :               0.00002930714506
                   +0 :              -0.00004088748507
                   +1 :               0.00002876404303
                3d
                   -2 :               0.00000500122139
                   -1 :               0.00000371983152
                   +0 :              -0.00000987919890
                   +1 :              -0.00000831715393
                   +2 :              -0.00000646881142
             10 vec=   -10.583355      8.620964     -8.182514   |vec|=   15.914835
                1s
                   +0 :              -0.00000501162135
                2s
                   +0 :               0.00000568323605
                3s
                   +0 :              -0.00002969755649
                2p
                   -1 :              -0.00007417138013
                   +0 :               0.00001920430411
                   +1 :              -0.00005773403524
                3p
                   -1 :              -0.00001212113674
                   +0 :              -0.00003247358279
                   +1 :               0.00007346579007
                3d
                   -2 :               0.00000899736814
                   -1 :               0.00000302716403
                   +0 :               0.00000698823004
                   +1 :               0.00000055192016
                   +2 :              -0.00000373255672
             11 vec=    -2.803193    -13.838431     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00001529473675
                2s
                   +0 :               0.00006375367222
                3s
                   +0 :              -0.00009040800351
                2p
                   -1 :              -0.00017607556637
                   +0 :              -0.00003563091632
                   +1 :               0.00002020898056
                3p
                   -1 :               0.00015988539597
                   +0 :               0.00007368729063
                   +1 :              -0.00001434957181
                3d
                   -2 :              -0.00000211760307
                   -1 :              -0.00002005826582
                   +0 :               0.00000879262802
                   +1 :               0.00000156635665
                   +2 :               0.00002088910451
             12 vec=   -10.583355     -9.346552     -8.182514   |vec|=   16.319283
                1s
                   +0 :               0.00000095224843
                2s
                   +0 :              -0.00004848344442
                3s
                   +0 :              -0.00002123000273
                2p
                   -1 :               0.00014657609267
                   +0 :              -0.00000946632825
                   +1 :               0.00004153094069
                3p
                   -1 :              -0.00002584888708
                   +0 :               0.00002497653563
                   +1 :              -0.00000487931949
                3d
                   -2 :              -0.00000344381012
                   -1 :              -0.00000720389011
                   +0 :              -0.00000250279546
                   +1 :              -0.00000067989311
                   +2 :               0.00000598136109
             13 vec=     4.976970     -0.362794     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00001242589918
                2s
                   +0 :               0.00009915472869
                3s
                   +0 :              -0.00002665348787
                2p
                   -1 :               0.00014671339734
                   +0 :               0.00021915543255
                   +1 :              -0.00007317902118
                3p
                   -1 :              -0.00005680603406
                   +0 :              -0.00008401060661
                   +1 :               0.00002331788132
                3d
                   -2 :               0.00000261169725
                   -1 :              -0.00000119105031
                   +0 :              -0.00000518329779
                   +1 :              -0.00001002773875
                   +2 :              -0.00000397649747
             14 vec=    -2.803193      4.129085     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00003239973247
                2s
                   +0 :               0.00020805270836
                3s
                   +0 :              -0.00008149103719
                2p
                   -1 :               0.00018272304444
                   +0 :               0.00028007515487
                   +1 :              -0.00014709632809
                3p
                   -1 :              -0.00012413333830
                   +0 :              -0.00014553447479
                   +1 :               0.00006674333140
                3d
                   -2 :              -0.00000173501168
                   -1 :              -0.00000682398052
                   +0 :              -0.00000146868641
                   +1 :              -0.00000349700091
                   +2 :               0.00000385362605
             15 vec=    -2.803193     -4.854673     16.365028   |vec|=   17.298552
                1s
                   +0 :              -0.00000655742930
                2s
                   +0 :               0.00007931341238
                3s
                   +0 :               0.00001208176920
                2p
                   -1 :              -0.00000711712791
                   +0 :               0.00012992635335
                   +1 :               0.00004708175827
                3p
                   -1 :              -0.00005096453282
                   +0 :               0.00000024876002
                   +1 :               0.00001090058026
                3d
                   -2 :              -0.00000312431067
                   -1 :              -0.00000826683478
                   +0 :               0.00000227867916
                   +1 :               0.00000605331326
                   +2 :              -0.00000081980059
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 24)  npairs=  15
              1 vec=     2.593388     -4.491280     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00017776450657
                2s
                   +0 :              -0.00158440972633
                3s
                   +0 :              -0.00012142566464
                2p
                   -1 :              -0.00097149481670
                   +0 :               0.00026821403653
                   +1 :              -0.00218385135627
                3p
                   -1 :               0.00105408023240
                   +0 :               0.00125961800322
                   +1 :               0.00045901525781
                3d
                   -2 :              -0.00006016420028
                   -1 :              -0.00005294013325
                   +0 :              -0.00005534452457
                   +1 :               0.00020072698579
                   +2 :              -0.00000162515634
              2 vec=    -5.186775      0.000599     -8.182514   |vec|=    9.687940
                1s
                   +0 :               0.00048592490172
                2s
                   +0 :              -0.00459400863824
                3s
                   +0 :               0.00070614287143
                2p
                   -1 :               0.00205752822455
                   +0 :               0.00530849265209
                   +1 :               0.00290064911358
                3p
                   -1 :              -0.00075036293776
                   +0 :              -0.00072964552455
                   +1 :              -0.00041916720791
                3d
                   -2 :              -0.00011654898538
                   -1 :              -0.00016492895325
                   +0 :              -0.00012641841672
                   +1 :              -0.00007747224889
                   +2 :               0.00013773760413
              3 vec=     2.593388      4.492478     -8.182514   |vec|=    9.688217
                1s
                   +0 :               0.00040619879425
                2s
                   +0 :              -0.00347073118863
                3s
                   +0 :               0.00067813246744
                2p
                   -1 :              -0.00135705550524
                   +0 :               0.00164365174008
                   +1 :               0.00103221629116
                3p
                   -1 :              -0.00007984923600
                   +0 :              -0.00051506098175
                   +1 :              -0.00032238228758
                3d
                   -2 :               0.00015115500853
                   -1 :               0.00013792370706
                   +0 :               0.00005703512435
                   +1 :              -0.00015939960048
                   +2 :               0.00003284677085
              4 vec=    -5.186775     -8.983159     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00000521550205
                2s
                   +0 :              -0.00015669448000
                3s
                   +0 :               0.00004269874535
                2p
                   -1 :              -0.00007683044957
                   +0 :              -0.00007682152158
                   +1 :              -0.00004029688915
                3p
                   -1 :               0.00005037006873
                   +0 :               0.00004304479254
                   +1 :               0.00000494466653
                3d
                   -2 :              -0.00002906284421
                   -1 :              -0.00001251053531
                   +0 :               0.00001908803033
                   +1 :              -0.00001324606594
                   +2 :               0.00001439776013
              5 vec=    10.373550      0.000599     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00001207901091
                2s
                   +0 :              -0.00007852178508
                3s
                   +0 :              -0.00009685538921
                2p
                   -1 :              -0.00036773235723
                   +0 :              -0.00019790162092
                   +1 :              -0.00033586596690
                3p
                   -1 :               0.00014692492798
                   +0 :               0.00030364877319
                   +1 :               0.00008102388097
                3d
                   -2 :               0.00001485876373
                   -1 :              -0.00002651242081
                   +0 :              -0.00001545226273
                   +1 :               0.00001551615650
                   +2 :               0.00000105132631
              6 vec=    -5.186775      8.984357     -8.182514   |vec|=   13.212677
                1s
                   +0 :               0.00004589838207
                2s
                   +0 :              -0.00029136753314
                3s
                   +0 :               0.00017183978634
                2p
                   -1 :               0.00018969979993
                   +0 :              -0.00017836663270
                   +1 :               0.00045205545729
                3p
                   -1 :              -0.00008676368157
                   +0 :               0.00008885740530
                   +1 :              -0.00035908193978
                3d
                   -2 :              -0.00004360958705
                   -1 :              -0.00003356430343
                   +0 :              -0.00003762968987
                   +1 :               0.00001509039330
                   +2 :               0.00006497064032
              7 vec=     2.593388    -13.475038     -8.182514   |vec|=   15.976728
                1s
                   +0 :              -0.00001243597733
                2s
                   +0 :               0.00002871499799
                3s
                   +0 :              -0.00005613259738
                2p
                   -1 :               0.00016618829560
                   +0 :               0.00004531613614
                   +1 :              -0.00017814250685
                3p
                   -1 :              -0.00005072101084
                   +0 :              -0.00003585791242
                   +1 :               0.00008035476529
                3d
                   -2 :               0.00000058755966
                   -1 :               0.00000362392709
                   +0 :               0.00000588750669
                   +1 :              -0.00000454269930
                   +2 :               0.00000431408231
              8 vec=    10.373550     -8.983159     -8.182514   |vec|=   15.976897
                1s
                   +0 :               0.00002952498400
                2s
                   +0 :              -0.00027038255643
                3s
                   +0 :               0.00007346406287
                2p
                   -1 :               0.00019270032369
                   +0 :               0.00006883101621
                   +1 :              -0.00025445945267
                3p
                   -1 :              -0.00003951260071
                   +0 :              -0.00003820225031
                   +1 :               0.00012594354431
                3d
                   -2 :               0.00000158019978
                   -1 :               0.00000442850035
                   +0 :               0.00000388448482
                   +1 :              -0.00000582719948
                   +2 :               0.00001332525326
              9 vec=   -12.966938     -4.491280     -8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00002525182116
                2s
                   +0 :               0.00016121481844
                3s
                   +0 :              -0.00011212923670
                2p
                   -1 :              -0.00001212077841
                   +0 :              -0.00014525002909
                   +1 :              -0.00002745812604
                3p
                   -1 :               0.00001138798460
                   +0 :               0.00011489845893
                   +1 :               0.00006592234404
                3d
                   -2 :               0.00000633020156
                   -1 :               0.00000442944086
                   +0 :              -0.00001048520987
                   +1 :              -0.00001287238041
                   +2 :              -0.00000494944014
             10 vec=   -12.966938      4.492478     -8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00000909071585
                2s
                   +0 :              -0.00011007788323
                3s
                   +0 :               0.00002193815386
                2p
                   -1 :               0.00005056420369
                   +0 :              -0.00003321875127
                   +1 :               0.00002298029830
                3p
                   -1 :              -0.00006837676754
                   +0 :               0.00009112348477
                   +1 :              -0.00003556690562
                3d
                   -2 :              -0.00000238635290
                   -1 :               0.00001006763703
                   +0 :              -0.00001358097307
                   +1 :              -0.00000624298277
                   +2 :               0.00001006830408
             11 vec=    10.373550      8.984357     -8.182514   |vec|=   15.977570
                1s
                   +0 :              -0.00009101472109
                2s
                   +0 :               0.00070978055051
                3s
                   +0 :              -0.00017598473593
                2p
                   -1 :               0.00027031241458
                   +0 :               0.00019110746716
                   +1 :               0.00012983346397
                3p
                   -1 :              -0.00000902077203
                   +0 :              -0.00010731763675
                   +1 :              -0.00008089660018
                3d
                   -2 :               0.00001373798489
                   -1 :               0.00000240608444
                   +0 :              -0.00001751294030
                   +1 :              -0.00001800340446
                   +2 :              -0.00001690552724
             12 vec=     2.593388     13.476236     -8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00000210684137
                2s
                   +0 :              -0.00006319179046
                3s
                   +0 :              -0.00005712794623
                2p
                   -1 :               0.00008245178047
                   +0 :              -0.00003315779090
                   +1 :              -0.00008488854413
                3p
                   -1 :              -0.00016941860134
                   +0 :               0.00003830451672
                   +1 :              -0.00001071806773
                3d
                   -2 :              -0.00000592647129
                   -1 :               0.00001440608514
                   +0 :               0.00002731291748
                   +1 :               0.00001393039647
                   +2 :               0.00000909469167
             13 vec=     2.593388     -4.491280     16.365028   |vec|=   17.167161
                1s
                   +0 :              -0.00001185368068
                2s
                   +0 :               0.00008889845435
                3s
                   +0 :              -0.00000765566458
                2p
                   -1 :              -0.00003069988698
                   +0 :               0.00007723721830
                   +1 :              -0.00004567530625
                3p
                   -1 :              -0.00000751781043
                   +0 :               0.00005739821406
                   +1 :               0.00000204391951
                3d
                   -2 :              -0.00000033629229
                   -1 :               0.00000110842315
                   +0 :               0.00000507724477
                   +1 :              -0.00000682330010
                   +2 :               0.00000314603275
             14 vec=    -5.186775      0.000599     16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00003600330912
                2s
                   +0 :               0.00024552949411
                3s
                   +0 :              -0.00009307301727
                2p
                   -1 :              -0.00000003328617
                   +0 :               0.00014603551966
                   +1 :               0.00009308549818
                3p
                   -1 :               0.00004239952186
                   +0 :              -0.00005243265398
                   +1 :              -0.00008845387635
                3d
                   -2 :              -0.00000757657270
                   -1 :               0.00000837651071
                   +0 :              -0.00000921717546
                   +1 :              -0.00000353541822
                   +2 :               0.00000431339717
             15 vec=     2.593388      4.492478     16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00000944230271
                2s
                   +0 :              -0.00002858675618
                3s
                   +0 :               0.00005222668318
                2p
                   -1 :              -0.00018418451122
                   +0 :               0.00013214201905
                   +1 :               0.00009781012824
                3p
                   -1 :               0.00014588026580
                   +0 :               0.00001567761311
                   +1 :               0.00000529247434
                3d
                   -2 :               0.00000041378472
                   -1 :               0.00000377708063
                   +0 :              -0.00000173186223
                   +1 :               0.00001006860300
                   +2 :              -0.00000299087641
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 25)  npairs=  14
              1 vec=     2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00006639907077
                2s
                   +0 :               0.00003926974174
                3s
                   +0 :              -0.00030814075380
                2p
                   -1 :               0.00004718707308
                   +0 :              -0.00037947177349
                   +1 :               0.00054038644725
                3p
                   -1 :              -0.00010040778543
                   +0 :               0.00044041264974
                   +1 :              -0.00046118403188
                3d
                   -2 :              -0.00000462910807
                   -1 :              -0.00000524773088
                   +0 :               0.00000336860332
                   +1 :               0.00002713056634
                   +2 :               0.00000643976930
              2 vec=     2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00005422317957
                2s
                   +0 :               0.00020394541528
                3s
                   +0 :               0.00017308708386
                2p
                   -1 :               0.00013245347141
                   +0 :               0.00014564330402
                   +1 :              -0.00075028758343
                3p
                   -1 :              -0.00017499587780
                   +0 :              -0.00008913650785
                   +1 :               0.00041523783081
                3d
                   -2 :              -0.00003381358993
                   -1 :              -0.00000335847933
                   +0 :              -0.00002152652442
                   +1 :               0.00000512380328
                   +2 :               0.00002594194191
              3 vec=    -5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00011800745318
                2s
                   +0 :              -0.00132584311868
                3s
                   +0 :               0.00016622241635
                2p
                   -1 :               0.00043593418638
                   +0 :               0.00069655771473
                   +1 :               0.00032693425749
                3p
                   -1 :               0.00007545601484
                   +0 :               0.00019082791863
                   +1 :              -0.00000372587268
                3d
                   -2 :              -0.00002794296799
                   -1 :              -0.00007400779637
                   +0 :              -0.00004828183185
                   +1 :              -0.00002237163974
                   +2 :               0.00002117350980
              4 vec=    -5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00013323356393
                2s
                   +0 :               0.00162857738887
                3s
                   +0 :              -0.00014869017929
                2p
                   -1 :              -0.00062835303125
                   +0 :               0.00102932986588
                   +1 :              -0.00051376507062
                3p
                   -1 :               0.00030066072883
                   +0 :               0.00003711644197
                   +1 :               0.00028917797475
                3d
                   -2 :              -0.00000081340941
                   -1 :              -0.00001964552884
                   +0 :               0.00008543980786
                   +1 :              -0.00000870019733
                   +2 :              -0.00002897297758
              5 vec=     2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00006958562617
                2s
                   +0 :              -0.00059819181500
                3s
                   +0 :               0.00016752648986
                2p
                   -1 :               0.00028655288947
                   +0 :               0.00013460666039
                   +1 :              -0.00009959591307
                3p
                   -1 :              -0.00008181232561
                   +0 :               0.00001228774041
                   +1 :               0.00016748426718
                3d
                   -2 :              -0.00001441232757
                   -1 :               0.00000832845277
                   +0 :               0.00001142660228
                   +1 :              -0.00002173282702
                   +2 :               0.00000087092365
              6 vec=     2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00006684093425
                2s
                   +0 :               0.00078639932648
                3s
                   +0 :              -0.00012313658207
                2p
                   -1 :              -0.00041306403288
                   +0 :               0.00043666377551
                   +1 :              -0.00038182747441
                3p
                   -1 :               0.00006726805280
                   +0 :              -0.00013412678106
                   +1 :               0.00013171405319
                3d
                   -2 :               0.00000585605016
                   -1 :              -0.00001419425040
                   +0 :              -0.00000200048796
                   +1 :              -0.00001066672090
                   +2 :              -0.00000615028657
              7 vec=    -5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004175376717
                2s
                   +0 :              -0.00061447454497
                3s
                   +0 :               0.00003104992671
                2p
                   -1 :               0.00006665195618
                   +0 :              -0.00000966828545
                   +1 :               0.00028225489708
                3p
                   -1 :              -0.00013354943915
                   +0 :               0.00024214797125
                   +1 :               0.00000503221226
                3d
                   -2 :               0.00000649024226
                   -1 :               0.00000177211319
                   +0 :              -0.00001555939646
                   +1 :              -0.00001810659042
                   +2 :              -0.00001287412486
              8 vec=    -5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00003491264644
                2s
                   +0 :               0.00043924510096
                3s
                   +0 :              -0.00012304209345
                2p
                   -1 :              -0.00006443105321
                   +0 :               0.00030990086381
                   +1 :              -0.00019019580478
                3p
                   -1 :               0.00000171769926
                   +0 :              -0.00021050355800
                   +1 :              -0.00007396195651
                3d
                   -2 :               0.00000105533011
                   -1 :              -0.00000068490262
                   +0 :              -0.00002205408384
                   +1 :              -0.00002727771894
                   +2 :               0.00000573420718
              9 vec=    10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000128909634
                2s
                   +0 :              -0.00009756857938
                3s
                   +0 :              -0.00001731375854
                2p
                   -1 :               0.00011894298253
                   +0 :              -0.00005411913695
                   +1 :              -0.00014666791131
                3p
                   -1 :              -0.00011463152060
                   +0 :               0.00008466640179
                   +1 :               0.00003626715556
                3d
                   -2 :              -0.00001140015516
                   -1 :               0.00000592696309
                   +0 :              -0.00000457884787
                   +1 :               0.00000214706793
                   +2 :              -0.00000381754392
             10 vec=    10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000105055819
                2s
                   +0 :               0.00001287313072
                3s
                   +0 :               0.00000329132652
                2p
                   -1 :              -0.00007947650840
                   +0 :               0.00007129811226
                   +1 :               0.00008941579173
                3p
                   -1 :               0.00004395691182
                   +0 :              -0.00003316444429
                   +1 :              -0.00001762489489
                3d
                   -2 :               0.00000332176642
                   -1 :               0.00000480534424
                   +0 :              -0.00000424564953
                   +1 :              -0.00000170109425
                   +2 :               0.00000113680446
             11 vec=     2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00002995066361
                2s
                   +0 :              -0.00032824538877
                3s
                   +0 :               0.00004895258116
                2p
                   -1 :              -0.00020602492356
                   +0 :               0.00017810197510
                   +1 :              -0.00006090177502
                3p
                   -1 :               0.00004909771833
                   +0 :              -0.00005855178589
                   +1 :               0.00000319303533
                3d
                   -2 :              -0.00000612788085
                   -1 :               0.00000630669431
                   +0 :              -0.00001991895619
                   +1 :              -0.00000241382787
                   +2 :               0.00000261746192
             12 vec=     2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00000509521283
                2s
                   +0 :               0.00003823654699
                3s
                   +0 :               0.00001245397101
                2p
                   -1 :               0.00000003268814
                   +0 :              -0.00004945303845
                   +1 :               0.00013264747982
                3p
                   -1 :               0.00006612821018
                   +0 :               0.00009770397844
                   +1 :              -0.00007612242177
                3d
                   -2 :               0.00001368524726
                   -1 :               0.00000742434239
                   +0 :               0.00002004538372
                   +1 :               0.00000221398761
                   +2 :               0.00000138622721
             13 vec=    10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00010187984296
                2s
                   +0 :               0.00089692400998
                3s
                   +0 :              -0.00018375156593
                2p
                   -1 :              -0.00001808983246
                   +0 :              -0.00043492111334
                   +1 :              -0.00008999760728
                3p
                   -1 :               0.00006575892739
                   +0 :               0.00008626490831
                   +1 :               0.00004087169078
                3d
                   -2 :               0.00000676970859
                   -1 :              -0.00001803123179
                   +0 :               0.00003179415346
                   +1 :              -0.00001080828247
                   +2 :              -0.00000107157543
             14 vec=    10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000381220330
                2s
                   +0 :               0.00002104929420
                3s
                   +0 :               0.00003736902066
                2p
                   -1 :               0.00006722875242
                   +0 :              -0.00011269848203
                   +1 :               0.00005284725976
                3p
                   -1 :               0.00001868957664
                   +0 :               0.00008180995745
                   +1 :               0.00003819025236
                3d
                   -2 :               0.00000946214838
                   -1 :               0.00000325458269
                   +0 :               0.00000212422341
                   +1 :               0.00001218939726
                   +2 :               0.00000420357134
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 26)  npairs=  14
              1 vec=    -2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003801575107
                2s
                   +0 :              -0.00080743591953
                3s
                   +0 :               0.00004215022064
                2p
                   -1 :              -0.00020694886413
                   +0 :               0.00031196036996
                   +1 :              -0.00062263193468
                3p
                   -1 :               0.00017128004934
                   +0 :              -0.00011351532330
                   +1 :               0.00040348675337
                3d
                   -2 :              -0.00001864231322
                   -1 :               0.00001136140003
                   +0 :               0.00001553467974
                   +1 :              -0.00001681387375
                   +2 :               0.00000195589107
              2 vec=    -2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00010240529570
                2s
                   +0 :              -0.00022482397651
                3s
                   +0 :               0.00041312567580
                2p
                   -1 :              -0.00013966188373
                   +0 :              -0.00070777361226
                   +1 :               0.00071311302058
                3p
                   -1 :               0.00018890609407
                   +0 :               0.00072325278096
                   +1 :              -0.00060912464787
                3d
                   -2 :              -0.00000058122345
                   -1 :               0.00000284755519
                   +0 :               0.00000040313524
                   +1 :              -0.00004451644641
                   +2 :               0.00000054327823
              3 vec=     5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00017104292346
                2s
                   +0 :              -0.00191271553096
                3s
                   +0 :               0.00024253688750
                2p
                   -1 :               0.00053289610451
                   +0 :               0.00097955976847
                   +1 :              -0.00052083337917
                3p
                   -1 :              -0.00030710369818
                   +0 :              -0.00005631624388
                   +1 :               0.00023476692926
                3d
                   -2 :               0.00000819752656
                   -1 :              -0.00001681081923
                   +0 :              -0.00008273287539
                   +1 :               0.00001639116381
                   +2 :               0.00001304516227
              4 vec=     5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00008897272784
                2s
                   +0 :               0.00135233462555
                3s
                   +0 :              -0.00009150312417
                2p
                   -1 :              -0.00017555674554
                   +0 :               0.00098196549997
                   +1 :               0.00030362016841
                3p
                   -1 :              -0.00017004704885
                   +0 :              -0.00000894111879
                   +1 :              -0.00013827069527
                3d
                   -2 :               0.00000945120175
                   -1 :              -0.00005672724095
                   +0 :               0.00002102688179
                   +1 :               0.00000144090427
                   +2 :              -0.00003554244438
              5 vec=    -2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001450840445
                2s
                   +0 :              -0.00023050964812
                3s
                   +0 :               0.00004348175229
                2p
                   -1 :               0.00032494882207
                   +0 :               0.00016180860593
                   +1 :              -0.00008304111277
                3p
                   -1 :              -0.00020699240988
                   +0 :              -0.00012685594059
                   +1 :               0.00007578066587
                3d
                   -2 :              -0.00000716455381
                   -1 :               0.00000758031196
                   +0 :               0.00001159149827
                   +1 :              -0.00000692978437
                   +2 :              -0.00001109008885
              6 vec=    -2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00006229010620
                2s
                   +0 :               0.00046319703564
                3s
                   +0 :              -0.00014288115586
                2p
                   -1 :              -0.00011225167650
                   +0 :               0.00013012056850
                   +1 :              -0.00006738975918
                3p
                   -1 :              -0.00003162623788
                   +0 :              -0.00003218787860
                   +1 :               0.00015768949672
                3d
                   -2 :              -0.00002123006820
                   -1 :              -0.00000076702858
                   +0 :              -0.00001993105259
                   +1 :               0.00003094562504
                   +2 :              -0.00000023879808
              7 vec=     5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00004360758325
                2s
                   +0 :              -0.00048763585258
                3s
                   +0 :               0.00012703983953
                2p
                   -1 :               0.00007635244419
                   +0 :               0.00039977245341
                   +1 :              -0.00018803833521
                3p
                   -1 :              -0.00003824140111
                   +0 :              -0.00027049912606
                   +1 :              -0.00005555039964
                3d
                   -2 :               0.00000616352419
                   -1 :               0.00000575077000
                   +0 :               0.00001996201586
                   +1 :               0.00001746202693
                   +2 :              -0.00000418399548
              8 vec=     5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00004640714650
                2s
                   +0 :               0.00054400342492
                3s
                   +0 :              -0.00004270202894
                2p
                   -1 :               0.00000604253589
                   +0 :              -0.00000875532336
                   +1 :               0.00030718445514
                3p
                   -1 :               0.00006111293948
                   +0 :               0.00024797721179
                   +1 :              -0.00000054287527
                3d
                   -2 :               0.00000204076993
                   -1 :               0.00000514739736
                   +0 :               0.00002367697951
                   +1 :               0.00002503163718
                   +2 :               0.00002464030793
              9 vec=   -10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000160198799
                2s
                   +0 :              -0.00001589654791
                3s
                   +0 :               0.00000661429866
                2p
                   -1 :               0.00004852170431
                   +0 :              -0.00006717396255
                   +1 :               0.00012810095278
                3p
                   -1 :              -0.00005326417913
                   +0 :               0.00005861978563
                   +1 :              -0.00006728726241
                3d
                   -2 :               0.00001030625919
                   -1 :               0.00000453380166
                   +0 :               0.00000273687277
                   +1 :              -0.00000217637798
                   +2 :               0.00000037630155
             10 vec=   -10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000098254407
                2s
                   +0 :               0.00004380259401
                3s
                   +0 :               0.00000020912536
                2p
                   -1 :              -0.00020294509843
                   +0 :              -0.00003990454740
                   +1 :              -0.00008439473984
                3p
                   -1 :               0.00016573449524
                   +0 :               0.00007903123175
                   +1 :               0.00002323694920
                3d
                   -2 :              -0.00001360719408
                   -1 :               0.00001504716031
                   +0 :               0.00000667353264
                   +1 :              -0.00000115836672
                   +2 :               0.00000635088330
             11 vec=    -2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00003438322060
                2s
                   +0 :              -0.00025200562755
                3s
                   +0 :               0.00005479164774
                2p
                   -1 :               0.00001869072148
                   +0 :               0.00009644628142
                   +1 :              -0.00007475408290
                3p
                   -1 :              -0.00009061057641
                   +0 :              -0.00003121928612
                   +1 :               0.00010719901503
                3d
                   -2 :               0.00001591258219
                   -1 :               0.00000523777496
                   +0 :              -0.00001324474887
                   +1 :              -0.00001381400118
                   +2 :               0.00000381513295
             12 vec=    -2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001720377956
                2s
                   +0 :               0.00015637828182
                3s
                   +0 :              -0.00004597938206
                2p
                   -1 :               0.00019461059729
                   +0 :               0.00010334498994
                   +1 :              -0.00000083195501
                3p
                   -1 :              -0.00009172313449
                   +0 :              -0.00003710390043
                   +1 :              -0.00002555888951
                3d
                   -2 :               0.00000006680185
                   -1 :              -0.00000245775422
                   +0 :               0.00001565926246
                   +1 :              -0.00000322059536
                   +2 :              -0.00000095897974
             13 vec=   -10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001151233938
                2s
                   +0 :              -0.00015217467272
                3s
                   +0 :               0.00000709489649
                2p
                   -1 :              -0.00004797868773
                   +0 :               0.00003911930206
                   +1 :               0.00006991260824
                3p
                   -1 :               0.00000599188336
                   +0 :               0.00002225038189
                   +1 :               0.00003299093631
                3d
                   -2 :               0.00000470417232
                   -1 :               0.00000345604814
                   +0 :              -0.00000458736118
                   +1 :              -0.00001021262440
                   +2 :               0.00000104277572
             14 vec=   -10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000647756256
                2s
                   +0 :               0.00009218530955
                3s
                   +0 :              -0.00001851911016
                2p
                   -1 :               0.00008421355554
                   +0 :               0.00001609294897
                   +1 :              -0.00016332520334
                3p
                   -1 :              -0.00004502174911
                   +0 :              -0.00001078425652
                   +1 :               0.00007636238889
                3d
                   -2 :              -0.00000369136038
                   -1 :              -0.00000760046272
                   +0 :              -0.00000113037049
                   +1 :               0.00000625045038
                   +2 :              -0.00000600631497
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 27)  npairs=  18
              1 vec=     0.000000     -3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00000251994845
                2s
                   +0 :              -0.00038802125265
                3s
                   +0 :              -0.00008102973093
                2p
                   -1 :              -0.00037296247165
                   +0 :               0.00017038856692
                   +1 :              -0.00008494719918
                3p
                   -1 :               0.00039582334311
                   +0 :               0.00000735203779
                   +1 :               0.00003345311244
                3d
                   -2 :              -0.00002065390673
                   -1 :              -0.00003821042728
                   +0 :               0.00000992062515
                   +1 :              -0.00000795155676
                   +2 :               0.00001427841191
              2 vec=     0.000000     -3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00006966532750
                2s
                   +0 :              -0.00014916146471
                3s
                   +0 :               0.00022569720262
                2p
                   -1 :               0.00048210535508
                   +0 :               0.00009050173729
                   +1 :               0.00003972498177
                3p
                   -1 :              -0.00038434464056
                   +0 :              -0.00005018121211
                   +1 :              -0.00006600696065
                3d
                   -2 :              -0.00003262581545
                   -1 :              -0.00003234446401
                   +0 :              -0.00001737479418
                   +1 :               0.00002087225609
                   +2 :              -0.00002820487210
              3 vec=     0.000000      5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :               0.00015318247352
                2s
                   +0 :              -0.00177352313319
                3s
                   +0 :               0.00023891360212
                2p
                   -1 :              -0.00018220909192
                   +0 :               0.00080629922220
                   +1 :               0.00000317597407
                3p
                   -1 :              -0.00000562216090
                   +0 :               0.00004424667936
                   +1 :              -0.00007179654969
                3d
                   -2 :               0.00000325505715
                   -1 :               0.00001352233991
                   +0 :              -0.00002375296998
                   +1 :               0.00000997162561
                   +2 :              -0.00002733363035
              4 vec=     0.000000      5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00011438995906
                2s
                   +0 :               0.00138648788233
                3s
                   +0 :              -0.00018417882605
                2p
                   -1 :              -0.00001823734183
                   +0 :               0.00084605450439
                   +1 :               0.00014281196895
                3p
                   -1 :               0.00014075827528
                   +0 :              -0.00000088906405
                   +1 :              -0.00014533179993
                3d
                   -2 :               0.00000806664533
                   -1 :               0.00001148477693
                   +0 :               0.00000224757345
                   +1 :              -0.00001891737371
                   +2 :               0.00002842961042
              5 vec=    -7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00004475213531
                2s
                   +0 :              -0.00084115922338
                3s
                   +0 :               0.00009508198164
                2p
                   -1 :              -0.00032268673792
                   +0 :               0.00070624424252
                   +1 :               0.00057440110697
                3p
                   -1 :               0.00011013341453
                   +0 :              -0.00018034969876
                   +1 :              -0.00023407338471
                3d
                   -2 :               0.00001517058723
                   -1 :               0.00001688444121
                   +0 :              -0.00000947222480
                   +1 :              -0.00001190617543
                   +2 :               0.00000019364219
              6 vec=    -7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00005677652056
                2s
                   +0 :               0.00055934643606
                3s
                   +0 :              -0.00012699099299
                2p
                   -1 :               0.00049933605149
                   +0 :               0.00029856318393
                   +1 :              -0.00010301136973
                3p
                   -1 :              -0.00018164083701
                   +0 :              -0.00004122094047
                   +1 :              -0.00007847549325
                3d
                   -2 :              -0.00002118251817
                   -1 :               0.00001458793046
                   +0 :              -0.00001533369301
                   +1 :              -0.00002303886006
                   +2 :               0.00000745225515
              7 vec=     7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005501052315
                2s
                   +0 :              -0.00046892718260
                3s
                   +0 :               0.00014770781147
                2p
                   -1 :              -0.00037942690267
                   +0 :               0.00021484297996
                   +1 :              -0.00007740460676
                3p
                   -1 :               0.00011040987624
                   +0 :              -0.00005697700530
                   +1 :              -0.00011735666113
                3d
                   -2 :              -0.00000749287026
                   -1 :               0.00000739206201
                   +0 :               0.00001125308395
                   +1 :               0.00001671378608
                   +2 :              -0.00000156679086
              8 vec=     7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00010031762548
                2s
                   +0 :               0.00152182846109
                3s
                   +0 :              -0.00016683941080
                2p
                   -1 :               0.00042131736295
                   +0 :               0.00109731929829
                   +1 :               0.00063606713345
                3p
                   -1 :               0.00001364705531
                   +0 :              -0.00016618540320
                   +1 :              -0.00008882901680
                3d
                   -2 :               0.00004526967866
                   -1 :               0.00003266794160
                   +0 :               0.00002422645445
                   +1 :               0.00003427001090
                   +2 :               0.00000942124629
              9 vec=    -7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00000564545424
                2s
                   +0 :              -0.00004921289860
                3s
                   +0 :               0.00002856903384
                2p
                   -1 :              -0.00003176516086
                   +0 :              -0.00002936113392
                   +1 :              -0.00002873867692
                3p
                   -1 :               0.00007546271854
                   +0 :               0.00003014736542
                   +1 :               0.00003772087098
                3d
                   -2 :               0.00000666853098
                   -1 :               0.00000225836907
                   +0 :              -0.00000222020939
                   +1 :               0.00000634184477
                   +2 :               0.00000178303639
             10 vec=    -7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000340515175
                2s
                   +0 :               0.00006940073876
                3s
                   +0 :               0.00000011486092
                2p
                   -1 :               0.00012135802536
                   +0 :               0.00005288512575
                   +1 :              -0.00011414465880
                3p
                   -1 :              -0.00016241404762
                   +0 :              -0.00002181609140
                   +1 :               0.00006558683139
                3d
                   -2 :               0.00001023587922
                   -1 :              -0.00001263555849
                   +0 :              -0.00000102018109
                   +1 :               0.00000636032753
                   +2 :              -0.00000825815045
             11 vec=     7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002012070290
                2s
                   +0 :              -0.00020269225801
                3s
                   +0 :               0.00004611824707
                2p
                   -1 :              -0.00005681106568
                   +0 :               0.00010225840337
                   +1 :              -0.00009301409757
                3p
                   -1 :               0.00011542197529
                   +0 :              -0.00007091414161
                   +1 :               0.00004622172952
                3d
                   -2 :               0.00001016155042
                   -1 :              -0.00000649168233
                   +0 :               0.00000569702117
                   +1 :              -0.00000617200546
                   +2 :               0.00000915707292
             12 vec=     7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00001490655971
                2s
                   +0 :               0.00012498952468
                3s
                   +0 :              -0.00005648922230
                2p
                   -1 :              -0.00008475048568
                   +0 :               0.00004274373416
                   +1 :               0.00008946715329
                3p
                   -1 :              -0.00000322481282
                   +0 :              -0.00003004446686
                   +1 :              -0.00000001328708
                3d
                   -2 :               0.00000220750292
                   -1 :              -0.00000071596491
                   +0 :              -0.00000155908556
                   +1 :              -0.00000368116318
                   +2 :               0.00000044646500
             13 vec=     0.000000    -12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00001590116305
                2s
                   +0 :              -0.00013865329265
                3s
                   +0 :               0.00003909841571
                2p
                   -1 :               0.00009815004757
                   +0 :               0.00010593411317
                   +1 :               0.00011016092493
                3p
                   -1 :              -0.00004013604322
                   +0 :              -0.00005268074757
                   +1 :              -0.00007033463993
                3d
                   -2 :               0.00000407967329
                   -1 :               0.00000132258748
                   +0 :              -0.00000399011775
                   +1 :              -0.00000010713920
                   +2 :               0.00000381640574
             14 vec=     0.000000    -12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00002059714140
                2s
                   +0 :               0.00018222402229
                3s
                   +0 :              -0.00005579480974
                2p
                   -1 :              -0.00013705774579
                   +0 :               0.00008119418926
                   +1 :               0.00004218434415
                3p
                   -1 :               0.00004249683213
                   +0 :              -0.00004839641294
                   +1 :              -0.00004858188908
                3d
                   -2 :               0.00000624025731
                   -1 :               0.00000327078696
                   +0 :               0.00000101680441
                   +1 :              -0.00000208553276
                   +2 :              -0.00000315755624
             15 vec=    -7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000050498517
                2s
                   +0 :              -0.00003888263572
                3s
                   +0 :              -0.00000732931367
                2p
                   -1 :              -0.00016694806240
                   +0 :              -0.00003714357865
                   +1 :               0.00007658569062
                3p
                   -1 :               0.00008225089733
                   +0 :               0.00001021413789
                   +1 :              -0.00005778939919
                3d
                   -2 :              -0.00000412636528
                   -1 :               0.00000388480369
                   +0 :               0.00000459556457
                   +1 :               0.00000384343583
                   +2 :               0.00000504738619
             16 vec=    -7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00000864698047
                2s
                   +0 :               0.00008514821980
                3s
                   +0 :              -0.00003704756183
                2p
                   -1 :               0.00000031460889
                   +0 :               0.00001398404687
                   +1 :              -0.00007153551295
                3p
                   -1 :               0.00001725532760
                   +0 :              -0.00001622476196
                   +1 :               0.00007714447847
                3d
                   -2 :               0.00000778911719
                   -1 :              -0.00000299879832
                   +0 :               0.00000458393648
                   +1 :               0.00001002145509
                   +2 :              -0.00000577097291
             17 vec=     7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000479228419
                2s
                   +0 :              -0.00000492203804
                3s
                   +0 :               0.00004360937596
                2p
                   -1 :               0.00006009119345
                   +0 :               0.00003792355415
                   +1 :              -0.00012801683955
                3p
                   -1 :              -0.00002292885486
                   +0 :              -0.00002105645796
                   +1 :               0.00007097615599
                3d
                   -2 :               0.00000740695865
                   -1 :              -0.00000565866186
                   +0 :              -0.00000463824546
                   +1 :              -0.00001401949477
                   +2 :               0.00000384664203
             18 vec=     7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001564599869
                2s
                   +0 :               0.00010562916576
                3s
                   +0 :              -0.00005393146257
                2p
                   -1 :               0.00014880434455
                   +0 :               0.00002577117055
                   +1 :               0.00002201986273
                3p
                   -1 :              -0.00008440097421
                   +0 :              -0.00004214522410
                   +1 :              -0.00002825195503
                3d
                   -2 :               0.00000051316960
                   -1 :              -0.00000609656978
                   +0 :              -0.00000546169992
                   +1 :              -0.00000022240244
                   +2 :               0.00000072979716
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 28)  npairs=  12
              1 vec=    -2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00030194879830
                2s
                   +0 :               0.00363786009376
                3s
                   +0 :              -0.00043670080316
                2p
                   -1 :              -0.00034424770339
                   +0 :              -0.01052858499579
                   +1 :               0.00185602688551
                3p
                   -1 :               0.00196541687035
                   +0 :              -0.00331975534945
                   +1 :              -0.00271574131387
                3d
                   -2 :              -0.00033618320329
                   -1 :              -0.00167762063148
                   +0 :               0.00006535561365
                   +1 :               0.00112418815892
                   +2 :              -0.00020257225283
              2 vec=    -2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00155634424980
                2s
                   +0 :               0.00897002417972
                3s
                   +0 :              -0.00422692329286
                2p
                   -1 :              -0.00886769620614
                   +0 :              -0.00623024139238
                   +1 :               0.00035739858892
                3p
                   -1 :               0.00638627443786
                   +0 :               0.00148627646308
                   +1 :              -0.00055911644768
                3d
                   -2 :              -0.00008581046836
                   -1 :               0.00092908462808
                   +0 :               0.00043619775277
                   +1 :               0.00011496565652
                   +2 :               0.00038839034344
              3 vec=     5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00177314965467
                2s
                   +0 :              -0.01147997166332
                3s
                   +0 :               0.00509476188731
                2p
                   -1 :              -0.00000271067160
                   +0 :              -0.00087834636637
                   +1 :              -0.00733313328359
                3p
                   -1 :               0.00002836813375
                   +0 :              -0.00320942870717
                   +1 :               0.00437163386129
                3d
                   -2 :               0.00027068169406
                   -1 :              -0.00019753488512
                   +0 :              -0.00027309383429
                   +1 :              -0.00058668461685
                   +2 :               0.00014647842546
              4 vec=   -10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00003879527242
                2s
                   +0 :               0.00051217814619
                3s
                   +0 :               0.00021214743356
                2p
                   -1 :               0.00004613234473
                   +0 :               0.00013382621100
                   +1 :              -0.00155185012281
                3p
                   -1 :              -0.00004174824360
                   +0 :              -0.00057724087691
                   +1 :               0.00070009465558
                3d
                   -2 :               0.00006170856628
                   -1 :               0.00005864859043
                   +0 :               0.00010657846154
                   +1 :               0.00011046671107
                   +2 :              -0.00001141319245
              5 vec=     5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00002086213978
                2s
                   +0 :              -0.00060396326068
                3s
                   +0 :              -0.00004319611665
                2p
                   -1 :              -0.00137064633830
                   +0 :              -0.00051960331848
                   +1 :               0.00031455227160
                3p
                   -1 :               0.00085916509467
                   +0 :              -0.00002795943820
                   +1 :              -0.00042884287789
                3d
                   -2 :               0.00001832353718
                   -1 :              -0.00003957064888
                   +0 :               0.00002315005523
                   +1 :              -0.00001342581793
                   +2 :              -0.00008118842194
              6 vec=     5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00016441435104
                2s
                   +0 :               0.00071529099123
                3s
                   +0 :              -0.00049165681047
                2p
                   -1 :              -0.00066435644459
                   +0 :               0.00017970394715
                   +1 :               0.00043217709598
                3p
                   -1 :               0.00071133284059
                   +0 :              -0.00050031747923
                   +1 :              -0.00040665656433
                3d
                   -2 :               0.00007049889082
                   -1 :               0.00002297273532
                   +0 :               0.00001934428918
                   +1 :              -0.00004000423369
                   +2 :               0.00000200401823
              7 vec=   -10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00006036073027
                2s
                   +0 :               0.00041661773368
                3s
                   +0 :              -0.00018712088433
                2p
                   -1 :               0.00014086752826
                   +0 :              -0.00015044568888
                   +1 :              -0.00047300835791
                3p
                   -1 :              -0.00010639541146
                   +0 :               0.00004033749158
                   +1 :               0.00033935176041
                3d
                   -2 :               0.00001224618920
                   -1 :               0.00000627854048
                   +0 :              -0.00001686856021
                   +1 :              -0.00000553181335
                   +2 :              -0.00001670531058
              8 vec=    -2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00003874194690
                2s
                   +0 :               0.00023956393836
                3s
                   +0 :              -0.00013732795975
                2p
                   -1 :              -0.00008407962916
                   +0 :              -0.00033554363547
                   +1 :               0.00022136180302
                3p
                   -1 :               0.00006204625059
                   +0 :               0.00024683087514
                   +1 :              -0.00012996121611
                3d
                   -2 :               0.00000606450975
                   -1 :              -0.00001133345464
                   +0 :               0.00001118079171
                   +1 :              -0.00000733661121
                   +2 :               0.00001022008934
              9 vec=   -10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00001520838707
                2s
                   +0 :               0.00011633965420
                3s
                   +0 :              -0.00002875289788
                2p
                   -1 :               0.00013248953096
                   +0 :               0.00012216608931
                   +1 :              -0.00013631408646
                3p
                   -1 :              -0.00014697631948
                   +0 :              -0.00012294785090
                   +1 :               0.00010652878122
                3d
                   -2 :              -0.00000048536335
                   -1 :               0.00000731709075
                   +0 :              -0.00001879308775
                   +1 :              -0.00000621993305
                   +2 :              -0.00001619981623
             10 vec=    13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00005609554672
                2s
                   +0 :              -0.00038195688210
                3s
                   +0 :               0.00012999790069
                2p
                   -1 :              -0.00022572725696
                   +0 :               0.00014544712830
                   +1 :              -0.00034545858248
                3p
                   -1 :               0.00011968433404
                   +0 :              -0.00013057086404
                   +1 :               0.00020669237922
                3d
                   -2 :              -0.00001203707178
                   -1 :               0.00000328612443
                   +0 :              -0.00000335405255
                   +1 :              -0.00000244003698
                   +2 :               0.00000516368727
             11 vec=    -2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00001036848603
                2s
                   +0 :               0.00001648177377
                3s
                   +0 :              -0.00001027215634
                2p
                   -1 :              -0.00001831883742
                   +0 :               0.00004806112372
                   +1 :               0.00003137226274
                3p
                   -1 :               0.00003686263861
                   +0 :              -0.00008085491095
                   +1 :               0.00000446584574
                3d
                   -2 :              -0.00000055430943
                   -1 :               0.00000239877869
                   +0 :              -0.00000396468343
                   +1 :              -0.00000797376277
                   +2 :              -0.00000901845549
             12 vec=    13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00001184885378
                2s
                   +0 :               0.00003269591602
                3s
                   +0 :              -0.00009522928569
                2p
                   -1 :               0.00020244535168
                   +0 :              -0.00006010907221
                   +1 :               0.00028783176198
                3p
                   -1 :              -0.00010537689530
                   +0 :               0.00003427074586
                   +1 :              -0.00025903551663
                3d
                   -2 :               0.00000099604509
                   -1 :              -0.00001572858269
                   +0 :               0.00002265362637
                   +1 :              -0.00000531575136
                   +2 :              -0.00001011567161
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 29)  npairs=  12
              1 vec=     2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00027839841935
                2s
                   +0 :              -0.00293721867592
                3s
                   +0 :               0.00047233687385
                2p
                   -1 :               0.00130830531056
                   +0 :              -0.01019673034608
                   +1 :               0.00207153292482
                3p
                   -1 :              -0.00217672227910
                   +0 :              -0.00359403400906
                   +1 :              -0.00249351859869
                3d
                   -2 :              -0.00033879529283
                   -1 :              -0.00167449307830
                   +0 :              -0.00006758046285
                   +1 :              -0.00110911440493
                   +2 :               0.00016589102248
              2 vec=    -5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00189227786726
                2s
                   +0 :               0.01249851938681
                3s
                   +0 :              -0.00542160871872
                2p
                   -1 :               0.00007148431009
                   +0 :              -0.00033428491024
                   +1 :              -0.00823543735260
                3p
                   -1 :              -0.00008649912771
                   +0 :              -0.00361270991452
                   +1 :               0.00453965712242
                3d
                   -2 :               0.00030188133722
                   -1 :              -0.00023145902307
                   +0 :               0.00024511435080
                   +1 :               0.00062879172632
                   +2 :              -0.00014049448904
              3 vec=     2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00153670040367
                2s
                   +0 :              -0.00857563702373
                3s
                   +0 :               0.00421511502389
                2p
                   -1 :               0.00828182059630
                   +0 :              -0.00661115181611
                   +1 :               0.00029867540698
                3p
                   -1 :              -0.00619683956370
                   +0 :               0.00173868616372
                   +1 :              -0.00043736109625
                3d
                   -2 :              -0.00011132018019
                   -1 :               0.00092856061191
                   +0 :              -0.00043894112332
                   +1 :              -0.00009465037078
                   +2 :              -0.00037362185542
              4 vec=    -5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00001644529121
                2s
                   +0 :               0.00024907689788
                3s
                   +0 :               0.00009186934370
                2p
                   -1 :               0.00126867613540
                   +0 :              -0.00057966139432
                   +1 :               0.00014922751858
                3p
                   -1 :              -0.00078684613628
                   +0 :               0.00002766571939
                   +1 :              -0.00035704188594
                3d
                   -2 :               0.00001546886484
                   -1 :              -0.00002191566194
                   +0 :              -0.00003704239028
                   +1 :               0.00001267845993
                   +2 :               0.00008295785494
              5 vec=    10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00000672293168
                2s
                   +0 :              -0.00086753362332
                3s
                   +0 :              -0.00015824803460
                2p
                   -1 :              -0.00006843460463
                   +0 :               0.00007304599515
                   +1 :              -0.00144438579074
                3p
                   -1 :               0.00009938242997
                   +0 :              -0.00052252898576
                   +1 :               0.00063212286442
                3d
                   -2 :               0.00007543119073
                   -1 :               0.00005138926964
                   +0 :              -0.00011780457956
                   +1 :              -0.00011510877141
                   +2 :               0.00000771816707
              6 vec=    -5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00018649949658
                2s
                   +0 :              -0.00087826429458
                3s
                   +0 :               0.00055335835994
                2p
                   -1 :               0.00064582801943
                   +0 :               0.00013482065540
                   +1 :               0.00046587887515
                3p
                   -1 :              -0.00072948769634
                   +0 :              -0.00045235779645
                   +1 :              -0.00043641507073
                3d
                   -2 :               0.00007360502161
                   -1 :               0.00002629828891
                   +0 :              -0.00002084866434
                   +1 :               0.00004156040577
                   +2 :              -0.00000216696277
              7 vec=     2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00003234421868
                2s
                   +0 :              -0.00022552976575
                3s
                   +0 :               0.00009983238419
                2p
                   -1 :               0.00014180202606
                   +0 :              -0.00042671458871
                   +1 :               0.00033966409426
                3p
                   -1 :              -0.00010007172957
                   +0 :               0.00029275822686
                   +1 :              -0.00021223223305
                3d
                   -2 :               0.00000468871843
                   -1 :              -0.00000592555972
                   +0 :              -0.00000845282689
                   +1 :               0.00001185487616
                   +2 :              -0.00000915798302
              8 vec=    10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00006437653452
                2s
                   +0 :              -0.00046577493108
                3s
                   +0 :               0.00018891836212
                2p
                   -1 :              -0.00017886996970
                   +0 :              -0.00009198026323
                   +1 :              -0.00049791667243
                3p
                   -1 :               0.00012322043988
                   +0 :               0.00001633833128
                   +1 :               0.00031986142262
                3d
                   -2 :               0.00001094839547
                   -1 :               0.00000763529132
                   +0 :               0.00001494610382
                   +1 :               0.00000318740583
                   +2 :               0.00001336697884
              9 vec=   -13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005292866232
                2s
                   +0 :               0.00033909987810
                3s
                   +0 :              -0.00013067750399
                2p
                   -1 :               0.00016742442093
                   +0 :               0.00014294231478
                   +1 :              -0.00029945060468
                3p
                   -1 :              -0.00008958552601
                   +0 :              -0.00015670673606
                   +1 :               0.00020525599868
                3d
                   -2 :              -0.00000725409686
                   -1 :               0.00000461520583
                   +0 :               0.00000203272039
                   +1 :               0.00000544026672
                   +2 :              -0.00000887974200
             10 vec=    10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00000958112321
                2s
                   +0 :              -0.00009086369025
                3s
                   +0 :               0.00001577454461
                2p
                   -1 :              -0.00009766195821
                   +0 :               0.00018254489756
                   +1 :              -0.00011286518060
                3p
                   -1 :               0.00010365591248
                   +0 :              -0.00015029843203
                   +1 :               0.00009054908456
                3d
                   -2 :              -0.00000036038190
                   -1 :               0.00000584511822
                   +0 :               0.00001878940201
                   +1 :               0.00000559544139
                   +2 :               0.00001553339128
             11 vec=   -13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00003222610783
                2s
                   +0 :              -0.00018907137614
                3s
                   +0 :               0.00014588417854
                2p
                   -1 :              -0.00017478221606
                   +0 :              -0.00005714362632
                   +1 :               0.00031748342255
                3p
                   -1 :               0.00011048542282
                   +0 :               0.00002857546875
                   +1 :              -0.00026552712509
                3d
                   -2 :              -0.00000194923963
                   -1 :              -0.00001279500344
                   +0 :              -0.00002427999899
                   +1 :               0.00000361021677
                   +2 :               0.00001160839089
             12 vec=     2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00000638862963
                2s
                   +0 :              -0.00000310861960
                3s
                   +0 :              -0.00000150476519
                2p
                   -1 :               0.00003964534560
                   +0 :               0.00005376755229
                   +1 :               0.00007196016370
                3p
                   -1 :              -0.00005155208117
                   +0 :              -0.00008440327534
                   +1 :              -0.00003764331235
                3d
                   -2 :              -0.00000042029481
                   -1 :               0.00000100915674
                   +0 :               0.00000438843824
                   +1 :               0.00000608100264
                   +2 :               0.00000860309334
WF             site_B          number of pairs
WF( 58)=[O_18_2pz]  to site O ( 30)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :              -0.00025793390704
                2s
                   +0 :               0.00284390432559
                3s
                   +0 :              -0.00045244398341
                2p
                   -1 :              -0.00061196475823
                   +0 :               0.87591172266175
                   +1 :              -0.03375047562752
                3p
                   -1 :               0.00022849165364
                   +0 :              -0.04009531623769
                   +1 :               0.01369631358823
                3d
                   -2 :              -0.00223730374175
                   -1 :               0.00436368780174
                   +0 :               0.00008073182102
                   +1 :              -0.00008231831330
                   +2 :               0.00002586697956
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00025862693335
                2s
                   +0 :               0.00196624474221
                3s
                   +0 :              -0.00114170655178
                2p
                   -1 :              -0.00105917810216
                   +0 :               0.00060781605890
                   +1 :              -0.00175611964535
                3p
                   -1 :               0.00077971753698
                   +0 :              -0.00046382383833
                   +1 :               0.00181097142369
                3d
                   -2 :              -0.00018565320502
                   -1 :               0.00012308986198
                   +0 :               0.00002719017224
                   +1 :               0.00009016514998
                   +2 :              -0.00011757471552
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00007198584785
                2s
                   +0 :              -0.00024351837634
                3s
                   +0 :               0.00028564893956
                2p
                   -1 :              -0.00006085579011
                   +0 :              -0.00030720977293
                   +1 :               0.00084768202047
                3p
                   -1 :               0.00012000750081
                   +0 :               0.00038361753419
                   +1 :              -0.00086766347186
                3d
                   -2 :               0.00008390988377
                   -1 :               0.00000056113720
                   +0 :               0.00001199348266
                   +1 :              -0.00011746570862
                   +2 :               0.00001820201590
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00001533393773
                2s
                   +0 :              -0.00012808354739
                3s
                   +0 :               0.00003504723599
                2p
                   -1 :               0.00002700009964
                   +0 :               0.00066749428456
                   +1 :               0.00008225073505
                3p
                   -1 :              -0.00002050559240
                   +0 :              -0.00037871386468
                   +1 :               0.00010067521678
                3d
                   -2 :              -0.00002889833025
                   -1 :              -0.00003020853414
                   +0 :              -0.00000767407136
                   +1 :              -0.00000373584879
                   +2 :              -0.00000114348700
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000176609333
                2s
                   +0 :              -0.00000529691258
                3s
                   +0 :              -0.00001446615020
                2p
                   -1 :              -0.00000727479322
                   +0 :              -0.00022421129063
                   +1 :              -0.00163626376853
                3p
                   -1 :               0.00005464768755
                   +0 :               0.00057224834436
                   +1 :               0.00177719679216
                3d
                   -2 :               0.00006229648589
                   -1 :               0.00019434918895
                   +0 :              -0.00000641832216
                   +1 :              -0.00000188578942
                   +2 :              -0.00000509965207
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00027609819150
                2s
                   +0 :              -0.00203949255760
                3s
                   +0 :               0.00118534200202
                2p
                   -1 :               0.00118669088090
                   +0 :               0.00065737413265
                   +1 :              -0.00157958793787
                3p
                   -1 :              -0.00091008975977
                   +0 :              -0.00055821492521
                   +1 :               0.00169378260999
                3d
                   -2 :              -0.00019057918221
                   -1 :               0.00014365914916
                   +0 :              -0.00002031931131
                   +1 :              -0.00008921438253
                   +2 :               0.00010617635225
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000683423480
                2s
                   +0 :              -0.00041527998123
                3s
                   +0 :              -0.00011591333399
                2p
                   -1 :               0.00008628501666
                   +0 :              -0.00025091217781
                   +1 :               0.00066378702580
                3p
                   -1 :              -0.00015713492196
                   +0 :               0.00033525272812
                   +1 :              -0.00081045410441
                3d
                   -2 :               0.00008695828221
                   -1 :               0.00000905677457
                   +0 :              -0.00000489291283
                   +1 :               0.00010800922581
                   +2 :              -0.00002336916898
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00002331955422
                2s
                   +0 :               0.00022517691637
                3s
                   +0 :              -0.00001717444834
                2p
                   -1 :               0.00006087315441
                   +0 :              -0.00011158867968
                   +1 :              -0.00002062660427
                3p
                   -1 :              -0.00003882961387
                   +0 :               0.00004554537314
                   +1 :              -0.00013722182706
                3d
                   -2 :               0.00000435540430
                   -1 :               0.00000219876417
                   +0 :              -0.00001309696299
                   +1 :              -0.00000339007397
                   +2 :               0.00002874158851
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00003754381510
                2s
                   +0 :               0.00025356903399
                3s
                   +0 :              -0.00008346247117
                2p
                   -1 :              -0.00006918117974
                   +0 :               0.00011587873450
                   +1 :               0.00001026107892
                3p
                   -1 :              -0.00000025008951
                   +0 :              -0.00010859581890
                   +1 :              -0.00004431330795
                3d
                   -2 :               0.00000572210923
                   -1 :               0.00000982687384
                   +0 :              -0.00001154854763
                   +1 :               0.00000032906968
                   +2 :              -0.00000033167794
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00001147402105
                2s
                   +0 :               0.00011516517053
                3s
                   +0 :              -0.00001108029266
                2p
                   -1 :              -0.00014779803019
                   +0 :               0.00002326678800
                   +1 :               0.00007630341252
                3p
                   -1 :               0.00021690534221
                   +0 :              -0.00003514433507
                   +1 :              -0.00009661629700
                3d
                   -2 :              -0.00001573996507
                   -1 :              -0.00000091409852
                   +0 :              -0.00001112933285
                   +1 :              -0.00001161963906
                   +2 :              -0.00000663328635
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003301069517
                2s
                   +0 :              -0.00022235828752
                3s
                   +0 :               0.00007564286402
                2p
                   -1 :               0.00004362298982
                   +0 :               0.00009434749973
                   +1 :              -0.00001181869458
                3p
                   -1 :               0.00001685799405
                   +0 :              -0.00010431693984
                   +1 :              -0.00000893628696
                3d
                   -2 :               0.00000358748440
                   -1 :               0.00000912570448
                   +0 :               0.00001141206819
                   +1 :              -0.00000085382528
                   +2 :               0.00000229277820
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00001673840030
                2s
                   +0 :              -0.00016093642349
                3s
                   +0 :               0.00002097536735
                2p
                   -1 :               0.00017679121549
                   +0 :               0.00004083377646
                   +1 :               0.00006440099042
                3p
                   -1 :              -0.00024096307391
                   +0 :              -0.00003589862702
                   +1 :              -0.00009803759153
                3d
                   -2 :              -0.00001586147564
                   -1 :              -0.00000052470997
                   +0 :               0.00001264255113
                   +1 :               0.00001496161648
                   +2 :               0.00000569364548
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00002385873541
                2s
                   +0 :              -0.00021771542249
                3s
                   +0 :               0.00001668267364
                2p
                   -1 :              -0.00006233893039
                   +0 :              -0.00009005657220
                   +1 :              -0.00000976874539
                3p
                   -1 :               0.00002237291374
                   +0 :               0.00003250963494
                   +1 :              -0.00014147769994
                3d
                   -2 :               0.00000319178296
                   -1 :               0.00000291374564
                   +0 :               0.00001273279482
                   +1 :               0.00000490546156
                   +2 :              -0.00002917323794
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000726509499
                2s
                   +0 :               0.00007645795994
                3s
                   +0 :              -0.00001582692792
                2p
                   -1 :              -0.00001132368352
                   +0 :               0.00002227242803
                   +1 :              -0.00001008414259
                3p
                   -1 :              -0.00000386488482
                   +0 :              -0.00000690628979
                   +1 :              -0.00001419656662
                3d
                   -2 :               0.00000228123953
                   -1 :               0.00000082551768
                   +0 :               0.00000089758970
                   +1 :              -0.00000087730712
                   +2 :               0.00000244529997
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000277520785
                2s
                   +0 :              -0.00000334207076
                3s
                   +0 :               0.00001194150659
                2p
                   -1 :               0.00000650226240
                   +0 :              -0.00000975449856
                   +1 :              -0.00001485255965
                3p
                   -1 :               0.00000695857659
                   +0 :              -0.00000527746662
                   +1 :               0.00000422844109
                3d
                   -2 :              -0.00000300379983
                   -1 :               0.00000107991874
                   +0 :              -0.00000359593452
                   +1 :               0.00000246014187
                   +2 :               0.00000065792061
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000072968813
                2s
                   +0 :               0.00000177385368
                3s
                   +0 :              -0.00000431516543
                2p
                   -1 :              -0.00000784658506
                   +0 :               0.00004066480158
                   +1 :              -0.00002872798901
                3p
                   -1 :               0.00000796644477
                   +0 :              -0.00004613025340
                   +1 :               0.00002093573432
                3d
                   -2 :              -0.00000196523470
                   -1 :               0.00000618299210
                   +0 :               0.00000042850004
                   +1 :               0.00000101710434
                   +2 :               0.00000022451556
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000263672551
                2s
                   +0 :              -0.00003096421411
                3s
                   +0 :               0.00000317858746
                2p
                   -1 :              -0.00000717296279
                   +0 :               0.00000887860670
                   +1 :               0.00001501976906
                3p
                   -1 :              -0.00000254607226
                   +0 :              -0.00002324771672
                   +1 :              -0.00001360504945
                3d
                   -2 :              -0.00000408241052
                   -1 :              -0.00000093924689
                   +0 :               0.00000012492031
                   +1 :              -0.00000051537290
                   +2 :               0.00000033927837
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000410980572
                2s
                   +0 :              -0.00005895113178
                3s
                   +0 :               0.00000428130933
                2p
                   -1 :               0.00000762122182
                   +0 :              -0.00002476836966
                   +1 :              -0.00000103532421
                3p
                   -1 :               0.00001025102666
                   +0 :               0.00000728744410
                   +1 :              -0.00001655832567
                3d
                   -2 :               0.00000385574735
                   -1 :              -0.00000118529816
                   +0 :              -0.00000133981147
                   +1 :              -0.00000046581427
                   +2 :              -0.00000233315793
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000836286295
                2s
                   +0 :               0.00004770628007
                3s
                   +0 :              -0.00002634321212
                2p
                   -1 :               0.00001959882606
                   +0 :               0.00003643457119
                   +1 :              -0.00001011548913
                3p
                   -1 :              -0.00002503099287
                   +0 :              -0.00001631661214
                   +1 :              -0.00000230995645
                3d
                   -2 :              -0.00000337321235
                   -1 :               0.00000031323657
                   +0 :               0.00000334945851
                   +1 :              -0.00000197235262
                   +2 :              -0.00000001419390
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al(  1)  npairs=  14
              1 vec=    -2.593388     -1.738956     -1.580534   |vec|=    3.499674
                2s
                   +0 :              -0.03827081411549
                2p
                   -1 :               0.02224775638345
                   +0 :               0.02363697066443
                   +1 :               0.02797935443916
                3s
                   +0 :              -0.07977367859150
                4s
                   +0 :              -0.01618885549019
                3p
                   -1 :               0.05590538671874
                   +0 :               0.04407588153248
                   +1 :               0.02349690912415
                4p
                   -1 :               0.00860115261215
                   +0 :               0.01117231634584
                   +1 :               0.01882411317853
                3d
                   -2 :              -0.03485432406904
                   -1 :              -0.03506539589901
                   +0 :              -0.00512445821265
                   +1 :              -0.03529872645649
                   +2 :               0.00644410064654
              2 vec=     5.186775      2.752923     -1.580534   |vec|=    6.081062
                2s
                   +0 :              -0.00332555668265
                2p
                   -1 :              -0.00165832090700
                   +0 :               0.00165319146072
                   +1 :              -0.00148506007210
                3s
                   +0 :               0.00274441418428
                4s
                   +0 :              -0.00459816492304
                3p
                   -1 :               0.00793537401989
                   +0 :              -0.00846278584904
                   +1 :               0.00270692754623
                4p
                   -1 :              -0.00312737939446
                   +0 :               0.00311469899348
                   +1 :              -0.00124018608635
                3d
                   -2 :               0.00427309903308
                   -1 :              -0.00142081818366
                   +0 :              -0.00245846769000
                   +1 :              -0.00253022182514
                   +2 :               0.00185999213333
              3 vec=    -2.593388      7.244802     -1.580534   |vec|=    7.855629
                2s
                   +0 :              -0.00005062281637
                2p
                   -1 :               0.00021121205086
                   +0 :              -0.00070385288752
                   +1 :               0.00014170597329
                3s
                   +0 :              -0.00989647314347
                4s
                   +0 :               0.00011122296986
                3p
                   -1 :              -0.00667612957502
                   +0 :               0.00919527131509
                   +1 :              -0.00147231199220
                4p
                   -1 :              -0.00011538516101
                   +0 :              -0.00095580706296
                   +1 :              -0.00009410534812
                3d
                   -2 :              -0.00076000821124
                   -1 :               0.00394219043585
                   +0 :              -0.00022935405108
                   +1 :              -0.00031806404217
                   +2 :               0.00160689848554
              4 vec=     5.186775     -6.230835     -1.580534   |vec|=    8.259784
                2s
                   +0 :              -0.00058874920282
                2p
                   -1 :              -0.00086909572053
                   +0 :               0.00057087308180
                   +1 :              -0.00049080787739
                3s
                   +0 :               0.00506122846079
                4s
                   +0 :              -0.00143302897611
                3p
                   -1 :               0.00689886220589
                   +0 :              -0.00537123328494
                   +1 :               0.00446417612814
                4p
                   -1 :              -0.00098705267366
                   +0 :               0.00102745536809
                   +1 :              -0.00113316955562
                3d
                   -2 :               0.00229705085339
                   -1 :              -0.00138215357980
                   +0 :               0.00101791679478
                   +1 :              -0.00192433365337
                   +2 :               0.00192318329873
              5 vec=   -10.373550      2.752923     -1.580534   |vec|=   10.848374
                2s
                   +0 :               0.00048681860367
                2p
                   -1 :              -0.00025427548511
                   +0 :               0.00012882958254
                   +1 :              -0.00051746563327
                3s
                   +0 :              -0.00220979721444
                4s
                   +0 :               0.00039559164986
                3p
                   -1 :               0.00103778437754
                   +0 :              -0.00001114608154
                   +1 :               0.00253585646207
                4p
                   -1 :              -0.00033663008775
                   +0 :              -0.00002548084322
                   +1 :              -0.00046875045272
                3d
                   -2 :              -0.00036163176519
                   -1 :               0.00011067994491
                   +0 :               0.00022621631026
                   +1 :              -0.00019817641143
                   +2 :              -0.00093768879805
              6 vec=    -2.593388    -10.722714     -1.580534   |vec|=   11.144521
                2s
                   +0 :              -0.00038095675284
                2p
                   -1 :               0.00000928925430
                   +0 :              -0.00018735227272
                   +1 :               0.00010782504003
                3s
                   +0 :               0.00173915501680
                4s
                   +0 :               0.00024383873726
                3p
                   -1 :              -0.00000225260108
                   +0 :               0.00043489148062
                   +1 :              -0.00124029971586
                4p
                   -1 :              -0.00032709416427
                   +0 :              -0.00014908520675
                   +1 :               0.00003620557038
                3d
                   -2 :               0.00079754158116
                   -1 :              -0.00036156053237
                   +0 :               0.00028263584048
                   +1 :               0.00044908328529
                   +2 :               0.00020170776401
              7 vec=   -10.373550     -6.230835     -1.580534   |vec|=   12.203767
                2s
                   +0 :               0.00000263976024
                2p
                   -1 :              -0.00013580571852
                   +0 :               0.00004732390811
                   +1 :               0.00007755969884
                3s
                   +0 :              -0.00063663408464
                4s
                   +0 :               0.00000616239756
                3p
                   -1 :               0.00085838438020
                   +0 :               0.00015233305388
                   +1 :               0.00014979929207
                4p
                   -1 :              -0.00034469517637
                   +0 :               0.00010067339374
                   +1 :               0.00009513103720
                3d
                   -2 :              -0.00003449707297
                   -1 :               0.00007091535576
                   +0 :               0.00004896800727
                   +1 :              -0.00009156468595
                   +2 :              -0.00009207498742
              8 vec=     5.186775     11.736681     -1.580534   |vec|=   12.928666
                2s
                   +0 :               0.00006542784321
                2p
                   -1 :               0.00007750432634
                   +0 :              -0.00012589954091
                   +1 :              -0.00000428090604
                3s
                   +0 :               0.00085327865730
                4s
                   +0 :              -0.00002921441882
                3p
                   -1 :               0.00037403101377
                   +0 :              -0.00012336482339
                   +1 :              -0.00039497639803
                4p
                   -1 :               0.00002072805515
                   +0 :              -0.00008172962235
                   +1 :              -0.00002700230121
                3d
                   -2 :              -0.00024886014116
                   -1 :              -0.00016874468698
                   +0 :               0.00019589674670
                   +1 :               0.00017714954491
                   +2 :              -0.00010709774365
              9 vec=    12.966938     -1.738956     -1.580534   |vec|=   13.178146
                2s
                   +0 :              -0.00002470019275
                2p
                   -1 :              -0.00017202182288
                   +0 :               0.00011177071508
                   +1 :               0.00002911942659
                3s
                   +0 :               0.00247249325711
                4s
                   +0 :               0.00002359817137
                3p
                   -1 :              -0.00054048073178
                   +0 :              -0.00250278782758
                   +1 :               0.00109839782709
                4p
                   -1 :              -0.00014770327043
                   +0 :               0.00038451509014
                   +1 :               0.00012497470150
                3d
                   -2 :              -0.00041652488390
                   -1 :               0.00050651368593
                   +0 :               0.00024000305286
                   +1 :              -0.00087828849604
                   +2 :               0.00004679243692
             10 vec=    12.966938      7.244802     -1.580534   |vec|=   14.937427
                2s
                   +0 :              -0.00010758926430
                2p
                   -1 :              -0.00000730754011
                   +0 :              -0.00001190423866
                   +1 :               0.00000773175755
                3s
                   +0 :               0.00062386602202
                4s
                   +0 :              -0.00011216140994
                3p
                   -1 :               0.00003740898219
                   +0 :              -0.00010786267823
                   +1 :               0.00003536384278
                4p
                   -1 :               0.00003599148415
                   +0 :              -0.00003854131764
                   +1 :              -0.00001394625072
                3d
                   -2 :              -0.00006754506255
                   -1 :              -0.00002602593179
                   +0 :               0.00005190604999
                   +1 :               0.00006678283985
                   +2 :              -0.00000793869269
             11 vec=   -10.373550     11.736681     -1.580534   |vec|=   15.743516
                2s
                   +0 :               0.00005654007572
                2p
                   -1 :              -0.00000247075610
                   +0 :              -0.00000981757388
                   +1 :              -0.00002840918386
                3s
                   +0 :              -0.00022059669374
                4s
                   +0 :               0.00008018583688
                3p
                   -1 :              -0.00003154814111
                   +0 :               0.00008989778062
                   +1 :               0.00018655498034
                4p
                   -1 :               0.00000892573665
                   +0 :              -0.00002580585842
                   +1 :              -0.00005186056814
                3d
                   -2 :               0.00006052365748
                   -1 :              -0.00000024812061
                   +0 :               0.00003187468964
                   +1 :              -0.00000241458061
                   +2 :              -0.00004261737680
             12 vec=     5.186775    -15.214593     -1.580534   |vec|=   16.151921
                2s
                   +0 :              -0.00000430209589
                2p
                   -1 :              -0.00000701155182
                   +0 :              -0.00000295302724
                   +1 :              -0.00000258544634
                3s
                   +0 :              -0.00014728954222
                4s
                   +0 :               0.00008979957946
                3p
                   -1 :               0.00013953475034
                   +0 :               0.00006725029038
                   +1 :              -0.00009037895028
                4p
                   -1 :              -0.00009931483884
                   +0 :              -0.00003577339700
                   +1 :               0.00001527323213
                3d
                   -2 :              -0.00003306377678
                   -1 :               0.00002356629083
                   +0 :              -0.00005563733242
                   +1 :               0.00002791140398
                   +2 :              -0.00002152320277
             13 vec=    -2.593388     16.228560     -1.580534   |vec|=   16.510297
                2s
                   +0 :              -0.00002737845912
                2p
                   -1 :              -0.00000586023320
                   +0 :              -0.00000327014791
                   +1 :              -0.00000985985617
                3s
                   +0 :               0.00026820657079
                4s
                   +0 :              -0.00002243456767
                3p
                   -1 :               0.00016431100775
                   +0 :              -0.00006863185264
                   +1 :               0.00005719703436
                4p
                   -1 :              -0.00000502967530
                   +0 :              -0.00000279717508
                   +1 :              -0.00000504961981
                3d
                   -2 :               0.00002666123098
                   -1 :              -0.00005363203666
                   +0 :               0.00000727098568
                   +1 :              -0.00003126940914
                   +2 :              -0.00002205908623
             14 vec=    12.966938    -10.722714     -1.580534   |vec|=   16.900182
                2s
                   +0 :              -0.00000069133606
                2p
                   -1 :              -0.00001749141443
                   +0 :              -0.00000542049720
                   +1 :              -0.00000721152747
                3s
                   +0 :               0.00021759484556
                4s
                   +0 :              -0.00007578341881
                3p
                   -1 :               0.00003681715669
                   +0 :              -0.00009157181663
                   +1 :               0.00015129417784
                4p
                   -1 :              -0.00000483647538
                   +0 :               0.00001659860274
                   +1 :              -0.00005179549638
                3d
                   -2 :               0.00002325903370
                   -1 :              -0.00000802449439
                   +0 :               0.00000596889063
                   +1 :              -0.00005402642916
                   +2 :               0.00003504315999
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al(  2)  npairs=  14
              1 vec=    -2.593388     -1.738956      5.671791   |vec|=    6.474477
                2s
                   +0 :               0.00217402311896
                2p
                   -1 :              -0.00089386631097
                   +0 :               0.00179224855996
                   +1 :              -0.00016678993915
                3s
                   +0 :              -0.00632188768463
                4s
                   +0 :               0.00464057387635
                3p
                   -1 :               0.00423657187457
                   +0 :              -0.01279326423687
                   +1 :               0.00093039259841
                4p
                   -1 :              -0.00107865414532
                   +0 :               0.00531847674430
                   +1 :              -0.00073046042512
                3d
                   -2 :              -0.00143779573566
                   -1 :              -0.00039838445600
                   +0 :              -0.00317607379587
                   +1 :               0.00207014924504
                   +2 :              -0.00108774018505
              2 vec=     5.186775      2.752923      5.671791   |vec|=    8.163972
                2s
                   +0 :               0.00047621651679
                2p
                   -1 :               0.00049735302891
                   +0 :              -0.00017677638717
                   +1 :              -0.00022918701806
                3s
                   +0 :               0.00459397752654
                4s
                   +0 :              -0.00027942302598
                3p
                   -1 :              -0.00090246263656
                   +0 :              -0.00098462853797
                   +1 :               0.00491385043481
                4p
                   -1 :               0.00064720802876
                   +0 :              -0.00014821799741
                   +1 :              -0.00021802982683
                3d
                   -2 :               0.00134308393873
                   -1 :              -0.00091018754053
                   +0 :              -0.00196243714582
                   +1 :              -0.00043962233303
                   +2 :               0.00116020492149
              3 vec=    -2.593388      7.244802      5.671791   |vec|=    9.559395
                2s
                   +0 :              -0.00067192926305
                2p
                   -1 :              -0.00035730266845
                   +0 :              -0.00045928690623
                   +1 :               0.00075785962124
                3s
                   +0 :               0.00220386860463
                4s
                   +0 :              -0.00081079656812
                3p
                   -1 :               0.00237987633829
                   +0 :               0.00142158231764
                   +1 :              -0.00309356460310
                4p
                   -1 :              -0.00078987832468
                   +0 :              -0.00027887834050
                   +1 :               0.00050660237613
                3d
                   -2 :              -0.00042239777964
                   -1 :               0.00035051217542
                   +0 :              -0.00031730423688
                   +1 :              -0.00036068573135
                   +2 :               0.00002504507309
              4 vec=     5.186775     -6.230835      5.671791   |vec|=    9.894198
                2s
                   +0 :               0.00131315775185
                2p
                   -1 :              -0.00114322073376
                   +0 :              -0.00039182696289
                   +1 :              -0.00078252480695
                3s
                   +0 :              -0.00333759132114
                4s
                   +0 :               0.00069580776003
                3p
                   -1 :               0.00474395880317
                   +0 :               0.00288572995444
                   +1 :               0.00406299071039
                4p
                   -1 :              -0.00061269809743
                   +0 :              -0.00129994022510
                   +1 :              -0.00098324143141
                3d
                   -2 :              -0.00046287196501
                   -1 :              -0.00023910924097
                   +0 :               0.00070332128066
                   +1 :               0.00067437728339
                   +2 :               0.00075692142740
              5 vec=   -10.373550      2.752923      5.671791   |vec|=   12.139125
                2s
                   +0 :              -0.00033805901727
                2p
                   -1 :              -0.00019614542597
                   +0 :              -0.00011170798830
                   +1 :               0.00020950208909
                3s
                   +0 :               0.00080823858282
                4s
                   +0 :              -0.00040663559673
                3p
                   -1 :               0.00078314572006
                   +0 :               0.00035000647802
                   +1 :              -0.00089364131683
                4p
                   -1 :              -0.00025943375530
                   +0 :              -0.00016463543285
                   +1 :               0.00024900059313
                3d
                   -2 :              -0.00009932388467
                   -1 :               0.00015313464724
                   +0 :              -0.00007377533210
                   +1 :              -0.00011501606516
                   +2 :               0.00003377260883
              6 vec=    -2.593388    -10.722714      5.671791   |vec|=   12.404494
                2s
                   +0 :               0.00008734023660
                2p
                   -1 :              -0.00013611264572
                   +0 :               0.00006882393538
                   +1 :               0.00012348669893
                3s
                   +0 :              -0.00050379866882
                4s
                   +0 :              -0.00003767777255
                3p
                   -1 :               0.00080993861316
                   +0 :              -0.00013961785363
                   +1 :              -0.00055103729628
                4p
                   -1 :              -0.00002694256103
                   +0 :              -0.00003644762304
                   +1 :               0.00016979279072
                3d
                   -2 :              -0.00007512572452
                   -1 :               0.00015696245859
                   +0 :               0.00006146004670
                   +1 :              -0.00001529383122
                   +2 :               0.00032756975948
              7 vec=   -10.373550     -6.230835      5.671791   |vec|=   13.364246
                2s
                   +0 :              -0.00017243915045
                2p
                   -1 :               0.00004448163024
                   +0 :               0.00003720574103
                   +1 :               0.00000239146222
                3s
                   +0 :               0.00056948520080
                4s
                   +0 :              -0.00020875724933
                3p
                   -1 :              -0.00027413328616
                   +0 :              -0.00009787360975
                   +1 :              -0.00013839722919
                4p
                   -1 :               0.00009942538208
                   +0 :               0.00002292502021
                   +1 :               0.00009439489930
                3d
                   -2 :              -0.00008516303709
                   -1 :               0.00013144626582
                   +0 :              -0.00008660440030
                   +1 :              -0.00002837863618
                   +2 :               0.00000670469566
              8 vec=     5.186775     11.736681      5.671791   |vec|=   14.029310
                2s
                   +0 :              -0.00024221891191
                2p
                   -1 :               0.00006027316872
                   +0 :              -0.00005326498491
                   +1 :              -0.00012410138910
                3s
                   +0 :               0.00083570265853
                4s
                   +0 :              -0.00018659674160
                3p
                   -1 :              -0.00035146138609
                   +0 :               0.00026886464431
                   +1 :               0.00064697208840
                4p
                   -1 :               0.00014226020478
                   +0 :              -0.00008795345728
                   +1 :              -0.00012985282274
                3d
                   -2 :               0.00004392333160
                   -1 :              -0.00010934102781
                   +0 :               0.00000688397603
                   +1 :               0.00014368308314
                   +2 :               0.00012586053875
              9 vec=    12.966938     -1.738956      5.671791   |vec|=   14.259546
                2s
                   +0 :              -0.00000220362597
                2p
                   -1 :              -0.00004056684234
                   +0 :               0.00006755393657
                   +1 :               0.00012115469681
                3s
                   +0 :              -0.00001734973089
                4s
                   +0 :               0.00005408071526
                3p
                   -1 :               0.00020115390062
                   +0 :              -0.00021903532221
                   +1 :              -0.00069261515748
                4p
                   -1 :              -0.00004110769043
                   +0 :               0.00002541447314
                   +1 :               0.00018440257656
                3d
                   -2 :              -0.00001751308065
                   -1 :               0.00015443548573
                   +0 :               0.00012161827962
                   +1 :              -0.00011541728442
                   +2 :              -0.00013626847869
             10 vec=    12.966938      7.244802      5.671791   |vec|=   15.899618
                2s
                   +0 :               0.00018766257192
                2p
                   -1 :               0.00007603353336
                   +0 :               0.00003109528934
                   +1 :               0.00012936532490
                3s
                   +0 :              -0.00055415081921
                4s
                   +0 :               0.00016653810974
                3p
                   -1 :              -0.00038324394404
                   +0 :              -0.00003561566925
                   +1 :              -0.00065070491216
                4p
                   -1 :               0.00009308705581
                   +0 :              -0.00003543087165
                   +1 :               0.00013918661039
                3d
                   -2 :              -0.00015388037112
                   -1 :              -0.00001745197439
                   +0 :               0.00009060825307
                   +1 :              -0.00007469592159
                   +2 :              -0.00006436813585
             11 vec=   -10.373550     11.736681      5.671791   |vec|=   16.659215
                2s
                   +0 :              -0.00005047520802
                2p
                   -1 :              -0.00000296646101
                   +0 :               0.00000924000652
                   +1 :              -0.00000906810273
                3s
                   +0 :              -0.00000152079014
                4s
                   +0 :              -0.00003151568818
                3p
                   -1 :              -0.00001965895528
                   +0 :              -0.00007268584288
                   +1 :               0.00016374282071
                4p
                   -1 :              -0.00000884332855
                   +0 :               0.00001797365259
                   +1 :              -0.00003231805786
                3d
                   -2 :               0.00002741761270
                   -1 :              -0.00000273066460
                   +0 :               0.00001678362470
                   +1 :              -0.00000160027024
                   +2 :              -0.00001809450105
             12 vec=     5.186775    -15.214593      5.671791   |vec|=   17.045694
                2s
                   +0 :               0.00010868119016
                2p
                   -1 :              -0.00006844615137
                   +0 :               0.00003519313808
                   +1 :               0.00001971585582
                3s
                   +0 :              -0.00044363293274
                4s
                   +0 :               0.00013690108231
                3p
                   -1 :               0.00039601332755
                   +0 :              -0.00020700539971
                   +1 :              -0.00013493362325
                4p
                   -1 :              -0.00008837178740
                   +0 :               0.00004488876365
                   +1 :               0.00005977034810
                3d
                   -2 :              -0.00001101084078
                   -1 :               0.00011673557902
                   +0 :              -0.00001511696458
                   +1 :              -0.00000420818536
                   +2 :               0.00008068262139
             13 vec=    -2.593388     16.228560      5.671791   |vec|=   17.385656
                2s
                   +0 :               0.00002386482314
                2p
                   -1 :               0.00000769869869
                   +0 :              -0.00001939465384
                   +1 :              -0.00002922624757
                3s
                   +0 :              -0.00000935877529
                4s
                   +0 :              -0.00001298003772
                3p
                   -1 :               0.00000705226694
                   +0 :               0.00008181524810
                   +1 :               0.00013677764219
                4p
                   -1 :              -0.00001557017562
                   +0 :              -0.00001121742654
                   +1 :              -0.00004943225081
                3d
                   -2 :               0.00001266196852
                   -1 :               0.00000256599703
                   +0 :               0.00000379022927
                   +1 :               0.00000328683581
                   +2 :               0.00000758202000
             14 vec=    12.966938    -10.722714      5.671791   |vec|=   17.756331
                2s
                   +0 :              -0.00000184870409
                2p
                   -1 :              -0.00001453034768
                   +0 :              -0.00001553411040
                   +1 :              -0.00000827811703
                3s
                   +0 :               0.00012748828905
                4s
                   +0 :              -0.00006082852050
                3p
                   -1 :              -0.00005242581149
                   +0 :               0.00002784235105
                   +1 :               0.00005841760083
                4p
                   -1 :               0.00004337344431
                   +0 :               0.00002221968342
                   +1 :              -0.00000785746183
                3d
                   -2 :               0.00003294343065
                   -1 :               0.00003231233741
                   +0 :              -0.00000371953694
                   +1 :               0.00002384832393
                   +2 :               0.00001836744246
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Cr(  3)  npairs=  13
              1 vec=    -2.593388     -1.738956     -6.601980   |vec|=    7.303134
                3s
                   +0 :               0.00043292510341
                3p
                   -1 :              -0.00039609244009
                   +0 :               0.00142566228366
                   +1 :              -0.00059503614147
                4s
                   +0 :              -0.00163420395756
                5s
                   +0 :              -0.00027940816276
                3d
                   -2 :              -0.00052774106570
                   -1 :               0.00072790502046
                   +0 :              -0.00289860654354
                   +1 :               0.00067155624580
                   +2 :              -0.00145719651924
                4d
                   -2 :               0.00092616149434
                   -1 :               0.00007504250891
                   +0 :               0.00011256515416
                   +1 :              -0.00159427148882
                   +2 :              -0.00066701998462
                4p
                   -1 :               0.00000397372519
                   +0 :               0.00137058482283
                   +1 :               0.00171058801880
              2 vec=     5.186775      2.752923     -6.601980   |vec|=    8.835573
                3s
                   +0 :               0.00063483298782
                3p
                   -1 :              -0.00031027161232
                   +0 :               0.00023732040421
                   +1 :              -0.00045528678728
                4s
                   +0 :              -0.00822234396503
                5s
                   +0 :               0.00054939411748
                3d
                   -2 :              -0.00122314891375
                   -1 :               0.00120722750116
                   +0 :               0.00132030003821
                   +1 :               0.00116364318871
                   +2 :              -0.00152416176461
                4d
                   -2 :              -0.00112638606947
                   -1 :               0.00041665888406
                   +0 :              -0.00058913840373
                   +1 :               0.00166488120261
                   +2 :              -0.00075434774273
                4p
                   -1 :              -0.00081949716176
                   +0 :               0.00316937883519
                   +1 :              -0.00206967959088
              3 vec=    -2.593388      7.244802     -6.601980   |vec|=   10.138982
                3s
                   +0 :               0.00110446887229
                3p
                   -1 :               0.00039456467963
                   +0 :              -0.00037887122490
                   +1 :              -0.00006290363851
                4s
                   +0 :              -0.00239488812830
                5s
                   +0 :               0.00042854988021
                3d
                   -2 :              -0.00000987348388
                   -1 :              -0.00019457600290
                   +0 :               0.00013905839985
                   +1 :              -0.00021202264870
                   +2 :              -0.00002308865867
                4d
                   -2 :               0.00056760765146
                   -1 :               0.00061741098539
                   +0 :               0.00020344795720
                   +1 :              -0.00049638822324
                   +2 :               0.00004889981587
                4p
                   -1 :              -0.00059364816784
                   +0 :               0.00105684760527
                   +1 :               0.00036837674402
              4 vec=     5.186775     -6.230835     -6.601980   |vec|=   10.455242
                3s
                   +0 :               0.00122959423125
                3p
                   -1 :              -0.00037295783607
                   +0 :              -0.00000323307092
                   +1 :               0.00025360403560
                4s
                   +0 :              -0.00320609590229
                5s
                   +0 :               0.00040149106304
                3d
                   -2 :              -0.00098343971775
                   -1 :              -0.00016257178109
                   +0 :               0.00021383583874
                   +1 :               0.00032736661781
                   +2 :              -0.00007229931618
                4d
                   -2 :               0.00049176223858
                   -1 :              -0.00088989586909
                   +0 :               0.00005834908862
                   +1 :              -0.00030544156356
                   +2 :               0.00057018668416
                4p
                   -1 :               0.00092279406574
                   +0 :               0.00053682078650
                   +1 :              -0.00071028127767
              5 vec=   -10.373550      2.752923     -6.601980   |vec|=   12.600606
                3s
                   +0 :               0.00044188315426
                3p
                   -1 :               0.00019393685681
                   +0 :              -0.00015129617820
                   +1 :              -0.00031171457011
                4s
                   +0 :              -0.00025768021257
                5s
                   +0 :              -0.00001762540146
                3d
                   -2 :              -0.00050702259231
                   -1 :              -0.00028367354369
                   +0 :              -0.00025170400064
                   +1 :               0.00059892178172
                   +2 :               0.00059621100369
                4d
                   -2 :               0.00017276948557
                   -1 :               0.00006542020078
                   +0 :               0.00013360177959
                   +1 :              -0.00013327079411
                   +2 :              -0.00006874133846
                4p
                   -1 :              -0.00020727522879
                   +0 :              -0.00002799831443
                   +1 :               0.00031551589824
              6 vec=    -2.593388    -10.722714     -6.601980   |vec|=   12.856453
                3s
                   +0 :              -0.00005550800434
                3p
                   -1 :              -0.00011989512342
                   +0 :              -0.00025657551438
                   +1 :              -0.00000555720335
                4s
                   +0 :               0.00030647932516
                5s
                   +0 :               0.00003810618134
                3d
                   -2 :               0.00009759484319
                   -1 :               0.00054940307830
                   +0 :              -0.00006294343430
                   +1 :               0.00003654674209
                   +2 :              -0.00041775571741
                4d
                   -2 :              -0.00006885334167
                   -1 :              -0.00022839807887
                   +0 :              -0.00012052680327
                   +1 :              -0.00005838362215
                   +2 :              -0.00001923036693
                4p
                   -1 :               0.00004397288323
                   +0 :               0.00024870159135
                   +1 :               0.00001825573974
              7 vec=   -10.373550     -6.230835     -6.601980   |vec|=   13.784774
                3s
                   +0 :               0.00007858143218
                3p
                   -1 :               0.00020511999024
                   +0 :              -0.00010614499743
                   +1 :              -0.00021179277481
                4s
                   +0 :               0.00019154557001
                5s
                   +0 :              -0.00017645090144
                3d
                   -2 :              -0.00018421099131
                   -1 :               0.00006810254826
                   +0 :               0.00015847655759
                   +1 :              -0.00007901822257
                   +2 :              -0.00006894494757
                4d
                   -2 :               0.00009768249698
                   -1 :               0.00007253586971
                   +0 :              -0.00013477350104
                   +1 :              -0.00001839543313
                   +2 :               0.00012893679800
                4p
                   -1 :              -0.00036806317374
                   +0 :               0.00016992527536
                   +1 :               0.00020108918034
              8 vec=     5.186775     11.736681     -6.601980   |vec|=   14.430470
                3s
                   +0 :               0.00014814485574
                3p
                   -1 :               0.00002280306346
                   +0 :              -0.00013061079975
                   +1 :               0.00011881733287
                4s
                   +0 :              -0.00030910642882
                5s
                   +0 :              -0.00001377997505
                3d
                   -2 :               0.00015786310781
                   -1 :              -0.00011401630153
                   +0 :               0.00007636109660
                   +1 :              -0.00010836899339
                   +2 :              -0.00000039388157
                4d
                   -2 :               0.00002878563480
                   -1 :               0.00008382072984
                   +0 :              -0.00006867052564
                   +1 :               0.00008345192722
                   +2 :              -0.00011643067312
                4p
                   -1 :              -0.00000439231002
                   +0 :               0.00025747801208
                   +1 :              -0.00020197231659
              9 vec=    12.966938     -1.738956     -6.601980   |vec|=   14.654405
                3s
                   +0 :              -0.00029047091080
                3p
                   -1 :              -0.00003104855343
                   +0 :               0.00005979891064
                   +1 :              -0.00009959159382
                4s
                   +0 :               0.00041073438727
                5s
                   +0 :               0.00002869391927
                3d
                   -2 :              -0.00020680771352
                   -1 :               0.00007045612346
                   +0 :               0.00008532528875
                   +1 :               0.00011957638829
                   +2 :               0.00016701457037
                4d
                   -2 :               0.00009227787442
                   -1 :              -0.00004426679924
                   +0 :              -0.00010190814193
                   +1 :              -0.00007291752955
                   +2 :               0.00000503622158
                4p
                   -1 :               0.00010208678561
                   +0 :              -0.00008418755355
                   +1 :               0.00021478444644
             10 vec=    12.966938      7.244802     -6.601980   |vec|=   16.254684
                3s
                   +0 :               0.00021364967817
                3p
                   -1 :               0.00006371236611
                   +0 :              -0.00007175542063
                   +1 :               0.00010042889793
                4s
                   +0 :              -0.00029573837101
                5s
                   +0 :              -0.00000509821993
                3d
                   -2 :              -0.00002358514010
                   -1 :               0.00002455387206
                   +0 :              -0.00006964268647
                   +1 :               0.00006217953857
                   +2 :              -0.00004911358068
                4d
                   -2 :              -0.00004156853767
                   -1 :               0.00004730725979
                   +0 :               0.00000287716587
                   +1 :               0.00008532188351
                   +2 :               0.00000231152680
                4p
                   -1 :              -0.00005097625356
                   +0 :               0.00017252316769
                   +1 :              -0.00012978702559
             11 vec=   -10.373550     11.736681     -6.601980   |vec|=   16.998422
                3s
                   +0 :              -0.00001634203200
                3p
                   -1 :               0.00000887581605
                   +0 :               0.00001635573091
                   +1 :               0.00002837414168
                4s
                   +0 :               0.00013765425670
                5s
                   +0 :              -0.00001780321227
                3d
                   -2 :              -0.00006470871477
                   -1 :              -0.00001227495933
                   +0 :              -0.00001525740177
                   +1 :               0.00012934358141
                   +2 :               0.00003848550541
                4d
                   -2 :              -0.00001666730494
                   -1 :              -0.00000504404906
                   +0 :               0.00001015733323
                   +1 :               0.00003207262501
                   +2 :               0.00000514874941
                4p
                   -1 :               0.00000804099461
                   +0 :              -0.00005489863985
                   +1 :              -0.00006174591423
             12 vec=     5.186775    -15.214593     -6.601980   |vec|=   17.377359
                3s
                   +0 :              -0.00003714700474
                3p
                   -1 :               0.00001759539142
                   +0 :               0.00003109366052
                   +1 :              -0.00000438668965
                4s
                   +0 :               0.00006400081882
                5s
                   +0 :              -0.00001469694844
                3d
                   -2 :               0.00002448960404
                   -1 :              -0.00009887974121
                   +0 :              -0.00000497583371
                   +1 :               0.00004052495894
                   +2 :               0.00006734026820
                4d
                   -2 :               0.00002723089424
                   -1 :               0.00004309758407
                   +0 :               0.00001165005179
                   +1 :              -0.00001956468945
                   +2 :              -0.00000673940518
                4p
                   -1 :              -0.00002852092480
                   +0 :              -0.00006317133744
                   +1 :               0.00000365009490
             13 vec=    -2.593388     16.228560     -6.601980   |vec|=   17.710956
                3s
                   +0 :              -0.00003063175101
                3p
                   -1 :              -0.00001927464984
                   +0 :               0.00001587162628
                   +1 :              -0.00001032855306
                4s
                   +0 :               0.00001785338080
                5s
                   +0 :               0.00001421143744
                3d
                   -2 :               0.00002284800076
                   -1 :               0.00003905201041
                   +0 :               0.00000572540289
                   +1 :              -0.00006792776507
                   +2 :              -0.00002959187001
                4d
                   -2 :              -0.00001226822401
                   -1 :               0.00000138200443
                   +0 :               0.00000259576896
                   +1 :              -0.00000867465492
                   +2 :               0.00000672811259
                4p
                   -1 :               0.00001931274862
                   +0 :              -0.00002065462930
                   +1 :               0.00000675826429
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al(  4)  npairs=  15
              1 vec=    -2.593388     -1.738956     10.693237   |vec|=   11.139791
                2s
                   +0 :              -0.00076713892368
                2p
                   -1 :              -0.00021881375116
                   +0 :              -0.00022619726954
                   +1 :              -0.00001132158827
                3s
                   +0 :               0.00237079361012
                4s
                   +0 :              -0.00051401190073
                3p
                   -1 :               0.00078098539492
                   +0 :               0.00100044730292
                   +1 :              -0.00090063252521
                4p
                   -1 :              -0.00016524515921
                   +0 :              -0.00012955060145
                   +1 :              -0.00003404926041
                3d
                   -2 :               0.00022997530678
                   -1 :               0.00005304345044
                   +0 :              -0.00037206680628
                   +1 :              -0.00037516256111
                   +2 :              -0.00014312382352
              2 vec=     5.186775      2.752923     10.693237   |vec|=   12.199448
                2s
                   +0 :              -0.00019472644531
                2p
                   -1 :               0.00019445516195
                   +0 :              -0.00003628711120
                   +1 :              -0.00018014717554
                3s
                   +0 :               0.00098545533514
                4s
                   +0 :              -0.00017527212516
                3p
                   -1 :              -0.00097858001342
                   +0 :               0.00011433262579
                   +1 :               0.00091469352936
                4p
                   -1 :               0.00026314718354
                   +0 :              -0.00004278350052
                   +1 :              -0.00018896190511
                3d
                   -2 :              -0.00022269420350
                   -1 :              -0.00026200699032
                   +0 :              -0.00032404334330
                   +1 :               0.00010236909080
                   +2 :              -0.00005974718483
              3 vec=    -2.593388      7.244802     10.693237   |vec|=   13.174146
                2s
                   +0 :              -0.00007859313601
                2p
                   -1 :              -0.00019345887397
                   +0 :              -0.00010028976824
                   +1 :               0.00009630328748
                3s
                   +0 :              -0.00109669785943
                4s
                   +0 :               0.00006111763586
                3p
                   -1 :              -0.00019094634972
                   +0 :              -0.00053214223761
                   +1 :              -0.00038872684918
                4p
                   -1 :              -0.00008731389576
                   +0 :              -0.00005413367817
                   +1 :               0.00010063978880
                3d
                   -2 :              -0.00007317892428
                   -1 :              -0.00018358761064
                   +0 :              -0.00000186299447
                   +1 :              -0.00004558017367
                   +2 :               0.00016913538577
              4 vec=     5.186775     -6.230835     10.693237   |vec|=   13.419063
                2s
                   +0 :               0.00011075102995
                2p
                   -1 :              -0.00002327490712
                   +0 :              -0.00000186213720
                   +1 :              -0.00021624427663
                3s
                   +0 :              -0.00027862995314
                4s
                   +0 :              -0.00007981675006
                3p
                   -1 :               0.00020637228393
                   +0 :               0.00018181787371
                   +1 :               0.00080045416858
                4p
                   -1 :               0.00000803977656
                   +0 :              -0.00020671726226
                   +1 :              -0.00017047604402
                3d
                   -2 :               0.00007061435484
                   -1 :               0.00015320160609
                   +0 :               0.00026467799602
                   +1 :               0.00021256750416
                   +2 :               0.00002157683230
              5 vec=    -2.593388     -1.738956    -13.854306   |vec|=   14.201810
                2s
                   +0 :              -0.00003930138386
                2p
                   -1 :              -0.00003094024547
                   +0 :              -0.00004946074103
                   +1 :               0.00003540054581
                3s
                   +0 :              -0.00001141647417
                4s
                   +0 :               0.00004975426686
                3p
                   -1 :               0.00016452833524
                   +0 :               0.00044172786380
                   +1 :              -0.00021573494557
                4p
                   -1 :              -0.00003476768662
                   +0 :              -0.00016269372936
                   +1 :               0.00009993032119
                3d
                   -2 :              -0.00004617587676
                   -1 :              -0.00000561229270
                   +0 :              -0.00010390173986
                   +1 :              -0.00005648555205
                   +2 :              -0.00001263515073
              6 vec=     5.186775      2.752923    -13.854306   |vec|=   15.047359
                2s
                   +0 :              -0.00000660520482
                2p
                   -1 :              -0.00000859298867
                   +0 :               0.00003499674329
                   +1 :              -0.00005008966395
                3s
                   +0 :              -0.00002232351586
                4s
                   +0 :              -0.00003544775541
                3p
                   -1 :               0.00003784531446
                   +0 :              -0.00019306917883
                   +1 :               0.00017020665261
                4p
                   -1 :              -0.00003785288140
                   +0 :               0.00009489935874
                   +1 :              -0.00005185462654
                3d
                   -2 :               0.00001985503805
                   -1 :              -0.00000648030208
                   +0 :               0.00001601555482
                   +1 :               0.00001294603462
                   +2 :               0.00001129308593
              7 vec=   -10.373550      2.752923     10.693237   |vec|=   15.150394
                2s
                   +0 :              -0.00004568741173
                2p
                   -1 :               0.00002818597248
                   +0 :              -0.00006741211825
                   +1 :               0.00003837316884
                3s
                   +0 :               0.00014890746027
                4s
                   +0 :              -0.00013205248172
                3p
                   -1 :               0.00003149705827
                   +0 :               0.00035056186234
                   +1 :              -0.00020388811877
                4p
                   -1 :              -0.00001293724096
                   +0 :              -0.00010091579495
                   +1 :               0.00007570107430
                3d
                   -2 :              -0.00006744365801
                   -1 :               0.00005060590288
                   +0 :               0.00004665073135
                   +1 :              -0.00006959243758
                   +2 :               0.00002339663506
              8 vec=    -2.593388    -10.722714     10.693237   |vec|=   15.363840
                2s
                   +0 :               0.00012038804374
                2p
                   -1 :              -0.00000654634506
                   +0 :               0.00003157261117
                   +1 :              -0.00001373812850
                3s
                   +0 :              -0.00026571112357
                4s
                   +0 :               0.00000571961848
                3p
                   -1 :              -0.00016831494203
                   +0 :              -0.00010674941991
                   +1 :              -0.00004384598217
                4p
                   -1 :               0.00012293304967
                   +0 :               0.00001477760288
                   +1 :               0.00003161585103
                3d
                   -2 :               0.00002836333639
                   -1 :              -0.00001530401627
                   +0 :              -0.00002122719503
                   +1 :              -0.00003221898805
                   +2 :              -0.00005936021652
              9 vec=    -2.593388      7.244802    -13.854306   |vec|=   15.847858
                2s
                   +0 :               0.00004083921055
                2p
                   -1 :               0.00001383850624
                   +0 :              -0.00003600007857
                   +1 :              -0.00002566623922
                3s
                   +0 :               0.00003122804593
                4s
                   +0 :               0.00007929356738
                3p
                   -1 :               0.00004118136783
                   +0 :               0.00020161882140
                   +1 :              -0.00002835637116
                4p
                   -1 :               0.00000464609325
                   +0 :              -0.00006626599069
                   +1 :              -0.00002728342847
                3d
                   -2 :              -0.00006375836525
                   -1 :               0.00003096801774
                   +0 :              -0.00005954123505
                   +1 :               0.00000376760166
                   +2 :               0.00001881107808
             10 vec=     5.186775     -6.230835    -13.854306   |vec|=   16.052032
                2s
                   +0 :               0.00010611180990
                2p
                   -1 :               0.00000987594244
                   +0 :              -0.00003243677049
                   +1 :               0.00004896491007
                3s
                   +0 :              -0.00004951099722
                4s
                   +0 :               0.00004155481280
                3p
                   -1 :              -0.00025356376783
                   +0 :               0.00005482324607
                   +1 :              -0.00020996488508
                4p
                   -1 :               0.00002529306996
                   +0 :               0.00003860603144
                   +1 :               0.00000123885850
                3d
                   -2 :               0.00001066373755
                   -1 :              -0.00005878427648
                   +0 :              -0.00003716000352
                   +1 :               0.00000620107594
                   +2 :              -0.00003640142952
             11 vec=   -10.373550     -6.230835     10.693237   |vec|=   16.148658
                2s
                   +0 :              -0.00028774837069
                2p
                   -1 :               0.00007853729338
                   +0 :              -0.00013198961216
                   +1 :               0.00010059852926
                3s
                   +0 :               0.00093558273897
                4s
                   +0 :              -0.00032870782559
                3p
                   -1 :              -0.00036050995170
                   +0 :               0.00062993516710
                   +1 :              -0.00041685244161
                4p
                   -1 :               0.00006737249945
                   +0 :              -0.00018791006394
                   +1 :               0.00008428371050
                3d
                   -2 :               0.00003457107084
                   -1 :              -0.00007354743922
                   +0 :               0.00006628779317
                   +1 :              -0.00012325683720
                   +2 :              -0.00002735735186
             12 vec=     5.186775     11.736681     10.693237   |vec|=   16.703222
                2s
                   +0 :              -0.00002996274447
                2p
                   -1 :              -0.00000505796165
                   +0 :              -0.00001839218121
                   +1 :              -0.00001670003043
                3s
                   +0 :               0.00021892872886
                4s
                   +0 :              -0.00003025594334
                3p
                   -1 :               0.00005440573690
                   +0 :               0.00016813514866
                   +1 :               0.00007742003566
                4p
                   -1 :               0.00000249358821
                   +0 :              -0.00002294713737
                   +1 :              -0.00002279027825
                3d
                   -2 :               0.00002842423469
                   -1 :               0.00002636873879
                   +0 :               0.00003679362849
                   +1 :               0.00003927060218
                   +2 :              -0.00001402032019
             13 vec=    12.966938     -1.738956     10.693237   |vec|=   16.897064
                2s
                   +0 :              -0.00014587910337
                2p
                   -1 :               0.00004566349650
                   +0 :              -0.00004852494112
                   +1 :              -0.00003168304776
                3s
                   +0 :               0.00055785482437
                4s
                   +0 :              -0.00011234428126
                3p
                   -1 :              -0.00026322370398
                   +0 :               0.00030580245504
                   +1 :               0.00009420953439
                4p
                   -1 :               0.00006443893335
                   +0 :              -0.00004611766229
                   +1 :               0.00002806229107
                3d
                   -2 :              -0.00003272855553
                   -1 :              -0.00002316825071
                   +0 :               0.00006588596103
                   +1 :               0.00003080735055
                   +2 :              -0.00000120401125
             14 vec=   -10.373550      2.752923    -13.854306   |vec|=   17.525151
                2s
                   +0 :               0.00005792035898
                2p
                   -1 :               0.00004194992645
                   +0 :              -0.00001419739999
                   +1 :              -0.00001175656968
                3s
                   +0 :              -0.00034465630793
                4s
                   +0 :               0.00005850562158
                3p
                   -1 :              -0.00029792191639
                   +0 :               0.00010788450036
                   +1 :               0.00013115744652
                4p
                   -1 :               0.00005141399303
                   +0 :              -0.00003697518280
                   +1 :               0.00000191914105
                3d
                   -2 :               0.00008286454575
                   -1 :               0.00003327266787
                   +0 :               0.00003332224430
                   +1 :              -0.00001085154064
                   +2 :               0.00001428158063
             15 vec=    -2.593388    -10.722714    -13.854306   |vec|=   17.709998
                2s
                   +0 :              -0.00011412637933
                2p
                   -1 :               0.00006163550528
                   +0 :               0.00000830572763
                   +1 :               0.00001551971982
                3s
                   +0 :               0.00053741571829
                4s
                   +0 :              -0.00007158406533
                3p
                   -1 :              -0.00040661542170
                   +0 :              -0.00003757154774
                   +1 :              -0.00011058420867
                4p
                   -1 :               0.00004193720777
                   +0 :              -0.00000819544153
                   +1 :               0.00002742660600
                3d
                   -2 :               0.00003027128365
                   -1 :               0.00004489009198
                   +0 :              -0.00004765165892
                   +1 :              -0.00000242898955
                   +2 :              -0.00008636285333
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al(  5)  npairs=  13
              1 vec=     2.593388     -1.738956      6.601898   |vec|=    7.303060
                2s
                   +0 :               0.00024776402754
                2p
                   -1 :               0.00011822642013
                   +0 :              -0.00057602866987
                   +1 :               0.00015415990152
                3s
                   +0 :              -0.00087636761182
                4s
                   +0 :              -0.00048135328310
                3p
                   -1 :              -0.00387073063271
                   +0 :              -0.00100095273081
                   +1 :              -0.00082162738741
                4p
                   -1 :               0.00055030103751
                   +0 :              -0.00064286858768
                   +1 :              -0.00081013463957
                3d
                   -2 :              -0.00076790877686
                   -1 :              -0.00040673236612
                   +0 :              -0.00105485435595
                   +1 :              -0.00182810285754
                   +2 :              -0.00118781920092
              2 vec=    -5.186775      2.752923      6.601898   |vec|=    8.835512
                2s
                   +0 :               0.00189222850534
                2p
                   -1 :              -0.00027394516962
                   +0 :               0.00028640803100
                   +1 :              -0.00033987874318
                3s
                   +0 :              -0.01776268856548
                4s
                   +0 :               0.00308801021279
                3p
                   -1 :              -0.00159862557303
                   +0 :              -0.00881018828882
                   +1 :               0.00828872611639
                4p
                   -1 :              -0.00067140922458
                   +0 :               0.00086632981775
                   +1 :              -0.00069036285343
                3d
                   -2 :               0.00177667089031
                   -1 :              -0.00114134662471
                   +0 :              -0.00071882789540
                   +1 :               0.00283570231731
                   +2 :              -0.00150569563229
              3 vec=     2.593388      7.244802      6.601898   |vec|=   10.138928
                2s
                   +0 :               0.00106813867383
                2p
                   -1 :               0.00042573125431
                   +0 :               0.00052678423659
                   +1 :               0.00013910456385
                3s
                   +0 :              -0.00389326848336
                4s
                   +0 :               0.00165559437909
                3p
                   -1 :              -0.00204339667782
                   +0 :              -0.00339904673599
                   +1 :              -0.00108966303872
                4p
                   -1 :               0.00071047295351
                   +0 :               0.00086431158870
                   +1 :               0.00018922755429
                3d
                   -2 :              -0.00031413505721
                   -1 :              -0.00060966361769
                   +0 :               0.00015322231158
                   +1 :              -0.00029944573555
                   +2 :               0.00025086631087
              4 vec=    -5.186775     -6.230835      6.601898   |vec|=   10.455190
                2s
                   +0 :               0.00111018575419
                2p
                   -1 :              -0.00048321669821
                   +0 :               0.00018317101122
                   +1 :              -0.00018436195892
                3s
                   +0 :              -0.00466457704809
                4s
                   +0 :               0.00161221493011
                3p
                   -1 :               0.00282369698527
                   +0 :              -0.00187844495024
                   +1 :               0.00135579989768
                4p
                   -1 :              -0.00078508921248
                   +0 :               0.00051270008341
                   +1 :              -0.00039392926172
                3d
                   -2 :              -0.00037352677853
                   -1 :               0.00076965578174
                   +0 :               0.00003133239625
                   +1 :              -0.00009684710290
                   +2 :               0.00038072883752
              5 vec=    10.373550      2.752923      6.601898   |vec|=   12.600563
                2s
                   +0 :               0.00022566086996
                2p
                   -1 :               0.00012418987161
                   +0 :               0.00005096610507
                   +1 :               0.00027240494039
                3s
                   +0 :               0.00016406702314
                4s
                   +0 :              -0.00000554395965
                3p
                   -1 :              -0.00025625157909
                   +0 :               0.00025125304740
                   +1 :              -0.00097846977036
                4p
                   -1 :               0.00006937685776
                   +0 :               0.00000949882965
                   +1 :               0.00032579262899
                3d
                   -2 :              -0.00004122363661
                   -1 :              -0.00002199218608
                   +0 :               0.00012712794455
                   +1 :               0.00002708302422
                   +2 :               0.00003680369281
              6 vec=     2.593388    -10.722714      6.601898   |vec|=   12.856411
                2s
                   +0 :              -0.00011344438023
                2p
                   -1 :              -0.00005268508782
                   +0 :               0.00015515115812
                   +1 :              -0.00001311520504
                3s
                   +0 :               0.00078371684425
                4s
                   +0 :              -0.00007109549013
                3p
                   -1 :              -0.00013320278957
                   +0 :              -0.00034649805342
                   +1 :               0.00005505147804
                4p
                   -1 :              -0.00004168294855
                   +0 :               0.00010376176809
                   +1 :              -0.00000956827222
                3d
                   -2 :              -0.00000880226737
                   -1 :               0.00008703425367
                   +0 :              -0.00020262414245
                   +1 :              -0.00002272479227
                   +2 :              -0.00018751969370
              7 vec=    10.373550     -6.230835      6.601898   |vec|=   13.784734
                2s
                   +0 :              -0.00002216184426
                2p
                   -1 :               0.00025230152950
                   +0 :               0.00000817060757
                   +1 :               0.00001178612420
                3s
                   +0 :               0.00059631581002
                4s
                   +0 :              -0.00044250800181
                3p
                   -1 :              -0.00130617880904
                   +0 :               0.00010294228779
                   +1 :               0.00050751389495
                4p
                   -1 :               0.00039441672869
                   +0 :              -0.00010820723017
                   +1 :              -0.00037184330602
                3d
                   -2 :              -0.00005789886977
                   -1 :              -0.00007615383435
                   +0 :              -0.00008715544708
                   +1 :              -0.00000933328876
                   +2 :               0.00015429716414
              8 vec=    -5.186775     11.736681      6.601898   |vec|=   14.430432
                2s
                   +0 :               0.00013145078930
                2p
                   -1 :              -0.00003675177169
                   +0 :               0.00006980075263
                   +1 :              -0.00008584953924
                3s
                   +0 :              -0.00037372692668
                4s
                   +0 :              -0.00001233609928
                3p
                   -1 :               0.00034664386446
                   +0 :              -0.00028396047302
                   +1 :               0.00028969954932
                4p
                   -1 :              -0.00020789285473
                   +0 :               0.00001775279629
                   +1 :              -0.00004917203099
                3d
                   -2 :              -0.00007706340378
                   -1 :              -0.00000782327938
                   +0 :              -0.00004692910845
                   +1 :               0.00010390633411
                   +2 :              -0.00009973419760
              9 vec=   -12.966938     -1.738956      6.601898   |vec|=   14.654368
                2s
                   +0 :              -0.00012128347175
                2p
                   -1 :              -0.00003758716917
                   +0 :              -0.00002913197873
                   +1 :               0.00005758770881
                3s
                   +0 :               0.00018229994972
                4s
                   +0 :               0.00005140256988
                3p
                   -1 :               0.00032174780134
                   +0 :               0.00000506067565
                   +1 :              -0.00027115104345
                4p
                   -1 :              -0.00008726311759
                   +0 :               0.00005645737412
                   +1 :               0.00001850272389
                3d
                   -2 :              -0.00009609029786
                   -1 :               0.00005183506499
                   +0 :              -0.00007475673301
                   +1 :              -0.00006609512860
                   +2 :              -0.00000638902223
             10 vec=   -12.966938      7.244802      6.601898   |vec|=   16.254651
                2s
                   +0 :               0.00015712391071
                2p
                   -1 :               0.00000340996991
                   +0 :               0.00004880647728
                   +1 :              -0.00006012314134
                3s
                   +0 :              -0.00050711743591
                4s
                   +0 :               0.00009147357257
                3p
                   -1 :               0.00004683392434
                   +0 :              -0.00022207810472
                   +1 :               0.00023495893390
                4p
                   -1 :              -0.00004473996584
                   +0 :               0.00005634922857
                   +1 :              -0.00002122411621
                3d
                   -2 :              -0.00001973153667
                   -1 :              -0.00002612755262
                   +0 :              -0.00002661759333
                   +1 :               0.00002828533415
                   +2 :              -0.00005447904911
             11 vec=    10.373550     11.736681      6.601898   |vec|=   16.998390
                2s
                   +0 :              -0.00007446048613
                2p
                   -1 :              -0.00000809617798
                   +0 :              -0.00002792766040
                   +1 :              -0.00003776050193
                3s
                   +0 :               0.00043085744131
                4s
                   +0 :              -0.00010399385447
                3p
                   -1 :               0.00008370411952
                   +0 :               0.00021871851774
                   +1 :               0.00025708614483
                4p
                   -1 :              -0.00001394780026
                   +0 :              -0.00003257243508
                   +1 :              -0.00004127417532
                3d
                   -2 :               0.00000682157418
                   -1 :               0.00002057601793
                   +0 :               0.00000794237956
                   +1 :               0.00004828506238
                   +2 :               0.00004861964415
             12 vec=    -5.186775    -15.214593      6.601898   |vec|=   17.377328
                2s
                   +0 :              -0.00004027437390
                2p
                   -1 :               0.00002137456770
                   +0 :              -0.00003111769175
                   +1 :               0.00000844643567
                3s
                   +0 :               0.00008799016827
                4s
                   +0 :              -0.00004087978079
                3p
                   -1 :              -0.00006434185440
                   +0 :               0.00014301941980
                   +1 :              -0.00005490297857
                4p
                   -1 :               0.00001349255295
                   +0 :              -0.00004088622016
                   +1 :               0.00001143601487
                3d
                   -2 :              -0.00001254792530
                   -1 :              -0.00004096970637
                   +0 :               0.00000979031627
                   +1 :              -0.00000761533252
                   +2 :               0.00001504920029
             13 vec=     2.593388     16.228560      6.601898   |vec|=   17.710925
                2s
                   +0 :               0.00000240198592
                2p
                   -1 :               0.00001307048661
                   +0 :              -0.00000404057508
                   +1 :               0.00001351569466
                3s
                   +0 :              -0.00002888187911
                4s
                   +0 :               0.00003036100405
                3p
                   -1 :              -0.00012204080782
                   +0 :               0.00000901862493
                   +1 :              -0.00002332206102
                4p
                   -1 :               0.00005074255560
                   +0 :               0.00000660387067
                   +1 :              -0.00001390461637
                3d
                   -2 :               0.00000839445650
                   -1 :               0.00000963371867
                   +0 :               0.00001105408656
                   +1 :              -0.00001029209516
                   +2 :               0.00001686158291
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al(  6)  npairs=  15
              1 vec=     2.593388     -1.738956    -10.693319   |vec|=   11.139869
                2s
                   +0 :               0.00086258316111
                2p
                   -1 :               0.00013033470320
                   +0 :              -0.00028023696611
                   +1 :               0.00008860014956
                3s
                   +0 :              -0.00214185384578
                4s
                   +0 :               0.00068218339914
                3p
                   -1 :              -0.00049773218680
                   +0 :               0.00091963663361
                   +1 :              -0.00104193463672
                4p
                   -1 :               0.00011910063413
                   +0 :              -0.00019033060796
                   +1 :               0.00005774973683
                3d
                   -2 :               0.00024728776291
                   -1 :               0.00003689258607
                   +0 :               0.00036897966570
                   +1 :               0.00032384852167
                   +2 :               0.00021196868558
              2 vec=    -5.186775      2.752923    -10.693319   |vec|=   12.199520
                2s
                   +0 :               0.00001461977879
                2p
                   -1 :              -0.00016431896614
                   +0 :               0.00000486527093
                   +1 :              -0.00004983322705
                3s
                   +0 :              -0.00044222582922
                4s
                   +0 :              -0.00002637780719
                3p
                   -1 :               0.00099533480045
                   +0 :              -0.00004575938323
                   +1 :               0.00022888216493
                4p
                   -1 :              -0.00027881539451
                   +0 :               0.00002296024556
                   +1 :              -0.00003621361833
                3d
                   -2 :              -0.00029705213393
                   -1 :              -0.00022146714932
                   +0 :               0.00026959915606
                   +1 :               0.00002680466555
                   +2 :               0.00007628762274
              3 vec=     2.593388      7.244802    -10.693319   |vec|=   13.174213
                2s
                   +0 :              -0.00017588888910
                2p
                   -1 :               0.00000924690960
                   +0 :              -0.00001265761902
                   +1 :              -0.00000153935203
                3s
                   +0 :               0.00131579466207
                4s
                   +0 :              -0.00008468979373
                3p
                   -1 :               0.00050610127160
                   +0 :              -0.00047254271979
                   +1 :               0.00026328420336
                4p
                   -1 :               0.00000778884894
                   +0 :              -0.00005575017392
                   +1 :              -0.00005949063612
                3d
                   -2 :               0.00006988417911
                   -1 :              -0.00020067494141
                   +0 :              -0.00010032722773
                   +1 :              -0.00004053212684
                   +2 :              -0.00018045487342
              4 vec=    -5.186775     -6.230835    -10.693319   |vec|=   13.419128
                2s
                   +0 :              -0.00009628757737
                2p
                   -1 :              -0.00004629586586
                   +0 :              -0.00004423477225
                   +1 :              -0.00013503698098
                3s
                   +0 :               0.00036441889776
                4s
                   +0 :               0.00027943003388
                3p
                   -1 :               0.00022395736392
                   +0 :               0.00041243554783
                   +1 :               0.00021638037464
                4p
                   -1 :              -0.00016515710601
                   +0 :              -0.00033235143307
                   +1 :              -0.00011826406588
                3d
                   -2 :               0.00008469139227
                   -1 :               0.00004622062388
                   +0 :              -0.00035383026058
                   +1 :              -0.00010000186080
                   +2 :               0.00014389436685
              5 vec=     2.593388     -1.738956     13.854224   |vec|=   14.201730
                2s
                   +0 :               0.00009728558667
                2p
                   -1 :               0.00000826521221
                   +0 :              -0.00002167509962
                   +1 :               0.00006386636471
                3s
                   +0 :              -0.00012277536211
                4s
                   +0 :               0.00000086685533
                3p
                   -1 :              -0.00003689356905
                   +0 :               0.00018826349017
                   +1 :              -0.00032539624491
                4p
                   -1 :               0.00002158129563
                   +0 :              -0.00007966980899
                   +1 :               0.00010619853093
                3d
                   -2 :              -0.00000726594435
                   -1 :               0.00000683287668
                   +0 :               0.00003006831722
                   +1 :               0.00003199400734
                   +2 :               0.00002310709408
              6 vec=    -5.186775      2.752923     13.854224   |vec|=   15.047283
                2s
                   +0 :              -0.00003677569149
                2p
                   -1 :               0.00000452262557
                   +0 :              -0.00000879105243
                   +1 :              -0.00001839426886
                3s
                   +0 :               0.00016204827370
                4s
                   +0 :               0.00001410248515
                3p
                   -1 :              -0.00002239772196
                   +0 :               0.00007900591927
                   +1 :              -0.00003548670465
                4p
                   -1 :               0.00003230174860
                   +0 :               0.00000807635701
                   +1 :              -0.00002290479870
                3d
                   -2 :              -0.00000309745970
                   -1 :              -0.00001026244227
                   +0 :               0.00001102670669
                   +1 :              -0.00001927086852
                   +2 :               0.00005768587202
              7 vec=    10.373550      2.752923    -10.693319   |vec|=   15.150452
                2s
                   +0 :              -0.00005386066657
                2p
                   -1 :              -0.00006934080004
                   +0 :              -0.00000503959294
                   +1 :              -0.00007416454799
                3s
                   +0 :              -0.00000329830169
                4s
                   +0 :              -0.00021655482699
                3p
                   -1 :               0.00049950202208
                   +0 :               0.00008089199392
                   +1 :               0.00045772375924
                4p
                   -1 :              -0.00004947206065
                   +0 :               0.00007703314285
                   +1 :              -0.00016206265246
                3d
                   -2 :               0.00004538988151
                   -1 :              -0.00012530012328
                   +0 :              -0.00003177109534
                   +1 :              -0.00005421313939
                   +2 :               0.00018687274260
              8 vec=     2.593388    -10.722714    -10.693319   |vec|=   15.363897
                2s
                   +0 :              -0.00001452012540
                2p
                   -1 :               0.00002561022931
                   +0 :              -0.00002371417340
                   +1 :              -0.00006377416053
                3s
                   +0 :              -0.00001664439164
                4s
                   +0 :               0.00003196973819
                3p
                   -1 :               0.00002044382774
                   +0 :               0.00011319529648
                   +1 :               0.00022712447294
                4p
                   -1 :              -0.00005334626287
                   +0 :              -0.00001415084568
                   +1 :               0.00001371197174
                3d
                   -2 :               0.00004481589824
                   -1 :              -0.00001157652767
                   +0 :               0.00001051862001
                   +1 :              -0.00005198602458
                   +2 :              -0.00001890127471
              9 vec=     2.593388      7.244802     13.854224   |vec|=   15.847786
                2s
                   +0 :               0.00001500237407
                2p
                   -1 :               0.00000283704932
                   +0 :              -0.00006006663631
                   +1 :               0.00000529786126
                3s
                   +0 :              -0.00012351317862
                4s
                   +0 :              -0.00004080121134
                3p
                   -1 :              -0.00010896010435
                   +0 :               0.00037343266416
                   +1 :              -0.00014092003095
                4p
                   -1 :               0.00000753128603
                   +0 :              -0.00014322222539
                   +1 :              -0.00000828994294
                3d
                   -2 :              -0.00008190190043
                   -1 :               0.00002226323620
                   +0 :               0.00011565928945
                   +1 :              -0.00001393011536
                   +2 :              -0.00001786401876
             10 vec=    -5.186775     -6.230835     13.854224   |vec|=   16.051961
                2s
                   +0 :              -0.00006925718726
                2p
                   -1 :              -0.00001290091034
                   +0 :              -0.00004620073218
                   +1 :               0.00003960437395
                3s
                   +0 :               0.00000299920780
                4s
                   +0 :              -0.00002414914843
                3p
                   -1 :               0.00029283976813
                   +0 :               0.00013462321760
                   +1 :              -0.00015184730430
                4p
                   -1 :              -0.00003355005707
                   +0 :              -0.00001460764843
                   +1 :              -0.00000392457000
                3d
                   -2 :              -0.00001113634860
                   -1 :              -0.00003514452638
                   +0 :               0.00006696949855
                   +1 :               0.00000807888779
                   +2 :               0.00006015202665
             11 vec=    10.373550     -6.230835    -10.693319   |vec|=   16.148712
                2s
                   +0 :               0.00007731658199
                2p
                   -1 :              -0.00003438518913
                   +0 :              -0.00004564425911
                   +1 :               0.00003313888770
                3s
                   +0 :              -0.00027040271640
                4s
                   +0 :               0.00012289454715
                3p
                   -1 :               0.00016084099858
                   +0 :               0.00023411316679
                   +1 :              -0.00014865099691
                4p
                   -1 :              -0.00002027996603
                   +0 :              -0.00009294708994
                   +1 :               0.00003916772100
                3d
                   -2 :               0.00000173124123
                   -1 :              -0.00003068537724
                   +0 :               0.00000353516106
                   +1 :               0.00003577240436
                   +2 :               0.00001321686739
             12 vec=    -5.186775     11.736681    -10.693319   |vec|=   16.703274
                2s
                   +0 :              -0.00004636661593
                2p
                   -1 :              -0.00002602384647
                   +0 :               0.00001313082928
                   +1 :               0.00005145818993
                3s
                   +0 :               0.00019886387082
                4s
                   +0 :              -0.00019131501401
                3p
                   -1 :               0.00015621529597
                   +0 :              -0.00007038572227
                   +1 :              -0.00034483740371
                4p
                   -1 :              -0.00009601619316
                   +0 :               0.00008119693295
                   +1 :               0.00009596361684
                3d
                   -2 :              -0.00007029000516
                   -1 :              -0.00000401442716
                   +0 :               0.00000141381489
                   +1 :               0.00003207723947
                   +2 :               0.00002597508266
             13 vec=   -12.966938     -1.738956    -10.693319   |vec|=   16.897115
                2s
                   +0 :               0.00004320052634
                2p
                   -1 :              -0.00006103609931
                   +0 :               0.00000447824890
                   +1 :              -0.00001148204625
                3s
                   +0 :              -0.00019741131985
                4s
                   +0 :              -0.00004018337986
                3p
                   -1 :               0.00034365400146
                   +0 :               0.00003473521365
                   +1 :              -0.00000432928233
                4p
                   -1 :              -0.00008917221861
                   +0 :               0.00002779962331
                   +1 :               0.00006613706199
                3d
                   -2 :              -0.00004382191582
                   -1 :              -0.00004084506074
                   +0 :              -0.00002917262092
                   +1 :              -0.00001259243860
                   +2 :              -0.00000766902866
             14 vec=    10.373550      2.752923     13.854224   |vec|=   17.525086
                2s
                   +0 :              -0.00006199946520
                2p
                   -1 :              -0.00002974073387
                   +0 :              -0.00000555151640
                   +1 :              -0.00001600552672
                3s
                   +0 :               0.00036076059706
                4s
                   +0 :              -0.00005622774707
                3p
                   -1 :               0.00023411826403
                   +0 :               0.00008529299122
                   +1 :               0.00019005528829
                4p
                   -1 :              -0.00002945381524
                   +0 :              -0.00001698222768
                   +1 :              -0.00000643291861
                3d
                   -2 :               0.00007539078162
                   -1 :               0.00002573475204
                   +0 :              -0.00004912018198
                   +1 :               0.00001410106468
                   +2 :              -0.00001318888155
             15 vec=     2.593388    -10.722714     13.854224   |vec|=   17.709934
                2s
                   +0 :               0.00009725502423
                2p
                   -1 :              -0.00006417455798
                   +0 :              -0.00000035489957
                   +1 :               0.00000709642372
                3s
                   +0 :              -0.00031083565899
                4s
                   +0 :               0.00006682451264
                3p
                   -1 :               0.00030824616436
                   +0 :               0.00003235259282
                   +1 :              -0.00005181022813
                4p
                   -1 :              -0.00004835328133
                   +0 :              -0.00002625033512
                   +1 :               0.00001676191911
                3d
                   -2 :               0.00002848890593
                   -1 :               0.00001969864476
                   +0 :               0.00003458790403
                   +1 :               0.00000845217534
                   +2 :               0.00005353951342
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al(  7)  npairs=  14
              1 vec=     2.593388     -1.738956      1.580453   |vec|=    3.499637
                2s
                   +0 :               0.03834789485848
                2p
                   -1 :              -0.02224655976325
                   +0 :               0.02365346152124
                   +1 :               0.02801717587878
                3s
                   +0 :               0.07955278007392
                4s
                   +0 :               0.01645184260699
                3p
                   -1 :              -0.05602116678269
                   +0 :               0.04393449416286
                   +1 :               0.02315591912193
                4p
                   -1 :              -0.00870521909961
                   +0 :               0.01121333495312
                   +1 :               0.01894790382630
                3d
                   -2 :              -0.03492742851946
                   -1 :              -0.03504640085583
                   +0 :               0.00468702044813
                   +1 :               0.03524749788848
                   +2 :              -0.00648649068396
              2 vec=    -5.186775      2.752923      1.580453   |vec|=    6.081040
                2s
                   +0 :               0.00342418185520
                2p
                   -1 :               0.00168562485374
                   +0 :               0.00163233994099
                   +1 :              -0.00147898881759
                3s
                   +0 :              -0.00256949098418
                4s
                   +0 :               0.00457009987119
                3p
                   -1 :              -0.00828383426622
                   +0 :              -0.00868998936455
                   +1 :               0.00282006771135
                4p
                   -1 :               0.00316962495937
                   +0 :               0.00305695178762
                   +1 :              -0.00122371001544
                3d
                   -2 :               0.00441845474951
                   -1 :              -0.00151074524816
                   +0 :               0.00283296070449
                   +1 :               0.00265090546276
                   +2 :              -0.00198488079456
              3 vec=     2.593388      7.244802      1.580453   |vec|=    7.855612
                2s
                   +0 :               0.00026028949478
                2p
                   -1 :              -0.00021797853372
                   +0 :              -0.00074267224310
                   +1 :               0.00016775191154
                3s
                   +0 :               0.00938651136714
                4s
                   +0 :              -0.00015304561110
                3p
                   -1 :               0.00661590303333
                   +0 :               0.00924219543600
                   +1 :              -0.00157135063926
                4p
                   -1 :               0.00005727693140
                   +0 :              -0.00097550749808
                   +1 :              -0.00007950883642
                3d
                   -2 :              -0.00081698133084
                   -1 :               0.00391292126033
                   +0 :               0.00048155002421
                   +1 :               0.00027863070497
                   +2 :              -0.00153817159790
              4 vec=    -5.186775     -6.230835      1.580453   |vec|=    8.259768
                2s
                   +0 :               0.00060247472504
                2p
                   -1 :               0.00089642313237
                   +0 :               0.00056465158450
                   +1 :              -0.00044088764371
                3s
                   +0 :              -0.00505334983631
                4s
                   +0 :               0.00136681215438
                3p
                   -1 :              -0.00706093405308
                   +0 :              -0.00553583903798
                   +1 :               0.00420120215263
                4p
                   -1 :               0.00101726354662
                   +0 :               0.00106243129218
                   +1 :              -0.00103646445493
                3d
                   -2 :               0.00233632656038
                   -1 :              -0.00139185987449
                   +0 :              -0.00089476122102
                   +1 :               0.00191896181729
                   +2 :              -0.00194713715129
              5 vec=    10.373550      2.752923      1.580453   |vec|=   10.848362
                2s
                   +0 :              -0.00043729469760
                2p
                   -1 :               0.00024706565040
                   +0 :               0.00014498525360
                   +1 :              -0.00049513084965
                3s
                   +0 :               0.00210167737773
                4s
                   +0 :              -0.00037351551093
                3p
                   -1 :              -0.00094854056077
                   +0 :               0.00005216563322
                   +1 :               0.00244872860020
                4p
                   -1 :               0.00029217492131
                   +0 :              -0.00003229276352
                   +1 :              -0.00044954658826
                3d
                   -2 :              -0.00033430725073
                   -1 :               0.00010853083270
                   +0 :              -0.00021112136027
                   +1 :               0.00020741282466
                   +2 :               0.00093814197612
              6 vec=     2.593388    -10.722714      1.580453   |vec|=   11.144509
                2s
                   +0 :               0.00041162241355
                2p
                   -1 :              -0.00000463721735
                   +0 :              -0.00019318453455
                   +1 :               0.00012381008118
                3s
                   +0 :              -0.00195541344742
                4s
                   +0 :              -0.00017272642573
                3p
                   -1 :               0.00003778497770
                   +0 :               0.00052686827562
                   +1 :              -0.00134017120623
                4p
                   -1 :               0.00030233156780
                   +0 :              -0.00017914052636
                   +1 :               0.00005985130134
                3d
                   -2 :               0.00081899416038
                   -1 :              -0.00037320551136
                   +0 :              -0.00028627413806
                   +1 :              -0.00046276548127
                   +2 :              -0.00020176683806
              7 vec=    10.373550     -6.230835      1.580453   |vec|=   12.203757
                2s
                   +0 :              -0.00002488426726
                2p
                   -1 :               0.00012761354503
                   +0 :               0.00005687234651
                   +1 :               0.00007739278014
                3s
                   +0 :               0.00063188415796
                4s
                   +0 :               0.00002613694230
                3p
                   -1 :              -0.00076532804768
                   +0 :               0.00016489547595
                   +1 :               0.00014380526189
                4p
                   -1 :               0.00030677052159
                   +0 :               0.00006001126745
                   +1 :               0.00010224099473
                3d
                   -2 :              -0.00002975143871
                   -1 :               0.00007533747621
                   +0 :              -0.00007270842207
                   +1 :               0.00006299121178
                   +2 :               0.00008305130618
              8 vec=    -5.186775     11.736681      1.580453   |vec|=   12.928656
                2s
                   +0 :              -0.00006232174283
                2p
                   -1 :              -0.00007158480335
                   +0 :              -0.00012900140375
                   +1 :              -0.00001704815316
                3s
                   +0 :              -0.00083938335451
                4s
                   +0 :               0.00008803342884
                3p
                   -1 :              -0.00044747307604
                   +0 :              -0.00002859691828
                   +1 :              -0.00043417582055
                4p
                   -1 :               0.00003584359883
                   +0 :              -0.00014412607655
                   +1 :              -0.00000801427796
                3d
                   -2 :              -0.00026630049216
                   -1 :              -0.00018830126902
                   +0 :              -0.00017076831010
                   +1 :              -0.00014057817277
                   +2 :               0.00011889295065
              9 vec=   -12.966938     -1.738956      1.580453   |vec|=   13.178136
                2s
                   +0 :               0.00005847627570
                2p
                   -1 :               0.00017241467725
                   +0 :               0.00007865195938
                   +1 :               0.00003098193607
                3s
                   +0 :              -0.00263022558027
                4s
                   +0 :               0.00005043612364
                3p
                   -1 :               0.00056217612587
                   +0 :              -0.00231912668591
                   +1 :               0.00110955317407
                4p
                   -1 :               0.00013959385189
                   +0 :               0.00034211083562
                   +1 :               0.00009944170149
                3d
                   -2 :              -0.00040022745562
                   -1 :               0.00049942075295
                   +0 :              -0.00023172639491
                   +1 :               0.00085908247729
                   +2 :              -0.00003815682137
             10 vec=   -12.966938      7.244802      1.580453   |vec|=   14.937418
                2s
                   +0 :               0.00015385331257
                2p
                   -1 :               0.00000534015742
                   +0 :              -0.00002013893146
                   +1 :               0.00000706563012
                3s
                   +0 :              -0.00077918109372
                4s
                   +0 :               0.00013664961605
                3p
                   -1 :              -0.00003951120577
                   +0 :              -0.00006970256420
                   +1 :              -0.00002653064469
                4p
                   -1 :              -0.00003290787566
                   +0 :              -0.00004336729397
                   +1 :               0.00001531056672
                3d
                   -2 :              -0.00005310555708
                   -1 :              -0.00003914777573
                   +0 :              -0.00004291895320
                   +1 :              -0.00005027795426
                   +2 :               0.00000523153012
             11 vec=    10.373550     11.736681      1.580453   |vec|=   15.743508
                2s
                   +0 :              -0.00007632227167
                2p
                   -1 :              -0.00001427116133
                   +0 :              -0.00000604025198
                   +1 :              -0.00003803295640
                3s
                   +0 :               0.00029890454148
                4s
                   +0 :              -0.00010237952391
                3p
                   -1 :               0.00011857171881
                   +0 :               0.00007685637086
                   +1 :               0.00024235735397
                4p
                   -1 :              -0.00003086261149
                   +0 :              -0.00002130525513
                   +1 :              -0.00006567346768
                3d
                   -2 :               0.00006328656275
                   -1 :               0.00000409642960
                   +0 :              -0.00004440087334
                   +1 :              -0.00000976941519
                   +2 :               0.00003394225495
             12 vec=    -5.186775    -15.214593      1.580453   |vec|=   16.151913
                2s
                   +0 :              -0.00001480731384
                2p
                   -1 :               0.00001912681955
                   +0 :               0.00000192788278
                   +1 :               0.00000318595596
                3s
                   +0 :               0.00018315452213
                4s
                   +0 :              -0.00010885021167
                3p
                   -1 :              -0.00020156886933
                   +0 :               0.00004120121555
                   +1 :              -0.00010696134165
                4p
                   -1 :               0.00012089358691
                   +0 :              -0.00002693006974
                   +1 :               0.00001172614715
                3d
                   -2 :              -0.00003177178417
                   -1 :               0.00002448068953
                   +0 :               0.00003892457777
                   +1 :              -0.00002123384767
                   +2 :               0.00001523380046
             13 vec=     2.593388     16.228560      1.580453   |vec|=   16.510289
                2s
                   +0 :               0.00001950675607
                2p
                   -1 :              -0.00000235065279
                   +0 :              -0.00001596295851
                   +1 :              -0.00001995831640
                3s
                   +0 :              -0.00020521887996
                4s
                   +0 :               0.00003106835289
                3p
                   -1 :              -0.00013618622063
                   +0 :              -0.00000076398700
                   +1 :               0.00010808198197
                4p
                   -1 :               0.00001269451010
                   +0 :              -0.00002308631835
                   +1 :              -0.00000580104370
                3d
                   -2 :               0.00001735656144
                   -1 :              -0.00003845127795
                   +0 :              -0.00000427250736
                   +1 :               0.00002615673129
                   +2 :               0.00001757430515
             14 vec=   -12.966938    -10.722714      1.580453   |vec|=   16.900175
                2s
                   +0 :               0.00000096843081
                2p
                   -1 :               0.00002734201525
                   +0 :              -0.00001206074405
                   +1 :              -0.00000432552691
                3s
                   +0 :              -0.00022425947957
                4s
                   +0 :               0.00008251922733
                3p
                   -1 :              -0.00009047945277
                   +0 :              -0.00005503322412
                   +1 :               0.00015700979305
                4p
                   -1 :               0.00001603460678
                   +0 :               0.00000410021556
                   +1 :              -0.00005679442090
                3d
                   -2 :               0.00002613105082
                   -1 :              -0.00000652121187
                   +0 :              -0.00000317944405
                   +1 :               0.00003858706509
                   +2 :              -0.00003546054063
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al(  8)  npairs=  14
              1 vec=     2.593388     -1.738956     -5.671873   |vec|=    6.474548
                2s
                   +0 :              -0.00209337296170
                2p
                   -1 :               0.00082056087409
                   +0 :               0.00186478614239
                   +1 :              -0.00017204720634
                3s
                   +0 :               0.00614476377810
                4s
                   +0 :              -0.00457366786573
                3p
                   -1 :              -0.00394621925628
                   +0 :              -0.01251154617668
                   +1 :               0.00028470298086
                4p
                   -1 :               0.00100946122982
                   +0 :               0.00532167067095
                   +1 :              -0.00034035933129
                3d
                   -2 :              -0.00145598639900
                   -1 :              -0.00020569770791
                   +0 :               0.00284662790624
                   +1 :              -0.00205423250818
                   +2 :               0.00104781075782
              2 vec=    -5.186775      2.752923     -5.671873   |vec|=    8.164029
                2s
                   +0 :              -0.00053573333458
                2p
                   -1 :              -0.00050951117668
                   +0 :              -0.00019036374033
                   +1 :              -0.00026627565979
                3s
                   +0 :              -0.00461800762070
                4s
                   +0 :               0.00014956437036
                3p
                   -1 :               0.00060085839939
                   +0 :              -0.00098411537005
                   +1 :               0.00501131737507
                4p
                   -1 :              -0.00046044042480
                   +0 :              -0.00014061352055
                   +1 :              -0.00026372877329
                3d
                   -2 :               0.00127085707862
                   -1 :              -0.00082738792010
                   +0 :               0.00180717902023
                   +1 :               0.00019248506423
                   +2 :              -0.00120462720336
              3 vec=     2.593388      7.244802     -5.671873   |vec|=    9.559444
                2s
                   +0 :               0.00053923190502
                2p
                   -1 :               0.00029119951564
                   +0 :              -0.00036484219421
                   +1 :               0.00072659728417
                3s
                   +0 :              -0.00102854511193
                4s
                   +0 :               0.00018626698291
                3p
                   -1 :              -0.00147360740680
                   +0 :               0.00105563141616
                   +1 :              -0.00313918741892
                4p
                   -1 :               0.00038816265877
                   +0 :              -0.00024157840228
                   +1 :               0.00056533242920
                3d
                   -2 :              -0.00051925494230
                   -1 :               0.00043404976444
                   +0 :               0.00019018786442
                   +1 :               0.00032244085719
                   +2 :               0.00007034360967
              4 vec=    -5.186775     -6.230835     -5.671873   |vec|=    9.894245
                2s
                   +0 :              -0.00116443577073
                2p
                   -1 :               0.00110780192233
                   +0 :              -0.00040098086524
                   +1 :              -0.00078609157762
                3s
                   +0 :               0.00284401649495
                4s
                   +0 :              -0.00076071712495
                3p
                   -1 :              -0.00491532706914
                   +0 :               0.00292993396243
                   +1 :               0.00389387837926
                4p
                   -1 :               0.00079769481544
                   +0 :              -0.00136620691622
                   +1 :              -0.00082636197562
                3d
                   -2 :              -0.00045271831510
                   -1 :              -0.00026809412254
                   +0 :              -0.00066480000186
                   +1 :              -0.00065196502977
                   +2 :              -0.00083663053715
              5 vec=    10.373550      2.752923     -5.671873   |vec|=   12.139163
                2s
                   +0 :               0.00020711984629
                2p
                   -1 :               0.00015210518047
                   +0 :              -0.00004580160173
                   +1 :               0.00021123318880
                3s
                   +0 :              -0.00044478242634
                4s
                   +0 :               0.00040387159567
                3p
                   -1 :              -0.00061993945723
                   +0 :               0.00009508244091
                   +1 :              -0.00064557148836
                4p
                   -1 :               0.00018033894247
                   +0 :              -0.00002230417819
                   +1 :               0.00027682595882
                3d
                   -2 :              -0.00016884655364
                   -1 :               0.00021357689420
                   +0 :              -0.00003940818647
                   +1 :               0.00027120890727
                   +2 :               0.00010331198599
              6 vec=     2.593388    -10.722714     -5.671873   |vec|=   12.404532
                2s
                   +0 :              -0.00010230023499
                2p
                   -1 :               0.00014965457589
                   +0 :               0.00014047881159
                   +1 :               0.00011103079566
                3s
                   +0 :               0.00048549047448
                4s
                   +0 :               0.00007243126488
                3p
                   -1 :              -0.00085482860580
                   +0 :              -0.00039615718139
                   +1 :              -0.00044375134629
                4p
                   -1 :               0.00004598574654
                   +0 :               0.00004878644285
                   +1 :               0.00015605041403
                3d
                   -2 :              -0.00006744630069
                   -1 :               0.00017071456770
                   +0 :              -0.00005329081711
                   +1 :              -0.00000250605214
                   +2 :              -0.00032353125774
              7 vec=    10.373550     -6.230835     -5.671873   |vec|=   13.364281
                2s
                   +0 :               0.00013799083579
                2p
                   -1 :              -0.00005723102065
                   +0 :               0.00001884049200
                   +1 :              -0.00001973118622
                3s
                   +0 :              -0.00040179205889
                4s
                   +0 :               0.00022582820192
                3p
                   -1 :               0.00030479868329
                   +0 :              -0.00002447386455
                   +1 :              -0.00008118835059
                4p
                   -1 :              -0.00009831841835
                   +0 :               0.00002211913630
                   +1 :               0.00009563079577
                3d
                   -2 :              -0.00007577198722
                   -1 :               0.00008938583510
                   +0 :               0.00010868685522
                   +1 :               0.00004052513620
                   +2 :              -0.00003050834809
              8 vec=    -5.186775     11.736681     -5.671873   |vec|=   14.029343
                2s
                   +0 :               0.00013997144122
                2p
                   -1 :              -0.00004424552053
                   +0 :              -0.00001432969708
                   +1 :              -0.00007346764407
                3s
                   +0 :              -0.00058712743983
                4s
                   +0 :               0.00023581133035
                3p
                   -1 :               0.00018251316162
                   +0 :              -0.00002110423713
                   +1 :               0.00042099985190
                4p
                   -1 :              -0.00003489286386
                   +0 :               0.00001755947041
                   +1 :              -0.00010124349361
                3d
                   -2 :               0.00001994744365
                   -1 :              -0.00007357989864
                   +0 :              -0.00002484236878
                   +1 :              -0.00011435075913
                   +2 :              -0.00015125427664
              9 vec=   -12.966938     -1.738956     -5.671873   |vec|=   14.259579
                2s
                   +0 :              -0.00000436699625
                2p
                   -1 :               0.00004985794412
                   +0 :               0.00002065109691
                   +1 :               0.00011832001251
                3s
                   +0 :              -0.00013167305356
                4s
                   +0 :               0.00003414622884
                3p
                   -1 :              -0.00031194559717
                   +0 :              -0.00004760454723
                   +1 :              -0.00061728533214
                4p
                   -1 :               0.00007958812201
                   +0 :               0.00000767251831
                   +1 :               0.00015430194571
                3d
                   -2 :               0.00001255447468
                   -1 :               0.00016172053910
                   +0 :              -0.00010911578890
                   +1 :               0.00009646597765
                   +2 :               0.00014354160866
             10 vec=   -12.966938      7.244802     -5.671873   |vec|=   15.899647
                2s
                   +0 :              -0.00018423609588
                2p
                   -1 :              -0.00004547020053
                   +0 :               0.00002841118135
                   +1 :               0.00013209207674
                3s
                   +0 :               0.00048672440493
                4s
                   +0 :              -0.00010774167099
                3p
                   -1 :               0.00018557334302
                   +0 :              -0.00004138066553
                   +1 :              -0.00060615751758
                4p
                   -1 :              -0.00001773186370
                   +0 :              -0.00002477424983
                   +1 :               0.00011300149982
                3d
                   -2 :              -0.00011679569900
                   -1 :              -0.00002368758694
                   +0 :              -0.00006730251059
                   +1 :               0.00009517616530
                   +2 :               0.00005309966110
             11 vec=    10.373550     11.736681     -5.671873   |vec|=   16.659243
                2s
                   +0 :               0.00006372794449
                2p
                   -1 :              -0.00001406891551
                   +0 :              -0.00000884630419
                   +1 :               0.00002920782051
                3s
                   +0 :              -0.00014877949932
                4s
                   +0 :               0.00005201809651
                3p
                   -1 :               0.00004880372671
                   +0 :              -0.00010823827741
                   +1 :              -0.00001457817331
                4p
                   -1 :              -0.00001844029598
                   +0 :               0.00001526633385
                   +1 :               0.00003080351189
                3d
                   -2 :              -0.00000172293393
                   -1 :              -0.00002427145587
                   +0 :              -0.00003784497192
                   +1 :               0.00002139791050
                   +2 :              -0.00000103793516
             12 vec=    -5.186775    -15.214593     -5.671873   |vec|=   17.045722
                2s
                   +0 :              -0.00010895273542
                2p
                   -1 :               0.00007249216452
                   +0 :               0.00004393387041
                   +1 :               0.00001281523632
                3s
                   +0 :               0.00040493791795
                4s
                   +0 :              -0.00012492671309
                3p
                   -1 :              -0.00038477705066
                   +0 :              -0.00023838604912
                   +1 :              -0.00008229141979
                4p
                   -1 :               0.00009280425950
                   +0 :               0.00005813794992
                   +1 :               0.00004639390672
                3d
                   -2 :              -0.00001556463707
                   -1 :               0.00012598343259
                   +0 :               0.00001129135643
                   +1 :              -0.00000058115739
                   +2 :              -0.00008844416679
             13 vec=     2.593388     16.228560     -5.671873   |vec|=   17.385683
                2s
                   +0 :               0.00000985751343
                2p
                   -1 :              -0.00000488926895
                   +0 :              -0.00000415964420
                   +1 :              -0.00001443475277
                3s
                   +0 :               0.00002707858334
                4s
                   +0 :              -0.00001245938140
                3p
                   -1 :               0.00005269508730
                   +0 :               0.00002607471983
                   +1 :               0.00005333057498
                4p
                   -1 :              -0.00001939601119
                   +0 :              -0.00000144407802
                   +1 :              -0.00001719532637
                3d
                   -2 :               0.00000795612569
                   -1 :              -0.00000700386787
                   +0 :               0.00000139372518
                   +1 :              -0.00000502045541
                   +2 :              -0.00002008888478
             14 vec=   -12.966938    -10.722714     -5.671873   |vec|=   17.756357
                2s
                   +0 :               0.00003373672568
                2p
                   -1 :               0.00001345131177
                   +0 :              -0.00000742355275
                   +1 :              -0.00000976381041
                3s
                   +0 :              -0.00009927146260
                4s
                   +0 :              -0.00002170726591
                3p
                   -1 :              -0.00004907368833
                   +0 :               0.00003132511336
                   +1 :               0.00000079033732
                4p
                   -1 :               0.00002891668931
                   +0 :               0.00000652089625
                   +1 :               0.00003691314774
                3d
                   -2 :               0.00003558246027
                   -1 :               0.00003195388778
                   +0 :               0.00000615206283
                   +1 :              -0.00002147830293
                   +2 :              -0.00002811762390
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al(  9)  npairs=  13
              1 vec=     0.000000      2.752923     -9.762967   |vec|=   10.143673
                2s
                   +0 :              -0.00007889090482
                2p
                   -1 :               0.00006454767715
                   +0 :               0.00005786519524
                   +1 :              -0.00004159793407
                3s
                   +0 :               0.00002518220089
                4s
                   +0 :               0.00015618124274
                3p
                   -1 :              -0.00047105533421
                   +0 :              -0.00006586904575
                   +1 :              -0.00020980181491
                4p
                   -1 :               0.00002900467085
                   +0 :              -0.00007589176546
                   +1 :               0.00009036871599
                3d
                   -2 :               0.00022682645659
                   -1 :              -0.00004484003844
                   +0 :               0.00001914433677
                   +1 :              -0.00005327215616
                   +2 :              -0.00005070581780
              2 vec=     0.000000     -6.230835     -9.762967   |vec|=   11.581832
                2s
                   +0 :              -0.00007324299073
                2p
                   -1 :              -0.00028151725218
                   +0 :               0.00005106538561
                   +1 :               0.00027850199484
                3s
                   +0 :               0.00051206690112
                4s
                   +0 :              -0.00004503301293
                3p
                   -1 :               0.00153541189203
                   +0 :              -0.00017474508773
                   +1 :              -0.00111809674668
                4p
                   -1 :              -0.00046713048095
                   +0 :              -0.00007206929352
                   +1 :               0.00032023575320
                3d
                   -2 :               0.00002735725140
                   -1 :              -0.00020144452229
                   +0 :               0.00003370000502
                   +1 :               0.00036711063798
                   +2 :               0.00019494724904
              3 vec=    -7.780163     -1.738956     -9.762967   |vec|=   12.604381
                2s
                   +0 :               0.00017208268563
                2p
                   -1 :               0.00013598526359
                   +0 :               0.00007169463608
                   +1 :               0.00023139101487
                3s
                   +0 :              -0.00146153032236
                4s
                   +0 :               0.00002663902632
                3p
                   -1 :               0.00025592598516
                   +0 :              -0.00022014272183
                   +1 :              -0.00038969439786
                4p
                   -1 :              -0.00004862210927
                   +0 :               0.00032023667098
                   +1 :               0.00033861934404
                3d
                   -2 :              -0.00034853440487
                   -1 :              -0.00006694440065
                   +0 :               0.00022808740153
                   +1 :               0.00005257193770
                   +2 :               0.00001364133765
              4 vec=     7.780163     -1.738956     -9.762967   |vec|=   12.604381
                2s
                   +0 :              -0.00013866976508
                2p
                   -1 :               0.00010094378165
                   +0 :              -0.00000331926029
                   +1 :               0.00001328515974
                3s
                   +0 :               0.00118516311084
                4s
                   +0 :              -0.00014876555530
                3p
                   -1 :              -0.00057433920832
                   +0 :              -0.00014505042872
                   +1 :               0.00077415982480
                4p
                   -1 :               0.00015189382919
                   +0 :              -0.00000470345387
                   +1 :               0.00001739651949
                3d
                   -2 :              -0.00012836816178
                   -1 :               0.00005780116775
                   +0 :              -0.00015416321561
                   +1 :              -0.00012906734205
                   +2 :               0.00019877620478
              5 vec=    -7.780163      7.244802     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00021115124397
                2p
                   -1 :               0.00000946512535
                   +0 :              -0.00007005851376
                   +1 :              -0.00000215256035
                3s
                   +0 :              -0.00082107631559
                4s
                   +0 :               0.00019123127032
                3p
                   -1 :              -0.00006601541080
                   +0 :               0.00045106717862
                   +1 :              -0.00000467622216
                4p
                   -1 :              -0.00004877106511
                   +0 :              -0.00010794214193
                   +1 :              -0.00001665099007
                3d
                   -2 :              -0.00000733322336
                   -1 :               0.00005343686012
                   +0 :               0.00003844559262
                   +1 :              -0.00000801732215
                   +2 :               0.00012894531730
              6 vec=     7.780163      7.244802     -9.762967   |vec|=   14.433766
                2s
                   +0 :               0.00010023587726
                2p
                   -1 :              -0.00008879203902
                   +0 :              -0.00001335119948
                   +1 :              -0.00009453146772
                3s
                   +0 :              -0.00039514161493
                4s
                   +0 :              -0.00000017682175
                3p
                   -1 :               0.00046294327112
                   +0 :              -0.00005972454228
                   +1 :               0.00085097314397
                4p
                   -1 :              -0.00012514155847
                   +0 :               0.00005382524328
                   +1 :              -0.00017898786224
                3d
                   -2 :               0.00031156578458
                   -1 :              -0.00009687988069
                   +0 :               0.00006707552152
                   +1 :              -0.00018418998335
                   +2 :              -0.00015697803928
              7 vec=     0.000000      2.752923     14.784576   |vec|=   15.038692
                2s
                   +0 :              -0.00002217230030
                2p
                   -1 :              -0.00000369775900
                   +0 :              -0.00001328118909
                   +1 :              -0.00001585001775
                3s
                   +0 :               0.00014446783476
                4s
                   +0 :              -0.00006963010240
                3p
                   -1 :               0.00005272122035
                   +0 :               0.00007616101319
                   +1 :               0.00015165780873
                4p
                   -1 :              -0.00001234610361
                   +0 :              -0.00003283433795
                   +1 :              -0.00001928413862
                3d
                   -2 :              -0.00002102633441
                   -1 :               0.00000339748037
                   +0 :               0.00002324220354
                   +1 :               0.00002719871948
                   +2 :               0.00002906717234
              8 vec=     0.000000     11.736681     -9.762967   |vec|=   15.266473
                2s
                   +0 :              -0.00005156095881
                2p
                   -1 :              -0.00000785711984
                   +0 :              -0.00000768756619
                   +1 :               0.00001602388685
                3s
                   +0 :               0.00023148540520
                4s
                   +0 :               0.00005509162989
                3p
                   -1 :               0.00007988600331
                   +0 :              -0.00000721764742
                   +1 :              -0.00014080272224
                4p
                   -1 :               0.00004887233063
                   +0 :              -0.00004776098627
                   +1 :               0.00007059528130
                3d
                   -2 :              -0.00000955212794
                   -1 :              -0.00004069450585
                   +0 :              -0.00000611818371
                   +1 :               0.00000720849292
                   +2 :              -0.00006057077484
              9 vec=     0.000000     -6.230835     14.784576   |vec|=   16.043908
                2s
                   +0 :               0.00005241202764
                2p
                   -1 :               0.00000126376870
                   +0 :               0.00000219213684
                   +1 :              -0.00004707817305
                3s
                   +0 :              -0.00006093042682
                4s
                   +0 :              -0.00000985078503
                3p
                   -1 :              -0.00002707478697
                   +0 :               0.00006256557088
                   +1 :               0.00022891921099
                4p
                   -1 :               0.00000426311158
                   +0 :              -0.00002897506109
                   +1 :              -0.00004459841468
                3d
                   -2 :               0.00002561485863
                   -1 :              -0.00003826383818
                   +0 :               0.00004681621509
                   +1 :               0.00000913703849
                   +2 :               0.00004578552261
             10 vec=    -7.780163    -10.722714     -9.762967   |vec|=   16.456702
                2s
                   +0 :              -0.00012119045250
                2p
                   -1 :               0.00005967747084
                   +0 :               0.00002620930924
                   +1 :               0.00002954367039
                3s
                   +0 :               0.00035498067578
                4s
                   +0 :              -0.00007413567148
                3p
                   -1 :              -0.00023016830976
                   +0 :              -0.00015228155269
                   +1 :              -0.00009361081509
                4p
                   -1 :               0.00006591034410
                   +0 :               0.00001055349860
                   +1 :              -0.00001459636963
                3d
                   -2 :               0.00003615210041
                   -1 :               0.00002583109339
                   +0 :               0.00001094320408
                   +1 :               0.00001885893793
                   +2 :              -0.00001603268603
             11 vec=     7.780163    -10.722714     -9.762967   |vec|=   16.456702
                2s
                   +0 :               0.00000373978459
                2p
                   -1 :               0.00004142219871
                   +0 :               0.00001975665204
                   +1 :               0.00002889488504
                3s
                   +0 :               0.00007173280617
                4s
                   +0 :              -0.00003787553331
                3p
                   -1 :              -0.00028650710365
                   +0 :              -0.00010569569857
                   +1 :              -0.00019012967877
                4p
                   -1 :               0.00006200419844
                   +0 :               0.00004244497825
                   +1 :               0.00003774431975
                3d
                   -2 :              -0.00008839886740
                   -1 :               0.00006534449942
                   +0 :               0.00001382838589
                   +1 :              -0.00002075570070
                   +2 :              -0.00006073538674
             12 vec=    -7.780163     -1.738956     14.784576   |vec|=   16.796981
                2s
                   +0 :               0.00012014700803
                2p
                   -1 :               0.00002379332700
                   +0 :               0.00003997117363
                   +1 :              -0.00001390151050
                3s
                   +0 :              -0.00032256743641
                4s
                   +0 :               0.00007899265671
                3p
                   -1 :              -0.00013616348388
                   +0 :              -0.00011233308154
                   +1 :               0.00007201571616
                4p
                   -1 :               0.00001621706581
                   +0 :               0.00002189229444
                   +1 :              -0.00001504887199
                3d
                   -2 :               0.00005522237155
                   -1 :              -0.00000708501303
                   +0 :               0.00004771089912
                   +1 :              -0.00000639743039
                   +2 :              -0.00002585474219
             13 vec=     7.780163     -1.738956     14.784576   |vec|=   16.796981
                2s
                   +0 :              -0.00004001699277
                2p
                   -1 :               0.00005009014222
                   +0 :              -0.00000095960701
                   +1 :               0.00002539848745
                3s
                   +0 :               0.00003166313074
                4s
                   +0 :               0.00003696151982
                3p
                   -1 :              -0.00026840205277
                   +0 :              -0.00012108259590
                   +1 :              -0.00018244178144
                4p
                   -1 :               0.00005428142200
                   +0 :               0.00004808203138
                   +1 :               0.00003908216181
                3d
                   -2 :               0.00004577385125
                   -1 :              -0.00002128232919
                   +0 :              -0.00009523341767
                   +1 :              -0.00006511606856
                   +2 :              -0.00002154187930
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al( 10)  npairs=  14
              1 vec=     0.000000      2.752923     -2.510641   |vec|=    3.725842
                2s
                   +0 :               0.00301248183933
                2p
                   -1 :               0.00202855733675
                   +0 :              -0.00071885301429
                   +1 :              -0.00297193234880
                3s
                   +0 :               0.00406558488490
                4s
                   +0 :               0.00312703281697
                3p
                   -1 :               0.00063490379414
                   +0 :              -0.00115178409293
                   +1 :              -0.02618778270138
                4p
                   -1 :               0.00262201056968
                   +0 :              -0.00147583551545
                   +1 :               0.00140937282302
                3d
                   -2 :              -0.02158563378996
                   -1 :              -0.00249896663350
                   +0 :              -0.00096021253687
                   +1 :               0.01859440955533
                   +2 :              -0.00361488347721
              2 vec=     0.000000     -6.230835     -2.510641   |vec|=    6.717635
                2s
                   +0 :               0.00380523403622
                2p
                   -1 :              -0.00219246268234
                   +0 :              -0.00092712064335
                   +1 :               0.00071197271269
                3s
                   +0 :              -0.01896377224218
                4s
                   +0 :               0.00822707648370
                3p
                   -1 :               0.01285017797329
                   +0 :               0.00766970503764
                   +1 :              -0.00264402728979
                4p
                   -1 :              -0.00394757316312
                   +0 :              -0.00264853188358
                   +1 :               0.00087098327608
                3d
                   -2 :              -0.00162366560281
                   -1 :              -0.00148439397518
                   +0 :              -0.00068197263462
                   +1 :               0.00203280829816
                   +2 :               0.00048527897201
              3 vec=    -7.780163     -1.738956     -2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00107380949468
                2p
                   -1 :              -0.00082767909809
                   +0 :              -0.00067281562471
                   +1 :              -0.00044665904965
                3s
                   +0 :              -0.00817219601087
                4s
                   +0 :               0.00002176416512
                3p
                   -1 :               0.00788492402430
                   +0 :               0.00892737564460
                   +1 :               0.00000540784463
                4p
                   -1 :              -0.00156633577802
                   +0 :              -0.00086317842468
                   +1 :               0.00105890894668
                3d
                   -2 :              -0.00097981276428
                   -1 :              -0.00223804583669
                   +0 :              -0.00183993272837
                   +1 :              -0.00073700974298
                   +2 :               0.00206276356988
              4 vec=     7.780163     -1.738956     -2.510641   |vec|=    8.358123
                2s
                   +0 :               0.00073546982465
                2p
                   -1 :              -0.00006875875385
                   +0 :               0.00032725427784
                   +1 :               0.00104775559629
                3s
                   +0 :               0.00214928890820
                4s
                   +0 :               0.00091963508835
                3p
                   -1 :              -0.00153449409816
                   +0 :              -0.00677563795389
                   +1 :              -0.00589015859169
                4p
                   -1 :              -0.00087517519946
                   +0 :               0.00052636941419
                   +1 :               0.00168093714988
                3d
                   -2 :               0.00008892100899
                   -1 :               0.00187533483477
                   +0 :               0.00328467387327
                   +1 :              -0.00082971892152
                   +2 :              -0.00198354310688
              5 vec=    -7.780163      7.244802     -2.510641   |vec|=   10.923434
                2s
                   +0 :              -0.00024835693237
                2p
                   -1 :               0.00011096191062
                   +0 :              -0.00002625096757
                   +1 :               0.00010695671101
                3s
                   +0 :               0.00022831709188
                4s
                   +0 :              -0.00025722660204
                3p
                   -1 :              -0.00073890896775
                   +0 :               0.00025899221050
                   +1 :              -0.00007729323987
                4p
                   -1 :               0.00013992880878
                   +0 :              -0.00001510420303
                   +1 :              -0.00000841916951
                3d
                   -2 :               0.00015219222747
                   -1 :              -0.00002744107028
                   +0 :               0.00011253777083
                   +1 :              -0.00037936222925
                   +2 :               0.00021156204779
              6 vec=     7.780163      7.244802     -2.510641   |vec|=   10.923434
                2s
                   +0 :               0.00028965342043
                2p
                   -1 :               0.00033025581093
                   +0 :              -0.00013178596609
                   +1 :              -0.00001699486409
                3s
                   +0 :               0.00059648533524
                4s
                   +0 :              -0.00031932937120
                3p
                   -1 :              -0.00080364501278
                   +0 :               0.00051982771190
                   +1 :               0.00132705308552
                4p
                   -1 :               0.00002651258970
                   +0 :              -0.00014519472442
                   +1 :              -0.00038365804903
                3d
                   -2 :               0.00007453053284
                   -1 :              -0.00003430928753
                   +0 :               0.00014349217178
                   +1 :              -0.00017918633992
                   +2 :               0.00020385964411
              7 vec=     0.000000     11.736681     -2.510641   |vec|=   12.002208
                2s
                   +0 :               0.00006857769294
                2p
                   -1 :               0.00003345539794
                   +0 :               0.00006953574289
                   +1 :              -0.00001363167650
                3s
                   +0 :              -0.00007109991568
                4s
                   +0 :              -0.00003184354777
                3p
                   -1 :              -0.00016393797429
                   +0 :              -0.00020668334052
                   +1 :               0.00024416502189
                4p
                   -1 :               0.00002039025734
                   +0 :               0.00001853912590
                   +1 :               0.00007761320645
                3d
                   -2 :               0.00030438760602
                   -1 :              -0.00007298949882
                   +0 :               0.00009270060802
                   +1 :              -0.00015235697276
                   +2 :              -0.00010258436256
              8 vec=    -7.780163    -10.722714     -2.510641   |vec|=   13.483725
                2s
                   +0 :               0.00005974241391
                2p
                   -1 :              -0.00023819823475
                   +0 :               0.00015960909868
                   +1 :               0.00022527739376
                3s
                   +0 :              -0.00063508931721
                4s
                   +0 :               0.00003608516430
                3p
                   -1 :               0.00131330981223
                   +0 :              -0.00012866114237
                   +1 :              -0.00083379155361
                4p
                   -1 :              -0.00032552749509
                   +0 :              -0.00002730649720
                   +1 :               0.00029504269048
                3d
                   -2 :              -0.00002645331067
                   -1 :               0.00002407270960
                   +0 :               0.00006335859720
                   +1 :               0.00001112947952
                   +2 :               0.00044295625501
              9 vec=     7.780163    -10.722714     -2.510641   |vec|=   13.483725
                2s
                   +0 :              -0.00014749571662
                2p
                   -1 :              -0.00001306055652
                   +0 :               0.00006476601891
                   +1 :              -0.00006752524121
                3s
                   +0 :               0.00118110590710
                4s
                   +0 :              -0.00033851839629
                3p
                   -1 :              -0.00011689285756
                   +0 :              -0.00073541609070
                   +1 :               0.00066671715001
                4p
                   -1 :               0.00008170857125
                   +0 :               0.00012358237549
                   +1 :              -0.00014265162742
                3d
                   -2 :              -0.00012147546004
                   -1 :               0.00015777997973
                   +0 :               0.00014943185469
                   +1 :              -0.00021669105798
                   +2 :               0.00011150210321
             10 vec=     0.000000    -15.214593     -2.510641   |vec|=   15.420349
                2s
                   +0 :              -0.00004956291709
                2p
                   -1 :               0.00003310452961
                   +0 :               0.00002839274355
                   +1 :              -0.00000429745145
                3s
                   +0 :               0.00014587886408
                4s
                   +0 :              -0.00002839601829
                3p
                   -1 :              -0.00010162480532
                   +0 :              -0.00019852988568
                   +1 :              -0.00001261269550
                4p
                   -1 :               0.00001221323790
                   +0 :               0.00007617188519
                   +1 :               0.00002106900185
                3d
                   -2 :               0.00000473219070
                   -1 :               0.00003372520936
                   +0 :              -0.00003643485610
                   +1 :               0.00000357991060
                   +2 :               0.00001980559030
             11 vec=   -15.560325      2.752923     -2.510641   |vec|=   16.000176
                2s
                   +0 :               0.00001680325453
                2p
                   -1 :               0.00005385479012
                   +0 :               0.00003596849017
                   +1 :              -0.00003553597364
                3s
                   +0 :              -0.00013633046475
                4s
                   +0 :               0.00013205371082
                3p
                   -1 :              -0.00026665547338
                   +0 :              -0.00015164273443
                   +1 :               0.00019744350458
                4p
                   -1 :               0.00007789003473
                   +0 :               0.00001317525953
                   +1 :              -0.00010438750803
                3d
                   -2 :               0.00003043612872
                   -1 :               0.00006386771420
                   +0 :              -0.00000416362266
                   +1 :               0.00001025617788
                   +2 :              -0.00003597207185
             12 vec=    15.560325      2.752923     -2.510641   |vec|=   16.000176
                2s
                   +0 :              -0.00006355197324
                2p
                   -1 :              -0.00001819441645
                   +0 :              -0.00005041841664
                   +1 :              -0.00007144904066
                3s
                   +0 :               0.00022268257375
                4s
                   +0 :              -0.00007928529578
                3p
                   -1 :               0.00010161120869
                   +0 :               0.00022670234774
                   +1 :               0.00027727642190
                4p
                   -1 :              -0.00003439399295
                   +0 :              -0.00003311111544
                   +1 :              -0.00009059524044
                3d
                   -2 :               0.00003068578098
                   -1 :              -0.00000587151724
                   +0 :              -0.00004020317849
                   +1 :               0.00004009832375
                   +2 :              -0.00000753517784
             13 vec=   -15.560325     -6.230835     -2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00001821019168
                2p
                   -1 :              -0.00000445503900
                   +0 :               0.00001304636213
                   +1 :               0.00000178679423
                3s
                   +0 :              -0.00020638665048
                4s
                   +0 :               0.00009398531153
                3p
                   -1 :               0.00005746078778
                   +0 :              -0.00002047941383
                   +1 :               0.00003246929507
                4p
                   -1 :              -0.00004768426894
                   +0 :               0.00001688732133
                   +1 :              -0.00001557697771
                3d
                   -2 :              -0.00003809461529
                   -1 :              -0.00001211451158
                   +0 :              -0.00003713226572
                   +1 :              -0.00001422775181
                   +2 :              -0.00000440384822
             14 vec=    15.560325     -6.230835     -2.510641   |vec|=   16.948461
                2s
                   +0 :               0.00005040745099
                2p
                   -1 :               0.00000185627142
                   +0 :              -0.00003391853328
                   +1 :               0.00003947310025
                3s
                   +0 :              -0.00007470238035
                4s
                   +0 :               0.00006635601309
                3p
                   -1 :               0.00002115624990
                   +0 :               0.00013381671201
                   +1 :              -0.00015349122553
                4p
                   -1 :              -0.00001372841428
                   +0 :              -0.00004998074651
                   +1 :               0.00004182522577
                3d
                   -2 :              -0.00000317227550
                   -1 :              -0.00004563166816
                   +0 :              -0.00000863685513
                   +1 :              -0.00000376856139
                   +2 :              -0.00000042363878
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al( 11)  npairs=  13
              1 vec=     0.000000      2.752923      9.763130   |vec|=   10.143831
                2s
                   +0 :              -0.00013400565012
                2p
                   -1 :               0.00012758752813
                   +0 :               0.00007293147918
                   +1 :              -0.00001193081378
                3s
                   +0 :               0.00079746517856
                4s
                   +0 :              -0.00028917514923
                3p
                   -1 :              -0.00058297289423
                   +0 :              -0.00004230341083
                   +1 :              -0.00022500097226
                4p
                   -1 :               0.00023027940997
                   +0 :              -0.00007931352765
                   +1 :               0.00001176748584
                3d
                   -2 :              -0.00001138581351
                   -1 :              -0.00004880848891
                   +0 :              -0.00010533930572
                   +1 :              -0.00002364940036
                   +2 :              -0.00006687982807
              2 vec=     0.000000     -6.230835      9.763130   |vec|=   11.581970
                2s
                   +0 :              -0.00019649791053
                2p
                   -1 :               0.00029937982659
                   +0 :               0.00001388769826
                   +1 :               0.00035498040372
                3s
                   +0 :               0.00053533091767
                4s
                   +0 :              -0.00012925960382
                3p
                   -1 :              -0.00156707670718
                   +0 :              -0.00004981988525
                   +1 :              -0.00154357283361
                4p
                   -1 :               0.00045103365299
                   +0 :              -0.00009905843285
                   +1 :               0.00035908555972
                3d
                   -2 :              -0.00005958056770
                   -1 :              -0.00014471957780
                   +0 :              -0.00015089881399
                   +1 :              -0.00038083929405
                   +2 :              -0.00004087935282
              3 vec=    -7.780163     -1.738956      9.763130   |vec|=   12.604508
                2s
                   +0 :               0.00001479775951
                2p
                   -1 :              -0.00007346565436
                   +0 :              -0.00001672025195
                   +1 :               0.00015147478456
                3s
                   +0 :              -0.00133996892712
                4s
                   +0 :               0.00016333658880
                3p
                   -1 :               0.00085775921219
                   +0 :              -0.00022351968106
                   +1 :               0.00039742955350
                4p
                   -1 :              -0.00027732167088
                   +0 :               0.00000593711459
                   +1 :               0.00018066832934
                3d
                   -2 :              -0.00008800643966
                   -1 :              -0.00004292470132
                   +0 :               0.00015927209486
                   +1 :               0.00009689627875
                   +2 :              -0.00015018580572
              4 vec=     7.780163     -1.738956      9.763130   |vec|=   12.604508
                2s
                   +0 :              -0.00005706190552
                2p
                   -1 :              -0.00024102743313
                   +0 :               0.00010484493642
                   +1 :               0.00024639379794
                3s
                   +0 :               0.00157145957638
                4s
                   +0 :              -0.00002112139720
                3p
                   -1 :               0.00006040484301
                   +0 :              -0.00022077584660
                   +1 :               0.00009269133312
                4p
                   -1 :              -0.00004608767796
                   +0 :               0.00030745783404
                   +1 :               0.00020393338727
                3d
                   -2 :              -0.00040834311617
                   -1 :               0.00001490576794
                   +0 :              -0.00022619144540
                   +1 :              -0.00000376575312
                   +2 :              -0.00002242392523
              5 vec=    -7.780163      7.244802      9.763130   |vec|=   14.433877
                2s
                   +0 :               0.00004544135908
                2p
                   -1 :               0.00013541620767
                   +0 :               0.00003414584035
                   +1 :               0.00003306035828
                3s
                   +0 :              -0.00022283746598
                4s
                   +0 :               0.00007975181942
                3p
                   -1 :              -0.00070108612061
                   +0 :              -0.00026515774646
                   +1 :              -0.00033189890643
                4p
                   -1 :               0.00010916766955
                   +0 :               0.00010167501914
                   +1 :               0.00006114102862
                3d
                   -2 :               0.00003393799212
                   -1 :              -0.00014119336514
                   +0 :              -0.00000920570962
                   +1 :              -0.00004980547023
                   +2 :               0.00014229465874
              6 vec=     7.780163      7.244802      9.763130   |vec|=   14.433877
                2s
                   +0 :              -0.00010464628807
                2p
                   -1 :              -0.00008266745696
                   +0 :              -0.00003278299349
                   +1 :              -0.00003431620960
                3s
                   +0 :               0.00037497909534
                4s
                   +0 :              -0.00010368510719
                3p
                   -1 :               0.00049461934422
                   +0 :               0.00021296819506
                   +1 :               0.00021428715322
                4p
                   -1 :              -0.00005640438392
                   +0 :              -0.00006353037282
                   +1 :              -0.00009145223743
                3d
                   -2 :               0.00010901667858
                   -1 :               0.00013478972664
                   +0 :              -0.00003530260364
                   +1 :               0.00004630644049
                   +2 :              -0.00005944228829
              7 vec=     0.000000      2.752923    -14.784412   |vec|=   15.038531
                2s
                   +0 :               0.00006277142531
                2p
                   -1 :               0.00002880648044
                   +0 :              -0.00003181066887
                   +1 :               0.00003112237800
                3s
                   +0 :              -0.00021094326538
                4s
                   +0 :               0.00010478377961
                3p
                   -1 :              -0.00022794598603
                   +0 :               0.00016612999695
                   +1 :              -0.00010301993841
                4p
                   -1 :               0.00004795679922
                   +0 :              -0.00005985928621
                   +1 :               0.00001804811845
                3d
                   -2 :              -0.00002372038567
                   -1 :               0.00004012032552
                   +0 :              -0.00003057018840
                   +1 :               0.00001789690921
                   +2 :               0.00000922207575
              8 vec=     0.000000     11.736681      9.763130   |vec|=   15.266578
                2s
                   +0 :              -0.00007982600954
                2p
                   -1 :              -0.00006335255067
                   +0 :              -0.00002604045726
                   +1 :              -0.00002782657077
                3s
                   +0 :               0.00015549261988
                4s
                   +0 :              -0.00005252961931
                3p
                   -1 :               0.00021932929113
                   +0 :               0.00007105395897
                   +1 :               0.00019191714667
                4p
                   -1 :              -0.00005234198659
                   +0 :              -0.00002735925274
                   +1 :              -0.00002909578594
                3d
                   -2 :              -0.00001070435087
                   -1 :               0.00001009695350
                   +0 :              -0.00001421843101
                   +1 :               0.00000878744052
                   +2 :              -0.00005774978723
              9 vec=     0.000000     -6.230835    -14.784412   |vec|=   16.043757
                2s
                   +0 :              -0.00005288445603
                2p
                   -1 :              -0.00001365855775
                   +0 :              -0.00000296132240
                   +1 :              -0.00004826460368
                3s
                   +0 :               0.00016630645850
                4s
                   +0 :               0.00000965708709
                3p
                   -1 :               0.00014487997775
                   +0 :               0.00007456048318
                   +1 :               0.00030268292169
                4p
                   -1 :              -0.00003538737108
                   +0 :              -0.00003607894848
                   +1 :              -0.00005335469480
                3d
                   -2 :               0.00001669048867
                   -1 :              -0.00006488753572
                   +0 :              -0.00005296148258
                   +1 :              -0.00002200640868
                   +2 :              -0.00003451693591
             10 vec=    -7.780163    -10.722714      9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00000982550060
                2p
                   -1 :               0.00001034633457
                   +0 :               0.00000118619260
                   +1 :               0.00001664170101
                3s
                   +0 :              -0.00015593893471
                4s
                   +0 :               0.00006963197190
                3p
                   -1 :               0.00004358941835
                   +0 :              -0.00005452623190
                   +1 :              -0.00003960020089
                4p
                   -1 :              -0.00004117127384
                   +0 :               0.00004299381880
                   +1 :               0.00001327047864
                3d
                   -2 :               0.00001194029168
                   -1 :              -0.00001969870122
                   +0 :               0.00002139311536
                   +1 :               0.00000295953855
                   +2 :              -0.00002853372977
             11 vec=     7.780163    -10.722714      9.763130   |vec|=   16.456799
                2s
                   +0 :               0.00001753032541
                2p
                   -1 :              -0.00004849918164
                   +0 :               0.00000731275383
                   +1 :               0.00004568308102
                3s
                   +0 :              -0.00001210110415
                4s
                   +0 :               0.00002540201363
                3p
                   -1 :               0.00020694288688
                   +0 :              -0.00003887553426
                   +1 :              -0.00015256555184
                4p
                   -1 :              -0.00007237221040
                   +0 :               0.00000595326907
                   +1 :               0.00001875605072
                3d
                   -2 :               0.00002105501821
                   -1 :               0.00002318847697
                   +0 :              -0.00002065784029
                   +1 :              -0.00002371004748
                   +2 :               0.00007257901575
             12 vec=    -7.780163     -1.738956    -14.784412   |vec|=   16.796837
                2s
                   +0 :               0.00004799133813
                2p
                   -1 :              -0.00002891017751
                   +0 :               0.00000321602121
                   +1 :               0.00004038098736
                3s
                   +0 :              -0.00012526561091
                4s
                   +0 :              -0.00003011414261
                3p
                   -1 :               0.00015942021616
                   +0 :              -0.00011881266035
                   +1 :              -0.00025940623237
                4p
                   -1 :              -0.00001822254636
                   +0 :               0.00005629852402
                   +1 :               0.00005677051588
                3d
                   -2 :               0.00005200421048
                   -1 :               0.00000067072165
                   +0 :               0.00010498153769
                   +1 :               0.00007778281464
                   +2 :               0.00004444869200
             13 vec=     7.780163     -1.738956    -14.784412   |vec|=   16.796837
                2s
                   +0 :              -0.00009663273101
                2p
                   -1 :              -0.00004498004071
                   +0 :               0.00002376956215
                   +1 :              -0.00001782879210
                3s
                   +0 :               0.00036654034304
                4s
                   +0 :              -0.00008025425428
                3p
                   -1 :               0.00025402327484
                   +0 :              -0.00007538477056
                   +1 :               0.00011661965797
                4p
                   -1 :              -0.00003131757307
                   +0 :               0.00001002103775
                   +1 :              -0.00000708542330
                3d
                   -2 :               0.00007810002413
                   -1 :              -0.00003520992397
                   +0 :              -0.00005218465344
                   +1 :               0.00000085522431
                   +2 :               0.00001736583392
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site Al( 12)  npairs=  14
              1 vec=     0.000000      2.752923      2.510804   |vec|=    3.725953
                2s
                   +0 :              -0.00299193391081
                2p
                   -1 :              -0.00215295208446
                   +0 :              -0.00071550774048
                   +1 :              -0.00309789615613
                3s
                   +0 :              -0.00515071804059
                4s
                   +0 :              -0.00308950558284
                3p
                   -1 :              -0.00075219904791
                   +0 :              -0.00109376039310
                   +1 :              -0.02686343283705
                4p
                   -1 :              -0.00289668910547
                   +0 :              -0.00143504583124
                   +1 :               0.00131434271084
                3d
                   -2 :              -0.02219665605295
                   -1 :              -0.00250859083413
                   +0 :               0.00111189339777
                   +1 :              -0.01863525036522
                   +2 :               0.00364557787219
              2 vec=     0.000000     -6.230835      2.510804   |vec|=    6.717696
                2s
                   +0 :              -0.00351432152107
                2p
                   -1 :               0.00200183496383
                   +0 :              -0.00095627745018
                   +1 :               0.00072721240812
                3s
                   +0 :               0.01753610400022
                4s
                   +0 :              -0.00796646953483
                3p
                   -1 :              -0.01161824935620
                   +0 :               0.00788598959739
                   +1 :              -0.00290991524850
                4p
                   -1 :               0.00374812172524
                   +0 :              -0.00262537423175
                   +1 :               0.00092314495217
                3d
                   -2 :              -0.00153335657662
                   -1 :              -0.00160966188666
                   +0 :               0.00069963580932
                   +1 :              -0.00184309955913
                   +2 :              -0.00041863664435
              3 vec=    -7.780163     -1.738956      2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00089914989029
                2p
                   -1 :               0.00011151488098
                   +0 :               0.00033225876961
                   +1 :               0.00102863517049
                3s
                   +0 :              -0.00159178449628
                4s
                   +0 :              -0.00099759550064
                3p
                   -1 :               0.00116161812889
                   +0 :              -0.00660613857919
                   +1 :              -0.00574532198352
                4p
                   -1 :               0.00091629106489
                   +0 :               0.00048048674661
                   +1 :               0.00161631928260
                3d
                   -2 :               0.00005704876877
                   -1 :               0.00188531617757
                   +0 :              -0.00333326747858
                   +1 :               0.00072699359261
                   +2 :               0.00207118268559
              4 vec=     7.780163     -1.738956      2.510804   |vec|=    8.358172
                2s
                   +0 :              -0.00118686872059
                2p
                   -1 :               0.00075130107296
                   +0 :              -0.00066391359690
                   +1 :              -0.00053320888165
                3s
                   +0 :               0.00830396874706
                4s
                   +0 :              -0.00007094691709
                3p
                   -1 :              -0.00763588875493
                   +0 :               0.00879431267946
                   +1 :               0.00025356478670
                4p
                   -1 :               0.00147920830076
                   +0 :              -0.00087103131923
                   +1 :               0.00103595186639
                3d
                   -2 :              -0.00095477095759
                   -1 :              -0.00222411562788
                   +0 :               0.00174270294017
                   +1 :               0.00071359708447
                   +2 :              -0.00201196816647
              5 vec=    -7.780163      7.244802      2.510804   |vec|=   10.923471
                2s
                   +0 :              -0.00059257829789
                2p
                   -1 :              -0.00034501125356
                   +0 :              -0.00010546687154
                   +1 :               0.00020034322658
                3s
                   +0 :               0.00023448445198
                4s
                   +0 :               0.00009314170694
                3p
                   -1 :               0.00071917910172
                   +0 :               0.00064601860657
                   +1 :               0.00033465984679
                4p
                   -1 :               0.00001557375693
                   +0 :              -0.00017324483217
                   +1 :              -0.00016935667060
                3d
                   -2 :               0.00006464826283
                   -1 :               0.00007251680665
                   +0 :              -0.00022308190276
                   +1 :               0.00015037061617
                   +2 :              -0.00007814687733
              6 vec=     7.780163      7.244802      2.510804   |vec|=   10.923471
                2s
                   +0 :               0.00010778295959
                2p
                   -1 :              -0.00018412001125
                   +0 :              -0.00003246909487
                   +1 :               0.00005208596960
                3s
                   +0 :               0.00022865061541
                4s
                   +0 :               0.00017122660095
                3p
                   -1 :               0.00107687658294
                   +0 :               0.00037127589033
                   +1 :               0.00017644048262
                4p
                   -1 :              -0.00021948049513
                   +0 :              -0.00004812346678
                   +1 :              -0.00001349180755
                3d
                   -2 :               0.00025774041983
                   -1 :              -0.00006705214815
                   +0 :              -0.00015050339813
                   +1 :               0.00040794073576
                   +2 :              -0.00028871093446
              7 vec=     0.000000     11.736681      2.510804   |vec|=   12.002242
                2s
                   +0 :              -0.00013119246353
                2p
                   -1 :               0.00001911733258
                   +0 :               0.00008827106020
                   +1 :               0.00002350613896
                3s
                   +0 :               0.00035760732653
                4s
                   +0 :              -0.00002300939009
                3p
                   -1 :              -0.00012041384295
                   +0 :              -0.00034580220170
                   +1 :               0.00004830042110
                4p
                   -1 :               0.00005561901306
                   +0 :               0.00004553416906
                   +1 :               0.00013298471539
                3d
                   -2 :               0.00033612018549
                   -1 :              -0.00004296031926
                   +0 :              -0.00009908166559
                   +1 :               0.00018213271154
                   +2 :               0.00017198917675
              8 vec=    -7.780163    -10.722714      2.510804   |vec|=   13.483756
                2s
                   +0 :               0.00011644817838
                2p
                   -1 :               0.00002685331945
                   +0 :               0.00009322324474
                   +1 :              -0.00008800763569
                3s
                   +0 :              -0.00106396717186
                4s
                   +0 :               0.00030116335016
                3p
                   -1 :              -0.00001819124775
                   +0 :              -0.00085947106248
                   +1 :               0.00083197799106
                4p
                   -1 :              -0.00004357674666
                   +0 :               0.00016076254864
                   +1 :              -0.00017358932211
                3d
                   -2 :              -0.00015529547221
                   -1 :               0.00019232259788
                   +0 :              -0.00016201129101
                   +1 :               0.00020728441820
                   +2 :              -0.00014658254800
              9 vec=     7.780163    -10.722714      2.510804   |vec|=   13.483756
                2s
                   +0 :              -0.00002967255909
                2p
                   -1 :               0.00020195458095
                   +0 :               0.00015173267041
                   +1 :               0.00022758919266
                3s
                   +0 :               0.00048632738202
                4s
                   +0 :              -0.00002871174882
                3p
                   -1 :              -0.00113536413906
                   +0 :              -0.00010444244968
                   +1 :              -0.00087124603942
                4p
                   -1 :               0.00029830894240
                   +0 :              -0.00002052167777
                   +1 :               0.00029197501265
                3d
                   -2 :              -0.00001665955689
                   -1 :              -0.00001268424813
                   +0 :              -0.00005984452647
                   +1 :              -0.00000360350068
                   +2 :              -0.00039646279691
             10 vec=     0.000000    -15.214593      2.510804   |vec|=   15.420376
                2s
                   +0 :               0.00007111506191
                2p
                   -1 :              -0.00003375557066
                   +0 :               0.00003488604197
                   +1 :              -0.00002183737512
                3s
                   +0 :              -0.00024778839966
                4s
                   +0 :               0.00005806968100
                3p
                   -1 :               0.00012112125016
                   +0 :              -0.00022285676493
                   +1 :               0.00007692761306
                4p
                   -1 :              -0.00001473676167
                   +0 :               0.00007716705652
                   +1 :              -0.00000382712975
                3d
                   -2 :              -0.00000756652430
                   -1 :               0.00003782885119
                   +0 :               0.00002862030647
                   +1 :              -0.00000815573581
                   +2 :              -0.00001901469802
             11 vec=   -15.560325      2.752923      2.510804   |vec|=   16.000201
                2s
                   +0 :               0.00004187709589
                2p
                   -1 :               0.00003004682518
                   +0 :              -0.00004871594260
                   +1 :              -0.00005309218900
                3s
                   +0 :              -0.00018608418633
                4s
                   +0 :               0.00006229766926
                3p
                   -1 :              -0.00019106590804
                   +0 :               0.00027291350260
                   +1 :               0.00019453819129
                4p
                   -1 :               0.00005426551551
                   +0 :              -0.00005825885582
                   +1 :              -0.00007006078125
                3d
                   -2 :               0.00002676740163
                   -1 :               0.00000856865124
                   +0 :               0.00003729071982
                   +1 :              -0.00003535689512
                   +2 :               0.00002143570941
             12 vec=    15.560325      2.752923      2.510804   |vec|=   16.000201
                2s
                   +0 :              -0.00001988347935
                2p
                   -1 :              -0.00005081274686
                   +0 :               0.00004557608167
                   +1 :              -0.00004150926166
                3s
                   +0 :               0.00011834566800
                4s
                   +0 :              -0.00013036350715
                3p
                   -1 :               0.00022114716221
                   +0 :              -0.00020884165497
                   +1 :               0.00022357246483
                4p
                   -1 :              -0.00007109944965
                   +0 :               0.00003514544438
                   +1 :              -0.00011412701996
                3d
                   -2 :               0.00002783930000
                   -1 :               0.00005496502784
                   +0 :               0.00000565704376
                   +1 :              -0.00003824275235
                   +2 :               0.00005289630051
             13 vec=   -15.560325     -6.230835      2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00006635961855
                2p
                   -1 :              -0.00000242468954
                   +0 :              -0.00003018828181
                   +1 :               0.00003788973662
                3s
                   +0 :               0.00012435471514
                4s
                   +0 :              -0.00006618469048
                3p
                   -1 :              -0.00001988740999
                   +0 :               0.00010327280367
                   +1 :              -0.00014024724471
                4p
                   -1 :               0.00001413942460
                   +0 :              -0.00004212865320
                   +1 :               0.00003616344305
                3d
                   -2 :              -0.00000248467496
                   -1 :              -0.00004003032891
                   +0 :               0.00000525011862
                   +1 :               0.00000089236224
                   +2 :              -0.00001126409615
             14 vec=    15.560325     -6.230835      2.510804   |vec|=   16.948486
                2s
                   +0 :              -0.00004728240565
                2p
                   -1 :              -0.00001121307681
                   +0 :               0.00000111939835
                   +1 :              -0.00001984436239
                3s
                   +0 :               0.00029224798167
                4s
                   +0 :              -0.00012256125015
                3p
                   -1 :               0.00000967334105
                   +0 :               0.00007242966756
                   +1 :               0.00011423590426
                4p
                   -1 :               0.00003945393501
                   +0 :              -0.00001981578171
                   +1 :              -0.00002914508655
                3d
                   -2 :              -0.00001663686028
                   -1 :              -0.00001731078225
                   +0 :               0.00002582252758
                   +1 :               0.00002624578651
                   +2 :               0.00001366217902
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 13)  npairs=  14
              1 vec=    -0.209546     -3.115268     -4.091257   |vec|=    5.146570
                1s
                   +0 :              -0.00142432191472
                2s
                   +0 :               0.00438526303944
                3s
                   +0 :              -0.00482465794129
                2p
                   -1 :              -0.00842532980185
                   +0 :               0.00094949152456
                   +1 :              -0.00444412800980
                3p
                   -1 :               0.00816351564629
                   +0 :               0.00115566815680
                   +1 :              -0.00385557206300
                3d
                   -2 :               0.00101027861944
                   -1 :              -0.00058637110932
                   +0 :              -0.00046979776987
                   +1 :               0.00147683129061
                   +2 :               0.00020111441667
              2 vec=    -0.209546      5.868490     -4.091257   |vec|=    7.156918
                1s
                   +0 :              -0.00038995939721
                2s
                   +0 :               0.00325430353333
                3s
                   +0 :              -0.00138969946846
                2p
                   -1 :               0.00222430316205
                   +0 :              -0.00138542524691
                   +1 :               0.00429990909100
                3p
                   -1 :              -0.00115901974358
                   +0 :               0.00089290164052
                   +1 :              -0.00477187746041
                3d
                   -2 :              -0.00007076381472
                   -1 :               0.00002842145690
                   +0 :              -0.00001725855614
                   +1 :              -0.00005731134239
                   +2 :               0.00011330490907
              3 vec=     7.570617      1.376611     -4.091257   |vec|=    8.714797
                1s
                   +0 :               0.00015685322737
                2s
                   +0 :              -0.00178415254623
                3s
                   +0 :               0.00093845124655
                2p
                   -1 :              -0.00008662085259
                   +0 :              -0.00070426248348
                   +1 :               0.00063566783879
                3p
                   -1 :               0.00041229269088
                   +0 :               0.00010839356774
                   +1 :              -0.00054218602481
                3d
                   -2 :               0.00000192614555
                   -1 :               0.00000107418750
                   +0 :              -0.00000592378584
                   +1 :               0.00001340757469
                   +2 :              -0.00013118926307
              4 vec=    -7.989708      1.376611     -4.091257   |vec|=    9.081238
                1s
                   +0 :               0.00023721690675
                2s
                   +0 :              -0.00094505708981
                3s
                   +0 :               0.00043172276670
                2p
                   -1 :              -0.00166011760016
                   +0 :               0.00390523570031
                   +1 :              -0.00024980196297
                3p
                   -1 :               0.00067147258868
                   +0 :              -0.00225332717828
                   +1 :               0.00059623998943
                3d
                   -2 :              -0.00004287746230
                   -1 :              -0.00007070229626
                   +0 :              -0.00000763150817
                   +1 :               0.00003900151361
                   +2 :               0.00000627302189
              5 vec=     7.570617     -7.607147     -4.091257   |vec|=   11.485700
                1s
                   +0 :              -0.00001045288751
                2s
                   +0 :               0.00048229027043
                3s
                   +0 :              -0.00006374899022
                2p
                   -1 :              -0.00041847279131
                   +0 :               0.00024756068814
                   +1 :               0.00053654634584
                3p
                   -1 :               0.00007118694853
                   +0 :              -0.00025581666506
                   +1 :              -0.00038449641802
                3d
                   -2 :              -0.00001405959663
                   -1 :               0.00009600316779
                   +0 :               0.00002487907204
                   +1 :              -0.00001254437232
                   +2 :              -0.00004796655435
              6 vec=    -7.989708     -7.607147     -4.091257   |vec|=   11.766159
                1s
                   +0 :               0.00002664679534
                2s
                   +0 :              -0.00040793518762
                3s
                   +0 :               0.00007393874105
                2p
                   -1 :              -0.00076069111916
                   +0 :               0.00111418882753
                   +1 :               0.00037256997842
                3p
                   -1 :               0.00081552613762
                   +0 :              -0.00082238780014
                   +1 :              -0.00035907563604
                3d
                   -2 :              -0.00004739470641
                   -1 :               0.00006657515714
                   +0 :              -0.00009532971549
                   +1 :               0.00003810623935
                   +2 :               0.00004551418531
              7 vec=    -0.209546    -12.099026     -4.091257   |vec|=   12.773751
                1s
                   +0 :               0.00001200844843
                2s
                   +0 :              -0.00004390085050
                3s
                   +0 :               0.00007021134003
                2p
                   -1 :              -0.00008183223299
                   +0 :              -0.00052545672980
                   +1 :               0.00019731723248
                3p
                   -1 :               0.00003084260580
                   +0 :               0.00038036547425
                   +1 :              -0.00007200636206
                3d
                   -2 :              -0.00002021178968
                   -1 :              -0.00000399212775
                   +0 :              -0.00000803435162
                   +1 :              -0.00002165605986
                   +2 :              -0.00004033943766
              8 vec=     7.570617     10.360369     -4.091257   |vec|=   13.468106
                1s
                   +0 :              -0.00008512085817
                2s
                   +0 :               0.00087268665867
                3s
                   +0 :              -0.00017622178503
                2p
                   -1 :               0.00038603882122
                   +0 :              -0.00054630869263
                   +1 :               0.00031773091738
                3p
                   -1 :              -0.00022702466261
                   +0 :               0.00012739956905
                   +1 :              -0.00015844953952
                3d
                   -2 :               0.00002281731094
                   -1 :              -0.00000076908014
                   +0 :               0.00002444800562
                   +1 :               0.00000754046174
                   +2 :               0.00001086312110
              9 vec=    -7.989708     10.360369     -4.091257   |vec|=   13.708066
                1s
                   +0 :              -0.00003607010762
                2s
                   +0 :              -0.00001304725180
                3s
                   +0 :              -0.00017494744019
                2p
                   -1 :               0.00010820970056
                   +0 :               0.00016583625360
                   +1 :              -0.00005194341800
                3p
                   -1 :              -0.00022986242655
                   +0 :               0.00006849505553
                   +1 :               0.00016946804058
                3d
                   -2 :               0.00001747336819
                   -1 :              -0.00000648198339
                   +0 :              -0.00000947285369
                   +1 :              -0.00000727716803
                   +2 :               0.00000941449910
             10 vec=    -0.209546     14.852248     -4.091257   |vec|=   15.406868
                1s
                   +0 :              -0.00001234906105
                2s
                   +0 :               0.00010619938346
                3s
                   +0 :              -0.00003664999406
                2p
                   -1 :               0.00004359260860
                   +0 :              -0.00006029018566
                   +1 :              -0.00009235338938
                3p
                   -1 :              -0.00001606413866
                   +0 :               0.00002369841721
                   +1 :               0.00001033313981
                3d
                   -2 :              -0.00000176588922
                   -1 :               0.00000244940633
                   +0 :              -0.00000505988443
                   +1 :              -0.00000513391434
                   +2 :              -0.00000456271114
             11 vec=    15.350780     -3.115268     -4.091257   |vec|=   16.189185
                1s
                   +0 :               0.00001031642656
                2s
                   +0 :               0.00005103253704
                3s
                   +0 :               0.00002486179661
                2p
                   -1 :               0.00002148354618
                   +0 :              -0.00002823051356
                   +1 :               0.00008521176205
                3p
                   -1 :              -0.00005333624586
                   +0 :              -0.00000118601102
                   +1 :               0.00002742852222
                3d
                   -2 :               0.00000017760202
                   -1 :               0.00000308812389
                   +0 :              -0.00001491897935
                   +1 :               0.00000439687800
                   +2 :              -0.00000235620677
             12 vec=   -15.769871     -3.115268     -4.091257   |vec|=   16.587107
                1s
                   +0 :               0.00005070395147
                2s
                   +0 :              -0.00034966948939
                3s
                   +0 :               0.00011161885360
                2p
                   -1 :               0.00006223539700
                   +0 :              -0.00009809863911
                   +1 :               0.00026362800939
                3p
                   -1 :              -0.00002093358725
                   +0 :               0.00017711342878
                   +1 :              -0.00005600054455
                3d
                   -2 :              -0.00001060266255
                   -1 :              -0.00001230296701
                   +0 :               0.00000251176646
                   +1 :              -0.00000856895515
                   +2 :               0.00000475361476
             13 vec=    15.350780      5.868490     -4.091257   |vec|=   16.935879
                1s
                   +0 :              -0.00002004239571
                2s
                   +0 :               0.00012257775537
                3s
                   +0 :              -0.00005584364809
                2p
                   -1 :               0.00003122695289
                   +0 :              -0.00005655508034
                   +1 :               0.00011527397290
                3p
                   -1 :              -0.00002625963407
                   +0 :              -0.00000750016603
                   +1 :              -0.00005685020581
                3d
                   -2 :               0.00000087679440
                   -1 :              -0.00000822927187
                   +0 :               0.00000446781320
                   +1 :               0.00000252645573
                   +2 :               0.00000575947854
             14 vec=   -15.769871      5.868490     -4.091257   |vec|=   17.316651
                1s
                   +0 :               0.00001782478714
                2s
                   +0 :              -0.00011706981572
                3s
                   +0 :               0.00004259517837
                2p
                   -1 :               0.00005270154898
                   +0 :              -0.00001622884366
                   +1 :               0.00008183857651
                3p
                   -1 :              -0.00006781126414
                   +0 :               0.00006934271485
                   +1 :               0.00001017625360
                3d
                   -2 :              -0.00000286303451
                   -1 :              -0.00000263356879
                   +0 :              -0.00000176137535
                   +1 :               0.00000026602199
                   +2 :              -0.00000667853684
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 14)  npairs=  14
              1 vec=     2.802933      1.376611     -4.091257   |vec|=    5.146832
                1s
                   +0 :              -0.00213011657355
                2s
                   +0 :               0.03942600006034
                3s
                   +0 :              -0.00381590243847
                2p
                   -1 :               0.01086125957208
                   +0 :              -0.02429827062511
                   +1 :               0.01159795120976
                3p
                   -1 :              -0.00063471915357
                   +0 :              -0.00057325811266
                   +1 :               0.00031078689577
                3d
                   -2 :               0.00046527286424
                   -1 :              -0.00189496439387
                   +0 :               0.00150125614144
                   +1 :              -0.00065243316626
                   +2 :              -0.00025358827901
              2 vec=    -4.977229     -3.115268     -4.091257   |vec|=    7.156542
                1s
                   +0 :               0.00118348663801
                2s
                   +0 :              -0.01008929299462
                3s
                   +0 :               0.00518927369536
                2p
                   -1 :               0.00496521530238
                   +0 :               0.01023516665594
                   +1 :               0.01101728382822
                3p
                   -1 :              -0.00395921836952
                   +0 :              -0.00695666021548
                   +1 :              -0.00812943388954
                3d
                   -2 :               0.00036535331799
                   -1 :               0.00047929138295
                   +0 :               0.00056683384232
                   +1 :               0.00096793349375
                   +2 :               0.00020034700576
              3 vec=    -4.977229      5.868490     -4.091257   |vec|=    8.714951
                1s
                   +0 :               0.00001421787963
                2s
                   +0 :               0.00009198901001
                3s
                   +0 :              -0.00009096713708
                2p
                   -1 :              -0.00189338721929
                   +0 :               0.00144450541591
                   +1 :               0.00085065653350
                3p
                   -1 :               0.00146455477206
                   +0 :              -0.00021149810156
                   +1 :              -0.00028663002435
                3d
                   -2 :              -0.00017050194594
                   -1 :              -0.00012218116351
                   +0 :              -0.00004561069866
                   +1 :               0.00000501080515
                   +2 :              -0.00004405541576
              4 vec=     2.802933     -7.607147     -4.091257   |vec|=    9.080942
                1s
                   +0 :              -0.00024714218908
                2s
                   +0 :               0.00123185583816
                3s
                   +0 :              -0.00046039258780
                2p
                   -1 :               0.00142958571053
                   +0 :              -0.00204554030612
                   +1 :              -0.00054914718930
                3p
                   -1 :              -0.00115952299327
                   +0 :               0.00047231079100
                   +1 :              -0.00006719634681
                3d
                   -2 :              -0.00004467009100
                   -1 :               0.00020461500013
                   +0 :              -0.00001385039492
                   +1 :              -0.00007107038415
                   +2 :              -0.00014949270375
              5 vec=     2.802933     10.360369     -4.091257   |vec|=   11.486169
                1s
                   +0 :              -0.00004665016519
                2s
                   +0 :               0.00041918705533
                3s
                   +0 :               0.00008171138243
                2p
                   -1 :               0.00034740641050
                   +0 :               0.00043174935940
                   +1 :              -0.00063473140560
                3p
                   -1 :               0.00023510129489
                   +0 :              -0.00055044181575
                   +1 :               0.00052584190661
                3d
                   -2 :               0.00002419984311
                   -1 :              -0.00006569063148
                   +0 :              -0.00006644010796
                   +1 :               0.00004595276076
                   +2 :              -0.00004409787700
              6 vec=    10.583096     -3.115268     -4.091257   |vec|=   11.766274
                1s
                   +0 :              -0.00002558989212
                2s
                   +0 :               0.00034264553359
                3s
                   +0 :               0.00004890330055
                2p
                   -1 :              -0.00023007833659
                   +0 :              -0.00061805685680
                   +1 :               0.00091897389745
                3p
                   -1 :               0.00008059777716
                   +0 :               0.00045987217354
                   +1 :              -0.00062774756455
                3d
                   -2 :               0.00000132713797
                   -1 :               0.00000408535189
                   +0 :              -0.00007391252503
                   +1 :               0.00002379998903
                   +2 :               0.00003519549453
              7 vec=    10.583096      5.868490     -4.091257   |vec|=   12.774172
                1s
                   +0 :              -0.00000375901774
                2s
                   +0 :               0.00031225658497
                3s
                   +0 :              -0.00003457717634
                2p
                   -1 :               0.00005914850394
                   +0 :               0.00019249844448
                   +1 :              -0.00024003199140
                3p
                   -1 :               0.00005878258605
                   +0 :              -0.00030264731782
                   +1 :               0.00033534214617
                3d
                   -2 :               0.00001933206508
                   -1 :               0.00000972292859
                   +0 :              -0.00000411955961
                   +1 :              -0.00000408077933
                   +2 :               0.00000558151644
              8 vec=   -12.757392      1.376611     -4.091257   |vec|=   13.467906
                1s
                   +0 :              -0.00000501693106
                2s
                   +0 :              -0.00032317368321
                3s
                   +0 :              -0.00017957438980
                2p
                   -1 :               0.00006996049651
                   +0 :               0.00018964196882
                   +1 :              -0.00015963558830
                3p
                   -1 :              -0.00021504978365
                   +0 :               0.00018422018764
                   +1 :               0.00024838354716
                3d
                   -2 :               0.00004519544413
                   -1 :               0.00003487598117
                   +0 :              -0.00005077997568
                   +1 :              -0.00003284386419
                   +2 :               0.00000366534266
              9 vec=    -4.977229    -12.099026     -4.091257   |vec|=   13.707575
                1s
                   +0 :              -0.00012948583008
                2s
                   +0 :               0.00065669291369
                3s
                   +0 :              -0.00040711888676
                2p
                   -1 :               0.00028411176407
                   +0 :              -0.00018787560048
                   +1 :               0.00006553670211
                3p
                   -1 :              -0.00029604773590
                   +0 :               0.00016186640373
                   +1 :              -0.00011623530710
                3d
                   -2 :              -0.00000750690370
                   -1 :               0.00001115959066
                   +0 :              -0.00000963420162
                   +1 :              -0.00000502713872
                   +2 :              -0.00002457616408
             10 vec=   -12.757392     -7.607147     -4.091257   |vec|=   15.406431
                1s
                   +0 :               0.00000131121847
                2s
                   +0 :              -0.00005338986178
                3s
                   +0 :              -0.00007399837057
                2p
                   -1 :               0.00012075446930
                   +0 :              -0.00001988051292
                   +1 :              -0.00004097261970
                3p
                   -1 :              -0.00004049375351
                   +0 :               0.00005478405806
                   +1 :               0.00009877896837
                3d
                   -2 :              -0.00000037239656
                   -1 :               0.00000134677132
                   +0 :               0.00000884219159
                   +1 :              -0.00000934774325
                   +2 :              -0.00001687093388
             11 vec=    -4.977229     14.852248     -4.091257   |vec|=   16.189517
                1s
                   +0 :               0.00001198742705
                2s
                   +0 :              -0.00006182381506
                3s
                   +0 :               0.00003918471896
                2p
                   -1 :              -0.00019478994349
                   +0 :              -0.00012887705904
                   +1 :               0.00002954637866
                3p
                   -1 :               0.00011919471846
                   +0 :               0.00010923094011
                   +1 :              -0.00007618593960
                3d
                   -2 :              -0.00000698611184
                   -1 :               0.00000352564980
                   +0 :              -0.00000033875258
                   +1 :              -0.00000399274717
                   +2 :              -0.00000739620324
             12 vec=    10.583096    -12.099026     -4.091257   |vec|=   16.586945
                1s
                   +0 :              -0.00001677101340
                2s
                   +0 :               0.00016056298084
                3s
                   +0 :              -0.00005000629544
                2p
                   -1 :              -0.00001508796283
                   +0 :              -0.00000667158778
                   +1 :               0.00001146748747
                3p
                   -1 :              -0.00005929409535
                   +0 :              -0.00001518476545
                   +1 :               0.00000507976763
                3d
                   -2 :              -0.00000149681396
                   -1 :              -0.00000775570786
                   +0 :              -0.00000148134177
                   +1 :               0.00000500074502
                   +2 :              -0.00001190603422
             13 vec=   -12.757392     10.360369     -4.091257   |vec|=   16.935958
                1s
                   +0 :               0.00000299294128
                2s
                   +0 :              -0.00003022890087
                3s
                   +0 :              -0.00002506699819
                2p
                   -1 :               0.00003173494819
                   +0 :               0.00000080405254
                   +1 :              -0.00003796494669
                3p
                   -1 :              -0.00006409069079
                   +0 :               0.00000556621877
                   +1 :               0.00007837526466
                3d
                   -2 :               0.00000952475077
                   -1 :               0.00000336984740
                   +0 :              -0.00000129318978
                   +1 :               0.00000438648862
                   +2 :               0.00000576945128
             14 vec=     2.802933    -16.590905     -4.091257   |vec|=   17.316262
                1s
                   +0 :               0.00000440747765
                2s
                   +0 :              -0.00003371964198
                3s
                   +0 :               0.00001311193082
                2p
                   -1 :               0.00001289431800
                   +0 :               0.00002293063257
                   +1 :              -0.00001710087001
                3p
                   -1 :              -0.00001374561141
                   +0 :               0.00002748411115
                   +1 :               0.00002200730564
                3d
                   -2 :               0.00000223238037
                   -1 :              -0.00000189562970
                   +0 :              -0.00000210934251
                   +1 :              -0.00000250338791
                   +2 :               0.00000265905949
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 15)  npairs=  14
              1 vec=    -2.593388      1.013667     -4.091257   |vec|=    4.948895
                1s
                   +0 :               0.00160583814099
                2s
                   +0 :              -0.04838053978801
                3s
                   +0 :               0.00324783464367
                2p
                   -1 :              -0.00549109555045
                   +0 :               0.03435306788669
                   +1 :               0.00873022529393
                3p
                   -1 :              -0.00294400627565
                   +0 :              -0.00462436559989
                   +1 :              -0.00329441832721
                3d
                   -2 :               0.00089142804160
                   -1 :               0.00126372042932
                   +0 :              -0.00171417242886
                   +1 :               0.00008065468832
                   +2 :               0.00009934262193
              2 vec=     5.186775     -3.478212     -4.091257   |vec|=    7.465854
                1s
                   +0 :               0.00003358564956
                2s
                   +0 :               0.00011391494979
                3s
                   +0 :              -0.00025070419594
                2p
                   -1 :              -0.00098501909428
                   +0 :               0.00194203879192
                   +1 :               0.00467763931789
                3p
                   -1 :              -0.00065646692547
                   +0 :              -0.00317068878649
                   +1 :              -0.00314423279237
                3d
                   -2 :               0.00029043236081
                   -1 :              -0.00030167835800
                   +0 :               0.00034796976074
                   +1 :               0.00023758721505
                   +2 :              -0.00007252799743
              3 vec=     5.186775      5.505546     -4.091257   |vec|=    8.599538
                1s
                   +0 :               0.00006374677443
                2s
                   +0 :              -0.00116677007462
                3s
                   +0 :               0.00093979551793
                2p
                   -1 :              -0.00100225587127
                   +0 :               0.00319051086598
                   +1 :              -0.00012098199691
                3p
                   -1 :               0.00100507228511
                   +0 :              -0.00242061717475
                   +1 :               0.00034007523173
                3d
                   -2 :               0.00000164833716
                   -1 :              -0.00009685426459
                   +0 :               0.00012233704361
                   +1 :              -0.00011100920639
                   +2 :              -0.00000090538237
              4 vec=    -2.593388     -7.970091     -4.091257   |vec|=    9.326649
                1s
                   +0 :               0.00043762553652
                2s
                   +0 :              -0.00246214307328
                3s
                   +0 :               0.00114655811810
                2p
                   -1 :               0.00256177473030
                   +0 :               0.00106495256004
                   +1 :              -0.00132236391355
                3p
                   -1 :              -0.00198544182395
                   +0 :               0.00043641099219
                   +1 :               0.00103233540193
                3d
                   -2 :               0.00003293256944
                   -1 :              -0.00001523437238
                   +0 :              -0.00016445385914
                   +1 :               0.00004681279764
                   +2 :              -0.00020029532395
              5 vec=    -2.593388      9.997425     -4.091257   |vec|=   11.109120
                1s
                   +0 :              -0.00008208114611
                2s
                   +0 :               0.00036992071887
                3s
                   +0 :              -0.00026394144784
                2p
                   -1 :               0.00050074658597
                   +0 :               0.00008684929307
                   +1 :              -0.00036701657440
                3p
                   -1 :              -0.00069562735753
                   +0 :               0.00012583808185
                   +1 :               0.00014423409994
                3d
                   -2 :               0.00002033893504
                   -1 :               0.00002251229832
                   +0 :               0.00004986110435
                   +1 :               0.00000701874512
                   +2 :               0.00004865936942
              6 vec=   -10.373550     -3.478212     -4.091257   |vec|=   11.681048
                1s
                   +0 :              -0.00011903707728
                2s
                   +0 :               0.00040268405123
                3s
                   +0 :              -0.00036320428134
                2p
                   -1 :              -0.00038208076641
                   +0 :              -0.00006751702540
                   +1 :              -0.00011316342739
                3p
                   -1 :               0.00061390755375
                   +0 :               0.00010188142578
                   +1 :               0.00036880233029
                3d
                   -2 :              -0.00003842616786
                   -1 :               0.00004426986285
                   +0 :               0.00008603511126
                   +1 :               0.00000430464596
                   +2 :              -0.00009551819044
              7 vec=   -10.373550      5.505546     -4.091257   |vec|=   12.436236
                1s
                   +0 :               0.00003147044451
                2s
                   +0 :              -0.00062519562011
                3s
                   +0 :               0.00008356406888
                2p
                   -1 :              -0.00070670572992
                   +0 :               0.00030074485557
                   +1 :               0.00059471013652
                3p
                   -1 :               0.00058734732925
                   +0 :              -0.00044465550268
                   +1 :              -0.00043191438860
                3d
                   -2 :              -0.00003444651297
                   -1 :              -0.00003337580611
                   +0 :               0.00000627088026
                   +1 :               0.00006154944568
                   +2 :              -0.00002502791441
              8 vec=    12.966938      1.013667     -4.091257   |vec|=   13.634786
                1s
                   +0 :               0.00001687163839
                2s
                   +0 :               0.00034648807082
                3s
                   +0 :               0.00017605121261
                2p
                   -1 :              -0.00025237252583
                   +0 :              -0.00056046682631
                   +1 :               0.00004090529191
                3p
                   -1 :               0.00038927198661
                   +0 :              -0.00003965348267
                   +1 :               0.00020656829720
                3d
                   -2 :               0.00001668714620
                   -1 :              -0.00002357639005
                   +0 :               0.00000749858726
                   +1 :              -0.00002506043716
                   +2 :               0.00001677913354
              9 vec=     5.186775    -12.461970     -4.091257   |vec|=   14.104670
                1s
                   +0 :              -0.00002722230344
                2s
                   +0 :               0.00021032172520
                3s
                   +0 :              -0.00009396890457
                2p
                   -1 :              -0.00028650670189
                   +0 :              -0.00021461151002
                   +1 :              -0.00014179084746
                3p
                   -1 :               0.00025604076468
                   +0 :               0.00009162079377
                   +1 :               0.00001922461793
                3d
                   -2 :               0.00002380010995
                   -1 :              -0.00000885274708
                   +0 :               0.00002030992168
                   +1 :               0.00000767497044
                   +2 :               0.00002413028627
             10 vec=    12.966938     -7.970091     -4.091257   |vec|=   15.760781
                1s
                   +0 :               0.00000254923133
                2s
                   +0 :               0.00003102040543
                3s
                   +0 :               0.00003621373128
                2p
                   -1 :              -0.00000789793291
                   +0 :              -0.00005881179625
                   +1 :               0.00010828974408
                3p
                   -1 :              -0.00006346519727
                   +0 :              -0.00002775291571
                   +1 :              -0.00004562481417
                3d
                   -2 :              -0.00000783816646
                   -1 :              -0.00000179495935
                   +0 :              -0.00000050410111
                   +1 :               0.00000595973597
                   +2 :              -0.00000297842414
             11 vec=     5.186775     14.489304     -4.091257   |vec|=   15.924226
                1s
                   +0 :              -0.00001886326036
                2s
                   +0 :               0.00017913666551
                3s
                   +0 :              -0.00005277012204
                2p
                   -1 :               0.00019142700801
                   +0 :              -0.00004498186552
                   +1 :              -0.00000690672000
                3p
                   -1 :              -0.00009536668911
                   +0 :               0.00004714741482
                   +1 :               0.00002092597100
                3d
                   -2 :               0.00000473815911
                   -1 :               0.00000237994652
                   +0 :               0.00000251126012
                   +1 :              -0.00000506846201
                   +2 :               0.00001079734097
             12 vec=   -10.373550    -12.461970     -4.091257   |vec|=   16.722728
                1s
                   +0 :              -0.00000110572976
                2s
                   +0 :              -0.00000414036932
                3s
                   +0 :              -0.00001090467067
                2p
                   -1 :               0.00033531634201
                   +0 :               0.00008399155666
                   +1 :              -0.00004989881013
                3p
                   -1 :              -0.00024798157706
                   +0 :              -0.00001565969661
                   +1 :               0.00004990124125
                3d
                   -2 :               0.00001478857522
                   -1 :               0.00000599204943
                   +0 :              -0.00000688566415
                   +1 :               0.00000082854450
                   +2 :              -0.00000698024761
             13 vec=    12.966938      9.997425     -4.091257   |vec|=   16.876859
                1s
                   +0 :              -0.00001974061524
                2s
                   +0 :               0.00012457800082
                3s
                   +0 :              -0.00006547963863
                2p
                   -1 :               0.00013271804416
                   +0 :              -0.00005970443742
                   +1 :               0.00005107382778
                3p
                   -1 :              -0.00008089432281
                   +0 :               0.00000879235477
                   +1 :              -0.00001195727344
                3d
                   -2 :              -0.00000395215561
                   -1 :               0.00000486852198
                   +0 :               0.00000042609497
                   +1 :              -0.00000207822450
                   +2 :               0.00000671264078
             14 vec=    -2.593388    -16.953849     -4.091257   |vec|=   17.632272
                1s
                   +0 :              -0.00000128109748
                2s
                   +0 :               0.00001994727066
                3s
                   +0 :              -0.00000522018439
                2p
                   -1 :              -0.00008177466796
                   +0 :              -0.00002734737291
                   +1 :               0.00005230653470
                3p
                   -1 :               0.00007994248674
                   +0 :               0.00001600298369
                   +1 :              -0.00005684532096
                3d
                   -2 :               0.00000788710094
                   -1 :               0.00000143500763
                   +0 :               0.00000653097577
                   +1 :               0.00000109702176
                   +2 :               0.00000686296871
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 16)  npairs=  15
              1 vec=    -4.977229     -0.362644      8.182514   |vec|=    9.584251
                1s
                   +0 :               0.00014207321889
                2s
                   +0 :              -0.00196153704467
                3s
                   +0 :               0.00007996456971
                2p
                   -1 :               0.00315623673247
                   +0 :              -0.00261117581699
                   +1 :               0.00019773260041
                3p
                   -1 :              -0.00097610072202
                   +0 :               0.00046088597370
                   +1 :               0.00046979344024
                3d
                   -2 :               0.00006774532575
                   -1 :               0.00010518994322
                   +0 :               0.00010151099236
                   +1 :               0.00007833870181
                   +2 :               0.00000556784474
              2 vec=     2.802933      4.129235      8.182514   |vec|=    9.584391
                1s
                   +0 :              -0.00016771404326
                2s
                   +0 :               0.00183211253348
                3s
                   +0 :               0.00001531600706
                2p
                   -1 :               0.00298119835392
                   +0 :               0.00198843824283
                   +1 :              -0.00104294112839
                3p
                   -1 :              -0.00065698623164
                   +0 :               0.00056959448136
                   +1 :               0.00080537320585
                3d
                   -2 :               0.00006462293010
                   -1 :               0.00007669153760
                   +0 :               0.00002968037190
                   +1 :               0.00008650001879
                   +2 :              -0.00012051928262
              3 vec=     2.802933     -4.854523      8.182514   |vec|=    9.918486
                1s
                   +0 :               0.00005767346986
                2s
                   +0 :              -0.00095303291373
                3s
                   +0 :               0.00017346454868
                2p
                   -1 :               0.00105143193880
                   +0 :              -0.00143943383436
                   +1 :               0.00094931607636
                3p
                   -1 :              -0.00080371071592
                   +0 :               0.00098853393439
                   +1 :              -0.00097429304443
                3d
                   -2 :               0.00000072113228
                   -1 :               0.00000891161430
                   +0 :              -0.00012658409464
                   +1 :              -0.00002436943383
                   +2 :               0.00005994579794
              4 vec=    -4.977229      8.621114      8.182514   |vec|=   12.886037
                1s
                   +0 :               0.00006364440412
                2s
                   +0 :              -0.00056473687332
                3s
                   +0 :               0.00019065097005
                2p
                   -1 :              -0.00027291760883
                   +0 :              -0.00000957072259
                   +1 :               0.00073739028390
                3p
                   -1 :               0.00015932769060
                   +0 :               0.00011082436720
                   +1 :              -0.00055414139773
                3d
                   -2 :               0.00000608675267
                   -1 :               0.00001097712148
                   +0 :               0.00002345427418
                   +1 :              -0.00004224247617
                   +2 :               0.00001495699109
              5 vec=    -4.977229     -9.346402      8.182514   |vec|=   13.382137
                1s
                   +0 :               0.00002692421666
                2s
                   +0 :              -0.00035917988830
                3s
                   +0 :               0.00013811242775
                2p
                   -1 :              -0.00004890323751
                   +0 :              -0.00028071639602
                   +1 :               0.00016808307368
                3p
                   -1 :               0.00005941962176
                   +0 :               0.00005668729462
                   +1 :              -0.00012420061844
                3d
                   -2 :               0.00000330289238
                   -1 :              -0.00001590734197
                   +0 :              -0.00000345246441
                   +1 :              -0.00001653850923
                   +2 :              -0.00004327260235
              6 vec=    10.583096     -0.362644      8.182514   |vec|=   13.382338
                1s
                   +0 :              -0.00001127759330
                2s
                   +0 :               0.00041104279060
                3s
                   +0 :               0.00000646374485
                2p
                   -1 :               0.00002943947369
                   +0 :              -0.00030379821406
                   +1 :               0.00002899204335
                3p
                   -1 :              -0.00012075787476
                   +0 :               0.00031700658456
                   +1 :               0.00025678799990
                3d
                   -2 :              -0.00003560406504
                   -1 :               0.00001542821701
                   +0 :              -0.00001124178651
                   +1 :              -0.00000223812660
                   +2 :               0.00000459004773
              7 vec=   -12.757392      4.129235      8.182514   |vec|=   15.708443
                1s
                   +0 :               0.00000554490358
                2s
                   +0 :              -0.00009925209870
                3s
                   +0 :              -0.00001497402146
                2p
                   -1 :              -0.00002557683829
                   +0 :              -0.00022742263130
                   +1 :               0.00019576402495
                3p
                   -1 :              -0.00002418309510
                   +0 :               0.00012399623019
                   +1 :              -0.00011885909141
                3d
                   -2 :              -0.00000084550516
                   -1 :              -0.00001130825826
                   +0 :               0.00000890887491
                   +1 :              -0.00001192375878
                   +2 :              -0.00000021687859
              8 vec=     2.802933     13.112993      8.182514   |vec|=   15.708614
                1s
                   +0 :              -0.00001788944279
                2s
                   +0 :               0.00012320649551
                3s
                   +0 :              -0.00005578374254
                2p
                   -1 :               0.00012160905321
                   +0 :               0.00013243688954
                   +1 :              -0.00022320138437
                3p
                   -1 :              -0.00008032801943
                   +0 :              -0.00006446937029
                   +1 :               0.00014254289430
                3d
                   -2 :              -0.00000094977199
                   -1 :              -0.00000118773183
                   +0 :              -0.00001078721432
                   +1 :               0.00001028491366
                   +2 :              -0.00000146522921
              9 vec=   -12.757392     -4.854523      8.182514   |vec|=   15.914490
                1s
                   +0 :              -0.00006629118644
                2s
                   +0 :               0.00041756558984
                3s
                   +0 :              -0.00023727669798
                2p
                   -1 :              -0.00002713510909
                   +0 :               0.00001501745560
                   +1 :              -0.00022339629605
                3p
                   -1 :               0.00001386512514
                   +0 :              -0.00003202694235
                   +1 :               0.00021007693919
                3d
                   -2 :               0.00000943738232
                   -1 :               0.00000867273734
                   +0 :              -0.00000116593124
                   +1 :              -0.00000621540415
                   +2 :              -0.00001558330914
             10 vec=    10.583096      8.621114      8.182514   |vec|=   15.914743
                1s
                   +0 :               0.00001886892951
                2s
                   +0 :              -0.00009368218058
                3s
                   +0 :               0.00007956415527
                2p
                   -1 :              -0.00009634887091
                   +0 :               0.00000744486491
                   +1 :               0.00008728623106
                3p
                   -1 :               0.00007002183587
                   +0 :               0.00000937330913
                   +1 :              -0.00005481537970
                3d
                   -2 :              -0.00001454078099
                   -1 :               0.00001234884302
                   +0 :               0.00000861259861
                   +1 :              -0.00000847404553
                   +2 :              -0.00000428513361
             11 vec=     2.802933    -13.838281      8.182514   |vec|=   16.318946
                1s
                   +0 :              -0.00002123863746
                2s
                   +0 :               0.00013308119107
                3s
                   +0 :              -0.00006529450604
                2p
                   -1 :              -0.00017158116085
                   +0 :               0.00000415086070
                   +1 :               0.00008761689927
                3p
                   -1 :               0.00013497057290
                   +0 :               0.00002401233375
                   +1 :              -0.00009823150733
                3d
                   -2 :               0.00000783097164
                   -1 :               0.00000372029098
                   +0 :               0.00001647342145
                   +1 :              -0.00000708336270
                   +2 :               0.00000733194906
             12 vec=    10.583096     -9.346402      8.182514   |vec|=   16.319029
                1s
                   +0 :               0.00004957380575
                2s
                   +0 :              -0.00024025661823
                3s
                   +0 :               0.00016925953044
                2p
                   -1 :               0.00017070283827
                   +0 :              -0.00010131551788
                   +1 :               0.00014790725265
                3p
                   -1 :              -0.00019488509727
                   +0 :               0.00011577907529
                   +1 :              -0.00009508538093
                3d
                   -2 :              -0.00000105452018
                   -1 :              -0.00001353070487
                   +0 :               0.00000406867572
                   +1 :               0.00000063012661
                   +2 :              -0.00000185628663
             13 vec=    -4.977229     -0.362644    -16.365028   |vec|=   17.109017
                1s
                   +0 :               0.00000101226522
                2s
                   +0 :              -0.00000207716603
                3s
                   +0 :               0.00001216635906
                2p
                   -1 :               0.00005071308457
                   +0 :               0.00002552322481
                   +1 :              -0.00006312484238
                3p
                   -1 :              -0.00004747242457
                   +0 :              -0.00000131790707
                   +1 :               0.00002678892020
                3d
                   -2 :               0.00000361203868
                   -1 :               0.00000119523742
                   +0 :               0.00000579524126
                   +1 :               0.00000309304829
                   +2 :              -0.00000171316507
             14 vec=     2.802933      4.129235    -16.365028   |vec|=   17.109096
                1s
                   +0 :              -0.00000075169965
                2s
                   +0 :              -0.00000377691088
                3s
                   +0 :               0.00000100526890
                2p
                   -1 :               0.00000765087225
                   +0 :               0.00001077434645
                   +1 :               0.00005972603866
                3p
                   -1 :              -0.00000645900693
                   +0 :               0.00001914991947
                   +1 :              -0.00004618134197
                3d
                   -2 :               0.00000228471940
                   -1 :               0.00000056304776
                   +0 :              -0.00000568016103
                   +1 :               0.00000168908676
                   +2 :               0.00000405161353
             15 vec=     2.802933     -4.854523    -16.365028   |vec|=   17.298468
                1s
                   +0 :              -0.00000422690214
                2s
                   +0 :               0.00007015407007
                3s
                   +0 :               0.00001309334137
                2p
                   -1 :              -0.00009436314486
                   +0 :               0.00004950669514
                   +1 :              -0.00008827230648
                3p
                   -1 :               0.00005637861785
                   +0 :              -0.00010526840815
                   +1 :               0.00003016223657
                3d
                   -2 :               0.00000238613158
                   -1 :               0.00000224731033
                   +0 :               0.00000604376364
                   +1 :               0.00000511092240
                   +2 :               0.00000099281157
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 17)  npairs=  14
              1 vec=    -0.209546     -0.362644      8.182514   |vec|=    8.193226
                1s
                   +0 :              -0.00033303505788
                2s
                   +0 :               0.00203808455608
                3s
                   +0 :              -0.00082581171470
                2p
                   -1 :               0.00086685516103
                   +0 :               0.00048782540220
                   +1 :              -0.00095658325861
                3p
                   -1 :              -0.00077962302342
                   +0 :               0.00015533718385
                   +1 :              -0.00052723037278
                3d
                   -2 :              -0.00001272843349
                   -1 :              -0.00002183310488
                   +0 :               0.00027208613447
                   +1 :              -0.00009480083339
                   +2 :              -0.00009441487311
              2 vec=     7.570617      4.129235      8.182514   |vec|=   11.887740
                1s
                   +0 :              -0.00000165298564
                2s
                   +0 :               0.00059631952365
                3s
                   +0 :               0.00010356878470
                2p
                   -1 :              -0.00052407036763
                   +0 :               0.00043835026893
                   +1 :               0.00028380041522
                3p
                   -1 :               0.00055550178576
                   +0 :               0.00016058030058
                   +1 :              -0.00011056058698
                3d
                   -2 :               0.00000574222474
                   -1 :               0.00000982878845
                   +0 :               0.00001058956969
                   +1 :               0.00001010234388
                   +2 :              -0.00004806169869
              3 vec=    -0.209546      8.621114      8.182514   |vec|=   11.887853
                1s
                   +0 :              -0.00001487632001
                2s
                   +0 :              -0.00008995167641
                3s
                   +0 :               0.00000759281297
                2p
                   -1 :              -0.00044680903166
                   +0 :              -0.00016534145811
                   +1 :              -0.00050334179421
                3p
                   -1 :               0.00023899176835
                   +0 :               0.00014736432983
                   +1 :               0.00014770693985
                3d
                   -2 :              -0.00005539733637
                   -1 :               0.00000315349101
                   +0 :               0.00000460873771
                   +1 :              -0.00002113715475
                   +2 :              -0.00000684165882
              4 vec=     7.570617     -4.854523      8.182514   |vec|=   12.158708
                1s
                   +0 :               0.00021860665509
                2s
                   +0 :              -0.00106300638735
                3s
                   +0 :               0.00072667687509
                2p
                   -1 :              -0.00128736299319
                   +0 :              -0.00052304644707
                   +1 :              -0.00145084000087
                3p
                   -1 :               0.00090173301534
                   +0 :               0.00048763490939
                   +1 :               0.00126368157111
                3d
                   -2 :               0.00001968213867
                   -1 :               0.00005049861265
                   +0 :               0.00005452594556
                   +1 :               0.00014067760057
                   +2 :               0.00006046272319
              5 vec=    -7.989708      4.129235      8.182514   |vec|=   12.158929
                1s
                   +0 :               0.00012036700408
                2s
                   +0 :              -0.00127665949831
                3s
                   +0 :               0.00036416698717
                2p
                   -1 :               0.00018190893678
                   +0 :              -0.00055084047943
                   +1 :               0.00101777711854
                3p
                   -1 :              -0.00042400054705
                   +0 :               0.00007644072723
                   +1 :              -0.00055632274575
                3d
                   -2 :              -0.00000300245842
                   -1 :               0.00000242164355
                   +0 :              -0.00003695055256
                   +1 :              -0.00003395306532
                   +2 :               0.00007853464981
              6 vec=    -0.209546     -9.346402      8.182514   |vec|=   12.423876
                1s
                   +0 :               0.00003533753420
                2s
                   +0 :              -0.00020291345241
                3s
                   +0 :               0.00006333642060
                2p
                   -1 :               0.00043999002710
                   +0 :               0.00027845811087
                   +1 :              -0.00053927990730
                3p
                   -1 :              -0.00029447909336
                   +0 :              -0.00035592686990
                   +1 :               0.00027067897919
                3d
                   -2 :              -0.00002285091459
                   -1 :               0.00002598573196
                   +0 :               0.00000304740400
                   +1 :              -0.00003207359389
                   +2 :              -0.00000559580294
              7 vec=    -7.989708     -4.854523      8.182514   |vec|=   12.423984
                1s
                   +0 :              -0.00004048463971
                2s
                   +0 :               0.00002952155029
                3s
                   +0 :              -0.00013598521527
                2p
                   -1 :               0.00061082249863
                   +0 :              -0.00068071748523
                   +1 :               0.00096897099078
                3p
                   -1 :              -0.00032897593085
                   +0 :               0.00051202178923
                   +1 :              -0.00077247621923
                3d
                   -2 :               0.00000835612148
                   -1 :              -0.00001316780695
                   +0 :               0.00000776662321
                   +1 :              -0.00004392254168
                   +2 :               0.00003540104637
              8 vec=    -0.209546     -0.362644    -16.365028   |vec|=   16.370387
                1s
                   +0 :              -0.00000920253478
                2s
                   +0 :               0.00006627362691
                3s
                   +0 :              -0.00002908057935
                2p
                   -1 :               0.00014182026498
                   +0 :               0.00002500650986
                   +1 :               0.00003523254874
                3p
                   -1 :              -0.00010414641932
                   +0 :              -0.00001876750586
                   +1 :              -0.00004980969055
                3d
                   -2 :              -0.00000779000502
                   -1 :               0.00000873984165
                   +0 :               0.00000665947947
                   +1 :               0.00000674518129
                   +2 :               0.00000162085741
              9 vec=     7.570617     13.112993      8.182514   |vec|=   17.210995
                1s
                   +0 :              -0.00002676743423
                2s
                   +0 :               0.00022476385694
                3s
                   +0 :              -0.00007414071701
                2p
                   -1 :               0.00010195209816
                   +0 :               0.00006845740594
                   +1 :               0.00000779734778
                3p
                   -1 :              -0.00000000780842
                   +0 :              -0.00003477388759
                   +1 :               0.00000127624647
                3d
                   -2 :               0.00000545579650
                   -1 :               0.00000496129346
                   +0 :              -0.00000154123614
                   +1 :              -0.00000151076827
                   +2 :              -0.00000828605868
             10 vec=    15.350780     -0.362644      8.182514   |vec|=   17.399180
                1s
                   +0 :              -0.00003015660478
                2s
                   +0 :               0.00022948595955
                3s
                   +0 :              -0.00007932719836
                2p
                   -1 :               0.00014212612432
                   +0 :               0.00004209318786
                   +1 :               0.00026549703286
                3p
                   -1 :              -0.00014860689399
                   +0 :               0.00000701970559
                   +1 :              -0.00014666705285
                3d
                   -2 :              -0.00001445010440
                   -1 :              -0.00001086210364
                   +0 :              -0.00000391669398
                   +1 :               0.00000945582500
                   +2 :               0.00000330869003
             11 vec=    -7.989708     13.112993      8.182514   |vec|=   17.399412
                1s
                   +0 :               0.00000217477357
                2s
                   +0 :              -0.00006113997097
                3s
                   +0 :              -0.00000439749617
                2p
                   -1 :              -0.00003815789542
                   +0 :              -0.00008104802299
                   +1 :               0.00004611947545
                3p
                   -1 :              -0.00002916677508
                   +0 :               0.00001129150363
                   +1 :              -0.00003900756756
                3d
                   -2 :               0.00000509893868
                   -1 :              -0.00000308920200
                   +0 :               0.00000134393014
                   +1 :              -0.00000233664005
                   +2 :               0.00000656970839
             12 vec=     7.570617    -13.838281      8.182514   |vec|=   17.769800
                1s
                   +0 :              -0.00000095464583
                2s
                   +0 :              -0.00001598013950
                3s
                   +0 :               0.00000826625165
                2p
                   -1 :              -0.00000052168831
                   +0 :              -0.00010694739668
                   +1 :              -0.00003718017073
                3p
                   -1 :              -0.00000198279354
                   +0 :               0.00008818694444
                   +1 :               0.00001820653740
                3d
                   -2 :              -0.00000553571415
                   -1 :              -0.00000296759590
                   +0 :               0.00000401813763
                   +1 :               0.00000136610002
                   +2 :               0.00000314523272
             13 vec=   -15.769871     -0.362644      8.182514   |vec|=   17.770028
                1s
                   +0 :               0.00001022833978
                2s
                   +0 :              -0.00009097813965
                3s
                   +0 :              -0.00000314606825
                2p
                   -1 :               0.00004457920701
                   +0 :              -0.00005443781362
                   +1 :               0.00005741349604
                3p
                   -1 :               0.00000137772965
                   +0 :              -0.00001744432110
                   +1 :              -0.00000205496281
                3d
                   -2 :              -0.00000307256737
                   -1 :               0.00000266035727
                   +0 :              -0.00000211340452
                   +1 :               0.00000303706639
                   +2 :              -0.00000221579233
             14 vec=    -7.989708    -13.838281      8.182514   |vec|=   17.952354
                1s
                   +0 :               0.00000699718622
                2s
                   +0 :              -0.00005707363190
                3s
                   +0 :               0.00001868310327
                2p
                   -1 :               0.00002188458951
                   +0 :               0.00001701972114
                   +1 :               0.00000683519630
                3p
                   -1 :              -0.00000665023843
                   +0 :              -0.00002039242286
                   +1 :               0.00000348501146
                3d
                   -2 :              -0.00000151236609
                   -1 :              -0.00000379670931
                   +0 :              -0.00000327197950
                   +1 :               0.00000052060074
                   +2 :              -0.00000225823448
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 18)  npairs=  15
              1 vec=    -2.593388     -4.491580      8.182514   |vec|=    9.687801
                1s
                   +0 :              -0.00021844579695
                2s
                   +0 :               0.00155617502851
                3s
                   +0 :              -0.00059116986089
                2p
                   -1 :              -0.00350801316105
                   +0 :               0.00066227822224
                   +1 :              -0.00145889732765
                3p
                   -1 :               0.00242478655630
                   +0 :               0.00041981164525
                   +1 :               0.00065959276413
                3d
                   -2 :              -0.00003717541973
                   -1 :               0.00009720657614
                   +0 :               0.00010795720847
                   +1 :               0.00000145652202
                   +2 :               0.00016312371997
              2 vec=     5.186775      0.000299      8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00005426392052
                2s
                   +0 :               0.00098311968596
                3s
                   +0 :               0.00027620356122
                2p
                   -1 :              -0.00114472537440
                   +0 :               0.00304069533022
                   +1 :               0.00185388412513
                3p
                   -1 :               0.00003079642677
                   +0 :              -0.00056440984757
                   +1 :              -0.00025114924911
                3d
                   -2 :              -0.00000757397850
                   -1 :              -0.00011921221683
                   +0 :               0.00001055442311
                   +1 :               0.00011872432422
                   +2 :               0.00004149729035
              3 vec=    -2.593388      4.492178      8.182514   |vec|=    9.688078
                1s
                   +0 :               0.00032869839016
                2s
                   +0 :              -0.00311005097363
                3s
                   +0 :               0.00057120863021
                2p
                   -1 :              -0.00304555685950
                   +0 :              -0.00264895687512
                   +1 :              -0.00254379477606
                3p
                   -1 :               0.00097562328626
                   +0 :               0.00079914987539
                   +1 :               0.00141329628738
                3d
                   -2 :              -0.00009144397256
                   -1 :              -0.00003543660750
                   +0 :              -0.00004655464427
                   +1 :               0.00006266082202
                   +2 :               0.00000807125848
              4 vec=     5.186775     -8.983459      8.182514   |vec|=   13.212066
                1s
                   +0 :               0.00000321258404
                2s
                   +0 :               0.00019719515134
                3s
                   +0 :              -0.00000524077170
                2p
                   -1 :               0.00016775274671
                   +0 :               0.00026271535394
                   +1 :               0.00044116072255
                3p
                   -1 :              -0.00012191461076
                   +0 :              -0.00009211810647
                   +1 :              -0.00033959912040
                3d
                   -2 :               0.00003328223753
                   -1 :              -0.00000136621473
                   +0 :              -0.00004696556405
                   +1 :              -0.00001338810139
                   +2 :              -0.00001520203174
              5 vec=   -10.373550      0.000299      8.182514   |vec|=   13.212270
                1s
                   +0 :               0.00000433135865
                2s
                   +0 :              -0.00018557789978
                3s
                   +0 :               0.00000065412651
                2p
                   -1 :              -0.00023157721479
                   +0 :               0.00026464862000
                   +1 :               0.00011305641114
                3p
                   -1 :               0.00019697012787
                   +0 :              -0.00024609934278
                   +1 :              -0.00011076227508
                3d
                   -2 :              -0.00000463308729
                   -1 :               0.00001688182871
                   +0 :              -0.00003008273515
                   +1 :               0.00000696439273
                   +2 :               0.00002130221932
              6 vec=     5.186775      8.984057      8.182514   |vec|=   13.212474
                1s
                   +0 :              -0.00004795520606
                2s
                   +0 :               0.00053580701644
                3s
                   +0 :              -0.00002793747711
                2p
                   -1 :               0.00028532071643
                   +0 :              -0.00006278086372
                   +1 :               0.00029063566132
                3p
                   -1 :               0.00002875754379
                   +0 :               0.00005232906977
                   +1 :              -0.00022375551158
                3d
                   -2 :               0.00002831100484
                   -1 :               0.00002491692791
                   +0 :               0.00002816768673
                   +1 :               0.00001247339677
                   +2 :              -0.00002664295163
              7 vec=    -2.593388    -13.475338      8.182514   |vec|=   15.976981
                1s
                   +0 :               0.00000219436218
                2s
                   +0 :              -0.00005735218489
                3s
                   +0 :               0.00000859913583
                2p
                   -1 :               0.00005351296115
                   +0 :               0.00003305502720
                   +1 :              -0.00005542002042
                3p
                   -1 :              -0.00003857392655
                   +0 :              -0.00008038125126
                   +1 :               0.00005588423131
                3d
                   -2 :              -0.00000942927930
                   -1 :               0.00000939932493
                   +0 :              -0.00000682820185
                   +1 :               0.00000712604048
                   +2 :              -0.00001180481582
              8 vec=   -10.373550     -8.983459      8.182514   |vec|=   15.977065
                1s
                   +0 :              -0.00000399437320
                2s
                   +0 :              -0.00002673860781
                3s
                   +0 :              -0.00003444508892
                2p
                   -1 :              -0.00018636378689
                   +0 :              -0.00013263998073
                   +1 :              -0.00000215780841
                3p
                   -1 :               0.00021245777049
                   +0 :               0.00007774717888
                   +1 :               0.00005321623717
                3d
                   -2 :              -0.00000280420779
                   -1 :              -0.00001141821736
                   +0 :               0.00000859114898
                   +1 :               0.00000277606801
                   +2 :               0.00001682527342
              9 vec=    12.966938     -4.491580      8.182514   |vec|=   15.977149
                1s
                   +0 :              -0.00004675275054
                2s
                   +0 :               0.00030350930457
                3s
                   +0 :              -0.00013838338077
                2p
                   -1 :              -0.00015559899738
                   +0 :               0.00013060709499
                   +1 :               0.00012536677959
                3p
                   -1 :               0.00010572671058
                   +0 :              -0.00009014944744
                   +1 :              -0.00006804194006
                3d
                   -2 :              -0.00000716922343
                   -1 :               0.00000466103246
                   +0 :              -0.00000104976313
                   +1 :              -0.00000358803121
                   +2 :              -0.00002004206789
             10 vec=    12.966938      4.492178      8.182514   |vec|=   15.977318
                1s
                   +0 :              -0.00003009697683
                2s
                   +0 :               0.00020787870116
                3s
                   +0 :              -0.00003991855468
                2p
                   -1 :               0.00031052531573
                   +0 :               0.00009324422717
                   +1 :               0.00012746915091
                3p
                   -1 :              -0.00020492074876
                   +0 :              -0.00001548108442
                   +1 :              -0.00006950987998
                3d
                   -2 :              -0.00000775404393
                   -1 :              -0.00000800156587
                   +0 :               0.00000544064564
                   +1 :              -0.00000112073621
                   +2 :               0.00000014925583
             11 vec=   -10.373550      8.984057      8.182514   |vec|=   15.977402
                1s
                   +0 :               0.00001445487148
                2s
                   +0 :              -0.00013376344479
                3s
                   +0 :               0.00002678467769
                2p
                   -1 :              -0.00023938287722
                   +0 :              -0.00016825587207
                   +1 :               0.00000556613273
                3p
                   -1 :               0.00018404512923
                   +0 :               0.00010445628112
                   +1 :               0.00003330138023
                3d
                   -2 :              -0.00000090050280
                   -1 :               0.00000067973616
                   +0 :              -0.00000253589586
                   +1 :               0.00000500386364
                   +2 :              -0.00000805349096
             12 vec=    -2.593388     13.475936      8.182514   |vec|=   15.977486
                1s
                   +0 :               0.00002436924499
                2s
                   +0 :              -0.00014095202225
                3s
                   +0 :               0.00007282106706
                2p
                   -1 :               0.00007709191968
                   +0 :              -0.00012635897990
                   +1 :              -0.00012239916518
                3p
                   -1 :              -0.00008827711544
                   +0 :               0.00007271051365
                   +1 :               0.00010826075792
                3d
                   -2 :               0.00000700770598
                   -1 :               0.00000496673953
                   +0 :               0.00000573867589
                   +1 :               0.00000985349096
                   +2 :               0.00000388067925
             13 vec=    -2.593388     -4.491580    -16.365028   |vec|=   17.167239
                1s
                   +0 :              -0.00002910017814
                2s
                   +0 :               0.00020217835827
                3s
                   +0 :              -0.00007873020722
                2p
                   -1 :               0.00001518898809
                   +0 :              -0.00006840717777
                   +1 :              -0.00009493767125
                3p
                   -1 :               0.00001720634239
                   +0 :               0.00006849561550
                   +1 :               0.00004217438021
                3d
                   -2 :               0.00000052680263
                   -1 :              -0.00000467963947
                   +0 :               0.00000324537479
                   +1 :              -0.00000003186029
                   +2 :               0.00000705216953
             14 vec=     5.186775      0.000299    -16.365028   |vec|=   17.167317
                1s
                   +0 :              -0.00000211891371
                2s
                   +0 :               0.00002463462744
                3s
                   +0 :              -0.00000252884468
                2p
                   -1 :               0.00011142628118
                   +0 :              -0.00001591853026
                   +1 :              -0.00000356615261
                3p
                   -1 :              -0.00004789964063
                   +0 :              -0.00000028903093
                   +1 :               0.00000052139504
                3d
                   -2 :               0.00000332194913
                   -1 :              -0.00000253688304
                   +0 :              -0.00000245387082
                   +1 :               0.00000053563833
                   +2 :              -0.00000101565100
             15 vec=    -2.593388      4.492178    -16.365028   |vec|=   17.167396
                1s
                   +0 :              -0.00001327289622
                2s
                   +0 :               0.00014355919387
                3s
                   +0 :              -0.00002153241161
                2p
                   -1 :              -0.00009428957953
                   +0 :              -0.00000954589774
                   +1 :              -0.00004526144177
                3p
                   -1 :               0.00006272711720
                   +0 :              -0.00003449865897
                   +1 :              -0.00000055129077
                3d
                   -2 :               0.00000470534029
                   -1 :               0.00000066619776
                   +0 :               0.00000672914730
                   +1 :               0.00000578837018
                   +2 :               0.00000079104130
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 19)  npairs=  14
              1 vec=    -2.802674      1.376461      4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00277716859135
                2s
                   +0 :              -0.04512026492024
                3s
                   +0 :               0.00505270881166
                2p
                   -1 :              -0.00864686678595
                   +0 :              -0.02039646109123
                   +1 :               0.00896823293610
                3p
                   -1 :              -0.00035944442480
                   +0 :              -0.00187256666410
                   +1 :               0.00118437015160
                3d
                   -2 :               0.00060601656292
                   -1 :              -0.00206349034364
                   +0 :              -0.00164087511555
                   +1 :               0.00098850210455
                   +2 :               0.00010937450359
              2 vec=     4.977489     -3.115418      4.091257   |vec|=    7.156787
                1s
                   +0 :              -0.00115256501752
                2s
                   +0 :               0.00920319060459
                3s
                   +0 :              -0.00497899895850
                2p
                   -1 :              -0.00477531366728
                   +0 :               0.01089937536902
                   +1 :               0.01010517190316
                3p
                   -1 :               0.00395007796132
                   +0 :              -0.00754221698072
                   +1 :              -0.00764763239161
                3d
                   -2 :               0.00035493445816
                   -1 :               0.00050678359120
                   +0 :              -0.00045929617826
                   +1 :              -0.00106840845247
                   +2 :              -0.00020670814472
              3 vec=     4.977489      5.868340      4.091257   |vec|=    8.714998
                1s
                   +0 :               0.00007123846077
                2s
                   +0 :              -0.00051877803811
                3s
                   +0 :               0.00041823934955
                2p
                   -1 :               0.00205229753000
                   +0 :               0.00178336383147
                   +1 :               0.00009069442113
                3p
                   -1 :              -0.00171927109440
                   +0 :              -0.00056529297702
                   +1 :               0.00038436910162
                3d
                   -2 :              -0.00019998890965
                   -1 :              -0.00009532967961
                   +0 :               0.00002924301650
                   +1 :              -0.00005698726394
                   +2 :               0.00006397635711
              4 vec=    -2.802674     -7.607297      4.091257   |vec|=    9.080987
                1s
                   +0 :               0.00034417483800
                2s
                   +0 :              -0.00203581398029
                3s
                   +0 :               0.00083719775837
                2p
                   -1 :              -0.00073782743856
                   +0 :              -0.00166653135489
                   +1 :              -0.00062548318710
                3p
                   -1 :               0.00064437864507
                   +0 :               0.00015616264863
                   +1 :               0.00012860353992
                3d
                   -2 :              -0.00008527057627
                   -1 :               0.00026510522180
                   +0 :               0.00001227569922
                   +1 :               0.00002862676383
                   +2 :               0.00013745394269
              5 vec=    -2.802674     10.360219      4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00005142568792
                2s
                   +0 :              -0.00034682148014
                3s
                   +0 :              -0.00005257820903
                2p
                   -1 :              -0.00033316805257
                   +0 :               0.00038781295837
                   +1 :              -0.00061940916013
                3p
                   -1 :              -0.00022895607762
                   +0 :              -0.00051806431500
                   +1 :               0.00050213625311
                3d
                   -2 :               0.00003490816436
                   -1 :              -0.00006767137900
                   +0 :               0.00007968846915
                   +1 :              -0.00002600717790
                   +2 :               0.00005052565610
              6 vec=   -10.582837     -3.115418      4.091257   |vec|=   11.766080
                1s
                   +0 :               0.00002614036453
                2s
                   +0 :              -0.00034270276649
                3s
                   +0 :              -0.00003508979092
                2p
                   -1 :               0.00024419670295
                   +0 :              -0.00059300436165
                   +1 :               0.00077928129790
                3p
                   -1 :              -0.00008921340186
                   +0 :               0.00045198026465
                   +1 :              -0.00050712591433
                3d
                   -2 :              -0.00001138770444
                   -1 :               0.00001516172429
                   +0 :               0.00007421311724
                   +1 :              -0.00003053188925
                   +2 :              -0.00003476247343
              7 vec=   -10.582837      5.868340      4.091257   |vec|=   12.773889
                1s
                   +0 :               0.00003367829834
                2s
                   +0 :              -0.00047073722231
                3s
                   +0 :               0.00006897252005
                2p
                   -1 :               0.00011026824021
                   +0 :               0.00018289607877
                   +1 :              -0.00029368521653
                3p
                   -1 :              -0.00015974134820
                   +0 :              -0.00022070388418
                   +1 :               0.00029958486076
                3d
                   -2 :               0.00001662115180
                   -1 :              -0.00000080420911
                   +0 :              -0.00000331860020
                   +1 :               0.00001332868557
                   +2 :              -0.00000313402401
              8 vec=    12.757651      1.376461      4.091257   |vec|=   13.468136
                1s
                   +0 :              -0.00001815469972
                2s
                   +0 :               0.00048247956966
                3s
                   +0 :               0.00010086218415
                2p
                   -1 :              -0.00019296252514
                   +0 :               0.00007804547609
                   +1 :              -0.00016915130811
                3p
                   -1 :               0.00031601495624
                   +0 :               0.00026575535038
                   +1 :               0.00024697516968
                3d
                   -2 :               0.00004485147831
                   -1 :               0.00003024174160
                   +0 :               0.00004136393459
                   +1 :               0.00002782233199
                   +2 :               0.00000516926271
              9 vec=     4.977489    -12.099176      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00014202309218
                2s
                   +0 :              -0.00076216109380
                3s
                   +0 :               0.00044164719850
                2p
                   -1 :              -0.00019802856015
                   +0 :              -0.00017594291056
                   +1 :              -0.00003066489492
                3p
                   -1 :               0.00023442251487
                   +0 :               0.00013417682625
                   +1 :              -0.00004833870182
                3d
                   -2 :              -0.00000889803054
                   -1 :               0.00001440999228
                   +0 :               0.00000942014290
                   +1 :               0.00000127652416
                   +2 :               0.00002618326742
             10 vec=    12.757651     -7.607297      4.091257   |vec|=   15.406720
                1s
                   +0 :               0.00000516653404
                2s
                   +0 :              -0.00000117230415
                3s
                   +0 :               0.00009949711490
                2p
                   -1 :              -0.00010398971589
                   +0 :               0.00015228185942
                   +1 :              -0.00013770017365
                3p
                   -1 :               0.00002844550058
                   +0 :              -0.00007785214910
                   +1 :               0.00017334508778
                3d
                   -2 :              -0.00000049929418
                   -1 :               0.00000831484356
                   +0 :               0.00001316974546
                   +1 :              -0.00000478972694
                   +2 :               0.00001546755811
             11 vec=     4.977489     14.852098      4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00003453297827
                2s
                   +0 :               0.00022146666663
                3s
                   +0 :              -0.00009198428799
                2p
                   -1 :               0.00033374567264
                   +0 :              -0.00016267894208
                   +1 :               0.00000091737319
                3p
                   -1 :              -0.00022329780038
                   +0 :               0.00014655509411
                   +1 :              -0.00002998672244
                3d
                   -2 :              -0.00000734283360
                   -1 :               0.00000825306312
                   +0 :               0.00000449558130
                   +1 :               0.00000647924356
                   +2 :               0.00001585688947
             12 vec=   -10.582837    -12.099176      4.091257   |vec|=   16.586888
                1s
                   +0 :               0.00001473499109
                2s
                   +0 :              -0.00014533680721
                3s
                   +0 :               0.00004843882712
                2p
                   -1 :              -0.00001073637012
                   +0 :               0.00000954287495
                   +1 :              -0.00005681640150
                3p
                   -1 :               0.00007469808888
                   +0 :              -0.00003022312122
                   +1 :               0.00007526204464
                3d
                   -2 :              -0.00000694651713
                   -1 :              -0.00000484178575
                   +0 :               0.00000640244063
                   +1 :              -0.00000969658187
                   +2 :               0.00001235561487
             13 vec=    12.757651     10.360219      4.091257   |vec|=   16.936062
                1s
                   +0 :              -0.00001562601254
                2s
                   +0 :               0.00010018079001
                3s
                   +0 :              -0.00001979635063
                2p
                   -1 :              -0.00000389991536
                   +0 :              -0.00002734291603
                   +1 :              -0.00000338334815
                3p
                   -1 :               0.00003884531427
                   +0 :               0.00003657490837
                   +1 :               0.00004732304337
                3d
                   -2 :               0.00001119050557
                   -1 :               0.00000248330647
                   +0 :               0.00000155306185
                   +1 :              -0.00000335455130
                   +2 :              -0.00000791325361
             14 vec=    -2.802674    -16.591055      4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00000956301008
                2s
                   +0 :               0.00005560760406
                3s
                   +0 :              -0.00003102857169
                2p
                   -1 :              -0.00003754784015
                   +0 :               0.00001445266010
                   +1 :               0.00000529334814
                3p
                   -1 :               0.00005115024709
                   +0 :               0.00002152876276
                   +1 :               0.00000527645637
                3d
                   -2 :               0.00000264331979
                   -1 :              -0.00000155824840
                   +0 :               0.00000543558167
                   +1 :               0.00000178104977
                   +2 :              -0.00000025884884
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 20)  npairs=  14
              1 vec=     0.209286     -3.115418      4.091257   |vec|=    5.146651
                1s
                   +0 :               0.00160696774957
                2s
                   +0 :              -0.00636531923792
                3s
                   +0 :               0.00491786579589
                2p
                   -1 :               0.00835916450193
                   +0 :               0.00058043656693
                   +1 :              -0.00434009303914
                3p
                   -1 :              -0.00750544373416
                   +0 :               0.00156726864885
                   +1 :              -0.00371612893278
                3d
                   -2 :               0.00087658142461
                   -1 :              -0.00070778549351
                   +0 :               0.00047677605001
                   +1 :              -0.00166612804387
                   +2 :              -0.00024484025707
              2 vec=     0.209286      5.868340      4.091257   |vec|=    7.156787
                1s
                   +0 :               0.00054103242271
                2s
                   +0 :              -0.00410190277082
                3s
                   +0 :               0.00175915891381
                2p
                   -1 :              -0.00216078428413
                   +0 :              -0.00111520073211
                   +1 :               0.00558464543840
                3p
                   -1 :               0.00111570431486
                   +0 :               0.00085672577065
                   +1 :              -0.00567024883227
                3d
                   -2 :              -0.00010954254353
                   -1 :              -0.00000545656434
                   +0 :              -0.00000551163143
                   +1 :               0.00003579162168
                   +2 :              -0.00012805121160
              3 vec=    -7.570876      1.376461      4.091257   |vec|=    8.714998
                1s
                   +0 :              -0.00008214849335
                2s
                   +0 :               0.00112365693712
                3s
                   +0 :              -0.00057592431366
                2p
                   -1 :               0.00057178389332
                   +0 :               0.00010399041967
                   +1 :               0.00222045149325
                3p
                   -1 :              -0.00065911782121
                   +0 :              -0.00013915474565
                   +1 :              -0.00123574109470
                3d
                   -2 :               0.00003859035131
                   -1 :               0.00002579270673
                   +0 :              -0.00000326947671
                   +1 :               0.00003207878438
                   +2 :               0.00013498524521
              4 vec=     7.989449      1.376461      4.091257   |vec|=    9.080987
                1s
                   +0 :              -0.00023185083108
                2s
                   +0 :               0.00109475995012
                3s
                   +0 :              -0.00041356706969
                2p
                   -1 :               0.00144738429098
                   +0 :               0.00360048349445
                   +1 :              -0.00052511943078
                3p
                   -1 :              -0.00063534047107
                   +0 :              -0.00215997724743
                   +1 :               0.00062503966827
                3d
                   -2 :              -0.00003544087012
                   -1 :              -0.00007498308853
                   +0 :               0.00001465443484
                   +1 :              -0.00002768478398
                   +2 :              -0.00001826280639
              5 vec=    -7.570876     -7.607297      4.091257   |vec|=   11.485970
                1s
                   +0 :               0.00001067005599
                2s
                   +0 :              -0.00041982299162
                3s
                   +0 :               0.00006477189365
                2p
                   -1 :               0.00065356648546
                   +0 :               0.00000547214356
                   +1 :               0.00054607603459
                3p
                   -1 :              -0.00026723382146
                   +0 :              -0.00016843196236
                   +1 :              -0.00047476931038
                3d
                   -2 :               0.00002078696378
                   -1 :               0.00010985784132
                   +0 :              -0.00005814387922
                   +1 :               0.00000269642722
                   +2 :               0.00005161137343
              6 vec=     7.989449     -7.607297      4.091257   |vec|=   11.766080
                1s
                   +0 :              -0.00001142616397
                2s
                   +0 :               0.00029114256515
                3s
                   +0 :              -0.00005474822287
                2p
                   -1 :               0.00066105485032
                   +0 :               0.00101802864903
                   +1 :               0.00009933705110
                3p
                   -1 :              -0.00065509883887
                   +0 :              -0.00077257558397
                   +1 :              -0.00018521888488
                3d
                   -2 :              -0.00005765728763
                   -1 :               0.00004625964669
                   +0 :               0.00009968544919
                   +1 :              -0.00004681966594
                   +2 :              -0.00003496056844
              7 vec=     0.209286    -12.099176      4.091257   |vec|=   12.773889
                1s
                   +0 :              -0.00000241753303
                2s
                   +0 :              -0.00003581847926
                3s
                   +0 :              -0.00004648188679
                2p
                   -1 :               0.00009810192722
                   +0 :              -0.00057072644324
                   +1 :               0.00033975570312
                3p
                   -1 :              -0.00003143037735
                   +0 :               0.00040203144308
                   +1 :              -0.00018213686981
                3d
                   -2 :              -0.00001255378358
                   -1 :              -0.00000865720504
                   +0 :               0.00001330763245
                   +1 :               0.00001733227740
                   +2 :               0.00003694527966
              8 vec=    -7.570876     10.360219      4.091257   |vec|=   13.468136
                1s
                   +0 :               0.00006801111760
                2s
                   +0 :              -0.00078599781763
                3s
                   +0 :               0.00010527698878
                2p
                   -1 :              -0.00023081829011
                   +0 :              -0.00043432380556
                   +1 :               0.00019384029189
                3p
                   -1 :               0.00006625897733
                   +0 :               0.00011231469218
                   +1 :              -0.00003952447442
                3d
                   -2 :               0.00003799499313
                   -1 :              -0.00000216532750
                   +0 :              -0.00003548172987
                   +1 :              -0.00002022557485
                   +2 :              -0.00000739663617
              9 vec=     7.989449     10.360219      4.091257   |vec|=   13.707802
                1s
                   +0 :               0.00002336519755
                2s
                   +0 :               0.00016408019025
                3s
                   +0 :               0.00013519331840
                2p
                   -1 :              -0.00023722480773
                   +0 :               0.00007305085654
                   +1 :              -0.00016540110349
                3p
                   -1 :               0.00030457875764
                   +0 :               0.00010375649011
                   +1 :               0.00025264709359
                3d
                   -2 :               0.00002609674520
                   -1 :              -0.00000066666077
                   +0 :               0.00001104104033
                   +1 :               0.00001168925280
                   +2 :              -0.00000879501358
             10 vec=     0.209286     14.852098      4.091257   |vec|=   15.406720
                1s
                   +0 :              -0.00000651678196
                2s
                   +0 :               0.00004232412041
                3s
                   +0 :              -0.00000024913060
                2p
                   -1 :               0.00012516355864
                   +0 :               0.00005836749009
                   +1 :              -0.00005515252896
                3p
                   -1 :              -0.00009160188231
                   +0 :              -0.00005497457138
                   +1 :              -0.00000352346815
                3d
                   -2 :              -0.00000122707766
                   -1 :              -0.00000255705136
                   +0 :               0.00000787679623
                   +1 :               0.00000923084987
                   +2 :               0.00000947141186
             11 vec=   -15.351039     -3.115418      4.091257   |vec|=   16.189460
                1s
                   +0 :              -0.00000350883197
                2s
                   +0 :              -0.00007676409771
                3s
                   +0 :              -0.00001547863725
                2p
                   -1 :               0.00003177111015
                   +0 :              -0.00008397004720
                   +1 :               0.00011454659469
                3p
                   -1 :               0.00001232199371
                   +0 :               0.00002139982438
                   +1 :               0.00000355097612
                3d
                   -2 :               0.00000227994694
                   -1 :               0.00000449963976
                   +0 :               0.00001494248378
                   +1 :              -0.00000857927203
                   +2 :               0.00000065077250
             12 vec=    15.769612     -3.115418      4.091257   |vec|=   16.586888
                1s
                   +0 :              -0.00004501020169
                2s
                   +0 :               0.00031050308869
                3s
                   +0 :              -0.00009333610521
                2p
                   -1 :              -0.00007697433956
                   +0 :              -0.00015238938281
                   +1 :               0.00017410544088
                3p
                   -1 :               0.00002882461173
                   +0 :               0.00021047297773
                   +1 :              -0.00001591797756
                3d
                   -2 :              -0.00000764473470
                   -1 :              -0.00001303227709
                   +0 :              -0.00000566763127
                   +1 :               0.00001239129485
                   +2 :              -0.00000241800313
             13 vec=   -15.351039      5.868340      4.091257   |vec|=   16.936062
                1s
                   +0 :               0.00002874033236
                2s
                   +0 :              -0.00020135938318
                3s
                   +0 :               0.00006719599142
                2p
                   -1 :               0.00002024014544
                   +0 :              -0.00004637563070
                   +1 :               0.00014823823071
                3p
                   -1 :              -0.00004470007775
                   +0 :               0.00000746969105
                   +1 :              -0.00008132893481
                3d
                   -2 :               0.00000895683381
                   -1 :              -0.00000115267129
                   +0 :              -0.00000885658900
                   +1 :              -0.00000300594540
                   +2 :              -0.00000330527040
             14 vec=    15.769612      5.868340      4.091257   |vec|=   17.316364
                1s
                   +0 :              -0.00002405326628
                2s
                   +0 :               0.00016710829677
                3s
                   +0 :              -0.00005587743508
                2p
                   -1 :              -0.00008696897800
                   +0 :              -0.00000527899029
                   +1 :              -0.00000579427645
                3p
                   -1 :               0.00008918842752
                   +0 :               0.00002999491143
                   +1 :               0.00007168353700
                3d
                   -2 :              -0.00000123633405
                   -1 :               0.00000109713003
                   +0 :               0.00000416895391
                   +1 :               0.00000149584405
                   +2 :               0.00001154729141
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 21)  npairs=  14
              1 vec=     2.593388      1.013967      4.091257   |vec|=    4.948957
                1s
                   +0 :              -0.00178253000708
                2s
                   +0 :               0.04936605570640
                3s
                   +0 :              -0.00377269340936
                2p
                   -1 :               0.00632636273017
                   +0 :               0.03256333162051
                   +1 :               0.00860009258666
                3p
                   -1 :               0.00234502680982
                   +0 :              -0.00404415150442
                   +1 :              -0.00354558170500
                3d
                   -2 :               0.00081590826897
                   -1 :               0.00124652490132
                   +0 :               0.00182462891126
                   +1 :              -0.00005496881342
                   +2 :              -0.00010378285829
              2 vec=    -5.186775     -3.477912      4.091257   |vec|=    7.465715
                1s
                   +0 :               0.00010415734459
                2s
                   +0 :              -0.00104858556442
                3s
                   +0 :               0.00049131319958
                2p
                   -1 :               0.00024681220148
                   +0 :               0.00251829767354
                   +1 :               0.00473186527711
                3p
                   -1 :               0.00109518584020
                   +0 :              -0.00352847604106
                   +1 :              -0.00298018900242
                3d
                   -2 :               0.00028182209115
                   -1 :              -0.00024001190748
                   +0 :              -0.00035677767459
                   +1 :              -0.00021352788395
                   +2 :               0.00010397252114
              3 vec=    -5.186775      5.505846      4.091257   |vec|=    8.599730
                1s
                   +0 :               0.00003050097234
                2s
                   +0 :               0.00047913701870
                3s
                   +0 :              -0.00053169317579
                2p
                   -1 :              -0.00107266795821
                   +0 :               0.00443304682935
                   +1 :               0.00017125668340
                3p
                   -1 :               0.00014933871128
                   +0 :              -0.00319857023022
                   +1 :               0.00021379342540
                3d
                   -2 :               0.00002227560470
                   -1 :              -0.00015753273685
                   +0 :              -0.00006636626465
                   +1 :               0.00010566458650
                   +2 :              -0.00002695312712
              4 vec=     2.593388     -7.969791      4.091257   |vec|=    9.326393
                1s
                   +0 :              -0.00044741753385
                2s
                   +0 :               0.00257488718235
                3s
                   +0 :              -0.00118972015930
                2p
                   -1 :              -0.00222368507975
                   +0 :               0.00071882155731
                   +1 :              -0.00123228559059
                3p
                   -1 :               0.00192820605854
                   +0 :               0.00052057842672
                   +1 :               0.00095014101689
                3d
                   -2 :               0.00002769274159
                   -1 :              -0.00000914509436
                   +0 :               0.00015996963893
                   +1 :              -0.00004550416417
                   +2 :               0.00020588572121
              5 vec=     2.593388      9.997725      4.091257   |vec|=   11.109390
                1s
                   +0 :               0.00013693471812
                2s
                   +0 :              -0.00068689806931
                3s
                   +0 :               0.00051888810114
                2p
                   -1 :              -0.00113182790916
                   +0 :               0.00019802469118
                   +1 :              -0.00050635547152
                3p
                   -1 :               0.00126616197003
                   +0 :               0.00008116285137
                   +1 :               0.00025797644526
                3d
                   -2 :               0.00002889475634
                   -1 :              -0.00000966030985
                   +0 :              -0.00009893443776
                   +1 :              -0.00001946342321
                   +2 :              -0.00010027559176
              6 vec=    10.373550     -3.477912      4.091257   |vec|=   11.680959
                1s
                   +0 :               0.00007685830305
                2s
                   +0 :              -0.00014475166938
                3s
                   +0 :               0.00018964807955
                2p
                   -1 :               0.00070637672549
                   +0 :              -0.00032853951468
                   +1 :              -0.00004118273222
                3p
                   -1 :              -0.00085001948774
                   +0 :               0.00030094017570
                   +1 :               0.00020225651970
                3d
                   -2 :              -0.00005759626665
                   -1 :               0.00006072537215
                   +0 :              -0.00009921291496
                   +1 :               0.00000838593612
                   +2 :               0.00008313155171
              7 vec=    10.373550      5.505846      4.091257   |vec|=   12.436369
                1s
                   +0 :              -0.00002324710778
                2s
                   +0 :               0.00055266595522
                3s
                   +0 :              -0.00005199048015
                2p
                   -1 :               0.00068590177242
                   +0 :               0.00040679686659
                   +1 :               0.00064068776918
                3p
                   -1 :              -0.00058260803450
                   +0 :              -0.00046031215463
                   +1 :              -0.00044349018119
                3d
                   -2 :              -0.00001707371445
                   -1 :              -0.00003611424686
                   +0 :              -0.00001266765322
                   +1 :              -0.00007409186537
                   +2 :               0.00001660616059
              8 vec=   -12.966938      1.013967      4.091257   |vec|=   13.634808
                1s
                   +0 :              -0.00001220756850
                2s
                   +0 :              -0.00043984287363
                3s
                   +0 :              -0.00017694028292
                2p
                   -1 :               0.00005476675402
                   +0 :              -0.00051391743729
                   +1 :              -0.00000095421130
                3p
                   -1 :              -0.00020292315338
                   +0 :              -0.00002307889060
                   +1 :               0.00026179575231
                3d
                   -2 :               0.00000885338010
                   -1 :              -0.00002175093070
                   +0 :              -0.00000267943279
                   +1 :               0.00001984654016
                   +2 :              -0.00002156100623
              9 vec=    -5.186775    -12.461670      4.091257   |vec|=   14.104405
                1s
                   +0 :               0.00002382496792
                2s
                   +0 :              -0.00023578659877
                3s
                   +0 :               0.00006627394855
                2p
                   -1 :               0.00033075694623
                   +0 :              -0.00016974857949
                   +1 :              -0.00014282479575
                3p
                   -1 :              -0.00028172808666
                   +0 :               0.00006384808562
                   +1 :               0.00003968089292
                3d
                   -2 :               0.00002229873926
                   -1 :              -0.00001250483419
                   +0 :              -0.00001007787639
                   +1 :               0.00000281511969
                   +2 :              -0.00002412318807
             10 vec=   -12.966938     -7.969791      4.091257   |vec|=   15.760629
                1s
                   +0 :              -0.00000134281433
                2s
                   +0 :              -0.00002760578307
                3s
                   +0 :              -0.00002382560537
                2p
                   -1 :              -0.00003381003443
                   +0 :              -0.00002841019497
                   +1 :               0.00009083721128
                3p
                   -1 :               0.00006827709052
                   +0 :              -0.00003339434323
                   +1 :              -0.00006396531391
                3d
                   -2 :              -0.00000888378903
                   -1 :               0.00000135986428
                   +0 :              -0.00000362630481
                   +1 :              -0.00000650825342
                   +2 :               0.00000273794973
             11 vec=    -5.186775     14.489604      4.091257   |vec|=   15.924498
                1s
                   +0 :               0.00002786433404
                2s
                   +0 :              -0.00022489420386
                3s
                   +0 :               0.00010011551917
                2p
                   -1 :              -0.00031828200320
                   +0 :               0.00005669294929
                   +1 :              -0.00001774277953
                3p
                   -1 :               0.00019500718753
                   +0 :              -0.00003815398407
                   +1 :               0.00001970082854
                3d
                   -2 :               0.00000506452242
                   -1 :              -0.00000882642566
                   +0 :               0.00000749952902
                   +1 :               0.00000378595996
                   +2 :              -0.00001307764590
             12 vec=    10.373550    -12.461670      4.091257   |vec|=   16.722504
                1s
                   +0 :               0.00000088833915
                2s
                   +0 :               0.00001479084132
                3s
                   +0 :               0.00000631170074
                2p
                   -1 :              -0.00034005559957
                   +0 :               0.00006093406171
                   +1 :              -0.00004700716107
                3p
                   -1 :               0.00028406788588
                   +0 :              -0.00002529371125
                   +1 :               0.00003600754862
                3d
                   -2 :               0.00001408329863
                   -1 :               0.00000715561574
                   +0 :               0.00000838151453
                   +1 :              -0.00000198220894
                   +2 :               0.00001082174199
             13 vec=   -12.966938      9.997725      4.091257   |vec|=   16.877036
                1s
                   +0 :               0.00002366935384
                2s
                   +0 :              -0.00016944047224
                3s
                   +0 :               0.00007182889233
                2p
                   -1 :              -0.00022489037904
                   +0 :              -0.00004763913282
                   +1 :               0.00004326786972
                3p
                   -1 :               0.00016177129638
                   +0 :               0.00001155140040
                   +1 :              -0.00000086617783
                3d
                   -2 :              -0.00000199005290
                   -1 :              -0.00000244174961
                   +0 :              -0.00000168065772
                   +1 :               0.00000106562577
                   +2 :              -0.00000951474864
             14 vec=     2.593388    -16.953549      4.091257   |vec|=   17.631984
                1s
                   +0 :               0.00000748598598
                2s
                   +0 :              -0.00006650849431
                3s
                   +0 :               0.00002355656137
                2p
                   -1 :               0.00012189802273
                   +0 :              -0.00003918617402
                   +1 :               0.00004658035064
                3p
                   -1 :              -0.00010150830384
                   +0 :               0.00002261004952
                   +1 :              -0.00005091040292
                3d
                   -2 :               0.00000590067788
                   -1 :              -0.00000038213102
                   +0 :              -0.00000470103473
                   +1 :               0.00000168175266
                   +2 :              -0.00000991863791
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 22)  npairs=  14
              1 vec=     0.209805     -0.362794     -8.182514   |vec|=    8.193240
                1s
                   +0 :               0.00026464691205
                2s
                   +0 :              -0.00175269539397
                3s
                   +0 :               0.00073474582501
                2p
                   -1 :              -0.00109357417635
                   +0 :              -0.00031923811901
                   +1 :              -0.00009501928172
                3p
                   -1 :               0.00078816357778
                   +0 :               0.00066718331417
                   +1 :              -0.00102868705477
                3d
                   -2 :              -0.00004913794491
                   -1 :              -0.00001662846198
                   +0 :              -0.00033217018913
                   +1 :               0.00002495829787
                   +2 :               0.00013724107814
              2 vec=    -7.570358      4.129085     -8.182514   |vec|=   11.887523
                1s
                   +0 :               0.00003287200962
                2s
                   +0 :              -0.00079457829337
                3s
                   +0 :              -0.00006697173951
                2p
                   -1 :               0.00036233236037
                   +0 :               0.00045747952784
                   +1 :               0.00007734196331
                3p
                   -1 :              -0.00046115606616
                   +0 :               0.00010077716068
                   +1 :               0.00008286025084
                3d
                   -2 :               0.00002641290022
                   -1 :               0.00000404713393
                   +0 :               0.00000157253966
                   +1 :              -0.00002132505283
                   +2 :               0.00003433982105
              3 vec=     0.209805      8.620964     -8.182514   |vec|=   11.887749
                1s
                   +0 :              -0.00003533447367
                2s
                   +0 :               0.00036816095586
                3s
                   +0 :              -0.00004649017320
                2p
                   -1 :               0.00016668557550
                   +0 :               0.00015738662927
                   +1 :              -0.00006027691896
                3p
                   -1 :               0.00004161156257
                   +0 :              -0.00018157994361
                   +1 :              -0.00003701854355
                3d
                   -2 :              -0.00000761036583
                   -1 :              -0.00001763666788
                   +0 :               0.00000523389575
                   +1 :               0.00000238360576
                   +2 :              -0.00001065007839
              4 vec=    -7.570358     -4.854673     -8.182514   |vec|=   12.158606
                1s
                   +0 :              -0.00027273223029
                2s
                   +0 :               0.00138527326917
                3s
                   +0 :              -0.00089027996815
                2p
                   -1 :               0.00111072350955
                   +0 :              -0.00072265713431
                   +1 :              -0.00110874643707
                3p
                   -1 :              -0.00073759010615
                   +0 :               0.00074208639694
                   +1 :               0.00097094606956
                3d
                   -2 :               0.00001448796289
                   -1 :               0.00004216102007
                   +0 :              -0.00005512362824
                   +1 :              -0.00016209260883
                   +2 :              -0.00007257936294
              5 vec=     7.989968      4.129085     -8.182514   |vec|=   12.159049
                1s
                   +0 :              -0.00013035710857
                2s
                   +0 :               0.00065645846179
                3s
                   +0 :              -0.00059990850023
                2p
                   -1 :               0.00039900947211
                   +0 :              -0.00026955432895
                   +1 :               0.00094550148809
                3p
                   -1 :              -0.00022639348619
                   +0 :              -0.00011720596133
                   +1 :              -0.00065316249721
                3d
                   -2 :              -0.00020248653591
                   -1 :               0.00004903920168
                   +0 :               0.00014394730242
                   +1 :               0.00015004581030
                   +2 :              -0.00017378154677
              6 vec=     0.209805     -9.346552     -8.182514   |vec|=   12.423993
                1s
                   +0 :              -0.00006475733394
                2s
                   +0 :               0.00044556227515
                3s
                   +0 :              -0.00012757068048
                2p
                   -1 :              -0.00068741955623
                   +0 :               0.00033568816744
                   +1 :              -0.00038838183098
                3p
                   -1 :               0.00040553732127
                   +0 :              -0.00039158423401
                   +1 :               0.00015111703532
                3d
                   -2 :              -0.00002853166668
                   -1 :               0.00002555339337
                   +0 :              -0.00000802023640
                   +1 :               0.00002795378263
                   +2 :               0.00001933871892
              7 vec=     7.989968     -4.854673     -8.182514   |vec|=   12.424209
                1s
                   +0 :               0.00003981827848
                2s
                   +0 :              -0.00007978580737
                3s
                   +0 :               0.00020217848904
                2p
                   -1 :              -0.00022349753566
                   +0 :              -0.00011068359200
                   +1 :               0.00040615776547
                3p
                   -1 :               0.00008698248272
                   +0 :               0.00008866777279
                   +1 :              -0.00023195159018
                3d
                   -2 :               0.00002789797971
                   -1 :              -0.00004028355715
                   +0 :              -0.00002524195649
                   +1 :              -0.00000822453460
                   +2 :               0.00003556421917
              8 vec=     0.209805     -0.362794     16.365028   |vec|=   16.370394
                1s
                   +0 :               0.00001414024840
                2s
                   +0 :              -0.00008960386704
                3s
                   +0 :               0.00004481031039
                2p
                   -1 :              -0.00007798914793
                   +0 :               0.00001765465076
                   +1 :               0.00003395044387
                3p
                   -1 :               0.00004655952436
                   +0 :               0.00001590985643
                   +1 :              -0.00006903417641
                3d
                   -2 :              -0.00000808982028
                   -1 :               0.00000625080842
                   +0 :               0.00000225849172
                   +1 :              -0.00000598887309
                   +2 :              -0.00000315537359
              9 vec=    -7.570358     13.112843     -8.182514   |vec|=   17.210767
                1s
                   +0 :               0.00002640090086
                2s
                   +0 :              -0.00021254253738
                3s
                   +0 :               0.00005020292702
                2p
                   -1 :              -0.00002200238227
                   +0 :               0.00000100891638
                   +1 :              -0.00000037857324
                3p
                   -1 :              -0.00009351273587
                   +0 :               0.00000484563187
                   +1 :              -0.00000318150874
                3d
                   -2 :               0.00000840277710
                   -1 :              -0.00000276078586
                   +0 :               0.00001251911161
                   +1 :               0.00000587288775
                   +2 :               0.00000930116869
             10 vec=   -15.350520     -0.362794     -8.182514   |vec|=   17.398955
                1s
                   +0 :               0.00001642059302
                2s
                   +0 :              -0.00014955967012
                3s
                   +0 :               0.00003020092978
                2p
                   -1 :              -0.00010359154073
                   +0 :               0.00007981388456
                   +1 :               0.00019941185477
                3p
                   -1 :               0.00011254201940
                   +0 :              -0.00002071280705
                   +1 :              -0.00008272572997
                3d
                   -2 :              -0.00000768289209
                   -1 :              -0.00001024376943
                   +0 :               0.00000464697885
                   +1 :              -0.00000448072304
                   +2 :              -0.00000075999718
             11 vec=     7.989968     13.112843     -8.182514   |vec|=   17.399419
                1s
                   +0 :               0.00000532021350
                2s
                   +0 :              -0.00000290097659
                3s
                   +0 :               0.00001549009378
                2p
                   -1 :               0.00007584899268
                   +0 :              -0.00001857452085
                   +1 :               0.00010202502647
                3p
                   -1 :              -0.00006346426807
                   +0 :              -0.00004503620225
                   +1 :              -0.00002830991049
                3d
                   -2 :              -0.00000472308511
                   -1 :              -0.00000174160701
                   +0 :               0.00000606179286
                   +1 :               0.00000166784430
                   +2 :               0.00000297435581
             12 vec=    -7.570358    -13.838431     -8.182514   |vec|=   17.769807
                1s
                   +0 :              -0.00000759012036
                2s
                   +0 :               0.00008511510679
                3s
                   +0 :              -0.00002899935095
                2p
                   -1 :              -0.00005610748272
                   +0 :              -0.00003169475479
                   +1 :              -0.00005999375684
                3p
                   -1 :               0.00002977358955
                   +0 :               0.00004452532972
                   +1 :               0.00002219308706
                3d
                   -2 :              -0.00000342813392
                   -1 :              -0.00000129264059
                   +0 :              -0.00000412205047
                   +1 :              -0.00000178332129
                   +2 :              -0.00000421536931
             13 vec=    15.770130     -0.362794     -8.182514   |vec|=   17.770261
                1s
                   +0 :               0.00001099956629
                2s
                   +0 :              -0.00010423814954
                3s
                   +0 :               0.00005612016573
                2p
                   -1 :               0.00009667851416
                   +0 :               0.00001899538239
                   +1 :              -0.00010579249493
                3p
                   -1 :              -0.00004313586204
                   +0 :              -0.00006681553618
                   +1 :               0.00009374897346
                3d
                   -2 :               0.00000233804791
                   -1 :              -0.00000308924835
                   +0 :               0.00000160985121
                   +1 :              -0.00001065851402
                   +2 :               0.00000437860209
             14 vec=     7.989968    -13.838431     -8.182514   |vec|=   17.952585
                1s
                   +0 :               0.00000870500329
                2s
                   +0 :              -0.00004945585368
                3s
                   +0 :               0.00002384361798
                2p
                   -1 :               0.00002488189118
                   +0 :              -0.00007013285270
                   +1 :              -0.00003073847751
                3p
                   -1 :               0.00000415001398
                   +0 :               0.00005640915827
                   +1 :               0.00001263810273
                3d
                   -2 :              -0.00000321217245
                   -1 :              -0.00000621373951
                   +0 :               0.00000229451070
                   +1 :              -0.00000180934545
                   +2 :               0.00000157925988
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 23)  npairs=  15
              1 vec=     4.976970     -0.362794     -8.182514   |vec|=    9.584122
                1s
                   +0 :              -0.00015199592978
                2s
                   +0 :               0.00170418166067
                3s
                   +0 :              -0.00004447147404
                2p
                   -1 :              -0.00224918737830
                   +0 :              -0.00135685462010
                   +1 :              -0.00059552381076
                3p
                   -1 :               0.00083514613257
                   +0 :               0.00013239091801
                   +1 :               0.00089432499679
                3d
                   -2 :               0.00008863587430
                   -1 :               0.00014236741425
                   +0 :              -0.00012891832208
                   +1 :              -0.00000325447017
                   +2 :              -0.00003342901806
              2 vec=    -2.803193      4.129085     -8.182514   |vec|=    9.584402
                1s
                   +0 :               0.00017762101406
                2s
                   +0 :              -0.00168624792833
                3s
                   +0 :               0.00012729488613
                2p
                   -1 :              -0.00268674437023
                   +0 :               0.00272442644817
                   +1 :              -0.00111248575193
                3p
                   -1 :               0.00040390869585
                   +0 :              -0.00009507727781
                   +1 :               0.00065703966464
                3d
                   -2 :               0.00004080074447
                   -1 :               0.00008487005919
                   +0 :              -0.00003954064004
                   +1 :              -0.00007845403364
                   +2 :               0.00006609396232
              3 vec=    -2.803193     -4.854673     -8.182514   |vec|=    9.918633
                1s
                   +0 :              -0.00002283106428
                2s
                   +0 :               0.00117820833195
                3s
                   +0 :               0.00000111752292
                2p
                   -1 :              -0.00017394257323
                   +0 :              -0.00128794513669
                   +1 :               0.00056746388336
                3p
                   -1 :               0.00025947538177
                   +0 :               0.00068533721048
                   +1 :              -0.00064553573719
                3d
                   -2 :              -0.00002039631824
                   -1 :               0.00013417703650
                   +0 :               0.00014017980276
                   +1 :               0.00003524731562
                   +2 :              -0.00011271342332
              4 vec=     4.976970      8.620964     -8.182514   |vec|=   12.885837
                1s
                   +0 :              -0.00010683033417
                2s
                   +0 :               0.00081475472154
                3s
                   +0 :              -0.00029394516188
                2p
                   -1 :               0.00042714792898
                   +0 :              -0.00018308901928
                   +1 :               0.00052379463625
                3p
                   -1 :              -0.00025067871418
                   +0 :               0.00016632160492
                   +1 :              -0.00038137914974
                3d
                   -2 :              -0.00001750670387
                   -1 :               0.00002014448699
                   +0 :              -0.00002432392182
                   +1 :               0.00004109546529
                   +2 :              -0.00000752918373
              5 vec=     4.976970     -9.346552     -8.182514   |vec|=   13.382145
                1s
                   +0 :              -0.00009215676556
                2s
                   +0 :               0.00063313241057
                3s
                   +0 :              -0.00037009646334
                2p
                   -1 :              -0.00045091197901
                   +0 :              -0.00046888075802
                   +1 :              -0.00019719579072
                3p
                   -1 :               0.00050967123541
                   +0 :               0.00030383472528
                   +1 :               0.00017776341775
                3d
                   -2 :              -0.00002650096652
                   -1 :              -0.00007730999600
                   +0 :               0.00004345932603
                   +1 :               0.00000624757587
                   +2 :               0.00011520268423
              6 vec=   -10.583355     -0.362794     -8.182514   |vec|=   13.382547
                1s
                   +0 :               0.00003842117610
                2s
                   +0 :              -0.00053849635439
                3s
                   +0 :               0.00005535103971
                2p
                   -1 :               0.00007649359528
                   +0 :              -0.00027940214375
                   +1 :               0.00028182113503
                3p
                   -1 :               0.00007450008088
                   +0 :               0.00031085175504
                   +1 :              -0.00000538677832
                3d
                   -2 :              -0.00002960016495
                   -1 :               0.00000634498252
                   +0 :               0.00000932535587
                   +1 :              -0.00000447579038
                   +2 :              -0.00000141800075
              7 vec=    12.757133      4.129085     -8.182514   |vec|=   15.708193
                1s
                   +0 :               0.00004123102263
                2s
                   +0 :              -0.00033923356999
                3s
                   +0 :               0.00002965962349
                2p
                   -1 :              -0.00011640669441
                   +0 :              -0.00040764122456
                   +1 :               0.00012420902986
                3p
                   -1 :               0.00016597935994
                   +0 :               0.00017819696593
                   +1 :              -0.00027185463186
                3d
                   -2 :               0.00000987855687
                   -1 :               0.00000122947925
                   +0 :               0.00001963827661
                   +1 :              -0.00001069982770
                   +2 :              -0.00002803103301
              8 vec=    -2.803193     13.112843     -8.182514   |vec|=   15.708535
                1s
                   +0 :               0.00001653391198
                2s
                   +0 :              -0.00009991200995
                3s
                   +0 :               0.00007433471478
                2p
                   -1 :              -0.00007547063857
                   +0 :               0.00020467456934
                   +1 :              -0.00008717195216
                3p
                   -1 :               0.00003936221097
                   +0 :              -0.00013664735226
                   +1 :               0.00002002708259
                3d
                   -2 :              -0.00000551933505
                   -1 :              -0.00001579275906
                   +0 :               0.00000224927448
                   +1 :              -0.00001566236282
                   +2 :              -0.00000646221377
              9 vec=    12.757133     -4.854673     -8.182514   |vec|=   15.914328
                1s
                   +0 :               0.00003105873750
                2s
                   +0 :              -0.00019585964682
                3s
                   +0 :               0.00013269997851
                2p
                   -1 :               0.00007532194459
                   +0 :               0.00011009863423
                   +1 :              -0.00015888534446
                3p
                   -1 :              -0.00005263854310
                   +0 :              -0.00011508582823
                   +1 :               0.00016910029288
                3d
                   -2 :               0.00000391629971
                   -1 :               0.00000888824018
                   +0 :               0.00000490944679
                   +1 :              -0.00000684949678
                   +2 :               0.00001066080493
             10 vec=   -10.583355      8.620964     -8.182514   |vec|=   15.914835
                1s
                   +0 :               0.00001694487275
                2s
                   +0 :              -0.00014892743665
                3s
                   +0 :               0.00002606674994
                2p
                   -1 :              -0.00004035440436
                   +0 :              -0.00010490100156
                   +1 :               0.00026655988545
                3p
                   -1 :               0.00000412520675
                   +0 :               0.00011576052782
                   +1 :              -0.00014946555358
                3d
                   -2 :              -0.00001055447554
                   -1 :               0.00001011109925
                   +0 :              -0.00001425723662
                   +1 :               0.00000671226158
                   +2 :               0.00001340366217
             11 vec=    -2.803193    -13.838431     -8.182514   |vec|=   16.319118
                1s
                   +0 :              -0.00001288492720
                2s
                   +0 :               0.00014056997916
                3s
                   +0 :              -0.00002609933707
                2p
                   -1 :              -0.00012130313843
                   +0 :              -0.00007642234602
                   +1 :               0.00009762783368
                3p
                   -1 :               0.00003060731661
                   +0 :               0.00004753355875
                   +1 :              -0.00011244979383
                3d
                   -2 :               0.00001123838458
                   -1 :               0.00001156241633
                   +0 :              -0.00000624893244
                   +1 :               0.00000732308255
                   +2 :              -0.00000057717724
             12 vec=   -10.583355     -9.346552     -8.182514   |vec|=   16.319283
                1s
                   +0 :              -0.00001517828252
                2s
                   +0 :               0.00008006995135
                3s
                   +0 :              -0.00007647492199
                2p
                   -1 :               0.00003539608805
                   +0 :               0.00003452162084
                   +1 :              -0.00008802500449
                3p
                   -1 :              -0.00000560894616
                   +0 :               0.00000730313210
                   +1 :               0.00007236294468
                3d
                   -2 :              -0.00001379624746
                   -1 :              -0.00001113357198
                   +0 :              -0.00000555405397
                   +1 :               0.00000310080061
                   +2 :               0.00000005515045
             13 vec=     4.976970     -0.362794     16.365028   |vec|=   17.108945
                1s
                   +0 :              -0.00000908016228
                2s
                   +0 :               0.00005154505572
                3s
                   +0 :              -0.00003957571876
                2p
                   -1 :              -0.00001479825399
                   +0 :               0.00006044376671
                   +1 :              -0.00004260170699
                3p
                   -1 :               0.00003351457518
                   +0 :              -0.00002303489121
                   +1 :               0.00001916768998
                3d
                   -2 :               0.00000149262368
                   -1 :              -0.00000257331569
                   +0 :              -0.00000387400359
                   +1 :              -0.00000117405681
                   +2 :               0.00000120582135
             14 vec=    -2.803193      4.129085     16.365028   |vec|=   17.109102
                1s
                   +0 :              -0.00000975668508
                2s
                   +0 :               0.00009960832180
                3s
                   +0 :              -0.00001963767969
                2p
                   -1 :               0.00002844607623
                   +0 :               0.00009731354713
                   +1 :              -0.00004087128989
                3p
                   -1 :              -0.00001709007256
                   +0 :              -0.00002305490308
                   +1 :               0.00001832261651
                3d
                   -2 :               0.00000392883849
                   -1 :              -0.00000211632822
                   +0 :               0.00000097088502
                   +1 :               0.00000113551648
                   +2 :              -0.00000139795933
             15 vec=    -2.803193     -4.854673     16.365028   |vec|=   17.298552
                1s
                   +0 :               0.00000507041488
                2s
                   +0 :              -0.00005852085447
                3s
                   +0 :               0.00000286592495
                2p
                   -1 :               0.00005983747506
                   +0 :               0.00000085013578
                   +1 :              -0.00013103684962
                3p
                   -1 :              -0.00001707993497
                   +0 :              -0.00007584332471
                   +1 :               0.00005439599818
                3d
                   -2 :               0.00000431978792
                   -1 :               0.00000286944678
                   +0 :              -0.00000622686900
                   +1 :              -0.00000193286797
                   +2 :               0.00000411738134
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 24)  npairs=  15
              1 vec=     2.593388     -4.491280     -8.182514   |vec|=    9.687662
                1s
                   +0 :               0.00027999245873
                2s
                   +0 :              -0.00166145759240
                3s
                   +0 :               0.00085520529240
                2p
                   -1 :               0.00339851513382
                   +0 :               0.00103275363387
                   +1 :              -0.00137879998827
                3p
                   -1 :              -0.00247754853561
                   +0 :               0.00016571527419
                   +1 :               0.00042523185753
                3d
                   -2 :              -0.00002103869763
                   -1 :               0.00008259644074
                   +0 :              -0.00011353736007
                   +1 :              -0.00001618724047
                   +2 :              -0.00016449903069
              2 vec=    -5.186775      0.000599     -8.182514   |vec|=    9.687940
                1s
                   +0 :              -0.00000898235697
                2s
                   +0 :              -0.00062380090029
                3s
                   +0 :              -0.00054940940725
                2p
                   -1 :               0.00081521465733
                   +0 :               0.00230694569168
                   +1 :               0.00109171393991
                3p
                   -1 :               0.00005466267590
                   +0 :              -0.00039680790974
                   +1 :               0.00015872182747
                3d
                   -2 :               0.00012477974904
                   -1 :              -0.00008023529993
                   +0 :               0.00003927713131
                   +1 :              -0.00011461872774
                   +2 :              -0.00006461851844
              3 vec=     2.593388      4.492478     -8.182514   |vec|=    9.688217
                1s
                   +0 :              -0.00018922968891
                2s
                   +0 :               0.00185405468590
                3s
                   +0 :              -0.00011585281268
                2p
                   -1 :               0.00105261695451
                   +0 :              -0.00060008793079
                   +1 :              -0.00107585672265
                3p
                   -1 :              -0.00006231312352
                   +0 :              -0.00028007582357
                   +1 :               0.00041751868002
                3d
                   -2 :              -0.00012189027383
                   -1 :              -0.00004479323055
                   +0 :               0.00002069329401
                   +1 :               0.00005401795198
                   +2 :               0.00006087228858
              4 vec=    -5.186775     -8.983159     -8.182514   |vec|=   13.211863
                1s
                   +0 :              -0.00000513122867
                2s
                   +0 :              -0.00017448057856
                3s
                   +0 :               0.00005300086115
                2p
                   -1 :              -0.00013305507245
                   +0 :               0.00045153722163
                   +1 :               0.00044730311141
                3p
                   -1 :               0.00000546155088
                   +0 :              -0.00021563940673
                   +1 :              -0.00038853189202
                3d
                   -2 :               0.00003477405328
                   -1 :              -0.00000632811922
                   +0 :               0.00004345929037
                   +1 :               0.00001842843259
                   +2 :               0.00001727554672
              5 vec=    10.373550      0.000599     -8.182514   |vec|=   13.212270
                1s
                   +0 :              -0.00000584658938
                2s
                   +0 :               0.00020811603765
                3s
                   +0 :               0.00001801138315
                2p
                   -1 :               0.00003098960984
                   +0 :               0.00023561143295
                   +1 :               0.00015053780158
                3p
                   -1 :              -0.00001614485994
                   +0 :              -0.00031869619254
                   +1 :              -0.00004943937914
                3d
                   -2 :              -0.00002217881804
                   -1 :               0.00004194748730
                   +0 :               0.00002017625565
                   +1 :              -0.00002812021943
                   +2 :              -0.00000020099995
              6 vec=    -5.186775      8.984357     -8.182514   |vec|=   13.212677
                1s
                   +0 :              -0.00004191125286
                2s
                   +0 :               0.00002082982223
                3s
                   +0 :              -0.00028819962418
                2p
                   -1 :              -0.00016368594739
                   +0 :              -0.00004517948349
                   +1 :              -0.00041899321465
                3p
                   -1 :              -0.00010005898004
                   +0 :               0.00006106409239
                   +1 :               0.00045274208953
                3d
                   -2 :               0.00007497678706
                   -1 :               0.00004761206307
                   +0 :               0.00001636347430
                   +1 :              -0.00005139334425
                   +2 :              -0.00003227590022
              7 vec=     2.593388    -13.475038     -8.182514   |vec|=   15.976728
                1s
                   +0 :               0.00002684987248
                2s
                   +0 :              -0.00010952899142
                3s
                   +0 :               0.00007124246909
                2p
                   -1 :               0.00001864612943
                   +0 :              -0.00002907419376
                   +1 :              -0.00009382593327
                3p
                   -1 :               0.00000544963185
                   +0 :              -0.00001467317119
                   +1 :               0.00012707736912
                3d
                   -2 :              -0.00001376935448
                   -1 :               0.00001043979120
                   +0 :               0.00001194882214
                   +1 :              -0.00001294710106
                   +2 :               0.00000449192412
              8 vec=    10.373550     -8.983159     -8.182514   |vec|=   15.976897
                1s
                   +0 :              -0.00001144279543
                2s
                   +0 :               0.00011936410112
                3s
                   +0 :               0.00000151925595
                2p
                   -1 :               0.00002523512828
                   +0 :              -0.00004608631566
                   +1 :               0.00010145047868
                3p
                   -1 :              -0.00008016248745
                   +0 :              -0.00001527417831
                   +1 :              -0.00001677906899
                3d
                   -2 :              -0.00001260675139
                   -1 :              -0.00000080623815
                   +0 :              -0.00000502399361
                   +1 :              -0.00000932001588
                   +2 :              -0.00000914581353
              9 vec=   -12.966938     -4.491280     -8.182514   |vec|=   15.977065
                1s
                   +0 :               0.00004212698479
                2s
                   +0 :              -0.00029506540264
                3s
                   +0 :               0.00009716690425
                2p
                   -1 :              -0.00012601159360
                   +0 :               0.00018817368934
                   +1 :              -0.00002667115313
                3p
                   -1 :               0.00015841332717
                   +0 :              -0.00013733733638
                   +1 :               0.00009499437252
                3d
                   -2 :              -0.00002223057775
                   -1 :               0.00000185670261
                   +0 :               0.00000248462910
                   +1 :               0.00000817749141
                   +2 :              -0.00000211649608
             10 vec=   -12.966938      4.492478     -8.182514   |vec|=   15.977402
                1s
                   +0 :              -0.00001985527467
                2s
                   +0 :               0.00014728606626
                3s
                   +0 :              -0.00008462470439
                2p
                   -1 :               0.00013872466942
                   +0 :              -0.00021222260812
                   +1 :              -0.00024219296793
                3p
                   -1 :              -0.00004887779126
                   +0 :               0.00017842281963
                   +1 :               0.00016396799830
                3d
                   -2 :              -0.00001117272336
                   -1 :              -0.00000475703781
                   +0 :              -0.00000450538967
                   +1 :              -0.00000601067726
                   +2 :              -0.00000228321543
             11 vec=    10.373550      8.984357     -8.182514   |vec|=   15.977570
                1s
                   +0 :               0.00005974852581
                2s
                   +0 :              -0.00043690331634
                3s
                   +0 :               0.00014518340643
                2p
                   -1 :              -0.00012079435660
                   +0 :              -0.00029949375994
                   +1 :              -0.00019017871587
                3p
                   -1 :              -0.00002854339089
                   +0 :               0.00017705871660
                   +1 :               0.00014529626011
                3d
                   -2 :              -0.00000055912299
                   -1 :               0.00000048540800
                   +0 :               0.00000919979785
                   +1 :               0.00000330240476
                   +2 :               0.00001746612545
             12 vec=     2.593388     13.476236     -8.182514   |vec|=   15.977739
                1s
                   +0 :              -0.00001923433443
                2s
                   +0 :               0.00014890153693
                3s
                   +0 :              -0.00004733345730
                2p
                   -1 :               0.00001636367921
                   +0 :               0.00000054788471
                   +1 :               0.00003102960916
                3p
                   -1 :               0.00001760643768
                   +0 :              -0.00002255223917
                   +1 :               0.00001297772630
                3d
                   -2 :               0.00001327077058
                   -1 :               0.00000459783835
                   +0 :              -0.00000610880301
                   +1 :              -0.00001534421176
                   +2 :               0.00000196237040
             13 vec=     2.593388     -4.491280     16.365028   |vec|=   17.167161
                1s
                   +0 :               0.00001452349758
                2s
                   +0 :              -0.00006097666252
                3s
                   +0 :               0.00005021255313
                2p
                   -1 :              -0.00002068930367
                   +0 :              -0.00001390470579
                   +1 :              -0.00010642948456
                3p
                   -1 :               0.00000205153374
                   +0 :               0.00006058852626
                   +1 :               0.00006094260954
                3d
                   -2 :              -0.00000198604092
                   -1 :              -0.00000299214860
                   +0 :              -0.00000146440554
                   +1 :              -0.00000034663797
                   +2 :              -0.00000405058836
             14 vec=    -5.186775      0.000599     16.365028   |vec|=   17.167317
                1s
                   +0 :               0.00000730750496
                2s
                   +0 :              -0.00003444324425
                3s
                   +0 :               0.00002520530444
                2p
                   -1 :              -0.00003799766681
                   +0 :              -0.00003132004457
                   +1 :              -0.00005497510254
                3p
                   -1 :               0.00000993064402
                   +0 :               0.00001937172076
                   +1 :               0.00001409635274
                3d
                   -2 :               0.00000340746181
                   -1 :              -0.00000381245011
                   +0 :               0.00000172715546
                   +1 :               0.00000359835480
                   +2 :              -0.00000142799837
             15 vec=     2.593388      4.492478     16.365028   |vec|=   17.167474
                1s
                   +0 :               0.00001972000573
                2s
                   +0 :              -0.00015461138543
                3s
                   +0 :               0.00006191260358
                2p
                   -1 :               0.00013033245508
                   +0 :              -0.00011935697970
                   +1 :              -0.00009031674213
                3p
                   -1 :              -0.00007717201018
                   +0 :               0.00003167830034
                   +1 :               0.00001937684889
                3d
                   -2 :               0.00000078907579
                   -1 :              -0.00000528222518
                   +0 :              -0.00000853097301
                   +1 :              -0.00000209251338
                   +2 :              -0.00000417142413
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 25)  npairs=  14
              1 vec=     2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00003323566357
                2s
                   +0 :              -0.00023970473570
                3s
                   +0 :               0.00019351865503
                2p
                   -1 :              -0.00016230295512
                   +0 :               0.00020643817859
                   +1 :              -0.00031085712249
                3p
                   -1 :               0.00013343449786
                   +0 :              -0.00018318123476
                   +1 :               0.00018896767045
                3d
                   -2 :              -0.00000282958690
                   -1 :              -0.00002758152615
                   +0 :               0.00000363976969
                   +1 :               0.00000654900752
                   +2 :              -0.00001141939997
              2 vec=     2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00005226822420
                2s
                   +0 :               0.00061627584156
                3s
                   +0 :              -0.00016555487269
                2p
                   -1 :              -0.00026656481755
                   +0 :               0.00030609186837
                   +1 :              -0.00013294610116
                3p
                   -1 :               0.00016375162592
                   +0 :              -0.00017999966734
                   +1 :               0.00003455079596
                3d
                   -2 :              -0.00000845770869
                   -1 :               0.00000271436225
                   +0 :              -0.00001276285253
                   +1 :              -0.00000439782281
                   +2 :               0.00001816653446
              3 vec=    -5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :               0.00002087010957
                2s
                   +0 :              -0.00030408197114
                3s
                   +0 :              -0.00000205135772
                2p
                   -1 :               0.00036518470773
                   +0 :               0.00032212479713
                   +1 :               0.00005655204606
                3p
                   -1 :              -0.00003426420130
                   +0 :              -0.00003568095458
                   +1 :              -0.00006207595643
                3d
                   -2 :              -0.00002494172360
                   -1 :              -0.00002827919891
                   +0 :              -0.00003628441693
                   +1 :              -0.00000579789059
                   +2 :               0.00001749543384
              4 vec=    -5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001933547635
                2s
                   +0 :              -0.00020617310161
                3s
                   +0 :              -0.00021186690832
                2p
                   -1 :               0.00038496240086
                   +0 :              -0.00012138151994
                   +1 :              -0.00036972263983
                3p
                   -1 :              -0.00005787231668
                   +0 :              -0.00031690920970
                   +1 :               0.00024820130352
                3d
                   -2 :              -0.00000418314755
                   -1 :               0.00003852874910
                   +0 :              -0.00005054882966
                   +1 :               0.00002444943970
                   +2 :               0.00000025009746
              5 vec=     2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00002932531130
                2s
                   +0 :               0.00013168295873
                3s
                   +0 :              -0.00009373284680
                2p
                   -1 :               0.00013828382301
                   +0 :              -0.00018488422867
                   +1 :               0.00027554914099
                3p
                   -1 :              -0.00007234519223
                   +0 :               0.00024649349034
                   +1 :              -0.00024180738454
                3d
                   -2 :               0.00000333765409
                   -1 :              -0.00001375481055
                   +0 :              -0.00003287588386
                   +1 :               0.00001832346839
                   +2 :               0.00000886992266
              6 vec=     2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00000307055300
                2s
                   +0 :               0.00000245157000
                3s
                   +0 :              -0.00000761246323
                2p
                   -1 :              -0.00027953376996
                   +0 :               0.00025244503732
                   +1 :              -0.00005548507469
                3p
                   -1 :               0.00023671502122
                   +0 :              -0.00029463489338
                   +1 :               0.00003365890159
                3d
                   -2 :               0.00001900550002
                   -1 :               0.00002534294349
                   +0 :              -0.00002255335404
                   +1 :               0.00000901573741
                   +2 :               0.00002328835065
              7 vec=    -5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00007158992022
                2s
                   +0 :              -0.00069570558906
                3s
                   +0 :               0.00015211404656
                2p
                   -1 :              -0.00031460226879
                   +0 :               0.00047183099466
                   +1 :               0.00018748266663
                3p
                   -1 :               0.00015417982903
                   +0 :              -0.00012165006256
                   +1 :              -0.00004546617115
                3d
                   -2 :              -0.00000008176848
                   -1 :              -0.00000072225647
                   +0 :              -0.00000539077369
                   +1 :              -0.00001955347669
                   +2 :              -0.00000259291087
              8 vec=    -5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :               0.00003268276015
                2s
                   +0 :              -0.00033180825106
                3s
                   +0 :               0.00008927063103
                2p
                   -1 :               0.00011916452551
                   +0 :              -0.00015492644716
                   +1 :               0.00015171527785
                3p
                   -1 :              -0.00006515990221
                   +0 :               0.00001087720579
                   +1 :              -0.00001398751895
                3d
                   -2 :               0.00001075359663
                   -1 :               0.00000859301125
                   +0 :               0.00000708632174
                   +1 :               0.00001484560363
                   +2 :              -0.00000705186967
              9 vec=    10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00000618296150
                2s
                   +0 :               0.00004373822308
                3s
                   +0 :              -0.00000750334450
                2p
                   -1 :              -0.00008344838510
                   +0 :               0.00009483226720
                   +1 :              -0.00000107659438
                3p
                   -1 :               0.00006755115656
                   +0 :              -0.00012132047066
                   +1 :               0.00002612607197
                3d
                   -2 :               0.00000763251012
                   -1 :              -0.00000622960747
                   +0 :               0.00000562450044
                   +1 :              -0.00000250579123
                   +2 :               0.00000314484987
             10 vec=    10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :              -0.00003851329917
                2s
                   +0 :               0.00025279173193
                3s
                   +0 :              -0.00011579490749
                2p
                   -1 :              -0.00017928331747
                   +0 :               0.00028097719103
                   +1 :               0.00015806709980
                3p
                   -1 :               0.00015736967402
                   +0 :              -0.00015289757624
                   +1 :              -0.00010199006432
                3d
                   -2 :               0.00000183528532
                   -1 :               0.00001060698312
                   +0 :              -0.00000761529047
                   +1 :              -0.00001701779515
                   +2 :              -0.00001092110815
             11 vec=     2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00002009793696
                2s
                   +0 :               0.00019601738744
                3s
                   +0 :              -0.00006831521360
                2p
                   -1 :               0.00009676365461
                   +0 :              -0.00014607049825
                   +1 :               0.00005254922231
                3p
                   -1 :              -0.00005951620819
                   +0 :               0.00006699167542
                   +1 :              -0.00004134077820
                3d
                   -2 :               0.00000124287740
                   -1 :               0.00000338506101
                   +0 :               0.00000359169287
                   +1 :               0.00000123825712
                   +2 :               0.00000418983199
             12 vec=     2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001806158119
                2s
                   +0 :               0.00011422915518
                3s
                   +0 :              -0.00004097957549
                2p
                   -1 :               0.00010980631201
                   +0 :               0.00004138229256
                   +1 :              -0.00003354948056
                3p
                   -1 :              -0.00007005467118
                   +0 :              -0.00000510452762
                   +1 :              -0.00000108305592
                3d
                   -2 :              -0.00000090047292
                   -1 :               0.00000117257820
                   +0 :               0.00000652887729
                   +1 :              -0.00000078536740
                   +2 :               0.00000007873514
             13 vec=    10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00007115320426
                2s
                   +0 :              -0.00059985987252
                3s
                   +0 :               0.00012759251975
                2p
                   -1 :               0.00013347129774
                   +0 :               0.00015200739008
                   +1 :               0.00018811043785
                3p
                   -1 :              -0.00014220926619
                   +0 :               0.00000976659394
                   +1 :              -0.00017299442367
                3d
                   -2 :              -0.00001557493082
                   -1 :               0.00001808620668
                   +0 :              -0.00002216223680
                   +1 :               0.00000588252516
                   +2 :              -0.00000483431636
             14 vec=    10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :              -0.00000611597558
                2s
                   +0 :               0.00009933537400
                3s
                   +0 :               0.00000212690082
                2p
                   -1 :               0.00006235126212
                   +0 :               0.00004583759512
                   +1 :               0.00007923507395
                3p
                   -1 :              -0.00001391325091
                   +0 :               0.00001295444498
                   +1 :              -0.00000005064897
                3d
                   -2 :              -0.00000201095510
                   -1 :              -0.00000186159963
                   +0 :               0.00000099134412
                   +1 :              -0.00000144787252
                   +2 :              -0.00000230309114
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 26)  npairs=  14
              1 vec=    -2.383582      1.376761    -12.273771   |vec|=   12.578648
                1s
                   +0 :               0.00004773612019
                2s
                   +0 :              -0.00056765289840
                3s
                   +0 :               0.00013375980272
                2p
                   -1 :               0.00002882622881
                   +0 :               0.00008905412369
                   +1 :               0.00009481346722
                3p
                   -1 :              -0.00001846883423
                   +0 :               0.00004594565488
                   +1 :              -0.00017581221953
                3d
                   -2 :              -0.00000769873000
                   -1 :              -0.00000091046896
                   +0 :               0.00000878747902
                   +1 :               0.00001796872624
                   +2 :              -0.00000477346890
              2 vec=    -2.383582      1.376761     12.273771   |vec|=   12.578648
                1s
                   +0 :              -0.00003351720257
                2s
                   +0 :               0.00037761639291
                3s
                   +0 :              -0.00015397007117
                2p
                   -1 :               0.00000340684413
                   +0 :               0.00018197367009
                   +1 :              -0.00016509428218
                3p
                   -1 :               0.00007274690622
                   +0 :              -0.00005199082986
                   +1 :               0.00003741330821
                3d
                   -2 :              -0.00001576241639
                   -1 :              -0.00000952082334
                   +0 :               0.00001795900183
                   +1 :              -0.00001016928186
                   +2 :               0.00001459580195
              3 vec=     5.396580     -3.115118    -12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00001335230412
                2s
                   +0 :               0.00038968475698
                3s
                   +0 :               0.00012870422518
                2p
                   -1 :              -0.00037758727339
                   +0 :              -0.00011125218816
                   +1 :              -0.00034755723368
                3p
                   -1 :               0.00014318071798
                   +0 :              -0.00021699087957
                   +1 :               0.00028401019822
                3d
                   -2 :              -0.00001275604592
                   -1 :               0.00003074964298
                   +0 :               0.00005175931766
                   +1 :              -0.00003753796196
                   +2 :               0.00000507522342
              4 vec=     5.396580     -3.115118     12.273771   |vec|=   13.764901
                1s
                   +0 :              -0.00000768245521
                2s
                   +0 :               0.00028900878082
                3s
                   +0 :               0.00001755316765
                2p
                   -1 :              -0.00043085076965
                   +0 :               0.00033414084035
                   +1 :              -0.00002112236787
                3p
                   -1 :               0.00013298994410
                   +0 :              -0.00006547519977
                   +1 :              -0.00004993931250
                3d
                   -2 :              -0.00001859281795
                   -1 :              -0.00001348543324
                   +0 :               0.00002107040287
                   +1 :              -0.00000185074588
                   +2 :              -0.00002425607901
              5 vec=    -2.383582     -7.606997    -12.273771   |vec|=   14.635345
                1s
                   +0 :              -0.00007090000772
                2s
                   +0 :               0.00060645664695
                3s
                   +0 :              -0.00015102517749
                2p
                   -1 :               0.00014466539776
                   +0 :              -0.00002679259455
                   +1 :               0.00000160416107
                3p
                   -1 :              -0.00022682285223
                   +0 :              -0.00018436277508
                   +1 :              -0.00000662240530
                3d
                   -2 :               0.00001413312719
                   -1 :               0.00003026043782
                   +0 :               0.00002794756592
                   +1 :              -0.00001245197089
                   +2 :              -0.00003574567099
              6 vec=    -2.383582     -7.606997     12.273771   |vec|=   14.635345
                1s
                   +0 :               0.00001262616906
                2s
                   +0 :              -0.00000033108513
                3s
                   +0 :               0.00006473253812
                2p
                   -1 :              -0.00009583183723
                   +0 :              -0.00012845429197
                   +1 :               0.00021417472347
                3p
                   -1 :               0.00003204679210
                   +0 :               0.00023211452027
                   +1 :              -0.00020152444357
                3d
                   -2 :               0.00000152947189
                   -1 :              -0.00001537152522
                   +0 :               0.00003724593962
                   +1 :              -0.00001765077123
                   +2 :              -0.00000844323115
              7 vec=     5.396580      5.868640    -12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00004412441294
                2s
                   +0 :               0.00037211891719
                3s
                   +0 :              -0.00011866080933
                2p
                   -1 :              -0.00002383063654
                   +0 :              -0.00020676970534
                   +1 :               0.00005686910574
                3p
                   -1 :               0.00003937763609
                   +0 :               0.00004292890125
                   +1 :               0.00002956128252
                3d
                   -2 :              -0.00000615720225
                   -1 :              -0.00000280201075
                   +0 :              -0.00000502922797
                   +1 :              -0.00000852030814
                   +2 :              -0.00000469787901
              8 vec=     5.396580      5.868640     12.273771   |vec|=   14.635897
                1s
                   +0 :              -0.00009652007270
                2s
                   +0 :               0.00083770720515
                3s
                   +0 :              -0.00021601739301
                2p
                   -1 :               0.00030278172514
                   +0 :               0.00057132613810
                   +1 :               0.00023147802361
                3p
                   -1 :              -0.00016476121532
                   +0 :              -0.00016550616637
                   +1 :              -0.00007321919234
                3d
                   -2 :              -0.00001250925377
                   -1 :              -0.00000825931680
                   +0 :               0.00000636452902
                   +1 :               0.00002336144366
                   +2 :               0.00000182015720
              9 vec=   -10.163745     -3.115118    -12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00003531230723
                2s
                   +0 :              -0.00025499157082
                3s
                   +0 :               0.00009058229156
                2p
                   -1 :               0.00024311032983
                   +0 :               0.00024480292865
                   +1 :               0.00022998513164
                3p
                   -1 :              -0.00020988916701
                   +0 :              -0.00011785764608
                   +1 :              -0.00015593593029
                3d
                   -2 :               0.00000765798537
                   -1 :               0.00001412213269
                   +0 :               0.00000736846406
                   +1 :               0.00001771788089
                   +2 :               0.00000532251501
             10 vec=   -10.163745     -3.115118     12.273771   |vec|=   16.237338
                1s
                   +0 :               0.00000131145888
                2s
                   +0 :              -0.00002256467720
                3s
                   +0 :              -0.00000122814146
                2p
                   -1 :               0.00022833451740
                   +0 :               0.00014060963079
                   +1 :              -0.00007799263424
                3p
                   -1 :              -0.00020420917651
                   +0 :              -0.00018484906640
                   +1 :               0.00008405534080
                3d
                   -2 :               0.00001132298524
                   -1 :              -0.00002340412492
                   +0 :              -0.00000949290010
                   +1 :               0.00000708211578
                   +2 :              -0.00001245812769
             11 vec=    -2.383582     10.360519    -12.273771   |vec|=   16.237835
                1s
                   +0 :              -0.00001552909919
                2s
                   +0 :               0.00010511233518
                3s
                   +0 :              -0.00003313489656
                2p
                   -1 :              -0.00009646698838
                   +0 :              -0.00006011587887
                   +1 :               0.00009111701652
                3p
                   -1 :               0.00008397420804
                   +0 :               0.00006071983416
                   +1 :              -0.00011942768333
                3d
                   -2 :              -0.00000767527458
                   -1 :              -0.00000173088896
                   +0 :              -0.00000378515836
                   +1 :               0.00001073510929
                   +2 :              -0.00000852622908
             12 vec=    -2.383582     10.360519     12.273771   |vec|=   16.237835
                1s
                   +0 :               0.00001029699406
                2s
                   +0 :              -0.00007821343196
                3s
                   +0 :               0.00004068052607
                2p
                   -1 :              -0.00014269492521
                   +0 :              -0.00006540653038
                   +1 :              -0.00012087942925
                3p
                   -1 :               0.00010278430741
                   +0 :               0.00003409512716
                   +1 :               0.00011232303879
                3d
                   -2 :               0.00000550156942
                   -1 :               0.00000760418177
                   +0 :              -0.00000150351915
                   +1 :               0.00000682743844
                   +2 :              -0.00000356642395
             13 vec=   -10.163745      5.868640    -12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00000669980334
                2s
                   +0 :              -0.00010617754842
                3s
                   +0 :              -0.00000344545213
                2p
                   -1 :              -0.00002921506653
                   +0 :               0.00009628479940
                   +1 :               0.00008374036555
                3p
                   -1 :              -0.00001789112274
                   +0 :              -0.00001573265881
                   +1 :               0.00001419403036
                3d
                   -2 :               0.00000095655296
                   -1 :               0.00000329686082
                   +0 :              -0.00000032789104
                   +1 :              -0.00000350144665
                   +2 :              -0.00000022687104
             14 vec=   -10.163745      5.868640     12.273771   |vec|=   16.981994
                1s
                   +0 :               0.00001718619953
                2s
                   +0 :              -0.00018572589907
                3s
                   +0 :               0.00004901107866
                2p
                   -1 :              -0.00008946049973
                   +0 :              -0.00016702251189
                   +1 :               0.00017409153642
                3p
                   -1 :               0.00002730207090
                   +0 :               0.00004637986665
                   +1 :              -0.00008720462738
                3d
                   -2 :               0.00000414470501
                   -1 :              -0.00000195202450
                   +0 :               0.00000213737057
                   +1 :              -0.00000227655396
                   +2 :               0.00000038038376
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 27)  npairs=  18
              1 vec=     0.000000     -3.478511    -12.273771   |vec|=   12.757174
                1s
                   +0 :               0.00011944039773
                2s
                   +0 :              -0.00079873349164
                3s
                   +0 :               0.00045079965110
                2p
                   -1 :               0.00005558668868
                   +0 :               0.00052547522848
                   +1 :               0.00021688233782
                3p
                   -1 :               0.00002778142812
                   +0 :              -0.00044169823631
                   +1 :              -0.00020797255156
                3d
                   -2 :               0.00002241944543
                   -1 :               0.00000461807364
                   +0 :               0.00004871816137
                   +1 :               0.00002310957971
                   +2 :               0.00000465178964
              2 vec=     0.000000     -3.478511     12.273771   |vec|=   12.757174
                1s
                   +0 :              -0.00011446458366
                2s
                   +0 :               0.00087656121602
                3s
                   +0 :              -0.00044112680456
                2p
                   -1 :               0.00006434976738
                   +0 :               0.00067715628507
                   +1 :               0.00033923571278
                3p
                   -1 :              -0.00010060735086
                   +0 :              -0.00057395761776
                   +1 :              -0.00020003595792
                3d
                   -2 :               0.00001241181869
                   -1 :              -0.00000236229524
                   +0 :              -0.00005701898386
                   +1 :              -0.00000259692173
                   +2 :              -0.00001647979251
              3 vec=     0.000000      5.505247    -12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00003716299393
                2s
                   +0 :               0.00034019742956
                3s
                   +0 :              -0.00008903400234
                2p
                   -1 :              -0.00008316403763
                   +0 :              -0.00016921974487
                   +1 :              -0.00058611728387
                3p
                   -1 :               0.00003242243398
                   +0 :               0.00013541328367
                   +1 :               0.00013511635438
                3d
                   -2 :              -0.00002128570620
                   -1 :               0.00000416105872
                   +0 :               0.00000590754862
                   +1 :               0.00004123058751
                   +2 :              -0.00001181060118
              4 vec=     0.000000      5.505247     12.273771   |vec|=   13.451885
                1s
                   +0 :              -0.00004866960193
                2s
                   +0 :               0.00017795721299
                3s
                   +0 :              -0.00015633355960
                2p
                   -1 :               0.00017128719169
                   +0 :               0.00012526244539
                   +1 :              -0.00048329902173
                3p
                   -1 :              -0.00009875273553
                   +0 :              -0.00017833361689
                   +1 :              -0.00004981239189
                3d
                   -2 :              -0.00001947067823
                   -1 :              -0.00000453886701
                   +0 :              -0.00001810646707
                   +1 :              -0.00005524394328
                   +2 :               0.00001084594097
              5 vec=    -7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00005179258186
                2s
                   +0 :              -0.00069727755168
                3s
                   +0 :               0.00008651183631
                2p
                   -1 :              -0.00015541167659
                   +0 :               0.00035018536831
                   +1 :              -0.00011952335448
                3p
                   -1 :               0.00007534553587
                   +0 :               0.00004752190763
                   +1 :               0.00022736718730
                3d
                   -2 :               0.00002967097346
                   -1 :              -0.00000679541093
                   +0 :              -0.00003230655854
                   +1 :              -0.00002705659127
                   +2 :              -0.00001959175064
              6 vec=    -7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :               0.00003870908570
                2s
                   +0 :              -0.00037236618973
                3s
                   +0 :               0.00011558642379
                2p
                   -1 :              -0.00032599622787
                   +0 :              -0.00032459833166
                   +1 :               0.00001534726352
                3p
                   -1 :               0.00016733464181
                   +0 :               0.00013418562451
                   +1 :               0.00004544615980
                3d
                   -2 :               0.00000872017751
                   -1 :               0.00000049221765
                   +0 :               0.00001759845364
                   +1 :               0.00000519311188
                   +2 :              -0.00000214123803
              7 vec=     7.780163      1.013368    -12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00006988106743
                2s
                   +0 :               0.00049330319066
                3s
                   +0 :              -0.00020197254126
                2p
                   -1 :               0.00009463664480
                   +0 :              -0.00040553010402
                   +1 :              -0.00002612154740
                3p
                   -1 :              -0.00000129628852
                   +0 :               0.00021903959290
                   +1 :               0.00013803041045
                3d
                   -2 :              -0.00000563042234
                   -1 :              -0.00000628356363
                   +0 :              -0.00001005549867
                   +1 :              -0.00001405704952
                   +2 :               0.00000698240129
              8 vec=     7.780163      1.013368     12.273771   |vec|=   14.567200
                1s
                   +0 :              -0.00003647564551
                2s
                   +0 :               0.00068227627184
                3s
                   +0 :              -0.00003611197302
                2p
                   -1 :               0.00023872607215
                   +0 :               0.00033937874837
                   +1 :              -0.00004297413929
                3p
                   -1 :              -0.00009262463902
                   +0 :               0.00012099034222
                   +1 :               0.00022043118994
                3d
                   -2 :               0.00002893479279
                   -1 :               0.00000507926027
                   +0 :               0.00003210165000
                   +1 :               0.00002568899655
                   +2 :               0.00001701720062
              9 vec=    -7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00003088785708
                2s
                   +0 :               0.00018163240887
                3s
                   +0 :              -0.00013213347395
                2p
                   -1 :              -0.00006249388956
                   +0 :              -0.00016906889334
                   +1 :              -0.00022954638224
                3p
                   -1 :               0.00009097587015
                   +0 :               0.00021505206677
                   +1 :               0.00018093003500
                3d
                   -2 :              -0.00000501078631
                   -1 :              -0.00000349648446
                   +0 :              -0.00001242605258
                   +1 :              -0.00000850314452
                   +2 :               0.00000109817453
             10 vec=    -7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000877947999
                2s
                   +0 :               0.00002140102620
                3s
                   +0 :              -0.00003450130812
                2p
                   -1 :              -0.00008759162726
                   +0 :               0.00003750175506
                   +1 :              -0.00000336309943
                3p
                   -1 :               0.00009650930211
                   +0 :              -0.00005392924990
                   +1 :               0.00001042004633
                3d
                   -2 :              -0.00000130837813
                   -1 :               0.00000788273076
                   +0 :              -0.00000236066454
                   +1 :              -0.00000958780583
                   +2 :               0.00000567480523
             11 vec=     7.780163     -7.970390    -12.273771   |vec|=   16.574182
                1s
                   +0 :              -0.00000718215958
                2s
                   +0 :               0.00008375141284
                3s
                   +0 :               0.00000396567534
                2p
                   -1 :               0.00002603012843
                   +0 :              -0.00001380472407
                   +1 :               0.00000252842070
                3p
                   -1 :              -0.00004962314147
                   +0 :              -0.00000710608121
                   +1 :               0.00003363762981
                3d
                   -2 :              -0.00000493999388
                   -1 :               0.00000480788106
                   +0 :              -0.00000138238478
                   +1 :               0.00000235625407
                   +2 :              -0.00000009239122
             12 vec=     7.780163     -7.970390     12.273771   |vec|=   16.574182
                1s
                   +0 :               0.00002712701423
                2s
                   +0 :              -0.00013707705927
                3s
                   +0 :               0.00012582063393
                2p
                   -1 :               0.00011256509116
                   +0 :              -0.00016583244065
                   +1 :              -0.00015924011468
                3p
                   -1 :              -0.00014065899964
                   +0 :               0.00022307201183
                   +1 :               0.00015668040221
                3d
                   -2 :              -0.00000668118794
                   -1 :              -0.00000905146068
                   +0 :               0.00001413077617
                   +1 :               0.00001162945941
                   +2 :              -0.00000450076957
             13 vec=     0.000000    -12.462269    -12.273771   |vec|=   17.491530
                1s
                   +0 :              -0.00000984524236
                2s
                   +0 :               0.00010361061800
                3s
                   +0 :              -0.00001502557303
                2p
                   -1 :              -0.00008165532636
                   +0 :               0.00002875719068
                   +1 :              -0.00001382790672
                3p
                   -1 :               0.00004213835524
                   +0 :              -0.00003595468406
                   +1 :               0.00003037629963
                3d
                   -2 :              -0.00000216506602
                   -1 :              -0.00000317110734
                   +0 :               0.00000594802427
                   +1 :              -0.00000211331462
                   +2 :               0.00000138758618
             14 vec=     0.000000    -12.462269     12.273771   |vec|=   17.491530
                1s
                   +0 :               0.00000540209806
                2s
                   +0 :              -0.00004425779307
                3s
                   +0 :               0.00001636361297
                2p
                   -1 :               0.00002483889055
                   +0 :              -0.00000518011685
                   +1 :              -0.00006324265182
                3p
                   -1 :              -0.00001154154848
                   +0 :              -0.00001514424424
                   +1 :               0.00005832374451
                3d
                   -2 :               0.00000002940994
                   -1 :              -0.00000157997238
                   +0 :              -0.00000201625611
                   +1 :               0.00000406527154
                   +2 :               0.00000049696802
             15 vec=    -7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001765043797
                2s
                   +0 :              -0.00016276023146
                3s
                   +0 :               0.00003728959297
                2p
                   -1 :              -0.00000997358543
                   +0 :               0.00006305353899
                   +1 :              -0.00000801632770
                3p
                   -1 :              -0.00003637003081
                   +0 :              -0.00001863576352
                   +1 :               0.00003895391879
                3d
                   -2 :               0.00000432918741
                   -1 :              -0.00000340432299
                   +0 :              -0.00000082260667
                   +1 :              -0.00000266146762
                   +2 :              -0.00000518577749
             16 vec=    -7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :              -0.00001084841483
                2s
                   +0 :               0.00006599007471
                3s
                   +0 :              -0.00003823462858
                2p
                   -1 :               0.00003196054586
                   +0 :               0.00009640309273
                   +1 :              -0.00002105664946
                3p
                   -1 :              -0.00003254103922
                   +0 :              -0.00007176354525
                   +1 :              -0.00000449491288
                3d
                   -2 :               0.00000552468478
                   -1 :              -0.00000707909004
                   +0 :              -0.00000546796141
                   +1 :               0.00000200937873
                   +2 :               0.00000027214289
             17 vec=     7.780163      9.997126    -12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00000575063914
                2s
                   +0 :              -0.00006176505823
                3s
                   +0 :               0.00000564993199
                2p
                   -1 :              -0.00011612398873
                   +0 :               0.00006464009477
                   +1 :               0.00006847117748
                3p
                   -1 :               0.00007219984302
                   +0 :              -0.00005667518383
                   +1 :              -0.00004572745450
                3d
                   -2 :              -0.00000238576703
                   -1 :              -0.00000602124471
                   +0 :               0.00000878666538
                   +1 :               0.00000574142297
                   +2 :               0.00000149954166
             18 vec=     7.780163      9.997126     12.273771   |vec|=   17.638563
                1s
                   +0 :               0.00001126859438
                2s
                   +0 :              -0.00004808694079
                3s
                   +0 :               0.00004621694096
                2p
                   -1 :               0.00003992326554
                   +0 :              -0.00002476401939
                   +1 :               0.00006566227544
                3p
                   -1 :              -0.00001314592519
                   +0 :               0.00001850649314
                   +1 :              -0.00004410079912
                3d
                   -2 :              -0.00000409797886
                   -1 :              -0.00000071497909
                   +0 :               0.00000359116045
                   +1 :              -0.00000416181669
                   +2 :               0.00000065756886
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 28)  npairs=  12
              1 vec=    -2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :               0.00338260444690
                2s
                   +0 :              -0.05969277602491
                3s
                   +0 :               0.00777492518118
                2p
                   -1 :              -0.02946380036996
                   +0 :              -0.00060914521525
                   +1 :               0.01000703687815
                3p
                   -1 :               0.00137721730849
                   +0 :               0.00198612973723
                   +1 :              -0.00269554009689
                3d
                   -2 :               0.00076671829727
                   -1 :              -0.00016005194543
                   +0 :               0.00184681155617
                   +1 :              -0.00042178799931
                   +2 :               0.00237206565108
              2 vec=    -2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00076949549711
                2s
                   +0 :              -0.01721945353698
                3s
                   +0 :              -0.00562320235347
                2p
                   -1 :               0.01215883862182
                   +0 :              -0.00574506761205
                   +1 :               0.00089618344543
                3p
                   -1 :               0.00897034873529
                   +0 :               0.00601311478891
                   +1 :               0.00245969691458
                3d
                   -2 :              -0.00142470163390
                   -1 :              -0.00043048297641
                   +0 :               0.00114730025432
                   +1 :              -0.00038888256616
                   +2 :               0.00194884633838
              3 vec=     5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :              -0.00194846907347
                2s
                   +0 :               0.05467632388583
                3s
                   +0 :              -0.00074003853539
                2p
                   -1 :              -0.00298299173616
                   +0 :              -0.00274713320214
                   +1 :               0.03889599283582
                3p
                   -1 :               0.00271481219157
                   +0 :               0.00322318607406
                   +1 :               0.00255856579450
                3d
                   -2 :              -0.00003025875578
                   -1 :               0.00113956091384
                   +0 :              -0.00165408161580
                   +1 :               0.00056902315664
                   +2 :               0.00311952644230
              4 vec=   -10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00097951318304
                2s
                   +0 :              -0.00860067499843
                3s
                   +0 :               0.00207406402758
                2p
                   -1 :              -0.00255456174177
                   +0 :               0.00018741283167
                   +1 :               0.00854747032399
                3p
                   -1 :               0.00201438398963
                   +0 :              -0.00001870496785
                   +1 :              -0.00149342808769
                3d
                   -2 :              -0.00017299550035
                   -1 :              -0.00011284852788
                   +0 :               0.00033523633995
                   +1 :              -0.00016716454562
                   +2 :              -0.00038259279124
              5 vec=     5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00028761596798
                2s
                   +0 :               0.00342156052038
                3s
                   +0 :              -0.00033859834855
                2p
                   -1 :               0.00354243005071
                   +0 :               0.00053435810944
                   +1 :               0.00249986537619
                3p
                   -1 :              -0.00068935563667
                   +0 :              -0.00028206510318
                   +1 :              -0.00044833269897
                3d
                   -2 :               0.00013916121121
                   -1 :               0.00003434250406
                   +0 :              -0.00000499686428
                   +1 :               0.00000865180136
                   +2 :              -0.00005085210537
              6 vec=     5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :              -0.00067459819849
                2s
                   +0 :               0.00498607681919
                3s
                   +0 :              -0.00186923918393
                2p
                   -1 :              -0.00432915078244
                   +0 :               0.00118998985163
                   +1 :               0.00146087591934
                3p
                   -1 :               0.00185535215822
                   +0 :              -0.00114898626676
                   +1 :              -0.00056013406074
                3d
                   -2 :               0.00003756672919
                   -1 :               0.00004096705416
                   +0 :               0.00000515780767
                   +1 :              -0.00006555461177
                   +2 :               0.00002386052932
              7 vec=   -10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00001466281588
                2s
                   +0 :              -0.00032471899012
                3s
                   +0 :              -0.00014378409943
                2p
                   -1 :               0.00006649730498
                   +0 :               0.00005312957328
                   +1 :               0.00011591776934
                3p
                   -1 :              -0.00005179821739
                   +0 :              -0.00005579730532
                   +1 :               0.00014836163619
                3d
                   -2 :              -0.00001372078123
                   -1 :              -0.00000143855273
                   +0 :               0.00000042914991
                   +1 :              -0.00000205280543
                   +2 :              -0.00001483948785
              8 vec=    -2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :              -0.00003476509981
                2s
                   +0 :               0.00038792245905
                3s
                   +0 :              -0.00006902202550
                2p
                   -1 :               0.00028005370331
                   +0 :               0.00010295066349
                   +1 :              -0.00021649286497
                3p
                   -1 :               0.00001119119880
                   +0 :              -0.00007974335226
                   +1 :              -0.00005229131084
                3d
                   -2 :              -0.00002205893819
                   -1 :               0.00000085657732
                   +0 :               0.00000007021531
                   +1 :               0.00000196873284
                   +2 :              -0.00003977340562
              9 vec=   -10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :               0.00004909700967
                2s
                   +0 :              -0.00072972947038
                3s
                   +0 :               0.00012215151313
                2p
                   -1 :              -0.00000335973810
                   +0 :              -0.00001006097151
                   +1 :               0.00059902223715
                3p
                   -1 :               0.00022846376088
                   +0 :               0.00002103163664
                   +1 :              -0.00025241178727
                3d
                   -2 :              -0.00002325268458
                   -1 :               0.00000122843304
                   +0 :               0.00002433027112
                   +1 :              -0.00001734722138
                   +2 :               0.00003114401899
             10 vec=    13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00000122457032
                2s
                   +0 :               0.00035450831087
                3s
                   +0 :               0.00008444224605
                2p
                   -1 :               0.00013234799393
                   +0 :               0.00014593046052
                   +1 :               0.00024348320213
                3p
                   -1 :               0.00022086036271
                   +0 :              -0.00013547955520
                   +1 :              -0.00000620409664
                3d
                   -2 :               0.00004357779667
                   -1 :               0.00000660745186
                   +0 :              -0.00003919454227
                   +1 :               0.00000563881561
                   +2 :              -0.00004287401425
             11 vec=    -2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00004566821918
                2s
                   +0 :               0.00036198809777
                3s
                   +0 :              -0.00010361476419
                2p
                   -1 :              -0.00036011188404
                   +0 :               0.00009606012061
                   +1 :              -0.00004374095207
                3p
                   -1 :               0.00008367219618
                   +0 :              -0.00009176123869
                   +1 :              -0.00009587289283
                3d
                   -2 :               0.00001974479428
                   -1 :               0.00000813457344
                   +0 :               0.00000272620940
                   +1 :               0.00000430822347
                   +2 :              -0.00001842111585
             12 vec=    13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :              -0.00009645728563
                2s
                   +0 :               0.00100654285141
                3s
                   +0 :              -0.00021423253577
                2p
                   -1 :              -0.00078906724014
                   +0 :              -0.00024201253260
                   +1 :               0.00028102444797
                3p
                   -1 :               0.00030956137933
                   +0 :               0.00020468920374
                   +1 :              -0.00015462864899
                3d
                   -2 :               0.00002054811894
                   -1 :               0.00000368517964
                   +0 :               0.00001913661636
                   +1 :               0.00000602987997
                   +2 :              -0.00002368590062
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 29)  npairs=  12
              1 vec=     2.384101      4.129384      0.000000   |vec|=    4.768202
                1s
                   +0 :              -0.00333745917869
                2s
                   +0 :               0.05927250748275
                3s
                   +0 :              -0.00756837338098
                2p
                   -1 :               0.02937447172209
                   +0 :              -0.00091471343697
                   +1 :               0.00967098621750
                3p
                   -1 :              -0.00148375831744
                   +0 :               0.00200040510964
                   +1 :              -0.00258703413762
                3d
                   -2 :               0.00075806293783
                   -1 :              -0.00019053446830
                   +0 :              -0.00180586794607
                   +1 :               0.00038846925937
                   +2 :              -0.00235145042710
              2 vec=    -5.396061     -0.362495      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00194546057407
                2s
                   +0 :              -0.05464990411533
                3s
                   +0 :               0.00072608837568
                2p
                   -1 :               0.00298439043927
                   +0 :              -0.00244705888436
                   +1 :               0.03921460069163
                3p
                   -1 :              -0.00281005794795
                   +0 :               0.00318288070935
                   +1 :               0.00250390950938
                3d
                   -2 :              -0.00004287086359
                   -1 :               0.00114052962585
                   +0 :               0.00166998779516
                   +1 :              -0.00060206471461
                   +2 :              -0.00312762843226
              3 vec=     2.384101     -4.854374      0.000000   |vec|=    5.408224
                1s
                   +0 :               0.00083962994030
                2s
                   +0 :               0.01663481328963
                3s
                   +0 :               0.00579302888008
                2p
                   -1 :              -0.01202061716460
                   +0 :              -0.00594589053619
                   +1 :               0.00034361630429
                3p
                   -1 :              -0.00895313653924
                   +0 :               0.00591748130497
                   +1 :               0.00278911189634
                3d
                   -2 :              -0.00142166129266
                   -1 :              -0.00040969171988
                   +0 :              -0.00113118770386
                   +1 :               0.00038618563723
                   +2 :              -0.00192948360803
              4 vec=    -5.396061      8.621263      0.000000   |vec|=   10.170726
                1s
                   +0 :               0.00023912221781
                2s
                   +0 :              -0.00309502773416
                3s
                   +0 :               0.00024927542816
                2p
                   -1 :              -0.00342950443603
                   +0 :               0.00039830640234
                   +1 :               0.00276948540831
                3p
                   -1 :               0.00059673892515
                   +0 :              -0.00018717120582
                   +1 :              -0.00067336378303
                3d
                   -2 :               0.00012123172096
                   -1 :               0.00003764577606
                   +0 :               0.00000046457097
                   +1 :               0.00000476723804
                   +2 :               0.00005761716700
              5 vec=    10.164264     -0.362495      0.000000   |vec|=   10.170726
                1s
                   +0 :              -0.00099411058026
                2s
                   +0 :               0.00868531306310
                3s
                   +0 :              -0.00208381678788
                2p
                   -1 :               0.00262585650891
                   +0 :               0.00021546243542
                   +1 :               0.00851534923325
                3p
                   -1 :              -0.00207864483927
                   +0 :              -0.00003840239691
                   +1 :              -0.00146629741202
                3d
                   -2 :              -0.00017912058789
                   -1 :              -0.00011583404996
                   +0 :              -0.00033338123141
                   +1 :               0.00016430053787
                   +2 :               0.00037648560924
              6 vec=    -5.396061     -9.346253      0.000000   |vec|=   10.792123
                1s
                   +0 :               0.00069271365883
                2s
                   +0 :              -0.00514922234194
                3s
                   +0 :               0.00192154574798
                2p
                   -1 :               0.00438003915632
                   +0 :               0.00125632721575
                   +1 :               0.00144440004330
                3p
                   -1 :              -0.00188270229152
                   +0 :              -0.00120148922860
                   +1 :              -0.00051817906330
                3d
                   -2 :               0.00003500990267
                   -1 :               0.00004401486950
                   +0 :              -0.00000466033971
                   +1 :               0.00006272582878
                   +2 :              -0.00002218039075
              7 vec=     2.384101     13.113142      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00001384764536
                2s
                   +0 :              -0.00021924557892
                3s
                   +0 :               0.00003238557925
                2p
                   -1 :              -0.00029875445192
                   +0 :               0.00005637041078
                   +1 :              -0.00019993776237
                3p
                   -1 :               0.00002846154193
                   +0 :              -0.00004429560742
                   +1 :              -0.00007873103710
                3d
                   -2 :              -0.00002401081715
                   -1 :               0.00000397057217
                   +0 :              -0.00000487457004
                   +1 :               0.00000313799581
                   +2 :               0.00003513291683
              8 vec=    10.164264      8.621263      0.000000   |vec|=   13.328107
                1s
                   +0 :               0.00001092393182
                2s
                   +0 :               0.00034674518462
                3s
                   +0 :               0.00013675612528
                2p
                   -1 :              -0.00012302515367
                   +0 :              -0.00001547251358
                   +1 :               0.00014427445978
                3p
                   -1 :               0.00009976797541
                   +0 :              -0.00000389088200
                   +1 :               0.00015457297453
                3d
                   -2 :              -0.00001070086421
                   -1 :               0.00000496884116
                   +0 :               0.00000479315236
                   +1 :               0.00000000534878
                   +2 :               0.00001512198939
              9 vec=   -13.176224      4.129384      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00000026860149
                2s
                   +0 :              -0.00035302674974
                3s
                   +0 :              -0.00008910709167
                2p
                   -1 :              -0.00009526849728
                   +0 :               0.00013858559097
                   +1 :               0.00025309946547
                3p
                   -1 :              -0.00024303920276
                   +0 :              -0.00011624583517
                   +1 :              -0.00001996449036
                3d
                   -2 :               0.00004118765894
                   -1 :               0.00000801411617
                   +0 :               0.00003376409755
                   +1 :              -0.00000200540672
                   +2 :               0.00004663335762
             10 vec=    10.164264     -9.346253      0.000000   |vec|=   13.808139
                1s
                   +0 :              -0.00005908115116
                2s
                   +0 :               0.00079931401701
                3s
                   +0 :              -0.00014864716766
                2p
                   -1 :              -0.00001726770059
                   +0 :               0.00005548846267
                   +1 :               0.00058186777044
                3p
                   -1 :              -0.00021606811792
                   +0 :              -0.00000515032414
                   +1 :              -0.00023184114788
                3d
                   -2 :              -0.00002383934148
                   -1 :              -0.00000151165316
                   +0 :              -0.00002390469175
                   +1 :               0.00001565317066
                   +2 :              -0.00003171677441
             11 vec=   -13.176224     -4.854374      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00009216845337
                2s
                   +0 :              -0.00097894564086
                3s
                   +0 :               0.00019322773758
                2p
                   -1 :               0.00079548850470
                   +0 :              -0.00020565155555
                   +1 :               0.00032483691272
                3p
                   -1 :              -0.00032733954910
                   +0 :               0.00016632908171
                   +1 :              -0.00018136672812
                3d
                   -2 :               0.00002172670977
                   -1 :               0.00000287512363
                   +0 :              -0.00001758702689
                   +1 :              -0.00000777608761
                   +2 :               0.00002557191776
             12 vec=     2.384101    -13.838132      0.000000   |vec|=   14.042002
                1s
                   +0 :               0.00005141667303
                2s
                   +0 :              -0.00042597054195
                3s
                   +0 :               0.00011636835920
                2p
                   -1 :               0.00037068025746
                   +0 :               0.00014049450541
                   +1 :              -0.00009420241755
                3p
                   -1 :              -0.00007121468018
                   +0 :              -0.00014319183284
                   +1 :              -0.00005508285265
                3d
                   -2 :               0.00001967526803
                   -1 :               0.00000938371711
                   +0 :              -0.00000052168089
                   +1 :              -0.00000472284679
                   +2 :               0.00001605413039
WF             site_B          number of pairs
WF( 59)=[O_18_2px]  to site O ( 30)  npairs=  19
              1 vec=     0.000000      0.000000      0.000000   |vec|=    0.000000
                1s
                   +0 :               0.00003761151894
                2s
                   +0 :              -0.00042145510938
                3s
                   +0 :              -0.00005098261986
                2p
                   -1 :               0.00009748403215
                   +0 :              -0.03013751735316
                   +1 :               0.88374972965826
                3p
                   -1 :              -0.00001862176994
                   +0 :               0.01073642218566
                   +1 :              -0.04526304466868
                3d
                   -2 :              -0.00254261138500
                   -1 :              -0.00316158968315
                   +0 :              -0.00006050738060
                   +1 :               0.00007578140737
                   +2 :              -0.00000487631254
              2 vec=    -7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00019167947621
                2s
                   +0 :              -0.00099442830171
                3s
                   +0 :               0.00030656362952
                2p
                   -1 :               0.00379017429519
                   +0 :              -0.00001286665899
                   +1 :              -0.00070052894499
                3p
                   -1 :              -0.00120057642492
                   +0 :              -0.00008934794454
                   +1 :               0.00057179216776
                3d
                   -2 :              -0.00018974760381
                   -1 :               0.00010640639181
                   +0 :              -0.00016143396388
                   +1 :              -0.00007076895069
                   +2 :               0.00001307144289
              3 vec=    -7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00034742517827
                2s
                   +0 :              -0.00181129065478
                3s
                   +0 :               0.00090667965476
                2p
                   -1 :              -0.00227282527592
                   +0 :              -0.00093537376754
                   +1 :              -0.00012212880283
                3p
                   -1 :               0.00150118615433
                   +0 :               0.00098396899334
                   +1 :               0.00017170812482
                3d
                   -2 :              -0.00020325054579
                   -1 :              -0.00001358818876
                   +0 :               0.00007776215013
                   +1 :              -0.00002254896923
                   +2 :               0.00001429395791
              4 vec=     0.000000     -8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00000249637327
                2s
                   +0 :              -0.00006067976147
                3s
                   +0 :               0.00000356935125
                2p
                   -1 :              -0.00001936047965
                   +0 :               0.00011096851333
                   +1 :              -0.00206627456618
                3p
                   -1 :               0.00003634865191
                   +0 :              -0.00017998025571
                   +1 :              -0.00112697498689
                3d
                   -2 :               0.00050086557692
                   -1 :              -0.00019062412191
                   +0 :              -0.00000844989734
                   +1 :              -0.00000016247074
                   +2 :               0.00000047559233
              5 vec=     0.000000      8.983758      0.000000   |vec|=    8.983758
                1s
                   +0 :               0.00001852130203
                2s
                   +0 :              -0.00012297928329
                3s
                   +0 :               0.00009010476665
                2p
                   -1 :              -0.00003566083495
                   +0 :               0.00047561798180
                   +1 :              -0.00447473582965
                3p
                   -1 :              -0.00000235923308
                   +0 :              -0.00044511919565
                   +1 :               0.00093746486087
                3d
                   -2 :              -0.00013620662524
                   -1 :              -0.00006435687038
                   +0 :               0.00000890988031
                   +1 :               0.00000602124925
                   +2 :               0.00000423706563
              6 vec=     7.780163     -4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00018542363885
                2s
                   +0 :               0.00091339165880
                3s
                   +0 :              -0.00032038320448
                2p
                   -1 :              -0.00385160436838
                   +0 :               0.00001377612550
                   +1 :              -0.00079048959805
                3p
                   -1 :               0.00128446340105
                   +0 :              -0.00004520906450
                   +1 :               0.00057173094378
                3d
                   -2 :              -0.00018140168148
                   -1 :               0.00010274262737
                   +0 :               0.00015154372699
                   +1 :               0.00008333777699
                   +2 :              -0.00001747988545
              7 vec=     7.780163      4.491879      0.000000   |vec|=    8.983758
                1s
                   +0 :              -0.00038581410060
                2s
                   +0 :               0.00209943212481
                3s
                   +0 :              -0.00097378055373
                2p
                   -1 :               0.00207832297448
                   +0 :              -0.00095294738926
                   +1 :               0.00011945220027
                3p
                   -1 :              -0.00131434179121
                   +0 :               0.00098471667151
                   +1 :               0.00006080219706
                3d
                   -2 :              -0.00019494837165
                   -1 :              -0.00001020734415
                   +0 :              -0.00007431293588
                   +1 :               0.00002661182342
                   +2 :              -0.00000519635675
              8 vec=   -15.560325     -0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00008559250019
                2s
                   +0 :              -0.00113047795452
                3s
                   +0 :               0.00011873794270
                2p
                   -1 :              -0.00030986427018
                   +0 :              -0.00015555674006
                   +1 :               0.00119461259809
                3p
                   -1 :               0.00012886509984
                   +0 :               0.00009956209032
                   +1 :              -0.00014436131874
                3d
                   -2 :               0.00000286899083
                   -1 :              -0.00000188556627
                   +0 :               0.00001854282684
                   +1 :              -0.00000512379097
                   +2 :              -0.00005302705359
              9 vec=    -7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00000600490837
                2s
                   +0 :              -0.00029222628250
                3s
                   +0 :              -0.00007258376932
                2p
                   -1 :               0.00067106275149
                   +0 :               0.00027163600330
                   +1 :               0.00023868803711
                3p
                   -1 :              -0.00022916337492
                   +0 :              -0.00026205208428
                   +1 :              -0.00006187174165
                3d
                   -2 :              -0.00001272841119
                   -1 :               0.00002264985022
                   +0 :              -0.00001990446112
                   +1 :               0.00002622912995
                   +2 :              -0.00002288651267
             10 vec=    -7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00003351745123
                2s
                   +0 :              -0.00048505378890
                3s
                   +0 :               0.00001545586103
                2p
                   -1 :              -0.00044206214490
                   +0 :              -0.00001552926910
                   +1 :               0.00011052745399
                3p
                   -1 :              -0.00001410952318
                   +0 :               0.00001521443653
                   +1 :               0.00006884779961
                3d
                   -2 :               0.00002877887084
                   -1 :               0.00000023077492
                   +0 :               0.00002237879642
                   +1 :               0.00001230732953
                   +2 :               0.00002282413860
             11 vec=     7.780163    -13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :               0.00000790076006
                2s
                   +0 :               0.00026370459015
                3s
                   +0 :               0.00006991152043
                2p
                   -1 :              -0.00064968974786
                   +0 :               0.00026705387093
                   +1 :               0.00023120795969
                3p
                   -1 :               0.00021952838864
                   +0 :              -0.00025167805477
                   +1 :              -0.00007203019667
                3d
                   -2 :              -0.00001276995622
                   -1 :               0.00001979072974
                   +0 :               0.00001709701828
                   +1 :              -0.00002517491782
                   +2 :               0.00002059312559
             12 vec=     7.780163     13.475637      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00004330486629
                2s
                   +0 :               0.00056219603712
                3s
                   +0 :              -0.00004120526065
                2p
                   -1 :               0.00044011256131
                   +0 :              -0.00003286232564
                   +1 :               0.00016393911253
                3p
                   -1 :               0.00001725666473
                   +0 :               0.00001594373187
                   +1 :               0.00004244829386
                3d
                   -2 :               0.00003078672069
                   -1 :              -0.00000039333946
                   +0 :              -0.00002196556992
                   +1 :              -0.00001446108813
                   +2 :              -0.00002164877273
             13 vec=    15.560325      0.000000      0.000000   |vec|=   15.560325
                1s
                   +0 :              -0.00007749315912
                2s
                   +0 :               0.00106568413419
                3s
                   +0 :              -0.00009684105123
                2p
                   -1 :               0.00032908016888
                   +0 :              -0.00016561494086
                   +1 :               0.00121909363703
                3p
                   -1 :              -0.00013155933095
                   +0 :               0.00009560035765
                   +1 :              -0.00016634975957
                3d
                   -2 :               0.00000291529450
                   -1 :               0.00000073556734
                   +0 :              -0.00001673162680
                   +1 :               0.00000614767292
                   +2 :               0.00005221263609
             14 vec=   -15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000250253924
                2s
                   +0 :              -0.00009005719696
                3s
                   +0 :              -0.00001288532198
                2p
                   -1 :               0.00005390505122
                   +0 :              -0.00005029963469
                   +1 :               0.00007031294814
                3p
                   -1 :               0.00002042910509
                   +0 :               0.00003626604287
                   +1 :               0.00002293875462
                3d
                   -2 :              -0.00000172555831
                   -1 :              -0.00000285344016
                   +0 :               0.00000293139030
                   +1 :              -0.00000140508855
                   +2 :               0.00000071737622
             15 vec=   -15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00002562865040
                2s
                   +0 :              -0.00024557481250
                3s
                   +0 :               0.00005925829437
                2p
                   -1 :              -0.00017522263954
                   +0 :               0.00004325620959
                   +1 :               0.00014870856125
                3p
                   -1 :               0.00007087152566
                   +0 :              -0.00004815047534
                   +1 :              -0.00003591129283
                3d
                   -2 :              -0.00000058216729
                   -1 :              -0.00000113033526
                   +0 :               0.00000266577203
                   +1 :               0.00000605533776
                   +2 :              -0.00000108438686
             16 vec=     0.000000    -17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :               0.00000114437306
                2s
                   +0 :              -0.00000895885446
                3s
                   +0 :               0.00000282267934
                2p
                   -1 :               0.00001762811899
                   +0 :               0.00002273756049
                   +1 :               0.00003940740833
                3p
                   -1 :              -0.00001147290734
                   +0 :              -0.00001232754512
                   +1 :              -0.00000862506033
                3d
                   -2 :              -0.00000315769377
                   -1 :               0.00000465762250
                   +0 :               0.00000019439619
                   +1 :               0.00000097156453
                   +2 :              -0.00000093833106
             17 vec=     0.000000     17.967516      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000536119025
                2s
                   +0 :               0.00004840493539
                3s
                   +0 :              -0.00001174228235
                2p
                   -1 :               0.00000684212791
                   +0 :              -0.00000386112614
                   +1 :               0.00001687310527
                3p
                   -1 :               0.00000071917327
                   +0 :               0.00000223937036
                   +1 :               0.00001607811833
                3d
                   -2 :               0.00000641499388
                   -1 :               0.00000034748880
                   +0 :               0.00000076984506
                   +1 :               0.00000024633409
                   +2 :              -0.00000038040499
             18 vec=    15.560325     -8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00000949978956
                2s
                   +0 :               0.00013602684502
                3s
                   +0 :              -0.00000970747374
                2p
                   -1 :              -0.00008629931165
                   +0 :              -0.00006007969346
                   +1 :               0.00008911396850
                3p
                   -1 :               0.00000889377116
                   +0 :               0.00004647112225
                   +1 :               0.00000923413947
                3d
                   -2 :              -0.00000039644784
                   -1 :              -0.00000583253251
                   +0 :              -0.00000310329008
                   +1 :               0.00000261903955
                   +2 :               0.00000061841505
             19 vec=    15.560325      8.983758      0.000000   |vec|=   17.967516
                1s
                   +0 :              -0.00001982566591
                2s
                   +0 :               0.00019579361691
                3s
                   +0 :              -0.00004530519025
                2p
                   -1 :               0.00017610051163
                   +0 :               0.00000750686227
                   +1 :               0.00012764957553
                3p
                   -1 :              -0.00007074444421
                   +0 :              -0.00002779841561
                   +1 :              -0.00001936395101
                3d
                   -2 :               0.00000016398729
                   -1 :               0.00000061154367
                   +0 :              -0.00000303830489
                   +1 :              -0.00000590369132
                   +2 :               0.00000073915159
